# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-06T00:36:20+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (year = 2013 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1508819","11.6146","0.0008","7.7855","0.0005","35.607","0.002","90","","90","","90","","3219.8","0.4","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H19 Cl N4 O4 -","- C15 H19 Cl N4 O4 -","- C120 H152 Cl8 N32 O32 -","8","2","","Ye, Zhenjun; Shi, Lina; Shao, Xusheng; Xu, Xiaoyong; Xu, Zhiping; Li, Zhong","Pyrrole- and dihydropyrrole-fused neonicotinoids: design, synthesis, and insecticidal evaluation.","Journal of agricultural and food chemistry","2013","61","2","312","319","10.1021/jf3044132","","","0.71073","MoKα","","0.062","0.0457","","","0.1097","0.1213","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508820","8.2185","0.0003","10.0375","0.0004","12.4165","0.0005","67.002","0.003","71.136","0.002","84.577","0.003","891.63","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(OC-6-33)-Dichlorido(ethane-1,2-diamine)bis{(4-methoxy)-4- oxobutanoato}platinum(IV)","","- C12 H22 Cl2 N2 O8 Pt -","- C12 H22 Cl2 N2 O8 Pt -","- C24 H44 Cl4 N4 O16 Pt2 -","2","1","","Varbanov, Hristo P.; Jakupec, Michael A.; Roller, Alexander; Jensen, Frank; Galanski, Markus; Keppler, Bernhard K.","Theoretical Investigations and Density Functional Theory Based Quantitative Structure-Activity Relationships Model for Novel Cytotoxic Platinum(IV) Complexes.","Journal of medicinal chemistry","2013","56","1","330","344","10.1021/jm3016427","","","0.71073","MoKα","","0.0279","0.0234","","","0.0473","0.0486","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508821","6.95","0.005","7.4","0.005","17.571","0.012","92.119","0.012","96.424","0.013","90.191","0.011","897.4","1.1","183","2","183","2","","","","","","","","2","P 1","P 1","1","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","2","","Sonoda, Yoriko; Shimoi, Yukihiro; Goto, Midori; Tohnai, Norimitsu; Kanesato, Masatoshi","Fluorescence Properties of (E,E,E)-1,6-Di(n-naphthyl)-1,3,5-hexatriene (n = 1, 2): Effects of Internal Rotation.","The journal of physical chemistry. A","2013","117","3","566","578","10.1021/jp306103a","","","0.71069","MoKα","","0.1226","0.0828","","","0.1965","0.2195","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508822","6.556","0.0014","7.272","0.0015","18.452","0.004","90","","90.519","0.004","90","","879.7","0.3","183","2","183","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H20 -","- C26 H20 -","- C52 H40 -","2","1","","Sonoda, Yoriko; Shimoi, Yukihiro; Goto, Midori; Tohnai, Norimitsu; Kanesato, Masatoshi","Fluorescence Properties of (E,E,E)-1,6-Di(n-naphthyl)-1,3,5-hexatriene (n = 1, 2): Effects of Internal Rotation.","The journal of physical chemistry. A","2013","117","3","566","578","10.1021/jp306103a","","","0.71073","MoKα","","0.0563","0.0483","","","0.121","0.1302","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508823","18.3993","0.0003","8.58214","0.00016","27.5862","0.0019","90","","106.182","0.008","90","","4183.4","0.3","123.1","","123.1","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H53 N O7 Pt -","- C48 H53 N O7 Pt -","- C192 H212 N4 O28 Pt4 -","4","1","","Shigehiro, Tatsuya; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Sakurai, Yoshiaki","Photo- and Electroluminescence from 2-(Dibenzo[b,d]furan-4-yl)pyridine-Based Heteroleptic Cyclometalated Platinum(II) Complexes: Excimer Formation Drastically Facilitated by an Aromatic Diketonate Ancillary Ligand","The Journal of Physical Chemistry C","2013","117","1","532","","10.1021/jp307853t","","","1.54187","CuKα","","","0.0249","","","","0.0527","","","","","","1.164","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508824","8.8407","0.0004","17.8439","0.0009","31.9076","0.0015","90","","92.0189","0.0015","90","","5030.4","0.4","296.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N O3 Pt -","- C28 H29 N O3 Pt -","- C224 H232 N8 O24 Pt8 -","8","2","","Shigehiro, Tatsuya; Yagi, Shigeyuki; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki; Sakurai, Yoshiaki","Photo- and Electroluminescence from 2-(Dibenzo[b,d]furan-4-yl)pyridine-Based Heteroleptic Cyclometalated Platinum(II) Complexes: Excimer Formation Drastically Facilitated by an Aromatic Diketonate Ancillary Ligand","The Journal of Physical Chemistry C","2013","117","1","532","","10.1021/jp307853t","","","0.71075","MoKα","","","0.0691","","","","0.0679","","","","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508825","8.2591","0.0001","12.7538","0.0002","14.1802","0.0002","90","","105.367","0.002","90","","1440.27","0.04","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 B Br F2 N O -","- C17 H11 B Br F2 N O -","- C68 H44 B4 Br4 F8 N4 O4 -","4","1","","Zakrzewska, Anna; Kolehmainen, Erkki; Valkonen, Arto; Haapaniemi, Esa; Rissanen, Kari; Chęcińska, Lilianna; Ośmiałowski, Borys","Substituent Effect in 2-Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X-ray Diffraction, and Computational Study.","The journal of physical chemistry. A","2013","117","1","252","256","10.1021/jp311072q","","","1.54184","CuKα","","0.0275","0.0256","","","0.0693","0.071","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508826","8.3324","0.0001","12.3542","0.0002","14.6062","0.0002","90","","103.868","0.002","90","","1459.74","0.04","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H14 B F2 N O2 -","- C18 H14 B F2 N O2 -","- C72 H56 B4 F8 N4 O8 -","4","2","","Zakrzewska, Anna; Kolehmainen, Erkki; Valkonen, Arto; Haapaniemi, Esa; Rissanen, Kari; Chęcińska, Lilianna; Ośmiałowski, Borys","Substituent Effect in 2-Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X-ray Diffraction, and Computational Study.","The journal of physical chemistry. A","2013","117","1","252","256","10.1021/jp311072q","","","1.54184","CuKα","","0.03","0.0292","","","0.0806","0.0821","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508827","8.2951","0.0002","12.8843","0.0002","13.5914","0.0003","90","","103.305","0.002","90","","1413.61","0.05","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 B F2 N O -","- C18 H14 B F2 N O -","- C72 H56 B4 F8 N4 O4 -","4","1","","Zakrzewska, Anna; Kolehmainen, Erkki; Valkonen, Arto; Haapaniemi, Esa; Rissanen, Kari; Chęcińska, Lilianna; Ośmiałowski, Borys","Substituent Effect in 2-Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X-ray Diffraction, and Computational Study.","The journal of physical chemistry. A","2013","117","1","252","256","10.1021/jp311072q","","","1.54184","CuKα","","0.0384","0.0348","","","0.0988","0.103","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508828","7.7839","0.0005","8.172","0.0004","12.735","0.0007","77.081","0.004","80.031","0.005","76.88","0.005","762.54","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 B F5 N O -","- C18 H11 B F5 N O -","- C36 H22 B2 F10 N2 O2 -","2","1","","Zakrzewska, Anna; Kolehmainen, Erkki; Valkonen, Arto; Haapaniemi, Esa; Rissanen, Kari; Chęcińska, Lilianna; Ośmiałowski, Borys","Substituent Effect in 2-Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X-ray Diffraction, and Computational Study.","The journal of physical chemistry. A","2013","117","1","252","256","10.1021/jp311072q","","","1.54184","CuKα","","0.0398","0.0358","","","0.0978","0.1018","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508829","7.1119","0.0001","14.2344","0.0004","14.2595","0.0004","90","","100.811","0.002","90","","1417.92","0.06","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 B F2 N O -","- C18 H14 B F2 N O -","- C72 H56 B4 F8 N4 O4 -","4","1","","Zakrzewska, Anna; Kolehmainen, Erkki; Valkonen, Arto; Haapaniemi, Esa; Rissanen, Kari; Chęcińska, Lilianna; Ośmiałowski, Borys","Substituent Effect in 2-Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X-ray Diffraction, and Computational Study.","The journal of physical chemistry. A","2013","117","1","252","256","10.1021/jp311072q","","","1.54184","CuKα","","0.0663","0.0622","","","0.1668","0.1699","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508830","7.67122","0.00013","11.9542","0.0002","14.336","0.0003","90","","95.657","0.007","90","","1308.26","0.04","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 B F2 N O -","- C17 H12 B F2 N O -","- C68 H48 B4 F8 N4 O4 -","4","1","","Zakrzewska, Anna; Kolehmainen, Erkki; Valkonen, Arto; Haapaniemi, Esa; Rissanen, Kari; Chęcińska, Lilianna; Ośmiałowski, Borys","Substituent Effect in 2-Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X-ray Diffraction, and Computational Study.","The journal of physical chemistry. A","2013","117","1","252","256","10.1021/jp311072q","","","1.54184","CuKα","","0.0381","0.0349","","","0.094","0.0979","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508831","4.7147","0.0005","9.9033","0.001","17.3871","0.0019","101.436","0.006","95.574","0.007","97.222","0.007","783.15","0.15","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C14 H9 N O3 -","- C14 H9 N O3 -","- C28 H18 N2 O6 -","2","1","","Fourati, M. Amine; Skene, W. G.; Bazuin, C Géraldine; Prud'homme, Robert E.","Photophysical and Electrochemical Investigations of the Fluorescent Probe, 4,4'-Bis(2-benzoxazolyl)stilbene.","The journal of physical chemistry. A","2013","117","5","836","844","10.1021/jp312598c","","","1.54178","CuKα","","0.1019","0.0835","","","0.2256","0.2384","","","","","","0.982","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508832","21.4407","0.0004","21.4407","0.0004","15.4535","0.0003","90","","90","","90","","7104","0.2","120","2","120","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C56 H120 O12 Si8 -","- C56 H120 O12 Si8 -","- C224 H480 O48 Si32 -","4","0.5","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Stephenson, Richard A.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William","X-ray Crystal Structures, Packing Behavior, and Thermal Stability Studies of a Homologous Series ofn-Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes","Macromolecules","2013","46","3","988","","10.1021/ma302229v","","","0.71073","MoKα","","0.0981","0.0519","","","0.0973","0.1173","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508833","8.5414","0.001","8.9275","0.0012","23.11","0.003","84.579","0.006","87.068","0.007","89.294","0.008","1752","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H120 O12 Si8 -","- C56 H120 O12 Si8 -","- C56 H120 O12 Si8 -","1","0.5","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Stephenson, Richard A.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William","X-ray Crystal Structures, Packing Behavior, and Thermal Stability Studies of a Homologous Series ofn-Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes","Macromolecules","2013","46","3","988","","10.1021/ma302229v","","","0.71073","MoKα","","0.2561","0.1423","","","0.1688","0.2052","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508834","9.5947","0.0009","9.6312","0.0008","13.6739","0.0013","75.877","0.006","80.373","0.004","80.569","0.005","1198.09","0.19","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H72 O12 Si8 -","- C32 H72 O12 Si8 -","- C32 H72 O12 Si8 -","1","0.5","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Stephenson, Richard A.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William","X-ray Crystal Structures, Packing Behavior, and Thermal Stability Studies of a Homologous Series ofn-Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes","Macromolecules","2013","46","3","988","","10.1021/ma302229v","","","0.71073","MoKα","","0.1123","0.0599","","","0.1185","0.1372","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508835","26.4815","0.0005","26.4815","0.0005","15.6221","0.0005","90","","90","","90","","10955.3","0.5","120","2","120","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C40 H88 O12 Si8 -","- C40 H88 O12 Si8 -","- C320 H704 O96 Si64 -","8","1","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Stephenson, Richard A.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William","X-ray Crystal Structures, Packing Behavior, and Thermal Stability Studies of a Homologous Series ofn-Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes","Macromolecules","2013","46","3","988","","10.1021/ma302229v","","","0.71073","MoKα","","0.1519","0.0898","","","0.1982","0.239","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508836","8.5348","0.0002","9.1768","0.0003","25.1451","0.0009","85.506","0.001","84.329","0.002","87.938","0.002","1952.96","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H136 O12 Si8 -","- C64 H136 O12 Si8 -","- C64 H136 O12 Si8 -","1","0.5","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Stephenson, Richard A.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William","X-ray Crystal Structures, Packing Behavior, and Thermal Stability Studies of a Homologous Series ofn-Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes","Macromolecules","2013","46","3","988","","10.1021/ma302229v","","","0.71073","MoKα","","0.088","0.0698","","","0.1884","0.201","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508837","8.554","0.005","9.232","0.005","30.97","0.018","97.556","0.006","93.843","0.006","97.615","0.006","2394","2","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H168 O12 Si8 -","- C80 H168 O12 Si8 -","- C80 H168 O12 Si8 -","1","0.5","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Stephenson, Richard A.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William","X-ray Crystal Structures, Packing Behavior, and Thermal Stability Studies of a Homologous Series ofn-Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes","Macromolecules","2013","46","3","988","","10.1021/ma302229v","","","0.6946","synchrotron","","0.1054","0.0773","","","0.2182","0.2419","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508838","8.664","0.004","9.475","0.004","20.486","0.008","78.122","0.004","80.489","0.004","85.953","0.004","1621.9","1.2","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H104 O12 Si8 -","- C48 H104 O12 Si8 -","- C48 H104 O12 Si8 -","1","0.5","","El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Stephenson, Richard A.; Hursthouse, Michael B.; Harrington, Ross W.; Clegg, William","X-ray Crystal Structures, Packing Behavior, and Thermal Stability Studies of a Homologous Series ofn-Alkyl-Substituted Polyhedral Oligomeric Silsesquioxanes","Macromolecules","2013","46","3","988","","10.1021/ma302229v","","","0.6946","synchrotron","","0.0964","0.0602","","","0.1611","0.1865","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508839","9.8904","0.0001","10.0215","0.0001","15.205","0.0002","90","","90","","90","","1507.07","0.03","155","","155","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O5 -","- C15 H22 O5 -","- C60 H88 O20 -","4","1","","Wang, Shao-Juan; Bao, Li; Han, Jun-Jie; Wang, Quan-Xin; Yang, Xiao-Li; Wen, Hua-An; Guo, Liang-Dong; Li, Shao-Jie; Zhao, Feng; Liu, Hong-Wei","Pleurospiroketals A-E, Perhydrobenzannulated 5,5-Spiroketal Sesquiterpenes from the Edible Mushroom Pleurotus cornucopiae.","Journal of natural products","2013","76","1","45","50","10.1021/np3006524","","","1.5418","CuKα","","0.0331","0.0319","","","0.0812","0.0823","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508840","9.965","0.002","5.5627","0.0011","13.216","0.003","90","","106.53","0.03","90","","702.3","0.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C30 H52 O6 -","2","1","","Luo, Ji; Liu, Xiangyu; Li, Erwei; Guo, Liangdong; Che, Yongsheng","Arundinols A-C and Arundinones A and B from the Plant Endophytic Fungus Microsphaeropsis arundinis.","Journal of natural products","2013","76","1","107","112","10.1021/np300806a","","","1.54178","CuKα","","0.0376","0.0361","","","0.0902","0.091","","","","","","1.098","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508841","11.406","0.002","5.8201","0.0012","15.187","0.003","90","","95.53","0.03","90","","1003.5","0.3","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 -","- C26 H24 -","- C52 H48 -","2","0.5","","Jiang, Huanfeng; Gao, Yang; Wu, Wanqing; Huang, Yubing","Pd(II)-Catalyzed Highly Regio- and Stereoselective Assembly of C-C Double Bonds: An Efficient Method for the Synthesis of 2,4-Dihalo-1,3,5-trienes from Alkynols.","Organic letters","2013","15","2","238","241","10.1021/ol302730x","","","0.71073","MoKα","","0.1376","0.0529","","","0.1268","0.1767","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508842","6.1191","0.0016","12.656","0.003","18.088","0.005","90","","90","","90","","1400.8","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O -","- C17 H14 Br N O -","- C68 H56 Br4 N4 O4 -","4","1","","Cao, Zhong-Yan; Zhou, Feng; Yu, Yi-Hua; Zhou, Jian","A Highly Diastereo- and Enantioselective Hg(II)-Catalyzed Cyclopropanation of Diazooxindoles and Alkenes.","Organic letters","2013","15","1","42","45","10.1021/ol302998m","","","0.71073","MoKα","","0.0384","0.028","","","0.0574","0.0609","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508843","7.6187","0.0002","15.2421","0.0003","8.3982","0.0006","90","","99.42","0.007","90","","962.09","0.08","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H31 N O2 -","- C22 H31 N O2 -","- C44 H62 N2 O4 -","2","1","","Martin, Rhia M.; Bergman, Robert G.; Ellman, Jonathan A.","Synthesis of Isoquinuclidines from Highly Substituted Dihydropyridines via the Diels-Alder Reaction.","Organic letters","2013","15","3","444","447","10.1021/ol303040r","","","1.54187","CuKα","","0.0265","0.0261","","","0.0636","0.0642","","","","","","0.981","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508844","15.5908","0.0004","12.0381","0.0003","7.2191","0.0002","90","","99.952","0.002","90","","1334.52","0.06","173.15","","173","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Song, Liyan; Yao, Hongliang; Zhu, Liangyu; Tong, Rongbiao","Asymmetric Total Syntheses of (-)-Penicipyrone and (-)-Tenuipyrone via Biomimetic Cascade Intermolecular Michael Addition/Cycloketalization.","Organic letters","2013","15","1","6","9","10.1021/ol303071t","","x-ray","1.5418","CuKα","","0.035","0.0329","","","0.0863","0.0881","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508845","10.6914","0.0002","9.8462","0.0002","11.5299","0.0002","90","","110.216","0.002","90","","1138.98","0.04","173","0.14","173","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Song, Liyan; Yao, Hongliang; Zhu, Liangyu; Tong, Rongbiao","Asymmetric Total Syntheses of (-)-Penicipyrone and (-)-Tenuipyrone via Biomimetic Cascade Intermolecular Michael Addition/Cycloketalization.","Organic letters","2013","15","1","6","9","10.1021/ol303071t","","x-ray","1.5418","CuKα","","0.0359","0.0337","","","0.0899","0.0925","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508846","12.8975","0.0007","14.6754","0.0008","16.4298","0.0009","90","","90","","90","","3109.8","0.3","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2a in manuscript","","","- C12.5 H20 Cl2 Ir N O2 -","- C12.5 H20 Cl2 Ir N O2 -","- C100 H160 Cl16 Ir8 N8 O16 -","8","2","","Wetzel, Alexander; Wöckel, Simone; Schelwies, Mathias; Brinks, Marion K.; Rominger, Frank; Hofmann, Peter; Limbach, Michael","Selective Alkylation of Amines with Alcohols by Cp*-Iridium(III) Half-Sandwich Complexes.","Organic letters","2013","15","2","266","269","10.1021/ol303075h","","","0.71073","MoKα","","0.0193","0.0169","","","0.0341","0.0347","","","","","","1.048","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508847","6.7576","0.0003","9.8259","0.0006","13.085","0.0011","92.213","0.006","97.254","0.005","92.098","0.005","860.49","0.1","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C36 H46 N2 O6 -","2","1","","Wang, Gang; Liu, Xiaohua; Huang, Tianyu; Kuang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric catalytic 1,3-dipolar cycloaddition reaction of nitrile imines for the synthesis of chiral spiro-pyrazoline-oxindoles.","Organic letters","2013","15","1","76","79","10.1021/ol303097j","","","0.7107","MoKα","","0.0669","0.0458","","","0.1071","0.1205","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508848","12.016","0.0012","18.7857","0.0019","12.339","0.0012","90","","97.777","0.007","90","","2759.7","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H29 N3 O3 -","- C33 H29 N3 O3 -","- C132 H116 N12 O12 -","4","2","","Wang, Gang; Liu, Xiaohua; Huang, Tianyu; Kuang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric catalytic 1,3-dipolar cycloaddition reaction of nitrile imines for the synthesis of chiral spiro-pyrazoline-oxindoles.","Organic letters","2013","15","1","76","79","10.1021/ol303097j","","","1.54186","CuKα","","0.048","0.0446","","","0.0921","0.0963","","","","","","1.177","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508849","9.0374","0.0003","15.0633","0.0006","19.6158","0.0011","90","","90","","90","","2670.4","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 N3 O3 S -","- C29 H31 N3 O3 S -","- C116 H124 N12 O12 S4 -","4","1","","Wang, Gang; Liu, Xiaohua; Huang, Tianyu; Kuang, Yulong; Lin, Lili; Feng, Xiaoming","Asymmetric catalytic 1,3-dipolar cycloaddition reaction of nitrile imines for the synthesis of chiral spiro-pyrazoline-oxindoles.","Organic letters","2013","15","1","76","79","10.1021/ol303097j","","","0.7107","MoKα","","0.0925","0.0508","","","0.0761","0.0871","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508850","14.45","0.003","16.149","0.003","16.146","0.004","90","","110.285","0.0009","90","","3534","1.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 S4 Si2 -","- C36 H48 S4 Si2 -","- C144 H192 S16 Si8 -","4","1","","Dou, Chuandong; Saito, Shohei; Gao, Libin; Matsumoto, Naoki; Karasawa, Takashi; Zhang, Hongyu; Fukazawa, Aiko; Yamaguchi, Shigehiro","Sequential Electrophilic and Photochemical Cyclizations from Bis(bithienyl)acetylene to a Tetrathienonaphthalene Core.","Organic letters","2013","15","1","80","83","10.1021/ol303107y","","","0.7107","MoKα","","0.0798","0.0679","","","0.2065","0.2202","","","","","","1.159","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508851","7.5456","0.0011","12.1175","0.0017","19.49","0.003","80.956","0.004","88.114","0.004","87.511","0.004","1757.6","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H48 S4 Si2 -","- C36 H48 S4 Si2 -","- C72 H96 S8 Si4 -","2","1","","Dou, Chuandong; Saito, Shohei; Gao, Libin; Matsumoto, Naoki; Karasawa, Takashi; Zhang, Hongyu; Fukazawa, Aiko; Yamaguchi, Shigehiro","Sequential Electrophilic and Photochemical Cyclizations from Bis(bithienyl)acetylene to a Tetrathienonaphthalene Core.","Organic letters","2013","15","1","80","83","10.1021/ol303107y","","","0.7107","MoKα","","0.0387","0.0323","","","0.0781","0.082","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508852","8.5863","0.0013","12.175","0.0018","18.897","0.003","92.036","0.002","96.456","0.002","98.521","0.003","1938.5","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H49 I S4 Si2 -","- C36 H49 I S4 Si2 -","- C72 H98 I2 S8 Si4 -","2","1","","Dou, Chuandong; Saito, Shohei; Gao, Libin; Matsumoto, Naoki; Karasawa, Takashi; Zhang, Hongyu; Fukazawa, Aiko; Yamaguchi, Shigehiro","Sequential Electrophilic and Photochemical Cyclizations from Bis(bithienyl)acetylene to a Tetrathienonaphthalene Core.","Organic letters","2013","15","1","80","83","10.1021/ol303107y","","","0.7107","MoKα","","0.027","0.0255","","","0.062","0.0632","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508853","11.2017","0.0006","12.1697","0.0006","15.1195","0.0007","85.32","0.004","82.624","0.004","72.927","0.004","1951.88","0.17","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H30 F6 S -","- C52 H30 F6 S -","- C104 H60 F12 S2 -","2","1","","Li, Jing; Huang, Huanan; Liang, Weihong; Gao, Qun; Duan, Zheng","Catalytic C-h and C-s bond activation of thiophenes.","Organic letters","2013","15","2","282","285","10.1021/ol303136x","","","1.5418","CuKα","","0.0508","0.0436","","","0.1181","0.1253","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508854","10.4792","0.0008","13.4657","0.0011","20.0797","0.0014","70.764","0.007","77.704","0.006","82.037","0.007","2606.7","0.4","291","2","291.15","","","","","","","","","3","P -1","-P 1","2","","","","- C69 H52 S -","- C69 H52 S -","- C138 H104 S2 -","2","1","","Li, Jing; Huang, Huanan; Liang, Weihong; Gao, Qun; Duan, Zheng","Catalytic C-h and C-s bond activation of thiophenes.","Organic letters","2013","15","2","282","285","10.1021/ol303136x","","","1.5418","CuKα","","0.0778","0.0523","","","0.1359","0.1573","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508855","9.3242","0.0002","20.5863","0.0004","20.4716","0.0004","90","","92.4025","0.0019","90","","3926.09","0.14","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H35 F4 S -","- C44 H35 F4 S -","- C176 H140 F16 S4 -","4","1","","Li, Jing; Huang, Huanan; Liang, Weihong; Gao, Qun; Duan, Zheng","Catalytic C-h and C-s bond activation of thiophenes.","Organic letters","2013","15","2","282","285","10.1021/ol303136x","","","1.5418","CuKα","","0.092","0.0777","","","0.2294","0.2507","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508856","16.0668","0.0017","16.7268","0.0011","18.1635","0.0008","96.294","0.005","99.037","0.006","108.324","0.008","4510","0.7","291","2","291.15","","","","","","","","","3","P -1","-P 1","2","","","","- C213 H201 S4 -","- C213 H152 S4 -","- C213 H152 S4 -","1","0.5","","Li, Jing; Huang, Huanan; Liang, Weihong; Gao, Qun; Duan, Zheng","Catalytic C-h and C-s bond activation of thiophenes.","Organic letters","2013","15","2","282","285","10.1021/ol303136x","","","1.5418","CuKα","","0.1133","0.0741","","","0.2022","0.2454","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508857","8.3771","0.0001","10.29","0.0002","31.168","0.0004","90","","90","","90","","2686.69","0.07","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H29 Cl N2 O3 -","- C32 H29 Cl N2 O3 -","- C128 H116 Cl4 N8 O12 -","4","1","","Shi, Feng; Xing, Gui-Juan; Zhu, Ren-Yi; Tan, Wei; Tu, Shujiang","A Catalytic Asymmetric Isatin-Involved Povarov Reaction: Diastereo- and Enantioselective Construction of Spiro[indolin-3,2'-quinoline] Scaffold.","Organic letters","2013","15","1","128","131","10.1021/ol303154k","","","1.54184","CuKα","","0.0336","0.0306","","","0.0882","0.0904","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508858","12.652","0.002","5.3373","0.0009","17.942","0.003","90","","109.082","0.003","90","","1145","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C56 H50 N2 O8 -","2","1","","Wu, Hua; He, Yu-Ping; Gong, Liu-Zhu","Direct Access to Enantioenriched Spiroacetals through Asymmetric Relay Catalytic Three-Component Reaction.","Organic letters","2013","15","3","460","463","10.1021/ol303188u","","","0.71073","MoKα","","0.0472","0.042","","","0.1112","0.1156","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508859","6.9397","0.0007","8.8694","0.001","11.1168","0.0012","97.572","0.002","94.165","0.002","92.775","0.002","675.33","0.13","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1-(5,6-dimethoxy-3-methyl-1H-indol-2-yl)-2-methylpropan-1-one","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C30 H38 N2 O6 -","2","1","","Reddy, B. V. Subba; Reddy, M. Ramana; Rao, Y. Gopal; Yadav, J. S.; Sridhar, B.","Cu(OTf)(2)-Catalyzed Synthesis of 2,3-Disubstituted Indoles and 2,4,5-Trisubstituted Pyrroles from α-Diazoketones.","Organic letters","2013","15","3","464","467","10.1021/ol303206w","","","0.71073","MoKα","","0.0454","0.041","","","0.1127","0.1165","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508860","11.7298","0.0008","9.2723","0.0006","11.8853","0.0008","90","","103.883","0.001","90","","1254.91","0.15","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl 2-methyl-5-phenyl-1H-pyrrole-3-carboxylate","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Reddy, B. V. Subba; Reddy, M. Ramana; Rao, Y. Gopal; Yadav, J. S.; Sridhar, B.","Cu(OTf)(2)-Catalyzed Synthesis of 2,3-Disubstituted Indoles and 2,4,5-Trisubstituted Pyrroles from α-Diazoketones.","Organic letters","2013","15","3","464","467","10.1021/ol303206w","","","0.71073","MoKα","","0.0463","0.0396","","","0.1124","0.1193","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508861","13.046","0.003","18.896","0.004","21.809","0.006","90","","91.007","0.004","90","","5375","2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 N4 -","- C34 H32 N4 -","- C272 H256 N32 -","8","2","","Chandra, Brijesh; Mahanta, Sanjeev P.; Pati, Narendra N.; Baskaran, Sambath; Kanaparthi, Ravi K.; Sivasankar, Chinnappan; Panda, Pradeepta K.","Calix[2]bispyrrolylarenes: New Expanded Calix[4]pyrroles for Fluorometric Sensing of Anions via Extended π-Conjugation.","Organic letters","2013","15","2","306","309","10.1021/ol3032158","","","0.71073","MoKα","","0.3897","0.1356","","","0.2981","0.4181","","","","","","0.974","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508862","7.6144","0.0004","7.5543","0.0003","29.9948","0.0014","90","","91.624","0.004","90","","1724.65","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H16 N2 -","- C24 H16 N2 -","- C96 H64 N8 -","4","2","","Louillat, Marie-Laure; Patureau, Frederic W.","Toward polynuclear ru-cu catalytic dehydrogenative C-N bond formation, on the reactivity of carbazoles.","Organic letters","2013","15","1","164","167","10.1021/ol303216u","","","1.54184","CuKα","","0.0514","0.0454","","","0.1162","0.1271","","","","","","1.083","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508863","9.2295","0.0003","10.3951","0.0004","11.3783","0.0005","86.591","0.002","69.851","0.002","79.622","0.002","1008.07","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C48 H48 O8 -","2","1","","Qin, Changming; Davies, Huw M. L.","Enantioselective Synthesis of 2-Arylbicyclo[1.1.0]butane Carboxylates.","Organic letters","2013","15","2","310","313","10.1021/ol303217s","","","1.54178","CuKα","","0.1686","0.1114","","","0.2482","0.3947","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508864","21.033","0.003","9.9868","0.0013","10.2026","0.0013","90","","102.928","0.002","90","","2088.8","0.5","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H25 N3 O3 -","- C25 H25 N3 O3 -","- C100 H100 N12 O12 -","4","1","","Hong, Bor-Cherng; Liao, Wei-Kai; Dange, Nitin S.; Liao, Ju-Hsiou","One-pot organocatalytic enantioselective domino double-Michael reaction and pictet-spengler-lactamization reaction. A facile entry to the ""inside yohimbane"" system with five contiguous stereogenic centers.","Organic letters","2013","15","3","468","471","10.1021/ol3032329","","","0.71073","MoKα","","0.0539","0.0429","","","0.1125","0.1335","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508865","8.1146","0.0008","9.2164","0.0009","35.493","0.004","90","","90","","90","","2654.4","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl N3 O3 -","- C25 H24 Cl N3 O3 -","- C100 H96 Cl4 N12 O12 -","4","1","","Hong, Bor-Cherng; Liao, Wei-Kai; Dange, Nitin S.; Liao, Ju-Hsiou","One-pot organocatalytic enantioselective domino double-Michael reaction and pictet-spengler-lactamization reaction. A facile entry to the ""inside yohimbane"" system with five contiguous stereogenic centers.","Organic letters","2013","15","3","468","471","10.1021/ol3032329","","","0.71073","MoKα","","0.0646","0.0526","","","0.1434","0.1487","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508866","9.4219","0.0002","8.6467","0.0002","18.7345","0.0013","90","","103.222","0.007","90","","1485.81","0.12","150","0.2","150","0.2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H18 F6 N2 O2 -","- C12 H18 F6 N2 O2 -","- C48 H72 F24 N8 O8 -","4","1","","Riofski, Mark V.; Hart, Allison D.; Colby, David A.","Amidinate salt of hexafluoroacetone hydrate for the preparation of fluorinated compounds by the release of trifluoroacetate.","Organic letters","2013","15","1","208","211","10.1021/ol303291x","","","1.54184","CU-Kα","","0.073","0.047","","","0.107","0.153","","","","","","1.166","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1508867","13.871","0.003","11.664","0.002","15.1202","0.0012","90","","92.72","0.006","90","","2443.6","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cl N O6 -","- C25 H28 Cl N O6 -","- C100 H112 Cl4 N4 O24 -","4","1","","Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L.","Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals.","Organic letters","2013","15","2","350","353","10.1021/ol303292c","","","0.71073","MoKα","","0.0582","0.0419","","","0.107","0.1202","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508868","9.4038","0.0004","10.7199","0.0005","24.4225","0.0011","90","","99.093","0.001","90","","2431.04","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 N O6 -","- C29 H29 N O6 -","- C116 H116 N4 O24 -","4","1","","Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L.","Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals.","Organic letters","2013","15","2","350","353","10.1021/ol303292c","","","0.71073","MoKα","","0.0631","0.045","","","0.1115","0.1231","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508869","11.3123","0.0005","13.5731","0.0007","16.6509","0.0008","78.645","0.001","73.569","0.001","86.82","0.001","2404.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N O6 -","- C29 H29 N O6 -","- C116 H116 N4 O24 -","4","2","","Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L.","Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals.","Organic letters","2013","15","2","350","353","10.1021/ol303292c","","","0.71073","MoKα","","0.0614","0.0433","","","0.1054","0.1191","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508870","19.1983","0.0008","10.9762","0.0005","23.4467","0.001","90","","90","","90","","4940.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H33 N O7 -","- C27 H33 N O7 -","- C216 H264 N8 O56 -","8","1","","Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L.","Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals.","Organic letters","2013","15","2","350","353","10.1021/ol303292c","","","0.71073","MoKα","","0.0671","0.042","","","0.101","0.1154","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508871","9.6224","0.0006","10.0813","0.0006","14.8728","0.0009","103.357","0.001","105.497","0.001","103.944","0.001","1280.26","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N O7 -","- C28 H33 N O7 -","- C56 H66 N2 O14 -","2","1","","Gorbacheva, Evgenia O.; Tabolin, Andrey A.; Novikov, Roman A.; Khomutova, Yulia A.; Nelyubina, Yulia V.; Tomilov, Yury V.; Ioffe, Sema L.","Six-membered cyclic nitronates as 1,3-dipoles in formal [3 + 3]-cycloaddition with donor-acceptor cyclopropanes. Synthesis of new type of bicyclic nitrosoacetals.","Organic letters","2013","15","2","350","353","10.1021/ol303292c","","","0.71073","MoKα","","0.0654","0.0446","","","0.1049","0.1185","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508872","10.779","0.006","6.217","0.004","27.444","0.016","90","","93","0.006","90","","1836.6","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 S4 Si4 -","- C30 H44 S4 Si4 -","- C60 H88 S8 Si8 -","2","0.5","","Wu, Tianjing; Shi, Jianwu; Li, Chunli; Song, Jinsheng; Xu, Li; Wang, Hua","Synthesis of Dendrimers Based on Tetrakis(thiophene-2-yl)ethene as New Dendron.","Organic letters","2013","15","2","354","357","10.1021/ol303300w","","","0.71073","MoKα","","0.0863","0.0721","","","0.185","0.1944","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508873","12.183","0.007","16.129","0.009","16.62","0.01","100.265","0.01","92.579","0.011","90.124","0.011","3210","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H140 S16 Si12 -","- C110 H140 S16 Si12 -","- C110 H140 S16 Si12 -","1","0.5","","Wu, Tianjing; Shi, Jianwu; Li, Chunli; Song, Jinsheng; Xu, Li; Wang, Hua","Synthesis of Dendrimers Based on Tetrakis(thiophene-2-yl)ethene as New Dendron.","Organic letters","2013","15","2","354","357","10.1021/ol303300w","","","0.71073","MoKα","","0.1205","0.0627","","","0.153","0.1869","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508874","8.3493","0.0005","10.2504","0.0006","13.0418","0.0007","91.274","0.004","104.819","0.003","112.131","0.003","990.74","0.1","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 N2 -","- C27 H22 N2 -","- C54 H44 N4 -","2","1","","Chen, Hui; Sanjaya, Stephen; Wang, Yi-Feng; Chiba, Shunsuke","Copper-catalyzed aliphatic C-h amination with an amidine moiety.","Organic letters","2013","15","1","212","215","10.1021/ol303302r","","","0.71073","MoKα","","0.0813","0.0553","","","0.14","0.165","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508875","12.2998","0.001","8.3428","0.0007","18.0813","0.0014","90","","95.545","0.003","90","","1846.7","0.3","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 -","- C25 H20 N2 -","- C100 H80 N8 -","4","1","","Chen, Hui; Sanjaya, Stephen; Wang, Yi-Feng; Chiba, Shunsuke","Copper-catalyzed aliphatic C-h amination with an amidine moiety.","Organic letters","2013","15","1","212","215","10.1021/ol303302r","","","0.71073","MoKα","","0.0488","0.0362","","","0.0996","0.1249","","","","","","1.182","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508876","17.676","0.004","5.727","0.0012","23.637","0.005","90","","92.756","0.003","90","","2390","0.9","98","2","98","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(2<i>S</i>, 3<i>S</i>)-1-(4-Bromophenyl)-2,3-diphenyl -3-(tosylamino)propan-1-one","","- C28 H24 Br N O3 S -","- C28 H24 Br N O3 S -","- C112 H96 Br4 N4 O12 S4 -","4","2","","Guo, Qunsheng; Zhao, John Cong-Gui","Highly enantioselective three-component direct mannich reactions of unfunctionalized ketones catalyzed by bifunctional organocatalysts.","Organic letters","2013","15","3","508","511","10.1021/ol303315c","","","0.71073","MoKα","","0.0518","0.0457","","","0.1038","0.1095","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508877","6.9631","0.0019","9.251","0.003","11.149","0.003","82.052","0.004","85.96","0.004","68.329","0.004","660.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 N2 O3 -","- C16 H12 N2 O3 -","- C32 H24 N4 O6 -","2","1","","Zhu, Yan-Ping; Fei, Zhuan; Liu, Mei-Cai; Jia, Feng-Cheng; Wu, An-Xin","Direct One-Pot Synthesis of Luotonin F and Analogues via Rational Logical Design.","Organic letters","2013","15","2","378","381","10.1021/ol303331g","","","0.71073","MoKα","","0.0607","0.0519","","","0.1536","0.1826","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508878","9.688","0.001","10.4402","0.0012","12.9565","0.0014","89.249","0.009","80.806","0.008","85.661","0.009","1289.9","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 O3 Si -","- C32 H30 O3 Si -","- C64 H60 O6 Si2 -","2","1","","Kondo, Shin-Ichi; Bie, Yi; Yamamura, Masaki","Ratiometric Fluorescence Detection of Anions by Silanediol-based Receptors Bearing Anthryl and Pyrenyl Groups.","Organic letters","2013","15","3","520","523","10.1021/ol303332k","","","0.7107","MoKα","","0.0853","0.0678","","","0.1723","0.1925","","","","","","1.107","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508879","11.021","0.0004","22.8264","0.0007","26.376","0.0007","90","","90.593","0.003","90","","6635","0.4","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C62 H70 F12 N7 O14 P2 -","- C62 H70 F12 N7 O14 P2 -","- C248 H280 F48 N28 O56 P8 -","4","1","","Yan, Xuzhou; Li, Zhengtao; Wei, Peifa; Huang, Feihe","Chemically-Responsive Complexation of A Diquaternary Salt with Bis(m-phenylene)-32-Crown-10 Derivatives and Host Substituent Effect on Complexation Geometry.","Organic letters","2013","15","3","534","537","10.1021/ol303355z","","","0.71073","MoKα","","0.0486","0.0404","","","0.0946","0.0995","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508880","21.8315","0.0006","10.7382","0.0003","29.5987","0.0007","90","","90","","90","","6938.9","0.3","170","2","170","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C69 H78 F12 Fe2 N2 O15 P2 -","- C69 H78 F12 Fe2 N2 O15 P2 -","- C276 H312 F48 Fe8 N8 O60 P8 -","4","1","","Yan, Xuzhou; Li, Zhengtao; Wei, Peifa; Huang, Feihe","Chemically-Responsive Complexation of A Diquaternary Salt with Bis(m-phenylene)-32-Crown-10 Derivatives and Host Substituent Effect on Complexation Geometry.","Organic letters","2013","15","3","534","537","10.1021/ol303355z","","","0.71073","MoKα","","0.0553","0.0467","","","0.1081","0.1126","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508881","17.9964","0.001","13.7356","0.0006","32.6891","0.0015","90","","102.548","0.005","90","","7887.5","0.7","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H82 F12 N4 O20 P2 -","- C68 H82 F12 N4 O20 P2 -","- C272 H328 F48 N16 O80 P8 -","4","1","","Yan, Xuzhou; Li, Zhengtao; Wei, Peifa; Huang, Feihe","Chemically-Responsive Complexation of A Diquaternary Salt with Bis(m-phenylene)-32-Crown-10 Derivatives and Host Substituent Effect on Complexation Geometry.","Organic letters","2013","15","3","534","537","10.1021/ol303355z","","","0.71073","MoKα","","0.111","0.0802","","","0.2294","0.2672","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508882","5.737","0.002","8.686","0.003","10.931","0.004","83.072","0.006","79.957","0.007","75.074","0.007","516.6","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H19 N O5 S -","- C24 H19 N O5 S -","- C24 H19 N O5 S -","1","1","","An, Jing; Lu, Liang-Qiu; Yang, Qing-Qing; Wang, Tao; Xiao, Wen-Jing","Enantioselective Construction of Oxa- and Aza-Angular Triquinanes through Tandem [4 + 1]/[3 + 2] Cycloaddition of Sulfur Ylides and Nitroolefins.","Organic letters","2013","15","3","542","545","10.1021/ol303363r","","","0.71073","MoKα","","0.0778","0.0623","","","0.1187","0.1261","","","","","","1.154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1508883","11.1729","0.0001","22.3738","0.0003","8.8833","0.0001","90","","107.866","0.001","90","","2113.56","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O5 -","- C26 H21 N O5 -","- C104 H84 N4 O20 -","4","1","","An, Jing; Lu, Liang-Qiu; Yang, Qing-Qing; Wang, Tao; Xiao, Wen-Jing","Enantioselective Construction of Oxa- and Aza-Angular Triquinanes through Tandem [4 + 1]/[3 + 2] Cycloaddition of Sulfur Ylides and Nitroolefins.","Organic letters","2013","15","3","542","545","10.1021/ol303363r","","","1.54178","CuKα","","0.0314","0.0308","","","0.0744","0.0748","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508884","7.861","0.019","9.93","0.02","42.05","0.1","90","","90","","90","","3282","13","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O2 S2 -","- C16 H17 N O2 S2 -","- C128 H136 N8 O16 S16 -","8","1","","Xu, Xiao-Bo; Liu, Jian; Zhang, Jian-Jian; Wang, Ya-Wen; Peng, Yu","Nickel-mediated inter- and intramolecular C-s coupling of thiols and thioacetates with aryl iodides at room temperature.","Organic letters","2013","15","3","550","553","10.1021/ol303366u","","","0.71073","MoKα","","0.0799","0.055","","","0.1234","0.1341","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508885","8.132","0.005","12.907","0.007","23.129","0.013","90","","90","","90","","2428","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N O2 S -","- C13 H13 N O2 S -","- C104 H104 N8 O16 S8 -","8","1","","Xu, Xiao-Bo; Liu, Jian; Zhang, Jian-Jian; Wang, Ya-Wen; Peng, Yu","Nickel-mediated inter- and intramolecular C-s coupling of thiols and thioacetates with aryl iodides at room temperature.","Organic letters","2013","15","3","550","553","10.1021/ol303366u","","","0.71073","MoKα","","0.0704","0.0467","","","0.1132","0.1264","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508886","13.442","0.004","6.2752","0.0018","16.172","0.004","90","","106.076","0.012","90","","1310.8","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 N4 O4 S -","- C24 H32 N4 O4 S -","- C48 H64 N8 O8 S2 -","2","1","","Bian, Jianwei; Blakemore, David; Warmus, Joseph S.; Sun, Jianmin; Corbett, Matthew; Rose, Colin R.; Bechle, Bruce M.","Diastereoselective Synthesis of β-Heteroaryl syn-α-Methyl-β-Amino Acid Derivatives via a Double Chiral Auxiliary Approach.","Organic letters","2013","15","3","562","565","10.1021/ol3033785","","","1.54178","CuKα","","0.0794","0.055","","","0.1336","0.1444","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508887","8.1107","0.0002","11.3209","0.0003","11.3866","0.0003","108.914","0.002","101.259","0.002","104.447","0.002","913.25","0.05","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H20 O5 S -","- C21 H20 O5 S -","- C42 H40 O10 S2 -","2","1","","Reddy Chidipudi, Suresh; Wieczysty, Martin D.; Khan, Imtiaz; Lam, Hon Wai","Synthesis of Benzopyrans by Pd(II)- or Ru(II)-Catalyzed C-H Alkenylation of 2-Aryl-3-hydroxy-2-cyclohexenones.","Organic letters","2013","15","3","570","573","10.1021/ol3033835","","","0.71073","MoKα","","0.0386","0.0336","","","0.0889","0.0925","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508888","7.2612","0.0005","46.73","0.004","9.8379","0.0008","90","","104.021","0.009","90","","3238.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tethered kingianin precursor","","","- C40 H42 O8 -","- C40 H42 O8 -","- C160 H168 O32 -","4","1","","Lim, Hee Nam; Parker, Kathlyn A.","Total synthesis of kingianin a.","Organic letters","2013","15","2","398","401","10.1021/ol303388k","","","1.5418","CuKα","","0.1911","0.0681","","","0.1197","0.1756","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508889","10.8252","0.0002","14.0413","0.0003","16.0269","0.0003","80.5192","0.0013","80.3028","0.0012","76.9564","0.0013","2318.87","0.08","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H62 N2 O4 -","- C54 H62 N2 O4 -","- C108 H124 N4 O8 -","2","1","","Masuda, Motoki; Maeda, Chihiro; Yoshioka, Naoki","Synthesis of Carbazole-Based Selenaporphyrin via Annulation.","Organic letters","2013","15","3","578","581","10.1021/ol303392g","","","1.54187","CuKα","","0.1387","0.089","","","0.232","0.2659","","","","","","1.362","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508890","10.1478","0.0008","12.6951","0.0012","16.6983","0.0012","90.204","0.004","104.566","0.003","111.507","0.002","1926.1","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H50 N2 Se2 -","- C48 H50 N2 Se2 -","- C96 H100 N4 Se4 -","2","1","","Masuda, Motoki; Maeda, Chihiro; Yoshioka, Naoki","Synthesis of Carbazole-Based Selenaporphyrin via Annulation.","Organic letters","2013","15","3","578","581","10.1021/ol303392g","","","1.54178","CuKα","","0.0856","0.0709","","","0.2163","0.273","","","","","","1.253","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508891","6.385","0.0002","8.7697","0.0002","27.5194","0.0007","90","","90","","90","","1540.94","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O -","- C18 H26 N2 O -","- C72 H104 N8 O4 -","4","1","","Huang, Sheng-Dian; Zhang, Yu; Cao, Ming-Ming; Di, Ying-Tong; Tang, Gui-Hua; Peng, Zong-Gen; Jiang, Jian-Dong; He, Hong-Ping; Hao, Xiao-Jiang","Myriberine A, a New Alkaloid with an Unprecedented Heteropentacyclic Skeleton from Myrioneuron faberi.","Organic letters","2013","15","3","590","593","10.1021/ol3034065","","","1.54178","CuKα","","0.0398","0.0395","","","0.1019","0.1028","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508892","6.214","0.0003","15.5633","0.0009","45.916","0.003","90","","90","","90","","4440.6","0.4","140","","140","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H42 O -","- C25 H42 O -","- C200 H336 O8 -","8","2","","Chiba, Ryota; Minami, Atsushi; Gomi, Katsuya; Oikawa, Hideaki","Identification of Ophiobolin F Synthase by a Genome Mining Approach: A Sesterterpene Synthase from Aspergillus clavatus.","Organic letters","2013","15","3","594","597","10.1021/ol303408a","","","0.71075","MoKα","","","0.0816","","","","0.2334","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508893","16.382","0.005","16.382","0.005","39.89","0.02","90","","90","","120","","9271","6","100","2","100","2","","","","","","","","7","R 3 :H","R 3","146","","","","- C98 H156 F24 N22 Na4 O27 P4 -","- C98 H155.97 F24 N22 Na4 O27 P4 -","- C294 H467.91 F72 N66 Na12 O81 P12 -","3","0.333333","","Izzo, Irene; Ianniello, Graziella; De Cola, Chiara; Nardone, Brunello; Erra, Loredana; Vaughan, Gavin; Tedesco, Consiglia; De Riccardis, Francesco","Structural effects of proline substitution and metal binding on hexameric cyclic peptoids.","Organic letters","2013","15","3","598","601","10.1021/ol3034143","","","0.3006","","","0.1481","0.1436","","","0.4399","0.485","","","","","","2.29","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508894","8.3584","0.0035","9.1756","0.0036","11.6234","0.0042","99.636","0.006","101.488","0.012","104.239","0.013","824.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H54 N6 O12 -","- C30 H54 N6 O12 -","- C30 H54 N6 O12 -","1","0.5","","Izzo, Irene; Ianniello, Graziella; De Cola, Chiara; Nardone, Brunello; Erra, Loredana; Vaughan, Gavin; Tedesco, Consiglia; De Riccardis, Francesco","Structural effects of proline substitution and metal binding on hexameric cyclic peptoids.","Organic letters","2013","15","3","598","601","10.1021/ol3034143","","","0.71073","MoKα","","0.0559","0.046","","","0.1203","0.1295","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508895","12.29","0.0014","14.996","0.0016","16.269","0.002","98.514","0.008","106.348","0.01","99.374","0.009","2778.6","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H49 Cl7 Fe N6 O6 -","- C57 H49 Cl7 Fe N6 O6 -","- C114 H98 Cl14 Fe2 N12 O12 -","2","1","","Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing","Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.","Organic letters","2013","15","3","606","609","10.1021/ol303419b","","","1.54187","CuKα","","0.0821","0.0767","","","0.2156","0.2266","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508896","14.527","0.0013","30.638","0.003","12.3382","0.001","90","","97.26","0.006","90","","5447.4","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Cl Fe N6 O6 -","- C56 H48 Cl Fe N6 O6 -","- C224 H192 Cl4 Fe4 N24 O24 -","4","1","","Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing","Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.","Organic letters","2013","15","3","606","609","10.1021/ol303419b","","","1.54187","CuKα","","0.0845","0.0762","","","0.2143","0.2285","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508897","15.923","0.0014","16.738","0.0015","22.371","0.002","91.302","0.013","93.701","0.008","90.604","0.006","5947.9","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H50 Cl Fe N6 O6 -","- C57 H50 Cl Fe N6 O6 -","- C228 H200 Cl4 Fe4 N24 O24 -","4","2","","Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing","Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.","Organic letters","2013","15","3","606","609","10.1021/ol303419b","","","1.54187","CuKα","","0.1038","0.0919","","","0.2547","0.2699","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508898","15.749","0.002","15.991","0.002","16.15","0.003","61.74","0.02","63.39","0.02","62.81","0.03","3044.2","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Cl Fe N6 O6 -","- C58 H52 Cl Fe N6 O6 -","- C116 H104 Cl2 Fe2 N12 O12 -","2","1","","Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing","Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.","Organic letters","2013","15","3","606","609","10.1021/ol303419b","","","0.71073","MoKα","","0.0607","0.044","","","0.1078","0.113","","","","","","0.946","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508899","14.0827","0.0012","16.3185","0.0017","16.6591","0.0018","62.671","0.012","75","0.02","71.377","0.019","3194.3","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H54 Cl Fe N6 O6 -","- C59 H54 Cl Fe N6 O6 -","- C118 H108 Cl2 Fe2 N12 O12 -","2","1","","Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing","Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.","Organic letters","2013","15","3","606","609","10.1021/ol303419b","","","1.54187","CuKα","","0.0864","0.0775","","","0.2092","0.2225","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508900","15.2","0.0013","16.065","0.0015","16.305","0.0016","115.096","0.008","116.65","0.001","94.005","0.004","3051.7","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Cl Fe N6 O6 -","- C60 H56 Cl Fe N6 O6 -","- C120 H112 Cl2 Fe2 N12 O12 -","2","1","","Zhou, Zaichun; Liu, Qiuhua; Yan, Ziqiang; Long, Ge; Zhang, Xi; Cao, Chenzhong; Jiang, Rongqing","Conversion of Electron Configuration of Iron Ion through Core Contraction of Porphyrin: Implications for Heme Distortion.","Organic letters","2013","15","3","606","609","10.1021/ol303419b","","","1.54187","CuKα","","0.0868","0.0804","","","0.2083","0.2204","","","","","","1.113","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508901","13.2153","0.0016","7.6831","0.0008","12.8817","0.0018","90","","107.622","0.008","90","","1246.6","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Tran, Tuan P.; Mullins, Patrick B.; Am Ende, Christopher W.; Pettersson, Martin","Synthesis of Pyridopyrazine-1,6-diones from 6-Hydroxypicolinic Acids via a One-Pot Coupling/Cyclization Reaction.","Organic letters","2013","15","3","642","645","10.1021/ol303463e","","","1.54178","CuKα","","0.0398","0.0374","","","0.0994","0.1027","","","","","","1.059","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508902","7.5741","0.0003","13.7438","0.0005","21.7946","0.0007","90","","90","","90","","2268.75","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H10 N4 O -","- C12 H10 N4 O -","- C96 H80 N32 O8 -","8","1","","Tran, Tuan P.; Mullins, Patrick B.; Am Ende, Christopher W.; Pettersson, Martin","Synthesis of Pyridopyrazine-1,6-diones from 6-Hydroxypicolinic Acids via a One-Pot Coupling/Cyclization Reaction.","Organic letters","2013","15","3","642","645","10.1021/ol303463e","","","1.54178","CuKα","","0.0567","0.0446","","","0.1187","0.1285","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508903","15.8197","0.0005","12.6493","0.0004","7.2819","0.0002","90","","95.363","0.001","90","","1450.79","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Br N2 O2 -","- C16 H15 Br N2 O2 -","- C64 H60 Br4 N8 O8 -","4","1","","Tran, Tuan P.; Mullins, Patrick B.; Am Ende, Christopher W.; Pettersson, Martin","Synthesis of Pyridopyrazine-1,6-diones from 6-Hydroxypicolinic Acids via a One-Pot Coupling/Cyclization Reaction.","Organic letters","2013","15","3","642","645","10.1021/ol303463e","","","1.54178","CuKα","","0.0474","0.0469","","","0.1213","0.122","","","","","","1.204","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508904","10.3793","0.0001","10.3793","0.0001","25.352","0.0007","90","","90","","90","","2731.17","0.08","97","2","97","2","","","","","","","","4","P 43","P 4cw","78","","(4R,5S)-3-((S)-3-(5-(benzyloxy)-7-methoxy-2-methyl- 4-oxo-4H-chromen-6-yl)-2-methylpropanoyl)-4-methyl-5- phenyloxazolidin-2-one","","- C32 H31 N O7 -","- C32 H31 N O7 -","- C128 H124 N4 O28 -","4","1","","Kim, U. Bin; Furkert, Daniel P.; Brimble, Margaret A.","Total synthesis of chaetoquadrins a-C.","Organic letters","2013","15","3","658","661","10.1021/ol303482k","","","0.71073","MoKα","","0.025","0.0243","","","0.0618","0.0622","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508905","10.8314","0.0008","15.999","0.0012","12.6094","0.0009","90","","115.323","0.002","90","","1975.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1a in manuscript","","","- C16 H20 N2 Se Si2 -","- C16 H20 N2 Se Si2 -","- C64 H80 N8 Se4 Si8 -","4","1","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.0564","0.0343","","","0.0776","0.0855","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508906","10.4163","0.0009","17.0453","0.0014","15.4541","0.0013","90","","106.965","0.001","90","","2624.5","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2b in manuscript","","","- C26 H34 N2 Se Si2 -","- C26 H34 N2 Se Si2 -","- C104 H136 N8 Se4 Si8 -","4","1","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.0597","0.0352","","","0.0731","0.0824","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508907","14.751","0.003","14.938","0.003","15.035","0.003","90","","105.604","0.005","90","","3190.9","1.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1c in manuscript","","","- C28 H44 N2 Se Si2 -","- C28 H44 N2 Se Si2 -","- C112 H176 N8 Se4 Si8 -","4","1","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.0711","0.0485","","","0.1217","0.1348","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508908","14.8139","0.0008","15.1816","0.0008","30.2664","0.0017","90","","93.844","0.001","90","","6791.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2c in manuscript","","","- C32 H46 N2 Se Si2 -","- C32 H46 N2 Se Si2 -","- C256 H368 N16 Se8 Si16 -","8","2","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.0818","0.0458","","","0.1109","0.1262","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508909","8.1957","0.0016","13.139","0.003","17.152","0.003","78.547","0.004","81.601","0.004","80.832","0.004","1774.5","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","3c in manuscript","","","- C36 H48 N2 Se Si2 -","- C36 H48 N2 Se Si2 -","- C72 H96 N4 Se2 Si4 -","2","1","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.068","0.0419","","","0.0912","0.1003","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508910","9.0805","0.0004","12.4223","0.0006","16.7125","0.0008","71.73","0.001","83.493","0.001","81.475","0.001","1765.88","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","4c in manuscript","","","- C34 H46 N4 Se Si2 -","- C34 H46 N4 Se Si2 -","- C68 H92 N8 Se2 Si4 -","2","1","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.0615","0.0391","","","0.0961","0.1055","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508911","8.2003","0.0008","13.1453","0.0014","17.1892","0.0016","78.043","0.003","81.532","0.003","80.552","0.003","1775.8","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","""consanguine of 3c"" in manuscript","","","- C36 H48 N2 S Si2 -","- C36 H48 N2 S Si2 -","- C72 H96 N4 S2 Si4 -","2","1","","Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.","From thia- to selenadiazoles: changing interaction priority.","Organic letters","2013","15","3","666","669","10.1021/ol303490b","","","0.71073","MoKα","","0.1296","0.0609","","","0.112","0.1372","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508912","10.9383","0.0018","9.6552","0.0016","19.32","0.003","90","","104.308","0.003","90","","1977.1","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 O6 -","- C22 H17 N3 O6 -","- C88 H68 N12 O24 -","4","1","","Shu, Wen-Ming; Yang, Yan; Zhang, Dong-Xue; Wu, Liu-Ming; Zhu, Yan-Ping; Yin, Guo-Dong; Wu, An-Xin","Highly Efficient Synthesis of 3a,6a-Dihydrofuro[2,3-b]furans via a Novel Bicyclization.","Organic letters","2013","15","3","456","459","10.1021/ol400016c","","","0.71073","MoKα","","0.0643","0.0508","","","0.1617","0.177","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508913","10.877","0.003","9.556","0.003","19.596","0.006","90","","106.11","","90","","1956.8","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Br N2 O4 -","- C22 H17 Br N2 O4 -","- C88 H68 Br4 N8 O16 -","4","1","","Shu, Wen-Ming; Yang, Yan; Zhang, Dong-Xue; Wu, Liu-Ming; Zhu, Yan-Ping; Yin, Guo-Dong; Wu, An-Xin","Highly Efficient Synthesis of 3a,6a-Dihydrofuro[2,3-b]furans via a Novel Bicyclization.","Organic letters","2013","15","3","456","459","10.1021/ol400016c","","","0.71073","MoKα","","0.0703","0.0449","","","0.1058","0.1182","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508914","10.8804","0.0015","5.4346","0.0007","31.653","0.004","90","","91.258","0.002","90","","1871.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O4 -","- C22 H16 N2 O4 -","- C88 H64 N8 O16 -","4","1","","Shu, Wen-Ming; Yang, Yan; Zhang, Dong-Xue; Wu, Liu-Ming; Zhu, Yan-Ping; Yin, Guo-Dong; Wu, An-Xin","Highly Efficient Synthesis of 3a,6a-Dihydrofuro[2,3-b]furans via a Novel Bicyclization.","Organic letters","2013","15","3","456","459","10.1021/ol400016c","","","0.71073","MoKα","","0.0662","0.0607","","","0.1606","0.1642","","","","","","1.121","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508915","10.54","0.0009","13.2962","0.0012","13.7619","0.0013","71.577","0.002","89.697","0.002","69.957","0.002","1707.4","0.3","15","2","15","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H44 N2 O8 S -","- C38 H44 N2 O8 S -","- C76 H88 N4 O16 S2 -","2","2","","Rajapaksa, Naomi S.; McGowan, Meredeth A.; Rienzo, Matthew; Jacobsen, Eric N.","Enantioselective total synthesis of (+)-reserpine.","Organic letters","2013","15","3","706","709","10.1021/ol400046n","","","0.41328","synchrotron","","0.0571","0.0447","","","0.0954","0.1015","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508916","31.372","0.003","7.5677","0.0008","7.9918","0.0009","90","","90","","90","","1897.4","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H18 Cu N6 S2 -","- C18 H18 Cu N6 S2 -","- C72 H72 Cu4 N24 S8 -","4","0.5","","Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G.","In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes.","Journal of medicinal chemistry","2013","56","3","722","734","10.1021/jm300938r","","","0.71073","MoKα","","0.0499","0.0363","","","0.0903","0.0963","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508917","15.1825","0.0009","11.7338","0.0006","29.6982","0.0017","90","","100.534","0.004","90","","5201.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H54 Cl2 Cu2 N12 S4 -","- C49 H54 Cl2 Cu2 N12 S4 -","- C196 H216 Cl8 Cu8 N48 S16 -","4","1","","Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G.","In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes.","Journal of medicinal chemistry","2013","56","3","722","734","10.1021/jm300938r","","","0.71073","MoKα","","0.1208","0.0543","","","0.138","0.1587","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508918","7.58","0.005","12.83","0.005","18.298","0.005","98.489","0.005","99.605","0.005","91.102","0.005","1733.6","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Cu N6 S2 -","- C14 H22 Cu N6 S2 -","- C56 H88 Cu4 N24 S8 -","4","2","","Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G.","In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes.","Journal of medicinal chemistry","2013","56","3","722","734","10.1021/jm300938r","","","0.71073","MoKα","","0.1684","0.0528","","","0.102","0.1362","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508919","10.4825","0.0003","12.3742","0.0004","16.3558","0.0005","83.7391","0.0018","86.7693","0.0018","68.5231","0.0016","1962.16","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H37 N2 O5 -","- C49 H37 N2 O5 -","- C98 H74 N4 O10 -","2","1","","Cheriya, Rijo T.; Nagarajan, Kalaivanan; Hariharan, Mahesh","Single-Component Organic Light-Harvesting Red Luminescent Crystal","The Journal of Physical Chemistry C","2013","117","7","3240","","10.1021/jp309752x","","","1.54178","CuKα","","0.0661","0.0549","","","0.1506","0.1571","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508920","11.125","0.001","21.323","0.006","10.4804","0.0012","90","","107.093","0.011","90","","2376.3","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C112 H96 N8 O16 -","4","1","","Wei, Ruirui; Song, Panshu; Tong, Aijun","Reversible Thermochromism of Aggregation-Induced Emission-Active Benzophenone Azine Based on Polymorph-Dependent Excited-State Intramolecular Proton Transfer Fluorescence","The Journal of Physical Chemistry C","2013","117","7","3467","","10.1021/jp311020w","","","0.71073","MoKα","","0.0916","0.0562","","","0.1198","0.1392","","","","","","1.024","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508921","19.228","0.004","12.902","0.0014","21.509","0.003","90","","118.55","0.02","90","","4687.1","1.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C224 H192 N16 O32 -","8","1","","Wei, Ruirui; Song, Panshu; Tong, Aijun","Reversible Thermochromism of Aggregation-Induced Emission-Active Benzophenone Azine Based on Polymorph-Dependent Excited-State Intramolecular Proton Transfer Fluorescence","The Journal of Physical Chemistry C","2013","117","7","3467","","10.1021/jp311020w","","","0.71073","MoKα","","0.123","0.0678","","","0.102","0.1463","","","","","","1.417","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508922","9.887","0.006","12.071","0.007","26.395","0.015","90.302","0.01","92.637","0.012","103.19","0.01","3063","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H72 Cl N O2 P4 W -","- C74 H72 Cl N O2 P4 W -","- C148 H144 Cl2 N2 O4 P8 W2 -","2","1","","Moravec, Davis B.; Hopkins, Michael D.","FRET Sensitization of Tungsten-Alkylidyne Complexes by Zinc Porphyrins in Self-Assembled Dyads.","The journal of physical chemistry. A","2013","117","8","1744","1755","10.1021/jp312421d","","","0.71073","MoKα","","0.1055","0.0599","","","0.0931","0.103","","","","","","0.787","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508923","7.9356","0.0004","7.1221","0.0004","8.5697","0.0006","90","","102.824","0.006","90","","472.26","0.05","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S,4AR)-8-hydroxy-3-methyl-3,4,4A,5,6, 7-hexahydro-1h-isochromen-1-one","","- C10 H14 O3 -","- C10 H14 O3 -","- C20 H28 O6 -","2","1","","Kumar, Manjeet; Qadri, Masroor; Sharma, Parduman Raj; Kumar, Arvind; Andotra, Samar S.; Kaur, Tandeep; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Hamid, Abid; Johri, Sarojini; Taneja, Subhash C.; Vishwakarma, Ram A.; Riyaz-Ul-Hassan, Syed; Shah, Bhahwal Ali","Tubulin Inhibitors from an Endophytic Fungus Isolated from Cedrus deodara.","Journal of natural products","2013","76","2","194","199","10.1021/np3006666","","","0.71073","MoKα","","0.0542","0.0413","","","0.1022","0.1088","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508924","7.3937","0.0003","10.5911","0.0005","10.6467","0.0005","90","","90","","90","","833.72","0.07","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1S,3R,5R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one","","- C9 H14 O2 -","- C9 H14 O2 -","- C36 H56 O8 -","4","1","","Kumar, Manjeet; Qadri, Masroor; Sharma, Parduman Raj; Kumar, Arvind; Andotra, Samar S.; Kaur, Tandeep; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni; Hamid, Abid; Johri, Sarojini; Taneja, Subhash C.; Vishwakarma, Ram A.; Riyaz-Ul-Hassan, Syed; Shah, Bhahwal Ali","Tubulin Inhibitors from an Endophytic Fungus Isolated from Cedrus deodara.","Journal of natural products","2013","76","2","194","199","10.1021/np3006666","","","0.71073","MoKα","","0.0419","0.0336","","","0.0797","0.0839","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508925","8.4382","0.0013","10.6416","0.0017","23.583","0.004","90","","90","","90","","2117.7","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 O6 S -","- C22 H30 O6 S -","- C88 H120 O24 S4 -","4","1","","Saha, Mrinmoy; Carter, Rich G.","Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine.","Organic letters","2013","15","4","736","739","10.1021/ol303272w","","","0.71073","MoKα","","0.0303","0.0288","","","0.0722","0.0732","","","","","","1.04","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508926","8.0743","0.0016","10.233","0.002","20.798","0.004","90","","90","","90","","1718.4","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O5 S -","- C19 H24 O5 S -","- C76 H96 O20 S4 -","4","1","","Saha, Mrinmoy; Carter, Rich G.","Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine.","Organic letters","2013","15","4","736","739","10.1021/ol303272w","","","0.71073","MoKα","","0.0339","0.0322","","","0.0824","0.0839","","","","","","1.069","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508927","8.0553","0.0009","10.1921","0.0011","21.862","0.002","90","","90","","90","","1794.9","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O6 S -","- C19 H26 O6 S -","- C76 H104 O24 S4 -","4","1","","Saha, Mrinmoy; Carter, Rich G.","Toward a unified approach for the lycopodines: synthesis of 10-hydroxylycopodine, deacetylpaniculine, and paniculine.","Organic letters","2013","15","4","736","739","10.1021/ol303272w","","","0.71073","MoKα","","0.0261","0.0257","","","0.0702","0.0707","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508928","7.0625","0.0004","10.8486","0.0006","18.2963","0.0008","90","","94.908","0.005","90","","1396.69","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CBTA.BPE-1","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Stojaković, Jelena; Saha, Binoy K.; Macgillivray, Leonard R.","A product of a templated solid-state photodimerization acts as a template: single-crystal reactivity in a single polymorph of a cocrystal.","Organic letters","2013","15","4","744","747","10.1021/ol303283s","","","0.7107","MoKα","","0.0908","0.0524","","","0.1103","0.1311","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508929","7.3377","0.0004","11.3673","0.0007","18.0101","0.0011","74.38","0.005","90.072","0.005","70.386","0.005","1355.82","0.15","130","2","130","2","","","","","","","","4","P -1","-P 1","2","CBTA-BPE-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Stojaković, Jelena; Saha, Binoy K.; Macgillivray, Leonard R.","A product of a templated solid-state photodimerization acts as a template: single-crystal reactivity in a single polymorph of a cocrystal.","Organic letters","2013","15","4","744","747","10.1021/ol303283s","","","0.7107","MoKα","","0.1213","0.0818","","","0.1994","0.2291","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508930","9.131","0.005","11.006","0.006","15.272","0.007","99.5","0.03","98.7","0.02","110.13","0.03","1384.9","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","cbta.4,4'-tpcb","rctt-cyclobutane-1,2,3,4-tetracarboxylic acid rctt-tetrakis(4-pyridyl)cyclobutane","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Stojaković, Jelena; Saha, Binoy K.; Macgillivray, Leonard R.","A product of a templated solid-state photodimerization acts as a template: single-crystal reactivity in a single polymorph of a cocrystal.","Organic letters","2013","15","4","744","747","10.1021/ol303283s","","","0.71073","MoKα","","0.2534","0.1189","","","0.2186","0.2754","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508931","26.5331","0.0009","8.0048","0.0003","9.7571","0.0004","90","","97.575","0.002","90","","2054.25","0.13","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H13 Cl4 N2 O3 -","- C21 H13 Cl4 N2 O3 -","- C84 H52 Cl16 N8 O12 -","4","1","","Alvarez-Mico, Xavier; Jensen, Paul R.; Fenical, William; Hughes, Chambers C.","Chlorizidine, a Cytotoxic 5H-Pyrrolo[2,1-a]isoindol-5-one-Containing Alkaloid from a Marine Streptomyces sp.","Organic letters","2013","15","5","988","991","10.1021/ol303374e","","","1.54178","CuKα","","0.0377","0.0352","","","0.0872","0.0891","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508932","7.649","0.0007","11.8911","0.001","12.6157","0.0011","105.779","0.001","98.658","0.001","92.067","0.001","1088.06","0.17","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H14 Cl4 N2 O5 -","- C22 H14 Cl4 N2 O5 -","- C44 H28 Cl8 N4 O10 -","2","2","","Alvarez-Mico, Xavier; Jensen, Paul R.; Fenical, William; Hughes, Chambers C.","Chlorizidine, a Cytotoxic 5H-Pyrrolo[2,1-a]isoindol-5-one-Containing Alkaloid from a Marine Streptomyces sp.","Organic letters","2013","15","5","988","991","10.1021/ol303374e","","","0.71073","MoKα","","0.0348","0.0334","","","0.0822","0.0839","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508933","7.7215","0.0003","7.90305","0.00019","16.5104","0.0004","90","","101.898","0.0016","90","","985.87","0.05","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","Orimoto, Kohei; Oyama, Harufumi; Namera, Yuki; Niwa, Takashi; Nakada, Masahisa","Catalytic Asymmetric [4 + 2] Cycloadditions and Hosomi-Sakurai Reactions of α-Alkylidene β-Keto Imides.","Organic letters","2013","15","4","768","771","10.1021/ol303381c","","","1.54187","CuKα","","","0.0549","","","","0.143","","","","","","1.175","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508934","16.6508","0.0012","12.0775","0.0009","14.6164","0.0011","90","","109.539","0.001","90","","2770.1","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","2","","Liu, Xu; Zhang, Qian; Zhang, Dingyuan; Xin, Xiaoqing; Zhang, Rui; Zhou, Fenguo; Dong, Dewen","PPA-Mediated C-C Bond Formation: A Synthetic Route to Substituted Indeno[2,1-c]quinolin-6(7H)-ones.","Organic letters","2013","15","4","776","779","10.1021/ol303423f","","","0.71073","MoKα","","0.0908","0.0606","","","0.1748","0.1995","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508935","5.3516","0.0009","19.434","0.003","13.261","0.002","90","","95.518","0.002","90","","1372.8","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 O10 S -","- C28 H34 O10 S -","- C56 H68 O20 S2 -","2","1","","Chooi, Yit-Heng; Fang, Jinxu; Liu, Hong; Filler, Scott G.; Wang, Pin; Tang, Yi","Genome Mining of a Prenylated and Immunosuppressive Polyketide from Pathogenic Fungi.","Organic letters","2013","15","4","780","783","10.1021/ol303435y","","","0.71073","MoKα","","0.0563","0.05","","","0.1302","0.1356","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508936","11.84571","0.00019","13.0433","0.0002","17.6965","0.0003","90","","90","","90","","2734.24","0.08","173","0.1","173","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 O7 -","- C32 H34 O7 -","- C128 H136 O28 -","4","1","","Liu, Ming-Li; Duan, Ying-Hui; Hou, Yun-Long; Li, Chang; Gao, Hao; Dai, Yi; Yao, Xin-Sheng","Nardoaristolones A and B, Two Terpenoids with Unusual Skeletons from Nardostachys chinensis Batal.","Organic letters","2013","15","5","1000","1003","10.1021/ol3034466","","","1.54184","CuKα","","0.0505","0.0499","","","0.1373","0.1379","","","","","","1.068","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508937","8.06899","0.00012","9.64395","0.00014","15.6052","0.0003","90","","90","","90","","1214.35","0.03","157","2","157","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Liu, Ming-Li; Duan, Ying-Hui; Hou, Yun-Long; Li, Chang; Gao, Hao; Dai, Yi; Yao, Xin-Sheng","Nardoaristolones A and B, Two Terpenoids with Unusual Skeletons from Nardostachys chinensis Batal.","Organic letters","2013","15","5","1000","1003","10.1021/ol3034466","","","1.54184","CuKα","","0.0262","0.026","","","0.0684","0.0686","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508938","8.10822","0.00015","13.8133","0.0003","15.9269","0.0003","90","","90","","90","","1783.83","0.06","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 O3 P -","- C20 H23 O3 P -","- C80 H92 O12 P4 -","4","1","","Sawada, Takashi; Nakada, Masahisa","Enantioselective Total Synthesis of (+)-Colletoic Acid via Catalytic Asymmetric Intramolecular Cyclopropanation of an α-Diazo-β-keto Diphenylphosphine Oxide.","Organic letters","2013","15","5","1004","1007","10.1021/ol303459x","","","1.54187","CuKα","","","0.0325","","","","0.0879","","","","","","1.134","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508939","10.963","0.003","11.569","0.004","17.41","0.005","90","","90","","90","","2208.1","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H36 N2 O2 S Si -","- C17 H36 N2 O2 S Si -","- C68 H144 N8 O8 S4 Si4 -","4","1","","Cornwall, Richard G.; Zhao, Baoguo; Shi, Yian","Catalytic asymmetric synthesis of cyclic sulfamides from conjugated dienes.","Organic letters","2013","15","4","796","799","10.1021/ol303469a","","","0.71073","MoKα","","0.036","0.0312","","","0.0857","0.0892","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508940","7.0896","0.0004","9.732","0.0009","11.0373","0.0009","99.588","0.004","91.694","0.004","96.224","0.004","745.58","0.1","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H12 Br2 O2 -","- C19 H12 Br2 O2 -","- C38 H24 Br4 O4 -","2","1","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.0651","0.0519","","0.0486","0.0477","0.0477","","","","","","1.1665","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508941","7.0844","0.0002","10.1531","0.0004","10.6861","0.0004","105.788","0.0017","98.355","0.002","96.968","0.002","721.27","0.05","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 N2 O2 -","- C20 H12 N2 O2 -","- C40 H24 N4 O4 -","2","1","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.0587","0.0467","","0.0658","0.0573","0.0573","","","","","","1.0696","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508942","6.8305","0.0002","11.0589","0.0005","19.8828","0.0009","90","","90","","90","","1501.9","0.11","120","","120","","","","","","","","","4","P m c n","-P 2n 2a","62","","","","- C21 H12 N2 O2 -","- C21 H12 N2 O2 -","- C84 H48 N8 O8 -","4","0.5","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.0599","0.0416","","0.0514","0.0495","0.0495","","","","","","1.0809","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508943","15.5468","0.001","10.7779","0.001","10.234","0.0008","90","","114.524","0.005","90","","1560.1","0.2","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 O2 -","- C10 H9 O2 -","- C80 H72 O16 -","8","1","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.0628","0.0428","","0.0603","0.0532","0.0532","","","","","","1.0806","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508944","11.3553","0.0006","7.1744","0.0005","11.5613","0.0008","90","","119.414","0.003","90","","820.46","0.09","120","","120","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C44 H36 O8 -","2","0.5","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.0721","0.0507","","0.0604","0.0593","0.0593","","","","","","1.0725","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508945","9.0368","0.0003","9.2187","0.0005","13.518","0.0006","90","","97.088","0.002","90","","1117.55","0.09","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 N4 -","- C28 H22 N4 -","- C56 H44 N8 -","2","0.5","","Zöphel, Lukas; Enkelmann, Volker; Müllen, Klaus","Tuning the HOMO-LUMO Gap of Pyrene Effectively via Donor-Acceptor Substitution: Positions 4,5 Versus 9,10.","Organic letters","2013","15","4","804","807","10.1021/ol303476g","","","0.71073","MoKα","","0.1173","0.0783","","0.1221","0.0988","0.0988","","","","","","1.0775","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508946","17.131","0.003","10.7442","0.0018","14.687","0.002","90","","93.702","0.006","90","","2697.6","0.8","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 N3 O -","- C37 H25 N3 O -","- C148 H100 N12 O4 -","4","1","","Ghosh, Avijit; Chatterjee, Tamal; Lee, Way-Zen; Ravikanth, Mangalampalli","Unusual formation of 21-oxacorrole from 21-oxaporphyrin induced by phosphoryl chloride.","Organic letters","2013","15","5","1040","1043","10.1021/ol303527v","","","0.71073","MoKα","","0.0787","0.0476","","","0.1261","0.1548","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508947","10.25","0.0006","10.486","0.0006","16.7877","0.0011","90","","114.815","0.004","90","","1637.77","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N O3 -","- C19 H16 Cl N O3 -","- C76 H64 Cl4 N4 O12 -","4","1","","Wei, Ying; Lin, Shaoxia; Liang, Fushun; Zhang, Jingping","N-Bromosuccinimide/1,8-Diazabicyclo[5.4.1]undec-7-ene Combination: β-Amination of Chalcones via a Tandem Bromoamination/Debromination Sequence.","Organic letters","2013","15","4","852","855","10.1021/ol303539u","","","0.71073","MoKα","","0.0463","0.035","","","0.0853","0.0926","","","","","","1.018","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1508948","8.8897","0.0013","17.783","0.003","10.6532","0.0015","90","","112.329","0.002","90","","1557.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Nakai, Kenichiro; Kurahashi, Takuya; Matsubara, Seijiro","Synthesis of Quinolones by Nickel-Catalyzed Cycloaddition via Elimination of Nitrile.","Organic letters","2013","15","4","856","859","10.1021/ol303546p","","","0.71073","MoKα","","0.059","0.0471","","","0.1361","0.1446","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508949","10.1765","0.0009","16.6581","0.0014","10.2059","0.0009","90","","114.481","0.001","90","","1574.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Nakai, Kenichiro; Kurahashi, Takuya; Matsubara, Seijiro","Synthesis of Quinolones by Nickel-Catalyzed Cycloaddition via Elimination of Nitrile.","Organic letters","2013","15","4","856","859","10.1021/ol303546p","","","0.71073","MoKα","","0.055","0.0488","","","0.1447","0.1519","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508950","9.459","0.003","10.483","0.003","11.488","0.003","94.23","0.005","97.208","0.005","116.495","0.004","1000.6","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H19 N O -","- C27 H19 N O -","- C54 H38 N2 O2 -","2","1","","Nakai, Kenichiro; Kurahashi, Takuya; Matsubara, Seijiro","Synthesis of Quinolones by Nickel-Catalyzed Cycloaddition via Elimination of Nitrile.","Organic letters","2013","15","4","856","859","10.1021/ol303546p","","","0.71073","MoKα","","0.054","0.0445","","","0.1312","0.1388","","","","","","1.083","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508951","10.1388","0.001","10.3543","0.0011","10.8675","0.0012","98.858","0.002","115.501","0.002","99.511","0.002","982.56","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 F4 N2 O2 -","- C22 H16 F4 N2 O2 -","- C44 H32 F8 N4 O4 -","2","1","","Yu, Daohong; Lu, Long; Shen, Qilong","Palladium-Catalyzed Coupling of Polyfluorinated Arenes with Heteroarenes via C-F/C-H Activation.","Organic letters","2013","15","4","940","943","10.1021/ol303567t","","","0.71073","MoKα","","0.0617","0.0442","","","0.1228","0.1352","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508952","7.9035","0.0006","9.5259","0.0008","10.3445","0.0008","103.883","0.002","105.781","0.002","98.414","0.002","708.66","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 F2 N2 O -","- C18 H10 F2 N2 O -","- C36 H20 F4 N4 O2 -","2","1","","Yu, Daohong; Lu, Long; Shen, Qilong","Palladium-Catalyzed Coupling of Polyfluorinated Arenes with Heteroarenes via C-F/C-H Activation.","Organic letters","2013","15","4","940","943","10.1021/ol303567t","","","0.71073","MoKα","","0.0445","0.0402","","","0.1113","0.1156","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508953","13.5018","0.0009","16.1917","0.0012","8.5746","0.0006","90","","96.006","0.002","90","","1864.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C80 H104 N8 O8 -","4","1","","Liu, Yuchen; Zhen, Wencui; Dai, Wei; Wang, Fen; Li, Xingwei","Silver(I)-catalyzed addition-cyclization of alkyne-functionalized azomethines.","Organic letters","2013","15","4","874","877","10.1021/ol4000108","","","0.71073","MoKα","","0.0657","0.0582","","","0.1821","0.1903","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508954","11.0475","0.0003","8.7287","0.0002","16.2757","0.0006","90","","98.023","0.003","90","","1554.11","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C68 H88 N8 O8 -","4","1","","Liu, Yuchen; Zhen, Wencui; Dai, Wei; Wang, Fen; Li, Xingwei","Silver(I)-catalyzed addition-cyclization of alkyne-functionalized azomethines.","Organic letters","2013","15","4","874","877","10.1021/ol4000108","","","0.71073","MoKα","","0.0557","0.0402","","","0.1134","0.1219","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508955","8.0877","0.0016","8.3009","0.0017","37.117","0.007","90","","90","","90","","2491.9","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 N2 O8 -","- C25 H28 N2 O8 -","- C100 H112 N8 O32 -","4","1","","Yang, Shouliang; Xi, Yumeng; Zhu, Rong; Wang, Lin; Chen, Jiahua; Yang, Zhen","Asymmetric Total Syntheses of Ansamacrolactams (+)-Q-1047H-A-A and (+)-Q-1047H-R-A.","Organic letters","2013","15","4","812","815","10.1021/ol400038h","","","0.71073","MoKα","","0.0578","0.0545","","","0.1208","0.1227","","","","","","1.181","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508956","7.2756","0.0003","14.0819","0.0006","19.2518","0.0008","90","","90","","90","","1972.43","0.14","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C96 H72 N8 O32 -","8","2","","Tsui, Gavin Chit; Ninnemann, Nina M.; Hosotani, Akihito; Lautens, Mark","Expedient Synthesis of Chiral Oxazolidinone Scaffolds via Rhodium-Catalyzed Asymmetric Ring-Opening with Sodium Cyanate.","Organic letters","2013","15","5","1064","1067","10.1021/ol4000668","","","1.54178","CuKα","","0.0263","0.026","","","0.0657","0.066","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508957","6.9888","0.0001","10.8795","0.0002","19.1331","0.0004","92.887","0.001","91.033","0.001","90.132","0.001","1452.69","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H14 Cl Hg N O3 -","- C13 H13.5 Cl Hg N O3 -","- C52 H54 Cl4 Hg4 N4 O12 -","4","2","","Atta, Ananta Kumar; Kim, Seul-Bi; Heo, Jungseok; Cho, Dong-Gyu","Hg(II)-Mediated Intramolecular Cyclization Reaction in Aqueous Media and Its Application as Hg(II) Selective Indicator.","Organic letters","2013","15","5","1072","1075","10.1021/ol4000873","","","0.71073","MoKα","","0.0773","0.0453","","","0.1227","0.1459","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508958","11.06","0.003","18.268","0.005","21.576","0.006","90","","90","","90","","4359","2","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H24 N O2 P S -","- C26 H24 N O2 P S -","- C208 H192 N8 O16 P8 S8 -","8","1","","Matano, Yoshihiro; Ohkubo, Hiroshi; Honsho, Yoshihito; Saito, Arihiro; Seki, Shu; Imahori, Hiroshi","Synthesis and Charge-Carrier Transport Properties of Poly(phosphole P-alkanesulfonylimide)s.","Organic letters","2013","15","4","932","935","10.1021/ol4000982","","","0.7107","MoKα","","0.0704","0.0568","","","0.1424","0.1516","","","","","","1.044","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508959","23.455","0.0015","8.3832","0.0005","17.46","0.0011","90","","109.101","0.001","90","","3244.1","0.4","298","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C144 H144 N16 O16 S8 -","8","1","","Kong, Chen; Jana, Navendu; Driver, Tom G.","Rh(2)(II)-Catalyzed Selective Aminomethylene Migration from Styryl Azides.","Organic letters","2013","15","4","824","827","10.1021/ol400137q","","","0.71073","MoKα","","0.1078","0.0479","","","0.0939","0.1117","","","","","","0.89","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508960","15.8095","0.0018","13.1111","0.0015","8.6534","0.001","90","","98.017","0.001","90","","1776.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,4-Dimethyl-5-thiazolyl)-2-(2-cyano-1,5- dimethyl-4-pyrryl)perfluorocyclopentene","","- C17 H13 F6 N3 S -","- C17 H13 F6 N3 S -","- C68 H52 F24 N12 S4 -","4","1","","Liu, Gang; Pu, Shouzhi; Wang, Renjie","Photochromism of asymmetrical diarylethenes with a pyrrole unit: effects of aromatic stabilization energies of aryl rings.","Organic letters","2013","15","5","980","983","10.1021/ol400188h","","","0.71073","MoKα","","0.0898","0.0626","","","0.1866","0.2074","","","","","","1.356","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508961","16.432","0.002","13.0362","0.0017","8.6933","0.0012","90","","93.67","0.002","90","","1858.4","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,5-dimethyl-3-thienyl)-2-(2-cyano-1,5- dimethyl-4-pyrryl)perfluorocyclopentene","","- C18 H14 F6 N2 S -","- C18 H14 F6 N2 S -","- C72 H56 F24 N8 S4 -","4","1","","Liu, Gang; Pu, Shouzhi; Wang, Renjie","Photochromism of asymmetrical diarylethenes with a pyrrole unit: effects of aromatic stabilization energies of aryl rings.","Organic letters","2013","15","5","980","983","10.1021/ol400188h","","","0.71073","MoKα","","0.0804","0.0478","","","0.1192","0.1441","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508962","16.571","0.003","13.208","0.003","8.2626","0.0017","90","","90.383","0.002","90","","1808.4","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(1-methylphenyl)-2-(2-cyano-1,5- dimethyl-4-pyrryl)perfluorocyclopentene","","- C19 H14 F6 N2 -","- C19 H14 F6 N2 -","- C76 H56 F24 N8 -","4","1","","Liu, Gang; Pu, Shouzhi; Wang, Renjie","Photochromism of asymmetrical diarylethenes with a pyrrole unit: effects of aromatic stabilization energies of aryl rings.","Organic letters","2013","15","5","980","983","10.1021/ol400188h","","","0.71073","MoKα","","0.1535","0.0717","","","0.192","0.2481","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508963","8.0432","0.0004","16.9675","0.0007","12.9693","0.0007","90","","105.807","0.006","90","","1703.03","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2-methyl-3-pyridyl)-2-(2-cyano-1,5- dimethyl-4-pyrryl)perfluorocyclopentene","","- C18 H13 F6 N3 -","- C18 H13 F6 N3 -","- C72 H52 F24 N12 -","4","1","","Liu, Gang; Pu, Shouzhi; Wang, Renjie","Photochromism of asymmetrical diarylethenes with a pyrrole unit: effects of aromatic stabilization energies of aryl rings.","Organic letters","2013","15","5","980","983","10.1021/ol400188h","","","0.71073","MoKα","","0.063","0.0403","","","0.0992","0.115","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508964","8.4742","0.0001","11.5299","0.0002","10.6213","0.0001","90","","103.223","0.001","90","","1010.26","0.02","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C50 H48 O8 -","2","1","","Zhang, Shan-Jun; Zhang, Jun; Zhou, Qing-Qing; Dong, Lin; Chen, Ying-Chun","Aminocatalytic Asymmetric exo-Diels-Alder Reaction with Methiodide Salts of Mannich Bases and 2,4-Dienals to Construct Chiral Spirocycles.","Organic letters","2013","15","4","968","971","10.1021/ol4002015","","","1.54184","CuKα","","0.0327","0.0326","","","0.087","0.0871","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508965","16.0215","0.0015","5.7478","0.0003","19.227","0.006","90","","96.725","0.017","90","","1758.4","0.6","112","19","112","19","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 Br N2 O3 S -","- C17 H19 Br N2 O3 S -","- C68 H76 Br4 N8 O12 S4 -","4","1","","Gu, Peiming; Sun, Jian; Kang, Xiao-Yan; Yi, Ming; Li, Xue-Qiang; Xue, Ping; Li, Rui","A Formal Metal-Free N-Arylation via the Schmidt Reaction of Aromatic Aldehydes with an Azido Amine.","Organic letters","2013","15","5","1124","1127","10.1021/ol400213f","","","0.7107","MoKα","","0.0437","0.0352","","","0.0778","0.0828","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508966","12.2865","0.0019","14.517","0.002","21.752","0.003","81.286","0.003","73.769","0.003","89.591","0.003","3679.6","0.9","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H55 Cl Ir N3 P2 -","- C29 H55 Cl Ir N3 P2 -","- C116 H220 Cl4 Ir4 N12 P8 -","4","2","","Guo, Le; Liu, Yinghua; Yao, Wubing; Leng, Xuebing; Huang, Zheng","Iridium-Catalyzed Selective α-Alkylation of Unactivated Amides with Primary Alcohols.","Organic letters","2013","15","5","1144","1147","10.1021/ol400360g","","","0.71073","MoKα","","0.1561","0.073","","","0.1874","0.2311","","","","","","0.89","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508967","8.0462","0.0009","10.9096","0.0012","18.613","0.002","83.081","0.002","79.417","0.002","71.196","0.002","1517.1","0.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H54 Ir N3 P2 -","- C29 H54 Ir N3 P2 -","- C58 H108 Ir2 N6 P4 -","2","1","","Guo, Le; Liu, Yinghua; Yao, Wubing; Leng, Xuebing; Huang, Zheng","Iridium-Catalyzed Selective α-Alkylation of Unactivated Amides with Primary Alcohols.","Organic letters","2013","15","5","1144","1147","10.1021/ol400360g","","","0.71073","MoKα","","0.0464","0.0386","","","0.1128","0.1184","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508968","7.3452","0.0009","9.9405","0.0013","18.551","0.002","90","","90","","90","","1354.5","0.3","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 Br O2 -","- C16 H15 Br O2 -","- C64 H60 Br4 O8 -","4","1","","Keilitz, Juliane; Newman, Stephen G.; Lautens, Mark","Enantioselective rh-catalyzed domino transformations of alkynylcyclohexadienones with organoboron reagents.","Organic letters","2013","15","5","1148","1151","10.1021/ol400363f","","","0.71073","MoKα","","0.0282","0.0227","","","0.0374","0.0381","","","","","","0.922","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1511776","9.0462","0.0006","15.0946","0.001","14.9988","0.001","90","","102.966","0.001","90","","1995.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-(ethane-1,1-diyl)bis(1-cyanato- 2-methoxy-4-methylbenzene)","","- C21 H22 N2 O4 -","- C21 H22 N2 O4 -","- C84 H88 N8 O16 -","4","1","","Meylemans, Heather A.; Harvey, Benjamin G.; Reams, Josiah T.; Guenthner, Andrew J.; Cambrea, Lee R.; Groshens, Thomas J.; Baldwin, Lawrence C.; Garrison, Michael D.; Mabry, Joseph M.","Synthesis, characterization, and cure chemistry of renewable bis(cyanate) esters derived from 2-methoxy-4-methylphenol.","Biomacromolecules","2013","14","3","771","780","10.1021/bm3018438","","","0.71073","MoKα","","0.0553","0.0397","","","0.1005","0.1134","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511777","7.062","0.002","11.734","0.004","12.337","0.004","106.625","0.004","95.476","0.004","105.337","0.004","928.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5,5?-(ethane-1,1-diyl)bis(1-cyanato- 2-methoxy-4-methylbenzene)","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Meylemans, Heather A.; Harvey, Benjamin G.; Reams, Josiah T.; Guenthner, Andrew J.; Cambrea, Lee R.; Groshens, Thomas J.; Baldwin, Lawrence C.; Garrison, Michael D.; Mabry, Joseph M.","Synthesis, characterization, and cure chemistry of renewable bis(cyanate) esters derived from 2-methoxy-4-methylphenol.","Biomacromolecules","2013","14","3","771","780","10.1021/bm3018438","","","0.71073","MoKα","","0.0647","0.0404","","","0.0961","0.1104","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511778","17.5687","0.0012","4.777","0.0003","22.8294","0.0016","90","","112.446","0.001","90","","1770.8","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(5-cyanato-4-methoxy- 2-methylphenyl)methane","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","0.5","","Meylemans, Heather A.; Harvey, Benjamin G.; Reams, Josiah T.; Guenthner, Andrew J.; Cambrea, Lee R.; Groshens, Thomas J.; Baldwin, Lawrence C.; Garrison, Michael D.; Mabry, Joseph M.","Synthesis, characterization, and cure chemistry of renewable bis(cyanate) esters derived from 2-methoxy-4-methylphenol.","Biomacromolecules","2013","14","3","771","780","10.1021/bm3018438","","","0.71073","MoKα","","0.0789","0.0415","","","0.0917","0.1123","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511779","20.784","0.005","10.63","0.002","8.5364","0.0019","90","","90.131","0.016","90","","1886","0.7","150","0.2","150","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 F2 O4 -","- C21 H26 F2 O4 -","- C84 H104 F8 O16 -","4","1","","Han, Changho; Salyer, Amy E.; Kim, Eun Hoo; Jiang, Xinyi; Jarrard, Rachel E.; Powers, Matthew S.; Kirchhoff, Aaron M.; Salvador, Tolani K.; Chester, Julia A.; Hockerman, Gregory H.; Colby, David A.","Evaluation of Difluoromethyl Ketones as Agonists of the γ-Aminobutyric Acid Type B (GABAB) Receptor.","Journal of medicinal chemistry","2013","56","6","2456","2465","10.1021/jm301805e","","","1.54184","CU-Kα","","0.135","0.105","","","0.244","0.271","","","","","","1.023","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1511780","9.598","0.002","13.32","0.003","6.4599","0.0015","90","","90","","90","","825.9","0.3","291","2","291","2","","","","","","","","5","P c a 21","P 2c -2ac","29","KA_D_P","KA_D_P","","- C8 H4 D K O4 -","- C8 H4 D K O4 -","- C32 H16 D4 K4 O16 -","4","1","","Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J.","Proton transfer and photoluminescence intermittency of single emitters in dyed crystals.","The journal of physical chemistry. B","2013","117","16","4313","4324","10.1021/jp306392e","","","0.71073","MoKα","","0.0477","0.0403","","","0.0977","0.1038","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511781","9.6164","0.0009","13.3282","0.0013","6.4869","0.0006","90","","90","","90","","831.42","0.14","360","2","360","2","","","","","","","","5","P c a 21","P 2c -2ac","29","KA_D_P","KA_D_P","","- C8 H4 D K O4 -","- C8 H4 D K O4 -","- C32 H16 D4 K4 O16 -","4","1","","Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J.","Proton transfer and photoluminescence intermittency of single emitters in dyed crystals.","The journal of physical chemistry. B","2013","117","16","4313","4324","10.1021/jp306392e","","","0.71073","MoKα","","0.0656","0.0533","","","0.1254","0.1381","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511782","9.5955","0.0002","13.2964","0.0003","6.4663","0.0001","90","","90","","90","","825.01","0.03","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","kap20","kap20","","- C8 H5 K O4 -","- C8 H5 K O4 -","- C32 H20 K4 O16 -","4","1","","Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J.","Proton transfer and photoluminescence intermittency of single emitters in dyed crystals.","The journal of physical chemistry. B","2013","117","16","4313","4324","10.1021/jp306392e","","","0.71073","MoKα","","0.026","0.0236","","","0.0602","0.0618","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511783","9.6172","0.0006","13.3264","0.001","6.4876","0.0004","90","","90","","90","","831.47","0.1","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","kap87","kap87","","- C8 H5 K O4 -","- C8 H5 K O4 -","- C32 H20 K4 O16 -","4","1","","Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J.","Proton transfer and photoluminescence intermittency of single emitters in dyed crystals.","The journal of physical chemistry. B","2013","117","16","4313","4324","10.1021/jp306392e","","","0.71073","MoKα","","0.032","0.0271","","","0.0631","0.0653","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511784","6.1948","0.0002","15.6492","0.0006","6.2164","0.0002","90","","113.897","0.0016","90","","550.98","0.03","110","","110","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C8 H8 B F2 Li N2 O4 -","- C8 H8 B F2 Li N2 O4 -","- C16 H16 B2 F4 Li2 N4 O8 -","2","0.5","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.0548","0.0377","","","0.0956","0.1022","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511785","8.0325","0.0002","6.1722","0.0002","14.8786","0.0004","90","","90","","90","","737.65","0.04","110","","110","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C4 H3 B F2 Li N O4 -","- C4 H3 B F2 Li N O4 -","- C16 H12 B4 F8 Li4 N4 O16 -","4","0.5","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.0401","0.0303","","","0.0796","0.0845","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511786","8.0286","0.0003","6.3995","0.0002","24.6301","0.0008","90","","90","","90","","1265.47","0.07","110","","110","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C8 H9 B F2 Li N3 O4 -","- C8 H9 B F2 Li N3 O4 -","- C32 H36 B4 F8 Li4 N12 O16 -","4","0.5","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.0634","0.0406","","","0.1044","0.114","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511787","21.957","0.006","12.906","0.004","25.723","0.006","90","","122.419","0.01","90","","6153","3","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H144 B6 F12 Li6 N8 O48 -","- C84 H144 B6 F12 Li6 N8 O48 -","- C168 H288 B12 F24 Li12 N16 O96 -","2","0.5","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.0811","0.0458","","","0.0939","0.1033","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511788","8.1606","0.0002","10.7284","0.0002","12.8309","0.0003","90","","94.6107","0.0012","90","","1119.71","0.04","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 B2 F4 Li2 O17 -","- C13 H18 B2 F4 Li2 O17 -","- C26 H36 B4 F8 Li4 O34 -","2","0.5","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.0606","0.0409","","","0.094","0.1034","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511789","8.554","0.004","8.841","0.003","12.929","0.005","93.573","0.01","108.72","0.009","114.576","0.014","820.1","0.6","110","","110","","","","","","","","","6","P 1","P 1","1","","","","- C22 H42 B2 F4 Li2 O14 -","- C22 H42 B2 F4 Li2 O14 -","- C22 H42 B2 F4 Li2 O14 -","1","1","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.1254","0.0595","","","0.1532","0.1813","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511790","25.731","0.008","8.467","0.003","16.921","0.004","90","","118.327","0.01","90","","3245","1.7","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 B F2 Li O8 -","- C10 H20 B F2 Li O8 -","- C80 H160 B8 F16 Li8 O64 -","8","1","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.0712","0.0399","","","0.0905","0.1027","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511791","6.443","0.0008","6.2831","0.0007","12.1294","0.0016","90","","97.91","0.008","90","","486.35","0.1","110","","110","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C6 H6 B F2 Li O7 -","- C4.5 H6 B F2 Li O7 -","- C9 H12 B2 F4 Li2 O14 -","2","0.5","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.047","0.0378","","","0.1198","0.1273","","","","","","1.177","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511792","13.626","0.005","8.717","0.003","18.413","0.007","90","","130.986","0.009","90","","1650.9","1.1","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H23 B F2 Li N3 O4 -","- C11 H23 B F2 Li N3 O4 -","- C44 H92 B4 F8 Li4 N12 O16 -","4","1","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.0778","0.0407","","","0.0905","0.1039","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511793","8.58","0.003","7.781","0.002","13.926","0.005","90","","90","","90","","929.7","0.5","110","","110","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C6 H4 B F2 Li N2 O4 -","- C6 H4 B F2 Li N2 O4 -","- C24 H16 B4 F8 Li4 N8 O16 -","4","0.5","","Han, Sang-Don; Allen, Joshua L.; Jónsson, Erlendur; Johansson, Patrik; McOwen, Dennis W.; Boyle, Paul D.; Henderson, Wesley A.","Solvate Structures and Computational/Spectroscopic Characterization of Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes","The Journal of Physical Chemistry C","2013","117","11","5521","","10.1021/jp309102c","","","0.71073","MoKα","","0.0455","0.0351","","","0.0945","0.1002","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511794","14.0557","0.0003","11.4779","0.0003","19.3737","0.0013","90","","98.905","0.007","90","","3087.9","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Adamantyl mesityl BODIPY","4,4-Difluoro-3,5-di-(adamantyl)-8-mesityl-4-bora-3a,4a-diaza-s-indacene","","- C38 H45 B F2 N2 -","- C38 H45 B F2 N2 -","- C152 H180 B4 F8 N8 -","4","1","","Vu, Thanh Truc; Dvorko, Marina; Schmidt, Elena Y.; Audibert, Jean-Frédéric; Retailleau, Pascal; Trofimov, Boris A.; Pansu, Robert B.; Clavier, Gilles; Méallet-Renault, Rachel","Understanding the Spectroscopic Properties and Aggregation Process of a New Emitting Boron Dipyrromethene (BODIPY)","The Journal of Physical Chemistry C","2013","117","10","5373","","10.1021/jp3097555","","","1.54187","CuKα","","0.0616","0.0491","","","0.1383","0.1488","","","","","","1.152","","","","has coordinates","177004","2020-10-21","18:00:00",""
"1511795","27.724","0.002","3.8968","0.0003","11.6473","0.0009","90","","90","","90","","1258.31","0.16","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H8 O2 S3 -","- C14 H8 O2 S3 -","- C56 H32 O8 S12 -","4","1","","Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D.","Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules","The Journal of Physical Chemistry C","2013","117","12","6022","","10.1021/jp310555b","","","0.71073","MoKα","","0.0265","0.0244","","","0.0616","0.0629","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511796","7.2737","0.0009","4.7577","0.0005","13.719","0.0017","90","","96.938","0.004","90","","471.28","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 O2 S2 -","- C10 H6 O2 S2 -","- C20 H12 O4 S4 -","2","0.5","","Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D.","Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules","The Journal of Physical Chemistry C","2013","117","12","6022","","10.1021/jp310555b","","","0.71073","MoKα","","0.037","0.0337","","","0.1021","0.1068","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511797","17.4433","0.0008","7.3062","0.0003","11.3446","0.0005","90","","92.185","0.002","90","","1444.75","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 O4 S3 -","- C16 H8 O4 S3 -","- C64 H32 O16 S12 -","4","1","","Zhou, Weidong; Hernández-Burgos, Kenneth; Burkhardt, Stephen E.; Qian, Hualei; Abru Héctor D.","Synthesis and Electrochemical and Computational Analysis of Two New Families of Thiophene-Carbonyl Molecules","The Journal of Physical Chemistry C","2013","117","12","6022","","10.1021/jp310555b","","","0.71073","MoKα","","0.0499","0.0356","","","0.0972","0.107","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511798","39.3141","0.0014","15.2065","0.0005","10.3691","0.0003","90","","103.575","0.002","90","","6025.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H72 N6 S8 Si -","- C62 H38 N6 S8 Si -","- C248 H152 N24 S32 Si4 -","4","0.5","","Zhugayevych, Andriy; Postupna, Olena; Bakus II, Ronald C.; Welch, Gregory C.; Bazan, Guillermo C.; Tretiak, Sergei","Ab Initio Study of a Molecular Crystal for Photovoltaics: Light Absorption, Exciton and Charge Carrier Transport","The Journal of Physical Chemistry C","2013","117","10","4920","","10.1021/jp310855p","","","0.71073","MoKα","","0.0973","0.0711","","","0.1716","0.1847","","","","","","1.325","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511799","11.8679","0.0002","11.8679","","11.8679","","90","","90","","90","","1671.56","0.03","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","CO-hydrate","","","- C3.665 D45.54 O30.33 -","- C3.664 D45.54 O30.332 -","- C7.328 D91.08 O60.664 -","2","0.0416667","","Falenty, A.; Salamatin, A. N.; Kuhs, W. F.","Kinetics of CO2-Hydrate Formation from Ice Powders: Data Summary and Modeling Extended to Low Temperatures","The Journal of Physical Chemistry C","2013","117","16","8443","","10.1021/jp310972b","","neutron","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511800","10.076","0.0004","8.291","0.0004","14.934","0.0004","90","","99.516","0.002","90","","1230.42","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 O P S3 -","- C12 H7 O P S3 -","- C48 H28 O4 P4 S12 -","4","1","","Ren, Yi; Biegger, Felix; Baumgartner, Thomas","Molecular Engineering of the Physical Properties of Highly Luminescent π-Conjugated Phospholes","The Journal of Physical Chemistry C","2013","117","9","4748","","10.1021/jp3115012","","","0.71073","MoKα","","0.0501","0.0419","","","0.129","0.1535","","","","","","1.292","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511801","3.8208","0.001","11.912","0.007","6.388","0.003","90","","91.11","0.03","90","","290.7","0.2","295","2","295","2","","","3300000","","","","","2","P 1 21/n 1","-P 2yn","14","propane","propane","","- C3 H8 -","- C3 H8 -","- C12 H32 -","4","1","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Why Propane?","The Journal of Physical Chemistry C","2013","117","9","4759","","10.1021/jp311747m","","","0.71073","MoKα","","0.0526","0.0453","","","0.0829","0.0857","","","","","","1.188","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511802","3.8036","0.0005","11.858","0.008","6.3628","0.0008","90","","91.083","0.01","90","","286.9","0.2","295","2","295","2","","","3690000","","","","","2","P 1 21/n 1","-P 2yn","14","propane","propane","","- C3 H8 -","- C3 H8 -","- C12 H32 -","4","1","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Why Propane?","The Journal of Physical Chemistry C","2013","117","9","4759","","10.1021/jp311747m","","","0.71073","MoKα","","0.0436","0.0388","","","0.0888","0.0904","","","","","","1.309","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511803","3.7895","0.0004","11.825","0.01","6.34","0.0007","90","","91.096","0.009","90","","284","0.2","295","2","295","2","","","3960000","","","","","2","P 1 21/n 1","-P 2yn","14","propane","propane","","- C3 H8 -","- C3 H8 -","- C12 H32 -","4","1","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Why Propane?","The Journal of Physical Chemistry C","2013","117","9","4759","","10.1021/jp311747m","","","0.71073","MoKα","","0.0638","0.055","","","0.0862","0.0907","","","","","","1.305","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511804","3.7633","0.0012","11.778","0.004","6.305","0.008","90","","90.85","0.05","90","","279.4","0.4","295","2","295","2","","","4430000","","","","","2","P 1 21/n 1","-P 2yn","14","propane","propane","","- C3 H8 -","- C3 H8 -","- C12 H32 -","4","1","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Why Propane?","The Journal of Physical Chemistry C","2013","117","9","4759","","10.1021/jp311747m","","","0.71073","MoKα","","0.0739","0.0651","","","0.1351","0.1398","","","","","","1.285","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511805","3.762","0.002","11.781","0.006","6.281","0.007","90","","90.84","0.06","90","","278.3","0.4","295","2","295","2","","","4490000","","","","","2","P 1 21/n 1","-P 2yn","14","propane","propane","","- C3 H8 -","- C3 H8 -","- C12 H32 -","4","1","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Why Propane?","The Journal of Physical Chemistry C","2013","117","9","4759","","10.1021/jp311747m","","","0.71073","MoKα","","0.0802","0.072","","","0.1111","0.1142","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511806","3.722","0.005","11.676","0.011","6.212","0.007","90","","90.86","0.09","90","","269.9","0.5","295","2","295","2","","","5350000","","","","","2","P 1 21/n 1","-P 2yn","14","propane","propane","","- C3 H8 -","- C3 H8 -","- C12 H32 -","4","1","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Why Propane?","The Journal of Physical Chemistry C","2013","117","9","4759","","10.1021/jp311747m","","","0.71073","MoKα","","0.0722","0.056","","","0.0844","0.0898","","","","","","1.189","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511807","3.689","0.003","11.651","0.009","6.151","0.005","90","","90.48","0.07","90","","264.4","0.4","295","2","295","2","","","5930000","","","","","2","P 1 21/n 1","-P 2yn","14","propane","propane","","- C3 H8 -","- C3 H8 -","- C12 H32 -","4","1","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Why Propane?","The Journal of Physical Chemistry C","2013","117","9","4759","","10.1021/jp311747m","","","0.71073","MoKα","","0.092","0.0764","","","0.1072","0.1125","","","","","","1.392","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511808","5.416","0.005","4.893","0.004","7.294","0.007","90","","104.78","0.08","90","","186.9","0.3","295","2","295","2","","","2500000","","","","","2","P 1 21/c 1","-P 2ybc","14","butane","butane phase II","","- C4 H10 -","- C4 H10 -","- C8 H20 -","2","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Why Propane?","The Journal of Physical Chemistry C","2013","117","9","4759","","10.1021/jp311747m","","","0.71073","MoKα","","0.1059","0.0634","","","0.0954","0.1112","","","","","","1.259","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511809","5.408","0.003","4.887","0.003","7.275","0.01","90","","104.65","0.11","90","","186","0.3","295","2","295","2","","","2600000","","","","","2","P 1 21/c 1","-P 2ybc","14","butane","butane phase II","","- C4 H10 -","- C4 H10 -","- C8 H20 -","2","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Why Propane?","The Journal of Physical Chemistry C","2013","117","9","4759","","10.1021/jp311747m","","","0.71073","MoKα","","0.0664","0.0571","","","0.0867","0.0905","","","","","","1.264","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511810","5.344","0.008","4.833","0.007","7.15","0.008","90","","104.63","0.12","90","","178.7","0.4","295","2","295","2","","","3440000","","","","","2","P 1 21/c 1","-P 2ybc","14","butane","butane phase II","","- C4 H10 -","- C4 H10 -","- C8 H20 -","2","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Why Propane?","The Journal of Physical Chemistry C","2013","117","9","4759","","10.1021/jp311747m","","","0.71073","MoKα","","0.0661","0.049","","","0.0912","0.0998","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511811","5.267","0.013","4.759","0.01","7.05","0.012","90","","103.85","0.18","90","","171.6","0.6","295","2","295","2","","","4660000","","","","","2","P 1 21/c 1","-P 2ybc","14","butane","butane phase II","","- C4 H10 -","- C4 H10 -","- C8 H20 -","2","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Why Propane?","The Journal of Physical Chemistry C","2013","117","9","4759","","10.1021/jp311747m","","","0.71073","MoKα","","0.0776","0.0652","","","0.1352","0.1414","","","","","","1.211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511812","5.236","0.006","4.735","0.006","6.912","0.013","90","","104.11","0.13","90","","166.2","0.4","295","2","295","2","","","5790000","","","","","2","P 1 21/c 1","-P 2ybc","14","butane","butane phase II","","- C4 H10 -","- C4 H10 -","- C8 H20 -","2","0.5","","Podsiadło, Marcin; Olejniczak, Anna; Katrusiak, Andrzej","Why Propane?","The Journal of Physical Chemistry C","2013","117","9","4759","","10.1021/jp311747m","","","0.71073","MoKα","","0.092","0.0677","","","0.1012","0.113","","","","","","1.348","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511813","12.28","0.0006","15.6586","0.0006","23.5675","0.0014","76.397","0.004","78.217","0.005","74.138","0.004","4189.2","0.4","120","1","120","1","","","","","","","see text","3","P -1","-P 1","2","","","","- C52 H50 O2 -","- C52 H49 O2 -","- C208 H196 O8 -","4","2","","Kumar, Shiv; Venkatramaiah, N.; Patil, Satish","Fluoranthene Based Derivatives for Detection of Trace Explosive Nitroaromatics","The Journal of Physical Chemistry C","2013","117","14","7236","","10.1021/jp3121148","","x-ray","0.71073","MoKα","","0.1906","0.1482","","","0.3851","0.4029","","","","","","2.166","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511814","12.4695","0.0004","25.1015","0.0005","16.1011","0.0005","90","","107.8","0.003","90","","4798.4","0.2","120","1","120","1","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 O2 -","- C60 H64 O2 -","- C240 H256 O8 -","4","1","","Kumar, Shiv; Venkatramaiah, N.; Patil, Satish","Fluoranthene Based Derivatives for Detection of Trace Explosive Nitroaromatics","The Journal of Physical Chemistry C","2013","117","14","7236","","10.1021/jp3121148","","x-ray","0.71073","MoKα","","0.0913","0.0664","","","0.1878","0.2079","","","","","","1.268","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511815","4.3315","0.0002","14.4396","0.0005","9.5617","0.0004","90","","90.8638","0.0007","90","","597.97","0.04","90","1","90","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N2 O S -","- C5 H6 N2 O S -","- C20 H24 N8 O4 S4 -","4","1","","Jarzembska, Katarzyna N.; Kamiński, Radosław; Wenger, Emmanuel; Lecomte, Claude; Dominiak, Paulina M.","Interplay between Charge Density Distribution, Crystal Structure Energetic Features, and Crystal Morphology of 6-Methyl-2-thiouracil","The Journal of Physical Chemistry C","2013","117","15","7764","","10.1021/jp312158m","","","0.71073","MoKα","","0.0128","0.0128","","","0.0171","0.0171","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511816","4.3135","0.0007","14.432","0.003","9.5548","0.0018","90","","91.17","0.006","90","","594.69","0.19","10","1","10","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N2 O S -","- C5 H6 N2 O S -","- C20 H24 N8 O4 S4 -","4","1","","Jarzembska, Katarzyna N.; Kamiński, Radosław; Wenger, Emmanuel; Lecomte, Claude; Dominiak, Paulina M.","Interplay between Charge Density Distribution, Crystal Structure Energetic Features, and Crystal Morphology of 6-Methyl-2-thiouracil","The Journal of Physical Chemistry C","2013","117","15","7764","","10.1021/jp312158m","","","0.71073","MoKα","","0.0217","0.0217","","","0.0223","0.0223","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511817","6.663","0.005","6.883","0.005","12.477","0.009","94.702","0.01","94.348","0.014","103.397","0.011","552.1","0.7","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","Exalite 351","","- C28 H34 -","- C28 H34 -","- C28 H34 -","1","0.5","","Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M.","Systematic Molecular Design ofp-Phenylene Lasing Properties","The Journal of Physical Chemistry C","2013","117","16","8429","","10.1021/jp401004m","","","0.71073","MoKα","","0.054","0.0512","","","","0.1475","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511818","8.7787","0.0017","15.673","0.003","10.689","0.002","90","","102.668","0.003","90","","1434.9","0.5","120","2","120","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","Exalite 384","","- C38 H42 -","- C38 H42 -","- C76 H84 -","2","0.5","","Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M.","Systematic Molecular Design ofp-Phenylene Lasing Properties","The Journal of Physical Chemistry C","2013","117","16","8429","","10.1021/jp401004m","","","0.71073","MoKα","","0.051","0.0477","","","","0.1311","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511819","9.862","0.003","49.707","0.015","10.319","0.003","90","","93.959","0.005","90","","5046","3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Exalite 389","","- C33 H34 O2 -","- C33 H34 O2 -","- C264 H272 O16 -","8","2","","Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M.","Systematic Molecular Design ofp-Phenylene Lasing Properties","The Journal of Physical Chemistry C","2013","117","16","8429","","10.1021/jp401004m","","","0.71073","MoKα","","0.0846","0.06","","","","0.174","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511820","12.824","0.004","16.877","0.005","25.494","0.007","103.863","0.004","91.782","0.003","108.619","0.003","5042","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Exalite 400E","","- C50 H70 Na2 O14 S2 -","- C50 H70 Na2 O14 S2 -","- C200 H280 Na8 O56 S8 -","4","2","","Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M.","Systematic Molecular Design ofp-Phenylene Lasing Properties","The Journal of Physical Chemistry C","2013","117","16","8429","","10.1021/jp401004m","","","0.71073","MoKα","","0.1066","0.0914","","","","0.2559","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511821","7.617","0.002","10.296","0.003","13.249","0.004","72.923","0.012","75.218","0.013","76.43","0.014","945.9","0.5","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","Exalite 404","","- C50 H58 -","- C50 H58 -","- C50 H58 -","1","0.5","","Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M.","Systematic Molecular Design ofp-Phenylene Lasing Properties","The Journal of Physical Chemistry C","2013","117","16","8429","","10.1021/jp401004m","","","0.71073","MoKα","","0.0512","0.0483","","","","0.1307","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511822","15.938","0.003","11.092","0.002","23.495","0.005","90","0.005","104.583","0.003","90","0.003","4019.7","1.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Exalite 416","","- C52 H54 O2 -","- C52 H54 O2 -","- C208 H216 O8 -","4","1","","Merz, Tyler A.; Waddell, Paul G.; Cole, Jacqueline M.","Systematic Molecular Design ofp-Phenylene Lasing Properties","The Journal of Physical Chemistry C","2013","117","16","8429","","10.1021/jp401004m","","","0.71073","MoKα","","0.0694","0.0602","","","","0.1434","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511823","7.3625","0.0003","7.3625","0.0003","30.591","0.001","90","","90","","90","","1658.23","0.11","130","2","130","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H20 Cd N6 O6 -","- C12 H20 Cd N6 O6 -","- C48 H80 Cd4 N24 O24 -","4","0.5","","Colaneri, Michael J.; Vitali, Jacqueline; Kirschbaum, Kristin","Electron Paramagnetic Resonance Spectroscopic Study of Copper Hopping in Doped Bis(l-histidinato)cadmium Dihydrate.","The journal of physical chemistry. A","2013","117","16","3414","3427","10.1021/jp401477m","","","0.71073","MoKα","","0.0252","0.0249","","","0.0622","0.0624","","","","","","1.197","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511824","7.3515","0.0007","7.3515","0.0007","30.456","0.003","90","","90","","90","","1646","0.3","200","2","200","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H20 Cd N6 O6 -","- C12 H20 Cd N6 O6 -","- C48 H80 Cd4 N24 O24 -","4","0.5","","Colaneri, Michael J.; Vitali, Jacqueline; Kirschbaum, Kristin","Electron Paramagnetic Resonance Spectroscopic Study of Copper Hopping in Doped Bis(l-histidinato)cadmium Dihydrate.","The journal of physical chemistry. A","2013","117","16","3414","3427","10.1021/jp401477m","","","0.71073","MoKα","","0.0247","0.0244","","","0.0606","0.0607","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511825","5.59928","0.0001","24.2233","0.0005","19.9883","0.0004","90","","91.9071","0.0008","90","","2709.57","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3.3333 N6 O2.6667 -","- C8 H3.33333 N6 O2.66667 -","- C96 H40 N72 O32 -","12","3","","Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki","Structural and Spectroscopic Study of 6,7-Dicyano-Substituted Lumazine with High Electron Affinity and Proton Acidity","The Journal of Physical Chemistry A","2013","117","17","3614","","10.1021/jp401528c","","","1.54187","CuKα","","","0.0397","","","","0.1121","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511826","12.4315","0.0005","25.1447","0.0012","7.779","0.0003","90","","90","","90","","2431.61","0.18","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H25 N9 O2 -","- C26 H25 N9 O2 -","- C104 H100 N36 O8 -","4","1","","Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki","Structural and Spectroscopic Study of 6,7-Dicyano-Substituted Lumazine with High Electron Affinity and Proton Acidity","The Journal of Physical Chemistry A","2013","117","17","3614","","10.1021/jp401528c","","","1.54187","CuKα","","","0.0476","","","","0.081","","","","","","0.869","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511827","7.098","0.00017","8.88601","0.00016","17.7107","0.0004","91.29","0.001","94.207","0.0012","93.309","0.0011","1111.8","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N9 O2 -","- C23 H26 N9 O2 -","- C46 H52 N18 O4 -","2","1","","Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki","Structural and Spectroscopic Study of 6,7-Dicyano-Substituted Lumazine with High Electron Affinity and Proton Acidity","The Journal of Physical Chemistry A","2013","117","17","3614","","10.1021/jp401528c","","","1.54187","CuKα","","","0.063","","","","0.2047","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511828","12.4709","0.0003","6.73238","0.00012","15.9897","0.0003","90","","113.534","0.0007","90","","1230.81","0.04","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 N6 O2 S2 -","- C11 H4 N6 O2 S2 -","- C44 H16 N24 O8 S8 -","4","1","","Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki","Structural and Spectroscopic Study of 6,7-Dicyano-Substituted Lumazine with High Electron Affinity and Proton Acidity","The Journal of Physical Chemistry A","2013","117","17","3614","","10.1021/jp401528c","","","1.54187","CuKα","","","0.0361","","","","0.0954","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511829","19.5748","0.0004","12.6306","0.0003","10.3215","0.0003","90","","95.1121","0.0012","90","","2541.75","0.11","100","","100","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C24 H37 N7 O2 -","- C24 H37 N7 O2 -","- C96 H148 N28 O8 -","4","0.5","","Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki","Structural and Spectroscopic Study of 6,7-Dicyano-Substituted Lumazine with High Electron Affinity and Proton Acidity","The Journal of Physical Chemistry A","2013","117","17","3614","","10.1021/jp401528c","","","1.54187","CuKα","","","0.0762","","","","0.2391","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511830","9.676","0.002","16.2","0.007","9.8866","0.0019","90","","90","","90","","1549.7","0.8","296","2","296","2","50000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.2142","0.1421","","","0.329","0.3704","","","","","","1.297","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511831","9.66","0.004","16.126","0.006","9.753","0.004","90","","90","","90","","1519.3","1.1","296","2","296","2","190000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.1749","0.1226","","","0.278","0.3054","","","","","","1.38","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511832","9.676","0.002","16.179","0.011","9.627","0.003","90","","90","","90","","1507.1","1.2","296","2","296","2","330000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.2108","0.2046","","","0.3718","0.3743","","","","","","1.398","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511833","9.634","0.005","16.132","0.007","9.466","0.004","90","","90","","90","","1471.2","1.2","296","2","296","2","480000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.263","0.2416","","","0.3427","0.3543","","","","","","1.39","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511834","9.637","0.002","16.135","0.008","9.365","0.002","90","","90","","90","","1456.2","0.8","296","2","296","2","650000","","","","","","","3","P b c a","-P 2ac 2ab","61","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","1","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.2116","0.1374","","","0.2624","0.2908","","","","","","1.403","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511835","5.825","0.002","28.908","0.011","8.224","0.006","90","","93.03","0.04","90","","1382.9","1.2","296","2","296","2","760000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.2242","0.2052","","","0.4101","0.4214","","","","","","1.335","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511836","5.8185","0.001","28.941","0.015","8.173","0.0019","90","","93.01","0.017","90","","1374.4","0.8","296","2","296","2","860000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.2431","0.2278","","","0.4361","0.4474","","","","","","1.307","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511837","5.806","0.003","28.807","0.019","8.05","0.009","90","","93.12","0.07","90","","1344.4","1.9","296","2","296","2","1090000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.2992","0.2766","","","0.5369","0.5544","","","","","","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511838","5.786","0.003","28.65","0.02","7.924","0.004","90","","93.44","0.04","90","","1311.2","1.3","296","2","296","2","1360000","","","","","","","3","P 1 21/c 1","-P 2ybc","14","mandelic_acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C64 H64 O24 -","8","2","","Cai, Weizhao; Marciniak, Jędrzej; Andrzejewski, Michał; Katrusiak, Andrzej","Pressure Effect ond,l-Mandelic Acid Racemate Crystallization","The Journal of Physical Chemistry C","2013","117","14","7279","","10.1021/jp401626a","","","0.71073","MoKα","","0.2938","0.2666","","","0.5224","0.5412","","","","","","1.266","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511839","9.4097","0.0008","16.5333","0.0014","17.4411","0.0014","90","","103.276","0.001","90","","2640.9","0.4","132","2","132","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26.5 H30 Cl3 N O S Ti -","- C26.5 H29.5 Cl3 N O S Ti -","- C106 H118 Cl12 N4 O4 S4 Ti4 -","4","1","","Chen, Zhou; Li, Jun-Fang; Tao, Wen-Jie; Sun, Xiu-Li; Yang, Xiao-Hong; Tang, Yong","Copolymerization of Ethylene with Functionalized Olefins by [ONX] Titanium Complexes","Macromolecules","2013","46","7","2870","","10.1021/ma400283p","","","0.71073","MoKα","","0.0335","0.0278","","","0.0717","0.0771","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511840","12.07","0.01","7.88","0.006","14.734","0.012","90","","93.781","0.009","90","","1398.3","1.9","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Ma, Yan-Yan; Zhao, Deng-Gao; Gao, Kun","Structural Investigation and Biological Activity of Sesquiterpene Lactones from the Traditional Chinese HerbInula racemosa","Journal of Natural Products","2013","76","4","564","","10.1021/np300742d","","","0.71073","MoKα","","0.1102","0.0489","","","0.0861","0.1068","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511841","6.422","0.004","11.87","0.007","9.689","0.006","90","","103.415","0.006","90","","718.4","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 Cl O4 -","- C15 H21 Cl O4 -","- C30 H42 Cl2 O8 -","2","1","","Ma, Yan-Yan; Zhao, Deng-Gao; Gao, Kun","Structural Investigation and Biological Activity of Sesquiterpene Lactones from the Traditional Chinese HerbInula racemosa","Journal of Natural Products","2013","76","4","564","","10.1021/np300742d","","","0.71073","MoKα","","0.059","0.0397","","","0.0693","0.076","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511842","6.155","0.008","11.287","0.015","9.836","0.013","90","","96.098","0.014","90","","679.5","1.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Ma, Yan-Yan; Zhao, Deng-Gao; Gao, Kun","Structural Investigation and Biological Activity of Sesquiterpene Lactones from the Traditional Chinese HerbInula racemosa","Journal of Natural Products","2013","76","4","564","","10.1021/np300742d","","","0.71073","MoKα","","0.0741","0.0523","","","0.116","0.1282","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511843","8.379","0.006","9.018","0.006","19.545","0.014","90","","90","","90","","1476.9","1.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Ma, Yan-Yan; Zhao, Deng-Gao; Gao, Kun","Structural Investigation and Biological Activity of Sesquiterpene Lactones from the Traditional Chinese HerbInula racemosa","Journal of Natural Products","2013","76","4","564","","10.1021/np300742d","","","0.71073","MoKα","","0.0625","0.0455","","","0.0908","0.0999","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511844","12.88614","0.00012","12.34409","0.00007","14.84644","0.00013","90","","110.476","0.001","90","","2212.38","0.03","100.05","0.1","100.05","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 O8 -","- C25 H30 O8 -","- C100 H120 O32 -","4","1","","Harinantenaina, Liva; Bowman, Jessica D.; Brodie, Peggy J.; Slebodnick, Carla; Callmander, Martin W.; Rakotobe, Etienne; Randrianaivo, Richard; Rasamison, Vincent E.; Gorka, Alexander; Roepe, Paul D.; Cassera, Maria B.; Kingston, David G. I.","Antiproliferative and antiplasmodial dimeric phloroglucinols from Mallotus oppositifolius from the Madagascar Dry Forest (1).","Journal of natural products","2013","76","3","388","393","10.1021/np300750q","","x-ray","1.54178","CuKα","","0.0374","0.0367","","","0.0973","0.0979","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511845","9.4459","0.001","12.5596","0.0009","16.2541","0.0013","90","","104.867","0.01","90","","1863.8","0.3","100.5","","100.5","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O8 -","- C21 H24 O8 -","- C84 H96 O32 -","4","1","","Harinantenaina, Liva; Bowman, Jessica D.; Brodie, Peggy J.; Slebodnick, Carla; Callmander, Martin W.; Rakotobe, Etienne; Randrianaivo, Richard; Rasamison, Vincent E.; Gorka, Alexander; Roepe, Paul D.; Cassera, Maria B.; Kingston, David G. I.","Antiproliferative and antiplasmodial dimeric phloroglucinols from Mallotus oppositifolius from the Madagascar Dry Forest (1).","Journal of natural products","2013","76","3","388","393","10.1021/np300750q","","x-ray","1.54178","CuKα","","0.0803","0.0568","","","0.1496","0.1695","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511846","8.4324","0.0002","16.6283","0.0003","10.8816","0.0002","90","","96.174","0.001","90","","1516.93","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H42 O8 -","- C35 H42 O8 -","- C70 H84 O16 -","2","1","","Wang, Luo-Yi; Wu, Jian; Yang, Zhuo; Wang, Xu-Jie; Fu, Yan; Liu, Shuang-Zhu; Wang, Hong-Min; Zhu, Wei-Liang; Zhang, Hai-Yan; Zhao, Wei-Min","(M)- and (P)-Bicelaphanol A, Dimeric Trinorditerpenes with Promising Neuroprotective Activity fromCelastrus orbiculatus","Journal of Natural Products","2013","76","4","745","","10.1021/np3008182","","","1.54178","CuKα","","0.0282","0.0279","","","0.0864","0.087","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511847","11.3275","0.0002","7.8127","0.0001","13.6034","0.0002","90","","90.954","0.001","90","","1203.71","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N5 O5 -","- C27 H29 N5 O5 -","- C54 H58 N10 O10 -","2","1","","Shao, Chang-Lun; Xu, Ru-Fang; Wei, Mei-Yan; She, Zhi-Gang; Wang, Chang-Yun","Structure and Absolute Configuration of Fumiquinazoline L, an Alkaloid from a Gorgonian-DerivedScopulariopsissp. Fungus","Journal of Natural Products","2013","76","4","779","","10.1021/np4002042","","","1.54178","CuKα","","0.0285","0.0281","","","0.0749","0.0751","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511848","7.628","0.004","16.031","0.009","16.085","0.009","105.723","0.009","95.4081","0.001","96.799","0.008","1863.5","1.8","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","2","","Ogata, Kenichi; Shimada, Daisuke; Furuya, Shouichi; Fukuzawa, Shin-ichi","Nickel-catalyzed ring-opening alkylative coupling of enone with methylenecyclopropane in the presence of triethylborane.","Organic letters","2013","15","6","1182","1185","10.1021/ol303548x","","","0.71075","MoKα","","0.123","0.0837","","","0.175","0.1981","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511849","15.6976","0.0007","25.2314","0.001","35.5709","0.0017","90","","94.636","0.003","90","","14042.6","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32.5 H47.625 N8 O5.6875 -","- C32.5 H47.625 N8 O5.6875 -","- C520 H762 N128 O91 -","16","8","","Chouhan, Gagan; James, Keith","Efficient construction of proline-containing β-turn mimetic cyclic tetrapeptides via CuAAC macrocyclization.","Organic letters","2013","15","6","1206","1209","10.1021/ol303572t","","","1.54178","CuKα","","0.1237","0.0875","","","0.2341","0.2691","","","","","","1.02","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1511850","17.5134","0.0004","17.8594","0.0003","24.2187","0.0005","90","","90","","90","","7575.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34.375 H52.25 Cl N8 O6.25 -","- C34.375 H52.25 Cl N8 O6.25 -","- C275 H418 Cl8 N64 O50 -","8","2","","Chouhan, Gagan; James, Keith","Efficient construction of proline-containing β-turn mimetic cyclic tetrapeptides via CuAAC macrocyclization.","Organic letters","2013","15","6","1206","1209","10.1021/ol303572t","","","1.54178","CuKα","","0.0594","0.0509","","","0.124","0.1309","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511851","15.0672","0.0003","15.6539","0.0004","17.4818","0.0004","97.737","0.001","99.263","0.001","97.544","0.001","3982.82","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C36.25 H54 F3 N8 O6.25 -","- C36.25 H54 F3 N8 O6.25 -","- C145 H216 F12 N32 O25 -","4","4","","Chouhan, Gagan; James, Keith","Efficient construction of proline-containing β-turn mimetic cyclic tetrapeptides via CuAAC macrocyclization.","Organic letters","2013","15","6","1206","1209","10.1021/ol303572t","","","1.54178","CuKα","","0.0743","0.0653","","","0.1746","0.1832","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511852","14.599","0.004","7.637","0.0019","20.16","0.005","90","","102.416","0.003","90","","2195.1","1","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O7 S -","- C22 H22 Br N O7 S -","- C88 H88 Br4 N4 O28 S4 -","4","2","","Yang, Wen; Yang, Yi; Du, Da-Ming","Squaramide-tertiary amine catalyzed asymmetric cascade sulfa-Michael/Michael addition via dynamic kinetic resolution: access to highly functionalized chromans with three contiguous stereocenters.","Organic letters","2013","15","6","1190","1193","10.1021/ol400025a","","","0.71073","MoKα","","0.0636","0.0585","","","0.1328","0.1382","","","","","","0.998","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1511853","11.3882","0.0014","12.763","0.009","13.2168","0.0001","86.38","0.19","79.81","0.18","72.19","0.16","1800","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","RUPCY","dichlorobis(dicyclohexylphosphinomethylpyridine)-ruthenium(II)","","- C36 H56 Cl2 N2 P2 Ru -","- C36 H56 Cl2 N2 P2 Ru -","- C72 H112 Cl4 N4 P4 Ru2 -","2","1","","Iida, Kazuki; Miura, Takashi; Ando, Junki; Saito, Susumu","The Dual Role of Ruthenium and Alkali Base Catalysts in Enabling a Conceptually New Shortcut toN-Unsubstituted Pyrroles through Unmasked α-Amino Aldehydes","Organic Letters","2013","15","7","1436","","10.1021/ol4001262","","","0.7107","MoKα","","0.093","0.0616","","","0.135","0.163","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511854","13.9811","0.0005","14.0204","0.0005","15.849","0.0006","90","","95.903","0.003","90","","3090.3","0.2","100.01","0.1","100.01","0.1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 -","- C36 H50 -","- C144 H200 -","4","0.5","","Wei, Junnian; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng","Construction of octaalkyl-substituted and decasubstituted all-cis-octatetraenes via linear dimerization of 1,4-dicopper-1,3-butadienes and subsequent cross-coupling with halides.","Organic letters","2013","15","6","1222","1225","10.1021/ol400140n","","","0.7107","MoKα","","0.0495","0.0425","","","0.0994","0.1048","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511855","9.87","0.002","9.2819","0.0019","18.478","0.004","90","","93.06","0.03","90","","1690.4","0.6","173","2","173","2","","","","","","","","2","P 1 2/n 1","-P 2yac","13","","","","- C40 H54 -","- C40 H54 -","- C80 H108 -","2","0.5","","Wei, Junnian; Wang, Zitao; Zhang, Wen-Xiong; Xi, Zhenfeng","Construction of octaalkyl-substituted and decasubstituted all-cis-octatetraenes via linear dimerization of 1,4-dicopper-1,3-butadienes and subsequent cross-coupling with halides.","Organic letters","2013","15","6","1222","1225","10.1021/ol400140n","","","0.71073","MoKα","","0.0612","0.0546","","","0.1261","0.1311","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511856","6.5377","0.0006","8.3477","0.0007","34.271","0.003","90","","90","","90","","1870.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Cl N2 O2 -","- C21 H22 Cl N2 O2 -","- C84 H88 Cl4 N8 O8 -","4","1","","León, Brian; Fong, Jiunn C. N.; Peach, Kelly C.; Wong, Weng Ruh; Yildiz, Fitnat H.; Linington, Roger G.","Development of quinoline-based disruptors of biofilm formation against Vibrio cholerae.","Organic letters","2013","15","6","1234","1237","10.1021/ol400150z","","","0.71073","MoKα","","0.0463","0.0382","","","0.0985","0.1047","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511857","6.2683","0.0005","10.5563","0.0017","13.972","0.002","92.725","0.002","101.373","0.003","105.089","0.002","870.3","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C40 H36 N4 O12 -","2","1","","Lin, Wei; Dou, Guo-Lan; Hu, Ming-Hua; Cao, Cheng-Pao; Huang, Zhi-Bin; Shi, Da-Qing","Facile, efficient, and diastereoselective synthesis of heterohelicene-like molecules.","Organic letters","2013","15","6","1238","1241","10.1021/ol400154j","","","0.71073","MoKα","","0.1172","0.0624","","","0.1544","0.1797","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511858","11.735","0.003","13.252","0.004","15.517","0.005","67.939","0.004","71.678","0.003","65.26","0.004","1995.4","1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H18.5 N2 O4.25 -","- C26 H18.5 N2 O4.25 -","- C104 H74 N8 O17 -","4","2","","Lin, Wei; Dou, Guo-Lan; Hu, Ming-Hua; Cao, Cheng-Pao; Huang, Zhi-Bin; Shi, Da-Qing","Facile, efficient, and diastereoselective synthesis of heterohelicene-like molecules.","Organic letters","2013","15","6","1238","1241","10.1021/ol400154j","","","0.71073","MoKα","","0.122","0.0534","","","0.1228","0.1663","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511859","9.8118","0.0003","8.1212","0.0002","10.115","0.0003","90","","104.002","0.003","90","","782.05","0.04","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C38 H40 O8 -","2","1","","Zhang, Da-Li; Zhou, Li-Yan; Quan, Jun-Min; Zhang, Wei; Gu, Lian-Quan; Huang, Zhi-Shu; An, Lin-Kun","Oxygen insertion of o-quinone under catalytic hydrogenation conditions.","Organic letters","2013","15","6","1162","1165","10.1021/ol400164e","","","1.54178","CuKα","","0.0324","0.0312","","","0.0816","0.0828","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511860","30.977","0.002","6.0722","0.0004","11.0436","0.0008","90","","91.291","0.001","90","","2076.8","0.2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H17 Br N4 O4 S -","- C22 H17 Br N4 O4 S -","- C88 H68 Br4 N16 O16 S4 -","4","1","","Liu, Xiong-Li; Han, Wen-Yong; Zhang, Xiao-Mei; Yuan, Wei-Cheng","Highly efficient and stereocontrolled construction of 3,3'-pyrrolidonyl spirooxindoles via organocatalytic domino Michael/cyclization reaction.","Organic letters","2013","15","6","1246","1249","10.1021/ol400183k","","","0.71073","MoKα","","0.0222","0.0209","","","0.0544","0.0547","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511861","18.44","0.004","7.7752","0.0013","18.306","0.004","90","","119.204","0.003","90","","2291","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 O -","- C29 H26 N4 O -","- C116 H104 N16 O4 -","4","1","","Li, Ming; Lv, Xiu-Liang; Wen, Li-Rong; Hu, Zhi-Qiang","Direct solvent-free regioselective construction of pyrrolo[1,2-a][1,10]phenanthrolines based on isocyanide-based multicomponent reactions.","Organic letters","2013","15","6","1262","1265","10.1021/ol400191b","","","0.71073","MoKα","","0.0896","0.0719","","","0.141","0.1501","","","","","","1.182","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511862","32.688","0.02","7.675","0.004","19.377","0.011","90","","110.19","0.009","90","","4563","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H19 Cl N4 O2 -","- C26 H19 Cl N4 O2 -","- C208 H152 Cl8 N32 O16 -","8","1","","Li, Ming; Lv, Xiu-Liang; Wen, Li-Rong; Hu, Zhi-Qiang","Direct solvent-free regioselective construction of pyrrolo[1,2-a][1,10]phenanthrolines based on isocyanide-based multicomponent reactions.","Organic letters","2013","15","6","1262","1265","10.1021/ol400191b","","","0.71073","MoKα","","0.1569","0.1338","","","0.318","0.3335","","","","","","1.246","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511863","12.8977","0.0008","7.2069","0.0005","15.0389","0.0009","90","","100.506","0.006","90","","1374.47","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Yang, Weijun; Xu, Lijun; Chen, Zhengkai; Zhang, Lili; Miao, Maozhong; Ren, Hongjun","Ru-catalyzed synthesis of dihydrofuroquinolines from azido-cyclopropyl ketones.","Organic letters","2013","15","6","1282","1285","10.1021/ol400223d","","","0.71073","MoKα","","0.0614","0.042","","","0.1074","0.1228","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511864","11.487","0.005","6.052","0.003","36.08","0.008","90","","96.484","0.012","90","","2492.2","1.7","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C128 H128 O16 -","8","1","","Xie, Xiaocong; Li, Yi; Fox, Joseph M.","Selective Syntheses of Δα,βand Δβ,γButenolides from Allylic Cyclopropenecarboxylates via Tandem Ring Expansion/[3,3]-Sigmatropic Rearrangements","Organic Letters","2013","15","7","1500","","10.1021/ol400264a","","","0.71073","MoKα","","0.0928","0.0863","","","0.2671","0.2747","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511865","17.444","0.004","8.121","0.002","26.134","0.007","90","","90","","90","","3702.2","1.6","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C184 H192 O16 -","8","1","","Xie, Xiaocong; Li, Yi; Fox, Joseph M.","Selective Syntheses of Δα,βand Δβ,γButenolides from Allylic Cyclopropenecarboxylates via Tandem Ring Expansion/[3,3]-Sigmatropic Rearrangements","Organic Letters","2013","15","7","1500","","10.1021/ol400264a","","","0.71073","MoKα","","0.1059","0.0494","","","0.0882","0.1081","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511866","14.22","0.003","26.693","0.005","16.457","0.003","90","","95.884","0.003","90","","6214","2","150","2","150","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 -","- C44 H34 -","- C352 H272 -","8","2","","Feng, Xing; Hu, Jian-Yong; Iwanaga, Fumitaka; Seto, Nobuyuki; Redshaw, Carl; Elsegood, Mark R. J.; Yamato, Takehiko","Blue-emitting butterfly-shaped 1,3,5,9-tetraarylpyrenes: synthesis, crystal structures, and photophysical properties.","Organic letters","2013","15","6","1318","1321","10.1021/ol4002653","","","0.71073","MoKα","","0.162","0.057","","","0.1101","0.1722","","","","","","1.072","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1511867","12.642","0.002","12.96","0.002","13.854","0.002","86.048","0.002","67.354","0.002","60.942","0.002","1811.4","0.5","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 O4 -","- C48 H42 O4 -","- C96 H84 O8 -","2","1","","Feng, Xing; Hu, Jian-Yong; Iwanaga, Fumitaka; Seto, Nobuyuki; Redshaw, Carl; Elsegood, Mark R. J.; Yamato, Takehiko","Blue-emitting butterfly-shaped 1,3,5,9-tetraarylpyrenes: synthesis, crystal structures, and photophysical properties.","Organic letters","2013","15","6","1318","1321","10.1021/ol4002653","","","0.71073","MoKα","","0.0695","0.0475","","","0.1277","0.1413","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1511868","14.076","0.003","9.7666","0.0019","26.439","0.005","90","","95.169","0.015","90","","3619.9","1.3","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H35 Cl3 O4 -","- C45 H35 Cl3 O4 -","- C180 H140 Cl12 O16 -","4","1","","Feng, Xing; Hu, Jian-Yong; Iwanaga, Fumitaka; Seto, Nobuyuki; Redshaw, Carl; Elsegood, Mark R. J.; Yamato, Takehiko","Blue-emitting butterfly-shaped 1,3,5,9-tetraarylpyrenes: synthesis, crystal structures, and photophysical properties.","Organic letters","2013","15","6","1318","1321","10.1021/ol4002653","","","1.54187","CuKα","","","0.0578","","","","0.1852","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511869","14.7051","0.0005","12.7004","0.0004","7.9795","0.0002","90","","102.019","0.002","90","","1457.59","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl N2 O2 S -","- C15 H13 Cl N2 O2 S -","- C60 H52 Cl4 N8 O8 S4 -","4","1","","Alla, Santhosh Kumar; Kumar, Rapolu Kiran; Sadhu, Pradeep; Punniyamurthy, Tharmalingam","Iodobenzene catalyzed C-H amination of N-substituted amidines using m-chloroperbenzoic acid.","Organic letters","2013","15","6","1334","1337","10.1021/ol400274f","","","0.71073","MoKα","","0.045","0.0397","","","0.1152","0.1204","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511870","10.2325","0.0005","17.7301","0.0008","12.7057","0.0006","90","","105.974","0.001","90","","2216.1","0.18","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","Peptide","","","- C22 H31 N3 O5 -","- C22 H31 N3 O5 -","- C88 H124 N12 O20 -","4","2","","Ramesh, Veera V. E.; Kale, Sangram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Carboxamide versus Sulfonamide in Peptide Backbone Folding: A Case Study with a Hetero Foldamer","Organic Letters","2013","15","7","1504","","10.1021/ol4002762","","","0.71073","MoKα","","0.0665","0.0591","","","0.1233","0.1266","","","","","","1.186","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511871","8.677","0.003","12.585","0.004","11.434","0.004","90","","98.801","0.009","90","","1233.9","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Peptide","","","- C21 H31 N3 O7 S -","- C21 H31 N3 O7 S -","- C42 H62 N6 O14 S2 -","2","1","","Ramesh, Veera V. E.; Kale, Sangram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Carboxamide versus Sulfonamide in Peptide Backbone Folding: A Case Study with a Hetero Foldamer","Organic Letters","2013","15","7","1504","","10.1021/ol4002762","","","0.71073","MoKα","","0.0328","0.0305","","","0.0845","0.0867","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511872","11.3088","0.0006","15.8114","0.0008","25.101","0.001","90","","90","","90","","4488.3","0.4","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C42 H60 N6 O12 -","- C42 H57 N6 O12 -","- C168 H228 N24 O48 -","4","1","","Ramesh, Veera V. E.; Kale, Sangram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Carboxamide versus Sulfonamide in Peptide Backbone Folding: A Case Study with a Hetero Foldamer","Organic Letters","2013","15","7","1504","","10.1021/ol4002762","","","0.71073","MoKα","","0.068","0.0617","","","0.1509","0.1555","","","","","","1.114","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511873","8.7784","0.0002","15.2539","0.0003","29.9127","0.0006","90","","90","","90","","4005.46","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C36 H50 N6 O11 S2 -","- C36 H49 N6 O11 S2 -","- C144 H196 N24 O44 S8 -","4","1","","Ramesh, Veera V. E.; Kale, Sangram S.; Kotmale, Amol S.; Gawade, Rupesh L.; Puranik, Vedavati G.; Rajamohanan, P. R.; Sanjayan, Gangadhar J.","Carboxamide versus Sulfonamide in Peptide Backbone Folding: A Case Study with a Hetero Foldamer","Organic Letters","2013","15","7","1504","","10.1021/ol4002762","","","0.71073","MoKα","","0.0487","0.0428","","","0.0965","0.0997","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511874","22.5171","0.0011","13.122","0.0006","21.6558","0.001","90","","118.366","0.001","90","","5630.3","0.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Dimethyl 1-allyl-2'-(4-nitrophenyl)-2-oxo-3'-(p-tolyl)spiro[indoline-3,4' -oxazolidine]-5',5'-dicarboxylate","","- C30 H27 N3 O8 -","- C30 H27 N3 O8 -","- C240 H216 N24 O64 -","8","1","","Rajasekaran, T.; Karthik, G.; Sridhar, B.; Subba Reddy, B. V.","Dual Behavior of Isatin-Based Cyclic Ketimines with Dicarbomethoxy Carbene: Expedient Synthesis of Highly Functionalized Spirooxindolyl Oxazolidines and Pyrrolines","Organic Letters","2013","15","7","1512","","10.1021/ol400287q","","x-ray","0.71073","MoKα","","0.0818","0.0704","","","0.2073","0.2225","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511875","7.9805","0.0011","19.764","0.003","17.862","0.003","90","","99.901","0.002","90","","2775.4","0.7","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N2 O9 -","- C32 H28 N2 O9 -","- C128 H112 N8 O36 -","4","1","","Rajasekaran, T.; Karthik, G.; Sridhar, B.; Subba Reddy, B. V.","Dual Behavior of Isatin-Based Cyclic Ketimines with Dicarbomethoxy Carbene: Expedient Synthesis of Highly Functionalized Spirooxindolyl Oxazolidines and Pyrrolines","Organic Letters","2013","15","7","1512","","10.1021/ol400287q","","","0.71073","MoKα","","0.0642","0.0408","","","0.0981","0.1141","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511876","29.183","0.003","9.2281","0.0011","20.653","0.002","90","","90","","90","","5561.9","1","193","2","193","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C38 H32 -","- C38 H32 -","- C304 H256 -","8","2","","Fix, Aaron G.; Deal, Parker E.; Vonnegut, Chris L.; Rose, Bradley D.; Zakharov, Lev N.; Haley, Michael M.","Indeno[2,1-c]fluorene: a new electron-accepting scaffold for organic electronics.","Organic letters","2013","15","6","1362","1365","10.1021/ol400318z","","","0.71073","MoKα","","0.0419","0.0372","","","0.0972","0.1021","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511877","10.1026","0.0011","12.2338","0.0013","13.8484","0.0014","102.226","0.002","100.255","0.001","94.067","0.001","1635.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H32 Cl N2 O9.5 -","- C35 H32 Cl N2 O9.5 -","- C70 H64 Cl2 N4 O19 -","2","1","","Jiang, Bo; Wang, Xue; Xu, Hai-Wei; Tu, Man-Su; Tu, Shu-Jiang; Li, Guigen","Highly selective domino multicyclizations for forming polycyclic fused acridines and azaheterocyclic skeletons.","Organic letters","2013","15","7","1540","1543","10.1021/ol400322v","","","0.71073","MoKα","","0.2617","0.1243","","","0.349","0.4274","","","","","","1.089","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511878","16.7024","0.0015","8.0751","0.0007","19.7821","0.0017","90","","92.799","0.001","90","","2664.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 N2 O6 -","- C31 H28 N2 O6 -","- C124 H112 N8 O24 -","4","1","","Jiang, Bo; Wang, Xue; Xu, Hai-Wei; Tu, Man-Su; Tu, Shu-Jiang; Li, Guigen","Highly selective domino multicyclizations for forming polycyclic fused acridines and azaheterocyclic skeletons.","Organic letters","2013","15","7","1540","1543","10.1021/ol400322v","","","0.71073","MoKα","","0.1366","0.0546","","","0.1025","0.1191","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511879","21.024","0.004","11.026","0.002","17.458","0.004","90","","100.86","0.03","90","","3974.5","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H42 Cl2 N2 O4 S -","- C45 H42 Cl2 N2 O4 S -","- C180 H168 Cl8 N8 O16 S4 -","4","1","","Gao, Jing; Li, Yan; Wang, Zhaohui","Synthesis and properties of naphthobisbenzothiophene diimides.","Organic letters","2013","15","6","1366","1369","10.1021/ol400324w","","","1.54178","CuKα","","0.2138","0.1545","","","0.2691","0.3059","","","","","","1.174","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511880","11.967","0.002","13.253","0.003","15.005","0.003","88.88","0.03","79.64","0.03","87.14","0.03","2337.9","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 Cl4 N2 O4 S2 -","- C52 H46 Cl4 N2 O4 S2 -","- C104 H92 Cl8 N4 O8 S4 -","2","1","","Gao, Jing; Li, Yan; Wang, Zhaohui","Synthesis and properties of naphthobisbenzothiophene diimides.","Organic letters","2013","15","6","1366","1369","10.1021/ol400324w","","","0.71073","MoKα","","0.1614","0.1258","","","0.2641","0.2848","","","","","","1.209","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511881","9.652","0.0011","14.2244","0.0015","20.858","0.003","90","","90","","90","","2863.7","0.6","123","","123","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H14 O -","- C22 H14 O -","- C176 H112 O8 -","8","1","","Yamamoto, Kosuke; Okazumi, Mieko; Suemune, Hiroshi; Usui, Kazuteru","Synthesis of [5]Helicenes with a Substituent Exclusively on the Interior Side of the Helix by Metal-catalyzed Cycloisomerization.","Organic letters","2013","15","8","1806","1809","10.1021/ol400332j","","","0.71075","MoKα","","","0.0449","","","","0.1215","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511882","7.4251","0.0011","11.3441","0.0016","18.176","0.003","90","","91.632","0.002","90","","1530.4","0.4","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","2","","Yamamoto, Kosuke; Okazumi, Mieko; Suemune, Hiroshi; Usui, Kazuteru","Synthesis of [5]Helicenes with a Substituent Exclusively on the Interior Side of the Helix by Metal-catalyzed Cycloisomerization.","Organic letters","2013","15","8","1806","1809","10.1021/ol400332j","","","0.71073","MoKα","","0.029","0.0271","","","0.0655","0.0666","","","","","","0.911","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511883","12.06","0.003","8.342","0.002","15.779","0.004","90","","102.872","0.003","90","","1547.5","0.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","1","","Yamamoto, Kosuke; Okazumi, Mieko; Suemune, Hiroshi; Usui, Kazuteru","Synthesis of [5]Helicenes with a Substituent Exclusively on the Interior Side of the Helix by Metal-catalyzed Cycloisomerization.","Organic letters","2013","15","8","1806","1809","10.1021/ol400332j","","","0.71073","MoKα","","0.0345","0.0337","","","0.0941","0.0953","","","","","","0.83","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511884","12.5875","0.0008","17.8684","0.0012","6.0173","0.0004","90","","90","","90","","1353.4","0.15","150","","150","","","","","","","","Synthesized by the authors. See text","5","P n a 21","P 2c -2n","33","","","","- C17 H14 Cl N O -","- C17 H14 Cl N O -","- C68 H56 Cl4 N4 O4 -","4","1","","Ladd, Carolyn L.; Sustac Roman, Daniela; Charette, André B.","Silver-promoted, palladium-catalyzed direct arylation of cyclopropanes: facile access to spiro 3,3'-cyclopropyl oxindoles.","Organic letters","2013","15","6","1350","1353","10.1021/ol4003338","","","1.54178","CuKα","","0.0299","0.0299","","","0.0791","0.0791","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511885","15.2477","0.0007","5.8321","0.0003","16.7963","0.0009","90","","90.669","0.003","90","","1493.53","0.13","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F3 N O -","- C18 H14 F3 N O -","- C72 H56 F12 N4 O4 -","4","1","","Ladd, Carolyn L.; Sustac Roman, Daniela; Charette, André B.","Silver-promoted, palladium-catalyzed direct arylation of cyclopropanes: facile access to spiro 3,3'-cyclopropyl oxindoles.","Organic letters","2013","15","6","1350","1353","10.1021/ol4003338","","","1.54178","CuKα","","0.0515","0.0453","","","0.1269","0.1323","","","","","","1.112","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511886","12.1557","0.0005","11.7061","0.0003","12.5509","0.0004","90","","111.094","0.0015","90","","1666.27","0.1","103","2","103","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","11a,12-Dihydro-5b-methyl-5a,12a-epoxy-11H-dibenzo[b,h]fluorene-5,6,11,13(5bH)-tetrone","11a,12-Dihydro-5b-methyl-5a,12a-epoxy-11H-dibenzo[b,h]fluorene-5,6,11,13(5bH)-tetrone","","- C22 H14 O5 -","- C22 H14 O5 -","- C88 H56 O20 -","4","1","","Maruo, Sayako; Nishio, Kazuyuki; Sasamori, Takahiro; Tokitoh, Norihiro; Kuramochi, Kouji; Tsubaki, Kazunori","Biomimetic Synthesis of Zeylanone and Zeylanone Epoxide by Dimerization of 2-Methyl-1,4-naphthoquinone","Organic Letters","2013","15","7","1556","","10.1021/ol400335s","","","0.7107","MoKα","","0.0458","0.032","","","0.0792","0.0842","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511887","13.727","0.005","16.832","0.006","7.474","0.003","90","","95.94","0.02","90","","1717.6","1.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C80 H76 N4 O12 -","4","1","","Sueda, Takuya; Kawada, Arisa; Urashi, Yumi; Teno, Naoki","Ag- and Au-Catalyzed Addition of Alcohols to Ynimides: β-Regioselective Carbonylation and Production of Oxazoles","Organic Letters","2013","15","7","1560","","10.1021/ol400338x","","","1.54187","CuKα","","","0.0436","","","","0.0486","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511888","9.5282","0.0005","21.6974","0.001","26.3399","0.0013","90","","90","","90","","5445.4","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","QY0629","Doyle/Qian QY0629","","- C27 H33 Br N2 O4 S -","- C27 H33 Br N2 O4 S -","- C216 H264 Br8 N16 O32 S8 -","8","1","","Qian, Yu; Zavalij, Peter J.; Hu, Wenhao; Doyle, Michael P.","Bicyclic Pyrazolidinone Derivatives from Diastereoselective Catalytic [3 + 3]-Cycloaddition Reactions of Enoldiazoacetates with Azomethine Imines","Organic Letters","2013","15","7","1564","","10.1021/ol400339c","","","0.71073","MoKα","","0.0548","0.0378","","","0.0801","0.0843","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511889","6.49546","0.00006","11.74349","0.00013","21.65156","0.00019","90","","90","","90","","1651.57","0.03","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C76 H104 O12 -","4","1","","Yin, Hong; Luo, Jian-Guang; Shan, Si-Ming; Wang, Xiao-Bing; Luo, Jun; Yang, Ming-Hua; Kong, Ling-Yi","Amomaxins A and B, Two Unprecedented Rearranged Labdane Norditerpenoids with a Nine-Membered Ring fromAmomum maximum","Organic Letters","2013","15","7","1572","","10.1021/ol400348a","","","1.54184","CuKα","","0.0316","0.0303","","","0.0804","0.0819","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511890","6.945","0.003","17.2536","0.0005","20.6291","0.001","90","","90","","90","","2471.9","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N2 O6 S -","- C27 H26 N2 O6 S -","- C108 H104 N8 O24 S4 -","4","1","","Rajkumar, Sundaram; Shankland, Kenneth; Goodman, Jonathan M.; Cobb, Alexander J. A.","Organocatalytic domino reaction of cyanosulfones: access to complex cyclohexane systems with quaternary carbon centers.","Organic letters","2013","15","6","1386","1389","10.1021/ol400356k","","","1.5418","CuKα","","0.041","0.0347","","","0.0814","0.085","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511891","7.5203","0.0001","11.5007","0.0001","13.5727","0.0001","90","","100.496","0.001","90","","1154.24","0.02","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O6 S -","- C24 H26 N2 O6 S -","- C48 H52 N4 O12 S2 -","2","1","","Rajkumar, Sundaram; Shankland, Kenneth; Goodman, Jonathan M.; Cobb, Alexander J. A.","Organocatalytic domino reaction of cyanosulfones: access to complex cyclohexane systems with quaternary carbon centers.","Organic letters","2013","15","6","1386","1389","10.1021/ol400356k","","","1.54184","CuKα","","0.0243","0.0239","","","0.0644","0.0649","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511892","9.0124","0.0009","20.098","0.002","17.2357","0.0017","90","","95.571","0.003","90","","3107.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 Au Cl O2 P -","- C31 H49 Au Cl O2 P -","- C124 H196 Au4 Cl4 O8 P4 -","4","1","","Obradors, Carla; Leboeuf, David; Aydin, Juhanes; Echavarren, Antonio M.","Gold(I)-Catalyzed Macrocyclization of 1,n-Enynes","Organic Letters","2013","15","7","1576","","10.1021/ol400358f","","","0.71073","MoKα","","0.0294","0.0232","","","0.0539","0.0563","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511893","12.376","0.0009","16.1339","0.0012","16.0235","0.0012","90","","94.179","0.002","90","","3191","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H53 Au Cl P -","- C33 H53 Au Cl P -","- C132 H212 Au4 Cl4 P4 -","4","1","","Obradors, Carla; Leboeuf, David; Aydin, Juhanes; Echavarren, Antonio M.","Gold(I)-Catalyzed Macrocyclization of 1,n-Enynes","Organic Letters","2013","15","7","1576","","10.1021/ol400358f","","","0.71073","MoKα","","0.0313","0.0228","","","0.0555","0.0594","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511894","11.8987","0.0003","6.0503","0.0002","21.0067","0.0005","90","","104.945","0.001","90","","1461.13","0.07","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Obradors, Carla; Leboeuf, David; Aydin, Juhanes; Echavarren, Antonio M.","Gold(I)-Catalyzed Macrocyclization of 1,n-Enynes","Organic Letters","2013","15","7","1576","","10.1021/ol400358f","","","0.71073","MoKα","","0.0521","0.044","","","0.1165","0.1235","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511895","9.7707","0.0001","12.1601","0.0002","14.4735","0.0002","90","","90","","90","","1719.64","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O3 -","- C10 H12 O3 -","- C80 H96 O24 -","8","2","","Newhouse, Timothy R.; Kaib, Philip S. J.; Gross, Andrew W.; Corey, E. J.","Versatile Approaches for the Synthesis of Fused-Ring γ-Lactones Utilizing Cyclopropane Intermediates","Organic Letters","2013","15","7","1591","","10.1021/ol400362t","","","1.54178","CuKα","","0.0263","0.0258","","","0.0665","0.067","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511896","6.4751","0.0003","19.7106","0.0008","6.7241","0.0003","90","","96.744","0.002","90","","852.25","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","","Newhouse, Timothy R.; Kaib, Philip S. J.; Gross, Andrew W.; Corey, E. J.","Versatile Approaches for the Synthesis of Fused-Ring γ-Lactones Utilizing Cyclopropane Intermediates","Organic Letters","2013","15","7","1591","","10.1021/ol400362t","","","1.54178","CuKα","","0.0355","0.0351","","","0.089","0.0896","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511897","11.2375","0.0003","6.1253","0.0001","11.8492","0.0003","90","","95.395","0.001","90","","812","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H10 O4 -","- C9 H10 O4 -","- C36 H40 O16 -","4","2","","Newhouse, Timothy R.; Kaib, Philip S. J.; Gross, Andrew W.; Corey, E. J.","Versatile Approaches for the Synthesis of Fused-Ring γ-Lactones Utilizing Cyclopropane Intermediates","Organic Letters","2013","15","7","1591","","10.1021/ol400362t","","","1.54178","CuKα","","0.0224","0.0224","","","0.0573","0.0574","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511898","6.4936","0.0003","15.2903","0.0007","9.7857","0.0005","90","","99.641","0.002","90","","957.89","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","1","","Newhouse, Timothy R.; Kaib, Philip S. J.; Gross, Andrew W.; Corey, E. J.","Versatile Approaches for the Synthesis of Fused-Ring γ-Lactones Utilizing Cyclopropane Intermediates","Organic Letters","2013","15","7","1591","","10.1021/ol400362t","","","0.71073","MoKα","","0.0374","0.035","","","0.0907","0.0922","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511899","7.9353","0.0002","17.7258","0.0004","15.3911","0.0011","90","","98.985","0.007","90","","2138.34","0.17","200","0.2","200","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 O5 -","- C24 H28 O5 -","- C96 H112 O20 -","4","1","","Ramachandran, P. Veeraraghavan; Nicponski, Daniel; Kim, Bomi","Total regio- and diastereocontrol in the aldol reactions of dienolborinates.","Organic letters","2013","15","6","1398","1401","10.1021/ol400381q","","","1.54184","CU-Kα","","0.043","0.037","","","0.096","0.104","","","","","","1.064","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1511900","5.7391","0.0003","11.1115","0.0006","18.7773","0.001","79.448","0.003","83.65","0.002","87.656","0.002","1169.7","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 O4 P -","- C28 H25 O4 P -","- C56 H50 O8 P2 -","2","1","","You, Wei; Li, Yan; Brown, M. Kevin","Stereoselective Synthesis of All-Carbon Tetrasubstituted Alkenes from In Situ Generated Ketenes and Organometallic Reagents","Organic Letters","2013","15","7","1610","","10.1021/ol400392r","","","0.71073","MoKα","","0.0667","0.0549","","","0.1393","0.1485","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511901","10.756","0.002","9.1384","0.0016","13.732","0.003","90","","90.326","0.005","90","","1349.7","0.5","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H31 N O4 S -","- C30 H31 N O4 S -","- C60 H62 N2 O8 S2 -","2","1","","Kamimura, Akio; So, Masahiro; Ishikawa, Shingo; Uno, Hidemitsu","Pd-catalyzed tandem sp2-sp3 coupling reactions of chiral stannolanes: an efficient preparation of optically active tetrahydrobenz[f]isoindoles.","Organic letters","2013","15","6","1402","1405","10.1021/ol4003948","","","0.71075","MoKα","","","0.0438","","","","0.1324","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511902","7.062","0.003","9.027","0.004","13.891","0.007","90","","101.281","0.006","90","","868.4","0.7","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C40 H42 N2 O6 S2 -","2","1","","Kamimura, Akio; So, Masahiro; Ishikawa, Shingo; Uno, Hidemitsu","Pd-catalyzed tandem sp2-sp3 coupling reactions of chiral stannolanes: an efficient preparation of optically active tetrahydrobenz[f]isoindoles.","Organic letters","2013","15","6","1402","1405","10.1021/ol4003948","","","0.71075","MoKα","","0.0367","0.032","","","0.0691","0.0711","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511903","11.5332","0.0007","14.9254","0.001","17.4658","0.0013","90","","125.386","0.005","90","","2451.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl2 N3 O6 S3 -","- C21 H19 Cl2 N3 O6 S3 -","- C84 H76 Cl8 N12 O24 S12 -","4","1","","Yadav, M. Ramu; Rit, Raja K.; Sahoo, Akhila K.","Sulfoximine Directed Intermolecular o-C-H Amidation of Arenes with Sulfonyl Azides.","Organic letters","2013","15","7","1638","1641","10.1021/ol400411v","","","0.71073","MoKα","","0.1594","0.0722","","","0.1502","0.1924","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511904","8.1107","0.0012","9.1475","0.0016","11.4039","0.0019","106.487","0.005","103.627","0.004","104.156","0.004","743.1","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl2 O5 S -","- C12 H14 Cl2 O5 S -","- C24 H28 Cl4 O10 S2 -","2","1","","Kim, Seong-Hwan; Kwon, So Hee; Park, Seon-Hui; Lee, Jae Kyun; Bang, Hea-Son; Nam, Sang-Jip; Kwon, Hak Cheol; Shin, Jongheon; Oh, Dong-Chan","Tripartin, a Histone Demethylase Inhibitor from a Bacterium Associated with a Dung Beetle Larva.","Organic letters","2013","15","8","1834","1837","10.1021/ol4004417","","","0.71075","MoKα","","","0.0449","","","","0.1264","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511905","10.3266","0.0003","21.7894","0.0006","16.1875","0.0005","90","","105.788","0.001","90","","3504.95","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H3 B F20 S6 -","- C37 H3 B F20 S6 -","- C148 H12 B4 F80 S24 -","4","1","","Bag, Pradip; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Hexathiophenalenyliums cations: syntheses, structures, and redox chemistry.","Organic letters","2013","15","6","1198","1201","10.1021/ol400452f","","","0.71073","MoKα","","0.0303","0.0282","","","0.0795","0.081","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511906","13.145","0.0013","23.279","0.002","13.4019","0.0014","90","","113.447","0.002","90","","3762.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 B Cl4 N O2 S6 -","- C39 H26 B Cl4 N O2 S6 -","- C156 H104 B4 Cl16 N4 O8 S24 -","4","1","","Bag, Pradip; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Hexathiophenalenyliums cations: syntheses, structures, and redox chemistry.","Organic letters","2013","15","6","1198","1201","10.1021/ol400452f","","","0.71073","MoKα","","0.1288","0.0766","","","0.1968","0.23","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511907","8.334","0.002","17.631","0.004","13.162","0.003","90","","98.01","0.004","90","","1915.1","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","rac (2S,3R)-methyl 3-(N-allyl-4-methylphenylsulfonamido) -2-bromo-3-ethoxypropanoate","","- C16 H22 Br N O5 S -","- C16 H22 Br N O5 S -","- C64 H88 Br4 N4 O20 S4 -","4","1","","Nocquet-Thibault, Sophie; Retailleau, Pascal; Cariou, Kevin; Dodd, Robert H.","Iodine(III)-Mediated Umpolung of Bromide Salts for the Ethoxybromination of Enamides.","Organic letters","2013","15","8","1842","1845","10.1021/ol400453b","","","0.7107","MoKα","","0.0996","0.0855","","","0.2191","0.2372","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511908","24.175","0.005","15.224","0.003","12.249","0.002","90","","103.389","0.004","90","","4385.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","rac (2R,3R) 2-bromo-1-ethoxy-2-phenylethyl)-4-methyl-N-phenylbenzenesulfonamide","","- C23 H24 Br N O3 S -","- C23 H24 Br N O3 S -","- C184 H192 Br8 N8 O24 S8 -","8","2","","Nocquet-Thibault, Sophie; Retailleau, Pascal; Cariou, Kevin; Dodd, Robert H.","Iodine(III)-Mediated Umpolung of Bromide Salts for the Ethoxybromination of Enamides.","Organic letters","2013","15","8","1842","1845","10.1021/ol400453b","","","0.7107","MoKα","","0.1471","0.107","","","0.3274","0.3654","","","","","","1.47","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511909","9.2928","0.001","10.4817","0.0011","11.6022","0.0013","75.347","0.002","66.757","0.002","89.136","0.002","1000.04","0.19","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H19 Br N4 O3 -","- C20 H19 Br N4 O3 -","- C40 H38 Br2 N8 O6 -","2","2","","Chen, Xianjie; Chen, Hui; Ji, Xun; Jiang, Hualiang; Yao, Zhu-Jun; Liu, Hong","Asymmetric One-Pot Sequential Mannich/Hydroamination Reaction by Organo- and Gold Catalysts: Synthesis of Spiro[pyrrolidin-3,2'-oxindole] Derivatives.","Organic letters","2013","15","8","1846","1849","10.1021/ol4004542","","","0.71073","MoKα","","0.0346","0.031","","","0.0709","0.0726","","","","","","0.937","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511910","7.199","0.003","14.568","0.005","20.83","0.008","90","","90","","90","","2184.5","1.4","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 Si -","- C30 H22 Si -","- C120 H88 Si4 -","4","1","","Oyama, Hiromi; Nakano, Koji; Harada, Takunori; Kuroda, Reiko; Naito, Masanobu; Nobusawa, Kazuyuki; Nozaki, Kyoko","Facile Synthetic Route to Highly Luminescent Sila[7]helicene","Organic Letters","2013","15","9","2104","","10.1021/ol4005036","","","1.54187","CuKα","","0.1318","0.0998","","","0.2328","0.2671","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511911","9.474","0.0018","10.2346","0.0019","12.862","0.002","67.948","0.003","89.908","0.003","88.178","0.003","1155.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O6 S -","- C23 H25 N O6 S -","- C46 H50 N2 O12 S2 -","2","1","","Tombe, Rihoko; Kurahashi, Takuya; Matsubara, Seijiro","Nickel-catalyzed cycloaddition of vinylcyclopropanes to imines.","Organic letters","2013","15","8","1791","1793","10.1021/ol4005068","","","0.71073","MoKα","","0.0775","0.0726","","","0.2468","0.2506","","","","","","1.133","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511912","9.8884","0.001","9.9615","0.001","11.2817","0.001","86.326","0.003","68.916","0.003","65.816","0.003","941.35","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","? Ansa Naphthaldehyde","tert-butyl 5-formyl-1,4,6-trimethoxy-7-methylnaphthalen-2-ylcarbamate ?","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C40 H50 N2 O12 -","2","1","","Rasapalli, Sivappa; Jarugumilli, Gopalakrishna; Yarrapothu, Gangadhara Rao; Golen, James A.; Rheingold, Arnold L.","Studies toward Total Synthesis of Divergolides C and D","Organic Letters","2013","15","7","1736","","10.1021/ol400528g","","","0.71073","MoKα","","0.0679","0.0452","","","0.107","0.1199","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511913","17.5619","0.0009","12.6304","0.0007","9.8128","0.0005","90","","90.571","0.001","90","","2176.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O3 S Si -","- C21 H27 N O3 S Si -","- C84 H108 N4 O12 S4 Si4 -","4","1","","Shen, Kun; Han, Xiuling; Lu, Xiyan","Cationic Pd(II)-Catalyzed Reductive Cyclization of Alkyne-Tethered Ketones or Aldehydes Using Ethanol as Hydrogen Source","Organic Letters","2013","15","7","1732","","10.1021/ol400531a","","","0.71073","MoKα","","0.047","0.0425","","","0.1195","0.1244","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511914","8.6136","0.0004","8.6555","0.0004","17.198","0.0008","100.351","0.003","95.827","0.003","102.234","0.003","1219.62","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 F6 O10 Pd S6 -","- C10 H24 F6 O10 Pd S6 -","- C20 H48 F12 O20 Pd2 S12 -","2","1","","Walker, Sarah E.; Boehnke, Julian; Glen, Pauline E.; Levey, Steven; Patrick, Lisa; Jordan-Hore, James A; Lee, Ai-Lan","Ligand- and Base-Free Pd(II)-Catalyzed Controlled Switching between Oxidative Heck and Conjugate Addition Reactions.","Organic letters","2013","15","8","1886","1889","10.1021/ol400539h","","","0.71073","MoKα","","0.0459","0.0327","","","0.0576","0.0635","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511915","6.484","0.0013","9.9421","0.0019","9.963","0.002","85.839","0.013","72.127","0.012","80.358","0.012","602.5","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H20 N2 O -","- C14 H20 N2 O -","- C28 H40 N4 O2 -","2","1","","Gan, Wei; Moon, Patrick J.; Clavette, Christian; Das Neves, Nicolas; Markiewicz, Thomas; Toderian, Amy B.; Beauchemin, André M","Synthesis and reactivity of unsymmetrical azomethine imines formed using alkene aminocarbonylation.","Organic letters","2013","15","8","1890","1893","10.1021/ol400542b","","","0.71073","MoKα","","0.1089","0.0515","","","0.1604","0.215","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511916","9.355","0.003","10.436","0.003","12.314","0.004","90","","102.117","0.017","90","","1175.4","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Gan, Wei; Moon, Patrick J.; Clavette, Christian; Das Neves, Nicolas; Markiewicz, Thomas; Toderian, Amy B.; Beauchemin, André M","Synthesis and reactivity of unsymmetrical azomethine imines formed using alkene aminocarbonylation.","Organic letters","2013","15","8","1890","1893","10.1021/ol400542b","","","0.71073","MoKα","","0.0519","0.0405","","","0.1052","0.1148","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511917","13.2073","0.0018","19.249","0.003","21.407","0.003","90","","98.997","0.002","90","","5375.3","1.3","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H62 Cl2 O18 -","- C58 H62 Cl2 O18 -","- C232 H248 Cl8 O72 -","4","1","","Suzuki, Takahiro; Miyajima, Yuria; Suzuki, Kaname; Iwakiri, Kanako; Koshimizu, Masaki; Hirai, Go; Sodeoka, Mikiko; Kobayashi, Susumu","Unexpected Diels-Alder/Carbonyl-ene Cascade toward the Biomimetic Synthesis of Chloropupukeananin.","Organic letters","2013","15","7","1748","1751","10.1021/ol400549q","","","0.71073","MoKα","","0.144","0.0629","","","0.0692","0.0804","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511918","17.187","0.002","7.3498","0.0009","23.976","0.003","90","","101.984","0.002","90","","2962.7","0.6","173","1","173","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H11 Cl O7 -","- C16 H11 Cl O7 -","- C128 H88 Cl8 O56 -","8","2","","Suzuki, Takahiro; Miyajima, Yuria; Suzuki, Kaname; Iwakiri, Kanako; Koshimizu, Masaki; Hirai, Go; Sodeoka, Mikiko; Kobayashi, Susumu","Unexpected Diels-Alder/Carbonyl-ene Cascade toward the Biomimetic Synthesis of Chloropupukeananin.","Organic letters","2013","15","7","1748","1751","10.1021/ol400549q","","","0.71073","MoKα","","0.0315","0.0279","","","0.0634","0.0656","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511919","6.9099","0.0006","18.7473","0.0016","11.4333","0.001","90","","98.401","0.002","90","","1465.2","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","hydrindane","","","- C16 H24 O4 -","- C16 H24 O4 -","- C64 H96 O16 -","4","1","","Handore, Kishor L.; Reddy, D. Srinivasa","A diverted total syntheses of potent cell adhesion inhibitor peribysin e analogues.","Organic letters","2013","15","8","1894","1897","10.1021/ol400555m","","","0.71073","MoKα","","0.0563","0.0464","","","0.1203","0.1297","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511920","12.9452","0.0006","8.9427","0.0004","31.393","0.002","90","","101.747","0.0008","90","","3558.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Coumarin","","","- C24 H18 O2 -","- C24 H18 O2 -","- C192 H144 O16 -","8","2","","Bhunia, Anup; Patra, Atanu; Puranik, Vedavati G.; Biju, Akkattu T.","NHC-Catalyzed Reaction of Enals with Hydroxy Chalcones: Diastereoselective Synthesis of Functionalized Coumarins.","Organic letters","2013","15","7","1756","1759","10.1021/ol400562z","","","0.71073","MoKα","","0.0762","0.0567","","","0.1164","0.1245","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511921","9.4896","0.0015","9.4513","0.0014","10.805","0.0016","90","","108.172","0.003","90","","920.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H19 F3 N2 O3 S -","- C19 H19 F3 N2 O3 S -","- C38 H38 F6 N4 O6 S2 -","2","0.5","","Senczyszyn, Jemma; Brice, Heloise; Clayden, Jonathan","Spirocyclic dihydropyridines by electrophile-induced dearomatizing cyclization of N-alkenyl pyridinecarboxamides.","Organic letters","2013","15","8","1922","1925","10.1021/ol400571j","","","0.71073","MoKα","","0.0415","0.0375","","","0.0947","0.0975","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511922","23.483","0.0008","6.302","0.0002","13.176","0.0006","90","","105.776","0.0014","90","","1876.47","0.12","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C19 H19 F3 N2 O4 S -","- C19 H19 F3 N2 O4 S -","- C76 H76 F12 N8 O16 S4 -","4","1","","Senczyszyn, Jemma; Brice, Heloise; Clayden, Jonathan","Spirocyclic dihydropyridines by electrophile-induced dearomatizing cyclization of N-alkenyl pyridinecarboxamides.","Organic letters","2013","15","8","1922","1925","10.1021/ol400571j","","","0.71073","MoKα","","0.0836","0.0616","","","0.1551","0.1844","","","","","","1.127","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1511923","10.6078","0.001","11.7116","0.0011","13.0714","0.0013","103.006","0.002","107.583","0.002","105.221","0.002","1409.6","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H30 O7 -","- C33 H30 O7 -","- C66 H60 O14 -","2","1","","Wang, Sunewang Rixin; Radosevich, Alexander T.","Reductive Homocondensation of Benzylidene- and Alkylidenepyruvate Esters by a P(NMe2)3-Mediated Tandem Reaction.","Organic letters","2013","15","8","1926","1929","10.1021/ol400576e","","","0.71073","MoKα","","0.0906","0.0581","","","0.1268","0.1428","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511924","10.046","0.004","12.149","0.005","22.277","0.01","77.506","0.01","77.945","0.007","89.988","0.007","2593.1","1.9","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H32 O5 -","- C28 H32 O5 -","- C112 H128 O20 -","4","2","","Wang, Sunewang Rixin; Radosevich, Alexander T.","Reductive Homocondensation of Benzylidene- and Alkylidenepyruvate Esters by a P(NMe2)3-Mediated Tandem Reaction.","Organic letters","2013","15","8","1926","1929","10.1021/ol400576e","","","0.71073","MoKα","","0.1426","0.0712","","","0.2002","0.2463","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511925","9.402","0.0002","8.096","0.0002","10.9386","0.0002","90","","108.285","0.0013","90","","790.59","0.03","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C34 H52 O6 -","2","1","","Schwartz, Brett D.; Matoušová, Eliška; White, Richard; Banwell, Martin G.; Willis, Anthony C.","A chemoenzymatic total synthesis of the protoilludane aryl ester (+)-armillarivin.","Organic letters","2013","15","8","1934","1937","10.1021/ol400583c","","","0.71073","MoKα","","0.0396","0.0343","","0.0947","0.093","0.0947","","","","","","0.9428","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511926","8.1747","0.0002","13.5827","0.0004","18.6882","0.0006","90","","90","","90","","2075.03","0.1","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C92 H112 O20 -","4","1","","Schwartz, Brett D.; Matoušová, Eliška; White, Richard; Banwell, Martin G.; Willis, Anthony C.","A chemoenzymatic total synthesis of the protoilludane aryl ester (+)-armillarivin.","Organic letters","2013","15","8","1934","1937","10.1021/ol400583c","","","0.71073","MoKα","","0.0489","0.0403","","0.1024","0.0984","0.1024","","","","","","1.0115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511927","11.2092","0.001","44.486","0.004","10.0656","0.0008","90","","102.053","0.005","90","","4908.6","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H17 Br4 Cl N2 -","- C24.5 H17 Br4 Cl N2 -","- C196 H136 Br32 Cl8 N16 -","8","2","","Zhu, Yingguang; Shi, Yian","Facile Cu(I)-Catalyzed Oxidative Coupling of Anilines to Azo Compounds and Hydrazines with Diaziridinone under Mild Conditions.","Organic letters","2013","15","8","1942","1945","10.1021/ol4005917","","","0.71073","MoKα","","0.0961","0.0503","","","0.0761","0.0863","","","","","","1.061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511928","10.5602","0.0005","10.4546","0.0004","37.7085","0.0015","90","","95.612","0.002","90","","4143.2","0.3","173","2","173","2","","","101.3","","","","","4","P 1 21 1","P 2yb","4","","","","- C41 H46 N2 O15 -","- C41 H46 N2 O15 -","- C164 H184 N8 O60 -","4","2","","Masubuti, Hironori; Endo, Yasuhisa; Araya, Hiroshi; Uekusa, Hidehiro; Fujimoto, Yoshinori","Establishment of Benzodioxazine Core Structure for Sarcodonin Class of Natural Products by X-ray Analysis","Organic Letters","2013","15","9","2076","","10.1021/ol400595k","","x-ray","1.54186","CuKα","","0.1734","0.0765","","","0.166","0.2199","","","","","","0.975","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511929","12.5133","0.0011","8.5931","0.0008","17.3356","0.0015","90","","107.854","0.002","90","","1774.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 B F2 N3 -","- C24 H14 B F2 N3 -","- C96 H56 B4 F8 N12 -","4","1","","Li, Weiling; Lin, Weiying; Wang, Jiaoliang; Guan, Xiaoyu","Phenanthro[9,10-d]imidazole-quinoline Boron Difluoride Dyes with Solid-State Red Fluorescence.","Organic letters","2013","15","7","1768","1771","10.1021/ol400605x","","","0.71073","MoKα","","0.0655","0.0423","","","0.1019","0.1132","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511930","13.009","0.004","14.636","0.005","22.764","0.007","78.187","0.009","75.189","0.007","79.83","0.007","4066","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H26 B2 N6 O3 -","- C48 H26 B2 N6 O3 -","- C192 H104 B8 N24 O12 -","4","2","","Li, Weiling; Lin, Weiying; Wang, Jiaoliang; Guan, Xiaoyu","Phenanthro[9,10-d]imidazole-quinoline Boron Difluoride Dyes with Solid-State Red Fluorescence.","Organic letters","2013","15","7","1768","1771","10.1021/ol400605x","","","0.71073","MoKα","","0.2637","0.0923","","","0.1931","0.2354","","","","","","0.756","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511931","16.283","0.008","10.98","0.006","19.477","0.01","90","","90","","90","","3482","3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H15 N5 -","- C22 H15 N5 -","- C176 H120 N40 -","8","1","","Wang, Xiang; Wang, Shun-Yi; Ji, Shun-Jun","Isocyanide-based multicomponent reactions: catalyst-free stereoselective construction of polycyclic spiroindolines.","Organic letters","2013","15","8","1954","1957","10.1021/ol400606c","","","0.7107","MoKα","","0.1567","0.1081","","","0.2684","0.3309","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511932","7.7284","0.0001","13.4661","0.0003","20.7179","0.0014","90","","90","","90","","2156.14","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 N2 O6 S -","- C21 H24 N2 O6 S -","- C84 H96 N8 O24 S4 -","4","1","","Cheng, Tao; Meng, Sixuan; Huang, Yong","A Highly Diastereoselective and Enantioselective Synthesis of Polysubstituted Pyrrolidines via an Organocatalytic Dynamic Kinetic Resolution Cascade.","Organic letters","2013","15","8","1958","1961","10.1021/ol4006129","","","1.54187","CuKα","","0.0385","0.0335","","","0.0835","0.0888","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511933","8.7086","0.0004","10.3343","0.0005","10.3919","0.0005","90","","113.168","0.002","90","","859.82","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 Br O -","- C21 H21 Br O -","- C42 H42 Br2 O2 -","2","1","","Newcomb, Eric T.; Ferreira, Eric M.","Highly enantiospecific platinum-catalyzed cycloisomerizations: synthesis of enantioenriched oxabicycloheptene derivatives.","Organic letters","2013","15","7","1772","1775","10.1021/ol400625f","","","0.71073","MoKα","","0.0306","0.0281","","","0.0692","0.07","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511934","8.7377","0.0005","8.896","0.0005","10.4794","0.0006","71.552","0.002","73.334","0.002","69.603","0.002","709.85","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C38 H28 O6 -","2","1","","Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A","Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers.","Organic letters","2013","15","8","1962","1965","10.1021/ol400631b","","","1.54178","CuKα","","0.0376","0.0368","","","0.0924","0.0931","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511935","7.3625","0.0004","14.6288","0.0009","15.1302","0.0009","90","","102.119","0.004","90","","1593.27","0.16","114","2","114","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","","Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A","Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers.","Organic letters","2013","15","8","1962","1965","10.1021/ol400631b","","","1.54178","CuKα","","0.0321","0.0292","","","0.0732","0.0754","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511936","11.8949","0.0007","8.9065","0.0005","28.0405","0.0016","90","","90","","90","","2970.7","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C152 H112 O32 -","8","1","","Xiong, Yuan; Schaus, Scott E.; Porco, Jr, John A","Metal-catalyzed cascade rearrangements of 3-alkynyl flavone ethers.","Organic letters","2013","15","8","1962","1965","10.1021/ol400631b","","","1.54178","CuKα","","0.0384","0.0379","","","0.0897","0.0902","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511937","16.3661","0.0006","6.7959","0.0002","33.9544","0.0012","90","","90","","90","","3776.5","0.2","90","2","90","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Cl F3 N3 O -","- C7 H7 Cl F3 N3 O -","- C112 H112 Cl16 F48 N48 O16 -","16","2","","Scales, Stephanie; Johnson, Sarah; Hu, Qiyue; Do, Quyen-Quyen; Richardson, Paul; Wang, Fen; Braganza, John; Ren, Shijian; Wan, Yadong; Zheng, Baojiang; Faizi, Darius; McAlpine, Indrawan","Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2-Substituted 3,5-Dichloropyrazines","Organic Letters","2013","15","9","2156","","10.1021/ol4006695","","","1.54178","CuKα","","0.0368","0.03","","","0.0723","0.076","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511938","9.531","0.002","8.997","0.002","11.626","0.003","90","","109.605","0.01","90","","939.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Cl F3 N4 -","- C7 H4 Cl F3 N4 -","- C28 H16 Cl4 F12 N16 -","4","1","","Scales, Stephanie; Johnson, Sarah; Hu, Qiyue; Do, Quyen-Quyen; Richardson, Paul; Wang, Fen; Braganza, John; Ren, Shijian; Wan, Yadong; Zheng, Baojiang; Faizi, Darius; McAlpine, Indrawan","Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2-Substituted 3,5-Dichloropyrazines","Organic Letters","2013","15","9","2156","","10.1021/ol4006695","","","0.71073","MoKα","","0.0597","0.0377","","","0.1014","0.1138","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511939","10.9565","0.001","5.7167","0.0006","16.595","0.0015","90","","108.605","0.003","90","","985.11","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H Cl2 N3 -","- C5 H Cl2 N3 -","- C30 H6 Cl12 N18 -","6","1.5","","Scales, Stephanie; Johnson, Sarah; Hu, Qiyue; Do, Quyen-Quyen; Richardson, Paul; Wang, Fen; Braganza, John; Ren, Shijian; Wan, Yadong; Zheng, Baojiang; Faizi, Darius; McAlpine, Indrawan","Studies on the Regioselective Nucleophilic Aromatic Substitution (SNAr) Reaction of 2-Substituted 3,5-Dichloropyrazines","Organic Letters","2013","15","9","2156","","10.1021/ol4006695","","","0.71073","MoKα","","0.0585","0.039","","","0.0801","0.0875","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511940","12.492","0.001","12.566","0.001","11.401","0.001","90","","90","","90","","1789.7","0.3","123.2","","123.2","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H21 Cl N2 O2 -","- C20 H21 Cl N2 O2 -","- C80 H84 Cl4 N8 O8 -","4","1","","Soeta, Takahiro; Tabatake, Yuhta; Fujinami, Shuhei; Ukaji, Yutaka","N-Heterocyclic Carbene Catalyzed Oxidative Coupling of Aldehydes with Carbodiimides under Aerobic Conditions: Efficient Synthesis ofN-Acylureas","Organic Letters","2013","15","9","2088","","10.1021/ol400672c","","","0.7107","MoKα","","","0.0253","","","","0.0317","","","","","","1.179","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511941","10.799","0.0002","17.2424","0.0003","13.5434","0.0002","90","","104.44","0.001","90","","2442.13","0.07","150","","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H31 Cl3 O12 -","- C64 H31 Cl3 O12 -","- C128 H62 Cl6 O24 -","2","1","","Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts","Organic Letters","2013","15","9","2164","","10.1021/ol4006882","","","1.54178","CuKα","","0.056","0.048","","","0.1218","0.1271","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511942","14.714","0.003","22.636","0.004","9.8621","0.0018","90","","90","","90","","3284.7","1.1","100","","100","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C45 H27 O8 -","- C45 H27 O8 -","- C180 H108 O32 -","4","1","","Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts","Organic Letters","2013","15","9","2164","","10.1021/ol4006882","","","0.71073","MoKα","","0.0371","0.0331","","","0.0843","0.0873","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511943","22.459","0.003","22.459","0.003","25.656","0.005","90","","90","","90","","12941","4","100","","100","","","","","","","","","3","I -4","I -4","82","","","","- C207 H78 O12 -","- C207 H70 O12 -","- C828 H280 O48 -","4","0.5","","Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts","Organic Letters","2013","15","9","2164","","10.1021/ol4006882","","","0.75","synchrotron","","0.0784","0.0776","","","0.215","0.2179","","","","","","1.254","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511944","23.187","0.003","23.187","0.003","26.056","0.005","90","","90","","90","","14009","4","100","","100","","","","","","","","","3","P -4","P -4","81","","","","- C213 H24 O12 -","- C213 H24 O12 -","- C852 H96 O48 -","4","1","","Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro","Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts","Organic Letters","2013","15","9","2164","","10.1021/ol4006882","","","0.75","synchrotron","","0.2171","0.2016","","","0.4817","0.5027","","","","","","2.23","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511945","11.1536","0.0009","7.27","0.0006","16.7473","0.0014","90","","101.08","0.003","90","","1332.67","0.19","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Gogoi, Anupal; Guin, Srimanta; Rout, Saroj Kumar; Patel, Bhisma K.","A Copper-Catalyzed Synthesis of 3-Aroylindoles via a sp(3) C-H Bond Activation Followed by C-C and C-O Bond Formation.","Organic letters","2013","15","8","1802","1805","10.1021/ol400692b","","","0.71073","MoKα","","0.0872","0.0493","","","0.1117","0.1201","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511946","10.8673","0.0011","8.4827","0.0007","13.5712","0.0013","90","","108.588","0.001","90","","1185.79","0.19","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 N3 O4 -","- C27 H33 N3 O4 -","- C54 H66 N6 O8 -","2","1","","Cai, Shengxin; Luan, Yepeng; Kong, Xianglan; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Isolation and Photoinduced Conversion of 6-epi-Stephacidins fromAspergillus taichungensis","Organic Letters","2013","15","9","2168","","10.1021/ol400694h","","","0.71073","MoKα","","0.076","0.053","","","0.1325","0.1571","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511947","9.1499","0.0008","14.4705","0.0013","18.7607","0.0017","90","","90","","90","","2484","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 N3 O5 -","- C27 H33 N3 O5 -","- C108 H132 N12 O20 -","4","1","","Cai, Shengxin; Luan, Yepeng; Kong, Xianglan; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Isolation and Photoinduced Conversion of 6-epi-Stephacidins fromAspergillus taichungensis","Organic Letters","2013","15","9","2168","","10.1021/ol400694h","","","0.71073","MoKα","","0.0614","0.037","","","0.0656","0.0708","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511948","9.962","","18.792","","25.713","","108.23","","94.9","","91.61","","4547.66","","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","C60(CH2SiMe2Hex)2(PhCCCO2Et)","","- C151.5 H52 O2 S5 Si2 -","- C152.5 H52 O2 S5 Si2 -","- C305 H104 O4 S10 Si4 -","2","1","","Xiao, Zuo; Matsuo, Yutaka; Maruyama, Masashi; Nakamura, Eiichi","Regioselective [2 + 2] Cycloaddition of a Fullerene Dimer with an Alkyne Triggered by Thermolysis of an Interfullerene C‒C Bond","Organic Letters","2013","15","9","2176","","10.1021/ol400713t","","","0.71073","MoKα","","0.1829","0.0999","","","","0.3182","","","","","","0.977","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1511949","9.975","0.003","11.588","0.004","11.86","0.004","63.519","0.006","87.965","0.007","70.57","0.006","1146.8","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H36 O5 -","- C24 H36 O5 -","- C48 H72 O10 -","2","1","","Deng, Jun; Li, Ruofan; Luo, Yijie; Li, Jian; Zhou, Shupeng; Li, Yongjian; Hu, Jingyu; Li, Ang","Divergent total synthesis of taiwaniaquinones a and f and taiwaniaquinols B and d.","Organic letters","2013","15","8","2022","2025","10.1021/ol400717h","","","0.71073","MoKα","","0.1014","0.0563","","","0.1463","0.1699","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511950","14.81","0.005","14.81","0.005","21.949","0.008","90","","90","","120","","4169","3","100","2","100","2","","","","","","","chemical synthesis","4","P 3 2 1","P 3 2""","150","in,in-bis(triarylphosphine)","","","- C39 H30 P2 S3 -","- C39 H30 P2 S3 -","- C156 H120 P8 S12 -","4","0.666667","","Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A.","A Congestedin,in-Diphosphine","Organic Letters","2013","15","9","2179","","10.1021/ol400728m","","","0.71073","MoKα","","0.0683","0.0603","","","0.1726","0.1779","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511951","13.157","0.002","19.846","0.004","16.443","0.003","90","","94.875","0.003","90","","4278","1.3","100","2","100","2","","","","","","","chemical synthesis","6","P 1 21/n 1","-P 2yn","14","in,in-bis(triarylphosphine) hydrochloride","","","- C41 H35 Cl7 O P2 S3 -","- C41 H35 Cl7 O P2 S3 -","- C164 H140 Cl28 O4 P8 S12 -","4","1","","Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A.","A Congestedin,in-Diphosphine","Organic Letters","2013","15","9","2179","","10.1021/ol400728m","","","0.71073","MoKα","","0.0412","0.0344","","","0.085","0.09","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511952","17.7602","0.0007","10.5542","0.0004","21.7285","0.0008","90","","90","","90","","4072.9","0.3","100","2","100","2","","","","","","","chemical synthesis","5","P n a 21","P 2c -2n","33","in,in-bis(triarylphosphine) hexaoxide","","","- C42 H39 O7.5 P2 S4.5 -","- C42 H39 O7.5 P2 S4.5 -","- C168 H156 O30 P8 S18 -","4","1","","Zong, Jie; Mague, Joel T.; Kraml, Christina M.; Pascal, Robert A.","A Congestedin,in-Diphosphine","Organic Letters","2013","15","9","2179","","10.1021/ol400728m","","","1.54178","CuKα","","0.1015","0.0843","","","0.2269","0.2412","","","","","","1.068","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511953","6.364","0.0002","37.836","0.001","11.2212","0.0005","90","","102.122","0.002","90","","2641.69","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(5-(benzhydryloxy)pentan-2-yl)-1-tosylpiperidine","","- C30 H37 N O3 S -","- C30 H37 N O3 S -","- C120 H148 N4 O12 S4 -","4","1","","Payne, Philippa R.; Garcia, Pierre; Eisenberger, Patrick; Yim, Jacky C.-H.; Schafer, Laurel L.","Tantalum Catalyzed Hydroaminoalkylation for the Synthesis of α- and β-SubstitutedN-Heterocycles","Organic Letters","2013","15","9","2182","","10.1021/ol400729v","","x-ray","0.71073","MoKα","","0.0607","0.043","","","0.097","0.1051","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511954","11.918","0.001","12.068","0.001","15.455","0.001","98.412","0.001","108.485","0.002","108.125","0.001","1928.2","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H49 N6 Ta -","- C48 H49 N6 Ta -","- C96 H98 N12 Ta2 -","2","1","","Payne, Philippa R.; Garcia, Pierre; Eisenberger, Patrick; Yim, Jacky C.-H.; Schafer, Laurel L.","Tantalum Catalyzed Hydroaminoalkylation for the Synthesis of α- and β-SubstitutedN-Heterocycles","Organic Letters","2013","15","9","2182","","10.1021/ol400729v","","x-ray","0.71073","MoKα","","0.0189","0.017","","","0.0416","0.0429","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1511955","12.8417","0.0004","6.6522","0.0001","14.8628","0.0005","90","","109.357","0.004","90","","1197.89","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H33 N O3 -","- C28 H33 N O3 -","- C56 H66 N2 O6 -","2","1","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin via a Ring-Expansion Approach.","Organic letters","2013","15","8","2042","2045","10.1021/ol400735z","","","1.5418","CuKα","","0.0469","0.0376","","0.1101","0.0861","0.1101","","","","","","0.938","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511956","11.1676","0.0004","8.2551","0.0003","12.4524","0.0005","90","","90.8174","0.0016","90","","1147.87","0.07","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 Cl3 N O4 -","- C21 H26 Cl3 N O4 -","- C42 H52 Cl6 N2 O8 -","2","1","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin via a Ring-Expansion Approach.","Organic letters","2013","15","8","2042","2045","10.1021/ol400735z","","","0.71073","MoKα","","0.1118","0.0604","","0.0998","0.0697","0.0622","","","","","","1.0257","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511957","10.3223","0.0003","6.9861","0.0002","12.9927","0.0003","90","","101.708","0.003","90","","917.44","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C40 H50 N2 O8 -","2","1","","Davies, Stephen G.; Figuccia, Aude L. A.; Fletcher, Ai M.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of (-)-1-Deoxymannojirimycin and (+)-1-Deoxyallonojirimycin via a Ring-Expansion Approach.","Organic letters","2013","15","8","2042","2045","10.1021/ol400735z","","","1.5418","CuKα","","0.0326","0.0308","","0.064","0.0624","0.064","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511958","7.8204","0.0014","14.892","0.003","23.179","0.004","90","","90","","90","","2699.5","0.9","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H17 B F4 N2 -","- C13 H17 B F4 N2 -","- C104 H136 B8 F32 N16 -","8","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S.","Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group","Organic Letters","2013","15","9","2194","","10.1021/ol400746u","","","0.71073","MoKα","","0.1081","0.0578","","","0.1173","0.14","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511959","7.4246","0.0004","15.5642","0.001","21.89","0.0014","90","","90","","90","","2529.6","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H17 Br N2 -","- C13 H17 Br N2 -","- C104 H136 Br8 N16 -","8","1","","Ozeryanskii, Valery A.; Pozharskii, Alexander F.; Filarowski, Alexander; Borodkin, Gennady S.","Extreme Magnetic Separation of Geminal Protons in ProtonatedN,N,N′-Trimethyl-1,8-diaminonaphthalene. A Puzzle of the Fourth Methyl Group","Organic Letters","2013","15","9","2194","","10.1021/ol400746u","","","0.71073","MoKα","","0.0641","0.0374","","","0.0846","0.0977","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511960","9.681","0.0002","12.7183","0.0002","19.2223","0.0004","90","","90","","90","","2366.76","0.08","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 Br N2 O5 -","- C25 H27 Br N2 O5 -","- C100 H108 Br4 N8 O20 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Lorkin, Thomas J. A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of (-)-martinellic Acid.","Organic letters","2013","15","8","2050","2053","10.1021/ol4007508","","","0.71073","MoKα","","0.0468","0.0339","","0.0763","0.066","0.0763","","","","","","0.9336","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511961","6.8274","0.0001","11.2253","0.0002","27.9028","0.0005","90","","90","","90","","2138.46","0.06","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Br N2 O4 -","- C23 H25 Br N2 O4 -","- C92 H100 Br4 N8 O16 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Lee, James A.; Lorkin, Thomas J. A.; Roberts, Paul M.; Thomson, James E.","Asymmetric synthesis of (-)-martinellic Acid.","Organic letters","2013","15","8","2050","2053","10.1021/ol4007508","","","0.71073","MoKα","","0.0471","0.038","","0.0822","0.0766","0.0822","","","","","","0.9119","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511962","9.7546","0.0003","10.4476","0.0003","10.2161","0.0003","90","","99.939","0.003","90","","1025.52","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Prevezol C <b>1</b>","","","- C20 H33 Br O3 -","- C20 H33 Br O3 -","- C40 H66 Br2 O6 -","2","1","","Leung, Anna E.; Blair, Michael; Forsyth, Craig M.; Tuck, Kellie L.","Synthesis of the Proposed Structures of Prevezol C","Organic Letters","2013","15","9","2198","","10.1021/ol400754e","","","1.54184","CuKα","","0.0228","0.0225","","","0.0581","0.0584","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511963","8.9991","0.0002","10.9067","0.0003","10.2688","0.0002","90","","100.666","0.002","90","","990.47","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","Prevezol C <b>2</b>","","","- C20 H33 Br O3 -","- C20 H33 Br O3 -","- C40 H66 Br2 O6 -","2","1","","Leung, Anna E.; Blair, Michael; Forsyth, Craig M.; Tuck, Kellie L.","Synthesis of the Proposed Structures of Prevezol C","Organic Letters","2013","15","9","2198","","10.1021/ol400754e","","","1.54184","CuKα","","0.0242","0.0241","","","0.0653","0.0653","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511964","9.075","0.001","9.818","0.001","11.417","0.001","76.443","0.001","79.217","0.001","69.002","0.002","917.25","0.16","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C42 H40 O14 -","2","1","","Asai, Teigo; Otsuki, Sae; Sakurai, Hiroaki; Yamashita, Kouwa; Ozeki, Tomoji; Oshima, Yoshiteru","Benzophenones from an Endophytic Fungus, Graphiopsis chlorocephala, from Paeonia lactiflora Cultivated in the Presence of an NAD(+)-Dependent HDAC Inhibitor.","Organic letters","2013","15","8","2058","2061","10.1021/ol400781b","","","0.689","synchrotron","","0.0851","0.0684","","","0.1935","0.2086","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511965","22.7298","0.0008","7.4458","0.0003","14.682","0.0005","90","","106.344","0.001","90","","2384.39","0.15","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","1","","Coffman, Keith C.; Palazzo, Teresa A.; Hartley, Timothy P.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Heterocycle-Heterocycle Strategies: (2-Nitrophenyl)isoxazole Precursors to 4-Aminoquinolines, 1H-Indoles, and Quinolin-4(1H)-ones.","Organic letters","2013","15","8","2062","2065","10.1021/ol400787y","","","1.54178","CuKα","","0.0346","0.0342","","","0.0912","0.0916","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511966","7.3367","0.0002","8.3229","0.0002","10.8176","0.0002","94.29","0.001","98.457","0.001","96.954","0.001","645.67","0.03","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Coffman, Keith C.; Palazzo, Teresa A.; Hartley, Timothy P.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Heterocycle-Heterocycle Strategies: (2-Nitrophenyl)isoxazole Precursors to 4-Aminoquinolines, 1H-Indoles, and Quinolin-4(1H)-ones.","Organic letters","2013","15","8","2062","2065","10.1021/ol400787y","","","1.54178","CuKα","","0.0359","0.0328","","","0.0883","0.0911","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511967","7.395","0.0004","11.2941","0.0006","15.9223","0.0009","90","","98.801","0.002","90","","1314.17","0.12","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Coffman, Keith C.; Palazzo, Teresa A.; Hartley, Timothy P.; Fettinger, James C.; Tantillo, Dean J.; Kurth, Mark J.","Heterocycle-Heterocycle Strategies: (2-Nitrophenyl)isoxazole Precursors to 4-Aminoquinolines, 1H-Indoles, and Quinolin-4(1H)-ones.","Organic letters","2013","15","8","2062","2065","10.1021/ol400787y","","","1.54178","CuKα","","0.0353","0.0348","","","0.0883","0.0887","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511968","9.9191","0.0014","11.0491","0.0016","11.6448","0.0017","70.716","0.002","83.065","0.003","67.371","0.002","1111.9","0.3","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- C15 H12 -","- C15 H12 -","- C60 H48 -","4","2","","Gandeepan, Parthasarathy; Cheng, Chien-Hong","Pd-Catalyzed π-Chelation Assistedortho-C‒H Activation and Annulation of Allylarenes with Internal Alkynes","Organic Letters","2013","15","9","2084","","10.1021/ol400792y","","","0.71073","MoKα","","0.1143","0.0581","","","0.1376","0.178","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511969","8.6457","0.0002","21.8252","0.0004","11.2484","0.0002","90","","90.654","0.002","90","","2122.37","0.07","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H32 N2 O4 -","- C21 H32 N2 O4 -","- C84 H128 N8 O16 -","4","1","","Roy, O.; Caumes, C.; Esvan, Y.; Didierjean, C.; Faure, S.; Taillefumier, C.","Thetert-Butyl Side Chain: A Powerful Means to Lock Peptoid Amide Bonds in the Cis Conformation","Organic Letters","2013","15","9","2246","","10.1021/ol400820y","","x-ray","1.54018","","","0.0448","0.0381","","","0.0941","0.1004","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511970","9.065","0.004","9.097","0.003","13.423","0.005","90","","90.573","0.015","90","","1106.9","0.7","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Br N O8 -","- C22 H20 Br N O8 -","- C44 H40 Br2 N2 O16 -","2","1","","Liu, Kang; Teng, Huai-Long; Yao, Lu; Tao, Hai-Yan; Wang, Chun-Jiang","Silver-Catalyzed Enantioselective Desymmetrization: Facile Access to Spirolactone-Pyrrolidines Containing a Spiro Quaternary Stereogenic Center","Organic Letters","2013","15","9","2250","","10.1021/ol400821q","","","0.71073","MoKα","","0.0734","0.068","","","0.1712","0.1792","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511971","10.2524","0.001","13.6597","0.0014","17.1559","0.0018","90","","90","","90","","2402.6","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 Cl N O5 S -","- C25 H24 Cl N O5 S -","- C100 H96 Cl4 N4 O20 S4 -","4","1","","Liu, Kang; Teng, Huai-Long; Yao, Lu; Tao, Hai-Yan; Wang, Chun-Jiang","Silver-Catalyzed Enantioselective Desymmetrization: Facile Access to Spirolactone-Pyrrolidines Containing a Spiro Quaternary Stereogenic Center","Organic Letters","2013","15","9","2250","","10.1021/ol400821q","","","0.71073","MoKα","","0.0521","0.0359","","","0.0957","0.1036","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511972","5.7094","0.0005","8.0503","0.0007","12.0187","0.0011","96.617","0.001","102.096","0.002","90.948","0.001","536.07","0.08","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 N6 -","- C26 H22 N6 -","- C26 H22 N6 -","1","0.5","","Fan, Wei; Ye, Qin; Xu, Hai-Wei; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","Novel Double [3 + 2 + 1] Heteroannulation for Forming Unprecedented Dipyrazolo-Fused 2,6-Naphthyridines","Organic Letters","2013","15","9","2258","","10.1021/ol4008266","","","0.71073","MoKα","","0.1434","0.0665","","","0.1146","0.1324","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511973","6.2078","0.0006","14.3876","0.0013","14.9337","0.0013","90","","98.625","0.003","90","","1318.7","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H21 Br N2 O2 -","- C26 H21 Br N2 O2 -","- C52 H42 Br2 N4 O4 -","2","1","","Liu, Renrong; Zhang, Junliang","Organocatalytic Michael Addition of Indoles to Isatylidene-3-acetaldehydes: Application to the Formal Total Synthesis of (−)-Chimonanthine","Organic Letters","2013","15","9","2266","","10.1021/ol400845c","","","0.71073","MoKα","","0.0577","0.0522","","","0.1381","0.1417","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511974","7.2349","0.0008","18.662","0.002","10.0294","0.0011","90","","104.708","0.003","90","","1309.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C68 H52 N4 O8 -","4","1","","Liu, Renrong; Zhang, Junliang","Organocatalytic Michael Addition of Indoles to Isatylidene-3-acetaldehydes: Application to the Formal Total Synthesis of (−)-Chimonanthine","Organic Letters","2013","15","9","2266","","10.1021/ol400845c","","","0.71073","MoKα","","0.0433","0.0342","","","0.0895","0.0964","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511975","7.6708","0.0009","8.4422","0.0011","12.7475","0.0014","90","","105.477","0.006","90","","795.57","0.17","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O -","- C20 H22 O -","- C40 H44 O2 -","2","1","","Fujihara, Tetsuaki; Tatsumi, Kenta; Terao, Jun; Tsuji, Yasushi","Palladium-Catalyzed Formal Hydroacylation of Allenes Employing Acid Chlorides and Hydrosilanes","Organic Letters","2013","15","9","2286","","10.1021/ol400862k","","","0.7107","MoKα","","","0.0556","","","","0.1426","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511977","21.457","0.01","5.787","0.003","29.727","0.015","90","","98.372","0.015","90","","3652","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 F N O2.5 -","- C21 H25 F N O2.5 -","- C168 H200 F8 N8 O20 -","8","1","","Li, Yan; Wang, Xia; Zhang, Jinming; Deuther-Conrad, Winnie; Xie, Fang; Zhang, Xiaojun; Liu, Jian; Qiao, Jinping; Cui, Mengchao; Steinbach, Jörg; Brust, Peter; Liu, Boli; Jia, Hongmei","Synthesis and evaluation of novel (18)F-labeled spirocyclic piperidine derivatives as σ1 receptor ligands for positron emission tomography imaging.","Journal of medicinal chemistry","2013","56","9","3478","3491","10.1021/jm301734g","","","0.71073","MoKα","","0.05","0.0401","","","0.0979","0.1047","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511978","7.1242","0.0003","8.2157","0.0004","9.3814","0.0004","94.357","0.002","107.054","0.002","96.473","0.002","518.16","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C22 H30 N2 O4 -","2","1","","Jana, Sankar; Dalapati, Sasanka; Guchhait, Nikhil","Excited State Intramolecular Charge Transfer Suppressed Proton Transfer Process in 4-(Diethylamino)-2-hydroxybenzaldehyde.","The journal of physical chemistry. A","2013","117","21","4367","4376","10.1021/jp3120463","","","0.71073","MoKα","","0.0727","0.0633","","","0.1918","0.2042","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511979","15.399","0.005","10.82","0.004","9.613","0.003","90","","90","","90","","1601.7","0.9","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","OH1","2-(3-(2-(4-Hydroxyphenyl)vinyl)-5,5-dimethylcyclohex-2-en-1-ylidene)-malononit rile","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil","Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations","The Journal of Physical Chemistry C","2013","117","18","9416","","10.1021/jp400648q","","","0.71075","MoKα","","0.0447","0.0443","","","0.1278","0.1283","","","","","","1.146","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511980","15.393","0.003","10.798","0.002","9.5855","0.0019","90","","90","","90","","1593.2","0.5","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","OH1","2-(3-(2-(4-Hydroxyphenyl)vinyl)-5,5-dimethylcyclohex-2-en-1-ylidene)-malononit rile","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil","Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations","The Journal of Physical Chemistry C","2013","117","18","9416","","10.1021/jp400648q","","neutron","","neutron","","0.0511","0.0309","","","0.0433","0.0464","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511981","15.3711","0.0001","10.7478","0.0001","9.5826","0.0001","90","","90","","90","","1583.1","0.02","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","OH1","2-(3-(2-(4-Hydroxyphenyl)vinyl)-5,5-dimethylcyclohex-2-en-1-ylidene)-malononit rile","","- C19 H18 N2 O -","- C19 H18 N2 O -","- C76 H72 N8 O4 -","4","1","","Lin, Tze-Chia; Cole, Jacqueline M.; Higginbotham, Andrew P.; Edwards, Alison J.; Piltz, Ross O.; Pérez-Moreno, Javier; Seo, Ji-Youn; Lee, Seung-Chul; Clays, Koen; Kwon, O-Pil","Molecular Origins of the High-Performance Nonlinear Optical Susceptibility in a Phenolic Polyene Chromophore: Electron Density Distributions, Hydrogen Bonding, and ab Initio Calculations","The Journal of Physical Chemistry C","2013","117","18","9416","","10.1021/jp400648q","","","1.54178","CuKα","","0.0289","0.0288","","","0.0814","0.0814","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511982","12.6057","0.0004","13.8157","0.0004","25.128","0.0008","90","","99.242","0.002","90","","4319.4","0.2","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H43 Cl O8 P2 Pd -","- C48 H43 Cl O8 P2 Pd -","- C192 H172 Cl4 O32 P8 Pd4 -","4","1","","Barquera-Lozada, José Enrique; Obenhuber, Andreas; Hauf, Christoph; Scherer, Wolfgang","On the chemical shifts of agostic protons.","The journal of physical chemistry. A","2013","117","20","4304","4315","10.1021/jp4013174","","","0.71073","MoKα","","0.0349","0.028","","","0.0804","0.0823","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511983","7.054","0.004","12.84","0.006","8.232","0.004","90","","90","","90","","745.6","0.7","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0452","0.0332","","","0.0689","0.0719","","","","","","0.892","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511984","6.971","0.002","12.783","0.005","8.247","0.006","90","","90","","90","","734.9","0.6","296","2","296","2","","","100000","","","","","3","P n a 21","P 2c -2n","33","pyrazole","","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.1583","0.0949","","","0.2124","0.24","","","","","","1.229","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511985","6.8805","0.0008","12.6682","0.0017","8.209","0.003","90","","90","","90","","715.5","0.3","296","2","296","2","","","250000","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0594","0.0388","","","0.102","0.1168","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511986","6.749","0.003","12.599","0.006","8.191","0.004","90","","90","","90","","696.5","0.6","296","2","296","2","","","480000","","","","","3","P n a b","-P 2bc 2n","60","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","1","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0654","0.058","","","0.1347","0.1384","","","","","","1.248","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511987","6.6851","0.001","12.492","0.002","8.146","0.003","90","","90","","90","","680.3","0.3","296","2","296","2","","","550000","","","","","3","P n a b","-P 2bc 2n","60","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","1","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0721","0.0624","","","0.1407","0.1452","","","","","","1.226","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511988","6.612","0.003","12.385","0.009","8.099","0.007","90","","90","","90","","663.2","0.8","296","2","296","2","","","900000","","","","","3","P n a b","-P 2bc 2n","60","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","1","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0677","0.0608","","","0.0911","0.0933","","","","","","1.325","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511989","6.45","0.002","12.224","0.002","8.0651","0.0011","90","","90","","90","","635.9","0.2","296","2","296","2","","","1700000","","","","","3","P n a b","-P 2bc 2n","60","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","1","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0663","0.0604","","","0.1358","0.1381","","","","","","1.35","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511990","6.392","0.005","12.04","0.01","8.052","0.007","90","","90","","90","","619.7","0.9","296","2","296","2","","","2250000","","","","","3","P n a b","-P 2bc 2n","60","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","1","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0617","0.0552","","","0.0863","0.0887","","","","","","1.438","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511991","6.3573","0.0017","12.03","0.003","7.984","0.003","90","","90","","90","","610.6","0.3","296","2","296","2","","","2600000","","","","","3","P n a b","-P 2bc 2n","60","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","1","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0637","0.0518","","","0.0978","0.1024","","","","","","1.278","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511992","6.147","0.003","11.648","0.011","7.876","0.007","90","","90","","90","","563.9","0.8","296","2","296","2","","","4400000","","","","","3","P n a b","-P 2bc 2n","60","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","1","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0743","0.0578","","","0.1712","0.1797","","","","","","1.424","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511993","6.0669","0.0017","11.554","0.009","7.814","0.006","90","","90","","90","","547.7","0.6","296","2","296","2","","","5500000","","","","","3","P n a b","-P 2bc 2n","60","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","1","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0435","0.0306","","","0.067","0.0745","","","","","","1.205","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511994","6.8012","0.0003","12.5689","0.0005","8.2278","0.0004","90","","90","","90","","703.34","0.05","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0349","0.0305","","","0.0764","0.0778","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511995","6.8045","0.0003","12.5768","0.0006","8.2278","0.0004","90","","90","","90","","704.13","0.06","110","2","110","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0353","0.0301","","","0.073","0.0744","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511996","6.8163","0.0003","12.5868","0.0005","8.2275","0.0003","90","","90","","90","","705.88","0.05","120","2","120","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0361","0.0304","","","0.0745","0.0762","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511997","6.8245","0.0003","12.5972","0.0005","8.2273","0.0004","90","","90","","90","","707.3","0.05","130","2","130","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0367","0.031","","","0.0769","0.0784","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511998","6.8306","0.0004","12.6103","0.0006","8.2284","0.0004","90","","90","","90","","708.76","0.06","140","2","140","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0362","0.0305","","","0.0706","0.072","","","","","","0.976","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511999","6.8442","0.0003","12.6228","0.0005","8.2283","0.0004","90","","90","","90","","710.87","0.05","150","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0376","0.0311","","","0.073","0.0746","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512000","6.8508","0.0004","12.6373","0.0006","8.2299","0.0004","90","","90","","90","","712.51","0.06","160","2","160","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0375","0.0312","","","0.0725","0.0741","","","","","","0.976","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512001","6.8614","0.0004","12.65","0.0006","8.2274","0.0005","90","","90","","90","","714.11","0.07","170","2","170","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0386","0.0317","","","0.072","0.0736","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512002","6.8794","0.0004","12.6652","0.0006","8.2302","0.0004","90","","90","","90","","717.09","0.06","180","2","180","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0388","0.0315","","","0.0706","0.0723","","","","","","0.935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512003","6.8902","0.0004","12.6822","0.0006","8.2327","0.0004","90","","90","","90","","719.4","0.06","190","2","190","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0386","0.0308","","","0.0691","0.0709","","","","","","0.907","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512004","6.903","0.0004","12.6968","0.0006","8.2321","0.0004","90","","90","","90","","721.51","0.06","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0419","0.0331","","","0.0717","0.0737","","","","","","0.939","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512005","6.9155","0.0004","12.7076","0.0006","8.2322","0.0004","90","","90","","90","","723.44","0.06","210","2","210","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0436","0.0339","","","0.0744","0.0768","","","","","","0.918","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512006","6.9234","0.0004","12.7234","0.0006","8.2337","0.0004","90","","90","","90","","725.3","0.06","220","2","220","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0458","0.0353","","","0.0792","0.0815","","","","","","0.951","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512007","6.9397","0.0004","12.7371","0.0006","8.2303","0.0004","90","","90","","90","","727.49","0.06","230","2","230","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0463","0.0348","","","0.0873","0.0897","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512008","6.9533","0.0005","12.7634","0.0009","8.2281","0.0006","90","","90","","90","","730.23","0.09","240","2","240","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0491","0.0348","","","0.0927","0.096","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512009","6.9692","0.0007","12.7818","0.0011","8.2245","0.0007","90","","90","","90","","732.63","0.12","250","2","250","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0508","0.0372","","","0.0981","0.1012","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512010","6.9782","0.0007","12.798","0.001","8.2237","0.0007","90","","90","","90","","734.43","0.11","260","2","260","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0531","0.0365","","","0.0947","0.0987","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512011","6.9934","0.0006","12.8124","0.0009","8.2255","0.0006","90","","90","","90","","737.02","0.1","270","2","270","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0523","0.0355","","","0.0913","0.095","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512012","7.01","0.0006","12.831","0.0009","8.2285","0.0006","90","","90","","90","","740.11","0.1","280","2","280","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.055","0.0351","","","0.0805","0.0847","","","","","","0.916","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512013","7.0252","0.0006","12.8396","0.0009","8.2185","0.0006","90","","90","","90","","741.31","0.1","290","2","290","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0571","0.0359","","","0.0797","0.0842","","","","","","0.887","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512014","7.0396","0.001","12.8637","0.0016","8.22","0.001","90","","90","","90","","744.36","0.17","300","2","300","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0624","0.0364","","","0.0694","0.0748","","","","","","0.853","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512015","7.0814","0.0011","12.8818","0.0018","8.2503","0.0008","90","","90","","90","","752.6","0.17","310","2","310","2","","","","","","","","3","P n a 21","P 2c -2n","33","pyrazole","pyrazole","","- C3 H4 N2 -","- C3 H4 N2 -","- C24 H32 N16 -","8","2","","Sikora, Magdalena; Katrusiak, Andrzej","Pressure-Controlled Neutral‒Ionic Transition and Disordering of NH···N Hydrogen Bonds in Pyrazole","The Journal of Physical Chemistry C","2013","117","20","10661","","10.1021/jp401389v","","","0.71073","MoKα","","0.0842","0.037","","","0.0663","0.0741","","","","","","0.796","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512016","20.2533","0.0009","16.2649","0.0007","10.5531","0.0005","90","","103.911","0.002","90","","3374.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Fe I2 N6 O3 -","- C36 H30 Fe I2 N6 O3 -","- C144 H120 Fe4 I8 N24 O12 -","4","1","","Qiu, Yanxuan; Yang, Meng; Chen, Wenbin; Su, Yuzhi; Ouyang, Zhenjie; Yan, Hua; Gao, Feixian; Dong, Wen","Crystal structures, UV spectra of solid iodide anionic water clusters I(-)(H2O)(1-4), and electrochemical reaction of I(-)(H2O)(1-4) →I· + e(-)(H2O)(1-4).","The journal of physical chemistry. A","2013","117","19","4051","4056","10.1021/jp402279k","","","0.71073","MoKα","","0.0234","0.0222","","","0.0552","0.0558","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512017","19.3322","0.0004","15.7956","0.0003","25.3442","0.0005","90","","99.368","0.002","90","","7636","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H66 I4 N12 O9 Zn2 -","- C72 H66 I4 N12 O9 Zn2 -","- C288 H264 I16 N48 O36 Zn8 -","4","0.5","","Qiu, Yanxuan; Yang, Meng; Chen, Wenbin; Su, Yuzhi; Ouyang, Zhenjie; Yan, Hua; Gao, Feixian; Dong, Wen","Crystal structures, UV spectra of solid iodide anionic water clusters I(-)(H2O)(1-4), and electrochemical reaction of I(-)(H2O)(1-4) →I· + e(-)(H2O)(1-4).","The journal of physical chemistry. A","2013","117","19","4051","4056","10.1021/jp402279k","","","0.71073","MoKα","","0.0827","0.0617","","","0.1512","0.1633","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512018","14.8694","0.0009","14.9782","0.001","16.7758","0.0011","102.749","0.001","113.644","0.001","93.72","0.001","3288.7","0.4","125","2","125","2","","","","","","","","5","P -1","-P 1","2","(N,N-Bis(3,5-di-tert-butyl-2-benzyloxy)-2-(2-aminoethoxy)ethoxy)aluminum [(tBu-SalAmEE)Al]","","","- C34 H52 Al N O4 -","- C34 H52 Al N O4 -","- C136 H208 Al4 N4 O16 -","4","2","","Reisberg, Solomon H.; Hurley, Harry J.; Mathers, Robert T.; Tanski, Joseph M.; Getzler, Yutan D. Y. L.","Lactide Cyclopolymerization Kinetics, X-ray Structure, and Solution Dynamics of (tBu-SalAmEE)Al and a Cautionary Tale Of Polymetalate Formation","Macromolecules","2013","46","9","3273","","10.1021/ma400046x","","","0.71073","MoKα","","0.1645","0.0707","","","0.1473","0.1809","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512019","15.7323","0.0007","25.4667","0.0011","11.7586","0.0005","90","","106.335","0.001","90","","4520.9","0.3","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H138 Al4 N2 O8 -","- C88 H138 Al4 N2 O8 -","- C176 H276 Al8 N4 O16 -","2","0.5","","Reisberg, Solomon H.; Hurley, Harry J.; Mathers, Robert T.; Tanski, Joseph M.; Getzler, Yutan D. Y. L.","Lactide Cyclopolymerization Kinetics, X-ray Structure, and Solution Dynamics of (tBu-SalAmEE)Al and a Cautionary Tale Of Polymetalate Formation","Macromolecules","2013","46","9","3273","","10.1021/ma400046x","","","0.71073","MoKα","","0.0709","0.0445","","","0.1081","0.123","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512020","16.701","0.002","11.1116","0.0014","19.871","0.002","90","","102.454","0.002","90","","3600.8","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 Lu N3 O2 Si2 -","- C32 H50 Lu N3 O2 Si2 -","- C128 H200 Lu4 N12 O8 Si8 -","4","2","","Liu, Hui; He, Jianyun; Liu, Zhanxiong; Lin, Zhengguo; Du, Gaixia; Zhang, Shaowen; Li, Xiaofang","Quasi-Living trans-1,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Bearing a Chiral (S,S)-Bis(oxazolinylphenyl)amido Ligand","Macromolecules","2013","46","9","3257","","10.1021/ma4005549","","","0.71073","MoKα","","0.098","0.0699","","","0.1889","0.2786","","","","","","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512021","13.834","0.002","15.388","0.002","39.08","0.005","90","","90","","90","","8319.3","1.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C76 H128 N6 O4 Si4 Tm2 -","- C76 H128 N6 O4 Si4 Tm2 -","- C304 H512 N24 O16 Si16 Tm8 -","4","1","","Liu, Hui; He, Jianyun; Liu, Zhanxiong; Lin, Zhengguo; Du, Gaixia; Zhang, Shaowen; Li, Xiaofang","Quasi-Living trans-1,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Bearing a Chiral (S,S)-Bis(oxazolinylphenyl)amido Ligand","Macromolecules","2013","46","9","3257","","10.1021/ma4005549","","","0.71073","MoKα","","0.1066","0.0606","","","0.1224","0.1598","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512022","11.0086","0.0013","16.54","0.002","19.816","0.002","90","","101.808","0.002","90","","3531.8","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 N3 O2 Sc Si2 -","- C32 H50 N3 O2 Sc Si2 -","- C128 H200 N12 O8 Sc4 Si8 -","4","2","","Liu, Hui; He, Jianyun; Liu, Zhanxiong; Lin, Zhengguo; Du, Gaixia; Zhang, Shaowen; Li, Xiaofang","Quasi-Living trans-1,4-Polymerization of Isoprene by Cationic Rare Earth Metal Alkyl Species Bearing a Chiral (S,S)-Bis(oxazolinylphenyl)amido Ligand","Macromolecules","2013","46","9","3257","","10.1021/ma4005549","","","0.71073","MoKα","","0.0556","0.0483","","","0.1282","0.1359","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512023","13.646","0.003","8.3619","0.0017","14.658","0.003","90","","115.775","0.011","90","","1506.2","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","nor-rhazinicine","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","2","","Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.","Journal of natural products","2013","76","5","957","964","10.1021/np400214y","","","0.71073","MoKα","","0.1554","0.1416","","","0.3237","0.3423","","","","","","1.294","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512024","7.3486","0.0004","15.0738","0.0007","16.674","0.0008","90","","90","","90","","1847","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leuconodine A","","","- C21 H28 N2 O4 -","- C21 H28 N2 O4 -","- C84 H112 N8 O16 -","4","1","","Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.","Journal of natural products","2013","76","5","957","964","10.1021/np400214y","","","0.71073","MoKα","","0.1133","0.0512","","","0.1044","0.1263","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512025","8.0382","0.0005","14.5281","0.0009","15.2187","0.0008","90","","90","","90","","1777.24","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Leuconodine B (scholarisine G)","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.","Journal of natural products","2013","76","5","957","964","10.1021/np400214y","","","0.71073","MoKα","","0.0801","0.0491","","","0.0988","0.1091","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512026","8.1326","0.0007","10.6116","0.0009","18.2366","0.0017","90","","90","","90","","1573.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","leuconodine E","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.","Journal of natural products","2013","76","5","957","964","10.1021/np400214y","","","0.71073","MoKα","","0.0654","0.0403","","","0.0858","0.0966","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512027","6.9763","0.0005","13.1038","0.001","17.5908","0.0013","90","","90","","90","","1608.1","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 Cl N O -","- C16 H28 Cl N O -","- C64 H112 Cl4 N4 O4 -","4","1","","Dalton, Derek M.; Rovis, Tomislav","Catalytic, Asymmetric Indolizidinone Aza-Quaternary Stereocenter Synthesis: Expedient Synthesis of the Cylindricine Alkaloid Core","Organic Letters","2013","15","10","2346","","10.1021/ol400529k","","","0.71073","MoKα","","0","0.0599","","","0.1535","0.1661","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512028","5.61159","0.0001","11.5643","0.0003","24.3578","0.0004","90","","90","","90","","1580.68","0.06","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N2 O3 S -","- C13 H11 Br N2 O3 S -","- C52 H44 Br4 N8 O12 S4 -","4","1","","Simpson, Alain J.; Lam, Hon Wai","Enantioselective nickel-catalyzed Michael additions of 2-acetylazaarenes to nitroalkenes.","Organic letters","2013","15","11","2586","2589","10.1021/ol400578c","","","0.71073","MoKα","","0.0401","0.0305","","","0.0713","0.0744","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512029","8.553","0.001","20.159","0.002","12.1697","0.0013","90","","101.109","0.003","90","","2059","0.4","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N Si -","- C28 H21 N Si -","- C112 H84 N4 Si4 -","4","1","","Tokoro, Yuichiro; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis of Dibenzo[b,f]silepins with a Benzoquinolyl Ligand","Organic Letters","2013","15","10","2366","","10.1021/ol400730n","","","0.71075","MoKα","","0.051","0.0411","","","0.1307","0.1678","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512030","7.8852","0.0006","14.9048","0.0012","17.1614","0.0013","90","","99.5","0.002","90","","1989.3","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 N O Si -","- C27 H19 N O Si -","- C108 H76 N4 O4 Si4 -","4","1","","Tokoro, Yuichiro; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis of Dibenzo[b,f]silepins with a Benzoquinolyl Ligand","Organic Letters","2013","15","10","2366","","10.1021/ol400730n","","","0.71075","MoKα","","0.0906","0.0591","","","0.1562","0.2166","","","","","","1.169","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512031","9.4606","0.0007","11.498","0.0006","9.8624","0.0005","90","","109.521","0.003","90","","1011.15","0.11","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H18 F N Si -","- C27 H18 F N Si -","- C54 H36 F2 N2 Si2 -","2","1","","Tokoro, Yuichiro; Tanaka, Kazuo; Chujo, Yoshiki","Synthesis of Dibenzo[b,f]silepins with a Benzoquinolyl Ligand","Organic Letters","2013","15","10","2366","","10.1021/ol400730n","","","0.71075","MoKα","","0.051","0.0342","","","0.0689","0.0919","","","","","","1.161","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512032","6.8452","0.0014","8.3203","0.0017","14.503","0.003","95.38","0.03","96.01","0.03","107.25","0.03","777.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C34 H36 N8 O6 -","2","1","","Li, Qi; Li, Guang; Ma, Shaobo; Feng, Pengju; Shi, Yian","An approach to the skeleton of aspidophylline a.","Organic letters","2013","15","11","2601","2603","10.1021/ol4007713","","","0.71073","MoKα","","0.0469","0.0438","","","0.1057","0.1081","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512033","7.743","0.004","20.491","0.01","10.441","0.006","90","","106.285","0.007","90","","1590.1","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O3 -","- C17 H18 N4 O3 -","- C68 H72 N16 O12 -","4","1","","Li, Qi; Li, Guang; Ma, Shaobo; Feng, Pengju; Shi, Yian","An approach to the skeleton of aspidophylline a.","Organic letters","2013","15","11","2601","2603","10.1021/ol4007713","","","0.71073","MoKα","","0.1123","0.0958","","","0.2674","0.3161","","","","","","2.354","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512034","9.611","0.002","27.655","0.008","7.103","0.003","90","","96.212","0.004","90","","1876.8","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl3 N2 O4 -","- C19 H19 Cl3 N2 O4 -","- C76 H76 Cl12 N8 O16 -","4","1","","Li, Qi; Li, Guang; Ma, Shaobo; Feng, Pengju; Shi, Yian","An approach to the skeleton of aspidophylline a.","Organic letters","2013","15","11","2601","2603","10.1021/ol4007713","","","0.71073","MoKα","","0.0508","0.0452","","","0.1074","0.1118","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512035","18.314","0.012","4.669","0.003","16.383","0.011","90","","92.828","0.011","90","","1399.2","1.6","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 O2 -","- C36 H42 O2 -","- C72 H84 O4 -","2","0.5","","Lv, Na; Xie, Meilan; Gu, Weibing; Ruan, Huanyang; Qiu, Song; Zhou, Chunshan; Cui, Zheng","Synthesis, Properties, and Structures of Functionalizedperi-Xanthenoxanthene","Organic Letters","2013","15","10","2382","","10.1021/ol400790d","","","0.71073","MoKα","","0.1058","0.0756","","","0.202","0.2312","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512036","7.5749","0.0012","9.3554","0.0015","9.7521","0.0016","87.313","0.003","76.401","0.003","88.405","0.003","670.88","0.19","140","2","140","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H42 O2 -","- C36 H42 O2 -","- C36 H42 O2 -","1","0.5","","Lv, Na; Xie, Meilan; Gu, Weibing; Ruan, Huanyang; Qiu, Song; Zhou, Chunshan; Cui, Zheng","Synthesis, Properties, and Structures of Functionalizedperi-Xanthenoxanthene","Organic Letters","2013","15","10","2382","","10.1021/ol400790d","","","0.71073","MoKα","","0.0784","0.0495","","","0.1425","0.1817","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512037","36.68","0.012","4.7179","0.0016","16.708","0.006","90","","105.089","0.006","90","","2791.7","1.7","140","2","140","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 O2 -","- C36 H42 O2 -","- C144 H168 O8 -","4","0.5","","Lv, Na; Xie, Meilan; Gu, Weibing; Ruan, Huanyang; Qiu, Song; Zhou, Chunshan; Cui, Zheng","Synthesis, Properties, and Structures of Functionalizedperi-Xanthenoxanthene","Organic Letters","2013","15","10","2382","","10.1021/ol400790d","","","0.71073","MoKα","","0.0941","0.0507","","","0.1259","0.1491","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512038","14.7579","0.0002","10.3799","0.0002","22.7275","0.0004","90","","90","","90","","3481.52","0.1","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C176 H128 N32 O16 -","16","2","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0547","0.0356","","0.0903","0.0809","0.0903","","","","","","0.9785","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512039","6.1127","0.0002","11.3456","0.0005","28.0659","0.0011","90","","91.5937","0.0018","90","","1945.68","0.13","200","","200","","","","","","","","local","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cl3 N2 O2 Si -","- C16 H15 Cl3 N2 O2 Si -","- C64 H60 Cl12 N8 O8 Si4 -","4","1","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0884","0.0696","","0.2091","0.1898","0.2091","","","","","","1.0235","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512040","13.8283","0.0006","7.4374","0.0002","24.5877","0.0009","90","","90","","90","","2528.76","0.16","200","","200","","","","","","","","local","4","P b c a","-P 2ac 2ab","61","","","","- C17 H12 N2 O -","- C17 H12 N2 O -","- C136 H96 N16 O8 -","8","1","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0784","0.0459","","0.1055","0.0935","0.1055","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512041","8.2495","0.0001","22.3491","0.0003","13.1812","0.0002","90","","100.218","0.0007","90","","2391.66","0.06","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H7 I N2 O -","- C6 H7 I N2 O -","- C72 H84 I12 N24 O12 -","12","3","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0319","0.0252","","0.0619","0.0601","0.0619","","","","","","0.9769","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512042","12.3949","0.0002","12.5045","0.0003","17.7115","0.0004","90","","94.3358","0.0013","90","","2737.28","0.1","200","","200","","","","","","","","local","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 N2 O Si -","- C13 H16 N2 O Si -","- C104 H128 N16 O8 Si8 -","8","1","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0492","0.0418","","0.1193","0.1139","0.1193","","","","","","0.9984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512043","10.4811","0.0002","12.0788","0.0003","11.7324","0.0003","90","","112.056","0.0014","90","","1376.62","0.06","200","","200","","","","","","","","local","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O Si -","- C13 H16 N2 O Si -","- C52 H64 N8 O4 Si4 -","4","1","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.061","0.0501","","0.1441","0.1377","0.1441","","","","","","0.9913","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512044","13.3557","0.0001","15.3193","0.0002","14.7851","0.0002","90","","107.192","0.0008","90","","2889.87","0.06","200","","200","","","","","","","","local","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Au N3 O P -","- C30 H33 Au N3 O P -","- C120 H132 Au4 N12 O4 P4 -","4","1","","Sharp, Phillip P.; Banwell, Martin G.; Renner, Jens; Lohmann, Klaas; Willis, Anthony C.","Consecutive Gold(I)-Catalyzed Cyclization Reactions of o-(Buta-1,3-diyn-1-yl-)-Substituted N-Aryl Ureas: A One-Pot Synthesis of Pyrimido[1,6-a]indol-1(2H)-ones and Related Systems.","Organic letters","2013","15","11","2616","2619","10.1021/ol4007986","","","0.71073","MoKα","","0.0361","0.0251","","0.0548","0.05","0.0548","","","","","","0.9879","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512045","6.113","0.0009","23.108","0.003","15.156","0.002","90","","91.651","0.002","90","","2140","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 O2 S -","- C25 H24 N2 O2 S -","- C100 H96 N8 O8 S4 -","4","1","","Wang, Shaoyin; Chai, Zhuo; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Wei, Yun","A Novel Lewis Acid Catalyzed [3 + 3]-Annulation Strategy for the Syntheses of Tetrahydro-β-Carbolines and Tetrahydroisoquinolines.","Organic letters","2013","15","11","2628","2631","10.1021/ol4008525","","","0.71073","MoKα","","0.1484","0.0533","","","0.0898","0.1186","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512046","6.096","0.003","23.371","0.011","15.284","0.007","90","","92.241","0.006","90","","2175.8","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 F N2 O2 S -","- C25 H23 F N2 O2 S -","- C100 H92 F4 N8 O8 S4 -","4","1","","Wang, Shaoyin; Chai, Zhuo; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Wei, Yun","A Novel Lewis Acid Catalyzed [3 + 3]-Annulation Strategy for the Syntheses of Tetrahydro-β-Carbolines and Tetrahydroisoquinolines.","Organic letters","2013","15","11","2628","2631","10.1021/ol4008525","","","0.71073","MoKα","","0.1138","0.0809","","","0.2278","0.2542","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512047","10.096","0.002","11.421","0.003","20.313","0.004","90","","90","","90","","2342.2","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O2 S -","- C28 H25 N O2 S -","- C112 H100 N4 O8 S4 -","4","1","","Wang, Shaoyin; Chai, Zhuo; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Wei, Yun","A Novel Lewis Acid Catalyzed [3 + 3]-Annulation Strategy for the Syntheses of Tetrahydro-β-Carbolines and Tetrahydroisoquinolines.","Organic letters","2013","15","11","2628","2631","10.1021/ol4008525","","","0.71073","MoKα","","0.0357","0.0323","","","0.0827","0.0859","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512048","10.1751","0.0009","10.5681","0.0009","12.5199","0.0011","67.493","0.001","75.227","0.001","75.326","0.001","1184.22","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl N O2 S -","- C28 H24 Cl N O2 S -","- C56 H48 Cl2 N2 O4 S2 -","2","1","","Wang, Shaoyin; Chai, Zhuo; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Wei, Yun","A Novel Lewis Acid Catalyzed [3 + 3]-Annulation Strategy for the Syntheses of Tetrahydro-β-Carbolines and Tetrahydroisoquinolines.","Organic letters","2013","15","11","2628","2631","10.1021/ol4008525","","","0.71073","MoKα","","0.0636","0.0445","","","0.1065","0.1177","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512049","20.4458","0.0019","8.6442","0.0007","27.52","0.002","90","","110.55","0.002","90","","4554.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 N O5 S -","- C24 H27 N O5 S -","- C192 H216 N8 O40 S8 -","8","1","","Wang, Shaoyin; Chai, Zhuo; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Wei, Yun","A Novel Lewis Acid Catalyzed [3 + 3]-Annulation Strategy for the Syntheses of Tetrahydro-β-Carbolines and Tetrahydroisoquinolines.","Organic letters","2013","15","11","2628","2631","10.1021/ol4008525","","","0.71073","MoKα","","0.0779","0.0602","","","0.1817","0.1978","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512050","39.94","0.008","21.107","0.004","18.631","0.004","90","","104.88","0.03","90","","15179","6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H26.25 O6.12 -","- C21 H26 O6 -","- C672 H832 O192 -","32","4","","Saitman, Alec; Theodorakis, Emmanuel A.","Synthesis of a Highly Functionalized Core of Verrillin","Organic Letters","2013","15","10","2410","","10.1021/ol400872h","","","0.71073","MoKα","","0.0955","0.0536","","","0.1188","0.132","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512051","10.9278","0.0004","7.8689","0.0003","17.8522","0.0008","90","","97.429","0.002","90","","1522.22","0.11","296","2","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Saitman, Alec; Theodorakis, Emmanuel A.","Synthesis of a Highly Functionalized Core of Verrillin","Organic Letters","2013","15","10","2410","","10.1021/ol400872h","","","0.71073","MOKα","","0.148","0.0674","","","0.1433","0.1847","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512052","6.42235","0.00012","10.7946","0.0002","24.6088","0.0005","90","","90","","90","","1706.05","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","","Takechi, Sho; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Mannich-Type Reaction of α-Sulfanyl Lactones.","Organic letters","2013","15","11","2632","2635","10.1021/ol4008734","","","1.54187","CuKα","","","0.0309","","","","0.084","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512053","26.4401","0.0018","22.3692","0.0009","18.4184","0.0014","90","","131.651","0.012","90","","8139.7","1.8","143","0.1","143","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H52 N4 O5 -","- C36 H52 N4 O5 -","- C288 H416 N32 O40 -","8","2","","Feng, Juhua; Fu, Xuan; Chen, Zhenling; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming","Efficient enantioselective synthesis of dihydropyrans using a chiral n,n'-dioxide as organocatalyst.","Organic letters","2013","15","11","2640","2643","10.1021/ol400894j","","","0.7107","MoKα","","0.1419","0.1136","","","0.3001","0.326","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512054","4.546","0.002","12.028","0.005","25.78","0.01","90","","90","","90","","1409.6","1","123.2","","123.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","Sakai, Takahiro; Soeta, Takahiro; Endo, Kohei; Fujinami, Shuhei; Ukaji, Yutaka","Magnesium‒Tartramide Complex Mediated Asymmetric Strecker-Type Reaction of Nitrones Using Cyanohydrin","Organic Letters","2013","15","10","2422","","10.1021/ol400898p","","","0.7107","MoKα","","","0.0615","","","","0.0796","","","","","","1.012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512055","8.2665","0.001","15.4258","0.0019","13.4105","0.0016","90","","96.438","0.007","90","","1699.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","","Bhunia, Subhajit; Ghosh, Santanu; Dey, Dhananjay; Bisai, Alakesh","DDQ-mediated Direct Intramolecular-Dehydrogenative-Coupling (IDC): Expeditious Approach to the Tetracyclic Core of Ergot Alkaloids","Organic Letters","2013","15","10","2426","","10.1021/ol400899e","","","0.71073","MoKα","","0.0699","0.0497","","","0.1368","0.1488","","","","","","1.036","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512056","8.487","0.0007","16.8559","0.0015","12.9682","0.0012","90","","95.375","0.005","90","","1847","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","1","","Bhunia, Subhajit; Ghosh, Santanu; Dey, Dhananjay; Bisai, Alakesh","DDQ-mediated Direct Intramolecular-Dehydrogenative-Coupling (IDC): Expeditious Approach to the Tetracyclic Core of Ergot Alkaloids","Organic Letters","2013","15","10","2426","","10.1021/ol400899e","","","0.71073","MoKα","","0.057","0.0435","","","0.1088","0.1198","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512057","7.7627","0.0003","11.0574","0.0004","11.2765","0.0004","90","","103.614","0.002","90","","940.73","0.06","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","","Bartlett, Mark J.; Turner, Claire A.; Harvey, Joanne E.","Pd-Catalyzed Allylic Alkylation Cascade with Dihydropyrans: Regioselective Synthesis of Furo[3,2-c]pyrans","Organic Letters","2013","15","10","2430","","10.1021/ol400902d","","","0.71073","MoKα","","0.0488","0.0468","","","0.1163","0.1176","","","","","","1.198","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512058","9.2293","0.0003","11.9799","0.0005","9.5067","0.0003","90","","110.433","0.002","90","","984.98","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Pinho, Vagner D.; Procter, David J.; Burtoloso, Antonio C. B.","SmI2-Mediated Couplings of α-Amino Acid Derivatives. Formal Synthesis of (−)-Pumiliotoxin 251D and (±)-Epiquinamide","Organic Letters","2013","15","10","2434","","10.1021/ol400903n","","","1.54178","CuKα","","0.0407","0.037","","","0.0934","0.0965","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512059","9.241","0.0017","7.3317","0.0013","14.239","0.003","90","","106.149","0.003","90","","926.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 F3 N O6 -","- C17 H26 F3 N O6 -","- C34 H52 F6 N2 O12 -","2","1","","Cheng, Jin-Tang; Liu, Fei; Li, Xiao-Nian; Wu, Xing-De; Dong, Liao-Bin; Peng, Li-Yan; Huang, Sheng-Xiong; He, Juan; Zhao, Qin-Shi","Lycospidine A, a New Type ofLycopodiumAlkaloid fromLycopodium complanatum","Organic Letters","2013","15","10","2438","","10.1021/ol400907v","","","0.71073","MoKα","","0.0415","0.037","","","0.097","0.1002","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512060","11.4541","0.0006","7.2648","0.0003","16.2468","0.0007","90","","98.293","0.002","90","","1337.79","0.11","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O Si -","- C15 H16 O Si -","- C60 H64 O4 Si4 -","4","1","","Martinez-Solorio, Dionicio; Hoye, Adam T.; Nguyen, Minh H.; Smith, Amos B.","The Design, Synthesis and Validation of Recoverable and Readily Reusable Siloxane Transfer Agents for Pd-Catalyzed Cross-Coupling Reactions","Organic Letters","2013","15","10","2454","","10.1021/ol400922j","","","0.71073","MoKα","","0.0345","0.0314","","","0.0838","0.0864","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512061","12.404","0.007","15.975","0.008","19.814","0.007","90","","107.76","0.04","90","","3739","3","294","2","294","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C38 H44 N2 O11 S -","- C38 H44 N2 O11 S -","- C152 H176 N8 O44 S4 -","4","2","","Amat, Mercedes; Arioli, Federica; Pérez, Maria; Molins, Elies; Bosch, Joan","Preparation and Double Michael Addition Reactions of a Synthetic Equivalent of the Nazarov Reagent","Organic Letters","2013","15","10","2470","","10.1021/ol400934c","","x-ray","0.71073","MoKα","","0.1151","0.0905","","","0.2586","0.2782","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512062","9.54807","0.00018","13.6451","0.0003","17.5212","0.0003","90","","93.5885","0.0018","90","","2278.26","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 N2 O4 S -","- C23 H28 N2 O4 S -","- C92 H112 N8 O16 S4 -","4","1","","Yan, Xu; Liao, Jinxi; Lu, Yongzhi; Liu, Jinsong; Zeng, Youlin; Cai, Qian","Pd-Catalyzed One-Pot Synthesis of Polysubstituted Acrylamidines from Isocyanides, Diazo Compounds, and Imines","Organic Letters","2013","15","10","2478","","10.1021/ol4009552","","","1.54184","CuKα","","0.0566","0.0441","","","0.1073","0.1147","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512063","5.858","0.007","28.33","0.03","9.954","0.011","90","","90.62","0.017","90","","1652","3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Zhang, Li; Li, Zhiming; Fan, Renhua","Metal-Controlled Cycloaddition of 2-Alkynyl-1,4-benzoquinones and Styrenyl Systems: Lewis Acid versus π Acid","Organic Letters","2013","15","10","2482","","10.1021/ol400956h","","","0.71073","MoKα","","0.0978","0.0691","","","0.1637","0.1791","","","","","","0.948","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512064","10.302","0.005","10.818","0.005","15.186","0.008","90","","99.154","0.006","90","","1670.9","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O3 -","- C21 H20 O3 -","- C84 H80 O12 -","4","1","","Zhang, Li; Li, Zhiming; Fan, Renhua","Metal-Controlled Cycloaddition of 2-Alkynyl-1,4-benzoquinones and Styrenyl Systems: Lewis Acid versus π Acid","Organic Letters","2013","15","10","2482","","10.1021/ol400956h","","","0.71073","MoKα","","0.0911","0.073","","","0.1899","0.209","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512065","7.349","0.005","9.997","0.007","10.881","0.007","108.638","0.009","94.822","0.003","106.72","0.008","711.7","0.8","200","","200","","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 Ru -","- C19 H20 Ru -","- C38 H40 Ru2 -","2","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0549","","","","0.1357","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512066","10.3078","0.0006","10.4979","0.0004","14.5178","0.0012","90","","109.452","0.003","90","","1481.3","0.16","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Ru -","- C20 H22 Ru -","- C80 H88 Ru4 -","4","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0467","","","","0.1448","","","","","","0.909","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512067","7.5875","0.0015","15.884","0.003","13.803","0.003","90","","97.204","0.003","90","","1650.4","0.6","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Ru -","- C21 H24 Ru -","- C84 H96 Ru4 -","4","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0331","","","","0.098","","","","","","0.778","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512068","7.804","0.003","10.072","0.004","12.89","0.005","83.87","0.018","75.728","0.014","70.527","0.011","925.4","0.6","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 O4 Ru -","- C19 H26 O4 Ru -","- C38 H52 O8 Ru2 -","2","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0403","","","","0.115","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512069","7.8725","0.0017","10.123","0.003","12.283","0.003","85.138","0.009","77.763","0.008","71.325","0.006","906.1","0.4","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H26 O4 Ru -","- C19 H26 O4 Ru -","- C38 H52 O8 Ru2 -","2","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)–Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0297","","","","0.0902","","","","","","0.821","","","","has coordinates","275142","2022-05-06","20:19:24",""
"1512070","7.8164","0.0017","14.895","0.004","16.387","0.004","90","","92.68","0.003","90","","1905.8","0.8","200","","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O4 Ru -","- C20 H28 O4 Ru -","- C80 H112 O16 Ru4 -","4","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0375","","","","0.1118","","","","","","0.851","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512071","16.6226","0.0013","8.1062","0.0004","21.4226","0.0012","90","","92.615","0.004","90","","2883.6","0.3","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 O4 Ru -","- C20 H28 O4 Ru -","- C120 H168 O24 Ru6 -","6","3","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0375","","","","0.1016","","","","","","0.874","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512072","30.662","0.008","10.244","0.003","15.125","0.004","90","","119.651","0.003","90","","4129","2","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 O4 Ru -","- C21 H30 O4 Ru -","- C168 H240 O32 Ru8 -","8","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0587","","","","0.1857","","","","","","0.911","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512073","7.8627","0.0013","9.8754","0.0016","11.834","0.002","84.958","0.007","78.458","0.005","72.093","0.005","856.3","0.2","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 O5 Ru -","- C18 H24 O5 Ru -","- C36 H48 O10 Ru2 -","2","1","","Hiroi, Yuki; Komine, Nobuyuki; Komiya, Sanshiro; Hirano, Masafumi","Asymmetric Cross-Dimerization between Methyl Methacrylate and Substituted Alkene by Ru(0)‒Bicyclononadiene Complex","Organic Letters","2013","15","10","2486","","10.1021/ol400963d","","","0.71075","MoKα","","","0.0365","","","","0.1203","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512074","10.0452","0.0016","10.5711","0.0017","20.709","0.003","90","","90","","90","","2199.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 I N2 O2 P -","- C22 H22 I N2 O2 P -","- C88 H88 I4 N8 O8 P4 -","4","1","","Casimiro, María; Roces, Laura; García-Granda, Santiago; Iglesias, María José; López Ortiz, Fernando","DirectedOrtho-Lithiation of Aminophosphazenes: An Efficient Route to the Stereoselective Synthesis ofP-Chiral Compounds","Organic Letters","2013","15","10","2378","","10.1021/ol400971q","","","0.71073","MoKα","","0.0449","0.0342","","","0.0496","0.0514","","","","","","0.762","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512075","6.2139","0.0007","15.0497","0.0017","26.986","0.003","90","","90","","90","","2523.7","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","12226a","","","- C27 H30 N2 O3 S2 -","- C27 H30 N2 O3 S2 -","- C108 H120 N8 O12 S8 -","4","1","","Wang, Xiao-Na; Hsung, Richard P.; Qi, Rui; Fox, Sierra K.; Lv, Ming-Can","A Highly Stereoselective Addition of Lithiated Ynamides to Ellman‒Davis ChiralN-tert-Butanesulfinyl Imines","Organic Letters","2013","15","10","2514","","10.1021/ol400989x","","","0.71073","MoKα","","0.0617","0.044","","","0.0892","0.0972","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512076","5.9941","0.0007","15.9821","0.0019","16.971","0.002","90","","90","","90","","1625.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","13013a","","","- C16 H20 N2 O3 S -","- C16 H20 N2 O3 S -","- C64 H80 N8 O12 S4 -","4","1","","Wang, Xiao-Na; Hsung, Richard P.; Qi, Rui; Fox, Sierra K.; Lv, Ming-Can","A Highly Stereoselective Addition of Lithiated Ynamides to Ellman‒Davis ChiralN-tert-Butanesulfinyl Imines","Organic Letters","2013","15","10","2514","","10.1021/ol400989x","","","0.71073","MoKα","","0.0541","0.0407","","","0.0861","0.0922","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512077","6.1458","0.0008","16.246","0.002","20.503","0.003","90","","90","","90","","2047.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","13045b","","","- C22 H24 N2 O3 S -","- C22 H24 N2 O3 S -","- C88 H96 N8 O12 S4 -","4","1","","Wang, Xiao-Na; Hsung, Richard P.; Qi, Rui; Fox, Sierra K.; Lv, Ming-Can","A Highly Stereoselective Addition of Lithiated Ynamides to Ellman‒Davis ChiralN-tert-Butanesulfinyl Imines","Organic Letters","2013","15","10","2514","","10.1021/ol400989x","","","1.54178","CuKα","","0.0516","0.0372","","","0.0769","0.0865","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512078","29.5357","0.0003","15.7962","0.0002","20.0056","0.0002","90","","96.313","0.001","90","","9277.05","0.18","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H43.5 O1.75 -","- C25 H42 O -","- C400 H672 O16 -","16","4","","Xiao, Ze’en; Huang, Huarong; Shao, Changlun; Xia, Xuekui; Ma, Lin; Huang, Xishan; Lu, Yongjun; Lin, Yongcheng; Long, Yuhua; She, Zhigang","Asperterpenols A and B, New Sesterterpenoids Isolated from a Mangrove Endophytic FungusAspergillussp. 085242","Organic Letters","2013","15","10","2522","","10.1021/ol401005j","","","1.54178","CuKα","","0.0524","0.0489","","","0.1309","0.134","","","","","","1.033","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512079","12.6439","0.0003","6.8702","0.0002","13.2201","0.0004","90","","97.454","0.002","90","","1138.67","0.06","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H42 O2 -","- C25 H42 O2 -","- C50 H84 O4 -","2","1","","Xiao, Ze’en; Huang, Huarong; Shao, Changlun; Xia, Xuekui; Ma, Lin; Huang, Xishan; Lu, Yongjun; Lin, Yongcheng; Long, Yuhua; She, Zhigang","Asperterpenols A and B, New Sesterterpenoids Isolated from a Mangrove Endophytic FungusAspergillussp. 085242","Organic Letters","2013","15","10","2522","","10.1021/ol401005j","","","1.54178","CuKα","","0.063","0.0595","","","0.1499","0.154","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512080","11.3639","0.0013","13.2788","0.0015","18.587","0.002","75.262","0.006","79.729","0.007","70.965","0.005","2550.2","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H58 Cl4 N4 O2 Pd -","- C55 H58 Cl4 N4 O2 Pd -","- C110 H116 Cl8 N8 O4 Pd2 -","2","1","","Kuriyama, Masami; Matsuo, Seira; Shinozawa, Mina; Onomura, Osamu","Ether-imidazolium carbenes for suzuki-miyaura cross-coupling of heteroaryl chlorides with aryl/heteroarylboron reagents.","Organic letters","2013","15","11","2716","2719","10.1021/ol4010189","","","0.71075","MoKα","","","0.0564","","","","0.1352","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512081","9.525","0.007","9.705","0.006","13.059","0.008","69.341","0.014","87.28","0.03","87.5","0.03","1127.8","1.3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 Cl2 N4 O2 Pd -","- C48 H60 Cl2 N4 O2 Pd -","- C48 H60 Cl2 N4 O2 Pd -","1","0.5","","Kuriyama, Masami; Matsuo, Seira; Shinozawa, Mina; Onomura, Osamu","Ether-imidazolium carbenes for suzuki-miyaura cross-coupling of heteroaryl chlorides with aryl/heteroarylboron reagents.","Organic letters","2013","15","11","2716","2719","10.1021/ol4010189","","","0.71075","MoKα","","","0.0802","","","","0.1901","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512082","9.363","0.002","14.332","0.003","19.941","0.004","90","","98.871","0.004","90","","2643.9","1","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Cl N2 O Pd -","- C30 H33 Cl N2 O Pd -","- C120 H132 Cl4 N8 O4 Pd4 -","4","1","","Kuriyama, Masami; Matsuo, Seira; Shinozawa, Mina; Onomura, Osamu","Ether-imidazolium carbenes for suzuki-miyaura cross-coupling of heteroaryl chlorides with aryl/heteroarylboron reagents.","Organic letters","2013","15","11","2716","2719","10.1021/ol4010189","","","0.71075","MoKα","","","0.0541","","","","0.1219","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512083","11.9986","0.0013","23.347","0.003","19.104","0.002","90","","92.8783","0.0016","90","","5344.9","1.1","93","","93","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C48 H60 F12 N4 O4 Pd Sb2 -","- C48 H60 F12 N4 O4 Pd Sb2 -","- C192 H240 F48 N16 O16 Pd4 Sb8 -","4","1","","Kuriyama, Masami; Matsuo, Seira; Shinozawa, Mina; Onomura, Osamu","Ether-imidazolium carbenes for suzuki-miyaura cross-coupling of heteroaryl chlorides with aryl/heteroarylboron reagents.","Organic letters","2013","15","11","2716","2719","10.1021/ol4010189","","","0.71075","MoKα","","","0.0234","","","","0.0571","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512084","13.2199","0.0005","11.4301","0.0004","21.0851","0.0008","90","","90.191","0.004","90","","3186","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H34 N2 O2 S -","- C39 H34 N2 O2 S -","- C156 H136 N8 O8 S4 -","4","1","","Xing, Yanpeng; Zhao, Hongyang; Shang, Qiongyi; Wang, Jing; Lu, Ping; Wang, Yanguang","Parallel Copper Catalysis: Diastereoselective Synthesis of Polyfunctionalized Azetidin-2-imines.","Organic letters","2013","15","11","2668","2671","10.1021/ol4010323","","","0.71073","MoKα","","0.0715","0.0442","","","0.0981","0.1135","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512085","11.6466","0.0009","11.9984","0.0009","12.9367","0.0012","67.388","0.008","64.731","0.008","85.073","0.006","1502.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 N2 O2 S -","- C37 H30 N2 O2 S -","- C74 H60 N4 O4 S2 -","2","1","","Xing, Yanpeng; Zhao, Hongyang; Shang, Qiongyi; Wang, Jing; Lu, Ping; Wang, Yanguang","Parallel Copper Catalysis: Diastereoselective Synthesis of Polyfunctionalized Azetidin-2-imines.","Organic letters","2013","15","11","2668","2671","10.1021/ol4010323","","","0.71073","MoKα","","0.101","0.0746","","","0.1879","0.2105","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512086","10.8394","0.0011","11.4488","0.0012","11.4719","0.0009","74.667","0.001","81.908","0.002","63.495","0.001","1228.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 Cl N3 O5 -","- C25 H22 Cl N3 O5 -","- C50 H44 Cl2 N6 O10 -","2","1","","Feng, Xian; Wang, Qian; Lin, Wei; Dou, Guo-Lan; Huang, Zhi-Bin; Shi, Da-Qing","Highly Efficient Synthesis of Polysubstituted Pyrroles via Four-Component Domino Reaction","Organic Letters","2013","15","10","2542","","10.1021/ol4010382","","","0.71073","MoKα","","0.1129","0.0563","","","0.1102","0.1424","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512087","6.0852","0.0002","11.7873","0.0004","35.4794","0.0012","90","","90","","90","","2544.87","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C104 H160 O24 -","8","2","","Alam, Rauful; Raducan, Mihai,; Eriksson, Lars; Szabó, Kálmán J.","Selective Formation of Adjacent Stereocenters by Allylboration of Ketones under Mild Neutral Conditions","Organic Letters","2013","15","10","2546","","10.1021/ol401055m","","","0.71073","MoKα","","0.0547","0.0528","","","0.1277","0.1287","","","","","","1.24","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512088","8.3171","0.0003","11.418","0.0006","17.1359","0.0009","90","","97.692","0.004","90","","1612.66","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Br N O -","- C18 H16 Br N O -","- C72 H64 Br4 N4 O4 -","4","1","","Alam, Rauful; Raducan, Mihai,; Eriksson, Lars; Szabó, Kálmán J.","Selective Formation of Adjacent Stereocenters by Allylboration of Ketones under Mild Neutral Conditions","Organic Letters","2013","15","10","2546","","10.1021/ol401055m","","","0.71073","MoKα","","0.0567","0.046","","","0.1096","0.116","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512089","28.7975","0.0016","7.8077","0.0004","16.5405","0.0009","90","","110.356","0.006","90","","3486.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Br N O2 -","- C19 H16 Br N O2 -","- C152 H128 Br8 N8 O16 -","8","1","","Alam, Rauful; Raducan, Mihai,; Eriksson, Lars; Szabó, Kálmán J.","Selective Formation of Adjacent Stereocenters by Allylboration of Ketones under Mild Neutral Conditions","Organic Letters","2013","15","10","2546","","10.1021/ol401055m","","","0.71073","MoKα","","0.0872","0.073","","","0.1494","0.156","","","","","","1.229","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512090","7.5725","0.0003","15.488","0.0006","11.7937","0.0005","90","","100.558","0.001","90","","1359.78","0.09","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H37 N O5 Si -","- C28 H37 N O5 Si -","- C56 H74 N2 O10 Si2 -","2","1","","Wales, Steven M.; Walker, Morgan M.; Johnson, Jeffrey S.","Asymmetric Synthesis of Indole Homo-Michael Adducts via Dynamic Kinetic Friedel‒Crafts Alkylation with Cyclopropanes","Organic Letters","2013","15","10","2558","","10.1021/ol4010646","","","1.54178","CuKα","","0.0266","0.0262","","","0.0669","0.0673","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512091","9.528","0.006","9.517","0.005","25.51","0.012","90","","94.72","0.03","90","","2305","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2R*,3R*)-1-tert-butyl 3-methyl 2-(hydroxydiphenylmethyl)indoline- 1,3-dicarboxylate","","- C28 H29 N O5 -","- C28 H29 N O5 -","- C112 H116 N4 O20 -","4","1","","Kise, Naoki; Sueyoshi, Akinori; Takeuchi, Shin-Ichirou; Sakurai, Toshihiko","Electroreductive intermolecular coupling of 3-methoxycarbonylindoles with ketones.","Organic letters","2013","15","11","2746","2749","10.1021/ol4010799","","","0.71075","MoKα","","0.0767","0.0465","","","0.1107","0.1206","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512092","10.696","0.003","15.927","0.006","17.75","0.007","90","","91.808","0.014","90","","3022.3","1.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2R*,3R*)-methyl 2-(1-hydroxycyclopentyl)-1-methylindoline-3-carboxylate","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C128 H168 N8 O24 -","8","2","","Kise, Naoki; Sueyoshi, Akinori; Takeuchi, Shin-Ichirou; Sakurai, Toshihiko","Electroreductive intermolecular coupling of 3-methoxycarbonylindoles with ketones.","Organic letters","2013","15","11","2746","2749","10.1021/ol4010799","","","0.71075","MoKα","","0.0976","0.059","","","0.1563","0.174","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512093","17.1633","0.0015","14.5957","0.0013","31.045","0.003","90","","103.967","0.002","90","","7547.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H62 N4 Ni0.5 O5 S -","- C112 H62 N4 Ni0.5 O5 S -","- C448 H248 N16 Ni2 O20 S4 -","4","1","","Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Sasamori, Takahiro; Murata, Yasujiro","Expansion of Orifices of Open C60 Derivatives and Formation of an Open C59S Derivative by Reaction with Sulfur.","Organic letters","2013","15","11","2750","2753","10.1021/ol401083c","","","0.71073","MoKα","","0.0887","0.0567","","","0.1225","0.1332","","","","","","1.015","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512094","17.122","0.002","14.8245","0.0019","31.17","0.004","90","","102.629","0.002","90","","7720.3","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112 H61.04 N4.96 Ni0.5 O4.52 S2 -","- C112 H61.04 N4.96 Ni0.5 O4.52 S2 -","- C448 H244.16 N19.84 Ni2 O18.08 S8 -","4","1","","Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Sasamori, Takahiro; Murata, Yasujiro","Expansion of Orifices of Open C60 Derivatives and Formation of an Open C59S Derivative by Reaction with Sulfur.","Organic letters","2013","15","11","2750","2753","10.1021/ol401083c","","","0.71073","MoKα","","0.0986","0.061","","","0.1404","0.1564","","","","","","1.014","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512095","18.8292","0.0002","15.7485","0.0002","20.6189","0.0002","90","","116.272","0.0007","90","","5482.58","0.11","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H36 N2 O3.75 S2 -","- C88 H36 N2 O3.755 S2 -","- C352 H144 N8 O15.02 S8 -","4","1","","Futagoishi, Tsukasa; Murata, Michihisa; Wakamiya, Atsushi; Sasamori, Takahiro; Murata, Yasujiro","Expansion of Orifices of Open C60 Derivatives and Formation of an Open C59S Derivative by Reaction with Sulfur.","Organic letters","2013","15","11","2750","2753","10.1021/ol401083c","","","0.71075","MoKα","","0.141","0.0934","","","0.1524","0.1771","","","","","","1.211","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512096","7.2229","0.0004","13.4298","0.0007","15.5038","0.0008","95.483","0.004","98.449","0.005","99.913","0.005","1454.06","0.14","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Cl N3 O3 -","- C16 H10 Cl N3 O3 -","- C64 H40 Cl4 N12 O12 -","4","2","","Liang, Lei; Wang, Wei; Xu, Fengrong; Niu, Yan; Sun, Qi; Xu, Ping","Relay Catalysis by a Multifunctional Cu Catalyst in a Tandem Dehydro-/Dehalogenation Sequence along with N-Arylation.","Organic letters","2013","15","11","2770","2773","10.1021/ol401105x","","","0.7107","MoKα","","0.06","0.044","","","0.0964","0.1064","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512097","9.1257","0.001","9.1641","0.001","10.7395","0.0012","101.582","0.002","92.848","0.002","103.302","0.002","851.9","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 N O2 S -","- C19 H19 N O2 S -","- C38 H38 N2 O4 S2 -","2","1","","Zhu, Can; Ma, Shengming","Coupling and Cyclization of o-Iodoanilines and Propargylic Bromides via Allenes: An Efficient Entry to Indomethacin.","Organic letters","2013","15","11","2782","2785","10.1021/ol401115a","","","0.71073","MoKα","","0.0651","0.054","","","0.1531","0.1652","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512098","8.843","0.0009","13.5211","0.0006","18.1943","0.0018","111.348","0.007","99.037","0.009","93.744","0.007","1983.2","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C100 H80 N8 O8 -","4","2","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.0799","0.05","","","0.1028","0.1169","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512099","8.6766","0.0007","13.6112","0.0012","14.5535","0.0012","99.558","0.007","106.757","0.007","91.782","0.007","1617.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","2","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.1218","0.0886","","","0.2247","0.2614","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512100","20.3706","0.0013","12.1324","0.0008","19.1982","0.0013","90","","109.562","0.001","90","","4470.9","0.5","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 N2 O4 -","- C27 H24 N2 O4 -","- C216 H192 N16 O32 -","8","1","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.0825","0.0404","","","0.0997","0.1237","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512101","7.3464","0.0006","10.8853","0.001","12.7617","0.0008","75.437","0.007","80.472","0.006","76.649","0.008","954.76","0.14","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.0949","0.0605","","","0.1506","0.1763","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512102","8.3832","0.0006","10.2607","0.0007","11.7781","0.0006","88.316","0.005","82.179","0.005","66.985","0.007","923.49","0.11","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C44 H40 N4 O6 -","2","1","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.0806","0.0661","","","0.1752","0.1875","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512103","18.1208","0.0008","7.9048","0.0004","27.8786","0.0014","90","","90","","90","","3993.4","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C200 H160 N16 O24 -","8","1","","Lin, Chi-Hui; Yang, Ding-Yah","Synthesis of coumarin/pyrrole-fused heterocycles and their photochemical and redox-switching properties.","Organic letters","2013","15","11","2802","2805","10.1021/ol401138q","","x-ray","0.71073","MoKα","","0.0683","0.0463","","","0.1097","0.1238","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512104","12.5589","0.0009","8.3367","0.0006","21.2041","0.0016","90","","93.547","0.003","90","","2215.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Poittevin, Clément; Liautard, Virginie; Beniazza, Redouane; Robert, Frédéric; Landais, Yannick","Free-Radical Carbo-alkenylation of Enamides and Ene-carbamates.","Organic letters","2013","15","11","2814","2817","10.1021/ol401147w","","","1.54178","CuKα","","0.0443","0.0411","","","0.1105","0.113","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512105","11.3759","0.0012","11.6984","0.0012","15.9768","0.0016","90","","90","","90","","2126.2","0.4","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","CP254PPP","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C96 H108 N4 O16 S4 -","4","1","","Poittevin, Clément; Liautard, Virginie; Beniazza, Redouane; Robert, Frédéric; Landais, Yannick","Free-Radical Carbo-alkenylation of Enamides and Ene-carbamates.","Organic letters","2013","15","11","2814","2817","10.1021/ol401147w","","","0.71073","MoKα","","0.0396","0.038","","","0.0993","0.1006","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512106","11.7276","0.0007","9.507","0.0006","20.4752","0.0013","90","","100.808","0.001","90","","2242.4","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CP197PPf2'","","","- C21 H31 N O5 S Si -","- C21 H31 N O5 S Si -","- C84 H124 N4 O20 S4 Si4 -","4","1","","Poittevin, Clément; Liautard, Virginie; Beniazza, Redouane; Robert, Frédéric; Landais, Yannick","Free-Radical Carbo-alkenylation of Enamides and Ene-carbamates.","Organic letters","2013","15","11","2814","2817","10.1021/ol401147w","","","0.71073","MoKα","","0.0334","0.0301","","","0.0807","0.0833","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512107","9.8881","0.0008","29.449","0.003","11.4581","0.0011","90","","112.371","0.003","90","","3085.4","0.5","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","2","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0905","0.0531","","","0.1377","0.1654","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512108","27.442","0.003","5.3305","0.0004","23.203","0.002","90","","93.549","0.003","90","","3387.6","0.5","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C176 H144 N16 O16 -","8","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.1229","0.0596","","","0.1443","0.2003","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512109","9.7108","0.0008","32.689","0.004","12.1744","0.0013","90","","113.434","0.003","90","","3545.8","0.7","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C200 H144 N16 O8 -","8","2","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.1257","0.0523","","","0.1195","0.1858","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512110","36.9495","0.0008","10.683","0.0002","5.611","0.0001","90","","90","","90","","2214.84","0.07","103","2","103","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H23 N3 O -","- C30 H23 N3 O -","- C120 H92 N12 O4 -","4","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0641","0.0488","","","0.1272","0.1536","","","","","","1.194","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512111","8.8622","0.0011","9.9009","0.001","19.59","0.002","90","","96.015","0.004","90","","1709.4","0.3","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0855","0.0511","","","0.1145","0.1317","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512112","10.4219","0.0005","8.5137","0.0004","17.6503","0.0009","90","","101.891","0.002","90","","1532.49","0.13","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0606","0.0457","","","0.1249","0.1418","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512113","11.6161","0.0003","8.1844","0.0002","31.4284","0.0008","90","","90","","90","","2987.92","0.13","103","2","103","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0804","0.0502","","","0.1355","0.1678","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512114","10.2601","0.0007","8.3406","0.0006","18.1111","0.0013","90","","97.908","0.002","90","","1535.13","0.19","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Wang, Yi-Feng; Zhang, Feng-Lian; Chiba, Shunsuke","Oxidative radical skeletal rearrangement induced by molecular oxygen: synthesis of quinazolinones.","Organic letters","2013","15","11","2842","2845","10.1021/ol4011745","","","0.71073","MoKα","","0.0654","0.0493","","","0.1221","0.1332","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512115","14.488","0.003","7.515","0.0015","13.547","0.003","90","","105.95","0.03","90","","1418.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Gao, Peng; Liu, Jinjian; Wei, Yunyang","Hypervalent Iodine(III)-Mediated Benzannulation of Enamines with Alkynes for the Synthesis of Polysubstituted Naphthalene Derivatives.","Organic letters","2013","15","11","2872","2875","10.1021/ol401206g","","","0.71073","MoKα","","0.1335","0.0694","","","0.1569","0.1847","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512116","5.963","0.0005","13.8664","0.0012","20.4254","0.0017","90","","93.758","0.001","90","","1685.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 Cl N O2 -","- C19 H26 Cl N O2 -","- C76 H104 Cl4 N4 O8 -","4","1","","Bonderoff, Sara A.; Grant, Tina N.; West, F. G.; Tremblay, Martin","Nazarov reactions of vinyl cyclopropylamines: an approach to the imino-nazarov problem.","Organic letters","2013","15","11","2888","2891","10.1021/ol4012663","","","0.71073","MoKα","","0.0484","0.0386","","","0.0952","0.1014","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512126","13.1973","0.0018","10.9585","0.0015","24.226","0.003","90","","100.216","0.002","90","","3448.1","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H96 Cl2 O31 -","- C64 H92 Cl2 O31 -","- C128 H184 Cl4 O62 -","2","1","","Li, Yan-Ping; Li, Xiao-Nian; Gao, Ling-Huan; Li, Hai-Zhou; Wu, Guo-Xing; Li, Rong-Tao","Neopierisoids A and B, Two New Chlorinated 3,4-seco-Grayanane Diterpenoids with Antifeedant Activity from Flowers of Pieris japonica","Journal of Agricultural and Food Chemistry","2013","61","30","7219","","10.1021/jf401921x","","","0.71073","MoKα","","0.0865","0.0627","","","0.1628","0.1804","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512127","9.942","0.002","11.73","0.002","13.316","0.003","85.63","0.03","81.75","0.03","65.43","0.03","1397.4","0.6","293","2","293","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H29 Cl2 Fe N2 O P Pd -","- C29 H29 Cl2 Fe N2 O P Pd -","- C58 H58 Cl4 Fe2 N4 O2 P2 Pd2 -","2","1","","Lease, Nicholas; Vasilevski, Vadim; Carreira, Monica; de Almeida, Andreia; Sanaú, Mercedes; Hirva, Pipsa; Casini, Angela; Contel, María","Potential Anticancer Heterometallic Fe‒Au and Fe‒Pd Agents: Initial Mechanistic Insights","Journal of Medicinal Chemistry","2013","56","14","5806","","10.1021/jm4007615","","","0.71073","MoKα","","0.0666","0.0443","","","0.1154","0.1368","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512128","13.102","0.003","14.328","0.003","15.347","0.003","90","","111.72","0.03","90","","2676.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Cl5 N2 P Pd -","- C25 H22 Cl5 N2 P Pd -","- C100 H88 Cl20 N8 P4 Pd4 -","4","1","","Lease, Nicholas; Vasilevski, Vadim; Carreira, Monica; de Almeida, Andreia; Sanaú, Mercedes; Hirva, Pipsa; Casini, Angela; Contel, María","Potential Anticancer Heterometallic Fe‒Au and Fe‒Pd Agents: Initial Mechanistic Insights","Journal of Medicinal Chemistry","2013","56","14","5806","","10.1021/jm4007615","","","0.71073","MoKα","","0.0593","0.0375","","","0.0874","0.098","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512129","12.6284","0.0011","25.1469","0.0015","17.7155","0.0011","90","","91.527","0.008","90","","5623.8","0.7","93","2","93","2","","","","","","","crystallized from dma solution","7","P 1 21 1","P 2yb","4","octakis(dma)lanthanum(III) triflate","octakis(dma)lanthanum(III) trifluoromethanesulfonate","","- C35 H72 F9 La N8 O17 S3 -","- C35 H72 F9 La N8 O17 S3 -","- C140 H288 F36 La4 N32 O68 S12 -","4","2","","Fuchs, Anna; Lundberg, Daniel; Warmińska, Dorota; Persson, Ingmar","On the Structure and Volumetric Properties of Solvated Lanthanoid(III) Ions in Amide Solutions.","The journal of physical chemistry. B","2013","117","28","8502","8511","10.1021/jp310111j","","x-ray","0.71073","MoKα","","0.1068","0.0952","","","0.2309","0.2454","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512130","7.707","0.003","13.875","0.005","23.418","0.008","90","","90","","90","","2504.2","1.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Coumarin 343","11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylic acid","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","1","","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott","Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B","The Journal of Physical Chemistry C","2013","117","27","14130","","10.1021/jp400614e","","","0.71073","MoKα","","0.0826","0.0694","","","0.172","0.1873","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512131","25.115","0.008","11.99","0.003","15.721","0.005","90","","126.342","0.004","90","","3813","2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Coumarin 314T, Coumarin 504T","ethyl 1,1,7,7-tetramethyl-11-oxo-2,3,5,6,7,11-hexahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinoline-10-carboxylate","","- C22 H27 N O4 -","- C22 H27 N O4 -","- C176 H216 N8 O32 -","8","1","","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott","Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B","The Journal of Physical Chemistry C","2013","117","27","14130","","10.1021/jp400614e","","","0.71073","MoKα","","0.0557","0.0517","","","0.13","0.1333","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512132","13.786","0.006","5.596","0.002","15.675","0.005","90","","122.93","0.03","90","","1015","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Coumarin 445","7-(ethylamino)-4-methyl-2H-chromen-2-one","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott","Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B","The Journal of Physical Chemistry C","2013","117","27","14130","","10.1021/jp400614e","","","0.71073","MoKα","","0.0646","0.0571","","","0.1636","0.1722","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512133","12.365","0.006","7.358","0.003","16.939","0.008","90","","95.378","0.006","90","","1534.4","1.2","120","2","120","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Coumarin 522B","6,8,8,9-tetramethyl-4-(trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one","","- C17 H18 F3 N O2 -","- C17 H18 F3 N O2 -","- C68 H72 F12 N4 O8 -","4","1","","Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; McKechnie, Scott","Molecular Origins of Optoelectronic Properties in Coumarins 343, 314T, 445, and 522B","The Journal of Physical Chemistry C","2013","117","27","14130","","10.1021/jp400614e","","","0.71073","MoKα","","0.0558","0.054","","","0.1513","0.1535","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512134","11.9619","0.0004","11.9619","0.0004","11.9619","0.0004","90","","90","","90","","1711.59","0.1","100.01","0.01","100.01","0.01","","","","","","","","4","P m -3 n","-P 4n 2 3","223","chlorine bromine hydrate","","","- Br6.06 Cl8.31 H92 O46 -","- Br6.0576 Cl8.3136 H92 O46.0124 -","- Br6.0576 Cl8.3136 H92 O46.0124 -","1","0.0208333","","Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A.","Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding","The Journal of Physical Chemistry C","2013","117","27","14176","","10.1021/jp402399r","","","0.7107","MoKα","","0.0418","0.0256","","","0.0684","0.0808","","","","","","1.127","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512135","3.8226","0.001","8.471","0.002","31.554","0.008","90","","90","","90","","1021.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cisdithiophenecyclopentadinitrile","7-dicyanomethylene-7H-cyclopenta-[1,2-b:4,3-b']dithiophene","","- C12 H4 N2 S2 -","- C12 H4 N2 S2 -","- C48 H16 N8 S8 -","4","1","","Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran","Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes","The Journal of Physical Chemistry C","2013","117","33","16759","","10.1021/jp4033029","","","0.71073","MoKα","","0.0368","0.0354","","","0.0896","0.0905","","","","","","0.922","","","","has coordinates","264555","2021-04-26","21:21:43",""
"1512136","3.8268","0.0003","14.7465","0.0012","17.3489","0.0014","90","","90","","90","","979.03","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Transdithiophenecyclopentadinitrile","4-dicyanomethylene-4H-cyclopenta[2,1-b:3,4-b']dithiophene","","- C12 H4 N2 S2 -","- C12 H4 N2 S2 -","- C48 H16 N8 S8 -","4","1","","Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran","Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes","The Journal of Physical Chemistry C","2013","117","33","16759","","10.1021/jp4033029","","","0.71073","MoKα","","0.0232","0.022","","","0.0584","0.0593","","","","","","1.034","","","","has coordinates","264555","2021-04-26","21:21:44",""
"1512137","6.9752","0.0012","21.458","0.003","24.8","0.004","90","","90","","90","","3711.9","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,10-bis(trimethylsilyl)-5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-on","","- C15 H20 O S2 Si2 -","- C15 H20 O S2 Si2 -","- C120 H160 O8 S16 Si16 -","8","1","","Wang, Zhihua; Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wei, Qiang; Wang, Hua; Sun, Haoran","Molecular Origin of Isomerization Effects on Solid State Structures and Optoelectronic Properties: A Comparative Case Study of Isomerically Pure Dicyanomethylene Substituted Fused Dithiophenes","The Journal of Physical Chemistry C","2013","117","33","16759","","10.1021/jp4033029","","","0.71073","MoKα","","0.1201","0.0551","","","0.0955","0.1175","","","","","","1.029","","","","has coordinates","264558","2021-04-26","21:52:53",""
"1512138","20.5937","0.0017","18.9018","0.0017","22.083","0.002","90","","103.108","0.006","90","","8372","1.3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C30 H18 Br4 F12 N6 P2 Ru -","- C30 H18 Br4 F12 N6 P2 Ru -","- C240 H144 Br32 F96 N48 P16 Ru8 -","8","2","","Vallett, Paul J.; Damrauer, Niels H.","Experimental and computational exploration of ground and excited state properties of highly strained ruthenium terpyridine complexes.","The journal of physical chemistry. A","2013","117","30","6489","6507","10.1021/jp404248z","","","0.71073","MoKα","","0.0909","0.0632","","","0.1634","0.1759","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512139","17.687","0.004","19.45","0.005","20.114","0.005","99.442","0.004","100.995","0.004","115.031","0.004","5917","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H96 Cl16 Cu4 N24 O52 -","- C84 H96 Cl16 Cu4 N24 O52 -","- C168 H192 Cl32 Cu8 N48 O104 -","2","1","","Mitra, Monojit; Manna, Prankrishna; Das, Amrita; Seth, Saikat Kumar; Helliwell, Madeleine; Bauzá, Antonio; Choudhury, Somnath Ray; Frontera, Antonio; Mukhopadhyay, Subrata","On the Importance of Unprecedented Lone Pair‒Salt Bridge Interactions in Cu(II)‒Malonate‒2-Amino-5-Chloropyridine‒Perchlorate Ternary System","The Journal of Physical Chemistry A","2013","117","28","5802","","10.1021/jp4046066","","","0.71073","MoKα","","0.0984","0.0574","","","0.1189","0.1366","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1512140","5.6982","0.0004","13.6181","0.0016","14.318","0.0013","79.003","0.009","88.852","0.007","84.498","0.008","1085.63","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Cl4 N8 O10 -","- C40 H34 Cl4 N8 O10 -","- C40 H34 Cl4 N8 O10 -","1","0.5","","Wang, Liang; Chen, Yanli; Bian, Yongzhong; Jiang, Jianzhuang","Porphyrin Nanocrystal Synthesized via Chemical Reaction Route: pH-Sensitive Reversible Transformation between Nanocrystals and Bulk Single Crystal","The Journal of Physical Chemistry C","2013","117","33","17352","","10.1021/jp4056544","","","1.54184","CuKα","","0.1118","0.0887","","","0.2626","0.288","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512141","6.8031","0.0007","8.5452","0.001","28.068","0.003","94.379","0.003","96.284","0.002","92.234","0.003","1615.3","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H60 O2 Se -","- C33 H60 O2 Se -","- C66 H120 O4 Se2 -","2","1","","Bedi, Anjan; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.","Synthesis of Solution-Processable Poly(cyclopenta[c]selenylvinylene) and Its Charge Transport Properties: Comparative Study with the Thiophene Analogue","Macromolecules","2013","46","15","5943","","10.1021/ma4008219","","","0.71073","MoKα","","0.1548","0.1131","","","0.3242","0.4162","","","","","","1.925","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512142","6.617","0.0003","19.6403","0.001","20.1853","0.0009","90","","90","","90","","2623.3","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O5 -","- C30 H35 N O5 -","- C120 H140 N4 O20 -","4","1","","Childs, Scott L.; Kandi, Praveen; Lingireddy, Sreenivas Reddy","Formulation of a danazol cocrystal with controlled supersaturation plays an essential role in improving bioavailability.","Molecular pharmaceutics","2013","10","8","3112","3127","10.1021/mp400176y","","","1.54178","CuKα","","0.0409","0.0384","","","0.0996","0.1016","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512143","19.4525","0.0004","6.8143","0.0002","14.9925","0.0004","90","","90.914","0.001","90","","1987.08","0.09","140","2","140","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H31 N3 O5 -","- C17 H31 N3 O5 -","- C68 H124 N12 O20 -","4","1","","Cong, Hai-Jian; Zhang, Shu-Wei; Shen, Yu; Zheng, Yong; Huang, Yu-Jie; Wang, Wen-Qiong; Leng, Ying; Xuan, Li-Jiang","Guanidine Alkaloids from Plumbago zeylanica.","Journal of natural products","2013","76","7","1351","1357","10.1021/np400235s","","","1.54178","CuKα","","0.048","0.0446","","","0.1221","0.1261","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512144","6.0818","0.0002","19.4319","0.0007","12.9792","0.0004","90","","90.883","0.002","90","","1533.71","0.09","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H26 O5 -","- C13 H26 O5 -","- C52 H104 O20 -","4","2","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.0328","0.0324","","","0.0907","0.0914","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512145","13.0378","0.0015","17.163","0.003","6.2782","0.0009","90","","90","","90","","1404.9","0.4","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C13 H25 O4.5 -","- C13 H25 O4.5 -","- C52 H100 O18 -","4","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.0637","0.0495","","","0.1256","0.1341","","","","","","1.031","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512146","8.0315","0.0002","10.532","0.0002","15.8116","0.0003","90","","90","","90","","1337.47","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O4 -","- C13 H22 O4 -","- C52 H88 O16 -","4","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.04","0.0386","","","0.1","0.1022","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512147","23.0436","0.0009","23.0436","0.0009","12.0745","0.0007","90","","90","","90","","6411.7","0.5","173","0.1","173","0.1","","","","","","","","3","P 42/m n m","-P 4n 2n","136","Bromine hydrate","","","- Br38.27 H344 O172 -","- Br38.2808 H344 O172 -","- Br38.2808 H344 O172 -","1","0.0625","","Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A.","Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding","The Journal of Physical Chemistry C","2013","117","27","14176","","10.1021/jp402399r","","","0.71073","MoKα","","0.0631","0.0384","","","0.074","0.0831","","","","","","1.167","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512148","8.6241","0.0002","9.7034","0.0002","15.9697","0.0003","90","","90","","90","","1336.39","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 O3 -","- C13 H24 O3 -","- C52 H96 O12 -","4","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.0301","0.0299","","","0.0858","0.0861","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512149","11.971","0.0001","11.971","0.0001","11.971","0.0001","90","","90","","90","","1715.5","0.02","173","2","173","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","chlorine hydrate","","","- Cl13.3 H92 O46 -","- Cl12.48 H92 O46 -","- Cl12.48 H92 O46 -","1","0.0208333","","Udachin, Konstantin A.; Alavi, Saman; Ripmeester, John A.","Water‒Halogen Interactions in Chlorine and Bromine Clathrate Hydrates: An Example of Multidirectional Halogen Bonding","The Journal of Physical Chemistry C","2013","117","27","14176","","10.1021/jp402399r","","","0.71073","MoKα","","0.0209","0.0152","","","0.0342","0.0366","","","","","","1.016","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512150","6.7617","0.0003","7.8646","0.0003","12.6936","0.0005","90","","102.866","0.002","90","","658.07","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H26 O3 -","- C13 H26 O3 -","- C26 H52 O6 -","2","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.04","0.0398","","","0.1108","0.111","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512151","12.2496","0.0009","12.2496","0.0009","10.3796","0.0015","90","","90","","120","","1348.8","0.2","123","2","123","2","","","","","","","","6","P 31","P 31","144","","","","- C18 H15 F4 N O4 S -","- C18 H15 F4 N O4 S -","- C54 H45 F12 N3 O12 S3 -","3","1","","Foschi, Francesca; Tagliabue, Aaron; Mihali, Voichita; Pilati, Tullio; Pecnikaj, Ilir; Penso, Michele","Memory of Chirality Approach to the Enantiodivergent Synthesis of Chiral Benzo[d]sultams","Organic Letters","2013","15","14","3686","","10.1021/ol401557v","","","0.71073","MoKα","","0.0358","0.0314","","","0.0764","0.0793","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512152","8.3971","0.0013","8.7391","0.0015","12.748","0.002","90","","94.95","0.02","90","","932","0.3","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H17 F4 N O4 S -","- C19 H17 F4 N O4 S -","- C38 H34 F8 N2 O8 S2 -","2","1","","Foschi, Francesca; Tagliabue, Aaron; Mihali, Voichita; Pilati, Tullio; Pecnikaj, Ilir; Penso, Michele","Memory of Chirality Approach to the Enantiodivergent Synthesis of Chiral Benzo[d]sultams","Organic Letters","2013","15","14","3686","","10.1021/ol401557v","","","0.71073","MoKα","","0.0318","0.0286","","","0.0704","0.0725","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512153","11.2174","0.0002","5.9846","0.0001","16.7692","0.0004","90","","98.354","0.001","90","","1113.8","0.04","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H36 O11 -","- C19 H36 O11 -","- C38 H72 O22 -","2","1","","Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.","Journal of natural products","2013","76","7","1303","1312","10.1021/np4002493","","","1.54178","CuKα","","0.0288","0.0286","","","0.0741","0.0743","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512154","21.7937","0.0008","7.7597","0.0002","45.2891","0.0018","90","","103.665","0.001","90","","7442.2","0.4","200","","200","","","","","","","","from U of Wollongong","4","P 1 2/n 1","-P 2yac","13","","","","- C77 H75 Cl9 O16 -","- C77 H75 Cl9 O16 -","- C308 H300 Cl36 O64 -","4","1","","Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford","Bioactive Compounds from the Roots of Strophioblachia fimbricalyx.","Journal of natural products","2013","76","7","1358","1364","10.1021/np400268d","","","0.71073","MoKα","","0.2459","0.0859","","0.172","0.0975","0.172","","","","","","1.0894","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512155","9.9253","0.0003","6.9102","0.0003","10.7273","0.0004","90","","110.711","0.002","90","","688.19","0.05","200","","200","","","","","","","","local","3","P 1 21/m 1","-P 2yb","11","","","","- C17 H16 O5 -","- C17 H16 O5 -","- C34 H32 O10 -","2","0.5","","Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford","Bioactive Compounds from the Roots of Strophioblachia fimbricalyx.","Journal of natural products","2013","76","7","1358","1364","10.1021/np400268d","","","0.71073","MoKα","","0.063","0.0471","","0.1279","0.1187","0.1279","","","","","","0.9716","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512156","5.3256","0.0008","10.2108","0.0014","12.4179","0.0017","85.023","0.007","82.234","0.008","89.645","0.009","666.54","0.16","200","","200","","","","","","","","from U of Wollongong","3","P -1","-P 1","2","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C30 H32 O10 -","2","1","","Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford","Bioactive Compounds from the Roots of Strophioblachia fimbricalyx.","Journal of natural products","2013","76","7","1358","1364","10.1021/np400268d","","","0.71073","MoKα","","0.1139","0.0802","","0.2208","0.1989","0.2208","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512157","7.9017","0.0002","11.4578","0.0003","20.748","0.0004","95.7973","0.0013","98.8279","0.0013","92.4869","0.0011","1843.38","0.08","200","","200","","","","","","","","from U of Wollongong","4","P -1","-P 1","2","","","","- C41 H41 Cl3 O8 -","- C41 H41 Cl3 O8 -","- C82 H82 Cl6 O16 -","2","1","","Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford","Bioactive Compounds from the Roots of Strophioblachia fimbricalyx.","Journal of natural products","2013","76","7","1358","1364","10.1021/np400268d","","","0.71073","MoKα","","0.0898","0.0515","","0.1331","0.1144","0.1331","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512158","11.542","0.0005","24.4903","0.0012","7.7765","0.0004","90","","90","","90","","2198.16","0.18","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C27 H35 N O2 -","- C27 H35 N O2 -","- C108 H140 N4 O8 -","4","1","","Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming","Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.","Journal of natural products","2013","76","7","1328","1336","10.1021/np400304q","","","1.54178","CuKα","","0.0317","0.0312","","","0.0835","0.0838","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512159","11.6639","0.0011","24.764","0.002","7.7832","0.0005","90","","90","","90","","2248.1","0.3","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C27 H35 N O2 -","- C27 H35 N O2 -","- C108 H140 N4 O8 -","4","1","","Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming","Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.","Journal of natural products","2013","76","7","1328","1336","10.1021/np400304q","","","0.71073","MoKα","","0.0519","0.038","","","0.0794","0.085","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512160","8.1683","0.0002","12.8017","0.0004","26.8302","0.0008","90","","90","","90","","2805.58","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 N O2 S -","- C30 H45 N O2 S -","- C120 H180 N4 O8 S4 -","4","1","","Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming","Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.","Journal of natural products","2013","76","7","1328","1336","10.1021/np400304q","","","1.54178","CuKα","","0.0456","0.0427","","","0.1183","0.122","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512161","8.1634","0.0005","12.7824","0.0008","26.7737","0.0017","90","","90","","90","","2793.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 N O2 S -","- C30 H46 N O2 S -","- C120 H184 N4 O8 S4 -","4","1","","Fan, Yaqin; Wang, Yi; Liu, Peipei; Fu, Peng; Zhu, Tonghan; Wang, Wei; Zhu, Weiming","Indole-Diterpenoids with Anti-H1N1 Activity from the Aciduric Fungus Penicillium camemberti OUCMDZ-1492.","Journal of natural products","2013","76","7","1328","1336","10.1021/np400304q","","","0.71073","MoKα","","0.105","0.0539","","","0.1073","0.1253","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512162","13.1252","0.0004","13.5105","0.0004","17.3945","0.0005","90","","90","","90","","3084.53","0.16","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C136 H160 O48 -","8","2","","Yin, Xia; Feng, Tao; Li, Zheng-Hui; Dong, Ze-Jun; Li, Yan; Liu, Ji Kai","Highly Oxygenated Meroterpenoids from Fruiting Bodies of the Mushroom Tricholoma terreum.","Journal of natural products","2013","76","7","1365","1368","10.1021/np400359y","","","1.54178","CuKα","","0.0353","0.0352","","","0.0966","0.0967","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512163","12.9578","0.0003","13.5937","0.0003","17.1115","0.0004","90","","90","","90","","3014.1","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C136 H160 O40 -","8","2","","Yin, Xia; Feng, Tao; Li, Zheng-Hui; Dong, Ze-Jun; Li, Yan; Liu, Ji Kai","Highly Oxygenated Meroterpenoids from Fruiting Bodies of the Mushroom Tricholoma terreum.","Journal of natural products","2013","76","7","1365","1368","10.1021/np400359y","","","1.54178","CuKα","","0.0915","0.0891","","","0.2688","0.273","","","","","","1.267","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512164","13.5545","0.0006","14.3605","0.0006","16.0482","0.0008","90","","91.1723","0.0016","90","","3123.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 N Si2 -","- C31 H49 N Si2 -","- C124 H196 N4 Si8 -","4","1","","Ohmura, Toshimichi; Kijima, Akihito; Komori, Yusuke; Suginome, Michinori","Cycloaddition-based Formal C‒H Alkynylation of Isoindoles Leading to the Synthesis of Air-stable Fluorescent 1,3-Dialkynylisoindoles","Organic Letters","2013","15","14","3510","","10.1021/ol401051d","","","0.71075","MoKα","","0.1122","0.0523","","","0.1035","0.1508","","","","","","1.106","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512165","18.747","0.003","20.288","0.002","10.5886","0.0017","90","","90","","90","","4027.3","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 Cl3 N O9 -","- C36 H52 Cl3 N O9 -","- C144 H208 Cl12 N4 O36 -","4","1","","Kim, Youngju; In, Yasuko; Ishida, Toshimasa; Onaka, Hiroyasu; Igarashi, Yasuhiro","Biosynthetic Origin of Alchivemycin A, a New Polyketide fromStreptomycesand Absolute Configuration of Alchivemycin B","Organic Letters","2013","15","14","3514","","10.1021/ol401071j","","","1.5418","CuKα","","0.1713","0.1065","","","0.2675","0.2891","","","","","","1.188","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512166","10.8338","0.0011","12.0646","0.0012","16.1691","0.0016","90","","108.033","0.002","90","","2009.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 S3 -","- C12 H6 S3 -","- C96 H48 S24 -","8","2","","Aita, Kazunari; Ohmae, Takeshi; Takase, Masayoshi; Nomura, Kotohiro; Kimura, Hideaki; Nishinaga, Tohru","Dithieno[3,4-b:3′,4′-d]thiophene-Annelated Antiaromatic Planar Cyclooctatetraene with Olefinic Protons","Organic Letters","2013","15","14","3522","","10.1021/ol401125f","","","0.71073","MoKα","","0.032","0.0283","","","0.0659","0.0682","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512167","5.4055","0.0003","9.6991","0.0014","12.7818","0.0007","90","","100.422","0.007","90","","659.07","0.11","291.88","0.1","291.88","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C36 H24 N4 O2 -","2","1","","Li, Zhan-Shan; Wang, Wei-Xia; Yang, Ji-Dong; Wu, Yue-Wei; Zhang, Wei","Photoinduced and N-Bromosuccinimide-Mediated Cyclization of 2-Azido-N-phenylacetamides.","Organic letters","2013","15","15","3820","3823","10.1021/ol401338e","","","0.7107","MoKα","","0.0564","0.0439","","","0.1018","0.1133","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512168","10.5051","0.0002","10.4063","0.0002","14.7156","0.0003","90","","107.786","0.002","90","","1531.81","0.05","293.27","0.1","293.27","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Br3 N2 O -","- C14 H11 Br3 N2 O -","- C56 H44 Br12 N8 O4 -","4","1","","Li, Zhan-Shan; Wang, Wei-Xia; Yang, Ji-Dong; Wu, Yue-Wei; Zhang, Wei","Photoinduced and N-Bromosuccinimide-Mediated Cyclization of 2-Azido-N-phenylacetamides.","Organic letters","2013","15","15","3820","3823","10.1021/ol401338e","","","1.5418","CuKα","","0.0364","0.0344","","","0.0858","0.0877","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512169","8.139","0.0007","10.3526","0.0011","11.1111","0.0008","74.383","0.008","86.92","0.006","81.255","0.008","891.09","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Br3 N2 O -","- C18 H13 Br3 N2 O -","- C36 H26 Br6 N4 O2 -","2","1","","Li, Zhan-Shan; Wang, Wei-Xia; Yang, Ji-Dong; Wu, Yue-Wei; Zhang, Wei","Photoinduced and N-Bromosuccinimide-Mediated Cyclization of 2-Azido-N-phenylacetamides.","Organic letters","2013","15","15","3820","3823","10.1021/ol401338e","","","0.7107","MoKα","","0.0628","0.0392","","","0.0674","0.0775","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512170","7.2524","0.0011","10.756","0.002","14.1658","0.0019","90","","96.02","0.015","90","","1098.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O4 -","- C11 H10 N2 O4 -","- C44 H40 N8 O16 -","4","1","","Li, Zhan-Shan; Wang, Wei-Xia; Yang, Ji-Dong; Wu, Yue-Wei; Zhang, Wei","Photoinduced and N-Bromosuccinimide-Mediated Cyclization of 2-Azido-N-phenylacetamides.","Organic letters","2013","15","15","3820","3823","10.1021/ol401338e","","","0.7107","MoKα","","0.2579","0.183","","","0.4421","0.5458","","","","","","1.495","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512171","11.6095","0.001","8.1912","0.0007","14.3037","0.0012","90","","98.589","0.001","90","","1345","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H21 N O4 -","- C16 H21 N O4 -","- C64 H84 N4 O16 -","4","2","","Dong, Liao-Bin; Gao, Xiu; Liu, Fei; He, Juan; Wu, Xing-De; Li, Yan; Zhao, Qin-Shi","Isopalhinine A, a Unique PentacyclicLycopodiumAlkaloid fromPalhinhaea cernua","Organic Letters","2013","15","14","3570","","10.1021/ol401411m","","","0.71073","MoKα","","0.0299","0.0293","","","0.0783","0.079","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512172","7.8362","0.0006","10.7459","0.0008","18.6308","0.0013","90","","90","","90","","1568.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O4 -","- C17 H27 N O4 -","- C68 H108 N4 O16 -","4","1","","Dong, Liao-Bin; Gao, Xiu; Liu, Fei; He, Juan; Wu, Xing-De; Li, Yan; Zhao, Qin-Shi","Isopalhinine A, a Unique PentacyclicLycopodiumAlkaloid fromPalhinhaea cernua","Organic Letters","2013","15","14","3570","","10.1021/ol401411m","","","0.71073","MoKα","","0.0324","0.0303","","","0.0789","0.0804","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512173","12.0261","0.0003","12.2758","0.0004","20.3157","0.0006","90","","105.703","0.001","90","","2887.27","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 Br N2 O4 -","- C34 H24 Br N2 O4 -","- C136 H96 Br4 N8 O16 -","4","1","","Xing, Dong; Jing, Changcheng; Li, Xinfeng; Qiu, Huang; Hu, Wenhao","Highly Efficient Synthesis of Mixed 3,3′-Bisindoles via Rh(II)-Catalyzed Three-Component Reaction of 3-Diazooxindoles with Indoles and Ethyl Glyoxylate","Organic Letters","2013","15","14","3578","","10.1021/ol401414w","","","0.71073","MoKα","","0.0411","0.0333","","","0.0897","0.0945","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512174","9.2829","0.0009","11.152","0.0011","20.559","0.002","90","","91.176","0.009","90","","2127.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O5 S -","- C24 H21 N O5 S -","- C96 H84 N4 O20 S4 -","4","1","","Murugavel, Govindarasu; Punniyamurthy, Tharmalingam","Novel copper-catalyzed multicomponent cascade synthesis of iminocoumarin aryl methyl ethers.","Organic letters","2013","15","15","3828","3831","10.1021/ol4014359","","","0.71073","MoKα","","0.071","0.0463","","","0.1029","0.1183","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512175","11.548","0.0006","18.7363","0.0009","18.7916","0.0009","90","","106.296","0.0007","90","","3902.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 Cl4 N4 O2 -","- C48 H34 Cl4 N4 O2 -","- C192 H136 Cl16 N16 O8 -","4","1","","Feng, Xing; Iwanaga, Fumitaka; Hu, Jian-Yong; Tomiyasu, Hirotsugu; Nakano, Masahiro; Redshaw, Carl; Elsegood, Mark R. J.; Yamato, Takehiko","An Efficient Approach to the Synthesis of Novel Pyrene-Fused Azaacenes","Organic Letters","2013","15","14","3594","","10.1021/ol401438a","","","0.71073","MoKα","","0.0599","0.0479","","","0.1354","0.1447","","","","","","1.039","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512176","5.848","0.0002","11.0146","0.0003","29.0584","0.001","90","","90","","90","","1871.75","0.1","106.6","0.3","106.6","0.3","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 I N O3 -","- C19 H22 I N O3 -","- C76 H88 I4 N4 O12 -","4","1","","Yang, Wenqiang; Long, Yan; Zhang, Shasha; Zeng, Youlin; Cai, Qian","Copper-catalyzed enantioselective intramolecular N-arylation, an efficient method for kinetic resolutions.","Organic letters","2013","15","14","3598","3601","10.1021/ol401449b","","","1.5418","CuKα","","0.0398","0.0363","","","0.0891","0.0925","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512177","10.295","0.002","13.858","0.003","35.376","0.007","90","","92.18","0.03","90","","5043.4","1.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N8 O2 -","- C25 H24 N8 O2 -","- C200 H192 N64 O16 -","8","2","","Zhang, Hu; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang","Cu(OTf)2-Catalyzed Selective Arene C-H Bond Hydroxylation and Nitration with KNO2 as an Ambident O- and N-Nucleophile via a Cu(II)-Cu(III)-Cu(I) Mechanism.","Organic letters","2013","15","15","3836","3839","10.1021/ol401453f","","","0.71073","MoKα","","0.124","0.0967","","","0.2032","0.2173","","","","","","1.201","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512178","24.129","0.009","11.202","0.004","19.595","0.007","90","","119.366","0.005","90","","4616","3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 N7 O2 -","- C25 H27 N7 O2 -","- C200 H216 N56 O16 -","8","1","","Zhang, Hu; Zhao, Liang; Wang, De-Xian; Wang, Mei-Xiang","Cu(OTf)2-Catalyzed Selective Arene C-H Bond Hydroxylation and Nitration with KNO2 as an Ambident O- and N-Nucleophile via a Cu(II)-Cu(III)-Cu(I) Mechanism.","Organic letters","2013","15","15","3836","3839","10.1021/ol401453f","","","0.71073","MoKα","","0.0877","0.0789","","","0.1595","0.164","","","","","","1.239","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512179","13.5543","0.0013","12.686","0.0012","8.9203","0.0009","90","","96.517","0.002","90","","1523.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O6 -","- C16 H15 N O6 -","- C64 H60 N4 O24 -","4","1","","Wang, Peng; Liao, Saihu; Zhu, Jian-Bo; Tang, Yong","Iron-Catalyzed Three-Component Reaction: Multiple C‒C Bond Cleavages and Reorganizations","Organic Letters","2013","15","14","3606","","10.1021/ol4014552","","","0.71073","MoKα","","0.0542","0.0438","","","0.1172","0.126","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512180","11.4167","0.0012","18.9563","0.0019","7.8459","0.0008","90","","106.362","0.002","90","","1629.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F3 O4 -","- C17 H15 F3 O4 -","- C68 H60 F12 O16 -","4","1","","Wang, Peng; Liao, Saihu; Zhu, Jian-Bo; Tang, Yong","Iron-Catalyzed Three-Component Reaction: Multiple C‒C Bond Cleavages and Reorganizations","Organic Letters","2013","15","14","3606","","10.1021/ol4014552","","","0.71073","MoKα","","0.0682","0.0468","","","0.117","0.1284","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512181","10.1818","0.0009","10.1888","0.0009","16.6826","0.0014","83.565","0.002","88.407","0.002","64.827","0.002","1556","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Br O5 P -","- C34 H32 Br O5 P -","- C68 H64 Br2 O10 P2 -","2","1","","Wang, Peng; Liao, Saihu; Zhu, Jian-Bo; Tang, Yong","Iron-Catalyzed Three-Component Reaction: Multiple C‒C Bond Cleavages and Reorganizations","Organic Letters","2013","15","14","3606","","10.1021/ol4014552","","","0.71073","MoKα","","0.0577","0.043","","","0.1081","0.1153","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512182","8.4778","0.0018","17.232","0.004","15.832","0.003","90","","102.571","0.006","90","","2257.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N O -","- C27 H25 N O -","- C108 H100 N4 O4 -","4","1","","Li, Deng Yuan; Shang, Xue Song; Chen, Guo Rong; Liu, Pei Nian","Solvent-switched benzylic methylene functionalization: addition, ring-opening, cyclization, and unexpected cleavage of C-o and C-C bonds.","Organic letters","2013","15","15","3848","3851","10.1021/ol401470y","","","0.71073","MoKα","","0.1472","0.0974","","","0.2471","0.2861","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512183","9.3974","0.001","16.1269","0.0018","11.7851","0.0013","90","","113.249","0.002","90","","1641","0.3","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","","Li, Deng Yuan; Shang, Xue Song; Chen, Guo Rong; Liu, Pei Nian","Solvent-switched benzylic methylene functionalization: addition, ring-opening, cyclization, and unexpected cleavage of C-o and C-C bonds.","Organic letters","2013","15","15","3848","3851","10.1021/ol401470y","","","0.71073","MoKα","","0.06","0.0445","","","0.1179","0.1288","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512184","10.4508","0.0014","7.793","0.0007","16.9387","0.0019","90","","96.332","0.007","90","","1371.1","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C32 H36 N4 O4 -","- C32 H36 N4 O4 -","- C64 H72 N8 O8 -","2","1","","Caumes, Cécile; Fernandes, Carlos; Roy, Olivier; Hjelmgaard, Thomas; Wenger, Emmanuel; Didierjean, Claude; Taillefumier, Claude; Faure, Sophie","Cyclic α,β-Tetrapeptoids: Sequence-Dependent Cyclization and Conformational Preference","Organic Letters","2013","15","14","3626","","10.1021/ol401478j","","x-ray","0.71073","MoKα","","0.0604","0.0474","","","0.0913","0.0989","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512185","12.8289","0.0011","13.0818","0.0012","22.538","0.002","90","","90","","90","","3782.4","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 B Cl2 F4 O3 P2 Rh -","- C42 H36 B Cl2 F4 O3 P2 Rh -","- C168 H144 B4 Cl8 F16 O12 P8 Rh4 -","4","1","","Fernández-Pérez, Héctor; Benet-Buchholz, J; Vidal-Ferran, Anton","Small Bite-Angle P-OP Ligands for Asymmetric Hydroformylation and Hydrogenation.","Organic letters","2013","15","14","3634","3637","10.1021/ol401494x","","","0.71073","MoKα","","0.0576","0.0424","","","0.1035","0.1129","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512186","10.657","0.0012","16.6458","0.0019","22.554","0.003","90","","90","","90","","4001","0.8","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 B Cl2 F4 O3 P2 Rh -","- C42 H36 B Cl2 F4 O3 P2 Rh -","- C168 H144 B4 Cl8 F16 O12 P8 Rh4 -","4","1","","Fernández-Pérez, Héctor; Benet-Buchholz, J; Vidal-Ferran, Anton","Small Bite-Angle P-OP Ligands for Asymmetric Hydroformylation and Hydrogenation.","Organic letters","2013","15","14","3634","3637","10.1021/ol401494x","","","0.71073","MoKα","","0.0794","0.0739","","","0.207","0.2131","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512187","10.757","0.002","8.4756","0.0017","19.34","0.004","90","","94.11","0.004","90","","1758.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrahydroquinolin-1-ium 4-benzylidene-2-hydroxy-2-methyl-5-oxo-1,3,2-dioxaborolan-2-uide","","- C20 H24 B N O3 -","- C19 H22 B N O4 -","- C76 H88 B4 N4 O16 -","4","1","","Yamashita, Risa; Sakakura, Akira; Ishihara, Kazuaki","Primary Alkylboronic Acids as Highly Active Catalysts for the Dehydrative Amide Condensation of α-Hydroxycarboxylic Acids","Organic Letters","2013","15","14","3654","","10.1021/ol401537f","","","0.71073","MoKα","","0.0704","0.0608","","","0.1872","0.1993","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512188","11.4703","0.0002","11.1191","0.0002","19.4805","0.0003","90","","97.1691","0.0013","90","","2465.11","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H34 O8 -","- C27 H34 O8 -","- C108 H136 O32 -","4","2","","Li, Jun; Li, Min-Yi; Bruhn, Torsten; Katele, Félix Zongwe; Xiao, Qiang; Pedpradab, Patchara; Wu, Jun; Bringmann, Gerhard","Thaixylomolins A‒C: Limonoids Featuring Two New Motifs from the ThaiXylocarpus moluccensis","Organic Letters","2013","15","14","3682","","10.1021/ol401556m","","","1.54184","CuKα","","0.0379","0.0361","","","0.0939","0.096","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512189","9.829","0.0012","19.271","0.002","10.0453","0.0012","90","","106.62","0.012","90","","1823.2","0.4","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H13 F4 N O4 S -","- C18 H13 F4 N O4 S -","- C72 H52 F16 N4 O16 S4 -","4","2","","Foschi, Francesca; Tagliabue, Aaron; Mihali, Voichita; Pilati, Tullio; Pecnikaj, Ilir; Penso, Michele","Memory of Chirality Approach to the Enantiodivergent Synthesis of Chiral Benzo[d]sultams","Organic Letters","2013","15","14","3686","","10.1021/ol401557v","","","0.71073","MoKα","","0.0479","0.0364","","","0.0704","0.0735","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512190","11.7377","0.0002","15.1357","0.0003","16.2481","0.0003","90","","90","","90","","2886.61","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Cl P2 Pd -","- C34 H31 Cl P2 Pd -","- C136 H124 Cl4 P8 Pd4 -","4","1","","Ding, Boqiang; Zhang, Zhenfeng; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","Chemoselective Transfer Hydrogenation of α,β-Unsaturated Ketones Catalyzed by Pincer-Pd Complexes Using Alcohol as a Hydrogen Source","Organic Letters","2013","15","14","3690","","10.1021/ol401560q","","","0.71073","MoKα","","0.0366","0.0286","","","0.0579","0.0689","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512191","15.6441","0.0008","11.9037","0.0004","20.3524","0.0011","90","","111.491","0.006","90","","3526.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Cl3 O2 P2 Pd -","- C37 H35 Cl3 O2 P2 Pd -","- C148 H140 Cl12 O8 P8 Pd4 -","4","1","","Ding, Boqiang; Zhang, Zhenfeng; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","Chemoselective Transfer Hydrogenation of α,β-Unsaturated Ketones Catalyzed by Pincer-Pd Complexes Using Alcohol as a Hydrogen Source","Organic Letters","2013","15","14","3690","","10.1021/ol401560q","","","0.71073","MoKα","","0.0547","0.0387","","","0.0927","0.1046","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512192","11.6014","0.0004","10.6333","0.0004","12.4013","0.0004","90","","100.891","0.002","90","","1502.28","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 O2 -","- C19 H12 N2 O2 -","- C76 H48 N8 O8 -","4","1","","Yu, Songjie; Wan, Boshun; Li, Xingwei","Rhodium(III)-Catalyzed C‒H Activation and Amidation of Arenes UsingN-Arenesulfonated Imides as Amidating Reagents","Organic Letters","2013","15","14","3706","","10.1021/ol401569u","","","0.71073","MoKα","","0.0529","0.0355","","","0.0964","0.1064","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512193","8.1947","0.0015","14.384","0.003","18.795","0.003","90","","90.963","0.009","90","","2215.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-(benzenesulfonyl)-2-(4-chloro-2-nitrophenyl)-4-hydroxy-9H-carbazole-3-carbaldehyde","","- C25 H15 Cl N2 O6 S -","- C25 H15 Cl N2 O6 S -","- C100 H60 Cl4 N8 O24 S4 -","4","1","","Ramalingam, Bose Muthu; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","Synthesis of Calothrixins and Its Analogs Using FeCl3-Mediated Domino Reaction Protocol","Organic Letters","2013","15","14","3726","","10.1021/ol4015738","","","0.71073","MoKα","","0.0786","0.0534","","","0.1468","0.1721","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512194","11.627","0.002","12.127","0.002","14.846","0.003","90","","90","","90","","2093.3","0.7","263","","263","","","","","","","","Chemical Synthesis","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O6 -","- C23 H30 O6 -","- C92 H120 O24 -","4","1","","Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Wild, Christopher; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","Overcoming Synthetic Challenges of Oridonin A-Ring Structural Diversification: Regio- and Stereoselective Installation of Azides and 1,2,3-Triazoles at the C-1, C-2, or C-3 Position","Organic Letters","2013","15","14","3718","","10.1021/ol4015865","","","1.5418","CuKα","","0.0408","0.039","","0.1006","0.0986","0.1006","","","","","","0.9072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512195","6.2382","0.0006","13.1872","0.0011","15.828","0.0014","90","","92.814","0.007","90","","1300.5","0.2","263","","263","","","","","","","","Chemical Synthesis","4","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 O6 -","- C29 H31 N3 O6 -","- C58 H62 N6 O12 -","2","1","","Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Wild, Christopher; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","Overcoming Synthetic Challenges of Oridonin A-Ring Structural Diversification: Regio- and Stereoselective Installation of Azides and 1,2,3-Triazoles at the C-1, C-2, or C-3 Position","Organic Letters","2013","15","14","3718","","10.1021/ol4015865","","","1.5418","CuKα","","0.0472","0.0447","","0.1201","0.1182","0.1201","","","","","","0.9847","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512196","15.3838","0.0003","14.0397","0.0004","10.9931","0.0003","90","","90","","90","","2374.33","0.1","263","","263","","","","","","","","Chemical Synthesis","4","P 21 21 2","P 2 2ab","18","","","","- C23 H30 N3 O9 -","- C23 H30 N3 O9 -","- C92 H120 N12 O36 -","4","1","","Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Wild, Christopher; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia","Overcoming Synthetic Challenges of Oridonin A-Ring Structural Diversification: Regio- and Stereoselective Installation of Azides and 1,2,3-Triazoles at the C-1, C-2, or C-3 Position","Organic Letters","2013","15","14","3718","","10.1021/ol4015865","","","1.5418","CuKα","","0.0609","0.0547","","0.1559","0.1539","0.1559","","","","","","1.1331","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512197","9.293","0.0002","17.248","0.0005","9.729","0.0002","90","","94.173","0.001","90","","1555.29","0.06","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Garland, Keira; Gan, Wei; Depatie-Sicard, Charlotte; Beauchemin, Andr","A Practical Approach to Semicarbazone and Hydrazone Derivatives via Imino-isocyanates.","Organic letters","2013","15","16","4074","4077","10.1021/ol4016089","","","0.71073","MoKα","","0.0768","0.0499","","","0.1134","0.1261","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512198","13.1393","0.0016","9.7705","0.0012","27.212","0.003","90","","110.152","0.005","90","","3279.5","0.7","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C160 H144 O24 -","8","2","","Chen, Bo; Ma, Shengming","Tandem Michael addition/cyclization reaction of 2,3-allenoates with organozincs: facile synthesis of isocoumarins.","Organic letters","2013","15","15","3884","3887","10.1021/ol401625t","","","0.71073","MoKα","","0.0638","0.041","","","0.1045","0.1216","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512199","9.679","0.0007","11.8883","0.0008","22.4824","0.0016","90","","90","","90","","2587","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 Cl2 N2 O7 S -","- C26 H22 Cl2 N2 O7 S -","- C104 H88 Cl8 N8 O28 S4 -","4","1","","Zhang, Yong-Qiang; Yuan, Yong-An; Liu, Guan-Sai; Xu, Hao","Iron(II)-Catalyzed Asymmetric Intramolecular Aminohydroxylation of Indoles.","Organic letters","2013","15","15","3910","3913","10.1021/ol401666e","","","0.71073","MoKα","","0.0572","0.0482","","","0.1153","0.1218","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512200","9.622","0.0013","18.082","0.002","19.975","0.003","90","","90","","90","","3475.4","0.8","172.3","","172.3","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 Cl5 N3 O7 S -","- C33 H26 Cl5 N3 O7 S -","- C132 H104 Cl20 N12 O28 S4 -","4","1","","Zhang, Yong-Qiang; Yuan, Yong-An; Liu, Guan-Sai; Xu, Hao","Iron(II)-Catalyzed Asymmetric Intramolecular Aminohydroxylation of Indoles.","Organic letters","2013","15","15","3910","3913","10.1021/ol401666e","","","0.71073","MoKα","","0.0706","0.0561","","","0.1352","0.1451","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512201","7.366","0.0012","16.75","0.003","17.108","0.003","64.891","0.004","81.409","0.004","78.963","0.004","1870.5","0.6","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H29 Cl3 N4 -","- C47 H29 Cl3 N4 -","- C94 H58 Cl6 N8 -","2","1","","Nanjo, Takeshi; Yamamoto, Sho; Tsukano, Chihiro; Takemoto, Yoshiji","Synthesis of 3-Acyl-2-arylindole via Palladium-catalyzed Isocyanide Insertion and Oxypalladation of Alkyne","Organic Letters","2013","15","14","3754","","10.1021/ol4016699","","","0.71075","MoKα","","","0.0838","","","","0.2326","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512202","8.665","0.001","6.883","0.004","21.851","0.003","90","","96.68","0.01","90","","1294.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Methyl-7-fluoro-1,4-dihydro-1-(2-iodoethyl)-4-oxoquinoline-3-carboxylate","","- C13 H11 F I N O3 -","- C13 H11 F I N O3 -","- C52 H44 F4 I4 N4 O12 -","4","1","","Pretali, Luca; Dondi, Daniele; D'Angelantonio, Mila; Manet, Ilse; Fasani, Elisa; Monti, Sandra; Bovio, Bruna; Albini, Angelo","A Fluorine 1,2-Migration via Aryl Cation/Radical/Radical Anion/Radical Sequence.","Organic letters","2013","15","15","3926","3929","10.1021/ol401670p","","","0.710738","MoKα","","","","","","","","","","","","","1.151","","","","has coordinates","288073","2023-12-06","14:02:23",""
"1512203","12.798","0.003","14.387","0.003","7.154","0.007","90","","98.78","0.05","90","","1301.8","1.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Methyl-1-ethyl-7-fluoro-8-iodo-4-oxa-1,4-dihydroquinoline-3-carboxylate","","- C13 H11 F I N O3 -","- C13 H11 F I N O3 -","- C52 H44 F4 I4 N4 O12 -","4","1","","Pretali, Luca; Dondi, Daniele; D'Angelantonio, Mila; Manet, Ilse; Fasani, Elisa; Monti, Sandra; Bovio, Bruna; Albini, Angelo","A Fluorine 1,2-Migration via Aryl Cation/Radical/Radical Anion/Radical Sequence.","Organic letters","2013","15","15","3926","3929","10.1021/ol401670p","","","0.710738","MoKα","","","","","","","","","","","","","0.847","","","","has coordinates","288073","2023-12-06","14:02:31",""
"1512204","20.55","0.004","6.89","0.006","17.53","0.004","90","","106.8","0.02","90","","2376","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Methyl-1-ethyl-7,8-difluoro-oxa-1,4-dihydroquinoline-3-carboxylate","","- C13 H11 F2 N O3 -","- C13 H11 F2 N O3 -","- C104 H88 F16 N8 O24 -","8","1","","Pretali, Luca; Dondi, Daniele; D'Angelantonio, Mila; Manet, Ilse; Fasani, Elisa; Monti, Sandra; Bovio, Bruna; Albini, Angelo","A Fluorine 1,2-Migration via Aryl Cation/Radical/Radical Anion/Radical Sequence.","Organic letters","2013","15","15","3926","3929","10.1021/ol401670p","","","0.710738","MoKα","","0.1664","0.069","","","0.1643","0.2209","","","","","","0.992","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512205","15.5356","0.0008","11.3553","0.0006","16.514","0.0007","90","","100.571","0.002","90","","2863.8","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N4 -","- C36 H34 N4 -","- C144 H136 N16 -","4","1","","Dange, Nitin S.; Hong, Bor-Cherng; Lee, Chih-Ching; Lee, Gene-Hsiang","One-Pot Asymmetric Synthesis of Seven-Membered Carbocycles Cyclohepta[b]indoles via a Sequential Organocatalytic Michael/Double Friedel-Crafts Alkylation Reaction.","Organic letters","2013","15","15","3914","3917","10.1021/ol4016749","","","0.71073","MoKα","","0.1156","0.0662","","","0.1793","0.2027","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512206","12.0729","0.0006","9.5122","0.0005","13.6363","0.0007","90","","109.831","0.0011","90","","1473.13","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H31 Br Cl2 N4 -","- C34 H31 Br Cl2 N4 -","- C68 H62 Br2 Cl4 N8 -","2","1","","Dange, Nitin S.; Hong, Bor-Cherng; Lee, Chih-Ching; Lee, Gene-Hsiang","One-Pot Asymmetric Synthesis of Seven-Membered Carbocycles Cyclohepta[b]indoles via a Sequential Organocatalytic Michael/Double Friedel-Crafts Alkylation Reaction.","Organic letters","2013","15","15","3914","3917","10.1021/ol4016749","","","0.71073","MoKα","","0.0502","0.0445","","","0.1056","0.1096","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512207","24.5096","0.0014","12.7187","0.0007","21.1911","0.0012","90","","118.298","0.0012","90","","5816.5","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H30 Br Cl N4 -","- C33.5 H30 Br Cl N4 -","- C268 H240 Br8 Cl8 N32 -","8","1","","Dange, Nitin S.; Hong, Bor-Cherng; Lee, Chih-Ching; Lee, Gene-Hsiang","One-Pot Asymmetric Synthesis of Seven-Membered Carbocycles Cyclohepta[b]indoles via a Sequential Organocatalytic Michael/Double Friedel-Crafts Alkylation Reaction.","Organic letters","2013","15","15","3914","3917","10.1021/ol4016749","","","0.71073","MoKα","","0.1058","0.0741","","","0.1724","0.1905","","","","","","1.042","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512208","22.827","0.002","4.0137","0.0004","13.1725","0.0012","90","","90","","90","","1206.87","0.19","298","2","298","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","1","","Rout, Saroj Kumar; Guin, Srimanta; Banerjee, Arghya; Khatun, Nilufa; Gogoi, Anupal; Patel, Bhisma K.","Directing group assisted copper-catalyzed chemoselective o-aroylation of phenols and enols using alkylbenzenes.","Organic letters","2013","15","16","4106","4109","10.1021/ol401682a","","","0.71073","MoKα","","0.0495","0.0418","","","0.1201","0.1287","","","","","","0.979","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512209","10.1571","0.0003","13.275","0.0003","17.2305","0.0004","111.326","0.002","91.833","0.002","100.944","0.002","2111.84","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N3 O2 S -","- C24 H25 N3 O2 S -","- C96 H100 N12 O8 S4 -","4","2","","Pujari, Sandip A.; Guénée, Laure; Lacour, Jérôme","Efficient Synthesis of Imino-methano Tröger Bases by Nitrene Insertions into C-N Bonds.","Organic letters","2013","15","15","3930","3933","10.1021/ol4016892","","","1.54184","CuKα","","0.041","0.0378","","","0.102","0.1049","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512210","14.3235","0.0006","12.319","0.0005","13.1555","0.0006","90","","108.918","0.005","90","","2195.92","0.18","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N4 O5 S -","- C23 H22 N4 O5 S -","- C92 H88 N16 O20 S4 -","4","1","","Pujari, Sandip A.; Guénée, Laure; Lacour, Jérôme","Efficient Synthesis of Imino-methano Tröger Bases by Nitrene Insertions into C-N Bonds.","Organic letters","2013","15","15","3930","3933","10.1021/ol4016892","","","0.71073","MoKα","","0.0568","0.0421","","","0.0972","0.1077","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512211","11.01618","0.00013","27.3276","0.0003","8.12476","0.0001","90","","105.105","0.0012","90","","2361.42","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N3 O2 S -","- C26 H29 N3 O2 S -","- C104 H116 N12 O8 S4 -","4","1","","Pujari, Sandip A.; Guénée, Laure; Lacour, Jérôme","Efficient Synthesis of Imino-methano Tröger Bases by Nitrene Insertions into C-N Bonds.","Organic letters","2013","15","15","3930","3933","10.1021/ol4016892","","","1.54184","CuKα","","0.0365","0.0343","","","0.0964","0.0985","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512212","14.603","0.0007","19.3678","0.0005","7.3303","0.0004","90","","127.998","0.008","90","","1633.8","0.2","110","0.1","110","0.1","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H24 O3 -","- C19 H24 O3 -","- C76 H96 O12 -","4","1","","Schröder, Sybrin P; Taylor, Nicholas J.; Jackson, Paula; Franckevičius, Vilius","Catalytic decarboxylative alkenylation of enolates.","Organic letters","2013","15","14","3778","3781","10.1021/ol401729m","","","0.7107","MoKα","","0.0518","0.0425","","","0.0967","0.1026","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512213","9.0316","0.0002","10.4052","0.0002","10.9083","0.0003","99.955","0.001","97.189","0.001","97.411","0.001","989.77","0.04","172.3","","172.3","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C50 H46 N2 O8 -","2","1","","Bonderoff, Sara A.; Padwa, Albert","Rh(II)-Catalyzed Reactions of Differentially Substituted Bis(diazo) Functionalities.","Organic letters","2013","15","16","4114","4117","10.1021/ol4017468","","","0.71073","MoKα","","0.0535","0.0466","","","0.1265","0.1355","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512214","16.62503","0.00015","17.42571","0.00016","94.3127","0.001","90","","90","","90","","27322.7","0.5","123","0.1","123","0.1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C103 H144 Cl28 N24 O12 -","- C103 H144 Cl28 N24 O12 -","- C824 H1152 Cl224 N192 O96 -","8","1","","Aav, Riina; Shmatova, Elena; Reile, Indrek; Borissova, Maria; Topić, Filip; Rissanen, Kari","New Chiral Cyclohexylhemicucurbit[6]uril","Organic Letters","2013","15","14","3786","","10.1021/ol401766a","","","1.54184","CuKα","","0.0897","0.0847","","","0.2134","0.2162","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512215","19.412","0.003","9.325","0.001","12.312","0.002","90","","105.25","0.05","90","","2150.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O2 -","- C26 H25 N O2 -","- C104 H100 N4 O8 -","4","1","","Gicquel, Maxime; Gomez, Catherine; Retailleau, Pascal; Voituriez, Arnaud; Marinetti, Angela","Synthesis of 3,3'-Spirocyclic Oxindoles via Phosphine Catalyzed [4 + 2] Cyclizations.","Organic letters","2013","15","15","4002","4005","10.1021/ol401798w","","","0.7107","MoKα","","0.0834","0.0567","","","0.1508","0.1721","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512216","9.1775","0.0001","16.572","0.0003","33.404","0.002","90","","90","","90","","5080.4","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H27 N O4 -","- C30 H27 N O4 -","- C240 H216 N8 O32 -","8","1","","Gicquel, Maxime; Gomez, Catherine; Retailleau, Pascal; Voituriez, Arnaud; Marinetti, Angela","Synthesis of 3,3'-Spirocyclic Oxindoles via Phosphine Catalyzed [4 + 2] Cyclizations.","Organic letters","2013","15","15","4002","4005","10.1021/ol401798w","","","1.54187","CuKα","","0.0563","0.0451","","","0.1177","0.1381","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512217","7.9286","0.0005","18.8445","0.0012","15.5568","0.0008","90","","102.925","0.003","90","","2265.5","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 S -","- C26 H22 N2 O4 S -","- C104 H88 N8 O16 S4 -","4","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.0823","0.0684","","","0.1802","0.1949","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512218","13.6408","0.0009","14.9052","0.001","25.8964","0.0017","87.933","0.003","76.792","0.004","72.673","0.003","4890.4","0.6","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C107 H91 N8 O17 S4 -","- C107 H91 N8 O17 S4 -","- C214 H182 N16 O34 S8 -","2","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.1028","0.0705","","","0.1802","0.2001","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512219","14.115","0.004","14.187","0.004","14.479","0.004","119.153","0.009","92.756","0.011","113.314","0.009","2218","1.1","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C46 H32 Cl6 N4 O6 S2 -","- C46 H32 Cl6 N4 O6 S2 -","- C92 H64 Cl12 N8 O12 S4 -","2","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.0468","0.0342","","","0.0828","0.0905","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512220","13.035","0.0016","13.4262","0.0017","15.559","0.0019","79.862","0.005","75.575","0.005","88.295","0.005","2595.7","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C50 H36 Cl6 N4 O10 S2 -","- C50 H36 Cl6 N4 O10 S2 -","- C100 H72 Cl12 N8 O20 S4 -","2","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.0613","0.0442","","","0.1285","0.1397","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512221","14.1033","0.001","10.586","0.0009","20.4253","0.0017","90","","94.889","0.004","90","","3038.4","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Cl2 N2 O2 -","- C16 H12 Cl2 N2 O2 -","- C128 H96 Cl16 N16 O16 -","8","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.0636","0.0395","","","0.0965","0.1085","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512222","16.173","0.004","11.469","0.002","17.766","0.003","90","","90","","90","","3295.4","1.1","293","2","293","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C128 H112 Cl16 N16 O16 -","8","1","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.1475","0.0548","","","0.1184","0.1515","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512223","11.5935","0.0008","7.686","0.0005","19.0936","0.0015","90","","127.088","0.002","90","","1357.21","0.17","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 N2 O2 S -","- C16 H10 N2 O2 S -","- C64 H40 N8 O8 S4 -","4","0.5","","Trita, Andrada Stefania; Roisnel, Thierry; Mongin, Florence; Chevallier, Floris","Hydrogen Bond Templated 1:1 Macrocyclization through an Olefin Metathesis/Hydrogenation Sequence","Organic Letters","2013","15","14","3798","","10.1021/ol401803t","","x-ray","0.71073","MoKα","","0.0609","0.0543","","","0.1761","0.1784","","","","","","1.418","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512224","14.9276","0.0008","7.5419","0.0004","18.8462","0.001","90","","108.512","0.001","90","","2011.97","0.19","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C45 H38 F6 Fe N2 O P2 S -","- C45 H38 F6 Fe N2 O P2 S -","- C90 H76 F12 Fe2 N4 O2 P4 S2 -","2","1","","Zhao, Qingyang; Li, Shengkun; Huang, Kexuan; Wang, Rui; Zhang, Xumu","A Novel Chiral Bisphosphine-Thiourea Ligand for Asymmetric Hydrogenation of β,β-Disubstituted Nitroalkenes.","Organic letters","2013","15","15","4014","4017","10.1021/ol401816y","","","0.71073","MoKα","","0.0653","0.0558","","","0.1176","0.1227","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512225","10.243","0.002","11.793","0.003","11.837","0.003","78.405","0.004","68.083","0.004","66.765","0.004","1216.5","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H22 Br F N2 O2 S -","- C29 H22 Br F N2 O2 S -","- C58 H44 Br2 F2 N4 O4 S2 -","2","1","","Zhu, Yu; Lu, Wen-Ting; Sun, Hong-Chao; Zhan, Zhuang-Ping","Lewis Base Catalyzed Synthesis of Multisubstituted 4-Sulfonyl-1H-Pyrazole Involving a Novel 1,3-Sulfonyl Shift.","Organic letters","2013","15","16","4146","4149","10.1021/ol401818m","","","0.71073","MoKα","","0.0454","0.039","","","0.1134","0.1163","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512226","10.1413","0.0001","8.5445","0.0001","10.7861","0.0007","90","","105.649","0.007","90","","900","0.07","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O5 S -","- C18 H30 O5 S -","- C36 H60 O10 S2 -","2","1","","Huang, Jun; Fang, Lichao; Long, Rong; Shi, Li-Li; Shen, Hong-Juan; Li, Chuang-Chuang; Yang, Zhen","Asymmetric Total Synthesis of (+)-Fusarisetin A via the Intramolecular Pauson-Khand Reaction.","Organic letters","2013","15","15","4018","4021","10.1021/ol401831w","","","1.54187","CuKα","","0.0324","0.0293","","","0.069","0.0712","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512227","14.738","0.003","20.322","0.004","8.7366","0.0017","90","","93.02","0.03","90","","2613","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 N2 -","- C33 H30 N2 -","- C132 H120 N8 -","4","1","","Zhan, Ming; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Diazo Compounds as Electrophiles To React with 1,4-Dilithio-1,3-dienes: Efficient Synthesis of 1-Imino-pyrrole Derivatives.","Organic letters","2013","15","16","4182","4185","10.1021/ol401878q","","","0.71073","MoKα","","0.2234","0.0646","","","0.1106","0.1481","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512228","9.0547","0.0018","14.315","0.003","14.612","0.003","104.88","0.03","95.42","0.03","90.83","0.03","1820.8","0.7","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H38 N4 -","- C46 H38 N4 -","- C92 H76 N8 -","2","1","","Zhan, Ming; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Diazo Compounds as Electrophiles To React with 1,4-Dilithio-1,3-dienes: Efficient Synthesis of 1-Imino-pyrrole Derivatives.","Organic letters","2013","15","16","4182","4185","10.1021/ol401878q","","","0.71073","MoKα","","0.1574","0.0529","","","0.0934","0.1127","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512229","13.3049","0.0007","13.3049","0.0007","21.044","0.002","90","","90","","90","","3725.2","0.4","180","0.1","180","0.1","","","","","","","","3","I -4","I -4","82","","","","- C42 H50 N4 -","- C42 H50 N4 -","- C168 H200 N16 -","4","0.5","","Zhan, Ming; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Diazo Compounds as Electrophiles To React with 1,4-Dilithio-1,3-dienes: Efficient Synthesis of 1-Imino-pyrrole Derivatives.","Organic letters","2013","15","16","4182","4185","10.1021/ol401878q","","","0.7107","MoKα","","0.0884","0.0708","","","0.1887","0.2086","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512230","12.6665","0.0005","13.2379","0.0006","16.9687","0.001","98.104","0.004","105.226","0.004","93.471","0.004","2703.8","0.2","179.99","0.1","179.99","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C54 H72 Cl3 Li N4 O3 Zn2 -","- C54 H72 Cl3 Li N4 O3 Zn2 -","- C108 H144 Cl6 Li2 N8 O6 Zn4 -","2","1","","Zhan, Ming; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng","Diazo Compounds as Electrophiles To React with 1,4-Dilithio-1,3-dienes: Efficient Synthesis of 1-Imino-pyrrole Derivatives.","Organic letters","2013","15","16","4182","4185","10.1021/ol401878q","","","0.7107","MoKα","","0.0572","0.0416","","","0.1009","0.1117","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512231","9.513","0.005","18.292","0.005","9.488","0.005","90","0.005","90","0.005","90","0.005","1651","1.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Li, Mengru; Lin, Shaoxia; Dong, Zhiyong; Zhang, Xintong; Liang, Fushun; Zhang, Jingping","Organocatalyzed anion relay leading to functionalized 2,3-dihydrofurans.","Organic letters","2013","15","15","3978","3981","10.1021/ol401881n","","","0.71069","MoKα","","0.065","0.0416","","","0.0847","0.0956","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512232","9.335","0.003","17.041","0.004","8.6","0.003","90","","116","0.04","90","","1229.6","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 S -","- C15 H14 S -","- C60 H56 S4 -","4","1","","Singh, Rahul; Raghuvanshi, Dushyant Singh; Singh, Krishna Nand","Regioselective hydrothiolation of alkynes by sulfonyl hydrazides using organic ionic base-Brønsted Acid.","Organic letters","2013","15","16","4202","4205","10.1021/ol401925u","","","0.71073","MoKα","","0.1975","0.0731","","","0.1478","0.2078","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512233","7.8181","0.0007","12.6128","0.001","21.2217","0.0018","90","","90","","90","","2092.6","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N3 O -","- C22 H35 N3 O -","- C88 H140 N12 O4 -","4","1","","Ramirez, Thomas A.; Wang, Qian; Zhu, Yingguang; Zheng, Huaiji; Peng, Xingao; Cornwall, Richard G.; Shi, Yian","Pd(0)-Catalyzed Sequential C-N Bond Formation via Allylic and Aromatic C-H Amination of α-Methylstyrenes with Diaziridinone.","Organic letters","2013","15","16","4210","4213","10.1021/ol401935c","","","0.71073","MoKα","","0.0435","0.0336","","","0.0787","0.0838","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512234","10.8005","0.001","18.9134","0.0018","11.8008","0.0011","90","","111.678","0.005","90","","2240.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 N3 O2 -","- C23 H37 N3 O2 -","- C92 H148 N12 O8 -","4","1","","Ramirez, Thomas A.; Wang, Qian; Zhu, Yingguang; Zheng, Huaiji; Peng, Xingao; Cornwall, Richard G.; Shi, Yian","Pd(0)-Catalyzed Sequential C-N Bond Formation via Allylic and Aromatic C-H Amination of α-Methylstyrenes with Diaziridinone.","Organic letters","2013","15","16","4210","4213","10.1021/ol401935c","","","0.71073","MoKα","","0.0618","0.0441","","","0.1141","0.1257","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512235","11.0384","0.0004","10.4162","0.0003","20.8009","0.0007","90","","92.418","0.002","90","","2389.52","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 N3 O -","- C26 H37 N3 O -","- C104 H148 N12 O4 -","4","1","","Ramirez, Thomas A.; Wang, Qian; Zhu, Yingguang; Zheng, Huaiji; Peng, Xingao; Cornwall, Richard G.; Shi, Yian","Pd(0)-Catalyzed Sequential C-N Bond Formation via Allylic and Aromatic C-H Amination of α-Methylstyrenes with Diaziridinone.","Organic letters","2013","15","16","4210","4213","10.1021/ol401935c","","","0.71073","MoKα","","0.0769","0.0494","","","0.1208","0.1356","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512236","10.2819","0.0004","14.7015","0.0006","19.599","0.0008","90","","90","","90","","2962.6","0.2","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 Pd -","- C18 H24 Pd -","- C144 H192 Pd8 -","8","1","","Ramirez, Thomas A.; Wang, Qian; Zhu, Yingguang; Zheng, Huaiji; Peng, Xingao; Cornwall, Richard G.; Shi, Yian","Pd(0)-Catalyzed Sequential C-N Bond Formation via Allylic and Aromatic C-H Amination of α-Methylstyrenes with Diaziridinone.","Organic letters","2013","15","16","4210","4213","10.1021/ol401935c","","","0.71073","MoKα","","0.0209","0.0178","","","0.0453","0.0469","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512237","9.6209","0.0009","7.1606","0.0005","13.1936","0.0006","90","","94.002","0.006","90","","906.71","0.11","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Br N2 O -","- C20 H19 Br N2 O -","- C40 H38 Br2 N4 O2 -","2","1","","He, Ying; Kang, Tai-Ran; Liu, Quan-Zhong; Chen, Lian-Mei; Tu, Yi-Lian; Liu, Ya-Jun; Chen, Tang-Bin; Wang, Zhi-Qiang; Liu, Jie; Xie, Yong-Mei; Yang, Jin-Liang; He, Long","One-pot synthesis of optically enriched 2-piperidinones from aliphatic aldehydes and cyanoacrylamides.","Organic letters","2013","15","16","4054","4057","10.1021/ol401951g","","","0.71073","MoKα","","0.0747","0.041","","","0.072","0.0838","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512238","18.969","0.005","13.405","0.003","10.267","0.003","90","","95.745","0.008","90","","2597.6","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N4 -","- C30 H32 N4 -","- C120 H128 N16 -","4","1","","Wang, Xiang; Xu, Xiao-Ping; Wang, Shun-Yi; Zhou, Weiqun; Ji, Shun-Jun","Highly Efficient Chemoselective Synthesis of Polysubstituted Pyrroles via Isocyanide-Based Multicomponent Domino Reaction.","Organic letters","2013","15","16","4246","4249","10.1021/ol401976w","","","0.7107","MoKα","","0.0934","0.0722","","","0.1566","0.1705","","","","","","0.989","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1512239","11.1006","0.0007","9.0852","0.0006","12.0402","0.0007","90","","90.869","0.001","90","","1214.13","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl O -","- C15 H13 Cl O -","- C60 H52 Cl4 O4 -","4","1","","Kawade, Rahul Kisan; Liu, Rai-Shung","Gold-Catalyzed Oxidative Cyclization of 4-Allenyl-1-ynes with 8-Methylquinoline Oxide.","Organic letters","2013","15","16","4094","4097","10.1021/ol4020199","","","0.71073","MoKα","","0.0419","0.0322","","","0.0793","0.0846","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512240","7.1859","0.0013","28.69","0.005","15.074","0.003","90","","110.274","0.008","90","","2915.2","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C144 H120 N24 O12 -","12","3","","Zheng, Qing-Zhong; Feng, Peng; Liang, Yu-Feng; Jiao, Ning","Pd-Catalyzed Tandem C-H Azidation and N-N Bond Formation of Arylpyridines: A Direct Approach to Pyrido[1,2-b]indazoles.","Organic letters","2013","15","16","4262","4265","10.1021/ol402060q","","","0.71073","MoKα","","0.0615","0.04","","","0.0997","0.1157","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512241","8.1965","0.0016","14.197","0.003","21.934","0.004","90","","90","","90","","2552.4","0.9","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 N O11 -","- C30 H25 N O11 -","- C120 H100 N4 O44 -","4","1","","Liu, Ling-Li; He, Li-Sheng; Xu, Ying; Han, Zhuang; Li, Yong-Xin; Zhong, Jia-Liang; Guo, Xian-Rong; Zhang, Xi-Xiang; Ko, Kam Ming; Qian, Pei-Yuan","Caspase-3-Dependent Apoptosis of Citreamicin ε-Induced HeLa Cells Is Associated with Reactive Oxygen Species Generation","Chemical Research in Toxicology","2013","26","7","1055","","10.1021/tx4000304","","","1.54178","CuKα","","0.0815","0.0471","","","0.1106","0.1308","","","","","","1.006","","","","has coordinates","287926","2023-12-01","07:54:24",""
"1512242","10.06","0.0001","16.5507","0.0002","7.0852","0.0001","90","","105.783","0.001","90","","1135.21","0.02","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","","Hinkle, Robert J.; Lewis, Shane E.","Atom Economical, One-Pot, Three-Reaction Cascade to Novel Tricyclic 2,4-Dihydro-1H-benzo[f]isochromenes.","Organic letters","2013","15","16","4070","4073","10.1021/ol401600j","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512243","8.1709","0.0005","8.5167","0.0005","14.6277","0.0009","90","","90","","90","","1017.93","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 O5 -","- C9 H14 N2 O5 -","- C36 H56 N8 O20 -","4","1","","de la Fuente, Alex; Martin, Ruben; Mena-Barragán, Teresa; Verdaguer, Xavier; García Fernández, José M.; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective Synthesis of 2-Acetamido-1,2-dideoxyallonojirimycin (DAJNAc), a New Potent Hexosaminidase Inhibitor","Organic Letters","2013","15","14","3638","","10.1021/ol401517x","","","0.71073","MoKα","","0.033","0.0323","","","0.0859","0.0865","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512244","9.0351","0.0005","9.8044","0.0005","11.3371","0.0006","90","","90","","90","","1004.28","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 O5 -","- C9 H14 N2 O5 -","- C36 H56 N8 O20 -","4","1","","de la Fuente, Alex; Martin, Ruben; Mena-Barragán, Teresa; Verdaguer, Xavier; García Fernández, José M.; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective Synthesis of 2-Acetamido-1,2-dideoxyallonojirimycin (DAJNAc), a New Potent Hexosaminidase Inhibitor","Organic Letters","2013","15","14","3638","","10.1021/ol401517x","","","0.71073","MoKα","","0.0262","0.0257","","","0.0684","0.0689","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512245","8.1261","0.0012","13.397","0.002","15.041","0.002","70.552","0.012","81.121","0.011","89.26","0.013","1524.2","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 O2 S4 -","- C38 H24 O2 S4 -","- C76 H48 O4 S8 -","2","1","","Bouit, Pierre-Antoine; Infantes, Lourdes; Calbo, Joaquín; Viruela, Rafael; Ortí, Enrique; Delgado, Juan Luis; Martín, Nazario","Efficient Light Harvesters Based on the 10-(1,3-Dithiol-2-ylidene)anthracene Core","Organic Letters","2013","15","16","4166","","10.1021/ol401841u","","","1.54178","CuKα","","0.1738","0.1046","","","0.2681","0.3158","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512246","8.311","0.0011","14.637","0.002","17.184","0.003","110.499","0.009","97.04","0.01","101.78","0.009","1873.4","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H25.22 N4 O0.61 S4 -","- C44 H24 N4 O0.61 S4 -","- C88 H48 N8 O1.22 S8 -","2","1","","Bouit, Pierre-Antoine; Infantes, Lourdes; Calbo, Joaquín; Viruela, Rafael; Ortí, Enrique; Delgado, Juan Luis; Martín, Nazario","Efficient Light Harvesters Based on the 10-(1,3-Dithiol-2-ylidene)anthracene Core","Organic Letters","2013","15","16","4166","","10.1021/ol401841u","","","1.54178","CuKα","","0.0883","0.0456","","","0.1136","0.1319","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512247","8.242","0.003","15.973","0.005","16.047","0.006","107.42","0.03","99.24","0.02","91.74","0.02","1982.6","1.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H24 N4 O4 S6 -","- C44 H24 N4 O4 S6 -","- C88 H48 N8 O8 S12 -","2","1","","Bouit, Pierre-Antoine; Infantes, Lourdes; Calbo, Joaquín; Viruela, Rafael; Ortí, Enrique; Delgado, Juan Luis; Martín, Nazario","Efficient Light Harvesters Based on the 10-(1,3-Dithiol-2-ylidene)anthracene Core","Organic Letters","2013","15","16","4166","","10.1021/ol401841u","","","1.54178","CuKα","","0.1697","0.0807","","","0.2245","0.2618","","","","","","0.805","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512249","8.343","0.005","15.605","0.005","20.06","0.005","90","","95.36","0.005","90","","2600.2","1.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 Cl Cu N6 O P -","- C24 H27 Cl Cu N6 O P -","- C96 H108 Cl4 Cu4 N24 O4 P4 -","4","1","","Gandin, Valentina; Porchia, Marina; Tisato, Francesco; Zanella, Alessandro; Severin, Emilia; Dolmella, Alessandro; Marzano, Cristina","Novel mixed-ligand copper(i) complexes: role of diimine ligands on cytotoxicity and genotoxicity.","Journal of medicinal chemistry","2013","56","18","7416","7430","10.1021/jm400965m","","","0.71073","MoKα","","0.0812","0.0657","","","0.1357","0.146","","","","","","1.188","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512250","39.605","0.008","14.234","0.003","11.434","0.002","90","","96.11","0.03","90","","6409","2","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H34 Br Cu N9 O2 P -","- C29 H34 Br Cu N9 O2 P -","- C232 H272 Br8 Cu8 N72 O16 P8 -","8","1","","Gandin, Valentina; Porchia, Marina; Tisato, Francesco; Zanella, Alessandro; Severin, Emilia; Dolmella, Alessandro; Marzano, Cristina","Novel mixed-ligand copper(i) complexes: role of diimine ligands on cytotoxicity and genotoxicity.","Journal of medicinal chemistry","2013","56","18","7416","7430","10.1021/jm400965m","","","1.5418","CuKα","","0.0385","0.032","","","0.0858","0.0891","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512251","29.36","0.003","3.8228","0.0003","24.968","0.002","90","","93.109","0.01","90","","2798.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-[(4-nitrophenyl)imino]-1H,3H-benzo[de]isochromen-1-one","3-[(4-nitrophenyl)imino]-1H,3H-benzo[de]isochromen-1-one","","- C18 H10 N2 O4 -","- C18 H10 N2 O4 -","- C144 H80 N16 O32 -","8","1","","Ganin, Eduard V.; Masunov, Artëm E.; Siminel, Anatolii V.; Fonari, Marina S.","Preparation, Characterization, and Electronic Structure of Asymmetric Isonaphthalimide: Mechanism of Dual Fluorescence in Solid State","The Journal of Physical Chemistry C","2013","117","35","18154","","10.1021/jp402016j","","","0.71073","MoKα","","0.0778","0.0486","","","0.1071","0.1266","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512252","6.2978","0.0002","11.6066","0.0003","9.6537","0.0003","90","","95.748","0.001","90","","702.1","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Al Li -","- C4 H12 Al Li -","- C16 H48 Al4 Li4 -","4","1","","Pourpoint, Frédérique; Morin, Yohann; Gauvin, Régis M.; Trébosc, Julien; Capet, Frédéric; Lafon, Olivier; Amoureux, Jean-Paul","Advances in Structural Studies on Alkylaluminum Species in the Solid State via Challenging27Al‒13C NMR Spectroscopy and X-ray Diffraction","The Journal of Physical Chemistry C","2013","117","35","18091","","10.1021/jp4055044","","","0.71073","MoKα","","0.0436","0.0363","","","0.1089","0.1159","","","","","","1.124","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512253","8.7382","0.0014","11.7601","0.0018","11.8741","0.0019","90","","99.503","0.002","90","","1203.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl N3 O S -","- C11 H12 Cl N3 O S -","- C44 H48 Cl4 N12 O4 S4 -","4","1","","Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L.","Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices.","The journal of physical chemistry. B","2013","117","36","10414","10429","10.1021/jp405624e","","","0.71073","MoKα","","0.0393","0.0316","","","0.0785","0.082","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512254","11.299","0.003","7.254","0.002","15.444","0.005","90","","101.681","0.005","90","","1239.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N3 O2 S -","- C12 H15 N3 O2 S -","- C48 H60 N12 O8 S4 -","4","1","","Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L.","Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices.","The journal of physical chemistry. B","2013","117","36","10414","10429","10.1021/jp405624e","","","0.71073","MoKα","","0.0516","0.0374","","","0.0923","0.0993","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512255","7.515","0.003","12.07","0.005","15.831","0.007","70.379","0.007","78.224","0.007","74.463","0.007","1292.8","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cl N3 O S -","- C12 H14 Cl N3 O S -","- C48 H56 Cl4 N12 O4 S4 -","4","2","","Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L.","Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices.","The journal of physical chemistry. B","2013","117","36","10414","10429","10.1021/jp405624e","","","0.71073","MoKα","","0.0816","0.0521","","","0.1277","0.1455","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512256","8.6335","0.0002","14.1307","0.0003","21.2871","0.0005","90","","90","","90","","2596.97","0.1","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 O S -","- C12 H15 N3 O S -","- C96 H120 N24 O8 S8 -","8","1","","Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L.","Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices.","The journal of physical chemistry. B","2013","117","36","10414","10429","10.1021/jp405624e","","","0.71073","MoKα","","0.0666","0.0527","","0.0791","0.0505","0.0455","","","","","","1.0748","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512257","12.606","0.008","12.807","0.008","7.633","0.007","90","","90.59","0.003","90","","1232.2","1.6","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl N3 O S -","- C11 H12 Cl N3 O S -","- C44 H48 Cl4 N12 O4 S4 -","4","1","","Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L.","Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices.","The journal of physical chemistry. B","2013","117","36","10414","10429","10.1021/jp405624e","","","0.71073","MoKα","","0.0679","0.0536","","0.0652","0.0511","0.0484","","","","","","1.1221","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512258","9.4374","0.0003","13.0463","0.0004","22.2127","0.0006","90","","90","","90","","2734.9","0.14","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 Cl N3 O S -","- C12 H14 Cl N3 O S -","- C96 H112 Cl8 N24 O8 S8 -","8","1","","Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L.","Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices.","The journal of physical chemistry. B","2013","117","36","10414","10429","10.1021/jp405624e","","","0.71073","MoKα","","0.0548","0.0491","","0.066","0.0531","0.0511","","","","","","1.0895","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512259","23.506","0.003","23.506","0.003","12.563","0.003","90","","90","","90","","6941","2","150","2","150","2","","","","","","","","5","P 42/m","-P 4c","84","h32 TBAB clathrate hydrate","tetra-n-butylammonium bromide clathrate hydrate","","- C16 H101 Br N O32.5 -","- C14.4 H32.8 Br0.8496 N1.2 O30.4112 -","- C72 H164 Br4.248 N6 O152.056 -","5","0.625","","Rodionova, Tatyana V.; Komarov, Vladislav Yu; Villevald, Galina V.; Karpova, Tamara D.; Kuratieva, Natalia V.; Manakov, Andrey Yu","Calorimetric and structural studies of tetrabutylammonium bromide ionic clathrate hydrates.","The journal of physical chemistry. B","2013","117","36","10677","10685","10.1021/jp406082z","","","0.71073","MoKα","","0.2256","0.2044","","","0.5597","0.5754","","","","","","2.615","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512260","23.492","0.003","23.492","0.003","38.021","0.008","90","","90","","90","","20983","6","150","2","150","2","","","","","","","","5","P -4","P -4","81","h24 TBAB clathrate hydrate","tetra-n-butylammonium bromide clathrate hydrate","","- C16 H84 Br N O24 -","- C12 H27 Br0.651417 N0.75 O18.7925 -","- C288 H648 Br15.634 N18 O451.02 -","24","6","","Rodionova, Tatyana V.; Komarov, Vladislav Yu; Villevald, Galina V.; Karpova, Tamara D.; Kuratieva, Natalia V.; Manakov, Andrey Yu","Calorimetric and structural studies of tetrabutylammonium bromide ionic clathrate hydrates.","The journal of physical chemistry. B","2013","117","36","10677","10685","10.1021/jp406082z","","","0.71073","MoKα","","0.2679","0.1987","","","0.4307","0.4984","","","","","","1.83","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512261","33.115","0.004","33.158","0.004","50.499","0.007","90","","90","","90","","55449","12","150","2","150","2","","","","","","","","5","C c c m","-C 2 2c","66","h26 TBAB clathrate hydrate","tetra-n-butylammonium bromide clathrate hydrate","","- C16 H88.8 Br N O26.4 -","- Br1.06463 N0.375 O16.2458 -","- Br68.136 N24 O1039.73 -","64","4","","Rodionova, Tatyana V.; Komarov, Vladislav Yu; Villevald, Galina V.; Karpova, Tamara D.; Kuratieva, Natalia V.; Manakov, Andrey Yu","Calorimetric and structural studies of tetrabutylammonium bromide ionic clathrate hydrates.","The journal of physical chemistry. B","2013","117","36","10677","10685","10.1021/jp406082z","","","0.71073","MoKα","","0.4876","0.4569","","","0.7917","0.8051","","","","","","6.396","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512262","5.067","0.002","18.451","0.008","14.842","0.007","90","","95.254","0.009","90","","1381.8","1","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H38 N4 O7 S2 -","- C23 H38 N4 O7 S2 -","- C46 H76 N8 O14 S4 -","2","1","","Li, Fee; Bravo-Rodriguez, Kenny; Fernandez-Oliva, Miguel; Ramirez-Anguita, Juan M.; Merz, Klaus; Winter, Manuela; Lehmann, Christian W.; Sander, Wolfram; Sanchez-Garcia, Elsa","Stereochemistry Rules: A Single Stereocenter Changes the Conformation of a Cyclic Tetrapeptide","The Journal of Physical Chemistry B","2013","117","37","10785","","10.1021/jp406497r","","","0.71073","MoKα","","0.0888","0.0743","","","0.176","0.1879","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512263","16.1483","0.0011","18.7091","0.0012","18.8204","0.0012","90","","90","","90","","5686","0.6","","","","","","","","","","","hexane,aceticacid","5","P 21 21 21","P 2ac 2ab","19","","Title","","- C23 H38 N4 O7 S2 -","- C23 H38 N4 O7 S2 -","- C184 H304 N32 O56 S16 -","8","2","","Li, Fee; Bravo-Rodriguez, Kenny; Fernandez-Oliva, Miguel; Ramirez-Anguita, Juan M.; Merz, Klaus; Winter, Manuela; Lehmann, Christian W.; Sander, Wolfram; Sanchez-Garcia, Elsa","Stereochemistry Rules: A Single Stereocenter Changes the Conformation of a Cyclic Tetrapeptide","The Journal of Physical Chemistry B","2013","117","37","10785","","10.1021/jp406497r","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512264","10.5135","0.0008","8.9204","0.0007","12.3777","0.0009","90","","94.275","0.004","90","","1157.61","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Br2 N2 O2 -","- C22 H14 Br2 N2 O2 -","- C44 H28 Br4 N4 O4 -","2","0.5","","Cui, Weibin; Wudl, Fred","Dithienylbenzodipyrrolidone: New Acceptor for Donor‒Acceptor Low Band Gap Polymers","Macromolecules","2013","46","18","7232","","10.1021/ma400008h","","","0.71073","MoKα","","0.1013","0.0923","","","0.2701","0.2752","","","","","","3.218","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512265","5.5147","0.0011","9.2059","0.0019","14.389","0.003","71.786","0.007","84.056","0.007","73.638","0.007","665.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 N2 O2 S2 -","- C30 H12 N2 O2 S2 -","- C30 H12 N2 O2 S2 -","1","0.5","","Cui, Weibin; Wudl, Fred","Dithienylbenzodipyrrolidone: New Acceptor for Donor‒Acceptor Low Band Gap Polymers","Macromolecules","2013","46","18","7232","","10.1021/ma400008h","","","0.71073","MoKα","","0.0995","0.0781","","","0.2015","0.209","","","","","","1.67","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512266","10.5199","0.0004","20.54","0.0007","29.3486","0.0011","90","","98.125","0.001","90","","6278","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C8H14[OSSO]Hf(CH2Ph)2","C8H14[OSSO]Hf(CH2Ph)2","","- C70 H94 Hf O2 S2 -","- C70 H94 Hf O2 S2 -","- C280 H376 Hf4 O8 S8 -","4","1","","Nakata, Norio; Toda, Tomoyuki; Matsuo, Tsukasa; Ishii, Akihiko","Controlled Isospecific Polymerization of α-Olefins by Hafnium Complex Incorporating with atrans-Cyclooctanediyl-Bridged [OSSO]-Type Bis(phenolate) Ligand","Macromolecules","2013","46","17","6758","","10.1021/ma401115v","","","0.71073","MoKα","","0.0537","0.039","","","0.0828","0.0896","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512267","8.2715","0.0009","10.4269","0.0014","19.179","0.0018","90","","90","","90","","1654.1","0.3","293","2","293","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C24 H14 -","- C24 H14 -","- C96 H56 -","4","1","","Mondal, Snehasish; Chakraborty, Sourav; Bhowmick, Sourav; Das, Neeladri","Synthesis of Triptycene-Based Organosoluble, Thermally Stable, and Fluorescent Polymers: Efficient Host‒Guest Complexation with Fullerene","Macromolecules","2013","46","17","6824","","10.1021/ma401421k","","","1.54184","CuKα","","0.0401","0.037","","","0.0981","0.1017","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512268","6.0854","0.0001","13.6015","0.0002","22.6317","0.0003","90","","90","","90","","1873.24","0.05","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O4 -","- C20 H32 O4 -","- C80 H128 O16 -","4","1","","Li, De-Zheng; Tang, Chunping; Quinn, Ronald J.; Feng, Yunjiang; Ke, Chang-Qiang; Yao, Sheng; Ye, Yang","ent-Labdane Diterpenes from the Stems of Mallotus japonicus.","Journal of natural products","2013","76","9","1580","1585","10.1021/np400241p","","","1.54178","CuKα","","0.0471","0.0448","","","0.1299","0.1327","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512269","44.5917","0.0012","9.6204","0.0002","37.0616","0.001","90","","122.453","0.002","90","","13416.1","0.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H36 N2 O5 -","- C27 H36 N2 O5 -","- C540 H720 N40 O100 -","20","5","","Silber, Johanna; Ohlendorf, Birgit; Labes, Antje; Näther, Christian; Imhoff, Johannes F.","Calcaripeptides a-C, cyclodepsipeptides from a calcarisporium strain.","Journal of natural products","2013","76","8","1461","1467","10.1021/np400262t","","","0.71073","MoKα","","0.0782","0.0521","","","0.1089","0.1205","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512270","4.619","0.004","11.969","0.009","29.55","0.02","90","","90","","90","","1634","2","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic total synthesis of the phytotoxic geranylcyclohexentriol (-)-phomentrioloxin.","Journal of natural products","2013","76","8","1514","1518","10.1021/np4002866","","","0.71073","MoKα","","0.195","0.1214","","0.2917","0.2353","0.2917","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512271","9.5122","0.0002","15.1148","0.0002","16.0879","0.0003","90","","90.1171","0.0009","90","","2313.03","0.07","200","","200","","","","","","","","local","5","P 1 21 1","P 2yb","4","","","","- C19 H35 I O4 Si -","- C19 H35 I O4 Si -","- C76 H140 I4 O16 Si4 -","4","2","","Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic total synthesis of the phytotoxic geranylcyclohexentriol (-)-phomentrioloxin.","Journal of natural products","2013","76","8","1514","1518","10.1021/np4002866","","","0.71073","MoKα","","0.0508","0.0351","","0.079","0.0729","0.079","","","","","","0.9766","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512272","12.2253","0.0002","16.6218","0.0002","18.6036","0.0003","90","","90","","90","","3780.37","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C40 H62 O7 -","- C40 H62 O7 -","- C160 H248 O28 -","4","1","","Liu, Xia; Yang, Xing-Wei; Chen, Chao-Qun; Wu, Chun-Yan; Zhang, Jing-Jing; Ma, Jun-Zeng; Wang, Huan; Yang, Li-Xin; Xu, Gang","Bioactive Polyprenylated Acylphloroglucinol Derivatives from Hypericum cohaerens.","Journal of natural products","2013","76","9","1612","1618","10.1021/np400287r","","","1.54178","CuKα","","0.0423","0.0385","","","0.1019","0.1053","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512273","7.9551","0.0002","11.0331","0.0003","21.0769","0.0008","90","","90","","90","","1849.91","0.1","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Liu, Na; Li, Rui-Juan; Wang, Xiao-Ning; Zhu, Rong-Xiu; Wang, Lei; Lin, Zhao-Min; Zhao, Yu; Lou, Hong-Xiang","Highly Oxygenated ent-Pimarane-Type Diterpenoids from the Chinese Liverwort Pedinophyllum interruptum and Their Allelopathic Activities.","Journal of natural products","2013","76","9","1647","1653","10.1021/np4003178","","","0.71069","MoKα","","0.1006","0.0544","","","0.135","0.1625","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512274","8.9471","0.0005","19.6621","0.0008","20.863","0.0008","90","","90","","90","","3670.2","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C160 H240 O24 -","8","2","","Liu, Na; Li, Rui-Juan; Wang, Xiao-Ning; Zhu, Rong-Xiu; Wang, Lei; Lin, Zhao-Min; Zhao, Yu; Lou, Hong-Xiang","Highly Oxygenated ent-Pimarane-Type Diterpenoids from the Chinese Liverwort Pedinophyllum interruptum and Their Allelopathic Activities.","Journal of natural products","2013","76","9","1647","1653","10.1021/np4003178","","","0.71069","MoKα","","0.1714","0.0769","","","0.192","0.2431","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512275","10.1613","0.0019","12.298","0.002","20.717","0.004","90","","90","","90","","2588.9","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 O5 -","- C30 H46 O5 -","- C120 H184 O20 -","4","1","","Moridi Farimani, Mahdi; Nejad Ebrahimi, Samad; Salehi, Peyman; Bahadori, Mir Babak; Sonboli, Ali; Khavasi, Hamid Reza; Zimmermann, Stefanie; Kaiser, Marcel; Hamburger, Matthias","Antitrypanosomal Triterpenoid with an ε-Lactone E-Ring from Salvia urmiensis.","Journal of natural products","2013","76","9","1806","1809","10.1021/np400337a","","","0.71073","MoKα","","0.0913","0.0561","","","0.1122","0.125","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512276","20.9983","0.0006","7.8332","0.0002","23.1219","0.0009","90","","93.695","0.001","90","","3795.3","0.2","140","1","140","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(1R,3aS,3bS,4aS,5aS,6S,9aS,9bS,11aR)-6,9a,11a-trimethyl-1- ((R)-6-methylhept-5-en-2-yl)dodecahydro-9b,3a- (epoxymethano)cyclopenta[7,8]phenanthro[8a,9-b]oxirene-7,13(8H)-dione","","- C29 H42 O4 -","- C29 H42 O4 -","- C174 H252 O24 -","6","3","","Kolesnikova, Sophia A.; Lyakhova, Ekaterina G.; Kalinovsky, Anatoly I.; Pushilin, Michail A.; Afiyatullov, Shamil Sh; Yurchenko, Ekaterina A.; Dyshlovoy, Sergey A.; Minh, Chau V.; Stonik, Valentin A.","Isolation, Structures, and Biological Activities of Triterpenoids from a Penares sp. Marine Sponge.","Journal of natural products","2013","76","9","1746","1752","10.1021/np400388x","","x-ray","0.71073","MoKα","","0.0524","0.0385","","","0.085","0.0908","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512277","8.9991","0.0001","10.3062","0.0002","30.5548","0.0005","90","","90","","90","","2833.85","0.08","173","","173","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H46 O12 -","- C29 H46 O12 -","- C116 H184 O48 -","4","1","","Liu, Qian; Tang, Jin-Shan; Hu, Meng-Jie; Liu, Jie; Chen, Hai-Feng; Gao, Hao; Wang, Guang-Hui; Li, Shun-Lin; Hao, Xiao-Jiang; Zhang, Xiao-Kun; Yao, Xin-Sheng","Antiproliferative Cardiac Glycosides from the Latex of Antiaris toxicaria.","Journal of natural products","2013","76","9","1771","1780","10.1021/np4005147","","","1.5418","CuKα","","0.0385","0.0369","","","0.1029","0.1044","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512278","9.755","0.002","7.3684","0.0015","13.584","0.003","90","","94.78","0.03","90","","973","0.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C46 H42 N6 O8 -","2","1","","Zhao, Ji-Chen; Yu, Shun-Ming; Liu, Yun; Yao, Zhu-Jun","Biomimetic Synthesis of ent-(-)-Azonazine and Stereochemical Reassignment of Natural Product.","Organic letters","2013","15","17","4300","4303","10.1021/ol4015706","","","1.54178","CuKα","","0.0363","0.0355","","","0.0949","0.0958","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512279","8.495","","14.253","","39.77","","90","","90","","90","","4815.32","","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 F6 N3 O5 -","- C25 H21 F6 N3 O5 -","- C200 H168 F48 N24 O40 -","8","2","","Zhao, Ji-Chen; Yu, Shun-Ming; Liu, Yun; Yao, Zhu-Jun","Biomimetic Synthesis of ent-(-)-Azonazine and Stereochemical Reassignment of Natural Product.","Organic letters","2013","15","17","4300","4303","10.1021/ol4015706","","","1.54178","CuKα","","0.0562","0.0487","","","0.1353","0.1434","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512280","12.216","0.002","7.8934","0.0016","13.14","0.003","90","","113.92","0.03","90","","1158.2","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H21 F6 N3 O5 -","- C25 H21 F6 N3 O5 -","- C50 H42 F12 N6 O10 -","2","1","","Zhao, Ji-Chen; Yu, Shun-Ming; Liu, Yun; Yao, Zhu-Jun","Biomimetic Synthesis of ent-(-)-Azonazine and Stereochemical Reassignment of Natural Product.","Organic letters","2013","15","17","4300","4303","10.1021/ol4015706","","","1.54178","CuKα","","0.0332","0.0331","","","0.0905","0.0907","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512281","21.215","0.002","10.0689","0.0009","10.6637","0.0009","90","","96.454","0.006","90","","2263.5","0.4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C9 H11 B F3 N O4 -","- C9 H11 B F3 N O4 -","- C72 H88 B8 F24 N8 O32 -","8","4","","Duncton, Matthew A. J.; Singh, Rajinder","Synthesis of trans-2-(Trifluoromethyl)cyclopropanes via Suzuki Reactions with an N-Methyliminodiacetic Acid Boronate.","Organic letters","2013","15","17","4284","4287","10.1021/ol401636d","","","1.54178","CuKα","","0.0876","0.078","","","0.2116","0.2317","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512282","11.0236","0.0002","12.9544","0.0002","13.4366","0.0002","90","","90","","90","","1918.8","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Br Cl3 N2 O -","- C17 H18 Br Cl3 N2 O -","- C68 H72 Br4 Cl12 N8 O4 -","4","1","","Gregory, Alex W.; Jakubec, Pavol; Turner, Paul; Dixon, Darren J.","Gold and BINOL-Phosphoric Acid Catalyzed Enantioselective Hydroamination/N-Sulfonyliminium Cyclization Cascade.","Organic letters","2013","15","17","4330","4333","10.1021/ol401784h","","","0.71073","MoKα","","0.0374","0.0341","","0.0832","0.0808","0.0832","","","","","","1.0001","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512283","10.4507","0.0001","16.2752","0.0002","11.5043","0.0001","90","","101.09","0.0005","90","","1920.19","0.03","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 Br N2 O2 S -","- C21 H21 Br N2 O2 S -","- C84 H84 Br4 N8 O8 S4 -","4","2","","Gregory, Alex W.; Jakubec, Pavol; Turner, Paul; Dixon, Darren J.","Gold and BINOL-Phosphoric Acid Catalyzed Enantioselective Hydroamination/N-Sulfonyliminium Cyclization Cascade.","Organic letters","2013","15","17","4330","4333","10.1021/ol401784h","","","0.71073","MoKα","","0.0325","0.0286","","0.0635","0.0616","0.0635","","","","","","0.9896","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512284","12.7926","0.0003","18.5331","0.0006","29.8781","0.001","90","","90","","90","","7083.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 N5 O2 S -","- C35 H33.5 N5 O2 S -","- C280 H268 N40 O16 S8 -","8","2","","Yang, Zheng; Hao, Likai; Yin, Bing; She, Mengyao; Obst, Martin; Kappler, Andreas; Li, Jianli","Six-Membered Spirocycle Triggered Probe for Visualizing Hg(2+) in Living Cells and Bacteria-EPS-Mineral Aggregates.","Organic letters","2013","15","17","4334","4337","10.1021/ol401795m","","","1.54178","CuKα","","0.0877","0.0705","","","0.1985","0.2134","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512285","12.698","0.004","12.742","0.004","13.457","0.004","116.117","0.004","99.996","0.005","98.015","0.005","1867.1","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H68 Cl8 Hg4 N10 O4 S2 -","- C70 H68 Cl8 Hg4 N10 O4 S2 -","- C70 H68 Cl8 Hg4 N10 O4 S2 -","1","0.5","","Yang, Zheng; Hao, Likai; Yin, Bing; She, Mengyao; Obst, Martin; Kappler, Andreas; Li, Jianli","Six-Membered Spirocycle Triggered Probe for Visualizing Hg(2+) in Living Cells and Bacteria-EPS-Mineral Aggregates.","Organic letters","2013","15","17","4334","4337","10.1021/ol401795m","","","0.71073","MoKα","","0.1094","0.081","","","0.205","0.23","","","","","","1.172","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512286","6.0191","0.0005","10.9331","0.0007","13.1204","0.0008","90","","92.995","0.004","90","","862.24","0.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 O6 -","- C8 H10 O6 -","- C32 H40 O24 -","4","1","","Baran, Arif; Aydin, Gokay; Savran, Tahir; Sahin, Ertan; Balci, Metin","Trisequential photooxygenation reaction: application to the synthesis of carbasugars.","Organic letters","2013","15","17","4350","4353","10.1021/ol401823m","","","0.7107","MoKα","","0.0522","0.052","","","0.1309","0.131","","","","","","1.184","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512287","7.7832","0.0002","7.8499","0.0002","17.0819","0.0005","90","","102.016","0.001","90","","1020.79","0.05","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 O8 -","- C8 H18 O8 -","- C32 H72 O32 -","4","1","","Baran, Arif; Aydin, Gokay; Savran, Tahir; Sahin, Ertan; Balci, Metin","Trisequential photooxygenation reaction: application to the synthesis of carbasugars.","Organic letters","2013","15","17","4350","4353","10.1021/ol401823m","","","0.71073","MoKα","","0.0343","0.033","","","0.0905","0.0918","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512288","9.8323","0.0009","27.722","0.003","29.449","0.003","90","","90","","90","","8026.9","1.4","191","2","191","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C75 H10 N2 O S2 -","- C75 H10 N2 O S2 -","- C600 H80 N16 O8 S16 -","8","1","","Hou, Hui-Lei; Li, Zong-Jun; Li, Shu-Hui; Chen, Si; Gao, Xiang","Hydroxide-Initiated Conversion of Aromatic Nitriles to Imidazolines: Fullerenes vs TCNE","Organic Letters","2013","15","18","4646","","10.1021/ol401834j","","","0.71073","MoKα","","0.1386","0.0888","","","0.2367","0.2908","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512289","17.8362","0.0007","10.8377","0.0005","24.6817","0.0011","90","","97.891","0.001","90","","4725.9","0.4","191","2","191","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H17 N2 O S2 -","- C88 H17 N2 O S2 -","- C352 H68 N8 O4 S8 -","4","1","","Hou, Hui-Lei; Li, Zong-Jun; Li, Shu-Hui; Chen, Si; Gao, Xiang","Hydroxide-Initiated Conversion of Aromatic Nitriles to Imidazolines: Fullerenes vs TCNE","Organic Letters","2013","15","18","4646","","10.1021/ol401834j","","","0.71073","MoKα","","0.103","0.0754","","","0.2091","0.2349","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512290","17.562","0.003","10.9065","0.0016","12.1315","0.0017","90","","103.47","0.02","90","","2259.7","0.6","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Xing, Dong; Yang, Dan","Pd(II)-Catalyzed Intramolecular 1,2-Aminoalkylation of Conjugated 1,3-Dienes for the Synthesis of Pyrrolizidines.","Organic letters","2013","15","17","4370","4373","10.1021/ol401901h","","","0.71073","MoKα","","0.0862","0.0527","","","0.1346","0.1528","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512291","22.527","0.003","7.0801","0.001","13.7523","0.0018","90","","115.348","0.004","90","","1982.2","0.5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C88 H112 O16 -","8","1","","Wang, Cheng; Wang, Dan; Gao, Shuanhu","Total synthesis of cyanthiwigins a, C, g, and h.","Organic letters","2013","15","17","4402","4405","10.1021/ol4019425","","","0.71073","MoKα","","0.0625","0.0484","","","0.1239","0.1367","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512292","7.3896","0.0007","9.5633","0.0009","11.71","0.0011","110.666","0.003","106.674","0.003","95.546","0.003","723.42","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 O -","- C17 H22 O -","- C34 H44 O2 -","2","1","","Wang, Cheng; Wang, Dan; Gao, Shuanhu","Total synthesis of cyanthiwigins a, C, g, and h.","Organic letters","2013","15","17","4402","4405","10.1021/ol4019425","","","0.71073","MoKα","","0.1083","0.0693","","","0.1889","0.2243","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512293","17.3412","0.0009","17.7644","0.001","17.8268","0.0009","90","","115.702","0.002","90","","4948.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61.07 H54.94 Br2 N2 O4 -","- C61.076 H54.9428 Br2 N2 O4 -","- C244.304 H219.771 Br8 N8 O16 -","4","1","","Frischmann, Peter D.; Würthner, Frank","Synthesis of a Non-aggregating Bay-Unsubstituted Perylene Bisimide Dye with Latent Bromo Groups for C‒C Cross Coupling","Organic Letters","2013","15","18","4674","","10.1021/ol401946g","","","1.54178","CuKα","","0.0488","0.0393","","","0.0917","0.0983","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512294","10.4878","0.0009","13.5652","0.0012","18.2721","0.0015","90","","90","","90","","2599.6","0.4","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 N O6 S -","- C28 H29 N O6 S -","- C112 H116 N4 O24 S4 -","4","1","","Konno, Takashi; Watanabe, Sayo; Takahashi, Tatsuki; Tokoro, Yuichiro; Fukuzawa, Shin-Ichi","Silver/ThioClickFerrophos Complex as an Effective Catalyst for Asymmetric Conjugate Addition of Glycine Imino Ester to Unsaturated Malonates and α-Enones.","Organic letters","2013","15","17","4418","4421","10.1021/ol4019584","","","0.71075","MoKα","","","0.0552","","","","0.175","","","","","","0.834","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512295","8.678","0.0017","16.031","0.003","17.808","0.004","75.13","0.03","80.07","0.03","77.81","0.03","2322","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 F8 N8 O4 -","- C22 H12 F8 N8 O4 -","- C88 H48 F32 N32 O16 -","4","2","","Yang, Chi; Chen, Yin; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis of Electron-Deficient Oxacalix[2]arene[2]triazines and Their Isomeric Analogs from a One-Pot Reaction of Perfluorinated Dihydroxybenzenes with Dichlorotriazines.","Organic letters","2013","15","17","4414","4417","10.1021/ol401959d","","","0.71073","MoKα","","0.1611","0.1395","","","0.3594","0.3842","","","","","","2.334","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512296","7.1595","0.0014","8.7231","0.0017","9.277","0.0019","90.88","0.03","100.91","0.03","114.13","0.03","516.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H6 F8 N6 O6 -","- C20 H6 F8 N6 O6 -","- C20 H6 F8 N6 O6 -","1","0.5","","Yang, Chi; Chen, Yin; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis of Electron-Deficient Oxacalix[2]arene[2]triazines and Their Isomeric Analogs from a One-Pot Reaction of Perfluorinated Dihydroxybenzenes with Dichlorotriazines.","Organic letters","2013","15","17","4414","4417","10.1021/ol401959d","","","0.71073","MoKα","","0.0531","0.0472","","","0.1158","0.1202","","","","","","1.143","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512297","23.108","0.002","10.29","0.0007","15.5912","0.0014","90","","131.567","0.003","90","","2773.7","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 Cl4 F8 N6 O6 -","- C22 H10 Cl4 F8 N6 O6 -","- C88 H40 Cl16 F32 N24 O24 -","4","0.5","","Yang, Chi; Chen, Yin; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis of Electron-Deficient Oxacalix[2]arene[2]triazines and Their Isomeric Analogs from a One-Pot Reaction of Perfluorinated Dihydroxybenzenes with Dichlorotriazines.","Organic letters","2013","15","17","4414","4417","10.1021/ol401959d","","","0.71073","MoKα","","0.0564","0.056","","","0.1538","0.1543","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512298","8.3306","0.0017","13.589","0.003","19.417","0.004","92.7","0.03","94.67","0.03","97.19","0.03","2169.9","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H6 F8 N6 O6 -","- C20 H6 F8 N6 O6 -","- C80 H24 F32 N24 O24 -","4","2","","Yang, Chi; Chen, Yin; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis of Electron-Deficient Oxacalix[2]arene[2]triazines and Their Isomeric Analogs from a One-Pot Reaction of Perfluorinated Dihydroxybenzenes with Dichlorotriazines.","Organic letters","2013","15","17","4414","4417","10.1021/ol401959d","","","1.54178","CuKα","","0.0536","0.0381","","","0.0901","0.0942","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512299","20.591","0.002","20.591","0.002","18.738","0.004","90","","90","","90","","7945","2","200","2","200","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25 H22 N O2.5 -","- C25 H22 N O2.5 -","- C400 H352 N16 O40 -","16","1","","Somai Magar, Krishna Bahadur; Lee, Yong Rok","Synthesis of Diverse Indene Derivatives from 1-Diazonaphthalen-2(1H)-ones via Thermal Cascade Reactions.","Organic letters","2013","15","17","4288","4291","10.1021/ol4019908","","","0.71073","MoKα","","0.1712","0.0618","","","0.1621","0.2101","","","","","","0.936","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512300","11.3028","0.0002","6.4336","0.0002","23.8826","0.0005","90","","93.676","0.001","90","","1733.11","0.07","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C37 H56 O7 -","- C37 H56 O7 -","- C74 H112 O14 -","2","1","","Zhou, Min; Zhang, Hai-Bo; Wang, Wei-Guang; Gong, Ning-Bo; Zhan, Rui; Li, Xiao-Nian; Du, Xue; Li, Li-Mei; Li, Yan; Lu, Yang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusic Acid, a New Meroditerpenoid with a Unique Cyclobutane Ring Isolated from Isodon scoparius.","Organic letters","2013","15","17","4446","4449","10.1021/ol401991u","","","1.54178","CuKα","","0.0623","0.0527","","","0.1503","0.1608","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512301","6.819","0.003","7.317","0.005","19.999","0.01","90","","99.0959","0.001","90","","985.3","0.9","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H36 O4 -","- C21 H36 O4 -","- C42 H72 O8 -","2","1","","Zhou, Min; Zhang, Hai-Bo; Wang, Wei-Guang; Gong, Ning-Bo; Zhan, Rui; Li, Xiao-Nian; Du, Xue; Li, Li-Mei; Li, Yan; Lu, Yang; Pu, Jian-Xin; Sun, Han-Dong","Scopariusic Acid, a New Meroditerpenoid with a Unique Cyclobutane Ring Isolated from Isodon scoparius.","Organic letters","2013","15","17","4446","4449","10.1021/ol401991u","","","1.54178","CuKα","","0.0536","0.0463","","","0.1245","0.1319","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512302","9.308","0.002","11.131","0.002","17.312","0.004","90","","103.927","0.003","90","","1740.9","0.6","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 O P -","- C22 H17 O P -","- C88 H68 O4 P4 -","4","1","","Matano, Yoshihiro; Hayashi, Yukiko; Suda, Kayo; Kimura, Yoshifumi; Imahori, Hiroshi","Synthesis of 2-Alkenyl- and 2-Alkynyl-benzo[b]phospholes by Using Palladium-Catalyzed Cross-Coupling Reactions.","Organic letters","2013","15","17","4458","4461","10.1021/ol401994e","","","0.7107","MoKα","","0.047","0.0395","","","0.0914","0.0961","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512303","6.3504","0.0002","7.9511","0.0003","35.8818","0.0012","90","","94.457","0.002","90","","1806.29","0.11","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl O P -","- C22 H16 Cl O P -","- C88 H64 Cl4 O4 P4 -","4","1","","Matano, Yoshihiro; Hayashi, Yukiko; Suda, Kayo; Kimura, Yoshifumi; Imahori, Hiroshi","Synthesis of 2-Alkenyl- and 2-Alkynyl-benzo[b]phospholes by Using Palladium-Catalyzed Cross-Coupling Reactions.","Organic letters","2013","15","17","4458","4461","10.1021/ol401994e","","","0.7107","MoKα","","0.041","0.0381","","","0.0956","0.0978","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512304","8.3951","0.0013","8.9874","0.0013","25.691","0.004","90","","94.065","0.003","90","","1933.5","0.5","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 O P -","- C26 H19 O P -","- C104 H76 O4 P4 -","4","1","","Matano, Yoshihiro; Hayashi, Yukiko; Suda, Kayo; Kimura, Yoshifumi; Imahori, Hiroshi","Synthesis of 2-Alkenyl- and 2-Alkynyl-benzo[b]phospholes by Using Palladium-Catalyzed Cross-Coupling Reactions.","Organic letters","2013","15","17","4458","4461","10.1021/ol401994e","","","0.7107","MoKα","","0.0383","0.0368","","","0.0917","0.0929","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512305","7.9918","0.0008","18.1517","0.0017","11.7749","0.0012","90","","96.361","0.001","90","","1697.6","0.3","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 O P -","- C22 H15 O P -","- C88 H60 O4 P4 -","4","1","","Matano, Yoshihiro; Hayashi, Yukiko; Suda, Kayo; Kimura, Yoshifumi; Imahori, Hiroshi","Synthesis of 2-Alkenyl- and 2-Alkynyl-benzo[b]phospholes by Using Palladium-Catalyzed Cross-Coupling Reactions.","Organic letters","2013","15","17","4458","4461","10.1021/ol401994e","","","0.7107","MoKα","","0.0367","0.034","","","0.0929","0.0948","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512306","9.961","0.002","8.7326","0.0017","21.055","0.004","90","","102.507","0.003","90","","1788","0.6","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl O P -","- C22 H14 Cl O P -","- C88 H56 Cl4 O4 P4 -","4","1","","Matano, Yoshihiro; Hayashi, Yukiko; Suda, Kayo; Kimura, Yoshifumi; Imahori, Hiroshi","Synthesis of 2-Alkenyl- and 2-Alkynyl-benzo[b]phospholes by Using Palladium-Catalyzed Cross-Coupling Reactions.","Organic letters","2013","15","17","4458","4461","10.1021/ol401994e","","","0.7107","MoKα","","0.0371","0.0344","","","0.0912","0.0931","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512307","9.949","0.0004","25.4328","0.001","9.7167","0.0004","90","","96.727","0.004","90","","2441.7","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C128 H88 N16 -","4","1","","Leung, Man-kit; Hsieh, Yu-Hsuan; Kuo, Ting-Yi; Chou, Pi-Tai; Lee, Jiun-Haw; Chiu, Tien-Lung; Chen, Hsin-Jen","Novel Ambipolar Orthogonal Donor‒Acceptor Host for Blue Organic Light Emitting Diodes","Organic Letters","2013","15","18","4694","","10.1021/ol402001v","","","0.71073","MoKα","","0.058","0.0435","","","0.1061","0.117","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512308","9.2561","0.0007","12.3803","0.001","16.0866","0.0012","105.134","0.007","96.161","0.006","100.791","0.007","1724.1","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H31 N5 O -","- C44 H31 N5 O -","- C88 H62 N10 O2 -","2","1","","Leung, Man-kit; Hsieh, Yu-Hsuan; Kuo, Ting-Yi; Chou, Pi-Tai; Lee, Jiun-Haw; Chiu, Tien-Lung; Chen, Hsin-Jen","Novel Ambipolar Orthogonal Donor‒Acceptor Host for Blue Organic Light Emitting Diodes","Organic Letters","2013","15","18","4694","","10.1021/ol402001v","","","1.54178","CuKα","","0.1231","0.0814","","","0.2423","0.2848","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512309","22.3172","0.0009","27.4649","0.0009","15.9655","0.0009","90","","90","","90","","9785.9","0.8","295","2","295","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C44 H29 N5 -","- C44 H29 N5 -","- C528 H348 N60 -","12","","","Leung, Man-kit; Hsieh, Yu-Hsuan; Kuo, Ting-Yi; Chou, Pi-Tai; Lee, Jiun-Haw; Chiu, Tien-Lung; Chen, Hsin-Jen","Novel Ambipolar Orthogonal Donor‒Acceptor Host for Blue Organic Light Emitting Diodes","Organic Letters","2013","15","18","4694","","10.1021/ol402001v","","","1.54178","CuKα","","0.0405","0.0367","","","0.0981","0.1029","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512310","12.968","0.0004","13.2685","0.0004","19.4117","0.0006","105.621","0.0014","98.5106","0.0015","97.0837","0.0015","3134.27","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","LiC60CpHTFPB","[LiC60(C5H6)][B(C6H3(CF3)2)4]","","- C97 H18 B F24 Li -","- C97 H18 B F24 Li -","- C194 H36 B2 F48 Li2 -","2","1","","Kawakami, Hiroki; Okada, Hiroshi; Matsuo, Yutaka","Efficient diels-alder addition of cyclopentadiene to lithium ion encapsulated [60]fullerene.","Organic letters","2013","15","17","4466","4469","10.1021/ol4020046","","","1.54187","CuKα","","0.1844","0.0856","","","0.1959","0.2647","","","","","","1.243","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512311","10.65","0.002","11.278","0.002","8.8291","0.0018","90","","104.88","0.03","90","","1024.9","0.4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 O4 -","- C24 H30 O4 -","- C48 H60 O8 -","2","0.5","","Labarre-Lainé, Jessica; Beniazza, Redouane; Desvergnes, Valérie; Landais, Yannick","Convergent Access to Bis-spiroacetals through a Sila-Stetter‒Ketalization Cascade","Organic Letters","2013","15","18","4706","","10.1021/ol402017x","","","1.54178","CuKα","","0.1099","0.0892","","","0.2656","0.3184","","","","","","1.378","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512312","12.203","0.0003","15.6497","0.0003","14.7753","0.0003","90","","100.794","0.002","90","","2771.76","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Br N O6 -","- C29 H30 Br N O6 -","- C116 H120 Br4 N4 O24 -","4","1","","Ramachary, D. B.; Venkaiah, Chintalapudi; Krishna, Patoju M.","Stereoselective Synthesis of Five-Membered Spirooxindoles through Tomita Zipper Cyclization.","Organic letters","2013","15","18","4714","4717","10.1021/ol4020305","","","1.54184","CuKα","","0.095","0.0901","","","0.2342","0.239","","","","","","1.732","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512313","7.5903","0.0005","10.1053","0.0007","13.3797","0.0009","82.92","0.006","86.494","0.005","82.129","0.006","1007.81","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15.59 Cl N3 O3 -","- C23 H15.59 Cl N3 O3 -","- C46 H31.18 Cl2 N6 O6 -","2","1","","Ramachary, D. B.; Venkaiah, Chintalapudi; Krishna, Patoju M.","Stereoselective Synthesis of Five-Membered Spirooxindoles through Tomita Zipper Cyclization.","Organic letters","2013","15","18","4714","4717","10.1021/ol4020305","","","1.54184","CuKα","","0.0757","0.0695","","","0.1873","0.196","","","","","","0.704","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512314","6.504","0.0005","12.1956","0.0009","14.0644","0.0012","71.887","0.007","78.138","0.007","89.663","0.006","1035.64","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N3 O3 -","- C24 H23 N3 O3 -","- C48 H46 N6 O6 -","2","1","","Ramachary, D. B.; Venkaiah, Chintalapudi; Krishna, Patoju M.","Stereoselective Synthesis of Five-Membered Spirooxindoles through Tomita Zipper Cyclization.","Organic letters","2013","15","18","4714","4717","10.1021/ol4020305","","","1.54184","CuKα","","0.1063","0.0979","","","0.3161","0.3306","","","","","","1.457","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512315","9.1238","0.0005","9.0077","0.0005","22.5506","0.0013","90","","93.741","0.002","90","","1849.36","0.18","90","2","90.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N5 -","- C24 H17 N5 -","- C96 H68 N20 -","4","1","","Nguyen, Huy H.; Palazzo, Teresa A.; Kurth, Mark J.","Facile One-Pot Assembly of Imidazotriazolobenzodiazepines via Indium(III)-Catalyzed Multicomponent Reactions.","Organic letters","2013","15","17","4492","4495","10.1021/ol402045h","","","1.54178","CuKα","","0.0376","0.034","","","0.0929","0.1049","","","","","","1.148","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512316","12.7231","0.0006","18.9237","0.0008","19.2705","0.0008","66.042","0.004","71.703","0.004","73.615","0.004","3961.2","0.3","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H104 F12 N2 O20 P2 -","- C77 H104 F12 N2 O20 P2 -","- C154 H208 F24 N4 O40 P4 -","2","1","","Chi, Xiaodong; Xue, Min; Yao, Yong; Huang, Feihe","Redox-Responsive Complexation between a Pillar[5]arene with Mono(ethylene oxide) Substituents and Paraquat","Organic Letters","2013","15","18","4722","","10.1021/ol402048n","","","1.54184","CuKα","","0.0565","0.044","","","0.1066","0.1163","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512317","14.1091","0.0004","15.1076","0.0005","17.2194","0.0005","97.099","0.003","92.419","0.002","95.634","0.002","3619.17","0.19","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H90 O20 -","- C65 H90 O20 -","- C130 H180 O40 -","2","1","","Chi, Xiaodong; Xue, Min; Yao, Yong; Huang, Feihe","Redox-Responsive Complexation between a Pillar[5]arene with Mono(ethylene oxide) Substituents and Paraquat","Organic Letters","2013","15","18","4722","","10.1021/ol402048n","","","1.54184","CuKα","","0.1111","0.0911","","","0.273","0.3029","","","","","","1.139","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512318","9.309","0.007","11.395","0.009","15.008","0.011","108.365","0.015","105.407","0.015","96.871","0.016","1420.2","1.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O7 -","- C31 H29 N O7 -","- C62 H58 N2 O14 -","2","1","","Rivero, Alexandra R.; Fernández, Israel; Sierra, Miguel Ángel","Regio- and Diastereoselective Stepwise [8 + 3]-Cycloaddition Reaction between Tropone Derivatives and Donor-Acceptor Cyclopropanes.","Organic letters","2013","15","19","4928","4931","10.1021/ol4020656","","","0.71073","MoKα","","0.2354","0.0702","","","0.1409","0.1736","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512319","9.679","0.005","11.267","0.005","16.238","0.008","88.734","0.009","76.453","0.01","80.102","0.011","1695.6","1.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H34 N2 O12 -","- C34 H34 N2 O12 -","- C68 H68 N4 O24 -","2","1","","Rivero, Alexandra R.; Fernández, Israel; Sierra, Miguel Ángel","Regio- and Diastereoselective Stepwise [8 + 3]-Cycloaddition Reaction between Tropone Derivatives and Donor-Acceptor Cyclopropanes.","Organic letters","2013","15","19","4928","4931","10.1021/ol4020656","","","0.71073","MoKα","","0.2468","0.0765","","","0.1771","0.211","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512320","10.3946","0.0008","19.3743","0.0012","12.6676","0.0008","90","","98.403","0.004","90","","2523.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 F3 N O4 S -","- C27 H22 F3 N O4 S -","- C108 H88 F12 N4 O16 S4 -","4","1","","Xin, Xiaoyi; Wang, Dongping; Wu, Fan; Wang, Chunxiang; Wang, Haolong; Li, Xincheng; Wan, Boshun","Synthesis of Polyfluoroalkyl Cyclobutenes from 3-Aza-1,5-enynes via an Aza-Claisen Rearrangement/Cyclization Cascade.","Organic letters","2013","15","17","4512","4515","10.1021/ol4020738","","","0.71073","MoKα","","0.1092","0.0685","","","0.2158","0.2469","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512321","8.6095","0.0018","31.705","0.006","27.597","0.005","90","","92.899","0.003","90","","7523","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 F3 N O4 S -","- C27 H22 F3 N O4 S -","- C324 H264 F36 N12 O48 S12 -","12","3","","Xin, Xiaoyi; Wang, Dongping; Wu, Fan; Wang, Chunxiang; Wang, Haolong; Li, Xincheng; Wan, Boshun","Synthesis of Polyfluoroalkyl Cyclobutenes from 3-Aza-1,5-enynes via an Aza-Claisen Rearrangement/Cyclization Cascade.","Organic letters","2013","15","17","4512","4515","10.1021/ol4020738","","","0.71073","MoKα","","0.0895","0.0554","","","0.1364","0.1482","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512322","8.6762","0.0019","14.417","0.003","21.577","0.006","77.868","0.015","82.34","0.018","88.336","0.016","2615.1","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H21 Cl F3 N O4 S -","- C27 H21 Cl F3 N O4 S -","- C108 H84 Cl4 F12 N4 O16 S4 -","4","2","","Xin, Xiaoyi; Wang, Dongping; Wu, Fan; Wang, Chunxiang; Wang, Haolong; Li, Xincheng; Wan, Boshun","Synthesis of Polyfluoroalkyl Cyclobutenes from 3-Aza-1,5-enynes via an Aza-Claisen Rearrangement/Cyclization Cascade.","Organic letters","2013","15","17","4512","4515","10.1021/ol4020738","","","0.71073","MoKα","","0.1387","0.0528","","","0.0644","0.0742","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512323","6.3054","0.0003","9.0002","0.0004","20.798","0.0009","97.215","0.004","92.994","0.004","98.644","0.004","1154.59","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H25 N2 O10.5 -","- C22 H25 N2 O10.5 -","- C44 H50 N4 O21 -","2","2","","Granda, Jarosław M.; Jurczak, Janusz","Sweet Anion Receptors: Recognition of Chiral Carboxylate Anions byd-Glucuronic-Acid-Decorated Diindolylmethane","Organic Letters","2013","15","18","4730","","10.1021/ol402074u","","","0.71073","MoKα","","0.0448","0.0341","","","0.0722","0.0771","","","","","","0.994","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512324","15.558","0.003","8.9431","0.0016","15.559","0.003","90","","91.684","0.003","90","","2163.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br N O5 -","- C23 H22 Br N O5 -","- C92 H88 Br4 N4 O20 -","4","1","","Wu, Wenbin; Yuan, Xiaoqian; Hu, Juan; Wu, Xinxin; Wei, Yuan; Liu, Zunwu; Lu, Junzhu; Ye, Jinxing","Catalytic Asymmetric Construction of Chiral Hydropyridazines via Conjugate Addition of N-Monosubstituted Hydrazones to Enones.","Organic letters","2013","15","17","4524","4527","10.1021/ol4020865","","","0.71073","MoKα","","0.0759","0.0452","","","0.1176","0.1336","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512325","7.9542","0.0008","9.0517","0.0009","20.6317","0.0019","97.089","0.002","93.196","0.002","111.877","0.002","1359.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H28 Cl3 N5 O3 S -","- C23 H28 Cl3 N5 O3 S -","- C46 H56 Cl6 N10 O6 S2 -","2","1","","Wu, Wenbin; Yuan, Xiaoqian; Hu, Juan; Wu, Xinxin; Wei, Yuan; Liu, Zunwu; Lu, Junzhu; Ye, Jinxing","Catalytic Asymmetric Construction of Chiral Hydropyridazines via Conjugate Addition of N-Monosubstituted Hydrazones to Enones.","Organic letters","2013","15","17","4524","4527","10.1021/ol4020865","","","0.71073","MoKα","","0.0816","0.071","","","0.2147","0.2314","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512326","18.664","0.002","8.2652","0.0009","12.1851","0.0013","90","","97.374","0.002","90","","1864.1","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Wu, Wenbin; Yuan, Xiaoqian; Hu, Juan; Wu, Xinxin; Wei, Yuan; Liu, Zunwu; Lu, Junzhu; Ye, Jinxing","Catalytic Asymmetric Construction of Chiral Hydropyridazines via Conjugate Addition of N-Monosubstituted Hydrazones to Enones.","Organic letters","2013","15","17","4524","4527","10.1021/ol4020865","","","0.71073","MoKα","","0.0474","0.0384","","","0.0976","0.1043","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512327","7.3334","0.0009","9.7725","0.0012","10.3443","0.0012","67.448","0.002","76.539","0.002","79.385","0.002","662.11","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C28 H34 N6 O6 -","2","1","","Wu, Wenbin; Yuan, Xiaoqian; Hu, Juan; Wu, Xinxin; Wei, Yuan; Liu, Zunwu; Lu, Junzhu; Ye, Jinxing","Catalytic Asymmetric Construction of Chiral Hydropyridazines via Conjugate Addition of N-Monosubstituted Hydrazones to Enones.","Organic letters","2013","15","17","4524","4527","10.1021/ol4020865","","","0.71073","MoKα","","0.0569","0.0485","","","0.1281","0.1351","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512328","14.746","0.0008","14.2862","0.0008","11.1084","0.0005","90","","107.787","0.002","90","","2228.3","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N4 O -","- C24 H34 N4 O -","- C96 H136 N16 O4 -","4","1","","Zhang, Bo; Studer, Armido","Stereoselective radical azidooxygenation of alkenes.","Organic letters","2013","15","17","4548","4551","10.1021/ol402106x","","","1.54178","CuKα","","0.0997","0.0512","","","0.1111","0.1328","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512329","5.72","0.008","11.095","0.018","15.48","0.03","83.6","0.08","88.96","0.07","80.16","0.05","962","3","273","2","273","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H24 Br N3 O4 -","- C18 H24 Br N3 O4 -","- C36 H48 Br2 N6 O8 -","2","2","","Li, Dong Bo; Rogers-Evans, Mark; Carreira, Erick M.","Construction of Multifunctional Modules for Drug Discovery: Synthesis of Novel Thia/Oxa-Azaspiro[3.4]octanes.","Organic letters","2013","15","18","4766","4769","10.1021/ol402127b","","","1.54178","CuKα","","0.0776","0.0621","","","0.1639","0.1737","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512330","5.493","0.002","20.6","0.008","15.806","0.006","90","","97.051","0.009","90","","1775","1.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N O2 -","- C19 H27 N O2 -","- C76 H108 N4 O8 -","4","1","","Nash, Aaron; Soheili, Arash; Tambar, Uttam K.","Stereoselective Synthesis of Functionalized Cyclic Amino Acid Derivatives via a [2,3]-Stevens Rearrangement and Ring-Closing Metathesis","Organic Letters","2013","15","18","4770","","10.1021/ol402129h","","","0.71075","MoKα","","0.2791","0.1003","","","0.1975","0.2852","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512331","17.591","0.004","7.9204","0.0017","18.104","0.003","90","","104.474","0.017","90","","2442.3","0.9","153","2","153","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C26 H37 N2 O3.5 S -","- C26 H37 N2 O3.5 S -","- C104 H148 N8 O14 S4 -","4","1","","Nash, Aaron; Soheili, Arash; Tambar, Uttam K.","Stereoselective Synthesis of Functionalized Cyclic Amino Acid Derivatives via a [2,3]-Stevens Rearrangement and Ring-Closing Metathesis","Organic Letters","2013","15","18","4770","","10.1021/ol402129h","","","0.71075","MoKα","","0.0688","0.0567","","","0.1226","0.1306","","","","","","1.065","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512332","9.6564","0.0003","8.3932","0.0002","9.8414","0.0003","90","","102.188","0.003","90","","779.65","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","Voatinggine","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","","Nge, Choy-Eng; Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Voatinggine and Tabertinggine, Pentacyclic Indole Alkaloids Derived from an Iboga Precursor via a Common Cleavamine-Type Intermediate","Organic Letters","2013","15","18","4774","","10.1021/ol4021404","","","1.54184","CuKα","","0.0376","0.0373","","","0.1061","0.1064","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512333","6.7462","0.0002","9.3007","0.0003","32.0517","0.0009","90","","90","","90","","2011.06","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tabertinggine","","","- C20 H23 Cl3 N2 O2 -","- C20 H23 Cl3 N2 O2 -","- C80 H92 Cl12 N8 O8 -","4","1","","Nge, Choy-Eng; Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok","Voatinggine and Tabertinggine, Pentacyclic Indole Alkaloids Derived from an Iboga Precursor via a Common Cleavamine-Type Intermediate","Organic Letters","2013","15","18","4774","","10.1021/ol4021404","","","0.71073","MoKα","","0.0945","0.0588","","","0.1092","0.1228","","","","","","0.951","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512334","10.029","0.002","10.377","0.002","12.246","0.003","90","","104.183","0.002","90","","1235.6","0.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N O6 S2 -","- C27 H23 N O6 S2 -","- C54 H46 N2 O12 S4 -","2","1","","Wang, Quan-Gang; Zhou, Qing-Qing; Deng, Jin-Gen; Chen, Ying-Chun","An Asymmetric Allylic Alkylation‒Smiles Rearrangement‒Sulfinate Addition Sequence to Construct Chiral Cyclic Sulfones","Organic Letters","2013","15","18","4786","","10.1021/ol402158u","","","0.71073","MoKα","","0.0456","0.0395","","","0.0746","0.0778","","","","","","1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1512335","7.731","0.0015","7.195","0.003","10.886","0.004","90","","104.56","0.02","90","","586.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H9 Br F3 N -","- C13 H9 Br F3 N -","- C26 H18 Br2 F6 N2 -","2","0.5","","Wang, Yong; Chen, Chao; Zhang, Shu; Lou, Zhenbang; Su, Xiang; Wen, Lirong; Li, Ming","A Concise Construction of Polycyclic Quinolines via Annulation of ω-Cyano-1-alkynes with Diaryliodonium Salts","Organic Letters","2013","15","18","4794","","10.1021/ol402164s","","","0.71073","MoKα","","0.0392","0.0334","","","0.0773","0.0821","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512336","9.8028","0.0005","17.9436","0.0009","14.8057","0.0007","90","","108.059","0.002","90","","2476","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DM02-187","sarpong42","","- C26 H34 N2 O6 -","- C26 H34 N2 O6 -","- C104 H136 N8 O24 -","4","1","","Mundal, Devon A.; Sarpong, Richmond","Synthetic Studies toward the Citrinadin A and B Core Architecture.","Organic letters","2013","15","19","4952","4955","10.1021/ol402177a","","","1.54178","CuKα","","0.0342","0.0335","","","0.0844","0.085","","","","","","1.044","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1512337","10.8816","0.0007","12.2655","0.0008","18.867","0.0012","94.346","0.003","106.589","0.002","102.455","0.003","2331","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","DM02-176B","sarpong40","","- C26 H34 N2 O5 -","- C26 H34 N2 O5 -","- C104 H136 N8 O20 -","4","2","","Mundal, Devon A.; Sarpong, Richmond","Synthetic Studies toward the Citrinadin A and B Core Architecture.","Organic letters","2013","15","19","4952","4955","10.1021/ol402177a","","","1.54178","CuKα","","0.0447","0.0408","","","0.1075","0.111","","","","","","1.036","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1512338","15.0275","0.0006","6.8288","0.0003","22.94","0.0009","90","","90.555","0.002","90","","2353.99","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DM02-46","sarpong35","","- C26 H32 N2 O5 -","- C26 H32 N2 O5 -","- C104 H128 N8 O20 -","4","1","","Mundal, Devon A.; Sarpong, Richmond","Synthetic Studies toward the Citrinadin A and B Core Architecture.","Organic letters","2013","15","19","4952","4955","10.1021/ol402177a","","","1.54178","CuKα","","0.0354","0.0327","","","0.0813","0.0835","","","","","","1.015","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1512339","7.9222","0.0004","9.853","0.0004","20.0514","0.001","90","","92.404","0.002","90","","1563.78","0.13","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H45 N O5 S Si -","- C29 H45 N O5 S Si -","- C58 H90 N2 O10 S2 Si2 -","2","1","","Williams, Brett D.; Smith, 3rd, Amos B","Total Synthesis of (+)-18-epi-Latrunculol A.","Organic letters","2013","15","17","4584","4587","10.1021/ol4021892","","","0.71073","MoKα","","0.0453","0.0413","","","0.1108","0.1146","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512340","12.1342","0.0007","12.8992","0.0007","22.5938","0.0013","90","","90","","90","","3536.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 N O8 Se -","- C36 H51 N O8 Se -","- C144 H204 N4 O32 Se4 -","4","1","","Gui, Jinghan; Tian, Hailong; Tian, Weisheng","Synthesis of glaucogenin d, a structurally unique disecopregnane steroid with potential antiviral activity.","Organic letters","2013","15","18","4802","4805","10.1021/ol402193b","","","0.71073","MoKα","","0.0678","0.0506","","","0.1226","0.1318","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512341","11.319","0.0004","9.278","0.0004","18.4667","0.0007","90","","94.237","0.003","90","","1934.03","0.13","291","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O2 -","- C23 H25 N O2 -","- C92 H100 N4 O8 -","4","1","","Liu, Xianglei; Ma, Xinna; Huang, Yunze; Gu, Zhenhua","Pd-Catalyzed Heck-Type Cascade Reactions withN-Tosyl Hydrazones: An Efficient Way to Alkenes via in Situ Generated Alkylpalladium","Organic Letters","2013","15","18","4814","","10.1021/ol402210a","","","1.5418","CuKα","","0.1065","0.0908","","","0.1716","0.1808","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512342","9.4301","0.0014","6.9967","0.0011","18.692","0.003","90","","96.925","0.002","90","","1224.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Gou, Quan; Deng, Bin; Zhang, Hongbin; Qin, Jun","Arylations of Substituted Enamides by Aryl Iodides: Regio- and Stereoselective Synthesis of (Z)-β-Amido-β-Arylacrylates.","Organic letters","2013","15","17","4604","4607","10.1021/ol402215f","","","0.71073","MoKα","","0.0909","0.0493","","","0.1116","0.1301","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512343","9.5053","0.0011","14.4803","0.0018","9.8588","0.0012","90","","108.461","0.001","90","","1287.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Gou, Quan; Deng, Bin; Zhang, Hongbin; Qin, Jun","Arylations of Substituted Enamides by Aryl Iodides: Regio- and Stereoselective Synthesis of (Z)-β-Amido-β-Arylacrylates.","Organic letters","2013","15","17","4604","4607","10.1021/ol402215f","","","0.71073","MoKα","","0.066","0.0453","","","0.1348","0.1586","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512344","8.9371","0.0012","12.7168","0.0017","20.942","0.003","90","","90","","90","","2380.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 F N O3 -","- C12 H12 F N O3 -","- C96 H96 F8 N8 O24 -","8","2","","Gou, Quan; Deng, Bin; Zhang, Hongbin; Qin, Jun","Arylations of Substituted Enamides by Aryl Iodides: Regio- and Stereoselective Synthesis of (Z)-β-Amido-β-Arylacrylates.","Organic letters","2013","15","17","4604","4607","10.1021/ol402215f","","","0.71073","MoKα","","0.0913","0.047","","","0.1038","0.1264","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512345","8.05","0.005","9.761","0.007","11.482","0.007","76.232","0.011","86.614","0.012","78.203","0.012","857.7","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C40 H38 N6 O6 -","2","1","","Zhang, Zhi-Jing; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui","Cu(TFA)2-Catalyzed Oxidative Tandem Cyclization/1,2-Alkyl Migration of Enamino Amides for Synthesis of Pyrrolin-4-ones","Organic Letters","2013","15","18","4822","","10.1021/ol4022222","","","0.71073","MoKα","","0.1014","0.0593","","","0.1493","0.1814","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512346","6.4311","0.0002","10.2155","0.0003","14.4708","0.0005","90","","90.972","0.001","90","","950.55","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","13100a","","","- C21 H24 Br N O3 -","- C21 H24 Br N O3 -","- C42 H48 Br2 N2 O6 -","2","1","","Fang, Li-Chao; Hsung, Richard P.; Ma, Zhi-Xiong; Presser, William R.","A Highly Stereoselective Diels‒Alder Cycloaddition of Enones with Chiral Cyclic 2-Amidodienes Derived from Allenamides","Organic Letters","2013","15","18","4842","","10.1021/ol402254p","","","1.54178","CuKα","","0.0187","0.0187","","","0.0489","0.049","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512347","8.7711","0.0003","11.3886","0.0003","20.3871","0.0006","90","","90","","90","","2036.48","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","13113a","","","- C26 H27 N O3 -","- C26 H27 N O3 -","- C104 H108 N4 O12 -","4","1","","Fang, Li-Chao; Hsung, Richard P.; Ma, Zhi-Xiong; Presser, William R.","A Highly Stereoselective Diels‒Alder Cycloaddition of Enones with Chiral Cyclic 2-Amidodienes Derived from Allenamides","Organic Letters","2013","15","18","4842","","10.1021/ol402254p","","","1.54178","CuKα","","0.0267","0.0255","","","0.0623","0.063","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512348","11.3046","0.0007","26.6589","0.0016","6.2333","0.0004","90","","90","","90","","1878.5","0.2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","130125a","","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Fang, Li-Chao; Hsung, Richard P.; Ma, Zhi-Xiong; Presser, William R.","A Highly Stereoselective Diels‒Alder Cycloaddition of Enones with Chiral Cyclic 2-Amidodienes Derived from Allenamides","Organic Letters","2013","15","18","4842","","10.1021/ol402254p","","","1.54178","CuKα","","0.0339","0.0302","","","0.0702","0.0723","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512349","10.218","0.0007","17.627","0.0013","18.0314","0.0013","90","","97.932","0.002","90","","3216.6","0.4","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C144 H144 N16 O32 -","8","2","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0961","0.0518","","","0.1407","0.1677","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512350","8.4406","0.0009","10.2459","0.0011","10.6103","0.0008","66.366","0.009","80.901","0.007","74.929","0.009","810.21","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C38 H40 N4 O8 -","2","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0597","0.0446","","","0.1001","0.1095","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512351","8.2315","0.0006","10.0246","0.0007","10.7097","0.0007","115.321","0.007","94.926","0.006","105.247","0.006","750.52","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O3 -","- C18 H18 N2 O3 -","- C36 H36 N4 O6 -","2","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0525","0.0422","","","0.099","0.1061","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512352","9.2372","0.0007","9.6199","0.0014","10.3333","0.0014","83.624","0.012","76.161","0.009","82.285","0.009","880.52","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O4 -","- C20 H21 N3 O4 -","- C40 H42 N6 O8 -","2","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0745","0.0564","","","0.1344","0.1472","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512353","8.2451","0.0004","9.8764","0.0005","10.1747","0.0005","99.779","0.004","110.657","0.004","106.935","0.004","706.43","0.07","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.1025","0.052","","","0.1107","0.1195","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512354","11.3182","0.0009","15.2662","0.0012","16.9741","0.0013","90","","90","","90","","2932.9","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C144 H144 N16 O16 -","8","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0461","0.0388","","","0.1105","0.1195","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512355","9.8799","0.0004","11.9219","0.0004","13.6695","0.0005","90","","91.371","0.003","90","","1609.63","0.1","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0715","0.0415","","","0.095","0.1008","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512356","12.358","0.0005","11.8372","0.0005","22.9929","0.0012","90","","90","","90","","3363.5","0.3","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C152 H136 N24 O32 -","8","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0903","0.0517","","","0.1092","0.1284","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512357","8.9628","0.0007","9.443","0.0007","10.9622","0.0007","71.501","0.002","81.59","0.002","80.26","0.003","862.91","0.11","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C40 H42 N6 O6 -","2","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0822","0.0706","","","0.1909","0.2127","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512358","7.3993","0.0004","9.5965","0.0004","28.1164","0.0017","90","","95.021","0.004","90","","1988.81","0.18","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H21 N3 O -","- C28 H21 N3 O -","- C112 H84 N12 O4 -","4","1","","Lin, Wen-Chung; Yang, Ding-Yah","Visible Light Photoredox Catalysis: Synthesis of Indazolo[2,3-a]quinolines from 2-(2-Nitrophenyl)-1,2,3,4-tetrahydroquinolines","Organic Letters","2013","15","18","4862","","10.1021/ol402286d","","x-ray","0.71073","MoKα","","0.0688","0.0493","","","0.1097","0.1199","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512359","15.8305","0.001","15.8305","0.001","4.1963","0.0006","90","","90","","120","","910.72","0.15","305","2","305","2","","","","","","","","4","P 32","P 32","145","","","","- C42 H34 Br3 O6 -","- C42 H33 Br3 O6 -","- C42 H33 Br3 O6 -","1","0.333333","","Wang, Zi-Yu; Wong, Wing-Tak; Yang, Dan","Organocatalyzed Asymmetric Synthesis of Dihydrodibenzofurans Based on a Dienamine Process.","Organic letters","2013","15","19","4980","4983","10.1021/ol402288y","","","0.71073","MoKα","","0.0713","0.065","","","0.1944","0.1977","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512360","16.857","0.005","7.886","0.002","15.702","0.005","90","","100.977","0.005","90","","2049.1","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Br O4 S -","- C23 H21 Br O4 S -","- C92 H84 Br4 O16 S4 -","4","1","","Zheng, Jie; Huang, You; Li, Zhengming","Phosphine-Catalyzed Domino Benzannulation: An Efficient Method to Construct Biaryl Skeletons.","Organic letters","2013","15","19","5064","5067","10.1021/ol4022904","","","0.71073","MoKα","","0.0518","0.0396","","","0.0765","0.0821","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512361","21.3728","0.0011","10.8964","0.0006","25.8063","0.0016","90","","90.764","0.005","90","","6009.4","0.6","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H57 F12 N3 O14 P2 -","- C51 H57 F12 N3 O14 P2 -","- C204 H228 F48 N12 O56 P8 -","4","1","","Li, Jinying; Wei, Peifa; Wu, Xiujuan; Xue, Min; Yan, Xuzhou","Three Protocols for the Formation of a [3]Pseudorotaxane via Orthogonal Cryptand-Based Host-Guest Recognition and Coordination-Driven Self-Assembly.","Organic letters","2013","15","19","4984","4987","10.1021/ol402294q","","","0.71073","MoKα","","0.1272","0.0918","","","0.2672","0.2939","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512362","11.246","0.002","11.452","0.002","12.825","0.004","98.268","0.003","97.479","0.003","117.011","0.002","1420","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N4 O4 S -","- C31 H27 N4 O4 S -","- C62 H54 N8 O8 S2 -","2","1","","Zhu, Gongming; Sun, Wangsheng; Wu, Chongyang; Li, Guofeng; Hong, Liang; Wang, Rui","Base-Catalyzed Diastereoselective [3 + 3] Annulation of 3-Isothiocyanatooxindoles and Azomethine Imines.","Organic letters","2013","15","19","4988","4991","10.1021/ol402295m","","","0.71073","MoKα","","0.087","0.0574","","","0.1621","0.1925","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512363","9.6557","0.0005","9.9912","0.0005","10.3757","0.0005","67.275","0.005","67.328","0.005","71.186","0.005","834.01","0.08","203","","203","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 N2 O2 S -","- C16 H24 N2 O2 S -","- C32 H48 N4 O4 S2 -","2","1","","Cordes, Jens; Murray, Philip R. D.; White, Andrew J. P.; Barrett, Anthony G. M.","1,7-Diazaspiro[5.5]undecane - A Neglected Heterocycle.","Organic letters","2013","15","19","4992","4995","10.1021/ol402301g","","","1.54184","CuKα","","0.0459","0.0404","","","0.1092","0.1137","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512364","8.0895","0.0003","10.0087","0.0003","15.3162","0.0005","90","","103.252","0.003","90","","1207.06","0.07","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N3 O3 S -","- C10 H17 N3 O3 S -","- C40 H68 N12 O12 S4 -","4","1","","Cordes, Jens; Murray, Philip R. D.; White, Andrew J. P.; Barrett, Anthony G. M.","1,7-Diazaspiro[5.5]undecane - A Neglected Heterocycle.","Organic letters","2013","15","19","4992","4995","10.1021/ol402301g","","","0.71073","MoKα","","0.0398","0.0325","","","0.0777","0.0813","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512365","45.361","0.0007","45.361","0.0007","11.08652","0.00017","90","","90","","120","","19755.6","0.5","173","","173","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C46.5 H51.17 Cl4 N2 P2 Ru -","- C46 H50 Cl4 N2 P2 Ru -","- C828 H900 Cl72 N36 P36 Ru18 -","18","1","","Cordes, Jens; Murray, Philip R. D.; White, Andrew J. P.; Barrett, Anthony G. M.","1,7-Diazaspiro[5.5]undecane - A Neglected Heterocycle.","Organic letters","2013","15","19","4992","4995","10.1021/ol402301g","","","0.71073","MoKα","","0.0374","0.0308","","","0.0774","0.0809","","","","","","1.062","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512366","18.68118","0.00013","18.68118","0.00013","11.51988","0.00009","90","","90","","120","","3481.67","0.04","173","","173","","","","","","","","","5","P -3","-P 3","147","","","","- C47 H58.33 Cu2 N4 O8 -","- C46 H56 Cu2 N4 O8 -","- C138 H168 Cu6 N12 O24 -","3","0.5","","Cordes, Jens; Murray, Philip R. D.; White, Andrew J. P.; Barrett, Anthony G. M.","1,7-Diazaspiro[5.5]undecane - A Neglected Heterocycle.","Organic letters","2013","15","19","4992","4995","10.1021/ol402301g","","","1.54184","CuKα","","0.0455","0.0377","","","0.0965","0.102","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512367","10.504","0.003","10.554","0.003","11.201","0.003","67.406","0.018","73.018","0.016","82.661","0.018","1096.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 I N2 O2 -","- C24 H19 I N2 O2 -","- C48 H38 I2 N4 O4 -","2","1","","Bharathiraja, Ganesan; Sakthivel, Sekarpandi; Sengoden, Mani; Punniyamurthy, Tharmalingam","A Novel Tandem Sequence to Pyrrole Syntheses by 5-endo-dig Cyclization of 1,3-Enynes with Amines.","Organic letters","2013","15","19","4996","4999","10.1021/ol402305b","","","0.71073","MoKα","","0.0454","0.0313","","","0.079","0.0883","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512368","13.0629","0.0003","11.4911","0.0004","14.3136","0.0005","90","","101.608","0.002","90","","2104.63","0.12","150","2","150","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","Mattson 1963","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C88 H96 N16 O24 -","8","1","","Nickerson, David M.; Angeles, Veronica V.; Mattson, Anita E.","Urea Activation of Nitrimines: A Mild, Metal-Free Approach to Sterically Hindered Enamines.","Organic letters","2013","15","19","5000","5003","10.1021/ol402310b","","x-ray","0.71073","MoKα","","0.0587","0.0422","","","0.1034","0.1127","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512369","6.0997","0.0018","14.647","0.004","27.856","0.007","90","","99.72","0.008","90","","2453","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 N O2 S -","- C31 H29 N O2 S -","- C124 H116 N4 O8 S4 -","4","1","","Race, Nicholas J.; Bower, John F.","Palladium catalyzed cyclizations of oxime esters with 1,2-disubstituted alkenes: synthesis of dihydropyrroles.","Organic letters","2013","15","17","4616","4619","10.1021/ol4023112","","","1.54178","CuKα","","0.2275","0.1275","","","0.2853","0.3513","","","","","","1.162","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512370","31.489","0.002","7.4022","0.0005","6.4814","0.0005","90","","100.894","0.005","90","","1483.51","0.18","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Race, Nicholas J.; Bower, John F.","Palladium catalyzed cyclizations of oxime esters with 1,2-disubstituted alkenes: synthesis of dihydropyrroles.","Organic letters","2013","15","17","4616","4619","10.1021/ol4023112","","","0.71073","MoKα","","0.0411","0.0336","","","0.0817","0.0852","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512371","17.1022","0.0007","7.4395","0.0003","20.7424","0.001","90","","98.282","0.004","90","","2611.6","0.2","295.4","0.4","295.4","0.4","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N -","- C17 H15 N -","- C136 H120 N8 -","8","2","","Yan, Rulong; Liu, Xingxing; Pan, Congming; Zhou, Xiaoqiang; Li, Xiaoni; Kang, Xing; Huang, Guosheng","Aerobic Synthesis of Substituted Quinoline from Aldehyde and Aniline: Copper-Catalyzed Intermolecular C‒H Active and C‒C Formative Cyclization","Organic Letters","2013","15","18","4876","","10.1021/ol402312h","","","0.7107","MoKα","","0.1072","0.0643","","","0.183","0.2133","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512372","7.8897","0.0009","20.511","0.003","21.318","0.003","90","","90","","90","","3449.8","0.8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H16 Cl N O -","- C22 H16 Cl N O -","- C176 H128 Cl8 N8 O8 -","8","1","","Bhunia, Anup; Porwal, Digvijay; Gonnade, Rajesh G.; Biju, Akkattu T.","Multicomponent reactions involving arynes, quinolines, and aldehydes.","Organic letters","2013","15","17","4620","4623","10.1021/ol4023134","","","0.71073","MoKα","","0.093","0.0473","","","0.1324","0.1626","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512373","11.9649","0.001","5.9267","0.0005","17.3226","0.0014","90","","105.988","0.002","90","","1180.87","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H19 F6 O4 P S -","- C23 H19 F6 O4 P S -","- C46 H38 F12 O8 P2 S2 -","2","1","","Lu, Junzhu; Ye, Jinxing; Duan, Wei-Liang","Palladium-Catalyzed Asymmetric Addition of Diarylphosphines to α,β-Unsaturated Sulfonic Esters for the Synthesis of Chiral Phosphine Sulfonate Compounds.","Organic letters","2013","15","19","5016","5019","10.1021/ol402351c","","","0.71073","MoKα","","0.0672","0.0526","","","0.1335","0.1448","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512374","10.0213","0.0011","9.8951","0.0011","13.7604","0.0015","90","","98.053","0.002","90","","1351.1","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H30 N O3 P Pd S -","- C29 H30 N O3 P Pd S -","- C58 H60 N2 O6 P2 Pd2 S2 -","2","1","","Lu, Junzhu; Ye, Jinxing; Duan, Wei-Liang","Palladium-Catalyzed Asymmetric Addition of Diarylphosphines to α,β-Unsaturated Sulfonic Esters for the Synthesis of Chiral Phosphine Sulfonate Compounds.","Organic letters","2013","15","19","5016","5019","10.1021/ol402351c","","","0.71073","MoKα","","0.0593","0.0587","","","0.1516","0.1523","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512375","7.6077","0.0015","10.2","0.002","13.805","0.003","76.12","0.03","82.47","0.03","69.23","0.03","971.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Cl N O -","- C24 H18 Cl N O -","- C48 H36 Cl2 N2 O2 -","2","1","","Liu, Zhenxing; Xia, Ying; Zhou, Shiyi; Wang, Long; Zhang, Yan; Wang, Jianbo","Pd-Catalyzed Cyclization and Carbene Migratory Insertion: New Approach to 3-Vinylindoles and 3-Vinylbenzofurans.","Organic letters","2013","15","19","5032","5035","10.1021/ol402368h","","","0.71073","MoKα","","0.1341","0.0937","","","0.2379","0.2685","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512376","18.6916","0.0012","5.7783","0.0005","33.895","0.002","90","","102.828","0.007","90","","3569.5","0.4","180","2","180.15","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C26 H18 O -","- C26 H18 O -","- C208 H144 O8 -","8","1","","Liu, Zhenxing; Xia, Ying; Zhou, Shiyi; Wang, Long; Zhang, Yan; Wang, Jianbo","Pd-Catalyzed Cyclization and Carbene Migratory Insertion: New Approach to 3-Vinylindoles and 3-Vinylbenzofurans.","Organic letters","2013","15","19","5032","5035","10.1021/ol402368h","","","0.7107","MoKα","","0.0592","0.0434","","","0.1033","0.1128","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512377","7.6739","0.0009","8.242","0.001","16.537","0.002","90","","96.94","0.01","90","","1038.3","0.2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl O4 -","- C11 H9 Cl O4 -","- C44 H36 Cl4 O16 -","4","1","","Aspin, Sam; López-Suárez, Laura; Larini, Paolo; Goutierre, Anne-Sophie; Jazzar, Rodolphe; Baudoin, Olivier","Palladium-Catalyzed β-Arylation of Silyl Ketene Acetals and Application to the Synthesis of Benzo-Fused δ-Lactones.","Organic letters","2013","15","19","5056","5059","10.1021/ol402398s","","","1.5418","CuKα","","0.0858","0.0835","","0.2352","0.2294","0.2352","","","","","","1.0119","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512378","8.0497","0.0004","15.5432","0.0008","21.3767","0.0011","90","","90","","90","","2674.6","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 O11 -","- C29 H32 O11 -","- C116 H128 O44 -","4","1","","Shi, Yi-Ming; Wang, Xin-Bo; Li, Xiao-Nian; Luo, Xiao; Shen, Zi-Ying; Wang, Yi-Ping; Xiao, Wei-Lie; Sun, Han-Dong","Lancolides, Antiplatelet Aggregation Nortriterpenoids with Tricyclo[6.3.0.0(2,11)]undecane-Bridged System from Schisandra lancifolia.","Organic letters","2013","15","19","5068","5071","10.1021/ol402414z","","","1.54178","CuKα","","0.0366","0.0366","","","0.092","0.092","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512379","19.0394","0.0003","19.0394","0.0003","8.2358","0.0002","90","","90","","90","","2985.47","0.1","100","2","100","2","","","","","","","","3","P 42","P 4c","77","","","","- C29 H42 O16 -","- C29 H32 O16 -","- C116 H128 O64 -","4","1","","Shi, Yi-Ming; Wang, Xin-Bo; Li, Xiao-Nian; Luo, Xiao; Shen, Zi-Ying; Wang, Yi-Ping; Xiao, Wei-Lie; Sun, Han-Dong","Lancolides, Antiplatelet Aggregation Nortriterpenoids with Tricyclo[6.3.0.0(2,11)]undecane-Bridged System from Schisandra lancifolia.","Organic letters","2013","15","19","5068","5071","10.1021/ol402414z","","","1.54178","CuKα","","0.049","0.0486","","","0.134","0.1345","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512380","11.7108","0.0003","11.236","0.0003","22.3436","0.0005","90","","103.523","0.001","90","","2858.52","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H38 O12 -","- C30 H36 O12 -","- C120 H144 O48 -","4","2","","Shi, Yi-Ming; Wang, Xin-Bo; Li, Xiao-Nian; Luo, Xiao; Shen, Zi-Ying; Wang, Yi-Ping; Xiao, Wei-Lie; Sun, Han-Dong","Lancolides, Antiplatelet Aggregation Nortriterpenoids with Tricyclo[6.3.0.0(2,11)]undecane-Bridged System from Schisandra lancifolia.","Organic letters","2013","15","19","5068","5071","10.1021/ol402414z","","","1.54178","CuKα","","0.0714","0.0708","","","0.1938","0.1951","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512381","9.3094","0.0002","17.5159","0.0003","18.8567","0.0003","90","","90","","90","","3074.82","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H46 O12 -","- C31 H46 O12 -","- C124 H184 O48 -","4","1","","Shi, Yi-Ming; Wang, Xin-Bo; Li, Xiao-Nian; Luo, Xiao; Shen, Zi-Ying; Wang, Yi-Ping; Xiao, Wei-Lie; Sun, Han-Dong","Lancolides, Antiplatelet Aggregation Nortriterpenoids with Tricyclo[6.3.0.0(2,11)]undecane-Bridged System from Schisandra lancifolia.","Organic letters","2013","15","19","5068","5071","10.1021/ol402414z","","","1.54178","CuKα","","0.0398","0.0393","","","0.1033","0.1037","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512382","13.327","0.003","17.391","0.004","23.422","0.005","93.875","0.003","102.751","0.002","110.568","0.002","4894.1","1.9","120","2","120","2","","","","","","","","3","P -1","-P 1","2","C14satNpcage","","","- C52 H90 Si2 -","- C52 H90 Si2 -","- C208 H360 Si8 -","4","2","","Setaka, Wataru; Koyama, Akiko; Yamaguchi, Kentaro","Cage Size Effects on the Rotation of Molecular Gyrotops with 1,4-Naphthalenediyl Rotor in Solution.","Organic letters","2013","15","19","5092","5095","10.1021/ol402464d","","","0.71073","MoKα","","0.1375","0.0781","","","0.1899","0.2273","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512383","14.1947","0.0012","15.1832","0.0013","28.719","0.002","85.137","0.001","80.282","0.001","75.08","0.001","5889.5","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","C16satNpcage","","","- C122 H216 O1.5 Si4 -","- C122 H216 O1.5 Si4 -","- C244 H432 O3 Si8 -","2","1","","Setaka, Wataru; Koyama, Akiko; Yamaguchi, Kentaro","Cage Size Effects on the Rotation of Molecular Gyrotops with 1,4-Naphthalenediyl Rotor in Solution.","Organic letters","2013","15","19","5092","5095","10.1021/ol402464d","","","0.71073","MoKα","","0.1435","0.0589","","","0.1263","0.1625","","","","","","0.998","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512384","14.5354","0.0018","14.7161","0.0018","16.738","0.002","66.601","0.002","82.719","0.002","68.828","0.002","3063.5","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","C18cageNp","","","- C64 H114 Si2 -","- C64 H114 Si2 -","- C128 H228 Si4 -","2","1","","Setaka, Wataru; Koyama, Akiko; Yamaguchi, Kentaro","Cage Size Effects on the Rotation of Molecular Gyrotops with 1,4-Naphthalenediyl Rotor in Solution.","Organic letters","2013","15","19","5092","5095","10.1021/ol402464d","","","0.71073","MoKα","","0.0981","0.0587","","","0.1309","0.1511","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512385","7.3794","0.001","12.184","0.0016","21.074","0.003","90","","90","","90","","1894.8","0.4","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Liu, Ya-Ping; Lai, Ren; Yao, Yong-Gang; Zhang, Zhong-Kai; Pu, En-Tang; Cai, Xiang-Hai; Luo, Xiao-Dong","Induced Furoeudesmanes: A Defense Mechanism Against Stress in Laggera pterodonta , a Chinese Herbal Plant.","Organic letters","2013","15","19","4940","4943","10.1021/ol4024826","","","0.71073","MoKα","","0.1189","0.051","","","0.0998","0.1244","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512386","6.98498","0.00008","11.58675","0.00014","35.3323","0.0006","90","","90","","90","","2859.56","0.07","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 Cl N2 O3 Ru S -","- C31 H33 Cl N2 O3 Ru S -","- C124 H132 Cl4 N8 O12 Ru4 S4 -","4","1","","Soni, Rina; Jolley, Katherine E.; Clarkson, Guy J.; Wills, Martin","Direct Formation of Tethered Ru(II) Catalysts Using Arene Exchange.","Organic letters","2013","15","19","5110","5113","10.1021/ol4024979","","","1.54184","CuKα","","0.0293","0.028","","","0.0669","0.0678","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512387","7.5837","0.0001","10.223","0.0001","38.6764","0.0003","90","","90","","90","","2998.51","0.05","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 Cl N2 O4 Ru S -","- C32 H35 Cl N2 O4 Ru S -","- C128 H140 Cl4 N8 O16 Ru4 S4 -","4","1","","Soni, Rina; Jolley, Katherine E.; Clarkson, Guy J.; Wills, Martin","Direct Formation of Tethered Ru(II) Catalysts Using Arene Exchange.","Organic letters","2013","15","19","5110","5113","10.1021/ol4024979","","","1.54178","CuKα","","0.0408","0.0393","","","0.0993","0.0997","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512388","5.293","0.0003","8.781","0.0006","20.7367","0.001","90","","91.303","0.005","90","","963.55","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Br N O2 -","- C24 H18 Br N O2 -","- C48 H36 Br2 N2 O4 -","2","1","","Zhang, Hai-Rui; Dong, Zhen-Wen; Yang, Yu-Jie; Wang, Ping-Luan; Hui, Xin-Ping","N-heterocyclic carbene-catalyzed stereoselective cascade reaction: synthesis of functionalized tetrahydroquinolines.","Organic letters","2013","15","18","4750","4753","10.1021/ol4024985","","","0.7107","MoKα","","0.0652","0.0491","","","0.0999","0.108","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512389","7.369","0.0004","9.0521","0.0007","15.6231","0.0011","74.152","0.003","87.885","0.004","70.465","0.009","943.11","0.13","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Cl N2 O3 -","- C21 H19 Cl N2 O3 -","- C42 H38 Cl2 N4 O6 -","2","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","1.54178","CuKα","","0.033","0.0329","","","0.0873","0.0873","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512390","8.6129","0.0016","10.1365","0.0019","16.519","0.003","81.013","0.002","76.588","0.002","74.509","0.002","1345","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H28 Cl N O3 -","- C33 H28 Cl N O3 -","- C66 H56 Cl2 N2 O6 -","2","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","0.71073","MoKα","","0.0486","0.0396","","","0.1011","0.1079","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512391","9.3945","0.001","11.7375","0.0013","19.054","0.002","90","","90","","90","","2101","0.4","190","2","190","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl N2 O4 -","- C22 H21 Cl N2 O4 -","- C88 H84 Cl4 N8 O16 -","4","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","0.71073","MoKα","","0.0272","0.0262","","","0.0703","0.0713","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512392","7.7223","0.0005","10.6112","0.0007","29.009","0.002","90","","90","","90","","2377.1","0.3","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Cl N2 O4 -","- C27 H23 Cl N2 O4 -","- C108 H92 Cl4 N8 O16 -","4","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","0.71073","MoKα","","0.0355","0.0304","","","0.0694","0.0729","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512393","8.0023","0.0008","8.5569","0.0007","27.385","0.002","90","","90","","90","","1875.2","0.3","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","1.54178","CuKα","","0.0258","0.0258","","","0.0677","0.0677","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512394","6.3661","0.0001","16.2208","0.0004","18.3651","0.0004","90","","90","","90","","1896.44","0.07","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","","Tan, Darlene Q.; Younai, Ashkaan; Pattawong, Ommidala; Fettinger, James C.; Cheong, Paul Ha-Yeon; Shaw, Jared T.","Stereoselective Synthesis of γ-Lactams from Imines and Cyanosuccinic Anhydrides.","Organic letters","2013","15","19","5126","5129","10.1021/ol402554n","","","1.54178","CuKα","","0.0243","0.0242","","","0.0639","0.064","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512395","9.2559","0.0004","7.6278","0.0004","17.566","0.0009","90","","95.99","0.002","90","","1233.43","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H26 Br N O4 S -","- C27 H26 Br N O4 S -","- C54 H52 Br2 N2 O8 S2 -","2","1","","Dou, Xiaowei; Zhou, Bo; Yao, Weijun; Zhong, Fangrui; Jiang, Chunhui; Lu, Yixin","A Facile Approach for the Asymmetric Synthesis of Oxindoles with a 3-Sulfenyl-Substituted Quaternary Stereocenter.","Organic letters","2013","15","19","4920","4923","10.1021/ol402579x","","","0.71073","MoKα","","0.0259","0.0244","","","0.0585","0.0589","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512396","4.5786","0.0003","5.2981","0.0003","2.9991","0.0002","90","","90","","90","","72.752","0.008","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Iron tetraborate","","- B4 Fe -","- B4 Fe -","- B8 Fe2 -","2","0.25","","Gou, Huiyang; Dubrovinskaia, Natalia; Bykova, Elena; Tsirlin, Alexander A.; Kasinathan, Deepa; Schelle, Walter; Richter, Asta; Merlini, Marco; Hanfland, Michael; Abakumov, Artem M.; Batuk, Dmitry; van Tendeloo, Gustaaf; Nakajima, Yoichi; Kolmogorov, Aleksey N.; Dubrovinsky, Leonid","Discovery of a superhard iron tetraboride superconductor","Physical Review Letters","2013","111","15","","","10.1103/physrevlett.111.157002","","","","","","","","","","","","","","","","","","","","","has coordinates","209338","2020-10-21","18:00:00",""
"1512557","5.5494","0.0015","14.35","0.006","7.481","0.002","90","","90","","90","","595.7","0.3","293","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Al2.5 B0.5 O4.5 -","- Al2.5 B0.5 O4.5 -","- Al20 B4 O36 -","8","1","FV5010","Rothkirch, André; Gatta, G. Diego; Meyer, Mathias; Merkel, Sébastien; Merlini, Marco; Liermann, Hanns-Peter","Single-crystal diffraction at the Extreme Conditions beamline P02.2: procedure for collecting and analyzing high-pressure single-crystal data","Journal of Synchrotron Radiation","2013","20","5","711","720","10.1107/S0909049513018621","","","0.28988","X-ray","","0.0891","0.0581","","","0.0633","0.0806","","","","","","1.26","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512558","9.83355","0.00036","9.07414","0.00034","5.34456","0.00019","90","","107.021","0.002","90","","456.01","0.03","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Eu0.08 Na3.92 O24 Sc4 Si8 -","- Eu0.0804 Na3.9196 O24 Sc4 Si8 -","- Eu0.0804 Na3.9196 O24 Sc4 Si8 -","1","0.125","","Xia, Zhiguo; Zhang, Yuanyuan; Molokeev, Maxim S.; Atuchin, Victor V.","Structural and Luminescence Properties of Yellow-Emitting NaScSi2O6:Eu2+Phosphors: Eu2+Site Preference Analysis and Generation of Red Emission by Codoping Mn2+for White-Light-Emitting Diode Applications","The Journal of Physical Chemistry C","2013","117","40","20847","","10.1021/jp4062225","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.922","","","","2.2","","","","has coordinates","205493","2020-10-21","18:00:00",""
"1512559","13.053","0.003","9.571","0.002","6.0856","0.0015","90","","90","","90","","760.3","0.3","110","2","110","2","","","","","","","","3","P n m a","-P 2ac 2n","62","cyclopentene trithiocarbonate","","","- C6 H8 S3 -","- C6 H8 S3 -","- C24 H32 S12 -","4","0.5","","Darensbourg, Donald J.; Wilson, Stephanie J.; Yeung, Andrew D.","Oxygen/Sulfur Scrambling During the Copolymerization of Cyclopentene Oxide and Carbon Disulfide: Selectivity for Copolymer vs Cyclic [Thio]carbonates","Macromolecules","2013","46","20","8102","","10.1021/ma4015438","","","0.71073","MoKα","","0.0275","0.0249","","","0.0718","0.0727","","","","","","1.123","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512560","6.1962","0.0002","12.5597","0.0004","30.5348","0.0011","90","","90","","90","","2376.29","0.14","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O4 -","- C28 H38 O4 -","- C112 H152 O16 -","4","1","","Huang, Chiung-Yao; Liaw, Chih-Chuang; Chen, Bo-Wei; Chen, Pei-Chin; Su, Jui-Hsin; Sung, Ping-Jyun; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng","Withanolide-Based Steroids from the Cultured Soft Coral Sinularia brassica.","Journal of natural products","2013","76","10","1902","1908","10.1021/np400454q","","","1.54178","CuKα","","0.0272","0.027","","","0.0685","0.0687","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512561","8.3638","0.0008","13.8405","0.0012","11.1316","0.0011","90","","94.755","0.001","90","","1284.1","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","aniduquinolone a","","","- C27 H33 N O6 -","- C27 H33 N O6 -","- C54 H66 N2 O12 -","2","1","","An, Chun-Yan; Li, Xiao-Ming; Luo, Han; Li, Chun-Shun; Wang, Ming-Hui; Xu, Gang-Ming; Wang, Bin-Gui","4-Phenyl-3,4-dihydroquinolone Derivatives from Aspergillus nidulans MA-143, an Endophytic Fungus Isolated from the Mangrove Plant Rhizophora stylosa.","Journal of natural products","2013","76","10","1896","1901","10.1021/np4004646","","","0.71073","MoKα","","0.0764","0.0496","","","0.0992","0.1069","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512562","19.164","0.004","7.2611","0.0012","18.488","0.003","90","","118.742","0.004","90","","2255.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl N3 O -","- C25 H34 Cl N3 O -","- C100 H136 Cl4 N12 O4 -","4","1","","Jones, Brian T.; Hu, Dennis X.; Savoie, Brett M.; Thomson, Regan J.","Elimination of butylcycloheptylprodigiosin as a known natural product inspired by an evolutionary hypothesis for cyclic prodigiosin biosynthesis.","Journal of natural products","2013","76","10","1937","1945","10.1021/np400531b","","","0.39739","synchrotron","","0.1329","0.0674","","","0.1458","0.1771","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512563","27.139","0.005","8.776","0.0018","23.632","0.005","90","","123.81","0.03","90","","4677","2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34 Cl N3 O -","- C25 H34 Cl N3 O -","- C200 H272 Cl8 N24 O8 -","8","2","","Jones, Brian T.; Hu, Dennis X.; Savoie, Brett M.; Thomson, Regan J.","Elimination of butylcycloheptylprodigiosin as a known natural product inspired by an evolutionary hypothesis for cyclic prodigiosin biosynthesis.","Journal of natural products","2013","76","10","1937","1945","10.1021/np400531b","","","0.71073","MoKα","","0.0807","0.057","","","0.1345","0.1529","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512564","18.941","0.0005","11.5381","0.0003","14.572","0.0004","90","","109.522","0.002","90","","3001.54","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H42 O5 S -","- C33 H42 O5 S -","- C132 H168 O20 S4 -","4","1","","Vidali, Veroniki P.; Mitsopoulou, Kornilia P.; Dakanali, Marianna; Demadis, Konstantinos D.; Odysseos, Andreani D.; Christou, Yiota A.; Couladouros, Elias A.","An Unusual Michael-Induced Skeletal Rearrangement of a Bicyclo[3.3.1]nonane Framework of Phloroglucinols to a Novel Bioactive Bicyclo[3.3.0]octane.","Organic letters","2013","15","21","5404","5407","10.1021/ol4020909","","","0.71073","MoKα","","0.0933","0.0501","","","0.1336","0.1626","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512565","19.043","0.004","5.2281","0.001","16.532","0.003","90","","107.22","0.03","90","","1572.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Liu, Hailan; Zhou, Yiqing; Yan, Xiaoyu; Chen, Chao; Liu, Qingbin; Xi, Chanjuan","Copper-Mediated Amidation of Alkenylzirconocenes with Acyl Azides: Formation of Enamides","Organic Letters","2013","15","20","5174","","10.1021/ol402212g","","","0.71073","MoKα","","","0.0976","","","0.2736","0.2934","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512566","18.2298","0.0011","8.4545","0.0004","18.1304","0.0009","90","","93.618","0.004","90","","2788.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C120 H120 N8 O16 S8 -","8","1","","Wei, Ying; Liang, Fushun; Zhang, Xintong","N-Bromoimide/DBU Combination as a New Strategy for Intermolecular Allylic Amination","Organic Letters","2013","15","20","5186","","10.1021/ol402287n","","","0.71073","MoKα","","0.0508","0.04","","","0.1024","0.1124","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512567","12.429","","7.804","","21.708","","90","","94.39","","90","","2099.41","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10.5 H10.5 Br0.5 N10.5 O10.5 S0.5 -","- C21 H20 Br N O4 S2 -","- C84 H80 Br4 N4 O16 S8 -","4","1","","Wei, Ying; Liang, Fushun; Zhang, Xintong","N-Bromoimide/DBU Combination as a New Strategy for Intermolecular Allylic Amination","Organic Letters","2013","15","20","5186","","10.1021/ol402287n","","","0.71073","MoKα","","0.0859","0.0494","","","0.0957","0.1118","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512568","7.844","0.011","11.183","0.015","12.865","0.019","85.56","0.05","85.01","0.04","80.27","0.03","1106","3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl F3 N2 O4 -","- C23 H20 Cl F3 N2 O4 -","- C46 H40 Cl2 F6 N4 O8 -","2","1","","Yang, Li-Jun; Wang, Shuai; Nie, Jing; Li, Shen; Ma, Jun-An","Bisphosphine-Triggered One-Pot Sequential [3 + 2]/[3 + 2] Annulation of Allenoates with Cyclic Ketimines","Organic Letters","2013","15","20","5214","","10.1021/ol402364t","","","0.71073","MoKα","","0.0949","0.0801","","","0.2778","0.2895","","","","","","1.149","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512569","11.216","0.006","16.253","0.01","20.844","0.013","83.508","0.012","82.179","0.016","78.671","0.012","3676","4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Br2 F3 N3 O7 -","- C36 H32 Br2 F3 N3 O7 -","- C144 H128 Br8 F12 N12 O28 -","4","2","","Yang, Li-Jun; Wang, Shuai; Nie, Jing; Li, Shen; Ma, Jun-An","Bisphosphine-Triggered One-Pot Sequential [3 + 2]/[3 + 2] Annulation of Allenoates with Cyclic Ketimines","Organic Letters","2013","15","20","5214","","10.1021/ol402364t","","","0.71073","MoKα","","0.2072","0.0741","","","0.1697","0.249","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512570","12.48","0.005","16.462","0.006","8.795","0.003","90","","103.289","0.009","90","","1758.5","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","1","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBHP-Catalyzed Chemoselective Amination of Indoles","Organic Letters","2013","15","20","5226","","10.1021/ol4023936","","","0.7107","MoKα","","0.1771","0.1039","","","0.2092","0.2486","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512571","23.0116","0.0014","11.7702","0.001","17.9128","0.001","90","","92.626","0.005","90","","4846.6","0.6","223","0.1","223","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 N3 O2 -","- C27 H31 N3 O2 -","- C216 H248 N24 O16 -","8","1","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBHP-Catalyzed Chemoselective Amination of Indoles","Organic Letters","2013","15","20","5226","","10.1021/ol4023936","","","0.7107","MoKα","","0.1005","0.0579","","","0.1469","0.1783","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512572","9.1909","0.001","29.712","0.003","8.0681","0.0008","90","","107.905","0.011","90","","2096.5","0.4","179.7","0.5","179.7","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br N3 O2 S -","- C23 H22 Br N3 O2 S -","- C92 H88 Br4 N12 O8 S4 -","4","1","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBHP-Catalyzed Chemoselective Amination of Indoles","Organic Letters","2013","15","20","5226","","10.1021/ol4023936","","","0.7107","MoKα","","0.0644","0.0413","","","0.0861","0.0966","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512573","9.7685","0.0005","26.1496","0.0011","10.6114","0.0006","90","","116.328","0.007","90","","2429.4","0.3","200.05","0.1","200.05","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H24 I N3 O4 S -","- C25 H24 I N3 O4 S -","- C100 H96 I4 N12 O16 S4 -","4","2","","Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun","I2/TBHP-Catalyzed Chemoselective Amination of Indoles","Organic Letters","2013","15","20","5226","","10.1021/ol4023936","","","0.7107","MoKα","","0.0397","0.0339","","","0.0712","0.0745","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512574","4.485","0.001","19.949","0.002","12.972","0.001","90","","95.19","0.006","90","","1155.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-methyl-2-phenylquinoxaline","","- C15 H12 N2 -","- C15 H12 N2 -","- C60 H48 N8 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal; Al-Mourabit, Ali","A Simple and Straightforward Approach to Quinoxalines by Iron/Sulfur-Catalyzed Redox Condensation ofo-Nitroanilines and Phenethylamines","Organic Letters","2013","15","20","5238","","10.1021/ol402435c","","","0.7107","MoKα","","0.1178","0.0538","","","0.1297","0.1633","","","","","","0.984","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512575","16.03","0.002","3.957","0.001","22.244","0.004","90","","123.614","0.002","90","","1175","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-methoxy-2-phenylquinoxaline","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Nguyen, Thanh Binh; Retailleau, Pascal; Al-Mourabit, Ali","A Simple and Straightforward Approach to Quinoxalines by Iron/Sulfur-Catalyzed Redox Condensation ofo-Nitroanilines and Phenethylamines","Organic Letters","2013","15","20","5238","","10.1021/ol402435c","","","0.7107","MoKα","","0.0781","0.0518","","","0.1353","0.158","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512576","7.7124","0.0011","8.5857","0.0012","14.714","0.002","88.357","0.002","84.196","0.002","63.703","0.002","868.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 N O4 S2 -","- C20 H15 N O4 S2 -","- C40 H30 N2 O8 S4 -","2","1","","Yugandar, Somaraju; Misra, Nimesh C.; Parameshwarappa, Gangajji; Panda, Kausik; Ila, Hiriyakkanavar","Reaction of Cyclic α-Oxoketene Dithioacetals with Methylene Isocyanides: A Novel Pyrrole Annulation‒Ring-Expansion Domino Process","Organic Letters","2013","15","20","5250","","10.1021/ol402469v","","","0.71073","MoKα","","0.0815","0.0564","","","0.1287","0.1909","","","","","","1.21","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512577","14.79","0.0009","15.132","0.002","6.93","0.0005","90","","96.685","0.005","90","","1540.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C64 H64 N8 O20 S4 -","4","1","","Yugandar, Somaraju; Misra, Nimesh C.; Parameshwarappa, Gangajji; Panda, Kausik; Ila, Hiriyakkanavar","Reaction of Cyclic α-Oxoketene Dithioacetals with Methylene Isocyanides: A Novel Pyrrole Annulation‒Ring-Expansion Domino Process","Organic Letters","2013","15","20","5250","","10.1021/ol402469v","","","0.71073","MoKα","","0.0986","0.0873","","","0.2206","0.2268","","","","","","1.196","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512578","7.529","0.005","8.069","0.005","12.582","0.005","87.884","0.005","84.376","0.005","85.268","0.005","757.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N O3 S -","- C19 H15 N O3 S -","- C38 H30 N2 O6 S2 -","2","1","","Yugandar, Somaraju; Misra, Nimesh C.; Parameshwarappa, Gangajji; Panda, Kausik; Ila, Hiriyakkanavar","Reaction of Cyclic α-Oxoketene Dithioacetals with Methylene Isocyanides: A Novel Pyrrole Annulation‒Ring-Expansion Domino Process","Organic Letters","2013","15","20","5250","","10.1021/ol402469v","","","0.71069","MoKα","","0.0454","0.041","","","0.1054","0.1087","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512579","11.1863","0.0001","20.2267","0.0001","15.4476","0.0001","90","","102.894","0.001","90","","3407.07","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Cl N O S -","- C22 H14 Cl N O S -","- C176 H112 Cl8 N8 O8 S8 -","8","2","","Yugandar, Somaraju; Misra, Nimesh C.; Parameshwarappa, Gangajji; Panda, Kausik; Ila, Hiriyakkanavar","Reaction of Cyclic α-Oxoketene Dithioacetals with Methylene Isocyanides: A Novel Pyrrole Annulation‒Ring-Expansion Domino Process","Organic Letters","2013","15","20","5250","","10.1021/ol402469v","","","1.5418","CuKα","","0.0343","0.0336","","","0.0904","0.0909","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512580","7.8933","0.0007","12.1766","0.0011","18.5618","0.0016","101.437","0.002","93.853","0.002","94.818","0.002","1736","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N O4 S -","- C21 H17 N O4 S -","- C84 H68 N4 O16 S4 -","4","2","","Yugandar, Somaraju; Misra, Nimesh C.; Parameshwarappa, Gangajji; Panda, Kausik; Ila, Hiriyakkanavar","Reaction of Cyclic α-Oxoketene Dithioacetals with Methylene Isocyanides: A Novel Pyrrole Annulation‒Ring-Expansion Domino Process","Organic Letters","2013","15","20","5250","","10.1021/ol402469v","","","0.71073","MoKα","","0.1091","0.0689","","","0.1583","0.234","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512581","7.6132","0.0003","11.2387","0.0004","12.7129","0.0004","94.482","0.002","95.013","0.002","105.512","0.002","1038.26","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Cl N O S2 -","- C24 H16 Cl N O S2 -","- C48 H32 Cl2 N2 O2 S4 -","2","1","","Yugandar, Somaraju; Misra, Nimesh C.; Parameshwarappa, Gangajji; Panda, Kausik; Ila, Hiriyakkanavar","Reaction of Cyclic α-Oxoketene Dithioacetals with Methylene Isocyanides: A Novel Pyrrole Annulation‒Ring-Expansion Domino Process","Organic Letters","2013","15","20","5250","","10.1021/ol402469v","","","0.71073","MoKα","","0.0614","0.0409","","","0.0942","0.1009","","","","","","0.879","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512582","7.7991","0.0019","10.857","0.003","37.346","0.01","90","","90","","90","","3162.3","1.4","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H31 Br N2 O10 S -","- C33 H31 Br N2 O10 S -","- C132 H124 Br4 N8 O40 S4 -","4","1","","Harada, Shinji; Morikawa, Takahiro; Nishida, Atsushi","Chiral Holmium Complex-Catalyzed Diels‒Alder Reaction of Silyloxyvinylindoles: Stereoselective Synthesis of Hydrocarbazoles","Organic Letters","2013","15","20","5314","","10.1021/ol402559z","","","0.71073","MoKα","","0.1348","0.0932","","","0.2081","0.2264","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512583","21.2352","0.0008","21.2352","0.0008","23.791","0.001","90","","90","","90","","10728.2","0.7","150","","150","","","","","","","","Synthesized by the authors. See text","5","I -4 2 d","I -4 2bw","122","","","","- C100 H96 N8 O8 Pt -","- C100 H96 N8 O8 Pt -","- C400 H384 N32 O32 Pt4 -","4","0.25","","Zems, Yaroslav; Moiseev, Andrey G.; Perepichka, Dmitrii F.","Convenient Synthesis of a Highly Soluble and Stable Phosphorescent Platinum Porphyrin Dye","Organic Letters","2013","15","20","5330","","10.1021/ol402590c","","","1.54178","CuKα","","0.0376","0.0375","","","0.115","0.1151","","","","","","1.196","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512584","5.5644","0.0006","11.1162","0.0012","18.838","0.002","78.685","0.002","82.839","0.002","81.501","0.002","1124.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N O2 S -","- C29 H23 N O2 S -","- C58 H46 N2 O4 S2 -","2","1","","Pirwerdjan, Ramona; Priebbenow, Daniel L.; Becker, Peter; Lamers, Philip; Bolm, Carsten","Exploring the reactivity of N-alkynylated sulfoximines: [2 + 2]-cycloadditions.","Organic letters","2013","15","21","5397","5399","10.1021/ol4026028","","","0.71073","MoKα","","0.0657","0.0495","","","0.108","0.1173","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512585","9.6627","0.0007","13.449","0.0009","12.0884","0.0008","90","","90.961","0.001","90","","1570.71","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H45 N O9 Si -","- C28 H45 N O9 Si -","- C56 H90 N2 O18 Si2 -","2","1","","Tanis, Paul S.; Infantine, Joshua R.; Leighton, James L.","Exploiting pseudo c2-symmetry for an efficient synthesis of the f-ring of the spongistatins.","Organic letters","2013","15","21","5464","5467","10.1021/ol402604s","","","0.71073","MoKα","","0.0515","0.0444","","","0.114","0.1201","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512586","12.7853","0.0004","13.9375","0.0005","17.3593","0.0005","72.293","0.003","70.801","0.003","73.133","0.003","2720.04","0.16","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H61 F6 N2 O13 P -","- C51 H61 F6 N2 O13 P -","- C102 H122 F12 N4 O26 P2 -","2","1","","Zhou, Qizhong; Wei, Peifa; Zhang, Yanyan; Yu, Yihua; Yan, Xuzhou","Benzo-21-crown-7-Based [1]Rotaxanes: Syntheses, X-ray Crystal Structures, and Dynamic Characteristics","Organic Letters","2013","15","20","5350","","10.1021/ol402607x","","","0.71073","MoKα","","0.1215","0.0809","","","0.235","0.2588","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512587","6.2782","0.0007","9.3617","0.0012","13.9272","0.0017","90","","100.666","0.009","90","","804.42","0.17","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C36 H30 Br2 O6 -","2","1","","Yetra, Santhivardhana Reddy; Kaicharla, Trinadh; Kunte, Sunita S.; Gonnade, Rajesh G.; Biju, Akkattu T.","Asymmetric N-Heterocyclic Carbene (NHC)-Catalyzed Annulation of Modified Enals with Enolizable Aldehydes","Organic Letters","2013","15","20","5202","","10.1021/ol4026155","","","0.71073","MoKα","","0.0906","0.0416","","","0.0852","0.1007","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512588","7.1357","0.0006","15.2442","0.0007","11.1252","0.001","90","","106.762","0.009","90","","1158.76","0.16","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H35 Cl P2 Pd -","- C20 H35 Cl P2 Pd -","- C40 H70 Cl2 P4 Pd2 -","2","1","","Ding, Boqiang; Zhang, Zhenfeng; Xu, Yang; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","P-Stereogenic PCP Pincer-Pd Complexes: Synthesis and Application in Asymmetric Addition of Diarylphosphines to Nitroalkenes.","Organic letters","2013","15","21","5476","5479","10.1021/ol402627f","","","0.71073","MoKα","","0.0798","0.061","","","0.161","0.179","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512589","23.9112","0.0012","6.492","0.0009","26.346","0.002","90","","95.462","0.006","90","","4071.2","0.7","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C35 H51 N3 O12 Si2 -","- C35 H51 N3 O12 Si2 -","- C140 H204 N12 O48 Si8 -","4","1","","Pullin, Robert D. C.; Rathi, Akshat H.; Melikhova, Ekaterina Y.; Winter, Christian; Thompson, Amber L.; Donohoe, Timothy J.","Tethered Aminohydroxylation: Synthesis of the β-Amino Acid of Microsclerodermins A and B.","Organic letters","2013","15","21","5492","5495","10.1021/ol402638n","","","0.6889","synchrotron","","0.1155","0.0959","","0.2229","0.2043","0.2229","","","","","","1.0137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512590","10.9251","0.0003","7.6043","0.0002","11.6088","0.0003","90","","93.167","0.001","90","","962.96","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 O4 P -","- C21 H21 O4 P -","- C42 H42 O8 P2 -","2","1","","Zhou, Yougui; Wang, Shouliang; Wu, Wenhao; Li, Qing; He, Yuwei; Zhuang, Yue; Li, Lanning; Pang, Jiyan; Zhou, Zhongyuan; Qiu, Liqin","Enantioselective Synthesis of Axially Chiral Multifunctionalized Biaryls via Asymmetric Suzuki-Miyaura Coupling.","Organic letters","2013","15","21","5508","5511","10.1021/ol402666p","","","0.71073","MoKα","","0.0394","0.0343","","","0.0859","0.09","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512591","8.103","0.0003","23.0098","0.0008","7.3274","0.0002","90","","90","","90","","1366.18","0.08","98","","98","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C14 H13 N O5 S -","- C14 H13 N O5 S -","- C56 H52 N4 O20 S4 -","4","1","","Yang, Aigang; Si, Longlong; Shi, Zhenping; Tian, Li; Liu, Dong; Zhou, Demin; Proksch, Peter; Lin, Wenhan","Nitrosporeusines A and B, Unprecedented Thioester-Bearing Alkaloids from the ArcticStreptomyces nitrosporeus","Organic Letters","2013","15","20","5366","","10.1021/ol4026809","","","1.5418","CuKα","","0.059","0.0589","","","0.1675","0.1676","","","","","","1.192","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512592","8.58","0.0017","14.97","0.003","9.705","0.0019","90","","107.17","0.03","90","","1191","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N -","- C15 H10 F3 N -","- C60 H40 F12 N4 -","4","1","","Cheng, Yuanzheng; Jiang, Heng; Zhang, Yan; Yu, Shouyun","Isocyanide insertion: de novo synthesis of trifluoromethylated phenanthridine derivatives.","Organic letters","2013","15","21","5520","5523","10.1021/ol4026827","","","0.71073","MoKα","","0.1004","0.051","","","0.1324","0.1608","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512593","8.156","0.003","11.1","0.004","13.054","0.004","107.025","0.004","98.84","0.003","102.091","0.004","1075.3","0.6","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O2 -","- C27 H22 N2 O2 -","- C54 H44 N4 O4 -","2","1","","Peng, Jing; Huang, Xin; Zheng, Peng-Fei; Chen, Ying-Chun","Rauhut-currier-type reaction with morita-baylis-hillman carbonates of 2-cyclohexenone and alkylidenemalononitriles to access chromene derivatives.","Organic letters","2013","15","21","5534","5537","10.1021/ol402694b","","","0.71073","MoKα","","0.0758","0.0582","","","0.1268","0.1369","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512594","14.185","0.0013","5.9527","0.0006","23.417","0.002","90","","98.608","0.002","90","","1955","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl2 N2 O2 S -","- C19 H20 Cl2 N2 O2 S -","- C76 H80 Cl8 N8 O8 S4 -","4","1","","Fang, Xin; Li, Jun; Tao, Hai-Yan; Wang, Chun-Jiang","Highly Diastereoselective DABCO-Catalyzed [3 + 3]-Cycloaddition of 1,4-Dithiane-2,5-diol with Azomethine Imines.","Organic letters","2013","15","21","5554","5557","10.1021/ol402724h","","","0.71073","MoKα","","0.0846","0.0729","","","0.1771","0.1876","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512595","7.9941","0.0009","11.2961","0.0011","11.4612","0.0014","61.296","0.011","87.362","0.009","74.901","0.009","872.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 O2 S3 -","- C19 H14 O2 S3 -","- C38 H28 O4 S6 -","2","1","","Chowdhury, Sushobhan; Chanda, Tanmoy; Koley, Suvajit; Ramulu, B. Janaki; Jones, Raymond C. F.; Singh, Maya Shankar","Palladium Catalyzed Oxidative Coupling of α-Enolic Dithioesters: A New Entry to 3,4,5-Trisubstituted 1,2-Dithiolesviaa Double Activation Strategy","Organic Letters","2013","15","20","5386","","10.1021/ol402728y","","","0.71073","MoKα","","0.0799","0.0459","","","0.1106","0.1384","","","","","","0.895","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512596","11.1874","0.0015","14.775","0.002","8.1374","0.001","90","","90","","90","","1345.1","0.3","90","0.5","90","0.5","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H14 Br2 O Te -","- C11 H14 Br2 O Te -","- C44 H56 Br8 O4 Te4 -","4","1","","Conner, Elizabeth S.; Crocker, Katherine E.; Fernando, Ranelka G.; Fronczek, Frank R.; Stanley, George G.; Ragains, Justin R.","Visible-light-promoted selenofunctionalization of alkenes.","Organic letters","2013","15","21","5558","5561","10.1021/ol402753u","","","0.71073","MoKα","","0.0524","0.0442","","","0.084","0.0871","","","","","","1.467","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1512597","7.601","0.0015","15.479","0.003","14.354","0.003","90","","101.76","0.03","90","","1653.4","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H13 F3 N2 O4 -","- C18 H13 F3 N2 O4 -","- C72 H52 F12 N8 O16 -","4","2","","Cheerlavancha, Raju; Lawer, Aggie; Cagnes, Marina; Bhadbhade, Mohan; Hunter, Luke","Sequential Deoxyfluorination Approach for the Synthesis of Protected α,β,γ-Trifluoro-δ-amino Acids.","Organic letters","2013","15","21","5562","5565","10.1021/ol402756e","","","0.71073","Synchrotron","","0.0346","0.0319","","","0.0785","0.0802","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512598","7.6333","0.0012","9.0831","0.0015","23.858","0.003","90","","90","","90","","1654.2","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 F3 N2 O4 -","- C18 H13 F3 N2 O4 -","- C72 H52 F12 N8 O16 -","4","1","","Cheerlavancha, Raju; Lawer, Aggie; Cagnes, Marina; Bhadbhade, Mohan; Hunter, Luke","Sequential Deoxyfluorination Approach for the Synthesis of Protected α,β,γ-Trifluoro-δ-amino Acids.","Organic letters","2013","15","21","5562","5565","10.1021/ol402756e","","","0.71073","MoKα","","0.0483","0.0377","","","0.0826","0.0881","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512599","12.933","0.003","6.1668","0.0013","17.271","0.004","90","","104.696","0.004","90","","1332.4","0.5","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H19 Br Cl N O4 S -","- C25 H19 Br Cl N O4 S -","- C50 H38 Br2 Cl2 N2 O8 S2 -","2","1","","Wang, Shengzheng; Zhang, Yongqiang; Dong, Guoqiang; Wu, Shanchao; Zhu, Shiping; Miao, Zhenyuan; Yao, Jianzhong; Li, Hao; Li, Jian; Zhang, Wannian; Sheng, Chunquan; Wang, Wei","Asymmetric Synthesis of Chiral Dihydrothiopyrans via an Organocatalytic Enantioselective Formal Thio [3 + 3] Cycloaddition Reaction with Binucleophilic Bisketone Thioethers.","Organic letters","2013","15","21","5570","5573","10.1021/ol4027705","","","0.71073","MoKα","","0.0514","0.0398","","","0.1033","0.1094","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512600","9.087","0.001","9.8368","0.001","19.8075","0.0019","90","","92.304","0.002","90","","1769.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Chen, Ming; Sun, Ning; Liu, Yuanhong","Environmentally Benign Synthesis of Indeno[1,2-b]quinolines via an Intramolecular Povarov Reaction.","Organic letters","2013","15","21","5574","5577","10.1021/ol402775k","","","0.71073","MoKα","","0.0651","0.0439","","","0.115","0.1275","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512601","8.0687","0.0012","11.5041","0.0017","12.1379","0.0017","113.129","0.003","102.038","0.003","98.322","0.003","980.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 N O3 -","- C25 H21 N O3 -","- C50 H42 N2 O6 -","2","1","","Chen, Ming; Sun, Ning; Liu, Yuanhong","Environmentally Benign Synthesis of Indeno[1,2-b]quinolines via an Intramolecular Povarov Reaction.","Organic letters","2013","15","21","5574","5577","10.1021/ol402775k","","","0.71073","MoKα","","0.0622","0.0493","","","0.1313","0.1445","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512602","11.9303","0.0015","14.2709","0.0019","11.7163","0.0016","90","","116.091","0.003","90","","1791.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17 N -","- C26 H17 N -","- C104 H68 N4 -","4","1","","Chen, Ming; Sun, Ning; Liu, Yuanhong","Environmentally Benign Synthesis of Indeno[1,2-b]quinolines via an Intramolecular Povarov Reaction.","Organic letters","2013","15","21","5574","5577","10.1021/ol402775k","","","0.71073","MoKα","","0.0788","0.0564","","","0.134","0.1491","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512603","19.2487","0.0015","10.3132","0.0008","13.9713","0.0011","90","","107.869","0.002","90","","2639.7","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 N2 -","- C38 H24 N2 -","- C152 H96 N8 -","4","1","","Chen, Ming; Sun, Ning; Liu, Yuanhong","Environmentally Benign Synthesis of Indeno[1,2-b]quinolines via an Intramolecular Povarov Reaction.","Organic letters","2013","15","21","5574","5577","10.1021/ol402775k","","","0.71073","MoKα","","0.0839","0.047","","","0.135","0.1452","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512668","11.8224","0.0006","6.9276","0.0003","12.0972","0.0005","90","","91.513","0.004","90","","990.43","0.08","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","2","","Malinka Stoyanova; Rositsa Nikolova; Boris Shivachev; Vladimir Dimitrov","Highly efficient synthesis of chiral aminoalcohols with camphane skeleton","Tetrahedron: Asymmetry","2013","24","","1426","","10.1016/j.tetasy.2013.08.015","","","1.54184","CuKα","","0.0887","0.0773","","","0.2141","0.2284","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512669","8.8858","0.0001","11.273","0.0002","21.7155","0.0003","90","","90","","90","","2175.23","0.05","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 O2 -","- C11 H20 O2 -","- C88 H160 O16 -","8","2","","Malinka Stoyanova; Rositsa Nikolova; Boris Shivachev; Vladimir Dimitrov","Highly efficient synthesis of chiral aminoalcohols with camphane skeleton","Tetrahedron: Asymmetry","2013","24","","1426","","10.1016/j.tetasy.2013.08.015","","","1.54184","CuKα","","0.0406","0.0376","","","0.1127","0.1245","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512744","12.8064","0.0009","18.3229","0.0013","14.2866","0.001","90","","101.328","0.001","90","","3287","0.4","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H71 N7 O4 Sr2 -","- C72 H76 N8 O4 Sr2 -","- C144 H152 N16 O8 Sr4 -","2","0.5","","Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad","Synthesis and characterization of the heavy alkaline earth aryloxide congeners","Inorganica Chimica Acta","2013","394","","259","268","10.1016/j.ica.2012.07.019","","","0.71073","MoKα","","0.0886","0.0378","","","0.0619","0.0688","","","","","","0.811","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512745","14.8727","0.0015","17.7921","0.0018","17.3089","0.0017","90","","103.892","0.001","90","","4446.3","0.8","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H49 N4 O2 Sr -","- C44 H49 N4 O2 Sr -","- C176 H196 N16 O8 Sr4 -","4","1","","Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad","Synthesis and characterization of the heavy alkaline earth aryloxide congeners","Inorganica Chimica Acta","2013","394","","259","268","10.1016/j.ica.2012.07.019","","","0.71073","MoKα","","0.0511","0.0385","","","0.1107","0.117","","","","","","0.931","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512746","15.9769","0.0019","18.674","0.002","27.258","0.003","90","","90","","90","","8132.5","1.6","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H57 N3 O2 Sr -","- C43 H57 N3 O2 Sr -","- C344 H456 N24 O16 Sr8 -","8","1","","Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad","Synthesis and characterization of the heavy alkaline earth aryloxide congeners","Inorganica Chimica Acta","2013","394","","259","268","10.1016/j.ica.2012.07.019","","","0.71073","MoKα","","0.1199","0.047","","","0.1132","0.1573","","","","","","0.838","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512747","13.0462","0.0003","13.2414","0.0003","27.9351","0.0008","92.484","0.002","98.851","0.002","104.285","0.001","4604.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C192 H206 Ba7 N16 O14 -","- C192 H206 Ba7 N16 O14 -","- C192 H206 Ba7 N16 O14 -","1","0.5","","Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad","Synthesis and characterization of the heavy alkaline earth aryloxide congeners","Inorganica Chimica Acta","2013","394","","259","268","10.1016/j.ica.2012.07.019","","","0.71073","MoKα","","0.0863","0.0502","","","0.1619","0.2191","","","","","","0.833","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512748","14.7712","0.0011","17.8407","0.0014","17.6205","0.0014","90","","104.578","0.001","90","","4494","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Ba N4 O2 -","- C44 H54 Ba N4 O2 -","- C176 H216 Ba4 N16 O8 -","4","1","","Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad","Synthesis and characterization of the heavy alkaline earth aryloxide congeners","Inorganica Chimica Acta","2013","394","","259","268","10.1016/j.ica.2012.07.019","","","0.71073","MoKα","","0.053","0.0395","","","0.1156","0.1288","","","","","","0.869","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512749","13.5933","0.0013","14.5727","0.0013","21.541","0.002","90","","99.648","0.001","90","","4206.7","0.7","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H57 Ba N3 O2 -","- C43 H57 Ba N3 O2 -","- C172 H228 Ba4 N12 O8 -","4","0.5","","Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad","Synthesis and characterization of the heavy alkaline earth aryloxide congeners","Inorganica Chimica Acta","2013","394","","259","268","10.1016/j.ica.2012.07.019","","","0.71073","MoKα","","0.0311","0.0288","","","0.087","0.0914","","","","","","0.805","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512750","21.457","0.005","12.344","0.003","25.909","0.006","90","","99.566","0.007","90","","6767","3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C64 H64.5 B2 F2 Fe N6 O7 S -","- C64 H64.5 B2 F2 Fe N6 O7 S -","- C256 H258 B8 F8 Fe4 N24 O28 S4 -","4","1","","Alexander S. Belov; Irina G. Belaya; Valentin V. Novikov; Zoya A. Starikova; Ernest V. Polshin; Alexander V. Dolganov; Ekaterina G. Lebed","Structure, spectral and electrochemical properties of the 2,6-di-tert-butylphenol-functionalized iron and cobalt(II) clathrochelates and their phenylsulfide analogs","Inorganica Chimica Acta","2013","394","","269","281","10.1016/j.ica.2012.08.014","","","0.71073","MoKα","","0.1816","0.0697","","","0.1406","0.1646","","","","","","0.994","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512751","14.37","0.004","15.159","0.005","30.681","0.008","80.973","0.007","89.983","0.005","61.829","0.005","5798","3","393","2","393","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H151 B2 Fe N6 O12 S6 -","- C99.5 H144 B2 Fe N6 O12 S6 -","- C199 H288 B4 Fe2 N12 O24 S12 -","2","1","","Alexander S. Belov; Irina G. Belaya; Valentin V. Novikov; Zoya A. Starikova; Ernest V. Polshin; Alexander V. Dolganov; Ekaterina G. Lebed","Structure, spectral and electrochemical properties of the 2,6-di-tert-butylphenol-functionalized iron and cobalt(II) clathrochelates and their phenylsulfide analogs","Inorganica Chimica Acta","2013","394","","269","281","10.1016/j.ica.2012.08.014","","","0.71073","MoKα","","0.154","0.0861","","","0.1839","0.2086","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512752","12.298","0.003","13.41","0.003","20.975","0.004","102.485","0.004","94.611","0.004","117.329","0.004","2935.3","1.1","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H54 B2 F2 Fe N6 O6 S2 -","- C66 H54 B2 F2 Fe N6 O6 S2 -","- C132 H108 B4 F4 Fe2 N12 O12 S4 -","2","1","","Alexander S. Belov; Irina G. Belaya; Valentin V. Novikov; Zoya A. Starikova; Ernest V. Polshin; Alexander V. Dolganov; Ekaterina G. Lebed","Structure, spectral and electrochemical properties of the 2,6-di-tert-butylphenol-functionalized iron and cobalt(II) clathrochelates and their phenylsulfide analogs","Inorganica Chimica Acta","2013","394","","269","281","10.1016/j.ica.2012.08.014","","","0.71073","MoKα","","0.2472","0.0781","","","0.0946","0.1151","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512753","11.062","0.005","13.024","0.005","13.025","0.005","98.31","0.005","95.226","0.005","95.226","0.005","1838.7","1.3","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H32 Mo O2 P2 S2 -","- C38 H28 Mo O2 P2 S2 -","- C76 H56 Mo2 O4 P4 S4 -","2","1","","Ana-Maria Valean; Santiago Gomez-Ruiz; Alexandru Lupan; Radu Silaghi-Dumitrescu; Luminita Silaghi-Dumitrescu; Evamarie Hey-Hawkins","Phosphinoarylthiolato molybdenum and iron complexes [M{(SC6H4-2-PPh2)-k2S,P}2(CO)2] (M = Mo, Fe): Analogous composition - Different structure","Inorganica Chimica Acta","2013","394","","289","294","10.1016/j.ica.2012.05.041","","","0.71073","MoKα","","0.0591","0.0328","","","0.0745","0.0827","","","","","","0.924","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512754","18.889","0.002","9.8572","0.0008","21.208","0.003","90","","112.074","0.013","90","","3659.3","0.8","130","2","130","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C42 H36 Fe O3 P2 S2 -","- C38 H28 Fe O2 P2 S2 -","- C152 H112 Fe4 O8 P8 S8 -","4","0.5","","Ana-Maria Valean; Santiago Gomez-Ruiz; Alexandru Lupan; Radu Silaghi-Dumitrescu; Luminita Silaghi-Dumitrescu; Evamarie Hey-Hawkins","Phosphinoarylthiolato molybdenum and iron complexes [M{(SC6H4-2-PPh2)-k2S,P}2(CO)2] (M = Mo, Fe): Analogous composition - Different structure","Inorganica Chimica Acta","2013","394","","289","294","10.1016/j.ica.2012.05.041","","","0.71073","MoKα","","0.0886","0.0414","","","0.1105","0.1233","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512755","10.4237","0.0013","31.98","0.006","6.6452","0.001","90","","97.858","0.011","90","","2194.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl2 N2 Ni O8 -","- C20 H22 Cl2 N2 Ni O8 -","- C80 H88 Cl8 N8 Ni4 O32 -","4","1","","Seyed Amir Zarei; AliAkbar Khandar; Masomeh Khatamian; Seyed Abolfazl Hosseini-Yazdi; Isabelle Dechamps; Emmanuel Guillon; Mohammad Piltan","Nickel(II) complexes with the macrocyclic schiff base ligand: Synthesis, spectroscopic studies, electrochemical behaviours and 1D supramolecular structure","Inorganica Chimica Acta","2013","394","","348","352","10.1016/j.ica.2012.08.017","","","0.71073","MoKα","","0.0761","0.0341","","","0.0666","0.0704","","","","","","0.813","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512756","8.114","0.004","13.482","0.009","20.271","0.01","94.56","0.02","90.96","0.02","100.58","0.02","2172","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Cl2 N2 Ni O4.75 -","- C20 H19.5 Cl2 N2 Ni O4.75 -","- C80 H78 Cl8 N8 Ni4 O19 -","4","2","","Seyed Amir Zarei; AliAkbar Khandar; Masomeh Khatamian; Seyed Abolfazl Hosseini-Yazdi; Isabelle Dechamps; Emmanuel Guillon; Mohammad Piltan","Nickel(II) complexes with the macrocyclic schiff base ligand: Synthesis, spectroscopic studies, electrochemical behaviours and 1D supramolecular structure","Inorganica Chimica Acta","2013","394","","348","352","10.1016/j.ica.2012.08.017","","","0.71069","MoKα","","0.0564","0.0517","","","0.1287","0.1321","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512757","22.334","0.001","6.746","0.001","7.597","0.001","90","","90","","90","","1144.6","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H20 Co2 N2 O12 -","- C18 H16 Co2 N2 O12 -","- C36 H32 Co4 N4 O24 -","2","0.5","","Maxim P. Yutkin; Marina S. Zavakhina; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin","Synthesis and characterization of expected and unexpected topologies of homochiral porous metal(II) malate frameworks","Inorganica Chimica Acta","2013","394","","367","372","10.1016/j.ica.2012.08.012","","x-ray","0.85","synchrotron","","0.0542","0.0492","","","0.1389","0.1413","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512758","22.186","0.001","6.731","0.001","7.575","0.001","90","","90","","90","","1131.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C18 H20 N2 Ni2 O12 -","- C18 H16 N2 Ni2 O12 -","- C36 H32 N4 Ni4 O24 -","2","0.5","","Maxim P. Yutkin; Marina S. Zavakhina; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin","Synthesis and characterization of expected and unexpected topologies of homochiral porous metal(II) malate frameworks","Inorganica Chimica Acta","2013","394","","367","372","10.1016/j.ica.2012.08.012","","x-ray","0.85","synchrotron","","0.0597","0.0575","","","0.1578","0.1604","","","","","","1.127","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512759","23.6987","0.0006","9.6879","0.0002","10.4569","0.0003","90","","90","","90","","2400.81","0.1","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H24 N2 Ni2 O13 -","- C20 H18 N2 Ni2 O13 -","- C80 H72 N8 Ni8 O52 -","4","1","","Maxim P. Yutkin; Marina S. Zavakhina; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin","Synthesis and characterization of expected and unexpected topologies of homochiral porous metal(II) malate frameworks","Inorganica Chimica Acta","2013","394","","367","372","10.1016/j.ica.2012.08.012","","x-ray","0.71073","MoKα","","0.026","0.0236","","","0.0701","0.0712","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512760","10.7831","0.0012","29.07","0.003","9.0339","0.001","90","","104.224","0.001","90","","2745","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 N O P Pd S -","- C35 H26 N O P Pd S -","- C140 H104 N4 O4 P4 Pd4 S4 -","4","1","","Manoharan Muthu Tamizh; Benjamin F.T. Cooper; Charles L.B. Macdonald; Ramasamy Karvembu","Palladium(II) complexes with salicylideneimine based tridentate ligand and triphenylphosphine: Synthesis, structure and catalytic activity in Suzuki-Miyaura cross coupling reactions","Inorganica Chimica Acta","2013","394","","391","400","10.1016/j.ica.2012.08.024","","","0.71073","MoKα","","0.0269","0.0239","","","0.0598","0.0614","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512761","9.0411","0.0015","10.1247","0.0017","14.784","0.002","101.249","0.002","92.357","0.002","96.148","0.002","1317","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H24 N O P Pd S -","- C31 H24 N O P Pd S -","- C62 H48 N2 O2 P2 Pd2 S2 -","2","1","","Manoharan Muthu Tamizh; Benjamin F.T. Cooper; Charles L.B. Macdonald; Ramasamy Karvembu","Palladium(II) complexes with salicylideneimine based tridentate ligand and triphenylphosphine: Synthesis, structure and catalytic activity in Suzuki-Miyaura cross coupling reactions","Inorganica Chimica Acta","2013","394","","391","400","10.1016/j.ica.2012.08.024","","","0.71073","MoKα","","0.0449","0.0341","","","0.0718","0.0767","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512762","9.0028","0.0007","12.1482","0.0009","14.1443","0.0011","73.748","0.001","84.546","0.001","70.221","0.001","1397.5","0.19","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 N O P Pd S -","- C32 H26 N O P Pd S -","- C64 H52 N2 O2 P2 Pd2 S2 -","2","1","","Manoharan Muthu Tamizh; Benjamin F.T. Cooper; Charles L.B. Macdonald; Ramasamy Karvembu","Palladium(II) complexes with salicylideneimine based tridentate ligand and triphenylphosphine: Synthesis, structure and catalytic activity in Suzuki-Miyaura cross coupling reactions","Inorganica Chimica Acta","2013","394","","391","400","10.1016/j.ica.2012.08.024","","","0.71073","MoKα","","0.058","0.0446","","","0.1016","0.1074","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512763","11.3556","0.0006","21.8575","0.001","10.3486","0.0004","90","","113.159","0.005","90","","2361.6","0.2","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl2 N7 S2 Zn -","- C20 H30 Cl2 N7 S2 Zn -","- C80 H120 Cl8 N28 S8 Zn4 -","4","1","","John R. Miecznikowski; Jerry P. Jasinski; Matthew A. Lynn; Swapan S. Jain; Elizabeth E. Butrick; Anne Elise R. Drozdoski; Kerry A. Archer; Jason T. Panarra","Synthesis, characterization, density functional theory calculations, and activity of a thione-containing NNN-bound zinc pincer complex based on a bis-triazole precursor","Inorganica Chimica Acta","2013","394","","310","321","10.1016/j.ica.2012.07.009","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512764","20.587","0.012","12.266","0.007","21.779","0.012","90","","110.162","0.016","90","","5163","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H52 Cl4 Cu2 N8 O20 -","- C46 H52 Cl4 Cu2 N8 O20 -","- C184 H208 Cl16 Cu8 N32 O80 -","4","0.5","","Anna Jozwiuk; Zhaodong Wang; Douglas R. Powell; Robert P. Houser","Copper(II) complexes of symmetric and asymmetric bis(imine) ligands: Tuning the Cu(I)/Cu(II) redox couple","Inorganica Chimica Acta","2013","394","","415","422","10.1016/j.ica.2012.08.026","","","0.71073","MoKα","","0.0677","0.0456","","","0.1027","0.1118","","","","","","1.001","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512765","9.183","0.004","10.365","0.004","12.064","0.005","88.416","0.008","84.424","0.01","85.125","0.012","1138.5","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cl2 Cu N5 O8 -","- C21 H21 Cl2 Cu N5 O8 -","- C42 H42 Cl4 Cu2 N10 O16 -","2","1","","Anna Jozwiuk; Zhaodong Wang; Douglas R. Powell; Robert P. Houser","Copper(II) complexes of symmetric and asymmetric bis(imine) ligands: Tuning the Cu(I)/Cu(II) redox couple","Inorganica Chimica Acta","2013","394","","415","422","10.1016/j.ica.2012.08.026","","","0.71073","MoKα","","0.0777","0.0553","","","0.1248","0.1359","","","","","","1.001","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512766","6.8027","0.0004","27.7694","0.0017","10.3788","0.0006","90","","96.079","0.003","90","","1949.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 O5 Zn -","- C19 H19 N3 O5 Zn -","- C76 H76 N12 O20 Zn4 -","4","1","","Nithi Phukan; Jubaraj B. Baruah","Hydrolysis of 4-(4-oxopentan-2-ylideneamino)benzoic acid and in-situ formation of nickel(II), zinc(II) and cadmium(II) complexes of 4-aminobenzoic acid","Inorganica Chimica Acta","2013","394","","430","435","10.1016/j.ica.2012.09.005","","","0.71073","MoKα","","0.0468","0.0372","","","0.0947","0.0988","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512767","6.7822","0.0003","18.1737","0.0009","10.6188","0.0005","90","","97.332","0.002","90","","1298.15","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H32 N2 Ni O14 -","- C18 H32 N2 Ni0.998 O14 -","- C36 H64 N4 Ni1.996 O28 -","2","0.5","","Nithi Phukan; Jubaraj B. Baruah","Hydrolysis of 4-(4-oxopentan-2-ylideneamino)benzoic acid and in-situ formation of nickel(II), zinc(II) and cadmium(II) complexes of 4-aminobenzoic acid","Inorganica Chimica Acta","2013","394","","430","435","10.1016/j.ica.2012.09.005","","","0.71073","MoKα","","0.0385","0.0357","","","0.1008","0.1031","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512768","16.5956","0.0004","16.5956","0.0004","14.3508","0.0008","90","","90","","120","","3422.9","0.2","298","2","298","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C15 H18 Mg N2 O8 -","- C15 H18 Mg N2 O8 -","- C90 H108 Mg6 N12 O48 -","6","0.5","","Paul J. Calderone; Debasis Banerjee; Anna M. Plonka; Sun Jin Kim; John B. Parise","Temperature dependent structure formation and photoluminescence studies of a series of magnesium-based coordination networks","Inorganica Chimica Acta","2013","394","","452","458","10.1016/j.ica.2012.08.033","","","0.71073","MoKα","","0.0892","0.0617","","","0.1669","0.1834","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512769","16.5956","0.0004","16.5956","0.0004","14.3508","0.0008","90","","90","","120","","3422.9","0.2","293","2","298","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C18.67 H21 Mg N3 O8 -","- C18.74 H21 Mg N2.99 O8 -","- C112.44 H126 Mg6 N17.94 O48 -","6","0.5","","Paul J. Calderone; Debasis Banerjee; Anna M. Plonka; Sun Jin Kim; John B. Parise","Temperature dependent structure formation and photoluminescence studies of a series of magnesium-based coordination networks","Inorganica Chimica Acta","2013","394","","452","458","10.1016/j.ica.2012.08.033","","","0.71073","MoKα","","0.0956","0.0643","","","0.1783","0.2071","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512770","13.9275","0.0012","13.9275","0.0012","8.025","0.0006","90","","90","","120","","1348.1","0.19","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C7 H9 Mg N O5 -","- C7 H9 Mg N O5 -","- C42 H54 Mg6 N6 O30 -","6","1","","Paul J. Calderone; Debasis Banerjee; Anna M. Plonka; Sun Jin Kim; John B. Parise","Temperature dependent structure formation and photoluminescence studies of a series of magnesium-based coordination networks","Inorganica Chimica Acta","2013","394","","452","458","10.1016/j.ica.2012.08.033","","","0.41328","synchrotron","","0.0742","0.0511","","","0.1465","0.1724","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512771","17.49","0.004","11.94","0.002","18.46","0.004","90","","116.87","0.03","90","","3438.8","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Mg3 N4 O16 -","- C30 H34 Mg3 N4 O16 -","- C120 H136 Mg12 N16 O64 -","4","1","","Paul J. Calderone; Debasis Banerjee; Anna M. Plonka; Sun Jin Kim; John B. Parise","Temperature dependent structure formation and photoluminescence studies of a series of magnesium-based coordination networks","Inorganica Chimica Acta","2013","394","","452","458","10.1016/j.ica.2012.08.033","","","0.71073","MoKα","","0.0586","0.0428","","","0.1124","0.1229","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512772","19.5826","0.0003","26.8725","0.0007","34.9729","0.0008","90","","90","","90","","18403.9","0.7","295","2","295","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C8 H17.5 K La N8 O8.75 Pt2 -","- C8 K La N8 O8.75 Pt2 -","- C256 K32 La32 N256 O280 Pt64 -","32","2","","Nicholas J. Robinson; Philip A. Smith; Sabrina Grant; Kendra Whitehead; Carlos Crawford; Zerihun Assefa; Richard E. Sykora","Novel tetracyanoplatinates with the larger Ln3+ ions: Synthesis, structures, and photoluminescence properties of KLn[Pt(CN)4]2.8.75H2O (Ln = La, Pr, Nd)","Inorganica Chimica Acta","2013","394","","459","465","10.1016/j.ica.2012.08.031","","","0.71073","MoKα","","0.03","0.0217","","","0.0494","0.0503","","","","","","1.064","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512773","19.4281","0.0004","26.8587","0.0007","34.727","0.0007","90","","90","","90","","18121","0.7","295","2","295","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C8 H17.5 K N8 Nd O8.75 Pt2 -","- C8 K N8 Nd O8.75 Pt2 -","- C256 K32 N256 Nd32 O280 Pt64 -","32","2","","Nicholas J. Robinson; Philip A. Smith; Sabrina Grant; Kendra Whitehead; Carlos Crawford; Zerihun Assefa; Richard E. Sykora","Novel tetracyanoplatinates with the larger Ln3+ ions: Synthesis, structures, and photoluminescence properties of KLn[Pt(CN)4]2.8.75H2O (Ln = La, Pr, Nd)","Inorganica Chimica Acta","2013","394","","459","465","10.1016/j.ica.2012.08.031","","","0.71073","MoKα","","0.0472","0.0308","","","0.0593","0.0613","","","","","","0.965","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512774","19.4498","0.0004","26.8572","0.0007","34.812","0.0008","90","","90","","90","","18184.6","0.7","295","2","295","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C8 H17.5 K N8 O8.75 Pr Pt2 -","- C8 K N8 O8.75 Pr Pt2 -","- C256 K32 N256 O280 Pr32 Pt64 -","32","2","","Nicholas J. Robinson; Philip A. Smith; Sabrina Grant; Kendra Whitehead; Carlos Crawford; Zerihun Assefa; Richard E. Sykora","Novel tetracyanoplatinates with the larger Ln3+ ions: Synthesis, structures, and photoluminescence properties of KLn[Pt(CN)4]2.8.75H2O (Ln = La, Pr, Nd)","Inorganica Chimica Acta","2013","394","","459","465","10.1016/j.ica.2012.08.031","","","0.71073","MoKα","","0.0302","0.0214","","","0.0392","0.0401","","","","","","0.919","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512775","11.186","0.002","7.8121","0.0014","12.71","0.002","90","","117.012","0.014","90","","989.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Ag2 O7 S -","- C8 H4 Ag2 O7 S -","- C32 H16 Ag8 O28 S4 -","4","1","","Jie Wang; Jin-Min Cai; Ai-Yin Wang; Bi-Feng Huang; Hong-Ping Xiao; Xin-Hua Li; Ali Morsali","Synthesis, crystal structures and photoluminescence properties of two silver(I) coordination polymers with nano size channels based on 2-sulfoterephthalic acid ligand","Inorganica Chimica Acta","2013","394","","466","471","10.1016/j.ica.2012.08.029","","","0.71073","MoKα","","0.0204","0.0197","","","0.0661","0.0666","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512776","13.5508","0.001","7.02","0.0005","12.2693","0.0009","90","","108.574","0.002","90","","1106.34","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Ag3 O8 S -","- C8 H5 Ag3 O8 S -","- C32 H20 Ag12 O32 S4 -","4","1","","Jie Wang; Jin-Min Cai; Ai-Yin Wang; Bi-Feng Huang; Hong-Ping Xiao; Xin-Hua Li; Ali Morsali","Synthesis, crystal structures and photoluminescence properties of two silver(I) coordination polymers with nano size channels based on 2-sulfoterephthalic acid ligand","Inorganica Chimica Acta","2013","394","","466","471","10.1016/j.ica.2012.08.029","","","0.71073","MoKα","","0.0417","0.0394","","","0.1088","0.1105","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512777","12.7036","0.0009","23.773","0.002","13.5624","0.0009","90","","106.322","0.007","90","","3930.8","0.5","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C42 H42 B F4 N O2 P2 Pt -","- C42 H42 B F4 N O2 P2 Pt -","- C168 H168 B4 F16 N4 O8 P8 Pt4 -","4","2","","Sangeeta Roy Chaudhuri; Goran N. Kaluderovic; Martin Bette; Jurgen Schmidt; Harry Schmidt; Reinhard Paschke; Dirk Steinborn","Synthesis, characterization and cytotoxicity studies of platinum(II) complexes with amino acid ligands in various coordination modes","Inorganica Chimica Acta","2013","394","","472","480","10.1016/j.ica.2012.08.034","","","0.71073","MoKα","","0.0425","0.0324","","","0.0649","0.0676","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512778","26.94","0.004","7.3179","0.0011","7.754","0.0012","90","","100.82","0.02","90","","1501.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C28 H24 Co2 N8 O10 -","- C28 H24 Co2 N8 O10 -","- C56 H48 Co4 N16 O20 -","2","0.25","","Xiu-Mei Zhang; Dan-Dan Ding; Wei Gao; Jie-Ping Liu","Structures and magnetism of metal(II) compounds with mixed azide and carboxylate bridges derived from zwitterionic dicarboxylate ligands","Inorganica Chimica Acta","2013","394","","494","500","10.1016/j.ica.2012.09.004","","","0.71073","MoKα","","0.0474","0.037","","","0.0626","0.0635","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512779","9.334","0.006","29.102","0.018","7.702","0.005","90","","108.395","0.009","90","","1985","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cu3 N14 O14 -","- C28 H20 Cu3 N14 O15 -","- C56 H40 Cu6 N28 O30 -","2","0.5","","Xiu-Mei Zhang; Dan-Dan Ding; Wei Gao; Jie-Ping Liu","Structures and magnetism of metal(II) compounds with mixed azide and carboxylate bridges derived from zwitterionic dicarboxylate ligands","Inorganica Chimica Acta","2013","394","","494","500","10.1016/j.ica.2012.09.004","","","0.71073","MoKα","","0.1233","0.0557","","","0.1468","0.1715","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512780","22.202","0.002","22.202","0.002","4.3536","0.0009","90","","90","","120","","1858.5","0.5","98","2","98","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C18 H12 Co3 N15 O4 P -","- C18 H12 Co3 N15 O4 P -","- C54 H36 Co9 N45 O12 P3 -","3","0.333333","","Kari Darling; Jon Zubieta","Solid state coordination chemistry of metal-azolate compounds: Structural consequences of incorporation of phosphate components in the Co(II)/4-pyridyltetrazolate/phosphate system","Inorganica Chimica Acta","2013","394","","512","518","10.1016/j.ica.2012.08.030","","","0.71073","MoKα","","0.0639","0.0542","","","0.1444","0.1477","","","","","","1.084","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512781","6.9683","0.0008","14.1302","0.0016","22.426","0.003","90","","90","","90","","2208.1","0.5","98","2","98","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H18 Co3 N10 O12 P2 -","- C12 H18 Co3 N10 O12 P2 -","- C48 H72 Co12 N40 O48 P8 -","4","0.5","","Kari Darling; Jon Zubieta","Solid state coordination chemistry of metal-azolate compounds: Structural consequences of incorporation of phosphate components in the Co(II)/4-pyridyltetrazolate/phosphate system","Inorganica Chimica Acta","2013","394","","512","518","10.1016/j.ica.2012.08.030","","","0.71073","MoKα","","0.0373","0.0302","","","0.0762","0.0824","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512782","10.5279","0.0002","10.7966","0.0003","14.6437","0.0002","108.483","0.001","91.926","0.002","100.925","0.001","1542.15","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37.42 H34.27 Ag Br0 N5.32 O1.93 -","- C36.776 H34.249 Ag N5 O1.416 -","- C73.552 H68.498 Ag2 N10 O2.832 -","2","1","","Rosenani A. Haque; Mohammed Z. Ghdhayeb; Srinivasa Budagumpi; Abbas Washeel Salman; Mohamed B. Khadeer Ahamed; Amin Malik Shah Abdul Majid","Non-symmetrically substituted N-heterocyclic carbene-Ag(I) complexes of benzimidazol-2-ylidenes: Synthesis, crystal structures, anticancer activity and transmetallation studies","Inorganica Chimica Acta","2013","394","","519","525","10.1016/j.ica.2012.09.013","","","0.71073","MoKα","","0.1041","0.0894","","","0.2096","0.2182","","","","","","1.318","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512783","12.3083","0.0004","13.0893","0.0005","13.5459","0.0004","115.974","0.002","102.26","0.002","103.788","0.002","1775.58","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H45 Ag N4 O1.5 -","- C39 H45.0012 Ag N4 O1.5 -","- C78 H90.0024 Ag2 N8 O3 -","2","1","","Rosenani A. Haque; Mohammed Z. Ghdhayeb; Srinivasa Budagumpi; Abbas Washeel Salman; Mohamed B. Khadeer Ahamed; Amin Malik Shah Abdul Majid","Non-symmetrically substituted N-heterocyclic carbene-Ag(I) complexes of benzimidazol-2-ylidenes: Synthesis, crystal structures, anticancer activity and transmetallation studies","Inorganica Chimica Acta","2013","394","","519","525","10.1016/j.ica.2012.09.013","","","0.71073","MoKα","","0.0679","0.0563","","","0.1673","0.1771","","","","","","1.085","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512784","7.0382","0.0004","11.8525","0.0009","16.5558","0.0014","72.713","0.007","81.211","0.006","74.883","0.006","1268.81","0.17","173","","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C25 H25.26 Cu N6 O7.63 -","- C25 H24 Cu N6 O7.63 -","- C50 H48 Cu2 N12 O15.26 -","2","1","","Hassan Hosseini-Monfared; Hannaneh Falakian; Rahman Bikas; Peter Mayer","Intramolecular hydrogen bond effect on keto-enolization of aroylhydrazone in copper(II) complexes","Inorganica Chimica Acta","2013","394","","526","534","10.1016/j.ica.2012.08.022","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512785","7.899","0.0001","14.0172","0.0003","17.3344","0.0003","75.5","0.0011","77.3459","0.0011","85.3559","0.0008","1812.34","0.06","173","","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C37 H32 Cu2 N8 O11 -","- C37 H32 Cu2 N8 O11 -","- C74 H64 Cu4 N16 O22 -","2","1","","Hassan Hosseini-Monfared; Hannaneh Falakian; Rahman Bikas; Peter Mayer","Intramolecular hydrogen bond effect on keto-enolization of aroylhydrazone in copper(II) complexes","Inorganica Chimica Acta","2013","394","","526","534","10.1016/j.ica.2012.08.022","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512786","13.1801","0.0005","15.175","0.0006","16.0452","0.0006","106.596","0.0019","106.734","0.002","107.099","0.0019","2686.3","0.2","173","","","","","","","","","","see text","5","P -1","-P 1","2","","","","- C18 H13 Cu N5 O7 -","- C18 H13 Cu N5 O7 -","- C108 H78 Cu6 N30 O42 -","6","3","","Hassan Hosseini-Monfared; Hannaneh Falakian; Rahman Bikas; Peter Mayer","Intramolecular hydrogen bond effect on keto-enolization of aroylhydrazone in copper(II) complexes","Inorganica Chimica Acta","2013","394","","526","534","10.1016/j.ica.2012.08.022","","x-ray","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1512787","7.5246","0.0007","9.0423","0.0008","20.3129","0.0018","84.157","0.001","87.076","0.002","65.54","0.001","1251.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H27 Cl2 N5 O2 Zn -","- C25 H27 Cl2 N5 O2 Zn -","- C50 H54 Cl4 N10 O4 Zn2 -","2","1","","Hong Gyu Lee; Ju Hoon Lee; Seung Pyo Jang; In Hong Hwang; Sung-Jin Kim; Youngmee Kim; Cheal Kim; Roger G. Harrison","Zinc selective chemosensors based on the flexible dipicolylamine and quinoline","Inorganica Chimica Acta","2013","394","","542","551","10.1016/j.ica.2012.09.009","","","0.71073","MoKα","","0.0468","0.0361","","","0.0833","0.0856","","","","","","0.932","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512788","12.3072","0.0018","13.6258","0.0019","14.514","0.002","90","","107.372","0.002","90","","2322.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 Cl N5 O6 Zn -","- C23 H22 Cl N5 O6 Zn -","- C92 H88 Cl4 N20 O24 Zn4 -","4","1","","Hong Gyu Lee; Ju Hoon Lee; Seung Pyo Jang; In Hong Hwang; Sung-Jin Kim; Youngmee Kim; Cheal Kim; Roger G. Harrison","Zinc selective chemosensors based on the flexible dipicolylamine and quinoline","Inorganica Chimica Acta","2013","394","","542","551","10.1016/j.ica.2012.09.009","","","0.71073","MoKα","","0.1337","0.0793","","","0.1985","0.2464","","","","","","0.925","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512789","9.0792","0.0012","10.5728","0.0015","13.673","0.0018","98.742","0.003","103.224","0.002","104.426","0.002","1206.6","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N6 O7 Zn -","- C24 H22 N6 O7 Zn -","- C48 H44 N12 O14 Zn2 -","2","1","","Hong Gyu Lee; Ju Hoon Lee; Seung Pyo Jang; In Hong Hwang; Sung-Jin Kim; Youngmee Kim; Cheal Kim; Roger G. Harrison","Zinc selective chemosensors based on the flexible dipicolylamine and quinoline","Inorganica Chimica Acta","2013","394","","542","551","10.1016/j.ica.2012.09.009","","","0.71073","MoKα","","0.0618","0.0422","","","0.0919","0.0974","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512790","8.7622","0.0002","11.1757","0.0002","11.865","0.0002","90","","105.214","0.002","90","","1121.14","0.04","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cr2 N14 O4 -","- C16 H20 Cr2 N13.164 O4 -","- C32 H40 Cr4 N26.328 O8 -","2","0.5","","B. Shaabani; A.A. Khandar; M. Dusek; M. Pojarova; F. Mahmoudi","Synthesis, crystal structure, antimicrobial activity and electrochemistry study of chromium(III) and copper(II) complexes based on semicarbazone Schiff base and azide ligands","Inorganica Chimica Acta","2013","394","","563","568","10.1016/j.ica.2012.08.027","","","1.54178","CuKα","","0.0625","0.0565","","0.0896","0.0852","0.0896","","","","","","1.3138","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512791","10.52999","0.00014","11.13677","0.00015","8.09356","0.00012","90","","99.9107","0.0014","90","","934.97","0.02","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cu N7 O -","- C7 H7 Cu N7 O -","- C28 H28 Cu4 N28 O4 -","4","1","","B. Shaabani; A.A. Khandar; M. Dusek; M. Pojarova; F. Mahmoudi","Synthesis, crystal structure, antimicrobial activity and electrochemistry study of chromium(III) and copper(II) complexes based on semicarbazone Schiff base and azide ligands","Inorganica Chimica Acta","2013","394","","563","568","10.1016/j.ica.2012.08.027","","","1.5418","CuKα","","0.0303","0.0279","","","0.0755","0.0773","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512792","9.076","0.0018","24.935","0.005","10.639","0.002","90","","98.86","0.03","90","","2379","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl2 N3 O Zn -","- C16 H11 Cl2 N3 O Zn -","- C64 H44 Cl8 N12 O4 Zn4 -","4","1","","Juanjuan Xia; Zihong Zhou; Wen Li; Hu-Qin Zhang; Carl Redshaw; Wen-Hua Sun","Synthesis, structure and fluorescent properties of 2-(1H-benzoimidazol-2-yl)quinolin-8-ol ligands and their zinc complexes","Inorganica Chimica Acta","2013","394","","569","575","10.1016/j.ica.2012.09.012","","","0.71073","MoKα","","","0.0802","","","0.2192","0.2307","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512793","10.21","0.002","11.156","0.002","15.065","0.003","94.4","0.03","109.2","0.03","101.05","0.03","1572.3","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl0 N6 O2 Zn -","- C36 H28 N6 O2 Zn -","- C72 H56 N12 O4 Zn2 -","2","1","","Juanjuan Xia; Zihong Zhou; Wen Li; Hu-Qin Zhang; Carl Redshaw; Wen-Hua Sun","Synthesis, structure and fluorescent properties of 2-(1H-benzoimidazol-2-yl)quinolin-8-ol ligands and their zinc complexes","Inorganica Chimica Acta","2013","394","","569","575","10.1016/j.ica.2012.09.012","","","0.71073","MoKα","","","0.0551","","","0.1573","0.1636","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512794","10.5098","0.0009","14.7423","0.0013","14.9092","0.0013","110.766","0.001","91.2","0.001","101.075","0.001","2109.7","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Cd N6 O6 S4 -","- C44 H32 Cd N6 O6 S4 -","- C88 H64 Cd2 N12 O12 S8 -","2","1","","Bin Hu; Qian-Qian Liu; Tao Tao, Kun Zhang; Jiao Geng, Wei Huang","Variation of cis/trans configuration of 3,8-dithiophen and 3,8-di-3-methylthiophen-substituted 1,10-phenanthroline in their cadmium(II) nitrate complexes originating from substituent and anionic effects","Inorganica Chimica Acta","2013","394","","576","582","10.1016/j.ica.2012.09.029","","","0.71073","MoKα","","0.0844","0.0565","","","0.1284","0.1417","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512795","18.51","0.003","13.141","0.002","17.19","0.003","90","","121.296","0.002","90","","3572.9","1","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 Cd N6 O6 S4 -","- C40 H24 Cd N6 O6 S4 -","- C160 H96 Cd4 N24 O24 S16 -","4","0.5","","Bin Hu; Qian-Qian Liu; Tao Tao, Kun Zhang; Jiao Geng, Wei Huang","Variation of cis/trans configuration of 3,8-dithiophen and 3,8-di-3-methylthiophen-substituted 1,10-phenanthroline in their cadmium(II) nitrate complexes originating from substituent and anionic effects","Inorganica Chimica Acta","2013","394","","576","582","10.1016/j.ica.2012.09.029","","","0.71073","MoKα","","0.066","0.0427","","","0.0979","0.1085","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512796","11.25","0.002","15.991","0.003","22.764","0.005","90","","94.731","0.003","90","","4081.3","1.4","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Br2 Cd N4 S4 -","- C44 H32 Br2 Cd N4 S4 -","- C176 H128 Br8 Cd4 N16 S16 -","4","1","","Bin Hu; Qian-Qian Liu; Tao Tao, Kun Zhang; Jiao Geng, Wei Huang","Variation of cis/trans configuration of 3,8-dithiophen and 3,8-di-3-methylthiophen-substituted 1,10-phenanthroline in their cadmium(II) nitrate complexes originating from substituent and anionic effects","Inorganica Chimica Acta","2013","394","","576","582","10.1016/j.ica.2012.09.029","","","0.71073","MoKα","","0.1099","0.0588","","","0.1379","0.1565","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512797","9.9952","0.0008","13.0842","0.0011","14.4591","0.0012","104.903","0.002","94.085","0.001","105.041","0.001","1745.3","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 Cd Cl2 N4 S4 -","- C40 H24 Cd Cl2 N4 S4 -","- C80 H48 Cd2 Cl4 N8 S8 -","2","1","","Bin Hu; Qian-Qian Liu; Tao Tao, Kun Zhang; Jiao Geng, Wei Huang","Variation of cis/trans configuration of 3,8-dithiophen and 3,8-di-3-methylthiophen-substituted 1,10-phenanthroline in their cadmium(II) nitrate complexes originating from substituent and anionic effects","Inorganica Chimica Acta","2013","394","","576","582","10.1016/j.ica.2012.09.029","","","0.71073","MoKα","","0.091","0.0699","","","0.1863","0.2018","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512798","11.22","0.003","16.927","0.004","30.679","0.008","90","","90","","90","","5827","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H27 Cl2 N4 P Ru S -","- C29 H27 Cl2 N4 P Ru S -","- C232 H216 Cl16 N32 P8 Ru8 S8 -","8","1","","Mahendra Sekhar Jana; Ajoy Kumar Pramanik; Subhankar Kundu; Deblina Sarkar; Subrata Jana; Tapan Kumar Mondal","Synthesis, X-ray structure, spectroscopic and DFT study of cis-[Ru(PPh3)(L)X2] complexes (X = Cl-, Br-, I- and NCS-) (L = 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole","Inorganica Chimica Acta","2013","394","","583","590","10.1016/j.ica.2012.09.011","","","0.71073","MoKα","","0.084","0.0568","","","0.109","0.1217","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512799","11.3207","0.0002","17.7526","0.0004","30.2606","0.0006","90","","90","","90","","6081.5","0.2","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H27 I2 N4 P Ru S -","- C29 H27 I2 N4 P Ru S -","- C232 H216 I16 N32 P8 Ru8 S8 -","8","1","","Mahendra Sekhar Jana; Ajoy Kumar Pramanik; Subhankar Kundu; Deblina Sarkar; Subrata Jana; Tapan Kumar Mondal","Synthesis, X-ray structure, spectroscopic and DFT study of cis-[Ru(PPh3)(L)X2] complexes (X = Cl-, Br-, I- and NCS-) (L = 1-methyl-2-{(o-thiomethyl)phenylazo}imidazole","Inorganica Chimica Acta","2013","394","","583","590","10.1016/j.ica.2012.09.011","","","0.71073","MoKα","","0.0817","0.0621","","","0.1633","0.1787","","","","","","1.171","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512800","17.2447","0.0007","18.3843","0.0007","19.594","0.0011","89.386","0.004","64.026","0.005","85.321","0.003","5563.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H56 Cl N P4 Ru -","- C67 H56 Cl N P4 Ru -","- C268 H224 Cl4 N4 P16 Ru4 -","4","2","","S.S. Chavan; B.G. Bharate","Heterobimetallic M(II)/Ru(II) (M = Ni, Zn) complexes containing coordination and organometallic sites: Synthesis, characterization, luminescence and NLO properties","Inorganica Chimica Acta","2013","394","","598","604","10.1016/j.ica.2012.09.018","","","0.71073","MoKα","","0.054","0.0396","","","0.0966","0.1085","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512801","19.749","0.005","7.474","0.004","14.628","0.005","90","","109.48","0.005","90","","2035.6","1.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N6 Ni S2 -","- C18 H20 N6 Ni S2 -","- C72 H80 N24 Ni4 S8 -","4","0.5","","Tarlok S. Lobana; Poonam Kumari; Geeta Hundal; Ray J. Butcher; A. Castineiras; Takashiro Akitsu","Metal derivatives of N1-substituted thiosemicarbazones: Synthesis, structures and spectroscopy of nickel(II) and cobalt(III) complexes","Inorganica Chimica Acta","2013","394","","605","615","10.1016/j.ica.2012.09.021","","","0.71069","MoKα","","0.0657","0.0463","","","0.1201","0.1267","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512802","9.4471","0.0005","10.7504","0.0006","12.636","0.0006","84.357","0.002","75.071","0.002","84.48","0.002","1230.63","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 N6 Ni S2 -","- C28 H24 N6 Ni S2 -","- C56 H48 N12 Ni2 S4 -","2","1","","Tarlok S. Lobana; Poonam Kumari; Geeta Hundal; Ray J. Butcher; A. Castineiras; Takashiro Akitsu","Metal derivatives of N1-substituted thiosemicarbazones: Synthesis, structures and spectroscopy of nickel(II) and cobalt(III) complexes","Inorganica Chimica Acta","2013","394","","605","615","10.1016/j.ica.2012.09.021","","","0.71073","MoKα","","0.0505","0.0343","","","0.0696","0.0779","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512803","19.444","0.002","8.8288","0.001","24.684","0.003","90","","95.098","0.002","90","","4220.7","0.8","128","","128","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H44 N6 Ni2 O2 P2 S2 -","- C45 H44 N6 Ni2 O2 P2 S2 -","- C180 H176 N24 Ni8 O8 P8 S8 -","4","0.5","","Tarlok S. Lobana; Poonam Kumari; Geeta Hundal; Ray J. Butcher; A. Castineiras; Takashiro Akitsu","Metal derivatives of N1-substituted thiosemicarbazones: Synthesis, structures and spectroscopy of nickel(II) and cobalt(III) complexes","Inorganica Chimica Acta","2013","394","","605","615","10.1016/j.ica.2012.09.021","","","0.71073","MoKα","","0.0428","0.034","","","0.1038","0.1133","","","","","","0.829","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512804","12.0067","0.0014","10.2385","0.0014","27.191","0.004","90","","100.801","0.016","90","","3283.4","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 N3 Ni O P2 S -","- C36 H35 N3 Ni O P2 S -","- C144 H140 N12 Ni4 O4 P8 S4 -","4","1","","Tarlok S. Lobana; Poonam Kumari; Geeta Hundal; Ray J. Butcher; A. Castineiras; Takashiro Akitsu","Metal derivatives of N1-substituted thiosemicarbazones: Synthesis, structures and spectroscopy of nickel(II) and cobalt(III) complexes","Inorganica Chimica Acta","2013","394","","605","615","10.1016/j.ica.2012.09.021","","","0.71073","MoKα","","0.1231","0.0645","","","0.1445","0.1577","","","","","","0.908","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512805","21.1581","0.0004","6.06815","0.00013","16.8447","0.0003","90","","90.8295","0.0017","90","","2162.47","0.07","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N4 Ni O S -","- C25 H20 N4 Ni O S -","- C100 H80 N16 Ni4 O4 S4 -","4","1","","Tarlok S. Lobana; Poonam Kumari; Geeta Hundal; Ray J. Butcher; A. Castineiras; Takashiro Akitsu","Metal derivatives of N1-substituted thiosemicarbazones: Synthesis, structures and spectroscopy of nickel(II) and cobalt(III) complexes","Inorganica Chimica Acta","2013","394","","605","615","10.1016/j.ica.2012.09.021","","","0.71073","MoKα","","0.0624","0.0424","","","0.0901","0.0988","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512806","10.7381","0.0012","29.112","0.003","9.9919","0.0012","90","","114.963","0.002","90","","2831.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Co N9 O S6 -","- C21 H26 Co N9 O S6 -","- C84 H104 Co4 N36 O4 S24 -","4","1","","Tarlok S. Lobana; Poonam Kumari; Geeta Hundal; Ray J. Butcher; A. Castineiras; Takashiro Akitsu","Metal derivatives of N1-substituted thiosemicarbazones: Synthesis, structures and spectroscopy of nickel(II) and cobalt(III) complexes","Inorganica Chimica Acta","2013","394","","605","615","10.1016/j.ica.2012.09.021","","","0.71073","MoKα","","0.0525","0.0365","","","0.0793","0.0856","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512807","8.568","0.003","11.384","0.004","11.696","0.004","90","","96.06","0.04","90","","1134.4","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N4 O11 V2 -","- C20 H20 N4 O11 V2 -","- C40 H40 N8 O22 V4 -","2","1","","Grzegorz Romanowski; Tadeusz Lis","Chiral oxidovanadium(V) complexes with tridentate Schiff bases derived from S(+)-2-amino-1-propanol: Synthesis, structure, characterization and catalytic activity","Inorganica Chimica Acta","2013","394","","627","634","10.1016/j.ica.2012.09.030","","","1.5418","CuKα","","0.0321","0.029","","","0.0731","0.0743","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512808","10.237","0.0009","11.2579","0.0009","22.1898","0.0019","90","","97.27","0.001","90","","2536.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9.33 H12 Eu1.33 N2.67 O11.33 -","- C9.33333 H12 Eu1.33333 N2.66667 O11.3333 -","- C56 H72 Eu8 N16 O68 -","6","1.5","","Xun Feng; Li-Li Zhou; Li-Ya Wang; Jian-Guo Zhou; Zhi-Qiang Shi; Jing-Jing Shang","Two unique lanthanideorganic frameworks based on 1H-2-methyl-4,5-imidazole-dicarboxylate and oxalate: Crystal structure, luminescence and magnetic properties","Inorganica Chimica Acta","2013","394","","696","702","10.1016/j.ica.2012.09.024","","","0.71073","MoKα","","0.0251","0.0226","","","0.0564","0.0575","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512809","10.275","0.0005","11.2876","0.0006","22.2272","0.0011","90","","97.321","0.001","90","","2556.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 N8 O38 Sm4 -","- C28 H44 N8 O38 Sm4 -","- C56 H88 N16 O76 Sm8 -","2","0.5","","Xun Feng; Li-Li Zhou; Li-Ya Wang; Jian-Guo Zhou; Zhi-Qiang Shi; Jing-Jing Shang","Two unique lanthanideorganic frameworks based on 1H-2-methyl-4,5-imidazole-dicarboxylate and oxalate: Crystal structure, luminescence and magnetic properties","Inorganica Chimica Acta","2013","394","","696","702","10.1016/j.ica.2012.09.024","","","0.70173","","","0.0399","0.0369","","","0.0948","0.0981","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512810","21.196","0.002","15.0676","0.0017","8.0827","0.0009","90","","90","","90","","2581.4","0.5","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C12 H13 N O6 -","- C12 H13 N O6 -","- C96 H104 N8 O48 -","8","2","","Devendra Singh; Jubaraj B. Baruah","Hydroxy-carboxylates of manganese, zinc and cadmium","Inorganica Chimica Acta","2013","394","","703","709","10.1016/j.ica.2012.09.025","","","0.71073","MoKα","","0.0681","0.0451","","","0.1032","0.1105","","","","","","0.916","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512811","5.0612","0.0003","10.1638","0.0006","16.0051","0.0009","83.651","0.003","88.514","0.003","87.149","0.003","817.08","0.08","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H28 N4 O10 Zn -","- C34 H28 N4 O10 Zn -","- C34 H28 N4 O10 Zn -","1","1","","Devendra Singh; Jubaraj B. Baruah","Hydroxy-carboxylates of manganese, zinc and cadmium","Inorganica Chimica Acta","2013","394","","703","709","10.1016/j.ica.2012.09.025","","","0.71073","MoKα","","0.0377","0.0348","","","0.0946","0.1101","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512812","5.5897","0.0004","16.5961","0.001","16.6125","0.0011","73.622","0.004","85.665","0.004","82.482","0.004","1464.64","0.17","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H39 Mn2 N4 O28 -","- C48 H39 Mn2 N4 O28 -","- C48 H39 Mn2 N4 O28 -","1","1","","Devendra Singh; Jubaraj B. Baruah","Hydroxy-carboxylates of manganese, zinc and cadmium","Inorganica Chimica Acta","2013","394","","703","709","10.1016/j.ica.2012.09.025","","","0.71073","MoKα","","0.0832","0.0724","","","0.2075","0.2162","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512813","18.9798","0.0005","21.1468","0.0005","29.1998","0.0008","90","","95.448","0.002","90","","11666.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H45 Cd N7 O12 -","- C63 H45 Cd N7 O12 -","- C504 H360 Cd8 N56 O96 -","8","2","","Devendra Singh; Jubaraj B. Baruah","Hydroxy-carboxylates of manganese, zinc and cadmium","Inorganica Chimica Acta","2013","394","","703","709","10.1016/j.ica.2012.09.025","","","0.71073","MoKα","","0.0706","0.0416","","","0.0756","0.0833","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512814","10.076","0.002","12.75","0.003","13.189","0.003","64.037","0.003","80.602","0.003","68.594","0.003","1418.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H44 Br4 Co2 N8 O8 -","- C56 H44 Br4 Co2 N8 O8 -","- C56 H44 Br4 Co2 N8 O8 -","1","0.5","","Lian-Li Liu; Jing-Jing Huang; Xiu-Li Wang; Guo-Cheng Liu; Song Yang; Hong-Yan Lin","Ligand-controlled assembly of cobalt(II) metal-organic complexes from different semirigid bis(imidazole) derivatives and aromatic monocarboxylates: Electrochemical behaviors and fluorescent properties","Inorganica Chimica Acta","2013","394","","715","722","10.1016/j.ica.2012.09.033","","","0.71073","MoKα","","0.077","0.0559","","","0.1714","0.1839","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512815","22.432","0.004","6.2562","0.0012","11.1","0.002","90","","99.851","0.003","90","","1534.8","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H20 Co N8 O12 -","- C28 H20 Co N8 O12 -","- C56 H40 Co2 N16 O24 -","2","0.5","","Lian-Li Liu; Jing-Jing Huang; Xiu-Li Wang; Guo-Cheng Liu; Song Yang; Hong-Yan Lin","Ligand-controlled assembly of cobalt(II) metal-organic complexes from different semirigid bis(imidazole) derivatives and aromatic monocarboxylates: Electrochemical behaviors and fluorescent properties","Inorganica Chimica Acta","2013","394","","715","722","10.1016/j.ica.2012.09.033","","","0.71073","MoKα","","0.0928","0.0688","","","0.1806","0.2012","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512816","25.0246","0.0015","6.2508","0.0004","22.7773","0.0013","90","","95.951","0.002","90","","3543.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Br2 Co N4 O4 -","- C40 H34 Br2 Co N4 O4 -","- C160 H136 Br8 Co4 N16 O16 -","4","0.5","","Lian-Li Liu; Jing-Jing Huang; Xiu-Li Wang; Guo-Cheng Liu; Song Yang; Hong-Yan Lin","Ligand-controlled assembly of cobalt(II) metal-organic complexes from different semirigid bis(imidazole) derivatives and aromatic monocarboxylates: Electrochemical behaviors and fluorescent properties","Inorganica Chimica Acta","2013","394","","715","722","10.1016/j.ica.2012.09.033","","","0.71073","MoKα","","0.0513","0.04","","","0.0999","0.1086","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512817","19.1278","0.0011","16.8327","0.001","21.3003","0.0012","90","","99.335","0.001","90","","6767.3","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H29 Cl Co N6 O6 -","- C33 H29 Cl Co N6 O6 -","- C264 H232 Cl8 Co8 N48 O48 -","8","1","","Lian-Li Liu; Jing-Jing Huang; Xiu-Li Wang; Guo-Cheng Liu; Song Yang; Hong-Yan Lin","Ligand-controlled assembly of cobalt(II) metal-organic complexes from different semirigid bis(imidazole) derivatives and aromatic monocarboxylates: Electrochemical behaviors and fluorescent properties","Inorganica Chimica Acta","2013","394","","715","722","10.1016/j.ica.2012.09.033","","","0.71073","MoKα","","0.0999","0.0591","","","0.17","0.1952","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512818","10.4848","0.0006","15.3189","0.0011","18.2466","0.0012","72.648","0.005","84.706","0.005","73.398","0.005","2680.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H49 N4 O12 Ru2 S2 -","- C43 H49 N4 O12 Ru2 S2 -","- C86 H98 N8 O24 Ru4 S4 -","2","1","","Justin P. Johnpeter; Bruno Therrien","Sawhorse-type diruthenium tetracarbonyl complexes containing biologically relevant acids","Inorganica Chimica Acta","2013","394","","723","728","10.1016/j.ica.2012.09.034","","","0.71073","MoKα","","0.1472","0.091","","","0.1523","0.1734","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512819","23.893","0.007","15.673","0.006","17.237","0.006","90","","98.39","0.03","90","","6386","4","294","2","294","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H60 Cl4 Cu2 N4 O20 -","- C58 H60 Cl4 Cu2 N4 O20 -","- C232 H240 Cl16 Cu8 N16 O80 -","4","0.5","","Linsheng Feng; Zhichao Chen; Matthias Zeller; Rudy L. Luck","Polymorphs or solvates? Coordination of 3,5-dihydroxybenzoate to copper and zinc metal centers","Inorganica Chimica Acta","2013","394","","729","740","10.1016/j.ica.2012.09.036","","x-ray","0.71069","MoKα","","0.0846","0.042","","","0.0877","0.1024","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512820","13.532","0.002","15.229","0.003","15.657","0.003","90","","105.488","0.003","90","","3109.4","1","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl4 Cu N2 O9 -","- C27 H28 Cl4 Cu N2 O9 -","- C108 H112 Cl16 Cu4 N8 O36 -","4","1","","Linsheng Feng; Zhichao Chen; Matthias Zeller; Rudy L. Luck","Polymorphs or solvates? Coordination of 3,5-dihydroxybenzoate to copper and zinc metal centers","Inorganica Chimica Acta","2013","394","","729","740","10.1016/j.ica.2012.09.036","","x-ray","0.71073","MoKα","","0.0606","0.0408","","","0.0932","0.1022","","","","","","1.072","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1512821","8.537","0.002","11.292","0.003","21.66","0.005","90","","101.569","0.008","90","","2045.6","0.9","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 Cl6 Cu2 O18 -","- C33 H34 Cl6 Cu2 O18 -","- C66 H68 Cl12 Cu4 O36 -","2","0.5","","Linsheng Feng; Zhichao Chen; Matthias Zeller; Rudy L. Luck","Polymorphs or solvates? Coordination of 3,5-dihydroxybenzoate to copper and zinc metal centers","Inorganica Chimica Acta","2013","394","","729","740","10.1016/j.ica.2012.09.036","","x-ray","0.71073","MoKα","","0.0877","0.0575","","","0.1396","0.1515","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512822","11.236","0.004","11.941","0.005","12.956","0.003","110.64","0.03","98.48","0.02","110.5","0.03","1449.1","1.1","294","2","294","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C26 H25.5 Cl2.5 N2 O8.75 Zn -","- C26 H25.5 Cl2.5 N2 O8.75 Zn -","- C52 H51 Cl5 N4 O17.5 Zn2 -","2","1","","Linsheng Feng; Zhichao Chen; Matthias Zeller; Rudy L. Luck","Polymorphs or solvates? Coordination of 3,5-dihydroxybenzoate to copper and zinc metal centers","Inorganica Chimica Acta","2013","394","","729","740","10.1016/j.ica.2012.09.036","","x-ray","0.71069","MoKα","","0.0921","0.0575","","","0.1457","0.1666","","","","","","1.076","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512823","13.8664","0.0018","14.8691","0.0019","21.014","0.003","90","","90","","90","","4332.7","1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C37 H48 N4 Ni2 O9 S2 -","- C37 H36 N4 Ni2 O9 S2 -","- C148 H144 N16 Ni8 O36 S8 -","4","0.5","","Moussa Dieng; Ousmane Diouf; Mohamed Gaye; Abdou Salam Sall; Paulo Perez-Lourido; Laura Valencia; Andrea Caneschi; Lorenzo Sorace","Polynuclear nickel(II) complexes with salicylaldimine derivative ligands","Inorganica Chimica Acta","2013","394","","741","746","10.1016/j.ica.2012.09.037","","","0.71073","MoKα","","0.0906","0.0672","","","0.2205","0.2586","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512824","11.573","0.004","18.768","0.006","10.027","0.003","90","","111.141","0.006","90","","2031.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N6 Ni3 O10 S2 -","- C36 H44 N6 Ni3 O10 S2 -","- C72 H88 N12 Ni6 O20 S4 -","2","0.5","","Moussa Dieng; Ousmane Diouf; Mohamed Gaye; Abdou Salam Sall; Paulo Perez-Lourido; Laura Valencia; Andrea Caneschi; Lorenzo Sorace","Polynuclear nickel(II) complexes with salicylaldimine derivative ligands","Inorganica Chimica Acta","2013","394","","741","746","10.1016/j.ica.2012.09.037","","","0.71073","MoKα","","0.0825","0.0397","","","0.0771","0.0997","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512825","9.32","0.0019","16.041","0.003","14.167","0.003","90","","107.49","0.03","90","","2020.1","0.8","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Cd N4 O7 -","- C22 H14 Cd N4 O7 -","- C88 H56 Cd4 N16 O28 -","4","1","","Guang-Bo Che; Shan-Shan Wang; Xiao-Lin Zha; Xiu-Ying Li; Chun-Bo Liu; Xing-Jing Zhang; Zhan-Lin Xu; Qing-Wei Wang","Syntheses, structures, and photoluminescence of a series of d10 coordination complexes from N,N'-bidentate imidazo[4,5-f][1,10]phenanthroline and benzene-1,3,5-tricarboxylic acid","Inorganica Chimica Acta","2013","394","","481","487","10.1016/j.ica.2012.09.007","","","0.71073","MoKα","","0.0321","0.0248","","","0.0587","0.0611","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512826","9.6373","0.0019","12.802","0.003","14.049","0.003","98.04","0.03","91.1","0.03","106.72","0.03","1640.5","0.7","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H23 Cd2 Cl N8 O8 -","- C35 H23 Cd2 Cl N8 O8 -","- C70 H46 Cd4 Cl2 N16 O16 -","2","1","","Guang-Bo Che; Shan-Shan Wang; Xiao-Lin Zha; Xiu-Ying Li; Chun-Bo Liu; Xing-Jing Zhang; Zhan-Lin Xu; Qing-Wei Wang","Syntheses, structures, and photoluminescence of a series of d10 coordination complexes from N,N'-bidentate imidazo[4,5-f][1,10]phenanthroline and benzene-1,3,5-tricarboxylic acid","Inorganica Chimica Acta","2013","394","","481","487","10.1016/j.ica.2012.09.007","","","0.71073","MoKα","","0.0405","0.0321","","","0.0953","0.1042","","","","","","1.163","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512827","8.5875","0.0017","9.0836","0.0018","14.313","0.003","82.15","0.03","87.49","0.03","73.34","0.03","1059.6","0.4","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N8 O18 Zn2 -","- C44 H36 N8 O18 Zn2 -","- C44 H36 N8 O18 Zn2 -","1","0.5","","Guang-Bo Che; Shan-Shan Wang; Xiao-Lin Zha; Xiu-Ying Li; Chun-Bo Liu; Xing-Jing Zhang; Zhan-Lin Xu; Qing-Wei Wang","Syntheses, structures, and photoluminescence of a series of d10 coordination complexes from N,N'-bidentate imidazo[4,5-f][1,10]phenanthroline and benzene-1,3,5-tricarboxylic acid","Inorganica Chimica Acta","2013","394","","481","487","10.1016/j.ica.2012.09.007","","","0.71073","MoKα","","0.0353","0.0292","","","0.0772","0.0785","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512828","8.8932","0.0018","16.118","0.003","14.415","0.003","90","","107.75","0.03","90","","1967.9","0.8","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 O7 Zn -","- C22 H14 N4 O7 Zn -","- C88 H56 N16 O28 Zn4 -","4","1","","Guang-Bo Che; Shan-Shan Wang; Xiao-Lin Zha; Xiu-Ying Li; Chun-Bo Liu; Xing-Jing Zhang; Zhan-Lin Xu; Qing-Wei Wang","Syntheses, structures, and photoluminescence of a series of d10 coordination complexes from N,N'-bidentate imidazo[4,5-f][1,10]phenanthroline and benzene-1,3,5-tricarboxylic acid","Inorganica Chimica Acta","2013","394","","481","487","10.1016/j.ica.2012.09.007","","","0.71073","MoKα","","0.0466","0.0338","","","0.0876","0.1014","","","","","","1.145","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512829","6.9142","0.0007","7.9952","0.0008","15.4083","0.0015","89.073","0.001","80.338","0.002","89.917","0.001","839.58","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cl N4 O3 Re -","- C14 H14 Cl N4 O3 Re -","- C28 H28 Cl2 N8 O6 Re2 -","2","1","","Gao-Feng Wang; Yuan-Zhong Liu; Xue-Tai Chen; You-Xuan Zheng; Zi-Ling Xue","Synthesis, structure and luminescent properties of rhenium(I) carbonyl complexes containing pyrimidine-functionalized N-heterocyclic carbenes","Inorganica Chimica Acta","2013","394","","488","493","10.1016/j.ica.2012.09.008","","","0.71073","MoKα","","0.0186","0.0177","","","0.0452","0.0455","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512830","17.073","0.014","9.43","0.008","12.726","0.01","90","","95.885","0.013","90","","2038","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl N4 O3 Re -","- C19 H16 Cl N4 O3 Re -","- C76 H64 Cl4 N16 O12 Re4 -","4","1","","Gao-Feng Wang; Yuan-Zhong Liu; Xue-Tai Chen; You-Xuan Zheng; Zi-Ling Xue","Synthesis, structure and luminescent properties of rhenium(I) carbonyl complexes containing pyrimidine-functionalized N-heterocyclic carbenes","Inorganica Chimica Acta","2013","394","","488","493","10.1016/j.ica.2012.09.008","","","0.71073","MoKα","","0.0644","0.0568","","","0.1493","0.1599","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512831","8.9804","0.0005","9.8764","0.0005","10.5081","0.0008","111.143","0.006","105.797","0.006","94.701","0.005","819.41","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Cl2 Fe N5 -","- C14 H15 Cl2 Fe N5 -","- C28 H30 Cl4 Fe2 N10 -","2","1","","Minkyu Yang; Eunhee Kim; Jong Hwa Jeong; Kil Sik Min; Hyosun Lee","Synthesis, structure, and magnetic properties of the halide-bridged dimeric complex [(bpmaL1)Fe(mu-Cl)Cl]2","Inorganica Chimica Acta","2013","394","","501","505","10.1016/j.ica.2012.09.010","","","0.71073","MoKα","","0.0363","0.0296","","","0.0838","0.0864","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512832","8.1577","0.0001","21.0261","0.0003","13.4999","0.0002","90","","90.936","0.001","90","","2315.26","0.06","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F6 O9 S2 V -","- C16 H22 F6 O9 S2 V -","- C64 H88 F24 O36 S8 V4 -","4","1","","Theocharis C. Stamatatos; Spyros P. Perlepes; Catherine P. Raptopoulou; Aris Terzis; Nikolaos Klouras","Bis(aqua)bis(eta5-cyclopentadienyl)vanadium(IV) bis(trifluoromethanesulfonate) tetrahydrofuran solvate: Synthesis and characterization","Inorganica Chimica Acta","2013","394","","747","751","10.1016/j.ica.2012.09.038","","","1.54178","CuKα","","0.043","0.0396","","","0.1016","0.1044","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512833","9.948","0.003","14.792","0.005","11.344","0.007","90","","106.13","0.04","90","","1603.6","1.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Fe Ni -","- C38 H50 Fe Ni -","- C76 H100 Fe2 Ni2 -","2","0.5","","Cesar Morales-Verdejo; Ivan Martinez; Desmond Mac-Leod Carey; Ivonne Chavez; Juan Manuel Manriquez; Dimitri Matioszek; Nathalie Saffon; Annie Castel; Pierre Riviere; Elies Molins","Synthesis and structure of some heterobimetallic complexes having a polyalkyl-s-indacenyl spacer","Inorganica Chimica Acta","2013","394","","752","756","10.1016/j.ica.2012.09.040","","x-ray","0.71073","MoKα","","0.0549","0.0425","","","0.1087","0.1135","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512834","9.9363","0.0004","14.8638","0.0006","11.329","0.0003","90","","105.83","0.001","90","","1609.74","0.1","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Ni Ru -","- C38 H50 Ni Ru -","- C76 H100 Ni2 Ru2 -","2","0.5","","Cesar Morales-Verdejo; Ivan Martinez; Desmond Mac-Leod Carey; Ivonne Chavez; Juan Manuel Manriquez; Dimitri Matioszek; Nathalie Saffon; Annie Castel; Pierre Riviere; Elies Molins","Synthesis and structure of some heterobimetallic complexes having a polyalkyl-s-indacenyl spacer","Inorganica Chimica Acta","2013","394","","752","756","10.1016/j.ica.2012.09.040","","","0.71073","MoKα","","0.0429","0.0302","","","0.0682","0.0732","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512835","7.4299","0.0005","14.9559","0.0011","14.9648","0.0011","106.682","0.003","95.536","0.003","102.028","0.003","1536.11","0.19","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C34.5 H39 Mn Ni O3 -","- C34.5 H39 Mn Ni O3 -","- C69 H78 Mn2 Ni2 O6 -","2","1","","Cesar Morales-Verdejo; Ivan Martinez; Desmond Mac-Leod Carey; Ivonne Chavez; Juan Manuel Manriquez; Dimitri Matioszek; Nathalie Saffon; Annie Castel; Pierre Riviere; Elies Molins","Synthesis and structure of some heterobimetallic complexes having a polyalkyl-s-indacenyl spacer","Inorganica Chimica Acta","2013","394","","752","756","10.1016/j.ica.2012.09.040","","","0.71073","MoKα","","0.0916","0.0475","","","0.1025","0.1192","","","","","","1.021","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512836","12.272","0.0004","8.9594","0.0003","17.5851","0.0006","90","","108.213","0.002","90","","1836.61","0.11","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl N2 O Pt S -","- C19 H17 Cl N2 O Pt S -","- C76 H68 Cl4 N8 O4 Pt4 S4 -","4","1","","Suvra Acharya; Ambica Kejriwal; Achintesh Narayan Biswas; Purak Das; Debatra Narayan Neogi; Pinaki Bandyopadhyay","Synthesis, characterization, X-ray structure and spectroscopic study of platinum(II) complexes with tridentate diazene ligands having O,N,S donor set","Inorganica Chimica Acta","2013","394","","757","764","10.1016/j.ica.2012.09.041","","","0.71073","MoKα","","0.0222","0.0184","","","0.0472","0.0489","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512837","13.531","0.003","9.007","0.0018","16.564","0.003","90","","108.5","0.03","90","","1914.4","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 I N2 O Pt S -","- C19 H17 I N2 O Pt S -","- C76 H68 I4 N8 O4 Pt4 S4 -","4","1","","Suvra Acharya; Ambica Kejriwal; Achintesh Narayan Biswas; Purak Das; Debatra Narayan Neogi; Pinaki Bandyopadhyay","Synthesis, characterization, X-ray structure and spectroscopic study of platinum(II) complexes with tridentate diazene ligands having O,N,S donor set","Inorganica Chimica Acta","2013","394","","757","764","10.1016/j.ica.2012.09.041","","","0.71073","MoKα","","0.0541","0.0385","","","0.0713","0.0751","","","","","","0.866","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512838","11.478","0.004","8.913","0.003","18.736","0.006","90","","100.916","0.004","90","","1882.1","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl N2 O Pt S -","- C20 H19 Cl N2 O Pt S -","- C80 H76 Cl4 N8 O4 Pt4 S4 -","4","1","","Suvra Acharya; Ambica Kejriwal; Achintesh Narayan Biswas; Purak Das; Debatra Narayan Neogi; Pinaki Bandyopadhyay","Synthesis, characterization, X-ray structure and spectroscopic study of platinum(II) complexes with tridentate diazene ligands having O,N,S donor set","Inorganica Chimica Acta","2013","394","","757","764","10.1016/j.ica.2012.09.041","","","0.71073","MoKα","","0.0341","0.0279","","","0.0668","0.0701","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512839","16.92","0.003","16.92","0.003","28.283","0.006","90","","90","","90","","8097","3","150","2","150","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C48 H52 Dy Mo12 N8 O50 P -","- C48 H48 Dy Mo12 N8 O48 P -","- C192 H192 Dy4 Mo48 N32 O192 P4 -","4","0.25","","Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang","New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization","Inorganica Chimica Acta","2013","394","","770","775","10.1016/j.ica.2012.10.001","","","0.71073","MoKα","","0.083","0.0599","","","0.1294","0.1418","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512840","16.858","0.003","16.858","0.003","28.341","0.006","90","","90","","90","","8054","3","150","2","150","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C48 H52 Mo12 N8 O50 P Tb -","- C48 H48 Mo12 N8 O48 P Tb -","- C192 H192 Mo48 N32 O192 P4 Tb4 -","4","0.25","","Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang","New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization","Inorganica Chimica Acta","2013","394","","770","775","10.1016/j.ica.2012.10.001","","","0.71073","MoKα","","0.0657","0.0565","","","0.1399","0.1449","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512841","16.876","0.002","16.876","0.002","28.208","0.006","90","","90","","90","","8034","2","150","2","150","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C48 H52 Er Mo12 N8 O50 P -","- C48 H48 Er Mo12 N8 O48 P -","- C192 H192 Er4 Mo48 N32 O192 P4 -","4","0.25","","Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang","New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization","Inorganica Chimica Acta","2013","394","","770","775","10.1016/j.ica.2012.10.001","","","0.71073","MoKα","","0.0968","0.0674","","","0.1377","0.1525","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512842","16.899","0.003","16.899","0.003","28.339","0.006","90","","90","","90","","8093","3","150","2","150","2","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","","- C48 H52 Ho Mo12 N8 O50 P -","- C48 H48 Ho Mo12 N8 O48 P -","- C192 H192 Ho4 Mo48 N32 O192 P4 -","4","0.25","","Wenzhe Zhou; Xiaojia Feng; Hongshan Ke; Yangguang Li; Jinkui Tang; Enbo Wang","New polyoxometalate-based mononuclear lanthanide complexes with slow relaxation of magnetization","Inorganica Chimica Acta","2013","394","","770","775","10.1016/j.ica.2012.10.001","","","0.71073","MoKα","","0.1081","0.075","","","0.1711","0.1923","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512843","16.524","0.004","7.958","0.002","21.913","0.004","90","","90","","90","","2881.5","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H22 Cl2 Cu2 N8 O6 -","- C26 H22 Cl2 Cu2 N8 O6 -","- C104 H88 Cl8 Cu8 N32 O24 -","4","0.5","","Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; Sudipta Chatterjee; Susanta Kumar Kar","Three new 1D Cu(II) coordination polymers and a binuclear Cu(II) complex of two pyrazole derived Schiff base ligands: Heterocyclic ring substitution and anion dependent structural variations - Spectral studies","Inorganica Chimica Acta","2013","395","","1","10","10.1016/j.ica.2012.10.013","","","0.71073","MoKα","","0.0705","0.0587","","","0.1441","0.1497","","","","","","1.138","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512844","14.611","0.006","15.551","0.006","8.837","0.004","90","","102.36","0.01","90","","1961.4","1.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl Cu N5 O7 -","- C18 H14 Cl Cu N5 O7 -","- C72 H56 Cl4 Cu4 N20 O28 -","4","1","","Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; Sudipta Chatterjee; Susanta Kumar Kar","Three new 1D Cu(II) coordination polymers and a binuclear Cu(II) complex of two pyrazole derived Schiff base ligands: Heterocyclic ring substitution and anion dependent structural variations - Spectral studies","Inorganica Chimica Acta","2013","395","","1","10","10.1016/j.ica.2012.10.013","","","0.71073","MoKα","","0.099","0.0596","","","0.1501","0.177","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512845","9.2653","0.0004","12.7937","0.0006","12.397","0.0005","90","","97.675","0.002","90","","1456.34","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O3 -","- C14 H14 N4 O3 -","- C56 H56 N16 O12 -","4","1","","Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; Sudipta Chatterjee; Susanta Kumar Kar","Three new 1D Cu(II) coordination polymers and a binuclear Cu(II) complex of two pyrazole derived Schiff base ligands: Heterocyclic ring substitution and anion dependent structural variations - Spectral studies","Inorganica Chimica Acta","2013","395","","1","10","10.1016/j.ica.2012.10.013","","","0.71073","MoKα","","0.0579","0.0442","","","0.1223","0.1345","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512846","15.0825","0.0006","8.2354","0.0003","15.4752","0.0007","90","","107.587","0.002","90","","1832.34","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cu N6 O6 -","- C18 H14 Cu N6 O6 -","- C72 H56 Cu4 N24 O24 -","4","1","","Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; Sudipta Chatterjee; Susanta Kumar Kar","Three new 1D Cu(II) coordination polymers and a binuclear Cu(II) complex of two pyrazole derived Schiff base ligands: Heterocyclic ring substitution and anion dependent structural variations - Spectral studies","Inorganica Chimica Acta","2013","395","","1","10","10.1016/j.ica.2012.10.013","","","0.71073","MoKα","","0.0436","0.0318","","","0.083","0.0883","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512847","12.6415","0.0016","21.044","0.003","28.97","0.004","90","","90","","90","","7706.8","1.8","150","2","150","2","","","","","","","","6","I c a b","-I 2a 2b","73","","","","- C13 H13 Cl Cu N4 O8 -","- C13 H13 Cl Cu N4 O8 -","- C208 H208 Cl16 Cu16 N64 O128 -","16","1","","Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; Sudipta Chatterjee; Susanta Kumar Kar","Three new 1D Cu(II) coordination polymers and a binuclear Cu(II) complex of two pyrazole derived Schiff base ligands: Heterocyclic ring substitution and anion dependent structural variations - Spectral studies","Inorganica Chimica Acta","2013","395","","1","10","10.1016/j.ica.2012.10.013","","","0.71073","MoKα","","0.0539","0.0434","","","0.1208","0.1261","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512848","11.55122","0.00012","20.0881","0.0002","11.64687","0.00012","90","","93.188","0.001","90","","2698.38","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 Cu N3 O2 -","- C13 H17 Cu N3 O2 -","- C104 H136 Cu8 N24 O16 -","8","2","","Pallab Bhowmik; Shouvik Chattopadhyay; Michael G.B. Drew; Ashutosh Ghosh","A polynuclear helical and two dinuclear copper(II) complexes of a monocondensed N,N,O donor Schiff base with pseudohalides as co-ligand","Inorganica Chimica Acta","2013","395","","24","32","10.1016/j.ica.2012.10.020","","","1.54184","CuKα","","0.0508","0.0497","","","0.1303","0.1311","","","","","","1.145","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512849","12.2936","0.0002","19.5877","0.0003","12.1908","0.0002","90","","96.391","0.002","90","","2917.34","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Cu N3 O S -","- C13 H17 Cu N3 O S -","- C104 H136 Cu8 N24 O8 S8 -","8","2","","Pallab Bhowmik; Shouvik Chattopadhyay; Michael G.B. Drew; Ashutosh Ghosh","A polynuclear helical and two dinuclear copper(II) complexes of a monocondensed N,N,O donor Schiff base with pseudohalides as co-ligand","Inorganica Chimica Acta","2013","395","","24","32","10.1016/j.ica.2012.10.020","","","1.54184","CuKα","","0.0371","0.0343","","","0.0912","0.094","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512850","16.8018","0.0017","10.7634","0.0012","17.9184","0.0016","90","","103.855","0.01","90","","3146.2","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 Cu N5 O2 -","- C14 H19 Cu N5 O2 -","- C112 H152 Cu8 N40 O16 -","8","2","","Pallab Bhowmik; Shouvik Chattopadhyay; Michael G.B. Drew; Ashutosh Ghosh","A polynuclear helical and two dinuclear copper(II) complexes of a monocondensed N,N,O donor Schiff base with pseudohalides as co-ligand","Inorganica Chimica Acta","2013","395","","24","32","10.1016/j.ica.2012.10.020","","","0.71073","MoKα","","0.2275","0.1009","","","0.1301","0.1703","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512851","24.584","0.003","9.2487","0.0004","36.028","0.002","90","","98.297","0.006","90","","8105.9","1.1","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H21 N2 O2 P -","- C22 H21 N2 O2 P -","- C352 H336 N32 O32 P16 -","16","2","","Milica Milenkovic; Alessia Bacchi; Giulia Cantoni; Sinisa Radulovic; Nevenka Gligorijevic; Sandra Arandelovic; Dusan Sladic; Miroslava Vujcic; Dragana Mitic; Katarina Andelkovic","Synthesis, characterisation and biological activity of Co(III) complex with the condensation product of 2-(diphenylphosphino)benzaldehyde and ethyl carbazate","Inorganica Chimica Acta","2013","395","","33","43","10.1016/j.ica.2012.09.043","","","1.54178","CuKα","","0.0452","0.0425","","","0.1219","0.1247","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512852","15.677","0.001","13.403","0.001","19.949","0.002","90","","93.012","0.001","90","","4185.9","0.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 B Co F4 N4 O4 P2 -","- C44 H40 B Co F4 N4 O4 P2 -","- C176 H160 B4 Co4 F16 N16 O16 P8 -","4","1","","Milica Milenkovic; Alessia Bacchi; Giulia Cantoni; Sinisa Radulovic; Nevenka Gligorijevic; Sandra Arandelovic; Dusan Sladic; Miroslava Vujcic; Dragana Mitic; Katarina Andelkovic","Synthesis, characterisation and biological activity of Co(III) complex with the condensation product of 2-(diphenylphosphino)benzaldehyde and ethyl carbazate","Inorganica Chimica Acta","2013","395","","33","43","10.1016/j.ica.2012.09.043","","","0.71073","MoKα","","0.0535","0.0386","","","0.1053","0.115","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512853","10.4478","0.0016","15.021","0.002","15.994","0.002","100.314","0.003","104.841","0.003","90.885","0.003","2382.1","0.6","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H39 Cu2 Mo5 N6 O26.5 P2 -","- C34 H37 Cu2 Mo5 N6 O26.5 P2 -","- C68 H74 Cu4 Mo10 N12 O53 P4 -","2","1","","Stephanie Jones; Jose M. Vargas; Steven Pellizzeri; Charles J. O-Connor; Jon Zubieta","Solid state coordination chemistry: Structural consequences of varying diphosphonate tether length and fluoride incorporation in the copper-bisterpy/oxomolybdenum/organodiphosphonate system (bisterpy = 2,2':4',4"":2',2""'-quarterpyridyl-6',6'-di-2-pyridine)","Inorganica Chimica Acta","2013","395","","44","57","10.1016/j.ica.2012.10.023","","","0.71073","MoKα","","0.0225","0.0196","","","0.0806","0.0856","","","","","","0.763","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512854","10.5271","0.0014","11.4603","0.0015","20.941","0.003","98.655","0.003","95.15","0.003","117.037","0.002","2188.5","0.5","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H34 Cu2 Mo5 N6 O23 P2 -","- C35 H30 Cu2 Mo5 N6 O23 P2 -","- C70 H60 Cu4 Mo10 N12 O46 P4 -","2","1","","Stephanie Jones; Jose M. Vargas; Steven Pellizzeri; Charles J. O-Connor; Jon Zubieta","Solid state coordination chemistry: Structural consequences of varying diphosphonate tether length and fluoride incorporation in the copper-bisterpy/oxomolybdenum/organodiphosphonate system (bisterpy = 2,2':4',4"":2',2""'-quarterpyridyl-6',6'-di-2-pyridine)","Inorganica Chimica Acta","2013","395","","44","57","10.1016/j.ica.2012.10.023","","","0.71073","MoKα","","0.0826","0.0658","","","0.1489","0.158","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512855","9.4285","0.001","13.1589","0.0013","15.9484","0.0016","86.836","0.002","78.19","0.002","84.923","0.002","1927.8","0.3","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H34 Cu2 F3 Mo2 N6 O16.5 P2 -","- C31 H23 Cu2 F3 Mo2 N6 O11 P2 -","- C62 H46 Cu4 F6 Mo4 N12 O22 P4 -","2","1","","Stephanie Jones; Jose M. Vargas; Steven Pellizzeri; Charles J. O-Connor; Jon Zubieta","Solid state coordination chemistry: Structural consequences of varying diphosphonate tether length and fluoride incorporation in the copper-bisterpy/oxomolybdenum/organodiphosphonate system (bisterpy = 2,2':4',4"":2',2""'-quarterpyridyl-6',6'-di-2-pyridine)","Inorganica Chimica Acta","2013","395","","44","57","10.1016/j.ica.2012.10.023","","x-ray","0.71073","MoKα","","0.0725","0.0479","","","0.0991","0.1081","","","","","","0.94","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512856","14.2755","0.0007","15.9451","0.0008","18.4226","0.0009","90","","93.623","0.001","90","","4185.1","0.4","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 Cu F2 Mo2 N3 O9 P -","- C16 H12 Cu F2 Mo2 N3 O9 P -","- C128 H96 Cu8 F16 Mo16 N24 O72 P8 -","8","1","","Stephanie Jones; Jose M. Vargas; Steven Pellizzeri; Charles J. O-Connor; Jon Zubieta","Solid state coordination chemistry: Structural consequences of varying diphosphonate tether length and fluoride incorporation in the copper-bisterpy/oxomolybdenum/organodiphosphonate system (bisterpy = 2,2':4',4"":2',2""'-quarterpyridyl-6',6'-di-2-pyridine)","Inorganica Chimica Acta","2013","395","","44","57","10.1016/j.ica.2012.10.023","","x-ray","0.71073","MoKα","","0.0552","0.0425","","","0.0829","0.0871","","","","","","1.153","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512857","9.3474","0.0006","9.9968","0.0006","11.2297","0.0007","84.626","0.001","70.064","0.001","83.678","0.001","978.7","0.11","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H26 Cu2 F6 Mo4 N6 O15 P2 -","- C33 H20 Cu2 F6 Mo4 N6 O15 P2 -","- C33 H20 Cu2 F6 Mo4 N6 O15 P2 -","1","0.5","","Stephanie Jones; Jose M. Vargas; Steven Pellizzeri; Charles J. O-Connor; Jon Zubieta","Solid state coordination chemistry: Structural consequences of varying diphosphonate tether length and fluoride incorporation in the copper-bisterpy/oxomolybdenum/organodiphosphonate system (bisterpy = 2,2':4',4"":2',2""'-quarterpyridyl-6',6'-di-2-pyridine)","Inorganica Chimica Acta","2013","395","","44","57","10.1016/j.ica.2012.10.023","","","0.71073","MoKα","","0.0271","0.0247","","","0.0874","0.0923","","","","","","0.78","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512858","8.4284","0.0006","9.8064","0.0007","13.2542","0.001","98.206","0.001","93.632","0.001","112.991","0.001","989.58","0.12","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C17 H17 Cu F3 Mo N3 O6 P -","- C17 H15 Cu F3 Mo N3 O6 P -","- C34 H30 Cu2 F6 Mo2 N6 O12 P2 -","2","1","","Stephanie Jones; Jose M. Vargas; Steven Pellizzeri; Charles J. O-Connor; Jon Zubieta","Solid state coordination chemistry: Structural consequences of varying diphosphonate tether length and fluoride incorporation in the copper-bisterpy/oxomolybdenum/organodiphosphonate system (bisterpy = 2,2':4',4"":2',2""'-quarterpyridyl-6',6'-di-2-pyridine)","Inorganica Chimica Acta","2013","395","","44","57","10.1016/j.ica.2012.10.023","","x-ray","0.71073","MoKα","","0.0335","0.0301","","","0.0773","0.0795","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1512859","9.2086","0.0005","9.6673","0.0006","15.8062","0.0009","92.471","0.002","103.841","0.001","115.663","0.001","1214.05","0.12","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H24 Cu F2 Mo N3 O9 P2 -","- C20 H22 Cu F2 Mo N3 O9 P2 -","- C40 H44 Cu2 F4 Mo2 N6 O18 P4 -","2","1","","Stephanie Jones; Jose M. Vargas; Steven Pellizzeri; Charles J. O-Connor; Jon Zubieta","Solid state coordination chemistry: Structural consequences of varying diphosphonate tether length and fluoride incorporation in the copper-bisterpy/oxomolybdenum/organodiphosphonate system (bisterpy = 2,2':4',4"":2',2""'-quarterpyridyl-6',6'-di-2-pyridine)","Inorganica Chimica Acta","2013","395","","44","57","10.1016/j.ica.2012.10.023","","","0.71073","MoKα","","0.0752","0.0512","","","0.1079","0.1182","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512860","8.67","0.003","10.059","0.003","14.185","0.004","97.739","0.007","92.257","0.007","93.448","0.007","1222.2","0.7","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H20 Cu F4 Mo2 N3 O9 P -","- C18 H16 Cu F4 Mo2 N3 O9 P -","- C36 H32 Cu2 F8 Mo4 N6 O18 P2 -","2","1","","Stephanie Jones; Jose M. Vargas; Steven Pellizzeri; Charles J. O-Connor; Jon Zubieta","Solid state coordination chemistry: Structural consequences of varying diphosphonate tether length and fluoride incorporation in the copper-bisterpy/oxomolybdenum/organodiphosphonate system (bisterpy = 2,2':4',4"":2',2""'-quarterpyridyl-6',6'-di-2-pyridine)","Inorganica Chimica Acta","2013","395","","44","57","10.1016/j.ica.2012.10.023","","x-ray","0.71073","MoKα","","0.1376","0.0715","","","0.1364","0.1775","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512861","9.8943","0.0014","16.976","0.002","14.81","0.002","90","","105.29","0.003","90","","2399.5","0.5","90","2","90","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C19.5 H21 Cu F4 Mo2 N3 O8 P -","- C19.5 H10 Cu F4 Mo2 N3 O8 P -","- C78 H40 Cu4 F16 Mo8 N12 O32 P4 -","4","1","","Stephanie Jones; Jose M. Vargas; Steven Pellizzeri; Charles J. O-Connor; Jon Zubieta","Solid state coordination chemistry: Structural consequences of varying diphosphonate tether length and fluoride incorporation in the copper-bisterpy/oxomolybdenum/organodiphosphonate system (bisterpy = 2,2':4',4"":2',2""'-quarterpyridyl-6',6'-di-2-pyridine)","Inorganica Chimica Acta","2013","395","","44","57","10.1016/j.ica.2012.10.023","","","0.71073","MoKα","","0.0517","0.0359","","","0.0824","0.0901","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1512862","14.831","0.0013","15.8627","0.0014","16.9169","0.0012","90","","90","","90","","3979.9","0.6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 Fe N6 S6 -","- C14 H8 Fe N6 S6 -","- C112 H64 Fe8 N48 S48 -","8","1","","Anita Abedi; Vahid Amani; Roman Boca; Lubor Dlhan; Hamid Reza Khavasi; Nasser Safari","Bis(isothiocyanato)iron(II) complexes with bithiazole ligands: Structure and magnetic studies","Inorganica Chimica Acta","2013","395","","58","66","10.1016/j.ica.2012.10.037","","","0.71073","MoKα","","0.1621","0.0824","","","0.1213","0.1437","","","","","","1.103","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512863","11.1173","0.001","14.5443","0.0011","15.5205","0.0011","90","","99.858","0.006","90","","2472.5","0.3","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Fe N6 S6 -","- C18 H16 Fe N6 S6 -","- C72 H64 Fe4 N24 S24 -","4","0.5","","Anita Abedi; Vahid Amani; Roman Boca; Lubor Dlhan; Hamid Reza Khavasi; Nasser Safari","Bis(isothiocyanato)iron(II) complexes with bithiazole ligands: Structure and magnetic studies","Inorganica Chimica Acta","2013","395","","58","66","10.1016/j.ica.2012.10.037","","","0.71073","MoKα","","0.1249","0.0919","","","0.2679","0.2917","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512879","12.1787","0.0001","8.77455","0.00007","25.4346","0.0002","90","","98.4644","0.0008","90","","2688.4","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 Ag N2 O2 -","- C33 H31 Ag N2 O2 -","- C132 H124 Ag4 N8 O8 -","4","1","","Frauke Hackenberg; Grainne Lally; Helge Müller-Bunz; Francesca Paradisi; Daniela Quaglia; Wojciech Streciwilk; Matthias Tacke","Synthesis and biological evaluation of <i>N</i>-heterocyclic carbene-silver(I) acetate complexes derived from 4,5-ditolyl-imidazole","Inorganica Chimica Acta","2013","395","","135","144","10.1016/j.ica.2012.10.029","","","0.71073","MoKα","","0.0318","0.0264","","","0.0645","0.0676","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512880","7.8609","0.0001","16.581","0.0003","23.7243","0.0004","89.668","0.002","89.978","0.001","89.995","0.001","3092.21","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Ag N4 O2 -","- C35 H29 Ag N4 O2 -","- C140 H116 Ag4 N16 O8 -","4","2","","Frauke Hackenberg; Grainne Lally; Helge Müller-Bunz; Francesca Paradisi; Daniela Quaglia; Wojciech Streciwilk; Matthias Tacke","Synthesis and biological evaluation of <i>N</i>-heterocyclic carbene-silver(I) acetate complexes derived from 4,5-ditolyl-imidazole","Inorganica Chimica Acta","2013","395","","135","144","10.1016/j.ica.2012.10.029","","","0.71073","MoKα","","0.0294","0.0254","","","0.0542","0.0561","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512881","10.5048","0.0014","19.649","0.003","7.3228","0.0009","90","","90","","90","","1511.5","0.4","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C30 H34 N4 O4 Pd -","- C30 H34 N4 O4 Pd -","- C60 H68 N8 O8 Pd2 -","2","0.5","","Ana S.D. Ferreira; M. Fernanda N.N. Carvalho; Adelino M. Galvao; Luis F. Veiros","Tuning structure and properties of Pd and Pt camphor derived complexes","Inorganica Chimica Acta","2013","395","","169","175","10.1016/j.ica.2012.10.036","","","0.71073","MoKα","","0.0471","0.0402","","","0.1152","0.1362","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512882","21.1183","0.0011","11.6482","0.0005","13.0005","0.0006","90","","107.138","0.003","90","","3056","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H38 Cl2 N2 O2 Pt -","- C32 H38 Cl2 N2 O2 Pt -","- C128 H152 Cl8 N8 O8 Pt4 -","4","2","","Ana S.D. Ferreira; M. Fernanda N.N. Carvalho; Adelino M. Galvao; Luis F. Veiros","Tuning structure and properties of Pd and Pt camphor derived complexes","Inorganica Chimica Acta","2013","395","","169","175","10.1016/j.ica.2012.10.036","","","0.71073","MoKα","","0.0768","0.0444","","","0.0893","0.111","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512883","6.9147","0.0006","12.4968","0.0009","21.382","0.002","90","","90","","90","","1847.7","0.3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O -","- C22 H24 N2 O -","- C88 H96 N8 O4 -","4","1","","Ana S.D. Ferreira; M. Fernanda N.N. Carvalho; Adelino M. Galvao; Luis F. Veiros","Tuning structure and properties of Pd and Pt camphor derived complexes","Inorganica Chimica Acta","2013","395","","169","175","10.1016/j.ica.2012.10.036","","","0.71073","MoKα","","0.0648","0.0471","","","0.1105","0.1506","","","","","","1.214","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512884","16.6781","0.0005","12.3373","0.0004","14.9107","0.0005","90","","114.104","0.001","90","","2800.55","0.16","296","2","296","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Chloro-diethylamine-(N,N-diethylcarbamoyl)-triphenylphosphine-platinum(ii)","","- C27 H36 Cl N2 O P Pt -","- C27 H36 Cl N2 O P Pt -","- C108 H144 Cl4 N8 O4 P4 Pt4 -","4","1","","Daniela Belli Dell Amico; Claudio Broglia; Luca Labella; Fabio Marchetti; Daniele Mendola; Simona Samaritani","Platinum(II) complexes containing unsaturated ligands. Nucleophilic substitution versus nucleophilic attack to ligand: a stereochemistry driven outcome","Inorganica Chimica Acta","2013","395","","181","188","10.1016/j.ica.2012.10.038","","","0.71073","MoKα","","0.0229","0.0189","","","0.0379","0.039","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512885","9.3545","0.0001","9.5028","0.0002","16.6356","0.0003","99.93","0.001","101.18","0.001","100.443","0.001","1393.29","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","trans-Dichloro-(triphenylphosphine)-(diethylamine)-platinum(ii) dichloroethane solvate","","- C24 H30 Cl4 N P Pt -","- C24 H30 Cl4 N P Pt -","- C48 H60 Cl8 N2 P2 Pt2 -","2","1","","Daniela Belli Dell Amico; Claudio Broglia; Luca Labella; Fabio Marchetti; Daniele Mendola; Simona Samaritani","Platinum(II) complexes containing unsaturated ligands. Nucleophilic substitution versus nucleophilic attack to ligand: a stereochemistry driven outcome","Inorganica Chimica Acta","2013","395","","181","188","10.1016/j.ica.2012.10.038","","","0.71073","MoKα","","0.0326","0.0269","","","0.0785","0.0892","","","","","","1.075","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1512886","8.624","0.001","11.285","0.002","13.963","0.002","102.22","0.01","107.86","0.01","96.61","0.01","1240.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","cis-Dichloro-(N,N-diethylacetamidine)-(triphenylphosphine)-platinum(ii)","","- C24 H29 Cl2 N2 P Pt -","- C24 H29 Cl2 N2 P Pt -","- C48 H58 Cl4 N4 P2 Pt2 -","2","1","","Daniela Belli Dell Amico; Claudio Broglia; Luca Labella; Fabio Marchetti; Daniele Mendola; Simona Samaritani","Platinum(II) complexes containing unsaturated ligands. Nucleophilic substitution versus nucleophilic attack to ligand: a stereochemistry driven outcome","Inorganica Chimica Acta","2013","395","","181","188","10.1016/j.ica.2012.10.038","","","0.71079","MoKα","","0.0513","0.0376","","","0.0829","0.0881","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512887","22.266","0.003","22.266","0.003","10.33","0.002","90","","90","","120","","4435.2","1.2","293","2","293","2","","","","","","","","7","P -3","-P 3","147","","","","- C132 H124 Cl6 Cu6 Mn2 N24 O67 -","- C132 H108 Cl6 Cu6 Mn2 N24 O67 -","- C132 H108 Cl6 Cu6 Mn2 N24 O67 -","1","0.166667","","Xiao-Ming Shi; Chang-Xin Li; Xiao-Zeng Li; Shi Ren; Li-Na Zhu","Polynuclear complexes of a new macrocyclic oxamide metalloligand: Syntheses, crystal structures and deoxyribonucleic acid cleavage and magnetic properties","Inorganica Chimica Acta","2013","395","","197","202","10.1016/j.ica.2012.11.003","","","0.71073","MoKα","","0.0673","0.0619","","","0.1896","0.1951","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512888","10.933","0.002","19.912","0.004","13.023","0.003","90","","114.42","0.03","90","","2581.5","1.1","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Cl2 Cu3 N8 O22 -","- C46 H44 Cl2 Cu3 N8 O22 -","- C92 H88 Cl4 Cu6 N16 O44 -","2","0.5","","Xiao-Ming Shi; Chang-Xin Li; Xiao-Zeng Li; Shi Ren; Li-Na Zhu","Polynuclear complexes of a new macrocyclic oxamide metalloligand: Syntheses, crystal structures and deoxyribonucleic acid cleavage and magnetic properties","Inorganica Chimica Acta","2013","395","","197","202","10.1016/j.ica.2012.11.003","","","0.71073","MoKα","","0.0506","0.0387","","","0.0953","0.1012","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512889","11.5134","0.0002","17.7255","0.0003","23.1828","0.0003","90","","96.341","0.001","90","","4702.22","0.13","296","2","296","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C42 H38 Cl6 Co F6 N4 O4 P -","- C42 H38 Cl6 Co F6 N4 O4 P -","- C168 H152 Cl24 Co4 F24 N16 O16 P4 -","4","1","","Hasti Iranmanesh; Mahdi Behzad; Giuseppe Bruno; Hadi Amiri Rudbari; Hossein Nazari; Abolfazl Mohammadi; Omid Taheri","Cobalt(III) Schiff base complexes derived from mesostilbenediamine: Synthesis, characterization, crystal structure, electrochemistry and antibacterial studies","Inorganica Chimica Acta","2013","395","","81","88","10.1016/j.ica.2012.10.030","","","0.71073","MoKα","","0.039","0.0368","","","0.1019","0.1039","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512890","12.698","0.003","15.413","0.003","23.105","0.005","90","","93.42","0.01","90","","4513.9","1.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40.75 H41 Cl Co N3 Na O12.25 -","- C40.75 H41 Cl Co N3 Na O12.25 -","- C163 H164 Cl4 Co4 N12 Na4 O49 -","4","1","","Hasti Iranmanesh; Mahdi Behzad; Giuseppe Bruno; Hadi Amiri Rudbari; Hossein Nazari; Abolfazl Mohammadi; Omid Taheri","Cobalt(III) Schiff base complexes derived from mesostilbenediamine: Synthesis, characterization, crystal structure, electrochemistry and antibacterial studies","Inorganica Chimica Acta","2013","395","","81","88","10.1016/j.ica.2012.10.030","","","0.71073","MoKα","","0.1404","0.0672","","","0.1807","0.2284","","","","","","1.007","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512891","13.3722","0.0009","20.7095","0.0014","22.3043","0.0016","98.186","0.001","94.368","0.001","100.239","0.001","5983.7","0.7","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H99 Co6 Mo15 N30 O91.5 P6 -","- C42 H42 Co6 Mo15 N30 O91.5 P6 -","- C84 H84 Co12 Mo30 N60 O183 P12 -","2","1","","Stephanie Jones; Kari Darling; Jon Zubieta","Three-dimensional bimetallic oxides constructed from molybdophosphonate chains and secondary-metal/4-pyridyltetrazole components","Inorganica Chimica Acta","2013","395","","89","94","10.1016/j.ica.2012.10.022","","","0.71073","MoKα","","0.0777","0.0508","","","0.1209","0.1372","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512892","13.3222","0.0011","20.5941","0.0017","22.403","0.0018","98.136","0.002","94.315","0.002","100.023","0.002","5960.2","0.8","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H96 Mo15 N30 Ni6 O90 P6 -","- C42 H42 Mo15 N30 Ni6 O90 P6 -","- C84 H84 Mo30 N60 Ni12 O180 P12 -","2","1","","Stephanie Jones; Kari Darling; Jon Zubieta","Three-dimensional bimetallic oxides constructed from molybdophosphonate chains and secondary-metal/4-pyridyltetrazole components","Inorganica Chimica Acta","2013","395","","89","94","10.1016/j.ica.2012.10.022","","","0.71073","MoKα","","0.106","0.0553","","","0.1189","0.1443","","","","","","0.975","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512893","25.662","0.003","15.9357","0.0018","22.211","0.003","90","","114.353","0.002","90","","8274.8","1.8","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H24.5 Cu4 Mo5 N15 O23.75 P2 -","- C20 H19 Cu3.5 Mo5 N15 O23.5 P2 -","- C160 H152 Cu28 Mo40 N120 O188 P16 -","8","1","","Stephanie Jones; Kari Darling; Jon Zubieta","Three-dimensional bimetallic oxides constructed from molybdophosphonate chains and secondary-metal/4-pyridyltetrazole components","Inorganica Chimica Acta","2013","395","","89","94","10.1016/j.ica.2012.10.022","","","0.71073","MoKα","","0.0311","0.0283","","","0.1088","0.112","","","","","","0.949","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512894","13.07","0.0013","10.2542","0.001","22.668","0.002","90","","105.063","0.003","90","","2933.6","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","dichlorido(4-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)-6- methylpyrimidine)copper hemihydrate","","- C13 H12 Cl2 Cu N5 O0.5 -","- C13 H12 Cl2 Cu N5 O0.5 -","- C104 H96 Cl16 Cu8 N40 O4 -","8","1","","Mark B. Bushuev; Yuri V. Gatilov; Elena B. Nikolaenkova; Vladimir G. Vasiliev; Viktor P. Krivopalov","Mono-, di-, tetra- and heptanuclear copper(II) complexes with 4-(3,5-di-R-1H-pyrazol-1-yl)-6-methyl-2-(pyridin-2-yl)pyrimidines (R = H, Me): Syntheses, crystal structures and electrospray ionization mass spectrometry","Inorganica Chimica Acta","2013","395","","95","103","10.1016/j.ica.2012.10.018","","","0.71073","MoKα","","0.0901","0.0531","","","0.1138","0.1368","","","","","","1.122","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512895","9.233","0.002","9.31","0.003","16.356","0.005","90","","92.914","0.013","90","","1404.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dichlorido(4-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)-6-methylpyrimidine)copper","","- C13 H11 Cl2 Cu N5 -","- C13 H11 Cl2 Cu N5 -","- C52 H44 Cl8 Cu4 N20 -","4","1","","Mark B. Bushuev; Yuri V. Gatilov; Elena B. Nikolaenkova; Vladimir G. Vasiliev; Viktor P. Krivopalov","Mono-, di-, tetra- and heptanuclear copper(II) complexes with 4-(3,5-di-R-1H-pyrazol-1-yl)-6-methyl-2-(pyridin-2-yl)pyrimidines (R = H, Me): Syntheses, crystal structures and electrospray ionization mass spectrometry","Inorganica Chimica Acta","2013","395","","95","103","10.1016/j.ica.2012.10.018","","","0.71073","MoKα","","0.103","0.0541","","","0.1065","0.1176","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512896","9.743","0.005","13.755","0.006","15.437","0.008","65.086","0.011","82.287","0.011","87.008","0.015","1859.3","1.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","dodekachloridotetrakis(4-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)-6- methylpyrimidine)heptacopper(2+) hexachloridodicuprate(2-)","","- C52 H44 Cl18 Cu9 N20 -","- C52 H44 Cl18 Cu9 N20 -","- C52 H44 Cl18 Cu9 N20 -","1","0.5","","Mark B. Bushuev; Yuri V. Gatilov; Elena B. Nikolaenkova; Vladimir G. Vasiliev; Viktor P. Krivopalov","Mono-, di-, tetra- and heptanuclear copper(II) complexes with 4-(3,5-di-R-1H-pyrazol-1-yl)-6-methyl-2-(pyridin-2-yl)pyrimidines (R = H, Me): Syntheses, crystal structures and electrospray ionization mass spectrometry","Inorganica Chimica Acta","2013","395","","95","103","10.1016/j.ica.2012.10.018","","","0.71073","MoKα","","0.0782","0.0493","","","0.113","0.1256","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512897","9.1063","0.0006","12.5987","0.0008","14.4209","0.0009","96.15","0.003","90.778","0.003","92.127","0.003","1643.56","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","dichlorido(4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)-6- methylpyrimidine)copper","","- C15 H15 Cl2 Cu N5 -","- C15 H15 Cl2 Cu N5 -","- C60 H60 Cl8 Cu4 N20 -","4","2","","Mark B. Bushuev; Yuri V. Gatilov; Elena B. Nikolaenkova; Vladimir G. Vasiliev; Viktor P. Krivopalov","Mono-, di-, tetra- and heptanuclear copper(II) complexes with 4-(3,5-di-R-1H-pyrazol-1-yl)-6-methyl-2-(pyridin-2-yl)pyrimidines (R = H, Me): Syntheses, crystal structures and electrospray ionization mass spectrometry","Inorganica Chimica Acta","2013","395","","95","103","10.1016/j.ica.2012.10.018","","","0.71073","MoKα","","0.1218","0.0477","","","0.1093","0.1434","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512898","8.6809","0.0004","11.9593","0.0005","18.8121","0.0008","90","","101.024","0.001","90","","1916.99","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tetrachlorido(4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)-6- methylpyrimidine)dicopper","","- C15 H15 Cl4 Cu2 N5 -","- C15 H15 Cl4 Cu2 N5 -","- C60 H60 Cl16 Cu8 N20 -","4","1","","Mark B. Bushuev; Yuri V. Gatilov; Elena B. Nikolaenkova; Vladimir G. Vasiliev; Viktor P. Krivopalov","Mono-, di-, tetra- and heptanuclear copper(II) complexes with 4-(3,5-di-R-1H-pyrazol-1-yl)-6-methyl-2-(pyridin-2-yl)pyrimidines (R = H, Me): Syntheses, crystal structures and electrospray ionization mass spectrometry","Inorganica Chimica Acta","2013","395","","95","103","10.1016/j.ica.2012.10.018","","","0.71073","MoKα","","0.0316","0.0238","","","0.0675","0.0834","","","","","","1.238","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512899","20.1333","0.0006","11.6425","0.0006","17.1806","0.0006","90","","112.518","0.002","90","","3720.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","octachloridobis(4-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(pyridin-2-yl)-6- methylpyrimidine)tetracopper","","- C30 H30 Cl8 Cu4 N10 -","- C30 H30 Cl8 Cu4 N10 -","- C120 H120 Cl32 Cu16 N40 -","4","0.5","","Mark B. Bushuev; Yuri V. Gatilov; Elena B. Nikolaenkova; Vladimir G. Vasiliev; Viktor P. Krivopalov","Mono-, di-, tetra- and heptanuclear copper(II) complexes with 4-(3,5-di-R-1H-pyrazol-1-yl)-6-methyl-2-(pyridin-2-yl)pyrimidines (R = H, Me): Syntheses, crystal structures and electrospray ionization mass spectrometry","Inorganica Chimica Acta","2013","395","","95","103","10.1016/j.ica.2012.10.018","","","0.71073","MoKα","","0.0468","0.0303","","","0.0718","0.0785","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512900","15.21","0.005","16.146","0.005","21.18","0.007","90","","102.499","0.007","90","","5078","3","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 O13 Ti3 -","- C36 H24 O13 Ti3 -","- C144 H96 O52 Ti12 -","4","1","","Timothy J. Boyle; Louis J. Tribby; Todd M. Alam; Scott D. Bunge; Gregory P. Holland","Catechol derivatives of Group 4 and 5 compounds","Personal Communication to COD","2013","","","","","","","","0.71073","MoKα","","0.2089","0.0916","","","0.1984","0.2275","","","","","","0.854","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512901","23.432","0.005","15.464","0.004","28.175","0.007","90","","98.929","0.004","90","","10086","4","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2) [Zr(cat)2(py)]4","","","- C68 H52 N4 O17 Zr4 -","- C68 H52 N4 O17 Zr4 -","- C272 H208 N16 O68 Zr16 -","4","1","","Timothy J. Boyle; Louis J. Tribby; Todd M. Alam; Scott D. Bunge; Gregory P. Holland","Catechol derivatives of Group 4 and 5 compounds","Personal Communication to COD","2013","","","","","","","","0.71073","MoKα","","0.1883","0.1186","","","0.3028","0.3372","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512912","14.316","0.002","14.728","0.002","25.401","0.004","81.535","0.003","84.447","0.003","61.118","0.003","4636.4","1.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","(9a) Zr5(m-O)3(OPc)6(Onep)8","","","- C64 H130 O23 Zr5 -","- C64 H130 O23 Zr5 -","- C128 H260 O46 Zr10 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Personal Communication to COD","2013","","","","","","","","0.71073","MoKα","","0.1244","0.0783","","","0.1829","0.2053","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512913","10.8196","0.0008","19.1126","0.0014","12.074","0.0009","90","","93.189","0.001","90","","2492.9","0.3","168","2","168","2","","","","","","","","4","P 1 21 1","P 2yb","4","(10) Zr2(OBc)(ONep)7","","","- C40 H86 O9 Zr2 -","- C40 H86 O9 Zr2 -","- C80 H172 O18 Zr4 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Personal Communication to COD","2013","","","","","","","","0.71073","MoKα","","0.1045","0.0987","","","0.2869","0.2948","","","","","","1.326","","","","has coordinates","205758","2020-10-21","18:00:00",""
"1512947","8.0694","0.0009","8.4231","0.001","16.5708","0.0019","79.939","0.002","88.563","0.002","76.781","0.002","1079.5","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H62 Ba O20 -","- C32 H62 Ba O20 -","- C32 H62 Ba O20 -","1","0.5","","Sergei E. Nefedov; Elena V. Kushan; Marina A. Uvarova; Natalia Yu. Kozitsyna; Michael N. Vargaftik; Ilya I. Moiseev","Unexpected retention of the Pd-Ba heterobimetallic structure upon Pd(mu-OOCMe)4Ba(HOOCMe)4 to 18-crown-6 attachment","Inorganica Chimica Acta","2013","395","","104","108","10.1016/j.ica.2012.10.008","","","0.71073","MoKα","","0.0381","0.0381","","","0.0982","0.0982","","","","","","1.116","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512948","12.7761","0.0014","16.6367","0.0014","18.8337","0.0018","90","","90","","90","","4003.1","0.7","120","2","120","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C24.5 H54 Ba O14 Pd -","- C24.5 H40.5 Ba O14 Pd -","- C98 H162 Ba4 O56 Pd4 -","4","0.25","","Sergei E. Nefedov; Elena V. Kushan; Marina A. Uvarova; Natalia Yu. Kozitsyna; Michael N. Vargaftik; Ilya I. Moiseev","Unexpected retention of the Pd-Ba heterobimetallic structure upon Pd(mu-OOCMe)4Ba(HOOCMe)4 to 18-crown-6 attachment","Inorganica Chimica Acta","2013","395","","104","108","10.1016/j.ica.2012.10.008","","","0.71073","MoKα","","0.1177","0.0637","","","0.1637","0.2038","","","","","","1.037","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512949","8.563","0.004","18.336","0.007","9.128","0.004","90","","94.33","0.006","90","","1429.1","1.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H38 Ba O15 Pd -","- C20 H38 Ba O15 Pd -","- C40 H76 Ba2 O30 Pd2 -","2","1","","Sergei E. Nefedov; Elena V. Kushan; Marina A. Uvarova; Natalia Yu. Kozitsyna; Michael N. Vargaftik; Ilya I. Moiseev","Unexpected retention of the Pd-Ba heterobimetallic structure upon Pd(mu-OOCMe)4Ba(HOOCMe)4 to 18-crown-6 attachment","Inorganica Chimica Acta","2013","395","","104","108","10.1016/j.ica.2012.10.008","","","0.71073","MoKα","","0.0347","0.0273","","","0.0367","0.0379","","","","","","0.941","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512950","10.2782","0.0008","6.7755","0.0005","29.893","0.002","90","","91.903","0.002","90","","2080.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Ag F3 N6 O3 -","- C20 H16 Ag F3 N6 O3 -","- C80 H64 Ag4 F12 N24 O12 -","4","1","","Jian Guo; Cheng-Peng Li; Miao Du","Solvent-regulated assemblies of silver(I) and cadmium(II) supramolecular complexes with versatile tripyridyltriazole multidentate ligands","Inorganica Chimica Acta","2013","395","","212","217","10.1016/j.ica.2012.10.014","","","0.71073","MoKα","","0.0753","0.0555","","","0.1435","0.1572","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512951","7.1707","0.0009","14.5252","0.0018","14.9651","0.0019","63.842","0.002","77.234","0.002","89.876","0.002","1356.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H14.75 Ag2 F6 N6.75 O4.25 -","- C22.5 H12 Ag2 F6 N6.75 O4.25 -","- C45 H24 Ag4 F12 N13.5 O8.5 -","2","1","","Jian Guo; Cheng-Peng Li; Miao Du","Solvent-regulated assemblies of silver(I) and cadmium(II) supramolecular complexes with versatile tripyridyltriazole multidentate ligands","Inorganica Chimica Acta","2013","395","","212","217","10.1016/j.ica.2012.10.014","","","0.71073","MoKα","","0.0437","0.0362","","","0.1036","0.1101","","","","","","1.055","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512952","8.3752","0.0007","9.7463","0.0008","12.5595","0.0011","77.464","0.001","81.663","0.001","89.535","0.001","989.89","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cd2 I4 N12 -","- C34 H24 Cd2 I4 N12 -","- C34 H24 Cd2 I4 N12 -","1","0.5","","Jian Guo; Cheng-Peng Li; Miao Du","Solvent-regulated assemblies of silver(I) and cadmium(II) supramolecular complexes with versatile tripyridyltriazole multidentate ligands","Inorganica Chimica Acta","2013","395","","212","217","10.1016/j.ica.2012.10.014","","","0.71073","MoKα","","0.0339","0.0277","","","0.0603","0.0632","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512953","13.404","0.0019","14.696","0.002","17.14","0.004","99.668","0.003","104.125","0.003","117.122","0.002","2757.5","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H90 Cd4 I8 N30 O6 -","- C86 H90 Cd4 I8 N30 O6 -","- C86 H90 Cd4 I8 N30 O6 -","1","0.5","","Jian Guo; Cheng-Peng Li; Miao Du","Solvent-regulated assemblies of silver(I) and cadmium(II) supramolecular complexes with versatile tripyridyltriazole multidentate ligands","Inorganica Chimica Acta","2013","395","","212","217","10.1016/j.ica.2012.10.014","","","0.71073","MoKα","","0.1199","0.0574","","","0.119","0.1463","","","","","","0.977","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512954","11.8","0.004","14.935","0.005","17.186","0.006","90","","90","","90","","3028.7","1.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cu Gd N5 O14 -","- C25 H32 Cu Gd N5 O14 -","- C100 H128 Cu4 Gd4 N20 O56 -","4","1","","Yan Sui; Dong-Sheng Liu; Rong-Hua Hu; Jian-Gen Huang","One-dimensional zigzag chain of Cu-Gd coordination polymers derived from chiral hexadentate Schiff base ligands: Synthesis, structure and magnetic properties","Inorganica Chimica Acta","2013","395","","225","229","10.1016/j.ica.2012.10.035","","","0.71073","MoKα","","0.0609","0.0593","","","0.1521","0.153","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512955","11.87","0.006","14.995","0.008","17.229","0.009","90","","90","","90","","3067","3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cu Gd N5 O14 -","- C25 H32 Cu Gd N5 O14 -","- C100 H128 Cu4 Gd4 N20 O56 -","4","1","","Yan Sui; Dong-Sheng Liu; Rong-Hua Hu; Jian-Gen Huang","One-dimensional zigzag chain of Cu-Gd coordination polymers derived from chiral hexadentate Schiff base ligands: Synthesis, structure and magnetic properties","Inorganica Chimica Acta","2013","395","","225","229","10.1016/j.ica.2012.10.035","","","0.71073","MoKα","","0.1467","0.1001","","","0.1767","0.2148","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512956","10.4723","0.0008","12.2097","0.0006","24.1589","0.0015","90","","90","","90","","3089","0.3","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C17 H13 N O3 S Ti -","- C17 H13 N O3 S Ti -","- C136 H104 N8 O24 S8 Ti8 -","8","","","Suryabhan Singh; Subrato Bhattacharya","Studies of titanocene and zirconocene pyridine-2,6-bis-thiocarboxylates exhibiting partial desulfurization","Inorganica Chimica Acta","2013","395","","230","236","10.1016/j.ica.2012.11.014","","","0.71073","MoKα","","0.0931","0.064","","","0.1635","0.1807","","","","","","0.854","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512957","11.964","0.011","8.167","0.004","7.678","0.005","90","","90","","90","","750.2","0.9","293","2","293","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C17 H13 N O3.5 S0.5 Ti -","- C17 H13 N O3.6 S0.4 Ti -","- C34 H26 N2 O7.2 S0.8 Ti2 -","2","0.5","","Suryabhan Singh; Subrato Bhattacharya","Studies of titanocene and zirconocene pyridine-2,6-bis-thiocarboxylates exhibiting partial desulfurization","Inorganica Chimica Acta","2013","395","","230","236","10.1016/j.ica.2012.11.014","","","0.71073","MoKα","","0.1392","0.073","","","0.1744","0.2326","","","","","","0.982","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512958","8.0004","0.0013","7.7109","0.001","11.5957","0.0014","90","","95.946","0.012","90","","711.49","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H13 N O4 Ti -","- C17 H13 N O4 Ti -","- C34 H26 N2 O8 Ti2 -","2","1","","Suryabhan Singh; Subrato Bhattacharya","Studies of titanocene and zirconocene pyridine-2,6-bis-thiocarboxylates exhibiting partial desulfurization","Inorganica Chimica Acta","2013","395","","230","236","10.1016/j.ica.2012.11.014","","","0.71073","MoKα","","0.0925","0.085","","","0.2254","0.2351","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512959","11.948","0.005","8.28","0.005","7.847","0.005","90","0.005","90","0.005","90","0.005","776.3","0.8","293","2","293","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C17 H13 N O3.41 S0.59 Zr -","- C17 H13 N O3.406 S0.594 Zr -","- C34 H26 N2 O6.812 S1.188 Zr2 -","2","0.5","","Suryabhan Singh; Subrato Bhattacharya","Studies of titanocene and zirconocene pyridine-2,6-bis-thiocarboxylates exhibiting partial desulfurization","Inorganica Chimica Acta","2013","395","","230","236","10.1016/j.ica.2012.11.014","","","0.71073","MoKα","","0.0504","0.0312","","","0.0656","0.0712","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512960","10.258","0.0003","25.388","0.0008","10.791","0.0003","90","","102.441","0.001","90","","2744.31","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 O3 P Rh -","- C32 H30 O3 P Rh -","- C128 H120 O12 P4 Rh4 -","4","1","","Nomampondomise F. Stuurman; Alfred Muller; Jeanet Conradie","Conformational analysis of triphenylphosphine in square planar [Rh(beta-diketonato)(CO)(PPh3)] complexes. Crystal structure of [Rh(PhCOCHCO(CH2)3CH3)(CO)(PPh3)]","Inorganica Chimica Acta","2013","395","","237","244","10.1016/j.ica.2012.11.001","","","0.71069","MoKα","","0.0506","0.0452","","","","0.0913","","","","","","1.339","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512961","10.1925","0.0014","13.5594","0.0018","14.398","0.002","101.682","0.004","107.52","0.004","99.189","0.004","1805.6","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C34.5 H35 Cl Mn2 N4 O12 -","- C34.5 H35 Cl Mn2 N4 O12 -","- C69 H70 Cl2 Mn4 N8 O24 -","2","1","","Paramita Kar; Ashutosh Ghosh","Synthesis, structure and alkene epoxidation activity of an alternating phenoxido and formato bridged manganese(III)-salen complex","Inorganica Chimica Acta","2013","395","","67","71","10.1016/j.ica.2012.10.012","","","0.71073","MoKα","","0.1656","0.0771","","","0.1994","0.2565","","","","","","0.984","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512962","10.2477","0.0003","10.492","0.0002","10.9152","0.0003","90","","111.179","0.003","90","","1094.32","0.05","120","0.1","120","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Cl2 Cu N4 O8 -","- C16 H32 Cl2 Cu N4 O8 -","- C32 H64 Cl4 Cu2 N8 O16 -","2","0.5","","Neil F. Curtis; Jan Wikaira","meso-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradec-4,11-diene) copper(II) perchlorate; an unexpected preparation and structure determination","Inorganica Chimica Acta","2013","396","","14","16","10.1016/j.ica.2012.11.027","","","1.54184","CuKα","","0.0288","0.0267","","","0.0721","0.0737","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512963","10.9446","0.0018","13.11","0.002","10.945","","90","","90","","90","","1570.4","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H16 Ba N6 O2 S2 -","- C8 H16 Ba N6 O2 S2 -","- C32 H64 Ba4 N24 O8 S8 -","4","0.5","","Wenjun Zheng; Dongming Yang","1,2,4-Triazolato barium complex: The layered polymeric planar structure with an nu2-nu2,nu1 bridging coordination","Inorganica Chimica Acta","2013","396","","21","24","10.1016/j.ica.2012.12.027","","","0.71073","MoKα","","0.0216","0.0169","","","0.0486","0.0528","","","","","","0.81","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512964","19.628","0.001","30.001","0.002","37.205","0.001","90","","90","","90","","21908.5","1.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C245.2 H208 N8 O23.05 U3 -","- C245.2 H208 N8 O23.05 U3 -","- C980.8 H832 N32 O92.2 U12 -","4","1","","Giovanna Brancatelli; Andrea Pappalardo; Giuseppe Trusso Sfrazzetto; Anna Notti; Silvano Geremia","Mono- and dinuclear uranyl(VI) complexes with chiral Schiff base ligand","Inorganica Chimica Acta","2013","396","","25","29","10.1016/j.ica.2012.12.034","","","0.7","synchrotron","","0.0732","0.0611","","","0.16","0.171","","","","","","1.015","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512965","7.4582","0.0002","7.4654","0.0002","41.4496","0.0012","90","","90","","90","","2307.85","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N8 O10 Zn -","- C18 H22 N8 O10 Zn -","- C72 H88 N32 O40 Zn4 -","4","1","","Konstantis F. Konidaris; Maria Giouli; Catherine P. Raptopoulou; Vassilis Psycharis; Ioannis I. Verginadis; Anastasios Vasiliadis; Amalia S. Afendra; Spyridon Karkabounas; Evy Manessi-Zoupa; Theocharis C. Stamatatos","Employment of pyridyl oximes and dioximes in zinc(II) chemistry: Synthesis, structural and spectroscopic characterization, and biological evaluation","Inorganica Chimica Acta","2013","396","","49","59","10.1016/j.ica.2012.09.039","","","1.54187","CuKα","","0.097","0.0833","","","0.2051","0.2261","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512966","7.0635","0.0001","7.0866","0.0001","50.7469","0.0012","90","","90","","90","","2540.2","0.08","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 N12 O14 Zn -","- C14 H24 N12 O14 Zn -","- C56 H96 N48 O56 Zn4 -","4","1","","Konstantis F. Konidaris; Maria Giouli; Catherine P. Raptopoulou; Vassilis Psycharis; Ioannis I. Verginadis; Anastasios Vasiliadis; Amalia S. Afendra; Spyridon Karkabounas; Evy Manessi-Zoupa; Theocharis C. Stamatatos","Employment of pyridyl oximes and dioximes in zinc(II) chemistry: Synthesis, structural and spectroscopic characterization, and biological evaluation","Inorganica Chimica Acta","2013","396","","49","59","10.1016/j.ica.2012.09.039","","","1.54178","CuKα","","0.0525","0.0475","","","0.1108","0.12","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512967","13.0176","0.001","13.0176","0.001","19.955","0.0014","90","","90","","120","","2928.5","0.4","293","2","293","2","","","","","","","","6","P 31","P 31","144","","","","- C39 H29 O3 P S6 Zn -","- C39 H29 O3 P S6 Zn -","- C117 H87 O9 P3 S18 Zn3 -","3","1","","Suryabhan Singh; Jyotsna Chaturvedi; A.S. Aditya; N. Rajasekhar Reddy; Subrato Bhattacharya","Syntheses and structural studies of heterobimetallic thiocarboxylate complexes containing zinc and copper","Inorganica Chimica Acta","2013","396","","6","9","10.1016/j.ica.2012.11.022","","","0.71073","MoKα","","0.1834","0.086","","","0.2121","0.294","","","","","","1.003","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512968","12.2553","0.0006","14.0872","0.0004","29.2874","0.0009","90","","90","","90","","5056.3","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H45 Cu O3 P2 S3 Zn -","- C57 H45 Cu O3 P2 S3 Zn -","- C228 H180 Cu4 O12 P8 S12 Zn4 -","4","1","","Suryabhan Singh; Jyotsna Chaturvedi; A.S. Aditya; N. Rajasekhar Reddy; Subrato Bhattacharya","Syntheses and structural studies of heterobimetallic thiocarboxylate complexes containing zinc and copper","Inorganica Chimica Acta","2013","396","","6","9","10.1016/j.ica.2012.11.022","","","0.71073","MoKα","","0.0685","0.0501","","","0.1127","0.1186","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512969","10.553","0.005","20.054","0.005","25.727","0.005","90","0.005","92.567","0.005","90","0.005","5439","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H47 Cu O4 P2 S6 Zn -","- C55 H47 Cu O4 P2 S6 Zn -","- C220 H188 Cu4 O16 P8 S24 Zn4 -","4","1","","Suryabhan Singh; Jyotsna Chaturvedi; A.S. Aditya; N. Rajasekhar Reddy; Subrato Bhattacharya","Syntheses and structural studies of heterobimetallic thiocarboxylate complexes containing zinc and copper","Inorganica Chimica Acta","2013","396","","6","9","10.1016/j.ica.2012.11.022","","","0.71073","MoKα","","0.0901","0.0588","","","0.1272","0.1448","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512970","11.1333","0.0004","10.3317","0.0003","31.2018","0.001","90","","98.1855","0.0003","90","","3552.5","0.2","88","2","88","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H52 Hf N4 O2 -","- C37 H52 Hf N4 O2 -","- C148 H208 Hf4 N16 O8 -","4","1","","Diego Gonzalez-Flores; Siddappa A. Patil; Phillip A. Medina; Seth Dever; Chananate Uthaisar; Leslie W. Pineda; Mavis L. Montero; Joseph W. Ziller; Bradley D. Fahlman","Synthesis of hafnium(IV) beta-ketoiminates as potential precursors for the MOCVD of HfO2","Inorganica Chimica Acta","2013","396","","60","65","10.1016/j.ica.2012.10.002","","","0.71073","MoKα","","0.0174","0.016","","","0.0379","0.0384","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512971","18.1654","0.0007","9.0233","0.0003","17.0661","0.0006","90","","97.7347","0.0004","90","","2771.89","0.17","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Hf N4 O2 -","- C28 H40 Hf N4 O2 -","- C112 H160 Hf4 N16 O8 -","4","1","","Diego Gonzalez-Flores; Siddappa A. Patil; Phillip A. Medina; Seth Dever; Chananate Uthaisar; Leslie W. Pineda; Mavis L. Montero; Joseph W. Ziller; Bradley D. Fahlman","Synthesis of hafnium(IV) beta-ketoiminates as potential precursors for the MOCVD of HfO2","Inorganica Chimica Acta","2013","396","","60","65","10.1016/j.ica.2012.10.002","","","0.71073","MoKα","","0.0147","0.0134","","","0.0334","0.0339","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512972","8.8242","0.0017","10.931","0.002","12.043","0.002","66.977","0.002","83.821","0.002","77.396","0.002","1043","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H23 Cl Cu N2 O7 -","- C19 H23 Cl Cu N2 O7 -","- C38 H46 Cl2 Cu2 N4 O14 -","2","1","","Pallab Bhowmik; Shouvik Chattopadhyay; Ashutosh Ghosh","Synthesis and structure of mono-, di- and tri-nuclear copper(II) benzoate complexes with a tridentate N2O donor Schiff base ligand","Inorganica Chimica Acta","2013","396","","66","71","10.1016/j.ica.2012.10.003","","","0.71073","MoKα","","0.0534","0.0404","","","0.1064","0.114","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512973","13.452","0.002","17.648","0.003","7.421","0.0017","90","","108.58","0.005","90","","1669.9","0.5","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H39 Cl Cu2 N4 O8 -","- C31 H39 Cl Cu2 N4 O8 -","- C62 H78 Cl2 Cu4 N8 O16 -","2","0.5","","Pallab Bhowmik; Shouvik Chattopadhyay; Ashutosh Ghosh","Synthesis and structure of mono-, di- and tri-nuclear copper(II) benzoate complexes with a tridentate N2O donor Schiff base ligand","Inorganica Chimica Acta","2013","396","","66","71","10.1016/j.ica.2012.10.003","","","0.71073","MoKα","","0.1128","0.0993","","","0.2918","0.3028","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512974","14.0418","0.0004","25.1942","0.0006","13.883","0.0003","90","","95.696","0.001","90","","4887.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Cl Cu3 N7 O18 -","- C45 H41 Cl Cu3 N7 O18 -","- C180 H164 Cl4 Cu12 N28 O72 -","4","1","","Pallab Bhowmik; Shouvik Chattopadhyay; Ashutosh Ghosh","Synthesis and structure of mono-, di- and tri-nuclear copper(II) benzoate complexes with a tridentate N2O donor Schiff base ligand","Inorganica Chimica Acta","2013","396","","66","71","10.1016/j.ica.2012.10.003","","","0.71073","MoKα","","0.0593","0.0388","","","0.0967","0.1064","","","","","","1.021","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512975","23.719","0.002","10.757","0.0009","16.0846","0.0013","90","","105.226","0.002","90","","3959.9","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 N2 O14 Zn3 -","- C36 H38 N2 O14 Zn3 -","- C144 H152 N8 O56 Zn12 -","4","0.5","","De-Yun Ma; Kuan Lu; Liang Qin; Hai-Fu Guo; Xiong-Yi Peng; Jian-Qiang Liu","Syntheses, crystal structures, substituents steric effect, luminescent and moisture-stability studies of three two-dimensional zinc-organic frameworks","Inorganica Chimica Acta","2013","396","","84","91","10.1016/j.ica.2012.10.006","","","0.71073","MoKα","","0.0507","0.0348","","","0.0885","0.1007","","","","","","1.039","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512976","11.8253","0.0018","17.268","0.003","19.299","0.003","90","","90","","90","","3940.8","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 O4 Zn -","- C21 H19 N3 O4 Zn -","- C168 H152 N24 O32 Zn8 -","8","1","","De-Yun Ma; Kuan Lu; Liang Qin; Hai-Fu Guo; Xiong-Yi Peng; Jian-Qiang Liu","Syntheses, crystal structures, substituents steric effect, luminescent and moisture-stability studies of three two-dimensional zinc-organic frameworks","Inorganica Chimica Acta","2013","396","","84","91","10.1016/j.ica.2012.10.006","","","0.71073","MoKα","","0.1186","0.0641","","","0.1718","0.2067","","","","","","1.015","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512977","8.458","0.0007","21.6474","0.0018","9.4309","0.0008","90","","109.884","0.002","90","","1623.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H29 N3 O9 Zn2 -","- C32 H29 N3 O9 Zn2 -","- C64 H58 N6 O18 Zn4 -","2","0.5","","De-Yun Ma; Kuan Lu; Liang Qin; Hai-Fu Guo; Xiong-Yi Peng; Jian-Qiang Liu","Syntheses, crystal structures, substituents steric effect, luminescent and moisture-stability studies of three two-dimensional zinc-organic frameworks","Inorganica Chimica Acta","2013","396","","84","91","10.1016/j.ica.2012.10.006","","","0.71073","MoKα","","0.0432","0.0352","","","0.0976","0.1029","","","","","","1.086","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1512993","11.0211","0.001","11.0211","0.001","31.958","0.006","90","","90","","120","","3361.7","0.8","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 N24 Ni -","- C24 H48 B2 F8 N24 Ni -","- C72 H144 B6 F24 N72 Ni3 -","3","0.166667","","Nader Hassan; Julia Stelzl; Peter Weinberger; Gabor Molnar; Azzedine Bousseksou; Frank Kubel; Kurt Mereiter; Roman Boca; Wolfgang Linert","Spectroscopic, structural and magnetic investigations of iron(II) complexes based on 1-isopropyl- and 1-isobutyl-substituted tetrazole ligands","Inorganica Chimica Acta","2013","396","","92","100","10.1016/j.ica.2012.10.007","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512994","10.8629","0.0003","10.8629","0.0003","36.4816","0.0016","90","","90","","120","","3728.2","0.2","","","","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H60 B2 F8 N24 Ni -","- C30 H60 B2 F8 N24 Ni -","- C90 H180 B6 F24 N72 Ni3 -","3","0.166667","","Nader Hassan; Julia Stelzl; Peter Weinberger; Gabor Molnar; Azzedine Bousseksou; Frank Kubel; Kurt Mereiter; Roman Boca; Wolfgang Linert","Spectroscopic, structural and magnetic investigations of iron(II) complexes based on 1-isopropyl- and 1-isobutyl-substituted tetrazole ligands","Inorganica Chimica Acta","2013","396","","92","100","10.1016/j.ica.2012.10.007","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512995","8.486","0.003","10.694","0.004","11.541","0.004","74.122","0.005","68.625","0.005","68.974","0.005","898","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Co K2 O12 -","- C10 H20 Co K2 O12 -","- C20 H40 Co2 K4 O24 -","2","1","","Ekaterina N. Zorina; Natalya V. Zauzolkova; Aleksei A. Sidorov; Grigory G. Aleksandrov; Anatoly S. Lermontov; Mikhail A. Kiskin; Artem S. Bogomyakov; Vladimir S. Mironov; Vladimir M. Novotortsev; Igor L. Eremenko","Novel polynuclear architectures incorporating Co2+ and K+ ions bound by dimethylmalonate anions: Synthesis, structure, and magnetic properties","Inorganica Chimica Acta","2013","396","","108","118","10.1016/j.ica.2012.10.016","","","0.71073","MoKα","","0.0361","0.0302","","","0.0735","0.076","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512996","22.053","0.001","28.8254","0.0014","24.7174","0.0012","90","","90.0248","0.0008","90","","15712.5","1.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C150 H374 Co36 K6 O226 -","- C150 H200 Co36 K6 O226 -","- C300 H400 Co72 K12 O452 -","2","0.5","","Ekaterina N. Zorina; Natalya V. Zauzolkova; Aleksei A. Sidorov; Grigory G. Aleksandrov; Anatoly S. Lermontov; Mikhail A. Kiskin; Artem S. Bogomyakov; Vladimir S. Mironov; Vladimir M. Novotortsev; Igor L. Eremenko","Novel polynuclear architectures incorporating Co2+ and K+ ions bound by dimethylmalonate anions: Synthesis, structure, and magnetic properties","Inorganica Chimica Acta","2013","396","","108","118","10.1016/j.ica.2012.10.016","","","0.71073","MoKα","","0.09","0.07","","","0.195","0.218","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512997","18.601","0.003","17.417","0.002","14.613","0.002","90","","90.711","0.002","90","","4733.9","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Br4 Ni4 O16 -","- C36 H44 Br4 Ni4 O16 -","- C144 H176 Br16 Ni16 O64 -","4","1","","Shu-Hua Zhang; Yi Dong Zhang; Hua Hong Zou; Jing Jing Guo; He Ping Li; You Song; Hong Liang","A family of cubane cobalt and nickel clusters: Syntheses, structures and magnetic properties","Inorganica Chimica Acta","2013","396","","119","125","10.1016/j.ica.2012.10.032","","","0.71073","MoKα","","0.3643","0.163","","","0.2848","0.3798","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512998","22.447","0.002","22.447","0.002","9.628","0.001","90","","90","","90","","4851.2","0.8","173","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C40 H56 Ni4 O20 -","- C40 H56 Ni4 O20 -","- C160 H224 Ni16 O80 -","4","0.25","","Shu-Hua Zhang; Yi Dong Zhang; Hua Hong Zou; Jing Jing Guo; He Ping Li; You Song; Hong Liang","A family of cubane cobalt and nickel clusters: Syntheses, structures and magnetic properties","Inorganica Chimica Acta","2013","396","","119","125","10.1016/j.ica.2012.10.032","","","0.71073","MoKα","","0.0617","0.0358","","","0.08","0.0934","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1512999","16.915","0.002","18.429","0.002","15.172","0.002","90","","92.376","0.002","90","","4725.4","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Cl8 Co4 O16 -","- C36 H40 Cl8 Co4 O16 -","- C144 H160 Cl32 Co16 O64 -","4","1","","Shu-Hua Zhang; Yi Dong Zhang; Hua Hong Zou; Jing Jing Guo; He Ping Li; You Song; Hong Liang","A family of cubane cobalt and nickel clusters: Syntheses, structures and magnetic properties","Inorganica Chimica Acta","2013","396","","119","125","10.1016/j.ica.2012.10.032","","","0.71073","MoKα","","0.0679","0.0382","","","0.0922","0.1084","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513000","22.105","0.002","22.105","0.002","9.754","0.002","90","","90","","90","","4766.1","1.2","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C40 H56 Co4 O20 -","- C40 H56 Co4 O20 -","- C160 H224 Co16 O80 -","4","0.25","","Shu-Hua Zhang; Yi Dong Zhang; Hua Hong Zou; Jing Jing Guo; He Ping Li; You Song; Hong Liang","A family of cubane cobalt and nickel clusters: Syntheses, structures and magnetic properties","Inorganica Chimica Acta","2013","396","","119","125","10.1016/j.ica.2012.10.032","","","0.71073","MoKα","","0.073","0.0538","","","0.1331","0.1478","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513001","9.6063","0.0014","44.885","0.006","11.7452","0.0017","90","","105.927","0.002","90","","4869.9","1.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C36 H40 Cl8 Ni4 O16 -","- C36 H40 Cl8 Ni4 O16 -","- C144 H160 Cl32 Ni16 O64 -","4","1","","Shu-Hua Zhang; Yi Dong Zhang; Hua Hong Zou; Jing Jing Guo; He Ping Li; You Song; Hong Liang","A family of cubane cobalt and nickel clusters: Syntheses, structures and magnetic properties","Inorganica Chimica Acta","2013","396","","119","125","10.1016/j.ica.2012.10.032","","","0.71073","MoKα","","0.058","0.0474","","","0.1184","0.1244","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513002","8.6046","0.0012","27.135","0.004","18.405","0.003","90","","90.415","0.003","90","","4297.2","1.1","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","copper imidazole based phoshomolybdate","","","- C18 H28 Cu Mo5 N12 O28 P2 -","- C18 H28 Cu Mo5 N12 O28 P2 -","- C72 H112 Cu4 Mo20 N48 O112 P8 -","4","1","","Jency Thomas; Dinesh Kumar; Arunachalam Ramanan","Crystallization of phosphomolybdate clusters mediated by copper azole complexes: Influence of pH and temperature","Inorganica Chimica Acta","2013","396","","126","135","10.1016/j.ica.2012.10.034","","","0.71073","MoKα","","0.0953","0.0887","","","0.1485","0.151","","","","","","1.396","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513003","14.568","0.006","21.181","0.008","16.619","0.006","90","","90","","90","","5128","3","298","2","298","2","","","","","","","","7","P n m a","-P 2ac 2n","62","copper imidazole based phoshomolybdate","","","- C27 H37 Cu2 Mo5 N18 O26 P2 -","- C27 H37 Cu2 Mo5 N18 O26 P2 -","- C108 H148 Cu8 Mo20 N72 O104 P8 -","4","0.5","","Jency Thomas; Dinesh Kumar; Arunachalam Ramanan","Crystallization of phosphomolybdate clusters mediated by copper azole complexes: Influence of pH and temperature","Inorganica Chimica Acta","2013","396","","126","135","10.1016/j.ica.2012.10.034","","","0.71073","MoKα","","0.0682","0.0576","","","0.108","0.1121","","","","","","1.342","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513004","12.8917","0.0018","18.165","0.003","16.881","0.002","90","","94.444","0.002","90","","3941.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","phoshomolybdates","","","- C15 H25 Mo5 N10 O27 P2 -","- C15 H25 Mo5 N10 O27 P2 -","- C60 H100 Mo20 N40 O108 P8 -","4","1","","Jency Thomas; Dinesh Kumar; Arunachalam Ramanan","Crystallization of phosphomolybdate clusters mediated by copper azole complexes: Influence of pH and temperature","Inorganica Chimica Acta","2013","396","","126","135","10.1016/j.ica.2012.10.034","","","0.71073","MoKα","","0.0772","0.0603","","","0.1188","0.1313","","","","","","1.412","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513005","8.8032","0.0015","23.534","0.004","20.553","0.004","90","","90","","90","","4258.1","1.3","298","2","298","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C21 H31 Cu2 Mo5 N14 O23 P2 -","- C21 H31 Cu2 Mo5 N14 O23 P2 -","- C84 H124 Cu8 Mo20 N56 O92 P8 -","4","0.5","","Jency Thomas; Dinesh Kumar; Arunachalam Ramanan","Crystallization of phosphomolybdate clusters mediated by copper azole complexes: Influence of pH and temperature","Inorganica Chimica Acta","2013","396","","126","135","10.1016/j.ica.2012.10.034","","","0.71073","MoKα","","0.1123","0.0893","","","0.1565","0.1656","","","","","","1.211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513006","8.77","0.003","18.565","0.006","13.97","0.005","90","","107.916","0.006","90","","2164.2","1.3","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C21 H31 Cu2 Mo5 N14 O27 P2 -","- C21 H31 Cu2 Mo5 N14 O27 P2 -","- C42 H62 Cu4 Mo10 N28 O54 P4 -","2","0.5","","Jency Thomas; Dinesh Kumar; Arunachalam Ramanan","Crystallization of phosphomolybdate clusters mediated by copper azole complexes: Influence of pH and temperature","Inorganica Chimica Acta","2013","396","","126","135","10.1016/j.ica.2012.10.034","","","0.71073","MoKα","","0.085","0.0708","","","0.1242","0.1277","","","","","","1.582","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513007","15.141","0.002","15.335","0.002","15.446","0.003","111.197","0.002","90.176","0.003","119.109","0.002","2850","0.8","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H62 Cu4 Mo12 N28 Na O71 P8 -","- C42 H62 Cu4 Mo12 N28 Na O71 P8 -","- C42 H62 Cu4 Mo12 N28 Na O71 P8 -","1","0.5","","Jency Thomas; Dinesh Kumar; Arunachalam Ramanan","Crystallization of phosphomolybdate clusters mediated by copper azole complexes: Influence of pH and temperature","Inorganica Chimica Acta","2013","396","","126","135","10.1016/j.ica.2012.10.034","","","0.71073","MoKα","","0.0971","0.0827","","","0.1842","0.1906","","","","","","1.361","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513008","13.172","0.002","17.525","0.004","16.41","0.003","90","","111.64","0.005","90","","3521.1","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 Cl3 Cr N O4 -","- C39 H41 Cl3 Cr N O4 -","- C156 H164 Cl12 Cr4 N4 O16 -","4","1","","Dmitry A. Kurmaev; Nicolai A. Kolosov; Svetlana Ch. Gagieva; Alexandra O. Borissova; Vladislav A. Tuskaev; Natalya M. Bravaya; Boris M. Bulychev","Coordination compounds of chromium (+3) and vanadium (+3) and (+5) with 2,6-bis(diphenylhydroxymethyl)pyridyl ligand: Synthesis and study of catalytic activity in the polymerization of ethylene","Inorganica Chimica Acta","2013","396","","136","143","10.1016/j.ica.2012.11.006","","","0.71073","MoKα","","0.2061","0.0542","","","0.0681","0.1089","","","","","","0.703","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513009","12.7934","0.0005","12.8886","0.0005","16.6146","0.0007","103.038","0.001","98.875","0.001","96.789","0.001","2603.45","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C135 H110 Cr2 N4 O9 -","- C65.5 H51 Cr N2 O4 -","- C131 H102 Cr2 N4 O8 -","2","1","","Dmitry A. Kurmaev; Nicolai A. Kolosov; Svetlana Ch. Gagieva; Alexandra O. Borissova; Vladislav A. Tuskaev; Natalya M. Bravaya; Boris M. Bulychev","Coordination compounds of chromium (+3) and vanadium (+3) and (+5) with 2,6-bis(diphenylhydroxymethyl)pyridyl ligand: Synthesis and study of catalytic activity in the polymerization of ethylene","Inorganica Chimica Acta","2013","396","","136","143","10.1016/j.ica.2012.11.006","","","0.71073","MoKα","","0.0875","0.055","","","0.089","0.0962","","","","","","1.091","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513010","15.05","0.002","21.834","0.003","22.09","0.003","83.905","0.003","70.256","0.003","89.896","0.003","6789","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H40 Cl2 N O4 V -","- C35 H32 Cl2 N O3 V -","- C280 H256 Cl16 N8 O24 V8 -","8","4","","Dmitry A. Kurmaev; Nicolai A. Kolosov; Svetlana Ch. Gagieva; Alexandra O. Borissova; Vladislav A. Tuskaev; Natalya M. Bravaya; Boris M. Bulychev","Coordination compounds of chromium (+3) and vanadium (+3) and (+5) with 2,6-bis(diphenylhydroxymethyl)pyridyl ligand: Synthesis and study of catalytic activity in the polymerization of ethylene","Inorganica Chimica Acta","2013","396","","136","143","10.1016/j.ica.2012.11.006","","","0.71073","MoKα","","0.2483","0.105","","","0.2066","0.2432","","","","","","0.872","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513011","10.5834","0.001","15.1756","0.001","16.0379","0.0012","90","","102.386","0.002","90","","2515.9","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H23 Cl N O3 V -","- C31 H23 Cl N O3 V -","- C124 H92 Cl4 N4 O12 V4 -","4","1","","Dmitry A. Kurmaev; Nicolai A. Kolosov; Svetlana Ch. Gagieva; Alexandra O. Borissova; Vladislav A. Tuskaev; Natalya M. Bravaya; Boris M. Bulychev","Coordination compounds of chromium (+3) and vanadium (+3) and (+5) with 2,6-bis(diphenylhydroxymethyl)pyridyl ligand: Synthesis and study of catalytic activity in the polymerization of ethylene","Inorganica Chimica Acta","2013","396","","136","143","10.1016/j.ica.2012.11.006","","","0.71073","MoKα","","0.086","0.0576","","","0.1405","0.1546","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513012","10.1621","0.0019","21.344","0.004","22.796","0.005","102.307","0.004","96.644","0.004","100.736","0.004","4683.7","1.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H46 N2 O3 P2 Ru -","- C58 H46 N2 O3 P2 Ru -","- C232 H184 N8 O12 P8 Ru4 -","4","2","","Soumik Mandal; Dipravath K. Seth; Parna Gupta","A closer look at the formation of bicyclometalated and cyclometalated ruthenium carbonyl complexes","Inorganica Chimica Acta","2013","397","","10","20","10.1016/j.ica.2012.11.011","","","0.71073","MoKα","","0.1206","0.0552","","","0.0978","0.1242","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513013","11.9613","0.0015","29.818","0.004","13.3927","0.0015","90","","114.918","0.004","90","","4332","0.9","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H40 Cl2 N2 O3 P2 Ru -","- C51 H40 Cl2 N2 O3 P2 Ru -","- C204 H160 Cl8 N8 O12 P8 Ru4 -","4","1","","Soumik Mandal; Dipravath K. Seth; Parna Gupta","A closer look at the formation of bicyclometalated and cyclometalated ruthenium carbonyl complexes","Inorganica Chimica Acta","2013","397","","10","20","10.1016/j.ica.2012.11.011","","","0.71073","MoKα","","0.0823","0.0543","","","0.1135","0.1229","","","","","","1.296","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513014","11.9458","0.0005","12.9001","0.0006","17.0701","0.0008","71.556","0.002","72.86","0.002","63.978","0.002","2204.62","0.18","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H47 N O5 P2 Ru -","- C54 H47 N O5 P2 Ru -","- C108 H94 N2 O10 P4 Ru2 -","2","1","","Soumik Mandal; Dipravath K. Seth; Parna Gupta","A closer look at the formation of bicyclometalated and cyclometalated ruthenium carbonyl complexes","Inorganica Chimica Acta","2013","397","","10","20","10.1016/j.ica.2012.11.011","","","0.71073","MoKα","","0.065","0.0488","","","0.1236","0.1309","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513015","12.667","0.0009","12.937","0.0009","13.4361","0.001","89.007","0.004","68.689","0.004","80.316","0.004","2019.7","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H42 N3 O4 P2 Ru S -","- C48 H42 N3 O4 P2 Ru S -","- C96 H84 N6 O8 P4 Ru2 S2 -","2","1","","Soumik Mandal; Dipravath K. Seth; Parna Gupta","A closer look at the formation of bicyclometalated and cyclometalated ruthenium carbonyl complexes","Inorganica Chimica Acta","2013","397","","10","20","10.1016/j.ica.2012.11.011","","","0.71073","MoKα","","0.0818","0.0664","","","0.181","0.1874","","","","","","1.289","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513016","13.0091","0.0011","13.9293","0.0012","26.838","0.002","90","","91.268","0.002","90","","4862.1","0.7","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H45 Cl4 N O3 P2 Ru S -","- C54 H45 Cl4 N O3 P2 Ru S -","- C216 H180 Cl16 N4 O12 P8 Ru4 S4 -","4","1","","Soumik Mandal; Dipravath K. Seth; Parna Gupta","A closer look at the formation of bicyclometalated and cyclometalated ruthenium carbonyl complexes","Inorganica Chimica Acta","2013","397","","10","20","10.1016/j.ica.2012.11.011","","","0.71073","MoKα","","0.0548","0.0494","","","0.1367","0.1415","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513017","13.2675","0.0019","10.2369","0.0014","24.371","0.004","90","","90","","90","","3310","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H37 Cu N7 O10 -","- C31 H37 Cu N7 O10 -","- C124 H148 Cu4 N28 O40 -","4","1","","Yuan-Yuan Gao; Ming-Fang Yang; Ning Han, Yue Ma; Ya-Li Wang; Yu-Zhang Tong; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao","Synthesis, crystal structures and magneto-structural correlations study of three 3d metal-radical heterospin complexes","Inorganica Chimica Acta","2013","397","","32","37","10.1016/j.ica.2012.11.013","","","0.71073","MoKα","","0.0501","0.0452","","","0.1243","0.1283","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513018","13.169","0.002","10.2444","0.0016","24.607","0.004","90","","90","","90","","3319.7","0.9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H37 N7 Ni O10 -","- C31 H37 N7 Ni O10 -","- C124 H148 N28 Ni4 O40 -","4","1","","Yuan-Yuan Gao; Ming-Fang Yang; Ning Han, Yue Ma; Ya-Li Wang; Yu-Zhang Tong; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao","Synthesis, crystal structures and magneto-structural correlations study of three 3d metal-radical heterospin complexes","Inorganica Chimica Acta","2013","397","","32","37","10.1016/j.ica.2012.11.013","","","0.71073","MoKα","","0.0553","0.0487","","","0.1309","0.1363","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513019","13.1567","0.0011","10.2929","0.0009","24.723","0.002","90","","90","","90","","3348","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H37 Co N7 O10 -","- C31 H37 Co N7 O10 -","- C124 H148 Co4 N28 O40 -","4","1","","Yuan-Yuan Gao; Ming-Fang Yang; Ning Han, Yue Ma; Ya-Li Wang; Yu-Zhang Tong; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao","Synthesis, crystal structures and magneto-structural correlations study of three 3d metal-radical heterospin complexes","Inorganica Chimica Acta","2013","397","","32","37","10.1016/j.ica.2012.11.013","","","0.71073","MoKα","","0.0601","0.0489","","","0.1245","0.1321","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513020","17.7647","0.0002","17.7647","0.0002","13.3815","0.0003","90","","90","","90","","4222.99","0.12","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C28 H32 Ba2 Cd N6 O18 -","- C28 H32 Ba2 Cd N6 O18 -","- C112 H128 Ba8 Cd4 N24 O72 -","4","0.5","","Yuan-Yuan Huang; Xin Zhang; Yuan-Gen Yao","Employing heterometallic trinuclear cluster as building subunit to construct a new coordination polymer with rare 3D inorganic -Cd-O-Ba- connectivity","Inorganica Chimica Acta","2013","397","","38","41","10.1016/j.ica.2012.11.015","","","0.71073","MoKα","","0.0384","0.0315","","","0.0758","0.0803","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513021","17.2256","0.0009","16.2344","0.0008","8.5208","0.0003","90","","99.01","0.004","90","","2353.42","0.19","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C7.25 H10.25 Br0.25 N3.5 O1.75 Zn0.5 -","- C7.25 H10.25 Br0.25 N3.5 O1.75 Zn0.5 -","- C58 H82 Br2 N28 O14 Zn4 -","8","1","","Bing-Jun Zhang; Cui-Juan Wang; Guang-Mei Qiu; Shuai Huang; Xian-Li Zhou; Jie Weng; Yao-Yu Wang","Polycarboxylate anions effect on the structures of a series of transition metal-based coordination polymers: Syntheses, crystal structures and bioactivities","Inorganica Chimica Acta","2013","397","","48","59","10.1016/j.ica.2012.11.018","","","0.71073","MoKα","","0.0984","0.0831","","","0.2682","0.2876","","","","","","1.09","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513022","11.2129","0.0011","13.7421","0.0014","9.452","0.001","90","","93.97","0.001","90","","1453","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N4 O4 Zn -","- C12 H14 N4 O4 Zn -","- C48 H56 N16 O16 Zn4 -","4","0.5","","Bing-Jun Zhang; Cui-Juan Wang; Guang-Mei Qiu; Shuai Huang; Xian-Li Zhou; Jie Weng; Yao-Yu Wang","Polycarboxylate anions effect on the structures of a series of transition metal-based coordination polymers: Syntheses, crystal structures and bioactivities","Inorganica Chimica Acta","2013","397","","48","59","10.1016/j.ica.2012.11.018","","","0.71073","MoKα","","0.1119","0.0668","","","0.1563","0.1844","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513023","14.1319","0.001","12.057","0.0009","14.3037","0.0009","90","","134.955","0.005","90","","1724.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 Mn0.5 N2 O3 -","- C7 H9 Mn0.5 N2 O3 -","- C56 H72 Mn4 N16 O24 -","8","1","","Bing-Jun Zhang; Cui-Juan Wang; Guang-Mei Qiu; Shuai Huang; Xian-Li Zhou; Jie Weng; Yao-Yu Wang","Polycarboxylate anions effect on the structures of a series of transition metal-based coordination polymers: Syntheses, crystal structures and bioactivities","Inorganica Chimica Acta","2013","397","","48","59","10.1016/j.ica.2012.11.018","","","0.71073","MoKα","","0.0592","0.043","","","0.0995","0.1067","","","","","","0.962","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513024","14.1825","0.0008","17.9582","0.0008","14.9933","0.0005","90","","90","","90","","3818.7","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C19 H15 Cd N2 O3.5 -","- C19 H15 Cd N2 O3.5 -","- C152 H120 Cd8 N16 O28 -","8","1","","Bing-Jun Zhang; Cui-Juan Wang; Guang-Mei Qiu; Shuai Huang; Xian-Li Zhou; Jie Weng; Yao-Yu Wang","Polycarboxylate anions effect on the structures of a series of transition metal-based coordination polymers: Syntheses, crystal structures and bioactivities","Inorganica Chimica Acta","2013","397","","48","59","10.1016/j.ica.2012.11.018","","","0.71073","MoKα","","0.0662","0.0393","","","0.1305","0.1492","","","","","","1.148","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513025","13.9081","0.0011","13.9147","0.0013","14.0033","0.0017","113.529","0.002","111.7","0.002","102.769","0.001","2081.3","0.4","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C54 H92 Co8 N12 O45 -","- C54 H92 Co8 N12 O45 -","- C54 H92 Co8 N12 O45 -","1","1","","Bing-Jun Zhang; Cui-Juan Wang; Guang-Mei Qiu; Shuai Huang; Xian-Li Zhou; Jie Weng; Yao-Yu Wang","Polycarboxylate anions effect on the structures of a series of transition metal-based coordination polymers: Syntheses, crystal structures and bioactivities","Inorganica Chimica Acta","2013","397","","48","59","10.1016/j.ica.2012.11.018","","","0.71073","MoKα","","0.1066","0.0806","","","0.1906","0.2073","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513026","9.5422","0.0004","10.475","0.0004","22.8707","0.0009","90","","95.224","0.003","90","","2276.54","0.16","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-((μ~3~-Biphenyl-2,2'-dicarboxylato)-(3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-aqua-manganese(ii))","","- C24 H24 Mn N4 O5 -","- C24 H24 Mn N4 O5 -","- C96 H96 Mn4 N16 O20 -","4","1","","Jens Hunger","Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands","Inorganica Chimica Acta","2013","397","","60","68","10.1016/j.ica.2012.11.019","","","0.71073","MoKα","","0.0337","0.0243","","","0.0585","0.0598","","","","","","0.94","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513027","8.4769","0.0003","18.5949","0.0007","22.2123","0.0009","90","","90","","90","","3501.3","0.2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-((Biphenyl-2,2'-dicarboxylato)-bis(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-copper(ii) monohydrate)","","- C34 H38 Cu N8 O5 -","- C34 H38 Cu N8 O5 -","- C136 H152 Cu4 N32 O20 -","4","1","","Jens Hunger","Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands","Inorganica Chimica Acta","2013","397","","60","68","10.1016/j.ica.2012.11.019","","","0.71073","MoKα","","0.0369","0.0315","","","0.0806","0.0822","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513028","17.8084","0.0006","18.8997","0.0006","24.4847","0.0007","90","","90","","90","","8240.9","0.4","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","catena-(Diaqua-tris(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-disilver(i)) diacetate","","- C34 H51.12 Ag2 N12 O5.56 -","- C34 H51.122 Ag2 N12 O5.561 -","- C272 H408.976 Ag16 N96 O44.488 -","8","1","","Jens Hunger","Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands","Inorganica Chimica Acta","2013","397","","60","68","10.1016/j.ica.2012.11.019","","","0.71073","MoKα","","0.0374","0.0249","","","0.0665","0.0694","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513029","11.1779","0.0009","13.3676","0.0014","16.3999","0.0018","90","","90","","90","","2450.5","0.4","213","2","213","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","catena-((μ~2~-Biphenyl-2,2'-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-zinc(ii) hemihydrate)","","- C24 H23.21 N4 O4.61 Zn -","- C24 H23.21 N4 O4.605 Zn -","- C96 H92.84 N16 O18.42 Zn4 -","4","1","","Jens Hunger","Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands","Inorganica Chimica Acta","2013","397","","60","68","10.1016/j.ica.2012.11.019","","","0.71073","MoKα","","0.033","0.0243","","","0.0419","0.0425","","","","","","0.903","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513030","12.1793","0.0006","12.1793","0.0006","26.9353","0.0013","90","","90","","120","","3460.2","0.3","213","2","213","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","catena-((μ~2~-Biphenyl-2,2'-dicarboxylato)-(μ~2~-3,3',5,5'-tetramethyl- 4,4'-bipyrazole)-cadmium(ii))","","- C24 H22 Cd N4 O4 -","- C24 H22 Cd N4 O4 -","- C144 H132 Cd6 N24 O24 -","6","1","","Jens Hunger","Synthesis and structure of coordination polymers of Mn2+, Cu2+, Ag+, Zn2+ and Cd2+ by combination of bipyrazole and diphenate ligands","Inorganica Chimica Acta","2013","397","","60","68","10.1016/j.ica.2012.11.019","","","0.71073","MoKα","","0.0254","0.0201","","","0.0425","0.0436","","","","","","0.808","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513031","9.986","0.004","9.778","0.004","16.2","0.006","90","","106.783","0.004","90","","1514.4","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Ce N4 O4 -","- C36 H24 Ce N4 O4 -","- C72 H48 Ce2 N8 O8 -","2","0.5","","Li Li; Fugen Yuan; Tingting Li; Yuan Zhou; Manman Zhang","Synthesis and crystal structures of cerium(IV) complexes with 8-quinolinolate and amine bis(phenolate) ligands","Inorganica Chimica Acta","2013","397","","69","74","10.1016/j.ica.2012.11.020","","","0.71073","MoKα","","0.0892","0.0643","","","0.1656","0.1812","","","","","","1.14","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513032","18.4201","0.0014","21.33","0.0016","21.487","0.0017","100.489","0.001","96.276","0.001","113.286","0.001","7469.8","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H122 Ce N4 O6 -","- C74 H122 Ce N4 O6 -","- C296 H488 Ce4 N16 O24 -","4","2","","Li Li; Fugen Yuan; Tingting Li; Yuan Zhou; Manman Zhang","Synthesis and crystal structures of cerium(IV) complexes with 8-quinolinolate and amine bis(phenolate) ligands","Inorganica Chimica Acta","2013","397","","69","74","10.1016/j.ica.2012.11.020","","","0.71073","MoKα","","0.1005","0.0534","","","0.1221","0.1486","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513053","6.6876","0.001","25.062","0.004","13.824","0.002","90","","98.293","0.005","90","","2292.7","0.6","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O14 -","- C21 H24 N2 O14 -","- C84 H96 N8 O56 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Organometallic silver(I) and zinc(II) catalysing coupling processes of polysubstituted benzoic acids","Chemical Engineering Journal","2013","232","","118","","10.1016/j.cej.2013.07.089","","","0.71073","MoKα","","0.1006","0.0578","","","0.1663","0.1997","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513054","7.022","0.002","8.236","0.002","8.684","0.002","63.397","0.009","85.326","0.009","85.478","0.009","447.1","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","4-(2-chloroethyl)morpholinium hydrochloride","","","- C6 H13 Cl2 N O -","- C6 H13 Cl2 N O -","- C12 H26 Cl4 N2 O2 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study","Journal of Molecular Structure","2013","1036","","226","","10.1016/j.molstruc.2012.11.018","","","0.71073","MoKα","","0.0537","0.0411","","","0.1066","0.1127","","","","","","1.269","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513055","7.078","0.002","8.035","0.002","17.775","0.006","90","","90","","90","","1010.9","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","1-(2-chloroethyl)piperidinium chloride","","","- C7 H15 Cl2 N -","- C7 H16 Cl2 N -","- C28 H64 Cl8 N4 -","4","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study","Journal of Molecular Structure","2013","1036","","226","","10.1016/j.molstruc.2012.11.018","","","0.71073","MoKα","","0.0771","0.0574","","","0.1671","0.1753","","","","","","1.791","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513056","7.1481","0.0016","8.076","0.002","18.627","0.005","90","","90","","90","","1075.3","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","1-(3-chlorpropyl)piperidinium chloride","","","- C7 H3 Cl2 N -","- C7 H3 Cl2 N -","- C28 H12 Cl8 N4 -","4","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study","Journal of Molecular Structure","2013","1036","","226","","10.1016/j.molstruc.2012.11.018","","","0.71073","MoKα","","0.1004","0.0936","","","0.3033","0.3182","","","","","","1.481","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513057","13.526","0.002","15.045","0.002","16.533","0.003","90","","90","","90","","3364.4","0.9","202","2","202","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1-(2-chloroethyl)piperidinium 5-sulfosalicylicilate","","","- C14 H20 Cl N O6 S -","- C14 H20 Cl N O6 S -","- C112 H160 Cl8 N8 O48 S8 -","8","1","","Ivanova, Bojidarka; Spiteller, Michael","Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study","Journal of Molecular Structure","2013","1036","","226","","10.1016/j.molstruc.2012.11.018","","","0.71073","MoKα","","0.0912","0.0752","","","0.1959","0.2123","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513058","8.598","0.003","13.739","0.005","14.788","0.006","90","","90","","90","","1746.9","1.1","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1-(3-chlorpropyl)piperidinium 5-sulfosalicylicilate","","","- C15 H22 Cl N O6 S -","- C15 H22 Cl N O6 S -","- C60 H88 Cl4 N4 O24 S4 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study","Journal of Molecular Structure","2013","1036","","226","","10.1016/j.molstruc.2012.11.018","","","0.71073","MoKα","","0.1008","0.0886","","","0.205","0.2139","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513059","8.644","0.002","9.085","0.003","11.673","0.004","104.782","0.008","104.882","0.009","105.085","0.008","802.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","1-(2-chloroethyl)pyrrolidinium 5-sulfosalicylicilate","","","- C13 H18 Cl N O6 S -","- C13 H18 Cl N O6 S -","- C26 H36 Cl2 N2 O12 S2 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","Factors stabilizing the gas-phase ionic species of crystals of organic salts – Experimental and theoretical study","Journal of Molecular Structure","2013","1036","","226","","10.1016/j.molstruc.2012.11.018","","","0.71073","MoKα","","0.0938","0.0851","","","0.2578","0.2666","","","","","","1.547","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513060","6.7864","0.0008","12.0208","0.0016","22.005","0.003","90","","90","","90","","1795.1","0.4","198","2","198","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H29 N5 O5 -","- C12 H29 N5 O5 -","- C48 H116 N20 O20 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Heptachloroepoxides - theoretical versus experimental study of the embedded samples in the matrixes of organic crystals","Journal of Inclusion Phenomena and Macrocyclic Chemistry","2013","76","","415","","10.1007/s10847-012-0213-x","","","0.71073","MoKα","","0.085","0.0582","","","0.154","0.1694","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513061","10.9481","0.0015","14.463","0.003","8.0063","0.0012","90","","90","","90","","1267.7","0.4","198","2","198","2","","","","","","","","4","P c a 21","P 2c -2ac","29","isophorone amino nitrimine","","","- C10 H22 N3 O3 -","- C10 H22 N3 O3 -","- C40 H88 N12 O12 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Heptachloroepoxides - theoretical versus experimental study of the embedded samples in the matrixes of organic crystals","Journal of Inclusion Phenomena and Macrocyclic Chemistry","2013","76","","415","","10.1007/s10847-012-0213-x","","","0.71073","MoKα","","0.0804","0.0617","","","0.1548","0.167","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513062","4.8102","0.0019","5.795","0.002","13.462","0.005","84.048","0.011","87.302","0.012","83.256","0.012","370.4","0.2","199","2","199","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H15 Cl2 N3 O2 -","- C14 H15 Cl2 N3 O2 -","- C14 H15 Cl2 N3 O2 -","1","1","","Ivanova, Bojidarka; Spiteller, Michael","Heptachloroepoxides - theoretical versus experimental study of the embedded samples in the matrixes of organic crystals","Journal of Inclusion Phenomena and Macrocyclic Chemistry","2013","76","","415","","10.1007/s10847-012-0213-x","","","0.71073","MoKα","","0.0555","0.0481","","","0.1125","0.1169","","","","","","1.129","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513068","25.111","0.004","9.5073","0.0015","23.702","0.004","90","","99.151","0.002","90","","5586.5","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H5 F8 N O3 -","- C13 H5 F8 N O3 -","- C208 H80 F128 N16 O48 -","16","2","","Sun, Qi; Li, Jun; Liu, Wan-Nian; Dong, Qing-Jian; Yang, Wen-Chao; Yang, Guang-Fu","Non-Peptide-based fluorogenic small-molecule probe for elastase.","Analytical chemistry","2013","85","23","11304","11311","10.1021/ac402097g","","","0.71073","MoKα","","0.0647","0.0474","","","0.1366","0.1535","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513073","4.93","0.002","34.514","0.015","8.152","0.004","90","","105","0.013","90","","1339.8","1","199","2","199","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N4 O8 -","- C30 H27 N4 O8 -","- C60 H54 N8 O16 -","2","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Optical properties of substituted piperidine containing natural quinolizidine-alkaloids – theoretical vs. experimental study","Natural Products Research","2013","","","","","10.1080/14786419.2012.676546","","","0.71073","MoKα","","0.222","0.1809","","","0.3886","0.4","","","","","","2.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513077","8.4083","0.0011","10.1331","0.0014","11.461","0.0013","90","","94.736","0.009","90","","973.2","0.2","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H26 O7 -","- C22 H26 O7 -","- C44 H52 O14 -","2","1","","Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Yang, Zhengduo; Wild, Christopher; Ye, Na; Ester, Corbin D.; Xiong, Ailian; White, Mark A.; Shen, Qiang; Zhou, Jia","Oridonin Ring A-Based Diverse Constructions of Enone Functionality: Identification of Novel Dienone Analogues Effective for Highly Aggressive Breast Cancer by Inducing Apoptosis","Journal of Medicinal Chemistry","2013","56","21","8814","","10.1021/jm401248x","","","1.5418","CuKα","","0.033","0.0329","","0.0878","0.0876","0.0878","","","","","","0.9813","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513078","8.221","0.003","9.012","0.003","15.966","0.005","80.724","0.01","88.677","0.01","68.189","0.009","1083","0.6","223","","223","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H22 F6 N Na O9 S2 -","- C12 H22 F6 N Na O9 S2 -","- C24 H44 F12 N2 Na2 O18 S4 -","2","1","","Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Phase diagrams and solvate structures of binary mixtures of glymes and na salts.","The journal of physical chemistry. B","2013","117","48","15072","15085","10.1021/jp407582m","","","0.7107","MoKα","","","0.0524","","","","0.1503","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513079","12.539","0.004","9.781","0.003","13.473","0.005","90","","91.773","0.004","90","","1651.6","1","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H22 Cl Na O9 -","- C10 H22 Cl Na O9 -","- C40 H88 Cl4 Na4 O36 -","4","2","","Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Phase diagrams and solvate structures of binary mixtures of glymes and na salts.","The journal of physical chemistry. B","2013","117","48","15072","15085","10.1021/jp407582m","","","0.71075","MoKα","","","0.0815","","","","0.2429","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513080","13.5214","0.0005","16.1932","0.0008","22.1855","0.0009","90","","90","","90","","4857.6","0.4","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H26 F6 N Na O10 S2 -","- C14 H26 F6 N Na O10 S2 -","- C112 H208 F48 N8 Na8 O80 S16 -","8","1","","Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Phase diagrams and solvate structures of binary mixtures of glymes and na salts.","The journal of physical chemistry. B","2013","117","48","15072","15085","10.1021/jp407582m","","","0.71075","MoKα","","","0.0604","","","","0.1588","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513081","12.138","0.0011","30.924","0.003","15.3413","0.0018","90","","107.119","0.004","90","","5503.3","1","223","","223","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H26 Cl Na O10 -","- C12 H26 Cl Na O10 -","- C144 H312 Cl12 Na12 O120 -","12","3","","Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Phase diagrams and solvate structures of binary mixtures of glymes and na salts.","The journal of physical chemistry. B","2013","117","48","15072","15085","10.1021/jp407582m","","","0.71075","MoKα","","","0.058","","","","0.1569","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513082","9.568","0.003","17.117","0.006","12.039","0.004","90","","96.437","0.004","90","","1959.3","1.1","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 F6 Na O6 P -","- C12 H26 F6 Na O6 P -","- C48 H104 F24 Na4 O24 P4 -","4","1","","Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi","Phase diagrams and solvate structures of binary mixtures of glymes and na salts.","The journal of physical chemistry. B","2013","117","48","15072","15085","10.1021/jp407582m","","","0.7107","MoKα","","","0.0742","","","","0.2171","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513083","8.7188","0.0014","11.3511","0.0015","14.6792","0.0018","78.45","0.011","74.701","0.011","89.477","0.012","1371.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18 F6 S8 -","- C23 H18 F6 S8 -","- C46 H36 F12 S16 -","2","1","","Castellanos, Sonia; Grubert, Lutz; Stößer, Reinhard; Hecht, Stefan","Diarylethene Photoswitches Featuring Tetrathiafulvalene-Containing Aryl Units","The Journal of Physical Chemistry C","2013","117","45","23529","","10.1021/jp407858s","","","0.71073","MoKα","","0.09","0.0694","","","0.1864","0.1922","","","","","","1.149","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513084","12.4181","0.0003","10.4442","0.0004","19.0213","0.0005","90","","90.457","0.002","90","","2466.93","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 F6 N S5 -","- C24 H17 F6 N S5 -","- C96 H68 F24 N4 S20 -","4","1","","Castellanos, Sonia; Grubert, Lutz; Stößer, Reinhard; Hecht, Stefan","Diarylethene Photoswitches Featuring Tetrathiafulvalene-Containing Aryl Units","The Journal of Physical Chemistry C","2013","117","45","23529","","10.1021/jp407858s","","","0.71073","MoKα","","0.0463","0.0296","","","0.0664","0.0688","","","","","","0.825","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513085","21.767","0.014","5.973","0.003","23.372","0.015","90","","96.26","0.03","90","","3021","3","291","2","291","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 N4 -","- C34 H40 N4 -","- C136 H160 N16 -","4","0.5","","Qi, Qingkai; Zhang, Jibo; Xu, Bin; Li, Bao; Zhang, Sean Xiao-An; Tian, Wenjing","Mechanochromism and Polymorphism-Dependent Emission of Tetrakis(4-(dimethylamino)phenyl)ethylene","The Journal of Physical Chemistry C","2013","117","47","24997","","10.1021/jp407965a","","","0.71073","MoKα","","0.092","0.0528","","","0.1465","0.1692","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513086","11.81","0.002","11.257","0.002","23.291","0.007","90","","108.84","0.03","90","","2930.5","1.3","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N4 -","- C34 H40 N4 -","- C136 H160 N16 -","4","1","","Qi, Qingkai; Zhang, Jibo; Xu, Bin; Li, Bao; Zhang, Sean Xiao-An; Tian, Wenjing","Mechanochromism and Polymorphism-Dependent Emission of Tetrakis(4-(dimethylamino)phenyl)ethylene","The Journal of Physical Chemistry C","2013","117","47","24997","","10.1021/jp407965a","","","0.71073","MoKα","","0.1853","0.086","","","0.2075","0.2553","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513087","8.4313","0.0005","8.4313","0.0005","8.4313","0.0005","90","","90","","90","","599.35","0.06","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Zinc Diiron(III) Tetraoxide","","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Teh, Pei Fen; Pramana, Stevin S.; Kim, Chunjoong; Chen, Chieh-Ming; Chuang, Cheng-Hao; Sharma, Yogesh; Cabana, Jordi; Madhavi, Srinivasan","Electrochemical Reactivity with Lithium of Spinel-type ZnFe2‒yCryO4(0 ≤y≤ 2)","The Journal of Physical Chemistry C","2013","117","46","24213","","10.1021/jp408762v","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513088","5.8139","0.0014","5.8101","0.0014","17.366","0.004","90","","101.604","0.002","90","","574.6","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 N4 S4 -","- C10 H4 N4 S4 -","- C20 H8 N8 S8 -","2","0.5","","Tao, Tao; Geng, Jiao; Hong, Liu; Huang, Wei; Tanaka, Hirofumi; Tanaka, Daisuke; Ogawa, Takuji","Temperature-Dependent Current‒Voltage and Photoresponsive Properties for Semiconducting Nanodevices Fabricated from an Oligothiazole Dithiol and Gold Nanoparticles","The Journal of Physical Chemistry C","2013","117","48","25325","","10.1021/jp409124u","","","0.71073","MoKα","","0.0294","0.0287","","","0.0735","0.074","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513089","10.4187","0.0006","19.6076","0.0012","10.9402","0.0006","90","","91.235","0.001","90","","2234.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H33 Er O10 -","- C17 H33 Er O10 -","- C68 H132 Er4 O40 -","4","1","","Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I.","Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study","The Journal of Physical Chemistry C","2013","117","45","23970","","10.1021/jp4093282","","","0.71073","MoKα","","0.0183","0.0149","","","0.0312","0.0326","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513090","12.3554","0.0005","13.8738","0.0006","23.392","0.001","90","","90.974","0.001","90","","4009.2","0.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C72 Er F60 N3 O6 P6 -","- C72 Er F60 N3 O6 P6 -","- C144 Er2 F120 N6 O12 P12 -","2","0.5","","Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I.","Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study","The Journal of Physical Chemistry C","2013","117","45","23970","","10.1021/jp4093282","","","0.71073","MoKα","","0.0275","0.0232","","","0.0562","0.0592","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513091","14.329","0.0003","14.8267","0.0004","17.7919","0.0004","89.86","0.001","76.118","0.001","62.792","0.001","3238.21","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","C72H60N6O6P6 Er","","","- C72 H60 Er N3 O6 P6 -","- C72 H60 Er N3 O6 P6 -","- C144 H120 Er2 N6 O12 P12 -","2","1","","Ye, H.-Q.; Peng, Y.; Li, Z.; Wang, C.-C.; Zheng, Y.-X.; Motevalli, M.; Wyatt, P. B.; Gillin, W. P.; Hernández, I.","Effect of Fluorination on the Radiative Properties of Er3+Organic Complexes: An Opto-Structural Correlation Study","The Journal of Physical Chemistry C","2013","117","45","23970","","10.1021/jp4093282","","","1.54178","","","0.0223","0.0222","","","0.0587","0.0587","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513092","35.507","0.005","4.9795","0.0007","12.075","0.002","90","","97.548","0.006","90","","2116.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 N O7 -","- C20 H31 N O7 -","- C80 H124 N4 O28 -","4","1","","Janni, D. Sirisha; K. Manheri, Muraleedharan","Hierarchical Preferences of Hydroxylated Oxanorbornane-Based Achiral Amphiphiles","Langmuir","2013","29","49","15182","","10.1021/la4034172","","","0.71073","MoKα","","0.0972","0.0659","","","0.1536","0.1691","","","","","","1.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513093","12.577","0.005","16.012","0.006","16.519","0.006","90","","90","","90","","3327","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Cl3 N3 O2 Sc -","- C31 H39 Cl3 N3 O2 Sc -","- C124 H156 Cl12 N12 O8 Sc4 -","4","1","","Pan, Yu; Xu, Tieqi; Fu, Song; Yang, Guan-Wen; Lu, Xiao-Bing","Remarkable Stereochemistry Control in the Polymerization of α-Olefins Using a Simple Scandium Catalyst System","Macromolecules","2013","46","22","8790","","10.1021/ma401840f","","","0.71073","MoKα","","0.1332","0.0832","","","0.2243","0.2648","","","","","","1.044","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1513094","15.6129","0.0018","13.1749","0.0015","15.98","0.003","90","","118.365","0.001","90","","2892.4","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 Cl2 O3 Sc -","- C26 H36 Cl2 O3 Sc -","- C104 H144 Cl8 O12 Sc4 -","4","0.5","","Pan, Yu; Xu, Tieqi; Fu, Song; Yang, Guan-Wen; Lu, Xiao-Bing","Remarkable Stereochemistry Control in the Polymerization of α-Olefins Using a Simple Scandium Catalyst System","Macromolecules","2013","46","22","8790","","10.1021/ma401840f","","","0.71073","MoKα","","0.0417","0.0371","","","0.1181","0.1229","","","","","","1.064","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1513095","6.6801","0.0003","11.517","0.0004","11.5244","0.0005","99.111","0.002","105.013","0.002","101.559","0.002","818.02","0.06","100","","100","","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C30 H40 S8 -","- C30 H40 S8 -","- C30 H40 S8 -","1","0.5","","Schneider, Julia A.; Dadvand, Afshin; Wen, Wen; Perepichka, Dmitrii F.","Tuning the Electronic Properties of Poly(thienothiophene vinylene)s via Alkylsulfanyl and Alkylsulfonyl Substituents","Macromolecules","2013","46","23","9231","","10.1021/ma402018n","","","1.54178","CuKα","","0.0475","0.0436","","","0.1191","0.1245","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513097","25.3872","0.0006","13.6881","0.0003","44.9208","0.0012","90","","103.268","0.002","90","","15193.4","0.6","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H86 N28 O36 -","- C42 H42 N28 O14 -","- C336 H336 N224 O112 -","8","2","","Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu","The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.","Molecular pharmaceutics","2013","10","12","4698","4705","10.1021/mp400529m","","","1.5418","CuKα","","0.0979","0.072","","","0.1947","0.2091","","","","","","1.183","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513098","35.5457","0.0006","35.5457","0.0006","29.5785","0.0008","90","","90","","90","","37372.3","1.3","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C54 H107 Cl2 N35 O40 -","- C54 H55 Cl2 N35 O37 -","- C864 H880 Cl32 N560 O592 -","16","","","Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu","The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.","Molecular pharmaceutics","2013","10","12","4698","4705","10.1021/mp400529m","","","1.54184","CuKα","","0.1433","0.1123","","","0.2241","0.2377","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513100","40.8323","0.0004","40.8323","0.0004","23.3137","0.0005","90","","90","","90","","38870.4","1","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C54 H113 Cl2 N35 O43 -","- C54 H55 Cl2 N35 O39 -","- C864 H880 Cl32 N560 O624 -","16","","","Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu","The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.","Molecular pharmaceutics","2013","10","12","4698","4705","10.1021/mp400529m","","","1.54184","CuKα","","0.1686","0.1354","","","0.2449","0.2592","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513101","9.2491","0.0007","14.3509","0.0013","15.8699","0.0013","90","","90","","90","","2106.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O8 S -","- C20 H26 O8 S -","- C80 H104 O32 S4 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Lv, Cui-Ting; Li, Chun-Shun; Xu, Gang-Ming; Huang, Cai-Guo; Wang, Bin-Gui","Sulfur-Containing Cytotoxic Curvularin Macrolides from Penicillium sumatrense MA-92, a Fungus Obtained from the Rhizosphere of the Mangrove Lumnitzera racemosa.","Journal of natural products","2013","76","11","2145","2149","10.1021/np400614f","","","0.71073","MoKα","","0.1067","0.0683","","","0.1389","0.1671","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513102","7.0316","0.0002","9.5125","0.0004","21.7347","0.0008","90","","90","","90","","1453.79","0.09","150","","150","2","","","","","","","Phyllidia coelestis Bergh","4","P 21 21 21","P 2ac 2ab","19","1-formamido-abeo-pupukeanane","","","- C16 H27 N O -","- C16 H27 N O -","- C64 H108 N4 O4 -","4","1","","Jaisamut, Sunan; Prabpai, Samran; Tancharoen, Chompoonuch; Yuenyongsawad, Supreeya; Hannongbua, Supa; Kongsaeree, Palangpon; Plubrukarn, Anuchit","Bridged Tricyclic Sesquiterpenes from the Tubercle Nudibranch Phyllidia coelestis Bergh.","Journal of natural products","2013","76","11","2158","2161","10.1021/np4007074","","x-ray","0.71073","MoKα","","0.0533","0.0457","","","0.1062","0.1111","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513103","12.08","0.002","9.919","0.002","13.7","0.003","90","","90.45","0.03","90","","1641.5","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H11 Cl N2 O5 -","- C17 H11 Cl N2 O5 -","- C68 H44 Cl4 N8 O20 -","4","2","","Li, Xiangmin; Wang, Sinan; Li, Tengfei; Li, Jian; Li, Hao; Wang, Wei","Formation of Dihydronaphthalenes via Organocatalytic Enatioselective Michael-Aldol Cascade Reactions with Arylalkanes.","Organic letters","2013","15","22","5634","5637","10.1021/ol402489e","","","1.54178","CuKα","","0.0419","0.0413","","","0.1099","0.1106","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513104","10.2357","0.0006","8.6902","0.0005","14.9501","0.0009","90","","97.803","0.002","90","","1317.5","0.13","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H22 F6 N2 O3 S -","- C29 H22 F6 N2 O3 S -","- C58 H44 F12 N4 O6 S2 -","2","1","","Elmes, Robert B. P.; Turner, Peter; Jolliffe, Katrina A.","Colorimetric and Luminescent Sensors for Chloride: Hydrogen Bonding vs Deprotonation","Organic Letters","2013","15","22","5638","","10.1021/ol402500q","","","0.71073","MoKα","","0.0686","0.0485","","","0.1096","0.1396","","","","","","1.431","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513105","26.7471","0.0005","4.739","0.0001","19.892","0.0004","90","","105.737","0.002","90","","2426.89","0.09","150","2","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 F3 N2 O3 S -","- C28 H23 F3 N2 O3 S -","- C112 H92 F12 N8 O12 S4 -","4","1","","Elmes, Robert B. P.; Turner, Peter; Jolliffe, Katrina A.","Colorimetric and Luminescent Sensors for Chloride: Hydrogen Bonding vs Deprotonation","Organic Letters","2013","15","22","5638","","10.1021/ol402500q","","","1.5418","CuKα","","0.0476","0.0405","","","0.1038","0.1096","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513106","10.5208","0.0014","32.37","0.004","7.1715","0.0008","90","","109.702","0.001","90","","2299.3","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N3 O5 S -","- C27 H23 N3 O5 S -","- C108 H92 N12 O20 S4 -","4","1","","Elmes, Robert B. P.; Turner, Peter; Jolliffe, Katrina A.","Colorimetric and Luminescent Sensors for Chloride: Hydrogen Bonding vs Deprotonation","Organic Letters","2013","15","22","5638","","10.1021/ol402500q","","","0.71073","MoKα","","0.0956","0.0523","","","0.1043","0.1431","","","","","","1.381","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513107","13.1149","0.0016","22.854","0.003","14.9779","0.0018","90","","113.998","0.002","90","","4101.2","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 Cl F6 N3 O2 -","- C43 H52 Cl F6 N3 O2 -","- C172 H208 Cl4 F24 N12 O8 -","4","1","","Elmes, Robert B. P.; Turner, Peter; Jolliffe, Katrina A.","Colorimetric and Luminescent Sensors for Chloride: Hydrogen Bonding vs Deprotonation","Organic Letters","2013","15","22","5638","","10.1021/ol402500q","","","0.71073","MoKα","","0.1656","0.069","","","0.1336","0.1865","","","","","","1.294","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513108","8.677","0.003","21.099","0.01","22.462","0.01","64.761","0.007","82.738","0.011","79.399","0.009","3651","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H54 Cl N3 O2 -","- C41 H54 Cl N3 O2 -","- C164 H216 Cl4 N12 O8 -","4","2","","Elmes, Robert B. P.; Turner, Peter; Jolliffe, Katrina A.","Colorimetric and Luminescent Sensors for Chloride: Hydrogen Bonding vs Deprotonation","Organic Letters","2013","15","22","5638","","10.1021/ol402500q","","","0.71073","MoKα","","0.0828","0.0567","","","0.1338","0.1517","","","","","","1.555","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513109","18.492","0.0006","22.225","0.0007","26.253","0.001","103.873","0.0018","95.074","0.0018","107.152","0.0019","9860.6","0.6","150","2","150","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C28 H40 F16 N8 Sb3 -","- C28 H41 F15.9354 N8 Sb3 -","- C280 H410 F159.354 N80 Sb30 -","10","5","","Betterley, Nolan M.; Surawatanawong, Panida; Prabpai, Samran; Kongsaeree, Palangpon; Kuhakarn, Chutima; Pohmakotr, Manat; Reutrakul, Vichai","Electrophilic Difluoro(phenylthio)methylation: Generation, Stability, and Reactivity of α-Fluorocarbocations.","Organic letters","2013","15","22","5666","5669","10.1021/ol402631t","","x-ray","0.71073","MoKα","","0.1213","0.0801","","","0.1946","0.2136","","","","","","0.971","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513110","8.057","0.003","9.258","0.003","17.387","0.005","80.687","0.01","79.096","0.011","87.104","0.013","1256.5","0.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H31 N4 O7 -","- C26 H31 N4 O7 -","- C52 H62 N8 O14 -","2","1","","Zhang, Hongbo; Ning, Xin; Hang, Hang; Ru, Xuyan; Li, Haichen; Li, Yonghong; Wang, Lizhong; Zhang, Xiao; Yu, Shujing; Qiao, Yuanyuan; Wang, Xin; Wang, Peng George","Total Synthesis of Thaxtomin A and Its Stereoisomers and Findings of Their Biological Activities","Organic Letters","2013","15","22","5670","","10.1021/ol4026556","","","0.71073","MoKα","","0.0642","0.0436","","","0.1183","0.1313","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513111","14.897","0.003","6.8317","0.0014","20.38","0.004","90","","102.13","0.03","90","","2027.8","0.7","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C22 H22 N4 O6 -","- C22 H22 N4 O6 -","- C88 H88 N16 O24 -","4","1","","Zhang, Hongbo; Ning, Xin; Hang, Hang; Ru, Xuyan; Li, Haichen; Li, Yonghong; Wang, Lizhong; Zhang, Xiao; Yu, Shujing; Qiao, Yuanyuan; Wang, Xin; Wang, Peng George","Total Synthesis of Thaxtomin A and Its Stereoisomers and Findings of Their Biological Activities","Organic Letters","2013","15","22","5670","","10.1021/ol4026556","","","0.71073","MoKα","","0.0679","0.0483","","","0.1041","0.1168","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513112","9.5078","0.0002","10.0045","0.0003","22.4594","0.0006","90","","90","","90","","2136.36","0.1","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Cl O6 -","- C22 H31 Cl O6 -","- C88 H124 Cl4 O24 -","4","1","","Igarashi, Yasuhiro; Zhou, Tao; Sato, Seizo; Matsumoto, Takashi; Yu, Linkai; Oku, Naoya","Akaeolide, a carbocyclic polyketide from marine-derived streptomyces.","Organic letters","2013","15","22","5678","5681","10.1021/ol402661r","","","1.54187","CuKα","","","0.0364","","","","0.0918","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513113","6.1571","0.0012","7.7921","0.0016","31.207","0.006","90","","90","","90","","1497.2","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Wang, Zhenjun; Ren, Jun; Wang, Zhongwen","Lewis acids promoted formal intramolecular [3 + 2] parallel and cross-cycloadditions of cyclopropane 1,1-diesters with allenes.","Organic letters","2013","15","22","5682","5685","10.1021/ol402662j","","","0.71073","MoKα","","0.0883","0.0734","","","0.2","0.2123","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513114","22.456","0.003","7.854","0.001","17.884","0.002","90","","111.823","0.009","90","","2928.2","0.7","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C136 H144 O32 -","8","2","","Wang, Zhenjun; Ren, Jun; Wang, Zhongwen","Lewis acids promoted formal intramolecular [3 + 2] parallel and cross-cycloadditions of cyclopropane 1,1-diesters with allenes.","Organic letters","2013","15","22","5682","5685","10.1021/ol402662j","","","0.71075","MoKα","","0.0582","0.0433","","","0.1045","0.1123","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513115","12.112","0.005","8.925","0.004","15.461","0.007","90","","109.235","0.004","90","","1578","1.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Br O4 -","- C17 H17 Br O4 -","- C68 H68 Br4 O16 -","4","1","","Wang, Zhenjun; Ren, Jun; Wang, Zhongwen","Lewis acids promoted formal intramolecular [3 + 2] parallel and cross-cycloadditions of cyclopropane 1,1-diesters with allenes.","Organic letters","2013","15","22","5682","5685","10.1021/ol402662j","","","0.71073","MoKα","","0.0298","0.024","","","0.0634","0.065","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513116","7.798","0.002","9.143","0.003","21.383","0.006","88.942","0.007","81.965","0.008","85.381","0.01","1504.6","0.8","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 Cl O4 -","- C17 H17 Cl O4 -","- C68 H68 Cl4 O16 -","4","2","","Wang, Zhenjun; Ren, Jun; Wang, Zhongwen","Lewis acids promoted formal intramolecular [3 + 2] parallel and cross-cycloadditions of cyclopropane 1,1-diesters with allenes.","Organic letters","2013","15","22","5682","5685","10.1021/ol402662j","","","0.71073","MoKα","","0.0458","0.0323","","","0.0785","0.0815","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513117","12.112","0.005","8.925","0.004","15.461","0.007","90","","109.235","0.004","90","","1578","1.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Br O4 -","- C17 H17 Br O4 -","- C68 H68 Br4 O16 -","4","1","","Wang, Zhenjun; Ren, Jun; Wang, Zhongwen","Lewis acids promoted formal intramolecular [3 + 2] parallel and cross-cycloadditions of cyclopropane 1,1-diesters with allenes.","Organic letters","2013","15","22","5682","5685","10.1021/ol402662j","","","0.71073","MoKα","","0.0298","0.024","","","0.063","0.0646","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513119","10.1525","0.0016","11.2182","0.0019","18.201","0.004","90","","90.051","0.009","90","","2073","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2,4-difluorophenyl)-1-methyl-2-phenyl-3-p-tolyl-1H-pyrrolo[2,3-b]pyridine","","- C27 H20 F2 N2 -","- C27 H20 F2 N2 -","- C108 H80 F8 N8 -","4","1","","Kannaboina, Prakash; Anilkumar, K.; Aravinda, S.; Vishwakarma, Ram A.; Das, Parthasarathi","Direct C-2 Arylation of 7-Azaindoles: Chemoselective Access to Multiarylated Derivatives","Organic Letters","2013","15","22","5718","","10.1021/ol4027478","","","0.71073","MoKα","","0.1069","0.0651","","","0.1605","0.2033","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513120","6.3073","0.0005","11.2135","0.0008","32.412","0.002","90","","90","","90","","2292.4","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27.58 Br O8.29 -","- C23 H27.584 Br O8.292 -","- C92 H110.336 Br4 O33.168 -","4","1","","Riley, Andrew P.; Day, Victor W.; Navarro, Hern A.; Prisinzano, Thomas E.","Palladium-Catalyzed Transformations of Salvinorin A, a Neoclerodane Diterpene fromSalvia divinorum","Organic Letters","2013","15","23","5936","","10.1021/ol4027528","","","1.54178","CuKα","","0.0305","0.0297","","","0.082","0.0828","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513121","6.2995","0.0003","20.109","0.0011","21.2319","0.0012","90","","90","","90","","2689.6","0.2","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O2 -","- C34 H37 N O2 -","- C136 H148 N4 O8 -","4","1","","Kuwahara, Shunsuke; Nakamura, Masaya; Yamaguchi, Akira; Ikeda, Mari; Habata, Yoichi","Combination of a New Chiroptical Probe and Theoretical Calculations for Chirality Detection of Primary Amines","Organic Letters","2013","15","22","5738","","10.1021/ol402767a","","","0.71073","MoKα","","0.0489","0.0442","","","0.1016","0.1043","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513122","5.8922","0.0002","22.0263","0.0009","11.1024","0.0004","90","","96.629","0.001","90","","1431.27","0.09","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H39 N O2 -","- C36 H39 N O2 -","- C72 H78 N2 O4 -","2","1","","Kuwahara, Shunsuke; Nakamura, Masaya; Yamaguchi, Akira; Ikeda, Mari; Habata, Yoichi","Combination of a New Chiroptical Probe and Theoretical Calculations for Chirality Detection of Primary Amines","Organic Letters","2013","15","22","5738","","10.1021/ol402767a","","","0.71073","MoKα","","0.0457","0.0386","","","0.0934","0.0981","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513123","8.5443","0.0007","25.924","0.002","11.1528","0.0009","90","","96.665","0.001","90","","2453.7","0.3","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H33 N O2 -","- C32 H33 N O2 -","- C128 H132 N4 O8 -","4","2","","Kuwahara, Shunsuke; Nakamura, Masaya; Yamaguchi, Akira; Ikeda, Mari; Habata, Yoichi","Combination of a New Chiroptical Probe and Theoretical Calculations for Chirality Detection of Primary Amines","Organic Letters","2013","15","22","5738","","10.1021/ol402767a","","","0.71073","MoKα","","0.0773","0.0519","","","0.0993","0.1118","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513124","37.404","0.003","6.7314","0.0005","10.8232","0.0009","90","","90.249","0.003","90","","2725.1","0.4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H33 Cl N2 O3 S -","- C30 H33 Cl N2 O3 S -","- C120 H132 Cl4 N8 O12 S4 -","4","1","","Xu, Qing-Long; Zhuo, Chun-Xiang; Dai, Li-Xin; You, Shu-Li","Highly Enantioselective Synthesis of TetrahydrocarbolinesviaIridium-Catalyzed Intramolecular Friedel‒Crafts Type Allylic Alkylation Reactions","Organic Letters","2013","15","23","5909","","10.1021/ol4027717","","","0.71073","MoKα","","0.0599","0.0524","","","0.1194","0.1245","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513125","9.9583","0.0008","11.9802","0.0009","22.9491","0.0017","90","","90","","90","","2737.9","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cinchonine salt","Cinchonine, M.Rubin sample #4","","- C31 H35 Br N2 O3 -","- C31 H35 Br N2 O3 -","- C124 H140 Br4 N8 O12 -","4","1","","Ryabchuk, Pavel; Edwards, Andrew; Gerasimchuk, Nikolay; Rubina, Marina; Rubin, Michael","Dual Control of the Selectivity in the Formal Nucleophilic Substitution of Bromocyclopropanes en Route to Densely Functionalized, Chirally Rich Cyclopropyl Derivatives","Organic Letters","2013","15","23","6010","","10.1021/ol4027792","","","0.71073","MoKα","","0.0491","0.0356","","","0.0701","0.075","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513126","9.6721","0.0004","19.6189","0.0011","21.5843","0.0011","90","","90","","90","","4095.7","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Pasha","Chiral-(R)-substituted cyclopropane","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C184 H232 N8 O16 -","8","2","","Ryabchuk, Pavel; Edwards, Andrew; Gerasimchuk, Nikolay; Rubina, Marina; Rubin, Michael","Dual Control of the Selectivity in the Formal Nucleophilic Substitution of Bromocyclopropanes en Route to Densely Functionalized, Chirally Rich Cyclopropyl Derivatives","Organic Letters","2013","15","23","6010","","10.1021/ol4027792","","","1.2399","synchrotron","","0.0771","0.0723","","","0.1828","0.1874","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513127","5.3111","0.0007","11.4886","0.0016","11.49","0.0017","104.545","0.004","103.338","0.002","93.62","0.003","654.83","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Cui, Chun-Xiao; Li, Hui; Yang, Xian-Jin; Yang, Jun; Li, Xiao-Qiang","One-Pot Synthesis of Functionalized 2,5-Dihydrofurans via an Amine-Promoted Petasis Borono‒Mannich Reaction","Organic Letters","2013","15","23","5944","","10.1021/ol402782f","","","0.71073","MoKα","","0.0575","0.0481","","","0.1289","0.1376","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513128","17.494","0.0015","10.8153","0.0008","27.104","0.002","90","","90","","90","","5128.2","0.7","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H25 Br O6 S2 -","- C28 H25 Br O6 S2 -","- C224 H200 Br8 O48 S16 -","8","1","","Zheng, Jie; Huang, You; Li, Zhengming","Phosphine-Catalyzed Domino Reaction: An Efficient Method for the Synthesis of Bicyclo[3.2.0]heptenes Skeleton.","Organic letters","2013","15","22","5758","5761","10.1021/ol402799w","","","0.71075","MoKα","","0.0336","0.0301","","","0.0725","0.0743","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513129","14.1243","0.0004","6.7924","0.0002","7.1322","0.0002","90","","90","","90","","684.25","0.03","100","2","100","2","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","","","- C17 H20 N2 -","- C17 H20 N2 -","- C34 H40 N4 -","2","0.25","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.064","0.036","","","0.1","0.115","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513130","16.7078","0.0013","7.0015","0.0005","20.3649","0.0016","90","","90","","90","","2382.3","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","2","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.043","0.037","","","0.096","0.103","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513131","34.026","0.005","18.078","0.002","6.8131","0.0007","90","","90","","90","","4190.9","0.9","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H32 B2 O4 -","- C19 H32 B2 O4 -","- C152 H256 B16 O32 -","8","0.5","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.057","0.052","","","0.139","0.146","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513132","15.9505","0.0004","14.6663","0.0004","5.851","0.0001","90","","90","","90","","1368.75","0.06","100","2","100","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C19 H18 -","- C19 H18 -","- C76 H72 -","4","1","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.028","0.028","","","0.075","0.075","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513133","7.5615","0.0001","21.1348","0.0004","16.2978","0.0003","90","","90","","90","","2604.56","0.08","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C15 H14 S2 -","- C15 H14 S2 -","- C120 H112 S16 -","8","2","","Chen, Lei; Mahmoud, Sufian M.; Yin, Xiaodong; Lalancette, Roger A.; Pietrangelo, Agostino","Decreasing Aromaticity in π-Conjugated Materials: Efficient Synthesis and Electronic Structure Identification of Cyclopentadiene-Containing Systems","Organic Letters","2013","15","23","5970","","10.1021/ol402824m","","","1.54178","CuKα","","0.024","0.023","","","0.058","0.059","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513134","11.8463","0.001","13.189","0.0011","17.3532","0.0014","90","","91.8","0.002","90","","2709.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(6-amino-1-(3-chlorophenyl)-5-cyano-3-phenylpyridin-2(1H)-ylidene)-4-methylbenzenesulfonamide","","- C29 H27 Cl N4 O3 S -","- C29 H27 Cl N4 O3 S -","- C116 H108 Cl4 N16 O12 S4 -","4","1","","Zhou, Fenguo; Liu, Xu; Zhang, Ning; Liang, Yongjiu; Zhang, Rui; Xin, Xiaoqing; Dong, Dewen","Copper-Catalyzed Three-Component Reaction: Solvent-Controlled Regioselective Synthesis of 4-Amino- and 6-Amino-2-iminopyridines.","Organic letters","2013","15","22","5786","5789","10.1021/ol4028368","","","0.71073","MoKα","","0.1255","0.0935","","","0.2491","0.2733","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513135","16.2081","0.0005","13.8771","0.0004","25.5319","0.0008","90","","97.52","0.002","90","","5693.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 N4 O2 Ti -","- C32 H34 N4 O2 Ti -","- C256 H272 N32 O16 Ti8 -","8","1","","Chong, Eugene; Schafer, Laurel L.","2-Pyridonate Titanium Complexes for Chemoselectivity. Accessing Intramolecular Hydroaminoalkylation over Hydroamination","Organic Letters","2013","15","23","6002","","10.1021/ol402890m","","x-ray","0.71073","MoKα","","0.0592","0.0368","","","0.0796","0.0879","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513136","9.737","0.002","23.103","0.006","7.481","0.002","90","","110.674","0.009","90","","1574.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Chong, Eugene; Schafer, Laurel L.","2-Pyridonate Titanium Complexes for Chemoselectivity. Accessing Intramolecular Hydroaminoalkylation over Hydroamination","Organic Letters","2013","15","23","6002","","10.1021/ol402890m","","x-ray","0.71073","MoKα","","0.0378","0.0347","","","0.0872","0.0893","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513137","10.6913","0.0009","11.55","0.001","12.416","0.001","73.755","0.002","72.091","0.002","66.422","0.002","1315.33","0.19","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H39 N O2 S -","- C31 H39 N O2 S -","- C62 H78 N2 O4 S2 -","2","1","","Chong, Eugene; Schafer, Laurel L.","2-Pyridonate Titanium Complexes for Chemoselectivity. Accessing Intramolecular Hydroaminoalkylation over Hydroamination","Organic Letters","2013","15","23","6002","","10.1021/ol402890m","","x-ray","0.71073","MoKα","","0.0425","0.0384","","","0.104","0.1077","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513138","10.852","0.002","11.501","0.002","12.86","0.002","90","","94.93","0.004","90","","1599.1","0.5","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O2 S -","- C17 H25 N O2 S -","- C68 H100 N4 O8 S4 -","4","1","","Chong, Eugene; Schafer, Laurel L.","2-Pyridonate Titanium Complexes for Chemoselectivity. Accessing Intramolecular Hydroaminoalkylation over Hydroamination","Organic Letters","2013","15","23","6002","","10.1021/ol402890m","","x-ray","0.71073","MoKα","","0.0823","0.0594","","","0.1505","0.1648","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513139","12.4043","0.0004","11.4302","0.0004","17.7674","0.0006","90","","92.4761","0.0004","90","","2516.77","0.15","88","2","88","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H34 I N O3 Si -","- C24 H34 I N O3 Si -","- C96 H136 I4 N4 O12 Si4 -","4","2","","Schwarzwalder, Gregg M.; Steinhardt, Sarah E.; Pham, Hung V.; Houk, K. N.; Vanderwal, Christopher D.","Synthesis of the Tetracyclic Core of Exiguaquinol","Organic Letters","2013","15","23","6014","","10.1021/ol402905n","","","0.71073","MoKα","","0.0231","0.0219","","","0.0545","0.0551","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513140","6.486","0.003","7.921","0.003","27.059","0.011","90","","90.113","0.005","90","","1390.2","1","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","","Schwarzwalder, Gregg M.; Steinhardt, Sarah E.; Pham, Hung V.; Houk, K. N.; Vanderwal, Christopher D.","Synthesis of the Tetracyclic Core of Exiguaquinol","Organic Letters","2013","15","23","6014","","10.1021/ol402905n","","","0.71073","MoKα","","0.0787","0.0524","","","0.1104","0.1214","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513141","8.6643","0.0006","16.9926","0.0012","19.039","0.0014","90","","90","","90","","2803.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C128 H184 N8 O24 -","8","2","","Zeng, Chen; Zheng, Changwu; Zhao, Jingyun; Zhao, Gang","Divergent Total Syntheses of (−)-Lycopladine D, (+)-Fawcettidine, and (+)-Lycoposerramine Q","Organic Letters","2013","15","22","5846","","10.1021/ol402906y","","","0.71073","MoKα","","0.054","0.0419","","","0.0954","0.1012","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513142","5.775","0.0012","8.1191","0.0011","10.0943","0.0019","90","","93.44","0.02","90","","472.45","0.15","160","2","160","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H16 O5 -","- C8 H16 O5 -","- C16 H32 O10 -","2","1","","Schmalisch, Sebastian; Mahrwald, Rainer","Organocatalyzed direct glycosylation of unprotected and unactivated carbohydrates.","Organic letters","2013","15","22","5854","5857","10.1021/ol402914v","","","0.71073","MoKα","","0.0315","0.0301","","","0.0752","0.0758","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513143","13.699","0.0008","6.316","0.0003","15.3815","0.0007","90","","108.356","0.005","90","","1263.14","0.12","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Ngatimin, Marsewi; Frey, Raphael; Levens, Alison; Nakano, Yuji; Kowalczyk, Marcin; Konstas, Kristina; Hutt, Oliver E.; Lupton, David W.","Iodobenzene-Catalyzed Oxabicyclo[3.2.1]octane and [4.2.1]Nonane Synthesis via Cascade C‒O/C‒C Formation","Organic Letters","2013","15","22","5858","","10.1021/ol4029308","","","0.71073","MoKα","","0.0496","0.0386","","","0.0836","0.0889","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513144","14.2105","0.0009","12.8932","0.0008","7.697","0.0005","90","","102.363","0.007","90","","1377.53","0.16","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Ngatimin, Marsewi; Frey, Raphael; Levens, Alison; Nakano, Yuji; Kowalczyk, Marcin; Konstas, Kristina; Hutt, Oliver E.; Lupton, David W.","Iodobenzene-Catalyzed Oxabicyclo[3.2.1]octane and [4.2.1]Nonane Synthesis via Cascade C‒O/C‒C Formation","Organic Letters","2013","15","22","5858","","10.1021/ol4029308","","","0.71073","MoKα","","0.0555","0.0429","","","0.1032","0.1125","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513145","7.9684","0.0017","11.671","0.002","18.419","0.004","90","","90","","90","","1713","0.6","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O -","- C24 H18 O -","- C96 H72 O4 -","4","1","","Yin, Hui-Ying; Liu, Meng-Yuan; Shao, Li-Xiong","Two-Component, Three-Molecule Reactions between 2,3-Dihydroinden-1-ones and Aryl Chlorides Catalyzed by anN-Heterocyclic Carbene‒Palladium(II)‒1-Methylimidazole Complex","Organic Letters","2013","15","23","6042","","10.1021/ol4029447","","","0.71073","MoKα","","0.1004","0.0871","","","0.2374","0.2471","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513146","11.173","0.014","8.197","0.013","14.575","0.016","90","","112.89","0.008","90","","1230","3","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O2 S -","- C13 H11 N O2 S -","- C52 H44 N4 O8 S4 -","4","1","","Singh, Neetu; Singh, Rahul; Raghuvanshi, Dushyant S.; Singh, Krishna Nand","Convenient MW-Assisted Synthesis of Unsymmetrical Sulfides Using Sulfonyl Hydrazides as Aryl Thiol Surrogate","Organic Letters","2013","15","22","5874","","10.1021/ol402948k","","","0.71073","MoKα","","0.1009","0.0848","","","0.2173","0.2402","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513147","7.3509","0.0002","13.236","0.0004","17.3774","0.0005","90","","96.212","0.001","90","","1680.83","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 S -","- C18 H15 N3 S -","- C72 H60 N12 S4 -","4","1","","Das, Paramita; Ray, Suman; Mukhopadhyay, Chhanda","Exploitation of Dual Character of CN Moiety in the Synthesis of Uniquely Decorated 3H-Pyrroles: A Rare Observation.","Organic letters","2013","15","22","5622","5625","10.1021/ol402950a","","","0.71073","MoKα","","0.1286","0.0566","","","0.1788","0.2477","","","","","","0.806","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513148","10.3005","0.0011","13.8761","0.0015","14.074","0.003","109.27","0.005","103.328","0.005","106.93","0.004","1693.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl N3 S -","- C18 H14 Cl N3 S -","- C72 H56 Cl4 N12 S4 -","4","2","","Das, Paramita; Ray, Suman; Mukhopadhyay, Chhanda","Exploitation of Dual Character of CN Moiety in the Synthesis of Uniquely Decorated 3H-Pyrroles: A Rare Observation.","Organic letters","2013","15","22","5622","5625","10.1021/ol402950a","","","0.71073","MoKα","","0.0676","0.0448","","","0.1347","0.1594","","","","","","0.898","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513149","10.441","0.002","12.297","0.003","14.244","0.003","90","","92.363","0.003","90","","1827.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl2 N3 S -","- C18 H13 Cl2 N3 S -","- C72 H52 Cl8 N12 S4 -","4","1","","Das, Paramita; Ray, Suman; Mukhopadhyay, Chhanda","Exploitation of Dual Character of CN Moiety in the Synthesis of Uniquely Decorated 3H-Pyrroles: A Rare Observation.","Organic letters","2013","15","22","5622","5625","10.1021/ol402950a","","","0.71073","MoKα","","0.105","0.0658","","","0.18","0.2093","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513150","8.837","0.0019","15.942","0.004","14.955","0.003","90","","107.099","0.003","90","","2013.7","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N3 S -","- C24 H19 N3 S -","- C96 H76 N12 S4 -","4","1","","Das, Paramita; Ray, Suman; Mukhopadhyay, Chhanda","Exploitation of Dual Character of CN Moiety in the Synthesis of Uniquely Decorated 3H-Pyrroles: A Rare Observation.","Organic letters","2013","15","22","5622","5625","10.1021/ol402950a","","","0.71073","MoKα","","0.0736","0.0463","","","0.1248","0.1474","","","","","","0.894","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513151","7.4883","0.0002","9.0691","0.0003","11.6776","0.0004","90.666","0.001","103.398","0.001","100.053","0.001","758.5","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 Cl N2 S -","- C18 H11 Cl N2 S -","- C36 H22 Cl2 N4 S2 -","2","1","","Das, Paramita; Ray, Suman; Mukhopadhyay, Chhanda","Exploitation of Dual Character of CN Moiety in the Synthesis of Uniquely Decorated 3H-Pyrroles: A Rare Observation.","Organic letters","2013","15","22","5622","5625","10.1021/ol402950a","","","0.71073","MoKα","","0.0489","0.0448","","","0.1656","0.1723","","","","","","1.446","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513152","12.0469","0.0007","12.5034","0.001","15.3775","0.0008","90","","90","","90","","2316.3","0.3","99.1","","99.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 O7 -","- C26 H30 O7 -","- C104 H120 O28 -","4","1","","Yuan, Yafei; Feng, Yu; Ren, Fengxia; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng","A Botryane Metabolite with a New Hexacyclic Skeleton from an Entomogenous FungusHypocreasp.","Organic Letters","2013","15","23","6050","","10.1021/ol402953k","","","1.5418","CuKα","","0.0337","0.0325","","","0.0852","0.0864","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513153","9.255","0.0008","8.8201","0.0007","10.2868","0.0008","90","","107.491","0.008","90","","800.89","0.12","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C34 H42 N2 O8 S2 -","2","1","","Liu, Yong; Kang, Tai-Ran; Liu, Quan-Zhong; Chen, Lian-Mei; Wang, Ya-Chuan; Liu, Jie; Xie, Yong-Mei; Yang, Jin-Liang; He, Long","Enantioselective [4 + 2] Cycloaddition of CyclicN-Sulfimines and Acyclic Enones or Ynones: A Concise Route to Sulfamidate-Fused 2,6-Disubstituted Piperidin-4-ones","Organic Letters","2013","15","23","6090","","10.1021/ol402977w","","","0.71073","MoKα","","0.0434","0.0386","","","0.0925","0.0975","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513154","8.684","0.003","9.003","0.003","10.901","0.004","88.522","0.006","81.148","0.007","76.868","0.005","820.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 Br O2 -","- C19 H17 Br O2 -","- C38 H34 Br2 O4 -","2","1","","Li, Xiao-Hui; Zheng, Bao-Hui; Ding, Chang-Hua; Hou, Xue-Long","Enantioselective Synthesis of 2,3-Disubstituted Indanones via Pd-Catalyzed Intramolecular Asymmetric Allylic Alkylation of Ketones","Organic Letters","2013","15","23","6086","","10.1021/ol402980v","","","0.71073","MoKα","","0.0712","0.0506","","","0.1222","0.1286","","","","","","0.907","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513155","7.8071","0.0018","17.361","0.005","6.722","0.002","90","","93.918","0.004","90","","909","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O5 -","- C8 H11 N O5 -","- C32 H44 N4 O20 -","4","1","","Schmidt, Christian D.; Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Donor-Substituted Nitrocyclopropanes: Immediate Ring-Enlargement to Cyclic Nitronates","Organic Letters","2013","15","23","6098","","10.1021/ol402990j","","","0.71073","MoKα","","0.0497","0.0433","","","0.1077","0.1109","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513156","12.4044","0.0005","10.3305","0.0004","9.007","0.0004","90","","102.544","0.002","90","","1126.64","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C40 H56 N8 O20 -","4","1","","Schmidt, Christian D.; Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Donor-Substituted Nitrocyclopropanes: Immediate Ring-Enlargement to Cyclic Nitronates","Organic Letters","2013","15","23","6098","","10.1021/ol402990j","","","0.71073","MoKα","","0.0416","0.0358","","","0.0811","0.0841","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513157","10.6801","0.0004","8.9717","0.0003","26.3836","0.001","90","","90","","90","","2528.04","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C104 H120 N8 O40 -","8","1","","Schmidt, Christian D.; Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Donor-Substituted Nitrocyclopropanes: Immediate Ring-Enlargement to Cyclic Nitronates","Organic Letters","2013","15","23","6098","","10.1021/ol402990j","","","0.56086","AgKα","","0.0407","0.0348","","","0.0865","0.0893","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513158","14.9906","0.0009","7.8091","0.0004","14.0672","0.0008","90","","92.142","0.005","90","","1645.6","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O4 S -","- C18 H17 N O4 S -","- C72 H68 N4 O16 S4 -","4","1","","Sun, Lang; Zhu, Yuanxun; Lu, Ping; Wang, Yanguang","Cu-Catalyzed 1,2-Dihydroisoquinolines Synthesis fromo-Ethynyl Benzacetals and Sulfonyl Azides","Organic Letters","2013","15","22","5894","","10.1021/ol402996x","","","0.71073","MoKα","","0.0609","0.042","","","0.0997","0.1123","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513159","11.6058","0.001","7.0455","0.0005","21.6906","0.0016","90","","95.904","0.007","90","","1764.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Cl2 N O4 S -","- C17 H15 Cl2 N O4 S -","- C68 H60 Cl8 N4 O16 S4 -","4","1","","Sun, Lang; Zhu, Yuanxun; Lu, Ping; Wang, Yanguang","Cu-Catalyzed 1,2-Dihydroisoquinolines Synthesis fromo-Ethynyl Benzacetals and Sulfonyl Azides","Organic Letters","2013","15","22","5894","","10.1021/ol402996x","","","0.71073","MoKα","","0.0578","0.0392","","","0.0889","0.1005","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513160","9.9318","0.0007","12.1574","0.0009","15.0926","0.001","90","","104.533","0.007","90","","1764","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N4 O13 S2 -","- C34 H34 N4 O13 S2 -","- C68 H68 N8 O26 S4 -","2","0.5","","Sun, Lang; Zhu, Yuanxun; Lu, Ping; Wang, Yanguang","Cu-Catalyzed 1,2-Dihydroisoquinolines Synthesis fromo-Ethynyl Benzacetals and Sulfonyl Azides","Organic Letters","2013","15","22","5894","","10.1021/ol402996x","","","0.71073","MoKα","","0.0896","0.0668","","","0.1832","0.2054","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513161","11.62","0.008","8.989","0.008","15.81","0.008","90","","96.74","0.01","90","","1640","2","292","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H25 N3 O2 -","- C17 H25 N3 O2 -","- C68 H100 N12 O8 -","4","1","","Mercalli, Valentina; Meneghetti, Fiorella; Tron, Gian Cesare","Isocyanide-Mediated Multicomponent Synthesis of C-Oximinoamidines","Organic Letters","2013","15","22","5902","","10.1021/ol403062m","","","0.71073","MoKα","","0.1171","0.078","","","0.1916","0.2178","","","","","","0.988","","","","has coordinates,has disorder","201210","2020-10-21","18:00:00",""
"1513162","15.3408","0.0008","44.262","0.002","5.177","0.0003","90","","90","","90","","3515.3","0.3","103","2","103","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C9 H18 O2 -","- C9 H18 O2 -","- C144 H288 O32 -","16","1","","Tong, Benny Meng Kiat; Chen, Hui; Chong, Sin Yee; Heng, Yi Li; Chiba, Shunsuke","Formal [4 + 1]- and [5 + 1]-Annulation by an SN2‒Conjugate Addition Sequence: Stereoselective Synthesis of Highly Substituted Carbocyles","Organic Letters","2013","15","23","6111","","10.1021/ol4032842","","","0.71073","MoKα","","0.0373","0.0347","","","0.0889","0.0911","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513170","16.512","0.006","5.3679","0.0013","10.385","0.004","90","","94.041","0.011","90","","918.2","0.5","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","N-(1H-Benzoimidazol-2-yl)-guanidine dihydrate","","","- C8 H10 N5 O -","- C8 H9 N5 O -","- C32 H36 N20 O4 -","4","2","","Ivanova, Bojidarka; Spiteller, Michael","A novel UV-MALDI-MS analytical approach for determination of halogenated phenyl-containing pesticides","Ecotoxicology and Environmental Safety","2013","91","","86","95","10.1016/j.ecoenv.2013.01.010","","","0.71073","MoKα","","0.085","0.0722","","","0.1728","0.1959","","","","","","1.507","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513171","10.5942","0.001","9.8494","0.0013","19.646","0.002","90","","90","","90","","2050","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H2 N2 O -","- C11 H9 N3 O -","- C88 H72 N24 O8 -","8","1","","Ivanova, Bojidarka; Spiteller, Michael","A novel UV-MALDI-MS analytical approach for determination of halogenated phenyl-containing pesticides","Ecotoxicology and Environmental Safety","2013","91","","86","95","10.1016/j.ecoenv.2013.01.010","","","0.71073","MoKα","","0.1585","0.1396","","","0.2466","0.251","","","","","","2.575","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513175","8.4849","0.0004","10.2733","0.0004","11.8111","0.0005","89.973","0.003","90.088","0.004","111.135","0.003","960.29","0.07","296","","296","","","","","","","","","5","P -1","-P 1","2","bis(2-benzoylbenzoato)bis(2-pyridilpropanol)copper(II)","","","- C44 H40 Cu N2 O8 -","- C44 H40 Cu N2 O8 -","- C44 H40 Cu N2 O8 -","1","0.5","","Sema Caglar; Ekrem Adiguzel; Bulent Caglar; Tuba Saykal; Ertan Sahin; Orhan Buyukgungor","Synthesis, crystal structure, spectroscopic, thermal, catechol oxidase and catalase-like studies: New copper(II) complexes of 2-benzoylbenzoate and 2-pyridilpropanol ligands","Inorganica Chimica Acta","2013","397","","101","109","10.1016/j.ica.2012.11.028","","","0.71073","MoKα","","0.0405","0.0365","","","0.0853","0.0871","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513176","10.821","0.005","15.026","0.005","12.219","0.005","90","0.005","99.168","0.005","90","0.005","1961.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Cu N O4 -","- C22 H19 Cu N O4 -","- C88 H76 Cu4 N4 O16 -","4","1","","Sema Caglar; Ekrem Adiguzel; Bulent Caglar; Tuba Saykal; Ertan Sahin; Orhan Buyukgungor","Synthesis, crystal structure, spectroscopic, thermal, catechol oxidase and catalase-like studies: New copper(II) complexes of 2-benzoylbenzoate and 2-pyridilpropanol ligands","Inorganica Chimica Acta","2013","397","","101","109","10.1016/j.ica.2012.11.028","","","0.71073","MoKα","","0.0786","0.0497","","","0.1052","0.1176","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513177","10.295","0.005","17.826","0.005","7.705","0.005","90","","101.897","0.005","90","","1383.6","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl4 Mn2 N2 O6 -","- C22 H28 Cl4 Mn2 N2 O6 -","- C44 H56 Cl8 Mn4 N4 O12 -","2","0.5","","Yasemin Yahsi; Hulya Kara","Synthesis, structural analysis and magnetic properties of two novel doubly oxygen bridged binuclear manganese(III) and copper(II) complexes with ONO tridentate ligands","Inorganica Chimica Acta","2013","397","","110","116","10.1016/j.ica.2012.11.029","","","0.71069","MoKα","","0.0866","0.0452","","","0.1026","0.1136","","","","","","0.902","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513178","5.2082","0.0003","15.8065","0.0012","15.2221","0.0012","90","","106.717","0.006","90","","1200.17","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Cl2 Cu N O2 -","- C13 H7 Cl2 Cu N O2 -","- C52 H28 Cl8 Cu4 N4 O8 -","4","1","","Yasemin Yahsi; Hulya Kara","Synthesis, structural analysis and magnetic properties of two novel doubly oxygen bridged binuclear manganese(III) and copper(II) complexes with ONO tridentate ligands","Inorganica Chimica Acta","2013","397","","110","116","10.1016/j.ica.2012.11.029","","","0.71073","MoKα","","0.082","0.0372","","","0.067","0.075","","","","","","0.817","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513179","20.452","0.003","7.2803","0.001","21.203","0.003","90","","90","","90","","3157.1","0.8","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H12 Cl N3 O3 Zn -","- C16 H12 Cl N3 O3 Zn -","- C128 H96 Cl8 N24 O24 Zn8 -","8","1","","Fei Yuan; Qiao-E Zhu; Huai-Ming Hu; Juan Xie; Bing Xu; Chun-Mei Yuan; Meng-Lin Yang; Fa-Xin Dong; Gang-Lin Xue","Three novel coordination polymers based on bifunctionalized ligand 4'-carboxy-4,2':6',4'-terpyridine","Inorganica Chimica Acta","2013","397","","117","123","10.1016/j.ica.2012.11.030","","","0.71073","MoKα","","0.0697","0.0529","","","0.1173","0.1266","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513180","7.769","0.004","9.854","0.005","11.197","0.006","82.189","0.009","80.792","0.009","73.98","0.009","809.5","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N3 O4 Zn -","- C20 H12 N3 O4 Zn -","- C40 H24 N6 O8 Zn2 -","2","1","","Fei Yuan; Qiao-E Zhu; Huai-Ming Hu; Juan Xie; Bing Xu; Chun-Mei Yuan; Meng-Lin Yang; Fa-Xin Dong; Gang-Lin Xue","Three novel coordination polymers based on bifunctionalized ligand 4'-carboxy-4,2':6',4'-terpyridine","Inorganica Chimica Acta","2013","397","","117","123","10.1016/j.ica.2012.11.030","","","0.71073","MoKα","","0.0512","0.0434","","","0.094","0.0985","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513181","9.5561","0.0007","16.1623","0.0012","11.506","0.0008","90","","101.398","0.001","90","","1742","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cu N3 O4 -","- C20 H12 Cu N3 O4 -","- C80 H48 Cu4 N12 O16 -","4","1","","Fei Yuan; Qiao-E Zhu; Huai-Ming Hu; Juan Xie; Bing Xu; Chun-Mei Yuan; Meng-Lin Yang; Fa-Xin Dong; Gang-Lin Xue","Three novel coordination polymers based on bifunctionalized ligand 4'-carboxy-4,2':6',4'-terpyridine","Inorganica Chimica Acta","2013","397","","117","123","10.1016/j.ica.2012.11.030","","","0.71073","MoKα","","0.0501","0.0374","","","0.0928","0.1005","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513182","6.9968","0.001","8.4323","0.0013","13.606","0.002","75.395","0.003","81.482","0.003","75.678","0.003","749.51","0.19","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","Rh(bpy)(CH3)(H2))]2+ 2[BF4]-","","","- C12 H11 I2 N2 O Rh -","- C12 H11 I2 N2 O Rh -","- C24 H22 I4 N4 O2 Rh2 -","2","1","","Kimberly A. Manbeck; William W. Brennessel; William D. Jones","Examination of a dicationic rhodium methyl aquo complex","Inorganica Chimica Acta","2013","397","","140","143","10.1016/j.ica.2012.12.002","","","0.71073","MoKα","","0.0892","0.0633","","","0.1611","0.1749","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513183","45.815","0.012","13.88","0.003","16.375","0.004","90","","106.948","0.006","90","","9961","4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C68 H76.75 Cd5 Cl4 N36 O29.5 -","- C66 H66 Cd5 Cl4 N36 O27.5 -","- C264 H264 Cd20 Cl16 N144 O110 -","4","1","","Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; James A. Golen; Arnold L. Rheingold; Susanta Kumar Kar","A rare pentanuclear cadmium(II) complex and two new mononuclear zinc(II) complexes of pyrazole derived ditopic ligands - Synthesis, crystal structures and spectral studies","Inorganica Chimica Acta","2013","397","","144","151","10.1016/j.ica.2012.12.003","","","0.71073","MoKα","","0.0801","0.0658","","","0.1725","0.1865","","","","","","1.113","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1513184","11.4714","0.0014","12.0739","0.0014","13.8484","0.0017","95.29","0.001","96.499","0.002","108.485","0.001","1790.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl2 N12 O11 Zn -","- C22 H24 N12 O2 Zn -","- C44 H48 N24 O4 Zn2 -","2","1","","Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; James A. Golen; Arnold L. Rheingold; Susanta Kumar Kar","A rare pentanuclear cadmium(II) complex and two new mononuclear zinc(II) complexes of pyrazole derived ditopic ligands - Synthesis, crystal structures and spectral studies","Inorganica Chimica Acta","2013","397","","144","151","10.1016/j.ica.2012.12.003","","","0.71073","MoKα","","0.0694","0.0567","","","0.1545","0.1624","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513185","11.7107","0.0006","12.015","0.0006","12.1097","0.0006","101.593","0.001","97.933","0.001","94.924","0.001","1641.79","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cl2 N14 O12 Zn -","- C22 H30 Cl2 N14 O12 Zn -","- C44 H60 Cl4 N28 O24 Zn2 -","2","1","","Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; James A. Golen; Arnold L. Rheingold; Susanta Kumar Kar","A rare pentanuclear cadmium(II) complex and two new mononuclear zinc(II) complexes of pyrazole derived ditopic ligands - Synthesis, crystal structures and spectral studies","Inorganica Chimica Acta","2013","397","","144","151","10.1016/j.ica.2012.12.003","","","0.71073","MoKα","","0.0638","0.0416","","","0.099","0.108","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513186","27.993","0.005","10.587","0.002","33.716","0.006","90","","107.199","0.003","90","","9545","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H92 Co4 N16 O19 -","- C104 H92 Co4 N16 O19 -","- C416 H368 Co16 N64 O76 -","4","1","","Xiu-Li Wang; Li-Li Hou; Ju-Wen Zhang; Guo-Cheng Liu; Bao Mu; Hong-Yan Lin","Two different dimensional bbbm-based cobalt(II) coordination polymers tuned by benzenedicarboxylates: Assembly, structures and properties","Inorganica Chimica Acta","2013","397","","89","93","","","","0.71073","MoKα","","0.2426","0.088","","","0.1923","0.2303","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513187","16.225","0.005","18.445","0.005","16.083","0.005","90","0.005","108.718","0.005","90","0.005","4559","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Co N4 O4 -","- C26 H22 Co N4 O4 -","- C208 H176 Co8 N32 O32 -","8","1","","Xiu-Li Wang; Li-Li Hou; Ju-Wen Zhang; Guo-Cheng Liu; Bao Mu; Hong-Yan Lin","Two different dimensional bbbm-based cobalt(II) coordination polymers tuned by benzenedicarboxylates: Assembly, structures and properties","Inorganica Chimica Acta","2013","397","","89","93","","","","0.71069","MoKα","","0.1891","0.0774","","","0.1132","0.1497","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513188","20.619","0.003","12.2601","0.0005","16.954","0.002","90","","134.5","0.02","90","","3056.9","1.2","130","2","130","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Tetra-μ-acetate-bis(1-(2-methyl-5-nitro-1H-imidazol-1-yl) propan-2-ol)dicopper(II)","","- C22 H32 Cu2 N6 O14 -","- C22 H32 Cu2 N6 O14 -","- C88 H128 Cu8 N24 O56 -","4","0.5","","Soledad Betanzos-Lara; Isabel Gracia-Mora; Pilar Granada-Macias; Marcos Flores-Alamo; Norah Barba-Behrens","Synthesis, characterization, and biological activity of cobalt(II), nickel(II), copper(II), and zinc(II) complexes of secnidazole","Inorganica Chimica Acta","2013","397","","94","100","10.1016/j.ica.2012.11.026","","x-ray","1.54184","CuKα","","0.0669","0.0592","","","0.1563","0.1635","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513189","11.8501","0.0017","13.8162","0.0019","16.364","0.002","71.002","0.002","69.183","0.002","68.885","0.002","2275.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H12 F N6 Pt S4 -","- C20 H12 F N6 Pt S4 -","- C80 H48 F4 N24 Pt4 S16 -","4","2","","Wen-Bo Pei; Jian-Sheng Wu; Wei-Hua Ning; Zheng-Fang Tian; Jian-Lan Liu; Xiao-Ming Ren","One-dimensional metal-bis-dithiolene compounds with diverse ion-pair arrangements, various magnetic properties and intense near-infrared absorption","Inorganica Chimica Acta","2013","398","","28","39","10.1016/j.ica.2012.12.008","","","0.71073","MoKα","","0.0663","0.0374","","","0.0834","0.0998","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513190","7.4383","0.0019","26.45","0.007","12.688","0.003","90","","105.54","0.004","90","","2405","1.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 Br N6 Pt S4 -","- C20 H12 Br N6 Pt S4 -","- C80 H48 Br4 N24 Pt4 S16 -","4","1","","Wen-Bo Pei; Jian-Sheng Wu; Wei-Hua Ning; Zheng-Fang Tian; Jian-Lan Liu; Xiao-Ming Ren","One-dimensional metal-bis-dithiolene compounds with diverse ion-pair arrangements, various magnetic properties and intense near-infrared absorption","Inorganica Chimica Acta","2013","398","","28","39","10.1016/j.ica.2012.12.008","","","0.71073","MoKα","","0.086","0.0458","","","0.0876","0.0989","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513191","7.6015","0.0008","26.647","0.003","12.5645","0.0013","90","","104.974","0.001","90","","2458.6","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 I N6 Pt S4 -","- C20 H12 I N6 Pt S4 -","- C80 H48 I4 N24 Pt4 S16 -","4","1","","Wen-Bo Pei; Jian-Sheng Wu; Wei-Hua Ning; Zheng-Fang Tian; Jian-Lan Liu; Xiao-Ming Ren","One-dimensional metal-bis-dithiolene compounds with diverse ion-pair arrangements, various magnetic properties and intense near-infrared absorption","Inorganica Chimica Acta","2013","398","","28","39","10.1016/j.ica.2012.12.008","","","0.71073","MoKα","","0.0778","0.058","","","0.1677","0.1859","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513192","7.5936","0.0007","11.6602","0.0011","14.6201","0.0013","69.291","0.001","84.595","0.001","88.04","0.001","1205.48","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H12 F3 N6 Pt S4 -","- C21 H12 F3 N6 Pt S4 -","- C42 H24 F6 N12 Pt2 S8 -","2","1","","Wen-Bo Pei; Jian-Sheng Wu; Wei-Hua Ning; Zheng-Fang Tian; Jian-Lan Liu; Xiao-Ming Ren","One-dimensional metal-bis-dithiolene compounds with diverse ion-pair arrangements, various magnetic properties and intense near-infrared absorption","Inorganica Chimica Acta","2013","398","","28","39","10.1016/j.ica.2012.12.008","","","0.71073","MoKα","","0.036","0.0321","","","0.0798","0.0825","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513193","7.605","0.004","11.701","0.005","14.586","0.007","68.276","0.005","84.803","0.006","88.484","0.006","1200.8","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H12 F3 N6 Ni S4 -","- C21 H12 F3 N6 Ni S4 -","- C42 H24 F6 N12 Ni2 S8 -","2","1","","Wen-Bo Pei; Jian-Sheng Wu; Wei-Hua Ning; Zheng-Fang Tian; Jian-Lan Liu; Xiao-Ming Ren","One-dimensional metal-bis-dithiolene compounds with diverse ion-pair arrangements, various magnetic properties and intense near-infrared absorption","Inorganica Chimica Acta","2013","398","","28","39","10.1016/j.ica.2012.12.008","","","0.71073","MoKα","","0.1219","0.06","","","0.1207","0.1377","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513194","7.093","0.0001","7.2931","0.0001","9.3585","0.0002","78.721","0.001","69.955","0.001","65.168","0.001","411.983","0.013","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 Co N8 -","- C16 H12 Co N8 -","- C16 H12 Co N8 -","1","0.5","","Sumitava Khan; Subhasis Roy; Kishalay Bhar; Rajarshi Ghosh; Chia-Her Lin; Joan Ribas; Barindra Kumar Ghosh","Syntheses, structures and magnetic properties of two neutral coordination polymers of cobalt(II) containing a tailored aromatic diamine and pseudohalides as bridging units: Control of dimensionality by varying pseudohalide","Inorganica Chimica Acta","2013","398","","40","45","10.1016/j.ica.2012.12.009","","","0.71073","MoKα","","0.0357","0.0311","","","0.0789","0.0817","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513195","12.004","0.0002","5.4438","0.0001","10.4886","0.0002","90","","111.489","0.001","90","","637.76","0.02","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Co N8 -","- C12 H12 Co N8 -","- C24 H24 Co2 N16 -","2","0.5","","Sumitava Khan; Subhasis Roy; Kishalay Bhar; Rajarshi Ghosh; Chia-Her Lin; Joan Ribas; Barindra Kumar Ghosh","Syntheses, structures and magnetic properties of two neutral coordination polymers of cobalt(II) containing a tailored aromatic diamine and pseudohalides as bridging units: Control of dimensionality by varying pseudohalide","Inorganica Chimica Acta","2013","398","","40","45","10.1016/j.ica.2012.12.009","","","0.71073","MoKα","","0.0465","0.0317","","","0.0752","0.0813","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513196","10.4176","0.0014","16.197","0.002","21.507","0.003","90","","90","","90","","3629","0.8","123","2","123","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 Cl Fe N O3 P2 Pd S -","- C41 H32 Cl Fe N O3 P2 Pd S -","- C164 H128 Cl4 Fe4 N4 O12 P8 Pd4 S4 -","4","1","","Subhi A. Al-Jibori; Amina I.A. Al-Nassiry; Graeme Hogarth; Luca Salassa","Platinum and palladium bis(diphenylphosphino)ferrocene (dppf) complexes with heterocyclic N-acetamide ligands: Synthesis and molecular structures of [MCl(sac)(k2-dppf)] (M = Pt, Pd, sac = saccharinate), [PtCl(ata)(k2-dppf)] and [Pt(ata)2(k2-dppf)] (ataH = N-(2-thiazolyl)acetamide","Inorganica Chimica Acta","2013","398","","46","53","10.1016/j.ica.2012.12.010","","","0.71073","MoKα","","0.0511","0.0419","","","0.0866","0.0897","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513197","10.422","0.0009","16.2327","0.0015","21.504","0.002","90","","90","","90","","3638","0.6","123","2","123","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 Cl Fe N O3 P2 Pt S -","- C41 H32 Cl Fe N O3 P2 Pt S -","- C164 H128 Cl4 Fe4 N4 O12 P8 Pt4 S4 -","4","1","","Subhi A. Al-Jibori; Amina I.A. Al-Nassiry; Graeme Hogarth; Luca Salassa","Platinum and palladium bis(diphenylphosphino)ferrocene (dppf) complexes with heterocyclic N-acetamide ligands: Synthesis and molecular structures of [MCl(sac)(k2-dppf)] (M = Pt, Pd, sac = saccharinate), [PtCl(ata)(k2-dppf)] and [Pt(ata)2(k2-dppf)] (ataH = N-(2-thiazolyl)acetamide","Inorganica Chimica Acta","2013","398","","46","53","10.1016/j.ica.2012.12.010","","","0.71073","MoKα","","0.0404","0.0336","","","0.0624","0.0643","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513198","10.3891","0.0014","10.5578","0.0014","17.298","0.002","77.669","0.002","85.18","0.002","69.84","0.002","1739.9","0.4","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C39 H33 Cl Fe N2 O P2 Pt S -","- C39 H33 Cl Fe N2 O P2 Pt S -","- C78 H66 Cl2 Fe2 N4 O2 P4 Pt2 S2 -","2","1","","Subhi A. Al-Jibori; Amina I.A. Al-Nassiry; Graeme Hogarth; Luca Salassa","Platinum and palladium bis(diphenylphosphino)ferrocene (dppf) complexes with heterocyclic N-acetamide ligands: Synthesis and molecular structures of [MCl(sac)(k2-dppf)] (M = Pt, Pd, sac = saccharinate), [PtCl(ata)(k2-dppf)] and [Pt(ata)2(k2-dppf)] (ataH = N-(2-thiazolyl)acetamide","Inorganica Chimica Acta","2013","398","","46","53","10.1016/j.ica.2012.12.010","","","0.71073","MoKα","","0.0514","0.0405","","","0.0833","0.0876","","","","","","0.972","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513199","12.422","0.002","23.007","0.004","17.388","0.003","90","","100.469","0.003","90","","4886.6","1.4","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C44 H38 Fe N4 O2 P2 Pt S2 -","- C44 H38 Fe N4 O2 P2 Pt S2 -","- C176 H152 Fe4 N16 O8 P8 Pt4 S8 -","4","2","","Subhi A. Al-Jibori; Amina I.A. Al-Nassiry; Graeme Hogarth; Luca Salassa","Platinum and palladium bis(diphenylphosphino)ferrocene (dppf) complexes with heterocyclic N-acetamide ligands: Synthesis and molecular structures of [MCl(sac)(k2-dppf)] (M = Pt, Pd, sac = saccharinate), [PtCl(ata)(k2-dppf)] and [Pt(ata)2(k2-dppf)] (ataH = N-(2-thiazolyl)acetamide","Inorganica Chimica Acta","2013","398","","46","53","10.1016/j.ica.2012.12.010","","","0.71073","MoKα","","0.1395","0.0973","","","0.2392","0.2644","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513200","9.2242","0.0003","9.4337","0.0003","15.2031","0.0004","89.97","0.001","81.774","0.001","74.289","0.001","1259.41","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cl P2 Pd -","- C25 H29 Cl P2 Pd -","- C50 H58 Cl2 P4 Pd2 -","2","1","","Yong-Joo Kim; Hyun-Kyung Kim; Jung-Hyun Lee; Zhen Nu Zheng; Soon W. Lee","Synthesis and structures of n1-allenyl and/or -propargyl Pd(II) complexes and their reactivity toward trimethylsilyl pseudohalides, organic thiols, and N-heterocyclic carbene ligands","Inorganica Chimica Acta","2013","398","","54","63","10.1016/j.ica.2012.12.011","","","0.71073","MoKα","","0.0398","0.0321","","","0.0751","0.0785","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513201","12.1748","0.0005","14.5911","0.0006","14.2045","0.0006","90","","100.889","0.002","90","","2477.91","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 Cl P2 Pd -","- C21 H37 Cl P2 Pd -","- C84 H148 Cl4 P8 Pd4 -","4","1","","Yong-Joo Kim; Hyun-Kyung Kim; Jung-Hyun Lee; Zhen Nu Zheng; Soon W. Lee","Synthesis and structures of n1-allenyl and/or -propargyl Pd(II) complexes and their reactivity toward trimethylsilyl pseudohalides, organic thiols, and N-heterocyclic carbene ligands","Inorganica Chimica Acta","2013","398","","54","63","10.1016/j.ica.2012.12.011","","","0.71073","MoKα","","0.0393","0.025","","","0.053","0.0583","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513202","8.6682","0.0001","9.8587","0.0002","18.9137","0.0003","90","","95.411","0.001","90","","1609.11","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H21 N P2 Pd S -","- C10 H21 N P2 Pd S -","- C40 H84 N4 P8 Pd4 S4 -","4","1","","Yong-Joo Kim; Hyun-Kyung Kim; Jung-Hyun Lee; Zhen Nu Zheng; Soon W. Lee","Synthesis and structures of n1-allenyl and/or -propargyl Pd(II) complexes and their reactivity toward trimethylsilyl pseudohalides, organic thiols, and N-heterocyclic carbene ligands","Inorganica Chimica Acta","2013","398","","54","63","10.1016/j.ica.2012.12.011","","","0.71073","MoKα","","0.0346","0.0245","","","0.0573","0.0626","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513203","14.0682","0.0006","11.0519","0.0004","11.8852","0.0005","90","","107.039","0.002","90","","1766.8","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H23 Cl P2 Pd S -","- C12 H23 Cl P2 Pd S -","- C48 H92 Cl4 P8 Pd4 S4 -","4","1","","Yong-Joo Kim; Hyun-Kyung Kim; Jung-Hyun Lee; Zhen Nu Zheng; Soon W. Lee","Synthesis and structures of n1-allenyl and/or -propargyl Pd(II) complexes and their reactivity toward trimethylsilyl pseudohalides, organic thiols, and N-heterocyclic carbene ligands","Inorganica Chimica Acta","2013","398","","54","63","10.1016/j.ica.2012.12.011","","","0.71073","MoKα","","0.039","0.0284","","","0.0654","0.07","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513204","12.7346","0.0003","15.8979","0.0003","19.299","0.0004","90","","98.601","0.001","90","","3863.21","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H52 Cl N2 P Pd -","- C39 H52 Cl N2 P Pd -","- C156 H208 Cl4 N8 P4 Pd4 -","4","1","","Yong-Joo Kim; Hyun-Kyung Kim; Jung-Hyun Lee; Zhen Nu Zheng; Soon W. Lee","Synthesis and structures of n1-allenyl and/or -propargyl Pd(II) complexes and their reactivity toward trimethylsilyl pseudohalides, organic thiols, and N-heterocyclic carbene ligands","Inorganica Chimica Acta","2013","398","","54","63","10.1016/j.ica.2012.12.011","","","0.71073","MoKα","","0.056","0.0336","","","0.0733","0.0821","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513205","10.393","0.003","5.8516","0.0018","11.833","0.004","90","","99.555","0.004","90","","709.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N O -","- C21 H15 N O -","- C42 H30 N2 O2 -","2","0.5","","Animesh Sahana; Arnab Banerjee; Sisir Lohar; Sudipta Das; Ipsit Hauli; Subhra Kanti Mukhopadhyay; Jesus Sanmartin Matalobos; Debasis Das","Naphthalene based highly selective OFF-ON-OFF type fluorescent probe for Al3+ and NO2- ions for living cell imaging at physiological pH","Inorganica Chimica Acta","2013","398","","64","71","10.1016/j.ica.2012.12.012","","","0.71073","MoKα","","0.124","0.0967","","","0.18","0.1891","","","","","","1.181","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513206","12.091","0.006","12.663","0.006","24.743","0.012","90","","90","","90","","3788","3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H45 N2 O9 P Ru -","- C41 H45 N2 O9 P Ru -","- C164 H180 N8 O36 P4 Ru4 -","4","1","","Soumik Mandal; Santanu Mandal; Dipravath K. Seth; Balaram Mukhopadhyay; Parna Gupta","Ruthenium and osmium complexes of novel carbohydrate derived salen ligands: Synthesis, characterization and in situ ligand reduction","Inorganica Chimica Acta","2013","398","","83","88","10.1016/j.ica.2012.12.016","","","0.71073","MoKα","","0.1499","0.069","","","0.0755","0.0944","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513207","13.595","0.006","16.977","0.007","19.141","0.008","90","","90","","90","","4418","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H45 N2 O6 Os P -","- C47 H45 N2 O6 Os P -","- C188 H180 N8 O24 Os4 P4 -","4","1","","Soumik Mandal; Santanu Mandal; Dipravath K. Seth; Balaram Mukhopadhyay; Parna Gupta","Ruthenium and osmium complexes of novel carbohydrate derived salen ligands: Synthesis, characterization and in situ ligand reduction","Inorganica Chimica Acta","2013","398","","83","88","10.1016/j.ica.2012.12.016","","","0.71073","MoKα","","0.078","0.045","","","0.0894","0.1021","","","","","","0.987","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513208","8.0122","0.0012","7.3011","0.0009","8.5625","0.0012","90","","110.03","0.015","90","","470.59","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H16 N10 Ni O2 -","- C2 H16 N10 Ni O2 -","- C4 H32 N20 Ni2 O4 -","2","0.5","","Vinod P. Singh; Monika Mishra; Karishma Tiwari","Structural investigations on bis-(semicarbazido)dihydrazine nickel(II) complex synthesized by using uracil and hydrazine hydrate","Inorganica Chimica Acta","2013","398","","89","97","10.1016/j.ica.2012.12.017","","","0.71073","MoKα","","0.0571","0.0521","","","0.1434","0.1491","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513209","5.3232","","11.5105","","13.5562","","102.864","","97.414","","91.461","","801.743","","293","","293","","","","","","","","From the Blue Lizard mine, San Juan County, Utah, USA","5","P -1","-P 1","2","","","Meisserite","- H3 Na5 O19 S4 U -","- H3 Na5 O19 S4 U -","- H6 Na10 O38 S8 U2 -","2","1","","J. Plášil; A. R. Kampf; A. V. Kasatkin; J. Marty; R. Škoda; S. Silva; J. Čejka","Meisserite, Na5(UO2)(SO4)3(SO3OH)(H2O), a new uranyl sulfate mineral from the Blue Lizard mine, San Juan County, Utah, USA","Mineralogical Magazine","2013","77","7","2975","2988","10.1180/minmag.2013.077.7.07","","x-ray","0.71075","MoKα","","0.0215","0.018","","","0.0439","0.0457","","","","1.36","1.36","1.34","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"1513214","15.5479","0.0011","10.6631","0.0008","14.845","0.0011","90","","101.674","0.001","90","","2410.2","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H26 B10 Cu2 N4 -","- C20 H26 B10 Cu2 N4 -","- C80 H104 B40 Cu8 N16 -","4","1","","Vologzhanina, Anna V.; Korlyukov, Alexander A.; Avdeeva, Varvara V.; Polyakova, Irina N.; Malinina, Elena A.; Kuznetsov, Nikolai T.","Theoretical QTAIM, ELI-D, and Hirshfeld Surface Analysis of the Cu-(H)B Interaction in [Cu2(bipy)2B10H10].","The journal of physical chemistry. A","2013","117","49","13138","13150","10.1021/jp405270u","","","0.71073","MoKα","","0.0561","0.0506","","","0.1115","0.1127","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513215","10.2377","0.0002","11.7776","0.0002","15.0852","0.0002","98.004","0.001","99.653","0.001","97.468","0.001","1753.65","0.05","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","turro1917","","","- C34 H26 F12 N6 P2 Ru -","- C34 H26 F12 N6 P2 Ru -","- C68 H52 F24 N12 P4 Ru2 -","2","1","","Albani, Bryan A.; Durr, Christopher B.; Turro, Claudia","Selective Photoinduced Ligand Exchange in a New Tris-Heteroleptic Ru(II) Complex.","The journal of physical chemistry. A","2013","117","50","13885","13892","10.1021/jp4085684","","x-ray","0.71073","MoKα","","0.0568","0.0479","","","0.1361","0.1465","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513216","9.9878","0.0003","11.866","0.0003","18.5529","0.0004","98.583","0.002","92.11","0.002","99.059","0.001","2142.96","0.1","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","turro1923","","","- C41.55 H38.36 F12 N6 O P2 Ru -","- C41.546 H38.364 F12 N6 O P2 Ru -","- C83.092 H76.728 F24 N12 O2 P4 Ru2 -","2","1","","Albani, Bryan A.; Durr, Christopher B.; Turro, Claudia","Selective Photoinduced Ligand Exchange in a New Tris-Heteroleptic Ru(II) Complex.","The journal of physical chemistry. A","2013","117","50","13885","13892","10.1021/jp4085684","","x-ray","0.71073","MoKα","","0.077","0.0552","","","0.1569","0.1782","","","","","","1.138","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513217","11.7897","0.0008","10.584","0.0006","13.6153","0.0006","90","","97.989","0.01","90","","1682.46","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Bromoethyl sulfonium trifluoromethanesulfonate","Bromoethyl sulfonium trifluoromethanesulfonate","","- C15 H14 Br F3 O3 S2 -","- C15 H14 Br F3 O3 S2 -","- C60 H56 Br4 F12 O12 S8 -","4","1","","Ahmed, Maqsood; Yar, Muhammad; Nassour, Ayoub; Guillot, Benoit; Lecomte, Claude; Jelsch, Christian","Experimental and theoretical charge density analysis of a bromoethyl sulfonium salt.","The journal of physical chemistry. A","2013","117","51","14267","14275","10.1021/jp410301d","","","0.71073","MoKα","","0.0168","0.0168","","","0.0114","0.0114","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513218","11.2384","0.0002","12.0287","0.0003","19.6185","0.0004","90","","90","","90","","2652.09","0.1","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 O12 -","- C26 H38 O12 -","- C104 H152 O48 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","1.54178","CuKα","","0.0352","0.0346","","","0.111","0.1118","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513219","11.6397","0.0002","11.7388","0.0002","19.9846","0.0003","90","","90","","90","","2730.62","0.08","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O11 -","- C28 H40 O11 -","- C112 H160 O44 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","1.54178","CuKα","","0.0345","0.0339","","","0.0912","0.092","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513220","11.3438","0.0008","14.0817","0.0009","16.2703","0.001","90","","90","","90","","2599","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","K4C521XC","","","- C26 H38 O12 -","- C26 H38 O12 -","- C104 H152 O48 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","0.71073","MoKα","","0.0421","0.0369","","","0.0874","0.0968","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513221","11.3539","0.0001","11.8861","0.0001","21.7292","0.0002","90","","90","","90","","2932.43","0.04","140","2","140","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O11 -","- C29 H44 O11 -","- C116 H176 O44 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","1.54178","CuKα","","0.0322","0.0318","","","0.0862","0.0865","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513222","20.3979","0.0007","9.6961","0.0003","16.0481","0.0006","90","","99.429","0.002","90","","3131.11","0.19","140","2","140","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C29 H44 O11 -","- C29 H44 O11 -","- C116 H176 O44 -","4","1","","Zheng, Yong; Zhang, Shu-Wei; Cong, Hai-Jian; Huang, Yu-Jie; Xuan, Li-Jiang","Caesalminaxins A‒L, Cassane Diterpenoids from the Seeds ofCaesalpinia minax","Journal of Natural Products","2013","76","12","2210","","10.1021/np400545v","","","1.54178","CuKα","","0.0674","0.066","","","0.1793","0.181","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513223","8.5553","0.0002","7.058","0.0002","18.5846","0.0005","90","","94.668","0.001","90","","1118.48","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H36 O8 -","- C22 H36 O8 -","- C44 H72 O16 -","2","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0312","0.031","","","0.0872","0.0875","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513224","8.4307","0.0002","11.7779","0.0003","23.1333","0.0005","90","","90","","90","","2297.04","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O8 -","- C23 H38 O8 -","- C92 H152 O32 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0294","0.0291","","","0.0792","0.0795","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513225","7.5784","0.0001","10.6565","0.0002","26.4145","0.0005","90","","90","","90","","2133.21","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O7 -","- C22 H32 O7 -","- C88 H128 O28 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.034","0.0335","","","0.0923","0.0928","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513226","6.506","","13.7","","20.624","","90","","90","","90","","1838.26","","296","2","296","2","","","","","","","","3","P 2 21 21","P 2bc 2","18","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","0.71073","MoKα","","0.0413","0.0388","","","0.1037","0.1043","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513227","7.5766","0.0002","10.629","0.0002","26.1402","0.0005","90","","90","","90","","2105.11","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O7 -","- C22 H32 O7 -","- C88 H128 O28 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0339","0.0336","","","0.0944","0.0949","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513228","6.7118","0.0001","13.4388","0.0002","23.6639","0.0004","90","","90","","90","","2134.45","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 O7 -","- C23 H34 O7 -","- C92 H136 O28 -","4","1","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0348","0.0331","","","0.1081","0.1177","","","","","","1.209","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513229","12.0609","0.0002","6.8263","0.0001","29.7481","0.0005","90","","98.082","0.001","90","","2424.87","0.07","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H36 O7 -","- C24 H36 O7 -","- C96 H144 O28 -","4","2","","Zheng, Heng; Chen, Qiong; Zhang, Mengke; Lai, Yongji; Lei, Liang; Shu, Penghua; Zhang, Jinwen; Xue, Yongbo; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui","Cytotoxic ent-Kaurane Diterpenoids from Salvia cavaleriei.","Journal of natural products","2013","76","12","2253","2262","10.1021/np400600c","","","1.54178","CuKα","","0.0373","0.037","","","0.1032","0.1037","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513230","7.9327","0.0014","11.455","0.002","14.741","0.003","90","","91.991","0.004","90","","1338.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H33 N O2 Si -","- C33 H33 N O2 Si -","- C66 H66 N2 O4 Si2 -","2","1","","Clark, Robert W.; Deaton, T. Maxwell; Zhang, Yan; Moore, Maggie I.; Wiskur, Sheryl L.","Silylation-Based Kinetic Resolution of α-Hydroxy Lactones and Lactams.","Organic letters","2013","15","24","6132","6135","10.1021/ol402982w","","","0.71073","MoKα","","0.0598","0.0466","","","0.0851","0.0907","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513231","10.1046","0.0007","10.2534","0.0007","27.1451","0.0019","90","","98.586","0.002","90","","2780.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Br N O5 -","- C29 H30 Br N O5 -","- C116 H120 Br4 N4 O20 -","4","1","","Ma, Chaoqun; Xing, Dong; Zhai, Changwei; Che, Jiuwei; Liu, Shunying; Wang, Jue; Hu, Wenhao","Iron Porphyrin-Catalyzed Three-Component Reaction of Ethyl Diazoacetate with Aliphatic Amines and β,γ-Unsaturated α-Keto Esters.","Organic letters","2013","15","24","6140","6143","10.1021/ol403011r","","","0.71073","MoKα","","0.0775","0.0563","","","0.1423","0.1569","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513232","20.2766","0.001","11.0112","0.0006","13.5295","0.0006","90","","123.314","0.002","90","","2524.3","0.2","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H10 I N O3 -","- C13 H10 I N O3 -","- C104 H80 I8 N8 O24 -","8","2","","Murata, Yusuke; Takahashi, Masaki; Yagishita, Fumitoshi; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi","Construction of Spiro-Fused 2-Oxindole/α-Methylene- γ-Butyrolactone Systems with Extremely High Enantioselectivity via Indium-Catalyzed Amide Allylation of N-Methyl Isatin.","Organic letters","2013","15","24","6182","6185","10.1021/ol403014u","","","1.54178","CuKα","","0.0729","0.0716","","","0.1939","0.196","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513233","4.5247","0.0002","28.9366","0.0017","9.1022","0.0006","90","","99.297","0.006","90","","1176.09","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(5-cyanooxazol-2-yl)benzoate","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","","Haas, Diana; Mosrin, Marc; Knochel, Paul","Regioselective Functionalization of the Oxazole Scaffold Using TMP-Bases of Mg and Zn.","Organic letters","2013","15","24","6162","6165","10.1021/ol403019c","","","0.71069","MoKα","","0.0993","0.0739","","","0.1278","0.138","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513234","11.138","0.003","7.0903","0.0018","14.392","0.004","90","","95.354","0.004","90","","1131.6","0.5","143","2","143","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 S -","- C28 H25 N O3 S -","- C56 H50 N2 O6 S2 -","2","1","","Ma, Chao; Gu, Jing; Teng, Bin; Zhou, Qing-Qing; Li, Rui; Chen, Ying-Chun","1-azadienes as regio- and chemoselective dienophiles in aminocatalytic asymmetric diels-alder reaction.","Organic letters","2013","15","24","6206","6209","10.1021/ol4030474","","","0.71073","MoKα","","0.0419","0.0374","","","0.0824","0.0858","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1513235","7.3343","0.0002","20.6369","0.0004","7.8664","0.0002","90","","104.127","0.002","90","","1154.63","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H26 F3 N O11 -","- C21 H26 F3 N O11 -","- C42 H52 F6 N2 O22 -","2","1","","Malik, Michał; Witkowski, Grzegorz; Ceborska, Magdalena; Jarosz, Sławomir","Synthesis of Polyhydroxylated Quinolizidines and Azaspiro[4.5]decanes from d-Xylose.","Organic letters","2013","15","24","6214","6217","10.1021/ol403063v","","","1.54184","CuKα","","0.0284","0.0278","","","0.0743","0.0746","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513236","8.891","0.004","16.505","0.007","10.648","0.005","90","","101.244","0.007","90","","1532.6","1.2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 F3 N O2 S -","- C16 H12 F3 N O2 S -","- C64 H48 F12 N4 O8 S4 -","4","1","","Sun, Xiaoqian; Lyu, Youran; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","Formation of Functionalized 2H-Azirines through PhIO-Mediated Trifluoroethoxylation and Azirination of Enamines.","Organic letters","2013","15","24","6222","6225","10.1021/ol4030716","","","0.71073","MoKα","","0.0801","0.0714","","","0.2508","0.256","","","","","","1.191","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513237","6.2651","0.0007","11.9132","0.0012","14.2495","0.0015","92.588","0.002","94.143","0.002","97.956","0.002","1048.92","0.19","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C29 H26 -","- C29 H26 -","- C58 H52 -","2","1","","Sinu, C. R.; Suresh, Eringathodi; Nair, Vijay","N-heterocyclic carbene catalyzed reaction of cinnamils leading to the formation of 2,3,8-triaryl vinyl fulvenes: an uncommon transformation.","Organic letters","2013","15","24","6230","6233","10.1021/ol4030748","","","0.71073","MoKα","","0.0461","0.0429","","","0.1197","0.1233","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513238","11.5918","0.0018","11.6391","0.0017","16.613","0.003","98.401","0.003","104.892","0.003","91.752","0.003","2137.4","0.6","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H17 Cl3 -","- C26 H17 Cl3 -","- C104 H68 Cl12 -","4","2","","Sinu, C. R.; Suresh, Eringathodi; Nair, Vijay","N-heterocyclic carbene catalyzed reaction of cinnamils leading to the formation of 2,3,8-triaryl vinyl fulvenes: an uncommon transformation.","Organic letters","2013","15","24","6230","6233","10.1021/ol4030748","","","0.71073","MoKα","","0.1163","0.0938","","","0.1908","0.2022","","","","","","1.215","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513239","14.544","0.011","26.44","0.019","25.33","0.03","90","","93.68","0.02","90","","9720","15","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H46 B2 S -","- C54 H46 B2 S -","- C432 H368 B16 S8 -","8","4","","Shuto, Ayumi; Kushida, Tomokatsu; Fukushima, Tatsuya; Kaji, Hironori; Yamaguchi, Shigehiro","π-Extended Planarized Triphenylboranes with Thiophene Spacers.","Organic letters","2013","15","24","6234","6237","10.1021/ol403084x","","","0.7107","MoKa","","0.0988","0.088","","","0.2447","0.2571","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513240","15.74","0.07","8.443","0.017","16.49","0.04","90","","101.67","0.08","90","","2146","12","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H48 B2 S2 -","- C58 H48 B2 S2 -","- C116 H96 B4 S4 -","2","0.5","","Shuto, Ayumi; Kushida, Tomokatsu; Fukushima, Tatsuya; Kaji, Hironori; Yamaguchi, Shigehiro","π-Extended Planarized Triphenylboranes with Thiophene Spacers.","Organic letters","2013","15","24","6234","6237","10.1021/ol403084x","","","0.7107","MoKa","","0.0957","0.0708","","","0.1789","0.2005","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513241","14.8863","0.0002","25.4284","0.0004","6.6202","0.0001","90","","90","","90","","2505.98","0.06","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H44 O3 Si -","- C24 H44 O3 Si -","- C96 H176 O12 Si4 -","4","1","","Ravindar, Kontham; Caron, Pierre-Yves; Deslongchamps, Pierre","Total synthesis of (+)-cassaine utilizing an anionic polycyclization strategy.","Organic letters","2013","15","24","6270","6273","10.1021/ol4030937","","","0.71073","MoKα","","0.048","0.0444","","","0.1221","0.1261","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513242","7.6211","0.0019","9.961","0.002","12.646","0.003","102.593","0.019","106.1","0.02","96.22","0.02","885.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 F3 O2 S2 -","- C18 H15 F3 O2 S2 -","- C36 H30 F6 O4 S4 -","2","1","","Liu, Xiao; Pan, Ling; Dong, Jinhuan; Xu, Xianxiu; Zhang, Qian; Liu, Qun","1,3-Carbothiolation of 4-(Trifluoromethyl)-p-Quinols: A New Access to Functionalized (Trifluoromethyl)arenes.","Organic letters","2013","15","24","6242","6245","10.1021/ol403096g","","","0.71073","MoKα","","0.0993","0.074","","","0.1974","0.2309","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513243","9.275","0.0003","5.21","0.0001","30.144","0.0008","90","","92.211","0.002","90","","1455.56","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 F3 O S -","- C16 H13 F3 O S -","- C64 H52 F12 O4 S4 -","4","1","","Liu, Xiao; Pan, Ling; Dong, Jinhuan; Xu, Xianxiu; Zhang, Qian; Liu, Qun","1,3-Carbothiolation of 4-(Trifluoromethyl)-p-Quinols: A New Access to Functionalized (Trifluoromethyl)arenes.","Organic letters","2013","15","24","6242","6245","10.1021/ol403096g","","","0.71069","MoKα","","0.0808","0.0665","","","0.18","0.2036","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513244","11.248","0.005","10.106","0.005","11.44","0.005","90","","104.724","0.011","90","","1257.7","1","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H31 Br O5 -","- C28 H31 Br O5 -","- C56 H62 Br2 O10 -","2","1","","Hong, Bor-Cherng; Lin, Cheng-Wei; Liao, Wei-Kai; Lee, Gene-Hsiang","Sequential asymmetric catalysis in Michael-Michael-Michael-aldol reactions: merging organocatalysis with photoredox catalysis in a one-pot enantioselective synthesis of highly functionalized decalines bearing a quaternary carbon stereocenter.","Organic letters","2013","15","24","6258","6261","10.1021/ol403113c","","","0.71073","MoKα","","0.1084","0.0751","","","0.135","0.1475","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513245","44.087","0.004","7.0736","0.0007","6.2427","0.0005","90","","90","","90","","1946.8","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C88 H112 O16 -","8","1","","Cornella, Josep; Martin, Ruben","Ni-Catalyzed Stereoselective Arylation of Inert C-O bonds at Low Temperatures.","Organic letters","2013","15","24","6298","6301","10.1021/ol4031815","","","0.71073","MoKα","","0.1053","0.076","","","0.1873","0.2004","","","","","","1.147","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513246","7.6358","0.0017","5.6352","0.0006","11.9802","0.0019","90","","101.788","0.01","90","","504.63","0.15","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 O -","- C14 H12 O -","- C28 H24 O2 -","2","0.5","","Cornella, Josep; Martin, Ruben","Ni-Catalyzed Stereoselective Arylation of Inert C-O bonds at Low Temperatures.","Organic letters","2013","15","24","6298","6301","10.1021/ol4031815","","","0.71073","MoKα","","0.0683","0.061","","","0.1663","0.1705","","","","","","1.176","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513247","6.2622","0.001","10.5075","0.0016","12.874","0.002","82.787","0.012","80.414","0.012","73.332","0.011","797.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","3a","","","- C19 H16 N2 O3 -","- C19 H16 N2 O3 -","- C38 H32 N4 O6 -","2","1","","Zhou, Bing; Du, Juanjuan; Yang, Yaxi; Feng, Huijin; Li, Yuanchao","Rhodium-catalyzed direct addition of aryl C-h bonds to nitrosobenzenes at room temperature.","Organic letters","2013","15","24","6302","6305","10.1021/ol403187t","","","0.71073","MoKα","","0.0915","0.0419","","","0.0828","0.1002","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513248","14.893","0.015","8.972","0.009","7.742","0.008","90","","90","","90","","1034.5","1.8","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Markey, Sophie J.; Lewis, William; Moody, Christopher J.","A New Route to α-Carbolines Based on 6π-Electrocyclization of Indole-3-alkenyl Oximes.","Organic letters","2013","15","24","6306","6308","10.1021/ol403191k","","","0.71073","MoKα","","0.0832","0.0658","","","0.1673","0.1898","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513249","16.051","0.003","4.7507","0.0006","15.792","0.003","90","","119.12","0.02","90","","1052","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Markey, Sophie J.; Lewis, William; Moody, Christopher J.","A New Route to α-Carbolines Based on 6π-Electrocyclization of Indole-3-alkenyl Oximes.","Organic letters","2013","15","24","6306","6308","10.1021/ol403191k","","","1.5418","CuKα","","0.0443","0.039","","","0.1024","0.1074","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513250","9.9779","0.0007","5.7825","0.0003","18.2629","0.0015","90","","101.762","0.008","90","","1031.59","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Markey, Sophie J.; Lewis, William; Moody, Christopher J.","A New Route to α-Carbolines Based on 6π-Electrocyclization of Indole-3-alkenyl Oximes.","Organic letters","2013","15","24","6306","6308","10.1021/ol403191k","","","1.5418","CuKα","","0.0382","0.0358","","","0.0872","0.089","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513339","8.441","0.002","10.983","0.003","13.892","0.004","90.769","0.004","90.334","0.004","94.472","0.004","1283.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","12263b","","","- C33 H28 N2 O4 -","- C33 H28 N2 O4 -","- C66 H56 N4 O8 -","2","1","","Niu, Dawen; Hoye, Thomas R.","The aromatic ene reaction","Nature Chemistry","2013","6","1","34","","10.1038/nchem.1797","","","0.71073","MoKα","","0.1348","0.0607","","","0.1152","0.1469","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513340","6.0514","0.0001","30.4883","0.0005","9.9339","0.0002","90","","94.478","0.0007","90","","1827.18","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Thiosemicarbazone","","","- C18 H19 N3 O S2 -","- C18 H19 N3 O S2 -","- C72 H76 N12 O4 S8 -","4","2","","Kate, Anup N.; Kumbhar, Anupa A.; Khan, Ayesha A.; Joshi, Pranaya V.; Puranik, Vedavati G.","Monitoring Cellular Uptake and Cytotoxicity of Copper(II) Complex Using a Fluorescent Anthracene Thiosemicarbazone Ligand.","Bioconjugate chemistry","2013","25","1","102","","10.1021/bc400385d","","","0.71073","MoKα","","0.054","0.0477","","","0.1235","0.1289","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513346","9.3295","0.0016","21.719","0.004","17.834","0.003","90","","98.47","0.002","90","","3574.2","1.1","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 Cl2 N4 -","- C47 H32 Cl2 N4 -","- C188 H128 Cl8 N16 -","4","1","","Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro","Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers.","The journal of physical chemistry. A","2013","118","1","134","","10.1021/jp411190d","","","0.71073","MoKα","","0.0616","0.0476","","","0.1179","0.1263","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513347","9.512","0.006","11.533","0.007","16.99","0.01","96.062","0.006","94.541","0.006","104.431","0.006","1784.1","1.9","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H33 N5 -","- C48 H33 N5 -","- C96 H66 N10 -","2","1","","Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro","Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers.","The journal of physical chemistry. A","2013","118","1","134","","10.1021/jp411190d","","","0.71073","MoKα","","0.0446","0.0351","","","0.0868","0.092","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513348","10.145","0.008","25.68","0.02","12.867","0.01","90","","94.357","0.009","90","","3342","5","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 N4 -","- C46 H30 N4 -","- C184 H120 N16 -","4","1","","Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro","Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers.","The journal of physical chemistry. A","2013","118","1","134","","10.1021/jp411190d","","","0.71073","MoKα","","0.0651","0.0473","","","0.1188","0.1324","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513349","9.72","0.004","11.606","0.005","15.241","0.006","82.64","0.005","87.985","0.005","75.216","0.005","1648.7","1.2","183","","183","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H30 N4 -","- C46 H30 N4 -","- C92 H60 N8 -","2","1","","Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro","Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers.","The journal of physical chemistry. A","2013","118","1","134","","10.1021/jp411190d","","","0.71073","MoKα","","0.079","0.0508","","","0.1239","0.1403","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513895","9.229","0.005","13.79","0.011","14.984","0.009","86.64","0.05","72.5","0.04","88.62","0.05","1816","2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C34.5 H45 Cl N8 O4 Tb -","- C34.5 H45 Cl N8 O4 Tb -","- C69 H90 Cl2 N16 O8 Tb2 -","2","1","","Gusev, Alexey N.; Hasegawa, Miki; Shimizu, Tomohito; Fukawa, Tomonori; Sakurai, Shoya; Nishchymenko, Galyna A.; Shul'gin, Victor F.; Meshkova, Svetlana B.; Linert, Wolfgang","Synthesis, structure and luminescence studies of Eu(III), Tb(III), Sm(III), Dy(III) cationic complexes with acetylacetone and bis(5-(pyridine-2-yl)-1,2,4-triazol-3-yl)propane","Inorganica Chimica Acta","2013","406","","279","284","10.1016/j.ica.2013.04.006","","","0.71075","MoKα","","","0.0433","","","","0.1074","","","","","","1.119","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513896","19.894","0.003","19.894","0.003","13.562","0.002","90","","90","","90","","5367.4","1.4","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C26 H28 Cu F2 N4 O2 S2 -","- C26 H28 Cu F2 N4 O2 S2 -","- C208 H224 Cu8 F16 N32 O16 S16 -","8","0.5","","Liu, Huanhuan; Yang, Wen; Zhou, Weiqun; Xu, Yunlong; Xie, Juan; Li, Mengying","Crystal structures and antimicrobial activities of copper(II) complexes of fluorine-containing thioureido ligands","Inorganica Chimica Acta","2013","405","","387","394","10.1016/j.ica.2013.06.029","","","0.7107","MoKα","","0.1062","0.0764","","","0.1448","0.1601","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513897","8.346","0.008","8.575","0.007","10.271","0.009","100.237","0.007","107.28","0.03","106.761","0.013","643.6","1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 Cu F2 N4 O2 S2 -","- C26 H28 Cu F2 N4 O2 S2 -","- C26 H28 Cu F2 N4 O2 S2 -","1","0.5","","Liu, Huanhuan; Yang, Wen; Zhou, Weiqun; Xu, Yunlong; Xie, Juan; Li, Mengying","Crystal structures and antimicrobial activities of copper(II) complexes of fluorine-containing thioureido ligands","Inorganica Chimica Acta","2013","405","","387","394","10.1016/j.ica.2013.06.029","","","0.7107","MoKα","","0.1375","0.0698","","","0.1194","0.1606","","","","","","0.917","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513898","10.575","0.003","10.434","0.003","16.122","0.004","90","","93.338","0.006","90","","1775.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cu2 F4 N2 O10 -","- C34 H30 Cu2 F4 N2 O10 -","- C68 H60 Cu4 F8 N4 O20 -","2","0.5","","Liu, Huanhuan; Yang, Wen; Zhou, Weiqun; Xu, Yunlong; Xie, Juan; Li, Mengying","Crystal structures and antimicrobial activities of copper(II) complexes of fluorine-containing thioureido ligands","Inorganica Chimica Acta","2013","405","","387","394","10.1016/j.ica.2013.06.029","","","0.7107","MoKα","","0.0995","0.0708","","","0.1356","0.1515","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514235","10.3043","0.0002","10.3043","0.0002","25.7688","0.0005","90","","90","","120","","2369.53","0.08","","","","","","","","","","","","2","R -3 :H","-R 3","148","","Dimanganese Trioxide - Zeta Phase, Hp Ht","","- Mn2 O3 -","- Mn2 O3 -","- Mn96 O144 -","48","2.66667","","Ovsyannikov, Sergey V.; Abakumov, Artem M.; Tsirlin, Alexander A.; Schnelle, Walter; Egoavil, Ricardo; Verbeeck, Jo; Van Tendeloo, Gustaaf; Glazyrin, Konstantin V.; Hanfland, Michael; Dubrovinsky, Leonid","Perovskite-like Mn2 O3: a path to new manganites","Angewandte Chemie. International Edition","2013","52","5","1494","1498","10.1002/anie.201208553","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1514367","13.066","0.005","9.757","0.003","29.525","0.011","90","","116","0.017","90","","3383","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H38 Cl2 N4 O3 -","- C37 H38 Cl2 N4 O3 -","- C148 H152 Cl8 N16 O12 -","4","1","","Men, Guangwen; Zhang, Guirong; Liang, Chunshuang; Liu, Huiling; Yang, Bing; Pan, Yuyu; Wang, Zhenyu; Jiang, Shimei","A dual channel optical detector for trace water chemodosimetry and imaging of live cells.","The Analyst","2013","138","10","2847","2857","10.1039/c3an36887d","","","0.71073","MoKα","","0.1","0.0632","","","0.1742","0.1917","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514368","16.849","0.0006","17.6362","0.0006","15.7254","0.0006","90","","114.22","0.002","90","","4261.5","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H48 O6 Si2 -","- C51 H48 O6 Si2 -","- C204 H192 O24 Si8 -","4","1","","Ghosh, Kumaresh; Kar, Debasis; Fröhlich, Roland; Chattopadhyay, Asoke P.; Samadder, Asmita; Khuda-Bukhsh, Anisur Rahman","O-tert-butyldiphenylsilyl coumarin and dicoumarol: a case toward selective sensing of F- ions in organic and aqueous environments.","The Analyst","2013","138","10","3038","3045","10.1039/c3an00279a","","","1.54178","CuKα","","0.0615","0.0476","","","0.1182","0.1279","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514369","19.9067","0.0008","20.3667","0.0006","18.4436","0.0007","90","","117.057","0.005","90","","6659.3","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H46 Cl N16 O14 Ru2 -","- C62 H46 Cl N16 O14 Ru2 -","- C248 H184 Cl4 N64 O56 Ru8 -","4","0.5","","Kumar, Anup; Singh, Alok K.; Gupta, Tarkeshwar","A stimuli-responsive ""smart probe"" for selective monitoring of multiple-cations via differential analyses.","The Analyst","2013","138","12","3356","3359","10.1039/c3an00087g","","","0.71073","MoKα","","0.0973","0.0757","","","0.2285","0.2455","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514370","19.681","0.002","8.3397","0.0009","21.489","0.002","90","","110.841","0.002","90","","3296.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 N3 S2 -","- C39 H31 N3 S2 -","- C156 H124 N12 S8 -","4","1","","Jin, Jiayu; Zhang, Junji; Zou, Lei; Tian, He","Near-infrared photochromic behavior in a donor-acceptor type diarylethene modulated by the cyanide anion.","The Analyst","2013","138","6","1641","1644","10.1039/c3an36388k","","","0.71073","MoKα","","0.0872","0.0542","","","0.1393","0.1647","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514371","24.443","0.004","8.3483","0.0015","12.521","0.002","90","","99.817","0.003","90","","2517.6","0.7","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 N3 S2 -","- C29 H27 N3 S2 -","- C116 H108 N12 S8 -","4","1","","Jin, Jiayu; Zhang, Junji; Zou, Lei; Tian, He","Near-infrared photochromic behavior in a donor-acceptor type diarylethene modulated by the cyanide anion.","The Analyst","2013","138","6","1641","1644","10.1039/c3an36388k","","","0.71073","MoKα","","0.0936","0.0637","","","0.1568","0.1753","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514372","10.5132","0.0016","10.5783","0.0016","19.315","0.002","90","","97.647","0.009","90","","2129","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 B F2 N2 O -","- C23 H27 B F2 N2 O -","- C92 H108 B4 F8 N8 O4 -","4","1","","Hecht, Mandy; Kraus, Werner; Rurack, Knut","A highly fluorescent pH sensing membrane for the alkaline pH range incorporating a BODIPY dye.","The Analyst","2013","138","1","325","332","10.1039/c2an35860c","","","0.71073","MoKα","","0.0996","0.0531","","","0.131","0.1484","","","","","","0.855","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514373","10.2059","0.0015","12.2904","0.0018","16.59","0.002","88.423","0.002","79.612","0.002","67.58","0.002","1890.2","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H42 Cl F6 N3 O4 P2 Ru -","- C39 H42 Cl F6 N3 O4 P2 Ru -","- C78 H84 Cl2 F12 N6 O8 P4 Ru2 -","2","1","","Sharma, Hemant; Guadalupe, Hernández J.; Narayanan, Jayanthi; Hofeld, Herbert; Pandiyan, Thangarasu; Singh, Narinder","Pyridyl- and benzimidazole-based ruthenium(iii) complex for selective chloride recognition through fluorescence spectroscopy","Analytical Methods","2013","5","16","3880","","10.1039/c3ay40434j","","","0.71073","MoKα","","0.0523","0.0502","","","0.1298","0.133","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514378","15.6555","0.0015","18.868","0.0018","18.2423","0.0018","90","","98.761","0.001","90","","5325.7","0.9","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H42 B F22 N P2 Pt -","- C55 H42 B F22 N P2 Pt -","- C220 H168 B4 F88 N4 P8 Pt4 -","4","1","","DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species","Chemical Science","2013","4","2","642","","10.1039/c2sc21385k","","","0.71073","MoKα","","0.0854","0.0758","","","0.1697","0.1738","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514379","15.495","0.002","18.673","0.003","22.444","0.002","90","","125.955","0.007","90","","5256.7","1.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H39 B F23 N P2 Pt -","- C54 H39 B F23 N P2 Pt -","- C216 H156 B4 F92 N4 P8 Pt4 -","4","1","","DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species","Chemical Science","2013","4","2","642","","10.1039/c2sc21385k","","","0.71073","MoKα","","0.0376","0.0285","","","0.064","0.067","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514380","19.446","0.02","15.82","0.016","15.256","0.015","90","","107.781","0.014","90","","4469","8","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 B11 Cl12 F2 N P2 Pt -","- C25 H35 B11 Cl12 F2 N P2 Pt -","- C100 H140 B44 Cl48 F8 N4 P8 Pt4 -","4","1","","DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.","Frustrated Lewis pair-like splitting of aromatic C‒H bonds and abstraction of halogen atoms by a cationic [(FPNP)Pt]+ species","Chemical Science","2013","4","2","642","","10.1039/c2sc21385k","","","0.71073","MoKα","","0.0941","0.0556","","","0.1086","0.1198","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514381","11.9663","0.0007","12.5933","0.0008","19.2781","0.0012","76.089","0.0008","85.2516","0.0009","62.9902","0.0007","2511.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 B F2 N5 -","- C30 H22 B F2 N5 -","- C120 H88 B4 F8 N20 -","4","2","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.1209","0.0562","","","0.1089","0.133","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514382","33.428","0.002","11.5134","0.0007","13.9925","0.0009","90","","111.419","0.003","90","","5013.4","0.5","103","0.1","103","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H24 B Cl F2 N4 -","- C30.5 H24 B Cl F2 N4 -","- C244 H192 B8 Cl8 F16 N32 -","8","1","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.1025","0.0522","","","0.1127","0.1374","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514383","12.0332","0.0008","14.8026","0.001","15.5572","0.001","89.0111","0.0008","83.545","0.0008","72.8575","0.0008","2630.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 B F2 N4 -","- C32 H27 B F2 N4 -","- C128 H108 B4 F8 N16 -","4","2","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.0611","0.0432","","","0.1106","0.1217","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514384","10.7533","0.0007","13.3999","0.0008","24.5025","0.0015","91.7881","0.0008","95.0164","0.0008","100.258","0.0008","3457","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H43 B F2 N4 -","- C40 H43 B F2 N4 -","- C160 H172 B4 F8 N16 -","4","2","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.0957","0.0597","","","0.1359","0.1575","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514385","15.7903","0.0006","11.9086","0.0005","15.8933","0.0007","90","","94.469","0.0005","90","","2979.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H35 B F2 N4 -","- C36 H35 B F2 N4 -","- C144 H140 B4 F8 N16 -","4","1","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","0.71073","MoKα","","0.0637","0.0404","","","0.0938","0.1059","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514386","14.0731","0.0002","11.5359","0.0002","31.2056","0.0004","90","","93.7226","0.0005","90","","5055.41","0.13","173","2","173","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28.5 H18 B Cl3 F2 N4 -","- C28.5 H18 B Cl3 F2 N4 -","- C228 H144 B8 Cl24 F16 N32 -","8","1","","Nawn, Graeme; Oakley, Simon R.; Majewski, Marek B.; McDonald, Robert; Patrick, Brian O.; Hicks, Robin G.","Redox-active, near-infrared dyes based on ‘Nindigo’ (indigo-N,N′-diarylimine) boron chelate complexes","Chemical Science","2013","4","2","612","","10.1039/c2sc21307a","","","1.54178","CuKα","","0.0355","0.0335","","","0.0989","0.1009","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514387","14.2376","0.0005","14.5557","0.0005","16.0245","0.0006","112.035","0.0004","96.1392","0.0004","107.982","0.0004","2832.94","0.18","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H68 Ca Cl2 F3 Fe N4 O15 S4 -","- C45 H68 Ca Cl2 F3 Fe N4 O15 S4 -","- C90 H136 Ca2 Cl4 F6 Fe2 N8 O30 S8 -","2","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.052","0.0443","","","0.1145","0.1201","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514388","8.7949","0.0003","28.7099","0.0011","22.444","0.0009","90","","98.6131","0.0005","90","","5603.2","0.4","88","2","88","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 Cl2 F3 Fe N4 O15 S4 Sr -","- C45 H68 Cl2 F3 Fe N4 O15 S4 Sr -","- C180 H272 Cl8 F12 Fe4 N16 O60 S16 Sr4 -","4","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.0578","0.0472","","","0.1234","0.13","","","","","","1.035","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514389","12.9433","0.0006","14.8169","0.0007","18.2751","0.0008","110.991","0.0005","91.9057","0.0005","105.868","0.0005","3113.7","0.2","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H78 Ba F3 Fe N4 O17 S4 -","- C50 H78 Ba F3 Fe N4 O17 S4 -","- C100 H156 Ba2 F6 Fe2 N8 O34 S8 -","2","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.0444","0.037","","","0.0998","0.1053","","","","","","1.031","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514390","13.9061","0.0007","15.1055","0.0008","16.262","0.0009","68.7445","0.0006","75.3429","0.0006","74.3805","0.0006","3019.7","0.3","143","2","143","2","","","","","","","","9","P -1","-P 1","2","","","","- C46 H70 Cl4 F3 Mn N4 O15 S4 Sr -","- C46 H70 Cl4 F3 Mn N4 O15 S4 Sr -","- C92 H140 Cl8 F6 Mn2 N8 O30 S8 Sr2 -","2","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.0585","0.053","","","0.1392","0.1434","","","","","","1.039","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514391","14.3885","0.0005","14.7196","0.0005","15.8403","0.0006","112.801","0.0004","97.8526","0.0004","106.385","0.0004","2850.07","0.18","198","2","198","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H68 Ca Cl2 F3 Ga N4 O15 S4 -","- C45 H68 Ca Cl2 F3 Ga N4 O15 S4 -","- C90 H136 Ca2 Cl4 F6 Ga2 N8 O30 S8 -","2","1","","Park, Young Jun; Cook, Sarah A.; Sickerman, Nathaniel S.; Sano, Yohei; Ziller, Joseph W.; Borovik, A. S.","Heterobimetallic Complexes with M(III)-(μ-OH)-M(II) Cores (M(III) = Fe, Mn, Ga; M(II) = Ca, Sr, and Ba): Structural, Kinetic, and Redox Properties.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","717","726","10.1039/C2SC21400H","","","0.71073","MoKα","","0.0516","0.0469","","","0.1264","0.1304","","","","","","1.059","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514392","11.4992","0.0007","24.3436","0.0015","15.0944","0.001","90","","112.268","0.001","90","","3910.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H56 Cl N O5 -","- C42 H56 Cl N O5 -","- C168 H224 Cl4 N4 O20 -","4","1","","Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D.","Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams","Chemical Science","2013","4","2","622","","10.1039/c2sc21240d","","x-ray","0.71073","MoKα","","0.0931","0.0649","","","0.176","0.1983","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514393","5.1885","0.001","14.53","0.003","19.501","0.004","90","","90","","90","","1470.2","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 Cl N O -","- C16 H20 Cl N O -","- C64 H80 Cl4 N4 O4 -","4","1","","Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D.","Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams","Chemical Science","2013","4","2","622","","10.1039/c2sc21240d","","x-ray","0.71073","MoKα","","0.0309","0.0273","","","0.0629","0.0648","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514394","7.8652","0.0018","13.56","0.003","19.207","0.004","90","","90","","90","","2048.5","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 Cl N O4 -","- C24 H18 Cl N O4 -","- C96 H72 Cl4 N4 O16 -","4","1","","Huang, Li; Zhao, Wenjun; Staples, Richard J.; Wulff, William D.","Multifaceted interception of 2-chloro-2-oxoacetic anhydrides: a catalytic asymmetric synthesis of β-lactams","Chemical Science","2013","4","2","622","","10.1039/c2sc21240d","","x-ray","0.71073","MoKα","","0.0357","0.0285","","","0.0599","0.0636","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514395","16.49","0.001","16.49","0.001","14.05","0.001","90","","90","","120","","3308.6","0.4","100","2","100","2","","","","","","","synthesis as described","5","P -3 1 c","-P 3 2c","163","","","","- C51 H33 N7 O20 Zn3 -","- C51.04 H24 N6.99 O19.98 Zn3 -","- C102.08 H48 N13.98 O39.96 Zn6 -","2","0.166667","","Park, Hye Jeong; Suh, Myunghyun Paik","Enhanced isosteric heat, selectivity, and uptake capacity of CO2 adsorption in a metal-organic framework by impregnated metal ions","Chemical Science","2013","4","2","685","","10.1039/c2sc21253f","","x-ray","0.8","synchrotron","","0.1193","0.1131","","","0.3384","0.3453","","","","","","1.58","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514396","19.1854","0.0003","19.6691","0.0004","24.6274","0.0004","90","","108.482","0.0009","90","","8814.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H90 N2 Pt -","- C84 H90 N2 Pt -","- C336 H360 N8 Pt4 -","4","1","","Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood","Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways","Chemical Science","2013","4","2","770","","10.1039/c2sc21917d","","","0.71073","MoKα","","0.085","0.0616","","","0.1495","0.1603","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514397","12.0941","0.0003","15.39","0.0004","25.2421","0.0005","101.259","0.0009","98.6734","0.001","111.101","0.0007","4171.5","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C102.5 H113 Cl N2 Pt -","- C78 H85 Cl N2 Pt -","- C156 H170 Cl2 N4 Pt2 -","2","1","","Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood","Arene C‒H bond activation across Pt(ii)‒OH bonds: catalyzed vs. uncatalyzed pathways","Chemical Science","2013","4","2","770","","10.1039/c2sc21917d","","","0.71073","MoKα","","0.041","0.0366","","","0.094","0.097","","","","","","1.075","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514398","14.2953","0.0005","18.3037","0.0007","20.8565","0.0008","75.534","0.002","71.127","0.002","74.087","0.002","4887.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H81 Cu3 N16 O3 Y -","- C75 H81 Cu3 N16 O3 Y -","- C150 H162 Cu6 N32 O6 Y2 -","2","1","","Lionetti, Davide; Day, Michael W.; Agapie, Theodor","Metal-Templated Ligand Architectures for Trinuclear Chemistry: Tricopper Complexes and Their O2 Reactivity.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","2","785","790","10.1039/C2SC21758A","","","0.71073","MoKα","","0.1002","0.07","","","0.0973","0.0983","","","","","","3.264","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514399","6.0689","0.0006","11.699","0.0013","19.4385","0.0019","90","","98.695","0.011","90","","1364.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tert.-butylglyoxylic acid dimer","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Ley, David; Gerbig, Dennis; Schreiner, Peter R.","Tunneling control of chemical reactions: C‒H insertion versus H-tunneling in tert-butylhydroxycarbene","Chemical Science","2013","4","2","677","","10.1039/c2sc21555a","","","0.71073","MoKα","","0.048","0.0414","","","0.1452","0.1566","","","","","","0.686","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514400","23.5319","0.0008","12.9011","0.0005","16.0719","0.0006","90","","106.846","0.002","90","","4669.8","0.3","143","1","143","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 F40 N4 U -","- C48 F40 N4 U -","- C192 F160 N16 U4 -","4","0.5","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0204","0.0179","","","0.0445","0.0456","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514401","38.651","0.003","12.3736","0.0009","19.957","0.0014","90","","99.992","0.003","90","","9399.7","1.2","143","1","143","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H20 F20 N4 U -","- C48 H20 F20 N4 U -","- C384 H160 F160 N32 U8 -","8","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0307","0.0245","","","0.0652","0.0681","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514402","11.0728","0.0003","11.7379","0.0004","20.3378","0.0006","79.419","0.002","80.189","0.001","84.54","0.002","2554.81","0.14","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H16 F30 N3 O2 U -","- C44 H16 F30 N3 O2 U -","- C88 H32 F60 N6 O4 U2 -","2","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0213","0.0184","","","0.0457","0.0466","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514403","13.4814","0.0008","16.1925","0.001","19.0979","0.0011","76.559","0.003","87.948","0.003","84.674","0.003","4036.9","0.4","143","1","143","1","","","","","","","","7","P -1","-P 1","2","","","","- C88.5 H66 F18 N3 O2 P2 U -","- C88.5 H66 F18 N3 O2 P2 U -","- C177 H132 F36 N6 O4 P4 U2 -","2","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0964","0.0588","","","0.1441","0.167","","","","","","1.096","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514404","10.0174","0.0007","15.9406","0.0012","7.9776","0.0006","90","","90","","90","","1273.89","0.16","143","1","143","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H9 F6 N -","- C14 H9 F6 N -","- C56 H36 F24 N4 -","4","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0263","0.0246","","","0.0642","0.0655","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514405","10.8866","0.0007","11.9211","0.0007","12.8559","0.0008","111.365","0.003","100.052","0.003","109.196","0.003","1382.79","0.16","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 F6 K N O3 -","- C26 H32 F6 K N O3 -","- C52 H64 F12 K2 N2 O6 -","2","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.061","0.0517","","","0.1458","0.1545","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514406","8.4008","0.0005","10.5747","0.0006","11.1333","0.0007","77.131","0.003","69.962","0.003","75.663","0.002","889.84","0.09","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 F10 K N O -","- C16 H10 F10 K N O -","- C32 H20 F20 K2 N2 O2 -","2","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.0285","0.0258","","","0.0722","0.0747","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514407","24.2328","0.0016","12.7508","0.0008","24.1585","0.0015","90","","109.123","0.003","90","","7052.8","0.8","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H42 F25 K N6 U -","- C66 H42 F25 K N6 U -","- C264 H168 F100 K4 N24 U4 -","4","1","","Yin, Haolin; Lewis, Andrew J.; Williams, Ursula J.; Carroll, Patrick J.; Schelter, Eric J.","Fluorinated diarylamide complexes of uranium(iii, iv) incorporating ancillary fluorine-to-uranium dative interactions","Chemical Science","2013","4","2","798","","10.1039/c2sc21458j","","","0.71073","MoKα","","0.055","0.0473","","","0.102","0.1046","","","","","","1.14","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514408","14.0368","0.0015","15.1189","0.0017","15.1242","0.0017","85.358","0.006","85.555","0.005","86.35","0.006","3184.2","0.6","230","2","230","2","","","","","","","","6","P -1","-P 1","2","BMOF-1-dcppy-Ir","","","- C34 H18 Ir0.11 N4 O8 Zn2 -","- C34 H18 Ir0.11 N4 O8 Zn2 -","- C68 H36 Ir0.22 N8 O16 Zn4 -","2","1","","Dau, Phuong V.; Kim, Min; Cohen, Seth M.","Site-selective cyclometalation of a metal‒organic framework","Chemical Science","2013","4","2","601","","10.1039/c2sc21289g","","","1.54178","CuKα","","0.1356","0.1074","","","0.3089","0.3298","","","","","","1.337","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514409","15.093","0.006","15.093","0.006","9.62","0.004","90","","90","","90","","2191.4","1.5","250","2","250","2","","","","","","","","6","P 4/m m m","-P 4 2","123","DMOF-1-dcppy(Rh)","","","- C26 H8 N10 O8 Rh Zn2 -","- C26.08 H8 N10 O8 Rh0.96 Zn2 -","- C26.08 H8 N10 O8 Rh0.96 Zn2 -","1","0.0625","","Dau, Phuong V.; Kim, Min; Cohen, Seth M.","Site-selective cyclometalation of a metal‒organic framework","Chemical Science","2013","4","2","601","","10.1039/c2sc21289g","","","0.71073","MoKα","","0.0998","0.0908","","","0.2529","0.262","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514410","14.0869","0.0013","15.1333","0.0017","15.1402","0.0015","86.517","0.007","87.286","0.005","86.896","0.005","3213.8","0.6","230","2","230","2","","","","","","","","6","P -1","-P 1","2","BMOF-1-dcppy(Rh)","","","- C36 H21 N4 O8 Rh0.15 Zn2 -","- C36 H21 N4 O8 Rh0.08 Zn2 -","- C72 H42 N8 O16 Rh0.16 Zn4 -","2","1","","Dau, Phuong V.; Kim, Min; Cohen, Seth M.","Site-selective cyclometalation of a metal‒organic framework","Chemical Science","2013","4","2","601","","10.1039/c2sc21289g","","","1.54178","CuKα","","0.0599","0.0518","","","0.1517","0.1572","","","","","","1.085","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514411","15.093","0.006","15.093","0.006","9.62","0.004","90","","90","","90","","2191.4","1.5","250","2","250","2","","","","","","","","6","P 4/m m m","-P 4 2","123","DMOF-1-dcppy(Ir)","","","- C24 H8 Ir0.29 N6 O8 Zn2 -","- C24 H8 Ir0.28 N6 O8 Zn2 -","- C24 H8 Ir0.28 N6 O8 Zn2 -","1","0.0625","","Dau, Phuong V.; Kim, Min; Cohen, Seth M.","Site-selective cyclometalation of a metal‒organic framework","Chemical Science","2013","4","2","601","","10.1039/c2sc21289g","","","0.71073","MoKα","","0.1677","0.1567","","","0.3555","0.3458","","","","","","1.25","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514412","11.2823","0.0003","16.8988","0.0004","22.9869","0.0006","81.236","0.002","79.739","0.002","81.615","0.002","4230.32","0.19","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 P Si -","- C25 H23 P Si -","- C200 H184 P8 Si8 -","8","4","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide","Chemical Science","2013","4","2","691","","10.1039/c2sc21123h","","","0.71073","MoKα","","0.0824","0.0539","","","0.1272","0.139","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514413","18.8666","0.0004","22.2888","0.0005","25.4992","0.0006","90","","100.652","0.002","90","","10538","0.4","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C50 H70 Li2 N2 P2 Si4 -","- C50 H70 Li2 N2 P2 Si4 -","- C400 H560 Li16 N16 P16 Si32 -","8","2","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide","Chemical Science","2013","4","2","691","","10.1039/c2sc21123h","","","0.71073","MoKα","","0.0773","0.0596","","","0.1549","0.1685","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514414","30.6079","0.0011","12.39475","0.00017","22.0579","0.0008","90","","128.948","0.006","90","","6508.1","0.6","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H86 Ca N2 P2 Si4 -","- C64 H86 Ca N2 P2 Si4 -","- C256 H344 Ca4 N8 P8 Si16 -","4","0.5","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide","Chemical Science","2013","4","2","691","","10.1039/c2sc21123h","","","0.71073","MoKα","","0.065","0.0458","","","0.1333","0.1446","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514415","11.1459","0.0003","20.7732","0.0004","16.6276","0.0003","90","","100.782","0.0019","90","","3781.92","0.14","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 N2 P Si4 Y -","- C31 H52 N2 P Si4 Y -","- C124 H208 N8 P4 Si16 Y4 -","4","1","","Nako, Adi E.; White, Andrew J. P.; Crimmin, Mark R.","A metal‒amide dependent, catalytic C‒H functionalisation of triphenylphosphonium methylide","Chemical Science","2013","4","2","691","","10.1039/c2sc21123h","","","0.71073","MoKα","","0.0829","0.0406","","","0.0841","0.0923","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514416","11.569","0.0013","12.623","0.0015","20.413","0.003","97.57","0.011","102.49","0.012","113.57","0.008","2587.1","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C159 H60 I2 N2 O20 -","- C159 H60 I2 N2 O20 -","- C159 H60 I2 N2 O20 -","1","0.5","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.1003","0.09","","","0.1444","0.1491","","","","","","1.307","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514417","14.3061","0.0015","14.457","0.002","15.4664","0.0019","76.592","0.015","66.58","0.013","61.681","0.01","2580.3","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H17 Cl6 N O8 -","- C71 H17 Cl6 N O8 -","- C142 H34 Cl12 N2 O16 -","2","1","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.0642","0.0506","","","0.1379","0.1434","","","","","","1.092","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514418","18.742","0.004","13.442","0.003","18.553","0.004","90","","114.4","0.003","90","","4256.6","1.6","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C65 H5 N O5 -","- C65 H5 N O5 -","- C260 H20 N4 O20 -","4","1","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.0789","0.0621","","","0.1519","0.1607","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514419","12.754","0.003","12.843","0.003","14.63","0.003","78.32","0.03","82.27","0.03","68.22","0.03","2174.6","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H6 Cl6 I N O5 -","- C67 H6 Cl6 I N O5 -","- C134 H12 Cl12 I2 N2 O10 -","2","1","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.2178","0.1914","","","0.4383","0.4514","","","","","","2.223","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514420","19.163","0.006","13.468","0.004","18.553","0.007","90","","114.32","0.004","90","","4363","3","173","2","173","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C68 H9 N O7 -","- C68 H9 N O7 -","- C272 H36 N4 O28 -","4","1","","Yu, Yuming; Shi, Lijun; Yang, Dazhi; Gan, Liangbing","Molecular containers with a dynamic orifice: open-cage fullerenes capable of encapsulating either H2O or H2 under mild conditions","Chemical Science","2013","4","2","814","","10.1039/c2sc21760k","","","0.71073","MoKα","","0.184","0.119","","","0.2952","0.3354","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514421","11.3252","0.0004","14.7748","0.0005","24.3057","0.0008","90","","90.686","0.002","90","","4066.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H114 N8 O8 S4 Yb2 -","- C80 H114 N8 O8 S4 Yb2 -","- C160 H228 N16 O16 S8 Yb4 -","2","0.5","","Kwong, Wai-Lun; Wai-Yin Sun, Raymond; Lok, Chun-Nam; Siu, Fung-Ming; Wong, Suk-Yu; Low, Kam-Hung; Che, Chi-Ming","An ytterbium(iii) porphyrin induces endoplasmic reticulum stress and apoptosis in cancer cells: cytotoxicity and transcriptomics studies","Chemical Science","2013","4","2","747","","10.1039/c2sc21541a","","","1.54178","CuKα","","0.0573","0.0495","","","0.1125","0.1183","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514422","15.4085","0.0003","20.2602","0.0003","21.0264","0.0004","90","","102.87","0.002","90","","6399.1","0.2","123.01","0.11","123.01","0.11","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Co K O4 -","- C36 H40 Co K O4 -","- C288 H320 Co8 K8 O32 -","8","2","","Gülak, Samet; Stepanek, Ondrej; Malberg, Jennifer; Rad, Babak Rezaei; Kotora, Martin; Wolf, Robert; Jacobi von Wangelin, Axel","Highly chemoselective cobalt-catalyzed biaryl coupling reactions","Chemical Science","2013","4","2","776","","10.1039/c2sc21667a","","","1.5418","CuKα","","0.0956","0.0631","","","0.1601","0.18","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514423","15.3062","0.0001","47.6192","0.0003","15.6327","0.0001","90","","108.576","0.0003","90","","10800.6","0.12","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C136 Cl16 Dy2 N8 O74 Si2 W20 -","- C136 Cl16 Dy2 N8 O74 Si2 W20 -","- C272 Cl32 Dy4 N16 O148 Si4 W40 -","2","0.5","","Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka","Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates","Chemical Science","2013","4","2","596","","10.1039/c2sc21619a","","","0.71069","MoKY=a","","0.0518","0.0493","","","0.116","0.1177","","","","","","1.141","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514424","15.2981","0.0001","47.7123","0.0004","15.6288","0.0001","90","","108.609","0.0005","90","","10811.2","0.14","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C136 Cl16 Gd2 N8 O74 Si2 W20 -","- C136 Cl16 Gd2 N8 O74 Si2 W20 -","- C272 Cl32 Gd4 N16 O148 Si4 W40 -","2","0.5","","Suzuki, Kosuke; Sato, Rinta; Mizuno, Noritaka","Reversible switching of single-molecule magnet behaviors by transformation of dinuclear dysprosium cores in polyoxometalates","Chemical Science","2013","4","2","596","","10.1039/c2sc21619a","","","0.71069","MoKY=a","","0.0702","0.0659","","","0.1787","0.1867","","","","","","1.179","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514425","12.2769","0.0004","12.2829","0.0005","22.2697","0.0008","90","","91.868","0.002","90","","3356.4","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3 in manuscript","","","- C32 H41 Au Cl2 N2 O2 -","- C32 H41 Au Cl2 N2 O2 -","- C128 H164 Au4 Cl8 N8 O8 -","4","1","","Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K.","Gold‒allenylidenes ‒ an experimental and theoretical study","Chemical Science","2013","4","4","1552","","10.1039/c3sc22227f","","","0.71073","MoKα","","0.0453","0.0282","","","0.0629","0.0701","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514426","10.2357","0.0003","12.3159","0.0003","28.5345","0.0007","90","","96.224","0.002","90","","3575.91","0.16","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4 in manuscript","","","- C35 H46 Au Cl2 N3 O -","- C35 H46 Au Cl2 N3 O -","- C140 H184 Au4 Cl8 N12 O4 -","4","1","","Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K.","Gold‒allenylidenes ‒ an experimental and theoretical study","Chemical Science","2013","4","4","1552","","10.1039/c3sc22227f","","","0.71073","MoKα","","0.0451","0.0343","","","0.0755","0.0797","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514427","27.6","0.0018","27.6","0.0018","21.2131","0.0013","90","","90","","90","","16159.3","1.8","200","2","200","2","","","","","","","","8","P 41","P 4w","76","5 in manuscript","","","- C36.25 H47.5 Au Cl F3 N3 O4 S -","- C36.25 H47.5 Au Cl F3 N3 O4 S -","- C580 H760 Au16 Cl16 F48 N48 O64 S16 -","16","4","","Hansmann, Max M.; Rominger, Frank; Hashmi, A. Stephen K.","Gold‒allenylidenes ‒ an experimental and theoretical study","Chemical Science","2013","4","4","1552","","10.1039/c3sc22227f","","","0.71073","MoKα","","0.0874","0.0558","","","0.1305","0.1458","","","","","","1.023","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514428","14.9639","0.0011","16.2074","0.001","16.6904","0.0012","68.074","0.001","65.602","0.002","86.227","0.001","3400.9","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H74 F6 N6 O10 P2 -","- C66 H76 F6 N6 O10 P2 -","- C132 H152 F12 N12 O20 P4 -","2","1","","Liu, Li; Liu, Yuanyuan; Liu, Pingying; Wu, Jie; Guan, Yangfan; Hu, Xiaoyu; Lin, Chen; Yang, Yang; Sun, Xiaoqiang; Ma, Jing; Wang, Leyong","Phosphine oxide functional group based three-station molecular shuttle","Chemical Science","2013","4","4","1701","","10.1039/c3sc22048f","","","0.71073","MoKα","","0.0837","0.0577","","","0.1132","0.1186","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514429","11.8419","0.0003","6.5568","0.0001","20.7441","0.0004","90","","102.819","0.001","90","","1570.53","0.06","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 Br N O4 -","- C14 H10 Br N O4 -","- C56 H40 Br4 N4 O16 -","4","2","","Lathrop, Stephen P.; Rovis, Tomislav","A photoisomerization-coupled asymmetric Stetter reaction: application to the total synthesis of three diastereomers of (-)-cephalimysin A.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","4","1668","","10.1039/C3SC22292F","","","0.71073","MoKα","","0.075","0.0497","","","0.1177","0.1254","","","","","","0.972","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514430","30.926","0.005","30.926","0.005","45.103","0.007","90","","90","","90","","43137","12","123","2","123","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C66 H111 Cu3 N19 O35 -","- C36 H15 Cu3 N9 O15 -","- C576 H240 Cu48 N144 O240 -","16","1","","Yan, Yong; Suyetin, Mikhail; Bichoutskaia, Elena; Blake, Alexander J.; Allan, David R.; Barnett, Sarah A.; Schröder, Martin","Modulating the packing of [Cu24(isophthalate)24] cuboctahedra in a triazole-containing metal‒organic polyhedral framework","Chemical Science","2013","4","4","1731","","10.1039/c3sc21769h","","","0.6889","Synchrotron","","0.0812","0.0649","","","0.189","0.201","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514431","19.744","0.004","19.587","0.004","32.31","0.007","90","","90","","90","","12495","4","170","2","170","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H44 Br4 N8 O7 -","- C62 H44 Br4 N8 O7 -","- C496 H352 Br32 N64 O56 -","8","1","","Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung","Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions","Chemical Science","2013","4","4","1765","","10.1039/c3sc22201b","","","0.71073","MoKα","","0.1787","0.0895","","","0.2549","0.3053","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514432","22.03","0.004","27.145","0.005","10.285","0.002","90","","116.38","0.03","90","","5510","2","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H48 F24 N8 O2 P4 -","- C46 H48 F24 N8 O2 P4 -","- C184 H192 F96 N32 O8 P16 -","4","0.5","","Song, Na Ri; Moon, Jong Hun; Choi, Jiyoung; Jun, Eun Jin; Kim, Youngmee; Kim, Sung-Jin; Lee, Jin Yong; Yoon, Juyoung","Cyclic benzobisimidazolium derivative for the selective fluorescent recognition of HSO4−via a combination of C‒H hydrogen bonds and charge interactions","Chemical Science","2013","4","4","1765","","10.1039/c3sc22201b","","","0.71073","MoKα","","0.0922","0.0812","","","0.2306","0.243","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514433","17.243","0.003","17.243","0.003","20.157","0.006","90","","90","","90","","5993","2","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bio-MOF-12","","","- C11 H16 Co N6 O3 -","- C11 H16 Co N6 O3 -","- C176 H256 Co16 N96 O48 -","16","1","","Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L.","Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues","Chemical Science","2013","4","4","1746","","10.1039/c3sc22207a","","","0.71073","MoKα","","0.0899","0.0474","","","0.0855","0.0985","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514434","15.7869","0.001","15.7869","0.001","22.328","0.003","90","","90","","90","","5564.7","0.9","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bio-MOF-13","","","- C9 H15 Co N5 O3 -","- C9 H10 Co N5 O3 -","- C144 H160 Co16 N80 O48 -","16","1","","Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L.","Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues","Chemical Science","2013","4","4","1746","","10.1039/c3sc22207a","","","0.71073","MoKα","","0.0687","0.0541","","","0.1677","0.1836","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514435","15.852","0.003","15.852","0.003","22.346","0.008","90","","90","","90","","5615","3","273","2","273","2","","","","","","","","5","I 41/a :2","-I 4ad","88","bio-MOF-14","","","- C10 H14 Co N5 O2.5 -","- C10 H13 Co N5 O2.5 -","- C160 H208 Co16 N80 O40 -","16","1","","Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L.","Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues","Chemical Science","2013","4","4","1746","","10.1039/c3sc22207a","","","0.71073","MoKα","","0.1442","0.0658","","","0.1834","0.2298","","","","","","1.029","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514436","9.1792","0.0004","12.119","0.0004","15.8077","0.0006","85.527","0.003","77.912","0.003","87.404","0.003","1713.51","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H58 Mg N2 O -","- C37 H58 Mg N2 O -","- C74 H116 Mg2 N4 O2 -","2","1","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.71073","MoKα","","0.0998","0.0513","","","0.111","0.1217","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514437","9.0121","0.0002","20.1333","0.0005","19.8758","0.0004","90","","91.504","0.002","90","","3605.09","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H59 Mg N3 -","- C38 H59 Mg N3 -","- C152 H236 Mg4 N12 -","4","1","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.71073","MoKα","","0.0673","0.0478","","","0.1115","0.1216","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514438","32.394","0.006","32.394","0.006","11.017","0.002","90","","90","","120","","10012","3","150","2","150","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C40 H53 Mg N3 O2 -","- C40 H53 Mg N3 O2 -","- C360 H477 Mg9 N27 O18 -","9","0.5","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.6889","synchrotron","","0.0759","0.0751","","","0.1859","0.1877","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514439","13.5757","0.0017","14.4034","0.0018","18.932","0.002","90","","92.2137","0.0013","90","","3699.1","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H104 Mg2 N6 S2 -","- C78 H104 Mg2 N6 S2 -","- C156 H208 Mg4 N12 S4 -","2","0.5","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.6889","synchrotron","","0.091","0.083","","","0.1985","0.2099","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514440","18.964","0.005","12.505","0.003","38.624","0.01","90","","96.385","0.003","90","","9103","4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 Mg N4 O1.25 S2 -","- C48 H60 Mg N4 O1.25 S2 -","- C384 H480 Mg8 N32 O10 S16 -","8","2","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.6889","synchrotron","","0.1026","0.0746","","","0.1793","0.1956","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514441","12.703","0.003","21.654","0.005","13.282","0.003","90","","90.01","0.02","90","","3653.5","1.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C80 H110 Mg2 N8 -","- C80 H110 Mg2 N8 -","- C160 H220 Mg4 N16 -","2","0.5","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.71073","MoKα","","0.2566","0.0995","","","0.1516","0.2343","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514442","14.0179","0.0004","13.5976","0.0003","21.7756","0.0006","90","","96.842","0.003","90","","4121.08","0.19","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H61.5 Mg N4 -","- C42.5 H61.5 Mg N4 -","- C170 H246 Mg4 N16 -","4","1","","Baillie, Sharon E.; Blair, Victoria L.; Bradley, Tyne D.; Clegg, William; Cowan, Jemma; Harrington, Ross W.; Hernán-Gómez, Alberto; Kennedy, Alan R.; Livingstone, Zoe; Hevia, Eva","Isomeric and chemical consequences of the direct magnesiation of 1,3-benzoazoles using β-diketiminate-stabilized magnesium bases","Chemical Science","2013","4","4","1895","","10.1039/c3sc22326d","","","0.71073","MoKα","","0.1027","0.064","","","0.1814","0.1953","","","","","","0.978","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514443","29.36","0.004","29.36","0.004","20.776","0.003","90","","90","","120","","15510","4","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H43 N6 Ni3 O13 -","- C72 H43 N6 Ni3 O13 -","- C432 H258 N36 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0988","0.0691","","","0.1739","0.187","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514444","29.87","0.004","29.87","0.004","12.0337","0.0015","90","","90","","120","","9298","2","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H43 N6 Ni3 O13 -","- C72 H43 N6 Ni3 O13 -","- C432 H258 N36 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1412","0.0873","","","0.171","0.1949","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514445","29.884","0.004","29.884","0.004","11.8868","0.0014","90","","90","","120","","9193","2","93","2","93","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C72 H43 N6 Ni3 O13 -","- C72 H43 N6 Ni3 O13 -","- C432 H258 N36 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0966","0.0786","","","0.183","0.1938","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514446","29.347","0.002","29.347","0.002","21.287","0.0017","90","","90","","120","","15877","2","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C82 H83 N6 Ni3 O23 -","- C82 H83.08 N6 Ni3 O23 -","- C492 H498.48 N36 Ni18 O138 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0863","0.0727","","","0.2059","0.2214","","","","","","1.075","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514447","29.368","0.002","29.368","0.002","20.868","0.0015","90","","90","","120","","15586.9","1.9","119","2","119","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C90 H115 N6 Ni3 O31 -","- C89.98 H114.98 N6 Ni3 O30.98 -","- C539.88 H689.88 N36 Ni18 O185.88 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0871","0.0767","","","0.205","0.2183","","","","","","1.09","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514448","29.05","0.002","29.05","0.002","24.502","0.002","90","","90","","120","","17907","2","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C108 H127 N18 Ni3 O25 -","- C108 H127 N18 Ni3 O25 -","- C648 H762 N108 Ni18 O150 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0976","0.0785","","","0.2197","0.2405","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514449","29.106","0.003","29.106","0.003","23.417","0.002","90","","90","","120","","17180","3","119","2","119","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C108 H127 N18 Ni3 O25 -","- C108 H127 N18 Ni3 O25 -","- C648 H762 N108 Ni18 O150 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1246","0.1087","","","0.2907","0.307","","","","","","1.167","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514450","29.151","0.003","29.151","0.003","23.07","0.002","90","","90","","120","","16978","3","119","2","119","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C108 H127 N18 Ni3 O25 -","- C108 H127 N18 Ni3 O25 -","- C648 H762 N108 Ni18 O150 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1399","0.1056","","","0.2761","0.3069","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514451","28.548","0.004","28.548","0.004","26.592","0.003","90","","90","","120","","18769","4","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C109.5 H80.5 N13.5 Ni3 O13 -","- C109.5 H80.5 N13.5 Ni3 O13 -","- C657 H483 N81 Ni18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.1926","0.0979","","","0.2434","0.2767","","","","","","1.049","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514452","19.4312","0.001","19.4312","0.001","45.631","0.003","90","","90","","120","","14920.7","1.5","295","2","295","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C57 H34 Co3 N3 O13 -","- C57 H34 Co3 N3 O13 -","- C342 H204 Co18 N18 O78 -","6","0.166667","","Wei, Yong-Sheng; Chen, Kai-Jie; Liao, Pei-Qin; Zhu, Bao-Yong; Lin, Rui-Biao; Zhou, Hao-Long; Wang, Bao-Ying; Xue, Wei; Zhang, Jie-Peng; Chen, Xiao-Ming","Turning on the flexibility of isoreticular porous coordination frameworks for drastically tunable framework breathing and thermal expansion","Chemical Science","2013","4","4","1539","","10.1039/c3sc22222e","","","0.71073","MoKα","","0.0491","0.0461","","","0.1377","0.1396","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514453","25.2196","0.0007","11.8584","0.0004","8.5478","0.0003","90","","90","","90","","2556.34","0.14","90","2","90","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C29 H30 O3 Si -","- C29 H30 O3 Si -","- C116 H120 O12 Si4 -","4","1","","Zhao, Jinbo; Liu, Shasha; Marino, Nadia; Clark, Daniel A.","Regio- and stereoselective trans-silylvinylation of internal alkynes catalyzed by RuHCl(CO)(PCy3)2","Chemical Science","2013","4","4","1547","","10.1039/c3sc22002h","","","1.54178","CuKα","","0.0447","0.0381","","","0.0917","0.0955","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514454","8.8714","0.0005","11.147","0.0006","14.5317","0.0008","102.922","0.003","93.887","0.002","91.677","0.002","1395.96","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 Gd N4 O10 -","- C18 H28 Cl3 Gd N4 O10 -","- C36 H56 Cl6 Gd2 N8 O20 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.0271","0.0232","","","0.0499","0.0516","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514455","13.0075","0.0006","14.8207","0.0007","13.9166","0.0006","90","","102.653","0.002","90","","2617.7","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Er N7 O14 -","- C19 H24 Er N7 O14 -","- C76 H96 Er4 N28 O56 -","4","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.0745","0.0419","","","0.0745","0.0848","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514456","7.4349","0.0015","10.63","0.002","11.657","0.002","68.02","0.03","88.31","0.03","87.44","0.03","853.4","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H12 N5 O12 Y -","- C9 H12 N5 O12 Y -","- C18 H24 N10 O24 Y2 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.1025","0.088","","","0.1492","0.1541","","","","","","1.274","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514457","8.849","0.0018","11.157","0.002","14.564","0.003","103.13","0.03","93.56","0.03","91.72","0.03","1396.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 N4 O10 Tb -","- C18 H28 Cl3 N4 O10 Tb -","- C36 H56 Cl6 N8 O20 Tb2 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.7109","synchrotron","","0.0567","0.0542","","","0.1355","0.1473","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514458","8.846","0.0018","11.148","0.002","14.527","0.003","102.85","0.03","93.52","0.03","91.86","0.03","1392.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 Dy N4 O10 -","- C18 H28 Cl3 Dy N4 O10 -","- C36 H56 Cl6 Dy2 N8 O20 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.7107","synchrotron","","0.0344","0.033","","","0.0817","0.0847","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514459","8.87","0.0018","11.12","0.002","14.439","0.003","102.36","0.03","93.95","0.03","91.96","0.03","1386.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 Ho N4 O10 -","- C18 H32 Cl3 Ho N4 O10 -","- C36 H64 Cl6 Ho2 N8 O20 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71086","synchrotron","","0.0296","0.0277","","","0.072","0.0735","","","","","","1.061","","","","has coordinates","191026","2020-10-21","18:00:00",""
"1514460","8.8067","0.0005","11.1745","0.0007","14.5412","0.0009","103.075","0.002","93.297","0.002","91.942","0.002","1389.98","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 Er N4 O10 -","- C18 H28 Cl3 Er N4 O10 -","- C36 H56 Cl6 Er2 N8 O20 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.0317","0.0259","","","0.0519","0.0541","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514461","8.819","0.0018","11.149","0.002","14.491","0.003","102.91","0.03","93.47","0.03","91.88","0.03","1384.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H32 Cl3 N4 O10 Y -","- C18 H28 Cl3 N4 O10 Y -","- C36 H56 Cl6 N8 O20 Y2 -","2","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71086","synchrotron","","0.0313","0.0306","","","0.0819","0.0822","","","","","","1.107","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514462","13.0909","0.0018","14.851","0.003","13.916","0.002","90","","102.875","0.004","90","","2637.4","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N7 O14 Tb -","- C19 H24 N7 O14 Tb -","- C76 H96 N28 O56 Tb4 -","4","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.1102","0.0855","","","0.1857","0.1998","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514463","13.09","0.003","14.792","0.003","13.965","0.003","90","","102.88","0.03","90","","2636","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Dy N7 O14 -","- C19 H24 Dy N7 O14 -","- C76 H96 Dy4 N28 O56 -","4","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.7107","synchrotron","","0.0545","0.045","","","0.1141","0.1195","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514464","13.0407","0.0009","14.8401","0.0009","13.9335","0.0009","90","","102.721","0.002","90","","2630.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Ho N7 O14 -","- C19 H24 Ho N7 O14 -","- C76 H96 Ho4 N28 O56 -","4","1","","Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Soncini, Alessandro; Batten, Stuart R.; Murray, Keith S.","Single molecule magnetism in a family of mononuclear β-diketonate lanthanide(iii) complexes: rationalization of magnetic anisotropy in complexes of low symmetry","Chemical Science","2013","4","4","1719","","10.1039/c3sc22300k","","","0.71073","MoKα","","0.0859","0.0606","","","0.1224","0.1337","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514465","8.707","0.0002","13.3165","0.0002","13.7802","0.001","90","","100.665","0.007","90","","1570.17","0.13","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Br2 Ni P2 -","- C10 H24 Br2 Ni P2 -","- C40 H96 Br8 Ni4 P8 -","4","1","","Bryan, Zachary J.; McNeil, Anne J.","Evidence for a preferential intramolecular oxidative addition in Ni-catalyzed cross-coupling reactions and their impact on chain-growth polymerizations","Chemical Science","2013","4","4","1620","","10.1039/c3sc00090g","","","1.54178","CuKα","","0.0304","0.0297","","","0.0729","0.0734","","","","","","1.207","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514466","14.4797","0.0014","11.9305","0.0011","13.1126","0.0013","90","","98.591","0.003","90","","2239.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Chlorido(hapto^6^-p-cymene)(N-{4-hydroxyphenyl}-2-pyridinecarbothioamide)osmium(II)] chloride","","- C22 H24 Cl2 N2 O Os S -","- C22 H24 Cl2 N2 O Os S -","- C88 H96 Cl8 N8 O4 Os4 S4 -","4","1","","Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G.","Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents","Chemical Science","2013","4","4","1837","","10.1039/c3sc22294b","","","0.71073","MoKα","","0.0425","0.0251","","","0.0485","0.0547","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514467","14.0346","0.0009","8.6278","0.0005","22.7026","0.0013","90","","90.353","0.003","90","","2749","0.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[Chlorido(hapto^6^-p-cymene)(N-{4-fluorophenyl}-2-pyridinecarbothioamide)ruthenium(II)] chloride","","- C25 H29 Cl2 F N2 O Ru S -","- C25 H29 Cl2 F N2 O Ru S -","- C100 H116 Cl8 F4 N8 O4 Ru4 S4 -","4","1","","Meier, Samuel M.; Hanif, Muhammad; Adhireksan, Zenita; Pichler, Verena; Novak, Maria; Jirkovsky, Elisabeth; Jakupec, Michael A.; Arion, Vladimir B.; Davey, Curt A.; Keppler, Bernhard K.; Hartinger, Christian G.","Novel metal(ii) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents","Chemical Science","2013","4","4","1837","","10.1039/c3sc22294b","","","0.71073","MoKα","","0.1037","0.0469","","","0.1031","0.124","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514468","12.6611","0.0001","19.0777","0.0001","47.5848","0.0004","90","","90","","90","","11493.8","0.15","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C108 H116 Br6 Co4 N11 O16 -","- C108 H116 Br6 Co4 N11 O16 -","- C432 H464 Br24 Co16 N44 O64 -","4","1","","Zhu, Yuan-Yuan; Cui, Chang; Zhang, Yi-Quan; Jia, Jun-Hua; Guo, Xiao; Gao, Chen; Qian, Kang; Jiang, Shang-Da; Wang, Bing-Wu; Wang, Zhe-Ming; Gao, Song","Zero-field slow magnetic relaxation from single Co(ii) ion: a transition metal single-molecule magnet with high anisotropy barrier","Chemical Science","2013","4","4","1802","","10.1039/c3sc21893g","","","0.71073","MoKα","","0.0681","0.045","","","0.1016","0.1078","","","","","","0.971","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1514469","16.163","0.003","20.152","0.004","20.252","0.004","93.07","0.03","90.55","0.03","110.44","0.03","6169","2","140","2","140","2","","","","","","","","8","P -1","-P 1","2","","","","- C132 H136 B8 Cl28 Fe4 N32 O36 Re4 -","- C132 H136 B8 Cl28 Fe4 N32 O36 Re4 -","- C132 H136 B8 Cl28 Fe4 N32 O36 Re4 -","1","0.5","","Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay","Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry","Chemical Science","2013","4","4","1658","","10.1039/c3sc50155h","","","0.71073","MoKα","","0.1296","0.0923","","","0.2546","0.2787","","","","","","0.973","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514470","23.705","0.005","9.3657","0.0012","20.454","0.003","90","","118.68","0.009","90","","3983.9","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 B2 Fe N8 O6 -","- C42 H48 B2 Fe N8 O6 -","- C168 H192 B8 Fe4 N32 O24 -","4","0.5","","Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay","Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry","Chemical Science","2013","4","4","1658","","10.1039/c3sc50155h","","","0.71073","MoKα","","0.0572","0.0406","","","0.0794","0.0865","","","","","","1.11","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514471","10.235","0.005","10.862","0.004","16.008","0.006","97.163","0.018","98.93","0.02","93.02","0.02","1739.6","1.3","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H70 B4 Cl10 Fe2 N14 O12 -","- C56 H70 B4 Cl10 Fe2 N14 O12 -","- C56 H70 B4 Cl10 Fe2 N14 O12 -","1","0.5","","Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay","Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry","Chemical Science","2013","4","4","1658","","10.1039/c3sc50155h","","","0.71073","MoKα","","0.1076","0.0728","","","0.1814","0.2018","","","","","","1.111","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514472","24.166","0.004","18.52","0.004","21.805","0.003","90","","105.6","0.018","90","","9399","3","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H48 B2 Fe N8 O14 Zn2 -","- C56 H48 B2 Fe N8 O14 Zn2 -","- C224 H192 B8 Fe4 N32 O56 Zn8 -","4","0.5","","Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay","Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry","Chemical Science","2013","4","4","1658","","10.1039/c3sc50155h","","","0.71073","MoKα","","0.1093","0.0954","","","0.2456","0.2541","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514473","41.856","0.003","41.856","0.003","41.856","0.003","90","","90","","90","","73329","9","113","2","113","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C7 H5 Cu2 I N4 S -","- C7 H5 Cu2 I N4 S -","- C672 H480 Cu192 I96 N384 S96 -","96","1","","Shan, Xiao-chen; Jiang, Fei-long; Yuan, Da-qiang; Zhang, Hua-bin; Wu, Ming-yan; Chen, Lian; Wei, Jing; Zhang, Shu-quan; Pan, Jie; Hong, Mao-chun","A multi-metal-cluster MOF with Cu4I4 and Cu6S6 as functional groups exhibiting dual emission with both thermochromic and near-IR character","Chemical Science","2013","4","4","1484","","10.1039/c3sc21995j","","","0.71073","MoKα","","0.0962","0.0864","","","0.2627","0.2795","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514474","13.7664","0.001","9.367","0.0007","10.8858","0.0008","90","","99.268","0.003","90","","1385.4","0.18","150","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C60 H72 O24 -","4","0.5","","Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki","Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol","Chemical Science","2013","4","4","1615","","10.1039/c3sc00023k","","","0.7107","MoKα","","","0.0494","","","","0.184","","","","","","1.003","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514475","9.1857","0.0014","10.7306","0.0016","17.807","0.003","90","","94.071","0.002","90","","1750.8","0.5","93","0.2","93","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H32 O7 -","- C19 H32 O7 -","- C76 H128 O28 -","4","1","","Urabe, Daisuke; Nagatomo, Masanori; Hagiwara, Koji; Masuda, Kengo; Inoue, Masayuki","Symmetry-driven synthesis of 9-demethyl-10,15-dideoxyryanodol","Chemical Science","2013","4","4","1615","","10.1039/c3sc00023k","","","0.71073","MoKα","","0.0522","0.0394","","","0.0907","0.0967","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514476","11.462","","12.501","","13.164","","109.79","","108.38","","90.82","","1668.73","","373","2","373","2","","","","","","","","7","P -1","-P 1","2","AEK1052","","","- C31 H28 Cl0 Co F12 N6 P2 -","- C31 H28 Co F12 N6 P2 -","- C62 H56 Co2 F24 N12 P4 -","2","1","","King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.","A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway","Chemical Science","2013","4","4","1578","","10.1039/c3sc22239j","","","0.71073","MoKα","","0.0523","0.0399","","","0.0975","0.1069","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514477","10.9829","0.0008","13.7142","0.0009","17.0064","0.0013","102.458","0.005","107.971","0.005","101.25","0.005","2282.8","0.3","373","2","373","2","","","","","","","","5","P -1","-P 1","2","AEK1071_0m","","","- C53 H45 B Co N5 -","- C53 H45 B Co N5 -","- C106 H90 B2 Co2 N10 -","2","1","","King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.","A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway","Chemical Science","2013","4","4","1578","","10.1039/c3sc22239j","","","1.54178","CuKα","","0.0957","0.0625","","","0.1524","0.1685","","","","","","0.997","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514478","11.94","0.0003","12.822","0.0003","15.328","0.0003","65.696","0.001","78.915","0.001","66.557","0.001","1960.99","0.08","373","2","373","2","","","","","","","","8","P -1","-P 1","2","AEK1145CoOAc","","","- C33 H28 Cl0 Co F6 N5 O8 S2 -","- C33 H28 Co F6 N5 O8 S2 -","- C66 H56 Co2 F12 N10 O16 S4 -","2","1","","King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.","A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway","Chemical Science","2013","4","4","1578","","10.1039/c3sc22239j","","","0.71073","MoKα","","0.0412","0.0362","","","0.0922","0.0946","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514479","17.791","","16.341","","27.415","","90","","97.47","","90","","7902.52","","373","2","373","2","","","","","","","","8","C 1 c 1","C -2yc","9","AEK1145Co","","","- C144 H130 B4 Co4 F40 N30 O24 S8 -","- C144 H130 B4 Co4 F40 N30 O24 S8 -","- C288 H260 B8 Co8 F80 N60 O48 S16 -","2","0.5","","King, Amanda E.; Surendranath, Yogesh; Piro, Nicholas A.; Bigi, Julian P.; Long, Jeffrey R.; Chang, Christopher J.","A mechanistic study of proton reduction catalyzed by a pentapyridine cobalt complex: evidence for involvement of an anation-based pathway","Chemical Science","2013","4","4","1578","","10.1039/c3sc22239j","","","0.71073","MoKα","","0.0761","0.0692","","","0.188","0.1975","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514480","15.7015","0.0005","12.8679","0.0003","18.0196","0.0006","90","","105.064","0.001","90","","3515.66","0.18","113","1","113","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H68 B4 F16 N16 O4 -","- C55 H68 B4 F16 N16 O4 -","- C110 H136 B8 F32 N32 O8 -","2","0.5","","Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L.","A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media","Chemical Science","2013","4","4","1560","","10.1039/c3sc22144j","","","0.710747","MoKα","","0.1138","0.105","","","0.2782","0.2881","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514481","19.726","0.009","15.697","0.006","22.564","0.009","90","","101.404","0.006","90","","6849","5","113","1","113","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H64 B F4 N16 O7 P2 -","- C54 H64 B F4 N16 O7 P2 -","- C216 H256 B4 F16 N64 O28 P8 -","4","1","","Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L.","A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media","Chemical Science","2013","4","4","1560","","10.1039/c3sc22144j","","","0.710747","MoKα","","0.1617","0.0924","","","0.2326","0.2684","","","","","","0.946","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514482","20.554","0.006","16.552","0.005","31.568","0.01","90","","93.445","0.007","90","","10720","6","113","1","113","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C162 H200 B8 F32 N48 O16 P4 -","- C162 H200 B8 F32 N48 O16 P4 -","- C324 H400 B16 F64 N96 O32 P8 -","2","0.5","","Cai, Jiajia; Hay, Benjamin P.; Young, Neil J.; Yang, Xiaoping; Sessler, Jonathan L.","A pyrrole-based triazolium-phane with NH and cationic CH donor groups as a receptor for tetrahedral oxyanions that functions in polar media","Chemical Science","2013","4","4","1560","","10.1039/c3sc22144j","","","0.710747","MoKα","","0.1924","0.0981","","","0.2262","0.2681","","","","","","0.939","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514483","14.073","0.003","21.02","0.004","19.083","0.004","90","","90","","90","","5645","2","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","[Cl2iPr2Cu]2(u-S(CH2)3S)","","","- C57 H74 Cl4 Cu2 N4 S2 -","- C57 H74 Cl4 Cu2 N4 S2 -","- C228 H296 Cl16 Cu8 N16 S8 -","4","0.5","","Zhang, Shiyu; Warren, Timothy H.","Three coordinate models for the binuclear CuA electron-transfer site","Chemical Science","2013","4","4","1786","","10.1039/c3sc21936d","","","0.71073","MoKα","","0.1098","0.0686","","","0.1225","0.1342","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514484","52.089","0.01","8.9421","0.0017","35.545","0.007","90","","129.297","0.002","90","","12813","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cl2iPr2Cu]2(u-S(CH2)4S)","","","- C58 H76 Cl4 Cu2 N4 S2 -","- C58 H76 Cl4 Cu2 N4 S2 -","- C464 H608 Cl32 Cu16 N32 S16 -","8","1","","Zhang, Shiyu; Warren, Timothy H.","Three coordinate models for the binuclear CuA electron-transfer site","Chemical Science","2013","4","4","1786","","10.1039/c3sc21936d","","","0.71073","MoKα","","0.0921","0.0541","","","0.1155","0.1286","","","","","","0.974","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514485","9.26","0.012","24.43","0.03","15.506","0.019","90","","100.133","0.017","90","","3453","7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cl2iPrCu]SCH2CH2Ph","","","- C35 H43 Cl2 Cu N2 S -","- C35 H43 Cl2 Cu N2 S -","- C140 H172 Cl8 Cu4 N8 S4 -","4","1","","Zhang, Shiyu; Warren, Timothy H.","Three coordinate models for the binuclear CuA electron-transfer site","Chemical Science","2013","4","4","1786","","10.1039/c3sc21936d","","","0.71073","MoKα","","0.1335","0.0726","","","0.1684","0.1908","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514486","18.9604","0.001","9.3522","0.0006","19.2687","0.0012","90","","90","","90","","3416.8","0.4","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxybenzyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol- 2-ium chloride deuterohydrate","","- C18 H18 Cl D2 N3 O2 -","- C18 H18 Cl D2 N3 O2 -","- C144 H144 Cl8 D16 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.0391","0.0303","","","0.0731","0.0798","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514487","19.2697","0.0016","9.5129","0.0008","19.6896","0.0016","90","","90","","90","","3609.3","0.5","120","","120","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxy-paramethylbenzyl)-6,7-dihydro-5H-pyrrolo[2,1- c][1,2,4]triazol-2-ium chloride deuterohydrate","","- C19 H20 Cl D2 N3 O2 -","- C19 H20 Cl D2 N3 O2 -","- C152 H160 Cl8 D16 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.1355","0.0475","","","0.0938","0.1198","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514488","18.8845","0.0008","9.4266","0.0004","19.2915","0.0009","90","","90","","90","","3434.2","0.3","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","2-phenyl-3-(α-hydroxy-parafluorobenzyl)-6,7-dihydro-5H-pyrrolo[2,1- c][1,2,4]triazol-2-ium chloride deuterohydrate","","- C18 H17 Cl D2 F N3 O2 -","- C18 H17 Cl D2 F N3 O2 -","- C144 H136 Cl8 D16 F8 N24 O16 -","8","1","","Collett, Christopher J.; Massey, Richard S.; Maguire, Oliver R.; Batsanov, Andrei S.; O'Donoghue, AnnMarie C.; Smith, Andrew D.","Mechanistic insights into the triazolylidene-catalysed Stetter and benzoin reactions: role of the N-aryl substituent","Chemical Science","2013","4","4","1514","","10.1039/c2sc22137c","","","0.71073","MoKα","","0.0439","0.0319","","","0.0773","0.0863","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514489","10.1903","0.0006","12.5783","0.0008","27.2498","0.0017","90","","96.4952","0.0008","90","","3470.4","0.4","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[ONOq]FeCl2","","- C35 H48 Cl2 Fe N O2 -","- C35 H48 Cl2 Fe N O2 -","- C140 H192 Cl8 Fe4 N4 O8 -","4","1","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0539","0.0341","","","0.073","0.0802","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514490","11.9269","0.0007","17.5744","0.001","24.1583","0.0013","90","","111.583","0.0006","90","","4708.7","0.5","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[ONOq]Fe[N(SiMe3)2]2","","- C40 H76 Fe N3 O2 Si4 -","- C40 H76 Fe N3 O2 Si4 -","- C160 H304 Fe4 N12 O8 Si16 -","4","1","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.036","0.0297","","","0.0705","0.0737","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514491","14.8709","0.0008","15.747","0.0008","17.9214","0.001","94.0663","0.0007","111.428","0.0007","95.5142","0.0007","3863","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","{[ONO]Fe(ortho-C6O2Cl4)}2","","- C75.5 H98 Cl8 Fe2 N2 O8 -","- C75.5 H98 Cl8 Fe2 N2 O8 -","- C151 H196 Cl16 Fe4 N4 O16 -","2","1","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0676","0.0401","","","0.0899","0.0999","","","","","","1.019","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514492","12.6068","0.0011","24.431","0.002","16.6177","0.0014","90","","111.803","0.0009","90","","4752.1","0.7","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[ONOq]Fe(ortho-C6O2Cl4)(py)","","- C43 H55 Cl4 Fe N2 O5 -","- C43 H55 Cl4 Fe N2 O5 -","- C172 H220 Cl16 Fe4 N8 O20 -","4","1","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0916","0.061","","","0.1486","0.1709","","","","","","1.074","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514493","14.1943","0.001","14.2798","0.001","17.1104","0.0013","90","","113.995","0.0009","90","","3168.4","0.4","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[ONOcat]Fe(py)3","","- C66 H90 Fe2 N4 O4 -","- C66 H90 Fe2 N4 O4 -","- C132 H180 Fe4 N8 O8 -","2","0.5","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0595","0.0413","","","0.1024","0.1125","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514494","14.0101","0.0006","15.7187","0.0007","19.934","0.0008","90","","97.6912","0.0005","90","","4350.4","0.3","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","{[ONOcat]Fe(py)}2","","- C45 H58 Fe N5 O2 -","- C45 H58 Fe N5 O2 -","- C180 H232 Fe4 N20 O8 -","4","2","","Wong, Janice L.; Sánchez, Raúl Hernández; Logan, Jennifer Glancy; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.","Disulfide reductive elimination from an iron(iii) complex","Chemical Science","2013","4","4","1906","","10.1039/c3sc22335c","","","0.71073","MoKα","","0.0426","0.0354","","","0.0841","0.0877","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514495","11.4287","0.0018","11.7031","0.0018","12.918","0.002","64.005","0.003","89.783","0.003","71.129","0.003","1450.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Cu3 N8 O0 -","- C26 H27 Cu3 N8 -","- C52 H54 Cu6 N16 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.088","0.0641","","","0.1575","0.1868","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514496","11.4262","0.0005","11.4509","0.0005","12.5243","0.0007","66.62","0.005","89.182","0.004","69.908","0.004","1398.37","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Cu3 N8 O0 -","- C20 H21 Cu3 N8 -","- C40 H42 Cu6 N16 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","1.54184","CuKα","","0.0793","0.0621","","","0.194","0.217","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514497","11.4964","0.0006","11.3571","0.0006","12.9352","0.0007","115.386","0.005","91.133","0.004","69.305","0.005","1409.92","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Cu3 N8 O2 -","- C22 H26 Cu3 N8 O2 -","- C44 H52 Cu6 N16 O4 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.0483","0.0352","","","0.1096","0.1258","","","","","","0.892","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514498","11.5152","0.0003","11.312","0.0004","12.6953","0.0004","114.171","0.003","91.497","0.003","68.347","0.003","1386.93","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H26 Cu3 N8 O2 -","- C22 H26 Cu3 N8 O2 -","- C44 H52 Cu6 N16 O4 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.042","0.0371","","","0.1306","0.1364","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514499","11.4723","0.0007","11.4569","0.0007","13.1199","0.0008","64.295","0.006","89.824","0.005","110.147","0.006","1434.83","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cu3 N8 O2 -","- C24 H29 Cu3 N8 O2 -","- C48 H58 Cu6 N16 O4 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.0501","0.0372","","","0.103","0.1144","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514500","11.4507","0.0006","11.6026","0.0005","13.2025","0.0007","65.36","0.005","71.368","0.005","71.461","0.004","1475.62","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H33 Cu3 N8 -","- C26 H33 Cu3 N8 -","- C52 H66 Cu6 N16 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.0787","0.0464","","","0.1083","0.1263","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514501","11.37","0.0004","11.4274","0.0005","12.1912","0.0006","67.952","0.004","87.743","0.003","69.803","0.003","1370.45","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cu3 N9 O -","- C22 H24 Cu3 N9 O -","- C44 H48 Cu6 N18 O2 -","2","1","","Wang, Jun-Hao; Li, Mian; Li, Dan","A dynamic, luminescent and entangled MOF as a qualitative sensor for volatile organic solvents and a quantitative monitor for acetonitrile vapour","Chemical Science","2013","4","4","1793","","10.1039/c3sc00016h","","","0.71073","MoKα","","0.0689","0.057","","","0.189","0.2077","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514503","9.2584","0.0006","9.2584","0.0006","14.1473","0.0017","90","","90","","90","","1212.68","0.18","298","2","298","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C15 Cl2 N5 Ni O8 -","- C15 Cl2 N5 Ni O8 -","- C30 Cl4 N10 Ni2 O16 -","2","0.125","","Cho, Jaeheung; Kang, Hye Yeon; Liu, Lei V.; Sarangi, Ritimukta; Solomon, Edward I.; Nam, Wonwoo","Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","4","1502","1508","10.1039/C3SC22173C","","","0.71073","MoKα","","0.0815","0.0612","","","0.1594","0.1651","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514504","7.7299","0.0002","7.7263","0.0002","17.8514","0.0005","90","","100.673","0.002","90","","1047.7","0.05","170","2","170","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C15 H33 Cl N5 Ni O6 -","- C15 H33 Cl N5 Ni O6 -","- C30 H66 Cl2 N10 Ni2 O12 -","2","1","","Cho, Jaeheung; Kang, Hye Yeon; Liu, Lei V.; Sarangi, Ritimukta; Solomon, Edward I.; Nam, Wonwoo","Mononuclear nickel(II)-superoxo and nickel(III)-peroxo complexes bearing a common macrocyclic TMC ligand.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","4","1502","1508","10.1039/C3SC22173C","","","0.71073","MoKα","","0.0445","0.036","","","0.0762","0.0801","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514505","19.437","0.0002","19.437","0.0002","18.1371","0.0002","90","","90","","120","","5934.13","0.11","173","","173","","","","","","","","","7","P 63","P 6c","173","","","","- C42 H44 F6 Ir N2 O2 P2 -","- C42 H44 F6 Ir N2 O2 P2 -","- C252 H264 F36 Ir6 N12 O12 P12 -","6","1","","Schramm, York; Barrios-Landeros, Fabiola; Pfaltz, Andreas","Discovery of an iridacycle catalyst with improved reactivity and enantioselectivity in the hydrogenation of dialkyl ketimines","Chemical Science","2013","4","7","2760","","10.1039/c3sc50587a","","","0.71073","MoKα","","0.0497","0.0216","","0.0234","0.0196","0.0196","","","","","","0.7012","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514506","8.6182","0.0001","12.4254","0.0001","20.8694","0.0002","90","","90","","90","","2234.79","0.04","150","","150","","","","","","","","synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 Br N2 O2 S -","- C26 H19 Br N2 O2 S -","- C104 H76 Br4 N8 O8 S4 -","4","1","","Li, Meiling; Woods, Philip A.; Smith, Martin D.","Cation-directed enantioselective synthesis of quaternary-substituted indolenines","Chemical Science","2013","4","7","2907","","10.1039/c3sc50592h","","","0.71073","MoKα","","0.0522","0.0419","","0.0804","0.0752","0.0804","","","","","","0.9781","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514507","12.6892","0.0003","9.9361","0.0003","16.3936","0.0004","90","","102.515","0.0017","90","","2017.81","0.09","150","","150","","","","","","","","syn","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N3 -","- C27 H19 N3 -","- C108 H76 N12 -","4","1","","Li, Meiling; Woods, Philip A.; Smith, Martin D.","Cation-directed enantioselective synthesis of quaternary-substituted indolenines","Chemical Science","2013","4","7","2907","","10.1039/c3sc50592h","","","0.71073","MoKα","","0.0687","0.0502","","0.138","0.1216","0.138","","","","","","0.9481","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514508","11.049","0.003","13.43","0.004","18.364","0.005","105.567","0.004","91.091","0.004","106.254","0.004","2507","1.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H2 Cl16 -","- C72 H2 Cl16 -","- C144 H4 Cl32 -","2","1","","Tan, Yuan-Zhi; Li, Jia; Du, Ming-Yue; Lin, Shui-Chao; Xie, Su-Yuan; Lu, Xin; Huang, Rong-Bin; Zheng, Lan-Sun","Exohedrally stabilized C70 isomer with adjacent pentagons characterized by crystallography","Chemical Science","2013","4","7","2967","","10.1039/c3sc50141h","","","0.71073","MoKα","","0.1057","0.0867","","","0.2162","0.2342","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514509","27.658","0.01","39.485","0.013","42.581","0.015","90","","106.741","0.005","90","","44531","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C368 H360 B16 Co8 F64 N72 O40 -","- C368 H344 B12 Co8 F48 N72 O40 -","- C1472 H1376 B48 Co32 F192 N288 O160 -","4","0.5","","Whitehead, Martina; Turega, Simon; Stephenson, Andrew; Hunter, Christopher A.; Ward, Michael D.","Quantification of solvent effects on molecular recognition in polyhedral coordination cage hosts","Chemical Science","2013","4","7","2744","","10.1039/c3sc50546d","","","0.71073","MoKα","","0.2161","0.1761","","","0.4464","0.477","","","","","","1.645","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514510","16.5029","0.0002","7.0004","0.0001","17.5337","0.0002","90","","103.817","0.001","90","","1967","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H21 N O6 -","- C23 H21 N O6 -","- C92 H84 N4 O24 -","4","2","","Corbett, Michael T.; Johnson, Jeffrey S.","Enantioselective synthesis of hindered cyclic dialkyl ethers via catalytic oxa-Michael/Michael desymmetrization.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2828","2832","10.1039/C3SC51022K","","","1.54178","CuKα","","0.0304","0.0294","","","0.0744","0.0754","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514511","11.3881","0.001","13.7611","0.0013","15.9461","0.0016","90","","90","","90","","2499","0.4","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 O6 -","- C28 H40 O6 -","- C112 H160 O24 -","4","1","","Liffert, Raphael; Hoecker, Johannes; Jana, Chandan K.; Woods, Tom M.; Burch, Patrick; Jessen, Henning J.; Neuburger, Markus; Gademann, Karl","Withanolide A: synthesis and structural requirements for neurite outgrowth","Chemical Science","2013","4","7","2851","","10.1039/c3sc50653c","","","0.71073","MoKα","","0.0593","0.0394","","0.0673","0.0419","0.0405","","","","","","1.1096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514512","6.4731","0.0003","9.867","0.0004","41.104","0.0018","90","","90","","90","","2625.3","0.2","173.2","","173.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 Br2 N O4 -","- C27 H29 Br2 N O4 -","- C108 H116 Br8 N4 O16 -","4","1","","Wang, Hengbin; Guptill, David M.; Alvarez, Adrian Varela; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-catalyzed enantioselective cyclopropanation of electron deficient alkenes.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2844","2850","10.1039/C3SC50425E","","","0.71073","MoKα","","0.0782","0.0687","","","0.1594","0.1629","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514513","6.0402","0.0002","15.4144","0.0004","20.729","0.0008","90","","90","","90","","1930","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O4 -","- C21 H21 Br O4 -","- C84 H84 Br4 O16 -","4","1","","Wang, Hengbin; Guptill, David M.; Alvarez, Adrian Varela; Musaev, Djamaladdin G.; Davies, Huw M. L.","Rhodium-catalyzed enantioselective cyclopropanation of electron deficient alkenes.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2844","2850","10.1039/C3SC50425E","","","0.71073","MoKα","","0.0604","0.0382","","","0.0837","0.0916","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514514","12.7242","0.0005","20.3878","0.0008","23.2389","0.0009","90","","97.497","0.001","90","","5977.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Rh(I)Rh(III)tfepma2Cl4(CNAd)2","","","- C40 H52 Cl4 F24 N3 O8 P4 Rh2 -","- C40 H52 Cl4 F24 N4 O8 P4 Rh2 -","- C160 H208 Cl16 F96 N16 O32 P16 Rh8 -","4","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0747","0.0479","","","0.1065","0.1231","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514515","10.1595","0.0009","10.386","0.001","12.0283","0.0011","73.962","0.002","69.049","0.001","71.477","0.002","1104.74","0.18","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C25 H26 Cl2 F25 N3 O8 P4 Rh2 -","- C25 H26 Cl2 F25 N3 O8 P4 Rh2 -","- C25 H26 Cl2 F25 N3 O8 P4 Rh2 -","1","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0439","0.0367","","","0.0806","0.0849","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514516","12.0403","0.0008","19.3984","0.0013","20.6248","0.0014","90","","106.961","0.001","90","","4607.7","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl2 F24 N3 O9 P4 Rh2 -","- C26 H29 Cl2 F24 N3 O9 P4 Rh2 -","- C104 H116 Cl8 F96 N12 O36 P16 Rh8 -","4","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0674","0.0403","","","0.086","0.1006","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514517","12.2025","0.0013","21.385","0.002","20.398","0.002","90","","98.351","0.002","90","","5266.4","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl4 F25 N3 O8 P4 Rh2 -","- C25 H26 Cl4 F25 N3 O8 P4 Rh2 -","- C100 H104 Cl16 F100 N12 O32 P16 Rh8 -","4","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0915","0.0745","","","0.1924","0.2042","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514518","10.7825","0.0005","15.2029","0.0008","18.7253","0.0009","87.983","0.001","80.065","0.001","73.223","0.001","2894.5","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H37 Cl4 F24 N3 O9 P4 Rh2 -","- C33 H37 Cl4 F24 N3 O9 P4 Rh2 -","- C66 H74 Cl8 F48 N6 O18 P8 Rh4 -","2","1","","Powers, David C.; Chambers, Matthew B.; Teets, Thomas S.; Elgrishi, Noémie; Anderson, Bryce L.; Nocera, Daniel G.","Halogen Photoelimination from Dirhodium Phosphazane Complexes via Chloride-Bridged Intermediates.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","7","2880","","10.1039/C3SC50462J","","","0.71073","MoKα","","0.0656","0.0542","","","0.1486","0.1598","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514519","23.3192","0.0017","28.2","0.002","30.215","0.002","90","","90","","90","","19869","2","150","2","150","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C62 H135 Mn Mo6 N6 O26 -","- C53.8 H111.4 Mn Mo6 N5.5 O25.3 -","- C430.4 H891.2 Mn8 Mo48 N44 O202.4 -","8","1","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.1506","0.0913","","","0.2965","0.3334","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514520","18.0136","0.0006","26.3164","0.0009","26.5199","0.0009","113.089","0.002","102.13","0.002","100.729","0.002","10790.7","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C94 H152 Mn Mo6 N9 O26 -","- C92.85 H141.25 Mn Mo6 N9 O26 -","- C371.4 H565 Mn4 Mo24 N36 O104 -","4","2","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.0646","0.0415","","","0.0998","0.117","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514521","27.455","0.003","29.007","0.003","24.974","0.002","90","","94.45","0.005","90","","19829","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H153 Mn Mo6 N8 O28 -","- C73.45 H126.3 Mn Mo6 N6.55 O26.65 -","- C587.6 H1010.4 Mn8 Mo48 N52.4 O213.2 -","8","2","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.0924","0.0802","","","0.1796","0.1843","","","","","","1.17","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514522","28.257","0.002","21.8128","0.0016","16.5796","0.0014","90","","90","","90","","10219.1","1.4","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C80 H155 Mn Mo6 N8 O29 -","- C58 H61.6 Mn Mo6 N5.9 O25.6 -","- C232 H246.4 Mn4 Mo24 N23.6 O102.4 -","4","0.5","","Yvon, Carine; Macdonell, Andrew; Buchwald, Saskia; Surman, Andrew J.; Follet, Noémie; Alex, Jennifer; Long, De-Liang; Cronin, Leroy","A collection of robust methodologies for the preparation of asymmetric hybrid Mn‒Anderson polyoxometalates for multifunctional materials","Chemical Science","2013","4","10","3810","","10.1039/c3sc51618k","","","0.71073","MoKα","","0.1193","0.0823","","","0.2554","0.2777","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514523","8.3357","0.0013","11.294","0.002","9.9646","0.0017","90","","103.551","0.008","90","","912","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C38 H50 N2 O8 -","2","1","","Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J.","One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity","Chemical Science","2013","4","10","3845","","10.1039/c3sc51785c","","","1.54178","CuKα","","0.0494","0.0467","","","0.1226","0.1261","","","","","","1.08","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514524","7.3372","0.0007","22.647","0.003","20.618","0.002","90","","90.112","0.006","90","","3426","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","4","","Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J.","One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity","Chemical Science","2013","4","10","3845","","10.1039/c3sc51785c","","","1.54178","CuKα","","0.0517","0.0452","","","0.1139","0.1191","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514525","9.0939","0.0016","30.695","0.005","9.139","0.0016","90","","94.405","0.005","90","","2543.5","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C104 H152 N8 O24 -","8","4","","Wasil, Zahida; Pahirulzaman, Khomaizon A. K.; Butts, Craig; Simpson, Thomas J.; Lazarus, Colin M.; Cox, Russell J.","One pathway, many compounds: heterologous expression of a fungal biosynthetic pathway reveals its intrinsic potential for diversity","Chemical Science","2013","4","10","3845","","10.1039/c3sc51785c","","","1.54178","CuKα","","0.0294","0.0294","","","0.0759","0.0759","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514526","9.7614","0.001","10.2988","0.001","10.4722","0.0011","80.745","0.008","71.023","0.009","89.009","0.008","981.91","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Cl3 N2 O3 -","- C17 H17 Cl3 N2 O3 -","- C34 H34 Cl6 N4 O6 -","2","1","","Cui, Sunliang; Zhang, Yan; Wang, Dahai; Wu, Qifan","Rh(iii)-catalyzed C‒H activation/[4 + 3] cycloaddition of benzamides and vinylcarbenoids: facile synthesis of azepinones","Chemical Science","2013","4","10","3912","","10.1039/c3sc51777b","","","0.71073","MoKα","","0.1546","0.1187","","","0.3593","0.4023","","","","","","1.494","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514527","11.8239","0.0004","14.7954","0.0005","15.4075","0.0005","99.322","0.001","110.839","0.001","91.577","0.001","2475.17","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H61 B11 Br6 F P Ru Si -","- C35 H61 B11 Br6 F P Ru Si -","- C70 H122 B22 Br12 F2 P2 Ru2 Si2 -","2","1","","Fasulo, Meg E.; Lipke, Mark C.; Tilley, T. Don","Structural and mechanistic investigation of a cationic hydrogen-substituted ruthenium silylene catalyst for alkene hydrosilation","Chemical Science","2013","4","10","3882","","10.1039/c3sc51585k","","","0.71073","MoKα","","0.0477","0.0471","","","0.1333","0.1338","","","","","","1.03","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514528","9.8107","0.0003","12.2952","0.0003","13.4212","0.0004","93.235","0.001","91.814","0.001","91.35","0.001","1615.01","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpy2py)OTf)OTf*0.75CH3CN","","","- C30.5 H23.25 Co F6 N5.75 O6 S2 -","- C30.5 H23.25 Co F6 N5.75 O6 S2 -","- C61 H46.5 Co2 F12 N11.5 O12 S4 -","2","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.0445","0.0361","","","0.0925","0.099","","","","","","1.073","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514529","11.605","0.003","26.456","0.006","12.584","0.003","90","","114.443","0.003","90","","3517.3","1.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Ni(bpy2py)(CH3CN)]*1.5PF6*0.5BF4*Et2O","","","- C33 H30.5 B0.5 F11 N7 Ni O0.5 P1.5 -","- C33 H30.5 B0.5 F11 N7 Ni O0.5 P1.5 -","- C132 H122 B2 F44 N28 Ni4 O2 P6 -","4","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.055","0.0515","","","0.1394","0.1423","","","","","","1.052","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514530","9.9247","0.0006","13.1783","0.0008","14.849","0.0009","66.577","0.002","80.638","0.002","81.873","0.002","1752.01","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Cu(bpy2py))2OTf*2CH3CN","","","- C33 H27 Cu F6 N7 O6 S2 -","- C33 H27 Cu F6 N7 O6 S2 -","- C66 H54 Cu2 F12 N14 O12 S4 -","2","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.0348","0.0317","","","0.0838","0.0858","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514531","9.829","0.0003","12.2969","0.0003","13.4196","0.0004","92.874","0.001","91.805","0.001","91.232","0.001","1618.7","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Zn(bpy2py)OTf)OTf*CH3CN","","","- C31 H24 F6 N6 O6 S2 Zn -","- C31 H24 F6 N6 O6 S2 Zn -","- C62 H48 F12 N12 O12 S4 Zn2 -","2","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.0303","0.0284","","","0.0786","0.0798","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514532","10.1178","0.0002","10.1848","0.0002","18.5692","0.0004","93.06","0.001","101.838","0.001","106.548","0.001","1782.45","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpy2pyCF3)OTf)OTf*5CH3CN","","","- C32 H23 Co F9 N6 O6 S2 -","- C32 H23 Co F9 N6 O6 S2 -","- C64 H46 Co2 F18 N12 O12 S4 -","2","1","","Nippe, Michael; Khnayzer, Rony S.; Panetier, Julien A.; Zee, David Z.; Olaiya, Babatunde S.; Head-Gordon, Martin; Chang, Christopher J.; Castellano, Felix N.; Long, Jeffrey R.","Catalytic proton reduction with transition metal complexes of the redox-active ligand bpy2PYMe","Chemical Science","2013","4","10","3934","","10.1039/c3sc51660a","","","0.71073","MoKα","","0.0397","0.0332","","","0.0783","0.0817","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514533","6.939","0.004","18.9","0.009","19.529","0.011","90","","90","","90","","2561","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br2 N O6 -","- C27 H23 Br2 N O6 -","- C108 H92 Br8 N4 O24 -","4","1","","Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier","Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates","Chemical Science","2013","4","10","3857","","10.1039/c3sc51658j","","","0.71073","MoKα","","0.2205","0.0951","","","0.1869","0.2325","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514534","9.8524","0.0004","15.9675","0.0005","10.5673","0.0003","90","","92.813","0.002","90","","1660.43","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 N O6 -","- C16 H25 N O6 -","- C64 H100 N4 O24 -","4","1","","Frazier, Charles P.; Sandoval, David; Palmer, Leoni I.; Read de Alaniz, Javier","Electrophilic α-oxygenation reaction of β-ketoesters using N-hydroxycarbamates: control of the ambident reactivity of nitrosoformate intermediates","Chemical Science","2013","4","10","3857","","10.1039/c3sc51658j","","","0.71073","MoKα","","0.0351","0.0316","","","0.0733","0.0759","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514535","10.4149","0.0008","13.7246","0.0011","24.603","0.0019","90","","90","","90","","3516.8","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H60 O6 -","- C37 H59.6 O6 -","- C148 H238.4 O24 -","4","1","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","0.71073","MoKα","","0.0769","0.0516","","","0.1289","0.1432","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514536","8.7254","0.0017","9.5176","0.0019","12.415","0.003","89.65","0.03","80.46","0.03","70.65","0.03","958","0.4","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C38 H62 O9 -","- C38 H62 O9 -","- C38 H62 O9 -","1","1","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","1.54178","CuKα","","0.0486","0.048","","","0.1401","0.1413","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514537","9.3808","0.0007","13.5353","0.0011","32.994","0.003","90","","90","","90","","4189.3","0.6","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H71 Cl O5 Si -","- C41 H71 Cl O5 Si -","- C164 H284 Cl4 O20 Si4 -","4","1","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","0.71073","MoKα","","0.0465","0.0375","","","0.0899","0.0942","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514538","11.2356","0.0002","11.9742","0.0003","24.8296","0.0006","90","","93.447","0.001","90","","3334.46","0.13","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34.5 H57 Cl O5 -","- C34.5 H57 Cl O5 -","- C138 H228 Cl4 O20 -","4","2","","Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao","Synthetic access toward the diverse ginsenosides","Chemical Science","2013","4","10","3899","","10.1039/c3sc51479j","","","1.54178","CuKα","","0.0514","0.0503","","","0.1435","0.1446","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514539","10.911","0.002","12.339","0.002","15.869","0.005","103.994","0.004","97.621","0.004","107.921","0.003","1922.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H57 N5 Ni -","- C43 H57 N5 Ni -","- C86 H114 N10 Ni2 -","2","1","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.0637","0.0455","","","0.0956","0.1006","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514540","13.207","0.001","17.694","0.0014","21.9242","0.0017","90","","90","","90","","5123.3","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H77 N5 Ni -","- C56 H77 N5 Ni -","- C224 H308 N20 Ni4 -","4","1","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.0479","0.0428","","","0.0963","0.0984","","","","","","1.013","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514541","14.779","0.002","15.5","0.002","16.733","0.003","92.788","0.004","98.247","0.003","100.522","0.004","3718.6","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C146 H136 B2 F40 N10 Ni2 -","- C146 H136 B2 F40 N10 Ni2 -","- C146 H136 B2 F40 N10 Ni2 -","1","0.5","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.1879","0.0879","","","0.2298","0.2498","","","","","","1.001","","","","has coordinates","288253","2023-12-12","14:36:06",""
"1514542","17.8294","0.0019","42.047","0.005","17.6823","0.0019","90","","90","","90","","13256","3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C27 H44 N4 Ni -","- C27 H44 N4 Ni -","- C432 H704 N64 Ni16 -","16","1","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.0658","0.0632","","","0.1719","0.1748","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514543","12.174","0.0013","26.324","0.003","31.697","0.003","112.359","0.002","99.666","0.002","92.719","0.002","9191.6","1.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H49 N7 Ni -","- C31 H49 N7 Ni -","- C310 H490 N70 Ni10 -","10","5","","Harrold, Nicole D.; Hillhouse, Gregory L.","Strongly bent nickel imides supported by a chelating bis(N-heterocyclic carbene) ligand","Chemical Science","2013","4","10","4011","","10.1039/c3sc51517f","","","0.71073","MoKα","","0.2227","0.0696","","","0.1501","0.2188","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514544","7.8057","0.0005","10.1854","0.0007","23.4262","0.0017","90","","90","","90","","1862.5","0.2","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl2 O4 -","- C19 H20 Cl2 O4 -","- C76 H80 Cl8 O16 -","4","1","","Hussain, Nusrah; Hussain, Mahmud M.; Carroll, Patrick J.; Walsh, Patrick J.","Chemo- and diastereoselective tandem dual oxidation of B(pin)-substituted allylic alcohols: synthesis of B(pin)-substituted epoxy alcohols, 2-keto-anti-1,3-diols and dihydroxy-tetrahydrofuran-3-ones","Chemical Science","2013","4","10","3946","","10.1039/c3sc51616d","","","0.71073","MoKα","","0.0601","0.0541","","","0.1496","0.154","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514545","19.5671","0.0008","12.5184","0.0005","27.8828","0.0011","90","","106.461","0.002","90","","6549.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70.65 H64.63 Mn4 N7 O14.09 -","- C70.652 H64.63 Mn4 N7 O14.091 -","- C282.608 H258.52 Mn16 N28 O56.364 -","4","1","","Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor","Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","10","3986","3996","10.1039/C3SC51406D","","","0.71073","MoKα","","0.097","0.0643","","","0.1784","0.1919","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514546","12.305","0.0006","15.5248","0.0007","37.6815","0.0018","90","","98.567","0.003","90","","7118.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65.42 H49.25 F4.75 Mn4 N6 O15.58 S1.58 -","- C65.418 H49.254 F4.746 Mn4 N6 O15.582 S1.582 -","- C261.672 H197.016 F18.984 Mn16 N24 O62.328 S6.328 -","4","1","","Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor","Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","10","3986","3996","10.1039/C3SC51406D","","","0.71073","MoKα","","0.0949","0.0848","","","0.2042","0.2089","","","","","","1.136","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514547","12.6007","0.0005","13.0991","0.0005","20.5699","0.0008","99.263","0.002","95.161","0.002","94.247","0.002","3323.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H69 Mn4 N9 O14 -","- C72 H69 Mn4 N9 O14 -","- C144 H138 Mn8 N18 O28 -","2","1","","Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor","Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","10","3986","3996","10.1039/C3SC51406D","","","0.71073","MoKα","","0.1066","0.0536","","","0.0634","0.0661","","","","","","1.542","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514548","15.41","0.003","24.64","0.005","19.23","0.004","90","","103.16","0.03","90","","7110","3","293","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H61 F3 Mn4 N10 O14 S -","- C78 H61 F3 Mn4 N10 O14 S -","- C312 H244 F12 Mn16 N40 O56 S4 -","4","1","","Kanady, Jacob S.; Tran, Rosalie; Stull, Jamie A.; Lu, Luo; Stich, Troy A.; Day, Michael W.; Yano, Junko; Britt, R. David; Agapie, Theodor","Role of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","10","3986","3996","10.1039/C3SC51406D","","","0.7293","synchrotron","","0.0685","0.0572","","","0.1694","0.1739","","","","","","1.64","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514549","9.1886","0.0007","10.6165","0.0007","11.5601","0.0009","81.563","0.006","81.84","0.006","72.521","0.007","1058.25","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N4 O3 Pd -","- C24 H20 N4 O3 Pd -","- C48 H40 N8 O6 Pd2 -","2","1","","Chen, Kai; Hu, Fang; Zhang, Shuo-Qing; Shi, Bing-Feng","Pd(ii)-catalyzed alkylation of unactivated C(sp3)‒H bonds: efficient synthesis of optically active unnatural α-amino acids","Chemical Science","2013","4","10","3906","","10.1039/c3sc51747k","","","0.71073","MoKα","","0.0668","0.0513","","","0.1025","0.1085","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514550","9.4188","0.0002","9.7589","0.0001","15.1515","0.0003","96.812","0.001","97.849","0.001","109.187","0.001","1282.95","0.04","150","2","150","2","","","","","","","synthesis as described","3","P 1","P 1","1","RajanBabu 1916","","","- C27 H32 O11 -","- C27 H32 O11 -","- C54 H64 O22 -","2","2","","Gong, Wei; RajanBabu, T. V.","Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes","Chemical Science","2013","4","10","3979","","10.1039/c3sc51751a","","x-ray","0.71073","MoKα","","0.0443","0.0353","","","0.08","0.0849","","","","","","1.032","","","","has coordinates","208164","2020-10-21","18:00:00",""
"1514551","11.9576","0.0001","12.6539","0.0001","16.2477","0.0001","96.233","0.001","98.572","0.001","100.371","0.001","2367.98","0.03","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","RajanBabu 1872","","","- C45 H63 B O10 Si Sn -","- C45 H63 B O10 Si Sn -","- C90 H126 B2 O20 Si2 Sn2 -","2","1","","Gong, Wei; RajanBabu, T. V.","Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes","Chemical Science","2013","4","10","3979","","10.1039/c3sc51751a","","x-ray","0.71073","MoKα","","0.0553","0.0397","","","0.1017","0.1099","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514552","10.7843","0.0001","14.0454","0.0002","19.3783","0.0002","90","","90","","90","","2935.23","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","RajanBabu 1913","","","- C29 H40 O9 Si -","- C29 H40 O9 Si -","- C116 H160 O36 Si4 -","4","1","","Gong, Wei; RajanBabu, T. V.","Conformation and reactivity in dibenzocyclooctadienes (DBCOD). A general approach to the total synthesis of fully substituted DBCOD lignans via borostannylative cyclization of α,ω-diynes","Chemical Science","2013","4","10","3979","","10.1039/c3sc51751a","","x-ray","0.71073","MoKα","","0.0457","0.0345","","","0.0751","0.0801","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514553","28.3106","0.0008","21.7915","0.0007","22.8536","0.0007","90","","126.572","0.001","90","","11323.1","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C118 H206 B2 Fe2 O P6 -","- C118 H206 B2 Fe2 O P6 -","- C472 H824 B8 Fe8 O4 P24 -","4","0.5","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.1524","0.1005","","","0.1613","0.1666","","","","","","1.997","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514554","22.7338","0.0016","15.5757","0.0011","17.6503","0.0013","90","","110.288","0.001","90","","5862.1","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C124 H208 B2 Cl4 Fe2 N2 O2 P6 -","- C124 H208 B2 Cl4 Fe2 N2 O2 P6 -","- C248 H416 B4 Cl8 Fe4 N4 O4 P12 -","2","0.5","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.1743","0.1009","","","0.1747","0.1813","","","","","","2.946","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514555","14.199","0.004","14.985","0.005","14.939","0.005","90","","103.184","0.005","90","","3094.8","1.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H106 B2 Fe2 O P6 -","- C54 H106 B2 Fe2 O P6 -","- C108 H212 B4 Fe4 O2 P12 -","2","1","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.1702","0.0933","","","0.1635","0.1769","","","","","","1.533","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1514556","33.2834","0.0006","33.2834","0.0006","16.7509","0.0006","90","","90","","90","","18556.4","0.8","100","2","100","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C102 H94 B2 Fe2 O P6 -","- C102 H94 B2 Fe2 O P6 -","- C816 H752 B16 Fe16 O8 P48 -","8","0.5","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.0596","0.0554","","","0.1516","0.1557","","","","","","1.117","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514557","13.1184","0.0019","13.1184","0.0019","31.059","0.006","90","","90","","120","","4628.9","1.3","77","","77","2","","","","","","","","7","P 31","P 31","144","","","","- C67 H81 B Fe Na O7 P3 -","- C67 H81 B Fe Na O7 P3 -","- C201 H243 B3 Fe3 Na3 O21 P9 -","3","1","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","0.71073","MoKα","","0.0524","0.0465","","","0.1123","0.116","","","","","","1.077","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514558","13.7605","0.0004","16.3419","0.0004","22.5111","0.0006","96.665","0.001","106.719","0.001","103.489","0.001","4622.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C91 H82 B2 Fe2 O3 P6 -","- C91 H82 B2 Fe2 O3 P6 -","- C182 H164 B4 Fe4 O6 P12 -","2","1","","Saouma, Caroline T.; Lu, Connie C.; Day, Michael W.; Peters, Jonas C.","CO2 reduction by Fe(i): solvent control of C‒O cleavage versus C‒C coupling","Chemical Science","2013","4","10","4042","","10.1039/c3sc51262b","","","1.54178","CuKα","","0.0787","0.054","","","0.1166","0.1222","","","","","","0.865","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1514559","12.5307","0.0003","18.2485","0.0004","19.5913","0.0004","91.056","0.001","93.582","0.001","109.527","0.001","4210.28","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H62 O4 W -","- C48 H62 O4 W -","- C192 H248 O16 W4 -","4","2","","McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand","Chemical Science","2013","4","3","1145","","10.1039/c2sc21750c","","","0.71073","MoKα","","0.0576","0.0377","","","0.0748","0.0828","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514560","9.4199","0.0004","12.183","0.0005","17.6797","0.0007","93.621","0.002","100.409","0.002","102.237","0.002","1939.34","0.14","99","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H56 O3.5 W -","- C45 H56 O3.5 W -","- C90 H112 O7 W2 -","2","1","","McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand","Chemical Science","2013","4","3","1145","","10.1039/c2sc21750c","","","0.71073","MoKα","","0.0302","0.0262","","","0.0639","0.0655","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514561","9.6683","0.0005","40.736","0.002","21.0306","0.0013","90","","97.047","0.001","90","","8220.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55 O2.5 W -","- C50 H55 O2.5 W -","- C400 H440 O20 W8 -","8","2","","McGowan, Kevin P.; O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Compelling mechanistic data and identification of the active species in tungsten-catalyzed alkyne polymerizations: conversion of a trianionic pincer into a new tetraanionic pincer-type ligand","Chemical Science","2013","4","3","1145","","10.1039/c2sc21750c","","","0.71073","MoKα","","0.07","0.0361","","","0.0577","0.0694","","","","","","0.956","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514562","11.1564","0.0002","16.8638","0.0004","17.2397","0.0004","94.315","0.0014","93.4125","0.0018","108.645","0.0012","3052.51","0.12","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C70.11 H51.07 Cl4.87 N8 O4.24 Zn2 -","- C70.11 H51.07 Cl4.89 N8 O4.24 Zn2 -","- C140.22 H102.14 Cl9.78 N16 O8.48 Zn4 -","2","1","","Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya","Two double helical modes of bidipyrrin‒ZnII complexes","Chemical Science","2013","4","3","1204","","10.1039/c2sc21913a","","","1.54187","CuKa","","0.1734","0.1033","","","0.252","0.3404","","","","","","1.126","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514563","12.324","0.005","8.833","0.003","25.104","0.011","90","","94.105","0.014","90","","2725.8","1.9","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Br2 N4 Ni -","- C32 H24 Br2 N4 Ni -","- C128 H96 Br8 N16 Ni4 -","4","1","","Maeda, Hiromitsu; Nishimura, Takuma; Akuta, Ryo; Takaishi, Kazuto; Uchiyama, Masanobu; Muranaka, Atsuya","Two double helical modes of bidipyrrin‒ZnII complexes","Chemical Science","2013","4","3","1204","","10.1039/c2sc21913a","","","0.71075","MoKα","","0.0665","0.0431","","","0.1155","0.1303","","","","","","0.873","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514564","12.4834","0.0001","18.5861","0.0002","20.5491","0.0003","90","","117.547","0.001","90","","4227.24","0.09","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 Eu F18 N4 O7 -","- C34 H25 Eu F18 N4 O7 -","- C136 H100 Eu4 F72 N16 O28 -","4","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","0.71073","MoKα","","0.0504","0.0412","","","0.1059","0.115","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514565","21.9162","0.0008","18.3619","0.0008","24.8681","0.0009","90","","122.872","0.002","90","","8405.1","0.6","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H50 Eu2 F36 N8 O14 -","- C69 H50 Eu2 F36 N8 O14 -","- C276 H200 Eu8 F144 N32 O56 -","4","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","0.71073","MoKα","","0.0863","0.064","","","0.1592","0.1708","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514566","17.6614","0.0004","19.7308","0.0004","23.4654","0.0005","95.2886","0.0019","96.678","0.0019","114.691","0.002","7288.8","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H90.5 Eu3 F54 N18.5 O20 -","- C119 H90.5 Eu3 F54 N18.5 O20 -","- C238 H181 Eu6 F108 N37 O40 -","2","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","1.54184","CuKα","","0.0715","0.0567","","","0.1455","0.1585","","","","","","1.046","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514567","12.2354","0.0002","14.4044","0.0002","14.8029","0.0003","77.3039","0.0016","72.1925","0.0019","68.6551","0.0017","2296.17","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H31 F18 Lu N6 O7 -","- C38 H31 F18 Lu N6 O7 -","- C76 H62 F36 Lu2 N12 O14 -","2","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","1.54184","CuKα","","0.0277","0.0264","","","0.0693","0.0704","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514568","11.6721","0.0002","15.7298","0.0004","22.3967","0.0005","78.307","0.002","87.1599","0.0017","87.3088","0.0018","4018.88","0.16","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H54 F30 La2 N10 O14 -","- C66 H54 F30 La2 N10 O14 -","- C132 H108 F60 La4 N20 O28 -","2","1","","Zaïm, Amir; Favera, Natalia Dalla; Guénée, Laure; Nozary, Homayoun; Hoang, Thi Nhu Y.; Eliseeva, Svetlana V.; Petoud, Stéphane; Piguet, Claude","Lanthanide hexafluoroacetylacetonates vs. nitrates for the controlled loading of luminescent polynuclear single-stranded oligomers","Chemical Science","2013","4","3","1125","","10.1039/c2sc21982d","","","1.54184","CuKα","","0.0554","0.0522","","","0.14","0.1449","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514569","18.485","0.012","5.944","0.003","18.057","0.012","90","","92.841","0.013","90","","1982","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Xie, Jin; Xue, Qicai; Jin, Hongming; Li, Huamin; Cheng, Yixiang; Zhu, Chengjian","A visible-light-promoted aerobic C‒H/C‒N cleavage cascade to isoxazolidine skeletons","Chemical Science","2013","4","3","1281","","10.1039/c2sc22131d","","","0.71073","MoKα","","0.1235","0.0684","","","0.1592","0.1862","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514570","31.601","0.004","31.601","0.004","10.671","0.003","90","","90","","90","","10656","4","120","1","120","1","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C47 H53 La O2 P3 Se6 -","- C44 H30 La O2 P3 Se6 -","- C352 H240 La8 O16 P24 Se48 -","8","0.5","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.093","0.0831","","","0.184","0.1857","","","","","","2.384","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514571","9.8457","0.0013","13.0684","0.0017","19.024","0.002","88.6","0.001","85.615","0.001","70.493","0.001","2300.5","0.5","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H46 Ce O2 P3 Se6 -","- C44 H46 Ce O2 P3 Se6 -","- C88 H92 Ce2 O4 P6 Se12 -","2","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0474","0.0323","","","0.0685","0.0739","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514572","31.4695","0.0018","31.4695","0.0018","10.6442","0.0012","90","","90","","90","","10541.3","1.5","120","1","120","1","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C47 H53 Nd O2 P3 Se6 -","- C44 H46 Nd O2 P3 Se6 -","- C352 H368 Nd8 O16 P24 Se48 -","8","0.5","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0521","0.0381","","","0.0732","0.076","","","","","","1.346","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514573","13.5653","0.001","9.0111","0.0007","35.576","0.003","90","","91.945","0.001","90","","4346.2","0.6","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 La N2 P3 Se6 -","- C40 H36 La N2 P3 Se6 -","- C160 H144 La4 N8 P12 Se24 -","4","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0617","0.039","","","0.0817","0.0903","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514574","13.344","0.004","18.862","0.005","20.428","0.005","79.465","0.004","89.356","0.004","70.12","0.003","4746","2","141","2","141","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 N0 O2 P3 Pu Se6 -","- C44 H46 O2 P3 Pu Se6 -","- C176 H184 O8 P12 Pu4 Se24 -","4","2","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.1355","0.0703","","","0.1556","0.1816","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514575","12.6878","0.0005","21.9927","0.0009","22.9089","0.001","90","","90","","90","","6392.5","0.5","120","1","120","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 Ce N O P4 Se8 -","- C60 H68 Ce N O P4 Se8 -","- C240 H272 Ce4 N4 O4 P16 Se32 -","4","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0341","0.0269","","","0.0461","0.0479","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514576","12.7053","0.0012","21.997","0.002","22.902","0.002","90","","90","","90","","6400.6","1","141","2","141","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H68 N O P4 Pu Se8 -","- C60 H68 N O P4 Pu Se8 -","- C240 H272 N4 O4 P16 Pu4 Se32 -","4","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0338","0.0261","","","0.0448","0.0464","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514577","13.8131","0.0006","9.7933","0.0005","18.8547","0.0009","90","","91.597","0.001","90","","2549.6","0.2","120","1","120","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H40 P4 Se8 U -","- C48 H40 P4 Se8 U -","- C96 H80 P8 Se16 U2 -","2","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.0276","0.0226","","","0.0463","0.0474","","","","","","0.659","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514578","13.8899","0.0019","9.9688","0.0014","18.862","0.003","90","","91.609","0.002","90","","2610.7","0.7","141","2","141","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H40 Np P4 Se8 -","- C48 H40 Np P4 Se8 -","- C96 H80 Np2 P8 Se16 -","2","1","","Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.","Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand","Chemical Science","2013","4","3","1189","","10.1039/c2sc21806b","","","0.71073","MoKα","","0.077","0.0414","","","0.0622","0.0704","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514579","25.5236","0.0014","13.7422","0.0008","14.3634","0.0008","90","","90","","90","","5038","0.5","100.15","","100.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C54 H78 Cl Ir N2 O2 -","- C54 H78 Cl Ir N2 O2 -","- C216 H312 Cl4 Ir4 N8 O8 -","4","1","","Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang","Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid","Chemical Science","2013","4","3","1234","","10.1039/c2sc21923a","","","0.71073","MoKα","","0.0429","0.0395","","","0.0838","0.086","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514580","10.499","0.0005","10.5404","0.0005","11.0455","0.0006","63.986","0.001","85.787","0.001","69.884","0.001","1027.14","0.09","100.15","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H26 Cl3 N2 Rh -","- C20 H26 Cl3 N2 Rh -","- C40 H52 Cl6 N4 Rh2 -","2","1","","Barnard, Jonathan H.; Wang, Chao; Berry, Neil G.; Xiao, Jianliang","Long-range metal‒ligand bifunctional catalysis: cyclometallated iridium catalysts for the mild and rapid dehydrogenation of formic acid","Chemical Science","2013","4","3","1234","","10.1039/c2sc21923a","","","0.71073","MoKα","","0.0267","0.0241","","","0.053","0.0549","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514581","9.552","0.005","10.569","0.006","13.458","0.007","71.185","0.011","76.497","0.011","77.422","0.011","1235.4","1.2","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H27 N3 O3 -","- C28 H27 N3 O3 -","- C56 H54 N6 O6 -","2","2","","Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi","Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway","Chemical Science","2013","4","3","1308","","10.1039/c2sc22027j","","","0.71073","MoKα","","0.1279","0.0524","","","0.1175","0.1617","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514582","11.118","0.003","16.129","0.005","26.837","0.008","90","","90","","90","","4812","2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 N2 O4 -","- C28 H28 N2 O4 -","- C224 H224 N16 O32 -","8","2","","Uraguchi, Daisuke; Ueki, Yusuke; Sugiyama, Atsushi; Ooi, Takashi","Highly stereoselective Michael addition of azlactones to electron-deficient triple bonds under P-spiro chiral iminophosphorane catalysis: importance of protonation pathway","Chemical Science","2013","4","3","1308","","10.1039/c2sc22027j","","","0.71073","MoKα","","0.1417","0.0911","","","0.1854","0.2129","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514583","6.8101","0.0003","9.5015","0.0004","21.2601","0.0005","90","","90","","90","","1375.66","0.09","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H18 Ca N O8 P -","- C7 H18 Ca N O8 P -","- C28 H72 Ca4 N4 O32 P4 -","4","1","","Liang, Xiaoqiang; Zhang, Feng; Feng, Wei; Zou, Xiaoqin; Zhao, Chengji; Na, Hui; Liu, Cong; Sun, Fuxing; Zhu, Guangshan","From metal‒organic framework (MOF) to MOF‒polymer composite membrane: enhancement of low-humidity proton conductivity","Chemical Science","2013","4","3","983","","10.1039/c2sc21927a","","","0.71073","MoKα","","0.072","0.0576","","","0.105","0.1072","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514584","12.5384","0.001","13.4689","0.0011","19.1735","0.0015","90","","93.373","0.001","90","","3232.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","IPrAuNiPr2","","","- C33 H50 Au N3 -","- C33 H50 Au N3 -","- C132 H200 Au4 N12 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0329","0.0297","","","0.0891","0.0937","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514585","12.0547","0.0006","14.2387","0.0007","20.0505","0.0011","90","","90","","90","","3441.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","((IPr)AuNHiPr2)(BF4)","","","- C33 H51 Au B F4 N3 -","- C33 H51 Au B F4 N3 -","- C132 H204 Au4 B4 F16 N12 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0122","0.0118","","","0.0285","0.0286","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514586","12.5675","0.0007","19.0611","0.001","14.9662","0.0008","90","","108.971","0.001","90","","3390.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(IPr)AuNHPh*THF","","","- C37 H50 Au N3 O -","- C37 H50 Au N3 O -","- C148 H200 Au4 N12 O4 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0184","0.0161","","","0.0373","0.039","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514587","10.8111","0.0008","20.7615","0.0016","16.2556","0.0012","90","","103.247","0.003","90","","3551.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","npm038","npm038","","- C36 H53 Au N4 -","- C36 H53 Au N4 -","- C144 H212 Au4 N16 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0875","0.0618","","","0.1588","0.1742","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514588","14.8187","0.0006","19.5498","0.0008","28.0267","0.0011","90","","90","","90","","8119.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","IPrAuPMes2","","","- C45 H58 Au N2 P -","- C45 H58 Au N2 P -","- C360 H464 Au8 N16 P8 -","8","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0704","0.0402","","","0.0793","0.0922","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514589","11.8034","0.0006","8.9229","0.0004","50.327","0.003","90","","92.992","0.001","90","","5293.2","0.5","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","npm041","npm041","","- C45 H59 Au B F4 N2 P -","- C45 H59 Au B F4.01 N2 P -","- C180 H236 Au4 B4 F16.04 N8 P4 -","4","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0556","0.0536","","","0.1179","0.119","","","","","","1.237","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514590","11.9915","0.0006","12.2396","0.0006","16.7165","0.0009","96.555","0.001","108.386","0.001","105.096","0.001","2195.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","npm023","npm023","","- C37 H59 Au B Cl4 F4 N2 P -","- C37 H59 Au B Cl4 F4 N2 P -","- C74 H118 Au2 B2 Cl8 F8 N4 P2 -","2","1","","Johnson, Miles W.; Shevick, Sophia L.; Toste, F. Dean; Bergman, Robert G.","Preparation and reactivity of terminal gold(i) amides and phosphides","Chemical Science","2013","4","3","1023","","10.1039/c2sc21519e","","","0.71073","MoKα","","0.0683","0.065","","","0.1449","0.1471","","","","","","1.179","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514591","10.1656","0.0013","13.4105","0.0018","15.503","0.002","97.346","0.003","101.171","0.003","101.772","0.003","1998.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H59 Cl N P Pd -","- C45 H59 Cl N P Pd -","- C90 H118 Cl2 N2 P2 Pd2 -","2","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0217","0.0201","","","0.0533","0.0544","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514592","14.55","0.0018","13.7601","0.0017","23.806","0.003","90","","94.469","0.003","90","","4751.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H45 Cl4 N P2 Pd -","- C57.4998 H44.9996 Cl3.9996 N P2 Pd -","- C229.999 H179.998 Cl15.9984 N4 P8 Pd4 -","4","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0382","0.0307","","","0.0798","0.0856","","","","","","1.055","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514593","12.3071","0.001","13.5653","0.0011","14.7831","0.0012","102.455","0.001","94.481","0.001","98.654","0.001","2366.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H72 N O4 P Pd S -","- C50 H72 N O4 P Pd S -","- C100 H144 N2 O8 P2 Pd2 S2 -","2","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.037","0.0313","","","0.0757","0.0795","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514594","10.8288","0.0009","13.3096","0.0011","17.347","0.0015","110.42","0.002","93.341","0.002","103.421","0.002","2252.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H62 Cl4 N O3 P Pd S -","- C44 H62 Cl4 N O3 P Pd S -","- C88 H124 Cl8 N2 O6 P2 Pd2 S2 -","2","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0253","0.0236","","","0.0603","0.0612","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514595","15.5569","0.0006","17.0797","0.0007","16.7243","0.0006","90","","94.222","0.001","90","","4431.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 N O5 P Pd S -","- C48 H66 N O5 P Pd S -","- C192 H264 N4 O20 P4 Pd4 S4 -","4","1","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0323","0.0248","","","0.0595","0.0637","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514596","13.9763","0.0014","20.426","0.002","21.29","0.002","75.424","0.002","85.472","0.002","76.307","0.002","5713.9","1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60.5 H52 Cl7 N O3 P2 Pd S -","- C60.4998 H51.9996 Cl6.9996 N O3 P2 Pd S -","- C241.999 H207.998 Cl27.9984 N4 O12 P8 Pd4 S4 -","4","2","","Bruno, Nicholas C.; Tudge, Matthew T.; Buchwald, Stephen L.","Design and Preparation of New Palladium Precatalysts for C-C and C-N Cross-Coupling Reactions.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","3","916","920","10.1039/C2SC20903A","","","0.71073","MoKα","","0.0536","0.0407","","","0.1032","0.1108","","","","","","1.087","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514597","12.572","0.0007","9.3235","0.0005","15.1484","0.0006","90","","90.258","0.004","90","","1775.6","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 I N4 O4 -","- C15 H19 I N4 O4 -","- C60 H76 I4 N16 O16 -","4","1","","Wang, Minyan; Fu, Chunling; Ma, Shengming","Cleavage of oxygen‒sulfur double bonds and carbon‒sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides","Chemical Science","2013","4","3","1016","","10.1039/c2sc21920d","","","0.71073","MoKα","","0.0482","0.0336","","","0.0752","0.0829","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514598","7.1296","0.001","7.4865","0.001","17.896","0.003","87.393","0.002","84.501","0.002","71.105","0.002","899.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 I N4 O4 -","- C17 H15 I N4 O4 -","- C34 H30 I2 N8 O8 -","2","1","","Wang, Minyan; Fu, Chunling; Ma, Shengming","Cleavage of oxygen‒sulfur double bonds and carbon‒sulfur bonds: unusual highly selective electrophilic addition of allenylic sulfoxides","Chemical Science","2013","4","3","1016","","10.1039/c2sc21920d","","","0.71073","MoKα","","0.0355","0.031","","","0.077","0.0799","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514599","10.3467","0.0012","11.3394","0.0013","23.95","0.003","90","","92.079","0.001","90","","2808.1","0.6","160","2","160","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 Cl2 F4 Ir N2 O -","- C31 H22 Cl2 F4 Ir N2 O -","- C124 H88 Cl8 F16 Ir4 N8 O4 -","4","1","","Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G.","Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities","Chemical Science","2013","4","3","1175","","10.1039/c2sc21831c","","","0.71073","MoKα","","0.0199","0.0183","","","0.0414","0.042","","","","","","1.146","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514600","9.7368","0.0006","16.1179","0.001","15.8357","0.001","90","","91.275","0.001","90","","2484.6","0.3","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H19 F4 Ir N2 O -","- C30 H19 F4 Ir N2 O -","- C120 H76 F16 Ir4 N8 O4 -","4","1","","Maity, Ayan; Anderson, Bryce Lane; Deligonul, Nihal; Gray, Thomas G.","Room-temperature synthesis of cyclometalated iridium(iii) complexes: kinetic isomers and reactive functionalities","Chemical Science","2013","4","3","1175","","10.1039/c2sc21831c","","","0.71073","MoKα","","0.0157","0.0137","","","0.033","0.0337","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514601","6.6342","0.0003","7.2435","0.0003","9.0416","0.0004","101.074","0.002","109.754","0.002","99.964","0.001","387.76","0.03","100","","100","","","","","","","","pentane,","3","P -1","-P 1","2","","Title","","- C8 H10 O4 -","- C8 H10 O4 -","- C16 H20 O8 -","2","1","","Huang, Xueliang; Klimczyk, Sebastian; Veiros, Luís F.; Maulide, Nuno","Stereoselective intramolecular cyclopropanation through catalytic olefin activation","Chemical Science","2013","4","3","1105","","10.1039/c2sc21914j","","","1.54184","Cu-Kα","","0.034","0.0334","","","0.0823","0.0828","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514602","9.3855","0.0003","9.7769","0.0003","26.717","0.0007","90","","90","","90","","2451.58","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C64 H120 F48 N16 P8 -","8","1","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","1.54178","CuKα","","0.0368","0.0353","","","0.0988","0.1","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514603","9.4924","0.0005","9.8406","0.0005","26.8817","0.0013","90","","90","","90","","2511","0.2","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C64 H120 F48 N16 P8 -","8","1","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","1.54178","CuKα","","0.0555","0.0482","","","0.1463","0.1551","","","","","","1.124","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514604","9.3869","0.0008","9.5879","0.0008","14.4964","0.0012","98.492","0.005","98.354","0.006","101.089","0.006","1245.85","0.19","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C32 H60 F24 N8 P4 -","4","2","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","0.71073","MoKα","","0.1041","0.0846","","","0.244","0.275","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514605","9.5818","0.0013","9.5826","0.0009","14.5801","0.001","99.219","0.01","99.252","0.006","99.667","0.01","1278.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C32 H60 F24 N8 P4 -","4","2","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","0.56085","AgKα","","0.0896","0.074","","","0.2113","0.2319","","","","","","1.125","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514606","8.8215","0.0008","9.0796","0.0009","9.0381","0.0008","96.671","0.007","114.768","0.006","103.071","0.007","621.82","0.11","263","2","263","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C16 H30 F12 N4 P2 -","2","1","","Saouane, Sofiane; Norman, Sarah E.; Hardacre, Christopher; Fabbiani, Francesca P. A.","Pinning down the solid-state polymorphism of the ionic liquid [bmim][PF6]","Chemical Science","2013","4","3","1270","","10.1039/c2sc21959j","","","0.71073","MoKα","","0.0759","0.0503","","","0.128","0.1448","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514607","4.92063","0.0001","15.6607","0.0004","10.4554","0.0003","90","","99.6328","0.0014","90","","794.34","0.03","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C32 H32 N4 O10 S2 -","2","1","","Iwai, Yuri; Ozaki, Takashi; Takita, Ryo; Uchiyama, Masanobu; Shimokawa, Jun; Fukuyama, Tohru","Modified McFadyen‒Stevens reaction for a versatile synthesis of aliphatic/aromatic aldehydes: design, optimization, and mechanistic investigations","Chemical Science","2013","4","3","1111","","10.1039/c2sc22045h","","","1.54187","CuKα","","","0.0337","","","","0.0951","","","","","","0.487","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514608","12.2352","0.0005","16.6412","0.0007","25.9304","0.0012","76.808","0.003","80.972","0.003","74.261","0.002","4922.1","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H71 F30 N6 O8 S4 -","- C108 H71 F30 N6 O8 S4 -","- C216 H142 F60 N12 O16 S8 -","2","1","","Higashino, Tomohiro; Osuka, Atsuhiro","2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base","Chemical Science","2013","4","3","1087","","10.1039/c2sc21791k","","","1.54187","CuKα","","0.3347","0.1054","","","0.1921","0.2861","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514609","12.2654","0.0002","15.3627","0.0003","24.8758","0.0004","101.432","0.0008","93.5605","0.0008","112.749","0.0008","4186.74","0.13","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H32 Cl4 F30 N6 S4 -","- C75 H32 Cl4 F30 N6 S4 -","- C150 H64 Cl8 F60 N12 S8 -","2","1","","Higashino, Tomohiro; Osuka, Atsuhiro","2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base","Chemical Science","2013","4","3","1087","","10.1039/c2sc21791k","","","1.54187","CuKα","","0.1488","0.1176","","","0.321","0.3743","","","","","","1.268","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514610","16.133","0.0008","7.8286","0.0005","29.837","0.0016","90","","102.318","0.003","90","","3681.6","0.4","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75.78 H37.56 Cl3.56 F30 N6 S4 -","- C75.78 H37.56 Cl3.56 F30 N6 S4 -","- C151.56 H75.12 Cl7.12 F60 N12 S8 -","2","0.5","","Higashino, Tomohiro; Osuka, Atsuhiro","2,3,17,18-Tetraethylsulfanyl [30]hexaphyrin(1.1.1.1.1.1) as the first aromatic isophlorin-type free-base","Chemical Science","2013","4","3","1087","","10.1039/c2sc21791k","","","1.54187","CuKα","","0.1485","0.0784","","","0.1805","0.2316","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514611","16.483","0.0008","19.8976","0.0009","20.2276","0.0009","76.119","0.001","74.622","0.001","81.57","0.001","6185.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C119 H162 F3 Fe5 N17 O41 S Yb3 -","- C101.5 H135.5 F1.5 Fe5 N8.5 O39.5 S0.5 Yb3 -","- C203 H271 F3 Fe10 N17 O79 S Yb6 -","2","1","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.0345","0.0278","","","0.0758","0.0781","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514612","14.2113","0.0009","18.558","0.0013","19.2","0.0012","84.231","0.005","70.788","0.005","83.144","0.005","4737.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C85 H111 Fe4 N7 O29 Yb2 -","- C81 H105 Fe4 N5 O29 Yb2 -","- C162 H210 Fe8 N10 O58 Yb4 -","2","1","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.0906","0.0686","","","0.1752","0.1851","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514613","19.9227","0.0015","19.679","0.0012","22.0382","0.0015","90","","108.184","0.008","90","","8208.8","1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H94 Fe3 N5 O25 Yb2 -","- C72 H94 Fe3 N5 O25 Yb2 -","- C288 H376 Fe12 N20 O100 Yb8 -","4","1","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.1091","0.0547","","","0.1262","0.1534","","","","","","0.981","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514614","14.449","0.002","24.951","0.004","23.76","0.004","90","","101.82","0.002","90","","8384","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H115 Fe4 N7 O27 S2 Yb2 -","- C56 H101 Fe4 N6 O24 S2 Yb2 -","- C224 H404 Fe16 N24 O96 S8 Yb8 -","4","1","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.8","synchrotron","","0.1173","0.0974","","","0.2615","0.2858","","","","","","1.293","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514615","16.553","0.0012","20.5964","0.0013","21.1312","0.0016","108.791","0.005","101.118","0.006","95.993","0.005","6583.9","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C182 H353 Fe10 N51 O90 Yb10 -","- C140 H286 Fe10 N30 O90 Yb10 -","- C140 H286 Fe10 N30 O90 Yb10 -","1","0.5","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.0785","0.0474","","","0.1034","0.1101","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514616","9.898","0.0015","14.2365","0.0015","17.039","0.003","90","","94.369","0.013","90","","2394","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 N2 O14 Yb2 -","- C46 H60 N2 O14 Yb2 -","- C92 H120 N4 O28 Yb4 -","2","0.5","","Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.","Ringing the changes in Feiii/Ybiii cyclic coordination clusters","Chemical Science","2013","4","12","4354","","10.1039/c3sc52041b","","","0.71073","MoKα","","0.0821","0.0484","","","0.1044","0.1104","","","","","","0.983","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514617","32.591","0.003","32.591","0.003","5.1877","0.0005","90","","90","","120","","4772","0.8","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C17 H31 Cl N2 O6 -","- C17 H31 Cl N2 O6 -","- C153 H279 Cl9 N18 O54 -","9","3","","Merkx, Remco; de Bruin, Gerjan; Kruithof, Art; van den Bergh, Toine; Snip, Erwin; Lutz, Martin; El Oualid, Farid; Ovaa, Huib","Scalable synthesis of γ-thiolysine starting from lysine and a side by side comparison with δ-thiolysine in non-enzymatic ubiquitination","Chemical Science","2013","4","12","4494","","10.1039/c3sc51599k","","","1.54184","CuKα","","0.0506","0.0438","","","0.1168","0.1211","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514618","7.5487","0.0004","12.3687","0.0005","13.3085","0.0006","86.885","0.004","79.43","0.004","78.079","0.004","1194.98","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H62 N4 O10 S2 -","- C52 H62 N4 O10 S2 -","- C52 H62 N4 O10 S2 -","1","0.5","","Wu, Guanglu; Verwilst, Peter; Liu, Kai; Smet, Mario; Faul, Charl F. J.; Zhang, Xi","Controlling the self-assembly of cationic bolaamphiphiles: counterion-directed transitions from 0D/1D to exclusively 2D planar structures","Chemical Science","2013","4","12","4486","","10.1039/c3sc52342j","","","0.71073","MoKα","","0.0515","0.0397","","","0.0882","0.0937","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514619","10.8296","0.0002","22.4623","0.0002","24.9069","0.0003","90","","90","","90","","6058.8","0.14","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H88 Mg2 N4 O3 -","- C65 H88 Mg2 N4 O3 -","- C260 H352 Mg8 N16 O12 -","4","1","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","1.54184","CuKα","","0.0286","0.0283","","","0.073","0.0732","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514620","48.559","0.003","13.67","0.0009","17.5247","0.0011","90","","103.46","0.003","90","","11313.4","1.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59 H82 Mg2 N4 O3 -","- C59 H82 Mg2 N4 O3 -","- C472 H656 Mg16 N32 O24 -","8","1","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0948","0.0524","","","0.1137","0.1347","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514621","14.5246","0.0009","15.621","0.0009","25.9215","0.0014","90","","90","","90","","5881.3","0.6","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C60 H82 Mg2 N4 O4 -","- C60 H82 Mg2 N4 O4 -","- C240 H328 Mg8 N16 O16 -","4","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0647","0.0466","","","0.1053","0.1159","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514622","22.886","0.005","14.823","0.003","16.196","0.003","90","","90.65","0.03","90","","5494","1.9","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H84 Mg2 N4 O2 -","- C58 H84 Mg2 N4 O2 -","- C232 H336 Mg8 N16 O8 -","4","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.1761","0.0775","","","0.1822","0.2258","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514623","12.168","0.0013","12.6241","0.0014","13.176","0.002","98.046","0.011","111.433","0.012","109.68","0.01","1692.2","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H104 Mg2 N4 O3 -","- C72 H104 Mg2 N4 O3 -","- C72 H104 Mg2 N4 O3 -","1","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0587","0.0448","","","0.112","0.123","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514624","12.749","0.003","14.372","0.003","18.802","0.004","90","","95.03","0.03","90","","3431.8","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H106 Mg2 N4 O4 -","- C73 H106 Mg2 N4 O4 -","- C146 H212 Mg4 N8 O8 -","2","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0973","0.0786","","","0.2112","0.2273","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514625","14.86","0.003","17.21","0.003","45.3","0.009","90","","90","","90","","11585","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C59 H82 Mg2 N4 O S2 -","- C59 H82 Mg2 N4 O S2 -","- C472 H656 Mg16 N32 O8 S16 -","8","1","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.7108","Synchrotron","","0.1105","0.0989","","","0.2167","0.2218","","","","","","1.22","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514626","12.0374","0.0017","12.0374","0.0017","44.799","0.009","90","","90","","120","","5621.7","1.6","123","2","123","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C83 H116 Mg2 N6 O -","- C83 H116 Mg2 N6 O -","- C249 H348 Mg6 N18 O3 -","3","0.5","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0457","0.0389","","","0.0868","0.09","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514627","13.1816","0.0005","16.205","0.0006","31.9827","0.0011","79.216","0.003","83.332","0.003","68.828","0.003","6249.3","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H92 Mg2 N4 O2 S2 -","- C63 H92 Mg2 N4 O2 S2 -","- C252 H368 Mg8 N16 O8 S8 -","4","2","","Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron","The reductive disproportionation of CO2 using a magnesium(i) complex: analogies with low valent f-block chemistry","Chemical Science","2013","4","12","4383","","10.1039/c3sc52242c","","","0.71073","MoKα","","0.0827","0.0511","","","0.1042","0.1186","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514628","8.6436","0.0003","12.2137","0.0004","10.588","0.0003","90","","100.721","0.002","90","","1098.27","0.06","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 N O3 S -","- C26 H23 N O3 S -","- C52 H46 N2 O6 S2 -","2","1","","Nishimura, Takahiro; Nagamoto, Midori; Ebe, Yusuke; Hayashi, Tamio","Enantioselective [3 + 2] annulation via C‒H activation between cyclic N-acyl ketimines and 1,3-dienes catalyzed by iridium/chiral diene complexes","Chemical Science","2013","4","12","4499","","10.1039/c3sc52379a","","","1.54187","CuKα","","0.0844","0.0592","","","0.1455","0.1877","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514629","11.2358","0.0013","9.1056","0.001","15.9131","0.0018","90","","104.579","0.0042","90","","1575.6","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O4 -","- C15 H16 N4 O4 -","- C60 H64 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.016","","3.11","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514630","11.30697","0.00076","9.06586","0.00042","15.94455","0.00091","90","","105.28","0.0033","90","","1576.66","0.16","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F N4 O4 -","- C15 H15 F N4 O4 -","- C60 H60 F4 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.017","","5.01","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514631","8.78113","0.00087","10.06607","0.00056","10.5609","0.0014","105.871","0.0058","72.7172","0.0063","71.1516","0.0063","769.83","0.16","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 F N4 O4 -","- C15 H15 F N4 O4 -","- C30 H30 F2 N8 O8 -","2","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.021","","7.53","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514632","11.39598","0.00091","9.15968","0.00051","15.8701","0.0012","90","","104.025","0.0043","90","","1607.2","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N4 O4 -","- C15 H14 F2 N4 O4 -","- C60 H56 F8 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.022","","6.67","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514633","11.36104","0.00082","9.11522","0.00046","15.8828","0.0013","90","","101.777","0.0041","90","","1610.2","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N4 O4 -","- C15 H14 F2 N4 O4 -","- C60 H56 F8 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.021","","5.28","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514634","11.33562","0.00074","9.12362","0.00042","15.9442","0.0011","90","","104.26","0.0039","90","","1598.17","0.17","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F2 N4 O4 -","- C15 H14 F2 N4 O4 -","- C60 H56 F8 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.019","","5.12","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514635","14.263","0.0011","8.13716","0.00048","16.0129","0.0016","90","","121.214","0.0035","90","","1589.4","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 F4 N4 O4 -","- C15 H12 F4 N4 O4 -","- C60 H48 F16 N16 O16 -","4","1","","Bučar, Dejan-Krešimir; Day, Graeme M.; Halasz, Ivan; Zhang, Geoff G. Z.; Sander, John R. G.; Reid, David G.; MacGillivray, Leonard R.; Duer, Melinda J.; Jones, William","The curious case of (caffeine)·(benzoic acid): how heteronuclear seeding allowed the formation of an elusive cocrystal","Chemical Science","2013","4","12","4417","","10.1039/c3sc51419f","powder diffraction","","1.5418","CuKα","","","","","","","","0.017","","5.01","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514636","13.2146","0.0001","8.7249","0.0001","26.334","0.0002","90","","98.44","","90","","3003.32","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 N4 S4 -","- C36 H20 N4 S4 -","- C144 H80 N16 S16 -","4","1","","Mouri, Kazuhiro; Saito, Shohei; Hisaki, Ichiro; Yamaguchi, Shigehiro","Thermal 8π electrocyclic reaction of heteroarene tetramers: new efficient access to π-extended cyclooctatetraenes","Chemical Science","2013","4","12","4465","","10.1039/c3sc52232f","","","0.8","synchrotron","","0.0746","0.073","","","0.2169","0.2177","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514637","11.042","0.002","32.589","0.007","14.243","0.003","90","","100.66","0.03","90","","5036.9","1.8","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 B2 F12 N10 O Rh2 -","- C42 H46 B2 F12 N10 O Rh2 -","- C168 H184 B8 F48 N40 O4 Rh8 -","4","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0852","0.0587","","","0.1314","0.1435","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514638","14.135","0.003","21.331","0.004","31.17","0.006","90","","90","","90","","9398","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 B2 F8 N12 Rh2 -","- C40 H46 B2 F8 N12 Rh2 -","- C320 H368 B16 F64 N96 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0793","0.059","","","0.1524","0.1764","","","","","","1.193","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514639","14.338","0.003","21.619","0.004","31.136","0.006","90","","90","","90","","9651","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H48 B2 F8 N10 Rh2 -","- C42 H48 B2 F8 N10 Rh2 -","- C336 H384 B16 F64 N80 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0374","0.0262","","","0.059","0.066","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514640","11.11","0.002","31.777","0.006","14.195","0.003","90","","101.13","0.03","90","","4917.2","1.7","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 B2 F12 N10 O Rh2 -","- C42 H46 B2 F12 N10 O Rh2 -","- C168 H184 B8 F48 N40 O4 Rh8 -","4","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.048","0.0374","","","0.0914","0.0982","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514641","14.126","0.003","21.399","0.004","31.434","0.006","90","","90","","90","","9502","3","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H46 B2 F8 N12 Rh2 -","- C40 H46 B2 F8 N12 Rh2 -","- C320 H368 B16 F64 N96 Rh16 -","8","1","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.068","0.0443","","","0.101","0.1133","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514642","22.272","0.004","22.161","0.004","22.409","0.004","90","","119.43","0.03","90","","9633","4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 B2 F8 N6 P2 Rh2 -","- C48 H46 B2 F8 N6 P2 Rh2 -","- C384 H368 B16 F64 N48 P16 Rh16 -","8","2","","Li, Zhanyong; Chifotides, Helen T.; Dunbar, Kim R.","Unprecedented partial paddlewheel dirhodium methyl isocyanide compounds with unusual structural and electronic properties: a comprehensive experimental and theoretical study","Chemical Science","2013","4","12","4470","","10.1039/c3sc51641e","","","0.71073","MoKα","","0.0459","0.0328","","","0.0899","0.0977","","","","","","1.06","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514643","16.0527","0.0003","5.5303","0.0001","20.7663","0.0007","90","","115.425","0.002","90","","1665","0.08","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O -","- C22 H20 O -","- C88 H80 O4 -","4","1","","Franzoni, Ivan; Guénée, Laure; Mazet, Clément","Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes","Chemical Science","2013","4","6","2619","","10.1039/c3sc50806d","","","1.54184","CuKα","","0.0401","0.0365","","","0.099","0.1022","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514644","9.79459","0.00015","10.18235","0.00018","34.1007","0.0007","90","","90","","90","","3400.93","0.11","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","1","","Franzoni, Ivan; Guénée, Laure; Mazet, Clément","Access to congested quaternary centers by Pd-catalyzed intermolecular γ-arylation of unactivated α,β-unsaturated aldehydes","Chemical Science","2013","4","6","2619","","10.1039/c3sc50806d","","","1.54184","CuKα","","0.051","0.0481","","","0.1294","0.132","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514645","11.663","0.004","5.822","0.002","21.566","0.008","90","","100.89","0.02","90","","1438","0.9","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H27 Br F3 N O8 S -","- C28 H27 Br F3 N O8 S -","- C56 H54 Br2 F6 N2 O16 S2 -","2","1","","Zhang, Wei; Liu, Na; Schienebeck, Casi M.; Zhou, Xin; Izhar, Izarin I.; Guzei, Ilia A.; Tang, Weiping","Enantioselective intermolecular bromoesterification of allylic sulfonamides","Chemical Science","2013","4","6","2652","","10.1039/c3sc50446h","","","1.54178","CuKα","","0.026","0.0258","","","0.0645","0.0646","","","","","","1.07","","","","has coordinates,has disorder","288505","2023-12-22","15:12:00",""
"1514646","6.9645","0.0004","25.7559","0.0015","9.9824","0.0006","90","","99.152","0.001","90","","1767.82","0.18","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H13 F2 N4 O3 Pt -","- C19 H13 F2 N4 O3 Pt -","- C76 H52 F8 N16 O12 Pt4 -","4","1","","Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming","Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors","Chemical Science","2013","4","6","2630","","10.1039/c3sc21822h","","","1.54178","CuKα","","0.057","0.0568","","","0.1501","0.1503","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514647","11.5589","0.0009","8.2655","0.0007","22.3063","0.0015","90","","111.907","0.004","90","","1977.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl2 F2 N4 O2 Pt -","- C20 H14 Cl2 F2 N4 O2 Pt -","- C80 H56 Cl8 F8 N16 O8 Pt4 -","4","1","","Li, Kai; Cheng, Gang; Ma, Chensheng; Guan, Xiangguo; Kwok, Wai-Ming; Chen, Yong; Lu, Wei; Che, Chi-Ming","Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors","Chemical Science","2013","4","6","2630","","10.1039/c3sc21822h","","","1.54178","CuKα","","0.0816","0.0744","","","0.2267","0.2377","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514648","8.1851","0.0004","8.5344","0.0005","13.5521","0.0009","94.129","0.005","99.175","0.004","114.976","0.004","836.84","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","DPAP","","","- C20.5 H13 Cl N3 -","- C20.5 H13 Cl N3 -","- C41 H26 Cl2 N6 -","2","1","","Koenig, Matthias; Bottari, Giovanni; Brancato, Giuseppe; Barone, Vincenzo; Guldi, Dirk M.; Torres, Tomás","Unraveling the peculiar modus operandi of a new class of solvatochromic fluorescent molecular rotors by spectroscopic and quantum mechanical methods","Chemical Science","2013","4","6","2502","","10.1039/c3sc50290b","","","1.54178","","","0.0663","0.0598","","","0.1614","0.1682","","","","","","1.063","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514649","5.0348","0.0004","14.3242","0.0009","15.1715","0.001","115.546","0.005","90.919","0.006","98.363","0.006","972.89","0.13","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H28 O6 -","- C22 H28 O6 -","- C44 H56 O12 -","2","1","","Riener, Michelle; Nicewicz, David A.","Synthesis of cyclobutane lignans via an organic single electron oxidant-electron relay system.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","6","2625","","10.1039/C3SC50643F","","","1.54178","CuKα","","0.1219","0.0622","","","0.1319","0.1578","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514650","21.267","0.002","11.483","0.0013","26.049","0.003","90","","111.875","0.002","90","","5903.4","1.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H95 Fe N10 O6 -","- C54 H83 Fe N10 O6 -","- C216 H332 Fe4 N40 O24 -","4","2","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.1395","0.0846","","","0.2127","0.2525","","","","","","1.028","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514651","21.346","0.005","12.362","0.005","12.855","0.004","90","","120.033","0.013","90","","2936.7","1.7","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 B2 Co F8 N5 O -","- C29 H27 B2 Co F8 N5 O -","- C116 H108 B8 Co4 F32 N20 O4 -","4","0.5","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.0358","0.0314","","","0.0821","0.0842","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514652","10.9398","0.0012","22.107","0.003","16.8809","0.0019","90","","92.003","0.006","90","","4080.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 F0 Fe N8 O -","- C22 H13 Fe N8 O -","- C176 H104 Fe8 N64 O8 -","8","2","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.0912","0.0513","","","0.1327","0.1563","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514653","13.5995","0.001","14.2091","0.001","24.965","0.0019","90","","103.148","0.003","90","","4697.7","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C107 H92 Co2 Fe2 N26 O5 -","- C107 H80 Co2 Fe2 N26 O5 -","- C214 H160 Co4 Fe4 N52 O10 -","2","0.5","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.0565","0.05","","","0.1331","0.1364","","","","","","1.125","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514654","13.6545","0.0015","14.348","0.0017","25.328","0.003","90","","102.313","0.005","90","","4848","1","370","2","370","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C107 H92 Co2 Fe2 N26 O5 -","- C107 H72 Co2 Fe2 N26 O5 -","- C214 H144 Co4 Fe4 N52 O10 -","2","0.5","","Jeon, Ie-Rang; Calancea, Sergiu; Panja, Anangamohan; Piñero Cruz, Dalice M.; Koumousi, Evangelia S.; Dechambenoit, Pierre; Coulon, Claude; Wattiaux, Alain; Rosa, Patrick; Mathonière, Corine; Clérac, Rodolphe","Spin crossover or intra-molecular electron transfer in a cyanido-bridged Fe/Co dinuclear dumbbell: a matter of state","Chemical Science","2013","4","6","2463","","10.1039/c3sc22069a","","","0.71073","MoKα","","0.0658","0.0511","","","0.1266","0.1356","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514655","9.9184","0.0002","20.5507","0.0004","17.2472","0.0004","90","","101.677","0.002","90","","3442.74","0.13","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H17 B F15 P -","- C39 H17 B F15 P -","- C156 H68 B4 F60 P4 -","4","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","0.71073","MoKα","","0.0506","0.0422","","","0.0996","0.1068","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514656","8.3314","0.0003","23.9142","0.0009","14.7962","0.0009","90","","90.618","0.004","90","","2947.8","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 B F10 P -","- C34 H20 B F10 P -","- C136 H80 B4 F40 P4 -","4","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.0695","0.0505","","","0.1212","0.1368","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514657","13.8351","0.0008","11.5678","0.0008","30.569","0.003","90","","101.896","0.007","90","","4787.2","0.6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 B F15 N P -","- C44 H26 B F15 N P -","- C176 H104 B4 F60 N4 P4 -","4","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.0858","0.0702","","","0.1936","0.2077","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514658","10.1806","0.0005","10.4896","0.0003","17.7612","0.0008","94.693","0.003","95.33","0.005","112.36","0.003","1732.34","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H29 B F10 N P -","- C39 H29 B F10 N P -","- C78 H58 B2 F20 N2 P2 -","2","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.0454","0.0416","","","0.105","0.1085","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514659","17.6472","0.0007","14.6343","0.0004","18.4267","0.0007","90","","103.288","0.002","90","","4631.4","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H30 B Cl4 F15 N P -","- C46 H30 B Cl4 F15 N P -","- C184 H120 B4 Cl16 F60 N4 P4 -","4","1","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.113","0.0898","","","0.2467","0.2724","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514660","39.1199","0.0004","16.3061","0.0002","23.4811","0.0004","90","","97.421","0.001","90","","14853","0.3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H30 B Cl F10 N P -","- C39.5 H30 B Cl F10 N P -","- C632 H480 B16 Cl16 F160 N16 P16 -","16","2","","Ekkert, Olga; Miera, Greco González; Wiegand, Thomas; Eckert, Hellmut; Schirmer, Birgitta; Petersen, Jeffrey L.; Daniliuc, Constantin G.; Fröhlich, Roland; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Remarkable coordination behavior of alkyl isocyanides toward unsaturated vicinal frustrated P/B Lewis pairs","Chemical Science","2013","4","6","2657","","10.1039/c3sc00082f","","","1.54178","CuKα","","0.0592","0.0531","","","0.1445","0.1498","","","","","","1.05","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514661","11.8916","0.0003","15.4391","0.0004","17.7101","0.0005","90","","90","","90","","3251.5","0.15","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H30 Br3 N O4 S -","- C34 H30 Br3 N O4 S -","- C136 H120 Br12 N4 O16 S4 -","4","1","","Chen, Xingkuan; Fang, Xinqiang; Chi, Yonggui Robin","cis-Enals in N-heterocyclic carbene-catalyzed reactions: distinct stereoselectivity and reactivity","Chemical Science","2013","4","6","2613","","10.1039/c3sc50666e","","","0.71073","MoKα","","0.0997","0.0493","","","0.103","0.1378","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514662","8.5561","0.0012","28.71","0.004","29.726","0.004","90","","90","","90","","7302.1","1.7","173.2","","173.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 Cl6 Ir N2 O3 -","- C32 H37 Cl6 Ir N2 O3 -","- C256 H296 Cl48 Ir8 N16 O24 -","8","2","","Owens, Clayton P.; Varela-Álvarez, Adrián; Boyarskikh, Vyacheslav; Musaev, Djamaladdin G.; Davies, Huw M. L.; Blakey, Simon B.","Iridium(iii)-bis(oxazolinyl)phenyl catalysts for enantioselective C‒H functionalization","Chemical Science","2013","4","6","2590","","10.1039/c3sc50886b","","","0.71073","MoKα","","0.0558","0.0465","","","0.1062","0.1102","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514663","6.6609","0.0002","9.7886","0.0005","18.8033","0.0008","90","","106.893","0.003","90","","1173.09","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F2 O -","- C15 H10 F2 O -","- C60 H40 F8 O4 -","4","1","","Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard","Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system","Chemical Science","2013","4","6","2418","","10.1039/c3sc50725d","","","0.71073","MoKα","","0.0536","0.0389","","","0.0976","0.107","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514664","5.8262","0.0002","21.4617","0.0013","9.2279","0.0004","90","","95.017","0.003","90","","1149.44","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O -","- C15 H12 O -","- C60 H48 O4 -","4","1","","Agabekov, Vladislav; Seiche, Wolfgang; Breit, Bernhard","Rhodium-catalyzed hydroformylation of alkynes employing a self-assembling ligand system","Chemical Science","2013","4","6","2418","","10.1039/c3sc50725d","","","0.71073","MoKα","","0.0703","0.0417","","","0.0969","0.1105","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514665","14.0847","0.0011","15.7003","0.0012","25.3994","0.0019","90","","91.481","0.002","90","","5614.8","0.7","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H54 F6 N O10 P -","- C55 H54 F6 N O10 P -","- C220 H216 F24 N4 O40 P4 -","4","1","","Suresh, Moorthy; Mandal, Amal Kumar; Suresh, E.; Das, Amitava","First demonstration of two-step FRET in a synthetic supramolecular assembly","Chemical Science","2013","4","6","2380","","10.1039/c3sc50282a","","","0.71073","MoKα","","0.1771","0.1183","","","0.293","0.3256","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514666","23.095","0.01","4.8656","0.0017","18.761","0.008","90","","122.671","0.005","90","","1774.6","1.2","103","2","103","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 -","- C28 H18 -","- C112 H72 -","4","0.5","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.079","0.0645","","","0.1576","0.169","","","","","","1.124","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514667","8.283","0.009","12.769","0.018","13.17","0.02","80.39","0.09","77.65","0.11","71.77","0.1","1285","3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H14 F12 -","- C32 H14 F12 -","- C64 H28 F24 -","2","1","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.176","0.1086","","","0.2672","0.3426","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514668","14.463","0.008","15.645","0.009","17.602","0.01","107.771","0.01","98.2863","0.0012","105.005","0.01","3554","3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H25 O4 -","- C32 H25 O4 -","- C192 H150 O24 -","6","3","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.1944","0.1158","","","0.2795","0.3452","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514669","11.38","0.003","8.787","0.002","15.36","0.005","90","","111.613","0.003","90","","1428","0.7","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 O8 -","- C36 H34 O8 -","- C72 H68 O16 -","2","0.5","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.1671","0.1478","","","0.4388","0.4444","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514670","17.55","0.005","7.302","0.0018","18.848","0.005","90","","94.759","0.005","90","","2407","1.1","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 F6 O2 -","- C32 H20 F6 O2 -","- C128 H80 F24 O8 -","4","1","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.1171","0.0671","","","0.1506","0.1803","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514671","10.094","0.006","12.055","0.007","19.805","0.011","81.395","0.02","80.7","0.02","89.36","0.02","2351","2","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","2","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.2815","0.1334","","","0.302","0.4027","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514672","11.675","0.003","5.0054","0.0008","14.303","0.003","90","","98.451","0.012","90","","826.8","0.3","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 O4 -","- C22 H18 O4 -","- C44 H36 O8 -","2","0.5","","Maekawa, Takehisa; Segawa, Yasutomo; Itami, Kenichiro","C‒H activation route to dibenzo[a,e]pentalenes: annulation of arylacetylenes promoted by PdCl2‒AgOTf‒o-chloranil","Chemical Science","2013","4","6","2369","","10.1039/c3sc50585e","","","0.7107","MoKα","","0.0751","0.0628","","","0.1517","0.1671","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514673","10.4133","0.0003","12.3601","0.0004","16.6001","0.0006","111.7","0.002","102.333","0.002","93.499","0.002","1916.15","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H15 F3 O3 -","- C12 H15 F3 O3 -","- C72 H90 F18 O18 -","6","3","","Lu, Deng-Fu; Zhu, Cheng-Liang; Xu, Hao","Copper(i)-catalyzed diastereoselective hydroxytrifluoromethylation of dienes accelerated by phosphine ligands","Chemical Science","2013","4","6","2478","","10.1039/c3sc50582k","","","1.54178","CuKα","","0.1287","0.1206","","","0.4204","0.4381","","","","","","2.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514674","6.7008","0.0002","14.8959","0.0006","16.9986","0.0006","90","","93.806","0.003","90","","1692.96","0.1","292.05","0.1","292.05","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 F N O S -","- C20 H20 F N O S -","- C80 H80 F4 N4 O4 S4 -","4","1","","Zhang, Gen; Ma, Yunxia; Wang, Shoulei; Kong, Weidong; Wang, Rui","Chiral organic contact ion pairs in metal-free catalytic enantioselective oxidative cross-dehydrogenative coupling of tertiary amines to ketones","Chemical Science","2013","4","6","2645","","10.1039/c3sc50604e","","","0.7107","MoKα","","0.0842","0.054","","","0.1522","0.1823","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514675","8.3008","0.0006","10.0109","0.0008","10.1613","0.0006","76.211","0.006","79.041","0.006","87.821","0.006","805.07","0.1","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 N3 S -","- C20 H13 N3 S -","- C40 H26 N6 S2 -","2","1","","Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo","Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes","Chemical Science","2013","4","5","1964","","10.1039/c3sc22241a","","","0.7107","MoKα","","0.0814","0.0495","","","0.1013","0.1215","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514676","22.2937","0.0004","22.2937","0.0004","8.766","0.0002","90","","90","","90","","4356.78","0.15","293","2","293.15","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C22 H23 Cl N3 Rh -","- C22 H23 Cl N3 Rh -","- C176 H184 Cl8 N24 Rh8 -","8","1","","Qin, Xurong; Liu, Hu; Qin, Dekun; Wu, Qian; You, Jingsong; Zhao, Dongbing; Guo, Qiang; Huang, Xiaolei; Lan, Jingbo","Chelation-assisted Rh(iii)-catalyzed C2-selective oxidative C‒H/C‒H cross-coupling of indoles/pyrroles with heteroarenes","Chemical Science","2013","4","5","1964","","10.1039/c3sc22241a","","","0.7107","MoKα","","0.0396","0.0319","","","0.0748","0.0788","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514677","11.3782","0.0002","12.8716","0.0002","13.5328","0.0003","103.493","0.0016","91.2746","0.0016","90.1766","0.0016","1926.7","0.06","180","2","180","","","","","","","","","6","P 1","P 1","1","","","","- C40 H54 I N3 O Pd -","- C40 H54 I N3 O Pd -","- C80 H108 I2 N6 O2 Pd2 -","2","2","","Larionov, Evgeny; Nakanishi, Masafumi; Katayev, Dmitry; Besnard, Céline; Kündig, E. Peter","Scope and mechanism of asymmetric C(sp3)‒H/C(Ar)‒X coupling reactions: computational and experimental study","Chemical Science","2013","4","5","1995","","10.1039/c3sc00098b","","","0.7107","MoKα","","0.0295","0.0265","","","0.0596","0.0618","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514678","6.2501","0.0001","10.0275","0.0002","30.1617","0.0007","90","","90","","90","","1890.32","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Cl3 I N O -","- C18 H15 Cl3 I N O -","- C72 H60 Cl12 I4 N4 O4 -","4","1","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","0.71073","MoKα","","0.0241","0.0206","","","0.0371","0.0378","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514679","25.646","0.003","6.3769","0.0007","10.8278","0.0011","90","","112.766","0.001","90","","1632.8","0.3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C13 H13 Cl3 I N O2 -","- C13 H13 Cl3 I N O2 -","- C52 H52 Cl12 I4 N4 O8 -","4","1","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","0.71073","MoKα","","0.0337","0.0285","","","0.06","0.0621","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514680","9.9921","0.0004","17.5041","0.0006","18.6434","0.0007","90","","90","","90","","3260.8","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 Cl4 F I N O -","- C12 H11 Cl4 F I N O -","- C96 H88 Cl32 F8 I8 N8 O8 -","8","2","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","1.54178","CuKα","","0.0678","0.056","","","0.1359","0.1442","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514681","11.2235","0.0016","11.7597","0.0017","20.531","0.003","90","","90","","90","","2709.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H11 Cl3 N2 O -","- C13 H11 Cl3 N2 O -","- C104 H88 Cl24 N16 O8 -","8","2","","Brindle, Cheyenne S.; Yeung, Charles S.; Jacobsen, Eric N.","Chiral β-Iodoamines by Urea-Catalyzed Iodocyclization of Trichloroacetimidates.","Chemical sciences journal","2013","4","5","2100","","10.1039/C3SC50410G","","","0.71073","MoKα","","0.0386","0.0298","","","0.0578","0.0608","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514682","11.741","0.003","12.62","0.003","15.891","0.004","90","","90","","90","","2354.6","1","93","","93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Cl N2 O S -","- C28 H27 Cl N2 O S -","- C112 H108 Cl4 N8 O4 S4 -","4","1","","Robinson, Emily R. T.; Fallan, Charlene; Simal, Carmen; Slawin, Alexandra M. Z.; Smith, Andrew D.","Anhydrides as α,β-unsaturated acyl ammonium precursors: isothiourea-promoted catalytic asymmetric annulation processes","Chemical Science","2013","4","5","2193","","10.1039/c3sc50199j","","","0.71075","MoKα","","","0.0499","","","","0.1148","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514683","11.5246","0.0006","12.6819","0.0007","17.2832","0.0009","68.867","0.002","84.99","0.003","77.05","0.003","2296.1","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C44 H28 Cl3 F20 N O4 P Rh -","- C44 H30 Cl3 F20 N O4 P Rh -","- C88 H60 Cl6 F40 N2 O8 P2 Rh2 -","2","1","","Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav","Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","5","2062","2070","10.1039/C3SC50271F","","","0.71073","MoKα","","0.0742","0.0495","","","0.1323","0.1536","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514684","10.4903","0.001","14.3946","0.0014","15.5781","0.0015","78.012","0.003","84.045","0.003","72.01","0.004","2186.6","0.4","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C44 H28 Cl F23 N O7 P Rh S -","- C44.054 H28.108 F23 N1.027 O7 P Rh S -","- C88.108 H56.216 F46 N2.054 O14 P2 Rh2 S2 -","2","1","","Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav","Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","5","2062","2070","10.1039/C3SC50271F","","","0.71073","MoKα","","0.0623","0.043","","","0.1191","0.1524","","","","","","1.142","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514685","11.7155","0.0004","12.1131","0.0004","18.2303","0.0006","70.901","0.002","89.025","0.002","83.198","0.002","2426.82","0.14","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C50 H33 F20 N O7 P Rh S -","- C50 H35 F20 N O7 P Rh S -","- C100 H70 F40 N2 O14 P2 Rh2 S2 -","2","1","","Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav","Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","5","2062","2070","10.1039/C3SC50271F","","","0.71073","MoKα","","0.0782","0.0457","","","0.1109","0.1451","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514686","13.4123","0.0005","14.8876","0.0006","16.7728","0.0007","94.268","0.002","90.34","0.002","97.344","0.002","3312.1","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H52 Co F20 N2 O7 P -","- C54 H52 Co F20 N2 O7 P -","- C108 H104 Co2 F40 N4 O14 P2 -","2","1","","Dalton, Derek M.; Rappé, Anthony K; Rovis, Tomislav","Perfluorinated Taddol Phosphoramidite as an L,Z-Ligand on Rh(I) and Co(-I): Evidence for Bidentate Coordination via Metal-C6F5 Interaction.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","5","2062","2070","10.1039/C3SC50271F","","","0.71073","MoKα","","0.1172","0.0571","","","0.1458","0.1645","","","","","","0.934","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514687","10.3948","0.0005","12.9525","0.0006","25.0752","0.0013","90","","92.424","0.003","90","","3373.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H48 Cl N3 O2 -","- C35 H48 Cl N3 O2 -","- C140 H192 Cl4 N12 O8 -","4","1","","Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E.","Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene","Chemical Science","2013","4","5","2117","","10.1039/c3sc22171g","","","0.71073","MoKα","","0.0844","0.0545","","","0.0731","0.0742","","","","","","2.4","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1514688","8.9329","0.0003","15.3817","0.0005","16.3064","0.0006","79.606","0.002","81.358","0.002","75.254","0.002","2118.34","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H53 B2 F8 N3 O3 -","- C39 H53 B2 F8 N3 O3 -","- C78 H106 B4 F16 N6 O6 -","2","1","","Despagnet-Ayoub, Emmanuelle; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Henling, Lawrence M.; Day, Michael W.; Labinger, Jay A.; Bercaw, John E.","Unexpected rearrangements in the synthesis of an unsymmetrical tridentate dianionic N-heterocyclic carbene","Chemical Science","2013","4","5","2117","","10.1039/c3sc22171g","","","0.71073","MoKα","","0.1344","0.084","","","0.1135","0.1147","","","","","","4.929","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1514689","12.2674","0.0012","13.4426","0.0014","19.906","0.002","83.633","0.009","76.942","0.009","65.569","0.01","2910.8","0.6","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C79 H48 Cl5 -","- C79 Cl5 -","- C158 Cl10 -","2","1","","Xiao, Shengxiong; Kang, Seok Ju; Wu, Ying; Ahn, Seokhoon; Kim, Jong Bok; Loo, Yueh-Lin; Siegrist, Theo; Steigerwald, Michael L.; Li, Hexing; Nuckolls, Colin","Supersized contorted aromatics","Chemical Science","2013","4","5","2018","","10.1039/c3sc50374g","","","0.71073","MoKα","","0.2278","0.0927","","0.3041","0.2025","0.3041","","","","","","1.8274","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514690","8.796","0.001","8.8679","0.0007","10.3885","0.0009","75.311","0.007","80.306","0.009","71.263","0.01","738.95","0.13","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H23 N O2 -","- C16 H23 N O2 -","- C32 H46 N2 O4 -","2","1","","Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier","Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines","Chemical Science","2013","4","5","2241","","10.1039/c3sc50428j","","","1.5418","CuKα","","0.0742","0.0704","","0.1963","0.1905","0.1963","","","","","","0.9627","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514691","9.7796","0.0003","10.0791","0.0003","21.9689","0.0005","90","","96.101","0.002","90","","2153.2","0.1","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 F3 N O2 -","- C24 H28 F3 N O2 -","- C96 H112 F12 N4 O8 -","4","1","","Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier","Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines","Chemical Science","2013","4","5","2241","","10.1039/c3sc50428j","","","1.5418","CuKα","","0.0424","0.0406","","0.0813","0.0796","0.0813","","","","","","1.0227","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514692","10.7367","0.0008","11.183","0.0005","16.106","0.0007","76.241","0.004","75.622","0.005","77.643","0.005","1794.66","0.18","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C80 H116 N4 O8 -","4","2","","Millet, Anthony; Larini, Paolo; Clot, Eric; Baudoin, Olivier","Ligand-controlled β-selective C(sp3)‒H arylation of N-Boc-piperidines","Chemical Science","2013","4","5","2241","","10.1039/c3sc50428j","","","1.5418","CuKα","","0.0528","0.0434","","0.1159","0.1072","0.1159","","","","","","1.0246","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514693","8.953","0.002","9.856","0.002","14.208","0.003","89.921","0.017","72.269","0.017","70.983","0.017","1122.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","tert-Butyl-2-(4-bromophenyl)-2-cyano-2-(3-oxocyclohexyl)acetate","","- C21 H27 Br N O3.5 -","- C21 H27 Br N O3.5 -","- C42 H54 Br2 N2 O7 -","2","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.1601","0.08","","","0.1409","0.1622","","","","","","1.044","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514694","28.468","0.005","6.5087","0.0019","10.903","0.002","90","","101.161","0.017","90","","1982","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(R)-tert-Butyl-2-(4-bromophenyl)-2-cyano-2-((R)-2-oxooxepan-4-yl)acetate","","- C19 H22 Br N O4 -","- C19 H22 Br N O4 -","- C76 H88 Br4 N4 O16 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.0986","0.0667","","","0.1444","0.1602","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514695","16.349","0.003","11.424","0.003","20.499","0.005","90","","90","","90","","3828.6","1.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","tert-Butyl-2-cyano-2-(3-hydroxycyclohexyl)-2-(4-methoxyphenyl)acetate","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C160 H216 N8 O32 -","8","2","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.16","0.0787","","","0.1325","0.1553","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514696","13.807","0.003","9.648","0.002","15.895","0.003","90","","95.425","0.016","90","","2107.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tert-Butyl-2-(4-chlorophenyl)-2-cyano-2-(6,6-dimethyl-2-oxooxepan-4-yl)acetate","","- C21 H26 Cl N O4 -","- C21 H26 Cl N O4 -","- C84 H104 Cl4 N4 O16 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.1831","0.0912","","","0.1749","0.198","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514697","12.2391","0.0011","13.5132","0.0011","12.6257","0.0011","90","","118.77","0.004","90","","1830.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tert-Butyl-2-(4-chlorophenyl)-2-cyano-2-(3-oxocyclohexyl)acetate","","- C19 H22 Cl N O3 -","- C19 H22 Cl N O3 -","- C76 H88 Cl4 N4 O12 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.0485","0.0383","","","0.0955","0.0989","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514698","19.981","0.002","10.4357","0.0012","20.133","0.002","90","","104.963","0.007","90","","4055.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","tert-Butyl-2-(4-bromophenyl)-2-cyano-2-(3,3-dimethyl-5-oxocyclo-hexyl)acetate","","- C21 H26 Br N O3 -","- C21 H26 Br N O3 -","- C168 H208 Br8 N8 O24 -","8","2","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","0.71073","MoKα","","0.1147","0.0622","","","0.124","0.1349","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514699","9.0052","0.0005","19.3148","0.0011","11.0511","0.0007","90","","110.477","0.002","90","","1800.7","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl-2-cyano-2-(3-hydroxycyclohexyl)-2-phenylacetate","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0379","0.0365","","","0.0877","0.0889","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514700","8.2536","0.0003","12.3017","0.0005","17.9593","0.0007","90","","90","","90","","1823.47","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-tert-Butyl-2-cyano-2-((1R,3S)-3-hydroxycyclohexyl)-2-phenylacetate","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0343","0.025","","","0.0637","0.064","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514701","9.4884","0.0004","7.3139","0.0003","12.2804","0.0006","90","","105.801","0.002","90","","820.02","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-5-((1R,3S)-3-Methoxycyclohexyl)-5-phenylimidazolidine-2,4-dione","","- C16 H20 N2 O3.33 -","- C16 H20 N2 O3.33 -","- C32 H40 N4 O6.66 -","2","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0275","0.0269","","","0.0688","0.0694","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514702","10.7474","0.0007","7.1883","0.0005","12.3435","0.0008","90","","112.278","0.002","90","","882.42","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","compound (S,R,S)-7","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C38 H54 N2 O8 -","2","1","","Eitel, Simon H.; Jautze, Sascha; Frey, Wolfgang; Peters, René","Asymmetric Michael additions of α-cyanoacetates by soft Lewis acid/hard Brønsted acid catalysis: stereodivergency with bi- vs. monometallic catalysts","Chemical Science","2013","4","5","2218","","10.1039/c3sc50419k","","","1.54178","CuKα","","0.0251","0.025","","","0.0662","0.0664","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514703","29.7078","0.0006","13.6826","0.0004","21.4688","0.0006","90","","114.327","0.0015","90","","7951.8","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 B F15 O2 Sc -","- C42 H34 B F15 O2 Sc -","- C336 H272 B8 F120 O16 Sc8 -","8","1","","Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile","Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide","Chemical Science","2013","4","5","2152","","10.1039/c3sc50145k","","","0.71073","MoKα","","0.0888","0.0612","","","0.1181","0.1349","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514704","13.9542","0.0003","16.0174","0.0005","17.9508","0.0005","90","","97.5764","0.0015","90","","3977.16","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 B F15 Sc -","- C42 H36 B F15 Sc -","- C168 H144 B4 F60 Sc4 -","4","1","","Berkefeld, Andreas; Piers, Warren E.; Parvez, Masood; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile","Decamethylscandocinium-hydrido-(perfluorophenyl)borate: fixation and tandem tris(perfluorophenyl)borane catalysed deoxygenative hydrosilation of carbon dioxide","Chemical Science","2013","4","5","2152","","10.1039/c3sc50145k","","","0.71073","MoKα","","0.1042","0.0692","","","0.1271","0.1446","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514705","6.229","0.003","11.758","0.007","12.009","0.007","88.61","0.04","77.64","0.06","83.8","0.04","854.1","0.8","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.","Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors","Chemical Science","2013","4","5","2028","","10.1039/c3sc50500f","","","1.54187","CuKα","","","0.0752","","","","0.2094","","","","","","0.899","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514706","14.6982","0.0017","4.5311","0.0005","19.448","0.003","90","","97.309","0.004","90","","1284.7","0.3","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 F N O3 -","- C15 H12 F N O3 -","- C60 H48 F4 N4 O12 -","4","1","","McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.","Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors","Chemical Science","2013","4","5","2028","","10.1039/c3sc50500f","","","1.54187","CuKα","","","0.1206","","","","0.3223","","","","","","0.924","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514707","5.707","0.007","7.877","0.011","18.99","0.03","98.61","0.06","91.4","0.08","91.03","0.03","844","2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 N O6 S -","- C17 H17 N O6 S -","- C34 H34 N2 O12 S2 -","2","1","","McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.","Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors","Chemical Science","2013","4","5","2028","","10.1039/c3sc50500f","","","1.54187","CuKα","","","0.1261","","","","0.4028","","","","","","1.233","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514708","7.89","0.03","5.6","0.02","16.51","0.06","90","","102.65","0.07","90","","712","5","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H8 F5 N O3 -","- C15 H8 F5 N O3 -","- C30 H16 F10 N2 O6 -","2","1","","McBurney, Roy T.; Eisenschmidt, Annika; Slawin, Alexandra M. Z.; Walton, John C.","Rapid and selective spiro-cyclisations of O-centred radicals onto aromatic acceptors","Chemical Science","2013","4","5","2028","","10.1039/c3sc50500f","","","1.54187","CuKα","","","0.1561","","","","0.43","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514709","12.6203","0.0002","13.1151","0.0002","13.4075","0.0002","81.395","0.001","89.382","0.001","84.039","0.001","2182.29","0.06","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Chisholm 1904","","","- C92 H96 Mo2 N4 O10 S2 -","- C92 H96 Mo2 N4 O10 S2 -","- C92 H96 Mo2 N4 O10 S2 -","1","0.5","","Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F.","MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states","Chemical Science","2013","4","5","2105","","10.1039/c3sc50322d","","x-ray","0.71073","MoKα","","0.0467","0.0347","","","0.085","0.0924","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514710","12.843","0.003","16.816","0.003","21.696","0.004","74.31","0.03","76.48","0.03","72.72","0.03","4247","1.7","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm 1892","","","- C88 H100 Mo2 N4 O11 -","- C88 H100 Mo2 N4 O11 -","- C176 H200 Mo4 N8 O22 -","2","1","","Brown-Xu, Samantha E.; Chisholm, Malcolm H.; Durr, Christopher B.; Lewis, Sharlene A.; Naseri, Vesal; Spilker, Thomas F.","MM quadruple bonds supported by cyanoacrylate ligands. Extending photon harvesting into the near infrared and studies of the MLCT states","Chemical Science","2013","4","5","2105","","10.1039/c3sc50322d","","x-ray","0.71073","MoKα","","0.0998","0.059","","","0.1544","0.1682","","","","","","1.08","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1514711","12.1824","0.0008","7.56","0.0004","12.3739","0.0006","90","","106.815","0.006","90","","1090.9","0.11","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","2","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.061","0.0444","","","0.1024","0.1145","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514712","10.8034","0.0005","6.9959","0.0003","19.4702","0.0011","90","","102.269","0.005","90","","1437.94","0.12","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N5 O2 -","- C15 H17 N5 O2 -","- C60 H68 N20 O8 -","4","1","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.0827","0.0546","","","0.1281","0.1519","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514713","23.0013","0.0019","5.0777","0.0003","11.154","0.0009","90","","90","","90","","1302.72","0.17","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C64 H44 N4 O4 S4 -","4","1","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.0608","0.0419","","","0.0912","0.1053","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514714","6.7553","0.0003","9.2885","0.0005","14.5501","0.0006","90","","95.168","0.004","90","","909.26","0.07","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 F N2 S -","- C10 H5 F N2 S -","- C40 H20 F4 N8 S4 -","4","1","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.0571","0.0394","","","0.0901","0.1007","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514715","6.0479","0.0004","8.1021","0.0005","14.5564","0.001","81.543","0.006","83.748","0.005","72.375","0.006","670.83","0.08","293","2","293.15","","","","","","","","","5","P 1","P 1","1","","","","- C16 H12 N O2 S -","- C16 H12 N O2 S -","- C32 H24 N2 O4 S2 -","2","2","","Liu, Bo; Huang, Yumin; Lan, Jingbo; Song, Feijie; You, Jingsong","Pd-catalyzed oxidative C‒H/C‒H cross-coupling of pyridines with heteroarenes","Chemical Science","2013","4","5","2163","","10.1039/c3sc50348h","","","0.7107","MoKα","","0.1016","0.0796","","","0.2035","0.2322","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514716","6.2339","0.0001","8.9683","0.0002","14.0067","0.0003","81.624","0.002","89.228","0.002","75.671","0.001","750.42","0.03","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 F3 N2 O4 S -","- C13 H13 F3 N2 O4 S -","- C26 H26 F6 N4 O8 S2 -","2","1","","Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido","N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents","Chemical Science","2013","4","5","2177","","10.1039/c3sc00099k","","","1.54178","CuKα","","0.0479","0.0455","","","0.1179","0.1203","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514717","9.6013","0.0001","7.0186","0.0001","25.4572","0.0004","90","","92.806","0.001","90","","1713.44","0.04","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F3 N2 O4 S -","- C15 H17 F3 N2 O4 S -","- C60 H68 F12 N8 O16 S4 -","4","1","","Samanta, Ramesh C.; De Sarkar, Suman; Fröhlich, Roland; Grimme, Stefan; Studer, Armido","N-Heterocyclic carbene (NHC) catalyzed chemoselective acylation of alcohols in the presence of amines with various acylating reagents","Chemical Science","2013","4","5","2177","","10.1039/c3sc00099k","","","1.54178","CuKα","","0.0555","0.0502","","","0.1346","0.1395","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514718","10.1814","0.0002","20.4882","0.0004","16.7346","0.0003","90","","103.158","0.0011","90","","3399.16","0.11","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H49.95 Ga Mn N2 O2 -","- C37 H49.95 Ga Mn N2 O2 -","- C148 H199.8 Ga4 Mn4 N8 O8 -","4","1","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.1473","0.0732","","0.2096","0.1459","0.2096","","","","","","1.0437","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514719","9.083","0.0001","9.083","0.0001","41.8928","0.0005","90","","90","","90","","3456.19","0.07","150","","150","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C34 H41 Ga Mo N2 O5 -","- C34 H41 Ga Mo N2 O5 -","- C136 H164 Ga4 Mo4 N8 O20 -","4","0.5","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.0659","0.0543","","0.1298","0.117","0.1298","","","","","","0.8947","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514720","9.15777","0.0001","35.5896","0.0006","21.105","0.0003","90","","90","","90","","6878.57","0.17","150","","150","","","","","","","","","6","P b n m","-P 2c 2ab","62","","","","- C34 H41 Ga N2 O5 W -","- C34 H41 Ga N2 O5 W -","- C272 H328 Ga8 N16 O40 W8 -","8","1","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","1.54184","CuKα","","0.062","0.0588","","0.1196","0.119","0.1196","","","","","","0.8871","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514721","8.8239","0.0002","19.5134","0.0004","21.404","0.0004","90.0148","0.0016","89.9906","0.0018","90.0029","0.0019","3685.43","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H41 Co2 Ga N2 O7 -","- C36 H41 Co2 Ga N2 O7 -","- C144 H164 Co8 Ga4 N8 O28 -","4","2","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","1.54184","CuKα","","0.034","0.0286","","0.0745","0.0648","0.0744","","","","","","0.9226","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514722","8.86","0.0001","21.5544","0.0002","9.0818","0.0001","90","","108.601","0.0004","90","","1643.77","0.03","150","","150","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C33 H42 Ga Mn N2 O4 -","- C33 H42 Ga Mn N2 O4 -","- C66 H84 Ga2 Mn2 N4 O8 -","2","0.5","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.0435","0.0293","","0.0787","0.0653","0.0787","","","","","","0.9152","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514723","21.4272","0.0001","16.8902","0.0001","21.5723","0.0002","90","","108.729","0.0004","90","","7393.79","0.09","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H41 Cl Co Ga N2 O4 -","- C33 H41 Cl Co Ga N2 O4 -","- C264 H328 Cl8 Co8 Ga8 N16 O32 -","8","1","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.048","0.0333","","0.0992","0.0816","0.0992","","","","","","0.9727","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514724","8.8327","0.0001","18.3781","0.0002","20.6752","0.0002","90.0077","0.0007","90.0065","0.0007","85.7423","0.0005","3346.91","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H48 Ga Mn N2 O2 -","- C37 H48 Ga Mn N2 O2 -","- C148 H192 Ga4 Mn4 N8 O8 -","4","2","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","0.71073","MoKα","","0.056","0.0355","","0.0919","0.0749","0.0919","","","","","","0.9366","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514725","12.5663","0.0002","13.2686","0.0003","20.7262","0.0004","78.4857","0.0019","83.9447","0.0017","83.4912","0.0018","3352.25","0.12","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C65 H53 B Co F24 Ga N2 O4 -","- C65 H53 B Co F24 Ga N2 O4 -","- C130 H106 B2 Co2 F48 Ga2 N4 O8 -","2","1","","Turner, Joshua; Abdalla, Joseph A. B.; Bates, Joshua I.; Tirfoin, Remi; Kelly, Michael J.; Phillips, Nicholas; Aldridge, Simon","Formation of sub-valent carbenoid ligands by metal-mediated dehydrogenation chemistry: coordination and activation of H2Ga{(NDippCMe)2CH}","Chemical Science","2013","4","11","4245","","10.1039/c3sc52133h","","","1.5418","CuKα","","0.0521","0.0489","","0.1228","0.1201","0.1228","","","","","","0.9839","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514726","10.8453","0.0014","12.173","0.0015","12.2364","0.0015","109.364","0.002","106.53","0.003","98.626","0.002","1406.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2-mercapto-1,3-di(ethoxycarbonyl)azulene","","","- C16 H16 O4 S -","- C16 H16 O4 S -","- C64 H64 O16 S4 -","4","2","","Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V.","The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus","Chemical Science","2013","4","11","4267","","10.1039/c3sc51773j","","","0.71073","MoKα","","0.0811","0.0516","","","0.1235","0.1346","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514727","3.9099","0.0011","13.413","0.004","14.207","0.004","82.606","0.005","86.888","0.006","82.453","0.006","731.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,6-dichloro-1,3-diethoxycarbonylazulene","","","- C16 H14 Cl2 O4 -","- C16 H14 Cl2 O4 -","- C32 H28 Cl4 O8 -","2","1","","Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V.","The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus","Chemical Science","2013","4","11","4267","","10.1039/c3sc51773j","","","0.71073","MoKα","","0.0933","0.07","","","0.1702","0.1876","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514728","23.574","0.002","11.1504","0.001","23.342","0.002","90","","90","","90","","6135.7","0.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[PPh3Au](1,3-diethoxycarbonyl-2-mercapto-6-azulenethiolate)","","","- C34 H30 Au O4 P S2 -","- C34 H30 Au O4 P S2 -","- C272 H240 Au8 O32 P8 S16 -","8","2","","Scheetz, Kolbe J.; Spaeth, Andrew D.; Vorushilov, Alexander S.; Powell, Douglas R.; Day, Victor W.; Barybin, Mikhail V.","The 2,6-dimercaptoazulene motif: efficient synthesis and completely regioselective metallation of its 6-mercapto terminus","Chemical Science","2013","4","11","4267","","10.1039/c3sc51773j","","","0.71073","MoKα","","0.0342","0.0294","","","0.0698","0.0721","","","","","","0.998","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1514729","9.6661","0.0003","13.0872","0.0004","15.6977","0.0005","111.029","0.001","90.575","0.001","108.683","0.001","1738.24","0.1","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C15.5 H15 Cl3 N2 Pt S -","- C15.5 H15 Cl3 N2 Pt S -","- C62 H60 Cl12 N8 Pt4 S4 -","4","2","","Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A.","Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands","Chemical Science","2013","4","11","4193","","10.1039/c3sc51557e","","","1.54178","CuKα","","0.0384","0.0377","","","0.0966","0.0971","","","","","","1.166","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1514730","9.4153","0.0005","12.0408","0.0007","16.6958","0.001","102.425","0.003","100.136","0.003","104.304","0.002","1737.82","0.18","100","2","99.99","","","","","","","","","9","P -1","-P 1","2","","","","- C35 H33 B Cl F4 N2 P Pt S2 -","- C35 H33 B Cl F4 N2 P Pt S2 -","- C70 H66 B2 Cl2 F8 N4 P2 Pt2 S4 -","2","1","","Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A.","Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands","Chemical Science","2013","4","11","4193","","10.1039/c3sc51557e","","","0.71073","MoKα","","0.0313","0.0243","","","0.051","0.0546","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514731","10.295","0.0003","9.8283","0.0003","34.0318","0.0011","90","","94.67","0.001","90","","3431.99","0.18","100","2","99.95","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 B2 F8 N2 P Pt S2 -","- C35 H33 B2 F8 N2 P Pt S2 -","- C140 H132 B8 F32 N8 P4 Pt4 S8 -","4","1","","Rosen, Mari S.; Stern, Charlotte L.; Mirkin, Chad A.","Heteroligated PtII Weak-Link Approach complexes using hemilabile N-heterocyclic carbene‒thioether and phosphino‒thioether ligands","Chemical Science","2013","4","11","4193","","10.1039/c3sc51557e","","","0.71073","MoKα","","0.0398","0.038","","","0.0823","0.0829","","","","","","1.285","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514732","15.1354","0.0004","9.24","0.0003","20.128","0.0006","90","","101.781","0.002","90","","2755.63","0.14","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H42 N2 Si -","- C30 H42 N2 Si -","- C120 H168 N8 Si4 -","4","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.0757","0.0578","","","0.1372","0.1484","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514733","11.294","0.0004","12.168","0.0004","13.604","0.0004","96.759","0.002","90.61","0.002","90.961","0.002","1856.13","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H58 Mg N2 O2 Si -","- C38 H58 Mg N2 O2 Si -","- C76 H116 Mg2 N4 O4 Si2 -","2","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.0989","0.0612","","","0.1597","0.1843","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514734","10.031","0.0001","30.017","0.0005","16.556","0.0003","90","","104.903","0.001","90","","4817.34","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H68 Mg N2 O3.5 Si -","- C42.05 H64 Mg N2 O3 Si -","- C168.2 H256 Mg4 N8 O12 Si4 -","4","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.1607","0.0815","","","0.2128","0.2434","","","","","","0.977","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514735","10.2642","0.0002","22.7621","0.0006","20.7835","0.0005","90","","98.249","0.002","90","","4805.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H72 Ca N2 O3 Si -","- C49 H72 Ca N2 O3 Si -","- C196 H288 Ca4 N8 O12 Si4 -","4","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.1379","0.0756","","","0.199","0.227","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514736","10.37","0.0003","18.852","0.0008","12.632","0.0005","90","","113.607","0.002","90","","2262.83","0.15","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H71 N2 O4 Si Sr -","- C46 H71 N2 O4 Si Sr -","- C92 H142 N4 O8 Si2 Sr2 -","2","1","","Hill, Michael S.; Liptrot, David J.; MacDougall, Dugald J.; Mahon, Mary F.; Robinson, Thomas P.","Hetero-dehydrocoupling of silanes and amines by heavier alkaline earth catalysis","Chemical Science","2013","4","11","4212","","10.1039/c3sc51797g","","","0.71073","MoKα","","0.109","0.064","","","0.1119","0.1238","","","","","","1.033","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514737","27.371","0.002","7.0453","0.0006","18.8951","0.0014","90","","99.01","0.007","90","","3598.7","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 F3 N3 O3 -","- C20 H18 F3 N3 O3 -","- C160 H144 F24 N24 O24 -","8","1","","Lee, Min Hee; Yoon, Byungkwon; Kim, Jong Seung; Sessler, Jonathan L.","Naphthalimide trifluoroacetyl acetonate: a hydrazine-selective chemodosimetric sensor","Chemical Science","2013","4","11","4121","","10.1039/c3sc51813b","","","0.71073","MoKα","","0.1192","0.0421","","","0.0595","0.067","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514738","11.948","0.0006","15.878","0.0008","24.9404","0.0011","90","","90","","90","","4731.5","0.4","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H77 N2 Na O3 Zn -","- C47 H77 N2 Na O3 Zn -","- C188 H308 N8 Na4 O12 Zn4 -","4","1","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","0.71073","MoKα","","0.0928","0.0557","","","0.0895","0.101","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514739","9.7795","0.0005","10.1033","0.0005","20.1669","0.0008","90.336","0.004","103.989","0.004","118.932","0.005","1674.4","0.17","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H54 N2 Zn -","- C35 H54 N2 Zn -","- C70 H108 N4 Zn2 -","2","1","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","1.5418","CuKα","","0.0425","0.0388","","","0.0963","0.0989","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514740","12.5177","0.0002","33.2445","0.0006","18.2146","0.0003","90","","100.694","0.002","90","","7448.3","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H127 N2 Na O7 Zn2 -","- C71 H127 N2 Na O7 Zn2 -","- C284 H508 N8 Na4 O28 Zn8 -","4","1","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","0.71073","MoKα","","0.0979","0.0781","","","0.1498","0.1585","","","","","","1.178","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"1514741","21.8628","0.0013","22.1892","0.0011","31.9347","0.0014","90","","90","","90","","15492.1","1.4","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H63 Li N2 Zn -","- C39 H63 Li N2 Zn -","- C624 H1008 Li16 N32 Zn16 -","16","2","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","0.71073","MoKα","","0.2203","0.0897","","","0.1845","0.2639","","","","","","0.915","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514742","9.2833","0.0003","14.4759","0.0003","16.9188","0.0004","68.109","0.002","81.38","0.002","86.27","0.002","2085.74","0.1","150","0.1","150","0.1","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C45 H50 Au2 Cl N2 P -","- C45 H50 Au2 Cl N2 P -","- C90 H100 Au4 Cl2 N4 P2 -","2","1","","Armstrong, David R.; Baillie, Sharon E.; Blair, Victoria L.; Chabloz, Nicolas G.; Diez, Josefina; Garcia-Alvarez, Joaquin; Kennedy, Alan R.; Robertson, Stuart D.; Hevia, Eva","Alkali-metal-mediated zincation (AMMZn) meets N-heterocyclic carbene (NHC) chemistry: Zn‒H exchange reactions and structural authentication of a dinuclear Au(i) complex with a NHC anion","Chemical Science","2013","4","11","4259","","10.1039/c3sc52101j","","","1.5418","CuKα","","0.0382","0.0311","","","0.0764","0.0804","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514743","11.822","0.003","47.948","0.009","12.119","0.003","90","","104.545","0.006","90","","6649","3","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Br F3 O2 -","- C18 H12 Br F3 O2 -","- C288 H192 Br16 F48 O32 -","16","8","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","0.71073","MoKα","","0.1084","0.0638","","","0.1433","0.1668","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514744","6.039","0.005","27.449","0.018","11.299","0.008","90","","104.404","0.013","90","","1814","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H19 F3 O2 -","- C22 H19 F3 O2 -","- C88 H76 F12 O8 -","4","2","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","1.54178","CuKα","","0.1492","0.1131","","","0.2972","0.3357","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514745","7.934","0.002","10.719","0.003","18.419","0.005","90","","90","","90","","1566.4","0.7","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 S -","- C19 H20 N2 S -","- C76 H80 N8 S4 -","4","1","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","0.71075","MoKα","","","0.0482","","","","0.1333","","","","","","0.661","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514746","19.358","0.01","9.419","0.005","8.186","0.004","90","","90.979","0.016","90","","1492.4","1.3","93","","93","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H17 F3 O2 -","- C18 H17 F3 O2 -","- C72 H68 F12 O8 -","4","1","","Morrill, Louis C.; Douglas, James; Lebl, Tomas; Slawin, Alexandra M. Z.; Fox, David J.; Smith, Andrew D.","Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study","Chemical Science","2013","4","11","4146","","10.1039/c3sc51791h","","","0.71075","MoKα","","","0.0584","","","","0.1899","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514747","8.3666","0.0009","10.8236","0.0011","17.2119","0.0018","84.42","0.006","79.713","0.005","75.288","0.006","1481.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","HP.BPE-m-dichlorobenzene","1-(2,4,6-Trihydroxyphenyl)heptan-1-one trans-1,2-bis(4-pyridyl)ethene 1,3-dichlorobenzene","","- C31 H32 Cl2 N2 O4 -","- C31 H32 Cl2 N2 O4 -","- C62 H64 Cl4 N4 O8 -","2","1","","Ghorai, Suman; Sumrak, Joseph C.; Hutchins, Kristin M.; Bučar, Dejan-Krešimir; Tivanski, Alexei V.; MacGillivray, Leonard R.","From co-crystals to functional thin films: photolithography using [2+2] photodimerization","Chemical Science","2013","4","11","4304","","10.1039/c3sc51073e","","","0.71073","MoKα","","0.1585","0.0857","","","0.2737","0.3185","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514748","32.0273","0.0003","32.0273","0.0003","29.1427","0.0007","90","","90","","120","","25888.2","0.7","123","2","123","2","","","","","","","","6","P 6 2 2","P 6 2","177","","","","- C160 H178 Cd3 N14 O27 Ti4 -","- C159.99 H171.99 Cd3 N14.01 O27 Ti4 -","- C639.96 H687.96 Cd12 N56.04 O108 Ti16 -","4","0.333333","","Xuan, Weimin; Ye, Chengcheng; Zhang, Mengni; Chen, Zhijie; Cui, Yong","A chiral porous metallosalan-organic framework containing titanium-oxo clusters for enantioselective catalytic sulfoxidation","Chemical Science","2013","4","8","3154","","10.1039/c3sc50487e","","","1.54178","CuKα","","0.1267","0.0966","","","0.2253","0.2452","","","","","","1.155","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514749","9.4797","0.0006","45.49","0.003","21.7415","0.0013","90","","92.764","0.003","90","","9364.7","1","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 B2 O3 -","- C24 H16 B2 O3 -","- C480 H320 B40 O60 -","20","5","","Dimitrijević, Elena; Taylor, Mark S.","9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols","Chemical Science","2013","4","8","3298","","10.1039/c3sc51172c","","","1.54178","CuKα","","0.0721","0.0595","","","0.1509","0.1593","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514750","10.6981","0.0004","14.3379","0.0007","26.3743","0.0011","90","","90","","90","","4045.5","0.3","150","1","150","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H22 B2 N2 O -","- C26 H22 B2 N2 O -","- C208 H176 B16 N16 O8 -","8","1","","Dimitrijević, Elena; Taylor, Mark S.","9-Hetero-10-boraanthracene-derived borinic acid catalysts for regioselective activation of polyols","Chemical Science","2013","4","8","3298","","10.1039/c3sc51172c","","","1.54178","CuKα","","0.0595","0.0445","","","0.1119","0.1211","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514752","13.583","0.004","15.995","0.005","16.961","0.005","110.618","0.007","111.892","0.006","93.2","0.006","3125.1","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H97 N O6 S Si9 -","- C47 H97 N O6 S Si9 -","- C94 H194 N2 O12 S2 Si18 -","2","1","","Brady, Patrick B.; Albert, Brian J.; Akakura, Matsujiro; Yamamoto, Hisashi","Controlling stereochemistry in polyketide synthesis: 1,3- vs. 1,2-asymmetric induction in methyl ketone aldol additions to β-super siloxy aldehydes","Chemical Science","2013","4","8","3223","","10.1039/c3sc51183a","","","0.71073","MoKα","","0.162","0.0691","","","0.1018","0.121","","","","","","0.726","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514754","17.564","0.004","25.629","0.005","20.8","0.004","90","","90","","90","","9363","3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C79.5 H115.5 Co3 N8.5 O34.5 -","- C57 H31 Co3 N O15 -","- C228 H124 Co12 N4 O60 -","4","0.5","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","0.71073","MoKα","","0.2561","0.1113","","","0.2894","0.3548","","","","","","0.982","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514755","17.5608","0.001","25.3474","0.0017","20.8804","0.0019","90","","90","","90","","9294.3","1.2","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C79.5 H109.5 Co3 N8.5 O31.5 -","- C54 H30 Co3 O15 -","- C216 H120 Co12 O60 -","4","0.5","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","0.71073","MoKα","","0.1882","0.1157","","","0.2997","0.3412","","","","","","0.922","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514756","17.446","0.004","27.758","0.006","18.762","0.004","90","","90","","90","","9086","3","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C78 H106 Co3 N8 O31 -","- C57 H31 Co3 N O16 -","- C228 H124 Co12 N4 O64 -","4","0.5","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","0.71073","MoKα","","0.1485","0.0917","","","0.2542","0.2809","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514757","27.2496","0.0001","27.2496","0.0001","27.2496","0.0001","90","","90","","90","","20233.9","0.13","173","2","173","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C122 H178 Co6 N14 O46 -","- C72 H40 Co6 O26 -","- C432 H240 Co36 O156 -","6","0.125","","Li, Jia; Huang, Peng; Wu, Xue-Ru; Tao, Jun; Huang, Rong-Bin; Zheng, Lan-Sun","Metal-organic frameworks displaying single crystal-to-single crystal transformation through postsynthetic uptake of metal clusters","Chemical Science","2013","4","8","3232","","10.1039/c3sc51379c","","","1.54178","CuKα","","0.1667","0.1274","","","0.322","0.352","","","","","","1.591","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514759","7.7537","0.0002","8.7833","0.0003","28.0793","0.001","90","","90","","90","","1912.29","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 I2 O2 -","- C18 H18 I2 O2 -","- C72 H72 I8 O8 -","4","1","","Gómez-Bengoa, Enrique; García, Jesús M.; Jiménez, Sandra; Lapuerta, Irati; Mielgo, Antonia; Odriozola, José M.; Otazo, Itziar; Razkin, Jesús; Urruzuno, Iñaki; Vera, Silvia; Oiarbide, Mikel; Palomo, Claudio","Asymmetric synthesis of propargylic alcohols via aldol reaction of aldehydes with ynals promoted by prolinol ether‒transition metal‒Brønsted acid cooperative catalysis","Chemical Science","2013","4","8","3198","","10.1039/c3sc51027a","","","0.71073","MoKα","","0.0235","0.0204","","","0.0485","0.0659","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514761","10.2738","0.0001","11.207","0.0001","19.0373","0.0002","90","","90","","90","","2191.93","0.04","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H14 O3 -","- C13 H14 O3 -","- C104 H112 O24 -","8","1","","Farmer, Rebecca L.; Scheidt, Karl A.","A Concise Enantioselective Synthesis and Cytotoxic Evaluation of the Anticancer Rotenoid Deguelin Enabled by a Tandem Knoevenagel/Conjugate Addition/Decarboxylation Sequence.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3304","3309","10.1039/C3SC50424G","","","0.71073","MoKα","","0.0441","0.0357","","","0.0964","0.1013","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514762","19.3718","0.0002","20.1092","0.0002","21.506","0.0002","90","","93.7932","0.0003","90","","8359.34","0.14","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","((Bicyclo[2.2.1]hepta-2,5-diene)((rac)-bis-2,2'-(diphenylphosphino)-1,1' -binaphthalene)rhodium)((rac)-bis-(1,1'-binaphthalen-2,2'-dioxo)boronate).","","- C95 H74 B Cl6 O4 P2 Rh -","- C95 H74 B Cl6 O4 P2 Rh -","- C380 H296 B4 Cl24 O16 P8 Rh4 -","4","1","","Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.","Chiral recognition in contact ion-pairs; observation, characterization and analysis","Chemical Science","2013","4","8","3140","","10.1039/c3sc51096d","","","0.71073","MoKα","","0.0703","0.0514","","0.1458","0.1331","0.1456","","","","","","0.9999","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514763","15.7224","0.0003","20.2138","0.0004","25.7426","0.0006","90","","90","","90","","8181.2","0.3","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","((Bicyclo[2.2.1]hepta-2,5-diene)((R)-bis-2,2'-(diphenylphosphino)-1,1' -binaphthalene)rhodium)((S,S)-bis-(1,1'-binaphthalen-2,2'-dioxo)boronate).","","- C98 H80 B Cl6 O5 P2 Rh -","- C98 H80 B Cl6 O5 P2 Rh -","- C392 H320 B4 Cl24 O20 P8 Rh4 -","4","1","","Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.","Chiral recognition in contact ion-pairs; observation, characterization and analysis","Chemical Science","2013","4","8","3140","","10.1039/c3sc51096d","","","0.71073","MoKα","","0.1012","0.055","","0.104","0.0578","0.0578","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514764","11.8286","0.0002","25.5279","0.0004","14.3047","0.0002","90","","111.974","0.0008","90","","4005.65","0.11","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","P 1 21 1","P 2yb","4","","((Bicyclo[2.2.1]hepta-2,5-diene)((R)-bis-2,2'-(diphenylphosphino)-1,1'-binaphthalene)rhodium) ((R,R)-bis-(1,1'-binaphthalen-2,2'-dioxo)boronate).","","- C96 H76 B Cl8 O4 P2 Rh -","- C96 H76 B Cl8 O4 P2 Rh -","- C192 H152 B2 Cl16 O8 P4 Rh2 -","2","1","","Raskatov, Jevgenij A.; Thompson, Amber L.; Cowley, Andrew R.; Claridge, Timothy D. W.; Brown, John M.","Chiral recognition in contact ion-pairs; observation, characterization and analysis","Chemical Science","2013","4","8","3140","","10.1039/c3sc51096d","","","0.71073","MoKα","","0.0751","0.0432","","0.0814","0.0464","0.0464","","","","","","1.1097","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514765","16.179","0.007","17.461","0.008","32.012","0.015","90","","95.835","0.006","90","","8997","7","100","","100","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C200 H256 Si8 -","- C176 H200 Si8 -","- C352 H400 Si16 -","2","0.5","","Matsuno, Taisuke; Kamata, Sho; Hitosugi, Shunpei; Isobe, Hiroyuki","Bottom-up synthesis and structures of π-lengthened tubular macrocycles","Chemical Science","2013","4","8","3179","","10.1039/c3sc50645b","","","0.71073","MoKα","","0.1715","0.1535","","","0.4279","0.4429","","","","","","1.929","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514766","22.0395","0.0005","16.0165","0.0004","39.3819","0.0007","90","","90","","90","","13901.6","0.5","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H78 Br6 Dy N9 O14 Zn2 -","- C58 H76.5 Br6 Dy N9 O13.25 Zn2 -","- C464 H612 Br48 Dy8 N72 O106 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.1014","0.0821","","","0.2161","0.2339","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514767","20.5186","0.0014","16.4699","0.0011","37.585","0.003","90","","90","","90","","12701.4","1.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H62 Br6 Dy N9 O10 Zn2 -","- C54 H62 Br6 Dy N9 O10 Zn2 -","- C432 H496 Br48 Dy8 N72 O80 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.1746","0.0725","","","0.1359","0.1736","","","","","","0.944","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514768","21.893","0.0015","15.9613","0.0015","39.306","0.003","90","","90","","90","","13735.1","1.9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H78 Br6 Dy N9 O14 Zn2 -","- C55 H64 Br6 Dy N9 O10 Zn2 -","- C440 H512 Br48 Dy8 N72 O80 Zn16 -","8","1","","Liu, Jun-Liang; Chen, Yan-Cong; Zheng, Yan-Zhen; Lin, Wei-Quan; Ungur, Liviu; Wernsdorfer, Wolfgang; Chibotaru, Liviu F.; Tong, Ming-Liang","Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D5h to quasi-Oh","Chemical Science","2013","4","8","3310","","10.1039/c3sc50843a","","","0.71073","MoKα","","0.183","0.0924","","","0.2242","0.2621","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514769","10.5882","0.0011","16.8592","0.0017","20.8","0.002","74.883","0.001","79.955","0.001","76.103","0.001","3454.7","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H101 Ag2 F3 N4 O6 S -","- C67 H93 Ag2 F3 N4 O6 S -","- C134 H186 Ag4 F6 N8 O12 S2 -","2","1","","Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P.","A dinuclear silver hydride and an umpolung reaction of CO2","Chemical Science","2013","4","8","3068","","10.1039/c3sc50896j","","","0.71073","MoKα","","0.0859","0.0514","","","0.1206","0.1399","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514770","14.8245","0.0014","23.508","0.002","19.9054","0.0019","90","","110.118","0.001","90","","6513.7","1","173.2","","173.2","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H93 Ag2 F3 N4 O5 S -","- C63 H93 Ag2 F3 N4 O5 S -","- C252 H372 Ag8 F12 N16 O20 S4 -","4","1","","Tate, Brandon K.; Wyss, Chelsea M.; Bacsa, John; Kluge, Kelly; Gelbaum, Leslie; Sadighi, Joseph P.","A dinuclear silver hydride and an umpolung reaction of CO2","Chemical Science","2013","4","8","3068","","10.1039/c3sc50896j","","","0.71073","MoKα","","0.0854","0.0502","","","0.1214","0.1406","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514771","11.445","0.002","12.104","0.002","17.978","0.004","77.35","0.03","76.4","0.03","65.63","0.03","2184","0.9","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 F6 N4 O8 S2 -","- C44 H30 F6 N4 O6 S2 -","- C88 H60 F12 N8 O12 S4 -","2","1","","Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue","Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core","Chemical Science","2013","4","8","3288","","10.1039/c3sc51091c","","","0.71073","MoKα","","0.1603","0.1054","","","0.2949","0.3367","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514772","9.6569","0.0019","10.14","0.002","18.898","0.005","90","","118.42","0.02","90","","1627.5","0.7","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N4 S2 -","- C40 H28 N4 S2 -","- C80 H56 N8 S4 -","2","0.5","","Wang, Kai; Huang, Shuo; Zhang, Yu; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue","Multicolor fluorescence and electroluminescence of an ICT-type organic solid tuned by modulating the accepting nature of the central core","Chemical Science","2013","4","8","3288","","10.1039/c3sc51091c","","","0.71073","MoKα","","0.0597","0.0401","","","0.0913","0.1","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514773","11.6522","0.0013","5.4552","0.0006","11.4821","0.0012","90","","90.607","0.002","90","","729.82","0.14","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","zethrene","Dibenzo[de,mn]naphthacene","","- C24 H14 -","- C24 H14 -","- C48 H28 -","2","0.5","","Shan, Liang; Liang, Zhixiong; Xu, Xiaomin; Tang, Qin; Miao, Qian","Revisiting zethrene: synthesis, reactivity and semiconductor properties","Chemical Science","2013","4","8","3294","","10.1039/c3sc51158h","","","0.71073","MoKα","","0.0801","0.069","","","0.1846","0.2106","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514774","21.545","0.003","23.046","0.003","23.372","0.003","94.535","0.001","115.193","0.001","115.679","0.001","8956","2","123","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C216 H289 Cl2 Gd36 N51 O193 -","- C216 H144 Cl2 Gd36 N51 O193 -","- C216 H144 Cl2 Gd36 N51 O193 -","1","0.5","","Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun","Two polymeric 36-metal pure lanthanide nanosize clusters","Chemical Science","2013","4","8","3104","","10.1039/c3sc50887k","","","0.71073","MoKα","","0.0488","0.04","","","0.1371","0.1477","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514775","21.545","0.004","22.886","0.005","23.17","0.004","94.32","","115.373","0.002","115.639","0.001","8817","3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C216 H289 Cl2 Dy36 N51 O193 -","- C216 H142 Cl2 Dy36 N51 O193 -","- C216 H142 Cl2 Dy36 N51 O193 -","1","0.5","","Wu, Mingyan; Jiang, Feilong; Kong, Xiangjian; Yuan, Daqiang; Long, Lasheng; Al-Thabaiti, Shaeel A.; Hong, Maochun","Two polymeric 36-metal pure lanthanide nanosize clusters","Chemical Science","2013","4","8","3104","","10.1039/c3sc50887k","","","0.71073","MoKα","","0.0548","0.0422","","","0.1232","0.169","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514776","9.7839","0.0004","16.5231","0.0008","24.2524","0.0012","90","","90","","90","","3920.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 Cl2 N4 O7 S Si -","- C38 H42 Cl2 N4 O7 S Si -","- C152 H168 Cl8 N16 O28 S4 Si4 -","4","1","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.0544","0.0485","","","0.1186","0.1218","","","","","","1.1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514777","13.7346","0.001","16.0038","0.0011","17.3585","0.0013","100.01","0.001","92.214","0.001","108.59","0.001","3543.2","0.4","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C32.33 H36.66 Cl0.66 N4 O10 S Si -","- C32.3305 H36.661 Cl0.661 N4 O10 S Si -","- C129.322 H146.644 Cl2.644 N16 O40 S4 Si4 -","4","4","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.094","0.0751","","","0.2013","0.2202","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514778","12.8803","0.0007","10.3954","0.0006","16.5478","0.0009","90","","90.063","0.001","90","","2215.7","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H50 N4 O14 S -","- C45 H50 N4 O14 S -","- C90 H100 N8 O28 S2 -","2","1","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.0311","0.0301","","","0.0833","0.0843","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514779","11.6928","0.0007","11.2669","0.0006","20.6483","0.0011","90","","96.676","0.001","90","","2701.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H21 N5 O6 S2 -","- C29 H21 N5 O6 S2 -","- C116 H84 N20 O24 S8 -","4","2","","Coste, Alexis; Kim, Justin; Adams, Timothy C.; Movassaghi, Mohammad","Concise Total Synthesis of (+)-Bionectins A and C.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","8","3191","3197","10.1039/C3SC51150B","","","0.71073","MoKα","","0.0512","0.0465","","","0.1452","0.1496","","","","","","1.231","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514780","11.106","0.002","16.93","0.003","22","0.004","90","","91.61","0.03","90","","4134.9","1.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 F9 La N9 O10 P S4 -","- C28 H32 F9 La N9 O10 P S4 -","- C112 H128 F36 La4 N36 O40 P4 S16 -","4","1","","Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank","Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes","Chemical Science","2013","4","9","3717","","10.1039/c3sc50708d","","","0.71073","MoKα","","0.1073","0.0555","","","0.0924","0.1109","","","","","","0.946","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514781","9.764","0.002","19.857","0.004","22.899","0.005","90","","97.37","0.03","90","","4403.1","1.6","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H61 F18 N19 O19 P2 S8 Sm2 -","- C54 H61 F18 N19 O19 P2 S8 Sm2 -","- C108 H122 F36 N38 O38 P4 S16 Sm4 -","2","0.5","","Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank","Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes","Chemical Science","2013","4","9","3717","","10.1039/c3sc50708d","","","0.71073","MoKα","","0.0945","0.0601","","","0.1423","0.1644","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514782","13.2866","0.0004","13.3751","0.0005","13.849","0.0005","83.93","","70.156","0.001","80.123","0.001","2277.65","0.14","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","1,2-bis(2,2,4,4,5,5-hexakis(2,4,6-trimethylphenyl)- 3-methyl-2,4,5-trisila-1,3- distannabicylo[1.1.1]pentan)ethyne","","- C30 H33 F9 N12 O9 P Pu S4 -","- C30 H33 F9 N12 O9 P Pu S4 -","- C60 H66 F18 N24 O18 P2 Pu2 S8 -","2","1","","Löble, Matthias W.; Oña-Burgos, Pascual; Fernández, Ignacio; Apostolidis, Christos; Morgenstern, Alfred; Walter, Olaf; Bruchertseifer, Frank; Kaden, Peter; Vitova, Tonya; Rothe, Jörg; Dardenne, Kathy; Banik, Nidhu L.; Geist, Andreas; Denecke, Melissa A.; Breher, Frank","Exploring the solution behavior of f-element coordination compounds: a case study on some trivalent rare earth and plutonium complexes","Chemical Science","2013","4","9","3717","","10.1039/c3sc50708d","","","0.71073","MoKα","","0.0203","0.0193","","","0.0487","0.0493","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514783","14.9461","0.0004","7.3243","0.0002","15.6793","0.0004","90","","112.463","0.002","90","","1586.18","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N4 Ni -","- C17 H20 N4 Ni -","- C68 H80 N16 Ni4 -","4","1","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0422","0.032","","","0.0876","0.0939","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514784","10.076","0.0007","10.6657","0.0007","19.6623","0.0014","90.05","0.003","97.94","0.003","105.384","0.003","2016.3","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H40 F6 N8 Ni2 O6 S2 -","- C36 H40 F6 N8 Ni2 O6 S2 -","- C72 H80 F12 N16 Ni4 O12 S4 -","2","1","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0385","0.028","","","0.0676","0.0733","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514785","10.5982","0.0008","12.3634","0.0008","19.8165","0.0013","90","","95.155","0.003","90","","2586","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 K N4 Ni O2 -","- C25 H36 K N4 Ni O2 -","- C100 H144 K4 N16 Ni4 O8 -","4","1","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0511","0.0355","","","0.0864","0.0952","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514786","9.223","0.0004","23.7522","0.0008","15.2139","0.0006","90","","107.35","0.001","90","","3181.2","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C23 H29 F12 N7 Ni P2 -","- C23 H29 F12 N7 Ni P2 -","- C92 H116 F48 N28 Ni4 P8 -","4","1","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0303","0.0282","","","0.0781","0.0796","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514787","12.7277","0.0011","21","0.002","28.837","0.003","90","","99.126","0.004","90","","7610","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H56 K N6 Ni O6 -","- C35 H56 K N6 Ni O6 -","- C280 H448 K8 N48 Ni8 O48 -","8","2","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.1258","0.0695","","","0.1682","0.2094","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514788","34.46","0.007","10.852","0.005","23.144","0.004","90","","100.903","0.004","90","","8499","5","243","2","243","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H106 K2 N12 Ni O12 -","- C70 H106 K2 N12 Ni O12 -","- C280 H424 K8 N48 Ni4 O48 -","4","0.5","","Williams, Valerie A.; Hulley, Elliott B.; Wolczanski, Peter T.; Lancaster, Kyle M.; Lobkovsky, Emil B.","Exploring the limits of redox non-innocence: pseudo square planar [{κ4-Me2C(CH2NCHpy)2}Ni]n (n = 2+, 1+, 0, −1, −2) favor Ni(ii)","Chemical Science","2013","4","9","3636","","10.1039/c3sc50743b","","","0.71073","MoKα","","0.0676","0.0413","","","0.0942","0.1028","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514789","9.7242","0.0001","17.6641","0.0002","25.6425","0.0002","90","","90","","90","","4404.59","0.08","173","0.14","173","0.14","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H22 N2 -","- C31 H22 N2 -","- C248 H176 N16 -","8","1","","Yang, Zhiyong; Qin, Wei; Lam, Jacky W. Y.; Chen, Sijie; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong","Fluorescent pH sensor constructed from a heteroatom-containing luminogen with tunable AIE and ICT characteristics","Chemical Science","2013","4","9","3725","","10.1039/c3sc50648g","","x-ray","1.5418","CuKα","","0.0355","0.032","","","0.0835","0.0865","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514790","9.1485","0.0006","13.8946","0.0008","10.4647","0.0007","90","","102.948","0.006","90","","1296.4","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Cui, Sunliang; Zhang, Yan; Wu, Qifan","Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation","Chemical Science","2013","4","9","3421","","10.1039/c3sc51424b","","","0.71073","MoKα","","0.065","0.0419","","","0.0902","0.1042","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514791","23.247","0.0016","9.9836","0.0007","16.0069","0.0011","90","","90.649","0.006","90","","3714.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H18.5 Cl2.5 N O -","- C19.5 H18.5 Cl2.5 N O -","- C156 H148 Cl20 N8 O8 -","8","2","","Cui, Sunliang; Zhang, Yan; Wu, Qifan","Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation","Chemical Science","2013","4","9","3421","","10.1039/c3sc51424b","","","0.71073","MoKα","","0.1281","0.0757","","","0.2056","0.2495","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514792","9.7761","0.0009","14.7382","0.001","24.0669","0.0016","90","","90","","90","","3467.6","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H14 Cl3 N O2 -","- C16 H14 Cl3 N O2 -","- C128 H112 Cl24 N8 O16 -","8","1","","Cui, Sunliang; Zhang, Yan; Wu, Qifan","Rh(iii)-catalyzed C‒H activation/cycloaddition of benzamides and methylenecyclopropanes: divergence in ring formation","Chemical Science","2013","4","9","3421","","10.1039/c3sc51424b","","","0.71073","MoKα","","0.1182","0.0901","","","0.2524","0.2826","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514793","6.4122","0.0019","12.077","0.004","16.676","0.005","90","","90","","90","","1291.4","0.7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Ozaki, Kyohei; Zhang, Hua; Ito, Hideto; Lei, Aiwen; Itami, Kenichiro","One-shot indole-to-carbazole π-extension by a Pd‒Cu‒Ag trimetallic system","Chemical Science","2013","4","9","3416","","10.1039/c3sc51447a","","","0.7107","MoKα","","0.0538","0.0477","","","0.0909","0.0942","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514794","8.906","0.0009","17.7086","0.0017","17.021","0.0017","90","","91.073","0.004","90","","2684","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H28.5 Cl1.5 N4 O6 Ru -","- C24.5 H28.5 Cl1.5 N4 O6 Ru -","- C98 H114 Cl6 N16 O24 Ru4 -","4","1","","Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.","Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study","Chemical Science","2013","4","9","3731","","10.1039/c3sc51530c","","","0.71073","MoKα","","0.044","0.0382","","","0.1007","0.104","","","","","","1.215","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514795","23.297","0.002","12.4626","0.0012","25.803","0.003","90","","115.977","0.004","90","","6734.8","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H31 Cl3 N4 O6 Ru -","- C34 H31 Cl3 N4 O6 Ru -","- C272 H248 Cl24 N32 O48 Ru8 -","8","1","","Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.","Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study","Chemical Science","2013","4","9","3731","","10.1039/c3sc51530c","","","0.71073","MoKα","","0.0411","0.0296","","","0.0717","0.0793","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514796","9.1898","0.0003","11.3905","0.0004","16.2931","0.0006","78.018","0.003","82.142","0.003","76.846","0.003","1617.39","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 Cl4 Co2 N8 O21 -","- C66 H58 Cl4 Co2 N8 O21 -","- C66 H58 Cl4 Co2 N8 O21 -","1","0.5","","Renfrew, Anna K.; Bryce, Nicole S.; Hambley, Trevor W.","Delivery and release of curcumin by a hypoxia-activated cobalt chaperone: a XANES and FLIM study","Chemical Science","2013","4","9","3731","","10.1039/c3sc51530c","","","0.71073","MoKα","","0.058","0.0489","","","0.121","0.1268","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514797","7.6678","0.001","13.5683","0.0018","14.958","0.002","90","","90","","90","","1556.2","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","toste70","toste70","","- C14 H17 Br N2 O4 S -","- C14 H17 Br N2 O4 S -","- C56 H68 Br4 N8 O16 S4 -","4","1","","Miles, Dillon H.; Veguillas, Marcos; Toste, F. Dean","Gold(i)-catalyzed enantioselective bromocyclization reactions of allenes","Chemical Science","2013","4","9","3427","","10.1039/c3sc50811k","","","1.54178","CuKα","","0.0159","0.0159","","","0.0411","0.0411","","","","","","1.183","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1514798","9.876","0.002","9.295","0.0019","22.594","0.006","90","","106.8","0.03","90","","1985.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cu N5 O4 -","- C21 H18 Cu N5 O4 -","- C84 H72 Cu4 N20 O16 -","4","1","","Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He","A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions","Chemical Science","2013","4","9","3678","","10.1039/c3sc00057e","","","0.71073","MoKα","","0.1471","0.0938","","","0.193","0.2174","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514799","9.399","0.0019","9.848","0.002","21.834","0.004","90","","102.09","0.03","90","","1976.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu N5 O4 -","- C20 H16 Cu N5 O4 -","- C80 H64 Cu4 N20 O16 -","4","1","","Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He","A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions","Chemical Science","2013","4","9","3678","","10.1039/c3sc00057e","","","0.71073","MoKα","","0.1686","0.0962","","","0.2284","0.2701","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514800","9.93","0.002","9.3445","0.0019","22.717","0.006","90","","106.94","0.03","90","","2016.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cu N5 O4 -","- C21 H18 Cu N5 O4 -","- C84 H72 Cu4 N20 O16 -","4","1","","Chen, Yong-Qiang; Li, Guo-Rong; Chang, Ze; Qu, Yang-Kun; Zhang, Ying-Hui; Bu, Xian-He","A Cu(i) metal‒organic framework with 4-fold helical channels for sensing anions","Chemical Science","2013","4","9","3678","","10.1039/c3sc00057e","","","0.71073","MoKα","","0.2335","0.1033","","","0.2001","0.2574","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514801","9.3736","0.001","15.178","0.0011","10.1053","0.0009","90","","107.302","0.004","90","","1372.7","0.2","103","2","103","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H28 Cl3 N O6 Pd S -","- C24 H28 Cl3 N O6 Pd S -","- C48 H56 Cl6 N2 O12 Pd2 S2 -","2","1","","Yamaguchi, Kazuya; Kondo, Hiroki; Yamaguchi, Junichiro; Itami, Kenichiro","Aromatic C‒H coupling with hindered arylboronic acids by Pd/Fe dual catalysts","Chemical Science","2013","4","9","3753","","10.1039/c3sc51206a","","","0.7107","MoKα","","0.0289","0.0261","","","0.0686","0.0696","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514802","10.0198","0.0003","11.1462","0.0003","19.6789","0.0005","85.018","0.001","79.607","0.002","74.258","0.001","2078.99","0.1","135","","135","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H51 N3 P3 V -","- C45 H51 N3 P3 V -","- C90 H102 N6 P6 V2 -","2","1","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium‒iron complexes featuring metal‒metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.0442","0.0322","","0.0834","0.0754","0.0834","","","","","","0.9947","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514803","10.7003","0.0003","22.3479","0.0005","22.519","0.0005","62.001","0.001","81.313","0.001","88.637","0.001","4693.3","0.2","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H57 Fe I N3 O0.75 P3 V -","- C48 H57 Fe I N3 O0.75 P3 V -","- C192 H228 Fe4 I4 N12 O3 P12 V4 -","4","2","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium‒iron complexes featuring metal‒metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.055","0.0364","","0.0802","0.0756","0.0802","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514804","16.3841","0.0005","16.3841","0.0005","22.8729","0.0009","90","","90","","120","","5317.4","0.3","120","","120","","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Fe N3 P4 V -","- C48 H60 Fe N3 P4 V -","- C192 H240 Fe4 N12 P16 V4 -","4","0.333333","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium‒iron complexes featuring metal‒metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.0446","0.0324","","0.0993","0.0871","0.0993","","","","","","1.013","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514805","13.0944","0.0003","14.5742","0.0004","28.469","0.0008","90","","95.9356","0.0014","90","","5403.9","0.2","135","","135","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 Fe N4 P4 V -","- C60 H69 Fe N4 P4 V -","- C240 H276 Fe4 N16 P16 V4 -","4","1","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium‒iron complexes featuring metal‒metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.0859","0.0487","","0.1004","0.0915","0.1004","","","","","","0.9637","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514806","10.7611","0.0003","22.0867","0.0006","22.4678","0.0007","63.268","0.001","80.585","0.002","85.642","0.002","4705.1","0.2","120","","120","","","","","","","","","9","P -1","-P 1","2","","","","- C48 H57 F Fe I N3 O0.75 P3 V -","- C48 H57 F Fe I N3 O0.75 P3 V -","- C192 H228 F4 Fe4 I4 N12 O3 P12 V4 -","4","2","","Kuppuswamy, Subramaniam; Powers, Tamara M.; Krogman, Jeremy P.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Vanadium‒iron complexes featuring metal‒metal multiple bonds","Chemical Science","2013","4","9","3557","","10.1039/c3sc51337h","","","0.71073","MoKα","","0.0538","0.0356","","0.0745","0.0694","0.0745","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514807","8.0672","0.0011","13.6398","0.0012","12.88","0.002","90","","100.756","0.013","90","","1392.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl2 N4 Ni -","- C10 H20 Cl2 N4 Ni -","- C40 H80 Cl8 N16 Ni4 -","4","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0373","0.031","","","0.0813","0.0847","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514808","7.768","0.002","12.985","0.003","19.423","0.004","90","","90","","90","","1959.1","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H13 Cl2 N2 P -","- C6 H13 Cl2 N2 P -","- C48 H104 Cl16 N16 P8 -","8","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0358","0.0316","","","0.0845","0.0879","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514809","19.24","0.003","11.531","0.003","15.038","0.003","90","","128.66","0.03","90","","2605.2","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 Cl2 N2 P -","- C11 H15 Cl2 N2 P -","- C88 H120 Cl16 N16 P8 -","8","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0348","0.0305","","","0.0975","0.1014","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514810","11.4381","0.001","7.717","0.0007","12.979","0.0011","90","","122.697","0.006","90","","964.09","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 Cl3 N2 P -","- C5 H10 Cl3 N2 P -","- C20 H40 Cl12 N8 P4 -","4","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0336","0.0309","","","0.0854","0.0869","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514811","8.9858","0.0004","12.0174","0.0006","13.4315","0.0007","90","","104.706","0.003","90","","1402.9","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cl2 N4 Pd -","- C10 H20 Cl2 N4 Pd -","- C40 H80 Cl8 N16 Pd4 -","4","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0297","0.026","","","0.0749","0.0773","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514812","7.375","0.003","7.56","0.002","8.6846","0.0015","74.688","0.016","76.04","0.02","62.6","0.02","410.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H11 F4 N2 P -","- C5 H11 F4 N2 P -","- C10 H22 F8 N4 P2 -","2","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0556","0.0537","","","0.1506","0.1532","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514813","12.8424","0.0006","12.65","0.0006","13.2356","0.0006","90","","90","","90","","2150.21","0.17","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H10 Cl4 N2 Si -","- C5 H10 Cl4 N2 Si -","- C40 H80 Cl32 N16 Si8 -","8","1","","Böttcher, Tobias; Bassil, Bassem S.; Zhechkov, Lyuben; Heine, Thomas; Röschenthaler, Gerd-Volker","(NHCMe)SiCl4: a versatile carbene transfer reagent ‒ synthesis from silicochloroform","Chemical Science","2013","4","1","77","","10.1039/c2sc21214e","","","0.71073","MoKα","","0.0427","0.0288","","","0.0715","0.0819","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514814","7.1257","0.0006","9.7812","0.0009","14.6087","0.0013","74.587","0.001","81.231","0.001","70.49","0.001","922.94","0.14","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H18 Fe -","- C26 H18 Fe -","- C52 H36 Fe2 -","2","1","","Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.","On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies","Chemical Science","2013","4","1","437","","10.1039/c2sc21413j","","","0.71073","MoKα","","0.0363","0.0309","","","0.0786","0.0821","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514815","11.3194","0.0006","5.7682","0.0003","14.8959","0.0008","90","","94.364","0.004","90","","969.77","0.09","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H21 Fe N3 -","- C25 H21 Fe N3 -","- C50 H42 Fe2 N6 -","2","1","","Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.","On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies","Chemical Science","2013","4","1","437","","10.1039/c2sc21413j","","","1.54178","CuKα","","0.0829","0.0666","","","0.1815","0.1999","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514816","21.166","0.004","9.936","0.0017","8.1878","0.0014","90","","92.968","0.003","90","","1719.6","0.5","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe -","- C24 H18 Fe -","- C96 H72 Fe4 -","4","1","","Gietter, Amber A. S.; Pupillo, Rachel C.; Yap, Glenn P. A.; Beebe, Thomas P.; Rosenthal, Joel; Watson, Donald A.","On-surface cross-coupling methods for the construction of modified electrode assemblies with tailored morphologies","Chemical Science","2013","4","1","437","","10.1039/c2sc21413j","","","0.71073","MoKα","","0.0718","0.0409","","","0.0813","0.0941","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514817","20.7703","0.0018","20.6316","0.0019","23.952","0.002","90","","102.233","0.002","90","","10031","1.5","133","2","133","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H12 O2 -","- C18 H12 O2 -","- C576 H384 O64 -","32","8","","Cheng, Ming; Yan, Jianwei; Hu, Feng; Chen, Hong; Hu, Youhong","Palladium-catalyzed cascade reactions of 3-iodochromones with aryl iodides and norbornadiene leading to annulated xanthones","Chemical Science","2013","4","1","526","","10.1039/c2sc21335d","","","0.71073","MoKα","","0.1423","0.0615","","","0.1264","0.1627","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514818","7.3309","0.0002","16.9368","0.0005","12.1796","0.0004","90","","95.441","0.001","90","","1505.43","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(MedoenH)]ClO4","","","- C10 H17 Cl N4 Ni O6 -","- C10 H17 Cl N4 Ni O6 -","- C40 H68 Cl4 N16 Ni4 O24 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0632","0.0386","","","0.0808","0.0907","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514819","11.5005","0.0004","20.8961","0.0007","14.2514","0.0004","90","","109.637","0.001","90","","3225.65","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(Medoen)Zn(Me3TACN)(MeCN)](ClO4)2","","","- C22 H40 Cl2 N8.5 Ni O10 Zn -","- C21.982 H40 Cl2 N8.491 Ni O10 Zn -","- C87.928 H160 Cl8 N33.964 Ni4 O40 Zn4 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0955","0.0564","","","0.1403","0.1662","","","","","","1.02","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514820","11.5533","0.0005","22.0368","0.0008","12.9726","0.0005","90","","104.81","0.002","90","","3193.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(Medopn)Zn(Me3TACN)(MeCN)](ClO4)2","","","- C22 H42 Cl2 N8 Ni O10 Zn -","- C22 H42 Cl2 N8 Ni O10 Zn -","- C88 H168 Cl8 N32 Ni4 O40 Zn4 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.09","0.0686","","","0.1802","0.1924","","","","","","1.131","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514821","18.853","0.004","18.337","0.004","16.409","0.003","90","","90.05","0.03","90","","5673","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[(OAc)Ni(Medoen)Zn(Me3TACN)]ClO4","","","- C21 H40 Cl N7 Ni O8 Zn -","- C21 H37.096 Cl N7 Ni O8.1 Zn -","- C168 H296.768 Cl8 N56 Ni8 O64.8 Zn8 -","8","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0711","0.0474","","","0.0998","0.1142","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514822","8.5274","0.0004","12.4106","0.0005","13.0776","0.0005","98.754","0.001","96.004","0.001","90.074","0.002","1360.17","0.1","100","2","100","2","","","","","","","","7","P 1","P 1","1","[(NO2)Ni(Medoen)Zn(Me3TACN)]ClO4","","","- C19 H37 Cl N8 Ni O8 Zn -","- C19 H37 Cl N8 Ni O8 Zn -","- C38 H74 Cl2 N16 Ni2 O16 Zn2 -","2","2","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0687","0.0493","","","0.1084","0.1169","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514823","11.7327","0.0007","15.5512","0.0009","17.9328","0.001","67.784","0.003","71.146","0.003","77.96","0.003","2852.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Ni(TMFdoen)Zn(Me3TACN)(MeCN)](ClO4)(BPh4)","","","- C110 H150 B2 Cl2 N18 Ni2 O16 Zn2 -","- C110 H150 B2 Cl2 N18 Ni2 O16 Zn2 -","- C110 H150 B2 Cl2 N18 Ni2 O16 Zn2 -","1","0.5","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.0645","0.0326","","","0.0782","0.083","","","","","","0.908","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514824","11.9784","0.0008","19.7901","0.0014","26.294","0.0018","104.912","0.004","91.396","0.004","98.3","0.004","5947.7","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Ni(TMFdoen)Zn(Me3TACN)(THF)]BPh4","","","- C61 H89 B N7 Ni O6.5 Zn -","- C61 H89 B N7 Ni O6.5 Zn -","- C244 H356 B4 N28 Ni4 O26 Zn4 -","4","2","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.1235","0.0552","","","0.1179","0.1432","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514825","21.7065","0.0012","13.6234","0.0007","24.045","0.0012","90","","90.533","0.003","90","","7110.2","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[(PPh3)Ni(TMFdoen)Zn(Me3TACN)]BPh4","","","- C77 H100 B N7 Ni O6 P Zn -","- C77 H100 B N7 Ni O6 P Zn -","- C308 H400 B4 N28 Ni4 O24 P4 Zn4 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.1249","0.0568","","","0.1198","0.1422","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514826","17.2117","0.0013","12.9449","0.001","24.7109","0.0017","90","","101.43","0.003","90","","5396.5","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","complex13","","","- C55 H74 B N7 Ni O5 Zn -","- C55 H71 B N7 Ni O5 Zn -","- C220 H284 B4 N28 Ni4 O20 Zn4 -","4","1","","Uyeda, Christopher; Peters, Jonas C.","Access to formally Ni(i) states in a heterobimetallic NiZn system","Chemical Science","2013","4","1","157","","10.1039/c2sc21231e","","","0.71073","MoKα","","0.1534","0.0719","","","0.1579","0.1929","","","","","","1.003","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514827","14.1445","0.0018","14.338","0.002","16.719","0.003","86.271","0.008","81.687","0.008","61.358","0.005","2944.5","0.8","100","2","100","2","","","","","","","Stephen Moore","4","P -1","-P 1","2","","","","- C57 H72 N14 O15 -","- C57 H72 N14 O15 -","- C114 H144 N28 O30 -","2","1","","Moore, Stephen J.; Haynes, Cally J. E.; González, Jorge; Sutton, Jennifer L.; Brooks, Simon J.; Light, Mark E.; Herniman, Julie; Langley, G. John; Soto-Cerrato, Vanessa; Pérez-Tomás, Ricardo; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Gale, Philip A.","Chloride, carboxylate and carbonate transport by ortho-phenylenediamine-based bisureas","Chemical Science","2013","4","1","103","","10.1039/c2sc21112b","","","0.71075","MoKα","","0.078","0.0618","","","0.1432","0.1535","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514828","23.898","0.003","15.593","0.002","23.95","0.003","90","","109.468","0.002","90","","8414.5","1.8","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","((CF3PY5Me2)Co(NCCH3))(CF3SO3)2","","","- C38 H33 Co F9 N8 O6 S2 -","- C38 H33 Co F9 N8 O6 S2 -","- C304 H264 Co8 F72 N64 O48 S16 -","8","1","","Sun, Yujie; Sun, Jianwei; Long, Jeffrey R.; Yang, Peidong; Chang, Christopher J.","Photocatalytic generation of hydrogen from water using a cobalt pentapyridine complex in combination with molecular and semiconductor nanowire photosensitizers","Chemical Science","2013","4","1","118","","10.1039/c2sc21163g","","","0.71073","MoKα","","0.065","0.0542","","","0.1519","0.1627","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514829","12.9063","0.0002","14.0711","0.0002","20.7385","0.0004","101.178","0.001","99.806","0.001","113.143","0.001","3268.15","0.1","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C63 H65 Au2 Cl2 F6 N O10 P2 S2 -","- C63 H65 Au2 Cl2 F6 N O10 P2 S2 -","- C126 H130 Au4 Cl4 F12 N2 O20 P4 S4 -","2","1","","Weber, Dieter; Gagné, Michel R","σ-π-Diauration as an alternative binding mode for digold intermediates in gold(i) catalysis.","Chemical science (Royal Society of Chemistry : 2010)","2013","47","1","335","338","10.1039/C2SC21281A","","","1.54184","CuKα","","0.0302","0.0276","","","0.0706","0.072","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514830","7.151","0.0008","29.386","0.003","9.6851","0.001","90","","100.773","0.002","90","","1999.4","0.4","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Fe O4 Si -","- C20 H18 Fe O4 Si -","- C80 H72 Fe4 O16 Si4 -","4","2","","Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun","Studies of iron-mediated Pauson‒Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle","Chemical Science","2013","4","1","238","","10.1039/c2sc21404k","","","0.71073","MoKα","","0.0443","0.0358","","0.091","0.0852","0.091","","","","","","0.9951","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514831","12.129","0.003","8.192","0.002","26.318","0.006","90","","102.587","0.005","90","","2552.1","1.1","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 O2 Si2 -","- C25 H38 O2 Si2 -","- C100 H152 O8 Si8 -","4","1","","Williams, David R.; Shah, Akshay A.; Mazumder, Shivnath; Baik, Mu-Hyun","Studies of iron-mediated Pauson‒Khand reactions of 1,1-disubstituted-allenylsilanes: mechanistic implications for a reactive three-membered iron metallacycle","Chemical Science","2013","4","1","238","","10.1039/c2sc21404k","","","0.71073","MoKα","","0.0934","0.0491","","0.1221","0.1064","0.1221","","","","","","0.9997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514832","8.8101","0.0005","9.1759","0.0005","11.1624","0.0006","102.467","0.001","92.503","0.001","113.932","0.001","796.59","0.08","95","1","95","1","","","","","","","","5","P -1","-P 1","2","[Fe(N(H)(SiMe3)(Dipp))2]","","","- C30 H52 Fe N2 Si2 -","- C30 H52 Fe N2 Si2 -","- C30 H52 Fe N2 Si2 -","1","0.5","","Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R.","Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes","Chemical Science","2013","4","1","125","","10.1039/c2sc20801f","","","0.71073","MoKα","","0.0376","0.0345","","","0.1035","0.1065","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514833","10.8937","0.0018","20.234","0.003","11.2231","0.0019","90","","90.829","0.003","90","","2473.6","0.7","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Fe0.93 N2 -","- C60 H76 Fe0.93 N2 -","- C120 H152 Fe1.86 N4 -","2","0.5","","Zadrozny, Joseph M.; Atanasov, Mihail; Bryan, Aimee M.; Lin, Chun-Yi; Rekken, Brian D.; Power, Philip P.; Neese, Frank; Long, Jeffrey R.","Slow magnetization dynamics in a series of two-coordinate iron(ii) complexes","Chemical Science","2013","4","1","125","","10.1039/c2sc20801f","","","0.71073","MoKα","","0.0449","0.0338","","","0.08","0.0857","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514834","13.9562","0.0009","23.5904","0.0015","23.5858","0.0015","90","","90","","90","","7765.2","0.9","123","2","123","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C18.87 H19.16 N2 O2 Zn -","- C18.867 H19.156 N2 O2 Zn -","- C301.872 H306.496 N32 O32 Zn16 -","16","1","","He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming","A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds","Chemical Science","2013","4","1","351","","10.1039/c2sc21181e","","","0.71073","MoKα","","0.088","0.0734","","","0.192","0.2058","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514835","13.9249","0.0012","23.653","0.002","23.637","0.002","90","","90","","90","","7785.2","1.1","293","2","293","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C12 H10 N2 O2 Zn -","- C12 H10 N2 O2 Zn -","- C192 H160 N32 O32 Zn16 -","16","1","","He, Chun-Ting; Tian, Jing-Yu; Liu, Si-Yang; Ouyang, Gangfeng; Zhang, Jie-Peng; Chen, Xiao-Ming","A porous coordination framework for highly sensitive and selective solid-phase microextraction of non-polar volatile organic compounds","Chemical Science","2013","4","1","351","","10.1039/c2sc21181e","","","0.71073","MoKα","","0.0675","0.0538","","","0.1381","0.1505","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514836","11.83","0.0003","11.9725","0.0003","12.3591","0.0004","65.098","0.002","69.838","0.002","65.309","0.002","1411.99","0.07","90","2","90","2","","","","","","","","6","P -1","-P 1","2","beta-(Au2(dppe)2I2).2acetone (green emission)","","","- C58 H60 Au2 I2 O2 P4 -","- C58 H60 Au2 I2 O2 P4 -","- C58 H60 Au2 I2 O2 P4 -","1","0.5","","Lim, Sang Ho; Olmstead, Marilyn M.; Balch, Alan L.","Inorganic topochemistry. Vapor-induced solid state transformations of luminescent, three-coordinate gold(i) complexes","Chemical Science","2013","4","1","311","","10.1039/c2sc20820b","","","0.71073","MoKα","","0.0216","0.0185","","","0.04","0.0408","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514837","12.2859","0.0011","20.3988","0.0017","17.3454","0.0015","90","","99.232","0.002","90","","4290.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H62 N3 Ni -","- C51 H62 N3 Ni -","- C204 H248 N12 Ni4 -","4","1","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.085","0.0516","","","0.0984","0.1064","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514838","21.2763","0.0015","10.7269","0.0007","24.4104","0.0017","90","","97.053","0.001","90","","5529","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H78 Cl4 N3 Ni -","- C59 H78 Cl4 N3 Ni -","- C236 H312 Cl16 N12 Ni4 -","4","1","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.0809","0.0631","","","0.1623","0.1733","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514839","12.9077","0.0017","34.624","0.004","19.65","0.003","90","","107.756","0.002","90","","8363.6","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C87 H84 B F24 N3 Ni O -","- C87 H84 B F24 N3 Ni O -","- C348 H336 B4 F96 N12 Ni4 O4 -","4","1","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.1426","0.0889","","","0.2231","0.2497","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514840","14.7621","0.0015","16.7885","0.0017","21.465","0.002","102.291","0.002","106.901","0.002","105.812","0.002","4644.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C197 H204 B2 F48 N6 Ni2 O4 -","- C197 H204 B2 F48 N6 Ni2 O4 -","- C197 H204 B2 F48 N6 Ni2 O4 -","1","0.5","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.0807","0.0601","","","0.154","0.1626","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514841","12.7476","0.0012","20.1891","0.0019","33.921","0.003","90","","90.696","0.002","90","","8729.4","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H96 B F24 N3 Ni O -","- C93 H96 B F24 N3 Ni O -","- C372 H384 B4 F96 N12 Ni4 O4 -","4","1","","Laskowski, C. A.; Morello, G. R.; Saouma, C. T.; Cundari, T. R.; Hillhouse, G. L.","Single-electron oxidation of N-heterocyclic carbene-supported nickel amides yielding benzylic C‒H activation","Chemical Science","2013","4","1","170","","10.1039/c2sc21345a","","","0.71073","MoKα","","0.0884","0.0541","","","0.1104","0.1196","","","","","","0.885","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514842","9.4942","0.0004","29.0008","0.0013","11.5368","0.0005","90","","90.018","0.002","90","","3176.5","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 B F15 O2 P S -","- C30 H27 B F15 O2 P S -","- C120 H108 B4 F60 O8 P4 S4 -","4","1","","Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard","Reactions of phosphorus/boron frustrated Lewis pairs with SO2","Chemical Science","2013","4","1","213","","10.1039/c2sc21161k","","","0.71073","MoKα","","0.0435","0.0341","","","0.0703","0.0726","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514843","13.2898","0.0003","13.3521","0.0006","22.579","0.0009","73.392","0.003","73.073","0.003","83.328","0.004","3670.7","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 B F10 O2 P S -","- C33 H28 B F10 O2 P S -","- C132 H112 B4 F40 O8 P4 S4 -","4","2","","Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard","Reactions of phosphorus/boron frustrated Lewis pairs with SO2","Chemical Science","2013","4","1","213","","10.1039/c2sc21161k","","","1.54178","CuKα","","0.0568","0.0496","","","0.1402","0.1456","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514844","10.5993","0.0004","11.865","0.0004","14.4165","0.0009","92.7","0.003","95.322","0.002","111.03","0.004","1678.66","0.14","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H32 B F10 O2 P S -","- C36 H32 B F10 O2 P S -","- C72 H64 B2 F20 O4 P2 S2 -","2","1","","Sajid, Muhammad; Klose, Annika; Birkmann, Birgit; Liang, Liyuan; Schirmer, Birgitta; Wiegand, Thomas; Eckert, Hellmut; Lough, Alan J.; Fröhlich, Roland; Daniliuc, Constantin G.; Grimme, Stefan; Stephan, Douglas W.; Kehr, Gerald; Erker, Gerhard","Reactions of phosphorus/boron frustrated Lewis pairs with SO2","Chemical Science","2013","4","1","213","","10.1039/c2sc21161k","","","1.54178","CuKα","","0.0534","0.0439","","","0.1092","0.116","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514845","20.411","0.003","20.411","0.003","40.34","0.005","90","","90","","120","","14554","4","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C76 H162 Cu6 N12 O88.66 V30 -","- C76 Cu6 N12 O88.5 V30 -","- C228 Cu18 N36 O265.5 V90 -","3","0.5","","Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten","Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters","Chemical Science","2013","4","1","418","","10.1039/c2sc20942j","","","0.71073","MoKα","","0.0618","0.0479","","","0.1169","0.1222","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514846","9.4145","0.0019","11.119","0.002","13.183","0.002","67.27","0.03","77.71","0.02","89.25","0.03","1240","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H30 N2 O12 S5 V -","- C10 H30 N2 O12 S5 V -","- C20 H60 N4 O24 S10 V2 -","2","1","","Forster, Johannes; Rösner, Benedikt; Fink, Rainer H.; Nye, Leanne C.; Ivanovic-Burmazovic, Ivana; Kastner, Katharina; Tucher, Johannes; Streb, Carsten","Oxidation-driven self-assembly gives access to high-nuclearity molecular copper vanadium oxide clusters","Chemical Science","2013","4","1","418","","10.1039/c2sc20942j","","x-ray","0.71073","MoKα","","0.0318","0.0276","","","0.0701","0.0721","","","","","","1.144","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514847","26.759","0.005","8.5937","0.0014","24.464","0.004","90","","92.096","0.002","90","","5621.9","1.7","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H33 N3 O7 S -","- C31 H33 N3 O7 S -","- C248 H264 N24 O56 S8 -","8","1","","Moore, Jared T.; Soldi, Cristian; Fettinger, James C.; Shaw, Jared T.","Catalytic Alkene Cyclization Reactions for the Stereoselective Synthesis of Complex ""Terpenoid-like"" Heterocycles.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","1","292","296","10.1039/C2SC21405A","","","0.71073","MoKα","","0.0328","0.03","","","0.0815","0.0832","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514848","7.9323","0.0006","12.8416","0.001","28.201","0.002","96.6629","0.0013","90.955","0.0013","94.4154","0.0013","2843.8","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 N3 O8 S -","- C31 H27 N3 O8 S -","- C124 H108 N12 O32 S4 -","4","2","","Moore, Jared T.; Soldi, Cristian; Fettinger, James C.; Shaw, Jared T.","Catalytic Alkene Cyclization Reactions for the Stereoselective Synthesis of Complex ""Terpenoid-like"" Heterocycles.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","1","292","296","10.1039/C2SC21405A","","","0.71073","MoKα","","0.0519","0.0393","","","0.0919","0.0969","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514849","8.4525","0.0004","15.486","0.001","46.184","0.003","90","","90","","90","","6045.3","0.6","100","2","100","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C24.5 H33 Cl N4 O8 Pd2 S2 -","- C24.5 H33 Cl N4 O8 Pd2 S2 -","- C196 H264 Cl8 N32 O64 Pd16 S16 -","8","2","","Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C.","Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives","Chemical Science","2013","4","1","175","","10.1039/c2sc21162a","","x-ray","0.7107","MoKα","","0.1042","0.0713","","","0.1441","0.1588","","","","","","1.065","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1514850","9.8306","0.0005","17.0929","0.0008","24.3215","0.0012","90","","90","","90","","4086.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O6 S -","- C19 H24 N2 O6 S -","- C152 H192 N16 O48 S8 -","8","2","","Rodríguez, Nuria; Romero-Revilla, Jose A.; Fernández-Ibáñez, M. Ángeles; Carretero, Juan C.","Palladium-catalyzed N-(2-pyridyl)sulfonyl-directed C(sp3)‒H γ-arylation of amino acid derivatives","Chemical Science","2013","4","1","175","","10.1039/c2sc21162a","","","1.54178","CuKα","","0.0753","0.0546","","","0.1401","0.1548","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1514851","13.258","0.0009","20.3837","0.0018","26.4826","0.0017","85.599","0.006","81.344","0.005","81.232","0.006","6982","0.9","100","","100","","","","","","","","synthesised","5","P -1","-P 1","2","","","","- C106 H115 Cl N8 O11 -","- C106 H115 Cl N8 O11 -","- C212 H230 Cl2 N16 O22 -","2","1","","Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel","Lanthanide appended rotaxanes respond to changing chloride concentration","Chemical Science","2013","4","1","489","","10.1039/c2sc21614k","","","0.6889","synchrotron","","0.1601","0.1334","","0.3902","0.3575","0.3902","","","","","","1.16","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514852","18.0616","0.0002","14.969","0.0002","18.2262","0.0003","90","","108.69","0.0008","90","","4667.84","0.11","150","","150","","","","105","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C70 H126 Lu4 N16 Na4 O43 -","- C70 H126 Lu4 N16 Na4 O43 -","- C140 H252 Lu8 N32 Na8 O86 -","2","0.5","","Allain, Clémence; Beer, Paul D.; Faulkner, Stephen; Jones, Michael W.; Kenwright, Alan M.; Kilah, Nathan L.; Knighton, Richard C.; Sørensen, Thomas Just; Tropiano, Manuel","Lanthanide appended rotaxanes respond to changing chloride concentration","Chemical Science","2013","4","1","489","","10.1039/c2sc21614k","","","0.71073","MoKα","","0.0723","0.0641","","0.1746","0.168","0.1745","","","","","","0.9954","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514853","6.06","0.0006","12.255","0.0007","19.535","0.0009","79.509","0.004","81.926","0.006","76.549","0.005","1380.07","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","TTFesterdimer","","","- C26 H16 O5 S8 -","- C26 H16 O5 S8 -","- C52 H32 O10 S16 -","2","1","","Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Duarte, M. Teresa; Veciana, Jaume; Rovira, Concepció","Intramolecular electron transfer in the photodimerisation product of a tetrathiafulvalene derivative in solution and on a surface","Chemical Science","2013","4","1","307","","10.1039/c2sc21134c","","","0.71069","MoKα","","0.3373","0.1673","","","0.4192","0.4702","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514854","11.751","0.0009","7.5332","0.0006","19.9382","0.0015","90","","95.651","0.001","90","","1756.4","0.2","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O -","- C25 H20 O -","- C100 H80 O4 -","4","1","","Truong, Thanh; Daugulis, Olafs","Divergent Reaction Pathways for Phenol Arylation by Arynes: Synthesis of Helicenes and 2-Arylphenols.","Chemical science (Royal Society of Chemistry : 2010)","2013","4","1","531","535","10.1039/c2sc21288a","","","0.71073","MoKα","","0.0525","0.0299","","","0.0772","0.0916","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514855","21.2598","0.0004","21.2598","0.0004","21.2598","0.0004","90","","90","","90","","9609","0.3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Co2 K7 O49 W11 -","- Co1.96 K7.03 O49 W11.04 -","- Co15.68 K56.24 O392 W88.32 -","8","0.0416667","","Song, Fangyuan; Ding, Yong; Ma, Baochun; Wang, Changming; Wang, Qiang; Du, Xiaoqiang; Fu, Shao; Song, Jie","K7[CoIIICoII(H2O)W11O39]: a molecular mixed-valence Keggin polyoxometalate catalyst of high stability and efficiency for visible light-driven water oxidation","Energy & Environmental Science","2013","6","4","1170","","10.1039/c3ee24433d","","","0.71073","MoKα","","0.033","0.0284","","","0.0975","0.1008","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514856","7.5573","0.0008","14.3118","0.0015","22.254","0.002","90","","94.258","0.002","90","","2400.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorobis(3-allyl-1-butylimdazolium)palladium(II)","","- C20 H32 Cl2 N4 Pd -","- C20 H32 Cl2 N4 Pd -","- C80 H128 Cl8 N16 Pd4 -","4","1","","Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul","Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies.","Metallomics : integrated biometal science","2013","5","6","760","769","10.1039/c3mt00051f","","","0.71073","MoKα","","0.1016","0.0606","","","0.1744","0.1999","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514857","7.5862","0.0006","7.6268","0.0005","8.196","0.0005","78.976","0.001","73.148","0.002","69.472","0.001","422.9","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichlorobis(3-allyl-1-methylimidazolium)palladium(II)","","- C14 H20 Br0 Cl2 N4 Pd -","- C14 H20 Cl2 N4 Pd -","- C14 H20 Cl2 N4 Pd -","1","0.5","","Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul","Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies.","Metallomics : integrated biometal science","2013","5","6","760","769","10.1039/c3mt00051f","","","0.71073","MoKα","","0.052","0.0478","","","0.1408","0.1519","","","","","","1.237","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514858","11.629","0.003","8.662","0.002","16.71","0.003","90","","122.315","0.013","90","","1422.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorobis(3-benzyl-1-butylimdazolium)palladium(II)","","- C28 H36 Cl2 N4 Pd -","- C28 H36 Cl2 N4 Pd -","- C56 H72 Cl4 N8 Pd2 -","2","0.5","","Haque, Rosenani A.; Salman, Abbas Washeel; Budagumpi, Srinivasa; Abdullah, Amirul Al-Ashraf; Majid, Amin M S Abdul","Sterically tuned Ag(I)- and Pd(II)-N-heterocyclic carbene complexes of imidazol-2-ylidenes: synthesis, crystal structures, and in vitro antibacterial and anticancer studies.","Metallomics : integrated biometal science","2013","5","6","760","769","10.1039/c3mt00051f","","","0.71073","MoKα","","0.0599","0.0481","","","0.1542","0.1681","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514859","6.76","0.01","12.76","0.03","18.06","0.03","90","","92.31","0.04","90","","1557","5","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 H16 N10 O7 Pt2 -","- C2 H16 N10 O7 Pt2 -","- C8 H64 N40 O28 Pt8 -","4","1","","Komeda, Seiji; Takayama, Hiroshi; Suzuki, Toshihiro; Odani, Akira; Yamori, Takao; Chikuma, Masahiko","Synthesis of antitumor azolato-bridged dinuclear platinum(ii) complexes with in vivo antitumor efficacy and unique in vitro cytotoxicity profiles.","Metallomics : integrated biometal science","2013","5","5","461","468","10.1039/c3mt00040k","","","0.7107","MoKα","","0.0466","0.0418","","","0.1215","0.1247","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514860","12.8493","0.0004","6.2192","0.0002","20.5103","0.0006","90","","90","","90","","1639.03","0.09","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H16 Au Cl N2 -","- C19 H16 Au Cl N2 -","- C76 H64 Au4 Cl4 N8 -","4","1","","Citta, Anna; Schuh, Esther; Mohr, Fabian; Folda, Alessandra; Massimino, Maria Lina; Bindoli, Alberto; Casini, Angela; Rigobello, Maria Pia","Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights.","Metallomics : integrated biometal science","2013","5","8","1006","1015","10.1039/c3mt20260g","","","0.7107","MoKα","","0.0612","0.0441","","","0.0997","0.115","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514861","11.70626","0.00017","10.58915","0.00016","28.8363","0.0004","90","","94.201","0.0014","90","","3564.92","0.09","149.9","","149.9","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Ag2 Cl4 N4 -","- C39 H34 Ag2 Cl4 N4 -","- C156 H136 Ag8 Cl16 N16 -","4","1","","Citta, Anna; Schuh, Esther; Mohr, Fabian; Folda, Alessandra; Massimino, Maria Lina; Bindoli, Alberto; Casini, Angela; Rigobello, Maria Pia","Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights.","Metallomics : integrated biometal science","2013","5","8","1006","1015","10.1039/c3mt20260g","","","0.7107","MoKα","","0.0531","0.0413","","","0.0939","0.0996","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514862","7.9251","0.0004","8.3409","0.0004","11.1686","0.0006","97.746","0.003","110.719","0.003","95.6","0.003","675.77","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C30 H32 N4 O6 -","2","1","","Telpoukhovskaia, Maria A.; Patrick, Brian O.; Rodríguez-Rodríguez, Cristina; Orvig, Chris","Exploring the multifunctionality of thioflavin- and deferiprone-based molecules as acetylcholinesterase inhibitors for potential application in Alzheimer's disease.","Molecular bioSystems","2013","9","4","792","805","10.1039/c3mb25600f","","","0.71073","MoKα","","0.0552","0.0415","","","0.1079","0.1176","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514863","9.2499","0.0004","17.8481","0.0007","9.1282","0.0004","90","","115.046","0.001","90","","1365.3","0.1","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Telpoukhovskaia, Maria A.; Patrick, Brian O.; Rodríguez-Rodríguez, Cristina; Orvig, Chris","Exploring the multifunctionality of thioflavin- and deferiprone-based molecules as acetylcholinesterase inhibitors for potential application in Alzheimer's disease.","Molecular bioSystems","2013","9","4","792","805","10.1039/c3mb25600f","","","0.71073","MoKα","","0.0524","0.0378","","","0.0903","0.0985","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514864","9.7184","0.0004","13.6885","0.0006","10.8658","0.0005","90","","106.839","0.003","90","","1383.5","0.11","90","0.1","90","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 S -","- C16 H14 N2 O2 S -","- C64 H56 N8 O8 S4 -","4","1","","Telpoukhovskaia, Maria A.; Patrick, Brian O.; Rodríguez-Rodríguez, Cristina; Orvig, Chris","Exploring the multifunctionality of thioflavin- and deferiprone-based molecules as acetylcholinesterase inhibitors for potential application in Alzheimer's disease.","Molecular bioSystems","2013","9","4","792","805","10.1039/c3mb25600f","","","0.71073","MoKα","","0.0536","0.0371","","","0.0847","0.095","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514865","7.5969","0.0011","9.6007","0.0014","9.9994","0.0015","100.928","0.004","111.838","0.003","107.261","0.003","608.35","0.16","90","0.1","90","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C26 H30 N2 O6 -","2","1","","Telpoukhovskaia, Maria A.; Patrick, Brian O.; Rodríguez-Rodríguez, Cristina; Orvig, Chris","Exploring the multifunctionality of thioflavin- and deferiprone-based molecules as acetylcholinesterase inhibitors for potential application in Alzheimer's disease.","Molecular bioSystems","2013","9","4","792","805","10.1039/c3mb25600f","","","0.71073","MoKα","","0.0749","0.0502","","","0.1314","0.1473","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514866","25.054","","15.018","","19.103","","90","","94.07","","90","","7169.59","","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C119.81 H53.81 Cl1.25 N4 Ni Sc2 -","- C120.674 H54.262 Cl1.881 N4 Ni Sc1.997 -","- C482.696 H217.048 Cl7.524 N16 Ni4 Sc7.988 -","4","0.5","","Feng, Yongqiang; Wang, Taishan; Wu, Jingyi; Feng, Lai; Xiang, Junfeng; Ma, Yihan; Zhang, Zhuxia; Jiang, Li; Shu, Chunying; Wang, Chunru","Structural and electronic studies of metal carbide clusterfullerene Sc2C2@Cs-C72.","Nanoscale","2013","5","15","6704","6707","10.1039/c3nr01739g","","","0.71073","MoKα","","0.119","0.1055","","","0.2766","0.2906","","","","","","1.137","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514867","13.1176","0.001","5.17328","0.00011","17.1353","0.0012","90","","112.756","0.008","90","","1072.31","0.13","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21.5 H16.5 F6 O6 -","- C21.5 H16.5 F6 O6 -","- C43 H33 F12 O12 -","2","1","","Kataoka, Keisuke; Yasumoto, Tetsuaki; Manabe, Yousuke; Sato, Hiroyasu; Yamano, Akihito; Katagiri, Toshimasa","A molecular-sized tunnel-porous crystal with a ratchet gear structure and its one-way guest-molecule transportation property.","Nanoscale","2013","5","4","1298","1300","10.1039/c2nr30880k","","","1.54187","CuKα","","","0.0583","","","","0.1669","","","","","","1.135","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514868","13.308","0.006","5.176","0.003","15.272","0.007","90","","98.749","0.01","90","","1039.7","0.9","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H14 F6 O6 -","- C18 H14 F6 O6 -","- C36 H28 F12 O12 -","2","1","","Kataoka, Keisuke; Yasumoto, Tetsuaki; Manabe, Yousuke; Sato, Hiroyasu; Yamano, Akihito; Katagiri, Toshimasa","A molecular-sized tunnel-porous crystal with a ratchet gear structure and its one-way guest-molecule transportation property.","Nanoscale","2013","5","4","1298","1300","10.1039/c2nr30880k","","","0.71075","MoKα","","","0.1057","","","","0.3487","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514869","25.3878","0.0003","25.3878","0.0003","72.3758","0.0011","90","","90","","90","","46649.1","1.1","100","2","100","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C190 H130 Ag16 Cl4 F27.89 O0.13 P8 S14 -","- C190 H130 Ag16 Cl4 F27.918 O6 P8 S14 -","- C1520 H1040 Ag128 Cl32 F223.344 O48 P64 S112 -","8","0.5","","Yang, Huayan; Wang, Yu; Zheng, Nanfeng","Stabilizing subnanometer Ag(0) nanoclusters by thiolate and diphosphine ligands and their crystal structures.","Nanoscale","2013","5","7","2674","2677","10.1039/c3nr34328f","","","1.54184","CuKα","","0.0978","0.0694","","","0.1999","0.231","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514870","49.221","0.01","22.63","0.005","40.889","0.008","90","","120.01","0.03","90","","39439","18","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C322 H234 Ag32 Cl0 F72 O1.5 P11 S24 -","- C322 H234 Ag32 F72 O1.5 P11 S24 -","- C1288 H936 Ag128 F288 O6 P44 S96 -","4","0.5","","Yang, Huayan; Wang, Yu; Zheng, Nanfeng","Stabilizing subnanometer Ag(0) nanoclusters by thiolate and diphosphine ligands and their crystal structures.","Nanoscale","2013","5","7","2674","2677","10.1039/c3nr34328f","","","0.71073","MoKα","","0.0929","0.0646","","","0.1789","0.1935","","","","","","1.029","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514871","25.082","0.006","14.877","0.003","19.229","0.004","90","","93.881","0.003","90","","7159","3","90","2","90","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C114.75 H48.75 Cl0.75 N4 Ni Sm -","- C114.86 H48.86 Cl0.684 N4 Ni Sm0.996 -","- C459.44 H195.44 Cl2.736 N16 Ni4 Sm3.984 -","4","1","","Xu, Wei; Hao, Yajuan; Uhlik, Filip; Shi, Zujin; Slanina, Zdenêk; Feng, Lai","Structural and electrochemical studies of Sm@D3h-C74 reveal a weak metal-cage interaction and a small band gap species.","Nanoscale","2013","5","21","10409","10413","10.1039/c3nr03447j","","","0.71073","MoKα","","0.1326","0.1258","","","0.3312","0.3365","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1514872","9.9546","0.0007","9.6031","0.0007","12.4807","0.0009","90","","105.463","0.001","90","","1149.91","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N2 Se -","- C16 H8 N2 Se -","- C64 H32 N8 Se4 -","4","1","","Xiao, Jinchong; Xiao, Xuyu; Zhao, Yanlei; Wu, Bo; Liu, Zhenying; Zhang, Xuemin; Wang, Sujuan; Zhao, Xiaohui; Liu, Lei; Jiang, Li","Synthesis, physical properties and self-assembly behavior of azole-fused pyrene derivatives.","Nanoscale","2013","5","12","5420","5425","10.1039/c3nr00523b","","","0.71073","MoKα","","0.0303","0.0241","","","0.0609","0.0633","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514873","15.304","0.0015","15.304","0.0015","6.6658","0.0013","90","","90","","120","","1352.1","0.3","296","2","296","2","","","","","","","","5","P 3","P 3","143","","","","- C9 H26 N2 O12 Ti -","- C9 H26 N2 O12 Ti -","- C27 H78 N6 O36 Ti3 -","3","1","","Seisenbaeva, Gulaim A.; Daniel, Geoffrey; Nedelec, Jean-Marie; Kessler, Vadim G.","Solution equilibrium behind the room-temperature synthesis of nanocrystalline titanium dioxide.","Nanoscale","2013","5","8","3330","3336","10.1039/c3nr34068f","","","0.71073","MoKα","","0.0237","0.0219","","","0.0509","0.0516","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514874","8.1311","0.0002","15.2998","0.0004","14.1896","0.0004","90","","104.87","0.003","90","","1706.13","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H13 N O2 S2 -","- C23 H13 N O2 S2 -","- C92 H52 N4 O8 S8 -","4","1","","Sarker, Majher I.; Shahrin, Tasnuva; Steinmetz, Mark G.; Timerghazin, Qadir K.","Photochemical electrocyclic ring closure and leaving group expulsion from N-(9-oxothioxanthenyl)benzothiophene carboxamides.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2013","12","2","309","322","10.1039/c2pp25051a","","","1.5418","CuKα","","0.0416","0.0341","","","0.0861","0.0918","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514875","9.807","0.002","10.079","0.002","29.603","0.006","90","","90","","90","","2926.1","1","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C36 H27 N7 -","- C36 H27 N7 -","- C144 H108 N28 -","4","1","","Bahrenburg, Julia; Sievers, Claudia M.; Schönborn, Jan Boyke; Hartke, Bernd; Renth, Falk; Temps, Friedrich; Näther, Christian; Sönnichsen, Frank D","Photochemical properties of multi-azobenzene compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2013","12","3","511","518","10.1039/c2pp25291k","","","0.71073","MoKα","","0.0464","0.0337","","","0.0782","0.0838","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514876","13.322","0.004","13.735","0.004","14.199","0.004","67.748","0.005","63.947","0.005","64.564","0.005","2049.2","1","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 N6 O9 -","- C44 H52 N6 O9 -","- C88 H104 N12 O18 -","2","1","","Farrán, Angeles; Mohanraj, John; Clarkson, Guy J.; Claramunt, Rosa M.; Herranz, Fernando; Accorsi, Gianluca","Tuning photoinduced processes of covalently bound isoalloxazine and anthraquinone bichromophores.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2013","12","5","813","822","10.1039/c3pp25321j","","","0.71073","MoKα","","0.1164","0.0653","","","0.1623","0.186","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514877","7.28715","0.00018","29.6837","0.0006","14.4618","0.0004","90","","94.412","0.002","90","","3118.96","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N4 O7 -","- C38 H38 N4 O7 -","- C152 H152 N16 O28 -","4","1","","Farrán, Angeles; Mohanraj, John; Clarkson, Guy J.; Claramunt, Rosa M.; Herranz, Fernando; Accorsi, Gianluca","Tuning photoinduced processes of covalently bound isoalloxazine and anthraquinone bichromophores.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2013","12","5","813","822","10.1039/c3pp25321j","","","0.71073","MoKα","","0.0962","0.0674","","","0.162","0.1739","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514878","14.7145","0.0007","15.495","0.0008","15.5967","0.0006","72.967","0.004","77.681","0.004","71.913","0.005","3202.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N4 O7 -","- C38 H38 N4 O7 -","- C152 H152 N16 O28 -","4","2","","Farrán, Angeles; Mohanraj, John; Clarkson, Guy J.; Claramunt, Rosa M.; Herranz, Fernando; Accorsi, Gianluca","Tuning photoinduced processes of covalently bound isoalloxazine and anthraquinone bichromophores.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2013","12","5","813","822","10.1039/c3pp25321j","","","1.54184","CuKα","","0.0922","0.0461","","","0.0975","0.1069","","","","","","0.855","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514879","9.9199","0.0004","10.4905","0.0004","13.4316","0.0008","105.687","0.004","101.88","0.005","94.436","0.003","1303.68","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H16.5 N1.5 O9 Tb -","- C19.5 H16.5 N1.5 O9 Tb -","- C39 H33 N3 O18 Tb2 -","2","1","","Wang, Hong-Ming; Yang, Yang-Yi; Zeng, Cheng-Hui; Chu, Tian-Shu; Zhu, Yi-Min; Ng, Seik Weng","A highly luminescent terbium-organic framework for reversible detection of mercury ions in aqueous solution.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2013","12","9","1700","1706","10.1039/c3pp50105a","","","0.71073","MoKα","","0.0738","0.0521","","","0.149","0.1734","","","","","","1.065","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514880","6.8784","0.0005","8.2785","0.0006","8.5427","0.0006","78.119","0.003","87.93","0.003","88.399","0.003","475.61","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","","Unold, Jörg; Wang, Dongren; Frey, Wolfgang; Buchmeiser, Michael R.","Stereo- and regioselective cyclopolymerization of chiral 1,7-octadiynes","Polymer Chemistry","2013","4","15","4219","","10.1039/c3py00567d","","","1.54178","CuKα","","0.0584","0.0304","","","0.0758","0.0765","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514881","14.8047","0.0019","24.843","0.003","5.0851","0.0007","90","","101.707","0.006","90","","1831.4","0.4","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H14 O2 -","- C10 H14 O2 -","- C80 H112 O16 -","8","2","","Unold, Jörg; Wang, Dongren; Frey, Wolfgang; Buchmeiser, Michael R.","Stereo- and regioselective cyclopolymerization of chiral 1,7-octadiynes","Polymer Chemistry","2013","4","15","4219","","10.1039/c3py00567d","","","0.71073","MoKα","","0.0707","0.0416","","","0.112","0.1171","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514882","29.535","0.004","11.948","0.0014","15.335","0.0017","90","","96.899","0.007","90","","5372.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5s-Mes-ZnCl2","","- C27 H38 Cl2 N2 O1.5 Zn -","- C27 H38 Cl2 N2 O1.5 Zn -","- C216 H304 Cl16 N16 O12 Zn8 -","8","1","","Naumann, Stefan; Schmidt, Friedrich Georg; Frey, Wolfgang; Buchmeiser, Michael R.","Protected N-heterocyclic carbenes as latent pre-catalysts for the polymerization of ε-caprolactone","Polymer Chemistry","2013","4","15","4172","","10.1039/c3py00548h","","","0.71073","MoKα","","0.1076","0.0481","","","0.0639","0.071","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514883","21.045","0.003","24.936","0.003","30.425","0.004","90","","90","","90","","15966","4","100","2","100","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C71 H116 N4 O6 Y2 -","- C71 H116 N4 O6 Y2 -","- C568 H928 N32 O48 Y16 -","8","1","","Fang, Jian; Tschan, Mathieu J.-L.; Roisnel, Thierry; Trivelli, Xavier; Gauvin, Régis M.; Thomas, Christophe M.; Maron, Laurent","Yttrium catalysts for syndioselective β-butyrolactone polymerization: on the origin of ligand-induced stereoselectivity","Polymer Chemistry","2013","4","2","360","","10.1039/c2py20590d","","x-ray","0.71073","MoKα","","0.1566","0.0712","","","0.1631","0.1876","","","","","","0.894","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514884","17.848","0.004","16.102","0.003","22.302","0.005","90","","110.45","0.03","90","","6005","3","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C23 H26 N4 O2 -","- C23 H26 N4 O2 -","- C276 H312 N48 O24 -","12","6","","Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick","Latent catalysts based on guanidine templates for polyurethane synthesis","Polymer Chemistry","2013","4","4","904","","10.1039/c2py21006a","","","1.54178","CuKα","","0.1003","0.0601","","","0.161","0.2263","","","","","","0.793","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514885","10.154","0.002","10.801","0.002","11.233","0.002","69.9","0.03","85.34","0.03","70.13","0.03","1087.2","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N4 O2 -","- C25 H30 N4 O2 -","- C50 H60 N8 O4 -","2","1","","Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick","Latent catalysts based on guanidine templates for polyurethane synthesis","Polymer Chemistry","2013","4","4","904","","10.1039/c2py21006a","","","1.54178","CuKα","","0.0619","0.0545","","","0.1288","0.1572","","","","","","1.231","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514886","12.5135","0.0007","8.2914","0.0004","41.841","0.002","90","","90","","90","","4341.2","0.4","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 N5 O2 -","- C24 H29 N5 O2 -","- C192 H232 N40 O16 -","8","1","","Alsarraf, Jérome; Robert, Frédéric; Cramail, Henri; Landais, Yannick","Latent catalysts based on guanidine templates for polyurethane synthesis","Polymer Chemistry","2013","4","4","904","","10.1039/c2py21006a","","","1.54178","CuKα","","0.0751","0.0573","","","0.1516","0.1697","","","","","","1.266","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514887","11.2993","0.0015","7.8614","0.0011","14.373","0.002","90","","94.716","0.01","90","","1272.4","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H41 N3 O3 -","- C27 H41 N3 O3 -","- C54 H82 N6 O6 -","2","1","","Li, Weina; Tian, Tian; Zhu, Wei; Cui, Jiecheng; Ju, Yong; Li, Guangtao","Metal-free click approach for facile production of main chain poly(bile acid)s","Polymer Chemistry","2013","4","10","3057","","10.1039/c3py00180f","","","0.71073","MoKα","","0.0529","0.0398","","","0.0769","0.082","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514888","9.908","0.0002","10.7787","0.0003","12.7321","0.0003","97.6691","0.0012","94.7545","0.0014","115.897","0.0011","1196.95","0.05","120","","120","","","","","","","","","2","P -1","-P 1","2","","","","- C36 H26 -","- C36 H26 -","- C72 H52 -","2","1","","Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus","π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization","Polymer Chemistry","2013","4","10","2963","","10.1039/c3py00166k","","","0.71073","MoKα","","0.0645","0.0482","","0.0806","0.059","0.059","","","","","","1.0869","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514889","7.5317","0.0007","21.0519","0.0009","17.7743","0.0008","90","","94.802","0.005","90","","2808.3","0.3","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H25 Cl3 -","- C36.5 H25 Cl3 -","- C146 H100 Cl12 -","4","1","","Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus","π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization","Polymer Chemistry","2013","4","10","2963","","10.1039/c3py00166k","","","0.71073","MoKα","","0.0856","0.0464","","0.3077","0.0571","0.0571","","","","","","1.1215","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514890","7.3789","0.0002","22.1571","0.0008","16.3043","0.0005","90","","102.057","0.0018","90","","2606.87","0.14","120","","120","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 -","- C38 H30 -","- C152 H120 -","4","0.5","","Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus","π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization","Polymer Chemistry","2013","4","10","2963","","10.1039/c3py00166k","","","0.71073","MoKα","","0.0733","0.0423","","0.0661","0.0502","0.0502","","","","","","1.1061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514891","13.8723","0.0004","17.3314","0.0003","37.589","0.0005","90","","90","","90","","9037.4","0.3","250","","250","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C52 H56 Cl2 -","- C52 H56 Cl2 -","- C416 H448 Cl16 -","8","0.25","","Schlütter, Florian; Nishiuchi, Tomohiko; Enkelmann, Volker; Müllen, Klaus","π-Congested poly(paraphenylene) from 2,2′,6,6′-tetraphenyl-1,1′-biphenyl units: synthesis and structural characterization","Polymer Chemistry","2013","4","10","2963","","10.1039/c3py00166k","","","0.71073","MoKα","","0.1039","0.0601","","0.1617","0.0766","0.0766","","","","","","1.0121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514892","6.1133","0.0009","6.1133","0.0009","52.627","0.011","90","","90","","90","","1966.8","0.6","200","2","200.15","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C23 H19 N7 -","- C23 H19 N7 -","- C92 H76 N28 -","4","0.5","","Lang, Christiane; Pahnke, Kai; Kiefer, Claude; Goldmann, Anja S.; Roesky, Peter W.; Barner-Kowollik, Christopher","Consecutive modular ligation as an access route to palladium containing polymers","Polymer Chemistry","2013","4","21","5456","","10.1039/c3py00648d","","","0.71073","MoKα","","0.0775","0.0375","","","0.0648","0.0742","","","","","","0.899","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514893","8.6458","0.0017","13.837","0.003","17.394","0.004","109.67","0.03","102.9","0.03","95.46","0.03","1876.8","0.9","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H37 Cl4 N7 O3 Pd2 S3 -","- C29 H37 Cl4 N7 O3 Pd2 S3 -","- C58 H74 Cl8 N14 O6 Pd4 S6 -","2","1","","Lang, Christiane; Pahnke, Kai; Kiefer, Claude; Goldmann, Anja S.; Roesky, Peter W.; Barner-Kowollik, Christopher","Consecutive modular ligation as an access route to palladium containing polymers","Polymer Chemistry","2013","4","21","5456","","10.1039/c3py00648d","","","0.71073","MoKα","","0.1137","0.0797","","","0.1915","0.2102","","","","","","0.952","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514894","18.951","0.004","14.595","0.003","20.257","0.004","90","","90","","90","","5603","2","93","","93","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C76 H68 N2 O2 -","- C76 H68 N2 O2 -","- C304 H272 N8 O8 -","4","1","","Brulé, Emilie; Guérineau, Vincent; Vermaut, Philippe; Prima, Frédéric; Balogh, Janos; Maron, Laurent; Slawin, Alexandra M. Z.; Nolan, Steven P.; Thomas, Christophe M.","Polymerization of cyclic esters using N-heterocyclic carbene carboxylate catalysts","Polymer Chemistry","2013","4","8","2414","","10.1039/c3py00108c","","","0.71075","MoKα","","","0.1013","","","","0.3161","","","","","","1.319","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514895","18.397","0.002","8.5233","0.001","11.0281","0.0007","90","","90.413","0.007","90","","1729.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 Br2 N2 O2 S2 -","- C38 H38 Br2 N2 O2 S2 -","- C76 H76 Br4 N4 O4 S4 -","2","0.5","","Zhang, Haichang; Welterlich, Irina; Neudörfl, Jörg-Martin; Tieke, Bernd; Yang, Chao; Chen, Xuegang; Yang, Wenjun","Synthesis and characterization of 1,3,4,6-tetraarylpyrrolo[3,2-b]-pyrrole-2,5-dione (isoDPP)-based donor‒acceptor polymers with low band gap","Polymer Chemistry","2013","4","17","4682","","10.1039/c3py00570d","","","0.71073","MoKα","","0.1138","0.045","","","0.0871","0.1223","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514896","10.9975","0.0011","12.3835","0.0011","13.3184","0.0012","65.237","0.004","75.393","0.004","69.574","0.004","1531.4","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H51 Al O2 -","- C32 H51 Al O2 -","- C64 H102 Al2 O4 -","2","1","","Descour, Camille; Sciarone, Timo J. J.; Cavallo, Dario; Macko, Tibor; Kelchtermans, Mauritz; Korobkov, Ilia; Duchateau, Robbert","Exploration of the effect of 2,6-(t-Bu)2-4-Me-C6H2OH (BHT) in chain shuttling polymerization","Polymer Chemistry","2013","4","17","4718","","10.1039/c3py00506b","","","0.71073","MoKα","","0.0666","0.0553","","","0.1566","0.1718","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514897","17.7224","0.0011","9.6794","0.0006","19.248","0.0011","90","","90","","90","","3301.8","0.3","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H56 O2 Zn2 -","- C34 H56 O2 Zn2 -","- C136 H224 O8 Zn8 -","4","0.5","","Descour, Camille; Sciarone, Timo J. J.; Cavallo, Dario; Macko, Tibor; Kelchtermans, Mauritz; Korobkov, Ilia; Duchateau, Robbert","Exploration of the effect of 2,6-(t-Bu)2-4-Me-C6H2OH (BHT) in chain shuttling polymerization","Polymer Chemistry","2013","4","17","4718","","10.1039/c3py00506b","","","0.71073","MoKα","","0.0372","0.0289","","","0.075","0.0827","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514898","15.9739","0.0006","13.3946","0.0004","15.1964","0.0005","90","","108.737","0.001","90","","3079.16","0.18","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Br2 N3 O4 S2 -","- C30 H35 Br2 N3 O4 S2 -","- C120 H140 Br8 N12 O16 S8 -","4","1","","Neo, Wei Teng; Loo, Lee May; Song, Jing; Wang, Xiaobai; Cho, Ching Mui; On Chan, Hardy Sze; Zong, Yun; Xu, Jianwei","Solution-processable blue-to-transmissive electrochromic benzotriazole-containing conjugated polymers","Polymer Chemistry","2013","4","17","4663","","10.1039/c3py00677h","","","0.71073","MoKα","","0.0694","0.0383","","","0.0915","0.1062","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514899","16.2658","0.0017","9.9841","0.0011","21.212","0.002","90","","108.293","0.005","90","","3270.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","compound 6-Dipp-Co2","","- C31 H44 Cl4 N2 O2 -","- C31 H44 Cl4 N2 O2 -","- C124 H176 Cl16 N8 O8 -","4","0.5","","Naumann, Stefan; Schmidt, Friedrich Georg; Schowner, Roman; Frey, Wolfgang; Buchmeiser, Michael R.","Polymerization of methyl methacrylate by latent pre-catalysts based on CO2-protected N-heterocyclic carbenes","Polymer Chemistry","2013","4","9","2731","","10.1039/c3py00073g","","","0.71073","MoKα","","0.0614","0.0447","","","0.1162","0.1221","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514900","8.957","0.0002","11.1473","0.0003","12.7782","0.0004","80.558","0.002","89.54","0.002","86.557","0.002","1256.3","0.06","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O4 -","- C32 H24 O4 -","- C64 H48 O8 -","2","1","","Hu, Rongrong; Lam, Jacky W. Y.; Yu, Yong; Sung, Herman H. Y.; Williams, Ian D.; Yuen, Matthew M. F.; Tang, Ben Zhong","Facile synthesis of soluble nonlinear polymers with glycogen-like structures and functional properties from “simple” acrylic monomers","Polymer Chemistry","2013","4","1","95","","10.1039/c2py20485a","","","1.54178","CuKα","","0.0423","0.0375","","","0.102","0.1048","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514901","9.5026","0.0011","12.2523","0.0014","12.4543","0.0008","98.109","0.007","110.976","0.008","105.891","0.01","1255.2","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H24 O4 -","- C32 H24 O4 -","- C64 H48 O8 -","2","1","","Hu, Rongrong; Lam, Jacky W. Y.; Yu, Yong; Sung, Herman H. Y.; Williams, Ian D.; Yuen, Matthew M. F.; Tang, Ben Zhong","Facile synthesis of soluble nonlinear polymers with glycogen-like structures and functional properties from “simple” acrylic monomers","Polymer Chemistry","2013","4","1","95","","10.1039/c2py20485a","","","1.54178","CuKα","","0.0637","0.0505","","","0.1425","0.1498","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514902","17.33","0.008","9.333","0.004","13.964","0.006","90","","99.064","0.006","90","","2230.3","1.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H22 O4 -","- C31 H22 O4 -","- C124 H88 O16 -","4","0.5","","Hu, Rongrong; Lam, Jacky W. Y.; Yu, Yong; Sung, Herman H. Y.; Williams, Ian D.; Yuen, Matthew M. F.; Tang, Ben Zhong","Facile synthesis of soluble nonlinear polymers with glycogen-like structures and functional properties from “simple” acrylic monomers","Polymer Chemistry","2013","4","1","95","","10.1039/c2py20485a","","","0.71073","MoKα","","0.0635","0.0527","","","0.1109","0.1159","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514903","12.847","0.003","7.442","0.0015","13.875","0.003","90","","106.04","0.03","90","","1274.9","0.5","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","4","","","- C22 H39 Na O9 S -","- C22 H39 Na O9 S -","- C44 H78 Na2 O18 S2 -","2","1","","Zhang, Tao; Wu, Ya; Gao, Lihong; Song, Zhongtai; Zhao, Li; Zhang, Yunxiao; Tao, Jingchao","A novel Na+ coordination mediated supramolecular organogel based on isosteviol: water-assisted self-assembly, in situ forming and selective gelation abilities","Soft Matter","2013","9","3","638","","10.1039/c2sm27062e","","","0.71073","MoKα","","0.0567","0.0482","","","0.1092","0.1141","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514904","7.35356","0.00014","22.3698","0.0004","28.078","0.0006","90","","90","","90","","4618.77","0.16","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 Na O7 S -","- C22 H33 Na O7 S -","- C176 H264 Na8 O56 S8 -","8","2","","Zhang, Tao; Wu, Ya; Gao, Lihong; Song, Zhongtai; Zhao, Li; Zhang, Yunxiao; Tao, Jingchao","A novel Na+ coordination mediated supramolecular organogel based on isosteviol: water-assisted self-assembly, in situ forming and selective gelation abilities","Soft Matter","2013","9","3","638","","10.1039/c2sm27062e","","","1.5418","CuKα","","0.065","0.0601","","","0.1561","0.1604","","","","","","1.001","","","","has coordinates,has disorder","282761","2023-04-20","06:45:55",""
"1515358","7.0069","0.0004","12.8404","0.0007","12.4298","0.0007","90","","92.9276","0.0005","90","","1116.87","0.11","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cl2 Ru S -","- C10 H14 Cl2 Ru S -","- C40 H56 Cl8 Ru4 S4 -","4","1","","Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin","Direct observation of a cationic ruthenium complex for ethylene insertion polymerization","Chemical Science","2013","4","7","2902","","10.1039/c3sc50676b","","","0.71073","MoKα","","0.0163","0.0159","","","0.041","0.0413","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515359","6.8375","0.0003","13.5463","0.0005","12.8712","0.0005","90","","93.878","0.0004","90","","1189.44","0.08","88","2","88","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Ru S -","- C12 H20 Ru S -","- C48 H80 Ru4 S4 -","4","1","","Camacho-Fernandez, Miguel A.; Yen, Max; Ziller, Joseph W.; Guan, Zhibin","Direct observation of a cationic ruthenium complex for ethylene insertion polymerization","Chemical Science","2013","4","7","2902","","10.1039/c3sc50676b","","","0.71073","MoKα","","0.0179","0.0171","","","0.0418","0.0422","","","","","","1.092","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1515360","13.987","0.007","8.17","0.004","24.959","0.012","90","","90","","90","","2852","2","100","2","100","2","","","","","","","Nathalie Busschaert","5","P b c n","-P 2n 2ab","60","","","","- C13 H19 Cl N2 S -","- C13 H19 Cl N2 S -","- C104 H152 Cl8 N16 S8 -","8","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1033","0.0914","","","0.1303","0.1342","","","","","","1.324","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515361","5.2833","0.0005","14.9019","0.0015","18.0119","0.0018","91.957","0.007","95.987","0.007","92.116","0.007","1408.4","0.2","100","2","100","2","","","","","","","Nathalie Busschaert Marco Wenzel","5","P -1","-P 1","2","","","","- C13 H19 N3 O2 S -","- C13 H19 N3 O2 S -","- C52 H76 N12 O8 S4 -","4","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0359","0.0321","","","0.0849","0.0874","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515362","7.466","0.003","8.049","0.003","13.472","0.005","82.276","0.009","82.154","0.01","63.734","0.008","716.7","0.5","100","2","100","2","","","","","","","Nathalie Busschaert Marco Wenzel","4","P -1","-P 1","2","","","","- C14 H19 N3 S -","- C14 H19 N3 S -","- C28 H38 N6 S2 -","2","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1143","0.1018","","","0.2625","0.2781","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515363","10.731","0.003","8.475","0.002","16.092","0.004","90","","102.01","0.007","90","","1431.5","0.6","100","2","100","2","","","","","","","Nathalie Busschaert","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N2 S -","- C14 H22 N2 S -","- C56 H88 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1123","0.098","","","0.3033","0.3108","","","","","","1.15","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515364","11.0875","0.0008","7.4703","0.0006","37.579","0.003","90","","100.356","0.007","90","","3061.8","0.4","100","2","100","2","","","","","","","Nathalie Busschaert","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 S -","- C15 H22 N2 O2 S -","- C120 H176 N16 O16 S8 -","8","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1527","0.0864","","","0.2149","0.2537","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515365","13.298","0.008","13.278","0.006","8.673","0.004","90","","91.912","0.018","90","","1530.5","1.4","100","2","100","2","","","","","","","Nathalie Busschaert Stephen Moore","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 F3 N2 S -","- C14 H19 F3 N2 S -","- C56 H76 F12 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0888","0.0549","","","0.1192","0.1325","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515366","17.3563","0.0008","7.8428","0.0003","21.0265","0.0015","90","","97.599","0.007","90","","2837","0.3","100","2","100","2","","","","","","","Nathalie Busschaert","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Br N2 S -","- C13 H19 Br N2 S -","- C104 H152 Br8 N16 S8 -","8","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0523","0.0328","","","0.0662","0.0739","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515367","17.405","0.012","8.732","0.006","17.612","0.012","90","","90","","90","","2677","3","100","2","100","2","","","","","","","Nathalie Busschaert Samuel J. Bradberry","5","P c a 21","P 2c -2ac","29","","","","- C13 H19 F N2 S -","- C13 H19 F N2 S -","- C104 H152 F8 N16 S8 -","8","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0822","0.0693","","","0.1303","0.1367","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515368","5.553","0.004","9.157","0.008","30.91","0.03","90","","93.215","0.008","90","","1569","2","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N2 O2 S -","- C15 H22 N2 O2 S -","- C60 H88 N8 O8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0848","0.0724","","","0.1729","0.1805","","","","","","1.187","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515369","8.39","0.01","9.689","0.011","19.62","0.02","93.19","0.02","101.167","0.018","90.09","0.03","1562","3","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P -1","-P 1","2","","","","- C15 H24 N2 O S -","- C15 H24 N2 O S -","- C60 H96 N8 O4 S4 -","4","2","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1467","0.097","","","0.1868","0.2111","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515370","11.4798","0.0008","8.4051","0.0006","15.6294","0.0011","90","","102.55","0.007","90","","1472.03","0.18","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 I N2 S -","- C13 H19 I N2 S -","- C52 H76 I4 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0327","0.025","","","0.0541","0.0562","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515371","5.2392","0.0004","11.02","0.0009","14.5788","0.0011","75.946","0.005","79.884","0.006","79.501","0.006","795.2","0.11","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","6","P -1","-P 1","2","","","","- C15 H19 F3 N2 O S -","- C15 H19 F3 N2 O S -","- C30 H38 F6 N4 O2 S2 -","2","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.0376","0.0331","","","0.0878","0.0952","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515372","36.04","0.005","4.347","0.005","9.59","0.005","90","0.005","95.3","0.005","90","0.005","1496","1.9","100","2","100","2","","","","","","","Nathalie Busschaert","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 N2 O S -","- C14 H22 N2 O S -","- C56 H88 N8 O4 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.6889","","","0.1509","0.0993","","","0.2443","0.2973","","","","","","0.953","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515373","13.07","0.02","13.28","0.03","8.885","0.018","90","","93.56","0.02","90","","1539","5","100","2","100","2","","","","","","","Nathalie Busschaert","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N2 S -","- C15 H24 N2 S -","- C60 H96 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.6889","","","0.1794","0.1039","","","0.2559","0.3229","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515374","22.536","0.005","7.7393","0.0016","9.223","0.002","90","","98.488","0.007","90","","1591","0.6","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N2 S -","- C16 H26 N2 S -","- C64 H104 N8 S4 -","4","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1934","0.0788","","","0.1361","0.1688","","","","","","0.935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515375","7.756","0.006","10.12","0.007","37.38","0.03","90","","90","","90","","2934","4","100","2","100","2","","","","","","","Nathalie Busschaert Jennifer R. Hiscock","5","P b c a","-P 2ac 2ab","61","","","","- C15 H22 N2 O S -","- C15 H22 N2 O S -","- C120 H176 N16 O8 S8 -","8","1","","Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.","Towards predictable transmembrane transport: QSAR analysis of anion binding and transport","Chemical Science","2013","4","8","3036","","10.1039/c3sc51023a","","","0.71075","MoKα","","0.1142","0.097","","","0.2373","0.2504","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515376","12.9659","0.0004","12.9659","0.0004","9.2692","0.0003","90","","90","","120","","1349.52","0.07","293","2","293","2","","","","","","","","3","P 31","P 31","144","","","","- F24 Na6 Sc6 -","- F24 Na6 Sc6 -","- F72 Na18 Sc18 -","3","1","","Ai, Yu; Tu, Datao; Zheng, Wei; Liu, Yongsheng; Kong, Jintao; Hu, Ping; Chen, Zhuo; Huang, Mingdong; Chen, Xueyuan","Lanthanide-doped NaScF4 nanoprobes: crystal structure, optical spectroscopy and biodetection.","Nanoscale","2013","5","14","6430","6438","10.1039/c3nr01529g","","","0.71073","MoKα","","0.0466","0.0437","","","0.1288","0.1332","","","","","","0.975","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515384","3.9559","0.0003","20.3303","0.0014","18.2471","0.0013","90","","95.041","0.001","90","","1461.84","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","resveratrol tricyanate","","","- C17 H9 N3 O3 -","- C17 H9 N3 O3 -","- C68 H36 N12 O12 -","4","1","","Cash, Jessica J.; Davis, Matthew C.; Ford, Michael D.; Groshens, Thomas J.; Guenthner, Andrew J.; Harvey, Benjamin G.; Lamison, Kevin R.; Mabry, Joseph M.; Meylemans, Heather A.; Reams, Josiah T.; Sahagun, Christopher M.","High Tg thermosetting resins from resveratrol","Polymer Chemistry","2013","4","13","3859","","10.1039/c3py00438d","","","0.71073","MoKα","","0.0947","0.0461","","","0.0966","0.1208","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515385","4.4993","0.0002","19.1442","0.0008","17.708","0.0007","90","","93.733","0.001","90","","1522.05","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dihydroresveratrol tricyanate","","","- C17 H11 N3 O3 -","- C17 H11 N3 O3 -","- C68 H44 N12 O12 -","4","1","","Cash, Jessica J.; Davis, Matthew C.; Ford, Michael D.; Groshens, Thomas J.; Guenthner, Andrew J.; Harvey, Benjamin G.; Lamison, Kevin R.; Mabry, Joseph M.; Meylemans, Heather A.; Reams, Josiah T.; Sahagun, Christopher M.","High Tg thermosetting resins from resveratrol","Polymer Chemistry","2013","4","13","3859","","10.1039/c3py00438d","","","0.71073","MoKα","","0.0569","0.039","","","0.1018","0.1164","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515386","9.1861","0.0012","13.055","0.0017","13.3338","0.0017","75.872","0.003","81.166","0.003","89.59","0.003","1531.5","0.3","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H34 N3 O5 -","- C35 H34 N3 O5 -","- C70 H68 N6 O10 -","2","1","","Astolfi, Paola; Greci, Lucedio; Stipa, Pierluigi; Rizzoli, Corrado; Ysacco, Cedric; Rollet, Marion; Autissier, Laurent; Tardy, Antoine; Guillaneuf, Yohann; Gigmes, Didier","Indolinic nitroxides: evaluation of their potential as universal control agents for nitroxide mediated polymerization","Polymer Chemistry","2013","4","13","3694","","10.1039/c3py00368j","","","0.71073","MoKα","","0.1915","0.0533","","","0.0508","0.0648","","","","","","0.87","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515387","37.756","0.004","11.9135","0.0011","27.853","0.005","90","","129.968","0.001","90","","9602","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H60 Br2 O10 -","- C51 H60 Br2 O10 -","- C408 H480 Br16 O80 -","8","1","","Wang, Xiaoyang; Han, Kang; Li, Jian; Jia, Xueshun; Li, Chunju","Pillar[5]arene‒neutral guest recognition based supramolecular alternating copolymer containing [c2]daisy chain and bis-pillar[5]arene units","Polymer Chemistry","2013","4","14","3998","","10.1039/c3py00462g","","","0.71073","MoKα","","0.0627","0.0413","","","0.1136","0.1223","","","","","","1.065","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516003","7.1785","0.0005","10.0813","0.0015","17.096","0.002","90","","90","","90","","1237.2","0.2","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H17 N5 O6 -","- C10 H17 N5 O6 -","- C40 H68 N20 O24 -","4","1","","Clinch, Keith; Watt, Derek K.; Dixon, Rachel A.; Baars, Sylvia M.; Gainsford, Graeme J.; Tiwari, Ashish; Schwarz, Günter; Saotome, Yas; Storek, Michael; Belaidi, Abdel A.; Santamaria-Araujo, Jose A","Synthesis of cyclic pyranopterin monophosphate, a biosynthetic intermediate in the molybdenum cofactor pathway.","Journal of medicinal chemistry","2013","56","4","1730","1738","10.1021/jm301855r","","","1.54178","CuKα","","0.0314","0.0283","","","0.072","0.0742","","","","","","1.071","","","","has coordinates","288505","2023-12-22","15:12:00",""
"1516004","7.436","0.002","10.803","0.003","21.663","0.006","90","","90","","90","","1740.2","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O7 -","- C20 H22 O7 -","- C80 H88 O28 -","4","1","","Bautista, Elihú; Toscano, Alfredo; Calzada, Fernando; Díaz, Eduardo; Yépez-Mulia, Lilian; Ortega, Alfredo","Hydroxyclerodanes from Salvia shannoni.","Journal of natural products","2013","76","10","1970","1975","10.1021/np400606g","","","0.71073","MoKα","","0.0807","0.0521","","","0.1069","0.1186","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516005","7.47","0.0007","8.2128","0.0007","28.215","0.003","90","","90","","90","","1731","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","","Bautista, Elihú; Toscano, Alfredo; Calzada, Fernando; Díaz, Eduardo; Yépez-Mulia, Lilian; Ortega, Alfredo","Hydroxyclerodanes from Salvia shannoni.","Journal of natural products","2013","76","10","1970","1975","10.1021/np400606g","","","0.71073","MoKα","","0.0532","0.0442","","","0.1058","0.1097","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516006","9.581","0.0001","10.936","0.0001","26.3804","0.0002","90","","90","","90","","2764.08","0.04","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H30 N4 O7 -","- C29 H30 N4 O7 -","- C116 H120 N16 O28 -","4","1","","Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41.","Journal of natural products","2013","76","6","1133","1140","10.1021/np400200k","","","1.54184","CuKα","","0.0289","0.0281","","","0.0754","0.0763","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516007","12.4363","0.0002","13.6529","0.0002","15.6264","0.0002","90","","90","","90","","2653.23","0.07","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 N5 O5 -","- C28 H31 N5 O5 -","- C112 H124 N20 O20 -","4","1","","Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41.","Journal of natural products","2013","76","6","1133","1140","10.1021/np400200k","","","1.54184","CuKα","","0.0437","0.0411","","","0.1203","0.1245","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516008","10.8171","0.0004","6.2921","0.0003","15.093","0.0005","90","","96.093","0.003","90","","1021.46","0.07","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N4 O4 -","- C23 H22 N4 O4 -","- C46 H44 N8 O8 -","2","1","","Peng, Jixing; Lin, Tao; Wang, Wei; Xin, Zhihong; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai","Antiviral alkaloids produced by the mangrove-derived fungus Cladosporium sp. PJX-41.","Journal of natural products","2013","76","6","1133","1140","10.1021/np400200k","","","1.54184","CuKα","","0.0517","0.0476","","","0.1282","0.1336","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516009","7.2956","0.0015","10.729","0.002","18.181","0.004","90","","90","","90","","1423.1","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Liu, Yue; Ma, JiangHao; Zhao, Qian; Liao, ChunRu; Ding, LiQin; Chen, LiXia; Zhao, Feng; Qiu, Feng","Guaiane-type sesquiterpenes from Curcuma phaeocaulis and their inhibitory effects on nitric oxide production.","Journal of natural products","2013","76","6","1150","1156","10.1021/np400202f","","","0.71073","MoKα","","0.0559","0.0465","","","0.1144","0.1193","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516010","9.003","0.003","8.28","0.005","18.182","0.005","90","","90","","90","","1355.4","1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 O3 -","- C15 H21 O3 -","- C60 H84 O12 -","4","1","","Zhang, Yan; Liu, Yun-Bao; Li, Yong; Ma, Shuang-Gang; Li, Li; Qu, Jing; Zhang, Dan; Chen, Xiao-Guang; Jiang, Jian-Dong; Yu, Shi-Shan","Sesquiterpenes and alkaloids from the roots of Alangium chinense.","Journal of natural products","2013","76","6","1058","1063","10.1021/np4000747","","","1.54187","CuKα","","0.0516","0.0455","","","0.124","0.1321","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516011","20.0401","0.0008","20.0401","0.0008","9.4689","0.0004","90","","90","","90","","3802.8","0.3","100","2","100","2","","","","","","","","3","I 4","I 4","79","","","","- C20 H32 O4 -","- C20 H30 O4 -","- C160 H240 O32 -","8","1","","Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi","Diterpenoids from the twigs and leaves of Fokienia hodginsii.","Journal of natural products","2013","76","6","1032","1038","10.1021/np400010c","","","1.54178","CuKα","","0.0522","0.0506","","","0.1354","0.1368","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516012","8.314","0.0002","10.5467","0.0003","20.9187","0.0006","90","","90","","90","","1834.26","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C80 H128 O8 -","4","1","","Wu, Xing-De; He, Juan; Li, Xing-Yao; Dong, Liao-Bin; Gong, Xun; Song, Liu-Dong; Li, Yan; Peng, Li-Yan; Zhao, Qin-Shi","Diterpenoids from the twigs and leaves of Fokienia hodginsii.","Journal of natural products","2013","76","6","1032","1038","10.1021/np400010c","","","1.54178","CuKα","","0.0345","0.0343","","","0.0979","0.0981","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516013","8.063","0.0001","14.9648","0.0002","20.7157","0.0002","90","","90","","90","","2499.58","0.05","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 O7 -","- C26 H34 O7 -","- C104 H136 O28 -","4","1","","Zhang, Yao; Wang, Jun-Song; Wei, Dan-Dan; Gu, Yu-Cheng; Wang, Xiao-Bing; Kong, Ling-Yi","Bioactive terpenoids from the fruits of Aphanamixis grandifolia.","Journal of natural products","2013","76","6","1191","1195","10.1021/np400126q","","","1.54184","CuKα","","0.0391","0.0385","","","0.1116","0.1128","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516014","6.4698","0.0002","15.2985","0.0003","26.1064","0.0005","90","","90","","90","","2583.97","0.11","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 O9 -","- C28 H38 O9 -","- C112 H152 O36 -","4","1","","Zhang, Yao; Wang, Jun-Song; Wei, Dan-Dan; Gu, Yu-Cheng; Wang, Xiao-Bing; Kong, Ling-Yi","Bioactive terpenoids from the fruits of Aphanamixis grandifolia.","Journal of natural products","2013","76","6","1191","1195","10.1021/np400126q","","","1.54184","CuKα","","0.0335","0.0328","","","0.0889","0.0899","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516016","5.1687","0.0006","8.202","0.001","21.516","0.002","90","","90","","90","","912.14","0.18","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","L-cysteine ethyl ester hydrochloride","","- C5 H12 Cl N O2 S -","- C5 H12 Cl N O2 S -","- C20 H48 Cl4 N4 O8 S4 -","4","1","","Defonsi Lestard, M. E.; Díaz, S B; Puiatti, M.; Echeverría, G A; Piro, O. E.; Pierini, A. B.; Ben Altabef, A.; Tuttolomondo, M. E.","Vibrational and structural behavior of (L)-cysteine ethyl ester hydrochloride in the solid state and in aqueous solution.","The journal of physical chemistry. A","2013","117","51","14243","14252","10.1021/jp409252d","","","1.54184","CuKα","","0.0395","0.0375","","","0.1068","0.1095","","","","","","1.14","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516017","5.59928","0.0001","24.2233","0.0005","19.9883","0.0004","90","","91.9071","0.0008","90","","2709.57","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3.33333 N6 O2.66667 -","- C8 H3.33333 N6 O2.66667 -","- C96 H40 N72 O32 -","12","3","","Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki","Structural and spectroscopic study of 6,7-dicyano-substituted lumazine with high electron affinity and proton acidity.","The journal of physical chemistry. A","2013","117","17","3614","3624","10.1021/jp401528c","","","1.54187","CuKα","","","0.0397","","","","0.1121","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516018","5.04229","0.00017","18.3451","0.0005","12.8083","0.0004","90","","97.227","0.003","90","","1175.37","0.06","106","2","106","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H30 N4 O7 S2 -","- C19 H30 N4 O7 S2 -","- C38 H60 N8 O14 S4 -","2","1","","Li, Fee; Bravo-Rodriguez, Kenny; Phillips, Charlotte; Seidel, Rüdiger W; Wieberneit, Florian; Stoll, Raphael; Doltsinis, Nikos L.; Sanchez-Garcia, Elsa; Sander, Wolfram","Conformation and dynamics of a cyclic disulfide-bridged peptide: effects of temperature and solvent.","The journal of physical chemistry. B","2013","117","13","3560","3570","10.1021/jp4007334","","","0.71073","MoKα","","0.052","0.0372","","","0.0662","0.0709","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516019","10.973","0.001","10.973","0.001","17.049","0.002","90","","90","","120","","1777.8","0.3","290","","290","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- B9 Ba Li O15 -","- B9 Ba Li O15 -","- B54 Ba6 Li6 O90 -","6","0.333333","","Reshak, A. H.; Chen, Xuean; Auluck, S.; Kamarudin, H.; Chyský, Jan; Wojciechowski, A.; Kityk, I. V.","Linear and nonlinear optical susceptibilities and the hyperpolarizability of borate LiBaB9O15 single-crystal: theory and experiment.","The journal of physical chemistry. B","2013","117","45","14141","14150","10.1021/jp4077905","","","0.71073","MoKα","","0.0151","0.0131","","","0.035","0.0354","","","","","","1.137","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516318","18.0373","0.0004","18.0373","0.0004","18.0373","0.0004","90","","90","","90","","5868.3","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","I -4 3 d","I -4bd 2c 3","220","","","","- C25 H16 N4 O4 -","- C25 H16 N4 O4 -","- C300 H192 N48 O48 -","12","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.0318","0.0317","","","0.0786","0.079","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516319","13.1545","0.0015","13.1545","0.0015","7.9818","0.0009","90","","90","","90","","1381.2","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -4 b 2","P -4 -2ab","117","","","","- C25 H16 N4 O4 -","- C25 H16 N4 O4 -","- C50 H32 N8 O8 -","2","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.0892","0.0807","","","0.2344","0.2417","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516320","13.421","0.003","13.421","0.003","8.528","0.0019","90","","90","","90","","1536.1","0.6","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -4 b 2","P -4 -2ab","117","","","","- C24 H16 N4 O4 Si -","- C24 H16 N4 O4 Si -","- C48 H32 N8 O8 Si2 -","2","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.1102","0.0494","","","0.1023","0.1221","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516321","15.7703","0.0005","15.7703","0.0005","7.0717","0.0002","90","","90","","90","","1758.75","0.09","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 42/n :2","-P 4bc","86","","","","- C34 H28 N4 O4 -","- C34 H28 N4 O4 -","- C68 H56 N8 O8 -","2","0.25","","Beaudoin, Daniel; Maris, Thierry; Wuest, James D.","Constructing monocrystalline covalent organic networks by polymerization","Nature Chemistry","2013","5","","830","834","10.1038/nchem.1730","","","1.54178","CuKα","","0.0735","0.0685","","","0.21","0.2148","","","","","","1.108","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516772","8.048","0.005","8.682","0.005","12.059","0.008","90","","107.03","0.02","90","","805.6","0.9","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","b-D-fructofuranosyl 4-chloro-4-deoxy-a-D-galactopyranoside","","- C12 H23 Cl O11 -","- C12 H23 Cl O11 -","- C24 H46 Cl2 O22 -","2","1","","Takashi Fujimoto; Daisuke Miura; Akari Iwamoto; Tomoya Machinami; Mitsuru Tashiro","Crystal Structure of β-D-Fructofuranosyl 4-chloro-4-deoxy-α-D-galactopyranoside","X-ray Structure Analysis Online","2013","29","","43","44","10.2116/xraystruct.29.43","","","0.71075","MoKα","","","0.0529","","","","0.1415","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516816","7.6291","0.0002","10.2522","0.0003","16.241","0.0005","83.071","0.001","87.666","0.002","69.357","0.001","1180.05","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","cyclotriphosphazene","","","- C19 H10 Cl4 N3 O6 P3 -","- C19 H10 Cl4 N3 O6 P3 -","- C38 H20 Cl8 N6 O12 P6 -","2","1","","Gonul Yenilmez Ciftci; Esra Tanriverdi Ecik; Mustafa Bulut; Fatma Yuksel; Adem Kilic; Mahmut Durmus","Synthesis and characterization of dicoumarol substituted cyclotriphosphazenes","Inorganica Chimica Acta","2013","398","","106","112","","","","0.71073","MoKα","","0.0269","0.0252","","","0.0672","0.0687","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516817","14.3683","0.0004","16.4258","0.0005","15.8683","0.0005","90","","103.739","0.002","90","","3637.93","0.19","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H20 Cl2 N3 O12 P3 -","- C38 H20 Cl2 N3 O12 P3 -","- C152 H80 Cl8 N12 O48 P12 -","4","1","","Gonul Yenilmez Ciftci; Esra Tanriverdi Ecik; Mustafa Bulut; Fatma Yuksel; Adem Kilic; Mahmut Durmus","Synthesis and characterization of dicoumarol substituted cyclotriphosphazenes","Inorganica Chimica Acta","2013","398","","106","112","","","","0.71073","MoKα","","0.0443","0.0367","","","0.0938","0.0984","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516818","14.5715","0.0008","17.2507","0.0008","17.2596","0.0008","82.89","0.003","75.604","0.003","73.08","0.003","4014.2","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","cyclophosphazene","","","- C85 H86 N3 O25 P3 -","- C85 H86 N3 O25 P3 -","- C170 H172 N6 O50 P6 -","2","1","","Gonul Yenilmez Ciftci; Esra Tanriverdi Ecik; Mustafa Bulut; Fatma Yuksel; Adem Kilic; Mahmut Durmus","Synthesis and characterization of dicoumarol substituted cyclotriphosphazenes","Inorganica Chimica Acta","2013","398","","106","112","","","","0.71073","MoKα","","0.1337","0.0763","","","0.2093","0.245","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516819","19.9022","0.0001","17.8522","0.0001","24.9096","0.0001","90","","90.652","0.001","90","","8849.76","0.08","133","","133","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H124 N4 O15 Re2 Ti2 -","- C80 H124 N4 O15 Re2 Ti2 -","- C320 H496 N16 O60 Re8 Ti8 -","4","2","","Chen Li; Xiao Peng; Shou-Chun Zhang; Li-Yuan Chai; Xiao-Yi Yi","Heteropolymetallic complexes containing ReO4-: Catalytic oxidation of sulfide","Inorganica Chimica Acta","2013","398","","113","116","","","x-ray","1.5418","CuKα","","0.0397","0.0359","","","0.0836","0.0849","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516820","10.9755","0.0005","11.1596","0.0006","18.1144","0.0009","75.397","0.001","77.504","0.001","82.693","0.001","2089.95","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H34 N2 O5 P2 Pd S4 -","- C42 H34 N2 O5 P2 Pd S4 -","- C84 H68 N4 O10 P4 Pd2 S8 -","2","1","","Subhi A. Al-Jibori; Mohamed H.S. Al-Jibori; Graeme Hogarth","Thiosaccharinate binding to palladium(II) and platinum(II): Synthesis and molecular structures of sulfur-bound complexes [M(?1-tsac)2(?2-diphosphane)]","Inorganica Chimica Acta","2013","398","","117","123","","","","0.71073","MoKα","","0.0425","0.0363","","","0.101","0.1104","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516821","29.031","0.005","20.477","0.004","15.281","0.003","90","","105.325","0.003","90","","8761","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C41.25 H41 Cl1.5 N2 O7 P2 Pt S4 -","- C41.25 H30 Cl1.5 N2 O7 P2 Pt S4 -","- C330 H240 Cl12 N16 O56 P16 Pt8 S32 -","8","1","","Subhi A. Al-Jibori; Mohamed H.S. Al-Jibori; Graeme Hogarth","Thiosaccharinate binding to palladium(II) and platinum(II): Synthesis and molecular structures of sulfur-bound complexes [M(?1-tsac)2(?2-diphosphane)]","Inorganica Chimica Acta","2013","398","","117","123","","","","0.71073","MoKα","","0.0588","0.0433","","","0.111","0.1196","","","","","","1.042","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516822","10.796","0.002","16.078","0.003","19.198","0.004","90","","93.815","0.004","90","","3325","1.1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 F18 N2 O8 Y -","- C23 H18 F18 N2 O8 Y -","- C92 H72 F72 N8 O32 Y4 -","4","1","","Peng Hu; Congming Zhang; Yuanyuan Gao; Yungai Li; Yue Ma; Licun Li; Daizheng Liao","Lanthanide-radical linear chain compounds based on 2,4,4,5,5-pentamethylimidazoline-1-oxyl-3-oxide: Structure and magnetic properties","Inorganica Chimica Acta","2013","398","","136","140","","","","0.71073","MoKα","","0.0683","0.0594","","","0.1568","0.1645","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516823","10.775","0.003","16.108","0.005","19.189","0.006","90","","93.768","0.005","90","","3323.3","1.7","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Dy F18 N2 O8 -","- C23 H18 Dy F18 N2 O8 -","- C92 H72 Dy4 F72 N8 O32 -","4","1","","Peng Hu; Congming Zhang; Yuanyuan Gao; Yungai Li; Yue Ma; Licun Li; Daizheng Liao","Lanthanide-radical linear chain compounds based on 2,4,4,5,5-pentamethylimidazoline-1-oxyl-3-oxide: Structure and magnetic properties","Inorganica Chimica Acta","2013","398","","136","140","","","","0.71073","MoKα","","0.0622","0.0532","","","0.1204","0.1262","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516824","12.576","0.0001","17.8297","0.0001","10.7632","0.0001","90","","90","","90","","2413.39","0.03","100","2","100","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C26 H20 Cu N6 O4 -","- C26 H20 Cu N6 O4 -","- C104 H80 Cu4 N24 O16 -","4","","","Satyajit Mondal; Sumita Naskar; Ayan Kumar Dey; Ekkehard Sinn; Carla Eribal; Steven R. Herron; Shyamal Kumar Chattopadhyay","Mononuclear and binuclear Cu(II) complexes of some tridentate aroyl hydrazones. X-ray crystal structures of a mononuclear and a binuclear complex","Inorganica Chimica Acta","2013","398","","98","105","","","","0.71073","","","0.0295","0.0288","","","0.0868","0.0882","","","","","","0.836","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516825","8.3","0.0004","9.1116","0.0004","10.8269","0.0005","71.369","0.002","74.335","0.002","68.143","0.002","709.41","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Cl2 Cu2 N6 O4 -","- C28 H24 Cl2 Cu2 N6 O4 -","- C28 H24 Cl2 Cu2 N6 O4 -","1","0.5","","Satyajit Mondal; Sumita Naskar; Ayan Kumar Dey; Ekkehard Sinn; Carla Eribal; Steven R. Herron; Shyamal Kumar Chattopadhyay","Mononuclear and binuclear Cu(II) complexes of some tridentate aroyl hydrazones. X-ray crystal structures of a mononuclear and a binuclear complex","Inorganica Chimica Acta","2013","398","","98","105","","","","1.54178","CuKα","","0.0364","0.0349","","","0.0927","0.0951","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516841","11.884","0.0007","19.7413","0.0007","14.4839","0.0008","90","","112.994","0.006","90","","3128","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cl2 N6 O5 -","- C30 H32 Cl2 N6 O5 -","- C120 H128 Cl8 N24 O20 -","4","1","","Kuldeep Mahiya; Pavan Mathur","Morphology dependant oxidation of aromatic alcohols by new symmetrical copper(II) metallatriangles formed by self-assembly of a shared bis-benzimidazolyl diamide ligand","Inorganica Chimica Acta","2013","399","","36","44","","","","0.71073","MoKα","","0.1207","0.0485","","","0.0875","0.1019","","","","","","0.916","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516842","27.3168","0.0008","27.3168","0.0008","49.6611","0.0019","90","","90","","120","","32092.7","1.8","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C90 H72 Cl6 Cu3 N18 O13.5 -","- C90 H72 Cl6 Cu3 N18 O13.5 -","- C1080 H864 Cl72 Cu36 N216 O162 -","12","0.666667","","Kuldeep Mahiya; Pavan Mathur","Morphology dependant oxidation of aromatic alcohols by new symmetrical copper(II) metallatriangles formed by self-assembly of a shared bis-benzimidazolyl diamide ligand","Inorganica Chimica Acta","2013","399","","36","44","","","","0.71073","MoKα","","0.1082","0.0678","","","0.2197","0.238","","","","","","1.039","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1516843","18.406","0.003","14.735","0.003","9.95","0.003","90","","116.08","0.03","90","","2423.8","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 N6 O2 -","- C30 H24 N6 O2 -","- C120 H96 N24 O8 -","4","0.5","","Kuldeep Mahiya; Pavan Mathur","Morphology dependant oxidation of aromatic alcohols by new symmetrical copper(II) metallatriangles formed by self-assembly of a shared bis-benzimidazolyl diamide ligand","Inorganica Chimica Acta","2013","399","","36","44","","","","0.71073","MoKα","","0.0895","0.0651","","","0.1649","0.1856","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516844","14.834","0.0003","14.834","0.0003","14.834","0.0003","90","","90","","90","","3264.19","0.11","273","2","273","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C15 H6 N7 O2 Zn2 -","- C15 H6 N7 O2.02 Zn2 -","- C120 H48 N56 O16.16 Zn16 -","8","0.166667","","Yu-Hui Tan; Ji-Si Wu; Chang-Shan Yang; Qiang-Ren Liu; Yun-Zhi Tang; Yong-Rui Zhong; Bao-Hui Ye","Spontaneous resolution of novel Zn complexes in the formation of 3D metal-organic frameworks based on 2,2'-biimidazole ligand","Inorganica Chimica Acta","2013","399","","45","49","10.1016/j.ica.2012.12.038","","","0.71073","MoKα","","0.0252","0.0241","","","0.0615","0.0625","","","","","","1.14","","","","has coordinates,has disorder","192141","2020-10-21","18:00:00",""
"1516845","14.8352","0.0002","14.8352","0.0002","14.8352","0.0002","90","","90","","90","","3264.98","0.08","123","2","123","2","","","","","","","","5","I 41 3 2","I 4bd 2c 3","214","","","","- C15 H6 N7 O2 Zn2 -","- C15 H6 N7.02 O2.04 Zn2 -","- C120 H48 N56.16 O16.32 Zn16 -","8","0.166667","","Yu-Hui Tan; Ji-Si Wu; Chang-Shan Yang; Qiang-Ren Liu; Yun-Zhi Tang; Yong-Rui Zhong; Bao-Hui Ye","Spontaneous resolution of novel Zn complexes in the formation of 3D metal-organic frameworks based on 2,2'-biimidazole ligand","Inorganica Chimica Acta","2013","399","","45","49","10.1016/j.ica.2012.12.038","","","0.71073","MoKα","","0.0228","0.0207","","","0.0542","0.0556","","","","","","0.912","","","","has coordinates,has disorder","192141","2020-10-21","18:00:00",""
"1516846","13.4803","0.0005","24.6057","0.0009","12.4343","0.0004","90","","95.362","0.002","90","","4106.3","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Fe4 I O4 P -","- C37 H32 Fe4 I O4 P -","- C148 H128 Fe16 I4 O16 P4 -","4","1","","Huei-Fang Dai; Wen-Yann Yeh","Synthesis and characterization of phosphonium and phosphine oxide linked to a tetrairon cluster","Inorganica Chimica Acta","2013","399","","50","54","","","","0.71073","MoKα","","0.0976","0.0503","","","0.1157","0.1298","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516847","41.6718","0.0009","9.4075","0.0002","15.6428","0.0004","90","","93.607","0.001","90","","6120.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Fe4 O5.5 P -","- C36 H29 Fe4 O5.5 P -","- C288 H232 Fe32 O44 P8 -","8","2","","Huei-Fang Dai; Wen-Yann Yeh","Synthesis and characterization of phosphonium and phosphine oxide linked to a tetrairon cluster","Inorganica Chimica Acta","2013","399","","50","54","","","","0.71073","MoKα","","0.0591","0.0429","","","0.1152","0.1329","","","","","","1.111","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516848","10.058","0.002","27.711","0.006","18.798","0.004","90","","98.22","0.03","90","","5185.5","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C67 H60 N6 O3 -","- C67 H60 N6 O3 -","- C268 H240 N24 O12 -","4","1","","Tanya Tan; Carolina Gimbert-Surinach; Mohan Bhadbhade; Stephen B. Colbran","Flexible dinucleating N,N,N-tridentate ligands based on a xanthene scaffold","Inorganica Chimica Acta","2013","399","","55","61","","","","0.71073","Synchrotron","","0.0653","0.0497","","","0.1236","0.1343","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516849","21.035","0.006","13.514","0.004","25.839","0.007","90","","105.904","0.015","90","","7064","4","155","2","155","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H60 Cl1.5 F6 N6.5 O3.5 P Pd -","- C74 H60 Cl1.5 F6 N6.5 O3.5 P Pd -","- C296 H240 Cl6 F24 N26 O14 P4 Pd4 -","4","1","","Tanya Tan; Carolina Gimbert-Surinach; Mohan Bhadbhade; Stephen B. Colbran","Flexible dinucleating N,N,N-tridentate ligands based on a xanthene scaffold","Inorganica Chimica Acta","2013","399","","55","61","","","","0.71073","MoKα","","0.1714","0.0789","","","0.2214","0.275","","","","","","1.051","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516850","9.5642","0.0007","12.4445","0.0009","12.6253","0.001","104.502","0.001","99.804","0.001","111.822","0.001","1291.28","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H32 N4 Ni -","- C31 H32 N4 Ni -","- C62 H64 N8 Ni2 -","2","1","","Eunhee Kim; Hyosun Lee","Template synthesis and X-ray crystal structures of 15-membered unsymmetric monobenzotetraazaannulene nickel(II) complexes","Inorganica Chimica Acta","2013","399","","62","66","","","","0.71073","MoKα","","0.067","0.0548","","","0.1386","0.1463","","","","","","1.072","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1516851","10.2389","0.0006","11.0827","0.0006","12.345","0.0007","74.284","0.001","67.297","0.001","79.33","0.001","1238.86","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 N5 Ni O2 -","- C29 H27 N5 Ni O2 -","- C58 H54 N10 Ni2 O4 -","2","1","","Eunhee Kim; Hyosun Lee","Template synthesis and X-ray crystal structures of 15-membered unsymmetric monobenzotetraazaannulene nickel(II) complexes","Inorganica Chimica Acta","2013","399","","62","66","","","","0.71073","MoKα","","0.0703","0.0562","","","0.137","0.144","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516852","20.168","0.004","16.754","0.003","13.375","0.003","90","","94.148","0.004","90","","4507.5","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 B2 Co N6 O6 -","- C50 H48 B2 Co N6 O6 -","- C200 H192 B8 Co4 N24 O24 -","4","1","","Yan Z. Voloshin; Andrey Y. Lebedev; Valentin V. Novikov; Alexander V. Dolganov; Anna V. Vologzhanina; Ekaterina G. Lebed; Alexander A. Pavlov; Zoya A. Starikova; Michail I. Buzin; Yurii N. Bubnov","Template synthesis, X-ray structure, spectral and redox properties of the paramagnetic alkylboron-capped cobalt(II) clathrochelates and their diamagnetic iron(II)-containing analogs","Inorganica Chimica Acta","2013","399","","67","78","","","","0.71073","MoKα","","0.1377","0.0863","","","0.1708","0.1997","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516853","10.566","0.003","14.168","0.004","18.767","0.005","85.743","0.006","81.421","0.005","68.943","0.005","2591.8","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H64 B2 Fe N6 O6 -","- C57 H64 B2 Fe N6 O6 -","- C114 H128 B4 Fe2 N12 O12 -","2","1","","Yan Z. Voloshin; Andrey Y. Lebedev; Valentin V. Novikov; Alexander V. Dolganov; Anna V. Vologzhanina; Ekaterina G. Lebed; Alexander A. Pavlov; Zoya A. Starikova; Michail I. Buzin; Yurii N. Bubnov","Template synthesis, X-ray structure, spectral and redox properties of the paramagnetic alkylboron-capped cobalt(II) clathrochelates and their diamagnetic iron(II)-containing analogs","Inorganica Chimica Acta","2013","399","","67","78","","","","0.71073","MoKα","","0.1181","0.056","","","0.0941","0.1105","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516854","8.246","0.0011","23.91","0.003","19.501","0.003","90","","89.998","0.003","90","","3844.9","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 B2 Co N6 O6 -","- C14 H24 B2 Co N6 O6 -","- C112 H192 B16 Co8 N48 O48 -","8","2","","Yan Z. Voloshin; Andrey Y. Lebedev; Valentin V. Novikov; Alexander V. Dolganov; Anna V. Vologzhanina; Ekaterina G. Lebed; Alexander A. Pavlov; Zoya A. Starikova; Michail I. Buzin; Yurii N. Bubnov","Template synthesis, X-ray structure, spectral and redox properties of the paramagnetic alkylboron-capped cobalt(II) clathrochelates and their diamagnetic iron(II)-containing analogs","Inorganica Chimica Acta","2013","399","","67","78","","","","0.71073","MoKα","","0.098","0.052","","","0.0828","0.0971","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516855","19.9212","0.0014","8.2523","0.0006","23.3202","0.0016","90","","90","","90","","3833.7","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H24 B2 Fe N6 O6 -","- C14 H24 B2 Fe N6 O6 -","- C112 H192 B16 Fe8 N48 O48 -","8","1","","Yan Z. Voloshin; Andrey Y. Lebedev; Valentin V. Novikov; Alexander V. Dolganov; Anna V. Vologzhanina; Ekaterina G. Lebed; Alexander A. Pavlov; Zoya A. Starikova; Michail I. Buzin; Yurii N. Bubnov","Template synthesis, X-ray structure, spectral and redox properties of the paramagnetic alkylboron-capped cobalt(II) clathrochelates and their diamagnetic iron(II)-containing analogs","Inorganica Chimica Acta","2013","399","","67","78","","","","0.71073","MoKα","","0.0604","0.0428","","","0.0882","0.0973","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516856","10.628","0.007","11.513","0.007","13.554","0.009","90","","109.744","0.008","90","","1561","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N14 O8 Zn -","- C30 H28 N14 O8 Zn -","- C60 H56 N28 O16 Zn2 -","2","0.5","","Feng Guo","Hydrothermal syntheses, crystal structure and luminescent properties of four zinc(II) coordination polymers based on tipodal imidazole","Inorganica Chimica Acta","2013","399","","79","84","","","","0.71073","MOKα","","0.0406","0.0335","","","0.0851","0.0888","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516857","11.472","0.003","11.472","0.003","15.217","0.004","90","","90","","120","","1734.4","0.8","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C30 H24 Cl2 N12 Zn -","- C30 H24 Cl1.98 N12 Zn -","- C60 H48 Cl3.96 N24 Zn2 -","2","0.166667","","Feng Guo","Hydrothermal syntheses, crystal structure and luminescent properties of four zinc(II) coordination polymers based on tipodal imidazole","Inorganica Chimica Acta","2013","399","","79","84","","","","0.71069","MoKα","","0.0684","0.0581","","","0.1511","0.1552","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516858","9.699","0.005","13.677","0.005","16.584","0.005","90","0.005","93.644","0.005","90","0.005","2195.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 N6 O5 Zn -","- C23 H16 N6 O5 Zn -","- C92 H64 N24 O20 Zn4 -","4","1","","Feng Guo","Hydrothermal syntheses, crystal structure and luminescent properties of four zinc(II) coordination polymers based on tipodal imidazole","Inorganica Chimica Acta","2013","399","","79","84","","","","0.71069","MoKα","","0.0524","0.0381","","","0.0974","0.1041","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516859","8.02","0.0013","17.175","0.003","17.577","0.003","97.522","0.002","97.742","0.002","96.306","0.002","2358.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 N12 O10 Zn2 -","- C48 H40 N12 O10 Zn2 -","- C96 H80 N24 O20 Zn4 -","2","1","","Feng Guo","Hydrothermal syntheses, crystal structure and luminescent properties of four zinc(II) coordination polymers based on tipodal imidazole","Inorganica Chimica Acta","2013","399","","79","84","","","","0.71073","MOKα","","0.0988","0.0508","","","0.1074","0.1266","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516860","13.282","0.0003","8.414","0.0002","16.325","0.0004","90","","111.439","0.002","90","","1698.16","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Ca N4 O8 -","- C12 H14 Ca N4 O8 -","- C48 H56 Ca4 N16 O32 -","4","0.5","","Barbara Barszcz; Joanna Masternak; Maciej Hodorowicz; Ewa Matczak-Jon; Agnieszka Jablonska-Wawrzycka; Katarzyna Stadnicka; Malgorzata Zienkiewicz; Karolina Krolewska; Julia Kazmierczak-Baranska","Synthesis, crystal structure and NMR investigation of novel Ca(II) complexes with heterocyclic alcohol, aldehyde and carboxylate ligands. Evaluation of Ca(II) and Cd(II) analogues for anticancer activity","Inorganica Chimica Acta","2013","399","","85","94","","","","0.71073","MoKα","","0.0395","0.0316","","","0.0878","0.0944","","","","","","0.794","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516861","7.0216","0.0004","7.6611","0.0004","14.6518","0.0009","82.762","0.003","83.74","0.003","85.249","0.002","775.31","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 Ca N6 O8 -","- C10 H12 Ca N6 O8 -","- C20 H24 Ca2 N12 O16 -","2","1","","Barbara Barszcz; Joanna Masternak; Maciej Hodorowicz; Ewa Matczak-Jon; Agnieszka Jablonska-Wawrzycka; Katarzyna Stadnicka; Malgorzata Zienkiewicz; Karolina Krolewska; Julia Kazmierczak-Baranska","Synthesis, crystal structure and NMR investigation of novel Ca(II) complexes with heterocyclic alcohol, aldehyde and carboxylate ligands. Evaluation of Ca(II) and Cd(II) analogues for anticancer activity","Inorganica Chimica Acta","2013","399","","85","94","","","","0.71073","MoKα","","0.0711","0.0498","","","0.1372","0.1549","","","","","","0.841","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516862","8.682","0.0002","9.564","0.0002","16.611","0.0003","90","","90","","90","","1379.29","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Poly(u-(2-pyridinecarboxylato-N,O,O')-(N,N'-dimethylformamide-O)- aqua-(nitrato-O,O')calcium(II))","","- C9 H13 Ca N3 O7 -","- C9 H13 Ca N3 O7 -","- C36 H52 Ca4 N12 O28 -","4","1","","Barbara Barszcz; Joanna Masternak; Maciej Hodorowicz; Ewa Matczak-Jon; Agnieszka Jablonska-Wawrzycka; Katarzyna Stadnicka; Malgorzata Zienkiewicz; Karolina Krolewska; Julia Kazmierczak-Baranska","Synthesis, crystal structure and NMR investigation of novel Ca(II) complexes with heterocyclic alcohol, aldehyde and carboxylate ligands. Evaluation of Ca(II) and Cd(II) analogues for anticancer activity","Inorganica Chimica Acta","2013","399","","85","94","","","","0.71073","MoKα","","0.0244","0.0222","","","0.0556","0.0564","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516863","9.412","0.0007","10.4276","0.0008","11.2794","0.0009","69.936","0.001","85.741","0.001","85.582","0.001","1035.38","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 Cd N5 O5 S -","- C22 H15 Cd N5 O5 S -","- C44 H30 Cd2 N10 O10 S2 -","2","1","","Xiu-Li Wang; Yun Qu; Guo-Cheng Liu; Jian Luan; Hong-Yan Lin","Effect of organic polycarboxylates on the architectures of cadmium(II) coordination polymers based on dipyrazino[2,3-f:2'3'-h]quino-xaline: Syntheses, crystal structures, and photoluminescence properties","Inorganica Chimica Acta","2013","399","","105","111","","","","0.71073","MoKα","","0.0291","0.0244","","","0.0581","0.0598","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516864","23.615","0.004","12.1786","0.0014","14.595","0.002","90","","90.199","0.015","90","","4197.5","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cd N6 O4 S3 -","- C20 H12 Cd N6 O4 S3 -","- C160 H96 Cd8 N48 O32 S24 -","8","1","","Xiu-Li Wang; Yun Qu; Guo-Cheng Liu; Jian Luan; Hong-Yan Lin","Effect of organic polycarboxylates on the architectures of cadmium(II) coordination polymers based on dipyrazino[2,3-f:2'3'-h]quino-xaline: Syntheses, crystal structures, and photoluminescence properties","Inorganica Chimica Acta","2013","399","","105","111","","","","0.71073","MoKα","","0.0351","0.0277","","","0.0669","0.0702","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516865","10.1091","0.0007","11.3814","0.0007","16.0648","0.0011","105.199","0.001","107.543","0.001","91.151","0.001","1690.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H21 Cd2 N8 O9 S -","- C36 H21 Cd2 N8 O9 S -","- C72 H42 Cd4 N16 O18 S2 -","2","1","","Xiu-Li Wang; Yun Qu; Guo-Cheng Liu; Jian Luan; Hong-Yan Lin","Effect of organic polycarboxylates on the architectures of cadmium(II) coordination polymers based on dipyrazino[2,3-f:2'3'-h]quino-xaline: Syntheses, crystal structures, and photoluminescence properties","Inorganica Chimica Acta","2013","399","","105","111","","","","0.71073","MoKα","","0.0328","0.0264","","","0.0648","0.0671","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516866","9.4814","0.0019","11.835","0.002","17.835","0.004","90","","90","","90","","2001.3","0.7","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H12 I2 N2 O2 Pb2 -","- C18 H12 I2 N2 O2 Pb2 -","- C72 H48 I8 N8 O8 Pb8 -","4","0.5","","Ezzatollah Najafi; Mostafa M. Amini; Ezeddin Mohajerani; Mohammad Janghouri; Hossein Razavi; Hamidreza Khavasi","Fabrication of an organic light-emitting diode (OLED) from a two-dimensional lead(II) coordination polymer","Inorganica Chimica Acta","2013","399","","119","125","","","","0.71073","MoKα","","0.0613","0.0475","","","0.1096","0.1144","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516867","11.6732","0.0007","15.9989","0.0008","25.6674","0.0012","90","","90","","90","","4793.6","0.4","191","2","191","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H32 Co K N4 O5 -","- C23 H32 Co K N4 O5 -","- C184 H256 Co8 K8 N32 O40 -","8","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki; Masaaki Kojima","Hydrogen-bonding interactions, geometrical selectivity and spectroscopic properties of cobalt(III) complexes with unsymmetrical tridentate amine-amidato-phenolato type ligands","Inorganica Chimica Acta","2013","399","","131","137","","","","0.71075","MoKα","","0.0324","0.0285","","","0.0731","0.0752","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516868","11.5973","0.0011","12.2755","0.0011","18.0998","0.0015","100.372","0.003","96.621","0.003","112.716","0.003","2289","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H56.5 Co N5.5 O6 P -","- C49 H48 Co N5.5 O6 P -","- C98 H96 Co2 N11 O12 P2 -","2","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki; Masaaki Kojima","Hydrogen-bonding interactions, geometrical selectivity and spectroscopic properties of cobalt(III) complexes with unsymmetrical tridentate amine-amidato-phenolato type ligands","Inorganica Chimica Acta","2013","399","","131","137","","","","0.71075","MoKα","","0.0569","0.051","","","0.1598","0.1669","","","","","","1.077","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516869","8.8385","0.0012","11.9261","0.0016","14.2124","0.0018","104.694","0.004","110.228","0.004","103.872","0.004","1268.2","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.5 H35 Co K N4 O9 -","- C20.5 H24 Co K N4 O9 -","- C41 H48 Co2 K2 N8 O18 -","2","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki; Masaaki Kojima","Hydrogen-bonding interactions, geometrical selectivity and spectroscopic properties of cobalt(III) complexes with unsymmetrical tridentate amine-amidato-phenolato type ligands","Inorganica Chimica Acta","2013","399","","131","137","","","","0.71075","MoKα","","0.0556","0.0509","","","0.1407","0.1441","","","","","","1.06","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516870","12.2392","0.0013","12.3153","0.0014","12.7357","0.0012","112.839","0.003","90.103","0.004","116.275","0.004","1550.9","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H44 Co K N4 O7 -","- C29 H44 Co K N4 O7 -","- C58 H88 Co2 K2 N8 O14 -","2","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki; Masaaki Kojima","Hydrogen-bonding interactions, geometrical selectivity and spectroscopic properties of cobalt(III) complexes with unsymmetrical tridentate amine-amidato-phenolato type ligands","Inorganica Chimica Acta","2013","399","","131","137","","","","0.71075","MoKα","","0.0572","0.0511","","","0.1322","0.1359","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516871","10.8336","0.0007","30.9997","0.0017","12.8566","0.0009","90","","92.756","0.003","90","","4312.7","0.5","188","2","188","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H53.5 Co N4.5 O4 P -","- C51 H53.5 Co N4.5 O4 P -","- C204 H214 Co4 N18 O16 P4 -","4","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki; Masaaki Kojima","Hydrogen-bonding interactions, geometrical selectivity and spectroscopic properties of cobalt(III) complexes with unsymmetrical tridentate amine-amidato-phenolato type ligands","Inorganica Chimica Acta","2013","399","","131","137","","","","0.71075","MoKα","","0.0513","0.04","","","0.0985","0.1052","","","","","","1.042","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516872","7.4365","0.001","12.8737","0.0015","13.1923","0.0016","93.285","0.003","96.038","0.003","95.398","0.004","1247.5","0.3","188","2","188","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H34 Co K N4 O9 -","- C20 H24 Co K N4 O9 -","- C40 H48 Co2 K2 N8 O18 -","2","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki; Masaaki Kojima","Hydrogen-bonding interactions, geometrical selectivity and spectroscopic properties of cobalt(III) complexes with unsymmetrical tridentate amine-amidato-phenolato type ligands","Inorganica Chimica Acta","2013","399","","131","137","","","","0.71075","MoKα","","0.0815","0.0487","","","0.1365","0.187","","","","","","1.144","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516873","8.1877","0.0002","9.9841","0.0003","11.1123","0.0003","84.575","0.002","86.105","0.002","70.027","0.002","849.32","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H12 Cl N2 O3 Re S -","- C16 H12 Cl N2 O3 Re S -","- C32 H24 Cl2 N4 O6 Re2 S2 -","2","1","","Mahendra Sekhar Jana; Ajoy Kumar Pramanik; Subhankar Kundu; Deblina Sarkar; Tapan Kumar Mondal","fac-Tricarbonyl rhenium(I) complexes of 2-(alkylthio)-N- ((pyridine-2-yl)methylene)benzenamine: Synthesis, spectroscopic characterization, X-ray structure and DFT calculation","Inorganica Chimica Acta","2013","399","","138","145","","","","0.71073","MoKα","","0.0746","0.0644","","","0.1664","0.1739","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516874","7.2681","0.0005","7.9578","0.0006","15.377","0.001","86.982","0.001","78.64","0.001","63.532","0.001","779.93","0.09","100","1","100","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C9 H21 K N2 Ni O10 -","- C9 H21 K N2 Ni O10 -","- C18 H42 K2 N4 Ni2 O20 -","2","1","","Svetlana Belosevic; Marina Cendic; Maja Djukic; Miorad Vasojevic; Auke Meetsma; Zoran D. Matovic","Crystal structure, configurational and density functional theory analysis of nickel(II) complexes with pentadentate 1,3-pd3a-type ligands","Inorganica Chimica Acta","2013","399","","146","153","","","","0.71073","MoKα","","0.0256","0.0249","","","0.0621","0.0626","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516875","9.1433","0.0003","28.5999","0.0009","10.3536","0.0003","90","","105.629","0.002","90","","2607.34","0.14","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cu N5 O15 Sm -","- C19 H22 Cu N5 O15 Sm -","- C76 H88 Cu4 N20 O60 Sm4 -","4","1","","Malay Dolai; Tarun Mistri; Anangamohan Panja; Mahammad Ali","Diversity in supramolecular self-assembly through hydrogen-bonding interactions of non-coordinated aliphatic -OH group in a series of heterodinuclear CuIIM (M = NaI, ZnII, HgII, SmIII, BiIII, PbII and CdII)","Inorganica Chimica Acta","2013","399","","95","104","","","","0.71073","MoKα","","0.0972","0.0838","","","0.1882","0.1934","","","","","","1.195","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516876","8.9716","0.0002","28.4099","0.0008","10.4894","0.0003","90","","105.737","0.002","90","","2573.35","0.12","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Bi Cu N5 O15 -","- C19 H22 Bi Cu N5 O15 -","- C76 H88 Bi4 Cu4 N20 O60 -","4","1","","Malay Dolai; Tarun Mistri; Anangamohan Panja; Mahammad Ali","Diversity in supramolecular self-assembly through hydrogen-bonding interactions of non-coordinated aliphatic -OH group in a series of heterodinuclear CuIIM (M = NaI, ZnII, HgII, SmIII, BiIII, PbII and CdII)","Inorganica Chimica Acta","2013","399","","95","104","","","","0.71073","MoKα","","0.0438","0.0327","","","0.0868","0.0945","","","","","","0.765","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516877","9.194","0.001","22.523","0.005","14.282","0.003","90","","130.07","0.004","90","","2263.2","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cd Cu N4 O11 -","- C19 H20 Cd Cu N4 O11 -","- C76 H80 Cd4 Cu4 N16 O44 -","4","1","","Malay Dolai; Tarun Mistri; Anangamohan Panja; Mahammad Ali","Diversity in supramolecular self-assembly through hydrogen-bonding interactions of non-coordinated aliphatic -OH group in a series of heterodinuclear CuIIM (M = NaI, ZnII, HgII, SmIII, BiIII, PbII and CdII)","Inorganica Chimica Acta","2013","399","","95","104","","","","0.71073","MoKα","","0.1519","0.0588","","","0.1269","0.1535","","","","","","0.866","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516878","12.1272","0.0007","13.0241","0.0007","13.6852","0.0007","90","","101.187","0.004","90","","2120.5","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cl2 Cu Hg N2 O5 -","- C19 H20 Cl2 Cu Hg N2 O5 -","- C76 H80 Cl8 Cu4 Hg4 N8 O20 -","4","1","","Malay Dolai; Tarun Mistri; Anangamohan Panja; Mahammad Ali","Diversity in supramolecular self-assembly through hydrogen-bonding interactions of non-coordinated aliphatic -OH group in a series of heterodinuclear CuIIM (M = NaI, ZnII, HgII, SmIII, BiIII, PbII and CdII)","Inorganica Chimica Acta","2013","399","","95","104","","","","0.71073","MoKα","","0.0719","0.0405","","","0.0903","0.103","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516879","16.901","0.003","7.4655","0.0012","18.388","0.003","90","","102.384","0.002","90","","2266.1","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cu N3 Na O9 -","- C20 H24 Cu N3 Na O9 -","- C80 H96 Cu4 N12 Na4 O36 -","4","1","","Malay Dolai; Tarun Mistri; Anangamohan Panja; Mahammad Ali","Diversity in supramolecular self-assembly through hydrogen-bonding interactions of non-coordinated aliphatic -OH group in a series of heterodinuclear CuIIM (M = NaI, ZnII, HgII, SmIII, BiIII, PbII and CdII)","Inorganica Chimica Acta","2013","399","","95","104","","","","0.71073","MoKα","","0.0671","0.0476","","","0.1387","0.1498","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516880","8.6408","0.0002","11.2327","0.0003","11.8696","0.0003","81.601","0.001","84.574","0.001","82.459","0.001","1126.5","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 Cu N4 O11 Pb -","- C19 H20 Cu N4 O11 Pb -","- C38 H40 Cu2 N8 O22 Pb2 -","2","1","","Malay Dolai; Tarun Mistri; Anangamohan Panja; Mahammad Ali","Diversity in supramolecular self-assembly through hydrogen-bonding interactions of non-coordinated aliphatic -OH group in a series of heterodinuclear CuIIM (M = NaI, ZnII, HgII, SmIII, BiIII, PbII and CdII)","Inorganica Chimica Acta","2013","399","","95","104","","","","0.71073","MoKα","","0.0525","0.0347","","","0.0848","0.0909","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516881","8.7696","0.0003","11.3057","0.0004","12.4018","0.0004","111.288","0.002","92.058","0.002","97.833","0.002","1130.14","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Cu N4 O12 Zn -","- C19 H22 Cu N4 O12 Zn -","- C38 H44 Cu2 N8 O24 Zn2 -","2","1","","Malay Dolai; Tarun Mistri; Anangamohan Panja; Mahammad Ali","Diversity in supramolecular self-assembly through hydrogen-bonding interactions of non-coordinated aliphatic -OH group in a series of heterodinuclear CuIIM (M = NaI, ZnII, HgII, SmIII, BiIII, PbII and CdII)","Inorganica Chimica Acta","2013","399","","95","104","","","","0.71073","MoKα","","0.0618","0.039","","","0.1008","0.113","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516895","8.495","0.0017","9.3854","0.0019","11.552","0.002","81.95","0.03","76.99","0.03","69.9","0.03","840.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 N4 O7 Zn2 -","- C15 H9 N4 O7 Zn2 -","- C30 H18 N8 O14 Zn4 -","2","1","","Da Li; Jiayin Sun; Li Wang; Liying Zhang; Xiaohui Liu; Jianing Xu; Ping Zhang","Two new three-dimensional metal-organic frameworks constructed from a semirigid V-shaped ligand with luminescent and topology studies","Inorganica Chimica Acta","2013","399","","154","159","10.1016/j.ica.2013.01.015","","","0.71073","MoKα","","0.0424","0.0354","","","0.0942","0.1028","","","","","","1.117","","","","has coordinates","192143","2020-10-21","18:00:00",""
"1516896","11.888","0.002","12.916","0.003","13.009","0.003","93.94","0.03","112.07","0.03","110.34","0.03","1689.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Cd2 N8 O10 -","- C30 H16 Cd2 N8 O10 -","- C60 H32 Cd4 N16 O20 -","2","1","","Da Li; Jiayin Sun; Li Wang; Liying Zhang; Xiaohui Liu; Jianing Xu; Ping Zhang","Two new three-dimensional metal-organic frameworks constructed from a semirigid V-shaped ligand with luminescent and topology studies","Inorganica Chimica Acta","2013","399","","154","159","10.1016/j.ica.2013.01.015","","","0.71073","MoKα","","0.0293","0.0257","","","0.0712","0.0725","","","","","","1.136","","","","has coordinates","192143","2020-10-21","18:00:00",""
"1516897","12.406","0.0003","15.4849","0.0004","23.3147","0.0005","72.584","0.001","89.659","0.001","85.182","0.001","4257.59","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cu(L)Cl](ClO4)(H2O)","","","- C19 H22 Cl2 Cu N4 O5 -","- C19 H22 Cl2 Cu N4 O5 -","- C152 H176 Cl16 Cu8 N32 O40 -","8","4","","Salah S. Massoud; Richard S. Perkins; Kathleen D. Knierim; Sean P. Comiskey; Kara H. Otero; Corey L. Michel; Wesley M. Juneau; Jorg H. Albering; Franz A. Mautner; Wu Xu","Effect of the chelate ring size on the cleavage activity of DNA by copper(II) complexes containing pyridyl groups","Inorganica Chimica Acta","2013","399","","177","184","","","","0.71073","MoKα","","0.0446","0.0317","","","0.0804","0.0874","","","","","","1.039","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516898","9.3079","0.0005","26.2435","0.0011","9.7687","0.0005","90","","116.795","0.008","90","","2130","0.2","173","2","173","2","","","","","","","synthesis as described","8","P 1 21/a 1","-P 2yab","14","","","","- C19 H22 Cl3 Fe N O Pt S -","- C19 H22 Cl3 Fe N O Pt S -","- C76 H88 Cl12 Fe4 N4 O4 Pt4 S4 -","4","1","","Karlheinz Sunkel; Ramona Branzan; Stefan Weigand","2-Pyridylmetallocenes, part IV. Cycloplatination of 2-pyridyl-ferrocene, -ruthenocene and -cymantrene. Molecular structures of sigma-Pt{CpM[C5H3(2-C5H4N)]}Cl (DMSO) (M = Fe, Ru) and sigma-Pt{CpFe[C5H3(2-C5H4N)]}(acac)","Inorganica Chimica Acta","2013","399","","193","199","","","x-ray","0.71069","MoKα","","0.054","0.0375","","","0.0736","0.0772","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516899","9.6637","0.0007","27.927","0.002","12.8174","0.0009","90","","96.645","0.007","90","","3435.9","0.4","173","2","173","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Cl Fe N O Pt S -","- C17 H18 Cl Fe N O Pt S -","- C136 H144 Cl8 Fe8 N8 O8 Pt8 S8 -","8","1","","Karlheinz Sunkel; Ramona Branzan; Stefan Weigand","2-Pyridylmetallocenes, part IV. Cycloplatination of 2-pyridyl-ferrocene, -ruthenocene and -cymantrene. Molecular structures of sigma-Pt{CpM[C5H3(2-C5H4N)]}Cl (DMSO) (M = Fe, Ru) and sigma-Pt{CpFe[C5H3(2-C5H4N)]}(acac)","Inorganica Chimica Acta","2013","399","","193","199","","","x-ray","0.71069","MoKα","","0.0668","0.0335","","","0.0501","0.0541","","","","","","0.759","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516900","9.8621","0.001","10.4803","0.0008","11.1942","0.0011","100.706","0.007","96.331","0.008","97.819","0.007","1115.33","0.18","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C18 H19 Cl4 N O Pt Ru S -","- C18 H19 Cl4 N O Pt Ru S -","- C36 H38 Cl8 N2 O2 Pt2 Ru2 S2 -","2","1","","Karlheinz Sunkel; Ramona Branzan; Stefan Weigand","2-Pyridylmetallocenes, part IV. Cycloplatination of 2-pyridyl-ferrocene, -ruthenocene and -cymantrene. Molecular structures of sigma-Pt{CpM[C5H3(2-C5H4N)]}Cl (DMSO) (M = Fe, Ru) and sigma-Pt{CpFe[C5H3(2-C5H4N)]}(acac)","Inorganica Chimica Acta","2013","399","","193","199","","","x-ray","0.7107","MoKα","","0.0473","0.0339","","","0.0701","0.0726","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516901","16.208","0.0005","12.3572","0.0004","17.5616","0.0005","90","","91.026","0.003","90","","3516.77","0.19","173","2","173","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 Fe N O2 Pt -","- C20 H19 Fe N O2 Pt -","- C160 H152 Fe8 N8 O16 Pt8 -","8","1","","Karlheinz Sunkel; Ramona Branzan; Stefan Weigand","2-Pyridylmetallocenes, part IV. Cycloplatination of 2-pyridyl-ferrocene, -ruthenocene and -cymantrene. Molecular structures of sigma-Pt{CpM[C5H3(2-C5H4N)]}Cl (DMSO) (M = Fe, Ru) and sigma-Pt{CpFe[C5H3(2-C5H4N)]}(acac)","Inorganica Chimica Acta","2013","399","","193","199","","","x-ray","0.71069","MoKα","","0.0347","0.0222","","","0.041","0.0426","","","","","","0.813","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516902","9.566","0.002","11.359","0.003","29.676","0.007","90","","91.219","0.006","90","","3223.9","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H48 Cl2 N8 Ni2 O11 -","- C22 H48 Cl2 N8 Ni2 O11 -","- C88 H192 Cl8 N32 Ni8 O44 -","4","0.5","","Rajat Saha; Susobhan Biswas; Ian M. Steele; Kamalendu Dey; Atish Dipankar Jana; Sanjay Kumar","Stabilization of 2D water sheets in a supramolecular metal-organic Schiff base complex: Reversible structural transformation upon dehydration-rehydration","Inorganica Chimica Acta","2013","399","","200","207","","","","0.71073","MoKα","","0.1019","0.0587","","","0.1162","0.1569","","","","","","0.813","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516903","7.8518","0.0013","9.7379","0.0016","12.171","0.002","90","","90","","90","","930.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 N Na Ni O7 -","- C6 H8 N Na Ni O7 -","- C24 H32 N4 Na4 Ni4 O28 -","4","1","","Jing Jin; Yu Ding; Yuan-Yuan Gong; Sheng-Mei Cong; Yu-Xian Chi; Guang-Ning Zhang; Shu-Yun Niu","Synthesis, structure and surface photo-electric property of Ni(II) complexes","Inorganica Chimica Acta","2013","399","","227","235","","","","0.71073","MoKα","","0.0268","0.0244","","","0.0508","0.0519","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516904","22.317","0.003","12.2177","0.0017","9.058","0.0012","90","","108.766","0.002","90","","2338.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 N6 Ni O9 -","- C22 H30 N6 Ni O9 -","- C88 H120 N24 Ni4 O36 -","4","0.5","","Jing Jin; Yu Ding; Yuan-Yuan Gong; Sheng-Mei Cong; Yu-Xian Chi; Guang-Ning Zhang; Shu-Yun Niu","Synthesis, structure and surface photo-electric property of Ni(II) complexes","Inorganica Chimica Acta","2013","399","","227","235","","","","0.71073","MoKα","","0.0328","0.028","","","0.0758","0.0787","","","","","","1.091","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516905","8.884","0.003","12.611","0.004","15.885","0.006","90","","90","","90","","1779.7","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H26 N4 Ni O8 -","- C16 H26 N4 Ni O8 -","- C64 H104 N16 Ni4 O32 -","4","0.5","","Jing Jin; Yu Ding; Yuan-Yuan Gong; Sheng-Mei Cong; Yu-Xian Chi; Guang-Ning Zhang; Shu-Yun Niu","Synthesis, structure and surface photo-electric property of Ni(II) complexes","Inorganica Chimica Acta","2013","399","","227","235","","","","0.71073","MoKα","","0.1043","0.0577","","","0.1247","0.1473","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516906","11.7769","0.0011","4.7093","0.0004","13.1053","0.0011","90","","109.462","0.005","90","","685.3","0.11","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H9 Br2 O4 P -","- C12 H9 Br2 O4 P -","- C24 H18 Br4 O8 P2 -","2","1","","Payal Malik; Debashis Chakraborty","Hydrogen phosphates: Self initiated organocatalysts for the controlled ring-opening polymerization of cyclic esters","Inorganica Chimica Acta","2013","400","","32","41","","","","0.71073","MoKα","","0.0592","0.0381","","","0.0827","0.0903","","","","","","0.974","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516907","22.0545","0.0009","4.6788","0.0002","12.8346","0.0005","90","","90","","90","","1324.38","0.09","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H9 Cl2 O4 P -","- C12 H9 Cl2 O4 P -","- C48 H36 Cl8 O16 P4 -","4","0.5","","Payal Malik; Debashis Chakraborty","Hydrogen phosphates: Self initiated organocatalysts for the controlled ring-opening polymerization of cyclic esters","Inorganica Chimica Acta","2013","400","","32","41","","","","0.71073","MoKα","","0.0699","0.0424","","","0.1017","0.1134","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516908","13.877","0.003","15.793","0.003","17.406","0.003","83.599","0.01","73.146","0.009","71.742","0.01","3466.1","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N6 O11 Pd -","- C26 H24 N6 O11 Pd -","- C104 H96 N24 O44 Pd4 -","4","2","","Himansu Sekhar Sahoo; Debakanta Tripathy; Sabyasachi Chakrabortty; Satish Bhat; Avinash Kumbhar; Dillip Kumar Chand","Self-assembled mononuclear palladium(II) based molecular loopsOriginal","Inorganica Chimica Acta","2013","400","","42","50","","","","0.71073","MoKα","","0.0759","0.0498","","","0.1464","0.1587","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516909","9.8586","0.0002","10.2379","0.0002","13.2723","0.0003","93.338","0.001","99.68","0.001","102.739","0.001","1281.67","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 N6 O13 Pd -","- C18 H28 N6 O13 Pd -","- C36 H56 N12 O26 Pd2 -","2","1","","Himansu Sekhar Sahoo; Debakanta Tripathy; Sabyasachi Chakrabortty; Satish Bhat; Avinash Kumbhar; Dillip Kumar Chand","Self-assembled mononuclear palladium(II) based molecular loopsOriginal","Inorganica Chimica Acta","2013","400","","42","50","","","","0.71073","MoKα","","0.0235","0.0208","","","0.0562","0.0711","","","","","","0.417","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516910","9.918","0.002","9.982","0.002","14.23","0.003","101.06","0.03","107.24","0.03","93.23","0.03","1310.8","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N6 O20 Pd -","- C36 H40 N6 O20 Pd -","- C36 H40 N6 O20 Pd -","1","0.5","","Himansu Sekhar Sahoo; Debakanta Tripathy; Sabyasachi Chakrabortty; Satish Bhat; Avinash Kumbhar; Dillip Kumar Chand","Self-assembled mononuclear palladium(II) based molecular loopsOriginal","Inorganica Chimica Acta","2013","400","","42","50","","","","0.71073","MoKα","","0.0793","0.0793","","","0.2491","0.2491","","","","","","1.02","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516911","19.9057","0.0008","11.0481","0.0003","24.3389","0.0013","90","","127.481","0.003","90","","4247.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H146 Mo16 N12 O79 -","- C108 H116 Mo16 N12 O79 -","- C108 H116 Mo16 N12 O79 -","1","0.25","","Jiao Guo; Jin Yang; Ying-Ying Liu; Jian-Fang Ma","Two new polyoxometalate-templated supramolecular compounds constructed by a new tridentate ligand 2,4,6-tris[1-(4-oxidroxypyridinium)-ylmethyl]-mesitylene","Inorganica Chimica Acta","2013","400","","51","58","","","","0.71073","MoKα","","0.0869","0.0547","","","0.1366","0.1608","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516912","13.756","0.005","23.821","0.008","12.814","0.005","90","","111.482","0.004","90","","3907","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H70 N6 O52 Si W12 -","- C54 H58 N6 O52 Si W12 -","- C108 H116 N12 O104 Si2 W24 -","2","0.5","","Jiao Guo; Jin Yang; Ying-Ying Liu; Jian-Fang Ma","Two new polyoxometalate-templated supramolecular compounds constructed by a new tridentate ligand 2,4,6-tris[1-(4-oxidroxypyridinium)-ylmethyl]-mesitylene","Inorganica Chimica Acta","2013","400","","51","58","","","","0.71069","MoKα","","0.0911","0.0764","","","0.1563","0.1637","","","","","","1.218","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516913","25.8063","0.001","25.8063","0.001","25.8063","0.001","90","","90","","90","","17186.1","1.2","273","2","273","2","","","","","","","","6","I a -3","-I 2b 2c 3","206","","","","- C30 H30 Mo24 N6 O82.96 P2 -","- C30 H30 Mo24 N6 O82.96 P2 -","- C240 H240 Mo192 N48 O663.68 P16 -","8","0.166667","","Mingli Qi; Kai Yu; Zhanhua Su; Chunxiao Wang; Chunmei Wang; Baibin Zhou; Chuncheng Zhu","Assembly of four new supramolecular compounds based on Keggin phosphomolybdate and different organocations","Inorganica Chimica Acta","2013","400","","59","66","","","","0.71073","MoKα","","0.0626","0.0553","","","0.1244","0.1274","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516914","12.8887","0.0014","13.2162","0.0014","14.316","0.0015","83.515","0.001","80.831","0.001","88.674","0.001","2392","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H27 Mo12 N8 O40 P -","- C18 H27 Mo12 N8 O40 P -","- C36 H54 Mo24 N16 O80 P2 -","2","1","","Mingli Qi; Kai Yu; Zhanhua Su; Chunxiao Wang; Chunmei Wang; Baibin Zhou; Chuncheng Zhu","Assembly of four new supramolecular compounds based on Keggin phosphomolybdate and different organocations","Inorganica Chimica Acta","2013","400","","59","66","","","","0.71073","MoKα","","0.0697","0.0408","","","0.0889","0.1023","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516915","11.836","0.005","12.033","0.005","17.285","0.005","72.67","0.005","74.861","0.005","70.914","0.005","2183.9","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 Mo12 N6 O40 P -","- C14 H21 Mo12 N6 O40 P -","- C28 H42 Mo24 N12 O80 P2 -","2","1","","Mingli Qi; Kai Yu; Zhanhua Su; Chunxiao Wang; Chunmei Wang; Baibin Zhou; Chuncheng Zhu","Assembly of four new supramolecular compounds based on Keggin phosphomolybdate and different organocations","Inorganica Chimica Acta","2013","400","","59","66","","","","0.71069","MoKα","","0.0238","0.0221","","","0.055","0.0561","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516916","11.8442","0.0012","12.1069","0.0012","17.7816","0.0018","74.081","0.001","70.931","0.001","71.804","0.001","2246.9","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Mo12 N6 O40 P -","- C15 H23 Mo12 N6 O40 P -","- C30 H46 Mo24 N12 O80 P2 -","2","1","","Mingli Qi; Kai Yu; Zhanhua Su; Chunxiao Wang; Chunmei Wang; Baibin Zhou; Chuncheng Zhu","Assembly of four new supramolecular compounds based on Keggin phosphomolybdate and different organocations","Inorganica Chimica Acta","2013","400","","59","66","","","","0.71073","MoKα","","0.0411","0.0347","","","0.0891","0.0936","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516917","26.2339","0.0016","26.2339","0.0016","12.0733","0.0014","90","","90","","90","","8309.1","1.2","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H19 N3 Nd2 O14 -","- C12 H19 N3 Nd2 O14 -","- C192 H304 N48 Nd32 O224 -","16","1","","Limin Zhang; Naiqian Yu; Kaihong Zhang; Ruishuo Qiu; Yixuan Zhao; Wencong Rong; Hong Deng","Syntheses, structure, and properties of a series of three-dimensional lanthanide-based hybrid frameworks","Inorganica Chimica Acta","2013","400","","67","73","","","","0.71073","MoKα","","0.0343","0.0288","","","0.0676","0.0701","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516918","26.019","0.003","26.019","0.003","12.0188","0.0012","90","","90","","90","","8136.6","1.6","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H19 Eu2 N3 O14 -","- C12 H19 Eu2 N3 O14 -","- C192 H304 Eu32 N48 O224 -","16","1","","Limin Zhang; Naiqian Yu; Kaihong Zhang; Ruishuo Qiu; Yixuan Zhao; Wencong Rong; Hong Deng","Syntheses, structure, and properties of a series of three-dimensional lanthanide-based hybrid frameworks","Inorganica Chimica Acta","2013","400","","67","73","","","","0.71073","MoKα","","0.0498","0.0351","","","0.0613","0.0664","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516919","25.824","0.005","25.824","0.005","11.966","0.003","90","","90","","90","","7980","3","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H19 N3 O14 Tb2 -","- C12 H19 N3 O14 Tb2 -","- C192 H304 N48 O224 Tb32 -","16","1","","Limin Zhang; Naiqian Yu; Kaihong Zhang; Ruishuo Qiu; Yixuan Zhao; Wencong Rong; Hong Deng","Syntheses, structure, and properties of a series of three-dimensional lanthanide-based hybrid frameworks","Inorganica Chimica Acta","2013","400","","67","73","","","","0.71073","MoKα","","0.0308","0.0261","","","0.0622","0.064","","","","","","1.059","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516920","25.803","0.003","25.803","0.003","11.9679","0.0015","90","","90","","90","","7968.2","1.6","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H19 Dy2 N3 O14 -","- C12 H19 Dy2 N3 O14 -","- C192 H304 Dy32 N48 O224 -","16","1","","Limin Zhang; Naiqian Yu; Kaihong Zhang; Ruishuo Qiu; Yixuan Zhao; Wencong Rong; Hong Deng","Syntheses, structure, and properties of a series of three-dimensional lanthanide-based hybrid frameworks","Inorganica Chimica Acta","2013","400","","67","73","","","","0.71073","MoKα","","0.0686","0.0551","","","0.1027","0.1097","","","","","","1.067","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516921","26.164","0.004","9.233","0.0015","23.666","0.004","90","","108.41","0.003","90","","5424.5","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H25 Cd N2 O9 -","- C28 H25 Cd N2 O9 -","- C224 H200 Cd8 N16 O72 -","8","1","","Jun Chen; Guo-Ping Yang; Wen-Huan Huang; Ling-Yan Pang; Cui-Ping Zhang; Yao-Yu Wang; Qi-Zhen Shi","The nature of the metal ions influenced formation of coordination polymers based on asymmetric semi-rigid 3-(4-carboxyphenoxy)phthalic acid with N-heterocyclic ligands","Inorganica Chimica Acta","2013","400","","7","12","","","","0.71073","MoKα","","0.1015","0.0662","","","0.156","0.1888","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516922","10.9809","0.0013","11.7784","0.0013","12.1259","0.0014","63.892","0.002","83.12","0.002","77.689","0.002","1375.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Co N2 O9 -","- C28 H26 Co N2 O9 -","- C56 H52 Co2 N4 O18 -","2","1","","Jun Chen; Guo-Ping Yang; Wen-Huan Huang; Ling-Yan Pang; Cui-Ping Zhang; Yao-Yu Wang; Qi-Zhen Shi","The nature of the metal ions influenced formation of coordination polymers based on asymmetric semi-rigid 3-(4-carboxyphenoxy)phthalic acid with N-heterocyclic ligands","Inorganica Chimica Acta","2013","400","","7","12","","","","0.71073","MoKα","","0.1174","0.0759","","","0.1781","0.1973","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516923","16.9556","0.0015","9.0102","0.0008","24.685","0.002","90","","106.846","0.002","90","","3609.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H35 Ag2 N4 O7 -","- C41 H35 Ag2 N4 O7 -","- C164 H140 Ag8 N16 O28 -","4","1","","Jun Chen; Guo-Ping Yang; Wen-Huan Huang; Ling-Yan Pang; Cui-Ping Zhang; Yao-Yu Wang; Qi-Zhen Shi","The nature of the metal ions influenced formation of coordination polymers based on asymmetric semi-rigid 3-(4-carboxyphenoxy)phthalic acid with N-heterocyclic ligands","Inorganica Chimica Acta","2013","400","","7","12","","","","0.71073","MoKα","","0.1046","0.074","","","0.1883","0.2097","","","","","","1.18","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516924","7.3631","0.0001","13.5745","0.0004","13.7274","0.0002","87.4473","0.0048","74.6508","0.0039","86.9204","0.0054","1320.55","0.05","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C28 H34 Cl2 N2 Ru -","- C28 H34 Cl2 N2 Ru -","- C56 H68 Cl4 N4 Ru2 -","2","1","","Deniz Mercan; Engin Cetinkaya; Ertan Sahin","Ru(II)-arene complexes with N-substituted 3,4-dihydroquinazoline ligands and catalytic activity for transfer hydrogenation reaction","Inorganica Chimica Acta","2013","400","","74","81","","","x-ray","0.71073","MoKα","","0.1348","0.0791","","","0.11","0.1979","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516925","8.136","0.019","8.54","0.02","11.79","0.03","86.97","0.02","80.99","0.02","79.16","0.02","794","3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 N -","- C19 H22 N -","- C38 H44 N2 -","2","1","","Jianchao Yuan; Fengying Song; Jing Li; Zong Jia; Fuzhou Wang; Bingnian Yuan","Chiral {bis[N,N'-(2-ethyl-6-methylphenyl)imino]-1,2-dimethylethane} dibromonickel bearing sec-phenethyl groups: Synthesis, characterization and application in synthesis of nanosized dendritic polyethylene","Inorganica Chimica Acta","2013","400","","99","106","","","","0.71073","MoKα","","0.2248","0.1248","","","0.3552","0.442","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516926","12.214","0.01","25.21","0.02","12.436","0.011","90","","106.149","0.009","90","","3678","5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 Br2 N2 Ni -","- C38 H44 Br2 N2 Ni -","- C152 H176 Br8 N8 Ni4 -","4","1","","Jianchao Yuan; Fengying Song; Jing Li; Zong Jia; Fuzhou Wang; Bingnian Yuan","Chiral {bis[N,N'-(2-ethyl-6-methylphenyl)imino]-1,2-dimethylethane} dibromonickel bearing sec-phenethyl groups: Synthesis, characterization and application in synthesis of nanosized dendritic polyethylene","Inorganica Chimica Acta","2013","400","","99","106","","","","0.71073","MoKα","","0.2789","0.103","","","0.2251","0.296","","","","","","1.15","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516927","10.437","0.003","13.099","0.004","13.77","0.004","71.356","0.004","69.014","0.004","67.803","0.004","1590","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H32 F6 Fe N3 O4 P V -","- C28 H30 F6 Fe N3 O4 P V -","- C56 H60 F12 Fe2 N6 O8 P2 V2 -","2","1","","Babu Balaji; Kumar Somyajit; Bhabatosh Banik; Ganesh Nagaraju; Akhil R. Chakravarty","Photoactivated DNA cleavage and anticancer activity of oxovanadium(IV) complexes of curcumin","Inorganica Chimica Acta","2013","400","","142","150","","","","0.71073","MoKα","","0.0864","0.0681","","","0.1972","0.2129","","","","","","0.966","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516928","15.7424","0.0017","12.1464","0.0011","23.968","0.004","90","","107.058","0.005","90","","4381.4","1","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H59 B N4 Ni2 O7 -","- C41 H61 B N4 Ni2 O7 -","- C164 H244 B4 N16 Ni8 O28 -","4","1","","Katsura Mochizuki; Junpei Takahashi; Yukiko Ishima; Tomomi Shindo","Synthesis and structures of urea-coordinated dinickel(II) complexes with binucleating ligand 1,3-bis(N-(2-(dimethylamino)ethyl)-N-methylamino)propan-2-ol (HL1) and its a nalogs","Inorganica Chimica Acta","2013","400","","151","158","","","","0.71075","MoKα","","","0.0583","","","","0.1595","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516929","17.591","0.008","17.449","0.005","17.256","0.007","90","","104.69","0.04","90","","5124","4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H73 B N6 Ni2 O8 -","- C46 H73 B N6 Ni2 O8 -","- C184 H292 B4 N24 Ni8 O32 -","4","1","","Katsura Mochizuki; Junpei Takahashi; Yukiko Ishima; Tomomi Shindo","Synthesis and structures of urea-coordinated dinickel(II) complexes with binucleating ligand 1,3-bis(N-(2-(dimethylamino)ethyl)-N-methylamino)propan-2-ol (HL1) and its a nalogs","Inorganica Chimica Acta","2013","400","","151","158","","","","0.71073","MoKα","","0.1069","0.0586","","","0.1307","0.1586","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516930","18.23","0.003","15.284","0.003","16.364","0.004","90","","101.445","0.016","90","","4468.8","1.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 B Cl2 N7 Ni2 O3 -","- C40 H60 B Cl2 N7 Ni2 O3 -","- C160 H240 B4 Cl8 N28 Ni8 O12 -","4","1","","Katsura Mochizuki; Junpei Takahashi; Yukiko Ishima; Tomomi Shindo","Synthesis and structures of urea-coordinated dinickel(II) complexes with binucleating ligand 1,3-bis(N-(2-(dimethylamino)ethyl)-N-methylamino)propan-2-ol (HL1) and its a nalogs","Inorganica Chimica Acta","2013","400","","151","158","","","","0.71073","MoKα","","0.1336","0.0763","","","0.1716","0.2124","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516931","11.618","0.007","14","0.008","14.87","0.008","76.444","0.015","84.969","0.018","86.123","0.017","2339","2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H62 B N3 Ni2 O9 -","- C45 H62 B N3 Ni2 O9 -","- C90 H124 B2 N6 Ni4 O18 -","2","1","","Katsura Mochizuki; Junpei Takahashi; Yukiko Ishima; Tomomi Shindo","Synthesis and structures of urea-coordinated dinickel(II) complexes with binucleating ligand 1,3-bis(N-(2-(dimethylamino)ethyl)-N-methylamino)propan-2-ol (HL1) and its a nalogs","Inorganica Chimica Acta","2013","400","","151","158","","","","0.71075","MoKα","","","0.0531","","","","0.1502","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516932","11.765","0.003","14.412","0.0014","18.546","0.0018","95.475","0.008","91.001","0.012","93.904","0.012","3122.1","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H83 B2 Cl N4 Ni2 O9 -","- C64 H83 B2 Cl N4 Ni2 O9 -","- C128 H166 B4 Cl2 N8 Ni4 O18 -","2","1","","Katsura Mochizuki; Junpei Takahashi; Yukiko Ishima; Tomomi Shindo","Synthesis and structures of urea-coordinated dinickel(II) complexes with binucleating ligand 1,3-bis(N-(2-(dimethylamino)ethyl)-N-methylamino)propan-2-ol (HL1) and its a nalogs","Inorganica Chimica Acta","2013","400","","151","158","","","","0.71073","MoKα","","0.0594","0.0387","","","0.0922","0.1049","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516933","14.169","0.006","18.064","0.007","18.342","0.008","90","","98.824","0.004","90","","4639","3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 B N3 Ni2 O8 -","- C44 H64 B N3 Ni2 O8 -","- C176 H256 B4 N12 Ni8 O32 -","4","1","","Katsura Mochizuki; Junpei Takahashi; Yukiko Ishima; Tomomi Shindo","Synthesis and structures of urea-coordinated dinickel(II) complexes with binucleating ligand 1,3-bis(N-(2-(dimethylamino)ethyl)-N-methylamino)propan-2-ol (HL1) and its a nalogs","Inorganica Chimica Acta","2013","400","","151","158","","","","0.71075","MoKα","","","0.0476","","","","0.1197","","","","","","1.099","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516934","11.254","0.005","15.027","0.006","27.273","0.01","90","","91.374","0.005","90","","4611","3","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H62 B N5 Ni2 O8 -","- C43 H62 B N5 Ni2 O8 -","- C172 H248 B4 N20 Ni8 O32 -","4","1","","Katsura Mochizuki; Junpei Takahashi; Yukiko Ishima; Tomomi Shindo","Synthesis and structures of urea-coordinated dinickel(II) complexes with binucleating ligand 1,3-bis(N-(2-(dimethylamino)ethyl)-N-methylamino)propan-2-ol (HL1) and its a nalogs","Inorganica Chimica Acta","2013","400","","151","158","","","","0.71075","MoKα","","","0.0599","","","","0.1615","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516935","47.1867","0.0014","10.1593","0.0003","25.3842","0.0008","90","","120.001","0.002","90","","10538.4","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H35 Cl2 N O3 Sn -","- C22 H35 Cl2 N O3 Sn -","- C352 H560 Cl32 N16 O48 Sn16 -","16","2","","Farooq Ali Shah; Muhammad Sirajuddin; Saqib Ali; Syed Mustansar Abbas; Muhammad Nawaz Tahir; Corrado Rizzoli","Synthesis, spectroscopic characterization, X-ray structure and biological screenings of organotin(IV) 3-[(3,5-dichlorophenylamido)]propanoates","Inorganica Chimica Acta","2013","400","","159","162","","","","0.71073","MoKα","","0.0864","0.0463","","","0.1036","0.1315","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516936","10.361","0.003","27.083","0.005","9.692","0.002","90","","97.902","0.007","90","","2693.8","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cl2 N O3 Sn -","- C28 H23 Cl2 N O3 Sn -","- C112 H92 Cl8 N4 O12 Sn4 -","4","1","","Farooq Ali Shah; Muhammad Sirajuddin; Saqib Ali; Syed Mustansar Abbas; Muhammad Nawaz Tahir; Corrado Rizzoli","Synthesis, spectroscopic characterization, X-ray structure and biological screenings of organotin(IV) 3-[(3,5-dichlorophenylamido)]propanoates","Inorganica Chimica Acta","2013","400","","159","162","","","","0.71073","MoKα","","0.051","0.0397","","","0.1039","0.1116","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516937","28.218","0.002","10.8849","0.0011","10.7915","0.0009","90","","106.817","0.001","90","","3172.9","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N3 O5 Zn -","- C15 H14 N3 O5 Zn -","- C120 H112 N24 O40 Zn8 -","8","1","","Wang, Yan; Liu, Zhiqing; Zhou, Juhong; Wang, Tao; Wang, Suna; Liu, Guangxiang; Wang, Xiaoxiao; Gao, Ya; Xu, Jing","A series of transition coordination polymers assembled by asymmetric dicarboxylic acid and flexible bridging ligand: Structural diversities, topologies and properties","Inorganica Chimica Acta","2013","400","","169","178","","","","0.71073","MoKα","","0.0455","0.0299","","","0.0663","0.0723","","","","","","0.972","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516938","7.5872","0.0006","12.2872","0.0011","15.3589","0.0015","68.173","0.001","86.445","0.002","72.809","0.001","1268","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cd2 N3 O9 -","- C24 H20 Cd2 N3 O9 -","- C48 H40 Cd4 N6 O18 -","2","1","","Wang, Yan; Liu, Zhiqing; Zhou, Juhong; Wang, Tao; Wang, Suna; Liu, Guangxiang; Wang, Xiaoxiao; Gao, Ya; Xu, Jing","A series of transition coordination polymers assembled by asymmetric dicarboxylic acid and flexible bridging ligand: Structural diversities, topologies and properties","Inorganica Chimica Acta","2013","400","","169","178","","","","0.71073","MoKα","","0.0561","0.0339","","","0.0722","0.0847","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516939","8.354","0.0008","9.9055","0.0009","11.9259","0.0012","91.392","0.001","104.428","0.001","114.077","0.002","863.7","0.14","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","{[Co(hpht)(ptmb)0.5(H2O)2]-H2O}","","- C15 H18 Co N3 O7 -","- C15 H18 Co N3 O7 -","- C30 H36 Co2 N6 O14 -","2","1","","Wang, Yan; Liu, Zhiqing; Zhou, Juhong; Wang, Tao; Wang, Suna; Liu, Guangxiang; Wang, Xiaoxiao; Gao, Ya; Xu, Jing","A series of transition coordination polymers assembled by asymmetric dicarboxylic acid and flexible bridging ligand: Structural diversities, topologies and properties","Inorganica Chimica Acta","2013","400","","169","178","","","","0.71073","MoKα","","0.043","0.0341","","","0.0905","0.0971","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516940","11.47","0.04","13.33","0.04","19.23","0.05","90","","122.3","0.14","90","","2485","14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","{[Ni(HPA)(ptmb)(H2O)2]-H2O}","","- C21 H24 N6 Ni O7 -","- C21 H24 N6 Ni O7 -","- C84 H96 N24 Ni4 O28 -","4","1","","Wang, Yan; Liu, Zhiqing; Zhou, Juhong; Wang, Tao; Wang, Suna; Liu, Guangxiang; Wang, Xiaoxiao; Gao, Ya; Xu, Jing","A series of transition coordination polymers assembled by asymmetric dicarboxylic acid and flexible bridging ligand: Structural diversities, topologies and properties","Inorganica Chimica Acta","2013","400","","169","178","","","","0.71073","MoKα","","0.3251","0.1427","","","0.186","0.2524","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516941","33.552","0.007","11.631","0.002","30.295","0.006","90","","90","","90","","11822","4","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C113 H116 Cu9 N28 O21 -","- C113 H116 Cu9 N28 O21 -","- C452 H464 Cu36 N112 O84 -","4","1","","Dongcheng Liu; Zilu Chen; Wanyun Huang; Suni Qin; Liping Jiang; Suping Zhou; Fupei Liang","Metal clusters constructed by dihydrazide ligand: Synthesis, structure and magnetic properties","Inorganica Chimica Acta","2013","400","","179","183","","","","0.71073","MoKα","","0.0926","0.0853","","","0.2231","0.2325","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516942","18.2086","0.0003","16.0597","0.0002","19.708","0.0003","90","","94.204","0.001","90","","5747.6","0.15","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H76 Co5 N20 O12 -","- C92 H76 Co5 N20 O12 -","- C184 H152 Co10 N40 O24 -","2","0.5","","Dongcheng Liu; Zilu Chen; Wanyun Huang; Suni Qin; Liping Jiang; Suping Zhou; Fupei Liang","Metal clusters constructed by dihydrazide ligand: Synthesis, structure and magnetic properties","Inorganica Chimica Acta","2013","400","","179","183","","","","0.71073","MoKα","","0.0886","0.0496","","","0.1189","0.1288","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516943","11.9186","0.0012","12.2974","0.0012","15.2404","0.0013","102.571","0.008","92.372","0.008","99.842","0.008","2140.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H47 Cu4 N5 O12 -","- C42 H47 Cu4 N5 O12 -","- C84 H94 Cu8 N10 O24 -","2","1","","Zhengliang Lu; Tao Fan; Weiwei Guo; Jing Lu; Chunhua Fan","Synthesis, structure and magnetism of three cubane Cu(II) and Ni(II) complexes based on flexible Schiff-base ligands","Inorganica Chimica Acta","2013","400","","191","196","","","","0.71073","MoKα","","0.0535","0.0373","","","0.0832","0.095","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516944","14.106","0.0016","15.0618","0.0018","16.6812","0.0011","69.543","0.009","73.547","0.008","72.281","0.01","3100.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H68 N4 Ni4 O20 -","- C44 H68 N4 Ni4 O20 -","- C88 H136 N8 Ni8 O40 -","2","1","","Zhengliang Lu; Tao Fan; Weiwei Guo; Jing Lu; Chunhua Fan","Synthesis, structure and magnetism of three cubane Cu(II) and Ni(II) complexes based on flexible Schiff-base ligands","Inorganica Chimica Acta","2013","400","","191","196","","","","0.71073","MoKα","","0.147","0.0907","","","0.2155","0.2689","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516945","14.9988","0.0014","15.1184","0.0016","17.0828","0.0016","68.287","0.01","66.409","0.009","70.254","0.01","3215.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 N4 Ni4 O22 -","- C48 H76 N4 Ni4 O22 -","- C96 H152 N8 Ni8 O44 -","2","1","","Zhengliang Lu; Tao Fan; Weiwei Guo; Jing Lu; Chunhua Fan","Synthesis, structure and magnetism of three cubane Cu(II) and Ni(II) complexes based on flexible Schiff-base ligands","Inorganica Chimica Acta","2013","400","","191","196","","","","0.71073","MoKα","","0.1562","0.084","","","0.2108","0.2725","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516946","8.0349","0.0005","13.5623","0.0008","17.5006","0.001","86.712","0.005","77.043","0.005","80.322","0.005","1831.68","0.19","99.95","0.17","99.95","0.17","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17.5 Cl2 N2.5 Pd -","- C19 H17.5 Cl2 N2.5 Pd -","- C76 H70 Cl8 N10 Pd4 -","4","2","","William M. Motswainyana; Martin O. Onani; Abram M. Madiehe; Morounke Saibu; Jeroen Jacobs; Luc van Meervelt","Imino-quinolyl palladium(II) and platinum(II) complexes: Synthesis, characterization, molecular structures and cytotoxic effect","Inorganica Chimica Acta","2013","400","","197","202","","","","0.7107","MoKα","","0.044","0.0358","","","0.0843","0.0914","","","","","","1.076","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1516947","11.4731","0.0006","13.0007","0.0008","14.8263","0.0008","90","","106.356","0.006","90","","2122","0.2","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl2 N2 Pd -","- C22 H24 Cl2 N2 Pd -","- C88 H96 Cl8 N8 Pd4 -","4","1","","William M. Motswainyana; Martin O. Onani; Abram M. Madiehe; Morounke Saibu; Jeroen Jacobs; Luc van Meervelt","Imino-quinolyl palladium(II) and platinum(II) complexes: Synthesis, characterization, molecular structures and cytotoxic effect","Inorganica Chimica Acta","2013","400","","197","202","","","","0.7107","MoKα","","0.0551","0.0434","","","0.0824","0.0891","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516948","18.9946","0.0011","14.1611","0.0008","19.0729","0.001","90","","112.113","0.001","90","","4752.9","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H100 Mo8 N12 O32 -","- C78 H84 Mo8 N12 O32 -","- C156 H168 Mo16 N24 O64 -","2","0.5","","Jia Gu; Xuee Jiang; Zhanhua Su; Zhifeng Zhao; Baibin Zhou","Self-assembly of gamma-octamolybdate-based frameworks decorated by 1,3-bis(4-pyridyl)propane through covalent bond","Inorganica Chimica Acta","2013","400","","210","214","","","","0.71073","MoKα","","0.0422","0.0302","","","0.0713","0.0791","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516949","10.6712","0.0007","21.4989","0.0014","22.9381","0.0015","90","","96.812","0.001","90","","5225.3","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H46 Mo8 N6 O26 -","- C39 H42 Mo8 N6 O26 -","- C156 H168 Mo32 N24 O104 -","4","1","","Jia Gu; Xuee Jiang; Zhanhua Su; Zhifeng Zhao; Baibin Zhou","Self-assembly of gamma-octamolybdate-based frameworks decorated by 1,3-bis(4-pyridyl)propane through covalent bond","Inorganica Chimica Acta","2013","400","","210","214","","","","0.71073","MoKα","","0.0405","0.0286","","","0.0649","0.0705","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516950","9.1471","0.0011","13.362","0.0015","14.7072","0.0017","75.808","0.005","78.661","0.005","87.864","0.005","1708.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H56 N2 O8 P2 S4 Sn2 -","- C68 H56 N2 O8 P2 S4 Sn2 -","- C68 H56 N2 O8 P2 S4 Sn2 -","1","0.5","","Radu F. Semeniuc; Robert R. Baum; Jedidiah J. Veach; Kraig A. Wheeler; Perry J. Pellechia","Metal complexes of ditopic dithiophosphonate ligands built on a naphthalenediimide core","Inorganica Chimica Acta","2013","400","","228","238","","","","1.54178","CuKα","","0.139","0.099","","","0.2289","0.2505","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1516951","9.2045","0.0001","11.541","0.0002","23.4034","0.0004","85.15","0.001","89.605","0.001","75.421","0.001","2397.19","0.06","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C106 H90 Cl4 Cu2 N2 O8 P6 S4 -","- C106 H90 Cl4 Cu2 N2 O8 P6 S4 -","- C106 H90 Cl4 Cu2 N2 O8 P6 S4 -","1","0.5","","Radu F. Semeniuc; Robert R. Baum; Jedidiah J. Veach; Kraig A. Wheeler; Perry J. Pellechia","Metal complexes of ditopic dithiophosphonate ligands built on a naphthalenediimide core","Inorganica Chimica Acta","2013","400","","228","238","","","","1.54178","CuKα","","0.0594","0.0408","","","0.0975","0.1084","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516952","13.7321","0.0002","10.5102","0.0002","23.2601","0.0003","90","","97.74","0.001","90","","3326.48","0.09","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C72 H64 N2 O10 P2 S4 Sn2 -","- C72 H64 N2 O10 P2 S4 Sn2 -","- C144 H128 N4 O20 P4 S8 Sn4 -","2","1","","Radu F. Semeniuc; Robert R. Baum; Jedidiah J. Veach; Kraig A. Wheeler; Perry J. Pellechia","Metal complexes of ditopic dithiophosphonate ligands built on a naphthalenediimide core","Inorganica Chimica Acta","2013","400","","228","238","","","","1.54178","CuKα","","0.0414","0.0371","","","0.0881","0.0929","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516953","10.9684","0.0002","12.3642","0.0002","17.6112","0.0003","87.54","0.001","88.133","0.001","71.074","0.001","2256.71","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H76 Cl4 N4 O16 P4 S8 Sn2 -","- C90 H76 Cl4 N4 O16 P4 S8 Sn2 -","- C90 H76 Cl4 N4 O16 P4 S8 Sn2 -","1","0.5","","Radu F. Semeniuc; Robert R. Baum; Jedidiah J. Veach; Kraig A. Wheeler; Perry J. Pellechia","Metal complexes of ditopic dithiophosphonate ligands built on a naphthalenediimide core","Inorganica Chimica Acta","2013","400","","228","238","","","","1.54178","CuKα","","0.0286","0.0268","","","0.0714","0.0742","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516954","12.3562","0.0003","13.0479","0.0002","18.2453","0.0004","91.405","0.001","105.836","0.001","105.259","0.001","2715.4","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H48 Cl4 N2 O10 P2 S4 Sn -","- C50 H48 Cl4 N2 O10 P2 S4 Sn -","- C100 H96 Cl8 N4 O20 P4 S8 Sn2 -","2","1","","Radu F. Semeniuc; Robert R. Baum; Jedidiah J. Veach; Kraig A. Wheeler; Perry J. Pellechia","Metal complexes of ditopic dithiophosphonate ligands built on a naphthalenediimide core","Inorganica Chimica Acta","2013","400","","228","238","","","","1.54178","CuKα","","0.0465","0.045","","","0.1182","0.1191","","","","","","1.192","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516955","8.148","0.002","9.37","0.003","10.179","0.003","66.618","0.003","73.234","0.003","83.832","0.003","683","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N3 O9 Sm -","- C9 H10 N3 O9 Sm -","- C18 H20 N6 O18 Sm2 -","2","1","","Zhao-Hao Li; Dong-Feng Hong; Li-Ping Xue; Wei-Jun Fu; Bang-Tun Zhao","Two lanthanide-bound 1H-benzotriazole polymers: New potential metal-organic scaffold for solid-phase organic chemistry","Inorganica Chimica Acta","2013","400","","239","242","","","","0.71073","MoKα","","0.014","0.0134","","","0.0324","0.0327","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516956","8.018","0.0019","9.348","0.002","10.09","0.002","66.76","0.002","72.957","0.002","83.524","0.002","664.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 Ho N3 O9 -","- C9 H10 Ho N3 O9 -","- C18 H20 Ho2 N6 O18 -","2","1","","Zhao-Hao Li; Dong-Feng Hong; Li-Ping Xue; Wei-Jun Fu; Bang-Tun Zhao","Two lanthanide-bound 1H-benzotriazole polymers: New potential metal-organic scaffold for solid-phase organic chemistry","Inorganica Chimica Acta","2013","400","","239","242","","","","0.71073","MoKα","","0.0147","0.0141","","","0.0332","0.0335","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516957","12.5378","0.0005","11.7168","0.0005","25.9454","0.0009","90","","95.1122","0.0012","90","","3796.3","0.3","146","","146","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H51 B Fe N10 -","- C41 H47 B Fe N10 -","- C164 H188 B4 Fe4 N40 -","4","1","","Keishiro Murakami; Aki Kitabayashi; Suguru Yamauchi; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Seiichiro Iijima; Masaaki Kojima","Iron(II) complexes with a linear pentadentate ligand H2L1 = bis(N,N'-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine and a monodentate ligand X (X = N3-, NCS-, NCSe-)","Inorganica Chimica Acta","2013","400","","244","249","","","","0.71075","MoKα","","","0.0859","","","","0.2624","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516958","15.543","0.007","12.577","0.005","22.012","0.009","90","","108.803","0.015","90","","4073","3","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H47 B Fe N8 S -","- C42 H47 B Fe N8 S -","- C168 H188 B4 Fe4 N32 S4 -","4","1","","Keishiro Murakami; Aki Kitabayashi; Suguru Yamauchi; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Seiichiro Iijima; Masaaki Kojima","Iron(II) complexes with a linear pentadentate ligand H2L1 = bis(N,N'-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine and a monodentate ligand X (X = N3-, NCS-, NCSe-)","Inorganica Chimica Acta","2013","400","","244","249","","","","0.71075","MoKα","","","0.0636","","","","0.215","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516959","15.558","0.0005","12.6513","0.0003","22.0709","0.0006","90","","108.432","0.0008","90","","4121.3","0.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H47 B Fe N8 Se -","- C42 H47 B Fe N8 Se -","- C168 H188 B4 Fe4 N32 Se4 -","4","1","","Keishiro Murakami; Aki Kitabayashi; Suguru Yamauchi; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Seiichiro Iijima; Masaaki Kojima","Iron(II) complexes with a linear pentadentate ligand H2L1 = bis(N,N'-2-methylimidazol-4-yl-methylideneaminopropyl)methylamine and a monodentate ligand X (X = N3-, NCS-, NCSe-)","Inorganica Chimica Acta","2013","400","","244","249","","","","0.71075","MoKα","","","0.0452","","","","0.1215","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516960","14.654","0.005","11.152","0.005","10.05","0.003","90","","90","","90","","1642.4","1","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 2","P 2 2ab","18","","","","- C39 H34 Cl2 N2 O2 Pd -","- C39 H34 Cl2 N2 O2 Pd -","- C78 H68 Cl4 N4 O4 Pd2 -","2","0.5","","Takashi Tsuno; Haruka Iwabe; Henri Brunner","Synthesis and structural characterization of isomeric palladium(II) complexes with chiral N,O-bidentate ligands","Inorganica Chimica Acta","2013","400","","262","266","","","x-ray","0.71073","MoKα","","0.0212","0.0199","","","0.0463","0.0467","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516961","6.683","0.004","15.639","0.007","15.685","0.007","88.127","0.016","84.123","0.018","79.058","0.019","1600.9","1.4","173","2","173","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C38 H32 N2 O2 Pd -","- C38 H32 N2 O2 Pd -","- C76 H64 N4 O4 Pd2 -","2","2","","Takashi Tsuno; Haruka Iwabe; Henri Brunner","Synthesis and structural characterization of isomeric palladium(II) complexes with chiral N,O-bidentate ligands","Inorganica Chimica Acta","2013","400","","262","266","","","x-ray","0.71073","MoKα","","0.0999","0.0769","","","0.1976","0.2172","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516962","11.3509","0.0002","16.7012","0.0003","7.4757","0.0001","90","","90","","90","","1417.2","0.04","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C11 H19 N Ni O8 -","- C11 H19 N Ni O8 -","- C44 H76 N4 Ni4 O32 -","4","1","","Smrečki, Neven; Kukovec, Boris-Marko; Đaković, Marijana; Popović, Zora","Nickel(II) complexes with N‒aralkyliminodiacetic acids: preparation, spectroscopic, structural and thermal characterization","Inorganica Chimica Acta","2013","400","","122","129","","","","0.71073","MoKα","","0.041","0.0275","","","0.0585","0.0613","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516963","18.1964","0.0004","7.754","0.0002","11.2469","0.0002","90","","102.004","0.002","90","","1552.18","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 N Ni O7 -","- C13 H21 N Ni O7 -","- C52 H84 N4 Ni4 O28 -","4","1","","Smrečki, Neven; Kukovec, Boris-Marko; Đaković, Marijana; Popović, Zora","Nickel(II) complexes with N‒aralkyliminodiacetic acids: preparation, spectroscopic, structural and thermal characterization","Inorganica Chimica Acta","2013","400","","122","129","","","","0.71073","MoKα","","0.0347","0.0253","","","0.0626","0.0644","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516981","16.9468","0.0005","8.9864","0.0003","8.1711","0.0002","90","","90","","90","","1244.38","0.06","200","2","200","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C22 H23 Cd N3 S4 -","- C22 H23 Cd N3 S4 -","- C44 H46 Cd2 N6 S8 -","2","0.5","","Damian C. Onwudiwe; Christien A. Strydom; Eric C. Hosten","Effect of methyl substituent in pyridine on the spectral and thermal properties of pyridyl adducts of Zn(II) and Cd(II) dithiocarbamate","Inorganica Chimica Acta","2013","401","","1","10","","","","0.71073","MoKα","","0.0617","0.0578","","","0.1464","0.1491","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516982","16.6557","0.0003","17.6455","0.0003","9.2332","0.0002","90","","91.473","0.001","90","","2712.72","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cd N4 S4 -","- C26 H26 Cd N4 S4 -","- C104 H104 Cd4 N16 S16 -","4","1","","Damian C. Onwudiwe; Christien A. Strydom; Eric C. Hosten","Effect of methyl substituent in pyridine on the spectral and thermal properties of pyridyl adducts of Zn(II) and Cd(II) dithiocarbamate","Inorganica Chimica Acta","2013","401","","1","10","","","","0.71073","MoKα","","0.0379","0.0258","","","0.0565","0.0616","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516983","19.1121","0.0008","8.2591","0.0003","12.8459","0.0005","90","","104.63","0.003","90","","1961.96","0.14","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 Mo N2 O3 S3 -","- C17 H22 Mo N2 O3 S3 -","- C68 H88 Mo4 N8 O12 S12 -","4","1","","Takahiko Ogawa; Koji Koike; Jun Matsumoto; Yuji Kajita; Hideki Masuda","Synthesis and characterization of tricarbonyl-molybdenum complexes bearing monoaza-trithia-macrocyclic ligands","Inorganica Chimica Acta","2013","401","","101","106","","","","0.7107","MoKα","","","0.0212","","","","0.0551","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516984","29.541","0.004","8.9741","0.0011","12.7826","0.0016","90","","90","","90","","3388.7","0.8","173","","173","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H21 Mo N O3 S3 -","- C13 H21 Mo N O3 S3 -","- C104 H168 Mo8 N8 O24 S24 -","8","2","","Takahiko Ogawa; Koji Koike; Jun Matsumoto; Yuji Kajita; Hideki Masuda","Synthesis and characterization of tricarbonyl-molybdenum complexes bearing monoaza-trithia-macrocyclic ligands","Inorganica Chimica Acta","2013","401","","101","106","","","","0.7107","MoKα","","","0.0306","","","","0.0665","","","","","","1.098","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516985","10.2009","0.0012","9.7997","0.0011","10.1272","0.0012","90","","101.047","0.001","90","","993.6","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 O6 Pb -","- C10 H8 O6 Pb -","- C40 H32 O24 Pb4 -","4","0.5","","Marlon T. Conato; Xiqu Wang; Allan J. Jacobson","Synthesis and crystal structures of complexes based on the ligand meso-1,4-phenylenebis(hydroxyacetic acid)","Inorganica Chimica Acta","2013","401","","24","29","","","","0.71073","MoKα","","0.0276","0.0245","","","0.0663","0.0677","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516986","20.7272","0.0018","12.9346","0.0011","10.2507","0.0009","90","","102.431","0.001","90","","2683.8","0.4","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Co O10 -","- C10 H16 Co O10 -","- C80 H128 Co8 O80 -","8","1","","Marlon T. Conato; Xiqu Wang; Allan J. Jacobson","Synthesis and crystal structures of complexes based on the ligand meso-1,4-phenylenebis(hydroxyacetic acid)","Inorganica Chimica Acta","2013","401","","24","29","","","","0.71073","MoKα","","0.0282","0.0247","","","0.0702","0.0719","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516987","20.7801","0.0014","12.8656","0.0009","10.2531","0.0007","90","","102.678","0.001","90","","2674.3","0.3","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 O10 Zn -","- C10 H16 O10 Zn -","- C80 H128 O80 Zn8 -","8","1","","Marlon T. Conato; Xiqu Wang; Allan J. Jacobson","Synthesis and crystal structures of complexes based on the ligand meso-1,4-phenylenebis(hydroxyacetic acid)","Inorganica Chimica Acta","2013","401","","24","29","","","","0.71073","MoKα","","0.0336","0.029","","","0.0802","0.0825","","","","","","0.953","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516988","6.787","0.003","23.691","0.01","4.5084","0.0019","90","","90","","90","","724.9","0.5","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C34 H32 O12 -","2","0.5","","Victor Barba; Paola Ramos; Danae Jimenez; Abraham Rivera; Ariel Meneses","Calixarene and hemicarcerand-like compounds obtained by self-assembly of 3-aminophenylboronic acid and salicylaldehyde derivatives","Inorganica Chimica Acta","2013","401","","30","37","","","","0.71073","MoKα","","0.0455","0.0404","","","0.0804","0.0866","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516989","4.5421","0.0002","12.455","0.0007","18.85","0.0009","90","","90.625","0.003","90","","1066.32","0.09","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0665","0.045","","","0.1116","0.1221","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516990","24.1856","0.0004","11.2518","0.0004","26.716","0.0009","90","","93.795","0.002","90","","7254.3","0.4","233","2","233","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N2 -","- C20 H26 N2 -","- C320 H416 N32 -","16","2","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0858","0.0571","","","0.1329","0.1458","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516991","11.2144","0.0004","21.3255","0.0009","7.0455","0.0002","90","","93.732","0.002","90","","1681.38","0.1","233","2","233","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 -","- C21 H20 N2 -","- C84 H80 N8 -","4","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0522","0.0413","","","0.1082","0.1141","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516992","9.002","0.003","10.9823","0.0004","21.1272","0.0007","90","","97.961","0.002","90","","2068.6","0.7","233","2","233","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 -","- C24 H28 N2 -","- C96 H112 N8 -","4","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0571","0.0467","","","0.1207","0.1276","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516993","11.3408","0.0005","18.7613","0.0008","12.489","0.0003","90","","105.247","0.002","90","","2563.73","0.17","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H31 Cl N2 -","- C29.5 H31 Cl N2 -","- C118 H124 Cl4 N8 -","4","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0716","0.0495","","","0.1324","0.1449","","","","","","1.048","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516994","11.012","0.0004","15.932","0.0009","17.0779","0.0009","107.968","0.002","99.26","0.003","109.543","0.003","2566.7","0.2","233","2","233","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 Cl4 Li4 N4 O4 -","- C54 H40 Cl4 Li4 N4 O4 -","- C108 H80 Cl8 Li8 N8 O8 -","2","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.1014","0.0706","","","0.1886","0.2087","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516995","8.789","0.0003","10.2331","0.0002","17.4981","0.0005","75.609","0.002","88.98","0.002","87.036","0.002","1522.32","0.08","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H82 Li2 N4 O3 -","- C70 H82 Li2 N4 O3 -","- C70 H82 Li2 N4 O3 -","1","0.5","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0701","0.0551","","","0.1456","0.1553","","","","","","1.054","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516996","9.6242","0.0001","18.0723","0.0003","15.0107","0.0003","90","","101.713","0.001","90","","2556.47","0.07","233","2","233","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H42 Cl4 N4 O5 Zr2 -","- C53 H40 Cl4 N4 O5 Zr2 -","- C106 H80 Cl8 N8 O10 Zr4 -","2","0.5","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0273","0.0239","","","0.0638","0.0655","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516997","12.7194","0.0002","22.1936","0.0006","18.2873","0.0006","90","","97.899","0.002","90","","5113.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H58 Cl2 N4 O2 Zr -","- C58 H42 Cl2 N4 O2 Zr -","- C232 H168 Cl8 N16 O8 Zr4 -","4","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0817","0.0543","","","0.1219","0.1326","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1516998","20.251","0.001","20.251","0.001","32.903","0.002","90","","90","","120","","11685.8","1.1","233","2","233","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C81 H66 Cl6 Co3 Li2 N6 O7 -","- C81 H60 Cl6 Co3 Li2 N6 O7 -","- C486 H360 Cl36 Co18 Li12 N36 O42 -","6","0.166667","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0568","0.0393","","","0.0902","0.0979","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516999","9.4444","0.0003","22.2615","0.0008","9.9361","0.0002","90","","97.297","0.002","90","","2072.11","0.11","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu N2 O2 -","- C26 H20 Cu N2 O2 -","- C104 H80 Cu4 N8 O8 -","4","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0423","0.0324","","","0.0802","0.0842","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517000","11.2726","0.0004","16.1504","0.0005","11.7431","0.0004","90","","90.669","0.002","90","","2137.77","0.12","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 N2 O2 Zn -","- C26 H20 N2 O2 Zn -","- C104 H80 N8 O8 Zn4 -","4","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0508","0.0385","","","0.0916","0.0975","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517001","24.746","0.0003","8.6601","0.0003","12.2225","0.0004","90","","104.566","0.002","90","","2535.13","0.13","233","2","233","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N2 O2 Zn -","- C34 H24 N2 O2 Zn -","- C136 H96 N8 O8 Zn4 -","4","0.5","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0259","0.0238","","","0.057","0.0579","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517002","10.2774","0.0001","16.3353","0.0002","20.2966","0.0003","90","","92.231","0.001","90","","3404.9","0.07","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Fe N4 -","- C42 H38 Fe N4 -","- C168 H152 Fe4 N16 -","4","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0363","0.031","","","0.0793","0.0818","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517003","20.9121","0.0002","8.2655","0.0003","21.649","0.0003","90","","113.229","0.002","90","","3438.66","0.15","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Co N4 -","- C42 H38 Co N4 -","- C168 H152 Co4 N16 -","4","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0438","0.0347","","","0.0937","0.098","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517004","10.2332","0.0002","16.385","0.0003","20.2217","0.0003","90","","91.977","0.002","90","","3388.57","0.1","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N4 Ni -","- C42 H38 N4 Ni -","- C168 H152 N16 Ni4 -","4","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0362","0.0302","","","0.0734","0.0759","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517005","10.7602","0.0002","11.3696","0.0003","18.8522","0.0003","83.913","0.001","86.422","0.001","65.77","0.001","2090.87","0.08","233","2","233","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H54 N4 Ni -","- C48 H54 N4 Ni -","- C96 H108 N8 Ni2 -","2","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0486","0.0393","","","0.0956","0.1","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517006","21.0026","0.0002","8.0519","0.0001","21.7477","0.0003","90","","113.082","0.001","90","","3383.35","0.07","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H38 Cu N4 -","- C42 H38 Cu N4 -","- C168 H152 Cu4 N16 -","4","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.0396","0.0331","","","0.0922","0.0973","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517007","10.2526","0.0002","22.0749","0.0004","38.2732","0.0007","90","","90","","90","","8662.2","0.3","233","2","233","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H44 Cl2 N4 Zn -","- C51 H44 Cl2 N4 Zn -","- C408 H352 Cl16 N32 Zn8 -","8","1","","Markus Graser; Holger Kopacka; Klaus Wurst; Thomas Muller; Benno Bildstein","Structurally diverse pyridyl or quinolyl enolato/enamido metal complexes of Li, Zr, Fe, Co, Ni, Cu and Zn","Inorganica Chimica Acta","2013","401","","38","49","","","","0.71073","MoKα","","0.053","0.0386","","","0.0877","0.0935","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517008","16.923","0.001","14.041","0.001","21.722","0.001","90","","94.06","0.01","90","","5148.5","0.5","290","2","290","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 Br4 Cu2 N7 O22 Sm -","- C38 H40 Br4 Cu2 N7 O22 Sm -","- C152 H160 Br16 Cu8 N28 O88 Sm4 -","4","0.5","","Beata Cristovao; Barbara Miroslaw","Propeller-like heterotrinuclear CuII-LnIII-CuII compounds - Physicochemical properties","Inorganica Chimica Acta","2013","401","","50","57","","","","0.71073","MoKα","","0.0541","0.0425","","","0.1025","0.1097","","","","","","1.064","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517009","16.858","0.001","14.033","0.001","21.711","0.002","90","","93.64","0.01","90","","5125.8","0.7","290","2","290","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H46 Br4 Cu2 Eu N7 O22 -","- C38 H40 Br4 Cu2 Eu N7 O22 -","- C152 H160 Br16 Cu8 Eu4 N28 O88 -","4","0.5","","Beata Cristovao; Barbara Miroslaw","Propeller-like heterotrinuclear CuII-LnIII-CuII compounds - Physicochemical properties","Inorganica Chimica Acta","2013","401","","50","57","","","","0.71073","MoKα","","0.0819","0.0523","","","0.1104","0.1253","","","","","","1.063","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517010","12.9075","0.0012","25.135","0.002","21.631","0.002","90","","98.584","0.001","90","","6939.1","1.1","296","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H55 Er2 N6 O69 W12 -","- C14 H55 Er2 N6 O69 W12 -","- C56 H220 Er8 N24 O276 W48 -","4","1","","Dan-Dan Liu; Ya-Guang Chen","Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property","Inorganica Chimica Acta","2013","401","","70","75","","","","0.71073","MoKα","","0.0846","0.0474","","","0.1013","0.1145","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517011","16.6502","0.0004","16.6502","0.0004","51.313","0.002","90","","90","","120","","12319.6","0.6","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C21 H51 N6 O84 Tm3 W12 -","- C21 H51 N6 O84 Tm3 W12 -","- C126 H306 N36 O504 Tm18 W72 -","6","0.333333","","Dan-Dan Liu; Ya-Guang Chen","Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property","Inorganica Chimica Acta","2013","401","","70","75","","","","0.71073","MoKα","","0.0636","0.0449","","","0.0866","0.0948","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517012","16.6606","0.0009","16.6606","0.0009","51.316","0.004","90","","90","","120","","12335.7","1.3","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C21 H51 N6 O87 W12 Yb3 -","- C21 H51 N6 O87 W12 Yb3 -","- C126 H306 N36 O522 W72 Yb18 -","6","0.333333","","Dan-Dan Liu; Ya-Guang Chen","Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property","Inorganica Chimica Acta","2013","401","","70","75","","","","0.71073","MoKα","","0.0478","0.0383","","","0.0883","0.0946","","","","","","0.835","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517013","16.6308","0.0008","16.6308","0.0008","51.164","0.005","90","","90","","120","","12255.2","1.5","296","2","296","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C21 H21 Lu3 N6 O80 W12 -","- C21 H21 Lu3 N6 O80 W12 -","- C126 H126 Lu18 N36 O480 W72 -","6","0.333333","","Dan-Dan Liu; Ya-Guang Chen","Coordination polymers of lanthanide elements and metatungstate: Syntheses, structure and magnetic property","Inorganica Chimica Acta","2013","401","","70","75","","","","0.71073","MoKα","","0.0432","0.0352","","","0.0843","0.0974","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517014","10.394","0.0001","15.2446","0.0002","18.0777","0.0002","90","","90","","90","","2864.45","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H50 F2 Ti -","- C32 H50 F2 Ti -","- C128 H200 F8 Ti4 -","4","1","","Vladimir V. Burlakov; Konstantin A. Lyssenko; Anke Spannenberg; Wolfgang Baumann; Perdita Arndt; Vladimir B. Shur; Uwe Rosenthal","Reactivity of functionalised decamethyltitanocenes: Synthesis and structure of chiral monocyclopentadienyl titanium halogenides","Inorganica Chimica Acta","2013","401","","76","80","","","","0.71073","MoKα","","0.034","0.0315","","","0.0837","0.0857","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517015","9.3969","0.001","11.5366","0.0011","11.951","0.002","103.627","0.005","97.146","0.005","112.576","0.005","1128.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H35 Cl3 Ti -","- C22 H35 Cl3 Ti -","- C44 H70 Cl6 Ti2 -","2","1","","Vladimir V. Burlakov; Konstantin A. Lyssenko; Anke Spannenberg; Wolfgang Baumann; Perdita Arndt; Vladimir B. Shur; Uwe Rosenthal","Reactivity of functionalised decamethyltitanocenes: Synthesis and structure of chiral monocyclopentadienyl titanium halogenides","Inorganica Chimica Acta","2013","401","","76","80","","","","0.71073","MoKα","","0.0567","0.0359","","","0.081","0.0921","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517016","19.1258","0.0009","23.0759","0.0012","23.544","0.0012","90","","90","","90","","10391","0.9","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H36 Mn3 N4 O13 S6 -","- C47 H36 Mn3 N4 O13 S6 -","- C376 H288 Mn24 N32 O104 S48 -","8","1","","Reda F.M. Elshaarawy; Yanhua Lan; Christoph Janiak","Oligonuclear homo- and mixed-valence manganese complexes based on thiophene- or aryl-carboxylate ligation: Synthesis, characterization and magnetic studies","Inorganica Chimica Acta","2013","401","","85","94","","","","0.71073","MoKα","","0.1662","0.065","","","0.1385","0.1809","","","","","","0.991","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517017","18.974","0.004","22.931","0.005","23.64","0.005","90","","90","","90","","10286","4","203","2","203","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H33 Mn3 N3 O14 S6 -","- C45 H33 Mn3 N3 O14 S6 -","- C360 H264 Mn24 N24 O112 S48 -","8","1","","Reda F.M. Elshaarawy; Yanhua Lan; Christoph Janiak","Oligonuclear homo- and mixed-valence manganese complexes based on thiophene- or aryl-carboxylate ligation: Synthesis, characterization and magnetic studies","Inorganica Chimica Acta","2013","401","","85","94","","","","0.71073","MoKα","","0.1718","0.1016","","","0.2695","0.3233","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517018","14.723","0.003","20.353","0.004","28.02","0.006","90","","92.77","0.03","90","","8387","3","203","2","203","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H75 Cl2 Mn4 N O23 S10 -","- C69 H75 Cl2 Mn4 N O23 S10 -","- C276 H300 Cl8 Mn16 N4 O92 S40 -","4","1","","Reda F.M. Elshaarawy; Yanhua Lan; Christoph Janiak","Oligonuclear homo- and mixed-valence manganese complexes based on thiophene- or aryl-carboxylate ligation: Synthesis, characterization and magnetic studies","Inorganica Chimica Acta","2013","401","","85","94","","","","0.71073","MoKα","","0.115","0.0721","","","0.1976","0.228","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517019","16.593","0.0013","27.958","0.003","22.7744","0.0017","90","","108.246","0.004","90","","10034","1.5","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H119 Cl2 Mn4 N O20 -","- C98 H119 Cl2 Mn4 N O20 -","- C392 H476 Cl8 Mn16 N4 O80 -","4","1","","Reda F.M. Elshaarawy; Yanhua Lan; Christoph Janiak","Oligonuclear homo- and mixed-valence manganese complexes based on thiophene- or aryl-carboxylate ligation: Synthesis, characterization and magnetic studies","Inorganica Chimica Acta","2013","401","","85","94","","","","0.71073","MoKα","","0.1165","0.055","","","0.1195","0.1418","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517033","8.4667","0.0007","16.5199","0.0008","24.2164","0.0014","90","","90","","90","","3387.1","0.4","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C19.5 H12 Co1.5 N4.5 -","- C19.5 H12 Co1.5 N4.5 -","- C156 H96 Co12 N36 -","8","1","","Bin Yuan; Min Min Yue; Ying Wang; Ju Yan Liu; Bin Ding; Xiao Jun Zhao","Cyano-bridged assemblies induced by positive ions: Hydrothermal syntheses, crystal and powder X-ray structures, and magnetic properties","Inorganica Chimica Acta","2013","402","","1","5","","","","0.71073","MoKα","","0.1036","0.0925","","","0.2456","0.2598","","","","","","1.001","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517034","14.173","0.002","10.1535","0.0013","15.833","0.002","90","","90","","90","","2278.5","0.5","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H8 N4 Ni -","- C12 H8 N4 Ni -","- C96 H64 N32 Ni8 -","8","1","","Bin Yuan; Min Min Yue; Ying Wang; Ju Yan Liu; Bin Ding; Xiao Jun Zhao","Cyano-bridged assemblies induced by positive ions: Hydrothermal syntheses, crystal and powder X-ray structures, and magnetic properties","Inorganica Chimica Acta","2013","402","","1","5","","","","0.71073","MoKα","","0.0452","0.0307","","","0.0759","0.0847","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517035","12.3418","0.0003","12.8106","0.0003","15.3894","0.0004","90","","93.886","0.003","90","","2427.56","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cd N6 O11 -","- C20 H26 Cd N6 O11 -","- C80 H104 Cd4 N24 O44 -","4","1","","Shantanu Hazra; Biswarup Sarkar; Subrata Naiya; Michael G.B. Drew; Ashutosh Ghosh","Structural variations in the complexes of cadmium(II), hexamethylenetetramine, and 2-, 3- and 4-nitrobenzoates","Inorganica Chimica Acta","2013","402","","12","19","","","","0.71073","MoKα","","0.0456","0.0321","","","0.0742","0.0763","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517036","7.8716","0.0019","11.583","0.003","12.6457","0.0015","84.717","0.014","75.307","0.015","85.07","0.02","1108.2","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Cd N12 O18 -","- C40 H46 Cd N12 O18 -","- C40 H46 Cd N12 O18 -","1","0.5","","Shantanu Hazra; Biswarup Sarkar; Subrata Naiya; Michael G.B. Drew; Ashutosh Ghosh","Structural variations in the complexes of cadmium(II), hexamethylenetetramine, and 2-, 3- and 4-nitrobenzoates","Inorganica Chimica Acta","2013","402","","12","19","","","","0.71073","MoKα","","0.0714","0.0614","","","0.1601","0.1823","","","","","","0.915","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517037","23.195","0.01","6.51","0.005","6.894","0.005","90","","90","","90","","1041","1.2","293","2","293","2","","","","","","","","5","C m m 2","C 2 -2","35","","","","- C20 H20 Cd N6 O8 -","- C20 H20 Cd N6 O8 -","- C40 H40 Cd2 N12 O16 -","2","0.25","","Shantanu Hazra; Biswarup Sarkar; Subrata Naiya; Michael G.B. Drew; Ashutosh Ghosh","Structural variations in the complexes of cadmium(II), hexamethylenetetramine, and 2-, 3- and 4-nitrobenzoates","Inorganica Chimica Acta","2013","402","","12","19","","","","0.71073","MoKα","","0.059","0.059","","","0.1384","0.1384","","","","","","1.294","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517038","7.2297","0.0004","12.8247","0.0007","13.4064","0.0008","73.407","0.002","82.355","0.003","81.246","0.002","1172.11","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 Cd N6 O10.5 -","- C20 H25 Cd N6 O10.5 -","- C40 H50 Cd2 N12 O21 -","2","1","","Shantanu Hazra; Biswarup Sarkar; Subrata Naiya; Michael G.B. Drew; Ashutosh Ghosh","Structural variations in the complexes of cadmium(II), hexamethylenetetramine, and 2-, 3- and 4-nitrobenzoates","Inorganica Chimica Acta","2013","402","","12","19","","","","0.71073","MoKα","","0.0618","0.0562","","","0.1846","0.1922","","","","","","1.062","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517039","21.0889","0.0014","13.6528","0.0009","19.9806","0.0014","90","","101.633","0.001","90","","5634.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H74 Co2 N8 O20 -","- C50 H74 Co2 N8 O20 -","- C200 H296 Co8 N32 O80 -","4","1","","Jian Wu; Jian-Qiang Liu","Coexistence of planar tetramer and cyclic octamer water clusters in a polymer: Synthesis, DFT study and magnetism","Inorganica Chimica Acta","2013","402","","20","24","","","","0.71073","MoKα","","0.0918","0.0605","","","0.1565","0.1792","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517040","8.9744","0.0007","13.352","0.001","15.3503","0.0011","90","","92.545","0.001","90","","1837.6","0.2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H20 N4 O5 Zn -","- C16 H20 N4 O5 Zn -","- C64 H80 N16 O20 Zn4 -","4","2","","Rui-Li Zhao; Ke-Fen Yue; Chun-sheng Zhou; Qiao-De-Mei Cheng; Jing-Tao Shi; Yong-Liang Liu; Yao-Yu Wang","A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane","Inorganica Chimica Acta","2013","402","","25","32","","","","0.71073","MoKα","","0.0474","0.0373","","","0.0912","0.095","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517041","15.91","0.005","8.949","0.003","13.459","0.004","90","","90","","90","","1916.3","1","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H22 N4 O5 Zn -","- C16 H22 N4 O5 Zn -","- C64 H88 N16 O20 Zn4 -","4","1","","Rui-Li Zhao; Ke-Fen Yue; Chun-sheng Zhou; Qiao-De-Mei Cheng; Jing-Tao Shi; Yong-Liang Liu; Yao-Yu Wang","A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane","Inorganica Chimica Acta","2013","402","","25","32","","","","0.71073","MoKα","","0.0432","0.0399","","","0.1079","0.1108","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517042","9.47","0.0013","8.8874","0.0012","11.3366","0.0015","90","","94.809","0.002","90","","950.8","0.2","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C17 H24 N4 O5 Zn -","- C17 H24 N4 O5 Zn -","- C34 H48 N8 O10 Zn2 -","2","1","","Rui-Li Zhao; Ke-Fen Yue; Chun-sheng Zhou; Qiao-De-Mei Cheng; Jing-Tao Shi; Yong-Liang Liu; Yao-Yu Wang","A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane","Inorganica Chimica Acta","2013","402","","25","32","","","","0.71073","MoKα","","0.0518","0.0447","","","0.1204","0.1289","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517043","8.7076","0.0014","15.686","0.003","19.368","0.003","90","","90","","90","","2645.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N6 O6 Zn -","- C24 H24 N6 O6 Zn -","- C96 H96 N24 O24 Zn4 -","4","1","","Rui-Li Zhao; Ke-Fen Yue; Chun-sheng Zhou; Qiao-De-Mei Cheng; Jing-Tao Shi; Yong-Liang Liu; Yao-Yu Wang","A study of zinc(II) coordination polymers with identical meso-helix based on 1,4-bis(2-methyl-imidazol-1-yl)butane","Inorganica Chimica Acta","2013","402","","25","32","","","","0.71073","MoKα","","0.0857","0.0646","","","0.173","0.1975","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517044","16.3271","0.0003","16.3271","0.0003","16.1084","0.0008","90","","90","","90","","4294.1","0.2","296","2","296","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Hydroxonium Tetrakis(3-methyl-1-phenyl-4-formylpyrazole-5-onato)europium(III)ate","","- C44 H41 Eu N8 O10 -","- C44 H36 Eu N8 O10 -","- C176 H144 Eu4 N32 O40 -","4","0.25","","Victor F. Shul-gin; Oleg V. Konnik; Susana V. Abkhairova; Alexey N. Gusev; Svetlana B. Meshkova; Anna V. Kiriyak; Eduard B. Rusanov; Miki Hasegawa; Wolfgang Linert","Anionic lanthanide complexes with 3-methyl-1-phenyl-4-formylpyrazole-5-one and hydroxonium as counter ion","Inorganica Chimica Acta","2013","402","","33","38","","","","0.71073","MoKα","","0.0783","0.0452","","","0.0992","0.1136","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517045","16.2701","0.0004","16.2701","0.0004","16.1315","0.0006","90","","90","","90","","4270.3","0.2","296","2","296","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","Hydroxonium Tetrakis(3-methyl-1-phenyl-4-formylpyrazole-5-onato)samarium(III)ate","","- C44 H41 N8 O10 Sm -","- C44 H36 N8 O10 Sm -","- C176 H144 N32 O40 Sm4 -","4","0.25","","Victor F. Shul-gin; Oleg V. Konnik; Susana V. Abkhairova; Alexey N. Gusev; Svetlana B. Meshkova; Anna V. Kiriyak; Eduard B. Rusanov; Miki Hasegawa; Wolfgang Linert","Anionic lanthanide complexes with 3-methyl-1-phenyl-4-formylpyrazole-5-one and hydroxonium as counter ion","Inorganica Chimica Acta","2013","402","","33","38","","","","0.71073","MoKα","","0.0857","0.0488","","","0.1147","0.1317","","","","","","1.078","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517046","10.4155","0.0016","20.113","0.003","19.323","0.003","90","","104.032","0.003","90","","3927.1","1","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Cu2 N2 O9 -","- C44 H38 Cu2 N2 O9 -","- C176 H152 Cu8 N8 O36 -","4","1","","In Hong Hwang; Young Dan Jo; Hyun Kim; Kyeong Beom Kim; Kwang-Deog Jung; Cheal Kim; Youngmee Kim; Sung-Jin Kim","Catalytic transesterification reactions of one-dimensional coordination polymers containing paddle-wheel-type units connected by various bridging ligands","Inorganica Chimica Acta","2013","402","","39","45","","","","0.71073","MoKα","","0.0726","0.042","","","0.1141","0.1298","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517047","9.8178","0.001","10.774","0.0011","14.9306","0.0015","79.685","0.002","81.615","0.002","78.697","0.002","1513.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H58 Cu3 N4 O12 -","- C68 H58 Cu3 N4 O12 -","- C68 H58 Cu3 N4 O12 -","1","0.5","","In Hong Hwang; Young Dan Jo; Hyun Kim; Kyeong Beom Kim; Kwang-Deog Jung; Cheal Kim; Youngmee Kim; Sung-Jin Kim","Catalytic transesterification reactions of one-dimensional coordination polymers containing paddle-wheel-type units connected by various bridging ligands","Inorganica Chimica Acta","2013","402","","39","45","","","","0.71073","MoKα","","0.1016","0.056","","","0.1298","0.1445","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517048","10.299","0.006","10.846","0.006","16.531","0.009","75.827","0.01","86.068","0.01","88.446","0.009","1786","1.7","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 Cu2 N3 O8 -","- C40 H33 Cu2 N3 O8 -","- C80 H66 Cu4 N6 O16 -","2","1","","In Hong Hwang; Young Dan Jo; Hyun Kim; Kyeong Beom Kim; Kwang-Deog Jung; Cheal Kim; Youngmee Kim; Sung-Jin Kim","Catalytic transesterification reactions of one-dimensional coordination polymers containing paddle-wheel-type units connected by various bridging ligands","Inorganica Chimica Acta","2013","402","","39","45","","","","0.71073","MoKα","","0.1633","0.0609","","","0.1221","0.144","","","","","","0.759","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517049","11.104","0.002","9.78","0.002","18.453","0.004","90","","97.12","0.03","90","","1988.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Cu2 N2 O12 -","- C34 H28 Cu2 N2 O12 -","- C68 H56 Cu4 N4 O24 -","2","0.5","","In Hong Hwang; Young Dan Jo; Hyun Kim; Kyeong Beom Kim; Kwang-Deog Jung; Cheal Kim; Youngmee Kim; Sung-Jin Kim","Catalytic transesterification reactions of one-dimensional coordination polymers containing paddle-wheel-type units connected by various bridging ligands","Inorganica Chimica Acta","2013","402","","39","45","","","","0.71073","MoKα","","0.1279","0.0733","","","0.1722","0.2031","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517050","9.744","0.0019","10.039","0.002","10.74","0.002","89.94","0.03","83.54","0.03","62.3","0.03","922.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cl4 Cu2 N2 O8 -","- C34 H28 Cl4 Cu2 N2 O8 -","- C34 H28 Cl4 Cu2 N2 O8 -","1","0.5","","In Hong Hwang; Young Dan Jo; Hyun Kim; Kyeong Beom Kim; Kwang-Deog Jung; Cheal Kim; Youngmee Kim; Sung-Jin Kim","Catalytic transesterification reactions of one-dimensional coordination polymers containing paddle-wheel-type units connected by various bridging ligands","Inorganica Chimica Acta","2013","402","","39","45","","","","0.71073","MoKα","","0.0708","0.0499","","","0.1208","0.1281","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517051","10.4041","0.0015","14.67","0.002","12.4281","0.0019","90","","103.314","0.002","90","","1845.9","0.5","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Mn N2 O6 P2 -","- C18 H18 Mn N2 O6 P2 -","- C72 H72 Mn4 N8 O24 P8 -","4","1","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.0219","0.0212","","","0.0604","0.0611","","","","","","0.901","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517052","18.2825","0.0011","25.5632","0.0016","8.5534","0.0005","90","","96.522","0.001","90","","3971.6","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 Co N4 O12 P4 -","- C40 H38 Co N4 O12 P4 -","- C160 H152 Co4 N16 O48 P16 -","4","0.5","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.0357","0.0288","","","0.0741","0.0775","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517053","10.1252","0.0009","10.7137","0.001","15.4619","0.0014","72.627","0.001","72.563","0.001","76.693","0.001","1508.9","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Co N6 O6 P2 -","- C32 H26 Co N6 O6 P2 -","- C64 H52 Co2 N12 O12 P4 -","2","1","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.0502","0.0354","","","0.0833","0.1031","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517054","7.6024","0.0008","10.8033","0.0011","10.8232","0.0011","95.76","0.002","94.041","0.002","92.794","0.002","880.84","0.16","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 N2 Ni O6 P2 -","- C18 H18 N2 Ni O6 P2 -","- C36 H36 N4 Ni2 O12 P4 -","2","1","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.0208","0.0199","","","0.0545","0.0552","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517055","7.538","0.0018","10.783","0.003","11.934","0.003","82.441","0.006","88.115","0.006","85.638","0.006","958.6","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 N2 Ni O6 P2 -","- C20 H18 N2 Ni O6 P2 -","- C40 H36 N4 Ni2 O12 P4 -","2","1","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.0439","0.0435","","","0.124","0.1242","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517056","18.2692","0.0016","25.477","0.002","8.5637","0.0008","90","","96.733","0.002","90","","3958.4","0.6","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N4 Ni O12 P4 -","- C40 H38 N4 Ni O12 P4 -","- C160 H152 N16 Ni4 O48 P16 -","4","0.5","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.0303","0.0263","","","0.0742","0.0765","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517057","10.0453","0.0009","10.7094","0.001","15.4596","0.0014","72.132","0.001","72.796","0.001","76.961","0.001","1495.4","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 N6 Ni O6 P2 -","- C32 H26 N6 Ni O6 P2 -","- C64 H52 N12 Ni2 O12 P4 -","2","1","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.0392","0.0299","","","0.071","0.0758","","","","","","0.889","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517058","10.8732","0.0005","11.0085","0.0005","11.2619","0.0005","63.681","0.002","66.155","0.002","72.92","0.002","1094.32","0.09","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 N3 Ni O8 P2 -","- C20 H22 N3 Ni O8 P2 -","- C40 H44 N6 Ni2 O16 P4 -","2","1","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.0309","0.0305","","","0.0893","0.0896","","","","","","0.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517059","7.6596","0.0014","10.843","0.002","11.025","0.002","96.309","0.004","91.689","0.004","94.815","0.004","906.2","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Mn N2 O6 P2 -","- C18 H18 Mn N2 O6 P2 -","- C36 H36 Mn2 N4 O12 P4 -","2","1","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.0521","0.0349","","","0.0782","0.0839","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517060","18.035","0.003","24.643","0.004","8.766","0.0013","90","","102.609","0.002","90","","3802","1","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Mn N4 O12 P4 -","- C36 H38 Mn N4 O12 P4 -","- C144 H152 Mn4 N16 O48 P16 -","4","0.5","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.03","0.0261","","","0.0696","0.0729","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517061","10.5123","0.0007","14.6743","0.0009","12.6219","0.0008","90","","104.601","0.001","90","","1884.2","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Mn N2 O6 P2 -","- C20 H18 Mn N2 O6 P2 -","- C80 H72 Mn4 N8 O24 P8 -","4","1","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.032","0.0253","","","0.0895","0.0982","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517062","10.8871","0.0011","23.673","0.003","7.6062","0.0008","90","","95.014","0.002","90","","1952.8","0.4","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Mn N2 O6 P2 -","- C20 H18 Mn N2 O6 P2 -","- C80 H72 Mn4 N8 O24 P8 -","4","1","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.038","0.0287","","","0.0728","0.0777","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517063","7.6118","0.0004","10.8203","0.0006","10.861","0.0006","95.957","0.001","92.407","0.001","94.21","0.001","886.19","0.08","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Co N2 O6 P2 -","- C18 H18 Co N2 O6 P2 -","- C36 H36 Co2 N4 O12 P4 -","2","1","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.0201","0.0199","","","0.0531","0.0533","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517064","10.3139","0.0008","14.5501","0.0011","12.67","0.0009","90","","104.161","0.002","90","","1843.6","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Co N2 O6 P2 -","- C20 H18 Co N2 O6 P2 -","- C80 H72 Co4 N8 O24 P8 -","4","1","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.0369","0.027","","","0.0659","0.0708","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517065","10.8283","0.0008","23.3785","0.0018","7.5532","0.0006","90","","94.518","0.002","90","","1906.1","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Co N2 O6 P2 -","- C20 H18 Co N2 O6 P2 -","- C80 H72 Co4 N8 O24 P8 -","4","1","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.0424","0.04","","","0.1071","0.1087","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517066","21.099","0.002","12.0022","0.0012","7.5739","0.0008","90","","98.077","0.001","90","","1898.9","0.3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Co N2 O6 P2 -","- C20 H18 Co N2 O6 P2 -","- C80 H72 Co4 N8 O24 P8 -","4","0.5","","Tiffany M. Smith; Diona Symester; Kathryn Perrin; Jose Vargas; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Hydrothermal syntheses and structural chemistry of Mn(II), Co(II) and Ni(II) coordination polymers with xylyl-diphosphonate ligands","Inorganica Chimica Acta","2013","402","","46","59","","","","0.71073","MoKα","","0.0274","0.025","","","0.0659","0.0681","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517067","12.686","0.005","14.444","0.005","14.594","0.005","109.839","0.005","106.925","0.005","96.214","0.005","2341.9","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H28 Cd3 Mo6 N12 O36 P4 -","- C14 H28 Cd3 Mo6 N12 O36 P4 -","- C28 H56 Cd6 Mo12 N24 O72 P8 -","2","1","","Xiu-Li Wang; Jing-Jing Cao; Guo-Cheng Liu; Hong-Yan Lin; Ai-Xiang Tian","Ligands directed versatile cadmium-bis(triazole) metal-organic fragments to generate three new two dimensional complexes based on polymolybdenum phosphate","Inorganica Chimica Acta","2013","402","","6","11","","","","0.71069","MoKα","","0.0329","0.0293","","","0.0796","0.0814","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517068","12.836","0.005","14.502","0.005","14.953","0.005","104.155","0.005","102.83","0.005","108.371","0.005","2422.3","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H60 Cd5 Mo12 N24 O72 P8 -","- C32 H60 Cd5 Mo12 N24 O72 P8 -","- C32 H60 Cd5 Mo12 N24 O72 P8 -","1","0.5","","Xiu-Li Wang; Jing-Jing Cao; Guo-Cheng Liu; Hong-Yan Lin; Ai-Xiang Tian","Ligands directed versatile cadmium-bis(triazole) metal-organic fragments to generate three new two dimensional complexes based on polymolybdenum phosphate","Inorganica Chimica Acta","2013","402","","6","11","","","","0.71069","MoKα","","0.0509","0.0422","","","0.1203","0.1249","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517069","14.3639","0.001","14.9311","0.001","14.949","0.001","114.38","0.001","111.444","0.001","92.437","0.001","2646.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H76 Cd5 Mo12 N24 O72 P8 -","- C40 H76 Cd5 Mo12 N24 O72 P8 -","- C40 H76 Cd5 Mo12 N24 O72 P8 -","1","0.5","","Xiu-Li Wang; Jing-Jing Cao; Guo-Cheng Liu; Hong-Yan Lin; Ai-Xiang Tian","Ligands directed versatile cadmium-bis(triazole) metal-organic fragments to generate three new two dimensional complexes based on polymolybdenum phosphate","Inorganica Chimica Acta","2013","402","","6","11","","","","0.71073","MoKα","","0.0403","0.0349","","","0.0939","0.0964","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517104","19.1485","0.0018","16.4725","0.001","24.797","0.002","90","","101.162","0.011","90","","7673.6","1.1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H106 Fe4 N10 O23 Y2 -","- C56 H106 Fe4 N10 O23 Y2 -","- C224 H424 Fe16 N40 O92 Y8 -","4","1","","Mereacre, Valeriu; Klöwer, Frederik; Lan, Yanhua; Clérac, Rodolphe; Wolny, Juliusz A.; Schünemann, Volker; Anson, Christopher E.; Powell, Annie K.","Spin relaxation in antiferromagnetic Fe-Fe dimers slowed down by anisotropic Dy(III) ions.","Beilstein journal of nanotechnology","2013","4","","807","814","10.3762/bjnano.4.92","","","0.71073","MoKα","","0.0619","0.0416","","","0.0986","0.1073","","","","","","0.986","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517105","13.9237","0.0006","14.5196","0.0007","25.1289","0.001","82.856","0.003","79.71","0.003","65.545","0.003","4542.9","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H133 Dy2 Fe4 N13 O22 -","- C68 H130 Dy2 Fe4 N13 O22 -","- C136 H260 Dy4 Fe8 N26 O44 -","2","1","","Mereacre, Valeriu; Klöwer, Frederik; Lan, Yanhua; Clérac, Rodolphe; Wolny, Juliusz A.; Schünemann, Volker; Anson, Christopher E.; Powell, Annie K.","Spin relaxation in antiferromagnetic Fe-Fe dimers slowed down by anisotropic Dy(III) ions.","Beilstein journal of nanotechnology","2013","4","","807","814","10.3762/bjnano.4.92","","","0.71073","MoKα","","0.0543","0.0449","","","0.1161","0.1201","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517121","9.4189","0.0007","26.248","0.002","11.4511","0.0009","90","","95.618","0.001","90","","2817.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Co5 N18 O18 P6 -","- C48 H38 Co5 N18 O18 P6 -","- C96 H76 Co10 N36 O36 P12 -","2","0.5","","Fupeng Zhai; Mingli Deng; Yun Ling; Zhenxia Chen; Linhong Weng; Yaming Zhou","Syntheses, structures and magnetic properties of two isostructural metal-phosphonate frameworks","Inorganica Chimica Acta","2013","402","","104","108","","","","0.71073","MoKα","","0.0367","0.033","","","0.0916","0.1055","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517122","9.565","0.004","26.466","0.01","11.532","0.004","90","","93.474","0.004","90","","2913.9","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H38 Mn5 N18 O18 P6 -","- C48 H38 Mn5 N18 O18 P6 -","- C96 H76 Mn10 N36 O36 P12 -","2","0.5","","Fupeng Zhai; Mingli Deng; Yun Ling; Zhenxia Chen; Linhong Weng; Yaming Zhou","Syntheses, structures and magnetic properties of two isostructural metal-phosphonate frameworks","Inorganica Chimica Acta","2013","402","","104","108","","","","0.71073","MoKα","","0.0373","0.0319","","","0.0815","0.0836","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517123","27.467","0.0002","6.4942","0.0005","13.3931","0.0003","90","","117.383","0.005","90","","2121.3","0.2","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl2 O4 V -","- C24 H18 Cl2 O4 V -","- C96 H72 Cl8 O16 V4 -","4","0.5","","Iva Klepalova; Jan Honzicek; Jaromir Vinklarek; Zdenka Padelkova; Lucie Sebestova; Martina Rezacova","Vanadocene and niobocene dihalides containing electron-withdrawing substituents in the cyclopentadienyl rings: Synthesis, characterization and cytotoxicity","Inorganica Chimica Acta","2013","402","","109","115","","","","0.71073","MoKα","","0.123","0.0631","","","0.0851","0.1024","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517124","10.841","0.0006","6.875","0.0002","12.0651","0.0006","90","","98.538","0.005","90","","889.27","0.07","150","1","150","1","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C15 H16 Br2 Cl2 O4 V -","- C15 H16 Br2 Cl2 O4 V -","- C30 H32 Br4 Cl4 O8 V2 -","2","0.5","","Iva Klepalova; Jan Honzicek; Jaromir Vinklarek; Zdenka Padelkova; Lucie Sebestova; Martina Rezacova","Vanadocene and niobocene dihalides containing electron-withdrawing substituents in the cyclopentadienyl rings: Synthesis, characterization and cytotoxicity","Inorganica Chimica Acta","2013","402","","109","115","","","","0.71073","MoKα","","0.0369","0.03","","","0.0698","0.0736","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517125","6.557","0.0005","30.1549","0.0016","11.261","0.0012","90","","105.304","0.007","90","","2147.6","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl2 Nb O4 -","- C24 H18 Cl2 Nb O4 -","- C96 H72 Cl8 Nb4 O16 -","4","1","","Iva Klepalova; Jan Honzicek; Jaromir Vinklarek; Zdenka Padelkova; Lucie Sebestova; Martina Rezacova","Vanadocene and niobocene dihalides containing electron-withdrawing substituents in the cyclopentadienyl rings: Synthesis, characterization and cytotoxicity","Inorganica Chimica Acta","2013","402","","109","115","","","","0.71073","MoKα","","0.0684","0.0517","","","0.1097","0.118","","","","","","1.17","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517126","20.0123","0.0005","7.254","0.0003","14.4631","0.0003","90","","133.24","0.002","90","","1529.54","0.09","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br2 Nb O4 -","- C14 H14 Br2 Nb O4 -","- C56 H56 Br8 Nb4 O16 -","4","0.5","","Iva Klepalova; Jan Honzicek; Jaromir Vinklarek; Zdenka Padelkova; Lucie Sebestova; Martina Rezacova","Vanadocene and niobocene dihalides containing electron-withdrawing substituents in the cyclopentadienyl rings: Synthesis, characterization and cytotoxicity","Inorganica Chimica Acta","2013","402","","109","115","","","","0.71073","MoKα","","0.0318","0.0267","","","0.0614","0.065","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517127","11.8","0.0005","6.913","0.0007","20.7381","0.0008","90","","90","","90","","1691.7","0.2","150","1","150","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H18 Br2 Nb O4 -","- C16 H18 Br2 Nb O4 -","- C64 H72 Br8 Nb4 O16 -","4","0.5","","Iva Klepalova; Jan Honzicek; Jaromir Vinklarek; Zdenka Padelkova; Lucie Sebestova; Martina Rezacova","Vanadocene and niobocene dihalides containing electron-withdrawing substituents in the cyclopentadienyl rings: Synthesis, characterization and cytotoxicity","Inorganica Chimica Acta","2013","402","","109","115","","","","0.71073","MoKα","","0.0426","0.031","","","0.0635","0.069","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517128","6.888","0.0003","12.1511","0.0008","12.551","0.0006","90","","90","","90","","1050.48","0.1","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Br2 V -","- C10 H10 Br2 V -","- C40 H40 Br8 V4 -","4","1","","Iva Klepalova; Jan Honzicek; Jaromir Vinklarek; Zdenka Padelkova; Lucie Sebestova; Martina Rezacova","Vanadocene and niobocene dihalides containing electron-withdrawing substituents in the cyclopentadienyl rings: Synthesis, characterization and cytotoxicity","Inorganica Chimica Acta","2013","402","","109","115","","","","0.71073","MoKα","","0.0531","0.0422","","","0.1019","0.1109","","","","","","1.148","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517129","15.795","0.003","23.522","0.004","21.226","0.004","90","","100.155","0.013","90","","7763","2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C40 H44 Cu4 N8 O46 Si W12 -","- C40 H32 Cu4 N8 O46 Si W12 -","- C160 H128 Cu16 N32 O184 Si4 W48 -","4","0.5","","Shu-Yun Shi; Zhan-Lin Xu; Hong-Hui Teng; Ling-Zi Zhao; Xiao-Bing Cui; Ji-Qing Xu","Two new compounds constructed from polyoxoanions, metal ions and organic ligands","Inorganica Chimica Acta","2013","402","","123","127","","","","0.71073","MoKα","","0.0624","0.0483","","","0.1205","0.1279","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517130","10.8645","0.0009","11.8169","0.0012","13.3176","0.001","105.386","0.006","102.406","0.005","115.66","0.004","1374.8","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H26 Cu2 Mo12 N6 O40 Si -","- C30 H24 Cu2 Mo12 N6 O40 Si -","- C30 H24 Cu2 Mo12 N6 O40 Si -","1","0.5","","Shu-Yun Shi; Zhan-Lin Xu; Hong-Hui Teng; Ling-Zi Zhao; Xiao-Bing Cui; Ji-Qing Xu","Two new compounds constructed from polyoxoanions, metal ions and organic ligands","Inorganica Chimica Acta","2013","402","","123","127","","","","0.71073","MoKα","","0.0866","0.0691","","","0.1749","0.1881","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517131","15.6","0.003","9.6539","0.0019","20.651","0.008","90","","112.25","0.02","90","","2878.5","1.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C60 H58 Co N14 O8 -","- C60 H58 Co N14 O8 -","- C120 H116 Co2 N28 O16 -","2","0.5","","Guang-Feng Hou; Bo Wen; Ying-Hui Yu; Jin-Sheng Gao; Xiao-Dan Wang; Peng-Fei Yan","Two novel 2-fold interpenetration frameworks constructed by 4,4'-bis(1H-imidazol-1-yl-methyl)biphenyl cobalt(II) coordination polymer and the effect of dicarboxylic acid","Inorganica Chimica Acta","2013","402","","128","132","","","","0.71073","MoKα","","0.065","0.0443","","","0.136","0.1505","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517132","19.904","0.003","19.904","0.003","26.18","0.005","90","","90","","90","","10372","3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C28 H24 Co N4 O5 -","- C28 H24 Co N4 O5 -","- C448 H384 Co16 N64 O80 -","16","1","","Guang-Feng Hou; Bo Wen; Ying-Hui Yu; Jin-Sheng Gao; Xiao-Dan Wang; Peng-Fei Yan","Two novel 2-fold interpenetration frameworks constructed by 4,4'-bis(1H-imidazol-1-yl-methyl)biphenyl cobalt(II) coordination polymer and the effect of dicarboxylic acid","Inorganica Chimica Acta","2013","402","","128","132","","","","0.71073","MoKα","","0.085","0.0495","","","0.1044","0.1167","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517133","9.975","0.0008","9.999","0.0005","11.136","0.0003","92.579","0.002","102.078","0.005","99.957","0.003","1065.95","0.11","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C25 H21 F Fe N2 O Se -","- C25 H21 F Fe N2 O Se -","- C50 H42 F2 Fe2 N4 O2 Se2 -","2","1","","Raja Azadar Hussain; Amin Badshash; Manzar Sohail; Bhajan Lal; Ataf Ali Altaf","Synthesis, chemical characterization, DNA interaction and antioxidant studies of ortho, meta and para fluoro substituted ferrocene incorporated selenoureas","Inorganica Chimica Acta","2013","402","","133","139","","","x-ray","0.71073","synchrotron","","0.0562","0.0385","","","0.0954","0.1176","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517134","11.4507","0.0009","15.4651","0.0013","28.495","0.002","90","","90","","90","","5046.1","0.7","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H52 N2 O6 Ti -","- C65 H52 N2 O6 Ti -","- C260 H208 N8 O24 Ti4 -","4","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71073","MoKα","","0.0584","0.0451","","","0.0947","0.1014","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517135","11.732","0.003","20.372","0.005","13.555","0.003","90","","95.244","0.003","90","","3226.1","1.3","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H39 N O4 Ti -","- C37 H39 N O4 Ti -","- C148 H156 N4 O16 Ti4 -","4","2","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71075","MoKα","","0.0477","0.041","","","0.0857","0.0883","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517136","13.487","0.0012","18.25","0.0016","26.636","0.002","90","","90","","90","","6556.1","1","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H50 N2 O4 Ti -","- C62 H50 N2 O4 Ti -","- C248 H200 N8 O16 Ti4 -","4","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71075","MoKα","","0.0518","0.0484","","","0.1413","0.1452","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517137","10.021","0.002","10.7958","0.0016","34.202","0.005","90","","90","","90","","3700.1","1.1","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H55 N O4 Ti -","- C41 H55 N O4 Ti -","- C164 H220 N4 O16 Ti4 -","4","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","1.54187","CuKα","","0.0323","0.0298","","","0.07","0.0709","","","","","","1.003","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517138","25.6435","0.0006","25.6435","0.0006","14.3257","0.0007","90","","90","","120","","8158.3","0.5","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C58 H48 N4 O4 Ti -","- C58 H48 N4 O4 Ti -","- C348 H288 N24 O24 Ti6 -","6","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71073","MoKα","","0.0831","0.0622","","","0.1714","0.1882","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517139","14.426","0.004","17.398","0.004","34.21","0.008","90","","90","","90","","8586","4","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C81 H58 N6 O4 Ti -","- C81 H58 N6 O4 Ti -","- C324 H232 N24 O16 Ti4 -","4","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71075","MoKα","","0.0983","0.0693","","","0.1448","0.1566","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517140","18.434","0.003","18.468","0.003","24.873","0.004","90","","90","","90","","8468","2","110","2","110","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C48 H52 N2 O4 Ti -","- C48 H52 N2 O4 Ti -","- C384 H416 N16 O32 Ti8 -","8","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71073","MoKα","","0.0307","0.0292","","","0.0644","0.065","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517141","13.2719","0.0012","18.6748","0.0017","15.4381","0.0015","90","","107.912","0.002","90","","3640.9","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H89 N3 O8 Ti2 -","- C87 H89 N3 O8 Ti2 -","- C174 H178 N6 O16 Ti4 -","2","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71073","MoKα","","0.0672","0.055","","","0.1243","0.133","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517142","12.96","0.0012","12.0807","0.001","19.156","0.0016","90","","91.357","0.002","90","","2998.3","0.4","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C69 H65 N3 O8 Ti2 -","- C69 H65 N3 O8 Ti2 -","- C138 H130 N6 O16 Ti4 -","2","1","","Liang Chen; Ning Zhao; Qiuwen Wang; Guohua Hou; Haibin Song; Guofu Zi","Synthesis, structure, and catalytic activity of titanium complexes with chiral biaryl Schiff-base ligands","Inorganica Chimica Acta","2013","402","","140","155","","","","0.71073","MoKα","","0.0938","0.0641","","","0.1168","0.1317","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517143","13.0252","0.0017","15.2017","0.0018","18.319","0.0019","99.769","0.001","103.054","0.002","115.193","0.002","3048.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 Eu N7 O20 S4 -","- C56 H60 Eu N7 O20 S4 -","- C112 H120 Eu2 N14 O40 S8 -","2","1","","Xue-Qin Song; Li Wang; Meng-Meng Zhao; Guo-Quang Cheng; Xiao-Run Wang; Yun-Qiao Peng","Synthesis, crystal structure and luminescence properties of homodinuclear lanthanide complexes with a new tetrapodal thenylsalicylamide ligand","Inorganica Chimica Acta","2013","402","","156","164","","","","0.71073","MoKα","","0.0664","0.0535","","","0.1477","0.1613","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517144","13.0234","0.0014","15.195","0.0015","18.3246","0.0019","99.733","0.002","103.073","0.002","115.144","0.003","3049.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H120 Gd2 N14 O40 S8 -","- C112 H120 Gd2 N14 O40 S8 -","- C112 H120 Gd2 N14 O40 S8 -","1","0.5","","Xue-Qin Song; Li Wang; Meng-Meng Zhao; Guo-Quang Cheng; Xiao-Run Wang; Yun-Qiao Peng","Synthesis, crystal structure and luminescence properties of homodinuclear lanthanide complexes with a new tetrapodal thenylsalicylamide ligand","Inorganica Chimica Acta","2013","402","","156","164","","","","0.71073","MoKα","","0.0967","0.0639","","","0.1493","0.1699","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517145","12.93","0.002","15.335","0.004","18.136","0.005","68.794","0.005","76.09","0.004","65.126","0.003","3024.9","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H116 N14 Nd2 O40 S8 -","- C110 H116 N14 Nd2 O40 S8 -","- C110 H116 N14 Nd2 O40 S8 -","1","0.5","","Xue-Qin Song; Li Wang; Meng-Meng Zhao; Guo-Quang Cheng; Xiao-Run Wang; Yun-Qiao Peng","Synthesis, crystal structure and luminescence properties of homodinuclear lanthanide complexes with a new tetrapodal thenylsalicylamide ligand","Inorganica Chimica Acta","2013","402","","156","164","","","","0.71073","MoKα","","0.0624","0.054","","","0.1543","0.1652","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517146","13.0091","0.0014","15.2063","0.0016","18.295","0.003","99.79","0.003","103.072","0.003","115.19","0.002","3041","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H116 N14 O40 S8 Sm2 -","- C112 H116 N14 O40 S8 Sm2 -","- C112 H116 N14 O40 S8 Sm2 -","1","0.5","","Xue-Qin Song; Li Wang; Meng-Meng Zhao; Guo-Quang Cheng; Xiao-Run Wang; Yun-Qiao Peng","Synthesis, crystal structure and luminescence properties of homodinuclear lanthanide complexes with a new tetrapodal thenylsalicylamide ligand","Inorganica Chimica Acta","2013","402","","156","164","","","","0.71073","MoKα","","0.0735","0.0546","","","0.1391","0.1518","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517147","13.0156","0.0009","15.1935","0.001","18.3354","0.0019","99.67","0.002","103.178","0.002","115.173","0.001","3047.3","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H120 N14 O40 S8 Tb2 -","- C112 H120 N14 O40 S8 Tb2 -","- C112 H120 N14 O40 S8 Tb2 -","1","0.5","","Xue-Qin Song; Li Wang; Meng-Meng Zhao; Guo-Quang Cheng; Xiao-Run Wang; Yun-Qiao Peng","Synthesis, crystal structure and luminescence properties of homodinuclear lanthanide complexes with a new tetrapodal thenylsalicylamide ligand","Inorganica Chimica Acta","2013","402","","156","164","","","","0.71073","MoKα","","0.063","0.0513","","","0.1321","0.1418","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517148","14.797","","18.235","","14.396","","90","","117.27","","90","","3452.66","","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Co N3 O7 -","- C18 H14 Co N3 O7 -","- C144 H112 Co8 N24 O56 -","8","1","","Filipe B. de Almeida; Flavia H. e Silva; Maria Irene Yoshida; Heitor A. de Abreu; Renata Diniz","An interpenetrated 2D coordination polymer: A candidate for gas adsorption of small molecules","Inorganica Chimica Acta","2013","402","","60","68","","","","0.71073","MoKα","","0.1138","0.0555","","","0.14","0.1669","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517149","7.992","0.003","8.493","0.003","10.489","0.004","84.691","0.005","71.313","0.005","72.822","0.005","644.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 N6 O6 Pd S2 -","- C24 H20 N6 O6 Pd S2 -","- C24 H20 N6 O6 Pd S2 -","1","0.5","","Subhi A. Al-Jibori; Qusay K.A. Al-Jibori; Harry Schmidt; Kurt Merzweiler; Christoph Wagner; Graeme Hogarth","Palladium(II) saccharinate (sac) and thiosaccharinate (tsac) complexes with 2-aminopyridine (2-ampy), 2-acetylaminopyridine (2-aampy) and 2-acetylaminopyrimidine (2-aampym) co-ligands: X-ray crystal structures of trans-[Pd(sac)2(ampy)2] and solvatomorphs trans-[Pd(sac)2(2-aampy)2].S (S = CHCl3, thf)","Inorganica Chimica Acta","2013","402","","69","74","","","","0.71073","MoKα","","0.0729","0.0599","","","0.1571","0.1652","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517150","11.3994","0.0004","24.8507","0.0008","12.8085","0.0005","90","","111.332","0.003","90","","3379.8","0.2","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cl3 N6 O8 Pd S2 -","- C29 H25 Cl3 N6 O8 Pd S2 -","- C116 H100 Cl12 N24 O32 Pd4 S8 -","4","1","","Subhi A. Al-Jibori; Qusay K.A. Al-Jibori; Harry Schmidt; Kurt Merzweiler; Christoph Wagner; Graeme Hogarth","Palladium(II) saccharinate (sac) and thiosaccharinate (tsac) complexes with 2-aminopyridine (2-ampy), 2-acetylaminopyridine (2-aampy) and 2-acetylaminopyrimidine (2-aampym) co-ligands: X-ray crystal structures of trans-[Pd(sac)2(ampy)2] and solvatomorphs trans-[Pd(sac)2(2-aampy)2].S (S = CHCl3, thf)","Inorganica Chimica Acta","2013","402","","69","74","","","","0.71073","MoKα","","0.0573","0.0384","","","0.0886","0.0931","","","","","","0.894","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517151","11.2764","0.0008","24.9568","0.0018","12.8667","0.0008","90","","110.826","0.005","90","","3384.4","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N6 O9 Pd S2 -","- C32 H32 N6 O9 Pd S2 -","- C128 H128 N24 O36 Pd4 S8 -","4","1","","Subhi A. Al-Jibori; Qusay K.A. Al-Jibori; Harry Schmidt; Kurt Merzweiler; Christoph Wagner; Graeme Hogarth","Palladium(II) saccharinate (sac) and thiosaccharinate (tsac) complexes with 2-aminopyridine (2-ampy), 2-acetylaminopyridine (2-aampy) and 2-acetylaminopyrimidine (2-aampym) co-ligands: X-ray crystal structures of trans-[Pd(sac)2(ampy)2] and solvatomorphs trans-[Pd(sac)2(2-aampy)2].S (S = CHCl3, thf)","Inorganica Chimica Acta","2013","402","","69","74","","","","0.71073","MoKα","","0.0761","0.0325","","","0.0507","0.0556","","","","","","0.698","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517152","5.2333","0.0005","15.577","0.002","16.8148","0.0019","90","","94.495","0.01","90","","1366.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","O,O'-dipropyl-ethylenediamine-N,N'-di-S,S-(2,2'-dibenzyl) acetate dihydrochloride","","- C26 H38 Cl2 N2 O4 -","- C26 H38 Cl2 N2 O4 -","- C52 H76 Cl4 N4 O8 -","2","1","","Dejana P. Dimitrijevic; Verica V. Glodovic; Gordana P. Radic; Santiago Garcia-Granda; Laura Menendez-Taboada; Marija Milovanovic; Vladislav Volarevic; Nebojsa Arsenijevic; Goran A. Bogdanovic; Srecko R. Trifunovic","Stereospecific ligands and their complexes. Part XV. Synthesis, characterization and cytotoxicity of novel platinum(IV) complexes with some esters of ethylenediamine-N,,N'N'-di-S,,S-(2,2''-dibenzyl)acetic acid. Crystal structure of O,,O''-dipropyl-ethylenediamine‒N,,N''-di-S,,S-(2,2''-dibenzyl)acetate dihydrochloride","Inorganica Chimica Acta","2013","402","","83","89","","","","1.54184","CuKα","","0.1346","0.0522","","","0.0913","0.1159","","","","","","0.797","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517153","13.5836","0.0014","13.7161","0.0014","17.2994","0.0018","93.879","0.002","106.332","0.002","99.132","0.002","3032.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 Cr2 Mn N16 O9 -","- C56 H32 Cr2 Mn N16 O9 -","- C112 H64 Cr4 Mn2 N32 O18 -","2","1","","Hongbo Zhou; Qian Zhang; Yuqi Yang; Yan Xu; Hu Zhou; Xiaoping Shen","Syntheses, crystal structures and magnetic properties of three cyano-bridged trinuclear clusters based on modified hexacyanometalates building blocksOriginal","Inorganica Chimica Acta","2013","402","","97","103","","","","0.71073","MoKα","","0.1211","0.0592","","","0.1604","0.1865","","","","","","1.086","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517154","10.727","0.002","19.428","0.004","14.403","0.006","90","","114.66","0.02","90","","2727.9","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 Cr2 N16 Ni O2 -","- C50 H60 Cr2 N16 Ni O2 -","- C100 H120 Cr4 N32 Ni2 O4 -","2","0.5","","Hongbo Zhou; Qian Zhang; Yuqi Yang; Yan Xu; Hu Zhou; Xiaoping Shen","Syntheses, crystal structures and magnetic properties of three cyano-bridged trinuclear clusters based on modified hexacyanometalates building blocksOriginal","Inorganica Chimica Acta","2013","402","","97","103","","","","0.71073","MoKα","","0.0932","0.0718","","","0.1811","0.1996","","","","","","1.014","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517155","10.7448","0.0016","19.343","0.003","14.252","0.0016","90","","114.446","0.008","90","","2696.5","0.7","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 Fe2 N16 Ni O4 -","- C52 H68 Fe2 N16 Ni O4 -","- C104 H136 Fe4 N32 Ni2 O8 -","2","0.5","","Hongbo Zhou; Qian Zhang; Yuqi Yang; Yan Xu; Hu Zhou; Xiaoping Shen","Syntheses, crystal structures and magnetic properties of three cyano-bridged trinuclear clusters based on modified hexacyanometalates building blocksOriginal","Inorganica Chimica Acta","2013","402","","97","103","","","","0.71073","MoKα","","0.0918","0.0613","","","0.1389","0.1482","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517571","19.072","0.004","17.965","0.004","19.204","0.004","90","","90","","90","","6580","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C68 H76 Cd2 N8 O8 -","- C68 H76 Cd2 N8 O8 -","- C272 H304 Cd8 N32 O32 -","4","1","","Lu Liu; Yanhua Liu; Gang Han; Dongqing Wu; Hongwei Hou; Yaoting Fan","A series of 2D coordination complexes constructed from a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","Inorganica Chimica Acta","2013","403","","25","34","","","","0.71073","MoKα","","0.096","0.0845","","","0.1816","0.1899","","","","","","1.197","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517572","10.836","0.002","18.097","0.004","11.34","0.002","90","","92.98","0.03","90","","2220.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 N2 O4 Zn -","- C25 H31 N2 O4 Zn -","- C100 H124 N8 O16 Zn4 -","4","1","","Lu Liu; Yanhua Liu; Gang Han; Dongqing Wu; Hongwei Hou; Yaoting Fan","A series of 2D coordination complexes constructed from a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","Inorganica Chimica Acta","2013","403","","25","34","","","","0.71073","MoKα","","0.0676","0.0587","","","0.1425","0.1568","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517573","9.2186","0.0018","17.128","0.003","17.041","0.003","90","","90","","90","","2690.7","0.9","566","2","566","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H34 Cd N4 O4 -","- C28 H34 Cd N4 O4 -","- C112 H136 Cd4 N16 O16 -","4","0.5","","Lu Liu; Yanhua Liu; Gang Han; Dongqing Wu; Hongwei Hou; Yaoting Fan","A series of 2D coordination complexes constructed from a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","Inorganica Chimica Acta","2013","403","","25","34","","","","0.71073","MoKα","","0.0897","0.0789","","","0.1877","0.1979","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517574","11.143","0.002","12.284","0.003","12.748","0.003","69.85","0.03","84.94","0.03","72.46","0.03","1561.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H37 N4 O9 Zn2 -","- C28 H37 N4 O9 Zn2 -","- C56 H74 N8 O18 Zn4 -","2","1","","Lu Liu; Yanhua Liu; Gang Han; Dongqing Wu; Hongwei Hou; Yaoting Fan","A series of 2D coordination complexes constructed from a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","Inorganica Chimica Acta","2013","403","","25","34","","","","0.71073","MoKα","","0.0804","0.058","","","0.1282","0.144","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517575","11.093","0.002","12.359","0.003","12.561","0.003","70.98","0.03","84.67","0.03","71.61","0.03","1544.8","0.7","566","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 N4 O9 Zn2 -","- C28 H34 N4 O9 Zn2 -","- C56 H68 N8 O18 Zn4 -","2","1","","Lu Liu; Yanhua Liu; Gang Han; Dongqing Wu; Hongwei Hou; Yaoting Fan","A series of 2D coordination complexes constructed from a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","Inorganica Chimica Acta","2013","403","","25","34","","","","0.71073","MoKα","","0.1266","0.084","","","0.1762","0.2077","","","","","","1.127","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517576","8.8721","0.0016","29.118","0.005","24.202","0.004","90","","90","","90","","6252.3","1.9","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C44 H28 Co2 N0 O21 -","- C44 H28 Co2 O21 -","- C176 H112 Co8 O84 -","4","0.5","","Ling-Yan Pang; Ping Liu; Cui-Ping Zhang; Xin Chen; Bo Chen; Yao-Yu Wang; Qi-Zhen Shi","Four cobalt(II) complexes constructed from a butterfly-shaped tetracarboxylic acid with N-donor ligands: Structures, magnetism and influence of coordination modes on dihedral angles","Inorganica Chimica Acta","2013","403","","43","52","","","","0.71073","MoKα","","0.1245","0.0654","","","0.1891","0.2003","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517577","8.2928","0.0009","13.2171","0.0015","16.7624","0.0018","112.54","0.002","102.421","0.002","90.44","0.002","1648.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 Co2 N O11 -","- C27 H21 Co2 N O11 -","- C54 H42 Co4 N2 O22 -","2","1","","Ling-Yan Pang; Ping Liu; Cui-Ping Zhang; Xin Chen; Bo Chen; Yao-Yu Wang; Qi-Zhen Shi","Four cobalt(II) complexes constructed from a butterfly-shaped tetracarboxylic acid with N-donor ligands: Structures, magnetism and influence of coordination modes on dihedral angles","Inorganica Chimica Acta","2013","403","","43","52","","","","0.71073","MoKα","","0.0639","0.0493","","","0.1384","0.1459","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517578","9.731","0.007","11.083","0.008","16.472","0.011","100.738","0.014","97.558","0.014","98.329","0.014","1704","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H23 Co2 N3 O10 -","- C37 H23 Co2 N3 O10 -","- C74 H46 Co4 N6 O20 -","2","1","","Ling-Yan Pang; Ping Liu; Cui-Ping Zhang; Xin Chen; Bo Chen; Yao-Yu Wang; Qi-Zhen Shi","Four cobalt(II) complexes constructed from a butterfly-shaped tetracarboxylic acid with N-donor ligands: Structures, magnetism and influence of coordination modes on dihedral angles","Inorganica Chimica Acta","2013","403","","43","52","","","","0.71073","MoKα","","0.1975","0.1644","","","0.4215","0.4439","","","","","","0.895","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517579","12.082","0.009","13.647","0.01","14.324","0.018","110.57","0.02","109.52","0.02","102.764","0.015","1925","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H54 Co3 N6 O18 -","- C80 H54 Co3 N6 O18 -","- C80 H54 Co3 N6 O18 -","1","0.5","","Ling-Yan Pang; Ping Liu; Cui-Ping Zhang; Xin Chen; Bo Chen; Yao-Yu Wang; Qi-Zhen Shi","Four cobalt(II) complexes constructed from a butterfly-shaped tetracarboxylic acid with N-donor ligands: Structures, magnetism and influence of coordination modes on dihedral angles","Inorganica Chimica Acta","2013","403","","43","52","","","","0.71073","MoKα","","0.2026","0.0908","","","0.2051","0.2472","","","","","","0.817","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517580","12.6006","0.0008","16.3414","0.001","12.6527","0.0008","90","","107.792","0.001","90","","2480.7","0.3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H13 Mn N O5 -","- C12 H13 Mn N O5 -","- C96 H104 Mn8 N8 O40 -","8","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0618","0.0556","","","0.1161","0.1194","","","","","","1.197","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517581","12.1599","0.0004","10.6507","0.0003","14.7652","0.0005","90","","104.768","0.003","90","","1849.09","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cu N O5 -","- C16 H21 Cu N O5 -","- C64 H84 Cu4 N4 O20 -","4","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0693","0.043","","","0.1143","0.1234","","","","","","0.966","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517582","30.528","0.005","19.241","0.003","20.103","0.004","90","","128.611","0.003","90","","9227","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H99 Cu6 N7 O37 -","- C83 H99 Cu6 N7 O37 -","- C332 H396 Cu24 N28 O148 -","4","0.5","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0935","0.0646","","","0.1774","0.1901","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517583","7.4479","0.0005","13.9477","0.0009","12.7644","0.0008","90","","103.5","0.001","90","","1289.34","0.14","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O5 Zn -","- C13 H13 N O5 Zn -","- C52 H52 N4 O20 Zn4 -","4","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0779","0.0666","","","0.136","0.1411","","","","","","1.252","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517584","6.7716","0.0004","18.59","0.001","11.6437","0.0006","90","","97.383","0.001","90","","1453.6","0.14","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O5 Zn -","- C15 H13 N O5 Zn -","- C60 H52 N4 O20 Zn4 -","4","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0454","0.0368","","","0.0966","0.1011","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517585","8.4866","0.0002","14.8476","0.0004","10.1406","0.0003","90","","100.734","0.002","90","","1255.41","0.06","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O5 S Zn -","- C10 H11 N O5 S Zn -","- C40 H44 N4 O20 S4 Zn4 -","4","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0563","0.034","","","0.0786","0.0846","","","","","","0.938","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517586","7.6939","0.0002","15.9643","0.0004","9.8577","0.0003","90","","97.67","0.003","90","","1199.97","0.06","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N O4 S Zn -","- C11 H7 N O4 S Zn -","- C44 H28 N4 O16 S4 Zn4 -","4","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0454","0.0265","","","0.0537","0.0574","","","","","","0.932","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517587","13.2373","0.0006","17.9155","0.0008","21.4035","0.001","90","","100.105","0.001","90","","4997.2","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Mn3 N4 O16 -","- C48 H46 Mn3 N4 O16 -","- C192 H184 Mn12 N16 O64 -","4","0.5","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0578","0.0519","","","0.1315","0.1355","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517588","14.3217","0.0003","18.4222","0.0004","20.9869","0.0004","90","","99.57","0.002","90","","5460.1","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H54 Mn3 N4 O16 -","- C52 H54 Mn3 N4 O16 -","- C208 H216 Mn12 N16 O64 -","4","0.5","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0686","0.0376","","","0.0978","0.1114","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517589","11.8731","0.0004","18.4743","0.0007","20.5194","0.0005","90","","142.563","0.001","90","","2736.03","0.17","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 Mn3 N4 O16 -","- C56 H54 Mn3 N4 O16 -","- C112 H108 Mn6 N8 O32 -","2","0.5","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0641","0.0531","","","0.1205","0.1255","","","","","","1.086","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517590","13.943","0.0004","18.2501","0.0006","12.1687","0.0004","90","","113.169","0.004","90","","2846.73","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Mn3 N4 O16 -","- C58 H60 Mn3 N4 O16 -","- C116 H120 Mn6 N8 O32 -","2","0.5","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0457","0.0297","","","0.0743","0.0799","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517591","11.8527","0.0006","18.29","0.0007","11.4991","0.0006","90","","99.02","0.005","90","","2462","0.2","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 Mn N O5 S -","- C10 H11 Mn N O5 S -","- C80 H88 Mn8 N8 O40 S8 -","8","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.1229","0.0456","","","0.1125","0.178","","","","","","0.847","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517592","14.1239","0.0003","18.3243","0.0004","20.6657","0.0003","90","","99.1218","0.0018","90","","5280.86","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H54 Co3 N4 O16 -","- C52 H54 Co3 N4 O16 -","- C208 H216 Co12 N16 O64 -","4","0.5","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0872","0.0401","","","0.0909","0.0975","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517593","9.7175","0.0004","18.0168","0.0008","26.7918","0.0011","90","","90","","90","","4690.7","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H48 Mn3 N4 O16 -","- C44 H48 Mn3 N4 O16 -","- C176 H192 Mn12 N16 O64 -","4","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0521","0.0487","","","0.1225","0.1247","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517594","12.2756","0.0002","14.1032","0.0002","25.8603","0.0004","90","","129.437","0.001","90","","3457.75","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H78 Co3 N6 O18 -","- C66 H78 Co3 N6 O18 -","- C132 H156 Co6 N12 O36 -","2","0.5","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0482","0.0318","","","0.0767","0.0793","","","","","","0.985","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517595","20.0297","0.001","14.8284","0.0007","22.9351","0.0011","90","","111.256","0.001","90","","6348.5","0.5","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C120 H132 N12 O37 Zn6 -","- C120 H132 N12 O37 Zn6 -","- C240 H264 N24 O74 Zn12 -","2","0.5","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0988","0.0739","","","0.1975","0.2116","","","","","","1.111","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517596","12.158","0.0005","14.0426","0.0005","25.9262","0.0008","90","","127.589","0.001","90","","3507.5","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H78 N6 O18 Zn3 -","- C72 H78 N6 O18 Zn3 -","- C144 H156 N12 O36 Zn6 -","2","0.5","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0683","0.0586","","","0.1305","0.1355","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517597","7.1977","0.0003","7.2645","0.0004","12.8111","0.0007","81.631","0.004","83.686","0.004","78.332","0.004","646.79","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 N2 Ni O12 -","- C22 H36 N2 Ni O12 -","- C22 H36 N2 Ni O12 -","1","0.5","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0314","0.0284","","","0.0769","0.0783","","","","","","1.105","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517598","6.9972","0.0002","10.0161","0.0003","13.8929","0.0005","90","","124.842","0.002","90","","799.13","0.05","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H16 Mn N2 O10 -","- C16 H16 Mn N2 O10 -","- C32 H32 Mn2 N4 O20 -","2","0.5","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0421","0.0293","","","0.0743","0.0794","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517599","10.1163","0.0003","7.7922","0.0002","16.0161","0.0005","90","","90.522","0.002","90","","1262.47","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O5 Zn -","- C12 H14 N2 O5 Zn -","- C48 H56 N8 O20 Zn4 -","4","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0533","0.0325","","","0.0818","0.0872","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517600","11.7729","0.0002","18.2439","0.0004","11.7165","0.0002","90","","99.6134","0.0019","90","","2481.17","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Mn N O5 S -","- C11 H11 Mn N O5 S -","- C88 H88 Mn8 N8 O40 S8 -","8","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0468","0.0315","","","0.0954","0.1169","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517601","11.2759","0.0004","18.4795","0.0004","11.2782","0.0004","90","","96.217","0.004","90","","2336.25","0.13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 Mn O5 S2 -","- C8 H8 Mn O5 S2 -","- C64 H64 Mn8 O40 S16 -","8","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0868","0.0574","","","0.1731","0.1829","","","","","","1.135","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517602","13.5792","0.0006","10.1898","0.0004","17.6223","0.0007","90","","90.738","0.001","90","","2438.18","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Mn2 N2 O10 -","- C22 H22 Mn2 N2 O10 -","- C88 H88 Mn8 N8 O40 -","4","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0503","0.0406","","","0.0964","0.1009","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517603","20.324","0.001","20.324","0.001","15.2571","0.0007","90","","90","","90","","6302.2","0.5","223","2","223","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C15 H19 Mn N O5 -","- C15 H19 Mn N O5 -","- C240 H304 Mn16 N16 O80 -","16","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0572","0.0542","","","0.1162","0.1177","","","","","","1.209","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517604","17.993","0.0006","7.2497","0.0003","11.5979","0.0004","90","","90","","90","","1512.87","0.1","173","2","173","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C8 H7.5 Co N O8.25 -","- C8 H7.5 Co N O8.25 -","- C32 H30 Co4 N4 O33 -","4","0.25","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0489","0.0411","","","0.1288","0.1343","","","","","","1.059","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517605","7.1781","0.0002","14.0979","0.0003","16.0641","0.0004","90","","121.726","0.002","90","","1382.71","0.07","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C30 H26 N2 O10 Zn2 -","- C30 H26 N2 O10 Zn2 -","- C60 H52 N4 O20 Zn4 -","2","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.0907","0.05","","","0.1279","0.1568","","","","","","0.944","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517606","7.617","0.0006","12.6984","0.0008","19.1943","0.0014","90","","100.373","0.008","90","","1826.2","0.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Cu N2 O4 S -","- C6 H8 Cu N2 O4 S -","- C48 H64 Cu8 N16 O32 S8 -","8","1","","Shi-Yao Yang; Hong-Bo Yuan; Xiao-Bin Xu; Rong-Bin Huang","Influential factors on assembly of first-row transition metal coordination polymers","Inorganica Chimica Acta","2013","403","","53","62","","","","0.71073","MoKα","","0.1088","0.0642","","","0.1912","0.1985","","","","","","1.175","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517609","17.3392","0.0007","11.4434","0.0005","6.7896","0.0003","90","","90","","90","","1347.19","0.1","153","2","153","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H10 Cu N2 O8 -","- C13 H10 Cu N2 O8 -","- C52 H40 Cu4 N8 O32 -","4","1","","Niamh R. Kelly; Sandrine Goetz; Chris S. Hawes; Paul E. Kruger","Acid directed in situ oxidation and decarboxylation of 4,4',6,6'- tetra-methyl-2,2'-bipyridine: Synthesis and structural characterisation of 4,4',6-tri-carboxy-2,2'-bipyridine and its copper(II) coordination polymer","Inorganica Chimica Acta","2013","403","","102","109","","","","0.71073","MoKα","","0.0301","0.03","","","0.084","0.0841","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517610","9.0411","0.0007","25.089","0.0019","6.5439","0.0005","90","","95.672","0.002","90","","1477.1","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N3 O10 -","- C13 H11 N3 O10 -","- C52 H44 N12 O40 -","4","1","","Niamh R. Kelly; Sandrine Goetz; Chris S. Hawes; Paul E. Kruger","Acid directed in situ oxidation and decarboxylation of 4,4',6,6'- tetra-methyl-2,2'-bipyridine: Synthesis and structural characterisation of 4,4',6-tri-carboxy-2,2'-bipyridine and its copper(II) coordination polymer","Inorganica Chimica Acta","2013","403","","102","109","","","","0.71073","MoKα","","0.0962","0.0762","","","0.1488","0.1568","","","","","","1.214","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517611","18.0712","0.0007","20.2891","0.0008","21.3259","0.0008","90","","105.165","0.001","90","","7546.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H28 Ag16 N16 O38 -","- C54 H24 Ag16 N16 O38 -","- C216 H96 Ag64 N64 O152 -","4","1","","Ping-Shing Cheng; Sam C.K. Hau; Thomas C.W. Mak","Layer-type organosilver(I) complexes assembled with nitrate and functionalized phenylethynide ligands","Inorganica Chimica Acta","2013","403","","110","119","","","","0.71073","MoKα","","0.021","0.0181","","","0.0445","0.0461","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517612","13.4303","0.0008","23.1607","0.0014","6.9961","0.0004","90","","106.068","0.001","90","","2091.2","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H4 Ag2 N2 O3 -","- C9 H4 Ag2 N2 O3 -","- C72 H32 Ag16 N16 O24 -","8","1","","Ping-Shing Cheng; Sam C.K. Hau; Thomas C.W. Mak","Layer-type organosilver(I) complexes assembled with nitrate and functionalized phenylethynide ligands","Inorganica Chimica Acta","2013","403","","110","119","","","","0.71073","MoKα","","0.0353","0.0316","","","0.0707","0.0731","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517613","19.4834","0.0014","13.7283","0.001","6.846","0.0005","90","","103.299","0.001","90","","1782","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H8 Ag3 N3 O3 -","- C18 H8 Ag3 N3 O3 -","- C72 H32 Ag12 N12 O12 -","4","0.5","","Ping-Shing Cheng; Sam C.K. Hau; Thomas C.W. Mak","Layer-type organosilver(I) complexes assembled with nitrate and functionalized phenylethynide ligands","Inorganica Chimica Acta","2013","403","","110","119","","","","0.71073","MoKα","","0.0201","0.017","","","0.0429","0.0452","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517614","7.712","0.0003","10.9193","0.0005","17.7306","0.0008","102.663","0.001","90.421","0.001","95.615","0.001","1449.14","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Ag4 N4 O12 S2 -","- C20 H20 Ag4 N4 O12 S2 -","- C40 H40 Ag8 N8 O24 S4 -","2","1","","Ping-Shing Cheng; Sam C.K. Hau; Thomas C.W. Mak","Layer-type organosilver(I) complexes assembled with nitrate and functionalized phenylethynide ligands","Inorganica Chimica Acta","2013","403","","110","119","","","","0.71073","MoKα","","0.0428","0.0315","","","0.0804","0.0962","","","","","","1.141","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517615","32.06","0.003","7.9055","0.0008","20.4","0.002","90","","97.441","0.002","90","","5126.8","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H24 Ag9 N9 O21 -","- C48 H24 Ag9 N9 O21 -","- C192 H96 Ag36 N36 O84 -","4","0.5","","Ping-Shing Cheng; Sam C.K. Hau; Thomas C.W. Mak","Layer-type organosilver(I) complexes assembled with nitrate and functionalized phenylethynide ligands","Inorganica Chimica Acta","2013","403","","110","119","","","","0.71073","MoKα","","0.0854","0.0834","","","0.2232","0.2246","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517616","61.092","0.003","11.685","0.0005","40.4068","0.0019","90","","129.517","0.001","90","","22251.9","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H84 Ag19 N7 O21 -","- C108 H84 Ag19 N7 O21 -","- C864 H672 Ag152 N56 O168 -","8","1","","Ping-Shing Cheng; Sam C.K. Hau; Thomas C.W. Mak","Layer-type organosilver(I) complexes assembled with nitrate and functionalized phenylethynide ligands","Inorganica Chimica Acta","2013","403","","110","119","","","","0.71073","MoKα","","0.1011","0.0338","","","0.0698","0.1017","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517617","7.405","0.002","51.214","0.016","11.984","0.004","90","","90","","90","","4545","2","296","2","296","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C28 H18 Ag3 N O3 -","- C28 H18 Ag3 N O3 -","- C224 H144 Ag24 N8 O24 -","8","1","","Ping-Shing Cheng; Sam C.K. Hau; Thomas C.W. Mak","Layer-type organosilver(I) complexes assembled with nitrate and functionalized phenylethynide ligands","Inorganica Chimica Acta","2013","403","","110","119","","","","0.71073","MoKα","","0.0776","0.0547","","","0.1351","0.1522","","","","","","1.085","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517618","10.975","0.002","11.641","0.002","13.659","0.003","92.24","0.03","96.77","0.03","115.1","0.03","1561.5","0.7","123","0.18","123","0.18","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H19.5 N8.5 Ni O4.5 -","- C19.5 H19.5 N8.5 Ni O4.5 -","- C39 H39 N17 Ni2 O9 -","2","1","","Mohd. R. Razali; Aron Urbatsch; Glen B. Deacon; Stuart R. Batten","Coordination polymers of transition metals derived from the in situ nucleophilic addition of alcohols to dicyanonitrosomethanide [C(CN)2(NO)]-","Inorganica Chimica Acta","2013","403","","120","126","","","","0.7107","MoKα","","0.0758","0.0613","","","0.1879","0.1979","","","","","","1.042","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517619","16.096","0.003","11.352","0.002","16.663","0.003","90","","116.4","0.03","90","","2727.2","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N8 Ni O6 -","- C24 H32 N8 Ni O6 -","- C96 H128 N32 Ni4 O24 -","4","0.5","","Mohd. R. Razali; Aron Urbatsch; Glen B. Deacon; Stuart R. Batten","Coordination polymers of transition metals derived from the in situ nucleophilic addition of alcohols to dicyanonitrosomethanide [C(CN)2(NO)]-","Inorganica Chimica Acta","2013","403","","120","126","","","","0.71082","synchrotron","","0.0609","0.0543","","","0.1457","0.1508","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517620","12.7151","0.0012","29.843","0.003","11.5626","0.0011","90","","90","","90","","4387.5","0.7","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H20 N8 O6 Zn -","- C18 H20 N8 O6 Zn -","- C144 H160 N64 O48 Zn8 -","8","0.5","","Mohd. R. Razali; Aron Urbatsch; Glen B. Deacon; Stuart R. Batten","Coordination polymers of transition metals derived from the in situ nucleophilic addition of alcohols to dicyanonitrosomethanide [C(CN)2(NO)]-","Inorganica Chimica Acta","2013","403","","120","126","","","","0.71073","MoKα","","0.0426","0.0389","","","0.0883","0.0898","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517621","15.4005","0.0019","15.4356","0.0019","13.3294","0.0017","90","","92.652","0.009","90","","3165.2","0.7","123","2","123","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H24 Cu2 N14 O8 -","- C26 H24 Cu2 N14 O8 -","- C104 H96 Cu8 N56 O32 -","4","1","","Mohd. R. Razali; Aron Urbatsch; Glen B. Deacon; Stuart R. Batten","Coordination polymers of transition metals derived from the in situ nucleophilic addition of alcohols to dicyanonitrosomethanide [C(CN)2(NO)]-","Inorganica Chimica Acta","2013","403","","120","126","","","","0.71073","MoKα","","0.1165","0.102","","","0.2636","0.2784","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517622","14.672","0.002","8.9189","0.0014","19.432","0.003","90","","109.062","0.002","90","","2403.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 Au Cl2 N3 -","- C18 H36 Au Cl2 N3 -","- C72 H144 Au4 Cl8 N12 -","4","1","","Jeffrey S. Ovens; Kimberley N. Truong; Daniel B. Leznoff","Targeting [AuCl2(CN)2]- units as halophilic building blocks in coordination polymers","Inorganica Chimica Acta","2013","403","","127","135","","","","0.71073","MoKα","","0.1063","0.0369","","0.0633","0.0324","0.0307","","","","","","1.1218","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517623","23.2596","0.0009","7.8186","0.0003","17.9766","0.0008","90","","96.244","0.003","90","","3249.8","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 Au2 Cl4 Cu N8 O -","- C29 H20 Au2 Cl4 Cu N8 O -","- C116 H80 Au8 Cl16 Cu4 N32 O4 -","4","0.5","","Jeffrey S. Ovens; Kimberley N. Truong; Daniel B. Leznoff","Targeting [AuCl2(CN)2]- units as halophilic building blocks in coordination polymers","Inorganica Chimica Acta","2013","403","","127","135","","","","0.71073","MoKα","","0.0818","0.0624","","0.0981","0.0856","0.083","","","","","","1.0239","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517624","10.261","0.0008","10.733","0.0009","17.0463","0.0014","96.691","0.005","104.985","0.005","105.427","0.005","1713.2","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H24 Au2 Cl4 Cu N8 -","- C32 H24 Au2 Cl4 Cu N8 -","- C64 H48 Au4 Cl8 Cu2 N16 -","2","1","","Jeffrey S. Ovens; Kimberley N. Truong; Daniel B. Leznoff","Targeting [AuCl2(CN)2]- units as halophilic building blocks in coordination polymers","Inorganica Chimica Acta","2013","403","","127","135","","","","0.71073","MoKα","","0.0673","0.0373","","0.0544","0.0301","0.0293","","","","","","1.0722","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517625","7.6389","0.0002","15.9784","0.0005","20.5561","0.0006","90","","94.064","0.002","90","","2502.72","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Au2 Cl4 Cu N7 -","- C19 H11 Au2 Cl4 Cu N7 -","- C76 H44 Au8 Cl16 Cu4 N28 -","4","1","","Jeffrey S. Ovens; Kimberley N. Truong; Daniel B. Leznoff","Targeting [AuCl2(CN)2]- units as halophilic building blocks in coordination polymers","Inorganica Chimica Acta","2013","403","","127","135","","","","0.71073","MoKα","","0.0411","0.0278","","0.04","0.0324","0.0319","","","","","","0.964","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517626","21.7786","0.0018","6.9551","0.0006","14.5185","0.0013","90","","90","","90","","2199.2","0.3","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H15 Au Cl3 Cu N5 O4 -","- C17 H11 Au Cl3 Cu N5 O4 -","- C68 H44 Au4 Cl12 Cu4 N20 O16 -","4","0.5","","Jeffrey S. Ovens; Kimberley N. Truong; Daniel B. Leznoff","Targeting [AuCl2(CN)2]- units as halophilic building blocks in coordination polymers","Inorganica Chimica Acta","2013","403","","127","135","","","","0.71073","MoKα","","0.0639","0.034","","0.0805","0.0385","0.0385","","","","","","1.1889","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517627","19.2613","0.0006","6.8059","0.0002","13.9284","0.0007","90","","132.907","0.001","90","","1337.38","0.09","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Au2 Cl4 Cu N10 -","- C16 H16 Au2 Cl4 Cu N10 -","- C32 H32 Au4 Cl8 Cu2 N20 -","2","0.25","","Jeffrey S. Ovens; Kimberley N. Truong; Daniel B. Leznoff","Targeting [AuCl2(CN)2]- units as halophilic building blocks in coordination polymers","Inorganica Chimica Acta","2013","403","","127","135","","","","0.71073","MoKα","","0.0344","0.0268","","0.0298","0.0274","0.0272","","","","","","1.1924","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517628","15.1343","0.0004","16.3411","0.0004","11.15","0.0003","90","","90","","90","","2757.52","0.12","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C24 H16 Au2 Cl2 Cu N8 -","- C24 H16 Au2 Cl2 Cu N8 -","- C96 H64 Au8 Cl8 Cu4 N32 -","4","0.25","","Jeffrey S. Ovens; Kimberley N. Truong; Daniel B. Leznoff","Targeting [AuCl2(CN)2]- units as halophilic building blocks in coordination polymers","Inorganica Chimica Acta","2013","403","","127","135","","","","0.71073","MoKα","","0.0459","0.0291","","0.0427","0.0376","0.037","","","","","","1.1793","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517629","6.6722","0.0003","6.7949","0.0003","9.6371","0.0004","70.78","0.002","87.154","0.002","89.71","0.002","412.03","0.03","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H8 Au2 Cl4 Mn N4 O4 -","- C4 H8 Au2 Cl4 Mn N4 O4 -","- C4 H8 Au2 Cl4 Mn N4 O4 -","1","0.5","","Ovens, Jeffrey S.; Truong, Kimberley N.; Leznoff, Daniel B.","Targeting [AuCl2(CN)2]^-^ units as halophilic building blocks in coordination polymers","Inorganica Chimica Acta","2013","403","","127","135","10.1016/j.ica.2013.02.011","","","0.71073","MoKα","","0.0453","0.0428","","0.0675","0.0621","0.0618","","","","","","1.0835","","","","has coordinates","188742","2020-10-21","18:00:00",""
"1517630","5.2333","0.0002","9.212","0.0003","9.4271","0.0003","83.557","0.002","85.408","0.002","89.333","0.002","450.15","0.03","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H12 Au2 Cl4 Co N4 O6 -","- C4 H8 Au2 Cl4 Co N4 O6 -","- C4 H8 Au2 Cl4 Co N4 O6 -","1","0.5","","Jeffrey S. Ovens; Kimberley N. Truong; Daniel B. Leznoff","Targeting [AuCl2(CN)2]- units as halophilic building blocks in coordination polymers","Inorganica Chimica Acta","2013","403","","127","135","","","","0.71073","MoKα","","0.0446","0.0274","","0.0473","0.0338","0.0334","","","","","","1.0195","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517631","10.7962","0.0019","7.563","0.0013","7.3761","0.0012","90","","92.646","0.003","90","","601.63","0.18","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Cu O4 P -","- C4 H6 Cu O4 P -","- C16 H24 Cu4 O16 P4 -","4","1","","Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands","Inorganica Chimica Acta","2013","403","","63","77","","","","0.71073","MoKα","","0.0276","0.0233","","","0.0614","0.0636","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517632","10.7313","0.0016","11.4004","0.0016","14.482","0.002","78.92","0.002","78.942","0.002","75.774","0.002","1665.8","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 Cu N3 O14 P4 -","- C28 H34 Cu N3 O14 P4 -","- C56 H68 Cu2 N6 O28 P8 -","2","1","","Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands","Inorganica Chimica Acta","2013","403","","63","77","","","","0.71073","MoKα","","0.0338","0.0294","","","0.0795","0.0816","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517633","8.759","0.006","9.008","0.006","13.506","0.009","89.597","0.011","86.049","0.01","71.486","0.009","1008","1.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Cu2 N6 O14 P4 -","- C40 H36 Cu2 N6 O14 P4 -","- C40 H36 Cu2 N6 O14 P4 -","1","0.5","","Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands","Inorganica Chimica Acta","2013","403","","63","77","","","","0.71073","MoKα","","0.027","0.0259","","","0.0751","0.0757","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517634","14.0898","0.0015","20.701","0.003","29.256","0.004","90","","92.153","0.002","90","","8527.2","1.9","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H82 Cl6 Cu4 N12 O26 P6 -","- C72 H70 Cl6 Cu4 N12 O26 P6 -","- C288 H280 Cl24 Cu16 N48 O104 P24 -","4","0.5","","Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands","Inorganica Chimica Acta","2013","403","","63","77","","","","0.71073","MoKα","","0.087","0.0551","","","0.1231","0.1388","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517635","9.722","0.004","10.629","0.004","10.723","0.004","68.927","0.006","67.969","0.006","75.033","0.006","948.7","0.6","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cu2 N6 O12 P4 -","- C36 H38 Cu2 N6 O12 P4 -","- C36 H38 Cu2 N6 O12 P4 -","1","0.5","","Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands","Inorganica Chimica Acta","2013","403","","63","77","","","","0.71073","MoKα","","0.0329","0.0282","","","0.0764","0.079","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517636","7.291","0.004","11.546","0.006","13.795","0.007","99.645","0.009","93.331","0.008","98.882","0.008","1126.9","1","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cu2 N4 O20 P4 -","- C40 H52 Cu2 N4 O20 P4 -","- C40 H52 Cu2 N4 O20 P4 -","1","0.5","","Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands","Inorganica Chimica Acta","2013","403","","63","77","","","","0.71073","MoKα","","0.0311","0.0295","","","0.0796","0.0806","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517637","6.8782","0.0012","11.792","0.002","11.808","0.002","116.021","0.003","93.494","0.003","95.651","0.003","850.6","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Cu N2 O7 P -","- C16 H20 Cu N2 O7 P -","- C32 H40 Cu2 N4 O14 P2 -","2","1","","Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands","Inorganica Chimica Acta","2013","403","","63","77","","","","0.71073","MoKα","","0.0628","0.0534","","","0.1603","0.1677","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517638","10.6221","0.0008","10.9369","0.0009","11.4714","0.0009","66.84","0.001","64.883","0.001","84.088","0.001","1106.13","0.15","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cu N2 O9 P2 -","- C20 H24 Cu N2 O9 P2 -","- C40 H48 Cu2 N4 O18 P4 -","2","1","","Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands","Inorganica Chimica Acta","2013","403","","63","77","","","","0.71073","MoKα","","0.0319","0.0277","","","0.0702","0.0729","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517639","10.3496","0.0018","14.682","0.003","12.523","0.002","90","","104.644","0.004","90","","1841.1","0.6","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cu N2 O6 P2 -","- C20 H18 Cu N2 O6 P2 -","- C80 H72 Cu4 N8 O24 P8 -","4","1","","Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands","Inorganica Chimica Acta","2013","403","","63","77","","","","0.71073","MoKα","","0.0435","0.0284","","","0.0611","0.0663","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517640","9.7161","0.0016","11.3506","0.0018","11.371","0.0018","116.331","0.002","111.017","0.003","92.971","0.003","1015.3","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cu N2 O6 P2 -","- C20 H18 Cu N2 O6 P2 -","- C40 H36 Cu2 N4 O12 P4 -","2","1","","Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands","Inorganica Chimica Acta","2013","403","","63","77","","","","0.71073","MoKα","","0.0205","0.02","","","0.0572","0.0576","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517641","9.8285","0.0017","16.843","0.003","16.124","0.003","90","","106.353","0.002","90","","2561.2","0.8","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Cu N2 O11 P3 -","- C22 H23.5 Cu N2 O11 P3 -","- C88 H94 Cu4 N8 O44 P12 -","4","1","","Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands","Inorganica Chimica Acta","2013","403","","63","77","","","","0.71073","MoKα","","0.0297","0.028","","","0.0841","0.0854","","","","","","1.073","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1517642","9.9436","0.0013","10.066","0.0014","11.3028","0.0015","110.062","0.002","108.237","0.002","91.26","0.002","998.6","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Cu N2 O8 P2 -","- C18 H22 Cu N2 O8 P2 -","- C36 H44 Cu2 N4 O16 P4 -","2","1","","Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands","Inorganica Chimica Acta","2013","403","","63","77","","","x-ray","0.71073","MoKα","","0.0714","0.049","","","0.1042","0.1108","","","","","","1.162","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517643","9.7629","0.0014","10.773","0.0016","11.306","0.0017","62.814","0.002","89.181","0.003","69.619","0.003","976.5","0.3","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H18 Cu N2 O6 P2 -","- C18 H18 Cu N2 O6 P2 -","- C36 H36 Cu2 N4 O12 P4 -","2","1","","Tiffany M. Smith; Jose Vargas; Diona Symester; Michael Tichenor; Charles J. O-Connor; Jon Zubieta","Metal-organophosphonate chemistry: Hydrothermal syntheses and structures of copper(II)-xylyldiphosphonates with organonitrogen coligands","Inorganica Chimica Acta","2013","403","","63","77","","","","0.71073","MoKα","","0.0328","0.0267","","","0.0692","0.0709","","","","","","1.375","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517644","7.4031","0.0009","11.9709","0.0014","16.4265","0.0019","97.706","0.001","96.661","0.001","106.489","0.001","1365","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Co N4 O11 -","- C25 H32 Co N4 O11 -","- C50 H64 Co2 N8 O22 -","2","1","","Ciana M. Rogers; Curtis Y. Wang; Gregory A. Farnum; Robert L. LaDuca","Divalent metal homophthalate coordination polymers with long-spanning dipyridyl ligands containing piperazine moieties","Inorganica Chimica Acta","2013","403","","78","84","","","","0.71073","MoKα","","0.0271","0.0243","","","0.0601","0.062","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517645","16.411","0.003","16.687","0.003","8.7009","0.0016","90","","91.587","0.002","90","","2381.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N4 Ni O7 -","- C25 H24 N4 Ni O7 -","- C100 H96 N16 Ni4 O28 -","4","1","","Ciana M. Rogers; Curtis Y. Wang; Gregory A. Farnum; Robert L. LaDuca","Divalent metal homophthalate coordination polymers with long-spanning dipyridyl ligands containing piperazine moieties","Inorganica Chimica Acta","2013","403","","78","84","","","","0.71073","MoKα","","0.093","0.0643","","","0.1507","0.1647","","","","","","1.117","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517646","7.775","0.002","10.371","0.003","10.484","0.003","92.643","0.003","107.411","0.003","106.529","0.004","765.3","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N4 O8 Zn2 -","- C34 H32 N4 O8 Zn2 -","- C34 H32 N4 O8 Zn2 -","1","0.5","","Ciana M. Rogers; Curtis Y. Wang; Gregory A. Farnum; Robert L. LaDuca","Divalent metal homophthalate coordination polymers with long-spanning dipyridyl ligands containing piperazine moieties","Inorganica Chimica Acta","2013","403","","78","84","","","","0.71073","MoKα","","0.0452","0.0335","","","0.0731","0.0784","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517647","13.753","0.004","14.752","0.005","13.844","0.003","90","","110.1","0.005","90","","2637.7","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cu2 N6 O9 -","- C22 H32 Cu2 N6 O9 -","- C88 H128 Cu8 N24 O36 -","4","1","","Ying-Ying Liu; Jie Liu; Jin Yang; Bo Liu; Jian-Fang Ma","Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand","Inorganica Chimica Acta","2013","403","","85","96","","","","0.71069","MoKα","","0.0527","0.0333","","","0.0788","0.0868","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517648","10.049","0.0012","10.853","0.0011","11.194","0.0013","117.721","0.002","102.109","0.002","102.6","0.001","983.86","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 Cu2 N4 O24 -","- C30 H44 Cu2 N4 O24 -","- C30 H44 Cu2 N4 O24 -","1","0.5","","Ying-Ying Liu; Jie Liu; Jin Yang; Bo Liu; Jian-Fang Ma","Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand","Inorganica Chimica Acta","2013","403","","85","96","","","","0.71069","MoKα","","0.0546","0.0448","","","0.1362","0.1424","","","","","","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517649","16.739","0.002","9.557","0.004","20.295","0.004","90","","90","","90","","3246.7","1.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N2 O4 S Zn -","- C16 H18 N2 O4 S Zn -","- C128 H144 N16 O32 S8 Zn8 -","8","1","","Ying-Ying Liu; Jie Liu; Jin Yang; Bo Liu; Jian-Fang Ma","Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand","Inorganica Chimica Acta","2013","403","","85","96","","","","0.71073","MoKα","","0.0692","0.0423","","","0.089","0.0976","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517650","10.22","0.003","17.019","0.007","18.574","0.006","70.492","0.013","83.894","0.01","74.857","0.012","2938.8","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H69 N8 O12.5 Zn4 -","- C60 H68 N8 O12.5 Zn4 -","- C120 H136 N16 O25 Zn8 -","2","1","","Ying-Ying Liu; Jie Liu; Jin Yang; Bo Liu; Jian-Fang Ma","Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand","Inorganica Chimica Acta","2013","403","","85","96","","","","0.71069","MoKα","","0.1033","0.0535","","","0.1029","0.1202","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517651","11.094","0.002","13.237","0.003","15.332","0.003","90","","100.022","0.003","90","","2217.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H23.5 Cd N2 O6.25 -","- C13 H21 Cd N2 O6.25 -","- C52 H84 Cd4 N8 O25 -","4","1","","Ying-Ying Liu; Jie Liu; Jin Yang; Bo Liu; Jian-Fang Ma","Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand","Inorganica Chimica Acta","2013","403","","85","96","","","","0.71069","MoKα","","0.0606","0.0461","","","0.1414","0.1547","","","","","","1.033","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517652","10.29","0.005","10.551","0.006","10.573","0.007","61.81","0.03","80.96","0.03","73.06","0.02","967.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 Cd2 N4 O15 -","- C30 H52 Cd2 N4 O15 -","- C30 H52 Cd2 N4 O15 -","1","0.5","","Ying-Ying Liu; Jie Liu; Jin Yang; Bo Liu; Jian-Fang Ma","Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand","Inorganica Chimica Acta","2013","403","","85","96","","","","0.71069","MoKα","","0.0326","0.0299","","","0.0773","0.0785","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517653","11.848","0.004","11.98","0.004","16.172","0.005","70.674","0.004","77.724","0.005","74.77","0.004","2070","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H51 Cd2 N4 O13.5 -","- C29.5 H35 Cd2 N4 O13.5 -","- C59 H70 Cd4 N8 O27 -","2","1","","Ying-Ying Liu; Jie Liu; Jin Yang; Bo Liu; Jian-Fang Ma","Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand","Inorganica Chimica Acta","2013","403","","85","96","","","","0.71069","MoKα","","0.1055","0.0598","","","0.1589","0.187","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517654","10.336","0.004","12.175","0.006","12.76","0.005","97.378","0.016","105.934","0.014","98.935","0.018","1500.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 N4 Ni2 O9.5 -","- C28 H40 N4 Ni2 O9.5 -","- C56 H80 N8 Ni4 O19 -","2","1","","Ying-Ying Liu; Jie Liu; Jin Yang; Bo Liu; Jian-Fang Ma","Eight coordination compounds based on a reduced Schiff base tetraaminodiphenol macrocyclic ligand","Inorganica Chimica Acta","2013","403","","85","96","","","","0.71069","MoKα","","0.0777","0.0498","","","0.1154","0.1294","","","","","","1.034","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517655","8.7526","0.0005","9.9887","0.0006","11.2859","0.0007","116.225","0.001","107.319","0.001","92.478","0.001","827.21","0.09","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cu N2 O6 -","- C16 H16 Cu N2 O6 -","- C32 H32 Cu2 N4 O12 -","2","1","","Mohammad Hedayetullah Mir; Jagadese J. Vittal","Muconate bridged coordination polymers of Cu(II): Effect of auxiliary ligand on their structural architectures","Inorganica Chimica Acta","2013","403","","97","101","","","","0.71073","MoKα","","0.0284","0.0268","","","0.0691","0.0701","","","","","","1.043","","","","has coordinates","216710","2020-10-21","18:00:00",""
"1517656","17.175","0.005","12.034","0.003","8.324","0.002","90","","113.606","0.005","90","","1576.5","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cu2 N4 O12 -","- C32 H32 Cu2 N4 O12 -","- C64 H64 Cu4 N8 O24 -","2","0.25","","Mohammad Hedayetullah Mir; Jagadese J. Vittal","Muconate bridged coordination polymers of Cu(II): Effect of auxiliary ligand on their structural architectures","Inorganica Chimica Acta","2013","403","","97","101","","","","0.71073","MoKα","","0.0471","0.0413","","","0.1128","0.1191","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517686","11.3391","0.0002","10.3526","0.0002","14.5631","0.0002","90","","90.5976","0.0008","90","","1709.46","0.05","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Au N2 -","- C19 H17 Au N2 -","- C76 H68 Au4 N8 -","4","1","","Luciano Canovese; Carlo Levi; Fabiano Visentin; Claudio Santo; Valerio Bertolasi","Transmetalation between Au(I) and Sn(IV) complexes. The reaction mechanism in non-coordinating and coordinating polar solvents","Inorganica Chimica Acta","2013","404","","105","112","","","","0.71073","MoKα","","0.0461","0.0334","","","0.0828","0.0881","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517687","10.2963","0.0015","12.168","0.0018","19.578","0.003","82.172","0.003","81.881","0.003","66.876","0.002","2224.4","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 Er N7 O18 -","- C40 H44 Er N7 O18 -","- C80 H88 Er2 N14 O36 -","2","1","","Xue-Qin Song; Ding-Ye Xing; Yao-Kun Lei; Meng-Meng Zhao; Guo-Quan Cheng; Xiao-Run Wang; Yun-Qiao Peng","Lanthanide coordination polymers constructed by a new semirigid bridging salicylamide ligand: Synthesis, supramolecular structure and luminescence properties","Inorganica Chimica Acta","2013","404","","113","122","","","","0.71073","MoKα","","0.0403","0.0343","","","0.087","0.0951","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517688","10.282","0.0011","12.203","0.0013","19.577","0.0018","82.072","0.002","81.311","0.002","67.094","0.001","2228.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 Eu N7 O18 -","- C40 H44 Eu N7 O18 -","- C80 H88 Eu2 N14 O36 -","2","1","","Xue-Qin Song; Ding-Ye Xing; Yao-Kun Lei; Meng-Meng Zhao; Guo-Quan Cheng; Xiao-Run Wang; Yun-Qiao Peng","Lanthanide coordination polymers constructed by a new semirigid bridging salicylamide ligand: Synthesis, supramolecular structure and luminescence properties","Inorganica Chimica Acta","2013","404","","113","122","","","","0.71073","MoKα","","0.0785","0.0604","","","0.1529","0.1678","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517689","10.2946","0.0013","12.225","0.0016","19.575","0.003","82.056","0.002","81.464","0.003","67.014","0.002","2234.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Gd N7 O18 -","- C40 H42 Gd N7 O18 -","- C80 H84 Gd2 N14 O36 -","2","1","","Xue-Qin Song; Ding-Ye Xing; Yao-Kun Lei; Meng-Meng Zhao; Guo-Quan Cheng; Xiao-Run Wang; Yun-Qiao Peng","Lanthanide coordination polymers constructed by a new semirigid bridging salicylamide ligand: Synthesis, supramolecular structure and luminescence properties","Inorganica Chimica Acta","2013","404","","113","122","","","","0.71073","MoKα","","0.0407","0.033","","","0.0752","0.0795","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517690","8.9887","0.0008","11.8538","0.0011","21.5884","0.0018","87.072","0.001","86.772","0.002","83.768","0.002","2280.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H48 N7 Nd O19 -","- C39 H48 N7 Nd O19 -","- C78 H96 N14 Nd2 O38 -","2","1","","Xue-Qin Song; Ding-Ye Xing; Yao-Kun Lei; Meng-Meng Zhao; Guo-Quan Cheng; Xiao-Run Wang; Yun-Qiao Peng","Lanthanide coordination polymers constructed by a new semirigid bridging salicylamide ligand: Synthesis, supramolecular structure and luminescence properties","Inorganica Chimica Acta","2013","404","","113","122","","","","0.71073","MoKα","","0.0365","0.032","","","0.0797","0.0828","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517691","8.9715","0.0006","11.8067","0.0008","21.5722","0.0015","86.748","0.002","86.793","0.002","83.669","0.001","2264.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H48 N7 O19 Sm -","- C39 H48 N7 O19 Sm -","- C78 H96 N14 O38 Sm2 -","2","1","","Xue-Qin Song; Ding-Ye Xing; Yao-Kun Lei; Meng-Meng Zhao; Guo-Quan Cheng; Xiao-Run Wang; Yun-Qiao Peng","Lanthanide coordination polymers constructed by a new semirigid bridging salicylamide ligand: Synthesis, supramolecular structure and luminescence properties","Inorganica Chimica Acta","2013","404","","113","122","","","","0.71073","MoKα","","0.0476","0.0393","","","0.0922","0.0969","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517692","13.9646","0.0018","13.9853","0.0018","19.18","0.002","89.865","0.002","69.684","0.001","73.887","0.001","3356.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H62 N16 O14 Zn -","- C70 H62 N16 O14 Zn -","- C140 H124 N32 O28 Zn2 -","2","1","","Huilu Wu; Jingkun Yuan; Yanhui Zhang; Furong Shi; Guolong Pan; Jin Kong; Xuyang Fan","Synthesis, crystal structure, DNA-binding properties and antioxidant activity of zinc(II) complexes based on the V-shaped bis(2-benzimidazol-2-ylmethyl)benzylamine ligand and its derivative","Inorganica Chimica Acta","2013","404","","13","22","","","","0.71073","MoKα","","0.0908","0.053","","","0.132","0.1578","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517693","9.0858","0.0019","14.183","0.003","27.894","0.006","97.17","0.003","90.767","0.003","97.217","0.003","3536.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H58 N18 O15 Zn -","- C66 H58 N18 O15 Zn -","- C132 H116 N36 O30 Zn2 -","2","1","","Huilu Wu; Jingkun Yuan; Yanhui Zhang; Furong Shi; Guolong Pan; Jin Kong; Xuyang Fan","Synthesis, crystal structure, DNA-binding properties and antioxidant activity of zinc(II) complexes based on the V-shaped bis(2-benzimidazol-2-ylmethyl)benzylamine ligand and its derivative","Inorganica Chimica Acta","2013","404","","13","22","","","","0.71073","MoKα","","0.1327","0.0621","","","0.1378","0.1603","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517694","9.818","0.003","9.927","0.0013","10.167","0.0017","95.328","0.014","107.362","0.016","91.174","0.015","940.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 5-(2-(bis(ethylthio)methylidene)hydrazino)-3,5-dimethyl- 2-pyrazoline-1-carbodithioate","","- C13 H24 N4 S4 -","- C13 H24 N4 S4 -","- C26 H48 N8 S8 -","2","1","","Roberto Centore; Reza Takjoo; Amedeo Capobianco; Andrea Peluso","Ring to open-chain transformation induced by selective metal coordination in a new dithiocarbazate ligand","Inorganica Chimica Acta","2013","404","","29","33","","","x-ray","0.71073","MoKα","","0.0585","0.0453","","","0.1124","0.1272","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517695","9.226","0.001","10.887","0.0009","10.889","0.0012","101.86","0.008","103.053","0.008","112.758","0.007","928.83","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(3-(2-(bis(ethylthio)methylidene)hydrazono)methylbutylidene) hydrazinecarbodithioato-nickel(II)","","- C13 H22 N4 Ni S4 -","- C13 H22 N4 Ni S4 -","- C26 H44 N8 Ni2 S8 -","2","1","","Roberto Centore; Reza Takjoo; Amedeo Capobianco; Andrea Peluso","Ring to open-chain transformation induced by selective metal coordination in a new dithiocarbazate ligand","Inorganica Chimica Acta","2013","404","","29","33","","","x-ray","0.71073","MoKα","","0.0558","0.0317","","","0.0596","0.0672","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517696","9.187","0.0009","10.644","0.0009","11.177","0.0005","101.178","0.005","103.003","0.004","112.164","0.007","938.01","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2-(3-(2-((bis(ethylthio)methylidene)hydrazono)methylbutylidene) hydrazinecarbodithioato-palladium(II)","","- C13 H22 N4 Pd S4 -","- C13 H22 N4 Pd S4 -","- C26 H44 N8 Pd2 S8 -","2","1","","Roberto Centore; Reza Takjoo; Amedeo Capobianco; Andrea Peluso","Ring to open-chain transformation induced by selective metal coordination in a new dithiocarbazate ligand","Inorganica Chimica Acta","2013","404","","29","33","","","x-ray","0.71073","MoKα","","0.043","0.0286","","","0.0632","0.0699","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517697","14.443","0.003","14.416","0.003","13.379","0.003","90","","95.96","0.03","90","","2770.6","1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cr2 N16 Ni O6 -","- C50 H52 Cr2 N16 Ni O6 -","- C100 H104 Cr4 N32 Ni2 O12 -","2","0.5","","Hui Chen; Bao-Xi Miao; Li-Fang Zhang; Guo-Ling Li; Zhong-Hai Ni","Syntheses, crystal structures, and magnetic properties of a series of cyanide-bridged trinuclear chromate(III)-nickel(II)-chromate(III) complexes based on dicyanidechromate(III) building blocks","Inorganica Chimica Acta","2013","404","","34","39","","","","0.71073","MoKα","","0.0383","0.035","","","0.0816","0.0834","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517699","15.671","0.003","13.591","0.003","12.821","0.003","90","","92.78","0.03","90","","2727.5","1","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H54 Cl2 Cr2 N16 Ni O8 -","- C50 H54 Cl2 Cr2 N16 Ni O8 -","- C100 H108 Cl4 Cr4 N32 Ni2 O16 -","2","0.5","","Hui Chen; Bao-Xi Miao; Li-Fang Zhang; Guo-Ling Li; Zhong-Hai Ni","Syntheses, crystal structures, and magnetic properties of a series of cyanide-bridged trinuclear chromate(III)-nickel(II)-chromate(III) complexes based on dicyanidechromate(III) building blocks","Inorganica Chimica Acta","2013","404","","34","39","","","","0.71073","MoKα","","0.0822","0.0799","","","0.2138","0.2157","","","","","","1.213","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517700","15.716","0.003","13.648","0.003","12.753","0.003","90","","93.04","0.03","90","","2731.6","1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Cr2 N16 Ni O8 -","- C52 H60 Cr2 N16 Ni O8 -","- C104 H120 Cr4 N32 Ni2 O16 -","2","0.5","","Hui Chen; Bao-Xi Miao; Li-Fang Zhang; Guo-Ling Li; Zhong-Hai Ni","Syntheses, crystal structures, and magnetic properties of a series of cyanide-bridged trinuclear chromate(III)-nickel(II)-chromate(III) complexes based on dicyanidechromate(III) building blocks","Inorganica Chimica Acta","2013","404","","34","39","","","","0.71073","MoKα","","0.0686","0.0674","","","0.1715","0.1726","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517701","9.0535","0.0018","14.211","0.003","20.331","0.004","90","","90.37","0.03","90","","2615.7","0.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H56 Cr2 N16 Ni O4 -","- C54 H56 Cr2 N16 Ni O4 -","- C108 H112 Cr4 N32 Ni2 O8 -","2","0.5","","Hui Chen; Bao-Xi Miao; Li-Fang Zhang; Guo-Ling Li; Zhong-Hai Ni","Syntheses, crystal structures, and magnetic properties of a series of cyanide-bridged trinuclear chromate(III)-nickel(II)-chromate(III) complexes based on dicyanidechromate(III) building blocks","Inorganica Chimica Acta","2013","404","","34","39","","","","0.71073","MoKα","","0.0488","0.0457","","","0.1362","0.1406","","","","","","0.948","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517702","10.793","0.002","12.864","0.003","13.536","0.003","80.83","0.03","79.02","0.03","87.53","0.03","1821.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H70 N8 Ni2 O30 -","- C72 H70 N8 Ni2 O30 -","- C72 H70 N8 Ni2 O30 -","1","0.5","","Hong-Lin Zhu; Jin-Li Qi; Jian-Li Lin; Wei Xu; Jiang Wu; Yue-Qing Zheng","Novel topological supramolecular architectures based on partially protonated butane-1,2,3,4-tetracarboxylato complexes: Synthesis, structures and magnetic properties","Inorganica Chimica Acta","2013","404","","49","57","","","","0.71073","MoKα","","0.1573","0.066","","","0.1502","0.24","","","","","","1.164","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517703","10.161","0.002","10.377","0.002","16.554","0.003","102.07","0.03","95.86","0.03","112.31","0.03","1547","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Cu N4 O13 -","- C32 H34 Cu N4 O13 -","- C64 H68 Cu2 N8 O26 -","2","1","","Hong-Lin Zhu; Jin-Li Qi; Jian-Li Lin; Wei Xu; Jiang Wu; Yue-Qing Zheng","Novel topological supramolecular architectures based on partially protonated butane-1,2,3,4-tetracarboxylato complexes: Synthesis, structures and magnetic properties","Inorganica Chimica Acta","2013","404","","49","57","","","","0.71073","MoKα","","0.0383","0.0332","","","0.0858","0.0891","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517704","10.883","0.002","11.419","0.002","12.549","0.003","63.59","0.03","88.3","0.03","71.96","0.03","1317.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cu N4 O9 -","- C28 H26 Cu N4 O9 -","- C56 H52 Cu2 N8 O18 -","2","1","","Hong-Lin Zhu; Jin-Li Qi; Jian-Li Lin; Wei Xu; Jiang Wu; Yue-Qing Zheng","Novel topological supramolecular architectures based on partially protonated butane-1,2,3,4-tetracarboxylato complexes: Synthesis, structures and magnetic properties","Inorganica Chimica Acta","2013","404","","49","57","","","","0.71073","MoKα","","0.04","0.0325","","","0.0903","0.1027","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517705","7.4381","0.0001","11.6257","0.0002","23.9731","0.0005","90","","90","","90","","2073.03","0.06","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H20 Cl2 N8 O2 Zn -","- C16 H20 Cl2 N8 O2 Zn -","- C64 H80 Cl8 N32 O8 Zn4 -","4","0.5","","Bozidar Cobeljic; Andrej Pevec; Iztok Turel; Marcel Swart; Dragana Mitic; Marina Milenkovic; Ivanka Markovic; Maja Jovanovic; Dusan Sladic; Marko Jeremic; Katarina Andelkovic","Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide","Inorganica Chimica Acta","2013","404","","5","12","","","","0.71073","MoKα","","0.0484","0.0315","","","0.0767","0.084","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517706","6.6772","0.0003","8.9768","0.0003","11.07","0.0005","113.504","0.002","94.574","0.003","100.428","0.003","589.88","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H15 Cl N4 O3 -","- C8 H15 Cl N4 O3 -","- C16 H30 Cl2 N8 O6 -","2","1","","Bozidar Cobeljic; Andrej Pevec; Iztok Turel; Marcel Swart; Dragana Mitic; Marina Milenkovic; Ivanka Markovic; Maja Jovanovic; Dusan Sladic; Marko Jeremic; Katarina Andelkovic","Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide","Inorganica Chimica Acta","2013","404","","5","12","","","","0.71073","MoKα","","0.0682","0.0571","","","0.153","0.1594","","","","","","1.178","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517707","4.7804","0.0002","9.9478","0.0003","26.2508","0.001","90","","93.338","0.003","90","","1246.22","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl N3 O3 -","- C10 H16 Cl N3 O3 -","- C40 H64 Cl4 N12 O12 -","4","1","","Bozidar Cobeljic; Andrej Pevec; Iztok Turel; Marcel Swart; Dragana Mitic; Marina Milenkovic; Ivanka Markovic; Maja Jovanovic; Dusan Sladic; Marko Jeremic; Katarina Andelkovic","Synthesis, characterization, DFT calculations and biological activity of derivatives of 3-acetylpyridine and the zinc(II) complex with the condensation product of 3-acetylpyridine and semicarbazide","Inorganica Chimica Acta","2013","404","","5","12","","","","0.71073","MoKα","","0.0507","0.0382","","","0.1026","0.1095","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517708","11.7251","0.001","16.2997","0.0015","23.166","0.002","90","","92.732","0.005","90","","4422.4","0.7","100","0.5","100","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H45.96 Cl0.04 N2 O7 P2 Ru -","- C51 H43.962 Cl0.038 N2 O7 P2 Ru -","- C204 H175.848 Cl0.152 N8 O28 P8 Ru4 -","4","1","","Thangavel Sathiya Kamatchi; Nataraj Chitrapriya; V.S. Jamal Ahamed; Surk-Sik Moon; Frank R. Fronczek; Karuppannan Natarajan","Ruthenium(II) complexes of 2,2'-bipyridine-5,5'-dicarboxylic acid: Synthesis, structure, DNA binding, cytotoxicity and antioxidant activity","Inorganica Chimica Acta","2013","404","","58","67","","","","0.71073","MoKα","","0.0704","0.0427","","","0.0939","0.1046","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517709","17.128","0.0005","10.0072","0.0003","22.2536","0.0007","90","","124.472","0.002","90","","3144.55","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Ni P S10 -","- C26 H20 Ni P S10 -","- C104 H80 Ni4 P4 S40 -","4","1","","Lutong Jin; Xitao Liu; Xinqiang Wang; Luning Wang; Guanghui Zhang; Luyi Zhu, Dong Xu","Magnetic dimer and tetramer based on dmit - Preparation, crystal structures, physicochemical characterization and magnetic properties","Inorganica Chimica Acta","2013","404","","68","76","","","","0.71073","MoKα","","0.1184","0.0422","","","0.0721","0.0915","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517710","10.215","0.006","10.546","0.007","11.07","0.006","107.371","0.014","94.289","0.012","105.567","0.018","1080.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H12 O7 P Re2 -","- C19 H12 O7 P Re2 -","- C38 H24 O14 P2 Re4 -","2","1","","Yomaira Otero; Alejandro Arce; Ysaura De Sanctis; Ruben Machado; Maria C. Goite; Teresa Gonzalez; Alexander Briceno","High versatility of 3,4-dimethyl-1-phenyl-phosphole and 3-methyl-1-phenyl-phosphole as ligands in the reaction with [Re2(CO)8(CH3CN)2] and [Ru3(CO)12]: X-ray structures of [Re2(CO)7(n1:n2:n2-PhPC4H2Me2)], [Re2(CO)7(n1:n2:n2-PhPC4H3Me)] and [Ru2(CO)4(PhPC4H3Me)2]","Inorganica Chimica Acta","2013","404","","77","81","","","","0.7107","MoKα","","0.0567","0.0487","","","0.1154","0.1216","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517711","9.94","0.006","10.231","0.006","11.207","0.006","105.597","0.004","92.002","0.015","108.791","0.017","1030","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H11 O7 P Re2 -","- C18 H11 O7 P Re2 -","- C36 H22 O14 P2 Re4 -","2","1","","Yomaira Otero; Alejandro Arce; Ysaura De Sanctis; Ruben Machado; Maria C. Goite; Teresa Gonzalez; Alexander Briceno","High versatility of 3,4-dimethyl-1-phenyl-phosphole and 3-methyl-1-phenyl-phosphole as ligands in the reaction with [Re2(CO)8(CH3CN)2] and [Ru3(CO)12]: X-ray structures of [Re2(CO)7(n1:n2:n2-PhPC4H2Me2)], [Re2(CO)7(n1:n2:n2-PhPC4H3Me)] and [Ru2(CO)4(PhPC4H3Me)2]","Inorganica Chimica Acta","2013","404","","77","81","","","","0.7107","MoKα","","0.0604","0.0505","","","0.1269","0.137","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517712","15.571","0.009","15.571","0.009","12.103","0.008","90","","90","","90","","2934","3","293","2","293","2","","","","","","","Synthesis","5","I 4/m","-I 4","87","","","","- C29 H20 O4 P2 Ru2 -","- C26 H14 O4 P2 Ru2 -","- C104 H56 O16 P8 Ru8 -","4","0.25","","Yomaira Otero; Alejandro Arce; Ysaura De Sanctis; Ruben Machado; Maria C. Goite; Teresa Gonzalez; Alexander Briceno","High versatility of 3,4-dimethyl-1-phenyl-phosphole and 3-methyl-1-phenyl-phosphole as ligands in the reaction with [Re2(CO)8(CH3CN)2] and [Ru3(CO)12]: X-ray structures of [Re2(CO)7(n1:n2:n2-PhPC4H2Me2)], [Re2(CO)7(n1:n2:n2-PhPC4H3Me)] and [Ru2(CO)4(PhPC4H3Me)2]","Inorganica Chimica Acta","2013","404","","77","81","","","","0.7107","MoKα","","0.1085","0.0911","","","0.2387","0.2572","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1517713","10.2529","0.001","18.4214","0.0008","13.089","0.003","90","","105.047","0.016","90","","2387.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N4 Ni O2 S2 -","- C24 H30 N4 Ni O2 S2 -","- C96 H120 N16 Ni4 O8 S8 -","4","1","","N. Selvakumaran; A. Pratheepkumar; S.W. Ng; Edward R.T. Tiekink; R. Karvembu","Synthesis, structural characterization and cytotoxicity of nickel(II) complexes containing 3,3-dialkyl/aryl-1-benzoylthiourea ligands","Inorganica Chimica Acta","2013","404","","82","87","","","","0.71073","MoKα","","0.0536","0.0385","","","0.0795","0.0894","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517714","9.7758","0.0004","10.8929","0.0005","15.5932","0.0006","78.955","0.003","89.999","0.003","83.498","0.003","1618.83","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H46 N4 Ni O2 S2 -","- C32 H46 N4 Ni O2 S2 -","- C64 H92 N8 Ni2 O4 S4 -","2","1","","N. Selvakumaran; A. Pratheepkumar; S.W. Ng; Edward R.T. Tiekink; R. Karvembu","Synthesis, structural characterization and cytotoxicity of nickel(II) complexes containing 3,3-dialkyl/aryl-1-benzoylthiourea ligands","Inorganica Chimica Acta","2013","404","","82","87","","","","0.71073","MoKα","","0.0452","0.0345","","","0.0767","0.083","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517715","13.1481","0.0003","13.1481","0.0003","19.6476","0.0006","90","","90","","90","","3396.53","0.15","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C32 H46 N4 Ni O2 S2 -","- C32 H46 N4 Ni O2 S2 -","- C128 H184 N16 Ni4 O8 S8 -","4","0.5","","N. Selvakumaran; A. Pratheepkumar; S.W. Ng; Edward R.T. Tiekink; R. Karvembu","Synthesis, structural characterization and cytotoxicity of nickel(II) complexes containing 3,3-dialkyl/aryl-1-benzoylthiourea ligands","Inorganica Chimica Acta","2013","404","","82","87","","","","0.71073","MoKα","","0.036","0.0319","","","0.073","0.0771","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517716","8.6454","0.0005","14.3954","0.0008","14.9911","0.0008","90","","90","","90","","1865.7","0.18","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H24 Cl2 Cu N4 O9 -","- C8 H24 Cl2 Cu N4 O9 -","- C32 H96 Cl8 Cu4 N16 O36 -","4","1","","Pankaj Kumar; Apurba Kalita; Biplab Mondal","Nitric oxide sensors based on copper(II) complexes of N-donor ligands","Inorganica Chimica Acta","2013","404","","88","96","","","","0.71073","MoKα","","0.0951","0.0735","","","0.1982","0.2114","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517717","9.1118","0.0002","9.2782","0.0002","22.1845","0.0006","90","","100.041","0.001","90","","1846.78","0.08","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Cl2 Cu N3 O10 -","- C10 H19 Cl2 Cu N3 O10 -","- C40 H76 Cl8 Cu4 N12 O40 -","4","1","","Pankaj Kumar; Apurba Kalita; Biplab Mondal","Nitric oxide sensors based on copper(II) complexes of N-donor ligands","Inorganica Chimica Acta","2013","404","","88","96","","","","0.71073","MoKα","","0.0526","0.0402","","","0.118","0.1263","","","","","","0.854","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517718","7.6514","0.0007","20.2928","0.0019","16.6137","0.0015","90","","97.183","0.001","90","","2559.3","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H19 Cd2 N3 O10 -","- C27 H19 Cd2 N3 O10 -","- C108 H76 Cd8 N12 O40 -","4","1","","Julie A. Wilson; Peter E. Kraft; Robert L. LaDuca","Dipyridylamide isomer influenced dimensionality in luminescent cadmium phthalate coordination polymers with similar tetranuclear clusters and ribbon motifs","Inorganica Chimica Acta","2013","404","","97","104","","","","0.71073","MoKα","","0.0391","0.0279","","","0.0595","0.0642","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517719","7.4378","0.0005","20.871","0.0014","33.529","0.002","90","","90","","90","","5204.9","0.6","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H19.5 Cd2 N3 O10.25 -","- C27 H19 Cd2 N3 O10.125 -","- C216 H152 Cd16 N24 O81 -","8","1","","Julie A. Wilson; Peter E. Kraft; Robert L. LaDuca","Dipyridylamide isomer influenced dimensionality in luminescent cadmium phthalate coordination polymers with similar tetranuclear clusters and ribbon motifs","Inorganica Chimica Acta","2013","404","","97","104","","","","0.71073","MoKα","","0.0383","0.0286","","","0.0625","0.0667","","","","","","1.036","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517748","22.307","0.003","14.9475","0.0013","16.772","0.0014","90","","102.34","0.011","90","","5463.2","1","150","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 F6 N7 O5 P Ru -","- C24 H20 F6 N7 O5 P Ru -","- C192 H160 F48 N56 O40 P8 Ru8 -","8","1","","Namrata Dixit; Stanislav Zalis; Biswajit Maiti; Lallan Mishra","Reversible and pH dependent photophysical properties of mixed-ligand Ru(II) complexes containing 2,2'-bipyridine and nitrosobarbiturate: Experimental and theoretical approach","Inorganica Chimica Acta","2013","404","","123","130","","","","0.71073","MoKα","","0.0963","0.0574","","","0.1392","0.1762","","","","","","0.946","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517749","24.304","0.003","13.7744","0.001","16.6877","0.0019","90","","118.214","0.016","90","","4922.8","1.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N7 O5.5 Ru -","- C24 H16 N7 O5.5 Ru -","- C192 H128 N56 O44 Ru8 -","8","1","","Namrata Dixit; Stanislav Zalis; Biswajit Maiti; Lallan Mishra","Reversible and pH dependent photophysical properties of mixed-ligand Ru(II) complexes containing 2,2'-bipyridine and nitrosobarbiturate: Experimental and theoretical approach","Inorganica Chimica Acta","2013","404","","123","130","","","","0.71073","MoKα","","0.0876","0.0582","","","0.1692","0.1787","","","","","","0.978","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517750","18.935","0.008","8.953","0.003","11.004","0.004","90","","109.586","0.015","90","","1757.5","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Cu I N2 -","- C7 H7 Cu I N2 -","- C56 H56 Cu8 I8 N16 -","8","1","","Anindita Mukherjee; Amal Dutta; Atish Dipankar Jana; Goutam K. Patra","Copper(I) and silver(I) coordination assemblies of imino-pyridyl and azino-pyridyl ligands: Syntheses, crystal structures, spectroscopic and photophysical properties","Inorganica Chimica Acta","2013","404","","131","143","","","","0.71073","MoKα","","0.0406","0.0291","","","0.0691","0.073","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517751","9.789","0.008","13.647","0.012","13.969","0.017","90","","106.053","0.018","90","","1793","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Cu I N2 -","- C7 H7 Cu I N2 -","- C56 H56 Cu8 I8 N16 -","8","1","","Anindita Mukherjee; Amal Dutta; Atish Dipankar Jana; Goutam K. Patra","Copper(I) and silver(I) coordination assemblies of imino-pyridyl and azino-pyridyl ligands: Syntheses, crystal structures, spectroscopic and photophysical properties","Inorganica Chimica Acta","2013","404","","131","143","","","","0.71073","MoKα","","0.0466","0.0294","","","0.0556","0.0619","","","","","","0.931","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517752","7.778","0.003","7.996","0.003","8.223","0.003","117.415","0.003","91.385","0.004","109.241","0.005","419.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Cu I N2 -","- C7 H7 Cu I N2 -","- C14 H14 Cu2 I2 N4 -","2","1","","Anindita Mukherjee; Amal Dutta; Atish Dipankar Jana; Goutam K. Patra","Copper(I) and silver(I) coordination assemblies of imino-pyridyl and azino-pyridyl ligands: Syntheses, crystal structures, spectroscopic and photophysical properties","Inorganica Chimica Acta","2013","404","","131","143","","","","0.71073","MoKα","","0.0368","0.0278","","","0.0783","0.1024","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517753","8.643","0.002","10.663","0.003","15.891","0.004","91.695","0.007","97.146","0.006","104.419","0.006","1404.6","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cu I N6 -","- C26 H20 Cu I N6 -","- C52 H40 Cu2 I2 N12 -","2","1","","Anindita Mukherjee; Amal Dutta; Atish Dipankar Jana; Goutam K. Patra","Copper(I) and silver(I) coordination assemblies of imino-pyridyl and azino-pyridyl ligands: Syntheses, crystal structures, spectroscopic and photophysical properties","Inorganica Chimica Acta","2013","404","","131","143","","","","0.71073","MoKα","","0.0363","0.0277","","","0.0667","0.07","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517754","10.4488","0.0011","11.1247","0.0011","11.2975","0.0012","105.677","0.002","91.472","0.002","103.078","0.002","1226.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 Ag N6 O3 -","- C26 H20 Ag N7 O3 -","- C52 H40 Ag2 N14 O6 -","2","1","","Anindita Mukherjee; Amal Dutta; Atish Dipankar Jana; Goutam K. Patra","Copper(I) and silver(I) coordination assemblies of imino-pyridyl and azino-pyridyl ligands: Syntheses, crystal structures, spectroscopic and photophysical properties","Inorganica Chimica Acta","2013","404","","131","143","","","","0.71073","MoKα","","0.0417","0.0351","","","0.1259","0.1359","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517755","12.5891","0.0019","12.5922","0.0018","21.591","0.003","92.809","0.003","95.08","0.003","112.417","0.003","3138.9","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H57 Ag Cl N16 O4 -","- C64 H57 Ag Cl N16 O4 -","- C128 H114 Ag2 Cl2 N32 O8 -","2","1","","Anindita Mukherjee; Amal Dutta; Atish Dipankar Jana; Goutam K. Patra","Copper(I) and silver(I) coordination assemblies of imino-pyridyl and azino-pyridyl ligands: Syntheses, crystal structures, spectroscopic and photophysical properties","Inorganica Chimica Acta","2013","404","","131","143","","","","0.71073","MoKα","","0.0697","0.047","","","0.1187","0.1331","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517756","11.3583","0.0007","18.9687","0.0007","11.4532","0.0005","90","","109.69","0.005","90","","2323.3","0.2","295","0.2","295","0.2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H40 Cl2 N4 O3 P2 Re2 -","- C50 H40 Cl2 N4 O3 P2 Re2 -","- C100 H80 Cl4 N8 O6 P4 Re4 -","2","1","","B. Machura; M. Wolff; J. Palion; E. Benoist","Synthesis, spectroscopic characterization and X-ray crystal structures of mononuclear and binuclear oxidorhenium(V) complexes containing indazolyl moieties","Inorganica Chimica Acta","2013","404","","144","154","","","","0.71073","MoKα","","0.0436","0.0375","","","0.0728","0.0759","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517757","12.1446","0.0003","13.1375","0.0003","17.3433","0.0005","108.395","0.002","105.024","0.002","101.706","0.0018","2410.51","0.12","295","0.2","295","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Cl2 N4 O3 P2 Re2 -","- C50 H40 Cl2 N4 O3 P2 Re2 -","- C100 H80 Cl4 N8 O6 P4 Re4 -","2","1","","B. Machura; M. Wolff; J. Palion; E. Benoist","Synthesis, spectroscopic characterization and X-ray crystal structures of mononuclear and binuclear oxidorhenium(V) complexes containing indazolyl moieties","Inorganica Chimica Acta","2013","404","","144","154","","","","0.71073","MoKα","","0.0431","0.0314","","","0.0739","0.0784","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517758","7.7185","0.0004","8.1845","0.0004","43.553","0.003","90","","90","","90","","2751.3","0.3","295","0.2","295","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 Cl2 N2 O2 P Re -","- C28 H26 Cl2 N2 O2 P Re -","- C112 H104 Cl8 N8 O8 P4 Re4 -","4","1","","B. Machura; M. Wolff; J. Palion; E. Benoist","Synthesis, spectroscopic characterization and X-ray crystal structures of mononuclear and binuclear oxidorhenium(V) complexes containing indazolyl moieties","Inorganica Chimica Acta","2013","404","","144","154","","","","0.71073","MoKα","","0.0752","0.0584","","","0.0951","0.0997","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517759","8.5245","0.0017","8.536","0.0016","10.7494","0.0019","83.933","0.008","79.358","0.008","85.138","0.008","762.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N4 Se2 -","- C14 H18 N4 Se2 -","- C28 H36 N8 Se4 -","2","1","","Jaspreet S. Dhau; Rupy Dhir; Amritpal Singh; Paula Brandao; Vitor Felix","Synthesis and characterization of 4-(dimethylaminopyridyl)chalcogenides (Se, Te): X-ray structure of bis(4-dimethylamino-2-pyridyl) diselenide, bis(4-dimethylamino-2-pyridylselenenyl)methane and 4-dimethylamino-2,6-bis(methylselenenyl)pyridine","Inorganica Chimica Acta","2013","404","","160","166","","","","0.71073","MoKα","","0.052","0.0459","","","0.139","0.1418","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517760","7.4142","0.0003","7.7316","0.0003","14.454","0.0006","81.651","0.002","81.408","0.002","87.776","0.002","810.45","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H20 N4 Se2 -","- C15 H20 N4 Se2 -","- C30 H40 N8 Se4 -","2","1","","Jaspreet S. Dhau; Rupy Dhir; Amritpal Singh; Paula Brandao; Vitor Felix","Synthesis and characterization of 4-(dimethylaminopyridyl)chalcogenides (Se, Te): X-ray structure of bis(4-dimethylamino-2-pyridyl) diselenide, bis(4-dimethylamino-2-pyridylselenenyl)methane and 4-dimethylamino-2,6-bis(methylselenenyl)pyridine","Inorganica Chimica Acta","2013","404","","160","166","","","","0.71073","MoKα","","0.0231","0.0194","","","0.0487","0.0505","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517761","5.853","0.0003","12.4563","0.0006","15.4425","0.0008","90","","90","","90","","1125.86","0.1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 Se2 -","- C9 H14 N2 Se2 -","- C36 H56 N8 Se8 -","4","1","","Jaspreet S. Dhau; Rupy Dhir; Amritpal Singh; Paula Brandao; Vitor Felix","Synthesis and characterization of 4-(dimethylaminopyridyl)chalcogenides (Se, Te): X-ray structure of bis(4-dimethylamino-2-pyridyl) diselenide, bis(4-dimethylamino-2-pyridylselenenyl)methane and 4-dimethylamino-2,6-bis(methylselenenyl)pyridine","Inorganica Chimica Acta","2013","404","","160","166","","","","0.71073","MoKα","","0.0272","0.0211","","","0.0486","0.05","","","","","","1.082","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517762","14.488","0.0005","6.8633","0.0002","20.4926","0.0007","90","","98.304","0.001","90","","2016.33","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N O2 P -","- C25 H20 N O2 P -","- C100 H80 N4 O8 P4 -","4","1","","Diana V. Aleksanyan; Valentina Yu. Aleksenko; Yulia V. Nelyubina; Andrei A. Vasil-ev; Rinat R. Aysin; Zinaida S. Klemenkova; Vladimir A. Kozlov; Pavel V. Petrovskii; Irina L. Odinets","Monoanionic salicylaldimine ligands with (thio)phosphoryl pendant arms: Synthesis and complexing features","Inorganica Chimica Acta","2013","404","","167","174","","","","0.71073","MoKα","","0.0452","0.0366","","","0.0978","0.106","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517763","9.0915","0.0003","14.2722","0.0004","18.4424","0.0006","90","","90","","90","","2393.01","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H19 N O5 P Re -","- C28 H19 N O5 P Re -","- C112 H76 N4 O20 P4 Re4 -","4","1","","Diana V. Aleksanyan; Valentina Yu. Aleksenko; Yulia V. Nelyubina; Andrei A. Vasil-ev; Rinat R. Aysin; Zinaida S. Klemenkova; Vladimir A. Kozlov; Pavel V. Petrovskii; Irina L. Odinets","Monoanionic salicylaldimine ligands with (thio)phosphoryl pendant arms: Synthesis and complexing features","Inorganica Chimica Acta","2013","404","","167","174","","","","0.71073","MoKα","","0.0188","0.0175","","","0.0364","0.0367","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517764","8.3886","0.0015","11.599","0.002","14.078","0.004","105.217","0.005","105.536","0.005","106.086","0.004","1181.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H38 Cl4 N2 O4 P2 Pd -","- C50 H38 N2 O4 P2 Pd -","- C50 H38 N2 O4 P2 Pd -","1","0.5","","Diana V. Aleksanyan; Valentina Yu. Aleksenko; Yulia V. Nelyubina; Andrei A. Vasil-ev; Rinat R. Aysin; Zinaida S. Klemenkova; Vladimir A. Kozlov; Pavel V. Petrovskii; Irina L. Odinets","Monoanionic salicylaldimine ligands with (thio)phosphoryl pendant arms: Synthesis and complexing features","Inorganica Chimica Acta","2013","404","","167","174","","","","0.71073","MoKα","","0.0559","0.0427","","","0.0952","0.1022","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517765","28.7944","0.0018","9.7914","0.0006","18.0302","0.0011","90","","100.461","0.001","90","","4998.9","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl N2 O P Pd S -","- C27 H22 Cl N2 O P Pd S -","- C216 H176 Cl8 N16 O8 P8 Pd8 S8 -","8","2","","Diana V. Aleksanyan; Valentina Yu. Aleksenko; Yulia V. Nelyubina; Andrei A. Vasil-ev; Rinat R. Aysin; Zinaida S. Klemenkova; Vladimir A. Kozlov; Pavel V. Petrovskii; Irina L. Odinets","Monoanionic salicylaldimine ligands with (thio)phosphoryl pendant arms: Synthesis and complexing features","Inorganica Chimica Acta","2013","404","","167","174","","","","0.71073","MoKα","","0.0836","0.049","","","0.1","0.1157","","","","","","1.001","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517766","9.4396","0.0009","11.8274","0.0011","12.3009","0.0011","61.711","0.003","76.08","0.002","85.684","0.002","1172.6","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 N2 Ni O8 P2 -","- C54 H52.8 N2 Ni O8 P2 -","- C54 H52.8 N2 Ni O8 P2 -","1","0.5","","Diana V. Aleksanyan; Valentina Yu. Aleksenko; Yulia V. Nelyubina; Andrei A. Vasil-ev; Rinat R. Aysin; Zinaida S. Klemenkova; Vladimir A. Kozlov; Pavel V. Petrovskii; Irina L. Odinets","Monoanionic salicylaldimine ligands with (thio)phosphoryl pendant arms: Synthesis and complexing features","Inorganica Chimica Acta","2013","404","","167","174","","","","0.71073","MoKα","","0.087","0.0485","","","0.1018","0.1181","","","","","","1.002","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517767","11.1666","0.0006","25.646","0.0012","11.1679","0.0006","90","","99.532","0.002","90","","3154.1","0.3","100","1","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H68 O32 Zr7 -","- C54 H68 O32 Zr7 -","- C108 H136 O64 Zr14 -","2","1","","Lars Orzechowski; Joachim Roll","Synthesis and Crystal Structure of [Cp3Zr3(u2-O2CH)3(u2-OH)3(u3-O)]2 [CpZr(O2CH)5] and [Cp3Zr3(u2-O2CH)3(u2-OH)3(u3-O)] [B(C6F5)4]","Inorganica Chimica Acta","2013","404","","192","196","","","","0.71073","MoKα","","0.0197","0.0191","","","0.0415","0.0417","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517768","15.2956","0.0007","15.6974","0.0007","17.2726","0.0013","96.136","0.002","109.816","0.002","118.556","0.001","3240.4","0.3","100","1","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H58 B Cl2 F20 O13.5 Zr3 -","- C56 H56 B F20 O13.5 Zr3 -","- C112 H112 B2 F40 O27 Zr6 -","2","1","","Lars Orzechowski; Joachim Roll","Synthesis and Crystal Structure of [Cp3Zr3(u2-O2CH)3(u2-OH)3(u3-O)]2 [CpZr(O2CH)5] and [Cp3Zr3(u2-O2CH)3(u2-OH)3(u3-O)] [B(C6F5)4]","Inorganica Chimica Acta","2013","404","","192","196","","","","0.71073","MoKα","","0.0338","0.0282","","","0.0714","0.0748","","","","","","1.057","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517769","14.094","0.001","21.8826","0.0016","12.0521","0.0009","90","","90","","90","","3717","0.5","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H13 N3 Nd O8 -","- C18 H11 N3 Nd O8 -","- C144 H88 N24 Nd8 O64 -","8","1","","Long-fei Yuan; Jun Li; Rui-ping Liu; Bin Liu; Hui Guo; Feng-xing Zhang","A novel 2D sandwich layered neodymium coordination polymer based on 2,2'-bipyridyl-4,4'-dicarboxylate ligand","Inorganica Chimica Acta","2013","404","","197","200","","","","0.71073","MoKα","","0.0501","0.0476","","","0.1374","0.1392","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517770","7.5071","0.0015","13.077","0.003","13.528","0.003","83","0.03","88.99","0.03","82.75","0.03","1307.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 I N3 O8 Zn -","- C25 H23 I N3 O8 Zn -","- C50 H46 I2 N6 O16 Zn2 -","2","1","","Yan Zhao; Lu-Lu He; Hong Xu; Xiao-Yuan Li; Shuang-Quan Zang","Two metal-organic coordination polymers assembled from a flexible iodo-dicarboxylate ligand and N-donor ancillary ligands","Inorganica Chimica Acta","2013","404","","201","205","","","","0.71073","MoKα","","0.062","0.0479","","","0.1126","0.1225","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517771","8.0493","0.0016","10.738","0.002","13.318","0.003","76.78","0.03","74.11","0.03","83.85","0.03","1076.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 I N2 O6 Zn -","- C22 H17 I N2 O6 Zn -","- C44 H34 I2 N4 O12 Zn2 -","2","1","","Yan Zhao; Lu-Lu He; Hong Xu; Xiao-Yuan Li; Shuang-Quan Zang","Two metal-organic coordination polymers assembled from a flexible iodo-dicarboxylate ligand and N-donor ancillary ligands","Inorganica Chimica Acta","2013","404","","201","205","","","","0.71073","MoKα","","0.0488","0.038","","","0.0694","0.0816","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517772","22.7209","0.0006","11.2713","0.0003","28.7172","0.0007","90","","96.5229","0.0008","90","","7306.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H96 N2 O14 Pd S10 -","- C64 H96 N2 O14 Pd S10 -","- C256 H384 N8 O56 Pd4 S40 -","4","1","","Kazuya Kubo; Yin-Nan Yan; Shin-ichiro Noro; Tomoyuki Akutagawa; Takayoshi Nakamura","Crystal structure of a supramolecular cation salt (adamantylammonium+)2(benzo[18]crown-6)2[Pd(dmit)2]2-(acetone)2","Inorganica Chimica Acta","2013","404","","206","209","","","","0.71075","MoKα","","0.0763","0.0525","","","0.1277","0.1414","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517773","16.3958","0.0006","8.6857","0.0003","10.619","0.0004","90","","102.96","","90","","1473.72","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 O8 U -","- C15 H10 O8 U -","- C60 H40 O32 U4 -","4","1","","Daniel T. de Lill; Benny C. Chan","Structure and luminescence of a one-dimensional uranium coordination polymer assembled through benzophenone-4,4'-dicarboxylate","Inorganica Chimica Acta","2013","404","","215","219","","","","0.71073","MoKα","","0.0264","0.0198","","","0.044","0.0465","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517774","8.2728","0.0009","18.482","0.002","11.3252","0.001","90","","115.042","0.006","90","","1568.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cu2 N4 O10 -","- C30 H32 Cu2 N4 O10 -","- C60 H64 Cu4 N8 O20 -","2","0.5","","Yi Gou; Miao Yu; Yuguang Li; Yuhuai Peng; Wu Chen","Synthesis, structures and urease inhibition studies of dimeric copper(II) complexes of Schiff bases derived from glycine","Inorganica Chimica Acta","2013","404","","224","229","","","","0.71073","MoKα","","0.0564","0.0448","","","0.1002","0.1052","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517775","10.2957","0.0011","7.0518","0.0014","15.9392","0.0019","90","","96.954","0.003","90","","1148.7","0.3","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 Cu N O4 -","- C13 H11 Cu N O4 -","- C52 H44 Cu4 N4 O16 -","4","2","","Yi Gou; Miao Yu; Yuguang Li; Yuhuai Peng; Wu Chen","Synthesis, structures and urease inhibition studies of dimeric copper(II) complexes of Schiff bases derived from glycine","Inorganica Chimica Acta","2013","404","","224","229","","","","0.71073","MoKα","","0.0689","0.0571","","","0.1027","0.1051","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517776","11.3953","0.0002","11.5651","0.0002","15.9616","0.0002","104.802","0.001","93.537","0.001","119.176","0.001","1731.95","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H66 Cu2 I2 N2 P2 S2 -","- C80 H66 Cu2 I2 N2 P2 S2 -","- C80 H66 Cu2 I2 N2 P2 S2 -","1","0.5","","Mehdi Amirnasr; Mahdieh Rasouli; Kurt Mereiter","Copper(I) complexes of new N2S2 donor Schiff-base ligands derived from 1,2-bis-(2-amino-phenylsulfanyl)ethane","Inorganica Chimica Acta","2013","404","","230","235","","","","0.71073","MoKα","","0.034","0.0292","","","0.0741","0.0767","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517777","8.7843","0.0002","9.0024","0.0002","10.0774","0.0002","97.545","0.002","99.046","0.002","95.542","0.002","774.58","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H26 Cl2 Cu2 I2 N2 S2 -","- C29 H26 Cl2 Cu2 I2 N2 S2 -","- C29 H26 Cl2 Cu2 I2 N2 S2 -","1","0.5","","Mehdi Amirnasr; Mahdieh Rasouli; Kurt Mereiter","Copper(I) complexes of new N2S2 donor Schiff-base ligands derived from 1,2-bis-(2-amino-phenylsulfanyl)ethane","Inorganica Chimica Acta","2013","404","","230","235","","","","0.71073","MoKα","","0.0153","0.0144","","","0.035","0.0355","","","","","","1.09","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517778","21.122","0.002","18.0874","0.0017","21.51","0.002","90","","90","","90","","8217.7","1.3","296","2","296","2","","","","","","","","10","P b c a","-P 2ac 2ab","61","","","","- C38 H33 Cl3 F3 Fe N4 O3 P Pd S -","- C38 H33 Cl3 F3 Fe N4 O3 P Pd S -","- C304 H264 Cl24 F24 Fe8 N32 O24 P8 Pd8 S8 -","8","1","","Hong-Mei Li; Chen Xu; Xin-Qi Hao; Zhen Li; Zhi-Qiang Wang; Wei-Jun Fu; Mao-Ping Song","Cationic cyclopalladated ferrocenylpyrimidine complex as an efficient catalyst for the synthesis of substituted biarylmethanol by the Suzuki reaction in water","Inorganica Chimica Acta","2013","404","","236","240","","","","0.71073","MoKα","","0.1475","0.0533","","","0.1163","0.1417","","","","","","0.834","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517781","17.636","0.004","13.429","0.003","11.648","0.002","90","","118.06","0.03","90","","2434.4","1.1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 B Br2 F4 N4 Na -","- C24 H14 B Br2 F4 N4 Na -","- C96 H56 B4 Br8 F16 N16 Na4 -","4","0.5","","Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang","Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands","Inorganica Chimica Acta","2013","405","","1","8","","","","0.71073","MoKα","","0.0714","0.0677","","","0.1342","0.1362","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517782","7.1267","0.0014","22.64","0.005","17.917","0.004","90","","108.39","0.03","90","","2743.2","1.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 B Br F4 N2 Na -","- C12 H7 B Br F4 N2 Na -","- C96 H56 B8 Br8 F32 N16 Na8 -","8","2","","Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang","Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands","Inorganica Chimica Acta","2013","405","","1","8","","","","0.71073","MoKα","","0.0889","0.0794","","","0.1677","0.1725","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517783","14.532","0.003","5.026","0.001","19.667","0.004","90","","90","","90","","1436.4","0.5","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H6 B Br2 F4 N2 Na -","- C12 H6 B Br2 F4 N2 Na -","- C48 H24 B4 Br8 F16 N8 Na4 -","4","1","","Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang","Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands","Inorganica Chimica Acta","2013","405","","1","8","","","","0.71073","MoKα","","0.055","0.0507","","","0.0993","0.1009","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517784","7.7705","0.0016","11.815","0.002","17.437","0.004","90","","102.58","0.03","90","","1562.4","0.6","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 B F4 N2 Na S -","- C16 H10 B F4 N2 Na S -","- C64 H40 B4 F16 N8 Na4 S4 -","4","1","","Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang","Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands","Inorganica Chimica Acta","2013","405","","1","8","","","","0.71073","MoKα","","0.1171","0.098","","","0.2095","0.2188","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517785","14.562","0.004","14.562","0.004","5.852","0.003","90","","90","","90","","1240.9","0.8","291","2","291","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C12 H6 Br2 N2 -","- C12 H6 Br2 N2 -","- C48 H24 Br8 N8 -","4","0.25","","Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang","Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands","Inorganica Chimica Acta","2013","405","","1","8","","","","0.71073","MoKα","","0.1609","0.0583","","","0.1538","0.1785","","","","","","0.7","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517820","10.2538","0.0007","11.2279","0.0008","15.3232","0.0011","110.251","0.001","97.209","0.001","105.779","0.001","1544.88","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H62 Cu3 N12 O24 S2 -","- C56 H62 Cu3 N12 O24 S2 -","- C56 H62 Cu3 N12 O24 S2 -","1","0.5","","Jacob W. Uebler; Amy L. Pochodylo; Robert L. LaDuca","Copper glutarate coordination polymers with dipyridylamide ligands: Effect of donor disposition and steric bulk on structure","Inorganica Chimica Acta","2013","405","","31","42","","","","0.71073","MoKα","","0.0423","0.0353","","","0.0902","0.0952","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517821","6.57","0.003","13.987","0.006","14.694","0.006","77.243","0.007","89.427","0.007","85.409","0.01","1312.7","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu2 N3 O9 -","- C25 H29 Cu2 N3 O9 -","- C50 H58 Cu4 N6 O18 -","2","1","","Jacob W. Uebler; Amy L. Pochodylo; Robert L. LaDuca","Copper glutarate coordination polymers with dipyridylamide ligands: Effect of donor disposition and steric bulk on structure","Inorganica Chimica Acta","2013","405","","31","42","","","","0.71073","MoKα","","0.1021","0.055","","","0.1278","0.1508","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517822","8.531","0.002","12.57","0.004","13.252","0.004","105.078","0.003","90.123","0.003","107.139","0.003","1306.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Cu2 N3 O12.5 -","- C21 H21 Cu2 N3 O12.5 -","- C42 H42 Cu4 N6 O25 -","2","1","","Jacob W. Uebler; Amy L. Pochodylo; Robert L. LaDuca","Copper glutarate coordination polymers with dipyridylamide ligands: Effect of donor disposition and steric bulk on structure","Inorganica Chimica Acta","2013","405","","31","42","","","","0.71073","MoKα","","0.1878","0.0896","","","0.2182","0.2621","","","","","","0.989","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517823","8.6901","0.0014","15.562","0.003","13.569","0.002","90","","105.63","0.002","90","","1767.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu N3 O7 -","- C16 H19 Cu N3 O7 -","- C64 H76 Cu4 N12 O28 -","4","1","","Jacob W. Uebler; Amy L. Pochodylo; Robert L. LaDuca","Copper glutarate coordination polymers with dipyridylamide ligands: Effect of donor disposition and steric bulk on structure","Inorganica Chimica Acta","2013","405","","31","42","","","","0.71073","MoKα","","0.0475","0.0355","","","0.0796","0.0836","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517824","23.476","0.003","8.8641","0.001","17.5434","0.0019","90","","110.884","0.001","90","","3410.8","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Cu N3 O7 -","- C16 H19 Cu N3 O7 -","- C128 H152 Cu8 N24 O56 -","8","1","","Jacob W. Uebler; Amy L. Pochodylo; Robert L. LaDuca","Copper glutarate coordination polymers with dipyridylamide ligands: Effect of donor disposition and steric bulk on structure","Inorganica Chimica Acta","2013","405","","31","42","","","","0.71073","MoKα","","0.0395","0.0321","","","0.0853","0.0899","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519107","12.5435","0.0003","12.1544","0.0003","18.808","0.0004","90","","93.44","0.002","90","","2862.28","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H50 Na6 O66 Sr2 W12 -","- Na6 O66 Sr2 W12 -","- Na12 O132 Sr4 W24 -","2","0.5","","Sergii V. Radio; Nadija I. Gumerova; Vyacheslav N. Baumer","Crystal Structure of Sodium-Strontium Paratungstate B, Na6Sr2[W12O40(OH)2].24H2O.","Journal of Structural Chemistry","2013","54","","97","103","","","","0.71073","MoKα","","0.0469","0.0274","","","","0.0446","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519937","11.137","0.002","8.279","0.001","5.5381","0.0009","90","","100.423","0.013","90","","502.2","0.14","296","2","296","2","","","","","","","Blue Lizard mine, San Juan County, Utah, USA","8","P 1 21/a 1","-P 2yab","14","manganoblödite","","manganoblödite","- Co0.14 H8 Mg0.29 Mn0.44 Na1.96 Ni0.06 O12 S2.03 -","- Co0.14 H8 Mg0.29 Mn0.45 Na2 Ni0.06 O12 S2 -","- Co0.28 H16 Mg0.58 Mn0.9 Na4 Ni0.12 O24 S4 -","2","0.5","","Kasatkin, A. V.; Nestola, F.; Plášil, J.; Marty, J.; Belakovskiy, D. I.; Agakhanov, A. A.; Mills, S. J.; Pedron, D.; Lanza, A.; Favaro, M.; Bianchin, S.; Lykova, I. S.; Goliáš, V.; Birch, W. D.","Manganoblödite, Na2Mn(SO4)2·4H2O, and cobaltoblödite, Na2Co(SO4)2·4H2O: two new members of the blödite group from the Blue Lizard mine, San Juan County, Utah, USA","Mineralogical Magazine","2013","77","3","367","383","10.1180/minmag.2013.077.3.10","","","0.71073","MoKα","","0.121","0.0459","","","0.1022","0.1155","","","","","","0.996","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1519938","7.4222","0.0003","5.6178","0.0002","18.7232","0.0007","90","","101.423","0.0006","90","","765.23","0.05","293","2","293","2","","","","","","","Saga mine, Morje, Porsgrunn, Norway","6","P 1 21/c 1","-P 2ybc","14","mosandrite","","mosandrite","- Ca3.5 Ce H10 O20 Si4 Ti -","- Ca0.4 Ce0.0742 F H7.5 Na0.17 O19 Si4 Ti1.024 Y3.114 -","- Ca0.8 Ce0.1484 F2 H15 Na0.34 O38 Si8 Ti2.048 Y6.228 -","2","0.5","","Sokolova, E.; Hawthorne, F. C.","From structure topology to chemical composition. XIV. Titanium silicates: refinement of the crystal structure and revision of the chemical formula of mosandrite, (Ca~3~REE)[(H~2~O)~2~Ca~0.5\σquare 0.5~]Ti(Si~2~O~7~)2~(OH)~2~(H~2~O)~2~, a Group-I mineral from the Saga mine, Morje, Porsgrunn, Norway","Mineralogical Magazine","2013","77","6","2753","2771","10.1180/minmag.2013.077.6.05","","","0.71073","MoKα","","0.0384","0.0369","","","0.1115","0.1128","","","","","","1.164","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1519942","24.576","0.005","7.754","0.005","24.641","0.005","90","","90.19","0.01","90","","4696","3","","","293","","","","","","","","","5","I 1 2 1","I 2y","5","","","liskeardite","- Al29.2 As18 Fe2.8 H190 O188 -","- Al29.164 As18 Fe2.836 O188.24 -","- Al29.164 As18 Fe2.836 O188.24 -","1","0.25","","Grey, I. E.; Mumme, W. G.; Macrae, C. M.; Caradoc-Davies, T.; Price, J. R.; Rumsey, M. S.; Mills, S. J.","Chiral edge-shared octahedral chains in liskeardite, [(Al,Fe)~32~(AsO~4~)~18~(OH)~42~(H~2~O)~22~]·52H~2~O, an open framework mineral with a pharmacoalumite-related structure","Mineralogical Magazine","2013","77","8","3125","3135","10.1180/minmag.2013.077.8.07","","x-ray","0.71073","MoKα","","0.081","0.0588","","","0.0745","0.0808","","","","1.08","1.08","1.02","","","","has coordinates,has Fobs","137320","2020-10-21","18:00:00",""
"1519943","12.2439","0.0006","15.7514","0.0004","10.6008","0.0003","90","","125.623","0.002","90","","1661.87","0.11","293","2","293","2","","","","","","","Wessels Mine, Kalahari Manganese Fields, Republic of South Africa","6","C 1 2/m 1","-C 2y","12","diegogattaite","disodium calcium dicopper octasilicate monohydrate","diegogattaite","- Ca Cu2 H2 Na2 O21 Si8 -","- Ca Cu2 H2 Na2 O21 Si8 -","- Ca4 Cu8 H8 Na8 O84 Si32 -","4","0.5","","Rumsey, M. S.; Welch, M. D.; Kampf, A. R.; Spratt, J.","Diegogattaite, Na~2~CaCu~2~Si~8~O~20~·H~2~O: a new nanoporous copper sheet silicate from Wessels Mine, Kalahari Manganese Fields, Republic of South Africa","Mineralogical Magazine","2013","77","8","3155","3162","10.1180/minmag.2013.077.8.09","","","0.71073","MoKα","","0.033","0.0272","","","0.0687","0.0711","","","","","","1.09","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529217","17.1262","0.0019","10.3435","0.0011","17.2582","0.0019","90","","119.203","0.001","90","","2668.6","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Enrofloxacinium tetrabromo-dichloro-tin(IV) monohydrate","","","- C19 H26 Br3.46 Cl2.54 F N3 O4 Sn -","- C19 H24 Br3.457 Cl2.543 F N3 O4 Sn -","- C76 H96 Br13.828 Cl10.172 F4 N12 O16 Sn4 -","4","1","","N.N. Golovnev; M.S. Molokeev; I.I. Golovneva; G.A. Gluschenko","Crystal structure of enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate","Journal of Structural Chemistry","2013","54","2","377","","10.1134/S0022476613020157","","","0.71073","MoKα","","0.1247","0.0513","","","0.0844","0.1036","","","","","","1.009","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529220","8.418","0.0008","9.1422","0.0009","10.6741","0.0011","76.07","0.001","84.554","0.001","70.733","0.001","752.55","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[(μ~2~-2-thiobarbiturato-O,S)-(2-thiobarbiturato-O)]-octaaqua-di-calcium","","- C16 H28 Ca2 N8 O16 S4 -","- C16 H28 Ca2 N8 O16 S4 -","- C16 H28 Ca2 N8 O16 S4 -","1","0.5","","Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Calcium and strontium thiobarbiturates with discrete and polymeric structures","Journal of Coordination Chemistry","2013","66","23","4119","","10.1080/00958972.2013.860450","","","0.71073","MoKα","","0.068","0.0405","","","0.0822","0.096","","","","","","1.036","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529221","12.9753","0.0008","7.2255","0.0005","16.4338","0.001","90","","94.883","0.001","90","","1535.13","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-bis(2-thiobarbiturato-O,S)-tetraaqua-strontium","","- C8 H14 N4 O8 S2 Sr -","- C8 H14 N4 O8 S2 Sr -","- C32 H56 N16 O32 S8 Sr4 -","4","1","","Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Calcium and strontium thiobarbiturates with discrete and polymeric structures","Journal of Coordination Chemistry","2013","66","23","4119","","10.1080/00958972.2013.860450","","","0.71073","MoKα","","0.0567","0.0338","","","0.066","0.0729","","","","","","1.008","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529222","12.9805","0.0016","8.4004","0.001","17.069","0.002","90","","90","","90","","1861.2","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(2-thiobarbiturato-O)-pentaaqua-calcium dihydrate","","- C8 H20 Ca N4 O11 S2 -","- C8 H20 Ca N4 O11 S2 -","- C32 H80 Ca4 N16 O44 S8 -","4","0.5","","Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Calcium and strontium thiobarbiturates with discrete and polymeric structures","Journal of Coordination Chemistry","2013","66","23","4119","","10.1080/00958972.2013.860450","","","0.71073","MoKα","","0.0396","0.0312","","","0.0807","0.0863","","","","","","1.063","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529223","11.2317","0.0017","3.8687","0.0006","14.557","0.002","90","","97.448","0.004","90","","627.2","0.16","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Potassium 2-thiobarbiturate","","","- C4 H3 K N2 O2 S -","- C4 H3 K N2 O2 S -","- C16 H12 K4 N8 O8 S4 -","4","1","","N.N. Golovnev; M.S. Molokeev; M.Yu. Belash","Crystal structure of potassium 2-thiobarbiturate","Journal of Structural Chemistry","2013","54","3","566","","10.1134/S0022476613030141","","","0.71073","MoKα","","0.0813","0.0402","","","0.0791","0.0939","","","","","","1.002","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529224","6.59722","0.00013","9.8917","0.0002","10.08927","0.00019","106.702","0.0012","93.3951","0.0015","107.481","0.0013","593.82","0.02","300","","300","","","","","","","","","6","P -1","-P 1","2","","","C8 H6 N4 O5 Pb S2","- C8 H6 N4 O5 Pb S2 -","- C8 H6 N4 O5 Pb S2 -","- C16 H12 N8 O10 Pb2 S4 -","2","1","","Golovnev, Nikolay; Molokeev, Maxim","Crystal structure of catena-DI(2-thiobarbiturato-O,S)aqualead(II)","Journal of Structural Chemistry","2013","54","5","968","","10.1134/S0022476613050193","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.54","","","","2.263","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529266","10.5182","0.00013","10.5182","0.00013","10.5182","0.00013","90","","90","","90","","1163.66","0.02","573","","573","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","CsFe2F6","- Cs4 F24 Fe8 -","- Cs4 F24 Fe8 -","- Cs8 F48 Fe16 -","2","0.0104167","","Molokeev, Maxim; Bogdanov, Evgeniy; Misjul', Sergey; Tressaud, Alain; Flerov, Igor","Crystal structure and phase transition mechanisms in CsFe2F6","Journal of Solid State Chemistry","2013","200","0","157","","10.1016/j.jssc.2013.01.038","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.28","","","","1.49","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529267","7.24433","0.0001","7.482292","0.000094","10.42376","0.00013","90","","90","","90","","565.011","0.013","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","CsFe2F6","- Cs F6 Fe2 -","- Cs F6 Fe2 -","- Cs4 F24 Fe8 -","4","0.5","","Molokeev, Maxim; Bogdanov, Evgeniy; Misjul', Sergey; Tressaud, Alain; Flerov, Igor","Crystal structure and phase transition mechanisms in CsFe2F6","Journal of Solid State Chemistry","2013","200","0","157","","10.1016/j.jssc.2013.01.038","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.31","","","","2.065","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529268","5.1431","0.0002","18.8195","0.0007","8.1641","0.0003","90","","90","","90","","790.21","0.05","300","","300","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Mo2 O8 Rb Sm -","- Mo2 O8 Rb Sm -","- Mo8 O32 Rb4 Sm4 -","4","0.5","","Atuchin, Victor; Chimitova, Olga; Adichtchev, S.; Bazarov, B.; Gavrilova, T.; Molokeev, Maxim; Surovtsev, N.; Bazarova, Zh.","Synthesis, structural and vibrational properties of microcrystalline beta-RbSm(MoO4)2","Materials Letters","2013","106","0","26","","10.1016/j.matlet.2013.04.039","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.82","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529335","9.84698","0.00014","13.57512","0.00019","7.36519","0.0001","90","","90","","90","","984.53","0.02","300","","300","","","","","","","","","4","P c n b","-P 2b 2ac","60","","","","- Dy8 Fe8.58 O56 Ti15.42 -","- Dy8 Fe8.576 O56 Ti15.424 -","- Dy8 Fe8.576 O56 Ti15.424 -","1","0.125","","T.V. Drokina; G.A. Petrakovskii; M.S. Molokeev; D.A. Velikanov; O.N. Pletnev; O.A. Bayukov","Specific features of the crystal structure and magnetic properties of the DyFeTi2O7 compound","Physics of the Solid State","2013","55","10","2037","2042","10.1134/S1063783413100107","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.775","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529336","5.89467","0.00027","5.89467","0.00027","10.68564","0.00048","90","","90","","90","","371.3","0.03","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- F7 N2 Ta -","- F7 H8 N2 Ta -","- F14 H16 N4 Ta2 -","2","0.125","","E.I. Pogoreltsev; S.V. Melnikova; A.V. Kartashev; M.S. Molokeev; M.V. Gorev; I.N. Flerov; N.M. Laptash","Ferroelastic phase transitions in (NH4)2TaF7","Physics of the Solid State","2013","55","3","611","618","10.1134/S1063783413030232","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","0.05232","","","","","","","0.0744","","","","","","","","has coordinates,has Fobs","186594","2020-10-21","18:00:00",""
"1529337","9.83633","0.00033","9.06851","0.0003","5.34709","0.00018","90","","107.09","0.0017","90","","455.9","0.03","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Eu0.12 Na3.88 O24 Sc4 Si8 -","- Ca0 Eu0.12 Mg0 Na3.88 O24 Sc4 Si8 -","- Ca0 Eu0.12 Mg0 Na3.88 O24 Sc4 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","2.47","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529338","9.81825","0.0002","9.04929","0.00019","5.32748","0.0001","90","","106.713","0.0012","90","","453.342","0.016","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca0.68 Eu0.12 Mg0.7 Na3.2 O24 Sc3.3 Si8 -","- Ca0.6748 Eu0.12 Mg0.696 Na3.2052 O24 Sc3.304 Si8 -","- Ca0.6748 Eu0.12 Mg0.696 Na3.2052 O24 Sc3.304 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.973","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529339","9.77208","0.0003","8.97795","0.00029","5.27439","0.00017","90","","106.014","0.0012","90","","444.78","0.02","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca2.94 Eu0.2 Mg3.1 Na0.86 O24 Sc0.9 Si8 -","- Ca2.9444 Eu0.2 Mg3.0992 Na0.8556 O24 Sc0.9008 Si8 -","- Ca2.9444 Eu0.2 Mg3.0992 Na0.8556 O24 Sc0.9008 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.726","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529340","9.79577","0.0002","9.01952","0.00019","5.30306","0.00011","90","","106.359","0.0012","90","","449.574","0.016","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca1.66 Eu0.12 Mg1.71 Na2.22 O24 Sc2.29 Si8 -","- Ca1.658 Eu0.12 Mg1.7092 Na2.222 O24 Sc2.2908 Si8 -","- Ca1.658 Eu0.12 Mg1.7092 Na2.222 O24 Sc2.2908 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.576","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529341","9.78235","0.00044","8.99721","0.00041","5.28777","0.00023","90","","106.133","0.0014","90","","447.07","0.03","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca2.36 Eu0.12 Mg2.44 Na1.52 O24 Sc1.56 Si8 -","- Ca2.3628 Eu0.12 Mg2.4356 Na1.5172 O24 Sc1.5644 Si8 -","- Ca2.3628 Eu0.12 Mg2.4356 Na1.5172 O24 Sc1.5644 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.778","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529342","9.76484","0.00023","8.97439","0.00021","5.26841","0.00012","90","","105.979","0.0011","90","","443.85","0.018","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca3.13 Eu0.12 Mg3.23 Na0.75 O24 Sc0.77 Si8 -","- Ca3.1296 Eu0.12 Mg3.2264 Na0.7504 O24 Sc0.7736 Si8 -","- Ca3.1296 Eu0.12 Mg3.2264 Na0.7504 O24 Sc0.7736 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.659","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529343","9.74888","0.00017","8.9529","0.00016","5.250985","0.000093","90","","105.864","0.00091","90","","440.855","0.014","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ca3.88 Eu0.12 O24 Si8 -","- Ca3.88 Eu0.12 Mg4 Na0 O24 Sc0 Si8 -","- Ca3.88 Eu0.12 Mg4 Na0 O24 Sc0 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.455","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1543051","11.58792","0.00019","12.2101","0.0002","5.25364","0.0001","90","","90.5649","0.0007","90","","743.3","0.02","293","2","293","2","","","","","","","","3","P 21/n","-P 2yn","14","cis-inositol","cis-1,2,3,4,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.351","","","","","","","has coordinates,has Fobs","181978","2020-10-21","18:00:00",""
"1543052","14.1313","0.0002","11.0757","0.0002","9.36191","0.00018","90","","90","","90","","1465.27","0.05","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","cis-inositol","cis-1,2,3,4,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","1","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.299","","","","","","","has coordinates,has Fobs","181978","2020-10-21","18:00:00",""
"1543053","14.01476","0.00014","11.03782","0.00011","9.33193","0.00012","90","","90","","90","","1443.58","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","cis-inositol","cis-1,2,3,4,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C48 H96 O48 -","8","2","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.21","","","","","","","has coordinates,has Fobs","181978","2020-10-21","18:00:00",""
"1543054","11.8577","0.0003","7.01486","0.00016","8.68032","0.00019","90","","90","","90","","722.03","0.03","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","myo-inositol","cis-1,2,3,5-trans-4,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.174","","","","","","","has coordinates,has Fobs","181978","2020-10-21","18:00:00",""
"1543055","6.86637","0.00011","9.12272","0.00014","6.21914","0.000098","90","","106.596","0.00059","90","","373.338","0.01","293","2","293","2","","","","","","","","3","P 21","P 2yb","4","D-(+)-chiro-inositol","cis-1,2,4-trans-3,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C12 H24 O12 -","2","","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.377","","","","","","","has coordinates,has Fobs","181978","2020-10-21","18:00:00",""
"1543056","10.1435","0.0006","8.1542","0.0004","8.6239","0.0004","90","","92.3556","0.0015","90","","712.7","0.07","293","2","293","2","","","","","","","","3","P 21/c","-P 2ybc","14","rac-chiro-inositol","rac-chiro-1,2,3,4,5,6-cyclohexanehexol","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","","","Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco","On the correlation between hydrogen bonding and melting points in the inositols","IUCrJ","2013","1","1","61","73","10.1107/s2052252513026511","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","2.417","2.917","","","","","","","has coordinates,has Fobs","181978","2020-10-21","18:00:00",""
"1543664","4.722","","4.271","","2.835","","90","","90","","90","","57.175","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- C Fe2 -","- C Fe2 -","- C2 Fe4 -","2","0.25","","Oila, Adrian; Lung, Chi; Bull, Steve","Elastic properties of eta carbide (η-Fe2C) from ab initio calculations: application to cryogenically treated gear steel","Journal of Materials Science","2013","49","5","2383","","10.1007/s10853-013-7942-0","","","","","","","","","","","","","","","","","","","","","has coordinates","184448","2020-10-21","18:00:00",""
"1544271","11.3689","0.0017","16.701","0.002","17.007","0.003","90","","92.09","0.003","90","","3227","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Co N2 O4 -","- C40 H30 Co N2 O4 -","- C160 H120 Co4 N8 O16 -","4","1","","Maria Lalia-Kantouri; Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Michael P. Sigalas; Miguel Quirós; Stavroula Skoulika","Different Geometries of Novel Cobalt(II) Compounds with 2-Hydroxy-benzophenones and Neocuproine: Crystal and Molecular Structures of [Co(2-hydroxy-benzophenone)~2~(neoc)], [Co(2-hydroxy-4-methoxybenzophenone)(neoc)Br] and [Co(neoc)Br~2~].CH~3~OH.H~2~O","Polyhedron","2013","52","","1306","1316","10.1016/j.poly.2012.06.012","","","0.71073","MoKα","","0.0733","0.055","","","0.1283","0.138","","","","","","1.037","","","","has coordinates,has Fobs","187264","2020-10-21","18:00:00",""
"1544331","10.2897","0.0005","6.6711","0.0003","5.0691","0.0002","90","","90","","90","","347.96","0.03","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","Zn2SiO4 III","","Zn2SiO4 III","- O4 Si Zn2 -","- O4 Si Zn2 -","- O16 Si4 Zn8 -","4","0.5","","Liu, X.; Kanzaki, M.; Xue, X.","Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K","Physics and Chemistry of Minerals","2013","40","","467","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","187462","2020-10-21","18:00:00",""
"1544332","10.9179","0.0004","9.6728","0.0004","6.1184","0.0002","90","","90","","90","","646.14","0.04","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Zn2SiO4 IV","","Zn2SiO4 IV","- O4 Si Zn2 -","- O4 Si Zn2 -","- O32 Si8 Zn16 -","8","1","","Liu, X.; Kanzaki, M.; Xue, X.","Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K","Physics and Chemistry of Minerals","2013","40","","467","478","","","","","","","","","","","","","","","","","","","","","","has coordinates","187463","2020-10-21","18:00:00",""
"1544359","5.7336","0.0001","5.7405","0.0001","8.10905","0.00014","90","","90.022","0.0006","90","","266.899","0.008","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Sr2InTaO6","","","- In O6 Sr2 Ta -","- In O6 Sr2 Ta -","- In2 O12 Sr4 Ta2 -","2","0.5","","Zhou, Q.; Kennedy, B.J.; Avdeev, M.","Crystal structure and phase transitions in Sr2InTaO6 sample: 25 C","Physics and Chemistry of Minerals","2013","40","","603","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","187596","2020-10-21","18:00:00",""
"1544360","5.7764","0.0013","5.776","0.0011","8.1566","0.0009","90","","90.09","0.019","90","","272.14","0.09","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","Sr2InTaO6 @600C","","","- In O6 Sr2 Ta -","- In O6 Sr2 Ta -","- In2 O12 Sr4 Ta2 -","2","0.25","","Zhou, Q.; Kennedy, B.J.; Avdeev, M.","Crystal struture and phase transitions in Sr2InTaO6 sample: 600 ?C","Physics and Chemistry of Minerals","2013","40","","603","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","209173","2020-10-21","18:00:00",""
"1544361","5.7783","0.0002","5.7783","0.0002","8.1929","0.0006","90","","90","","90","","273.55","0.02","","","","","","","","","","","","4","I 4/m","-I 4","87","Sr2InTaO6 @750C","","","- In O6 Sr2 Ta -","- In O6 Sr2 Ta -","- In2 O12 Sr4 Ta2 -","2","0.125","","Zhou, Q.; Kennedy, B.J.; Avdeev, M.","Crystal structure and phase transitions in Sr2InTaO6 sample: 750 C","Physics and Chemistry of Minerals","2013","40","","603","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","187598","2020-10-21","18:00:00",""
"1544362","8.2116","0.0002","8.2116","0.0002","8.2116","0.0002","90","","90","","90","","553.71","0.02","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","Sr2InTaO6 @1100C","","","- In O6 Sr2 Ta -","- In O6 Sr2 Ta -","- In4 O24 Sr8 Ta4 -","4","0.0208333","","Zhou, Q.; Kennedy, B.J.; Avdeev, M.","Crystal structure and phase transitions in Sr2InTaO6 sample: 1100 ?C","Physics and Chemistry of Minerals","2013","40","","603","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","187599","2020-10-21","18:00:00",""
"1544468","10.556","0.0001","10.556","0.0001","10.556","0.0001","90","","90","","90","","1176.25","0.019","","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","227","Eu2Zr2O7 XRD","","","- Eu2 O7 Zr2 -","- Eu2 O29.84 Zr2 -","- Eu8 O119.36 Zr8 -","4","","","Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M.","Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction","Journal of the Ceramic Society of Japan","2013","121","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","187814","2020-10-21","18:00:00",""
"1544469","10.809","0.0001","10.809","0.0001","10.809","0.0001","90","","90","","90","","1262.86","0.02","","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","227","La2Zr2O7 XRD","","","- La2 O7 Zr2 -","- La2 O28.08 Zr2 -","- La8 O112.32 Zr8 -","4","","","Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M.","Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction","Journal of the Ceramic Society of Japan","2013","121","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","187815","2020-10-21","18:00:00",""
"1544470","10.812","0.0001","10.812","0.0001","10.812","0.0001","90","","90","","90","","1263.92","0.02","","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","227","La2Zr2O7 neutron data","","","- La2 O7 Zr2 -","- La2 O28.056 Zr2 -","- La8 O112.224 Zr8 -","4","","","Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M.","Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction","Journal of the Ceramic Society of Japan","2013","121","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","187816","2020-10-21","18:00:00",""
"1544471","10.631","0.0001","10.631","0.0001","10.631","0.0001","90","","90","","90","","1201.5","0.02","","","","","","","","","","","","3","F d -3 m","F 4d 2 3 -1d","227","Nd2Zr2O7 XRD","","","- Nd2 O7 Zr2 -","- Nd2 O29.2 Zr2 -","- Nd8 O116.8 Zr8 -","4","","","Hagiwara, T.; Yamamura, H.; Nomura, K.; Igawa, M.","Relationship between crystal structure and oxide-ion conduction in Ln2Zr2O7 (Ln = Eu, Nd and La) system deduced by neutron and X-ray diffraction","Journal of the Ceramic Society of Japan","2013","121","","205","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","187817","2020-10-21","18:00:00",""
"1544472","5.365","0.003","5.8541","0.0017","7.468","0.002","90","","90","","90","","234.55","0.16","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","SmMnO3 at 100 K","","","- Mn O3 Sm -","- Mn O3 Sm -","- Mn4 O12 Sm4 -","4","0.5","","Maeda, H.; Ishiguro, Y.; Honda, T.; Jung, J.-S.; Michimura, S.; Inami, T.; Kimura, T.; Wakabayashi, Y.","Structural investigation of magnetocapacitive SmMnO3","Journal of the Ceramic Society of Japan","2013","121","","265","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","187818","2020-10-21","18:00:00",""
"1544473","5.3694","0.0008","5.8649","0.0007","7.4803","0.0009","90","","90","","90","","235.56","0.05","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","SmMnO3","","","- Mn O3 Sm -","- Mn O3 Sm -","- Mn4 O12 Sm4 -","4","0.5","","Maeda, H.; Ishiguro, Y.; Honda, T.; Jung, J.-S.; Michimura, S.; Inami, T.; Kimura, T.; Wakabayashi, Y.","Structural investigation of magnetocapacitive SmMnO3","Journal of the Ceramic Society of Japan","2013","121","","265","267","","","","","","","","","","","","","","","","","","","","","","has coordinates","187820","2020-10-21","18:00:00",""
"1544622","5.8052","0.0003","5.8052","0.0003","10.2277","0.0008","90","","90","","120","","298.5","0.03","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","iseite Mn2Mo3O8","","iseite","- Fe0.193 Mn1.787 Mo3.01 O8 -","- Fe0.2 Mn1.8 Mo3 O8 -","- Fe0.4 Mn3.6 Mo6 O16 -","2","0.166667","","Nishio-Hamane, D.; Tomita, N.; Minakawa, T.; Inaba, S.","Iseite, Mn2Mo3O8, a new mineral from Ise, Mie Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2013","108","","37","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","188566","2020-10-21","18:00:00",""
"1544858","7.4667","0.0003","11.6253","0.0006","6.682","0.0002","91.533","0.004","93.886","0.003","104.203","0.004","560.43","0.04","","","","","","","","","","","","10","P -1","-P 1","2","(Na0.01Ca2.01)(Mg0.11Mn0.09Fe2+0.76Fe3+0.93Ti0.01Al0.06)Si5.01O14(OH)","","natural babingtonite","- Al0.06 Ca2.01 Fe1.69 H Mg0.11 Mn0.09 Na0.01 O15 Si5.01 Ti0.01 -","- Al0.086 Ca2 Fe1.822 Mg0.092 O15 Si5 -","- Al0.172 Ca4 Fe3.644 Mg0.184 O30 Si10 -","2","1","","Akasaka, M.; Kimura, T.; Nagashima, M.","X-ray Rietveld and 7Fe Mossbauer study of babingtonite from Kouragahana, Shimane Peninsula, Japan","Journal of Mineralogical and Petrological Sciences","2013","108","","121","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","189364","2020-10-21","18:00:00",""
"1544859","12.473","0.0009","12.473","0.0009","9.9607","0.0014","90","","90","","120","","1342","0.2","","","","","","","","","","","","13","P -6","P -6","174","Ce(CO3)OH","","hydroxylbastnasite-(Ce)","- C H0.85 Ce0.49 Eu0.01 F0.15 Gd0.01 La0.21 Nd0.16 O3.85 Pr0.06 Sm0.02 Th0.01 Y0.03 -","- C Ce O4 -","- C18 Ce18 O72 -","18","3","","Michiba, K.; Miyawaki, R.; Minakawa, T.; Terada, Y.; Nakai, I.; Matsubara, S.","Crystal structure of hydroxylbastnasite-(Ce) from Kamihouri, Miyazaki Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2013","108","","326","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","189371","2020-10-21","18:00:00",""
"1544865","5.3182","0.0008","10.9583","0.0013","5.0595","0.0007","90","","94.993","0.014","90","","293.74","0.07","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Y(Ta,Nb)O4","","takanawaite-(Y)","- Dy0.08 Nb0.45 O4 Ta0.57 Y0.75 -","- Nb0.45 O4 Ta0.57 Y -","- Nb1.8 O16 Ta2.28 Y4 -","4","0.5","","Nishio-Hamane, D.; Minakawa, T.; Ohgoshi, Y.","Takanawaite-(Y), a new mineral of the M-type polymorph with Y(Ta,Nb)O4 from Takanawa Mountain, Ehime Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2013","108","","335","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","189380","2020-10-21","18:00:00",""
"1547183","6.357","0.0003","7.2377","0.0003","16.7375","0.0007","80.359","0.003","82.469","0.003","72.36","0.003","720.87","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Hamada_F8_30_09_12_a","","","- C15 H10 Cl2 N2 O2 -","- C15 H10 Cl2 N2 O2 -","- C30 H20 Cl4 N4 O4 -","2","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","1.54178","CuKα","","0.0457","0.0424","","","0.1442","0.1474","","","","","","1.9","","","","has coordinates","200923","2020-10-21","18:00:00",""
"1547184","6.0147","0.0002","7.3767","0.0002","16.5968","0.0004","80.941","0.002","85.362","0.001","67.694","0.001","672.6","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Hamada_F4_20_05_12","","","- C15 H11 Cl N2 O2 -","- C15 H11 Cl N2 O2 -","- C30 H22 Cl2 N4 O4 -","2","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","1.54178","","","0.0379","0.0359","","","0.1016","0.1035","","","","","","1.063","","","","has coordinates","200924","2020-10-21","18:00:00",""
"1547185","7.7965","0.0011","11.0035","0.0013","12.2289","0.0017","70.789","0.008","89.602","0.007","85.231","0.007","987","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl2 N4 O2 -","- C20 H16 Cl2 N4 O2 -","- C40 H32 Cl4 N8 O4 -","2","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.0641","","","","0.2135","","","","","","0.874","","","","has coordinates","200925","2020-10-21","18:00:00",""
"1547186","27.918","0.004","6.6325","0.0008","24.125","0.003","90","","113.965","0.009","90","","4082","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hamada_F24_22_04_12","","","- C20 H16 Cl N5 O4 -","- C20 H16 Cl N5 O4 -","- C160 H128 Cl8 N40 O32 -","8","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","1.54178","CuKα","","0.1154","0.0781","","","0.1746","0.1984","","","","","","1.109","","","","has coordinates,has disorder","200926","2020-10-21","18:00:00",""
"1547187","7.5481","0.0006","21.3823","0.0013","27.862","0.002","90","","90","","90","","4496.8","0.6","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Cl2 N4 O4 -","- C22 H20 Cl2 N4 O4 -","- C176 H160 Cl16 N32 O32 -","8","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.067","","","","0.1965","","","","","","0.998","","","","has coordinates","200927","2020-10-21","18:00:00",""
"1547188","8.918","0.001","10.6964","0.0011","13.2165","0.0014","73.044","0.006","81.609","0.006","70.078","0.005","1132.2","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl2 N6 O3 S -","- C20 H16 Cl2 N6 O3 S -","- C40 H32 Cl4 N12 O6 S2 -","2","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.0471","","","","0.1891","","","","","","1.122","","","","has coordinates","200928","2020-10-21","18:00:00",""
"1547189","9.8702","0.0007","18.7297","0.0014","19.4912","0.0015","90","","92.397","0.004","90","","3600.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hamada_F6_14_03_12","","","- C20 H15 Cl N2 O4 -","- C20 H15 Cl N2 O4 -","- C160 H120 Cl8 N16 O32 -","8","2","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","1.54178","CuKα","","0.0685","0.0468","","","0.1277","0.1346","","","","","","1.054","","","","has coordinates,has disorder","200929","2020-10-21","18:00:00",""
"1547190","26.252","0.002","7.3051","0.0005","24.0223","0.0018","90","","90","","90","","4606.8","0.6","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H17 Cl2 N5 O5 -","- C22 H17 Cl2 N5 O5 -","- C176 H136 Cl16 N40 O40 -","8","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.0585","","","","0.1531","","","","","","0.961","","","","has coordinates","200930","2020-10-21","18:00:00",""
"1547191","8.0271","0.001","14.5864","0.0013","21.531","0.003","90","","97.548","0.007","90","","2499.1","0.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl2 N5 O6 -","- C24 H19 Cl2 N5 O6 -","- C96 H76 Cl8 N20 O24 -","4","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.0458","","","","0.1531","","","","","","1.098","","","","has coordinates","200931","2020-10-21","18:00:00",""
"1547206","8.002","0.0008","9.498","0.001","11.6401","0.0012","81.034","0.008","77.83","0.008","73.12","0.008","823.29","0.15","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","Bis[tris(2-hydroxyethyl)amine]-nickel(II)- bis-[(4-chlorophenylsulfanyl)acetate]","","- C28 H42 Cl2 N2 Ni O10 S2 -","- C28 H42 Cl2 N2 Ni O10 S2 -","- C28 H42 Cl2 N2 Ni O10 S2 -","1","0.5","","Adamovich, S. N.; Mirskova, A. N.; Mirskov, R. G.; Schilde, Uwe","Reaction of pharmacological active tris-(2-hydroxyethyl)ammonium 4-chlorophenylsulfanylacetate with ZnCl2 or NiCl2: First conversion of a protic ionic liquid into metallated ionic liquid","Chemistry Central Journal","2013","7","","34","","10.1186/1752-153X-7-34","","","0.71073","MoKα","","0.0445","0.03","","","0.0575","0.0603","","","","","","0.964","","","","has coordinates","200971","2020-10-21","18:00:00",""
"1547207","8.2822","0.0002","16.5364","0.0003","14.5365","0.0003","90","","91.988","0.0019","90","","1989.69","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Co Fe N12 O2 -","- C12 H28 Co Fe N12 O2 -","- C48 H112 Co4 Fe4 N48 O8 -","4","1","","Zdenek Travnicek; Radek Zboril; Miroslava Matikova-Malarova; Bohuslav Drahos; Juraj Cernak","Thermal decomposition of [Co(en)3][Fe(CN)6].2H2O: Topotactic dehydration process, valence and spin exchange mechanism elucidation","Chemistry Central Journal","2013","7","","28","","10.1186/1752-153X-7-28","","","0.71073","MoKα","","0.0354","0.0265","","","0.0807","0.0976","","","","","","1.169","","","","has coordinates","200972","2020-10-21","18:00:00",""
"1547208","15.0448","0.0003","8.4631","0.0002","14.9812","0.0003","90","","90.1603","0.0019","90","","1907.48","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 Co2 Fe2 N24 O -","- C24 H50 Co2 Fe2 N24 O -","- C48 H100 Co4 Fe4 N48 O2 -","2","0.5","","Zdenek Travnicek; Radek Zboril; Miroslava Matikova-Malarova; Bohuslav Drahos; Juraj Cernak","Thermal decomposition of [Co(en)3][Fe(CN)6].2H2O: Topotactic dehydration process, valence and spin exchange mechanism elucidation","Chemistry Central Journal","2013","7","","28","","10.1186/1752-153X-7-28","","","0.71073","MoKα","","0.0333","0.0263","","","0.0796","0.0948","","","","","","1.246","","","","has coordinates","200973","2020-10-21","18:00:00",""
"1547209","9.699","0.001","8.5","0.001","18.044","0.002","90","","101.29","0.007","90","","1458.8","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O S -","- C16 H15 N3 O S -","- C64 H60 N12 O4 S4 -","4","1","","Behrooz Rezaei; Mehrnoosh Fazlollahi","Synthesis, solvatochromism and crystal structure of 5-Methoxy-5,6-diphenyl-4,5-dihydro-2H -1,2,4-triazine-3-thione","Chemistry Central Journal","2013","7","","130","","10.1186/1752-153X-7-130","","","0.71069","MoKα","","0.0391","0.0371","","","0.1008","0.1024","","","","","","1.062","","","","has coordinates","200974","2020-10-21","18:00:00",""
"1547215","10.2944","0.0001","13.6664","0.0002","19.4983","0.0002","90","","90","","90","","2743.16","0.06","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N O2 P S2 -","- C24 H46 N O2 P S2 -","- C96 H184 N4 O8 P4 S8 -","4","1","","Samet Solak; Cemal Aydemir; Mehmet Karakus; Peter Lonnecke","Novel Gold(I) and Silver(I) Complexes of Phosphorus-1,1,-dithiolates and Molecular Structure of [O,O'-(Bornyl)2PS2]H3NC(CH3)3","Chemistry Central Journal","2013","7","","89","","10.1186/1752-153X-7-89","","","0.71073","MoKα","","0.0403","0.0348","","","0.0909","0.0925","","","","","","0.997","","","","has coordinates","200980","2020-10-21","18:00:00",""
"1547244","11.234","0.0014","12.431","0.0017","13.347","0.0012","83.037","0.007","71.297","0.006","89.54","0.005","1751.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H56 N2 O4 Ti -","- C35 H56 N2 O4 Ti -","- C70 H112 N4 O8 Ti2 -","2","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.1066","0.0564","","","0.1265","0.1497","","","","","","1.034","","","","has coordinates","201063","2020-10-21","18:00:00",""
"1547245","19.372","0.0007","9.652","0.0004","20.395","0.001","90","","116.015","0.002","90","","3427","0.3","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H56 N2 O4 Ti -","- C35 H56 N2 O4 Ti -","- C140 H224 N8 O16 Ti4 -","4","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.1272","0.0837","","","0.196","0.2254","","","","","","1.079","","","","has coordinates","201064","2020-10-21","18:00:00",""
"1547246","10.925","0.0007","14.72","0.0012","27.104","0.0014","90","","90","","90","","4358.8","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H76 N2 O4 Ti -","- C45 H76 N2 O4 Ti -","- C180 H304 N8 O16 Ti4 -","4","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.0918","0.0607","","","0.1452","0.1651","","","","","","1.039","","","","has coordinates,has disorder","201065","2020-10-21","18:00:00",""
"1547247","14.053","0.0002","13.582","0.0002","20.148","0.0004","90","","91.528","0.001","90","","3844.24","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 N2 O4 Ti -","- C40 H60 N2 O4 Ti -","- C160 H240 N8 O16 Ti4 -","4","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.083","0.0503","","","0.1156","0.1348","","","","","","1.027","","","","has coordinates,has disorder","201066","2020-10-21","18:00:00",""
"1547250","10.3809","0.0002","11.7017","0.0003","11.3918","0.0002","90","","91.742","0.001","90","","1383.17","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 Br2 N4 O2 -","- C28 H36 Br2 N4 O2 -","- C56 H72 Br4 N8 O4 -","2","1","","Muhammad Adnan Iqbal; Rosenani A Haque; Siti Fatimah Nasri; AMS Abdul Majid; Mohamed B Khadeer Ahamed; Elham Farsi; Tabinda Fatima","Potential of silver against human colon cancer: (synthesis, characterization and crystal structures of xylyl (Ortho, meta, & Para) linked bis-benzimidazolium salts and Ag(I)-NHC complexes: In vitroanticancer studies)","Chemistry Central Journal","2013","7","","27","","10.1186/1752-153X-7-27","","","0.71073","MoKα","","0.0457","0.0334","","","0.0598","0.063","","","","","","0.934","","","","has coordinates","201069","2020-10-21","18:00:00",""
"1547251","16.3719","0.0004","10.0392","0.0002","19.1499","0.0004","90","","96.896","0.001","90","","3124.72","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 F12 N4 P2 -","- C28 H32 F12 N4 P2 -","- C112 H128 F48 N16 P8 -","4","1","","Muhammad Adnan Iqbal; Rosenani A Haque; Siti Fatimah Nasri; AMS Abdul Majid; Mohamed B Khadeer Ahamed; Elham Farsi; Tabinda Fatima","Potential of silver against human colon cancer: (synthesis, characterization and crystal structures of xylyl (Ortho, meta, & Para) linked bis-benzimidazolium salts and Ag(I)-NHC complexes: In vitroanticancer studies)","Chemistry Central Journal","2013","7","","27","","10.1186/1752-153X-7-27","","","0.71073","MoKα","","0.0707","0.0522","","","0.1309","0.1531","","","","","","1.041","","","","has coordinates","201070","2020-10-21","18:00:00",""
"1547252","12.0379","0.0006","10.2165","0.0005","12.7232","0.0006","90","","96.236","0.001","90","","1555.51","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 F12 N4 P2 -","- C28 H32 F12 N4 P2 -","- C56 H64 F24 N8 P4 -","2","0.5","","Muhammad Adnan Iqbal; Rosenani A Haque; Siti Fatimah Nasri; AMS Abdul Majid; Mohamed B Khadeer Ahamed; Elham Farsi; Tabinda Fatima","Potential of silver against human colon cancer: (synthesis, characterization and crystal structures of xylyl (Ortho, meta, & Para) linked bis-benzimidazolium salts and Ag(I)-NHC complexes: In vitroanticancer studies)","Chemistry Central Journal","2013","7","","27","","10.1186/1752-153X-7-27","","","0.71073","MoKα","","0.0456","0.037","","","0.1068","0.1134","","","","","","1.043","","","","has coordinates","201071","2020-10-21","18:00:00",""
"1547257","9.5682","0.0002","15.8094","0.0004","13.5902","0.0002","90","","99.76","0.001","90","","2026","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O6 -","- C23 H24 O6 -","- C92 H96 O24 -","4","1","","Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket","Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination","Chemistry Central Journal","2013","7","","107","","10.1186/1752-153X-7-107","","","0.71069","MoKα","","0.1058","0.0671","","","0.1655","0.2056","","","","","","1.094","","","","has coordinates","201076","2020-10-21","18:00:00",""
"1547258","30.699","0.005","8.444","0.005","8.788","0.005","90","","90","","90","","2278","1.9","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H24 O7 -","- C24 H24 O7 -","- C96 H96 O28 -","4","0.5","","Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket","Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination","Chemistry Central Journal","2013","7","","107","","10.1186/1752-153X-7-107","","","0.71072","MoKα","","0.0891","0.0701","","","0.2122","0.231","","","","","","1.053","","","","has coordinates","201077","2020-10-21","18:00:00",""
"1547259","7.9853","0.0003","27.0569","0.0008","19.2058","0.0005","90","","101.888","0.003","90","","4060.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 O6 -","- C23 H24 O6 -","- C184 H192 O48 -","8","2","","Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket","Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination","Chemistry Central Journal","2013","7","","107","","10.1186/1752-153X-7-107","","","0.71073","MoKα","","0.1256","0.0642","","","0.162","0.1897","","","","","","1.058","","","","has coordinates","201078","2020-10-21","18:00:00",""
"1547260","10.8388","0.0003","8.8885","0.0003","22.1827","0.0007","90","","100.433","0.003","90","","2101.76","0.12","291","2","291","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","3-nitroso-2-phenylimidazo[1,2-a]pyridine","","- C13 H9 N3 O -","- C13 H9 N3 O -","- C104 H72 N24 O8 -","8","2","","Manuel Velazquez-Ponce; Hector Salgado-Zamora; Hugo A Jimenez-Vazquez; Maria Elena Campos-Aldrete; Rogelio Jimenez; Humberto Cervantes; Taibi Ben Hadda","Intramolecular H-bonding interaction in angular 3-pi-EWG substituted imidazo[1,2-a]pyridines contributes to conformational preference","Chemistry Central Journal","2013","7","","20","","10.1186/1752-153X-7-20","","x-ray","0.71073","MoKα","","0.1249","0.0754","","","0.134","0.1481","","","","","","1.125","","","","has coordinates","201079","2020-10-21","18:00:00",""
"1547347","4.9877","","4.9877","","17.053","0.0003","90","","90","","120","","367.394","0.006","294","","294","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0134","0.0133","","","0.0201","0.0201","","","","1.69","1.69","1.68","","","","has coordinates","288072","2023-12-06","13:08:11",""
"1547348","4.988","","4.988","","17.0607","0.0003","90","","90","","120","","367.604","0.006","294","","294","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0181","0.0177","","","0.024","0.0241","","","","1.85","1.85","1.83","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547349","4.986","","4.986","","17.0592","0.0003","90","","90","","120","","367.277","0.006","294","","294","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.018","0.0173","","","0.023","0.0231","","","","1.81","1.81","1.77","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547350","4.9876","","4.9876","","17.0575","0.0005","90","","90","","120","","367.476","0.011","295","","295","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0207","0.0207","","","0.0264","0.0264","","","","2.18","2.18","2.17","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547351","4.9804","0.0001","4.9804","0.0001","17.1932","0.0005","90","","90","","120","","369.331","0.015","580","","580","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71069","MoKα","","0.0277","0.0277","","","0.0308","0.0308","","","","2.39","2.39","2.39","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547352","4.978","0.0001","4.978","0.0001","17.2509","0.0005","90","","90","","120","","370.213","0.015","683","","683","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71069","MoKα","","0.0171","0.0171","","","0.0273","0.0273","","","","2.16","2.16","2.16","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547353","4.9763","0.0001","4.9763","0.0001","17.3134","0.0005","90","","90","","120","","371.301","0.015","787","","787","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71069","MoKα","","0.0271","0.0269","","","0.0342","0.0344","","","","2.68","2.68","2.67","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547354","4.9768","","4.9768","","17.3026","0.0004","90","","90","","120","","371.144","0.009","787","","787","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0197","0.0197","","","","1.61","1.61","1.6","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547355","4.9756","","4.9756","","17.3717","0.0003","90","","90","","120","","372.446","0.006","891","","891","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0174","0.0159","","","0.022","0.0223","","","","1.58","1.58","1.52","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547356","4.9752","","4.9752","","17.445","0.0004","90","","90","","120","","373.958","0.009","974","","974","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0335","0.0283","","","0.032","0.0328","","","","2.13","2.13","1.94","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547370","4.9747","","4.9747","","17.4468","0.0003","90","","90","","120","","373.921","0.006","995","","995","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0207","0.0197","","","0.0239","0.0243","","","","1.89","1.89","1.81","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547371","4.9694","","4.9694","","17.758","0.0003","90","","90","","120","","379.78","0.006","1213","","1213","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0551","0.0388","","","0.0558","0.0683","","","","1.43","1.43","1.27","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547372","4.9679","","4.9679","","17.809","0.0003","90","","90","","120","","380.641","0.006","1234","","1234","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.045","0.0341","","","0.0562","0.0574","","","","4.37","4.37","3.66","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547373","4.9745","","4.9745","","17.4912","0.0003","90","","90","","120","","374.843","0.006","1037","","1037","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0243","0.0217","","","0.025","0.0256","","","","1.72","1.72","1.63","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547374","4.9746","","4.9746","","17.5316","0.0003","90","","90","","120","","375.724","0.006","1058","","1058","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0279","0.0213","","","0.0262","0.0278","","","","1.65","1.65","1.48","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547375","4.9738","","4.9738","","17.5413","0.0003","90","","90","","120","","375.811","0.006","1078","","1078","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0229","0.0201","","","0.025","0.0255","","","","1.73","1.73","1.6","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547376","4.9738","","4.9738","","17.5547","0.0003","90","","90","","120","","376.098","0.006","1099","","1099","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0243","0.0201","","","0.0261","0.0269","","","","1.81","1.81","1.67","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547377","4.9738","","4.9738","","17.5798","0.0003","90","","90","","120","","376.635","0.006","1120","","1120","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0271","0.0225","","","0.0275","0.0287","","","","1.89","1.89","1.76","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547378","4.9725","","4.9725","","17.6257","0.0003","90","","90","","120","","377.421","0.006","1151","","1151","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0221","0.0211","","","0.0295","0.0297","","","","2.3","2.3","2.17","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547379","4.9728","","4.9728","","17.6811","0.0003","90","","90","","120","","378.653","0.006","1182","","1182","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0322","0.0249","","","0.0334","0.0345","","","","2.27","2.27","1.96","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547380","4.9714","","4.9714","","17.6902","0.0003","90","","90","","120","","378.635","0.006","1192","","1192","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0262","0.0235","","","0.0326","0.0333","","","","2.58","2.58","2.39","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547381","4.9699","","4.9699","","8.9166","","90","","90","","120","","190.733","","1254","","1254","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C Ca O3 -","- C Ca O3 -","- C3 Ca3 O9 -","3","0.0833333","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0345","0.024","","","0.0287","0.0312","","","","1.91","1.91","1.63","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547382","4.9689","","4.9689","","8.9364","","90","","90","","120","","191.079","","1275","","1275","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C Ca O3 -","- C Ca O3 -","- C3 Ca3 O9 -","3","0.0833333","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0394","0.0251","","","0.0284","0.031","","","","1.86","1.86","1.57","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547383","9.0107","0.0006","22.8169","0.0016","25.9541","0.0017","90","","90","","90","","5336.1","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C57 H61 Au Cl4 O3 P -","- C57 H61 Au Cl4 O3 P -","- C228 H244 Au4 Cl16 O12 P4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0834","0.0511","","","0.1045","0.1164","","","","","","1.02","","","","has coordinates","201356","2020-10-21","18:00:00",""
"1547384","9.7873","0.0003","12.8393","0.0004","39.6173","0.0013","90","","90","","90","","4978.4","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C62 H45 Au Cl O3 P Si2 -","- C62 H45 Au Cl O3 P Si2 -","- C248 H180 Au4 Cl4 O12 P4 Si8 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0389","0.036","","","0.0841","0.085","","","","","","1.118","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547385","13.2861","0.0014","13.2861","0.0014","14.7974","0.0015","90","","90","","90","","2612","0.5","100","2","100","2","","","","","","","","6","P 41","P 4w","76","","","","- C32 H25 Au Cl Fe P -","- C32 H25 Au Cl Fe P -","- C128 H100 Au4 Cl4 Fe4 P4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0302","0.0287","","","0.0788","0.0805","","","","","","0.864","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547386","9.7478","0.0014","9.7478","0.0014","23.296","0.003","90","","90","","120","","1917","0.5","100","2","100","2","","","","","","","","6","P 31","P 31","144","","","","- C28 H33 Au Cl Fe P -","- C28 H33 Au Cl Fe P -","- C84 H99 Au3 Cl3 Fe3 P3 -","3","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0496","0.0483","","","0.1219","0.1231","","","","","","1.063","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547387","9.6442","0.0011","15.8547","0.0015","17.74","0.002","90","","90","","90","","2712.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Fe O S -","- C32 H38 Fe O S -","- C128 H152 Fe4 O4 S4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0532","0.0439","","","0.1062","0.1108","","","","","","1.035","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547388","19.461","0.002","9.2739","0.0011","20.008","0.002","90","","112.325","0.002","90","","3340.4","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H57 Au Cl O3 P -","- C30 H57 Au Cl O3 P -","- C120 H228 Au4 Cl4 O12 P4 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","0.71073","MoKα","","0.0805","0.0687","","","0.1694","0.1771","","","","","","1.048","","","","has coordinates","288243","2023-12-12","09:57:13",""
"1547389","11.6873","0.0011","13.7576","0.0019","34.499","0.004","90","","90","","90","","5547.1","1.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H47 O4 P Si2 -","- C63 H47 O4 P Si2 -","- C252 H188 O16 P4 Si8 -","4","1","","Nicolas Delpont; Imma Escofet; Patricia Perez-Galen; Dirk Spiegl; Mihai Raducan; Christophe Bour; Riccardo Sinisi; Antonio M. Echavarrena","Modular chiral gold(i) phosphite complexes","Catalysis Science & Technology","2013","3","","3007","3012","10.1039/c3cy00250k","","","1.54178","CuKα","","0.0678","0.0597","","","0.1597","0.1652","","","","","","1.269","","","","has coordinates,has disorder","288243","2023-12-12","09:57:13",""
"1547390","10.025","0.002","13.356","0.003","11.964","0.002","90","","94.19","0.03","90","","1597.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2-(3-Cyano-4,6-dimethyl-2-oxo-2H-pyridin-1-yl)-ethoxy]-4,6-dimethyl- nicotinonitrile","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C72 H72 N16 O8 -","4","1","","Rashmi Dubey; Ashish Kumar Tewari; Ved Prakash Singh; Praveen Singh; Jawahar Singh Dangi; Carmen Puerta; Pedro Valerga; Rajni Kant","Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry","Tne Scientific World Journal","2013","2013","","309710","","10.1155/2013/309710","","x-ray","0.71073","MoKα","","0.0528","0.0505","","","0.1041","0.1054","","","","","","1.049","","","","has coordinates","201363","2020-10-21","18:00:00",""
"1547391","10.0026","0.0004","13.658","0.0008","12.0838","0.0007","90","","93.802","0.004","90","","1647.2","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-[2-(3-Cyano-4,6-dimethyl-2-oxo-2H-pyridin-1-yl)-ethoxy]-4,6-dimethyl- nicotinonitrile","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C72 H72 N16 O8 -","4","1","","Rashmi Dubey; Ashish Kumar Tewari; Ved Prakash Singh; Praveen Singh; Jawahar Singh Dangi; Carmen Puerta; Pedro Valerga; Rajni Kant","Molecular Docking Study of Conformational Polymorph: Building Block of Crystal Chemistry","Tne Scientific World Journal","2013","2013","","309710","","10.1155/2013/309710","","","0.71073","MoKα","","0.2097","0.0595","","","0.166","0.2105","","","","","","0.713","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547479","7.3454","0.0003","10.9165","0.0005","22.3527","0.0009","90","","90","","90","","1792.37","0.13","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","","Shibuya, Grant M.; Enquist, John A., Jr.; Stoltz, Brian M.","Enantioselective Synthesis of the 5-6-7 Carbocyclic Core of the Gagunin Diterpenoids","Organic Letters","2013","15","","3480","3483","10.1021/ol401514s","","","0.71073","MoKα","","0.0551","0.0424","","","0.0761","0.0771","","","","","","2.224","","","","has coordinates,has disorder","201509","2020-10-21","18:00:00",""
"1547480","7.1115","0.0003","8.2413","0.0004","26.074","0.0011","90","","90","","90","","1528.15","0.12","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Shibuya, Grant M.; Enquist, John A., Jr.; Stoltz, Brian M.","Enantioselective Synthesis of the 5-6-7 Carbocyclic Core of the Gagunin Diterpenoids","Organic Letters","2013","15","","3480","3483","10.1021/ol401514s","","","0.71073","MoKα","","0.0605","0.0487","","","0.0732","0.0743","","","","","","2.066","","","","has coordinates","201510","2020-10-21","18:00:00",""
"1547481","13.5027","0.0013","19.1805","0.0017","27.433","0.003","90","","91.337","0.004","90","","7102.9","1.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H55 Ca F9 Mn3 N6 O20 S3 -","- C68 H55 Ca F9 Mn3 N6 O20 S3 -","- C272 H220 Ca4 F36 Mn12 N24 O80 S12 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1357","0.0647","","","0.0834","0.0879","","","","","","1.901","","","","has coordinates,has disorder","201511","2020-10-21","18:00:00",""
"1547482","14.7053","0.0008","14.7735","0.0008","18.5085","0.0011","69.988","0.003","72.802","0.003","69.91","0.002","3475.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H45 Ca F9 Mn3 N6 O21 S3 -","- C64 H45 Ca F9 Mn3 N6 O21 S3 -","- C128 H90 Ca2 F18 Mn6 N12 O42 S6 -","2","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.0572","0.0516","","","0.1732","0.1773","","","","","","1.669","","","","has coordinates","201512","2020-10-21","18:00:00",""
"1547483","11.679","0.0004","27.0308","0.0009","25.7452","0.0009","90","","93.682","0.002","90","","8110.8","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H65 Ca F6 Mn3 N6 O19 S2 -","- C76 H65 Ca F6 Mn3 N6 O19 S2 -","- C304 H260 Ca4 F24 Mn12 N24 O76 S8 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1808","0.0939","","","0.2338","0.2615","","","","","","1.351","","","","has coordinates,has disorder","201513","2020-10-21","18:00:00",""
"1547484","16.0744","0.0008","26.0588","0.0013","20.2364","0.0011","90","","105.055","0.003","90","","8185.7","0.7","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C75 H57 Cl2 F9 Mn3 N6 O20 S3 Sr -","- C75 H57 Cl2 F9 Mn3 N6 O20 S3 Sr -","- C300 H228 Cl8 F36 Mn12 N24 O80 S12 Sr4 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1455","0.1018","","","0.3081","0.3347","","","","","","1.683","","","","has coordinates,has disorder","201514","2020-10-21","18:00:00",""
"1547485","11.7071","0.0004","27.1019","0.0012","25.4494","0.0011","90","","93.564","0.002","90","","8059.1","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H65 F6 Mn3 N6 O19 S2 Sr -","- C76 H65 F6 Mn3 N6 O19 S2 Sr -","- C304 H260 F24 Mn12 N24 O76 S8 Sr4 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1584","0.0865","","","0.1959","0.2193","","","","","","1.11","","","","has coordinates,has disorder","201515","2020-10-21","18:00:00",""
"1547486","14.3484","0.0008","14.3923","0.0007","18.5632","0.0009","72.643","0.003","73.273","0.003","70.956","0.003","3380.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C67.4 H47.11 F9 Mn3 N7.7 O18 S3 Zn -","- C67.404 H47.106 F9 Mn3 N7.702 O18 S3 Zn -","- C134.808 H94.212 F18 Mn6 N15.404 O36 S6 Zn2 -","2","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1119","0.0694","","","0.2015","0.2216","","","","","","1.466","","","","has coordinates,has disorder","201516","2020-10-21","18:00:00",""
"1547487","13.5641","0.0016","15.0073","0.0017","16.813","0.002","102.848","0.004","109.783","0.004","93.581","0.004","3104.3","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C126 H90 F12 Mn6 N12 Na2 O31.74 S4 -","- C126 H90 F12 Mn6 N12 Na2 O31.74 S4 -","- C126 H90 F12 Mn6 N12 Na2 O31.74 S4 -","1","0.5","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.1426","0.0711","","","0.1588","0.1841","","","","","","1.434","","","","has coordinates,has disorder","201517","2020-10-21","18:00:00",""
"1547488","14.7253","0.0017","25.28","0.003","23.717","0.003","90","","102.212","0.006","90","","8629","1.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C72 H65 F9 Mn3 N6 O21 S3 Y -","- C72 H65 F9 Mn3 N6 O21 S3 Y -","- C288 H260 F36 Mn12 N24 O84 S12 Y4 -","4","1","","Tsui, Emily Y.; Tran, Rosalie; Yano, Junko; Agapie, Theodor","Redox-inactive metals modulate the reduction potential in heterometallic manganese-oxido clusters","Nature Chemistry","2013","5","","293","299","10.1038/NCHEM.1578","","","0.71073","MoKα","","0.0794","0.0515","","","0.1233","0.1318","","","","","","1.07","","","","has coordinates","201518","2020-10-21","18:00:00",""
"1548317","6.991","0.005","10.778","0.005","15.575","0.005","90","","90","","90","","1173.6","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cu N4 O5 -","- C8 H12 Cu N4 O5 -","- C32 H48 Cu4 N16 O20 -","4","1","","Carlos Carbonell; Kyriakos C. Stylianou; Jordi Hernando; Emi Evangelio; Sarah A. Barnett; Saju Nettikadan; Inhar Imaz; Daniel Maspoch","Femtolitre chemistry assisted by microfluidic pen lithography","Nature Communications","2013","4","","2173","","10.1038/ncomms3173","","","0.71073","MoKα","","0.1272","0.069","","","0.1471","0.1805","","","","","","0.913","","","","has coordinates","203780","2020-10-21","18:00:00",""
"1548318","8.768","0.005","15.22","0.005","18.86","0.005","90","","90","","90","","2516.8","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 N8 Ni O13 -","- C16 H36 N8 Ni O13 -","- C64 H144 N32 Ni4 O52 -","4","1","","Carlos Carbonell; Kyriakos C. Stylianou; Jordi Hernando; Emi Evangelio; Sarah A. Barnett; Saju Nettikadan; Inhar Imaz; Daniel Maspoch","Femtolitre chemistry assisted by microfluidic pen lithography","Nature Communications","2013","4","","2173","","10.1038/ncomms3173","","","0.71073","MoKα","","0.1234","0.0926","","","0.2144","0.2404","","","","","","1.037","","","","has coordinates","203781","2020-10-21","18:00:00",""
"1548323","9.1469","0.0018","10.368","0.002","12.092","0.002","86.48","0.03","88.75","0.03","75.41","0.03","1107.6","0.4","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 Cl18 S4 -","- C44 Cl18 S4 -","- C44 Cl18 S4 -","1","0.5","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54178","CuKα","","0.1578","0.091","","","0.2284","0.2833","","","","","","1.066","","","","has coordinates","203786","2020-10-21","18:00:00",""
"1548324","12.861","0.002","28.435","0.004","10.629","0.003","90","","97.155","0.018","90","","3856.8","1.4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C48 Cl18 -","- C48 Cl18 -","- C192 Cl72 -","4","0.5","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54184","CuKα","","0.0988","0.0825","","","0.239","0.2542","","","","","","1.143","","","","has coordinates","203787","2020-10-21","18:00:00",""
"1548325","27.683","0.006","21.998","0.004","21.006","0.004","90","","91.15","0.03","90","","12789","4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 Cl22 -","- C60 Cl22 -","- C480 Cl176 -","8","1","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","0.71073","MoKα","","0.0978","0.0651","","","0.1289","0.1397","","","","","","0.925","","","","has coordinates","203788","2020-10-21","18:00:00",""
"1548326","20.4128","0.0007","22.9777","0.0006","15.0794","0.0005","90","","108.949","0.004","90","","6689.5","0.4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 Cl24 -","- C60 Cl24 -","- C240 Cl96 -","4","0.5","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54184","CuKα","","0.0479","0.0369","","","0.0908","0.0959","","","","","","0.994","","","","has coordinates","203789","2020-10-21","18:00:00",""
"1548327","36.715","0.004","22.1591","0.0012","24.607","0.003","90","","116.242","0.014","90","","17956","4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C96 H3 Cl27 -","- C96 H3 Cl27 -","- C768 H24 Cl216 -","8","1","","Yuan-Zhi Tan; Bo Yang; Khaled Parvez; Akimitsu Narita; Silvio Osella; David Beljonne; Xinliang Feng; Klaus Mullen","Atomically precise edge chlorination of nanographenes and its application in graphene nanoribbons","Nature Communications","2013","4","","2646","","10.1038/ncomms3646","","","1.54184","CuKα","","0.1245","0.062","","","0.1431","0.1681","","","","","","0.811","","","","has coordinates","203790","2020-10-21","18:00:00",""
"1548329","23.7764","0.0005","14.2049","0.0006","16.3214","0.0004","90","","90","","90","","5512.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C72 H120 Au Br4 K O68 -","- C72 H120 Au Br4 K O68 -","- C144 H240 Au2 Br8 K2 O136 -","2","0.5","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54178","CuKα","","0.1097","0.1072","","","0.2817","0.2835","","","","","","1.129","","","","has coordinates","203814","2020-10-21","18:00:00",""
"1548330","16.2732","0.0009","14.186","0.0008","23.6996","0.0012","90","","90.041","0.004","90","","5471.1","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C72 H115 Au Cl4 K O68 -","- C72 H115 Au Cl4 K O68 -","- C144 H230 Au2 Cl8 K2 O136 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","0.71073","MoKα","","0.1064","0.0674","","","0.1694","0.1867","","","","","","0.987","","","","has coordinates,has disorder","203815","2020-10-21","18:00:00",""
"1548331","15.8246","0.0004","24.5009","0.0006","19.0924","0.0005","90","","108.401","0.001","90","","7024","0.3","109","2","109.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H143 Au Br4 K O72 -","- C84 H143 Au Br4 K O72 -","- C168 H286 Au2 Br8 K2 O144 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54184","CuKα","","0.0829","0.08","","","0.218","0.2225","","","","","","1.032","","","","has coordinates,has disorder","203816","2020-10-21","18:00:00",""
"1548332","15.7337","0.0003","24.3445","0.0005","19.2645","0.0004","90","","108.748","0.001","90","","6987.4","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C84 H134 Au0.79 Cl3.36 K O92 -","- C84 H134 Au0.786 Cl3.3586 K O92 -","- C168 H268 Au1.572 Cl6.7172 K2 O184 -","2","1","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54178","CuKα","","0.0618","0.0601","","","0.1614","0.163","","","","","","1.058","","","","has coordinates,has disorder","203817","2020-10-21","18:00:00",""
"1548333","23.6711","0.0011","23.6711","","22.7697","0.0014","90","","90","","90","","12758.3","1","100","2","100","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H240 Au Br4 O124 -","- C144 H240 Au Br4 O124 -","- C288 H480 Au2 Br8 O248 -","2","0.25","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","0.71073","MoKα","","0.1909","0.0822","","","0.2141","0.2461","","","","","","0.832","","","","has coordinates","203818","2020-10-21","18:00:00",""
"1548334","23.6973","0.0003","23.6973","0.0003","22.8929","0.0004","90","","90","","90","","12855.8","0.3","100","2","100.01","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H240 Au Cl4 O120 -","- C144 H240 Au Cl4 O120 -","- C288 H480 Au2 Cl8 O240 -","2","0.25","","Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart","Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin","Nature Communications","2013","4","","1855","","10.1038/ncomms2891","","","1.54184","CuKα","","0.0615","0.0542","","","0.1643","0.1696","","","","","","1.061","","","","has coordinates,has disorder","203819","2020-10-21","18:00:00",""
"1548335","17","0.0011","17","0.0011","17","0.0011","90","","90","","90","","4913","0.6","135","2","135","2","","","","","","","synthesis as described","5","I -4 3 m","I -4 2 3","217","","NOF-1","","- C6 H4 N6 O4 Zn -","- C6 H4 N6 O4 Zn -","- C72 H48 N72 O48 Zn12 -","12","0.25","","Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa","Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform","Nature Communications","2013","4","","2684","","10.1038/ncomms3684","","","0.71075","MoKα","","0.0747","0.0746","","","0.1731","0.1731","","","","","","1.231","","","","has coordinates","203820","2020-10-21","18:00:00",""
"1548336","23.132","0.003","23.132","0.003","15.528","0.003","90","","90","","120","","7195.7","1.9","243","2","243","2","","","","","","","synthesis as described","5","R -3 m :H","-R 3 2""","166","","NOF-2 ?","","- C8 H8 N6 O4 Zn -","- C8 H8 N6 O4 Zn -","- C144 H144 N108 O72 Zn18 -","18","0.5","","Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa","Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform","Nature Communications","2013","4","","2684","","10.1038/ncomms3684","","","0.710735","MoKα","","0.0589","0.0577","","","0.1767","0.1777","","","","","","1.143","","","","has coordinates,has disorder","203821","2020-10-21","18:00:00",""
"1548337","14.268","0.003","4.5707","0.0011","10.746","0.003","90","","90","","90","","700.8","0.3","123","2","123","2","","","","","","","synthesis as described","5","P c a 21","P 2c -2ac","29","","NOF-3","","- C4 H3 N3 O4 Zn -","- C4 H3 N3 O4 Zn -","- C16 H12 N12 O16 Zn4 -","4","1","","Stephane Diring; Dan Ohtan Wang; Chiwon Kim; Mio Kondo; Yong Chen; Susumu Kitagawa; Ken-ichiro Kamei; Shuhei Furukawa","Localized cell stimulation by nitric oxide using a photoactive porous coordination polymer platform","Nature Communications","2013","4","","2684","","10.1038/ncomms3684","","","0.71075","MoKα","","0.0175","0.0172","","","0.0465","0.0468","","","","","","1.075","","","","has coordinates","203822","2020-10-21","18:00:00",""
"1548338","38.527","0.002","38.527","0.002","38.527","0.002","90","","90","","90","","57187","5","296","2","296","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C108 H36 Cd6 Cl3 N24 O48 -","- C108 H36 Cd6 Cl3 N24 O48 -","- C864 H288 Cd48 Cl24 N192 O384 -","8","0.0416667","","Chun-Yi Sun; Xin-Long Wang; Xiao Zhang; Chao Qin; Peng Li; Zhong-Min Su; Dong-Xia Zhu; Guo-Gang Shan; Kui-Zhan Shao; Han Wu; Jing Li","Efficient and tunable white-light emission of metal-organic frameworks by iridium-complex encapsulation","Nature Communications","2013","3","","2717","","10.1038/ncomms3717","","","0.71073","MoKα","","0.0908","0.0776","","","0.2192","0.2339","","","","","","1.042","","","","has coordinates,has disorder","203823","2020-10-21","18:00:00",""
"1548604","19.957","0.004","9.858","0.002","15.78","0.003","90","","99.02","0.03","90","","3066.1","1.1","","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 N2 O7 -","- C12 N2 O7 -","- C96 N16 O56 -","8","1","","Yu-Qiang Zhou; Nai-Xing Wang; Yalan Xing; Yan-Jing Wang; Xiao-Wei Hong; Jia-Xiang Zhang; Dong-Dong Chen; Jing-Bo Geng; Yanfeng Dang; Zhi-Xiang Wang","Stable acyclic aliphatic solid enols: synthesis, characterization, X-ray structure analysis and calculations","Scientific Reports","2013","3","","1058","","10.1038/srep01058","","x-ray","0.71073","MoKα","","0.0941","0.0862","","","0.2161","0.222","","","","","","1.215","","","","has coordinates","204751","2020-10-21","18:00:00",""
"1548605","8.6838","0.0017","8.8343","0.0018","10.114","0.002","80.33","0.03","72.94","0.03","67.07","0.03","681.9","0.3","","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 N2 O6 -","- C11 N2 O6 -","- C22 N4 O12 -","2","1","","Yu-Qiang Zhou; Nai-Xing Wang; Yalan Xing; Yan-Jing Wang; Xiao-Wei Hong; Jia-Xiang Zhang; Dong-Dong Chen; Jing-Bo Geng; Yanfeng Dang; Zhi-Xiang Wang","Stable acyclic aliphatic solid enols: synthesis, characterization, X-ray structure analysis and calculations","Scientific Reports","2013","3","","1058","","10.1038/srep01058","","x-ray","0.71073","MoKα","","0.0736","0.0653","","","0.1665","0.1736","","","","","","1.157","","","","has coordinates","204752","2020-10-21","18:00:00",""
"1548691","23.7684","0.0015","27.1189","0.0015","19.3749","0.0019","90","","124.292","0.003","90","","10317.7","1.4","90","0.5","90","0.5","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50.02 H45.02 Cl3.06 Cu N7 O6 -","- C49 H44 Cu N7 O6 -","- C392 H352 Cu8 N56 O48 -","8","1","","Manuela Stefanelli; Sara Nardis; Frank R. Fronczek; Kevin M. Smith; Roberto Paolesse","Copper beta-trinitrocorrolates","Journal of Porphyrins and Phthalocyanines","2013","17","","440","","10.1142/S1088424613500120","","","1.54178","CuKα","","0.178","0.09","","","0.2233","0.2524","","","","","","0.884","","","","has coordinates","205247","2020-10-21","18:00:00",""
"1548713","10.2565","0.0004","10.9066","0.0009","12.5276","0.0013","111.095","0.012","96.075","0.008","105.626","0.007","1226.7","0.2","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl Fe N4 O4 -","- C28 H28 Cl Fe N4 O4 -","- C56 H56 Cl2 Fe2 N8 O8 -","2","1","","Ming Li; Allen G. Oliver; Teresa J. Neal; Charles E. Schulz; W. Robert Scheidt","Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO3)] and [Fe(TPrP)(THF)2]ClO4 (alkyl = Ethyl, Et and n-Propyl, Pr)","Journal of Porphyrins and Phthalocyanines","2013","17","","118","124","10.1142/S1088424612501362","","","0.71073","MoKα","","0.0528","0.0471","","","0.1239","0.128","","","","","","1.028","","","","has coordinates","205355","2020-10-21","18:00:00",""
"1548714","10.8344","0.001","11.889","0.002","12.0571","0.0009","88.145","0.011","80.165","0.011","72.371","0.01","1458.1","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Cl Fe N4 O4 -","- C32 H36 Cl Fe N4 O4 -","- C64 H72 Cl2 Fe2 N8 O8 -","2","1","","Ming Li; Allen G. Oliver; Teresa J. Neal; Charles E. Schulz; W. Robert Scheidt","Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO3)] and [Fe(TPrP)(THF)2]ClO4 (alkyl = Ethyl, Et and n-Propyl, Pr)","Journal of Porphyrins and Phthalocyanines","2013","17","","118","124","10.1142/S1088424612501362","","","0.71073","MoKα","","0.073","0.0588","","","0.136","0.1452","","","","","","1.033","","","","has coordinates,has disorder","205356","2020-10-21","18:00:00",""
"1548715","23.085","0.002","18.8929","0.0005","9.484","0.0004","90","","90","","90","","4136.4","0.4","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H60 Cl Fe N4 O7 -","- C44 H60 Cl Fe N4 O7 -","- C176 H240 Cl4 Fe4 N16 O28 -","4","1","","Ming Li; Allen G. Oliver; Teresa J. Neal; Charles E. Schulz; W. Robert Scheidt","Effect of the Ruffled Porphyrin Ring on Electronic Structures: Structure and Characterization of [Fe(TalkylP)(OClO3)] and [Fe(TPrP)(THF)2]ClO4 (alkyl = Ethyl, Et and n-Propyl, Pr)","Journal of Porphyrins and Phthalocyanines","2013","17","","118","124","10.1142/S1088424612501362","","","0.71073","MoKα","","0.1063","0.0873","","","0.2151","0.232","","","","","","1.045","","","","has coordinates,has disorder","205357","2020-10-21","18:00:00",""
"1548719","9.0668","0.0004","10.6056","0.0005","10.7678","0.0005","71.159","0.004","77.492","0.004","82.891","0.004","955.06","0.08","","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Agnieszka Skotnicka; Erkki Kolehmainen; Przemyslaw Czelen; Arto Valkonen; Ryszard Gawinecki","Synthesis and Structural Characterization of Substituted 2-Phenacylbenzoxazoles","International Journal of Molecular Sciences","2013","14","","4444","4460","10.3390/ijms14034444","","x-ray","1.54184","CuKα","","0.0486","0.0384","","","0.0938","0.102","","","","","","1.048","","","","has coordinates","205368","2020-10-21","18:00:00",""
"1548720","8.2713","0.0003","11.0619","0.0004","11.1918","0.0004","108.347","0.003","104.143","0.003","93.746","0.003","931.17","0.06","","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C48 H38 N2 O6 -","2","1","","Agnieszka Skotnicka; Erkki Kolehmainen; Przemyslaw Czelen; Arto Valkonen; Ryszard Gawinecki","Synthesis and Structural Characterization of Substituted 2-Phenacylbenzoxazoles","International Journal of Molecular Sciences","2013","14","","4444","4460","10.3390/ijms14034444","","x-ray","1.54184","CuKα","","0.0428","0.0383","","","0.0988","0.1027","","","","","","1.022","","","","has coordinates","205369","2020-10-21","18:00:00",""
"1548763","14.4394","0.0009","14.5514","0.0009","18.0485","0.0011","80.763","0.003","71.236","0.003","73.47","0.003","3432.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H55 Mn3 N8 O15 Sr -","- C69 H55 Mn3 N8 O15 Sr -","- C138 H110 Mn6 N16 O30 Sr2 -","2","1","","Emily Y. Tsui; Theodor Agapie","Reduction potentials of heterometallic manganese-oxido cubane complexes modulated by redox-inactive metals","Proceedings of the National Academy of Sciences of the United States of America","2013","110","","10084","10088","10.1073/pnas.1302677110","","","0.71073","MoKα","","0.1165","0.0668","","","0.1569","0.1691","","","","","","1.186","","","","has coordinates,has disorder","205537","2020-10-21","18:00:00",""
"1548764","13.5517","0.0007","15.2198","0.0008","16.9998","0.0008","70.865","0.002","81.612","0.002","82.158","0.003","3262.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H54 Mn3 N6 O13 Zn -","- C69 H54 Mn3 N6 O13 Zn -","- C138 H108 Mn6 N12 O26 Zn2 -","2","1","","Emily Y. Tsui; Theodor Agapie","Reduction potentials of heterometallic manganese-oxido cubane complexes modulated by redox-inactive metals","Proceedings of the National Academy of Sciences of the United States of America","2013","110","","10084","10088","10.1073/pnas.1302677110","","","0.71073","MoKα","","0.0721","0.0433","","","0.1053","0.1133","","","","","","1.046","","","","has coordinates","205538","2020-10-21","18:00:00",""
"1548765","12.9611","0.0006","14.9934","0.0007","19.8287","0.0009","84.492","0.002","82.07","0.002","87.566","0.002","3797.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H76 F3 Mn3 N10 O20 S Y -","- C76 H76 F3 Mn3 N10 O20 S Y -","- C152 H152 F6 Mn6 N20 O40 S2 Y2 -","2","1","","Emily Y. Tsui; Theodor Agapie","Reduction potentials of heterometallic manganese-oxido cubane complexes modulated by redox-inactive metals","Proceedings of the National Academy of Sciences of the United States of America","2013","110","","10084","10088","10.1073/pnas.1302677110","","","0.71073","MoKα","","0.0939","0.0536","","","0.125","0.1374","","","","","","1.237","","","","has coordinates","205539","2020-10-21","18:00:00",""
"1548766","13.8808","0.0006","14.6307","0.0006","14.8415","0.0006","84.969","0.002","82.052","0.002","78.193","0.002","2916.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H55 Mn3 N7 O15 Sc -","- C66 H55 Mn3 N7 O15 Sc -","- C132 H110 Mn6 N14 O30 Sc2 -","2","1","","Emily Y. Tsui; Theodor Agapie","Reduction potentials of heterometallic manganese-oxido cubane complexes modulated by redox-inactive metals","Proceedings of the National Academy of Sciences of the United States of America","2013","110","","10084","10088","10.1073/pnas.1302677110","","","0.71073","MoKα","","0.1017","0.0511","","","0.071","0.0757","","","","","","1.542","","","","has coordinates","205541","2020-10-21","18:00:00",""
"1549446","17.898","0.004","22.4914","0.0019","23.4","0.005","90","","90","","90","","9420","3","120","2","120","2","","","","","","","","6","P b n a","-P 2ac 2b","60","","","","- C92 H80 Au4 N16 O13 P4 -","- C92 H80 Au4 N16 O13 P4 -","- C368 H320 Au16 N64 O52 P16 -","4","0.5","","Illán-Cabeza, Nuria A; García-García, Antonio R; Martínez-Martos, José M; Ramírez-Expósito, María J; Peña-Ruiz, Tomás; Moreno-Carretero, Miguel N","A potential antitumor agent, (6-amino-1-methyl-5-nitrosouracilato-N3)-triphenylphosphine-gold(I): structural studies and in vivo biological effects against experimental glioma.","European journal of medicinal chemistry","2013","64","","260","272","10.1016/j.ejmech.2013.03.067","","","0.71073","MoKα","","0.0846","0.0495","","","0.0735","0.0817","","","","","","1.079","","","","has coordinates","207914","2020-10-21","18:00:00",""
"1551334","28.107","0.005","6.679","0.0006","13.398","0.002","90","","117.776","0.013","90","","2225.4","0.6","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H21 Br O10 -","- C19 H21 Br O10 -","- C76 H84 Br4 O40 -","4","1","","Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath","A multistep single-crystal-to-single-crystal bromodiacetylene dimerization","Nature Chemistry","2013","5","","327","334","10.1038/nchem.1575","","","0.71073","MoKα","","0.0764","0.0539","","","0.1286","0.1424","","","","","","1.107","","","","has coordinates,has disorder","215831","2020-10-21","18:00:00",""
"1551335","28.5038","0.0003","6.6628","0.0006","13.4137","0.0007","90","","117.232","0.002","90","","2265.1","0.2","173","","173","","","","","","","","MAT ETH Zurich","4","C 1 2 1","C 2y","5","","","","- C19 H21 Br O10 -","- C19 H21 Br O10 -","- C76 H84 Br4 O40 -","4","1","","Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath","A multistep single-crystal-to-single-crystal bromodiacetylene dimerization","Nature Chemistry","2013","5","","327","334","10.1038/nchem.1575","","","0.71073","MoKα","","0.113","0.0808","","","0.2071","0.2282","","","","","","1.367","","","","has coordinates,has disorder","215832","2020-10-21","18:00:00",""
"1551336","7.2835","0.0002","12.3657","0.0004","24.4205","0.001","90","","90","","90","","2199.45","0.13","223","","223","","","","","","","","MAT ETH Zurich","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Br O10 -","- C19 H21 Br O10 -","- C76 H84 Br4 O40 -","4","1","","Tobias N. Hoheisel; Stephen Schrettl; Roman Marty; Tanya K. Todorova; Clemence Corminboeuf; Andrzej Sienkiewicz; Rosario Scopelliti; W. Bernd Schweizer; Holger Frauenrath","A multistep single-crystal-to-single-crystal bromodiacetylene dimerization","Nature Chemistry","2013","5","","327","334","10.1038/nchem.1575","","","0.71073","MoKα","","0.0756","0.0559","","","0.1501","0.1645","","","","","","1.087","","","","has coordinates","215833","2020-10-21","18:00:00",""
"1551390","13.52","0.002","14.217","0.002","17.557","0.003","103.495","0.002","103.098","0.002","102.405","0.003","3065.8","0.8","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C65 H65 N5 -","- C65 H65 N5 -","- C130 H130 N10 -","2","1","","Semin Lee; Chun-Hsing Chen; Amar H. Flood","A pentagonal cyanostar macrocycle with cyanostilbene CH donors binds anions and forms dialkylphosphate [3]rotaxanes","Nature Chemistry","2013","5","","704","710","10.1038/nchem.1668","","","0.71073","MoKα","","0.1665","0.113","","0.4339","0.3528","0.4339","","","","","","0.9949","","","","has coordinates,has disorder","215919","2020-10-21","18:00:00",""
"1551391","17.781","0.003","18.62","0.003","31.361","0.005","74.262","0.008","76.314","0.009","66.192","0.007","9048","3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C174 H196 N17 O13.5 P -","- C174 H196 N17 O13.5 P -","- C348 H392 N34 O27 P2 -","2","1","","Semin Lee; Chun-Hsing Chen; Amar H. Flood","A pentagonal cyanostar macrocycle with cyanostilbene CH donors binds anions and forms dialkylphosphate [3]rotaxanes","Nature Chemistry","2013","5","","704","710","10.1038/nchem.1668","","","0.71073","MoKα","","0.2004","0.14","","0.3785","0.3307","0.3785","","","","","","0.9925","","","","has coordinates,has disorder","215920","2020-10-21","18:00:00",""
"1551402","35.1918","0.0018","47.1545","0.0018","33.4757","0.001","90","","90","","90","","55551","4","200","2","100","2","","","","","","","synthesis as described","8","P b a m","-P 2 2ab","55","","","","- C448 H415 B7 F6 Fe6 N40 O15 P -","- C508.94 H401 B7.67 F6 Fe6 N40 O15 P -","- C2035.76 H1604 B30.68 F24 Fe24 N160 O60 P4 -","4","0.5","","David A. Leigh; Robin G. Pritchard; Alexander J. Stephens","A Star of David catenane","Nature Chemistry","2013","6","","978","982","10.1038/nchem.2056","","x-ray","0.6889","synchrotron","","0.2373","0.1727","","","0.3425","0.3685","","","","","","1.586","","","","has coordinates,has disorder","215932","2020-10-21","18:00:00",""
"1551419","10.5002","0.0007","10.3073","0.001","16.5868","0.0017","90","","93.853","0.008","90","","1791.1","0.3","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H50 N2 O11 -","- C37 H50 N2 O11 -","- C74 H100 N4 O22 -","2","1","","Russell R. A. Kitson; Chuan-Hsin Chang; Rui Xiong; Huw E. L. Williams; Adrienne L. Davis; William Lewis; Donna L. Dehn; David Siegel; S. Mark Roe; Chrisostomos Prodromou; David Ross; Christopher J. Moody","Synthesis of 19-substituted geldanamycins with altered conformations and their binding to heat shock protein Hsp90","Nature Chemistry","2013","5","","307","314","10.1038/nchem.1596","","","1.5418","CuKα","","0.1233","0.0844","","","0.1962","0.2266","","","","","","1.056","","","","has coordinates","215957","2020-10-21","18:00:00",""
"1551486","6.3339","0.001","15.5864","0.0014","17.6362","0.0017","88.14","0.008","83.243","0.011","78.306","0.01","1693","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 F4 I2 N6 O4 -","- C30 H32 F4 I2 N6 O4 -","- C60 H64 F8 I4 N12 O8 -","2","1","","Lorenzo Meazza; Jonathan A. Foster; Katharina Fucke; Pierangelo Metrangolo; Giuseppe Resnati; Jonathan W. Steed","Halogen-bonding-triggered supramolecular gel formation","Nature Chemistry","2013","5","","42","47","10.1038/nchem.1496","","","0.7107","MoKα","","0.1319","0.0689","","","0.1146","0.1529","","","","","","1.027","","","","has coordinates","216058","2020-10-21","18:00:00",""
"1551487","4.6214","0.0007","9.4623","0.0015","28.332","0.005","90","","91.188","0.003","90","","1238.7","0.3","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 F4 I2 N6 O2 -","- C22 H20 F4 I2 N6 O2 -","- C44 H40 F8 I4 N12 O4 -","2","0.5","","Lorenzo Meazza; Jonathan A. Foster; Katharina Fucke; Pierangelo Metrangolo; Giuseppe Resnati; Jonathan W. Steed","Halogen-bonding-triggered supramolecular gel formation","Nature Chemistry","2013","5","","42","47","10.1038/nchem.1496","","","0.7107","MoKα","","0.051855","0.043799","","","","0.070696","","","","","","1.28163","","","","has coordinates","216059","2020-10-21","18:00:00",""
"1551489","10.181","0.002","16.443","0.003","18.458","0.005","72.977","0.017","83.516","0.018","72.387","0.015","2815.1","1.1","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H34 Cl8 -","- C84 H34 Cl8 -","- C168 H68 Cl16 -","2","1","","Katsuaki Kawasumi; Qianyan Zhang; Yasutomo Segawa; Lawrence T. Scott; Kenichiro Itami","A grossly warped nanographene and the consequences of multiple odd-membered-ring defects","Nature Chemistry","2013","5","","739","744","10.1038/nchem.1704","","","0.71075","MoKα","","0.2215","0.1222","","","0.3111","0.3814","","","","","","1.051","","","","has coordinates,has disorder","288183","2023-12-08","14:42:10",""
"1551546","9.414","0.0002","9.4615","0.0002","23.4843","0.0005","87.8308","0.0017","79.2432","0.0018","63.911","0.002","1843.3","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H54 N2 O3 -","- C43 H54 N2 O3 -","- C86 H108 N4 O6 -","2","1","","Lixu Yang; Catherine Adam; Gary S. Nichol; Scott L. Cockroft","How much do van der Waals dispersion forces contribute to molecular recognition in solution?","Nature Chemistry","2013","5","","1006","1010","10.1038/nchem.1779","","","1.54184","CuKα","","0.0675","0.0656","","","0.1689","0.1706","","","","","","1.038","","","","has coordinates,has disorder","216156","2020-10-21","18:00:00",""
"1551676","17.002","0.005","11.984","0.003","24.361","0.007","90","","92.289","0.004","90","","4960","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H41 N7 Ni O2 -","- C58 H41 N7 Ni O2 -","- C232 H164 N28 Ni4 O8 -","4","1","","ISHIMARU, Yoshihiro; YOKOMIZO, Kunihiko; FUJIHARA, Takashi","Crystal Structure of Nickel(II) 5,10,15,20-Tetraphenyl[1,2-c](4&prime;,5&prime;-dimethyl)imidazolylpyrrolo-21-ethylcarboxylporphyrin","X-ray Structure Analysis Online","2013","29","0","39","","10.2116/xraystruct.29.39","","","0.71073","MoKα","","0.1004","0.054","","","0.1188","0.1342","","","","","","0.943","","","","has coordinates","216287","2020-10-21","18:00:00",""
"1551677","7.6144","0.0015","8.48","0.0016","9.714","0.0019","99.026","0.003","112.749","0.003","103.21","0.003","541.72","0.18","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Mo2 N2 O8 -","- C20 H22 Mo2 N2 O8 -","- C20 H22 Mo2 N2 O8 -","1","0.5","","MIKURIYA, Masahiro; TAKADA, Shohei; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Acetate and trans-1,2-Bis(4-pyridyl)ethylene in Relation to the N2-Adsorption Property","X-ray Structure Analysis Online","2013","29","0","33","","10.2116/xraystruct.29.33","","","0.71073","MoKα","","0.037","0.0336","","","0.0884","0.0898","","","","","","1.08","","","","has coordinates","216288","2020-10-21","18:00:00",""
"1551678","7.8313","0.0012","8.5393","0.0013","9.9498","0.0014","73.412","0.003","68.894","0.002","73.198","0.003","581.86","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Mo2 N2 O8 -","- C20 H24 Mo2 N2 O8 -","- C20 H24 Mo2 N2 O8 -","1","0.5","","MIKURIYA, Masahiro; KAIHARA, Noriaki; YAMAMOTO, Junya; TAKADA, Shohei; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of a Chain Complex of Molybdenum(II) Acetate and 1,2-Bis(4-pyridyl)ethane Aiming at N2-Adsorption Property","X-ray Structure Analysis Online","2013","29","0","31","","10.2116/xraystruct.29.31","","","0.71073","MoKα","","0.0387","0.0309","","","0.0665","0.068","","","","","","0.929","","","","has coordinates","216289","2020-10-21","18:00:00",""
"1551679","7.9265","0.0013","9.3588","0.0015","10.4003","0.0017","76.579","0.003","72.529","0.002","74.249","0.002","698.7","0.2","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H8 Cl4 N2 -","- C13 H8 Cl4 N2 -","- C26 H16 Cl8 N4 -","2","1","","HANDA, Makoto; IKEUE, Takahisa; HARADA, Yasuko; KIMURA, Yuko; NISHIMURA, Takuya; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Crystal Structure of N,N^|^prime;-Bis(3,5-dichlorophenyl)formamidine","X-ray Structure Analysis Online","2013","29","0","25","","10.2116/xraystruct.29.25","","","0.71073","MoKα","","0.03","0.0276","","","0.0759","0.0771","","","","","","1.064","","","","has coordinates","216290","2020-10-21","18:00:00",""
"1551680","16.0463","0.0015","12.8608","0.0008","12.8905","0.0009","90","","90","","90","","2660.2","0.4","93","","93","","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C24 H20 Cu2 N4 O13 S -","- C24 H16 Cu2 N4 O14 S -","- C96 H64 Cu8 N16 O56 S4 -","4","0.5","","YOKOYAMA, Takashi; SHIBA, Takuya; YOSHISE, Masakazu; TODA, Masanori; AKASHI, Haruo; ZENKI, Michio","Crystal Structure of a Copper(II)-2-pyridinecarboxylic Acid Anhydride Complex","X-ray Structure Analysis Online","2013","29","0","27","","10.2116/xraystruct.29.27","","","0.71069","MoKα","","","0.0613","","","","0.1709","","","","","","1.066","","","","has coordinates","216291","2020-10-21","18:00:00",""
"1551681","10.274","0.006","15.689","0.01","11.547","0.007","90","","97.202","0.013","90","","1847","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 N2 O8 Rh2 -","- C14 H24 N2 O8 Rh2 -","- C56 H96 N8 O32 Rh8 -","4","0.5","","MIKURIYA, Masahiro; YAMAMOTO, Junya; OUCHI, Kazuya; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis, Crystal Structure, and N2-Adsorption Property of a Chain Complex of Rhodium(II) Acetate and 1,4-Diazabicyclo[2.2.2]octane","X-ray Structure Analysis Online","2013","29","0","7","","10.2116/xraystruct.29.7","","","0.71073","MoKα","","0.0883","0.0642","","","0.1509","0.1598","","","","","","0.951","","","","has coordinates","216292","2020-10-21","18:00:00",""
"1551682","16.7521","0.0019","13.8506","0.0016","22.607","0.003","90","","97.146","0.003","90","","5204.7","1.1","295","","295","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44.68 Cu I N2 O6.34 P2 S2 -","- C54 H44.68 Cu I N2 O6.34 P2 S2 -","- C216 H178.72 Cu4 I4 N8 O25.36 P8 S8 -","4","1","","AKUTSU, Hiroki; YAMADA, Jun-ichi; NAKATSUJI, Shin'ichi; TURNER, Scott S.","One-Dimensional Anionic Metal-Organic Chain Generated from (Tetraphenylphosphonium)2benzoquinonediiminedisulfonate and CuI","X-ray Structure Analysis Online","2013","29","0","41","","10.2116/xraystruct.29.41","","","0.71075","MoKα","","","0.059","","","","0.1624","","","","","","1.111","","","","has coordinates","216293","2020-10-21","18:00:00",""
"1551683","8.20888","0.00015","11.6639","0.0002","16.3107","0.0003","96.5985","0.0008","93.8393","0.0008","104.678","0.0008","1493.22","0.05","289","","289","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N O3 S2 -","- C15 H13 N O3 S2 -","- C60 H52 N4 O12 S8 -","4","2","","IGARASHI, Ryota; NAGASE, Hiromasa; FURUISHI, Takayuki; ENDO, Tomohiro; TOMONO, Kazuo; UEDA, Haruhisa","Crystal Structure of Epalrestat Non-Solvate","X-ray Structure Analysis Online","2013","29","0","23","","10.2116/xraystruct.29.23","","","1.54187","CuKα","","","0.046","","","","0.1315","","","","","","1.081","","","","has coordinates","216294","2020-10-21","18:00:00",""
"1551684","12.68","0.0005","8.173","0.0005","12.949","0.0009","90","","93.602","0.002","90","","1339.3","0.13","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N5 O2 -","- C11 H17 N5 O2 -","- C44 H68 N20 O8 -","4","1","","MARFO-OWUSU, Emmanuel; YABUUCHI, Kazuhiro; KATO, Takashi; WATKIN, David J.","Crystal Structure of a Short Alkyl Chain Pyridine-Based Bisurea Compound: The Effects of Alkyl Chain Length in a Supramolecule Module","X-ray Structure Analysis Online","2013","29","0","49","","10.2116/xraystruct.29.49","","","0.71073","MoKα","","0.0669","0.0585","","0.1798","0.1704","0.1794","","","","","","0.9447","","","","has coordinates","216295","2020-10-21","18:00:00",""
"1551685","16.762","0.0017","14.8566","0.0014","22.35","0.002","90","","101.238","0.001","90","","5459","0.9","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-methyl-2,4,5-triiodoimidazole","","- C4 H3 I3 N2 -","- C4 H3 I3 N2 -","- C96 H72 I72 N48 -","24","3","","MUKAI, Tomohiro; NISHIKAWA, Keiko","Crystal Structure of 1-Methyl-2,4,5-triiodoimidazole: Formation of a Triangular Trimer through Halogen Bonding","X-ray Structure Analysis Online","2013","29","0","13","","10.2116/xraystruct.29.13","","","0.71073","MoKα","","0.0417","0.0316","","","0.0817","0.0897","","","","","","1.043","","","","has coordinates","216296","2020-10-21","18:00:00",""
"1551686","17.002","0.005","11.984","0.003","24.361","0.007","90","","92.289","0.004","90","","4960","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H41 N7 Ni O2 -","- C58 H41 N7 Ni O2 -","- C232 H164 N28 Ni4 O8 -","4","1","","ISHIMARU, Yoshihiro; KOBAYASHI, Yuta; FUJIHARA, Takashi","Preparation of Nickel(II) 5,10,15,20-Tetraphenyl[1,2-c]pyrrolo-21-ethylcarboxyl-22-dipyrrylmethylporphyrin","X-ray Structure Analysis Online","2013","29","0","37","","10.2116/xraystruct.29.37","","","0.71073","MoKα","","0.1004","0.054","","","0.1188","0.1342","","","","","","0.943","","","","has coordinates","216297","2020-10-21","18:00:00",""
"1551687","10.0628","0.0016","12.1027","0.0019","14.881","0.002","112.191","0.003","93.081","0.003","108.055","0.003","1565.1","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H82 B2 Mn N6 O6 -","- C66 H82 B2 Mn N6 O6 -","- C66 H82 B2 Mn N6 O6 -","1","0.5","","SUZUKI, Ryo; CHIBA, Yukako; YAMAGUCHI, Ryo; YOSHIOKA, Daisuke; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi","Synthesis and Crystal Structure of a Trigonally Compressed Hexakis-DMF Manganese(II) Complex","X-ray Structure Analysis Online","2013","29","0","11","","10.2116/xraystruct.29.11","","","0.71073","MoKα","","0.054","0.0389","","","0.0881","0.0929","","","","","","0.927","","","","has coordinates","216298","2020-10-21","18:00:00",""
"1551688","4.9578","0.0004","12.2784","0.0012","21.4038","0.0019","90","","93.308","0.002","90","","1300.8","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 F3 N2 O4 -","- C11 H11 F3 N2 O4 -","- C44 H44 F12 N8 O16 -","4","1","","WATANABE, Yurie; FUKUYOSHI, Shuichi; ODA, Akifumi; NAKAGAKI, Ryoichi","Crystal Structure of N-[4-Hydroxy-3-nitro-5-(trifluoromethyl)phenyl]-2-methylpropaneamide","X-ray Structure Analysis Online","2013","29","0","35","","10.2116/xraystruct.29.35","","","0.71075","MoKα","","0.0743","0.0604","","","0.1761","0.1866","","","","","","1.105","","","","has coordinates","216299","2020-10-21","18:00:00",""
"1551689","12.4224","0.0017","12.5588","0.0018","12.9099","0.0018","61.745","0.002","89.999","0.002","63.942","0.002","1537.8","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H76 B2 Ni O6 S6 -","- C60 H76 B2 Ni O6 S6 -","- C60 H76 B2 Ni O6 S6 -","1","0.5","","SUDO, Reiji; YOSHIOKA, Daisuke; MIKURIYA, Masahiro; SAKIYAMA, Hiroshi","Structural Features of Hexakis-DMSO Nickel(II) Complex Cations: Pseudo-S6- and Pseudo-S4-Propeller-Like Structures","X-ray Structure Analysis Online","2013","29","0","17","","10.2116/xraystruct.29.17","","","0.71073","MoKα","","0.0508","0.0467","","","0.1279","0.1315","","","","","","1.034","","","","has coordinates,has disorder","216300","2020-10-21","18:00:00",""
"1551690","7.4641","0.0002","12.1483","0.0003","17.1084","0.0004","90","","99.667","0.001","90","","1529.3","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","","REVANKAR, Hrishikesh; KULKARNI, Manohar V; KUMAR, G N Anil","Crystal Structure of 6-Methyl-4-[(quinolin-8-yloxy)methyl]-2H-chromen-2-one","X-ray Structure Analysis Online","2013","29","0","5","","10.2116/xraystruct.29.5","","","0.71073","MoKα","","0.0479","0.0353","","","0.0897","0.0989","","","","","","1.055","","","","has coordinates","216301","2020-10-21","18:00:00",""
"1551691","7.008","0.005","9.546","0.005","10.621","0.005","87.484","0.005","72.927","0.005","75.686","0.005","657.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","bis(O-propyldithiocarbonato-k2S,S?)(3,5-lutidine-kN)nickel(II)","","- C22 H32 N2 Ni O2 S4 -","- C22 H32 N2 Ni O2 S4 -","- C22 H32 N2 Ni O2 S4 -","1","0.5","","SHARMA, Neerupama; SINGH, Kuldeep; SACHAR, Renu; GUPTA, Vivek K.; Rajnikant,","Crystal Structure of Bis(O-propyldithiocarbonato-^|^kappa;2S,S^|^prime;)(3,5-lutidine-^|^kappa;N)nickel(II)","X-ray Structure Analysis Online","2013","29","0","19","","10.2116/xraystruct.29.19","","","0.71073","MoKα","","0.0501","0.0371","","","0.0872","0.0961","","","","","","1.029","","","","has coordinates","216302","2020-10-21","18:00:00",""
"1551692","14.8578","0.0003","14.9415","0.0003","20.3082","0.0014","109.806","0.008","96.546","0.007","101.774","0.007","4069.5","0.4","93","","93","","","","","","","","","10","P -1","-P 1","2","","","","- C54.5 H71 B3 F6 Mo3 N18 O3.5 P2 Pd S13 -","- C54.5 H55 B3 F6 Mo3 N18 O3.5 P2 Pd S13 -","- C109 H110 B6 F12 Mo6 N36 O7 P4 Pd2 S26 -","2","1","","YOSHIDA, Ryouichi; SATO, Hiroyasu; AKASHI, Haruo","Synthesis and Crystal Structure of a Sulfur-bridged Cubane-type Molybdenum-Palladium Cluster with a Hydrotris(methimazolyl)borate Ligand","X-ray Structure Analysis Online","2013","29","0","3","","10.2116/xraystruct.29.3","","","1.54187","CuKα","","0.0574","0.0507","","","","0.1496","","","","","","1.051","","","","has coordinates","216303","2020-10-21","18:00:00",""
"1551693","21.3695","0.0018","21.3695","0.0018","9.6278","0.0012","90","","90","","90","","4396.6","0.8","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C42 H44 N6 O8 Rh2 -","- C42.08 H44.16 N6 O8 Rh2 -","- C168.32 H176.64 N24 O32 Rh8 -","4","0.5","","MIKURIYA, Masahiro; YAMAMOTO, Junya; OUCHI, Kazuya; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of a Chain Complex of Rhodium(II) Benzoate and 1,4-Diazabicyclo[2.2.2]octane Having an N2-Adsorption Property","X-ray Structure Analysis Online","2013","29","0","45","","10.2116/xraystruct.29.45","","","0.71073","MoKα","","0.095","0.0417","","","0.072","0.0825","","","","","","0.873","","","","has coordinates","216304","2020-10-21","18:00:00",""
"1551694","24.937","0.005","13.211","0.003","8.848","0.0019","90","","94.189","0.003","90","","2907.1","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 N2 O10 Rh2 -","- C20 H24 N2 O10 Rh2 -","- C80 H96 N8 O40 Rh8 -","4","0.5","","MIKURIYA, Masahiro; YAMAMOTO, Junya; OUCHI, Kazuya; TAKADA, Shohei; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis and Crystal Structure of a Chain Complex of Rhodium(II) Acetate and 1,2-Bis(4-pyridyl)ethane having an N2-Adsorption Property","X-ray Structure Analysis Online","2013","29","0","29","","10.2116/xraystruct.29.29","","","0.71073","MoKα","","0.0921","0.0356","","","0.0809","0.0863","","","","","","0.819","","","","has coordinates,has disorder","216305","2020-10-21","18:00:00",""
"1551695","10.812","0.003","11.393","0.003","15.331","0.004","71.014","0.005","87.963","0.005","76.451","0.005","1734.4","0.8","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N4 O8 Rh2 -","- C36 H36 N4 O8 Rh2 -","- C72 H72 N8 O16 Rh4 -","2","1","","MIKURIYA, Masahiro; OUCHI, Kazuya; NAKANISHI, Yasutaka; YOSHIOKA, Daisuke; TANAKA, Hidekazu; HANDA, Makoto","Synthesis, Crystal Structure, and N2-Adsorption Property of a Chain Complex of Rhodium(II) Benzoate and Piperazine","X-ray Structure Analysis Online","2013","29","0","21","","10.2116/xraystruct.29.21","","","0.71073","MoKα","","0.0779","0.0558","","","0.1292","0.1367","","","","","","0.988","","","","has coordinates,has disorder","216306","2020-10-21","18:00:00",""
"1551696","10.8689","0.0004","10.5644","0.0003","12.9608","0.0004","90","","94.606","0.003","90","","1483.4","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2-Methyl-4-nitro-1H-imidazol-1-yl)-N'- [(1E)-1-phenylethylidene]acetohydrazide","","- C14 H15 N5 O3 -","- C14 H15 N5 O3 -","- C56 H60 N20 O12 -","4","1","","VINUTHA, N.; FRANK, Priya V.; KALLURAYA, Balakrishna; ANTHAL, Sumati; Rajnikant,; GUPTA, Vivek K.; REVANNASIDDAIAH, D.","Crystal Structure of 2-(2-Methyl-4-nitro-1H-imidazol-1-yl)-N^|^prime;-[(1E)-1-phenylethylidene]acetohydrazide","X-ray Structure Analysis Online","2013","29","0","9","","10.2116/xraystruct.29.9","","","0.71073","MoKα","","0.0691","0.0474","","","0.1148","0.1274","","","","","","1.014","","","","has coordinates","216307","2020-10-21","18:00:00",""
"1551697","9.4079","0.0001","10.7323","0.0002","11.7498","0.0002","90","","96.443","0.001","90","","1178.87","0.03","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis(O-propylxanthato)bis(3-chloropyridine)nickel(II)","","- C18 H22 Cl2 N2 Ni O2 S4 -","- C18 H22 Cl2 N2 Ni O2 S4 -","- C36 H44 Cl4 N4 Ni2 O4 S8 -","2","0.5","","SINGH, Kuldeep; KOUR, Inderjeet; KOUR, Gurpreet; SACHAR, Renu; GUPTA, Vivek K.; Rajnikant,","Synthesis and X-ray Crystal Structure of Bis(O-propylxanthato)-bis(3-chloropyridine)nickel(II)","X-ray Structure Analysis Online","2013","29","0","15","","10.2116/xraystruct.29.15","","","0.71073","MoKα","","0.0283","0.023","","","0.057","0.0614","","","","","","1.086","","","","has coordinates","216308","2020-10-21","18:00:00",""
"1551874","20.4825","0.0007","14.8334","0.0005","25.3877","0.0009","90","","96.261","0.002","90","","7667.4","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Gd2C2@C84.Ni(OEP).1.75toluene.0.25benzene","","","- C135.75 H59.5 Gd2 N4 Ni -","- C135.75 H59.5 Gd2 N4 Ni -","- C543 H238 Gd8 N16 Ni4 -","4","1","","Jianyuan Zhang; Faye L. Bowles; Daniel W. Bearden; W. Keith Ray; Tim Fuhrer; Youqing Ye; Caitlyn Dixon; Kim Harich; Richard F. Helm; Marilyn M. Olmstead; Alan L. Balch; Harry C. Dorn","A missing link in the transformation from asymmetric to symmetric metallofullerene cages implies a top-down fullerene formation mechanism","Nature Chemistry","2013","5","","880","885","10.1038/nchem.1748","","","0.7749","synchrotron","","0.1632","0.1154","","","0.3045","0.3286","","","","","","1.821","","","","has coordinates,has disorder","216515","2020-10-21","18:00:00",""
"1551875","19.853","0.0011","42.232","0.002","14.782","0.0012","90","","90","","90","","12393.7","1.4","133","2","133","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C29 H46 Ir N5 P2 -","- C29 H46 Ir N5 P2 -","- C464 H736 Ir16 N80 P32 -","16","1","","Stefan Michlik; Rhett Kempe","A sustainable catalytic pyrrole synthesis","Nature Chemistry","2013","5","","140","144","10.1038/nchem.1547","","","0.71069","MoKα","","0.081","0.0641","","","0.1434","0.1499","","","","","","0.98","","","","has coordinates","216516","2020-10-21","18:00:00",""
"1551876","23.001","0.0004","23.001","0.0004","17.621","0.0003","90","","90","","120","","8073.4","0.2","133","2","133","2","","","","","","","","5","P 32","P 32","145","","","","- C33 H47 Ir N5 P2 -","- C33 H47 Ir N5 P2 -","- C297 H423 Ir9 N45 P18 -","9","3","","Stefan Michlik; Rhett Kempe","A sustainable catalytic pyrrole synthesis","Nature Chemistry","2013","5","","140","144","10.1038/nchem.1547","","","0.71069","MoKα","","0.0328","0.0303","","","0.0641","0.0647","","","","","","0.958","","","","has coordinates","216517","2020-10-21","18:00:00",""
"1551877","28.3772","0.0019","35.137","0.002","21.3407","0.0013","90","","90","","90","","21279","2","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C114.75 H141 N12 -","- C114.695 H102 N12 -","- C917.56 H816 N96 -","8","1","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.1155","0.106","","","0.3005","0.3055","","","","","","2.345","","","","has coordinates,has disorder","216519","2020-10-21","18:00:00",""
"1551878","20.515","0.003","28.04","0.004","35.607","0.005","90","","90","","90","","20483","5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C108 H129 N12 -","- C107.995 H116.5 N12 -","- C863.96 H932 N96 -","8","2","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.1101","0.0785","","","0.1999","0.2184","","","","","","1.286","","","","has coordinates,has disorder","216520","2020-10-21","18:00:00",""
"1551879","17.5354","0.001","18.0598","0.0011","24.493","0.002","90","","90.554","0.001","90","","7756.2","0.9","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C88 H104 N12 -","- C86.396 H101.995 N12 -","- C345.584 H407.98 N48 -","4","1","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.0715","0.0558","","","0.1444","0.1533","","","","","","1.048","","","","has coordinates,has disorder","216521","2020-10-21","18:00:00",""
"1551880","17.701","0.0009","18.026","0.0009","24.9002","0.0018","90","","90.293","0.001","90","","7945","0.8","295","2","295","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C88 H104 N12 -","- C86.488 H102.11 N12 -","- C345.952 H408.44 N48 -","4","1","","Tamoghna Mitra; Kim E. Jelfs; Marc Schmidtmann; Adham Ahmed; Samantha Y. Chong; Dave J. Adams; Andrew I. Cooper","Molecular shape sorting using molecular organic cages","Nature Chemistry","2013","5","","276","281","10.1038/nchem.1550","","","0.71073","MoKα","","0.0677","0.0522","","","0.1414","0.1518","","","","","","1.035","","","","has coordinates,has disorder","216522","2020-10-21","18:00:00",""
"1551881","7.4574","0.0004","5.66","0.0003","19.1444","0.0011","90","","97.282","0.001","90","","801.55","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16.19 Br N2 O1.6 -","- C18 H16.192 Br N2 O1.596 -","- C36 H32.384 Br2 N4 O3.192 -","2","1","","Ling Li; Chao-Yuan Wang; Rongcai Huang; Mark R. Biscoe","Stereoretentive Pd-catalysed Stille cross-coupling reactions of secondary alkyl azastannatranes and aryl halides","Nature Chemistry","2013","5","","607","612","10.1038/nchem.1652","","","0.71073","MoKα","","0.0265","0.0236","","","0.0553","0.0564","","","","","","1.048","","","","has coordinates","216523","2020-10-21","18:00:00",""
"1552029","13.8326","0.0004","28.3948","0.0005","15.8845","0.0004","90","","109.685","0.003","90","","5874.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H57 Cl6 O3 Os P3 -","- C65 H57 Cl6 O3 Os P3 -","- C260 H228 Cl24 O12 Os4 P12 -","4","1","","Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia","Stabilization of anti-aromatic and strained five-membered rings with a transition metal","Nature Chemistry","2013","5","","698","703","10.1038/nchem.1690","","","0.71073","MoKα","","0.0405","0.0267","","","0.0488","0.0502","","","","","","0.909","","","","has coordinates","216838","2020-10-21","18:00:00",""
"1552030","13.8145","0.0006","15.1705","0.0006","17.3902","0.0006","80.617","0.003","81.263","0.003","63.058","0.004","3192.9","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H58 B2 Cl5 F8 O3 Os P3 -","- C65 H58 B2 Cl5 F8 O3 Os P3 -","- C130 H116 B4 Cl10 F16 O6 Os2 P6 -","2","1","","Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia","Stabilization of anti-aromatic and strained five-membered rings with a transition metal","Nature Chemistry","2013","5","","698","703","10.1038/nchem.1690","","","0.71073","MoKα","","0.0749","0.0456","","","0.0697","0.0726","","","","","","0.997","","","","has coordinates","216839","2020-10-21","18:00:00",""
"1552031","13.501","0.0003","11.592","0.0003","41.963","0.001","90","","93.416","0.002","90","","6555.7","0.3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C67.5 H60 B Cl5.5 F4 O2 Os P3 S -","- C67.5 H60 B Cl5.5 F4 O2 Os P3 S -","- C270 H240 B4 Cl22 F16 O8 Os4 P12 S4 -","4","1","","Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia","Stabilization of anti-aromatic and strained five-membered rings with a transition metal","Nature Chemistry","2013","5","","698","703","10.1038/nchem.1690","","","0.71073","MoKα","","0.0849","0.065","","","0.1197","0.1264","","","","","","1.189","","","","has coordinates","216840","2020-10-21","18:00:00",""
"1552032","11.9255","0.0006","16.0492","0.0008","16.8145","0.0009","66.863","0.005","80.698","0.004","80.809","0.004","2904","0.3","133","2","133","2","","","","","","","","9","P -1","-P 1","2","","","","- C70 H58 B Cl F4 N O2 Os P3 -","- C70 H58 B Cl F4 N O2 Os P3 -","- C140 H116 B2 Cl2 F8 N2 O4 Os2 P6 -","2","1","","Congqing Zhu; Shunhua Li; Ming Luo; Xiaoxi Zhou; Yufen Niu; Minglian Lin; Jun Zhu; Zexing Cao; Xin Lu; Tingbin Wen; Zhaoxiong Xie; Paul v. R. Schleyer; Haiping Xia","Stabilization of anti-aromatic and strained five-membered rings with a transition metal","Nature Chemistry","2013","5","","698","703","10.1038/nchem.1690","","","0.71073","MoKα","","0.0782","0.0557","","","0.0981","0.1111","","","","","","0.911","","","","has coordinates","216841","2020-10-21","18:00:00",""
"1552038","11.6074","0.0007","27.348","0.0014","15.1345","0.0009","90","","97.21","0.003","90","","4766.3","0.5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 B Cl2 Fe2 N O S2 -","- C52 H58 B Cl2 Fe2 N O S2 -","- C208 H232 B4 Cl8 Fe8 N4 O4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0559","0.0384","","","0.0935","0.1003","","","","","","1.047","","","","has coordinates","216856","2020-10-21","18:00:00",""
"1552039","10.788","0.0003","15.1458","0.0005","16.0306","0.0006","85.671","0.002","80.231","0.002","70.333","0.002","2430.25","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 Fe2 S2 -","- C26 H34 Fe2 S2 -","- C104 H136 Fe8 S8 -","4","2","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0337","0.0286","","","0.0722","0.0745","","","","","","1.049","","","","has coordinates","216857","2020-10-21","18:00:00",""
"1552040","10.782","0.008","11.971","0.009","27.44","0.02","90","","97.181","0.009","90","","3514","5","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 F6 Fe2 N2 O P S2 -","- C30 H44 F6 Fe2 N2 O P S2 -","- C120 H176 F24 Fe8 N8 O4 P4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0587","0.0447","","","0.1391","0.1489","","","","","","1.076","","","","has coordinates","216858","2020-10-21","18:00:00",""
"1552041","20.976","0.014","8.383","0.005","15.189","0.01","90","","90","","90","","2671","3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C27 H38 Fe2 N2 S2 -","- C27 H37 Fe2 N2 S2 -","- C108 H148 Fe8 N8 S8 -","4","0.5","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0748","0.0493","","","0.1297","0.1427","","","","","","1.05","","","","has coordinates","216859","2020-10-21","18:00:00",""
"1552042","11.8105","0.0015","21.889","0.003","12.4062","0.0016","90","","105.239","0.001","90","","3094.5","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 F6 Fe2 N2 P S2 -","- C27 H38 F6 Fe2 N2 P S2 -","- C108 H152 F24 Fe8 N8 P4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.049","0.0409","","","0.1198","0.1254","","","","","","1.059","","","","has coordinates","216860","2020-10-21","18:00:00",""
"1552043","13.0962","0.0003","17.5004","0.0004","19.4221","0.0004","113.607","0.002","96.424","0.002","108.902","0.002","3705.95","0.18","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H65 B F24 Fe2 N2 O2 S2 -","- C66 H65 B F24 Fe2 N2 O2 S2 -","- C132 H130 B2 F48 Fe4 N4 O4 S4 -","2","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.1395","0.0685","","","0.1777","0.1932","","","","","","0.958","","","","has coordinates,has disorder","216861","2020-10-21","18:00:00",""
"1552044","12.79","0.005","9.938","0.004","36.438","0.013","90","","100.079","0.004","90","","4560","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H59 B Fe2 N2 S2 -","- C51 H59 B Fe2 N2 S2 -","- C204 H236 B4 Fe8 N8 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.1022","0.0518","","","0.1145","0.1297","","","","","","0.962","","","","has coordinates","216862","2020-10-21","18:00:00",""
"1552045","12.471","0.0003","19.5462","0.0005","18.2725","0.0005","90","","90.138","0.002","90","","4454.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 B Fe2 N S2 -","- C50 H56 B Fe2 N S2 -","- C200 H224 B4 Fe8 N4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.0608","0.0456","","","0.1281","0.1374","","","","","","1.072","","","","has coordinates","216863","2020-10-21","18:00:00",""
"1552046","12.5508","0.0005","19.5577","0.0008","18.2624","0.0007","90","","90.383","0.003","90","","4482.7","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H58 B Fe2 N S2 -","- C51 H58 B Fe2 N S2 -","- C204 H232 B4 Fe8 N4 S8 -","4","1","","Yang Li; Ying Li; Baomin Wang; Yi Luo; Dawei Yang; Peng Tong; Jinfeng Zhao; Lun Luo; Yuhan Zhou; Si Chen; Fang Cheng; Jingping Qu","Ammonia formation by a thiolate-bridged diiron amide complex as a nitrogenase mimic","Nature Chemistry","2013","5","","320","326","10.1038/nchem.1594","","","0.71073","MoKα","","0.1322","0.0704","","","0.1859","0.2075","","","","","","1.079","","","","has coordinates","216864","2020-10-21","18:00:00",""
"1552050","8.246","0.0016","16.988","0.003","16.411","0.003","90","","101.3","0.03","90","","2254.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 N2 O3 P Ru -","- C22 H31 N2 O3 P Ru -","- C88 H124 N8 O12 P4 Ru4 -","4","1","","Ekambaram Balaraman; Eugene Khaskin; Gregory Leitus; David Milstein","Catalytic transformation of alcohols to carboxylic acid salts and H2 using water as the oxygen atom source","Nature Chemistry","2013","5","","122","125","10.1038/nchem.1536","","","0.71073","MoKα","","0.064","0.0512","","","0.1049","0.11","","","","","","1.113","","","","has coordinates,has disorder","216868","2020-10-21","18:00:00",""
"1552063","8.0123","0.0004","9.5367","0.0005","12.5723","0.0007","76.698","0.004","83.324","0.004","77.616","0.004","910.87","0.09","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C39 H42 Br N O10 -","- C39 H42 Br N O10 -","- C39 H42 Br N O10 -","1","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.0465","0.0401","","","0.0962","0.1031","","","","","","1.072","","","","has coordinates","216881","2020-10-21","18:00:00",""
"1552064","25.835","0.005","10.3517","0.0019","7.2252","0.0013","90","","102.657","0.002","90","","1885.3","0.6","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H22 Br N O6 -","- C18 H22 Br N O6 -","- C72 H88 Br4 N4 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","0.71073","MoKα","","0.0412","0.0332","","","0.0734","0.076","","","","","","1.043","","","","has coordinates","216882","2020-10-21","18:00:00",""
"1552065","6.891","0.004","9.592","0.006","10.273","0.007","102.611","0.007","90.215","0.007","106.979","0.007","632.1","0.7","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O6 -","- C12 H16 O6 -","- C24 H32 O12 -","2","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","0.71073","MoKα","","0.0436","0.0371","","","0.0938","0.0978","","","","","","1.06","","","","has coordinates","216883","2020-10-21","18:00:00",""
"1552066","9.695","0.002","13.257","0.003","12.556","0.003","90","","106.298","0.003","90","","1548.9","0.6","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","0.71073","MoKα","","0.0382","0.0323","","","0.081","0.087","","","","","","1.032","","","","has coordinates","216884","2020-10-21","18:00:00",""
"1552067","8.9133","0.0003","12.178","0.0005","12.9803","0.0005","90","","90","","90","","1408.96","0.09","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O6 -","- C14 H18 O6 -","- C56 H72 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.0335","0.0309","","","0.0823","0.0833","","","","","","1.082","","","","has coordinates","216885","2020-10-21","18:00:00",""
"1552068","6.8942","0.0016","8.0356","0.0018","23.889","0.005","90","","90.741","0.011","90","","1323.3","0.5","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C52 H72 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.0901","0.0776","","","0.2129","0.2188","","","","","","1.103","","","","has coordinates","216886","2020-10-21","18:00:00",""
"1552069","7.7457","0.0016","12.057","0.003","14.063","0.003","90","","98.045","0.002","90","","1300.4","0.5","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O6 -","- C13 H16 O6 -","- C52 H64 O24 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","0.71073","MoKα","","0.042","0.036","","","0.0952","0.1003","","","","","","1.05","","","","has coordinates","216887","2020-10-21","18:00:00",""
"1552070","6.1277","0.0008","7.5181","0.0009","10.9862","0.0014","91.291","0.009","98.594","0.009","91.918","0.01","499.96","0.11","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C22 H24 O10 -","2","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.0404","0.034","","","0.0922","0.0943","","","","","","1.034","","","","has coordinates","216888","2020-10-21","18:00:00",""
"1552071","5.6893","0.0005","10.7024","0.0011","12.4002","0.0012","90","","95.454","0.006","90","","751.62","0.13","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C32 H36 N4 O8 -","4","1","","Gang Liu; Morgan E. Shirley; Khoi N. Van; Rae Lynn McFarlin; Daniel Romo","Rapid assembly of complex cyclopentanes employing chiral, alpha,beta-unsaturated acylammonium intermediates","Nature Chemistry","2013","5","","1049","1057","10.1038/nchem.1788","","","1.54178","CuKα","","0.06","0.046","","","0.1087","0.1126","","","","","","1.013","","","","has coordinates","216889","2020-10-21","18:00:00",""
"1556093","13.0075","0.0004","5.43017","0.00011","13.93996","0.00033","90","","101.113","0.0014","90","","966.16","0.04","","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","2","","Williams, P. Andrew; Hughes, Colan. E.; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M.","Expanding the Solid-State Landscape of l-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes","The Journal of Physical Chemistry C","2013","117","23","12136","","10.1021/jp401547f","powder diffraction","x-ray","1.5406","","","","","","","","","0.15861","","1.34","","","","","","","has coordinates","243453","2020-10-21","18:00:00",""
"1556094","12.1112","0.0005","5.4213","0.00017","13.7691","0.0005","90","","100.011","0.0035","90","","890.29","0.06","","","294","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C36 H44 N4 O10 -","2","1","","Williams, P. Andrew; Hughes, Colan. E.; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M.","Expanding the Solid-State Landscape of l-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes","The Journal of Physical Chemistry C","2013","117","23","12136","","10.1021/jp401547f","powder diffraction","x-ray","1.5406","","","","","","","","","0.16533","","1.22","","","","","","","has coordinates","243454","2020-10-21","18:00:00",""
"1556095","12.063","0.011","5.412","0.005","13.676","0.013","90","","99.5976","0.0026","90","","880.3","1.4","","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C36 H44 N4 O8 -","4","2","","Williams, P. Andrew; Hughes, Colan. E.; Buanz, Asma B. M.; Gaisford, Simon; Harris, Kenneth D. M.","Expanding the Solid-State Landscape of l-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes","The Journal of Physical Chemistry C","2013","117","23","12136","","10.1021/jp401547f","powder diffraction","x-ray","1.5406","","","","","","","","","0.08015","","3.01","","","","","","","has coordinates","243455","2020-10-21","18:00:00",""
"1556128","10.49","0.003","10.995","0.002","13.995","0.004","90","","90","","90","","1614.1","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N4 O4 -","- C15 H20 N4 O4 -","- C60 H80 N16 O16 -","4","1","","Ottersbach, Philipp A.; Schmitz, Janina; Schnakenburg, Gregor; Gütschow, Michael","An access to aza-Freidinger lactams and E-locked analogs.","Organic letters","2013","15","3","448","451","10.1021/ol3030583","","","0.71073","MoKα","","0.09","0.0515","","","0.0909","0.1035","","","","","","1","","","","has coordinates","243490","2020-10-21","18:00:00",""
"1556129","11.479","0.002","16.064","0.002","12.35","0.002","90","","101.98","0.01","90","","2227.7","0.6","120","1","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O3 -","- C15 H23 N O3 -","- C90 H138 N6 O18 -","6","3","","Lumbroso, Alexandre; Beaudet, Isabelle; Toupet, Loïc; Le Grognec, Erwan; Quintard, Jean-Paul","Stereodivergent synthesis of iminosugars from stannylated derivatives of (S)-vinylglycinol.","Organic letters","2013","15","1","160","163","10.1021/ol303213r","","","0.71073","MoKα","","0.0477","0.0294","","","0.0631","0.0672","","","","","","0.903","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1556130","9.917","0.001","10.626","0.002","11.336","0.001","90","","90","","90","","1194.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Lumbroso, Alexandre; Beaudet, Isabelle; Toupet, Loïc; Le Grognec, Erwan; Quintard, Jean-Paul","Stereodivergent synthesis of iminosugars from stannylated derivatives of (S)-vinylglycinol.","Organic letters","2013","15","1","160","163","10.1021/ol303213r","","","0.71073","MoKα","","0.0329","0.0282","","","0.0799","0.082","","","","","","1.115","","","","has coordinates","243491","2020-10-21","18:00:00",""
"1556131","8.431","0.001","11.03","0.002","13.069","0.003","90","","90","","90","","1215.3","0.4","120","1","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","","Lumbroso, Alexandre; Beaudet, Isabelle; Toupet, Loïc; Le Grognec, Erwan; Quintard, Jean-Paul","Stereodivergent synthesis of iminosugars from stannylated derivatives of (S)-vinylglycinol.","Organic letters","2013","15","1","160","163","10.1021/ol303213r","","","0.71073","MoKα","","0.0367","0.0276","","","0.0702","0.0721","","","","","","1.092","","","","has coordinates","243491","2020-10-21","18:00:00",""
"1556132","8.2","0.001","10.542","0.002","14.773","0.003","90","","90","","90","","1277","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H17 N O6 -","- C12 H17 N O6 -","- C48 H68 N4 O24 -","4","1","","Lumbroso, Alexandre; Beaudet, Isabelle; Toupet, Loïc; Le Grognec, Erwan; Quintard, Jean-Paul","Stereodivergent synthesis of iminosugars from stannylated derivatives of (S)-vinylglycinol.","Organic letters","2013","15","1","160","163","10.1021/ol303213r","","","0.71073","MoKα","","0.0367","0.031","","","0.0815","0.0844","","","","","","0.98","","","","has coordinates","243491","2020-10-21","18:00:00",""
"1556133","8.2943","0.001","8.331","0.009","13.551","0.014","101.869","0.01","94.696","0.005","114.24","0.02","820.9","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H46 N2 O2 -","- C42 H46 N2 O2 -","- C42 H46 N2 O2 -","1","0.5","","Balandier, Jean-Yves; Henry, Nicolas; Arlin, Jean-Baptiste; Sanguinet, Lionel; Lemaur, Vincent; Niebel, Claude; Chattopadhyay, Basab; Kennedy, Alan Robert; Leriche, Philippe; Blanchard, Philippe; Cornil, Jérôme; Geerts, Yves Henri","Synthesis and characterization of isomerically pure anti- and syn-anthradiindole derivatives.","Organic letters","2013","15","2","302","305","10.1021/ol303214j","","","0.71075","MoKα","","0.0899","0.0726","","","0.1622","0.1737","","","","","","1.133","","","","has coordinates","243492","2020-10-21","18:00:00",""
"1556134","15.8497","0.0009","10.3321","0.0006","24.9736","0.0014","90","","95.678","0.006","90","","4069.6","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43.82 H49.83 Cl3.45 N2 O2.67 -","- C43.82 H49.83 Cl3.45 N2 O2.67 -","- C175.28 H199.32 Cl13.8 N8 O10.68 -","4","1","","Balandier, Jean-Yves; Henry, Nicolas; Arlin, Jean-Baptiste; Sanguinet, Lionel; Lemaur, Vincent; Niebel, Claude; Chattopadhyay, Basab; Kennedy, Alan Robert; Leriche, Philippe; Blanchard, Philippe; Cornil, Jérôme; Geerts, Yves Henri","Synthesis and characterization of isomerically pure anti- and syn-anthradiindole derivatives.","Organic letters","2013","15","2","302","305","10.1021/ol303214j","","","0.71073","MoKα","","0.1118","0.0718","","","0.1918","0.2293","","","","","","1.033","","","","has coordinates,has disorder","243492","2020-10-21","18:00:00",""
"1556135","10.834","0.003","20.925","0.005","17.732","0.004","90","","93.784","0.01","90","","4011.1","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H28 Au2 Cl4 O4 P2 -","- C45 H28 Au2 Cl4 O4 P2 -","- C180 H112 Au8 Cl16 O16 P8 -","4","1","","Chen, Hui; Delaunay, Wylliam; Li, Jing; Wang, Zuoyong; Bouit, Pierre-Antoine; Tondelier, Denis; Geffroy, Bernard; Mathey, François; Duan, Zheng; Réau, Régis; Hissler, Muriel","Benzofuran-fused phosphole: synthesis, electronic, and electroluminescence properties.","Organic letters","2013","15","2","330","333","10.1021/ol303260d","","","0.71073","MoKα","","0.0758","0.0493","","","0.1133","0.1433","","","","","","1.04","","","","has coordinates","243493","2020-10-21","18:00:00",""
"1556136","13.099","0.001","13.122","0.002","13.604","0.002","117.831","0.004","117.735","0.004","91.969","0.005","1733.1","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 O2 P S -","- C22 H13 O2 P S -","- C88 H52 O8 P4 S4 -","4","2","","Chen, Hui; Delaunay, Wylliam; Li, Jing; Wang, Zuoyong; Bouit, Pierre-Antoine; Tondelier, Denis; Geffroy, Bernard; Mathey, François; Duan, Zheng; Réau, Régis; Hissler, Muriel","Benzofuran-fused phosphole: synthesis, electronic, and electroluminescence properties.","Organic letters","2013","15","2","330","333","10.1021/ol303260d","","","0.71069","MoKα","","0.0432","0.0343","","","0.0899","0.1033","","","","","","1.085","","","","has coordinates","243494","2020-10-21","18:00:00",""
"1556137","7.544","0.001","17.023","0.001","26.006","0.002","90","","90","","90","","3339.7","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H13 O3 P -","- C22 H13 O3 P -","- C176 H104 O24 P8 -","8","1","","Chen, Hui; Delaunay, Wylliam; Li, Jing; Wang, Zuoyong; Bouit, Pierre-Antoine; Tondelier, Denis; Geffroy, Bernard; Mathey, François; Duan, Zheng; Réau, Régis; Hissler, Muriel","Benzofuran-fused phosphole: synthesis, electronic, and electroluminescence properties.","Organic letters","2013","15","2","330","333","10.1021/ol303260d","","","0.71069","MoKα","","0.0617","0.0441","","","0.1147","0.1332","","","","","","1.087","","","","has coordinates","243495","2020-10-21","18:00:00",""
"1556138","8.39","0.003","9.844","0.002","10.32","0.002","76.55","0.02","79.16","0.02","89.73","0.02","813.5","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C34 H40 O10 -","2","1","","Barluenga, José; Álvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Ángel L; Tomás, Miguel","A simple metal-promoted three-step access to n/5/m angular carbocyclic systems.","Organic letters","2013","15","3","488","491","10.1021/ol303269r","","","1.54184","CuKα","","0.1364","0.0761","","","0.2116","0.2523","","","","","","1.048","","","","has coordinates","243496","2020-10-21","18:00:00",""
"1556139","8.7914","0.0004","9.2136","0.0004","10.4275","0.0004","95.867","0.003","107.824","0.004","103.956","0.004","766.06","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C34 H40 O10 -","2","1","","Barluenga, José; Álvarez-Fernández, Ana; Suárez-Rodríguez, Tatiana; Suárez-Sobrino, Ángel L; Tomás, Miguel","A simple metal-promoted three-step access to n/5/m angular carbocyclic systems.","Organic letters","2013","15","3","488","491","10.1021/ol303269r","","","0.7107","MoKα","","0.0849","0.0482","","","0.1186","0.1294","","","","","","1.045","","","","has coordinates","243496","2020-10-21","18:00:00",""
"1556140","5.7264","0.0005","7.5889","0.0007","21.5174","0.0019","91.997","0.002","94.434","0.002","90.306","0.002","931.69","0.14","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H21 Cl O4 -","- C22 H21 Cl O4 -","- C44 H42 Cl2 O8 -","2","2","","Bastida, David; Liu, Yankai; Tian, Xu; Escudero-Adán, Eduardo; Melchiorre, Paolo","Asymmetric vinylogous aldol reaction via H-bond-directing dienamine catalysis.","Organic letters","2013","15","1","220","223","10.1021/ol303312p","","","0.71073","MoKα","","0.0543","0.0536","","","0.1439","0.145","","","","","","1.036","","","","has coordinates","243497","2020-10-21","18:00:00",""
"1556141","8.3789","0.0003","11.6032","0.0005","23.8284","0.0011","90","","90","","90","","2316.65","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Cl O4 -","- C30 H25 Cl O4 -","- C120 H100 Cl4 O16 -","4","1","","Bastida, David; Liu, Yankai; Tian, Xu; Escudero-Adán, Eduardo; Melchiorre, Paolo","Asymmetric vinylogous aldol reaction via H-bond-directing dienamine catalysis.","Organic letters","2013","15","1","220","223","10.1021/ol303312p","","","0.71073","MoKα","","0.0451","0.0386","","","0.0953","0.0994","","","","","","1.035","","","","has coordinates","243498","2020-10-21","18:00:00",""
"1556142","5.1292","0.0003","8.5021","0.0006","28.173","0.002","90","","90","","90","","1228.6","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 N2 O3 S -","- C12 H18 N2 O3 S -","- C48 H72 N8 O12 S4 -","4","1","","Schüttler, Christian; Li-Böhmer, Zhen; Harms, Klaus; von Zezschwitz, Paultheo","Enantioselective synthesis of 3,4-disubstituted cis- and trans-1,2,5-thiadiazolidine-1,1-dioxides as precursors for chiral 1,2-diamines.","Organic letters","2013","15","4","800","803","10.1021/ol3034753","","","0.71073","MoKα","","0.0272","0.0228","","","0.0499","0.0505","","","","","","0.964","","","","has coordinates","243499","2020-10-21","18:00:00",""
"1556143","9.3373","0.0003","15.5995","0.0004","15.8053","0.0005","84.143","0.001","86.017","0.001","84.742","0.001","2276.3","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H37 Cl3 I2 N2 O9 S4 -","- C41 H37 Cl3 I2 N2 O9 S4 -","- C82 H74 Cl6 I4 N4 O18 S8 -","2","1","","Röben, Caren; Souto, José A; Escudero-Adán, Eduardo C; Muñiz, Kilian","Oxidative diamination promoted by dinuclear iodine(III) reagents.","Organic letters","2013","15","5","1008","1011","10.1021/ol3034884","","","0.71073","MoKα","","0.0567","0.0371","","","0.0753","0.082","","","","","","1.102","","","","has coordinates,has disorder","243500","2020-10-21","18:00:00",""
"1556144","7.5446","0.0002","14.193","0.0004","17.9736","0.0006","90","","90","","90","","1924.62","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 F5 N O2 -","- C21 H20 F5 N O2 -","- C84 H80 F20 N4 O8 -","4","1","","Fustero, Santos; Ibáñez, Ignacio; Barrio, Pablo; Maestro, Miguel A.; Catalán, Silvia","Gold-catalyzed intramolecular hydroamination of o-alkynylbenzyl carbamates: a route to chiral fluorinated isoindoline and isoquinoline derivatives.","Organic letters","2013","15","4","832","835","10.1021/ol3035142","","","0.71073","MoKα","","0.0345","0.0291","","","0.0699","0.0806","","","","","","1.075","","","","has coordinates","243501","2020-10-21","18:00:00",""
"1556145","12.6747","0.0005","15.3867","0.0006","23.8253","0.001","90","","90","","90","","4646.5","0.3","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50.5 H43 Cl I N O2 -","- C50.5 H43 Cl I N O2 -","- C202 H172 Cl4 I4 N4 O8 -","4","1","","Liu, Yan; Shirakawa, Seiji; Maruoka, Keiji","Phase-transfer-catalyzed asymmetric conjugate cyanation of alkylidenemalonates with KCN in the presence of a Brønsted acid additive.","Organic letters","2013","15","6","1230","1233","10.1021/ol400143m","","","1.54187","CuKα","","","0.1041","","","","0.3708","","","","","","1.051","","","","has coordinates","243502","2020-10-21","18:00:00",""
"1556146","14.754","0.003","22.06","0.004","5.146","0.001","90","","90","","90","","1674.9","0.6","213","2","213","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C17 H26 N4 O3 -","- C17 H26 N4 O3 -","- C68 H104 N16 O12 -","4","0.5","","Rigol, Stephan; Beyer, Lothar; Hennig, Lothar; Sieler, Joachim; Giannis, Athanassios","Hünlich base: (re)discovery, synthesis, and structure elucidation after a century.","Organic letters","2013","15","6","1418","1420","10.1021/ol400357t","","","0.71073","MoKα","","0.0829","0.0483","","","0.0981","0.1061","","","","","","0.831","","","","has coordinates","243503","2020-10-21","18:00:00",""
"1556147","8.9007","0.0002","14.791","0.0004","17.7255","0.0005","90","","90","","90","","2333.57","0.11","115","","115","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 B Fe O P -","- C29 H28 B Fe O P -","- C116 H112 B4 Fe4 O4 P4 -","4","1","","Rémond, Emmanuelle; Bayardon, Jérôme; Takizawa, Shinobu; Rousselin, Yoann; Sasai, Hiroaki; Jugé, Sylvain","o-(Hydroxyalkyl)phenyl P-chirogenic phosphines as functional chiral Lewis bases.","Organic letters","2013","15","8","1870","1873","10.1021/ol400515e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0416","0.0376","","","0.0771","0.0806","","","","","","1.095","","","","has coordinates","243504","2020-10-21","18:00:00",""
"1556148","9.01","0.0003","14.7132","0.0005","17.6287","0.0006","90","","90","","90","","2336.97","0.14","115","2","115","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H28 B Fe O P -","- C29 H28 B Fe O P -","- C116 H112 B4 Fe4 O4 P4 -","4","1","","Rémond, Emmanuelle; Bayardon, Jérôme; Takizawa, Shinobu; Rousselin, Yoann; Sasai, Hiroaki; Jugé, Sylvain","o-(Hydroxyalkyl)phenyl P-chirogenic phosphines as functional chiral Lewis bases.","Organic letters","2013","15","8","1870","1873","10.1021/ol400515e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0354","0.0334","","","0.0694","0.071","","","","","","1.101","","","","has coordinates","243504","2020-10-21","18:00:00",""
"1556149","8.9778","0.0003","9.0335","0.0003","29.5925","0.0011","90","","90","","90","","2399.98","0.14","115","2","115","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 B Fe O P -","- C27 H32 B Fe O P -","- C108 H128 B4 Fe4 O4 P4 -","4","1","","Rémond, Emmanuelle; Bayardon, Jérôme; Takizawa, Shinobu; Rousselin, Yoann; Sasai, Hiroaki; Jugé, Sylvain","o-(Hydroxyalkyl)phenyl P-chirogenic phosphines as functional chiral Lewis bases.","Organic letters","2013","15","8","1870","1873","10.1021/ol400515e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0523","0.0464","","","0.0935","0.0987","","","","","","1.114","","","","has coordinates","243504","2020-10-21","18:00:00",""
"1556150","9.1406","0.0003","9.7796","0.0003","27.2445","0.0007","90","","90","","90","","2435.42","0.13","115","2","115","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H32 B Fe O P -","- C27 H32 B Fe O P -","- C108 H128 B4 Fe4 O4 P4 -","4","1","","Rémond, Emmanuelle; Bayardon, Jérôme; Takizawa, Shinobu; Rousselin, Yoann; Sasai, Hiroaki; Jugé, Sylvain","o-(Hydroxyalkyl)phenyl P-chirogenic phosphines as functional chiral Lewis bases.","Organic letters","2013","15","8","1870","1873","10.1021/ol400515e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0601","0.0501","","","0.0934","0.1004","","","","","","1.176","","","","has coordinates","243504","2020-10-21","18:00:00",""
"1556151","11.237","0.002","14.637","0.003","7.2453","0.0014","90","","99.56","0.03","90","","1175.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O -","- C16 H13 N O -","- C64 H52 N4 O4 -","4","1","","Liu, Le; Lu, Hang; Wang, Hong; Yang, Chao; Zhang, Xiang; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","PhI(OCOCF3)2-mediated C-C bond formation concomitant with a 1,2-aryl shift in a metal-free synthesis of 3-arylquinolin-2-ones.","Organic letters","2013","15","12","2906","2909","10.1021/ol400743r","","","0.71073","MoKα","","0.0881","0.0554","","","0.1275","0.1482","","","","","","1.011","","","","has coordinates","243505","2020-10-21","18:00:00",""
"1556152","8.695","0.004","9.355","0.005","13.874","0.007","104.83","0.008","90.259","0.006","90.583","0.006","1090.9","0.9","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C56 H48 F8 N4 -","- C56 H48 F8 N4 -","- C56 H48 F8 N4 -","1","0.5","","Takase, Masayoshi; Inabe, Ayumi; Sugawara, Yuki; Fujita, Wataru; Nishinaga, Tohru; Nomura, Kotohiro","Donor-acceptor segregated paracyclophanes composed of naphthobipyrrole and stacked fluoroarenes.","Organic letters","2013","15","13","3202","3205","10.1021/ol400882q","","","0.71075","MoKα","","","0.0552","","","","0.1334","","","","","","0.976","","","","has coordinates","243506","2020-10-21","18:00:00",""
"1556153","20.8969","0.0019","25.977","0.002","14.1722","0.0013","90","","129.736","0.002","90","","5916.1","0.9","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4a","","","- C40 H20 F8 N4 -","- C40 H20 F8 N4 -","- C320 H160 F64 N32 -","8","1","","Takase, Masayoshi; Inabe, Ayumi; Sugawara, Yuki; Fujita, Wataru; Nishinaga, Tohru; Nomura, Kotohiro","Donor-acceptor segregated paracyclophanes composed of naphthobipyrrole and stacked fluoroarenes.","Organic letters","2013","15","13","3202","3205","10.1021/ol400882q","","","0.71073","MoKα","","0.1645","0.063","","","0.1144","0.1551","","","","","","0.945","","","","has coordinates","243507","2020-10-21","18:00:00",""
"1556154","5.5563","0.0005","23.1971","0.0019","10.5069","0.0008","90","","96.804","0.009","90","","1344.7","0.19","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C72 H56 O12 -","4","1","","Yang, Yuzhu; Yao, Jinzhong; Zhang, Yuhong","Synthesis of polysubstituted furans via copper-mediated annulation of alkyl ketones with α,β-unsaturated carboxylic acids.","Organic letters","2013","15","13","3206","3209","10.1021/ol400912v","","","0.71073","MoKα","","0.0632","0.0431","","","0.097","0.1098","","","","","","1.026","","","","has coordinates","243508","2020-10-21","18:00:00",""
"1556155","15.6316","0.0011","14.9322","0.0011","15.632","","90","","90","","90","","3648.7","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H21 Cl N O Rh -","- C20 H21 Cl N O Rh -","- C160 H168 Cl8 N8 O8 Rh8 -","8","1","","Zhou, Bing; Du, Juanjuan; Yang, Yaxi; Li, Yuanchao","Rhodium(III)-catalyzed intermolecular direct amidation of aldehyde C-H bonds with N-chloroamines at room temperature.","Organic letters","2013","15","12","2934","2937","10.1021/ol400921r","","","0.71073","MoKα","","0.089","0.042","","","0.0775","0.0904","","","","","","1.005","","","","has coordinates","243509","2020-10-21","18:00:00",""
"1556156","7.9401","0.0004","11.866","0.0005","12.2428","0.0005","89.151","0.003","82.917","0.003","83.972","0.003","1138.35","0.09","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 F6 I O6 S2 -","- C16 H19 F6 I O6 S2 -","- C32 H38 F12 I2 O12 S4 -","2","1","","Saito, Akio; Taniguchi, Akihiro; Kambara, Yui; Hanzawa, Yuji","Metal-free [2 + 2 + 1] annulation of alkynes, nitriles, and oxygen atoms: iodine(III)-mediated synthesis of highly substituted oxazoles.","Organic letters","2013","15","11","2672","2675","10.1021/ol4009816","","","1.54187","CuKα","","","0.0573","","","","0.1144","","","","","","0.999","","","","has coordinates","243510","2020-10-21","18:00:00",""
"1556157","9.5556","0.001","10.9143","0.0011","21.922","0.003","95.336","0.001","99.004","0.001","114.209","0.001","2028","0.4","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C58 H40 N4 -","- C58 H40 N4 -","- C116 H80 N8 -","2","1","","Mutoh, Katsuya; Shima, Kentaro; Yamaguchi, Tetsuo; Kobayashi, Masayuki; Abe, Jiro","Photochromism of a naphthalene-bridged imidazole dimer constrained to the ""anti"" conformation.","Organic letters","2013","15","12","2938","2941","10.1021/ol401012u","","","0.71073","MoKα","","0.0563","0.045","","","0.1117","0.1188","","","","","","1.022","","","","has coordinates","243511","2020-10-21","18:00:00",""
"1556158","10.0241","0.0004","10.2749","0.0004","16.6432","0.0006","90","","90","","90","","1714.19","0.11","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Mycrophyllandiolide","","","- C20 H20 O6 -","- C20 H20 O6 -","- C80 H80 O24 -","4","1","","Bautista, Elihú; Toscano, Rubén Alfredo; Ortega, Alfredo","Microphyllandiolide, a new diterpene with an unprecedented skeleton from Salvia microphylla.","Organic letters","2013","15","13","3210","3213","10.1021/ol401022c","","","1.54184","CuKα","","0.0309","0.0308","","","0.0922","0.0923","","","","","","1.1","","","","has coordinates,has disorder","243512","2020-10-21","18:00:00",""
"1556159","7.1383","0.0001","10.6018","0.0001","12.0383","0.0001","90","","102.375","0.0006","90","","889.876","0.017","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 F N3 O -","- C21 H20 F N3 O -","- C42 H40 F2 N6 O2 -","2","1","","Aillaud, Isabelle; Barber, David M.; Thompson, Amber L.; Dixon, Darren J.","Enantioselective Michael addition/iminium ion cyclization cascades of tryptamine-derived ureas.","Organic letters","2013","15","12","2946","2949","10.1021/ol401039h","","","1.5418","CuKα","","0.0259","0.0258","","0.0665","0.0664","0.0665","","","","","","0.9678","","","","has coordinates","243513","2020-10-21","18:00:00",""
"1556160","9.2544","0.0006","10.1036","0.0007","14.037","0.001","89.263","0.001","76.663","0.001","84.842","0.001","1271.89","0.15","90","2","90","2","","","","","","","","7","P -1","-P 1","2","oxindole with methylene chloride solvate","","","- C23 H35 Cl2 F N2 O3 Si -","- C23 H35 Cl2 F N2 O3 Si -","- C46 H70 Cl4 F2 N4 O6 Si2 -","2","1","","Shupe, Benjamin H.; Allen, Emily E.; MacDonald, Jacob P.; Wilson, Sean O.; Franz, Annaliese K.","Synthesis of spirocarbamate oxindoles via intramolecular trapping of a β-silyl carbocation by an N-Boc group.","Organic letters","2013","15","13","3218","3221","10.1021/ol4010867","","","0.71073","MoKα","","0.0479","0.0431","","","0.1066","0.1105","","","","","","1.038","","","","has coordinates,has disorder","243514","2020-10-21","18:00:00",""
"1556161","9.5934","0.0017","34.977","0.006","6.9856","0.0013","90","","111.154","0.009","90","","2186.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl O4 -","- C12 H9 Cl O4 -","- C96 H72 Cl8 O32 -","8","2","","Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F","Asymmetric construction of spirocyclopentenebenzofuranone core structures via highly selective phosphine-catalyzed [3 + 2] cycloaddition reactions.","Organic letters","2013","15","12","2958","2961","10.1021/ol401087a","","","0.71073","MoKα","","0.0966","0.0689","","","0.1481","0.1589","","","","","","1.103","","","","has coordinates","243515","2020-10-21","18:00:00",""
"1556162","19.1393","0.0003","19.1393","0.0003","10.2697","0.0002","90","","90","","120","","3257.92","0.1","200","2","200","2","","","","","","","","3","P 65","P 65","170","","","","- C24 H22 O6 -","- C24 H22 O6 -","- C144 H132 O36 -","6","1","","Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F","Asymmetric construction of spirocyclopentenebenzofuranone core structures via highly selective phosphine-catalyzed [3 + 2] cycloaddition reactions.","Organic letters","2013","15","12","2958","2961","10.1021/ol401087a","","","1.54178","CuKα","","0.0381","0.0336","","","0.0789","0.0813","","","","","","1.064","","","","has coordinates","243516","2020-10-21","18:00:00",""
"1556163","8.0607","0.0005","12.2714","0.0007","11.6095","0.0006","90","","91.224","0.003","90","","1148.1","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 O5 -","- C13 H12 O5 -","- C52 H48 O20 -","4","1","","Albertshofer, Klaus; Tan, Bin; Barbas, 3rd, Carlos F","Asymmetric construction of spirocyclopentenebenzofuranone core structures via highly selective phosphine-catalyzed [3 + 2] cycloaddition reactions.","Organic letters","2013","15","12","2958","2961","10.1021/ol401087a","","","1.54178","CuKα","","0.0464","0.039","","","0.1073","0.1149","","","","","","1.072","","","","has coordinates","243517","2020-10-21","18:00:00",""
"1556164","9.8245","0.0006","10.2504","0.0006","17.1303","0.0011","98.958","0.001","106.078","0.001","97.745","0.001","1608.4","0.17","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H40 Si3 -","- C36 H40 Si3 -","- C72 H80 Si6 -","2","1","","Kinoshita, Hidenori; Takahashi, Hirotoshi; Miura, Katsukiyo","Regioselective synthesis of multisubstituted benzenes by palladium-catalyzed intermolecular reaction of β-iodo-β-silylstyrenes with alkynes.","Organic letters","2013","15","12","2962","2965","10.1021/ol4010883","","","0.71073","MoKα","","0.0362","0.0343","","","0.1421","0.1497","","","","","","1.357","","","","has coordinates","243518","2020-10-21","18:00:00",""
"1556165","10.6578","0.0007","14.5155","0.001","39.626","0.003","90","","91.372","0.001","90","","6128.5","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Si -","- C37 H30 Si -","- C296 H240 Si8 -","8","2","","Kinoshita, Hidenori; Takahashi, Hirotoshi; Miura, Katsukiyo","Regioselective synthesis of multisubstituted benzenes by palladium-catalyzed intermolecular reaction of β-iodo-β-silylstyrenes with alkynes.","Organic letters","2013","15","12","2962","2965","10.1021/ol4010883","","","0.71073","MoKα","","0.0718","0.0545","","","0.1013","0.1039","","","","","","1.492","","","","has coordinates,has disorder","243519","2020-10-21","18:00:00",""
"1556166","13.2419","0.0016","8.6081","0.001","15.4864","0.0019","90","","109.76","0.001","90","","1661.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 N2 O Si -","- C17 H24 N2 O Si -","- C68 H96 N8 O4 Si4 -","4","1","","Liu, Huaqing; O'Connor, Matthew J; Sun, Chunrui; Wink, Donald J.; Lee, Daesung","Sequential reactions of trimethylsilyldiazomethane with 4-alkenyl ketones and aldehydes catalyzed by Lewis bases.","Organic letters","2013","15","12","2974","2977","10.1021/ol401124t","","","0.71073","MoKα","","0.0482","0.035","","","0.113","0.1249","","","","","","0.947","","","","has coordinates","243520","2020-10-21","18:00:00",""
"1556167","6.6646","0.0004","8.5137","0.0004","30.7646","0.0015","90","","90","","90","","1745.6","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N2 O3 Si -","- C16 H28 N2 O3 Si -","- C64 H112 N8 O12 Si4 -","4","1","","Liu, Huaqing; O'Connor, Matthew J; Sun, Chunrui; Wink, Donald J.; Lee, Daesung","Sequential reactions of trimethylsilyldiazomethane with 4-alkenyl ketones and aldehydes catalyzed by Lewis bases.","Organic letters","2013","15","12","2974","2977","10.1021/ol401124t","","","1.54178","CuKα","","0.0455","0.0443","","","0.109","0.1096","","","","","","1.118","","","","has coordinates","243521","2020-10-21","18:00:00",""
"1556168","8.4425","0.0008","13.9418","0.0013","17.4523","0.0016","90","","91.014","0.002","90","","2053.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N2 O Si -","- C21 H30 N2 O Si -","- C84 H120 N8 O4 Si4 -","4","1","","Liu, Huaqing; O'Connor, Matthew J; Sun, Chunrui; Wink, Donald J.; Lee, Daesung","Sequential reactions of trimethylsilyldiazomethane with 4-alkenyl ketones and aldehydes catalyzed by Lewis bases.","Organic letters","2013","15","12","2974","2977","10.1021/ol401124t","","","0.71073","MoKα","","0.081","0.0549","","","0.1238","0.1353","","","","","","1.003","","","","has coordinates","243522","2020-10-21","18:00:00",""
"1556169","6.1243","0.0013","7.9668","0.0017","12.884","0.003","90","","98.931","0.003","90","","621","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H20 N2 O Si -","- C12 H20 N2 O Si -","- C24 H40 N4 O2 Si2 -","2","1","","Liu, Huaqing; O'Connor, Matthew J; Sun, Chunrui; Wink, Donald J.; Lee, Daesung","Sequential reactions of trimethylsilyldiazomethane with 4-alkenyl ketones and aldehydes catalyzed by Lewis bases.","Organic letters","2013","15","12","2974","2977","10.1021/ol401124t","","","0.71073","MoKα","","0.0444","0.0344","","","0.0969","0.1059","","","","","","0.803","","","","has coordinates","243523","2020-10-21","18:00:00",""
"1556170","7.49","0.0009","14.7964","0.0011","11.472","0.0012","90","","107.785","0.011","90","","1210.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C64 H40 N8 O8 -","4","1","","Wang, Chen; Zhang, Lianpeng; Ren, Anni; Lu, Ping; Wang, Yanguang","Cu-catalyzed synthesis of tryptanthrin derivatives from substituted indoles.","Organic letters","2013","15","12","2982","2985","10.1021/ol401144m","","","0.71073","MoKα","","0.0692","0.044","","","0.0963","0.1101","","","","","","1.043","","","","has coordinates","243524","2020-10-21","18:00:00",""
"1556171","8.856","0.0005","11.3252","0.0006","12.3448","0.0007","109.775","0.001","92.023","0.001","112.173","0.001","1059.92","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 O3 S -","- C27 H24 O3 S -","- C54 H48 O6 S2 -","2","1","","Chang, Meng-Yang; Wu, Ming-Hao; Chen, Yeh-Long","One-pot synthesis of substituted tetrahydrocyclobuta[a]naphthalenes by domino aldol condensation/olefin migration/electrocyclization.","Organic letters","2013","15","11","2822","2825","10.1021/ol401152w","","","0.71073","MoKα","","0.0431","0.0347","","","0.0861","0.0902","","","","","","1.053","","","","has coordinates","243525","2020-10-21","18:00:00",""
"1556172","6.1008","0.0002","7.6894","0.0002","17.0974","0.0004","90","","99.543","0.001","90","","790.97","0.04","215","2","215","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O -","- C19 H23 N O -","- C38 H46 N2 O2 -","2","1","","Hansmann, Max M.; Hashmi, A Stephen K; Lautens, Mark","Gold meets rhodium: tandem one-pot synthesis of β-disubstituted ketones via Meyer-Schuster rearrangement and asymmetric 1,4-addition.","Organic letters","2013","15","13","3226","3229","10.1021/ol4011739","","","1.54178","CuKα","","0.0259","0.0257","","","0.0728","0.0732","","","","","","1.043","","","","has coordinates","243526","2020-10-21","18:00:00",""
"1556173","10.0001","0.0003","10.0316","0.0004","19.1693","0.0006","90","","90","","90","","1923.01","0.11","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br O -","- C23 H21 Br O -","- C92 H84 Br4 O4 -","4","1","","Hansmann, Max M.; Hashmi, A Stephen K; Lautens, Mark","Gold meets rhodium: tandem one-pot synthesis of β-disubstituted ketones via Meyer-Schuster rearrangement and asymmetric 1,4-addition.","Organic letters","2013","15","13","3226","3229","10.1021/ol4011739","","","1.54178","CuKα","","0.0709","0.0519","","","0.1287","0.1396","","","","","","1.061","","","","has coordinates","243527","2020-10-21","18:00:00",""
"1556174","9.4044","0.0015","19.072","0.002","18.984","0.002","90","","101.853","0.003","90","","3332.4","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C168 H168 N8 O16 -","8","2","","Chen, Te-Yu; Krische, Michael J.","Regioselective ruthenium catalyzed hydrohydroxyalkylation of dienes with 3-hydroxy-2-oxindoles: prenylation, geranylation, and beyond.","Organic letters","2013","15","12","2994","2997","10.1021/ol401184k","","","0.71075","MoKα","","0.1653","0.0844","","","0.1457","0.174","","","","","","1.075","","","","has coordinates","243528","2020-10-21","18:00:00",""
"1556175","12.587","0.003","8.748","0.002","14.954","0.003","90","","90.12","","90","","1646.6","0.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 S -","- C17 H16 N2 O3 S -","- C68 H64 N8 O12 S4 -","4","1","","Parella, Ramarao; Gopalakrishnan, Bojan; Babu, Srinivasarao Arulananda","Auxiliary-enabled Pd-catalyzed direct arylation of methylene C(sp3)-H bond of cyclopropanes: highly diastereoselective assembling of di- and trisubstituted cyclopropanecarboxamides.","Organic letters","2013","15","13","3238","3241","10.1021/ol4012212","","","0.71073","MOKα","","0.0866","0.0674","","","0.1718","0.1809","","","","","","0.957","","","","has coordinates","243529","2020-10-21","18:00:00",""
"1556176","18.0952","0.0009","10.2372","0.0005","21.8977","0.001","90","","94.54","0.003","90","","4043.7","0.3","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 N3 O3 -","- C25 H19 N3 O3 -","- C200 H152 N24 O24 -","8","1","","Parella, Ramarao; Gopalakrishnan, Bojan; Babu, Srinivasarao Arulananda","Auxiliary-enabled Pd-catalyzed direct arylation of methylene C(sp3)-H bond of cyclopropanes: highly diastereoselective assembling of di- and trisubstituted cyclopropanecarboxamides.","Organic letters","2013","15","13","3238","3241","10.1021/ol4012212","","","0.71073","MoKα","","0.099","0.0488","","","0.1011","0.1225","","","","","","1.021","","","","has coordinates","243530","2020-10-21","18:00:00",""
"1556177","11.075","0.003","10.665","0.003","16.846","0.005","90","","100.97","0.004","90","","1953.4","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C100 H80 N8 O4 -","4","1","","Parella, Ramarao; Gopalakrishnan, Bojan; Babu, Srinivasarao Arulananda","Auxiliary-enabled Pd-catalyzed direct arylation of methylene C(sp3)-H bond of cyclopropanes: highly diastereoselective assembling of di- and trisubstituted cyclopropanecarboxamides.","Organic letters","2013","15","13","3238","3241","10.1021/ol4012212","","","0.71073","MoKα","","0.0955","0.0475","","","0.1058","0.1239","","","","","","0.846","","","","has coordinates","243531","2020-10-21","18:00:00",""
"1556178","8.957","0.002","12.165","0.004","17.911","0.005","90.195","0.016","104.25","0.02","90.15","0.017","1891.5","0.9","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O S -","- C23 H21 N O S -","- C92 H84 N4 O4 S4 -","4","2","","Parella, Ramarao; Gopalakrishnan, Bojan; Babu, Srinivasarao Arulananda","Auxiliary-enabled Pd-catalyzed direct arylation of methylene C(sp3)-H bond of cyclopropanes: highly diastereoselective assembling of di- and trisubstituted cyclopropanecarboxamides.","Organic letters","2013","15","13","3238","3241","10.1021/ol4012212","","","0.71073","MoKα","","0.1397","0.0847","","","0.2016","0.2418","","","","","","0.967","","","","has coordinates","243532","2020-10-21","18:00:00",""
"1556179","13.639","0.003","10.357","0.002","12.061","0.002","90","","106.519","0.002","90","","1633.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Parella, Ramarao; Gopalakrishnan, Bojan; Babu, Srinivasarao Arulananda","Auxiliary-enabled Pd-catalyzed direct arylation of methylene C(sp3)-H bond of cyclopropanes: highly diastereoselective assembling of di- and trisubstituted cyclopropanecarboxamides.","Organic letters","2013","15","13","3238","3241","10.1021/ol4012212","","","0.71073","MoKα","","0.0675","0.0427","","","0.109","0.1204","","","","","","0.996","","","","has coordinates","243533","2020-10-21","18:00:00",""
"1556180","9.0832","0.0004","10.4022","0.0004","11.9282","0.0004","69","0.003","81.227","0.003","83.991","0.003","1038.34","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C48 H38 N6 O6 -","2","1","","Ramachary, D. B.; Venkaiah, Chintalapudi; Madhavachary, R.","Asymmetric synthesis of druglike six-membered spirooxindoles through an amino enyne catalysis.","Organic letters","2013","15","12","3042","3045","10.1021/ol401227q","","","1.54184","CuKα","","0.0478","0.043","","","0.122","0.1263","","","","","","1.052","","","","has coordinates","243534","2020-10-21","18:00:00",""
"1556181","6.7978","0.0002","13.7806","0.0004","19.1936","0.0007","90","","90","","90","","1798.01","0.1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H12 Cl N3 O2 -","- C21 H12 Cl N3 O2 -","- C84 H48 Cl4 N12 O8 -","4","1","","Ramachary, D. B.; Venkaiah, Chintalapudi; Madhavachary, R.","Asymmetric synthesis of druglike six-membered spirooxindoles through an amino enyne catalysis.","Organic letters","2013","15","12","3042","3045","10.1021/ol401227q","","","1.54184","CuKα","","0.0453","0.0392","","","0.1152","0.124","","","","","","0.875","","","","has coordinates","243535","2020-10-21","18:00:00",""
"1556182","14.431","0.004","8.092","0.002","36.817","0.01","90","","91.972","0.004","90","","4297","2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 O4 -","- C28 H22 O4 -","- C224 H176 O32 -","8","2","","Li, Erqing; Huang, You; Liang, Ling; Xie, Peizhong","Phosphine-catalyzed [4 + 2] annulation of γ-substituent allenoates: facile access to functionalized spirocyclic skeletons.","Organic letters","2013","15","12","3138","3141","10.1021/ol401249e","","","0.71073","MoKα","","0.0859","0.0764","","","0.1769","0.1838","","","","","","1.087","","","","has coordinates","243536","2020-10-21","18:00:00",""
"1556183","9.653","0.0005","9.653","0.0005","40.391","0.002","90","","90","","90","","3763.6","0.3","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C20 H32 O5 -","- C20 H32 O5 -","- C160 H256 O40 -","8","1","","Zhang, Mengke; Zhu, Yan; Zhan, Guanqun; Shu, Penghua; Sa, Rongjian; Lei, Liang; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Wan, Qian; Yao, Guangmin; Zhang, Yonghui","Micranthanone A, a new diterpene with an unprecedented carbon skeleton from Rhododendron micranthum.","Organic letters","2013","15","12","3094","3097","10.1021/ol401292y","","","1.54178","CuKα","","0.0695","0.06","","","0.1553","0.2052","","","","","","1.193","","","","has coordinates","243537","2020-10-21","18:00:00",""
"1556184","9.2161","0.0003","14.354","0.0004","21.9606","0.0006","90","","90","","90","","2905.12","0.15","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H44 O9 -","- C31 H44 O9 -","- C124 H176 O36 -","4","1","","Zhang, Mengke; Zhu, Yan; Zhan, Guanqun; Shu, Penghua; Sa, Rongjian; Lei, Liang; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Wan, Qian; Yao, Guangmin; Zhang, Yonghui","Micranthanone A, a new diterpene with an unprecedented carbon skeleton from Rhododendron micranthum.","Organic letters","2013","15","12","3094","3097","10.1021/ol401292y","","","1.54178","CuKα","","0.0343","0.0338","","","0.0923","0.0928","","","","","","1.047","","","","has coordinates,has disorder","243538","2020-10-21","18:00:00",""
"1556185","6.1044","0.0002","9.3857","0.0003","14.7205","0.0005","78.9278","0.0017","79.0335","0.0019","82.9068","0.0019","809.27","0.05","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C17 H17 Br O4 -","- C17 H17 Br O4 -","- C34 H34 Br2 O8 -","2","1","","Woodall, Erica L.; Simanis, Justin A.; Hamaker, Christopher G.; Goodell, John R.; Mitchell, T. Andrew","Unique reactivity of anti- and syn-acetoxypyranones en route to oxidopyrylium intermediates leading to a cascade process.","Organic letters","2013","15","13","3270","3273","10.1021/ol4012986","","x-ray","0.71073","MoKα","","0.035","0.0315","","","0.0767","0.0781","","","","","","1.094","","","","has coordinates","243539","2020-10-21","18:00:00",""
"1556186","9.439","0.007","13.768","0.01","26.584","0.019","90","","90","","90","","3455","4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Cl N5 O2 -","- C37 H40 Cl N5 O2 -","- C148 H160 Cl4 N20 O8 -","4","1","","Zou, Liwei; Wang, Baomin; Mu, Hongfang; Zhang, Huanrui; Song, Yuming; Qu, Jingping","Development of tartaric acid derived chiral guanidines and their application to catalytic enantioselective α-hydroxylation of β-dicarbonyl compounds.","Organic letters","2013","15","12","3106","3109","10.1021/ol401306h","","","0.71073","MoKα","","0.1131","0.0601","","","0.1389","0.1577","","","","","","1","","","","has coordinates","243540","2020-10-21","18:00:00",""
"1556187","9.5437","0.0016","15.151","0.003","10.6193","0.0019","90","","111.641","0.008","90","","1427.3","0.5","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H26 F N O4 S2 -","- C34 H26 F N O4 S2 -","- C68 H52 F2 N2 O8 S4 -","2","1","","Matsuzaki, Kohei; Furukawa, Tatsuya; Tokunaga, Etsuko; Matsumoto, Takashi; Shiro, Motoo; Shibata, Norio","Highly enantioselective monofluoromethylation of C2-arylindoles using FBSM under chiral phase-transfer catalysis.","Organic letters","2013","15","13","3282","3285","10.1021/ol4013102","","","1.54187","CuKα","","","0.0803","","","","0.207","","","","","","1.029","","","","has coordinates","243541","2020-10-21","18:00:00",""
"1556188","6.872","0.003","22.864","0.007","25.039","0.009","70.46","0.02","85.66","0.03","76.63","0.03","3607","2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C40.6 H39.25 Cl0.35 F5 N1.5 O4 -","- C40.6 H39.25 Cl0.35 F5 N1.5 O4 -","- C162.4 H157 Cl1.4 F20 N6 O16 -","4","2","","Ito, Satoru; Hiroto, Satoru; Shinokubo, Hiroshi","Synthesis of pyridine-fused perylene imides with an amidine moiety for hydrogen bonding.","Organic letters","2013","15","12","3110","3113","10.1021/ol401316q","","","0.71075","MoKα","","0.3475","0.1691","","","0.3912","0.4973","","","","","","1.055","","","","has coordinates","243542","2020-10-21","18:00:00",""
"1556189","6.2434","0.0005","8.0127","0.0007","21.1301","0.0018","90","","90.262","0.002","90","","1057.05","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H26 O4 -","- C24 H26 O4 -","- C48 H52 O8 -","2","1","","Ni, Shengjun; Chen, Jie; Ma, Shengming","Unexpected regioselectivity switch: organophosphine-triggered reactions of cyclopropene-1,1-dicarboxylates with aldehydes.","Organic letters","2013","15","13","3290","3293","10.1021/ol401324z","","","0.71073","MoKα","","0.0593","0.0472","","","0.1223","0.131","","","","","","1.029","","","","has coordinates","243543","2020-10-21","18:00:00",""
"1556190","10.0966","0.0009","10.7209","0.0009","13.1753","0.0011","94.573","0.002","94.171","0.002","109.28","0.002","1334.4","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 B O2 Si -","- C28 H33 B O2 Si -","- C56 H66 B2 O4 Si2 -","2","1","","Jiao, Jiao; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of multisubstituted olefins through regio- and stereoselective silylborylation of an alkynylboronate/chemoselective cross-coupling sequences.","Organic letters","2013","15","13","3294","3297","10.1021/ol401333j","","","0.71075","MoKα","","0.1186","0.0714","","","0.1774","0.2063","","","","","","1.026","","","","has coordinates","243544","2020-10-21","18:00:00",""
"1556191","9.6731","0.0011","12.2468","0.0014","13.2905","0.0014","106.215","0.002","91.906","0.002","104.067","0.002","1457.8","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 B2 O4 Si -","- C28 H40 B2 O4 Si -","- C56 H80 B4 O8 Si2 -","2","1","","Jiao, Jiao; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of multisubstituted olefins through regio- and stereoselective silylborylation of an alkynylboronate/chemoselective cross-coupling sequences.","Organic letters","2013","15","13","3294","3297","10.1021/ol401333j","","","0.71075","MoKα","","0.2351","0.1058","","","0.1969","0.2558","","","","","","1.06","","","","has coordinates","243545","2020-10-21","18:00:00",""
"1556192","10.299","0.004","12.07","0.006","19.582","0.006","89.885","0.015","86.412","0.013","78.391","0.017","2379.6","1.7","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 F3 N O -","- C29 H20 F3 N O -","- C116 H80 F12 N4 O4 -","4","2","","Jiao, Jiao; Nakajima, Kiyohiko; Nishihara, Yasushi","Synthesis of multisubstituted olefins through regio- and stereoselective silylborylation of an alkynylboronate/chemoselective cross-coupling sequences.","Organic letters","2013","15","13","3294","3297","10.1021/ol401333j","","","0.71075","MoKα","","0.1988","0.0759","","","0.1889","0.246","","","","","","0.938","","","","has coordinates","243546","2020-10-21","18:00:00",""
"1556193","9.8739","0.0005","19.0209","0.0009","13.9849","0.0007","90","","94.282","0.001","90","","2619.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","13024a","","","- C30 H26 Br2 O5 -","- C30 H26 Br2 O5 -","- C120 H104 Br8 O20 -","4","1","","Yeom, Hyun-Suk; Li, Hui; Tang, Yu; Hsung, Richard P.","Total syntheses of cannabicyclol, clusiacyclol A and B, iso-eriobrucinol A and B, and eriobrucinol.","Organic letters","2013","15","12","3130","3133","10.1021/ol401335u","","","0.71073","MoKα","","0.0499","0.036","","","0.0842","0.0899","","","","","","1.009","","","","has coordinates","243547","2020-10-21","18:00:00",""
"1556194","24.479","0.003","35.736","0.004","6.333","0.0008","90","","90","","90","","5540","1.2","113","2","113","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H20 O3 -","- C16 H20 O3 -","- C256 H320 O48 -","16","1","","Yeom, Hyun-Suk; Li, Hui; Tang, Yu; Hsung, Richard P.","Total syntheses of cannabicyclol, clusiacyclol A and B, iso-eriobrucinol A and B, and eriobrucinol.","Organic letters","2013","15","12","3130","3133","10.1021/ol401335u","","","0.71073","MoKα","","0.0622","0.0448","","","0.1055","0.1129","","","","","","1.022","","","","has coordinates,has disorder","243548","2020-10-21","18:00:00",""
"1556195","14.393","0.002","4.9376","0.0007","17.802","0.003","90","","101.306","0.004","90","","1240.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F3 N -","- C16 H10 F3 N -","- C64 H40 F12 N4 -","4","1","","Tiwari, Virendra Kumar; Pawar, Govind Goroba; Das, Riki; Adhikary, Amit; Kapur, Manmohan","Heteroatom-guided, palladium-catalyzed regioselective C-H functionalization in the synthesis of 3-arylquinolines.","Organic letters","2013","15","13","3310","3313","10.1021/ol401349a","","","0.71073","MoKα","","0.0663","0.0579","","","0.1352","0.142","","","","","","1.073","","","","has coordinates","243549","2020-10-21","18:00:00",""
"1556196","11.3125","0.0006","9.5581","0.0005","12.1929","0.0006","90","","111.496","0.0007","90","","1226.66","0.11","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C29 H31 B N2 O2 -","- C29 H31 B N2 O2 -","- C58 H62 B2 N4 O4 -","2","1","","Shaban Ragab, Sherif; Swaminathan, Subramani; Deniz, Erhan; Captain, Burjor; Raymo, Françisco M","Fluorescence photoactivation by ligand exchange around the boron center of a BODIPY chromophore.","Organic letters","2013","15","12","3154","3157","10.1021/ol401380n","","","0.71073","MoKα","","0.045","0.0393","","","0.1052","0.1102","","","","","","1.062","","","","has coordinates,has disorder","243550","2020-10-21","18:00:00",""
"1556197","11.1596","0.0003","9.7432","0.0003","13.8929","0.0004","90","","102.558","0.001","90","","1474.44","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","U-5 Dr Jun","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Chun, Yu Sung; Xuan, Zi; Kim, Ju Hyun; Lee, Sang-gi","An expedient and divergent tandem one-pot synthesis of pyrimidin-2,4-diones using the Blaise reaction intermediate.","Organic letters","2013","15","12","3162","3165","10.1021/ol401389j","","","0.71073","MoKα","","0.0422","0.0395","","","0.1071","0.1098","","","","","","1.061","","","","has coordinates","243551","2020-10-21","18:00:00",""
"1556198","8.1366","0.0005","12.602","0.0006","9.5079","0.0005","90","","110.672","0.003","90","","912.15","0.09","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H20 O3 S -","- C20 H20 O3 S -","- C40 H40 O6 S2 -","2","1","","Shirakawa, Seiji; Tokuda, Takashi; Kasai, Atsuyuki; Maruoka, Keiji","Design of chiral bifunctional quaternary phosphonium bromide catalysts possessing an amide moiety.","Organic letters","2013","15","13","3350","3353","10.1021/ol4013926","","","1.54187","CuKα","","","0.0369","","","","0.1343","","","","","","0.989","","","","has coordinates","243552","2020-10-21","18:00:00",""
"1556199","9.0022","0.0005","12.1545","0.0007","13.6525","0.0008","90","","101.948","0.002","90","","1461.46","0.15","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 F3 N O5 -","- C14 H14 F3 N O5 -","- C56 H56 F12 N4 O20 -","4","1","","Molander, Gary A.; Cavalcanti, Livia N.","Synthesis of trifluoromethylated isoxazolidines: 1,3-dipolar cycloaddition of nitrosoarenes, (trifluoromethyl)diazomethane, and alkenes.","Organic letters","2013","15","12","3166","3169","10.1021/ol401402d","","","0.71073","MoKα","","0.0291","0.028","","","0.0723","0.0736","","","","","","1.059","","","","has coordinates","243553","2020-10-21","18:00:00",""
"1556200","20.4457","0.0008","19.4232","0.0008","9.4746","0.0004","90","","90.583","0.002","90","","3762.4","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 F3 N O2 -","- C23 H18 F3 N O2 -","- C184 H144 F24 N8 O16 -","8","2","","Molander, Gary A.; Cavalcanti, Livia N.","Synthesis of trifluoromethylated isoxazolidines: 1,3-dipolar cycloaddition of nitrosoarenes, (trifluoromethyl)diazomethane, and alkenes.","Organic letters","2013","15","12","3166","3169","10.1021/ol401402d","","","0.71073","MoKα","","0.0636","0.0447","","","0.1044","0.1137","","","","","","1.057","","","","has coordinates","243555","2020-10-21","18:00:00",""
"1556201","7.2107","0.0019","11.437","0.003","11.361","0.003","90","","98.05","0.006","90","","927.7","0.4","373","2","373","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","","Maity, Soham; Naveen, Togati; Sharma, Upendra; Maiti, Debabrata","Stereoselective nitration of olefins with (t)BuONO and TEMPO: direct access to nitroolefins under metal-free conditions.","Organic letters","2013","15","13","3384","3387","10.1021/ol401426p","","","0.71073","MoKα","","0.1204","0.0828","","","0.2818","0.363","","","","","","1.194","","","","has coordinates","243556","2020-10-21","18:00:00",""
"1556202","22.2024","0.001","16.1149","0.0007","27.8962","0.0014","90","","103.284","0.0016","90","","9713.9","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C100 H150 Cl4 P4 -","- C100 H150 Cl4 P4 -","- C400 H600 Cl16 P16 -","4","1","","Ito, Shigekazu; Kobayashi, Makoto; Mikami, Koichi","Through-space electrostatic interaction between the electron-donating 1,3-diphosphacyclobutane-2,4-diyl units.","Organic letters","2013","15","13","3404","3407","10.1021/ol401456h","","","0.71075","MoKα","","0.1773","0.0928","","","0.2308","0.2856","","","","","","1.315","","","","has coordinates,has disorder","243557","2020-10-21","18:00:00",""
"1556203","24.5119","0.0012","11.5268","0.0004","10.5087","0.0005","90","","120.735","0.007","90","","2552.1","0.3","123","0.2","123","0.2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 O5 Si -","- C25 H42 O5 Si -","- C100 H168 O20 Si4 -","4","1","","Kreuzer, Andreas; Kerres, Sabine; Ertl, Thomas; Rücker, Hannelore; Amslinger, Sabine; Reiser, Oliver","Asymmetric synthesis of both enantiomers of arteludovicinolide A.","Organic letters","2013","15","13","3420","3423","10.1021/ol401473v","","x-ray","1.54184","CuKα","","0.0532","0.0406","","","0.1023","0.1113","","","","","","1.019","","","","has coordinates","243558","2020-10-21","18:00:00",""
"1556204","8.16912","0.00008","14.1495","0.00013","20.6305","0.0002","90","","90","","90","","2384.66","0.04","123","","123","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 O5 Si -","- C23 H38 O5 Si -","- C92 H152 O20 Si4 -","4","1","","Kreuzer, Andreas; Kerres, Sabine; Ertl, Thomas; Rücker, Hannelore; Amslinger, Sabine; Reiser, Oliver","Asymmetric synthesis of both enantiomers of arteludovicinolide A.","Organic letters","2013","15","13","3420","3423","10.1021/ol401473v","","x-ray","1.54184","CuKα","","0.0368","0.0355","","","0.0937","0.0957","","","","","","1.026","","","","has coordinates","243559","2020-10-21","18:00:00",""
"1556205","9.8721","0.0007","10.1397","0.0007","16.1579","0.0012","90","","90","","90","","1617.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Cl N2 O3 -","- C16 H21 Cl N2 O3 -","- C64 H84 Cl4 N8 O12 -","4","1","","Brawn, Ryan A.; Guimarães, Cristiano R W; McClure, Kim F.; Liras, Spiros","Enantioselective hydroarylation of bridged [3.2.1] heterocycles: an efficient entry into the homoepibatidine skeleton.","Organic letters","2013","15","13","3424","3427","10.1021/ol401477r","","","0.71073","MoKα","","0.0276","0.0268","","","0.0735","0.0742","","","","","","1.093","","","","has coordinates","243560","2020-10-21","18:00:00",""
"1556206","9.9446","0.0008","10.3967","0.0009","16.1629","0.0013","90","","90","","90","","1671.1","0.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 Cl N2 O3 -","- C16 H21 Cl N2 O3 -","- C64 H84 Cl4 N8 O12 -","4","1","","Brawn, Ryan A.; Guimarães, Cristiano R W; McClure, Kim F.; Liras, Spiros","Enantioselective hydroarylation of bridged [3.2.1] heterocycles: an efficient entry into the homoepibatidine skeleton.","Organic letters","2013","15","13","3424","3427","10.1021/ol401477r","","","1.54178","CuKα","","0.0625","0.0613","","","0.1649","0.1671","","","","","","1.069","","","","has coordinates","243561","2020-10-21","18:00:00",""
"1556207","7.5683","0.0007","11.9057","0.0016","14.1137","0.0018","102.206","0.011","101.521","0.01","92.584","0.008","1212.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N3 O3 -","- C26 H25 N3 O3 -","- C52 H50 N6 O6 -","2","1","","Lee, Boram; Chen, Shiyu; Heinis, Christian; Scopelliti, Rosario; Severin, Kay","Pattern-based sensing of peptides and aminoglycosides with a single molecular probe.","Organic letters","2013","15","13","3456","3459","10.1021/ol401495c","","","0.71073","MoKα","","0.108","0.0679","","","0.167","0.1883","","","","","","1.042","","","","has coordinates","243562","2020-10-21","18:00:00",""
"1556208","10.1792","0.0009","11.8174","0.0009","13.9668","0.0011","90.426","0.006","90.494","0.007","102.848","0.007","1637.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H41 N5 O3 -","- C38 H41 N5 O3 -","- C76 H82 N10 O6 -","2","1","","Lee, Boram; Chen, Shiyu; Heinis, Christian; Scopelliti, Rosario; Severin, Kay","Pattern-based sensing of peptides and aminoglycosides with a single molecular probe.","Organic letters","2013","15","13","3456","3459","10.1021/ol401495c","","","1.54178","CuKα","","0.0995","0.0834","","","0.2152","0.2449","","","","","","1.044","","","","has coordinates,has disorder","243563","2020-10-21","18:00:00",""
"1556209","35.073","0.004","8.211","0.0009","14.159","0.0014","90","","106.809","0.003","90","","3903.4","0.7","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 N2 -","- C27 H22 N2 -","- C216 H176 N16 -","8","1","","Zhu, Xu; Wang, Yi-Feng; Ren, Wei; Zhang, Feng-Lian; Chiba, Shunsuke","TEMPO-mediated aliphatic C-H oxidation with oximes and hydrazones.","Organic letters","2013","15","13","3214","3217","10.1021/ol4014969","","","0.71073","MoKα","","0.0776","0.0485","","","0.1284","0.1537","","","","","","1.044","","","","has coordinates","243564","2020-10-21","18:00:00",""
"1556210","10.7757","0.0006","11.1883","0.0007","19.7287","0.0012","80.672","0.003","74.688","0.003","68.604","0.002","2130.3","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C112 H88 N8 O4 -","4","2","","Zhu, Xu; Wang, Yi-Feng; Ren, Wei; Zhang, Feng-Lian; Chiba, Shunsuke","TEMPO-mediated aliphatic C-H oxidation with oximes and hydrazones.","Organic letters","2013","15","13","3214","3217","10.1021/ol4014969","","","0.71073","MoKα","","0.0818","0.0519","","","0.1266","0.1547","","","","","","1.063","","","","has coordinates","243565","2020-10-21","18:00:00",""
"1556211","10.107","0.0006","6.8488","0.0005","16.9251","0.0012","90","","90.667","0.006","90","","1171.49","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 S -","- C24 H24 N2 O5 S -","- C48 H48 N4 O10 S2 -","2","1","","Meninno, Sara; Croce, Gianluca; Lattanzi, Alessandra","Asymmetric synthesis of trisubstituted tetrahydrothiophenes bearing a quaternary stereocenter via double Michael reaction involving dynamic kinetic resolution.","Organic letters","2013","15","13","3436","3439","10.1021/ol4014975","","","0.71073","MoKα","","0.1119","0.0514","","","0.0865","0.1025","","","","","","0.975","","","","has coordinates","243566","2020-10-21","18:00:00",""
"1556212","11.835","0.005","11.975","0.005","12.118","0.005","61.205","0.005","84.631","0.005","63.739","0.005","1334","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H33 N O3 S -","- C28 H33 N O3 S -","- C56 H66 N2 O6 S2 -","2","1","","Meninno, Sara; Croce, Gianluca; Lattanzi, Alessandra","Asymmetric synthesis of trisubstituted tetrahydrothiophenes bearing a quaternary stereocenter via double Michael reaction involving dynamic kinetic resolution.","Organic letters","2013","15","13","3436","3439","10.1021/ol4014975","","","0.71073","MoKα","","0.2377","0.1269","","","0.2229","0.2724","","","","","","1.069","","","","has coordinates,has disorder","243567","2020-10-21","18:00:00",""
"1556213","12.6783","0.0015","7.099","0.0007","23.032","0.002","90","","90","","90","","2073","0.4","200","1","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H8 N2 O2 -","- C13 H8 N2 O2 -","- C104 H64 N16 O16 -","8","1","","Slowinski, Franck; Ben Ayad, Omar; Ziyaret, Ozge; Botuha, Candice; Le Falher, Laetitia; Aouane, Kamel; Thorimbert, Serge","Expeditive access to 2-substituted 4H-pyrido[1,3]oxazin-4-ones via an intramolecular O-arylation.","Organic letters","2013","15","14","3494","3497","10.1021/ol401516e","","","0.71073","MoKα","","0.1095","0.0735","","","0.1947","0.2257","","","","","","1.086","","","","has coordinates","243568","2020-10-21","18:00:00",""
"1556214","13.7372","0.0008","18.5165","0.001","7.4853","0.0004","90","","97.958","0.002","90","","1885.66","0.18","200","1","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Br N2 Na O5 -","- C17 H18 Br N2 Na O5 -","- C68 H72 Br4 N8 Na4 O20 -","4","1","","Slowinski, Franck; Ben Ayad, Omar; Ziyaret, Ozge; Botuha, Candice; Le Falher, Laetitia; Aouane, Kamel; Thorimbert, Serge","Expeditive access to 2-substituted 4H-pyrido[1,3]oxazin-4-ones via an intramolecular O-arylation.","Organic letters","2013","15","14","3494","3497","10.1021/ol401516e","","","0.71073","MoKα","","0.0689","0.034","","","0.0677","0.0779","","","","","","1.01","","","","has coordinates","243569","2020-10-21","18:00:00",""
"1556215","7.3116","0.0005","15.2786","0.0011","16.3552","0.0011","105.854","0.005","95.436","0.006","95.125","0.005","1736.9","0.2","200","1","200","1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C84 H60 N12 O18 -","6","3","","Slowinski, Franck; Ben Ayad, Omar; Ziyaret, Ozge; Botuha, Candice; Le Falher, Laetitia; Aouane, Kamel; Thorimbert, Serge","Expeditive access to 2-substituted 4H-pyrido[1,3]oxazin-4-ones via an intramolecular O-arylation.","Organic letters","2013","15","14","3494","3497","10.1021/ol401516e","","","1.54178","CuKα","","0.1311","0.0587","","","0.133","0.1659","","","","","","0.947","","","","has coordinates","243570","2020-10-21","18:00:00",""
"1556216","8.584","0.003","11.098","0.004","12.526","0.005","71.237","0.005","74.269","0.004","80.711","0.005","1083.9","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H23 N O3 -","- C28 H23 N O3 -","- C56 H46 N2 O6 -","2","1","","Yang, Min; Tang, Jie; Fan, Renhua","Dearomatization strategy of β-enamino ester: construction of indenoazepines via tandem Michael addition/polycyclization.","Organic letters","2013","15","13","3464","3467","10.1021/ol401553n","","","0.71073","MoKα","","0.0694","0.0542","","","0.1472","0.1562","","","","","","0.957","","","","has coordinates","243571","2020-10-21","18:00:00",""
"1556217","19.519","0.008","7.83","0.003","18.538","0.008","90","","114.675","0.005","90","","2574.5","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N O5 S -","- C30 H29 N O5 S -","- C120 H116 N4 O20 S4 -","4","1","","Yang, Min; Tang, Jie; Fan, Renhua","Dearomatization strategy of β-enamino ester: construction of indenoazepines via tandem Michael addition/polycyclization.","Organic letters","2013","15","13","3464","3467","10.1021/ol401553n","","","0.71073","MoKα","","0.1126","0.049","","","0.0593","0.0656","","","","","","1.059","","","","has coordinates","243571","2020-10-21","18:00:00",""
"1556218","7.4941","0.0003","15.8862","0.0007","16.1019","0.0006","90","","90","","90","","1916.98","0.13","115","2","115","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","1","","de Robillard, Guillaume; Devillers, Charles H.; Kunz, Doris; Cattey, Hélène; Digard, Eric; Andrieu, Jacques","Electrosynthesis of imidazolium carboxylates.","Organic letters","2013","15","17","4410","4413","10.1021/ol401949f","","","0.71073","MoKα","","0.0696","0.0467","","","0.0968","0.1089","","","","","","1.102","","","","has coordinates","243572","2020-10-21","18:00:00",""
"1556219","8.6471","0.0003","16.9091","0.0007","7.308","0.0003","90","","111.426","0.002","90","","994.69","0.07","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Cl N2 O -","- C9 H13 Cl N2 O -","- C36 H52 Cl4 N8 O4 -","4","1","","de Robillard, Guillaume; Devillers, Charles H.; Kunz, Doris; Cattey, Hélène; Digard, Eric; Andrieu, Jacques","Electrosynthesis of imidazolium carboxylates.","Organic letters","2013","15","17","4410","4413","10.1021/ol401949f","","","0.71073","MoKα","","0.0404","0.0343","","","0.0774","0.0812","","","","","","1.065","","","","has coordinates","243572","2020-10-21","18:00:00",""
"1556220","6.161","0.002","19.878","0.004","23.992","0.005","90","","90","","90","","2938.3","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 Br O5 -","- C32 H37 Br O5 -","- C128 H148 Br4 O20 -","4","1","","Ma, Shuang-Gang; Gao, Rong-Mei; Li, Yu-Huan; Jiang, Jian-Dong; Gong, Ning-Bo; Li, Li; Lü, Yang; Tang, Wen-Zhao; Liu, Yun-Bao; Qu, Jing; Lü, Hai-Ning; Li, Yong; Yu, Shi-Shan","Antiviral spirooliganones A and B with unprecedented skeletons from the roots of Illicium oligandrum.","Organic letters","2013","15","17","4450","4453","10.1021/ol401992s","","","1.54178","CuKα","","0.0607","0.0541","","","0.128","0.1381","","","","","","1.006","","","","has coordinates,has disorder","243573","2020-10-21","18:00:00",""
"1556221","5.9898","0.0008","9.7098","0.0013","12.2465","0.0018","90.307","0.012","91.544","0.012","99.152","0.011","702.9","0.17","104","","104","","","","","","","","","4","P 1","P 1","1","","","","- C32 H37 Br O5 -","- C32 H37 Br O5 -","- C32 H37 Br O5 -","1","1","","Ma, Shuang-Gang; Gao, Rong-Mei; Li, Yu-Huan; Jiang, Jian-Dong; Gong, Ning-Bo; Li, Li; Lü, Yang; Tang, Wen-Zhao; Liu, Yun-Bao; Qu, Jing; Lü, Hai-Ning; Li, Yong; Yu, Shi-Shan","Antiviral spirooliganones A and B with unprecedented skeletons from the roots of Illicium oligandrum.","Organic letters","2013","15","17","4450","4453","10.1021/ol401992s","","","1.5418","CuKα","","0.0336","0.0335","","","0.0868","0.0869","","","","","","1.036","","","","has coordinates","243574","2020-10-21","18:00:00",""
"1556222","11.1938","0.0004","12.4627","0.0003","18.0716","0.0007","73.603","0.002","80.954","0.003","72.955","0.002","2304.67","0.14","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C25 H30 B F2 N3 O2 -","- C23.858 H26.574 B F2 N3 O1.429 -","- C95.432 H106.296 B4 F8 N12 O5.716 -","4","2","","Palao, Eduardo; Agarrabeitia, Antonia R.; Bañuelos-Prieto, Jorge; Lopez, Teresa Arbeloa; Lopez-Arbeloa, Iñigo; Armesto, Diego; Ortiz, Maria J.","8-Functionalization of alkyl-substituted-3,8-dimethyl BODIPYs by Knoevenagel condensation.","Organic letters","2013","15","17","4454","4457","10.1021/ol401993p","","x-ray","1.54184","CuKα","","0.0538","0.0462","","","0.1285","0.1345","","","","","","1.088","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1556223","8.2072","0.0015","10.1894","0.0018","11.851","0.002","81.335","0.015","74.018","0.016","72.15","0.016","904.5","0.3","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C21 H20 B F2 N3 O -","- C21 H20 B F2 N3 O -","- C42 H40 B2 F4 N6 O2 -","2","1","","Palao, Eduardo; Agarrabeitia, Antonia R.; Bañuelos-Prieto, Jorge; Lopez, Teresa Arbeloa; Lopez-Arbeloa, Iñigo; Armesto, Diego; Ortiz, Maria J.","8-Functionalization of alkyl-substituted-3,8-dimethyl BODIPYs by Knoevenagel condensation.","Organic letters","2013","15","17","4454","4457","10.1021/ol401993p","","x-ray","1.54184","CuKα","","0.0704","0.0459","","","0.1111","0.1237","","","","","","1.042","","","","has coordinates","243576","2020-10-21","18:00:00",""
"1556224","26.6729","0.001","7.6463","0.0002","22.0381","0.0007","90","","117.842","0.004","90","","3974.3","0.3","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H24 B F2 N3 O -","- C23 H24 B F2 N3 O -","- C184 H192 B8 F16 N24 O8 -","8","1","","Palao, Eduardo; Agarrabeitia, Antonia R.; Bañuelos-Prieto, Jorge; Lopez, Teresa Arbeloa; Lopez-Arbeloa, Iñigo; Armesto, Diego; Ortiz, Maria J.","8-Functionalization of alkyl-substituted-3,8-dimethyl BODIPYs by Knoevenagel condensation.","Organic letters","2013","15","17","4454","4457","10.1021/ol401993p","","x-ray","1.54184","CuKα","","0.0456","0.0385","","","0.1009","0.1066","","","","","","1.032","","","","has coordinates","243577","2020-10-21","18:00:00",""
"1556225","6.3964","0.0005","10.0934","0.0009","16.1699","0.0014","84.772","0.007","84.73","0.007","72.022","0.007","986.61","0.15","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C25 H26 B F2 N -","- C23 H26 B F2 N3 -","- C46 H52 B2 F4 N6 -","2","1","","Palao, Eduardo; Agarrabeitia, Antonia R.; Bañuelos-Prieto, Jorge; Lopez, Teresa Arbeloa; Lopez-Arbeloa, Iñigo; Armesto, Diego; Ortiz, Maria J.","8-Functionalization of alkyl-substituted-3,8-dimethyl BODIPYs by Knoevenagel condensation.","Organic letters","2013","15","17","4454","4457","10.1021/ol401993p","","x-ray","1.54184","CuKα","","0.093","0.0668","","","0.1747","0.1871","","","","","","1.111","","","","has coordinates","243578","2020-10-21","18:00:00",""
"1556226","7.4834","0.0004","10.5795","0.0004","11.2482","0.0005","91.434","0.003","98.156","0.004","105.154","0.004","849.07","0.07","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C20 H19 B F2 N2 O -","- C20 H19 B F2 N2 O -","- C40 H38 B2 F4 N4 O2 -","2","1","","Palao, Eduardo; Agarrabeitia, Antonia R.; Bañuelos-Prieto, Jorge; Lopez, Teresa Arbeloa; Lopez-Arbeloa, Iñigo; Armesto, Diego; Ortiz, Maria J.","8-Functionalization of alkyl-substituted-3,8-dimethyl BODIPYs by Knoevenagel condensation.","Organic letters","2013","15","17","4454","4457","10.1021/ol401993p","","x-ray","1.54184","CuKα","","0.0374","0.0326","","","0.0822","0.0861","","","","","","1.027","","","","has coordinates","243579","2020-10-21","18:00:00",""
"1556227","11.2478","0.0001","18.8922","0.0002","9.1309","0.0001","90","","100.168","0.001","90","","1909.8","0.03","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 B F2 N2 O -","- C22 H23 B F2 N2 O -","- C88 H92 B4 F8 N8 O4 -","4","1","","Palao, Eduardo; Agarrabeitia, Antonia R.; Bañuelos-Prieto, Jorge; Lopez, Teresa Arbeloa; Lopez-Arbeloa, Iñigo; Armesto, Diego; Ortiz, Maria J.","8-Functionalization of alkyl-substituted-3,8-dimethyl BODIPYs by Knoevenagel condensation.","Organic letters","2013","15","17","4454","4457","10.1021/ol401993p","","x-ray","1.54184","CuKα","","0.0369","0.0321","","","0.0802","0.083","","","","","","1.031","","","","has coordinates","243580","2020-10-21","18:00:00",""
"1556228","8.2523","0.0005","9.66","0.0006","15.0901","0.0009","79.648","0.004","84.413","0.004","82.507","0.004","1169.88","0.12","120","2","120","2","","","","","","","synthesis as described","5","P 1","P 1","1","","","","- C24 H31 N O3 S2 -","- C24 H31 N O3 S2 -","- C48 H62 N2 O6 S4 -","2","2","","Fernández de la Pradilla, Roberto; Simal, Carmen; Bates, Robert H.; Viso, Alma; Infantes, Lourdes","Sulfoxide-directed enantioselective synthesis of functionalized tetrahydropyridines.","Organic letters","2013","15","19","4936","4939","10.1021/ol402141d","","","1.54178","CuKα","","0.1326","0.121","","","0.3148","0.3321","","","","","","1.425","","","","has coordinates","243581","2020-10-21","18:00:00",""
"1556229","20.6418","0.0005","12.849","0.0003","20.8325","0.0006","90","","105.192","0.001","90","","5332.2","0.2","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br O4 -","- C8 H7 Br O4 -","- C192 H168 Br24 O96 -","24","6","","Klopfleisch, Maurice; Seidel, Raphael A.; Görls, Helmar; Richter, Hannes; Beckert, Rainer; Imhof, Wolfgang; Reiher, Markus; Pohnert, Georg; Westerhausen, Matthias","Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A).","Organic letters","2013","15","17","4608","4611","10.1021/ol402221b","","","0.71073","MoKα","","0.0944","0.048","","","0.1012","0.1154","","","","","","1.016","","","","has coordinates","243582","2020-10-21","18:00:00",""
"1556230","3.9163","0.0002","22.1922","0.0009","10.2727","0.0007","90","","100.989","0.002","90","","876.44","0.08","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Br O4 -","- C8 H7 Br O4 -","- C32 H28 Br4 O16 -","4","1","","Klopfleisch, Maurice; Seidel, Raphael A.; Görls, Helmar; Richter, Hannes; Beckert, Rainer; Imhof, Wolfgang; Reiher, Markus; Pohnert, Georg; Westerhausen, Matthias","Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A).","Organic letters","2013","15","17","4608","4611","10.1021/ol402221b","","","0.71073","MoKα","","0.0878","0.0418","","","0.0831","0.0966","","","","","","0.984","","","","has coordinates","243582","2020-10-21","18:00:00",""
"1556231","3.9281","0.0005","9.3038","0.0009","13.2519","0.0011","76.256","0.007","81.88","0.007","79.808","0.007","460.52","0.08","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","","Klopfleisch, Maurice; Seidel, Raphael A.; Görls, Helmar; Richter, Hannes; Beckert, Rainer; Imhof, Wolfgang; Reiher, Markus; Pohnert, Georg; Westerhausen, Matthias","Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A).","Organic letters","2013","15","17","4608","4611","10.1021/ol402221b","","","0.71073","MoKα","","0.0755","0.0464","","","0.098","0.1112","","","","","","1.045","","","","has coordinates","243582","2020-10-21","18:00:00",""
"1556232","21.3553","0.0008","6.084","0.0002","6.1592","0.0002","90","","90","","90","","800.24","0.05","183","2","183","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C8 H8 O4 -","- C8 H8 O4 -","- C32 H32 O16 -","4","0.5","","Klopfleisch, Maurice; Seidel, Raphael A.; Görls, Helmar; Richter, Hannes; Beckert, Rainer; Imhof, Wolfgang; Reiher, Markus; Pohnert, Georg; Westerhausen, Matthias","Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A).","Organic letters","2013","15","17","4608","4611","10.1021/ol402221b","","","0.71073","MoKα","","0.0442","0.0341","","","0.0882","0.0948","","","","","","1.07","","","","has coordinates","243582","2020-10-21","18:00:00",""
"1556233","10.7495","0.0006","10.7472","0.0006","7.1133","0.0004","90","","103.181","0.003","90","","800.13","0.08","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O3 -","- C8 H9 N O3 -","- C32 H36 N4 O12 -","4","1","","Klopfleisch, Maurice; Seidel, Raphael A.; Görls, Helmar; Richter, Hannes; Beckert, Rainer; Imhof, Wolfgang; Reiher, Markus; Pohnert, Georg; Westerhausen, Matthias","Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A).","Organic letters","2013","15","17","4608","4611","10.1021/ol402221b","","","0.71073","MoKα","","0.0808","0.0407","","","0.0915","0.113","","","","","","0.931","","","","has coordinates,has disorder","243582","2020-10-21","18:00:00",""
"1556234","7.3953","0.0005","9.4651","0.0005","11.7217","0.0006","113.616","0.002","92.812","0.003","103.815","0.003","720.3","0.07","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","2","","Klopfleisch, Maurice; Seidel, Raphael A.; Görls, Helmar; Richter, Hannes; Beckert, Rainer; Imhof, Wolfgang; Reiher, Markus; Pohnert, Georg; Westerhausen, Matthias","Total synthesis and detection of the bilirubin oxidation product (Z)-2-(3-ethenyl-4-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)ethanamide (Z-BOX A).","Organic letters","2013","15","17","4608","4611","10.1021/ol402221b","","","0.71073","MoKα","","0.0703","0.0439","","","0.1005","0.1138","","","","","","1.02","","","","has coordinates","243582","2020-10-21","18:00:00",""
"1556235","8.5127","0.0006","23.5267","0.0013","9.6294","0.0005","90","","90","","90","","1928.5","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C88 H112 O16 -","4","0.5","","Barbero, Asunción; Diez-Varga, Alberto; Pulido, Francisco J.","Multicomponent prins cyclization from allylsilyl alcohols leading to dioxaspirodecanes.","Organic letters","2013","15","20","5234","5237","10.1021/ol402425u","","","1.54184","CuKα","","0.0721","0.0562","","","0.1767","0.1965","","","","","","1.07","","","","has coordinates,has disorder","243583","2020-10-21","18:00:00",""
"1556236","5.8655","0.0002","17.9589","0.0005","19.3504","0.0005","90","","92.332","0.003","90","","2036.64","0.1","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 O4 -","- C23 H28 O4 -","- C92 H112 O16 -","4","1","","Barbero, Asunción; Diez-Varga, Alberto; Pulido, Francisco J.","Multicomponent prins cyclization from allylsilyl alcohols leading to dioxaspirodecanes.","Organic letters","2013","15","20","5234","5237","10.1021/ol402425u","","","1.54184","CuKα","","0.0698","0.0504","","","0.1374","0.1567","","","","","","1.029","","","","has coordinates,has disorder","243583","2020-10-21","18:00:00",""
"1556237","8.5625","0.0006","10.345","0.0007","13.4111","0.0008","101.833","0.003","103.203","0.003","108.39","0.004","1046.94","0.13","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O3 -","- C27 H24 O3 -","- C54 H48 O6 -","2","1","","Portalier, François; Bourdreux, Flavien; Marrot, Jérôme; Moreau, Xavier; Coeffard, Vincent; Greck, Christine","Merging oxidative dearomatization and aminocatalysis: one-pot enantioselective synthesis of tricyclic architectures.","Organic letters","2013","15","22","5642","5645","10.1021/ol402546h","","","0.71073","MoKα","","0.1079","0.0503","","","0.123","0.1392","","","","","","1.051","","","","has coordinates","243584","2020-10-21","18:00:00",""
"1556238","35.0181","0.0011","35.0181","0.0011","8.029","0.0002","90","","90","","120","","8526.6","0.4","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C16.17 H5.67 F5 N3 O1.17 P S2 -","- C16.17 H5.68 F5 N3 O1.17 P S2 -","- C291.06 H102.24 F90 N54 O21.06 P18 S36 -","18","1","","He, Xiaoming; Zhang, Ping; Lin, Jian-Bin; Huynh, Huy V.; Navarro Muñoz, Sandra E; Ling, Chang-Chun; Baumgartner, Thomas","Synthesis of P-triazole dithienophospholes and a cyclodextrin-based sensor via click chemistry.","Organic letters","2013","15","20","5322","5325","10.1021/ol402582p","","","0.71073","MoKα","","0.0803","0.062","","","0.1947","0.2202","","","","","","1.007","","","","has coordinates","243585","2020-10-21","18:00:00",""
"1556239","11.428","0.0004","11.743","0.0004","12.215","0.0004","103.705","0.002","104.42","0.002","93.621","0.0019","1529.34","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 N3 O P S2 -","- C16 H10 N3 O P S2 -","- C64 H40 N12 O4 P4 S8 -","4","2","","He, Xiaoming; Zhang, Ping; Lin, Jian-Bin; Huynh, Huy V.; Navarro Muñoz, Sandra E; Ling, Chang-Chun; Baumgartner, Thomas","Synthesis of P-triazole dithienophospholes and a cyclodextrin-based sensor via click chemistry.","Organic letters","2013","15","20","5322","5325","10.1021/ol402582p","","","0.71073","MoKα","","0.0573","0.0462","","","0.1242","0.1433","","","","","","1.007","","","","has coordinates","243585","2020-10-21","18:00:00",""
"1556240","9.3359","0.0004","10.747","0.0004","17.4403","0.0007","90","","104.217","0.002","90","","1696.24","0.12","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 F3 N O4 -","- C17 H18 F3 N O4 -","- C68 H72 F12 N4 O16 -","4","1","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71073","MoKα","","0.079","0.0567","","","0.1369","0.1583","","","","","","1.018","","","","has coordinates,has disorder","243586","2020-10-21","18:00:00",""
"1556241","15.2176","0.0006","10.8644","0.0005","11.2048","0.0005","90","","107.152","0.003","90","","1770.1","0.14","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C68 H96 Br4 N4 O8 -","4","1","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71073","MoKα","","0.0947","0.0408","","","0.0626","0.079","","","","","","1.006","","","","has coordinates,has disorder","243587","2020-10-21","18:00:00",""
"1556242","9.626","0.004","14.7","0.005","13.253","0.005","90","","108.098","0.005","90","","1782.5","1.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Br2 N O3 -","- C17 H21 Br2 N O3 -","- C68 H84 Br8 N4 O12 -","4","1","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71073","MoKα","","0.0436","0.037","","","0.1028","0.1073","","","","","","1.063","","","","has coordinates","243588","2020-10-21","18:00:00",""
"1556243","9.766","0.002","17.579","0.004","10.329","0.002","90","","99.562","0.005","90","","1748.6","0.6","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O2 -","- C18 H27 N O2 -","- C72 H108 N4 O8 -","4","1","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71075","MoKα","","0.0483","0.0405","","","0.0995","0.108","","","","","","1.013","","","","has coordinates","243589","2020-10-21","18:00:00",""
"1556244","10.361","0.002","15.234","0.003","10.793","0.002","90","","90.876","0.005","90","","1703.4","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Br2 N O3 -","- C16 H19 Br2 N O3 -","- C64 H76 Br8 N4 O12 -","4","1","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71075","MoKα","","0.0322","0.0279","","","0.0686","0.0706","","","","","","1.056","","","","has coordinates","243590","2020-10-21","18:00:00",""
"1556245","9.858","0.003","17.593","0.004","10.405","0.003","90","","100.114","0.002","90","","1776.5","0.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C68 H96 Br4 N4 O8 -","4","1","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71075","MoKα","","0.0329","0.028","","","0.0683","0.0706","","","","","","1.07","","","","has coordinates","243591","2020-10-21","18:00:00",""
"1556246","17.426","0.002","23.338","0.003","18.322","0.002","90","","101.814","0.004","90","","7293.5","1.5","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C272 H384 Br16 N16 O32 -","16","8","","Soheili, Arash; Tambar, Uttam K.","Synthesis of (±)-amathaspiramide F and discovery of an unusual stereocontrolling element for the [2,3]-Stevens rearrangement.","Organic letters","2013","15","19","5138","5141","10.1021/ol4025937","","","0.71075","MoKα","","0.2349","0.1063","","","0.2268","0.2965","","","","","","1.389","","","","has coordinates","243592","2020-10-21","18:00:00",""
"1556247","5.9898","0.0001","19.4167","0.0005","18.1253","0.0004","90","","98.273","0.001","90","","2086.07","0.08","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-2-tert-butyl-4-((4-nitrophenyl)(phenyl)methylene) -4H-benzo[d][1,3]oxazine","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Sinai, Ádám; Mészáros, Ádám; Gáti, Tamás; Kudar, Veronika; Palló, Anna; Novák, Zoltán","Copper-catalyzed oxidative ring closure and carboarylation of 2-ethynylanilides.","Organic letters","2013","15","22","5654","5657","10.1021/ol402600r","","","1.54187","CuKα","","0.1272","0.0713","","","0.1392","0.159","","","","","","1.052","","","","has coordinates","243593","2020-10-21","18:00:00",""
"1556248","6.0188","0.0002","9.7294","0.0003","17.4629","0.0006","75.17","0.002","88.7","0.002","85.311","0.002","985.24","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","4-(bis(4-fluorophenyl)methylene)-2-tert-butyl -2,4-dihydro-1H-benzo[d][1,3]oxazine","","- C25 H21 F2 N O -","- C25 H21 F2 N O -","- C50 H42 F4 N2 O2 -","2","1","","Sinai, Ádám; Mészáros, Ádám; Gáti, Tamás; Kudar, Veronika; Palló, Anna; Novák, Zoltán","Copper-catalyzed oxidative ring closure and carboarylation of 2-ethynylanilides.","Organic letters","2013","15","22","5654","5657","10.1021/ol402600r","","","1.54187","CuKα","","0.1251","0.0741","","","0.1748","0.2521","","","","","","1.228","","","","has coordinates","243594","2020-10-21","18:00:00",""
"1556249","8.0904","0.0002","27.0158","0.0007","9.5814","0.0002","90","","100.78","0.001","90","","2057.24","0.09","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","227b_f1","","","- C25 H22 Br N O4 -","- C25 H22 Br N O4 -","- C100 H88 Br4 N4 O16 -","4","1","","Rojas-Martín, Jaime; Veguillas, Marcos; Ribagorda, María; Carreño, M Carmen","Synthesis of indole substituted twistenediones from a 2-quinonyl boronic acid.","Organic letters","2013","15","22","5686","5689","10.1021/ol402689b","","","0.71073","","","0.0403","0.03","","","0.1092","0.1257","","","","","","1","","","","has coordinates","243595","2020-10-21","18:00:00",""
"1556250","10.4429","0.0003","11.4676","0.0003","14.1151","0.0004","90","","107.314","0.001","90","","1613.76","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","l206jrm_126b","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Rojas-Martín, Jaime; Veguillas, Marcos; Ribagorda, María; Carreño, M Carmen","Synthesis of indole substituted twistenediones from a 2-quinonyl boronic acid.","Organic letters","2013","15","22","5686","5689","10.1021/ol402689b","","","0.71073","","","0.0691","0.0454","","","0.1195","0.1351","","","","","","1.049","","","","has coordinates","243596","2020-10-21","18:00:00",""
"1556251","8.9195","0.0001","15.2543","0.0001","13.8533","0.0002","90","","122.537","0.002","90","","1589.05","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 O S Si2 -","- C32 H46 O S Si2 -","- C64 H92 O2 S2 Si4 -","2","0.5","","Aeschi, Yves; Li, Hui; Cao, Zhencai; Chen, Songjie; Amacher, Anneliese; Bieri, Nathalie; Özen, Bilal; Hauser, Juerg; Decurtins, Silvio; Tan, Songting; Liu, Shi-Xia","Directed metalation cascade to access highly functionalized thieno[2,3-f]benzofuran and exploration as building blocks for organic electronics.","Organic letters","2013","15","21","5586","5589","10.1021/ol402787d","","","0.71073","MoKα","","0.0925","0.081","","","0.2325","0.2443","","","","","","1.043","","","","has coordinates,has disorder","243597","2020-10-21","18:00:00",""
"1556252","16.8981","0.0004","16.8981","0.0004","11.9461","0.0003","90","","90","","90","","3411.16","0.14","173","2","173.15","","","","","","","","","4","P 43","P 4cw","78","","","","- C19 H17 N5 O2 -","- C19 H17 N5 O2 -","- C152 H136 N40 O16 -","8","2","","Su, Xin; Aprahamian, Ivan","Zinc(II)-regulation of hydrazone switch isomerization kinetics.","Organic letters","2013","15","23","5952","5955","10.1021/ol402789y","","","0.71073","MoKα","","0.1432","0.0613","","","0.11","0.1464","","","","","","0.98","","","","has coordinates","243598","2020-10-21","18:00:00",""
"1556253","10.1618","0.0002","9.79637","0.00018","16.8542","0.0004","90","","103.655","0.002","90","","1630.39","0.06","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H36 F6 Mn N6 O6 S2 -","- C26 H36 F6 Mn N6 O6 S2 -","- C52 H72 F12 Mn2 N12 O12 S4 -","2","1","","Cussó, Olaf; Garcia-Bosch, Isaac; Font, David; Ribas, Xavi; Lloret-Fillol, Julio; Costas, Miquel","Highly stereoselective epoxidation with H2O2 catalyzed by electron-rich aminopyridine manganese catalysts.","Organic letters","2013","15","24","6158","6161","10.1021/ol403018x","","","1.54184","CuKα","","0.0566","0.0519","","","0.142","0.1467","","","","","","1.063","","","","has coordinates,has disorder","243599","2020-10-21","18:00:00",""
"1556259","11.1056","0.0002","11.1056","0.0002","11.3593","0.0002","90","","90","","120","","1213.29","0.04","298","2","298","2","","","","","","","","4","P 31","P 31","144","","","","- C18 H19 N3 O3 -","- C18 H19 N3 O3 -","- C54 H57 N9 O9 -","3","1","","Sammons, Matthew; Jennings, Sandra M.; Herr, Michael; Hulford, Catherine A.; Wei, Liuqing; Hallissey, James F.; Kiser, E. Jason; Wright, Stephen W.; Piotrowski, David W.","Synthesis of a cis 2,5-Disubstituted Morpholine by De-epimerization: Application to the Multigram Scale Synthesis of a Mineralocorticoid Antagonist","Organic Process Research & Development","2013","17","6","934","","10.1021/op400101p","","","1.54178","CuKα","","0.0552","0.0434","","","0.0828","0.0873","","","","","","0.727","","","","has coordinates","243729","2020-10-21","18:00:00",""
"1556325","8.1051","0.0008","11.1155","0.0009","22.6264","0.0006","77.784","0.005","89.987","0.004","71.894","0.003","1888.9","0.3","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C15 H29 Cl2 N3 Pd -","- C15 H29 Cl2 N3 Pd -","- C60 H116 Cl8 N12 Pd4 -","4","2","","Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine","Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes","Catal. Sci. Technol.","2013","3","2","475","","10.1039/C2CY20517C","","","0.71073","MoKα","","0.0182","0.0161","","","0.0393","0.0409","","","","","","1.085","","","","has coordinates","244215","2020-10-21","18:00:00",""
"1556326","8.1752","0.0008","15.2655","0.0006","15.457","0.001","94.321","0.007","90.451","0.005","93.185","0.004","1920.4","0.2","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C15 H28 Cl2 N2 Pd S -","- C15 H28 Cl2 N2 Pd S -","- C60 H112 Cl8 N8 Pd4 S4 -","4","2","","Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine","Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes","Catal. Sci. Technol.","2013","3","2","475","","10.1039/C2CY20517C","","","0.71073","MoKα","","0.0272","0.0225","","","0.0548","0.0585","","","","","","1.057","","","","has coordinates","244215","2020-10-21","18:00:00",""
"1556327","8.1693","0.0008","9.1162","0.001","22.9935","0.0007","93.592","0.003","91.806","0.005","89.939","0.006","1708.2","0.3","180","2","180","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C30 H56 Cl2 N4 O2 Pd -","- C30 H56 Cl2 N4 O2 Pd -","- C60 H112 Cl4 N8 O4 Pd2 -","2","2","","Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine","Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes","Catal. Sci. Technol.","2013","3","2","475","","10.1039/C2CY20517C","","x-ray","0.71073","MoKα","","0.1022","0.0759","","","0.1632","0.182","","","","","","1.016","","","","has coordinates","244215","2020-10-21","18:00:00",""
"1556328","15.7877","0.001","21.0937","0.0013","8.109","0.0005","90","","102.061","0.003","90","","2640.9","0.3","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H45 Cl2 N3 Pd -","- C23 H45 Cl2 N3 Pd -","- C92 H180 Cl8 N12 Pd4 -","4","1","","Peral, Daniel; Gómez-Villarraga, Fernando; Sala, Xavier; Pons, Josefina; Carles Bayón, J.; Ros, Josep; Guerrero, Miguel; Vendier, Laure; Lecante, Pierre; García-Antón, Jordi; Philippot, Karine","Palladium catalytic systems with hybrid pyrazole ligands in C‒C coupling reactions. Nanoparticles versus molecular complexes","Catal. Sci. Technol.","2013","3","2","475","","10.1039/C2CY20517C","","","0.71073","MoKα","","0.0553","0.0311","","","0.0593","0.0682","","","","","","1.074","","","","has coordinates","244215","2020-10-21","18:00:00",""
"1556329","17.8598","0.0014","10.775","0.0008","31.054","0.002","90","","101.73","0.004","90","","5851.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","Compound 2","","","- C66 H64 Cl2 N4 O7.5 V2 -","- C66 H64 Cl2 N4 O7.5 V2 -","- C264 H256 Cl8 N16 O30 V8 -","4","1","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","MoKα","","0.1007","0.0653","","","0.1159","0.1271","","","","","","1.037","","","","has coordinates,has disorder","244216","2020-10-21","18:00:00",""
"1556330","9.6297","0.0003","12.1792","0.0004","16.2276","0.0006","90","","100.851","0.004","90","","1869.18","0.11","140","1","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound L5","","","- C44 H56 N2 O2 -","- C44 H56 N2 O2 -","- C88 H112 N4 O4 -","2","0.5","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","Mo-Kα","","0.1056","0.0498","","","0.0835","0.0958","","","","","","0.926","","","","has coordinates","244216","2020-10-21","18:00:00",""
"1556331","15.4851","0.0003","12.3449","0.0002","33.0323","0.0006","90","","90","","90","","6314.5","0.2","140","1","140","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","Compound 5","","","- C60 H86 Cl4 N2 O6 V2 -","- C60 H86 Cl4 N2 O6 V2 -","- C240 H344 Cl16 N8 O24 V8 -","4","0.5","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71073","Mo-Kα","","0.0867","0.0612","","","0.1045","0.1129","","","","","","1.199","","","","has coordinates,has disorder","244216","2020-10-21","18:00:00",""
"1556332","11.0873","0.0005","17.9157","0.0008","20.6832","0.0014","90","","90","","90","","4108.4","0.4","100","","100","","","","","","","","","6","P 21 n b","P -2bc 2a","33","Compound 13","","","- C42 H52 Cl2 N4 O3 V -","- C42 H52 Cl2 N4 O3 V -","- C168 H208 Cl8 N16 O12 V4 -","4","1","","Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.","Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts","Catal. Sci. Technol.","2013","3","1","152","","10.1039/C2CY20571H","","","0.71075","MoKα","","0.0776","0.0505","","","0.0899","0.0978","","","","","","1.043","","","","has coordinates","244216","2020-10-21","18:00:00",""
"1556333","14.483","0.002","14.483","0.002","58.042","0.012","90","","90","","90","","12175","3","200","2","200","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C54 H84 B Cl2 F4 P6 Rh3 -","- C54 H84 B Cl2 F4 P6 Rh3 -","- C432 H672 B8 Cl16 F32 P48 Rh24 -","8","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0326","0.0251","","","0.0423","0.0432","","","","","","0.876","","","","has coordinates","244217","2020-10-21","18:00:00",""
"1556334","13.136","0.003","13.405","0.003","14.779","0.003","85.58","0.03","68.44","0.03","68.06","0.03","2239.6","1.1","200","2","200","2","","","","","","","","8","P 1","P 1","1","","","","- C85 H86 B Cl4 F4 O6 P6 Rh3 -","- C85 H86 B Cl4 F4 O6 P6 Rh3 -","- C85 H86 B Cl4 F4 O6 P6 Rh3 -","1","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0611","0.053","","","0.1311","0.1332","","","","","","1.017","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556335","14.1975","0.0005","16.3823","0.0004","20.5561","0.0005","90","","90","","90","","4781.1","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 Cl2 P4 Rh2 -","- C44 H72 Cl2 P4 Rh2 -","- C176 H288 Cl8 P16 Rh8 -","4","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0213","0.0184","","","0.0377","0.0381","","","","","","0.908","","","","has coordinates","244217","2020-10-21","18:00:00",""
"1556336","16.493","0.003","23.276","0.005","16.775","0.003","90","","118.1","0.03","90","","5681","2","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C135 H100 Cl6 F3 O3 P6 Rh3 S -","- C135 H100 Cl6 F3 O3 P6 Rh3 S -","- C270 H200 Cl12 F6 O6 P12 Rh6 S2 -","2","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.1018","0.0424","","","0.0617","0.0745","","","","","","0.554","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556337","16.431","0.003","20.348","0.004","21.116","0.004","90","","90","","90","","7060","2","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C54 H84 B Br0.8 Cl1.2 F4 P6 Rh3 -","- C54 H84 B Br0.8 Cl1.2 F4 P6 Rh3 -","- C216 H336 B4 Br3.2 Cl4.8 F16 P24 Rh12 -","4","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0321","0.0229","","","0.042","0.043","","","","","","0.769","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556338","11.2912","0.0006","16.6047","0.0006","11.4464","0.0005","90","","105.766","0.004","90","","2065.32","0.17","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H56 Br2 P4 Rh2 -","- C36 H56 Br2 P4 Rh2 -","- C72 H112 Br4 P8 Rh4 -","2","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0204","0.0198","","","0.0498","0.05","","","","","","1.04","","","","has coordinates","244217","2020-10-21","18:00:00",""
"1556339","12.416","0.003","12.444","0.003","18.186","0.004","95.81","0.03","94.37","0.03","111.98","0.03","2572.3","1.2","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C36 H86 B F4 O2 P6 Rh3 -","- C36 H84 B F4 O2 P6 Rh3 -","- C72 H168 B2 F8 O4 P12 Rh6 -","2","2","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0324","0.0256","","","0.0513","0.052","","","","","","0.971","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556340","9.6676","0.0019","12.005","0.002","12.658","0.003","109.83","0.03","94.19","0.03","90.56","0.03","1377.3","0.6","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H86 B Cl4 F4 P6 Rh3 -","- C37 H86 B Cl4 F4 P6 Rh3 -","- C37 H86 B Cl4 F4 P6 Rh3 -","1","1","","Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef","Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis","Catal. Sci. Technol.","2013","3","2","462","","10.1039/C2CY20591B","","","0.71073","MoKα","","0.0274","0.0236","","","0.0486","0.049","","","","","","0.991","","","","has coordinates,has disorder","244217","2020-10-21","18:00:00",""
"1556341","29.0844","0.001","15.042","0.0005","16.3344","0.0006","90","","108.315","0.002","90","","6784.1","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H30 Cl2 F6 N6 O3 P2 Ru -","- C30.5 H30 Cl2 F6 N6 O3 P2 Ru -","- C244 H240 Cl16 F48 N48 O24 P16 Ru8 -","8","1","","Vaquer, Lydia; Riente, Paola; Sala, Xavier; Jansat, Susanna; Benet-Buchholz, Jordi; Llobet, Antoni; Pericàs, Miquel A.","Molecular ruthenium complexes anchored on magnetic nanoparticles that act as powerful and magnetically recyclable stereospecific epoxidation catalysts","Catal. Sci. Technol.","2013","3","3","706","","10.1039/C2CY20616A","","","0.71073","MoKα","","0.0471","0.0349","","","0.0798","0.0858","","","","","","1.026","","","","has coordinates,has disorder","244218","2020-10-21","18:00:00",""
"1556342","10.9643","0.0007","11.9921","0.0008","15.491","0.0015","110.491","0.005","99.026","0.004","107.666","0.003","1737.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30.5 H30.5 Cl2 F6 N6 O3.25 P2 Ru -","- C30.5 H30.5 Cl2 F6 N6 O3.25 P2 Ru -","- C61 H61 Cl4 F12 N12 O6.5 P4 Ru2 -","2","1","","Vaquer, Lydia; Riente, Paola; Sala, Xavier; Jansat, Susanna; Benet-Buchholz, Jordi; Llobet, Antoni; Pericàs, Miquel A.","Molecular ruthenium complexes anchored on magnetic nanoparticles that act as powerful and magnetically recyclable stereospecific epoxidation catalysts","Catal. Sci. Technol.","2013","3","3","706","","10.1039/C2CY20616A","","","0.71073","MoKα","","0.0622","0.0502","","","0.1284","0.1367","","","","","","1.028","","","","has coordinates,has disorder","244218","2020-10-21","18:00:00",""
"1556343","13.6143","0.0003","13.6143","0.0003","38.6616","0.0008","90","","90","","90","","7165.9","0.3","100","","100","","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C80 H102 Al Cl N4 O6 S2 -","- C80 H102 Al Cl N4 O6 S2 -","- C320 H408 Al4 Cl4 N16 O24 S8 -","4","0.5","","Ternel, Jérémy; Roussel, Pascal; Agbossou-Niedercorn, Francine; Gauvin, Régis M.","Dismantling the salen framework: design of new asymmetric silylcyanation catalysts","Catal. Sci. Technol.","2013","3","3","580","","10.1039/C2CY20818K","","","0.71073","MoKα","","0.1165","0.0828","","0.172","0.0849","0.0751","","","","","","1.0916","","","","has coordinates","244219","2020-10-21","18:00:00",""
"1556371","7.129","0.003","11.454","0.005","19.387","0.009","90","","90","","90","","1583.1","1.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Cl N4 O3 -","- C17 H15 Cl N4 O3 -","- C68 H60 Cl4 N16 O12 -","4","1","","Siddiqui, Zeba N.; Khan, Tabassum","P2O5/SiO2 as an efficient heterogeneous catalyst for the synthesis of heterocyclic alkene derivatives under thermal solvent-free conditions","Catalysis Science & Technology","2013","3","8","2032","","10.1039/c3cy00095h","","","0.71073","MoKα","","0.1887","0.1524","","","0.3606","0.3845","","","","","","1.184","","","","has coordinates","244406","2020-10-21","18:00:00",""
"1556372","10.53","0.003","10.579","0.003","10.773","0.004","109.248","0.002","93.156","0.002","106.287","0.002","1073","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Tetrakis(μ-2-methylbenzoato)bis[(2-methylbenzoic acid)copper(II)]","","- C48 H44 Cu2 O12 -","- C48 H44 Cu2 O12 -","- C48 H44 Cu2 O12 -","1","0.5","","Sunil, Abraham C.; Langner, Ernst H. G.; Marais, Charlene; Bezuidenhoudt, Barend C. B.","Thermo-analytical determination of intermediates in the copper catalysed rearrangement of o-toluic acid to meta-cresol","Catalysis Science & Technology","2013","3","9","2227","","10.1039/c3cy00119a","","","0.71069","MoKα","","","0.0258","","","","0.0653","","","","","","1.048","","","","has coordinates","244407","2020-10-21","18:00:00",""
"1556373","14.2034","0.0007","11.5066","0.0007","14.6836","0.0011","90","","90","","90","","2399.8","0.3","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H24 Br2 Cl2 N4 Ni -","- C19 H24 Br2 Cl2 N4 Ni -","- C76 H96 Br8 Cl8 N16 Ni4 -","4","0.5","","Budhai, Asheena; Omondi, Bernard; Ojwach, Stephen O.; Obuah, Collins; Osei-Twum, Emmanuel Y.; Darkwa, James","Tandem ethylene oligomerisation and Friedel‒Crafts alkylation of toluene catalysed by bis-(3,5-dimethylpyrazol-1-ylmethyl)benzene nickel(ii) complexes and ethylaluminium dichloride","Catalysis Science & Technology","2013","3","12","3130","","10.1039/c3cy00334e","","","0.71073","MoKα","","0.0473","0.0445","","","0.1204","0.1225","","","","","","1.06","","","","has coordinates","244408","2020-10-21","18:00:00",""
"1556374","9.2765","0.0005","10.7428","0.0005","12.1287","0.0006","110.976","0.003","96.346","0.003","113.712","0.003","986.47","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cl2 N4 Ni -","- C18 H22 Cl2 N4 Ni -","- C36 H44 Cl4 N8 Ni2 -","2","1","","Budhai, Asheena; Omondi, Bernard; Ojwach, Stephen O.; Obuah, Collins; Osei-Twum, Emmanuel Y.; Darkwa, James","Tandem ethylene oligomerisation and Friedel‒Crafts alkylation of toluene catalysed by bis-(3,5-dimethylpyrazol-1-ylmethyl)benzene nickel(ii) complexes and ethylaluminium dichloride","Catalysis Science & Technology","2013","3","12","3130","","10.1039/c3cy00334e","","","0.71073","MoKα","","0.0398","0.0329","","","0.0893","0.0928","","","","","","1.047","","","","has coordinates","244408","2020-10-21","18:00:00",""
"1556375","9.3446","0.0018","14.994","0.003","15.681","0.003","75.599","0.01","78.411","0.01","81.522","0.011","2073.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Br2 N4 Ni -","- C18 H22 Br2 N4 Ni -","- C72 H88 Br8 N16 Ni4 -","4","2","","Budhai, Asheena; Omondi, Bernard; Ojwach, Stephen O.; Obuah, Collins; Osei-Twum, Emmanuel Y.; Darkwa, James","Tandem ethylene oligomerisation and Friedel‒Crafts alkylation of toluene catalysed by bis-(3,5-dimethylpyrazol-1-ylmethyl)benzene nickel(ii) complexes and ethylaluminium dichloride","Catalysis Science & Technology","2013","3","12","3130","","10.1039/c3cy00334e","","","0.71073","MoKα","","0.1531","0.0554","","","0.1175","0.1563","","","","","","0.913","","","","has coordinates","244408","2020-10-21","18:00:00",""
"1556376","9.6013","0.0019","16.927","0.003","24.799","0.005","90","","100.77","0.03","90","","3959.4","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Br2 Cl N2 Ni -","- C45 H41 Br2 Cl N2 Ni -","- C180 H164 Br8 Cl4 N8 Ni4 -","4","1","","Jia, Dedong; Zhang, Wenjuan; Liu, Weiliang; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua","Unsymmetrical α-diiminonickel bromide complexes: synthesis, characterization and their catalytic behavior toward ethylene","Catalysis Science & Technology","2013","3","10","2737","","10.1039/c3cy00422h","","","0.71073","MoKα","","","0.0668","","","0.1943","0.2163","","","","","","1.079","","","","has coordinates","244409","2020-10-21","18:00:00",""
"1556377","9.922","0.002","16.84","0.003","24.975","0.005","90","","98.41","0.03","90","","4128.1","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H45 Br2 Cl N2 Ni -","- C47 H44 Br2 Cl N2 Ni -","- C188 H176 Br8 Cl4 N8 Ni4 -","4","1","","Jia, Dedong; Zhang, Wenjuan; Liu, Weiliang; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua","Unsymmetrical α-diiminonickel bromide complexes: synthesis, characterization and their catalytic behavior toward ethylene","Catalysis Science & Technology","2013","3","10","2737","","10.1039/c3cy00422h","","","0.71073","MoKα","","","0.0979","","","0.2363","0.2722","","","","","","1.193","","","","has coordinates","244409","2020-10-21","18:00:00",""
"1556378","9.6343","0.0006","9.6463","0.0007","14.2834","0.0008","76.36","0.006","88.829","0.005","63.062","0.007","1144.29","0.15","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H35 N3 Zn -","- C25 H35 N3 Zn -","- C50 H70 N6 Zn2 -","2","1","","Dai, Zhongran; Zhang, Jinjin; Gao, Yuan; Tang, Ning; Huang, Yong; Wu, Jincai","Synthesis and structures of tridentate β-diketiminato zinc phenoxides as catalysts for immortal ring-opening polymerization of l-lactide","Catalysis Science & Technology","2013","3","12","3268","","10.1039/c3cy00482a","","","0.7107","MoKα","","0.0291","0.0267","","","0.0642","0.0658","","","","","","1.007","","","","has coordinates","244410","2020-10-21","18:00:00",""
"1556379","12.765","0.006","16.025","0.014","13.594","0.01","90","","98.6","0.06","90","","2750","3","99.97","0.15","99.97","0.15","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 N3 O Zn -","- C31 H39 N3 O Zn -","- C124 H156 N12 O4 Zn4 -","4","1","","Dai, Zhongran; Zhang, Jinjin; Gao, Yuan; Tang, Ning; Huang, Yong; Wu, Jincai","Synthesis and structures of tridentate β-diketiminato zinc phenoxides as catalysts for immortal ring-opening polymerization of l-lactide","Catalysis Science & Technology","2013","3","12","3268","","10.1039/c3cy00482a","","","0.7107","MoKα","","0.0544","0.0393","","","0.0875","0.1001","","","","","","1.028","","","","has coordinates","244410","2020-10-21","18:00:00",""
"1556380","10.889","0.0005","14.2911","0.0007","20.7227","0.0009","92.804","0.004","92.129","0.004","92.212","0.004","3216.1","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H47 N3 O Zn -","- C35 H47 N3 O Zn -","- C140 H188 N12 O4 Zn4 -","4","2","","Dai, Zhongran; Zhang, Jinjin; Gao, Yuan; Tang, Ning; Huang, Yong; Wu, Jincai","Synthesis and structures of tridentate β-diketiminato zinc phenoxides as catalysts for immortal ring-opening polymerization of l-lactide","Catalysis Science & Technology","2013","3","12","3268","","10.1039/c3cy00482a","","","0.71073","MoKα","","0.115","0.0655","","","0.0986","0.111","","","","","","1.11","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1556381","3.8864","0.0005","7.7824","0.0009","7.5103","0.0009","90","","98.573","0.002","90","","224.61","0.05","200","2","200","2","","","","","","","","5","P 1 2/m 1","-P 2y","10","","","","- C3 H5 Au Cl4 N2 -","- C3 H5 Au Cl4 N2 -","- C3 H5 Au Cl4 N2 -","1","0.25","","de Almeida, M. Peixoto; Martins, L. M. D. R. S.; Carabineiro, S. A. C.; Lauterbach, T.; Rominger, F.; Hashmi, A. S. K.; Pombeiro, A. J. L.; Figueiredo, J. L.","Homogeneous and heterogenised new gold C-scorpionate complexes as catalysts for cyclohexane oxidation","Catalysis Science & Technology","2013","3","11","3056","","10.1039/c3cy00552f","","","0.71073","MoKα","","0.013","0.013","","","0.0317","0.0317","","","","","","1.187","","","","has coordinates,has disorder","244411","2020-10-21","18:00:00",""
"1556382","5.8113","0.0002","23.7797","0.0008","9.2207","0.0003","90","","95.959","0.002","90","","1267.33","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Ray, Suman; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda","Porous silica nanoparticles with mesoscopic void spaces for the domino intermolecular aerobic oxidative synthesis of novel β,β′-diketoenamines","Catalysis Science & Technology","2013","3","5","1267","","10.1039/c3cy20642d","","","0.71073","MoKα","","0.0509","0.0425","","","0.1251","0.1396","","","","","","0.646","","","","has coordinates","244412","2020-10-21","18:00:00",""
"1556383","20.8644","0.0004","20.8644","0.0004","52.9489","0.0013","90","","90","","120","","19961.8","0.7","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C99 H102 N9 O6 P Zn3 -","- C99 H102 N9 O6 P Zn3 -","- C792 H816 N72 O48 P8 Zn24 -","8","0.666667","","Jacobs, Ivo; van Duin, Adri C. T.; Kleij, Arjan W.; Kuil, Mark; Tooke, Duncan M.; Spek, Anthony L.; Reek, Joost N. H.","Conformational studies of ligand-template assemblies and the consequences for encapsulation of rhodium complexes and hydroformylation catalysis","Catalysis Science & Technology","2013","3","8","1955","","10.1039/c3cy20665c","","","0.71073","MoKα","","0.0746","0.0538","","","0.1105","0.1185","","","","","","1.179","","","","has coordinates","244413","2020-10-21","18:00:00",""
"1556384","12.2117","0.0003","20.6062","0.0004","23.4209","0.0005","90","","90.957","0.002","90","","5892.7","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25.63 H25.25 Cl3.25 Fe N6 O8 -","- C25.625 H25.25 Cl3.25 Fe N6 O8 -","- C205 H202 Cl26 Fe8 N48 O64 -","8","2","","Wong, Emma; Jeck, Jonathan; Grau, Michaela; White, Andrew J. P.; Britovsek, George J. P.","A strong-field pentadentate ligand in iron-based alkane oxidation catalysis and implications for iron(iv) oxo intermediates","Catalysis Science & Technology","2013","3","4","1116","","10.1039/c3cy20823k","","","0.71073","MoKα","","0.1246","0.0863","","","0.2159","0.2354","","","","","","1.037","","","","has coordinates,has disorder","244414","2020-10-21","18:00:00",""
"1556385","12.4043","0.0008","38.877","0.002","12.3737","0.001","90","","117.208","0.008","90","","5306.9","0.7","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H47 Cl4 Fe2 N11 O18 -","- C48 H45 Cl4 Fe2 N11 O18 -","- C192 H180 Cl16 Fe8 N44 O72 -","4","1","","Wong, Emma; Jeck, Jonathan; Grau, Michaela; White, Andrew J. P.; Britovsek, George J. P.","A strong-field pentadentate ligand in iron-based alkane oxidation catalysis and implications for iron(iv) oxo intermediates","Catalysis Science & Technology","2013","3","4","1116","","10.1039/c3cy20823k","","","0.71073","MoKα","","0.1683","0.0795","","","0.1365","0.1703","","","","","","0.979","","","","has coordinates,has disorder","244414","2020-10-21","18:00:00",""
"1556446","6.20008","0.00014","7.0452","0.0002","12.577","0.0003","76.531","0.002","78.842","0.002","84.574","0.002","523.46","0.02","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H22 I6 N2 -","- C8 H22 I6 N2 -","- C8 H22 I6 N2 -","1","0.5","","Van Megen, M.; Reiss, G.J.","I62- Anion Composed of Two Asymmetric Triiodide Moieties: A Competition between Halogen and Hydrogen Bond","Inorganics","2013","1","","3","13","10.3390/inorganics1010003","","","0.71073","MoKα","","0.0355","0.0341","","","0.0885","0.0888","","","","","","1.668","","","","has coordinates","288183","2023-12-08","14:42:53",""
"1556447","17.7754","0.0003","13.2405","0.0002","22.6972","0.0004","90","","96.4561","0.0007","90","","5308.03","0.15","296","1","296","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H46 Cl2 N6 O8 P2 Ru -","- C59 H49 Cl2 N6 O8 P2 Ru -","- C236 H196 Cl8 N24 O32 P8 Ru4 -","4","0.5","","Oyama, D.; Fukuda, A.; Yamanaka, T.; Takase, T.","Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand","Inorganics","2013","1","","32","45","10.3390/inorganics1010032","","","0.71075","MoKα","","","0.0444","","","","0.1292","","","","","","1.05","","","","has coordinates","244946","2020-10-21","18:00:00",""
"1556448","17.1743","0.0004","16.1763","0.0004","21.079","0.0004","90","","97.8336","0.0007","90","","5801.4","0.2","296","1","296","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H48 F12 N6 P4 Ru -","- C64 H48 F12 N6 P4 Ru -","- C256 H192 F48 N24 P16 Ru4 -","4","1","","Oyama, D.; Fukuda, A.; Yamanaka, T.; Takase, T.","Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand","Inorganics","2013","1","","32","45","10.3390/inorganics1010032","","","0.71075","MoKα","","","0.058","","","","0.2164","","","","","","1.126","","","","has coordinates","244947","2020-10-21","18:00:00",""
"1556449","26.4297","0.0005","16.2228","0.0003","19.4965","0.0004","90","","114.998","0.0007","90","","7576.3","0.3","173","1","173","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H35 Cl2 N6 O2 P Ru -","- C41 H30 Cl2 N6 O1.5 P Ru -","- C328 H240 Cl16 N48 O12 P8 Ru8 -","8","1","","Oyama, D.; Fukuda, A.; Yamanaka, T.; Takase, T.","Facile and Selective Synthetic Approach for Ruthenium Complexes Utilizing a Molecular Sieve Effect in the Supporting Ligand","Inorganics","2013","1","","32","45","10.3390/inorganics1010032","","","0.71075","MoKα","","","0.0311","","","","0.0803","","","","","","1.038","","","","has coordinates","244948","2020-10-21","18:00:00",""
"1556450","9.839","0.002","12.426","0.003","19.947","0.005","106.347","0.005","96.476","0.004","98.785","0.004","2281.3","0.9","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H55 I2 N2 Nd O P2 Si2 -","- C42 H55 I2 N2 Nd O P2 Si2 -","- C84 H110 I4 N4 Nd2 O2 P4 Si4 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0505","0.0461","","","0.0898","0.0915","","","","","","1.305","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556451","16.1695","0.0008","19.5199","0.0012","14.1982","0.0008","90","","99.491","0.005","90","","4420","0.4","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 Gd I2 N2 O2 P2 Si2 -","- C39 H55 Gd I2 N2 O2 P2 Si2 -","- C156 H220 Gd4 I8 N8 O8 P8 Si8 -","4","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0951","0.0589","","","0.13","0.1518","","","","","","1.033","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556452","16.142","0.002","19.415","0.003","14.134","0.002","90","","99.341","0.002","90","","4370.8","1.1","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 I2 N2 O2 P2 Si2 Tb -","- C39 H55 I2 N2 O2 P2 Si2 Tb -","- C156 H220 I8 N8 O8 P8 Si8 Tb4 -","4","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0468","0.042","","","0.1101","0.1144","","","","","","1.038","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556453","36.332","0.002","12.8545","0.0004","21.682","0.0013","90","","122.332","0.009","90","","8556.2","1.1","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H94 I4 La2 N4 P4 Si4 -","- C76 H94 I4 La2 N4 P4 Si4 -","- C304 H376 I16 La8 N16 P16 Si16 -","4","0.5","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0771","0.057","","","0.146","0.158","","","","","","1.04","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556454","12.7851","0.0006","15.122","0.0008","17.2635","0.0009","85.091","0.002","76.608","0.002","87.266","0.002","3233.7","0.3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H83 Gd I2 N2 O2 P2 -","- C72 H83 Gd I2 N2 O2 P2 -","- C144 H166 Gd2 I4 N4 O4 P4 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0475","0.0419","","","0.109","0.114","","","","","","1.05","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556455","12.209","0.003","13.057","0.003","17.56","0.005","80.744","0.004","75.234","0.004","77.456","0.004","2625.7","1.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H75 I2 N2 O P2 Yb -","- C47 H51 I2 N2 O P2 Yb -","- C94 H102 I4 N4 O2 P4 Yb2 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.1439","0.1097","","","0.2865","0.3027","","","","","","1.065","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556456","17.2957","0.0011","18.9502","0.0015","21.6886","0.0015","75.525","0.006","74.875","0.006","73.945","0.006","6472.4","0.8","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C157 H161 Dy N6 P6 -","- C157 H161 Dy N6 P6 -","- C314 H322 Dy2 N12 P12 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0461","0.0387","","","0.0896","0.0939","","","","","","1.02","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556457","16.895","0.003","19.82","0.004","21.149","0.004","76.79","0.03","78.76","0.03","83.9","0.03","6748","2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C164 H169 Er N6 P6 -","- C164 H169 Er N6 P6 -","- C328 H338 Er2 N12 P12 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0761","0.0577","","","0.127","0.134","","","","","","1.11","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556458","13.0112","0.0011","15.231","0.0011","17.0292","0.0012","82.761","0.006","74.997","0.007","87.043","0.007","3233.1","0.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H83 I2 La N4 P2 -","- C70 H83 I2 La N4 P2 -","- C140 H166 I4 La2 N8 P4 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.067","0.058","","","0.153","0.164","","","","","","1.04","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556459","26.77","0.002","18.9186","0.0016","22.445","0.002","90","","90","","90","","11367.3","1.6","90","2","90","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C63 H75 Gd I2 N4 P2 -","- C63 H75 Gd I2 N4 P2 -","- C504 H600 Gd8 I16 N32 P16 -","8","0.5","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.0483","0.0314","","","0.0687","0.0758","","","","","","1.04","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556460","14.9196","0.0011","15.179","0.003","21.622","0.002","71.398","0.013","75.826","0.008","77.368","0.01","4446.6","1.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C107 H109 La N4 P4 -","- C100 H101 La N4 P4 -","- C200 H202 La2 N8 P8 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0655","0.0599","","","0.153","0.157","","","","","","1.06","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556461","13.6367","0.0015","21.346","0.002","29.1","0.003","97.388","0.002","92.382","0.002","97.146","0.002","8320.8","1.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H113 Ce N4 P4 -","- C86 H85 Ce N4 P4 -","- C344 H340 Ce4 N16 P16 -","4","2","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","0.71073","MoKα","","0.149","0.122","","","0.274","0.285","","","","","","1.1","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556462","14.8733","0.0002","15.2027","0.0002","21.641","0.0003","71.3195","0.0014","75.5504","0.0012","77.6266","0.0014","4440.51","0.11","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C107 H109 N4 P4 Pr -","- C93 H93 N4 P4 Pr -","- C186 H186 N8 P8 Pr2 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.0708","0.0676","","","0.178","0.182","","","","","","1.05","","","","has coordinates","244949","2020-10-21","18:00:00",""
"1556463","14.735","0.0008","15.2646","0.001","21.6185","0.0013","70.916","0.006","75.272","0.005","77.458","0.005","4396.2","0.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H117 Gd N4 P4 -","- C93 H93 Gd N4 P4 -","- C186 H186 Gd2 N8 P8 -","2","1","","Marshall, G.; Wooles, A.J.; Mills, D.P.; Lewis, W.; Blake, A.J.; Liddle, S.T.","Synthesis and Characterisation of Lanthanide N-Trimethylsilyl and -Mesityl Functionalised Bis(iminophosphorano)methanides and -Methanediides","Inorganics","2013","1","","46","69","10.3390/inorganics1010046","","","1.5418","CuKα","","0.1632","0.1208","","","0.2985","0.3309","","","","","","1.022","","","","has coordinates,has disorder","244949","2020-10-21","18:00:00",""
"1556969","4.882","0.001","10.387","0.002","6.091","0.001","90","","90","","90","","308.87","0.1","","","298","","","","100","","","","the Malpensata pegmatite, Lecco Province, Italy","5","P b n m","-P 2c 2ab","62","Na(Fe,Mn)PO4","","karenwebberite","- Fe0.773 Mn0.228 Na0.8817 O4 P -","- Fe0.67 Mn0.33 Na0.68 O4 P -","- Fe2.68 Mn1.32 Na2.72 O16 P4 -","4","0.5","","Vignola, P.; Hatert, F.; Fransolet, A.-M.; Medenbach, O.; Diella, V.; Ando, S.","Karenwebberite, Na(Fe2+,Mn2+)PO4, a new member of the triphylite group from the Malpensata pegmatite, Lecco Province, Italy","American Mineralogist","2013","98","","762","772","10.2138/am.2013.4085","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1556970","5.1639","","5.1863","","12.9457","","89.209","","89.675","","87.892","","346.433","","","","298","","","","100","","","","","5","I -1","-I 1","2","Fe(AsO4)0.5(SO4)0.5(OH)0.5","","ferric arsenate-sulfate","- As0.5 Fe H0.5 O4.5 S0.5 -","- As0.5 Fe O5 S0.5 -","- As2 Fe4 O20 S2 -","4","","","Paktunc, D.; Majzlan, J.; Palatinus, L.; Dutrizac, J.; Klementova, M.; Poirier, G.","Characterization of ferric arsenate-sulfate compounds: Implications for arsenic control in refractory gold processing residues","American Mineralogist","2013","98","","554","565","10.2138/am.2013.4342","","","","","","","","","","","","","","","","","","","","","has coordinates","246650","2020-10-21","18:00:00",""
"1556971","16.1908","0.0004","16.1908","0.0004","7.4143","0.0002","90","","90","","120","","1683.21","0.07","","","298","","","","100","","","","","7","R 3 m :H","R 3 -2""","160","NaV3(V4Mg2)(Si6O18)(BO3)3(OH)3O","","oxy-vanadium-dravite","- B3 H4 Mg3 Na O30 Si6 V6 -","- B1.293 H3 Mg2.586 Na1.029 O31 Si2.586 V6.189 -","- B3.879 H9 Mg7.758 Na3.087 O93 Si7.758 V18.567 -","3","0.166667","","Bosi, F.; Reznitskii, L.Z.; Sklyarov, E.V.","Oxy-vanadium-dravite, NaV3(V4Mg2)(Si6O18)(BO3)3(OH)3O: Crystal structure and redefinition of the ""vanadium-dravite"" tourmaline","American Mineralogist","2013","98","","501","505","10.2138/am.2013.4243","","","","","","","","","","","","","","","","","","","","","has coordinates","246651","2020-10-21","18:00:00",""
"1556972","15.7018","0.0006","15.7018","0.0006","11.8648","0.0006","90","","90","","90","","2925.2","0.2","","","298","","","","100","","","","","13","P 4/n n c :2","-P 4a 2bc","126","Ca16.74Pb0.11Bi1.08Ce0.07Mn0.47Mg1.88Fe2.02Cu0.1Al7.94Ti0.84Si17.84O78H7.55","","bismuthian vesuvianite","- Al7.94 Bi1.08 Ca16.74 Ce0.07 Cu0.1 Fe2.02 H7.55 Mg1.88 Mn0.47 O78 Pb0.11 Si17.84 Ti0.84 -","- Al8.268 Bi1.08 Ca18.564 Ce0.14 Cu0.2 Fe2.212 Mg2.124 Mn0.94 O78 Pb0.112 Si17.84 Ti0.84 -","- Al16.536 Bi2.16 Ca37.128 Ce0.28 Cu0.4 Fe4.424 Mg4.248 Mn1.88 O156 Pb0.224 Si35.68 Ti1.68 -","2","0.125","","Halenius, U.; Bosi, F.; Gatedal, K.","Crystal structure and chemistry of skarn-associated bismuthian vesuvianite","American Mineralogist","2013","98","","566","573","10.2138/am.2013.4310","","","","","","","","","","","","","","","","","","","","","has coordinates","246652","2020-10-21","18:00:00",""
"1556973","7.5915","0.0001","18.5774","0.0004","15.4919","0.0003","90","","104.668","0.001","90","","2113.62","0.07","","","298","","","","100","","","","","6","C 1 2/c 1","-C 2yc","15","Ca10(Si2O7)2[(SiO4)0.87(H4O4)0.13](OH1.01F0.99)(Cl1.0OH1.0)","","rustumite","- Ca10 Cl F0.99 H2.53 O20.01 Si4.87 -","- Ca10 Cl0.992 F0.94 H2.068 O20.316 Si4.876 -","- Ca40 Cl3.968 F3.76 H8.272 O81.264 Si19.504 -","4","0.5","","Gfeller, F.; Armbruster, T.; Galuskin, E.V.; Galuskina, I.O.; Lazic, B.; Savelyeva, V.B.; Zadov, A.E.; Dzierzanowski, P.; Gazeev, V.M.","Crystal chemistry and hydrogen bonding of rustumite Ca10(Si2O7)2(SiO4)(OH)2Cl2 with variable OH, Cl, F : low-Cl, F-bearing rustumite from Baika Lake area, Russia","American Mineralogist","2013","98","","493","500","10.2138/am.2013.4257","","","","","","","","","","","","","","","","","","","","","has coordinates","246653","2020-10-21","18:00:00",""
"1556974","7.641","0.005","18.559","0.005","15.537","0.005","90","","104.21","0.005","90","","2135.9","1.7","","","298","","","","100","","","","","6","C 1 2/c 1","-C 2yc","15","Ca10(Si2O7)2(SiO4)(OH1.13F0.87)(Cl1.96OH0.04)","","rustumite","- Ca10 Cl1.96 F0.87 H1.17 O19.17 Si5 -","- Ca10 Cl2 F0.88 H1.12 O19.12 Si5 -","- Ca40 Cl8 F3.52 H4.48 O76.48 Si20 -","4","0.5","","Gfeller, F.; Armbruster, T.; Galuskin, E.V.; Galuskina, I.O.; Lazic, B.; Savelyeva, V.B.; Zadov, A.E.; Dzierzanowski, P.; Gazeev, V.M.","Crystal chemistry and hydrogen bonding of rustumite Ca10(Si2O7)2(SiO4)(OH)2Cl2 with variable OH, Cl, F : F-bearing rustumite from Upper Chegem Caldera, Russia","American Mineralogist","2013","98","","493","500","10.2138/am.2013.4257","","","","","","","","","","","","","","","","","","","","","has coordinates","246654","2020-10-21","18:00:00",""
"1556975","7.61428","0.00008","18.5772","0.0002","15.5714","0.0002","90","","104.734","0.001","90","","2130.18","0.04","","","298","","","","100","","","","","6","C 1 2/c 1","-C 2yc","15","Ca10(Si2O7)2(SiO4)(OH1.88F0.12)(Cl1.28OH0.72)","","rustumite","- Ca10 Cl1.28 F0.12 H2.6 O20.6 Si5 -","- Ca10 Cl1.336 H2 O20.664 Si5 -","- Ca40 Cl5.344 H8 O82.656 Si20 -","4","0.5","","Gfeller, F.; Armbruster, T.; Galuskin, E.V.; Galuskina, I.O.; Lazic, B.; Savelyeva, V.B.; Zadov, A.E.; Dzierzanowski, P.; Gazeev, V.M.","Crystal chemistry and hydrogen bonding of rustumite Ca10(Si2O7)2(SiO4)(OH)2Cl2 with variable OH, Cl, F : low Cl rustumite from Rize batholith, Turkey","American Mineralogist","2013","98","","493","500","10.2138/am.2013.4257","","","","","","","","","","","","","","","","","","","","","has coordinates","246655","2020-10-21","18:00:00",""
"1556976","15.9853","0.0012","15.9853","0.0012","7.1538","0.0006","90","","90","","120","","1583.1","0.2","","","298","","","","100","","","","","7","R 3 m :H","R 3 -2""","160","Na(Fe2Al)Al6Si6O18(BO3)3(OH)3O","","oxy-schorl","- Al7 B3 Fe2 H3 Na O31 Si6 -","- Al6.981 B3 F0.31 Fe2.019 H3 Na0.676 O30.69 Si6 -","- Al20.943 B9 F0.93 Fe6.057 H9 Na2.028 O92.07 Si18 -","3","0.166667","","Bacik, P.; Cempirek, J.; Uher, P.; Novak, M.; Ozdin, D.; Filip, J.; Skoda, R.; Breiter, K.; Klementova, M.; Duda, R.; Groat, L.A.","Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic : sample from Pribyslavice","American Mineralogist","2013","98","","485","492","10.2138/am.2013.4293","","","","","","","","","","","","","","","","","","","","","has coordinates","246656","2020-10-21","18:00:00",""
"1556977","15.916","0.003","15.916","0.003","7.1071","0.0012","90","","90","","120","","1559.2","0.5","","","298","","","","100","","","","","7","R 3 m :H","R 3 -2""","160","Na(Fe2Al)Al6Si6O18(BO3)3(OH)3O","","oxy-schorl","- Al7 B3 Fe2 H3 Na O31 Si6 -","- Al8.151 B3 Fe0.603 Na0.859 O31 Si5.394 -","- Al24.453 B9 Fe1.809 Na2.577 O93 Si16.182 -","3","0.166667","","Bacik, P.; Cempirek, J.; Uher, P.; Novak, M.; Ozdin, D.; Filip, J.; Skoda, R.; Breiter, K.; Klementova, M.; Duda, R.; Groat, L.A.","Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic : sample from Zlata Idka","American Mineralogist","2013","98","","485","492","10.2138/am.2013.4293","","","","","","","","","","","","","","","","","","","","","has coordinates","246657","2020-10-21","18:00:00",""
"1556978","16.959","0.002","9.653","0.001","9.217","0.001","90","","90","","90","","1508.9","0.3","","","298","","","","4900000","","","","","8","C c c m","-C 2 2c","66","Na0.07(Mg1.57Fe0.36Mn0.07)(Al3.96Fe0.06Si4.98)O18 0.45H2O","","cordierite at 4.9 GPa","- Al3.96 Fe0.42 H0.9 Mg1.57 Mn0.07 Na0.07 O18.45 Si4.98 -","- Al2 Mg2 Na0.08 O18.72 Si7 -","- Al8 Mg8 Na0.32 O74.88 Si28 -","4","0.25","","Likhacheva, A.Y.; Goryainov, S.V.; Bulbak, T.A.","An X-ray diffraction study of the pressure-induced hydration in cordierite at 4-5 GPa : at 4.9 GPa","American Mineralogist","2013","98","","181","186","10.2138/am.2013.4199","","","","","","","","","","","","","","","","","","","","","has coordinates","246659","2020-10-21","18:00:00",""
"1556979","16.944","0.002","9.656","0.001","9.216","0.001","90","","90","","90","","1507.8","0.3","","","298","","","","4400000","","","","","8","C c c m","-C 2 2c","66","Na0.07(Mg1.57Fe0.36Mn0.07)(Al3.96Fe0.06Si4.98)O18 0.45H2O","","cordierite at 4.4 GPa","- Al3.96 Fe0.42 H0.9 Mg1.57 Mn0.07 Na0.07 O18.45 Si4.98 -","- Al2 Mg2 Na0.08 O18.69 Si7 -","- Al8 Mg8 Na0.32 O74.76 Si28 -","4","0.25","","Likhacheva, A.Y.; Goryainov, S.V.; Bulbak, T.A.","An X-ray diffraction study of the pressure-induced hydration in cordierite at 4-5 GPa : at 4.4 GPa","American Mineralogist","2013","98","","181","186","10.2138/am.2013.4199","","","","","","","","","","","","","","","","","","","","","has coordinates","246660","2020-10-21","18:00:00",""
"1556980","17.104","0.002","9.746","0.001","9.333","0.001","90","","90","","90","","1555.8","0.3","","","298","","","","100","","","","","8","C c c m","-C 2 2c","66","Na0.07(Mg1.57Fe0.36Mn0.07)(Al3.96Fe0.06Si4.98)O18 0.45H2O","","cordierite at 0 GPa","- Al3.96 Fe0.42 H0.9 Mg1.57 Mn0.07 Na0.07 O18.45 Si4.98 -","- Al2 Mg2 Na0.08 O18.45 Si7 -","- Al8 Mg8 Na0.32 O73.8 Si28 -","4","0.25","","Likhacheva, A.Y.; Goryainov, S.V.; Bulbak, T.A.","An X-ray diffraction study of the pressure-induced hydration in cordierite at 4-5 GPa : at 1 bar","American Mineralogist","2013","98","","181","186","10.2138/am.2013.4199","","","","","","","","","","","","","","","","","","","","","has coordinates","246661","2020-10-21","18:00:00",""
"1556990","9.2919","0.0008","16.0991","0.0011","6.4436","0.0003","90","","91.404","0.005","90","","963.62","0.12","","","298","","","","100","","","","Jachymov, Western Bohemia, Czech Republic","4","C 1 c 1","C -2yc","9","Na4(UO2)(CO3)3","","cejkaite","- C3 Na4 O11 U -","- C3 Na4 O11 U -","- C12 Na16 O44 U4 -","4","1","","Plasil, J.; Fejfarova, K.; Dusek, M.; Skoda, R.; Rohlicek, J.","Revision of the symmetry and the crystal structure of cejkaite, Na4(UO2)(CO3)3","American Mineralogist","2013","98","","549","553","10.2138/am.2013.4331","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:03",""
"1556991","5.2386","0.0007","5.2386","0.0007","9.014","0.002","90","","90","","120","","214.23","0.06","","","298","","","","100","","","","","8","P 6/m m m","-P 6 2","191","[K0.52(NH4)0.48]As4O6(Cl0.5Br0.3F0.2)","","lucabindiite","- As4 Br0.3 Cl0.5 F0.2 H1.92 K0.52 N0.48 O6 -","- As4 Br0.3 Cl0.5 F0.2 K0.52 N0.48 O6 -","- As4 Br0.3 Cl0.5 F0.2 K0.52 N0.48 O6 -","1","0.0416667","","Garavelli, A.; Mitolo, D.; Pinto, D.; Vurro, F.","Lucabindiite, (K,NH4)As4O6(Cl,Br), a new fumarole mineral from the ""La Fossa"" crater at Vulcano, Aeolian Islands, Italy","American Mineralogist","2013","98","","470","477","10.2138/am.2013.4194","","","","","","","","","","","","","","","","","","","","","has coordinates","246718","2020-10-21","18:00:00",""
"1556996","18.3","0.0005","14.2331","0.0003","17.9192","0.0005","90","","90","","90","","4667.3","0.2","","","298","","","","100","","","","","5","P b c n","-P 2n 2ab","60","Ca(UO2)2(Si5O12)(OH)2*6H2O","","haiweeite","- Ca H14 O24 Si5 U2 -","- Ca O26 Si5 U2 -","- Ca8 O208 Si40 U16 -","8","1","","Plasil, J.; Fejfarova, K.; Cejka, J.; Dusek, M.; Skoda, R.; Sejkora, J.","Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)2(Si5O12)(OH)2*6H2O","American Mineralogist","2013","98","","718","723","10.2138/am.2013.4284","","","","","","","","","","","","","","","","","","","","","has coordinates","246727","2020-10-21","18:00:00",""
"1556997","5.3235","0.0003","5.3235","0.0003","30.188","0.002","90","","90","","120","","740.9","0.08","","","298","","","","100","","","","","12","P 31 1 2","P 31 2 (0 0 4)","151","(K0.92Na0.04)(Mg2.28Al0.11Fe2+0.20Fe3+0.08Ti0.27Cr0.05Ni0.01)(Si2.89Al1.04Fe3+0.07)O10.65F0.03(OH)1.32","","3T-phlogopite","- Al1.15 Cr0.05 F0.03 Fe0.35 H1.3292 K0.92 Mg2.28 Na0.04 Ni0.01 O11.97 Si2.89 Ti0.27 -","- Fe0.622 K1.022 Mg2.38 O12 Si4.008 -","- Fe1.866 K3.066 Mg7.14 O36 Si12.024 -","3","0.5","","Schingaro, E.; Lacalamita, M.; Scordari, F.; Mesto, E.","3T-phlogopite from Kasenyi kamafugite (SW Uganda): EPMA, XPS, FTIR, and SCXRD study","American Mineralogist","2013","98","","709","717","10.2138/am.2013.4283","","","","","","","","","","","","","","","","","","","","","has coordinates","246730","2020-10-21","18:00:00",""
"1556998","8.133","0.002","12.81","0.01","7.171","0.002","94.1","0.03","116.59","0.03","87.79","0.01","666.4","0.6","","","298","","","","100","","","","","6","C -1","-C 1","2","K0.01Na1.01Ca0.01Al1.00Si2.98O8","","albite","- Al Ca0.01 K0.01 Na1.01 O8 Si2.98 -","- Al Na O8 Si3 -","- Al4 Na4 O32 Si12 -","4","","","Balic-Zunic, T.; Piazolo, S.; Katerinopoulou, A.; Schmith, J.H.","Full analysis of feldspar texture and crystal structure by combining X-ray and electron techniques : albite sample 16","American Mineralogist","2013","98","","41","52","10.2138/am.2013.4124","","","","","","","","","","","","","","","","","","","","","has coordinates","246745","2020-10-21","18:00:00",""
"1556999","8.166","0.002","12.845","0.013","7.188","0.007","94.24","0.06","116.59","0.03","87.715","0.017","672.4","1","","","298","","","","100","","","","","6","C -1","-C 1","2","K0.01Na1.02Fe0.01Al0.99Si2.99O8","","albite","- Al0.99 Fe0.01 K0.01 Na1.02 O8 Si2.99 -","- Al Na O8 Si3 -","- Al4 Na4 O32 Si12 -","4","","","Balic-Zunic, T.; Piazolo, S.; Katerinopoulou, A.; Schmith, J.H.","Full analysis of feldspar texture and crystal structure by combining X-ray and electron techniques : albite sample 45","American Mineralogist","2013","98","","41","52","10.2138/am.2013.4124","","","","","","","","","","","","","","","","","","","","","has coordinates","246746","2020-10-21","18:00:00",""
"1557000","8.598","0.002","12.97","0.003","7.2","0.001","90.029","0.007","116.137","0.005","89.498","0.003","720.8","0.3","","","298","","","","100","","","","","5","C -1","-C 1","2","K0.86Na0.17Al1.00Si2.99O8","","K-feldspar","- Al K0.86 Na0.17 O8 Si2.99 -","- Al K0.864 Na0.136 O8 Si3 -","- Al4 K3.456 Na0.544 O32 Si12 -","4","","","Balic-Zunic, T.; Piazolo, S.; Katerinopoulou, A.; Schmith, J.H.","Full analysis of feldspar texture and crystal structure by combining X-ray and electron techniques : K-feldspar sample 16","American Mineralogist","2013","98","","41","52","10.2138/am.2013.4124","","","","","","","","","","","","","","","","","","","","","has coordinates","246748","2020-10-21","18:00:00",""
"1557001","8.585","0.002","12.979","0.004","7.2282","0.0018","90.512","0.013","115.914","0.007","87.711","0.011","723.8","0.3","","","298","","","","100","","","","","5","C -1","-C 1","2","K1.00Na0.04Al0.99Si3.00O8","","K-feldspar","- Al0.99 K Na0.04 O8 Si3 -","- Al K0.93 Na0.07 O8 Si3 -","- Al4 K3.72 Na0.28 O32 Si12 -","4","","","Balic-Zunic, T.; Piazolo, S.; Katerinopoulou, A.; Schmith, J.H.","Full analysis of feldspar texture and crystal structure by combining X-ray and electron techniques : K-feldspar sample 45","American Mineralogist","2013","98","","41","52","10.2138/am.2013.4124","","","","","","","","","","","","","","","","","","","","","has coordinates","246751","2020-10-21","18:00:00",""
"1557002","3.14291","0.00008","3.14291","0.00008","4.72398","0.00014","90","","90","","120","","40.4113","0.0019","","","20","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 20 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.0002 -","- D1.96002 H0.04008 Mg O2.0002 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 20 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557003","3.14289","0.00008","3.14289","0.00008","4.72413","0.00014","90","","90","","120","","40.412","0.0019","","","30","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 30 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 30 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557004","3.14282","0.00008","3.14282","0.00008","4.7243","0.00014","90","","90","","120","","40.4117","0.0019","","","40","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 40 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 40 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557005","3.14287","0.00008","3.14287","0.00008","4.72506","0.00014","90","","90","","120","","40.4195","0.0019","","","50","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 50 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 50 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557006","3.1431","0.00008","3.1431","0.00008","4.72562","0.00014","90","","90","","120","","40.4302","0.0019","","","60","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 60 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 60 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557007","3.14297","0.00008","3.14297","0.00008","4.7264","0.00015","90","","90","","120","","40.4335","0.0019","","","70","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 70 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 70 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557008","3.14312","0.00008","3.14312","0.00008","4.72688","0.00015","90","","90","","120","","40.4415","0.0019","","","80","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 80 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 80 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557009","3.14311","0.00008","3.14311","0.00008","4.7277","0.00015","90","","90","","120","","40.4482","0.0019","","","90","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 90 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 90 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557010","3.14294","0.00008","3.14294","0.00008","4.72821","0.00015","90","","90","","120","","40.4482","0.0019","","","100","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 100 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 100 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557011","3.14304","0.00008","3.14304","0.00008","4.7298","0.00015","90","","90","","120","","40.4644","0.0019","","","120","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 120 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 120 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557012","3.1433","0.00008","3.1433","0.00008","4.73246","0.00015","90","","90","","120","","40.4939","0.0019","","","150","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 150 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 150 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557013","3.14385","0.00009","3.14385","0.00009","4.73856","0.00017","90","","90","","120","","40.56","0.002","","","200","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 200 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 200 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557014","3.14597","0.0001","3.14597","0.0001","4.75387","0.00019","90","","90","","120","","40.746","0.002","","","295","","","","100","","","","","4","P -3 m 1","-P 3 2""","164","Mg[O(D0.98H0.02)]2","","deuterated brucite at 295 K","- D1.96 H0.04 Mg O2 -","- D1.96002 H0.04008 Mg O2.00012 -","- D1.96002 H0.04008 Mg O2.00012 -","1","0.0833333","","Chakoumakos, B.C.; Horita, J.; Garlea, V.O.","H/D isotope effects in brucite at low temperatures : At 295 K","American Mineralogist","2013","98","","1","6","10.2138/am.2013.4202","","","","","","","","","","","","","","","","","","","","","has coordinates","287973","2023-12-04","09:36:59",""
"1557015","6.9764","0.0004","19.351","0.001","8.387","0.0004","90","","107.519","0.002","90","","1079.73","0.1","","","298","","","","100","","","","","6","P 1 21/c 1","-P 2ybc","14","Ag1.02Pb0.87(Sb1.54Bi1.47)(S5.94As0.06)","","terrywallaceite","- Ag1.02 As0.06 Bi1.47 Pb0.87 S5.94 Sb1.54 -","- Ag Bi1.515 Pb S6 Sb1.53 -","- Ag4 Bi6.06 Pb4 S24 Sb6.12 -","4","1","","Yang, H.; Downs, R.T.; Evans, S.H.; Pinch, W.W.","Terrywallaceite, AgPb(Sb,Bi)3S6, isotypic with gustavite, a new mineral from in a Herminia, Julcani Mining District, Huancavelica, Peru","American Mineralogist","2013","98","","1310","1314","10.2138/am.2013.4423","","","","","","","","","","","","","","","","","","","","","has coordinates","246767","2020-10-21","18:00:00",""
"1557415","14.313","0.001","5.2267","0.0003","9.4878","0.0005","90","","106.815","0.007","90","","679.43","0.08","","","298","","","","100","","","","","6","P 1 21/c 1","-P 2ybc","14","Pb2Cu42+Te26+O10(OH)2(SO4)(H2O)","","bairdite","- Cu4 H4 O17 Pb2 S Te2 -","- Cu4 O17 Pb1.996 S Te2 -","- Cu8 O34 Pb3.992 S2 Te4 -","2","0.5","","Kampf, A.R.; Mills, S.J.; Housley, R.M.; Rossman, G.R.; Marty, J.; Thorne, B.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: X. Bairdite, Pb2Cu42+Te26+O10(OH)2(SO4)(H2O)","American Mineralogist","2013","98","","1315","1321","10.2138/am.2013.4389","","","","","","","","","","","","","","","","","","","","","has coordinates","248572","2020-10-21","18:00:00",""
"1557416","6.9263","0.0004","10.4356","0.0008","13.523","0.001","90","","90","","90","","977.44","0.12","","","298","","","","100","","","","","5","C m c e","-C 2ac 2","64","MnAlPO4(OH)2*H2O","","eosphorite","- Al H4 Mn O7 P -","- Al Fe0.056 H3.994 Mn0.944 O7 P -","- Al8 Fe0.448 H31.952 Mn7.552 O56 P8 -","8","0.5","","Gatta, G.D.; Nenert, G.; Vignola, P.","Coexisting hydroxyl gourd and H2O molecules in minerals: A single-crystal neutron diffraction study of eosphorite, MnAlPO4(OH)2*H2O","American Mineralogist","2013","98","","1297","1301","10.2138/am.2013.4438","","","","","","","","","","","","","","","","","","","","","has coordinates","248573","2020-10-21","18:00:00",""
"1557417","9.842","0.001","9.842","0.001","9.842","0.001","90","","90","","90","","953.34","0.17","","","298","","","","100","","","","","10","I a -3","-I 2b 2c 3","206","Sc,Ti,Al,Zr,Mg,Ca,[])2O3","","kangite","- Al0.16 Ca0.06 Fe0.02 Mg0.11 O3 Sc0.54 Ti0.66 V0.03 Y0.07 Zr0.13 -","- O3 Sc1.2685 -","- O48 Sc20.296 -","16","0.333333","","Ma, C.; Tschauner, O.; Beckett, J.R.; Rossman, G.R.; Liu, W.","Kangite, (Sc,Ti,Al,Zr,Mg,Ca,[])2O3, a new ultra-refractory scandia mineral from the Allende meteorite: Synchrotron micro-Laue diffraction and electron backscatter diffraction","American Mineralogist","2013","98","","870","878","10.2138/am.2013.4290","","","","","","","","","","","","","","","","","","","","","has coordinates","248581","2020-10-21","18:00:00",""
"1557470","7.8412","0.0003","11.0313","0.0005","11.387","0.0004","90","","90","","90","","984.96","0.07","","","298","","","","100","","","","","13","P m n a","-P 2ac 2","53","Y4Al(CO3)2(OH,F)11*6H2O","","Lusernaite-Y","- C2 H22.35 Al1.06 Ca0.05 Dy0.16 Er0.15 F0.65 Gd0.07 O22.35 Pb0.02 Sm0.01 Y3.41 Yb0.09 -","- C2 H8 Al O24 Pb4 Y4 -","- C4 H16 Al2 O48 Pb8 Y8 -","2","0.25","","Biagioni, C.; Bonaccorsi, E.; Camara, F.; Cadoni, M.; Ciriotti, M.E.; Bersani, D.; Kolitsch, U.","Lusernaite-(Y), Y4Al(CO3)2(OH,F)11*6H2O, a new mineral species from Luserna Valley, Piedmont, Italy: Description and crystal structure","American Mineralogist","2013","98","","1322","1329","10.2138/am.4366","","","","","","","","","","","","","","","","","","","","","has coordinates","249063","2020-10-21","18:00:00",""
"1557929","5.3647","0.0009","5.3647","0.0009","5.3647","0.0009","90","","90","","90","","154.4","0.04","","","298","","","","100","","","","","3","P m -3 m","-P 4 2 3","221","(CaU)O4","","vorlanite","- Ca O4 U -","- Ca0.75 O4 U0.75 -","- Ca1.5 O8 U1.5 -","2","0.0416667","","Galuskin, E.V.; Kusz, J.; Armbruster, T.; Galuskina, I.O.; Marzec, K.; Vapnik, Y.; Murashko, M.","Vorlanite, (CaU6+)O4, from Jabel Harmun, Palestinian Autonomy, Israel","American Mineralogist","2013","98","","1938","1942","10.2138/am.2013.4548","","","","","","","","","","","","","","","","","","","","","has coordinates","251197","2020-10-21","18:00:00",""
"1557930","3.5034","0.0007","3.5034","0.0007","3.5034","0.0007","90","","90","","90","","43","0.015","","","298","","","","37800000","","","","","3","P m -3 m","-P 4 2 3","221","SrSiO3","","SrSiO3 cubic perovskite at 37.8 GPa","- O3 Si Sr -","- O3 Si Sr -","- O3 Si Sr -","1","0.0208333","","Xiao, W.; Tan, D.; Zhou, W.; Liu, J.; Xu, J.","Cubic perovskite polymorph of strontium metasilicate at high pressures","American Mineralogist","2013","98","","2096","2104","10.2138/am.2013.4470","","","","","","","","","","","","","","","","","","","","","has coordinates","270524","2021-11-08","17:06:58",""
"1557931","7.2913","0.0005","7.2913","0.0005","17.1744","0.0017","90","","90","","120","","790.72","0.11","","","297","","","","100","","","","","5","R -3 m :H","-R 3 2""","166","KFe(SO4)2(OH)2'","","jarosite at 297 K","- F3 H6 K O14 S2 -","- Fe3 H6 K O14 S2 -","- Fe9 H18 K3 O42 S6 -","3","0.0833333","","Mills, S.J.; Nestola, F.; Kahlenberg, V.; Christy, A.G.; Hejny, C.; Redhammer, G.J.","Looking for jarosite on Mars: The low-temperature crystal structure of jarosite","American Mineralogist","2013","98","","1966","1971","10.2138/am.2013.4587","","","","","","","","","","","","","","","","","","","","","has coordinates","251205","2020-10-21","18:00:00",""
"1557932","7.2931","0.0003","7.2931","0.0003","17.1456","0.001","90","","90","","120","","789.78","0.07","","","253","","","","100","","","","","5","R -3 m :H","-R 3 2""","166","KFe(SO4)2(OH)2'","","jarosite at 253 K","- F3 H6 K O14 S2 -","- Fe3 H6 K O14 S2 -","- Fe9 H18 K3 O42 S6 -","3","0.0833333","","Mills, S.J.; Nestola, F.; Kahlenberg, V.; Christy, A.G.; Hejny, C.; Redhammer, G.J.","Looking for jarosite on Mars: The low-temperature crystal structure of jarosite","American Mineralogist","2013","98","","1966","1971","10.2138/am.2013.4587","","","","","","","","","","","","","","","","","","","","","has coordinates","251206","2020-10-21","18:00:00",""
"1557933","7.2918","0.0003","7.2918","0.0003","17.1235","0.0009","90","","90","","120","","788.48","0.06","","","213","","","","100","","","","","5","R -3 m :H","-R 3 2""","166","KFe(SO4)2(OH)2'","","jarosite at 213 K","- F3 H6 K O14 S2 -","- Fe3 H6 K O14 S2 -","- Fe9 H18 K3 O42 S6 -","3","0.0833333","","Mills, S.J.; Nestola, F.; Kahlenberg, V.; Christy, A.G.; Hejny, C.; Redhammer, G.J.","Looking for jarosite on Mars: The low-temperature crystal structure of jarosite","American Mineralogist","2013","98","","1966","1971","10.2138/am.2013.4587","","","","","","","","","","","","","","","","","","","","","has coordinates","251207","2020-10-21","18:00:00",""
"1557934","7.2918","0.0003","7.2918","0.0003","17.1026","0.001","90","","90","","120","","787.52","0.06","","","173","","","","100","","","","","5","R -3 m :H","-R 3 2""","166","KFe(SO4)2(OH)2'","","jarosite at 173 K","- F3 H6 K O14 S2 -","- Fe3 H6 K O14 S2 -","- Fe9 H18 K3 O42 S6 -","3","0.0833333","","Mills, S.J.; Nestola, F.; Kahlenberg, V.; Christy, A.G.; Hejny, C.; Redhammer, G.J.","Looking for jarosite on Mars: The low-temperature crystal structure of jarosite","American Mineralogist","2013","98","","1966","1971","10.2138/am.2013.4587","","","","","","","","","","","","","","","","","","","","","has coordinates","251208","2020-10-21","18:00:00",""
"1557935","7.2907","0.0003","7.2907","0.0003","17.09","0.0008","90","","90","","120","","786.7","0.06","","","133","","","","100","","","","","5","R -3 m :H","-R 3 2""","166","KFe(SO4)2(OH)2'","","jarosite at 133 K","- F3 H6 K O14 S2 -","- Fe3 H6 K O14 S2 -","- Fe9 H18 K3 O42 S6 -","3","0.0833333","","Mills, S.J.; Nestola, F.; Kahlenberg, V.; Christy, A.G.; Hejny, C.; Redhammer, G.J.","Looking for jarosite on Mars: The low-temperature crystal structure of jarosite","American Mineralogist","2013","98","","1966","1971","10.2138/am.2013.4587","","","","","","","","","","","","","","","","","","","","","has coordinates","251209","2020-10-21","18:00:00",""
"1557936","13.2357","0.0005","13.2357","0.0005","15.0652","0.0006","90","","90","","120","","2285.6","0.15","","","298","","","","100","","","","","7","P 63/m m c","-P 6c 2c","194","(Na5.38K1.99Mg0.24)[Al7.66Si28.34O72.09]29.83H2O","","erionite-Na","- Al7.66 H59.66 K1.99 Mg0.24 Na5.38 O101.92 Si28.34 -","- Al7.56 K2 Mg0.448 Na4.984 O103.146 Si28.44 -","- Al7.56 K2 Mg0.448 Na4.984 O103.146 Si28.44 -","1","0.0416667","","Cametti, G.; Pacella, A.; Mura, F.; Rossi, M.; Ballirano, P.","New morphological, chemical, and structural data of wooly erionite-Na from Durkee, Oregon, U.S.A.","American Mineralogist","2013","98","","2155","2163","10.2138/am.2013.4474","","","","","","","","","","","","","","","","","","","","","has coordinates","251210","2020-10-21","18:00:00",""
"1557939","10.0214","0.0001","10.5997","0.0001","9.8327","0.0001","90","","92.363","0.001","90","","1043.58","0.018","","","298","","","","100","","","","","5","P 1 21/c 1","-P 2ybc","14","Ca4(Al8Si8O32)18H2O","","gismondine","- Al8 Ca4 H36 O50 Si8 -","- Al8 Ca4 H24 O50 Si8 -","- Al8 Ca4 H24 O50 Si8 -","1","0.25","","Wadoski-Romeijn, E.; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure","American Mineralogist","2013","98","","1988","1997","10.2138/am.2013.4495","","","","","","","","","","","","","","","","","","","","","has coordinates","251244","2020-10-21","18:00:00",""
"1557940","9.79","0.002","10.437","0.002","9.79","0.002","90","","90.97","0.03","90","","1000.2","0.3","","","348","","","","100","","","","","5","I 1 2/a 1","-I 2ya","15","Ca4(Al8Si8O32)18H2O","","gismondine at 75 C","- Al8 Ca4 H36 O50 Si8 -","- Al8 Ca3.52 O48.36 Si8 -","- Al8 Ca3.52 O48.36 Si8 -","1","0.125","","Wadoski-Romeijn, E.; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure","American Mineralogist","2013","98","","1988","1997","10.2138/am.2013.4495","","","","","","","","","","","","","","","","","","","","","has coordinates","251245","2020-10-21","18:00:00",""
"1557941","9.434","0.004","9.044","0.002","9.695","0.002","90","","89.04","0.01","90","","827.1","0.4","","","498","","","","100","","","","","5","I 1 2/a 1","-I 2ya","15","Ca4(Al8Si8O32)18H2O","","gismondine C2/c at 225 C","- Al8 Ca4 H36 O50 Si8 -","- Al8 Ca3.784 O36 Si8 -","- Al8 Ca3.784 O36 Si8 -","1","0.125","","Wadoski-Romeijn, E.; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure","American Mineralogist","2013","98","","1988","1997","10.2138/am.2013.4495","","","","","","","","","","","","","","","","","","","","","has coordinates","251246","2020-10-21","18:00:00",""
"1557942","8.152","0.005","12.917","0.005","7.126","0.004","93.26","0.03","116.37","0.06","88.72","0.05","671.2","0.7","","","623","","","","100","","","","","4","C -1","-C 1","2","CaAl2Si2O8","","Ca feldspar at 350 C","- Al2 Ca O8 Si2 -","- Al8 Ca4 O32 Si8 -","- Al8 Ca4 O32 Si8 -","1","","","Wadoski-Romeijn, E.; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure","American Mineralogist","2013","98","","1988","1997","10.2138/am.2013.4495","","","","","","","","","","","","","","","","","","","","","has coordinates","251247","2020-10-21","18:00:00",""
"1557945","12.773","0.0007","12.773","0.0007","23.566","0.001","90","","90","","120","","3329.7","0.3","","","731","","","","100","","","","","7","R -3 m :H","-R 3 2""","166","(Ca7.8Na2.2K1.1)(Al20Si34.2O108)51.5H2O","","levyne SR data at 458 C","- Al20 Ca7.8 H103 K1.1 Na2.2 O159.5 Si34.2 -","- Ca8.31 K0.48 O115.2 Si54 -","- Ca8.31 K0.48 O115.2 Si54 -","1","0.0277778","","Arletti, R.; Vezzalini, G.; Quartieri, S.; Camara, F.; Alvaro, M.","A new framework topology in the dehydrated form of zeolite levyne","American Mineralogist","2013","98","","2063","2074","10.2138/am.2013.4583","","","","","","","","","","","","","","","","","","","","","has coordinates","251263","2020-10-21","18:00:00",""
"1557946","13.2213","0.0003","13.2213","0.0003","23.186","0.0009","90","","90","","120","","3509.98","0.18","","","539","","","","100","","","","","7","R -3 m :H","-R 3 2""","166","(Ca7.8Na2.2K1.1)(Al20Si34.2O108)51.5H2O","","levyne SR data at 266 C","- Al20 Ca7.8 H103 K1.1 Na2.2 O159.5 Si34.2 -","- Ca7.65 K0.84 O146.34 Si54 -","- Ca7.65 K0.84 O146.34 Si54 -","1","0.0277778","","Arletti, R.; Vezzalini, G.; Quartieri, S.; Camara, F.; Alvaro, M.","A new framework topology in the dehydrated form of zeolite levyne","American Mineralogist","2013","98","","2063","2074","10.2138/am.2013.4583","","","","","","","","","","","","","","","","","","","","","has coordinates","251264","2020-10-21","18:00:00",""
"1557947","13.369","0.0008","13.369","0.0008","22.76","0.003","90","","90","","120","","3522.9","0.6","","","373","","","","100","","","","","7","R -3 m :H","-R 3 2""","166","(Ca7.8Na2.2K1.1)(Al20Si34.2O108)51.5H2O","","levyne single crystal data at 100 C","- Al20 Ca7.8 H103 K1.1 Na2.2 O159.5 Si34.2 -","- Al19.98 Ca6 K2.64 Na3 O147.6 Si34.02 -","- Al19.98 Ca6 K2.64 Na3 O147.6 Si34.02 -","1","0.0277778","","Arletti, R.; Vezzalini, G.; Quartieri, S.; Camara, F.; Alvaro, M.","A new framework topology in the dehydrated form of zeolite levyne","American Mineralogist","2013","98","","2063","2074","10.2138/am.2013.4583","","","","","","","","","","","","","","","","","","","","","has coordinates","251265","2020-10-21","18:00:00",""
"1557948","13.421","0.003","13.421","0.003","22.762","0.012","90","","90","","120","","3551","2","","","298","","","","100","","","","","7","R -3 m :H","-R 3 2""","166","(Ca7.8Na2.2K1.1)(Al20Si34.2O108)51.5H2O","","levyne single crystal data","- Al20 Ca7.8 H103 K1.1 Na2.2 O159.5 Si34.2 -","- Al19.98 Ca6.36 K1.92 Na2.01 O171.9 Si34.02 -","- Al19.98 Ca6.36 K1.92 Na2.01 O171.9 Si34.02 -","1","0.0277778","","Arletti, R.; Vezzalini, G.; Quartieri, S.; Camara, F.; Alvaro, M.","A new framework topology in the dehydrated form of zeolite levyne","American Mineralogist","2013","98","","2063","2074","10.2138/am.2013.4583","","","","","","","","","","","","","","","","","","","","","has coordinates","251266","2020-10-21","18:00:00",""
"1557949","12.8585","0.0007","12.8585","0.0007","23.419","0.003","90","","90","","120","","3353.4","0.5","","","298","","","","100","","","","","7","R -3 m :H","-R 3 2""","166","(Ca7.8Na2.2K1.1)(Al20Si34.2O108)51.5H2O","","levyne single crystal data (dehydrated)","- Al20 Ca7.8 H103 K1.1 Na2.2 O159.5 Si34.2 -","- Ca12.33 O122.274 Si51.084 -","- Ca12.33 O122.274 Si51.084 -","1","0.0277778","","Arletti, R.; Vezzalini, G.; Quartieri, S.; Camara, F.; Alvaro, M.","A new framework topology in the dehydrated form of zeolite levyne","American Mineralogist","2013","98","","2063","2074","10.2138/am.2013.4583","","","","","","","","","","","","","","","","","","","","","has coordinates","251267","2020-10-21","18:00:00",""
"1557950","13.3769","0.0004","13.3769","0.0004","22.869","0.001","90","","90","","120","","3544","0.2","","","298","","","","100","","","","","7","R -3 m :H","-R 3 2""","166","(Ca7.8Na2.2K1.1)(Al20Si34.2O108)51.5H2O","","levyne SR data","- Al20 Ca7.8 H103 K1.1 Na2.2 O159.5 Si34.2 -","- Al14.58 Ca6.3 K2.22 Na0.48 O166.68 Si34.02 -","- Al14.58 Ca6.3 K2.22 Na0.48 O166.68 Si34.02 -","1","0.0277778","","Arletti, R.; Vezzalini, G.; Quartieri, S.; Camara, F.; Alvaro, M.","A new framework topology in the dehydrated form of zeolite levyne","American Mineralogist","2013","98","","2063","2074","10.2138/am.2013.4583","","","","","","","","","","","","","","","","","","","","","has coordinates","251268","2020-10-21","18:00:00",""
"1557962","10.341","0.0005","10.96","0.0005","11.1446","0.0005","86.985","0.002","65.727","0.002","75.064","0.002","1110.49","0.09","","","298","","","","100","","","","","5","P -1","-P 1","2","Al3(PO4)(SO4)2(OH)2(H2O)10*4H2O","","rossiantonite","- Al3 H22 O24 P S2 -","- Al3 H29 O28 P S2 -","- Al6 H58 O56 P2 S4 -","2","1","","Galli, E.; Brigatti, M.F.; Malferrari, D.; Sauro, F.; De Waele, J.","Rossiantonite, Al3(PO4)(SO4)2(OH)2(H2O)10*4H2O, a new hydrated aluminum phosphate-sulfate mineral from Chimanta massif, Venezuela: Description and crystal structure","American Mineralogist","2013","98","","1906","1913","10.2138/am.2013.4393","","","","","","","","","","","","","","","","","","","","","has coordinates","251310","2020-10-21","18:00:00",""
"1557963","9.5393","0.0001","9.5393","0.0001","9.5393","0.0001","90","","90","","90","","868.06","0.016","","","298","","","","100","","","","","3","I a -3","-I 2b 2c 3","206","Cu3TeO6","","mcalpineite","- Cu3 O6 Te -","- Cu3 O6 Te -","- Cu24 O48 Te8 -","8","0.166667","","Carbone, C.; Basso, R.; Cabella, R.; Martinelli, A.; Grice, J.D.; Lucchetti, G.","Mcalpineite from the Gambatesa mine, Italy, and redefinition of the species","American Mineralogist","2013","98","","1899","1905","10.2138/am.2013.4525","","","","","","","","","","","","","","","","","","","","","has coordinates","251311","2020-10-21","18:00:00",""
"1557964","10.653","0.0004","18.4781","0.0013","5.05845","0.00015","90","","90","","90","","995.74","0.08","","","298","","","","100","","","","","8","P n m a","-P 2ac 2n","62","(Mn0.99Ca0.02)(Zn1.82Fe0.12Mg0.07)(PO4)2(H1.96O)4","","nizamoffite","- Ca0.02 Fe0.12 H7.84 Mg0.07 Mn0.99 O12 P2 Zn1.82 -","- Al0.008 Ca0.004 Fe0.114 H8 Mg0.063 Mn0.973 O12 P2 Zn1.796 -","- Al0.032 Ca0.016 Fe0.456 H32 Mg0.252 Mn3.892 O48 P8 Zn7.184 -","4","0.5","","Kampf, A.R.; Falster, A.U.; Simmons, W.B.; Whitmore, R.W.","Nizamoffite, Mn2+Zn2(PO4)2(H2O)4, the Mn analogue of hopeite from the Palermo No. 1 pegmatite, North Groton, New Hampshire","American Mineralogist","2013","98","","1893","1898","10.2138/am.2013.4491","","","","","","","","","","","","","","","","","","","","","has coordinates","251330","2020-10-21","18:00:00",""
"1557974","6.559","0.0012","6.6277","0.0014","14.441","0.003","87.456","0.015","79.682","0.015","65.847","0.013","563.3","0.2","","","298","","","","100","","","","Synthetic","5","P -1","-P 1","2","Na2Mg(SO4)2*16H2O","","Na2Mg(SO4)2*16H2O","- H32 Mg Na2 O24 S2 -","- H32 Mg Na2 O24 S2 -","- H32 Mg Na2 O24 S2 -","1","0.5","","Leftwich, K.; Bish, D. L.; Chen, C. H.","Crystal structure and hydration/dehydration behavior of Na2Mg(SO4)2*16H2O: A new hydrate phase observed under Mars-relevant conditions","American Mineralogist","2013","98","","1772","1778","10.2138/am.2013.4509","","","","","","","","","","","","","","","","","","","","","has coordinates","287705","2023-11-21","13:49:33",""
"1557977","15.809","0.002","15.809","0.002","7.089","0.001","90","","90","","120","","1534.3","0.3","","","298","","","","100","","","","","9","R 3 m :H","R 3 -2""","160","(Na0.58Ca0.01)(Li1.05Al1.95)Al6(BO3)3(Si6O18)(OH)3(O0.66F0.34)","","darrellhenryite","- Al7.95 B3 Ca0.01 F0.34 H3 Li1.05 Na0.58 O30.66 Si6 -","- Al7.953 B3 F0.34 H3 Li1.047 Na0.56 O30.66 Si6 -","- Al23.859 B9 F1.02 H9 Li3.141 Na1.68 O91.98 Si18 -","3","0.166667","","Novak, M.; Ertl, A.; Povondra, P.; Galiova, M.V.; Rossman, G.R.; Pristacz, H.; Prem, M.; Giester, G.; Gadas, P.; Skoda, R.","Darrellhenryite, Na(LiAl2)Al6(BO3)3Si6O18(OH)3O, a new mineral from the tourmaline supergroup","American Mineralogist","2013","98","","1886","1892","10.2138/am.2013.4416","","","","","","","","","","","","","","","","","","","","","has coordinates","251349","2020-10-21","18:00:00",""
"1557978","13.9696","0.0003","5.09285","0.00007","8.70686","0.00014","90","","90","","90","","619.45","0.019","","","10","","","","100","","","","","4","P n n 2","P 2 -2n","34","Mg10Si3O18D4","","superhydrous phase B at 10 K","- D4 Mg10 O18 Si3 -","- D2.78 Mg10 O18 Si3 -","- D5.56 Mg20 O36 Si6 -","2","0.5","","Trots, D.M.; Kurnosov, A.; Manthilake, M.A.G.M.; Ovsyannikov, S.V.; Akselrun, L.G.; Hansen, T.; Smyth, J.R.; Frost, D.J.","The determination of hydrogen positions in superhydrous phase B","American Mineralogist","2013","98","","1688","1692","10.2138/am.2013.4475","","","","","","","","","","","","","","","","","","","","","has coordinates","251354","2020-10-21","18:00:00",""
"1557979","13.9882","0.0003","5.10006","0.00007","8.71628","0.00013","90","","90","","90","","621.825","0.018","","","300","","","","100","","","","","4","P n n 2","P 2 -2n","34","Mg10Si3O18D4","","superhydrous phase B at 300 K","- D4 Mg10 O18 Si3 -","- D2.8 Mg10 O18 Si3 -","- D5.6 Mg20 O36 Si6 -","2","0.5","","Trots, D.M.; Kurnosov, A.; Manthilake, M.A.G.M.; Ovsyannikov, S.V.; Akselrun, L.G.; Hansen, T.; Smyth, J.R.; Frost, D.J.","The determination of hydrogen positions in superhydrous phase B","American Mineralogist","2013","98","","1688","1692","10.2138/am.2013.4475","","","","","","","","","","","","","","","","","","","","","has coordinates","251355","2020-10-21","18:00:00",""
"1562497","6.4887","0.0003","7.0621","0.0003","10.7576","0.0004","84.831","0.003","73.025","0.002","86.553","0.002","469.26","0.03","298","0.2","298","0.2","","","","","","","","4","P -1","-P 1","2","","","","- Mo O12 Se3 Y2 -","- Mo O12 Se3 Y2 -","- Mo2 O24 Se6 Y4 -","2","1","","Bang, Seong-eun; Pan, Zhi; Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min","Y2MoSe3O12 and Y2MoTe3O12: Solid-state synthesis, structure determination, and characterization of two new quaternary mixed metal oxides containing asymmetric coordination environment","Journal of Solid State Chemistry","2013","208","","65","70","10.1016/j.jssc.2013.10.002","","","0.71073","MoKα","","0.0485","0.0305","","","0.045","0.0479","","","","","","0.894","","","","has coordinates","265099","2021-05-11","09:31:31",""
"1562498","17.457","0.0018","11.0971","0.0013","5.184","0.0006","90","","90","","90","","1004.3","0.2","298","0.2","298","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Mo O12 Te3 Y2 -","- Mo O12 Te3 Y2 -","- Mo4 O48 Te12 Y8 -","4","0.5","","Bang, Seong-eun; Pan, Zhi; Kim, Yeong Hun; Lee, Dong Woo; Ok, Kang Min","Y2MoSe3O12 and Y2MoTe3O12: Solid-state synthesis, structure determination, and characterization of two new quaternary mixed metal oxides containing asymmetric coordination environment","Journal of Solid State Chemistry","2013","208","","65","70","10.1016/j.jssc.2013.10.002","","","0.71073","MoKα","","0.0653","0.0362","","","0.0695","0.0763","","","","","","0.927","","","","has coordinates","265099","2021-05-11","09:31:34",""
"1562499","10.1276","0.0005","10.1276","0.0005","6.2864","0.0003","90","","90","","120","","558.4","0.05","173","2","173","2","","","","","","","","4","P 63","P 6c","173","lanthanum iron indium sulphide (3/1/1/7)","lanthanum iron indium sulphide (3/1/1/7)","","- Fe In La3 S7 -","- Fe In La3 S7 -","- Fe2 In2 La6 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Mar, Arthur","Rare-earth transition-metal indium sulphides RE3FeInS7 (RE=La‒Pr), RE3CoInS7 (RE=La, Ce), and La3NiInS7","Journal of Solid State Chemistry","2013","208","","78","85","10.1016/j.jssc.2013.09.035","","","0.71073","MoKα","","0.0172","0.016","","","0.0348","0.0352","","","","","","1.05","","","","has coordinates","265101","2021-05-11","09:37:15",""
"1562500","10.028","0.0008","10.028","0.0008","6.272","0.0005","90","","90","","120","","546.22","0.08","173","2","173","2","","","","","","","","4","P 63","P 6c","173","cerium iron indium sulphide (3/1/1/7)","cerium iron indium sulphide (3/1/1/7)","","- Ce3 Fe In S7 -","- Ce3 Fe In S7 -","- Ce6 Fe2 In2 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Mar, Arthur","Rare-earth transition-metal indium sulphides RE3FeInS7 (RE=La‒Pr), RE3CoInS7 (RE=La, Ce), and La3NiInS7","Journal of Solid State Chemistry","2013","208","","78","85","10.1016/j.jssc.2013.09.035","","","0.71073","MoKα","","0.0149","0.0143","","","0.0333","0.0334","","","","","","1.108","","","","has coordinates","265101","2021-05-11","09:37:22",""
"1562501","9.951","0.0005","9.951","0.0005","6.2593","0.0003","90","","90","","120","","536.77","0.05","173","2","173","2","","","","","","","","4","P 63","P 6c","173","praseodymium iron indium sulphide (3/1/1/7)","praseodymium iron indium sulphide (3/1/1/7)","","- Fe In Pr3 S7 -","- Fe In Pr3 S7 -","- Fe2 In2 Pr6 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Mar, Arthur","Rare-earth transition-metal indium sulphides RE3FeInS7 (RE=La‒Pr), RE3CoInS7 (RE=La, Ce), and La3NiInS7","Journal of Solid State Chemistry","2013","208","","78","85","10.1016/j.jssc.2013.09.035","","","0.71073","MoKα","","0.0178","0.0159","","","0.0345","0.0351","","","","","","1.071","","","","has coordinates","265101","2021-05-11","09:37:24",""
"1562502","10.1307","0.0006","10.1307","0.0006","6.2762","0.0004","90","","90","","120","","557.84","0.06","173","2","173","2","","","","","","","","4","P 63","P 6c","173","lanthanum cobalt indium sulphide (3/1/1/7)","lanthanum cobalt indium sulphide (3/1/1/7)","","- Co In La3 S7 -","- Co In La3 S7 -","- Co2 In2 La6 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Mar, Arthur","Rare-earth transition-metal indium sulphides RE3FeInS7 (RE=La‒Pr), RE3CoInS7 (RE=La, Ce), and La3NiInS7","Journal of Solid State Chemistry","2013","208","","78","85","10.1016/j.jssc.2013.09.035","","","0.71073","MoKα","","0.0183","0.0171","","","0.033","0.0334","","","","","","1.07","","","","has coordinates","265101","2021-05-11","09:37:28",""
"1562503","10.147","0.0012","10.147","0.0012","6.2827","0.0007","90","","90","","120","","560.21","0.11","173","2","173","2","","","","","","","","4","P 63","P 6c","173","lanthanum nickel indium sulphide (3/1/1/7)","lanthanum nickel indium sulphide (3/1/1/7)","","- In La3 Ni S7 -","- In La3 Ni S7 -","- In2 La6 Ni2 S14 -","2","0.333333","","Rudyk, Brent W.; Stoyko, Stanislav S.; Mar, Arthur","Rare-earth transition-metal indium sulphides RE3FeInS7 (RE=La‒Pr), RE3CoInS7 (RE=La, Ce), and La3NiInS7","Journal of Solid State Chemistry","2013","208","","78","85","10.1016/j.jssc.2013.09.035","","","0.71073","MoKα","","0.0154","0.0151","","","0.0353","0.0354","","","","","","1.084","","","","has coordinates","265101","2021-05-11","09:37:29",""
"1562504","6.9459","0.0009","8.836","0.0012","11.0226","0.0016","85.958","0.009","87.853","0.009","79.441","0.008","663.18","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H16 B Ge2 In N2 O10 -","- C3 H14 B Ge2 In N2 O10 -","- C6 H28 B2 Ge4 In2 N4 O20 -","2","1","","Wang, Chih-Min; Chiu, Cheng-Wei; Lin, Hsiu-Mei; Lii, Kwang-Hwa","Synthesis, characterization, and properties of the first indium borogermanate incorporating an organic amine ligand: InBGe2O6(OH)2(CH3CH(NH2)CH2NH2)·2H2O","Journal of Solid State Chemistry","2013","208","","116","119","10.1016/j.jssc.2013.09.021","","","0.71073","MoKα","","0.0444","0.0362","","","0.1039","0.1083","","","","","","1.056","","","","has coordinates","265102","2021-05-11","09:42:56",""
"1562506","5.304","0.0011","24.519","0.005","14.573","0.003","90","","90","","90","","1895.2","0.7","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au10.06 Ga6.94 Na8 -","- Au10.07 Ga6.93 Na8 -","- Au40.28 Ga27.72 Na32 -","4","0.25","","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","Na8Au9.8(4)Ga7.2 and Na17Au5.87(2)Ga46.63: The diversity of pseudo 5-fold symmetries in the Na‒Au‒Ga system","Journal of Solid State Chemistry","2013","207","","21","28","10.1016/j.jssc.2013.08.017","","","0.71073","MoKα","","0.0431","0.0295","","","0.0554","0.0586","","","","","","1.059","","","","has coordinates","265131","2021-05-12","07:38:42",""
"1562507","16.325","0.002","16.325","0.002","35.242","0.007","90","","90","","120","","8134","2","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Au5.87 Ga46.63 Na17 -","- Au5.867 Ga46.633 Na17 -","- Au35.202 Ga279.798 Na102 -","6","0.166667","","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","Na8Au9.8(4)Ga7.2 and Na17Au5.87(2)Ga46.63: The diversity of pseudo 5-fold symmetries in the Na‒Au‒Ga system","Journal of Solid State Chemistry","2013","207","","21","28","10.1016/j.jssc.2013.08.017","","","0.71073","MoKα","","0.0689","0.0407","","","0.0869","0.0964","","","","","","1.032","","","","has coordinates","265131","2021-05-12","07:38:52",""
"1562508","5.315","0.0011","24.539","0.005","14.546","0.003","90","","90","","90","","1897.2","0.7","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au10.2 Ga6.8 Na8 -","- Au10.224 Ga6.776 Na8 -","- Au40.896 Ga27.104 Na32 -","4","0.25","","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","Na8Au9.8(4)Ga7.2 and Na17Au5.87(2)Ga46.63: The diversity of pseudo 5-fold symmetries in the Na‒Au‒Ga system","Journal of Solid State Chemistry","2013","207","","21","28","10.1016/j.jssc.2013.08.017","","","0.71073","MoKα","","0.126","0.0781","","","0.1398","0.1528","","","","","","1.178","","","","has coordinates","265131","2021-05-12","07:38:56",""
"1562509","5.308","0.0011","24.505","0.005","14.561","0.003","90","","90","","90","","1894","0.7","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au9.43 Ga7.57 Na8 -","- Au9.436 Ga7.564 Na8 -","- Au37.744 Ga30.256 Na32 -","4","0.25","","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","Na8Au9.8(4)Ga7.2 and Na17Au5.87(2)Ga46.63: The diversity of pseudo 5-fold symmetries in the Na‒Au‒Ga system","Journal of Solid State Chemistry","2013","207","","21","28","10.1016/j.jssc.2013.08.017","","","0.71073","MoKα","","0.1232","0.0716","","","0.1358","0.154","","","","","","1.024","","","","has coordinates","265131","2021-05-12","07:39:07",""
"1562510","5.3096","0.0011","24.455","0.005","14.545","0.003","90","","90","","90","","1888.6","0.7","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au9.77 Ga7.23 Na8 -","- Au9.774 Ga7.226 Na8 -","- Au39.096 Ga28.904 Na32 -","4","0.25","","Smetana, Volodymyr; Corbett, John D.; Miller, Gordon J.","Na8Au9.8(4)Ga7.2 and Na17Au5.87(2)Ga46.63: The diversity of pseudo 5-fold symmetries in the Na‒Au‒Ga system","Journal of Solid State Chemistry","2013","207","","21","28","10.1016/j.jssc.2013.08.017","","","0.71073","MoKα","","0.061","0.0363","","","0.0632","0.0691","","","","","","1.13","","","","has coordinates","265131","2021-05-12","07:39:09",""
"1562511","7.7191","0.0001","19.5746","0.0003","12.3696","0.0002","90","","96.588","0.001","90","","1856.68","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Gd N3 O13 -","- C12 H12 Gd N3 O13 -","- C48 H48 Gd4 N12 O52 -","4","1","","da Silva, Fausthon Fred; de Oliveira, Carlos Alberto Fernandes; Falcão, Eduardo Henrique Lago; Gatto, Claudia Cristina; da Costa, Nivan Bezerra; Freire, Ricardo Oliveira; Chojnacki, Jarosław; Alves Júnior, Severino","Hydrothermal reactions: From the synthesis of ligand to new lanthanide 3D-coordination polymers","Journal of Solid State Chemistry","2013","207","","132","139","10.1016/j.jssc.2013.09.004","","","0.71073","MoKα","","0.0363","0.0273","","","0.0574","0.061","","","","","","1.041","","","","has coordinates","265132","2021-05-12","07:50:10",""
"1562512","13.4807","0.0006","14.0789","0.0007","23.7593","0.0011","106.577","0.001","97.386","0.001","98.489","0.001","4204.7","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H60 Ag3 N10 O40 P W12 -","- C60 H60 Ag3 N10 O40 P W12 -","- C120 H120 Ag6 N20 O80 P2 W24 -","2","1","","Zhao, Xiaofang; Sun, Xiaowei; Han, Zhangang; Zhao, Chuan; Yu, Haitao; Zhai, Xueliang","Two new polyoxometalate-based hybrids consisting of Keggin-type cluster modified by {Ag4} group","Journal of Solid State Chemistry","2013","207","","178","183","10.1016/j.jssc.2013.09.023","","","0.71073","MoKα","","0.0388","0.0287","","","0.0643","0.0689","","","","","","1.033","","","","has coordinates","265133","2021-05-12","07:57:31",""
"1562513","17.622","0.002","13.9629","0.0016","19.33","0.002","90","","93.359","0.002","90","","4748.1","0.9","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H72 Ag4 N12 O40 Si W12 -","- C72 H72 Ag4 N12 O40 Si W12 -","- C144 H144 Ag8 N24 O80 Si2 W24 -","2","0.5","","Zhao, Xiaofang; Sun, Xiaowei; Han, Zhangang; Zhao, Chuan; Yu, Haitao; Zhai, Xueliang","Two new polyoxometalate-based hybrids consisting of Keggin-type cluster modified by {Ag4} group","Journal of Solid State Chemistry","2013","207","","178","183","10.1016/j.jssc.2013.09.023","","","0.71073","MoKα","","0.1302","0.078","","","0.1712","0.2022","","","","","","1.044","","","","has coordinates","265133","2021-05-12","07:57:44",""
"1562514","11.2282","0.0016","11.2282","0.0016","6.0823","0.0012","90","","90","","120","","664.08","0.19","293","2","293","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ge3 Mn3 O15 Sr4 -","- Ge3 Mn3 O15 Sr4 -","- Ge6 Mn6 O30 Sr8 -","2","0.166667","","West, J. Palmer; Sulejmanovic, Dino; Becht, Gregory; He, Jian; Hitchcock, Dale; Yan, Yonggao; Hwu, Shiou-Jyh","Enhanced ferromagnetic order in Sr4Mn3O3(GeO4)3 featuring canted [MnO4] spin chains of mixed-valent Mn(III)/Mn(IV). Aliovalent substitution of the Sr4−LnMnIII2+MnIV1−O3(GeO4)3 solid-solution","Journal of Solid State Chemistry","2013","206","","51","59","10.1016/j.jssc.2013.07.033","","","0.71073","MoKα","","0.0565","0.0479","","","0.1078","0.1153","","","","","","1.202","","","","has coordinates","265134","2021-05-12","08:12:26",""
"1562515","11.2335","0.0016","11.2335","0.0016","6.0742","0.0012","90","","90","","120","","663.82","0.19","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Ge3 La0.18 Mn3 O15 Sr3.82 -","- Ge3 La0.179 Mn3 O15 Sr3.821 -","- Ge6 La0.358 Mn6 O30 Sr7.642 -","2","0.166667","","West, J. Palmer; Sulejmanovic, Dino; Becht, Gregory; He, Jian; Hitchcock, Dale; Yan, Yonggao; Hwu, Shiou-Jyh","Enhanced ferromagnetic order in Sr4Mn3O3(GeO4)3 featuring canted [MnO4] spin chains of mixed-valent Mn(III)/Mn(IV). Aliovalent substitution of the Sr4−LnMnIII2+MnIV1−O3(GeO4)3 solid-solution","Journal of Solid State Chemistry","2013","206","","51","59","10.1016/j.jssc.2013.07.033","","","0.71073","MoKα","","0.0352","0.0315","","","0.0717","0.0731","","","","","","1.253","","","","has coordinates","265134","2021-05-12","08:12:28",""
"1562516","11.232","0.0016","11.232","0.0016","6.0737","0.0012","90","","90","","120","","663.59","0.19","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Ge3 Mn3 O15 Pr0.18 Sr3.82 -","- Ge3 Mn3 O15 Pr0.184 Sr3.816 -","- Ge6 Mn6 O30 Pr0.368 Sr7.632 -","2","0.166667","","West, J. Palmer; Sulejmanovic, Dino; Becht, Gregory; He, Jian; Hitchcock, Dale; Yan, Yonggao; Hwu, Shiou-Jyh","Enhanced ferromagnetic order in Sr4Mn3O3(GeO4)3 featuring canted [MnO4] spin chains of mixed-valent Mn(III)/Mn(IV). Aliovalent substitution of the Sr4−LnMnIII2+MnIV1−O3(GeO4)3 solid-solution","Journal of Solid State Chemistry","2013","206","","51","59","10.1016/j.jssc.2013.07.033","","","0.71073","MoKα","","0.0468","0.0396","","","0.0957","0.1012","","","","","","1.17","","","","has coordinates","265134","2021-05-12","08:12:28",""
"1562517","11.2316","0.0016","11.2316","0.0016","6.0755","0.0012","90","","90","","120","","663.74","0.19","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Ge3 Mn3 Nd0.18 O15 Sr3.82 -","- Ge3 Mn3 Nd0.172 O15 Sr3.828 -","- Ge6 Mn6 Nd0.344 O30 Sr7.656 -","2","0.166667","","West, J. Palmer; Sulejmanovic, Dino; Becht, Gregory; He, Jian; Hitchcock, Dale; Yan, Yonggao; Hwu, Shiou-Jyh","Enhanced ferromagnetic order in Sr4Mn3O3(GeO4)3 featuring canted [MnO4] spin chains of mixed-valent Mn(III)/Mn(IV). Aliovalent substitution of the Sr4−LnMnIII2+MnIV1−O3(GeO4)3 solid-solution","Journal of Solid State Chemistry","2013","206","","51","59","10.1016/j.jssc.2013.07.033","","","0.71073","MoKα","","0.0306","0.027","","","0.0635","0.0658","","","","","","1.223","","","","has coordinates","265134","2021-05-12","08:12:28",""
"1562518","11.2248","0.0016","11.2248","0.0016","6.0673","0.0012","90","","90","","120","","662.04","0.19","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Ge3 Mn3 O15 Sm0.21 Sr3.79 -","- Ge3 Mn3 O15 Sm0.21 Sr3.79 -","- Ge6 Mn6 O30 Sm0.42 Sr7.58 -","2","0.166667","","West, J. Palmer; Sulejmanovic, Dino; Becht, Gregory; He, Jian; Hitchcock, Dale; Yan, Yonggao; Hwu, Shiou-Jyh","Enhanced ferromagnetic order in Sr4Mn3O3(GeO4)3 featuring canted [MnO4] spin chains of mixed-valent Mn(III)/Mn(IV). Aliovalent substitution of the Sr4−LnMnIII2+MnIV1−O3(GeO4)3 solid-solution","Journal of Solid State Chemistry","2013","206","","51","59","10.1016/j.jssc.2013.07.033","","","0.71073","MoKα","","0.0598","0.0494","","","0.1162","0.1232","","","","","","1.164","","","","has coordinates","265134","2021-05-12","08:12:28",""
"1562519","11.2317","0.0016","11.2317","0.0016","6.0705","0.0012","90","","90","","120","","663.2","0.19","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Eu0.15 Ge3 Mn3 O15 Sr3.85 -","- Eu0.15 Ge3 Mn3 O15 Sr3.85 -","- Eu0.3 Ge6 Mn6 O30 Sr7.7 -","2","0.166667","","West, J. Palmer; Sulejmanovic, Dino; Becht, Gregory; He, Jian; Hitchcock, Dale; Yan, Yonggao; Hwu, Shiou-Jyh","Enhanced ferromagnetic order in Sr4Mn3O3(GeO4)3 featuring canted [MnO4] spin chains of mixed-valent Mn(III)/Mn(IV). Aliovalent substitution of the Sr4−LnMnIII2+MnIV1−O3(GeO4)3 solid-solution","Journal of Solid State Chemistry","2013","206","","51","59","10.1016/j.jssc.2013.07.033","","","0.71073","MoKα","","0.0767","0.0627","","","0.1559","0.1721","","","","","","1.211","","","","has coordinates","265134","2021-05-12","08:12:28",""
"1562520","11.2255","0.0016","11.2255","0.0016","6.0703","0.0012","90","","90","","120","","662.45","0.19","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Gd0.15 Ge3 Mn3 O15 Sr3.85 -","- Gd0.15 Ge3 Mn3 O15 Sr3.85 -","- Gd0.3 Ge6 Mn6 O30 Sr7.7 -","2","0.166667","","West, J. Palmer; Sulejmanovic, Dino; Becht, Gregory; He, Jian; Hitchcock, Dale; Yan, Yonggao; Hwu, Shiou-Jyh","Enhanced ferromagnetic order in Sr4Mn3O3(GeO4)3 featuring canted [MnO4] spin chains of mixed-valent Mn(III)/Mn(IV). Aliovalent substitution of the Sr4−LnMnIII2+MnIV1−O3(GeO4)3 solid-solution","Journal of Solid State Chemistry","2013","206","","51","59","10.1016/j.jssc.2013.07.033","","","0.71073","MoKα","","0.0678","0.0597","","","0.1376","0.1445","","","","","","1.132","","","","has coordinates","265134","2021-05-12","08:12:31",""
"1562521","11.2113","0.0016","11.2113","0.0016","6.0617","0.0012","90","","90","","120","","659.84","0.19","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Dy0.12 Ge3 Mn3 O15 Sr3.88 -","- Dy0.119 Ge3 Mn3 O15 Sr3.881 -","- Dy0.238 Ge6 Mn6 O30 Sr7.762 -","2","0.166667","","West, J. Palmer; Sulejmanovic, Dino; Becht, Gregory; He, Jian; Hitchcock, Dale; Yan, Yonggao; Hwu, Shiou-Jyh","Enhanced ferromagnetic order in Sr4Mn3O3(GeO4)3 featuring canted [MnO4] spin chains of mixed-valent Mn(III)/Mn(IV). Aliovalent substitution of the Sr4−LnMnIII2+MnIV1−O3(GeO4)3 solid-solution","Journal of Solid State Chemistry","2013","206","","51","59","10.1016/j.jssc.2013.07.033","","","0.71073","MoKα","","0.0588","0.0503","","","0.1248","0.1317","","","","","","1.148","","","","has coordinates","265134","2021-05-12","08:12:31",""
"1562522","11.2259","0.0016","11.2259","0.0016","6.0482","0.0012","90","","90","","120","","660.08","0.19","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- Gd0.29 Ge3 Mn3 O15 Sr3.71 -","- Gd0.289 Ge3 Mn3 O15 Sr3.711 -","- Gd0.578 Ge6 Mn6 O30 Sr7.422 -","2","0.166667","","West, J. Palmer; Sulejmanovic, Dino; Becht, Gregory; He, Jian; Hitchcock, Dale; Yan, Yonggao; Hwu, Shiou-Jyh","Enhanced ferromagnetic order in Sr4Mn3O3(GeO4)3 featuring canted [MnO4] spin chains of mixed-valent Mn(III)/Mn(IV). Aliovalent substitution of the Sr4−LnMnIII2+MnIV1−O3(GeO4)3 solid-solution","Journal of Solid State Chemistry","2013","206","","51","59","10.1016/j.jssc.2013.07.033","","","0.71073","MoKα","","0.049","0.044","","","0.0912","0.0946","","","","","","1.086","","","","has coordinates","265134","2021-05-12","08:12:31",""
"1562523","16.0491","0.0004","16.0491","0.0004","8.1587","0.0002","90","","90","","90","","2101.47","0.09","296","2","296","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","lanthanum manganese germanide (2.12/1/2.16)","lanthanum manganese germanide (2.12/1/2.16)","","- Ge2.16 La2.12 Mn -","- Ge2.16087 La2.126 Mn -","- Ge34.574 La34.016 Mn16 -","16","1","","Oliynyk, Anton O.; Mar, Arthur","Rare-earth manganese germanides RE2+MnGe2+ (RE=La, Ce) built from four-membered rings and stellae quadrangulae of Mn-centred tetrahedra","Journal of Solid State Chemistry","2013","206","","60","65","10.1016/j.jssc.2013.07.025","","","0.71073","MoKα","","0.0313","0.0223","","","0.0421","0.0445","","","","","","1.074","","","","has coordinates","265135","2021-05-12","08:15:59",""
"1562524","7.43","0.002","9.591","0.003","10.315","0.003","98.582","0.005","96.634","0.006","93.822","0.004","719.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Eu N2 O8 S -","- C14 H9 Eu N2 O8 S -","- C28 H18 Eu2 N4 O16 S2 -","2","1","","Sun, Yan-Qiong; Liu, Qi; Zhong, Jie-Cen; Pan, Qun-Feng; Chen, Yi-Ping","Unique (3,8)-connected lanthanide arenedisulfonate metal-organic frameworks containing benzimidazole-5,6-dicarboxylic acid co-ligand: Syntheses, structures and luminescence","Journal of Solid State Chemistry","2013","206","","85","90","10.1016/j.jssc.2013.07.034","","","0.71073","MoKα","","0.045","0.0424","","","0.1155","0.1288","","","","","","1.19","","","","has coordinates","265136","2021-05-12","08:21:31",""
"1562525","7.5305","0.0015","9.7365","0.0019","10.379","0.002","99.17","0.03","97.18","0.03","93.76","0.03","742.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 La N2 O8 S -","- C14 H4 La N2 O8 S -","- C28 H8 La2 N4 O16 S2 -","2","1","","Sun, Yan-Qiong; Liu, Qi; Zhong, Jie-Cen; Pan, Qun-Feng; Chen, Yi-Ping","Unique (3,8)-connected lanthanide arenedisulfonate metal-organic frameworks containing benzimidazole-5,6-dicarboxylic acid co-ligand: Syntheses, structures and luminescence","Journal of Solid State Chemistry","2013","206","","85","90","10.1016/j.jssc.2013.07.034","","","0.71073","MoKα","","0.0508","0.0475","","","0.1322","0.1457","","","","","","1.144","","","","has coordinates","265136","2021-05-12","08:21:31",""
"1562526","6.5396","0.0012","15.55","0.003","10.6719","0.0019","90","","90.44","0.003","90","","1085.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- B5 H5 La N O14 -","- B5 La N O14 -","- B20 La4 N4 O56 -","4","1","","Zhao, Biao-Chun; Sun, Wei; Ren, Wei-Jian; Huang, Ya-Xi; Li, Zucheng; Pan, Yuanming; Mi, Jin-Xiao","Hygroscopic La[B5O8(OH)]NO3·2H2O: Insight into the evolution of borate fundamental building blocks","Journal of Solid State Chemistry","2013","206","","91","98","10.1016/j.jssc.2013.07.032","","","0.71073","MoKα","","0.0494","0.0493","","","0.1725","0.1725","","","","","","1.102","","","","has coordinates","265137","2021-05-12","09:22:27",""
"1562527","6.96679","0.00016","6.91315","0.00014","18.8713","0.0004","90","","108.462","0.0011","90","","862.11","0.03","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Calcium Europium Germanium Oxide","","","- Ca Eu2 Ge3 O10 -","- Ca Eu2 Ge3 O10 -","- Ca4 Eu8 Ge12 O40 -","4","1","","Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Tyutyunnik, Alexander P.; Leonidov, Ivan I.; Zubkov, Vladimir G.","Synthesis, crystal structure and luminescence properties of CaY2−xEuxGe3O10 (x=0‒2)","Journal of Solid State Chemistry","2013","206","","117","121","10.1016/j.jssc.2013.08.002","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.04472","","1.29","","","","","","","has coordinates","265138","2021-05-12","09:29:09",""
"1562528","6.90763","0.00006","6.84276","0.00005","18.7583","0.00016","90","","108.999","0.0005","90","","838.353","0.012","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Calcium Yttrium Germanium Oxide","","","- Ca Ge3 O10 Y2 -","- Ca Ge3 O10 Y2 -","- Ca4 Ge12 O40 Y8 -","4","1","","Lipina, Olga A.; Surat, Ludmila L.; Melkozerova, Marina A.; Tyutyunnik, Alexander P.; Leonidov, Ivan I.; Zubkov, Vladimir G.","Synthesis, crystal structure and luminescence properties of CaY2−xEuxGe3O10 (x=0‒2)","Journal of Solid State Chemistry","2013","206","","117","121","10.1016/j.jssc.2013.08.002","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","0.02633","","2","","","","","","","has coordinates","265139","2021-05-12","09:30:53",""
"1562529","6.5484","0.0001","11.0517","0.0002","10.6663","0.0002","90","","93.521","0.001","90","","770.47","0.02","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cesium uranyl chloride selenite","","","- Cl Cs O5 Se U -","- Cl Cs O5 Se U -","- Cl4 Cs4 O20 Se4 U4 -","4","1","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","High temperature redox reactions with uranium: Synthesis and characterization of Cs(UO2)Cl(SeO3), Rb2(UO2)3O2(SeO3)2, and RbNa5U2(SO4)7","Journal of Solid State Chemistry","2013","206","","145","150","10.1016/j.jssc.2013.07.029","","","0.71073","MoKα","","0.028","0.0192","","","0.0345","0.0367","","","","","","1.019","","","","has coordinates","265140","2021-05-12","09:37:28",""
"1562530","7.0511","0.0019","7.1982","0.0019","8.314","0.002","107.663","0.003","102.644","0.003","100.596","0.003","377.85","0.17","298","2","298","2","","","","","","","","7","P -1","-P 1","2","rubidium uranyl oxide selenite","","","- Cl0 Ge0 O7 Rb Se Si0 U1.5 -","- O7 Rb Se U1.5 -","- O14 Rb2 Se2 U3 -","2","1","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","High temperature redox reactions with uranium: Synthesis and characterization of Cs(UO2)Cl(SeO3), Rb2(UO2)3O2(SeO3)2, and RbNa5U2(SO4)7","Journal of Solid State Chemistry","2013","206","","145","150","10.1016/j.jssc.2013.07.029","","","0.71073","MoKα","","0.0582","0.0319","","","0.0511","0.0584","","","","","","0.958","","","","has coordinates","265140","2021-05-12","09:37:28",""
"1562531","17.862","0.002","6.9308","0.0008","20.133","0.003","90","","109.737","0.006","90","","2346","0.5","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Rubidium pentasodium diuranium sulfate","","","- Cl0 Cu0 Na1.67 O9.33 Rb0.33 S2.33 Te0 U0.67 -","- Na1.66667 O9.33333 Rb0.333333 S2.33333 U0.666667 -","- Na20 O112 Rb4 S28 U8 -","12","1.5","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","High temperature redox reactions with uranium: Synthesis and characterization of Cs(UO2)Cl(SeO3), Rb2(UO2)3O2(SeO3)2, and RbNa5U2(SO4)7","Journal of Solid State Chemistry","2013","206","","145","150","10.1016/j.jssc.2013.07.029","","","0.71073","MoKα","","0.0223","0.0194","","","0.0681","0.0709","","","","","","1.114","","","","has coordinates","265140","2021-05-12","09:37:31",""
"1562532","4.5337","0.00002","5.49959","0.00003","4.9037","0.00002","90","","90","","90","","122.266","0.001","293","","293","","","","","","","","","2","P b c n","-P 2n 2ab","60","","'Titanium Dioxide - II'","","- O2 Ti -","- O2 Ti0.5 -","- O8 Ti2 -","4","0.5","","Spektor, Kristina; Tran, Dung Trung; Leinenweber, Kurt; Häussermann, Ulrich","Transformation of rutile to TiO2-II in a high pressure hydrothermal environment","Journal of Solid State Chemistry","2013","206","","209","216","10.1016/j.jssc.2013.08.018","powder diffraction","x-ray","1.54059","CuKα1","","","","","","","","","2.7199","","","","","","","","has coordinates","265141","2021-05-12","09:45:57",""
"1562533","7.627","0.002","10.595","0.003","14.368","0.004","75.9","0.004","84.592","0.004","75.795","0.004","1090.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 Dy N2 O10 -","- C26 H15 Dy N2 O10 -","- C52 H30 Dy2 N4 O20 -","2","1","","Feng, Xun; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Qiang Shi, Zhi; Wu, Xu-Hong; Ng, Seik-Weng","Lanthanide coordination polymers based on multi-donor ligand containing pyridine and phthalate moieties: Structures, luminescence and magnetic properties","Journal of Solid State Chemistry","2013","206","","277","285","10.1016/j.jssc.2013.08.029","","","0.71073","MoKα","","0.023","0.0208","","","0.0499","0.051","","","","","","1.001","","","","has coordinates","265142","2021-05-12","09:55:16",""
"1562534","7.635","0.0004","10.6255","0.0005","14.3727","0.0008","75.6702","0.0007","84.5632","0.0008","75.8766","0.0007","1094.84","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 Er N2 O10 -","- C26 H15 Er N2 O10 -","- C52 H30 Er2 N4 O20 -","2","1","","Feng, Xun; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Qiang Shi, Zhi; Wu, Xu-Hong; Ng, Seik-Weng","Lanthanide coordination polymers based on multi-donor ligand containing pyridine and phthalate moieties: Structures, luminescence and magnetic properties","Journal of Solid State Chemistry","2013","206","","277","285","10.1016/j.jssc.2013.08.029","","","0.71073","MoKα","","0.0257","0.0244","","","0.0678","0.0689","","","","","","1.017","","","","has coordinates","265142","2021-05-12","09:55:17",""
"1562535","7.6625","0.0008","10.6656","0.0011","14.3777","0.0015","75.587","0.001","84.551","0.001","75.942","0.001","1103.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 Eu N2 O10 -","- C26 H15 Eu N2 O10 -","- C52 H30 Eu2 N4 O20 -","2","1","","Feng, Xun; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Qiang Shi, Zhi; Wu, Xu-Hong; Ng, Seik-Weng","Lanthanide coordination polymers based on multi-donor ligand containing pyridine and phthalate moieties: Structures, luminescence and magnetic properties","Journal of Solid State Chemistry","2013","206","","277","285","10.1016/j.jssc.2013.08.029","","","0.71073","MoKα","","0.021","0.0201","","","0.0508","0.0513","","","","","","1.044","","","","has coordinates","265142","2021-05-12","09:55:17",""
"1562536","7.644","0.003","10.634","0.004","14.374","0.005","75.506","0.005","84.422","0.006","75.941","0.005","1096.5","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 Gd N2 O10 -","- C26 H15 Gd N2 O10 -","- C52 H30 Gd2 N4 O20 -","2","1","","Feng, Xun; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Qiang Shi, Zhi; Wu, Xu-Hong; Ng, Seik-Weng","Lanthanide coordination polymers based on multi-donor ligand containing pyridine and phthalate moieties: Structures, luminescence and magnetic properties","Journal of Solid State Chemistry","2013","206","","277","285","10.1016/j.jssc.2013.08.029","","","0.71073","MoKα","","0.0254","0.0227","","","0.0585","0.0602","","","","","","1.022","","","","has coordinates","265142","2021-05-12","09:55:17",""
"1562537","7.7404","0.0004","10.7583","0.0005","14.4175","0.0007","75.2594","0.0007","84.2335","0.0007","75.7419","0.0006","1124.4","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 N2 O10 Pr -","- C26 H15 N2 O10 Pr -","- C52 H30 N4 O20 Pr2 -","2","1","","Feng, Xun; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Qiang Shi, Zhi; Wu, Xu-Hong; Ng, Seik-Weng","Lanthanide coordination polymers based on multi-donor ligand containing pyridine and phthalate moieties: Structures, luminescence and magnetic properties","Journal of Solid State Chemistry","2013","206","","277","285","10.1016/j.jssc.2013.08.029","","","0.71073","MoKα","","0.0291","0.0279","","","0.0754","0.0763","","","","","","1.016","","","","has coordinates","265142","2021-05-12","09:55:17",""
"1562565","15.2384","0.0005","7.8625","0.0002","21.7614","0.0007","90","","90.534","0.001","90","","2607.16","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","rubidium thorium selenide","dirubidium heptathorium(IV) pentakaidecaselenide","","- Rb2 Se15 Th7 -","- Rb2 Se15 Th7 -","- Rb8 Se60 Th28 -","4","1","","Koscielski, Lukasz A.; Pozzi, Eric A.; Van Duyne, Richard P.; Ibers, James A.","Synthesis, single-crystal structure, and optical absorption of Rb2Th7Se15","Journal of Solid State Chemistry","2013","205","","1","4","10.1016/j.jssc.2013.06.013","","","0.71073","MoKα","","0.0532","0.0317","","","0.0586","0.0631","","","","","","1.115","","","","has coordinates","265256","2021-05-17","06:44:15",""
"1562566","7.4968","0.0004","7.4968","0.0004","13.6302","0.0009","90","","90","","90","","766.04","0.08","100","2","100","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","thorium germanium selenide","dithorium(IV) germanium(II) pentaselenide","","- Ge Se5 Th2 -","- Ge Se5 Th2 -","- Ge4 Se20 Th8 -","4","0.25","","Koscielski, Lukasz A.; Malliakas, Christos D.; Sarjeant, Amy A.; Ibers, James A.","The synthesis, single-crystal structure, optical absorption, and resistivity of Th2GeSe5","Journal of Solid State Chemistry","2013","205","","35","38","10.1016/j.jssc.2013.06.031","","","0.71073","MoKα","","0.0339","0.0261","","","0.0635","0.0648","","","","","","1.611","","","","has coordinates","265257","2021-05-17","06:49:01",""
"1562567","13.5657","0.001","31.929","0.003","12.1817","0.0009","90","","113.842","0.001","90","","4826.1","0.7","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H92 Cu9 Ge2 N16 Na2 O76 W18 -","- C24 H80 Cu9 Ge2 N16 Na2 O76 W18 -","- C48 H160 Cu18 Ge4 N32 Na4 O152 W36 -","2","0.5","","Li, Yanzhou; Luo, Jie; Zhang, Yanting; Zhao, Junwei; Chen, Lijuan; Ma, Pengtao; Niu, Jingyang","Synthesis, characterization, magnetic and electrochemical properties of a new 3D hexa-copper-substituted germanotungstate","Journal of Solid State Chemistry","2013","205","","82","90","10.1016/j.jssc.2013.07.009","","","0.71073","MoKα","","0.0871","0.0704","","","0.1579","0.1639","","","","","","1.077","","","","has coordinates","265258","2021-05-17","06:54:22",""
"1562568","25.419","0.003","10.6458","0.0013","11.62","0.0013","90","","90","","90","","3144.4","0.6","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C32 H26 Br2 Co N4 O4 -","- C32 H26 Br2 Co N4 O4 -","- C128 H104 Br8 Co4 N16 O16 -","4","0.5","","Zhang, Ju-Wen; Gong, Chun-Hua; Hou, Li-Li; Tian, Ai-Xiang; Wang, Xiu-Li","Aromatic carboxylate effect on dimensionality of three bis(benzimidazole)-based cobalt(II) coordination polymers: Syntheses, structures and properties","Journal of Solid State Chemistry","2013","205","","104","109","10.1016/j.jssc.2013.07.013","","","0.71073","MoKα","","0.1243","0.0525","","","0.1104","0.1367","","","","","","0.976","","","","has coordinates","265259","2021-05-17","06:58:31",""
"1562569","9.4709","0.0011","19.227","0.002","13.758","0.0017","90","","106.206","0.002","90","","2405.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N5 O6 -","- C25 H25 Co N5 O6 -","- C100 H100 Co4 N20 O24 -","4","1","","Zhang, Ju-Wen; Gong, Chun-Hua; Hou, Li-Li; Tian, Ai-Xiang; Wang, Xiu-Li","Aromatic carboxylate effect on dimensionality of three bis(benzimidazole)-based cobalt(II) coordination polymers: Syntheses, structures and properties","Journal of Solid State Chemistry","2013","205","","104","109","10.1016/j.jssc.2013.07.013","","","0.71073","MoKα","","0.0827","0.0445","","","0.0889","0.1036","","","","","","1.006","","","","has coordinates","265259","2021-05-17","06:58:31",""
"1562570","11.682","0.002","19.126","0.004","11.518","0.004","90","","96.451","0.003","90","","2557.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Co N4 O4 -","- C30 H18 Co N4 O4 -","- C120 H72 Co4 N16 O16 -","4","0.5","","Zhang, Ju-Wen; Gong, Chun-Hua; Hou, Li-Li; Tian, Ai-Xiang; Wang, Xiu-Li","Aromatic carboxylate effect on dimensionality of three bis(benzimidazole)-based cobalt(II) coordination polymers: Syntheses, structures and properties","Journal of Solid State Chemistry","2013","205","","104","109","10.1016/j.jssc.2013.07.013","","","0.71073","MoKα","","0.1156","0.0613","","","0.1235","0.1427","","","","","","1.064","","","","has coordinates","265259","2021-05-17","06:58:31",""
"1562571","16.402","0.013","4.445","0.004","12.311","0.01","90","","126.515","0.007","90","","721.4","1","300","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- As3 Cd2 Eu2 -","- As3 Cd2 Eu2 -","- As12 Cd8 Eu8 -","4","0.5","","Wang, Jian; Xia, Sheng-Qing; Tao, Xu-Tang; Schäfer, Marion C.; Bobev, Svilen","New ternary phosphides and arsenides. Syntheses, crystal structures, physical properties of Eu2ZnP2, Eu2Zn2P3 and Eu2Cd2As3","Journal of Solid State Chemistry","2013","205","","116","121","10.1016/j.jssc.2013.06.029","","","0.71073","MoKα","","0.024","0.0188","","","0.0363","0.038","","","","","","1.019","","","","has coordinates","265260","2021-05-17","07:03:51",""
"1562572","15.653","0.005","4.1271","0.0013","11.552","0.004","90","","126.647","0.004","90","","598.8","0.3","200","2","200","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Eu2 P3 Zn2 -","- Eu2 P3 Zn2 -","- Eu8 P12 Zn8 -","4","0.5","","Wang, Jian; Xia, Sheng-Qing; Tao, Xu-Tang; Schäfer, Marion C.; Bobev, Svilen","New ternary phosphides and arsenides. Syntheses, crystal structures, physical properties of Eu2ZnP2, Eu2Zn2P3 and Eu2Cd2As3","Journal of Solid State Chemistry","2013","205","","116","121","10.1016/j.jssc.2013.06.029","","","0.71073","MoKα","","0.0378","0.0292","","","0.0597","0.0637","","","","","","1.025","","","","has coordinates","265260","2021-05-17","07:03:52",""
"1562573","4.1777","0.0007","15.925","0.003","7.3008","0.0012","90","","90","","90","","485.72","0.15","200","2","200","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Eu2 P2 Zn -","- Eu2 P2 Zn -","- Eu8 P8 Zn4 -","4","0.5","","Wang, Jian; Xia, Sheng-Qing; Tao, Xu-Tang; Schäfer, Marion C.; Bobev, Svilen","New ternary phosphides and arsenides. Syntheses, crystal structures, physical properties of Eu2ZnP2, Eu2Zn2P3 and Eu2Cd2As3","Journal of Solid State Chemistry","2013","205","","116","121","10.1016/j.jssc.2013.06.029","","","0.71073","MoKα","","0.0168","0.0164","","","0.0391","0.0393","","","","","","1.013","","","","has coordinates","265260","2021-05-17","07:03:53",""
"1562574","10.1327","0.0005","10.1382","0.0005","21.1181","0.001","90","","96.881","0.003","90","","2153.78","0.18","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- K2 P6 Si4 -","- K2 P6 Si4 -","- K16 P48 Si32 -","8","1","","Feng, Kai; Kang, Lei; Yin, Wenlong; Hao, Wenyu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng","KSi2P3: A new layered phosphidopolysilicate (IV)","Journal of Solid State Chemistry","2013","205","","129","133","10.1016/j.jssc.2013.07.018","","","0.71073","MoKα","","0.0972","0.0715","","","0.191","0.2105","","","","","","1.123","","","","has coordinates","265261","2021-05-17","07:07:00",""
"1562575","11.3902","0.0008","11.3902","0.0008","8.0168","0.0006","90","","90","","90","","1040.07","0.13","90","2","90","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- Al4 B10 Ce3 Ni26 Ru3 -","- Al4.098 B10 Ce3 Ni25.742 Ru3.16 -","- Al8.196 B20 Ce6 Ni51.484 Ru6.32 -","2","0.125","","Janka, Oliver; Baumbach, Ryan E.; Thompson, Joe D.; Bauer, Eric D.; Kauzlarich, Susan M.","Crystal structure, magnetism and transport properties of Ce3Ni25.75Ru3.16Al4.1B10","Journal of Solid State Chemistry","2013","205","","154","159","10.1016/j.jssc.2013.05.041","","","0.71073","MoKα","","0.0164","0.0148","","","0.0321","0.0327","","","","","","1.156","","","","has coordinates","265262","2021-05-17","07:13:35",""
"1562576","3.92306","0.00007","3.92306","","18.6066","0.0006","90","","90","","90","","286.363","0.011","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- Bi3 Br Nb2 O11 Sr2 -","- Bi3 Br Nb2 O11 Sr2 -","- Bi3 Br Nb2 O11 Sr2 -","1","0.0625","","Liu, Samuel; Blanchard, Peter E.R.; Avdeev, Maxim; Kennedy, Brendan J.; Ling, Chris D.","Designing new n=2 Sillen‒Aurivillius phases by lattice-matched substitutions in the halide and [Bi2O2]2+ layers","Journal of Solid State Chemistry","2013","205","","165","170","10.1016/j.jssc.2013.07.004","powder diffraction","neutron","2.4395","","","","","","","","","0.06345","","2.07","","","","","","","has coordinates","265263","2021-05-17","07:22:24",""
"1562577","12.546","0.003","21.801","0.005","23.015","0.005","98.475","0.005","92.173","0.005","103.235","0.005","6044","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H112 Gd2 N12 O40 S6 -","- C110 H112 Gd2 N12 O40 S6 -","- C220 H224 Gd4 N24 O80 S12 -","2","1","","Song, Xue-Qin; Wang, Li; Zhao, Meng-Meng; Wang, Xiao-Run; Peng, Yun-Qiao; Cheng, Guo-Quan","Synthesis, crystal structure and luminescence properties of lanthanide coordination polymers with a new semirigid bridging thenylsalicylamide ligand","Journal of Solid State Chemistry","2013","205","","183","189","10.1016/j.jssc.2013.07.014","","","0.71073","MoKα","","0.0896","0.0594","","","0.1513","0.1771","","","","","","1.055","","","","has coordinates,has disorder","265264","2021-05-17","07:27:13",""
"1562578","12.5297","0.0016","21.79","0.003","22.969","0.003","98.434","0.002","92.105","0.002","103.192","0.003","6023.5","1.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C110 H112 N12 O40 S6 Tb2 -","- C110 H112 N12 O40 S6 Tb2 -","- C220 H224 N24 O80 S12 Tb4 -","2","1","","Song, Xue-Qin; Wang, Li; Zhao, Meng-Meng; Wang, Xiao-Run; Peng, Yun-Qiao; Cheng, Guo-Quan","Synthesis, crystal structure and luminescence properties of lanthanide coordination polymers with a new semirigid bridging thenylsalicylamide ligand","Journal of Solid State Chemistry","2013","205","","183","189","10.1016/j.jssc.2013.07.014","","","0.71073","MoKα","","0.1089","0.0739","","","0.1976","0.2342","","","","","","1.018","","","","has coordinates,has disorder","265264","2021-05-17","07:27:14",""
"1562579","13.1968","0.0007","15.1891","0.0008","16.2328","0.0009","62.214","0.002","77.483","0.003","74.504","0.003","2757.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H91 N4 O18 P5 Zn3 -","- C32 H65 N4 O18 P5 Zn3 -","- C64 H130 N8 O36 P10 Zn6 -","2","1","","Wang, Chih-Min; Chiu, Cheng-Wei; Lin, Hsiu-Mei; Lii, Kwang-Hwa","Synthesis and characterization of three-layered zinc phosphites containing tert-octylamine molecules with template and ligand roles","Journal of Solid State Chemistry","2013","204","","16","20","10.1016/j.jssc.2013.05.003","","","0.71073","MoKα","","0.0726","0.0551","","","0.1486","0.1612","","","","","","1.046","","","","has coordinates","265265","2021-05-17","07:40:46",""
"1562580","15.2162","0.0012","9.3657","0.0006","9.151","0.0006","90","","91.565","0.005","90","","1303.63","0.16","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 N O3 P Zn -","- C8 H20 N O3 P Zn -","- C32 H80 N4 O12 P4 Zn4 -","4","1","","Wang, Chih-Min; Chiu, Cheng-Wei; Lin, Hsiu-Mei; Lii, Kwang-Hwa","Synthesis and characterization of three-layered zinc phosphites containing tert-octylamine molecules with template and ligand roles","Journal of Solid State Chemistry","2013","204","","16","20","10.1016/j.jssc.2013.05.003","","","0.71073","MoKα","","0.0742","0.0398","","","0.0883","0.1028","","","","","","0.999","","","","has coordinates","265265","2021-05-17","07:40:48",""
"1562581","23.1337","0.0006","13.6375","0.0004","14.1822","0.0003","90","","90","","90","","4474.3","0.2","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H64 N3 O15 P5 Zn4 -","- C24 H58 N3 O15 P5 Zn4 -","- C96 H232 N12 O60 P20 Zn16 -","4","1","","Wang, Chih-Min; Chiu, Cheng-Wei; Lin, Hsiu-Mei; Lii, Kwang-Hwa","Synthesis and characterization of three-layered zinc phosphites containing tert-octylamine molecules with template and ligand roles","Journal of Solid State Chemistry","2013","204","","16","20","10.1016/j.jssc.2013.05.003","","","0.71073","MoKα","","0.116","0.0482","","","0.0901","0.1123","","","","","","0.998","","","","has coordinates","265265","2021-05-17","07:40:51",""
"1562582","9.55191","0.00003","9.55191","0.00003","10.8879","0.00004","90","","90","","120","","860.31","0.005","295","","295","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- Co O6 Sr3 Zn -","- Co O6 Sr3 Zn -","- Co6 O36 Sr18 Zn6 -","6","0.166667","","Wang, Xia; Guo, Yanfeng; Sun, Ying; Tsujimoto, Yoshihiro; Matsushita, Yoshitaka; Yamaura, Kazunari","Crystal structure and magnetic properties and Zn substitution effects on the spin-chain compound Sr3Co2O6","Journal of Solid State Chemistry","2013","204","","40","46","10.1016/j.jssc.2013.05.014","powder diffraction","","0.65298","synchrotron","","","","","","","","0.06211","0.06615","9.0637","","","","","","","has coordinates","265266","2021-05-17","07:46:07",""
"1562583","4.9747","0.0003","9.178","0.0008","16.6817","0.0019","90","","90","","90","","761.65","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","potassium tungstate-arsenate","","","- As K O9 W2 -","- As K O9 W2 -","- As4 K4 O36 W8 -","4","1","","Alekseev, Evgeny V.; Felbinger, Olivier; Wu, Shijun; Malcherek, Thomas; Depmeier, Wulf; Modolo, Giuseppe; Gesing, Thorsten M.; Krivovichev, Sergey V.; Suleimanov, Evgeny V.; Gavrilova, Tatiana A.; Pokrovsky, Lev D.; Pugachev, Alexey M.; Surovtsev, Nikolay V.; Atuchin, Victor V.","K[AsW2O9], the first member of the arsenate‒tungsten bronze family: Synthesis, structure, spectroscopic and non-linear optical properties","Journal of Solid State Chemistry","2013","204","","59","63","10.1016/j.jssc.2013.04.038","","","0.71073","MoKα","","0.0171","0.0145","","","0.0256","0.026","","","","","","1.054","","","","has coordinates","265267","2021-05-17","07:51:31",""
"1562584","13.852","0.003","9.802","0.002","22.035","0.004","90","","105.98","0.03","90","","2876.2","1.1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H26 Ce N5 O Se6 Sn2 -","- C8 H4 Ce N5 O Se6 Sn2 -","- C32 H16 Ce4 N20 O4 Se24 Sn8 -","4","0.5","","Tang, Chunying; Wang, Fang; Chen, Ruihong; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Complexation of Sn2Se6 with lanthanide(III) centers influenced by ethylene polyamines: Solvothermal syntheses, crystal structures, and optical properties of lanthanide selenidostannates","Journal of Solid State Chemistry","2013","204","","70","77","10.1016/j.jssc.2013.05.008","","","0.71073","MoKα","","0.0738","0.051","","","0.1415","0.1591","","","","","","1.103","","","","has coordinates","265268","2021-05-17","07:56:04",""
"1562585","21.255","0.004","12.835","0.003","17.633","0.004","90","","125.41","0.03","90","","3921","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H50 N10 O3 Se6 Sn2 Yb2 -","- C16 H48 N10 O3 Se6 Sn2 Yb2 -","- C64 H192 N40 O12 Se24 Sn8 Yb8 -","4","0.5","","Tang, Chunying; Wang, Fang; Chen, Ruihong; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Complexation of Sn2Se6 with lanthanide(III) centers influenced by ethylene polyamines: Solvothermal syntheses, crystal structures, and optical properties of lanthanide selenidostannates","Journal of Solid State Chemistry","2013","204","","70","77","10.1016/j.jssc.2013.05.008","","","0.71073","MoKα","","0.0758","0.0522","","","0.1427","0.1657","","","","","","1.119","","","","has coordinates","265268","2021-05-17","07:56:14",""
"1562586","9.8321","0.0018","10.5836","0.0018","18.091","0.003","90.097","0.004","92.448","0.003","94.5","0.003","1875","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H110 Ce2 N24 Se12 Sn4 -","- C36 H98 Ce2 N24 Se12 Sn4 -","- C36 H98 Ce2 N24 Se12 Sn4 -","1","0.5","","Tang, Chunying; Wang, Fang; Chen, Ruihong; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Complexation of Sn2Se6 with lanthanide(III) centers influenced by ethylene polyamines: Solvothermal syntheses, crystal structures, and optical properties of lanthanide selenidostannates","Journal of Solid State Chemistry","2013","204","","70","77","10.1016/j.jssc.2013.05.008","","","0.71073","MoKα","","0.0381","0.0281","","","0.0608","0.063","","","","","","0.989","","","","has coordinates","265268","2021-05-17","07:56:16",""
"1562587","9.8417","0.001","10.5781","0.001","18.08","0.0018","90.065","0.003","92.532","0.003","94.511","0.003","1874.6","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H110 N24 Nd2 Se12 Sn4 -","- C36 H98 N24 Nd2 Se12 Sn4 -","- C36 H98 N24 Nd2 Se12 Sn4 -","1","0.5","","Tang, Chunying; Wang, Fang; Chen, Ruihong; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Complexation of Sn2Se6 with lanthanide(III) centers influenced by ethylene polyamines: Solvothermal syntheses, crystal structures, and optical properties of lanthanide selenidostannates","Journal of Solid State Chemistry","2013","204","","70","77","10.1016/j.jssc.2013.05.008","","","0.71073","MoKα","","0.0379","0.0285","","","0.0542","0.0568","","","","","","0.968","","","","has coordinates","265268","2021-05-17","07:56:18",""
"1562588","12.0262","0.001","11.6659","0.001","13.8189","0.0013","90","","98.971","0.003","90","","1915","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H54 N12 O2 Se6 Sn2 Yb2 -","- C16 H54 N12 O2 Se6 Sn2 Yb2 -","- C32 H108 N24 O4 Se12 Sn4 Yb4 -","2","0.5","","Tang, Chunying; Wang, Fang; Chen, Ruihong; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian","Complexation of Sn2Se6 with lanthanide(III) centers influenced by ethylene polyamines: Solvothermal syntheses, crystal structures, and optical properties of lanthanide selenidostannates","Journal of Solid State Chemistry","2013","204","","70","77","10.1016/j.jssc.2013.05.008","","","0.71073","MoKα","","0.0341","0.0279","","","0.0622","0.0642","","","","","","1.132","","","","has coordinates","265268","2021-05-17","07:56:18",""
"1562589","8.9582","0.0018","21.735","0.004","10.448","0.002","90","","99.73","0.03","90","","2005","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Mn2 N O9 -","- C16 H25 Mn2 N O9 -","- C64 H100 Mn8 N4 O36 -","4","1","","Liu, Sui-Jun; Zeng, Yong-Fei; Hu, Xin; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang","Five new Mn(II)/Co(II) coordination polymers constructed from flexible multicarboxylate ligands with varying magnetic properties","Journal of Solid State Chemistry","2013","204","","197","204","10.1016/j.jssc.2013.05.027","","","0.71073","MoKα","","0.0812","0.0658","","","0.125","0.1304","","","","","","1.191","","","","has coordinates","265269","2021-05-17","08:06:04",""
"1562590","12.642","0.003","21.462","0.004","8.8461","0.0018","90","","125.2","0.03","90","","1961.3","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H23 Mn2 N O9 -","- C15 H23 Mn2 N O9 -","- C60 H92 Mn8 N4 O36 -","4","1","","Liu, Sui-Jun; Zeng, Yong-Fei; Hu, Xin; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang","Five new Mn(II)/Co(II) coordination polymers constructed from flexible multicarboxylate ligands with varying magnetic properties","Journal of Solid State Chemistry","2013","204","","197","204","10.1016/j.jssc.2013.05.027","","","0.71073","MoKα","","0.0652","0.0466","","","0.0714","0.0765","","","","","","1.063","","","","has coordinates","265269","2021-05-17","08:06:05",""
"1562591","14.368","0.003","13.606","0.003","26.886","0.008","90","","120.57","0.02","90","","4525","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Mn4 N2 O18 -","- C30 H46 Mn4 N2 O18 -","- C120 H184 Mn16 N8 O72 -","4","1","","Liu, Sui-Jun; Zeng, Yong-Fei; Hu, Xin; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang","Five new Mn(II)/Co(II) coordination polymers constructed from flexible multicarboxylate ligands with varying magnetic properties","Journal of Solid State Chemistry","2013","204","","197","204","10.1016/j.jssc.2013.05.027","","","0.71073","MoKα","","0.1244","0.0888","","","0.2296","0.2504","","","","","","1.116","","","","has coordinates","265269","2021-05-17","08:06:05",""
"1562592","16.435","0.003","9.0777","0.0018","24.428","0.005","90","","90","","90","","3644.5","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Co3 O18 -","- C12 H16 Co3 O18 -","- C96 H128 Co24 O144 -","8","1","","Liu, Sui-Jun; Zeng, Yong-Fei; Hu, Xin; Xue, Li; Han, Song-De; Jia, Ji-Min; Hu, Tong-Liang","Five new Mn(II)/Co(II) coordination polymers constructed from flexible multicarboxylate ligands with varying magnetic properties","Journal of Solid State Chemistry","2013","204","","197","204","10.1016/j.jssc.2013.05.027","","","0.71073","MoKα","","0.0459","0.0378","","","0.0898","0.0936","","","","","","1.107","","","","has coordinates","265269","2021-05-17","08:06:05",""
"1562593","7.563","0.004","6.448","0.003","6.179","0.003","90","","90","","90","","301.3","0.3","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","Cu2MgSiS4","","","- Cu2 Mg S4 Si -","- Cu2 Mg S4 Si -","- Cu4 Mg2 S8 Si2 -","2","0.5","","Liu, Bin-Wen; Zhang, Ming-Jian; Zhao, Zhong-Yan; Zeng, Hui-Yi; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Synthesis, structure, and optical properties of the quaternary diamond-like compounds I2‒II‒IV‒VI4 (I=Cu; II=Mg; IV=Si, Ge; VI=S, Se)","Journal of Solid State Chemistry","2013","204","","251","256","10.1016/j.jssc.2013.05.039","","","0.71073","MoKα","","0.037","0.0359","","","0.0962","0.0973","","","","","","1.035","","","","has coordinates","265270","2021-05-17","08:17:39",""
"1562594","7.638","0.004","6.515","0.004","6.225","0.003","90","","90","","90","","309.8","0.3","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","Cu2MgGeS4","","","- Cu2 Ge Mg S4 -","- Cu2 Ge Mg S4 -","- Cu4 Ge2 Mg2 S8 -","2","0.5","","Liu, Bin-Wen; Zhang, Ming-Jian; Zhao, Zhong-Yan; Zeng, Hui-Yi; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Synthesis, structure, and optical properties of the quaternary diamond-like compounds I2‒II‒IV‒VI4 (I=Cu; II=Mg; IV=Si, Ge; VI=S, Se)","Journal of Solid State Chemistry","2013","204","","251","256","10.1016/j.jssc.2013.05.039","","","0.71073","MoKα","","0.039","0.0386","","","0.1057","0.1062","","","","","","1.041","","","","has coordinates","265270","2021-05-17","08:17:49",""
"1562595","7.953","0.005","6.797","0.004","6.507","0.004","90","","90","","90","","351.7","0.4","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","Cu2MgSiSe4","","","- Cu2 Mg Se4 Si -","- Cu2 Mg Se4 Si -","- Cu4 Mg2 Se8 Si2 -","2","0.5","","Liu, Bin-Wen; Zhang, Ming-Jian; Zhao, Zhong-Yan; Zeng, Hui-Yi; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Synthesis, structure, and optical properties of the quaternary diamond-like compounds I2‒II‒IV‒VI4 (I=Cu; II=Mg; IV=Si, Ge; VI=S, Se)","Journal of Solid State Chemistry","2013","204","","251","256","10.1016/j.jssc.2013.05.039","","","0.71073","MoKα","","0.0368","0.031","","","0.0653","0.0665","","","","","","1.019","","","","has coordinates","265270","2021-05-17","08:18:05",""
"1562596","7.2609","0.0003","11.4032","0.0004","5.1621","0.0002","90","","130.53","0.0011","90","","324.86","0.02","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ce Nb O4 -","- Ce Nb O4 -","- Ce4 Nb4 O16 -","4","0.5","","Bayliss, Ryan D.; Pramana, Stevin S.; An, Tao; Wei, Fengxia; Kloc, Christian L.; White, Andrew J.P.; Skinner, Stephen J.; White, Timothy J.; Baikie, Tom","Fergusonite-type CeNbO4+δ: Single crystal growth, symmetry revision and conductivity","Journal of Solid State Chemistry","2013","204","","291","297","10.1016/j.jssc.2013.06.022","","","0.71073","MoKα","","0.0268","0.0258","","","0.0737","0.0792","","","","2.31","2.31","2.43","","","","has coordinates","265271","2021-05-17","08:23:42",""
"1562597","8.9386","0.0002","10.9038","0.0003","13.9396","0.0004","90","","105.176","0.003","90","","1311.24","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl N3 O6 Pb -","- C10 H10 Cl N3 O6 Pb -","- C40 H40 Cl4 N12 O24 Pb4 -","4","1","","Yu, Xiao-Yang; Xin, Rui; Gao, Wei-Ping; Wang, Na; Zhang, Xiao; Yang, Yan-Yan; Qu, Xiao-Shu","Three PbII coordination polymers based on 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylic acid: Syntheses, crystal structures, and fluorescent properties","Journal of Solid State Chemistry","2013","204","","314","320","10.1016/j.jssc.2013.06.018","","","0.71073","MoKα","","0.03","0.0261","","","0.057","0.0591","","","","","","1.033","","","","has coordinates","265272","2021-05-17","08:30:45",""
"1562598","22.5309","0.0019","27.5242","0.0019","6.8757","0.0006","90","","90","","90","","4263.9","0.6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H14 N6 O9 Pb -","- C20 H14 N6 O9 Pb -","- C160 H112 N48 O72 Pb8 -","8","0.5","","Yu, Xiao-Yang; Xin, Rui; Gao, Wei-Ping; Wang, Na; Zhang, Xiao; Yang, Yan-Yan; Qu, Xiao-Shu","Three PbII coordination polymers based on 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylic acid: Syntheses, crystal structures, and fluorescent properties","Journal of Solid State Chemistry","2013","204","","314","320","10.1016/j.jssc.2013.06.018","","","0.71073","MoKα","","0.0343","0.0284","","","0.0475","0.0504","","","","","","1.027","","","","has coordinates","265272","2021-05-17","08:30:46",""
"1562599","15.3567","0.0005","15.6711","0.0004","15.2073","0.0006","90","","116.44","0.004","90","","3276.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H15 N9 O12 Pb3 -","- C30 H15 N9 O12 Pb3 -","- C120 H60 N36 O48 Pb12 -","4","1","","Yu, Xiao-Yang; Xin, Rui; Gao, Wei-Ping; Wang, Na; Zhang, Xiao; Yang, Yan-Yan; Qu, Xiao-Shu","Three PbII coordination polymers based on 2-(pyridin-2-yl)-1H-imidazole-4,5-dicarboxylic acid: Syntheses, crystal structures, and fluorescent properties","Journal of Solid State Chemistry","2013","204","","314","320","10.1016/j.jssc.2013.06.018","","","0.71073","MoKα","","0.0413","0.032","","","0.0652","0.0697","","","","","","1.033","","","","has coordinates","265272","2021-05-17","08:30:46",""
"1562600","20.608","0.004","15.235","0.003","9.4214","0.0016","90","","102.59","0.005","90","","2886.8","0.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H28 N4 O6 Zn -","- C34 H28 N4 O6 Zn -","- C136 H112 N16 O24 Zn4 -","4","0.5","","Chen, Hong-Xia; Ma, Yong; Zhou, Feng; Wu, Bing; Xu, Qing-Feng; Lu, Jian-Mei; Ge, Jian-Feng","Synthesis, structures of four coordination compounds constructed from o-methacrylamidobenzoic acid and their relationship between structure and solid state luminescence","Journal of Solid State Chemistry","2013","203","","1","7","10.1016/j.jssc.2013.03.055","","","0.71075","MoKα","","0.1227","0.069","","","0.1131","0.1322","","","","","","1.119","","","","has coordinates","265274","2021-05-17","08:51:35",""
"1562601","8.9842","0.0005","10.1349","0.0008","13.8013","0.001","80.705","0.006","87.854","0.005","72.433","0.006","1182.24","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Cd2 N4 O16 -","- C44 H48 Cd2 N4 O16 -","- C44 H48 Cd2 N4 O16 -","1","0.5","","Chen, Hong-Xia; Ma, Yong; Zhou, Feng; Wu, Bing; Xu, Qing-Feng; Lu, Jian-Mei; Ge, Jian-Feng","Synthesis, structures of four coordination compounds constructed from o-methacrylamidobenzoic acid and their relationship between structure and solid state luminescence","Journal of Solid State Chemistry","2013","203","","1","7","10.1016/j.jssc.2013.03.055","","","0.71073","MoKα","","0.0465","0.0327","","","0.06","0.0641","","","","","","1.031","","","","has coordinates","265274","2021-05-17","08:51:46",""
"1562602","32.394","0.004","10.3254","0.0012","21.126","0.003","90","","118.263","0.003","90","","6223.8","1.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H56 Cl2 N10 O8 Pb2 -","- C70 H56 Cl2 N10 O8 Pb2 -","- C280 H224 Cl8 N40 O32 Pb8 -","4","0.5","","Chen, Hong-Xia; Ma, Yong; Zhou, Feng; Wu, Bing; Xu, Qing-Feng; Lu, Jian-Mei; Ge, Jian-Feng","Synthesis, structures of four coordination compounds constructed from o-methacrylamidobenzoic acid and their relationship between structure and solid state luminescence","Journal of Solid State Chemistry","2013","203","","1","7","10.1016/j.jssc.2013.03.055","","","0.71075","MoKα","","0.0654","0.0505","","","0.1182","0.1274","","","","","","1.068","","","","has coordinates","265274","2021-05-17","08:51:49",""
"1562603","7.9963","0.0011","9.9322","0.0014","14.448","0.002","76.013","0.009","85.738","0.012","79.627","0.012","1094.7","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 N4 O6 Pb -","- C23 H15 N4 O6 Pb -","- C46 H30 N8 O12 Pb2 -","2","1","","Chen, Hong-Xia; Ma, Yong; Zhou, Feng; Wu, Bing; Xu, Qing-Feng; Lu, Jian-Mei; Ge, Jian-Feng","Synthesis, structures of four coordination compounds constructed from o-methacrylamidobenzoic acid and their relationship between structure and solid state luminescence","Journal of Solid State Chemistry","2013","203","","1","7","10.1016/j.jssc.2013.03.055","","","0.71075","MoKα","","0.0634","0.0491","","","0.0767","0.0814","","","","","","1.078","","","","has coordinates","265274","2021-05-17","08:52:00",""
"1562604","8.132","0.005","11.001","0.007","12.752","0.008","89.618","0.008","88.362","0.008","70.727","0.007","1076.4","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N2 O5 Zn -","- C22 H22 N2 O5 Zn -","- C44 H44 N4 O10 Zn2 -","2","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya","Diverse assemblies of the (4,4) grid layers exemplified in Zn(II)/Co(II) coordination polymers with dual linear ligands","Journal of Solid State Chemistry","2013","203","","106","113","10.1016/j.jssc.2013.03.053","","","0.71073","MoKα","","0.0456","0.0332","","","0.0777","0.0833","","","","","","1.031","","","","has coordinates","265275","2021-05-17","09:05:29",""
"1562605","10.0129","0.0011","14.0992","0.0016","11.0454","0.0012","90","","113.927","0.001","90","","1425.3","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H10 N O4 Zn -","- C14 H10 N O4 Zn -","- C56 H40 N4 O16 Zn4 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya","Diverse assemblies of the (4,4) grid layers exemplified in Zn(II)/Co(II) coordination polymers with dual linear ligands","Journal of Solid State Chemistry","2013","203","","106","113","10.1016/j.jssc.2013.03.053","","","0.71073","MoKα","","0.0282","0.0238","","","0.0637","0.0656","","","","","","1.062","","","","has coordinates,has disorder","265275","2021-05-17","09:05:29",""
"1562606","11.325","0.003","30.344","0.008","12.026","0.004","90","","92.645","0.004","90","","4128","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Co2 N4 O9 -","- C44 H40 Co2 N4 O9 -","- C176 H160 Co8 N16 O36 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya","Diverse assemblies of the (4,4) grid layers exemplified in Zn(II)/Co(II) coordination polymers with dual linear ligands","Journal of Solid State Chemistry","2013","203","","106","113","10.1016/j.jssc.2013.03.053","","","0.71073","MoKα","","0.0747","0.047","","","0.1053","0.1168","","","","","","1.073","","","","has coordinates","265275","2021-05-17","09:05:30",""
"1562607","8.3413","0.0012","14.84","0.002","15.986","0.002","90","","99.151","0.002","90","","1953.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Co N2 O4 -","- C22 H20 Co N2 O4 -","- C88 H80 Co4 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya","Diverse assemblies of the (4,4) grid layers exemplified in Zn(II)/Co(II) coordination polymers with dual linear ligands","Journal of Solid State Chemistry","2013","203","","106","113","10.1016/j.jssc.2013.03.053","","","0.71073","MoKα","","0.0512","0.0369","","","0.102","0.1115","","","","","","1.034","","","","has coordinates","265275","2021-05-17","09:05:30",""
"1562608","22.381","0.016","10.861","0.008","20.498","0.015","90","","106.796","0.008","90","","4770","6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 Co N2 O6 -","- C25.008 H28 Co N2 O6 -","- C200.064 H224 Co8 N16 O48 -","8","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Xin, Ling-Yun; Li, Xiao-Ling; Wang, Li-Ya","Diverse assemblies of the (4,4) grid layers exemplified in Zn(II)/Co(II) coordination polymers with dual linear ligands","Journal of Solid State Chemistry","2013","203","","106","113","10.1016/j.jssc.2013.03.053","","","0.71073","MoKα","","0.0983","0.0555","","","0.161","0.189","","","","","","1.085","","","","has coordinates,has disorder","265275","2021-05-17","09:05:30",""
"1562609","8.8599","0.0013","8.8599","0.0013","15.148","0.003","90","","90","","120","","1029.8","0.3","298","2","298","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C B15 Ba Li9 O30 -","- C B15 Ba Li9 O30 -","- C2 B30 Ba2 Li18 O60 -","2","0.166667","","Heyward, Carla; McMillen, Colin D.; Kolis, Joseph","Hydrothermal synthesis and structural analysis of new mixed oxyanion borates: Ba11B26O44(PO4)2(OH)6, Li9BaB15O27(CO3) and Ba3Si2B6O16","Journal of Solid State Chemistry","2013","203","","166","173","10.1016/j.jssc.2013.04.022","","","0.71073","MoKα","","0.0212","0.0209","","","0.0551","0.0554","","","","","","1.222","","","","has coordinates","265276","2021-05-17","09:18:18",""
"1562610","6.8909","0.0014","13.629","0.003","25.581","0.005","90","","90.04","0.03","90","","2402.5","0.9","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- B26 Ba11 H6 O58 P2 -","- B26 Ba11 H6 O58 P2 -","- B52 Ba22 H12 O116 P4 -","2","0.5","","Heyward, Carla; McMillen, Colin D.; Kolis, Joseph","Hydrothermal synthesis and structural analysis of new mixed oxyanion borates: Ba11B26O44(PO4)2(OH)6, Li9BaB15O27(CO3) and Ba3Si2B6O16","Journal of Solid State Chemistry","2013","203","","166","173","10.1016/j.jssc.2013.04.022","","","0.71073","MoKα","","0.0726","0.0548","","","0.129","0.1402","","","","","","1.108","","","","has coordinates","265276","2021-05-17","09:18:19",""
"1562611","5.0414","0.001","7.5602","0.0015","8.5374","0.0017","77.15","0.03","77.84","0.03","87.41","0.03","310.13","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- B6 Ba3 O16 Si2 -","- B6 Ba3 O16 Si2 -","- B6 Ba3 O16 Si2 -","1","0.5","","Heyward, Carla; McMillen, Colin D.; Kolis, Joseph","Hydrothermal synthesis and structural analysis of new mixed oxyanion borates: Ba11B26O44(PO4)2(OH)6, Li9BaB15O27(CO3) and Ba3Si2B6O16","Journal of Solid State Chemistry","2013","203","","166","173","10.1016/j.jssc.2013.04.022","","","0.71073","MoKα","","0.03","0.0269","","","0.0641","0.0659","","","","","","1.159","","","","has coordinates","265276","2021-05-17","09:18:19",""
"1562612","4.3615","0.0001","4.3615","0.0001","11.7596","0.0008","90","","90","","90","","223.699","0.017","180","","180","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba3 O5 Te Yb2 -","- Ba3 O5 Te Yb2 -","- Ba3 O5 Te Yb2 -","1","0.0625","","Whalen, J.B.; Besara, T.; Vasquez, R.; Herrera, F.; Sun, J.; Ramirez, D.; Stillwell, R.L.; Tozer, S.W.; Tokumoto, T.D.; McGill, S.A.; Allen, J.; Davidson, M.; Siegrist, T.","A new oxytelluride: Perovskite and CsCl intergrowth in Ba3Yb2O5Te","Journal of Solid State Chemistry","2013","203","","204","211","10.1016/j.jssc.2013.04.030","","","0.71073","MoKα","","0.0642","0.0521","","0.1359","0.1317","0.1359","","","","","","0.9006","","","","has coordinates","265277","2021-05-17","09:25:54",""
"1562613","10.88124","0.00011","7.26808","0.00007","6.84922","0.00006","90","","90","","90","","541.676","0.009","298","2","298","","","","","","","","","3","I b a m","-I 2 2c","72","Europium Tantalate Hydrate","","","- Eu0.13 O8.41 Ta3 -","- Eu0.1342 O8.415 Ta3 -","- Eu0.5368 O33.66 Ta12 -","4","0.25","","Zibrov, Igor P.; Filonenko, Vladimir P.; Zakharov, Nikolai D.; Werner, Peter; Drobot, Dmitrii V.; Nikishina, Elena E.; Lebedeva, Elena N.","New high pressure rare earth tantalates RExTa2O5+1.5x (RE=La, Eu, Yb)","Journal of Solid State Chemistry","2013","203","","240","246","10.1016/j.jssc.2013.03.057","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.05574","","5.43","","","","","","","has coordinates","265278","2021-05-17","09:33:57",""
"1562614","10.41815","0.00026","7.26845","0.00014","6.98322","0.00012","90","","90","","90","","528.796","0.019","298","2","298","","","","","","","","","3","I b a m","-I 2 2c","72","Europium Tantalate","","","- Eu0.13 O8 Ta3 -","- Eu0.1342 O8 Ta3 -","- Eu0.5368 O32 Ta12 -","4","0.25","","Zibrov, Igor P.; Filonenko, Vladimir P.; Zakharov, Nikolai D.; Werner, Peter; Drobot, Dmitrii V.; Nikishina, Elena E.; Lebedeva, Elena N.","New high pressure rare earth tantalates RExTa2O5+1.5x (RE=La, Eu, Yb)","Journal of Solid State Chemistry","2013","203","","240","246","10.1016/j.jssc.2013.03.057","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.13801","","1.26","","","","","","","has coordinates","265279","2021-05-17","09:38:02",""
"1562615","10.87288","0.00011","7.2611","0.00007","6.84009","0.00005","90","","90","","90","","540.019","0.009","298","2","298","","","","","","","","","3","I b a m","-I 2 2c","72","Lanthanum Tantalate Hydrate","","","- La0.11 O8.7 Ta3 -","- La0.1132 O8.7 Ta3 -","- La0.4528 O34.8 Ta12 -","4","0.25","","Zibrov, Igor P.; Filonenko, Vladimir P.; Zakharov, Nikolai D.; Werner, Peter; Drobot, Dmitrii V.; Nikishina, Elena E.; Lebedeva, Elena N.","New high pressure rare earth tantalates RExTa2O5+1.5x (RE=La, Eu, Yb)","Journal of Solid State Chemistry","2013","203","","240","246","10.1016/j.jssc.2013.03.057","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.06299","","1.65","","","","","","","has coordinates","265280","2021-05-17","09:41:11",""
"1562616","10.50988","0.00019","7.26785","0.00012","6.9765","0.00009","90","","90","","90","","532.895","0.015","298","2","298","","","","","","","","","3","I b a m","-I 2 2c","72","Lanthanum Tantalate","","","- La0.11 O8 Ta3 -","- La0.113 O8 Ta3 -","- La0.452 O32 Ta12 -","4","0.25","","Zibrov, Igor P.; Filonenko, Vladimir P.; Zakharov, Nikolai D.; Werner, Peter; Drobot, Dmitrii V.; Nikishina, Elena E.; Lebedeva, Elena N.","New high pressure rare earth tantalates RExTa2O5+1.5x (RE=La, Eu, Yb)","Journal of Solid State Chemistry","2013","203","","240","246","10.1016/j.jssc.2013.03.057","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.09168","","2.7","","","","","","","has coordinates","265281","2021-05-17","09:44:37",""
"1562617","10.90564","0.0001","7.27511","0.00006","6.85526","0.00005","90","","90","","90","","543.894","0.008","298","2","298","","","","","","","","","3","I b a m","-I 2 2c","72","Ytterbium Tantalate Hydrate","","","- O8.45 Ta3 Yb0.08 -","- O8.45 Ta3 Yb0.077 -","- O33.8 Ta12 Yb0.308 -","4","0.25","","Zibrov, Igor P.; Filonenko, Vladimir P.; Zakharov, Nikolai D.; Werner, Peter; Drobot, Dmitrii V.; Nikishina, Elena E.; Lebedeva, Elena N.","New high pressure rare earth tantalates RExTa2O5+1.5x (RE=La, Eu, Yb)","Journal of Solid State Chemistry","2013","203","","240","246","10.1016/j.jssc.2013.03.057","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.06546","","2.53","","","","","","","has coordinates","265282","2021-05-17","09:47:40",""
"1562618","10.45571","0.0002","7.38526","0.00013","6.89231","0.0001","90","","90","","90","","532.211","0.016","298","2","298","","","","","","","","","3","I b a m","-I 2 2c","72","Ytterbium Tantalate","","","- O8 Ta3 Yb0.08 -","- O8 Ta3 Yb0.077 -","- O32 Ta12 Yb0.308 -","4","0.25","","Zibrov, Igor P.; Filonenko, Vladimir P.; Zakharov, Nikolai D.; Werner, Peter; Drobot, Dmitrii V.; Nikishina, Elena E.; Lebedeva, Elena N.","New high pressure rare earth tantalates RExTa2O5+1.5x (RE=La, Eu, Yb)","Journal of Solid State Chemistry","2013","203","","240","246","10.1016/j.jssc.2013.03.057","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.09022","","1.38","","","","","","","has coordinates","265283","2021-05-17","09:50:48",""
"1562625","12.2439","0.0006","15.7514","0.0004","10.6008","0.0003","90","","125.623","0.002","90","","1661.87","0.11","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","disodium calcium dicopper octasilicate monohydrate","","- Ca Cu2 H2 Na2 O21 Si8 -","- Ca Cu2 H2 Na2 O21 Si8 -","- Ca4 Cu8 H8 Na8 O84 Si32 -","4","0.5","","Welch, Mark D.; Rumsey, Michael S.","A new naturally-occurring nanoporous copper sheet‒silicate with 6482 cages related to synthetic “CuSH” phases","Journal of Solid State Chemistry","2013","203","","260","265","10.1016/j.jssc.2013.04.019","","","0.71073","MoKα","","0.033","0.0272","","","0.0687","0.0711","","","","","","1.09","","","","has coordinates,has Fobs","265294","2021-05-18","07:35:09",""
"1562626","13.3621","0.001","9.956","0.0007","10.0538","0.0008","90","","97.956","0.004","90","","1324.61","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N O10 Zn -","- C10 H13 N O10 Zn -","- C40 H52 N4 O40 Zn4 -","4","1","","Yuan, Hong-Yan; Han, Min-Min; Jiang, Xian-Rong; Jiang, Zhan-Guo; Feng, Yun-Long","Six new coordination polymers constructed by 3-carboxyl-5-oxycarboxymethylpyridinio-1-carboxylate: Crystal structures, topologies, photoluminescent and magnetic properties","Journal of Solid State Chemistry","2013","202","","191","199","10.1016/j.jssc.2013.03.035","","","0.71073","MoKα","","","0.0275","","","0.0634","0.0673","","","","","","1.045","","","","has coordinates","265295","2021-05-18","07:55:28",""
"1562627","13.5585","0.0002","10.0016","0.0002","10.3505","0.0002","90","","98.015","0.001","90","","1389.89","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Cd N O10 -","- C10 H13 Cd N O10 -","- C40 H52 Cd4 N4 O40 -","4","1","","Yuan, Hong-Yan; Han, Min-Min; Jiang, Xian-Rong; Jiang, Zhan-Guo; Feng, Yun-Long","Six new coordination polymers constructed by 3-carboxyl-5-oxycarboxymethylpyridinio-1-carboxylate: Crystal structures, topologies, photoluminescent and magnetic properties","Journal of Solid State Chemistry","2013","202","","191","199","10.1016/j.jssc.2013.03.035","","","0.71073","MoKα","","","0.0194","","","0.0473","0.0495","","","","","","1.044","","","","has coordinates","265295","2021-05-18","07:55:29",""
"1562628","13.5001","0.0002","9.9867","0.0001","10.2485","0.0002","90","","97.73","0.001","90","","1369.16","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Mn N O10 -","- C10 H13 Mn N O10 -","- C40 H52 Mn4 N4 O40 -","4","1","","Yuan, Hong-Yan; Han, Min-Min; Jiang, Xian-Rong; Jiang, Zhan-Guo; Feng, Yun-Long","Six new coordination polymers constructed by 3-carboxyl-5-oxycarboxymethylpyridinio-1-carboxylate: Crystal structures, topologies, photoluminescent and magnetic properties","Journal of Solid State Chemistry","2013","202","","191","199","10.1016/j.jssc.2013.03.035","","","0.71073","MoKα","","","0.0307","","","0.0873","0.0886","","","","","","1.013","","","","has coordinates","265295","2021-05-18","07:55:29",""
"1562629","13.3609","0.0016","9.9274","0.0012","10.085","0.0012","90","","98.028","0.005","90","","1324.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 Co N O10 -","- C10 H13 Co N O10 -","- C40 H52 Co4 N4 O40 -","4","1","","Yuan, Hong-Yan; Han, Min-Min; Jiang, Xian-Rong; Jiang, Zhan-Guo; Feng, Yun-Long","Six new coordination polymers constructed by 3-carboxyl-5-oxycarboxymethylpyridinio-1-carboxylate: Crystal structures, topologies, photoluminescent and magnetic properties","Journal of Solid State Chemistry","2013","202","","191","199","10.1016/j.jssc.2013.03.035","","","0.71073","MoKα","","","0.0221","","","0.0579","0.0587","","","","","","1.064","","","","has coordinates","265295","2021-05-18","07:55:29",""
"1562630","4.9806","0.0006","11.0207","0.0013","11.83","0.0015","113.736","0.005","93.412","0.006","91.569","0.006","592.43","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 Cd N O8 -","- C10 H9 Cd N O8 -","- C20 H18 Cd2 N2 O16 -","2","1","","Yuan, Hong-Yan; Han, Min-Min; Jiang, Xian-Rong; Jiang, Zhan-Guo; Feng, Yun-Long","Six new coordination polymers constructed by 3-carboxyl-5-oxycarboxymethylpyridinio-1-carboxylate: Crystal structures, topologies, photoluminescent and magnetic properties","Journal of Solid State Chemistry","2013","202","","191","199","10.1016/j.jssc.2013.03.035","","","0.71073","MoKα","","","0.0168","","","0.0447","0.0453","","","","","","1.021","","","","has coordinates","265295","2021-05-18","07:55:29",""
"1562631","8.1995","0.001","10.5503","0.0013","23.441","0.003","90","","105.585","0.006","90","","1953.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cd N3 O8 -","- C20 H17 Cd N3 O8 -","- C80 H68 Cd4 N12 O32 -","4","1","","Yuan, Hong-Yan; Han, Min-Min; Jiang, Xian-Rong; Jiang, Zhan-Guo; Feng, Yun-Long","Six new coordination polymers constructed by 3-carboxyl-5-oxycarboxymethylpyridinio-1-carboxylate: Crystal structures, topologies, photoluminescent and magnetic properties","Journal of Solid State Chemistry","2013","202","","191","199","10.1016/j.jssc.2013.03.035","","","0.71073","MoKα","","","0.0279","","","0.076","0.0798","","","","","","1.02","","","","has coordinates","265295","2021-05-18","07:55:29",""
"1562632","10.9156","0.0012","16.1295","0.0017","22.701","0.003","90","","94.523","0.002","90","","3984.4","0.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H39 N4 Ni2 O60 P W12 -","- C24 H22 N4 Ni2 O60 P W12 -","- C48 H44 N8 Ni4 O120 P2 W24 -","2","0.5","","Wei, Meilin; Wang, Xiaoxiang; Sun, Jingjing; Duan, Xianying","A 3D POM‒MOF composite based on Ni(ΙΙ) ion and 2,2′-bipyridyl-3,3′-dicarboxylic acid: Crystal structure and proton conductivity","Journal of Solid State Chemistry","2013","202","","200","206","10.1016/j.jssc.2013.03.041","","","0.71073","MoKα","","0.0691","0.0434","","","0.1145","0.1273","","","","","","0.977","","","","has coordinates,has disorder,has Fobs","265296","2021-05-18","07:59:23",""
"1562633","8.8319","0.001","9.7098","0.001","11.5626","0.0013","106.277","0.002","92.356","0.002","111.188","0.002","876.17","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C40 H28 N8 O8 Zn2 -","2","1","","Chen, Zhi-Hao; Zhao, Yue; Chen, Shui-Sheng; Wang, Peng; Sun, Wei-Yin","Synthesis and characterization of d10 metal complexes with mixed 1,3-di(1H-imidazol-4-yl)benzene and multicarboxylate ligands","Journal of Solid State Chemistry","2013","202","","215","226","10.1016/j.jssc.2013.03.042","","","0.71073","MoKα","","0.0463","0.038","","","0.0874","0.0915","","","","","","1.039","","","","has coordinates","265297","2021-05-18","08:05:13",""
"1562634","15.185","0.003","7.5341","0.0016","19.632","0.003","90","","126.563","0.01","90","","1804","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 N4 O6 Zn -","- C21 H14 N4 O6 Zn -","- C84 H56 N16 O24 Zn4 -","4","1","","Chen, Zhi-Hao; Zhao, Yue; Chen, Shui-Sheng; Wang, Peng; Sun, Wei-Yin","Synthesis and characterization of d10 metal complexes with mixed 1,3-di(1H-imidazol-4-yl)benzene and multicarboxylate ligands","Journal of Solid State Chemistry","2013","202","","215","226","10.1016/j.jssc.2013.03.042","","","0.71073","MoKα","","0.0662","0.0372","","","0.066","0.0717","","","","","","0.943","","","","has coordinates","265297","2021-05-18","08:05:14",""
"1562635","9.1439","0.0003","9.2915","0.0003","12.0125","0.0004","110.126","0.001","90.02","0.001","99.321","0.001","943.88","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N4 O6 Zn -","- C21 H14 N4 O6 Zn -","- C42 H28 N8 O12 Zn2 -","2","1","","Chen, Zhi-Hao; Zhao, Yue; Chen, Shui-Sheng; Wang, Peng; Sun, Wei-Yin","Synthesis and characterization of d10 metal complexes with mixed 1,3-di(1H-imidazol-4-yl)benzene and multicarboxylate ligands","Journal of Solid State Chemistry","2013","202","","215","226","10.1016/j.jssc.2013.03.042","","","0.71073","MoKα","","0.0259","0.0245","","","0.0642","0.0652","","","","","","1.096","","","","has coordinates","265297","2021-05-18","08:05:14",""
"1562636","8.4321","0.0014","15.064","0.003","15.064","0.003","90","","90","","90","","1913.4","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H16 N4 O7 Zn -","- C21 H14 N4 O7 Zn -","- C84 H56 N16 O28 Zn4 -","4","1","","Chen, Zhi-Hao; Zhao, Yue; Chen, Shui-Sheng; Wang, Peng; Sun, Wei-Yin","Synthesis and characterization of d10 metal complexes with mixed 1,3-di(1H-imidazol-4-yl)benzene and multicarboxylate ligands","Journal of Solid State Chemistry","2013","202","","215","226","10.1016/j.jssc.2013.03.042","","","0.71073","MoKα","","0.0315","0.0306","","","0.0787","0.0794","","","","","","1.033","","","","has coordinates","265297","2021-05-18","08:05:14",""
"1562637","9.8679","0.0008","10.2786","0.0007","10.6037","0.0008","90.51","0.001","108.471","0.001","106.379","0.003","972.99","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N4 O7 Zn2 -","- C21 H14 N4 O7 Zn2 -","- C42 H28 N8 O14 Zn4 -","2","1","","Chen, Zhi-Hao; Zhao, Yue; Chen, Shui-Sheng; Wang, Peng; Sun, Wei-Yin","Synthesis and characterization of d10 metal complexes with mixed 1,3-di(1H-imidazol-4-yl)benzene and multicarboxylate ligands","Journal of Solid State Chemistry","2013","202","","215","226","10.1016/j.jssc.2013.03.042","","","0.71073","MoKα","","0.0353","0.0328","","","0.0914","0.0927","","","","","","1.023","","","","has coordinates","265297","2021-05-18","08:05:14",""
"1562638","8.3451","0.0009","10.1109","0.001","11.2679","0.0011","100.743","0.002","90.027","0.002","112.287","0.002","861.65","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cd N4 O4 -","- C20 H14 Cd N4 O4 -","- C40 H28 Cd2 N8 O8 -","2","1","","Chen, Zhi-Hao; Zhao, Yue; Chen, Shui-Sheng; Wang, Peng; Sun, Wei-Yin","Synthesis and characterization of d10 metal complexes with mixed 1,3-di(1H-imidazol-4-yl)benzene and multicarboxylate ligands","Journal of Solid State Chemistry","2013","202","","215","226","10.1016/j.jssc.2013.03.042","","","0.71073","MoKα","","0.036","0.035","","","0.0813","0.0819","","","","","","1.223","","","","has coordinates","265297","2021-05-18","08:05:14",""
"1562639","16.6011","0.0012","16.2848","0.0012","19.7529","0.001","90","","118.741","0.004","90","","4682.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Cd3 N8 O18 -","- C42 H28 Cd3 N8 O18 -","- C168 H112 Cd12 N32 O72 -","4","1","","Chen, Zhi-Hao; Zhao, Yue; Chen, Shui-Sheng; Wang, Peng; Sun, Wei-Yin","Synthesis and characterization of d10 metal complexes with mixed 1,3-di(1H-imidazol-4-yl)benzene and multicarboxylate ligands","Journal of Solid State Chemistry","2013","202","","215","226","10.1016/j.jssc.2013.03.042","","","0.71073","MoKα","","0.1341","0.1257","","","0.2447","0.2482","","","","","","1.343","","","","has coordinates","265297","2021-05-18","08:05:14",""
"1562640","15.3042","0.0007","15.5719","0.0007","16.3522","0.0008","104.723","0.001","105.151","0.001","101.628","0.001","3484.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H60 Cd4.5 N7 O30 -","- C64 H60 Cd4.5 N7 O30 -","- C128 H120 Cd9 N14 O60 -","2","1","","Zhao, Wen; Zhang, Li-Juan; Zhao, Xiao-Li","Structural variations and photoluminescent properties of a series of metal-organic frameworks constructed from 5-(4-carboxybenzoylamino)-isophthalic acid","Journal of Solid State Chemistry","2013","202","","250","256","10.1016/j.jssc.2013.03.030","","","0.71073","MoKα","","0.0366","0.0344","","","0.083","0.0847","","","","","","1.12","","","","has coordinates","265298","2021-05-18","08:36:05",""
"1562641","19.0173","0.0019","7.3088","0.0007","18.6844","0.0018","90","","117.511","0.006","90","","2303.3","0.4","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H14 Cd3 N2 O27 -","- C32 H14 Cd3 N2 O27 -","- C64 H28 Cd6 N4 O54 -","2","0.5","","Zhao, Wen; Zhang, Li-Juan; Zhao, Xiao-Li","Structural variations and photoluminescent properties of a series of metal-organic frameworks constructed from 5-(4-carboxybenzoylamino)-isophthalic acid","Journal of Solid State Chemistry","2013","202","","250","256","10.1016/j.jssc.2013.03.030","","","0.71073","MoKα","","0.0704","0.0668","","","0.1674","0.1694","","","","","","1.153","","","","has coordinates","265298","2021-05-18","08:36:08",""
"1562642","25.603","0.001","10.098","0.0004","19.7543","0.0008","90","","129.812","0.001","90","","3923.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 La N O13 -","- C16 H8 La N O13 -","- C128 H64 La8 N8 O104 -","8","1","","Zhao, Wen; Zhang, Li-Juan; Zhao, Xiao-Li","Structural variations and photoluminescent properties of a series of metal-organic frameworks constructed from 5-(4-carboxybenzoylamino)-isophthalic acid","Journal of Solid State Chemistry","2013","202","","250","256","10.1016/j.jssc.2013.03.030","","","0.71073","MoKα","","0.0346","0.0249","","","0.0655","0.0729","","","","","","1.048","","","","has coordinates","265298","2021-05-18","08:36:08",""
"1562643","19.6865","0.0011","10.0577","0.0006","9.9614","0.0006","90","","99.606","0.002","90","","1944.7","0.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C60 H20 Ce4 N4 O52 -","- C60 H20 Ce4 N4 O48 -","- C60 H20 Ce4 N4 O48 -","1","0.125","","Zhao, Wen; Zhang, Li-Juan; Zhao, Xiao-Li","Structural variations and photoluminescent properties of a series of metal-organic frameworks constructed from 5-(4-carboxybenzoylamino)-isophthalic acid","Journal of Solid State Chemistry","2013","202","","250","256","10.1016/j.jssc.2013.03.030","","","0.71073","MoKα","","0.0595","0.0542","","","0.1429","0.1483","","","","","","1.096","","","","has coordinates","265298","2021-05-18","08:36:09",""
"1562644","8.165","0.0005","11.1546","0.0007","38.687","0.002","90","","94.893","0.002","90","","3510.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H19 N2 O22 Tb -","- C32 H19 N2 O22 Tb -","- C128 H76 N8 O88 Tb4 -","4","1","","Zhao, Wen; Zhang, Li-Juan; Zhao, Xiao-Li","Structural variations and photoluminescent properties of a series of metal-organic frameworks constructed from 5-(4-carboxybenzoylamino)-isophthalic acid","Journal of Solid State Chemistry","2013","202","","250","256","10.1016/j.jssc.2013.03.030","","","0.71073","MoKα","","0.0769","0.0446","","","0.0797","0.0879","","","","","","0.885","","","","has coordinates","265298","2021-05-18","08:36:09",""
"1562645","9.7876","0.0002","9.7876","0.0002","6.0989","0.0002","90","","90","","120","","505.98","0.02","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe Ga S7 Sm3 -","- Fe Ga S7 Sm3 -","- Fe2 Ga2 S14 Sm6 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0207","0.0203","","","0.0462","0.0463","","","","","","1.25","","","","has coordinates","265299","2021-05-18","08:48:31",""
"1562646","9.6933","0.0003","9.6933","0.0003","6.1281","0.0003","90","","90","","120","","498.65","0.03","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe Ga Gd3 S7 -","- Fe Ga Gd3 S7 -","- Fe2 Ga2 Gd6 S14 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0216","0.021","","","0.0489","0.0491","","","","","","1.269","","","","has coordinates","265299","2021-05-18","08:48:36",""
"1562647","9.9041","0.0002","9.9041","0.0002","6.0722","0.0002","90","","90","","120","","515.83","0.02","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe Ga Nd3 S7 -","- Fe Ga Nd3 S7 -","- Fe2 Ga2 Nd6 S14 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0331","0.0322","","","0.0837","0.0842","","","","","","1.245","","","","has coordinates","265299","2021-05-18","08:48:45",""
"1562648","9.5946","0.0002","9.5946","0.0002","6.1114","0.0002","90","","90","","120","","487.22","0.02","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Dy3 Fe Ga S7 -","- Dy3 Fe Ga S7 -","- Dy6 Fe2 Ga2 S14 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0254","0.0238","","","0.0475","0.0481","","","","","","1.101","","","","has coordinates","265299","2021-05-18","08:48:48",""
"1562649","9.9956","0.0002","9.9956","0.0002","6.398","0.0002","90","","90","","120","","553.6","0.02","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Dy3 Fe Ga Se7 -","- Dy3 Fe Ga Se7 -","- Dy6 Fe2 Ga2 Se14 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0386","0.0378","","","0.0921","0.0933","","","","","","1.144","","","","has coordinates","265299","2021-05-18","08:48:57",""
"1562650","10.2453","0.0003","10.2453","0.0003","6.4076","0.0002","90","","90","","120","","582.47","0.03","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe Ga Nd3 Se7 -","- Fe Ga Nd3 Se7 -","- Fe2 Ga2 Nd6 Se14 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0416","0.0412","","","0.108","0.1082","","","","","","1.191","","","","has coordinates","265299","2021-05-18","08:49:07",""
"1562651","10.0762","0.0002","10.0762","0.0002","6.4265","0.0002","90","","90","","120","","565.07","0.02","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Fe Ga Gd3 Se7 -","- Fe Ga Gd3 Se7 -","- Fe2 Ga2 Gd6 Se14 -","2","0.333333","","Yin, Wenlong; Wang, Wendong; Kang, Lei; Lin, Zheshuai; Feng, Kai; Shi, Youguo; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","Ln3FeGaQ7: A new series of transition-metal rare-earth chalcogenides","Journal of Solid State Chemistry","2013","202","","269","275","10.1016/j.jssc.2013.03.029","","","0.71073","MoKα","","0.0394","0.0386","","","0.09","0.0905","","","","","","1.236","","","","has coordinates","265299","2021-05-18","08:49:17",""
"1562652","11.581","0.002","8.5911","0.0018","8.7162","0.0018","90","","102.506","0.002","90","","846.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B12 Fe H4 O24 -","- B12 Fe H4 O24 -","- B24 Fe2 H8 O48 -","2","0.5","","Yang, Dingfeng; Cong, Rihong; Gao, Wenliang; Yang, Tao","Boric acid flux synthesis, structure and magnetic property of MB12O14(OH)10 (M=Mn, Fe, Zn)","Journal of Solid State Chemistry","2013","201","","29","34","10.1016/j.jssc.2013.02.017","","","0.71073","MoKα","","0.0531","0.0408","","","0.1174","0.1337","","","","","","0.905","","","","has coordinates","265300","2021-05-18","09:01:43",""
"1562653","11.687","0.003","8.6115","0.0019","8.7699","0.0019","90","","102.477","0.002","90","","861.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B12 H10 Mn O24 -","- B12 H10 Mn O24 -","- B24 H20 Mn2 O48 -","2","0.5","","Yang, Dingfeng; Cong, Rihong; Gao, Wenliang; Yang, Tao","Boric acid flux synthesis, structure and magnetic property of MB12O14(OH)10 (M=Mn, Fe, Zn)","Journal of Solid State Chemistry","2013","201","","29","34","10.1016/j.jssc.2013.02.017","","","0.71073","MoKα","","0.0268","0.0232","","","0.0585","0.0612","","","","","","1.06","","","","has coordinates","265300","2021-05-18","09:01:44",""
"1562654","11.562","0.006","8.581","0.004","8.677","0.004","90","","102.614","0.004","90","","840.1","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- B12 H10 O24 Zn -","- B12 H10 O24 Zn -","- B24 H20 O48 Zn2 -","2","0.5","","Yang, Dingfeng; Cong, Rihong; Gao, Wenliang; Yang, Tao","Boric acid flux synthesis, structure and magnetic property of MB12O14(OH)10 (M=Mn, Fe, Zn)","Journal of Solid State Chemistry","2013","201","","29","34","10.1016/j.jssc.2013.02.017","","","0.71073","MoKα","","0.0279","0.0256","","","0.0719","0.0744","","","","","","0.894","","","","has coordinates","265300","2021-05-18","09:01:44",""
"1562655","21.6789","0.001","21.6789","0.001","13.5967","0.0012","90","","90","","120","","5534","0.6","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H84 B18 N12 O67 V12 -","- C18 H69 B18 N12 O67 V12 -","- C54 H207 B54 N36 O201 V36 -","3","0.166667","","Liu, Xing; Zhou, Jian; An, Litao; Chen, Rong; Hu, Feilong; Tang, Qiuling","Hydrothermal syntheses, crystal structures and characterization of new vanadoborates: The novel decorated cage cluster [V6B22O44(OH)10]","Journal of Solid State Chemistry","2013","201","","79","84","10.1016/j.jssc.2013.02.021","","","0.71073","MoKα","","0.075","0.0516","","","0.1416","0.1634","","","","","","1.05","","","","has coordinates","265301","2021-05-18","09:09:12",""
"1562656","24.135","0.003","12.532","0.0013","23.237","0.004","90","","118.967","0.001","90","","6149","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H63 B22 N8 O58.5 V6 -","- C12 H54 B22 N8 O58.5 V6 -","- C48 H216 B88 N32 O234 V24 -","4","0.5","","Liu, Xing; Zhou, Jian; An, Litao; Chen, Rong; Hu, Feilong; Tang, Qiuling","Hydrothermal syntheses, crystal structures and characterization of new vanadoborates: The novel decorated cage cluster [V6B22O44(OH)10]","Journal of Solid State Chemistry","2013","201","","79","84","10.1016/j.jssc.2013.02.021","","","0.71073","MoKα","","0.0732","0.0629","","","0.1867","0.1974","","","","","","1.104","","","","has coordinates","265301","2021-05-18","09:09:12",""
"1562657","23.943","0.005","12.552","0.002","23.198","0.005","90","","118.511","0.005","90","","6126","2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H72 B22 N10 O58 V6 -","- C16 H64 B22 N10 O58 V6 -","- C64 H256 B88 N40 O232 V24 -","4","0.5","","Liu, Xing; Zhou, Jian; An, Litao; Chen, Rong; Hu, Feilong; Tang, Qiuling","Hydrothermal syntheses, crystal structures and characterization of new vanadoborates: The novel decorated cage cluster [V6B22O44(OH)10]","Journal of Solid State Chemistry","2013","201","","79","84","10.1016/j.jssc.2013.02.021","","","0.71075","MoKα","","0.0908","0.0805","","","0.1977","0.2066","","","","","","1.03","","","","has coordinates","265301","2021-05-18","09:09:13",""
"1562658","6.296","0.0002","6.8703","0.0002","22.9826","0.0008","90","","90","","90","","994.12","0.06","293","2","293","2","","","","","","","","4","P n c a","-P 2a 2n","60","","","","- C16 H16 Cu2 O12 -","- C16 H16 Cu2 O12 -","- C32 H32 Cu4 O24 -","2","0.25","","Nfor, Emmanuel N.; Majoumo-Mbe, Felicite; Ndifon, Peter T.; Duke, Emmanuel O.; Mainsah, Evans N.; Offiong, Offiong E.; Eno, Ededet A.","Synthesis, crystal structure, and magnetic properties of bis(aqua)[μ-(terepthalato-κo,κo′)]copper(II)monohydrate [Cu(C8O4)(OH2)2]·H2O","Journal of Solid State Chemistry","2013","201","","133","136","10.1016/j.jssc.2013.02.020","","","0.71073","MoKα","","0.159","0.1464","","","0.4624","0.4784","","","","","","2.239","","","","has coordinates","265302","2021-05-18","09:14:23",""
"1562659","6.6754","0.0006","18.3943","0.0017","8.4571","0.0008","90","","90","","90","","1038.44","0.17","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 N2 O8 Y -","- C5 H9 N2 O8 Y -","- C20 H36 N8 O32 Y4 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.0263","0.0234","","","0.0507","0.0519","","","","","","0.911","","","","has coordinates","265303","2021-05-18","09:23:45",""
"1562660","6.7427","0.0005","18.653","0.0013","8.546","0.0006","90","","90","","90","","1074.84","0.13","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Eu N2 O8 -","- C5 H9 Eu N2 O8 -","- C20 H36 Eu4 N8 O32 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.0204","0.019","","","0.0387","0.0392","","","","","","1.013","","","","has coordinates","265303","2021-05-18","09:23:48",""
"1562661","6.6916","0.0019","18.581","0.006","8.491","0.003","90","","90","","90","","1055.7","0.6","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Gd N2 O8 -","- C5 H9 Gd N2 O8 -","- C20 H36 Gd4 N8 O32 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.0203","0.0196","","","0.0466","0.0469","","","","","","1.11","","","","has coordinates","265303","2021-05-18","09:23:48",""
"1562662","6.6986","0.0004","18.5179","0.0011","8.4934","0.0006","90","","90","","90","","1053.56","0.12","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 N2 O8 Tb -","- C5 H9 N2 O8 Tb -","- C20 H36 N8 O32 Tb4 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.025","0.0227","","","0.0441","0.045","","","","","","0.982","","","","has coordinates","265303","2021-05-18","09:23:48",""
"1562663","6.6837","0.0005","18.4684","0.0012","8.4759","0.0006","90","","90","","90","","1046.24","0.13","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Dy N2 O8 -","- C5 H9 Dy N2 O8 -","- C20 H36 Dy4 N8 O32 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.0176","0.0169","","","0.0363","0.0366","","","","","","1.001","","","","has coordinates","265303","2021-05-18","09:23:48",""
"1562664","6.6539","0.0005","18.3606","0.0016","8.433","0.0007","90","","90","","90","","1030.26","0.15","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 Er N2 O8 -","- C5 H9 Er N2 O8 -","- C20 H36 Er4 N8 O32 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.0217","0.0207","","","0.0435","0.0437","","","","","","1.013","","","","has coordinates","265303","2021-05-18","09:23:48",""
"1562665","6.6291","0.0006","18.2549","0.0017","8.3983","0.0008","90","","90","","90","","1016.31","0.16","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C5 H9 N2 O8 Yb -","- C5 H9 N2 O8 Yb -","- C20 H36 N8 O32 Yb4 -","4","0.5","","Ma, Xue; Tian, Jing; Yang, Hong-Y.; Zhao, Kai; Li, Xia","3D Rare earth porous coordination frameworks with formamide generated in situ syntheses: Crystal structure and down- and up-conversion luminescence","Journal of Solid State Chemistry","2013","201","","172","177","10.1016/j.jssc.2013.02.015","","","0.71073","MoKα","","0.0158","0.0153","","","0.0339","0.034","","","","","","1.083","","","","has coordinates","265303","2021-05-18","09:23:48",""
"1562666","5.5403","0.0003","5.8049","0.0003","7.9761","0.0004","90","","90.02","0.002","90","","256.52","0.02","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Ca3OsO6","","","- Ca3 O6 Os -","- Ca3 O6 Os -","- Ca6 O12 Os2 -","2","0.5","","Feng, Hai Luke; Shi, Youguo; Guo, Yanfeng; Li, Jun; Sato, Akira; Sun, Ying; Wang, Xia; Yu, Shan; Sathish, Clastin I.; Yamaura, Kazunari","High-pressure crystal growth and electromagnetic properties of 5d double-perovskite Ca3OsO6","Journal of Solid State Chemistry","2013","201","","186","190","10.1016/j.jssc.2013.02.037","","","0.71073","MoKα","","0.039","0.0316","","","0.0749","0.0776","","","","","","1.118","","","","has coordinates","265304","2021-05-18","09:27:16",""
"1562667","7.5524","0.0009","14.0579","0.0019","9.973","0.0013","90","","96.162","0.011","90","","1052.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 Cd I N6 O2 -","- C5 H7 Cd I N6 O2 -","- C20 H28 Cd4 I4 N24 O8 -","4","1","","Chen, Hui-Fen; Yang, Wen-Bin; Lin, Lang; Guo, Xiang-Guang; Dui, Xue-jing; Wu, Xiao-Yuan; Lu, Can-Zhong; Zhang, Cui-Juan","Cadmium(II) and Copper(II) coordination polymers based on 5-(Pyrazinyl) tetrazolate ligand: Structure, photoluminescence, theoretical calculations and magnetism","Journal of Solid State Chemistry","2013","201","","215","221","10.1016/j.jssc.2013.02.038","","","0.71073","MoKα","","0.0334","0.0275","","","0.0593","0.0626","","","","","","1.004","","","","has coordinates","265305","2021-05-18","09:32:55",""
"1562668","15.036","0.007","14.407","0.007","12.944","0.006","90","","101.948","0.017","90","","2743","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","'C10 H8 Cu N12 O'","","- C10 H8 Cu N12 O -","- C10 H8 Cu N12 O -","- C80 H64 Cu8 N96 O8 -","8","1","","Chen, Hui-Fen; Yang, Wen-Bin; Lin, Lang; Guo, Xiang-Guang; Dui, Xue-jing; Wu, Xiao-Yuan; Lu, Can-Zhong; Zhang, Cui-Juan","Cadmium(II) and Copper(II) coordination polymers based on 5-(Pyrazinyl) tetrazolate ligand: Structure, photoluminescence, theoretical calculations and magnetism","Journal of Solid State Chemistry","2013","201","","215","221","10.1016/j.jssc.2013.02.038","","","0.71073","MoKα","","0.0705","0.0571","","","0.1348","0.1465","","","","","","1.058","","","","has coordinates","265305","2021-05-18","09:32:56",""
"1562669","10.017","0.0009","10.017","0.0009","10.017","0.0009","90","","90","","90","","1005.11","0.16","293","","293","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Cd10.492 Pd2 -","- Cd10.482 Pd2 -","- Cd41.928 Pd8 -","4","0.0833333","","Jana, Partha Pratim; Lidin, Sven","Pd2Cd11− (0.21≤δ≤0.51)‒a partly disordered γ-brass type phase and Pd0.238Cd0.762-a γ-brass related incommensurate phase in the palladium‒cadmium system","Journal of Solid State Chemistry","2013","201","","244","249","10.1016/j.jssc.2013.01.044","","x-ray","0.7107","","","0.0399","0.0381","","0.0853","0.0849","","","","1.99","2.03","2.03","","","","","has coordinates","265306","2021-05-18","09:42:13",""
"1562670","9.9593","0.0003","9.9593","0.0003","9.9593","0.0003","90","","90","","90","","987.84","0.05","293","","293","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Cd10.502 Pd2 -","- Cd10.503 Pd2 -","- Cd42.012 Pd8 -","4","0.0833333","","Jana, Partha Pratim; Lidin, Sven","Pd2Cd11− (0.21≤δ≤0.51)‒a partly disordered γ-brass type phase and Pd0.238Cd0.762-a γ-brass related incommensurate phase in the palladium‒cadmium system","Journal of Solid State Chemistry","2013","201","","244","249","10.1016/j.jssc.2013.01.044","","x-ray","0.7107","","","0.0193","0.0186","","0.0473","0.0469","","","","1.48","1.49","1.49","","","","","has coordinates","265306","2021-05-18","09:42:13",""
"1562671","9.955","0.0002","9.955","0.0002","9.955","0.0002","90","","90","","90","","986.56","0.03","293","","293","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Cd10.598 Pd2 -","- Cd10.5995 Pd2 -","- Cd42.398 Pd8 -","4","0.0833333","","Jana, Partha Pratim; Lidin, Sven","Pd2Cd11− (0.21≤δ≤0.51)‒a partly disordered γ-brass type phase and Pd0.238Cd0.762-a γ-brass related incommensurate phase in the palladium‒cadmium system","Journal of Solid State Chemistry","2013","201","","244","249","10.1016/j.jssc.2013.01.044","","x-ray","0.7107","","","0.0195","0.0189","","0.0513","0.0511","","","","1.91","1.92","1.92","","","","","has coordinates","265306","2021-05-18","09:42:13",""
"1562672","9.9626","0.0003","9.9626","0.0003","9.9626","0.0003","90","","90","","90","","988.82","0.05","293","","293","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Cd10.725 Pd2 -","- Cd10.7255 Pd2 -","- Cd42.902 Pd8 -","4","0.0833333","","Jana, Partha Pratim; Lidin, Sven","Pd2Cd11− (0.21≤δ≤0.51)‒a partly disordered γ-brass type phase and Pd0.238Cd0.762-a γ-brass related incommensurate phase in the palladium‒cadmium system","Journal of Solid State Chemistry","2013","201","","244","249","10.1016/j.jssc.2013.01.044","","x-ray","0.7107","","","0.0231","0.0229","","0.0688","0.0686","","","","1.64","1.64","1.64","","","","","has coordinates","265306","2021-05-18","09:42:14",""
"1562673","9.9969","0.0003","9.9969","0.0003","9.9969","0.0003","90","","90","","90","","999.07","0.05","293","","293","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Cd10.787 Pd2 -","- Cd10.7895 Pd2 -","- Cd43.158 Pd8 -","4","0.0833333","","Jana, Partha Pratim; Lidin, Sven","Pd2Cd11− (0.21≤δ≤0.51)‒a partly disordered γ-brass type phase and Pd0.238Cd0.762-a γ-brass related incommensurate phase in the palladium‒cadmium system","Journal of Solid State Chemistry","2013","201","","244","249","10.1016/j.jssc.2013.01.044","","x-ray","0.7107","","","0.0191","0.0181","","0.0497","0.0491","","","","1.65","1.66","1.66","","","","","has coordinates","265306","2021-05-18","09:42:14",""
"1562674","4.687","0.002","9.9995","0.0014","14.14","0.002","90","","90","","90","","662.7","0.3","293","","293","","","","","","","","","2","F m m m","-F 2 2","69","","","","- Cd6.589 Pd2.054 -","- Cd6.96 Pd2.04 -","- Cd27.84 Pd8.16 -","4","0.125","","Jana, Partha Pratim; Lidin, Sven","Pd2Cd11− (0.21≤δ≤0.51)‒a partly disordered γ-brass type phase and Pd0.238Cd0.762-a γ-brass related incommensurate phase in the palladium‒cadmium system","Journal of Solid State Chemistry","2013","201","","244","249","10.1016/j.jssc.2013.01.044","","x-ray","0.7107","","","0.0885","0.0574","","0.1622","0.1456","","","","1.47","1.58","1.58","","","","","has coordinates","265306","2021-05-18","09:42:14",""
"1562697","21.649","0.011","21.649","0.011","17.193","0.011","90","","90","","120","","6978","7","571","2","571","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- B9 Li O15 Pb -","- B9 Li O15 Pb -","- B216 Li24 O360 Pb24 -","24","1.33333","","Xia, M.J.; Li, R.K.","Crystal structure, growth and characterization of LiPbB9O15: A new congruent melting nonlinear optical crystal","Journal of Solid State Chemistry","2013","201","","288","292","10.1016/j.jssc.2013.03.001","","","0.71073","MoKα","","0.0452","0.0382","","","0.0721","0.0746","","","","","","1.113","","","","has coordinates","265357","2021-05-20","07:26:22",""
"1562698","14.74","0.003","7.292","0.0015","7.574","0.0015","90","","111.61","0.03","90","","756.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2.5 H2.5 N2.5 O2.5 -","- C2.5 H2.5 N2.5 O2.5 -","- C20 H20 N20 O20 -","8","1","","Liu, Jin-jian; Liu, Zu-Liang; Cheng, Jian; Fang, Dong","Synthesis, crystal structure and catalytic effect on thermal decomposition of RDX and AP: An energetic coordination polymer [Pb2(C5H3N5O5)2(NMP)·NMP]","Journal of Solid State Chemistry","2013","200","","43","48","10.1016/j.jssc.2013.01.014","","","0.71073","MoKα","","0.0638","0.0493","","","0.1482","0.1625","","","","","","1.007","","","","has coordinates","265358","2021-05-20","07:36:58",""
"1562699","13.1297","0.0003","13.1297","0.0003","16.7858","0.0008","90","","90","","90","","2893.69","0.17","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C20 H24 N12 O12 Pb2 -","- C20 H24 N12 O12 Pb2 -","- C80 H96 N48 O48 Pb8 -","4","1","","Liu, Jin-jian; Liu, Zu-Liang; Cheng, Jian; Fang, Dong","Synthesis, crystal structure and catalytic effect on thermal decomposition of RDX and AP: An energetic coordination polymer [Pb2(C5H3N5O5)2(NMP)·NMP]","Journal of Solid State Chemistry","2013","200","","43","48","10.1016/j.jssc.2013.01.014","","","0.71073","MoKα","","0.0454","0.0387","","","0.0785","0.0827","","","","","","1.006","","","","has coordinates","265358","2021-05-20","07:37:10",""
"1562700","13.3326","0.0003","22.457","0.0005","21.9599","0.0005","90","","115.905","0.001","90","","5914.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 Mo12 N12 O42 Si -","- C27 H41 Mo12 N12 O42 Si -","- C108 H164 Mo48 N48 O168 Si4 -","4","1","","Deng, Qian; Huang, Yilan; Peng, Zhenshan; Dai, Zengjin; Lin, Minru; Cai, Tiejun","Crystal structure and catalytic properties of three inorganic‒organic hybrid constructed from heteropolymolybdate and aminopyridine","Journal of Solid State Chemistry","2013","200","","60","69","10.1016/j.jssc.2013.01.003","","","0.71073","MoKα","","0.0518","0.0441","","","0.1161","0.1195","","","","","","1.129","","","","has coordinates","265360","2021-05-20","07:42:27",""
"1562701","14.3504","0.0002","14.3504","0.0002","29.0183","0.0006","90","","90","","90","","5975.85","0.17","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C25 H47 Mo12 N11 O46 Si -","- C25 H47 Mo12 N11 O46 Si -","- C100 H188 Mo48 N44 O184 Si4 -","4","0.5","","Deng, Qian; Huang, Yilan; Peng, Zhenshan; Dai, Zengjin; Lin, Minru; Cai, Tiejun","Crystal structure and catalytic properties of three inorganic–organic hybrid constructed from heteropolymolybdate and aminopyridine","Journal of Solid State Chemistry","2013","200","","60","69","10.1016/j.jssc.2013.01.003","","","0.71073","MoKα","","0.0784","0.0484","","","0.1268","0.1462","","","","","","1.082","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1562702","21.584","0.004","21.584","0.004","10.475","0.004","90","","90","","120","","4226","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H42 Mo12 N12 O40 Si -","- C30 H42 Mo12 N12 O40 Si -","- C90 H126 Mo36 N36 O120 Si3 -","3","0.166667","","Deng, Qian; Huang, Yilan; Peng, Zhenshan; Dai, Zengjin; Lin, Minru; Cai, Tiejun","Crystal structure and catalytic properties of three inorganic‒organic hybrid constructed from heteropolymolybdate and aminopyridine","Journal of Solid State Chemistry","2013","200","","60","69","10.1016/j.jssc.2013.01.003","","","0.71073","MoKα","","0.0704","0.0632","","","0.1689","0.1756","","","","","","1.008","","","","has coordinates,has disorder","265360","2021-05-20","07:42:28",""
"1562703","6.8414","0.0004","9.444","0.0005","10.4203","0.0005","116.501","0.0019","92.729","0.002","90.778","0.003","601.38","0.06","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H11 F4 N3 O V -","- C10 H11 F4 N3 O V -","- C20 H22 F8 N6 O2 V2 -","2","1","","Lu, Hongcheng; Gautier, Romain; Li, Zuo-Xi; Jie, Wanqi; Liu, Zhengtang; Poeppelmeier, Kenneth R.","The dimeric [V2O2F8]4− anion: Structural characterization of a magnetic basic-building-unit","Journal of Solid State Chemistry","2013","200","","105","109","10.1016/j.jssc.2013.01.021","","x-ray","0.71069","MoKα","","0.0395","0.0356","","","0.0961","0.0988","","","","","","1.046","","","","has coordinates","265361","2021-05-20","07:48:49",""
"1562704","4.9972","0.0001","11.0259","0.0003","17.4912","0.0005","90","","90","","90","","963.74","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","copper molybdate lyonsite","","","- Cu3.83 Mo3 O12 -","- Cu3.815 Mo3 O12 -","- Cu15.26 Mo12 O48 -","4","1","","Raw, Adam D.; Ibers, James A.; Poeppelmeier, Kenneth R.","Improved synthesis and characterization of the copper Lyonsite-type compound Cu4−xMo3O12","Journal of Solid State Chemistry","2013","200","","165","169","10.1016/j.jssc.2013.01.017","","","0.71073","MoKα","","0.0204","0.0198","","","0.0502","0.0504","","","","","","1.499","","","","has coordinates","265362","2021-05-20","08:02:10",""
"1562705","9.9653","0.0015","10.5546","0.0015","14.521","0.002","85.115","0.003","77.177","0.003","74.563","0.003","1434.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H54 Ag4 N12 O14 -","- C60 H54 Ag4 N12 O14 -","- C60 H54 Ag4 N12 O14 -","1","0.5","","Duan, Xian-Ying; Yao, Jing; Lu, Chang-Sheng; Meng, Qing-Jin","A novel polythreading Ag(I) coordination polymer with blue photoluminescence","Journal of Solid State Chemistry","2013","200","","197","201","10.1016/j.jssc.2013.01.029","","","0.71073","MoKα","","0.0705","0.052","","","0.1003","0.1091","","","","","","1.013","","","","has coordinates","265363","2021-05-20","08:06:52",""
"1562706","7.73734","0.00006","13.606","0.0011","6.29592","0.00005","90","","99.0077","0.0008","90","","654.62","0.05","25","","25","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ag2 O8 P2 V -","- Ag2 O8 P2 V -","- Ag8 O32 P8 V4 -","4","1","","Takeuchi, Esther S.; Lee, Chia-Ying; Cheng, Po-Jen; Menard, Melissa C.; Marschilok, Amy C.; Takeuchi, Kenneth J.","Silver vanadium diphosphate Ag2VP2O8: Electrochemistry and characterization of reduced material providing mechanistic insights","Journal of Solid State Chemistry","2013","200","","232","240","10.1016/j.jssc.2013.01.020","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.08389","","1.41","","","","","","","has coordinates","265364","2021-05-20","08:13:56",""
"1562707","13.5616","0.0008","4.1159","0.0002","9.3548","0.0006","90","","115.891","0.004","90","","469.76","0.05","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba2 Cu2 S5 Th -","- Ba2 Cu2 S5 Th -","- Ba4 Cu4 S10 Th2 -","2","0.25","","Mesbah, Adel; Lebègue, Sébastien; Klingsporn, Jordan M.; Stojko, Wojciech; Van Duyne, Richard P.; Ibers, James A.","Synthesis, crystal structure, and optical properties of Ba2Cu2ThS5, and electronic structures of Ba2Cu2ThS5 and Ba2Cu2US5","Journal of Solid State Chemistry","2013","200","","349","353","10.1016/j.jssc.2013.01.016","","","0.71073","MoKα","","0.031","0.0238","","","0.0458","0.0477","","","","","","1.154","","","","has coordinates","265365","2021-05-20","08:23:25",""
"1562708","18.076","0.002","5.4223","0.0007","22.867","0.002","90","","125.587","0.007","90","","1822.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Bi9 Br O18 P2 -","- Bi9 Br O18 P2 -","- Bi36 Br4 O72 P8 -","4","1","","Kozin, Michael S.; Aliev, Almaz; Colmont, Marie; Mentré, Olivier; Siidra, Oleg I.; Krivovichev, Sergey V.","Novel bismuth oxophosphate halides [Bi8O8][BiO2](PO4)2X (X=Cl, Br) based on oxocentered 2D blocks and their relationships to the Aurivillius phases","Journal of Solid State Chemistry","2013","199","","56","61","10.1016/j.jssc.2012.11.028","","","0.71073","MoKα","","0.064","0.0333","","","0.0555","0.0682","","","","","","1.008","","","","has coordinates","265366","2021-05-20","08:31:54",""
"1562709","17.9512","0.0006","5.3972","0.0002","22.9264","0.0006","90","","125.708","0.002","90","","1803.66","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Bi9 Cl O18 P2 -","- Bi9 Cl O18 P2 -","- Bi36 Cl4 O72 P8 -","4","1","","Kozin, Michael S.; Aliev, Almaz; Colmont, Marie; Mentré, Olivier; Siidra, Oleg I.; Krivovichev, Sergey V.","Novel bismuth oxophosphate halides [Bi8O8][BiO2](PO4)2X (X=Cl, Br) based on oxocentered 2D blocks and their relationships to the Aurivillius phases","Journal of Solid State Chemistry","2013","199","","56","61","10.1016/j.jssc.2012.11.028","","","0.71073","MoKα","","0.0414","0.0246","","","0.0409","0.0448","","","","","","1.011","","","","has coordinates","265366","2021-05-20","08:31:56",""
"1562710","5.21143","0.0003","8.9288","0.0004","5.17679","0.0003","90","","110.783","0.0033","90","","225.21","0.02","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Li4.02 O6 Te Zn0.98 -","- Li4.025 O6 Te Zn0.975 -","- Li8.05 O12 Te2 Zn1.95 -","2","0.25","","Nalbandyan, V.B.; Avdeev, M.; Evstigneeva, M.A.","Crystal structure of Li4ZnTeO6 and revision of Li3Cu2SbO6","Journal of Solid State Chemistry","2013","199","","62","65","10.1016/j.jssc.2012.11.027","","","","","","","","","","","","","","1.94","","","","","","","has coordinates","265367","2021-05-20","08:40:55",""
"1562711","11.832","0.002","11.973","0.002","20.593","0.004","89.23","0.03","81.65","0.03","62.95","0.03","2566","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- Co2 H44 K0.5 Mn Na2.5 O60 V13 -","- Co2 K0.5 Mn Na2.5 O60 V13 -","- Co4 K Mn2 Na5 O120 V26 -","2","1","","Lan, Qing; Tan, Huaqiao; Liu, Ding; Wang, Enbo","A series of inorganic aggregates composed of [MnV13O38]7− polyoxoanions and transition metal cations","Journal of Solid State Chemistry","2013","199","","129","133","10.1016/j.jssc.2012.12.005","","","0.71073","MoKα","","0.0766","0.0547","","","0.1441","0.1611","","","","","","0.991","","","","has coordinates,has disorder","265368","2021-05-20","08:54:03",""
"1562712","11.871","0.002","12.102","0.002","20.648","0.004","89.37","0.03","81.5","0.03","62.72","0.03","2602","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- H44 K1.5 Mn3 Na1.5 O60 V13 -","- K1.5 Mn3 Na1.5 O60 V13 -","- K3 Mn6 Na3 O120 V26 -","2","1","","Lan, Qing; Tan, Huaqiao; Liu, Ding; Wang, Enbo","A series of inorganic aggregates composed of [MnV13O38]7− polyoxoanions and transition metal cations","Journal of Solid State Chemistry","2013","199","","129","133","10.1016/j.jssc.2012.12.005","","","0.71073","MoKα","","0.0942","0.0639","","","0.1632","0.1827","","","","","","1.07","","","","has coordinates","265368","2021-05-20","08:54:12",""
"1562713","11.871","0.002","11.972","0.002","20.475","0.004","89.45","0.03","81.65","0.03","62.78","0.03","2554.9","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- H44 K0.5 Mn Na2.5 Ni2 O60 V13 -","- K0.5 Mn Na2.5 Ni2 O60 V13 -","- K Mn2 Na5 Ni4 O120 V26 -","2","1","","Lan, Qing; Tan, Huaqiao; Liu, Ding; Wang, Enbo","A series of inorganic aggregates composed of [MnV13O38]7− polyoxoanions and transition metal cations","Journal of Solid State Chemistry","2013","199","","129","133","10.1016/j.jssc.2012.12.005","","","0.71073","MoKα","","0.1539","0.0813","","","0.1918","0.2398","","","","","","1.014","","","","has coordinates,has disorder","265368","2021-05-20","08:54:26",""
"1562714","21.868","0.0013","17.7441","0.001","16.8275","0.001","90","","90","","90","","6529.5","0.7","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C40 H30 Cu4 N10 O40 Si W12 -","- C40 H30 Cu4 N10 O40 Si W12 -","- C160 H120 Cu16 N40 O160 Si4 W48 -","4","1","","Chi, Ying-Nan; Cui, Feng-Yun; Lin, Zheng-Guo; Xu, Yan; Ma, Xiao-Yu; Shen, Pan-Pan; Huang, Kun-Lin; Hu, Chang-Wen","Assembly of Cu/Ag-quinoxaline-polyoxotungstate hybrids: Influence of Keggin and Wells‒Dawson polyanions on the structure","Journal of Solid State Chemistry","2013","199","","230","239","10.1016/j.jssc.2012.12.032","","","0.71073","MoKα","","0.0631","0.0548","","","0.129","0.1333","","","","","","1.067","","","","has coordinates","265369","2021-05-20","09:04:10",""
"1562715","14.054","0.003","27.204","0.005","25.591","0.005","90","","90","","90","","9784","3","293","2","293","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C96 H0 Ag12 N24 O140 P4 W36 -","- C96 Ag12 N24 O140 P4 W36 -","- C192 Ag24 N48 O280 P8 W72 -","2","0.125","","Chi, Ying-Nan; Cui, Feng-Yun; Lin, Zheng-Guo; Xu, Yan; Ma, Xiao-Yu; Shen, Pan-Pan; Huang, Kun-Lin; Hu, Chang-Wen","Assembly of Cu/Ag-quinoxaline-polyoxotungstate hybrids: Influence of Keggin and Wells‒Dawson polyanions on the structure","Journal of Solid State Chemistry","2013","199","","230","239","10.1016/j.jssc.2012.12.032","","","0.71073","MoKα","","0.1053","0.0732","","","0.1885","0.2119","","","","","","1.171","","","","has coordinates,has disorder","265369","2021-05-20","09:04:14",""
"1562716","12.3038","0.0013","14.0585","0.0014","19.6629","0.0018","83.498","0.002","74.466","0.001","71.509","0.001","3106.2","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 Ag8 N16 O84 Si2 W24 -","- C64 H56 Ag8 N16 O84 Si2 W24 -","- C64 H56 Ag8 N16 O84 Si2 W24 -","1","0.5","","Chi, Ying-Nan; Cui, Feng-Yun; Lin, Zheng-Guo; Xu, Yan; Ma, Xiao-Yu; Shen, Pan-Pan; Huang, Kun-Lin; Hu, Chang-Wen","Assembly of Cu/Ag-quinoxaline-polyoxotungstate hybrids: Influence of Keggin and Wells–Dawson polyanions on the structure","Journal of Solid State Chemistry","2013","199","","230","239","10.1016/j.jssc.2012.12.032","","","0.71073","MoKα","","0.0843","0.0789","","","0.1728","0.1755","","","","","","1.133","","","","has coordinates","288646","2024-01-03","15:10:25",""
"1562718","12.1193","0.0011","12.1193","0.0011","14.8934","0.0017","90","","90","","120","","1894.4","0.3","100","2","100","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba3.69 S6 U -","- Ba3.694 S6 U -","- Ba22.164 S36 U6 -","6","0.166667","","Mesbah, Adel; Ibers, James A.","Syntheses and crystal structures of three barium uranium sulfides","Journal of Solid State Chemistry","2013","199","","253","257","10.1016/j.jssc.2012.12.023","","","0.71073","MoKα","","0.0189","0.0157","","","0.0314","0.032","","","","","","1.242","","","","has coordinates","265370","2021-05-20","09:09:56",""
"1562719","8.4335","0.0004","7.5037","0.0003","11.7695","0.0005","90","","90.613","0.002","90","","744.76","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ba S5 U2 -","- Ba S5 U2 -","- Ba4 S20 U8 -","4","1","","Mesbah, Adel; Ibers, James A.","Syntheses and crystal structures of three barium uranium sulfides","Journal of Solid State Chemistry","2013","199","","253","257","10.1016/j.jssc.2012.12.023","","","0.71073","MoKα","","0.0291","0.0236","","","0.0448","0.0463","","","","","","1.033","","","","has coordinates","265370","2021-05-20","09:09:56",""
"1562720","7.4791","0.0006","10.326","0.001","7.1722","0.0006","90","","90","","90","","553.9","0.08","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba S3 U -","- Ba S3 U -","- Ba4 S12 U4 -","4","0.5","","Mesbah, Adel; Ibers, James A.","Syntheses and crystal structures of three barium uranium sulfides","Journal of Solid State Chemistry","2013","199","","253","257","10.1016/j.jssc.2012.12.023","","","0.71073","MoKα","","0.0333","0.0242","","","0.0533","0.0565","","","","","","1.116","","","","has coordinates","265370","2021-05-20","09:09:56",""
"1562721","10.643","0.003","20.613","0.004","10.78","0.003","90","","114.144","0.007","90","","2158.1","1","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Co Hg N6 S5 Sb2 -","- C8 H21 Co Hg N6 S5 Sb2 -","- C32 H84 Co4 Hg4 N24 S20 Sb8 -","4","1","","Tang, Weiwei; Tang, Chunying; Wang, Fang; Chen, Ruihong; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses, crystal structures, and properties of new mercury(II)‒thioantimonates(III) and a mixed-valent thioantimonate(III,V)","Journal of Solid State Chemistry","2013","199","","287","294","10.1016/j.jssc.2012.12.035","","","0.71073","MoKα","","0.0464","0.0314","","","0.0811","0.0969","","","","","","1.117","","","","has coordinates","265371","2021-05-20","09:15:36",""
"1562722","10.5862","0.0011","20.619","0.0018","10.761","0.0011","90","","114.015","0.002","90","","2145.6","0.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Hg N6 Ni S5 Sb2 -","- C8 H26 Hg N6 Ni S5 Sb2 -","- C32 H104 Hg4 N24 Ni4 S20 Sb8 -","4","1","","Tang, Weiwei; Tang, Chunying; Wang, Fang; Chen, Ruihong; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses, crystal structures, and properties of new mercury(II)‒thioantimonates(III) and a mixed-valent thioantimonate(III,V)","Journal of Solid State Chemistry","2013","199","","287","294","10.1016/j.jssc.2012.12.035","","","0.71073","MoKα","","0.0436","0.0355","","","0.0735","0.0795","","","","","","1.105","","","","has coordinates","265371","2021-05-20","09:15:48",""
"1562723","7.0893","0.0016","28.258","0.006","7.9381","0.0018","90","","98.424","0.005","90","","1573.1","0.6","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H15 Hg N3 S14 Sb8 -","- C4 Hg N3 S14 Sb8 -","- C8 Hg2 N6 S28 Sb16 -","2","0.5","","Tang, Weiwei; Tang, Chunying; Wang, Fang; Chen, Ruihong; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses, crystal structures, and properties of new mercury(II)‒thioantimonates(III) and a mixed-valent thioantimonate(III,V)","Journal of Solid State Chemistry","2013","199","","287","294","10.1016/j.jssc.2012.12.035","","","0.71073","MoKα","","0.04","0.0332","","","0.0737","0.0832","","","","","","1.074","","","","has coordinates","265371","2021-05-20","09:15:49",""
"1562724","11.6855","0.0012","11.2986","0.0011","30.825","0.003","90","","96.217","0.002","90","","4045.9","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 Co2 N12 S9 Sb4 -","- C16 H37 Co2 N12 S9 Sb4 -","- C64 H148 Co8 N48 S36 Sb16 -","4","1","","Tang, Weiwei; Tang, Chunying; Wang, Fang; Chen, Ruihong; Zhang, Yong; Jia, Dingxian","Solvothermal syntheses, crystal structures, and properties of new mercury(II)‒thioantimonates(III) and a mixed-valent thioantimonate(III,V)","Journal of Solid State Chemistry","2013","199","","287","294","10.1016/j.jssc.2012.12.035","","","0.71073","MoKα","","0.0441","0.039","","","0.0833","0.0857","","","","","","1.087","","","","has coordinates","265371","2021-05-20","09:15:49",""
"1562725","16.916","0.004","4.4972","0.0011","7.2252","0.0017","90","","113.147","0.002","90","","505.4","0.2","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- As4 Ba3 Zn2 -","- As4 Ba3 Zn2 -","- As8 Ba6 Zn4 -","2","0.25","","Wang, Jian; Xia, Sheng-Qing; Tao, Xu-Tang","Syntheses, crystal structure and physical properties of new Zintl phases Ba3T2As4 (T=Zn, Cd)","Journal of Solid State Chemistry","2013","198","","6","9","10.1016/j.jssc.2012.09.029","","","0.71073","MoKα","","0.0277","0.0211","","","0.0442","0.0465","","","","","","1.013","","","","has coordinates","265372","2021-05-20","09:25:51",""
"1562726","17.089","0.003","4.6076","0.0007","7.3039","0.0011","90","","112.312","0.001","90","","532.05","0.15","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- As4 Ba3 Cd2 -","- As4 Ba3 Cd2 -","- As8 Ba6 Cd4 -","2","0.25","","Wang, Jian; Xia, Sheng-Qing; Tao, Xu-Tang","Syntheses, crystal structure and physical properties of new Zintl phases Ba3T2As4 (T=Zn, Cd)","Journal of Solid State Chemistry","2013","198","","6","9","10.1016/j.jssc.2012.09.029","","","0.71073","MoKα","","0.0323","0.0239","","","0.0425","0.0453","","","","","","1.01","","","","has coordinates","265372","2021-05-20","09:25:51",""
"1562727","14.3616","0.0014","16.655","0.0017","17.799","0.0018","103.481","0.002","105.138","0.002","103.763","0.002","3788.6","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H53 Fe6 N10 Na0.5 O77 W18 -","- C13 H42 Fe6 N10 Na O73.25 W18 -","- C26 H84 Fe12 N20 Na2 O146.5 W36 -","2","1","","Zhang, Dongdi; Wang, Chunzhang; Li, Suzhi; Liu, Jiangping; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Syntheses, characterization and magnetic properties of two novel inorganic‒organic tungstoferrites, [FeIII4(H2O)2(B-α-FeIIIW9O34)2]10−","Journal of Solid State Chemistry","2013","198","","18","23","10.1016/j.jssc.2012.09.013","","","0.71073","MoKα","","0.1099","0.0469","","","0.0796","0.0925","","","","","","0.898","","","","has coordinates","265373","2021-05-20","09:33:11",""
"1562728","13.6489","0.0006","17.7829","0.0008","20.4765","0.0009","113.095","0.001","91.688","0.001","104.073","0.001","4390.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H76 Fe6 N10 O81 W18 -","- C15 H49 Fe6 N10 O81 W18 -","- C30 H98 Fe12 N20 O162 W36 -","2","1","","Zhang, Dongdi; Wang, Chunzhang; Li, Suzhi; Liu, Jiangping; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Syntheses, characterization and magnetic properties of two novel inorganic‒organic tungstoferrites, [FeIII4(H2O)2(B-α-FeIIIW9O34)2]10−","Journal of Solid State Chemistry","2013","198","","18","23","10.1016/j.jssc.2012.09.013","","","0.71073","MoKα","","0.0728","0.05","","","0.1118","0.1211","","","","","","1.011","","","","has coordinates","265373","2021-05-20","09:33:11",""
"1562729","5.352","0.0011","9.27","0.0019","12.145","0.002","90","","98.35","0.03","90","","596.2","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","one-layer hydrate sodium brittle mica","","","- Al1.65 F2 Mg3 Na1.65 O13 Si2.35 -","- Al1.702 F2 Mg3 Na1.7 O13 Si2.312 -","- Al3.404 F4 Mg6 Na3.4 O26 Si4.624 -","2","0.5","","Kalo, Hussein; Milius, Wolfgang; Bräu, Michael; Breu, Josef","Synthesis and single crystal structure refinement of the one-layer hydrate of sodium brittle mica","Journal of Solid State Chemistry","2013","198","","57","64","10.1016/j.jssc.2012.09.026","","","0.71073","MoKα","","0.1522","0.0832","","","0.2107","0.2452","","","","","","0.986","","","","has coordinates","265374","2021-05-20","09:38:06",""
"1562730","12.681","0.003","9.1442","0.0018","9.2423","0.0018","90","","90","","90","","1071.7","0.4","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Ga Sb Se5 -","- Ba2 Ga Sb Se5 -","- Ba8 Ga4 Sb4 Se20 -","4","0.5","","Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai; Yao, Jiyong; Wu, Yicheng","Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5","Journal of Solid State Chemistry","2013","198","","81","86","10.1016/j.jssc.2012.09.034","","","0.71073","MoKα","","0.0391","0.0337","","","0.0716","0.0741","","","","","","1.156","","","","has coordinates","265375","2021-05-20","09:43:08",""
"1562731","12.685","0.003","9.1838","0.0018","9.2435","0.0018","90","","90","","90","","1076.8","0.4","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Bi Ga Se5 -","- Ba2 Bi Ga Se5 -","- Ba8 Bi4 Ga4 Se20 -","4","0.5","","Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai; Yao, Jiyong; Wu, Yicheng","Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5","Journal of Solid State Chemistry","2013","198","","81","86","10.1016/j.jssc.2012.09.034","","","0.71073","MoKα","","0.0336","0.0305","","","0.0708","0.0719","","","","","","1.222","","","","has coordinates","265375","2021-05-20","09:43:10",""
"1562732","13.553","0.003","9.5965","0.0019","9.775","0.002","90","","90","","90","","1271.3","0.5","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Ga Sb Te5 -","- Ba2 Ga Sb Te5 -","- Ba8 Ga4 Sb4 Te20 -","4","0.5","","Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai; Yao, Jiyong; Wu, Yicheng","Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5","Journal of Solid State Chemistry","2013","198","","81","86","10.1016/j.jssc.2012.09.034","","","0.71073","MoKα","","0.0445","0.0363","","","0.0769","0.0798","","","","","","1.173","","","","has coordinates","265375","2021-05-20","09:43:13",""
"1562733","13.638","0.003","9.6803","0.0019","9.857","0.002","90","","90","","90","","1301.3","0.5","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 Bi Ga Te5 -","- Ba2 Bi Ga Te5 -","- Ba8 Bi4 Ga4 Te20 -","4","0.5","","Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai; Yao, Jiyong; Wu, Yicheng","Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5","Journal of Solid State Chemistry","2013","198","","81","86","10.1016/j.jssc.2012.09.034","","","0.71073","MoKα","","0.0708","0.0595","","","0.1252","0.1318","","","","","","1.012","","","","has coordinates","265375","2021-05-20","09:43:14",""
"1562734","4.305","0.0009","18.968","0.004","13.034","0.003","90","","90","","90","","1064.3","0.4","153","2","153","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba2 In Sb Se5 -","- Ba2 In Sb Se5 -","- Ba8 In4 Sb4 Se20 -","4","0.5","","Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai; Yao, Jiyong; Wu, Yicheng","Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5","Journal of Solid State Chemistry","2013","198","","81","86","10.1016/j.jssc.2012.09.034","","","0.71073","MoKα","","0.045","0.0409","","","0.0794","0.081","","","","","","0.901","","","","has coordinates","265375","2021-05-20","09:43:14",""
"1562735","13.782","0.003","4.5732","0.0009","20.184","0.004","90","","90","","90","","1272.2","0.5","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba2 In Sb Te5 -","- Ba2 In Sb Te5 -","- Ba8 In4 Sb4 Te20 -","4","0.5","","Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai; Yao, Jiyong; Wu, Yicheng","Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba2GaMQ5 (M=Sb,Bi; Q=Se,Te), Ba2InSbTe5 and noncentrosymmetric Ba2InSbSe5","Journal of Solid State Chemistry","2013","198","","81","86","10.1016/j.jssc.2012.09.034","","","0.71073","MoKα","","0.0607","0.0414","","","0.0819","0.09","","","","","","1.029","","","","has coordinates","265375","2021-05-20","09:43:14",""
"1562736","13.851","0.003","19.625","0.004","11.026","0.002","90","","110.44","0.03","90","","2808.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H28 Cd F N3 O8 -","- C31 H28 Cd F N3 O8 -","- C124 H112 Cd4 F4 N12 O32 -","4","1","","He, Jiang-Hong; Xiao, Dong-Rong; Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li; Luo, Qun-Li; Wang, En-Bo","A series of 2D metal‒quinolone complexes: Syntheses, structures, and physical properties","Journal of Solid State Chemistry","2013","198","","279","288","10.1016/j.jssc.2012.10.015","","","0.71073","MoKα","","0.0353","0.0285","","","0.0887","0.0949","","","","","","1.006","","","","has coordinates,has disorder","265376","2021-05-20","09:56:04",""
"1562737","13.735","0.004","19.214","0.005","10.834","0.003","90","","108.59","0.011","90","","2710","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cd F N3 O8 -","- C30 H28 Cd F N3 O8 -","- C120 H112 Cd4 F4 N12 O32 -","4","1","","He, Jiang-Hong; Xiao, Dong-Rong; Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li; Luo, Qun-Li; Wang, En-Bo","A series of 2D metal‒quinolone complexes: Syntheses, structures, and physical properties","Journal of Solid State Chemistry","2013","198","","279","288","10.1016/j.jssc.2012.10.015","","","0.71073","MoKα","","0.035","0.0278","","","0.085","0.0897","","","","","","0.997","","","","has coordinates","265376","2021-05-20","09:56:05",""
"1562738","13.7622","0.0006","19.2557","0.0008","10.7325","0.0005","90","","109.629","0.001","90","","2678.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 F Mn N3 O8 -","- C30 H28 F Mn N3 O8 -","- C120 H112 F4 Mn4 N12 O32 -","4","1","","He, Jiang-Hong; Xiao, Dong-Rong; Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li; Luo, Qun-Li; Wang, En-Bo","A series of 2D metal‒quinolone complexes: Syntheses, structures, and physical properties","Journal of Solid State Chemistry","2013","198","","279","288","10.1016/j.jssc.2012.10.015","","","0.71073","MoKα","","0.1138","0.0512","","","0.0941","0.1142","","","","","","1.008","","","","has coordinates","265376","2021-05-20","09:56:05",""
"1562739","10.71","0.002","11.222","0.002","14.017","0.003","78.47","0.03","84.43","0.03","86.55","0.03","1641.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H31 F Mn2 N3 O15.5 -","- C33 H28 F Mn2 N3 O15.5 -","- C66 H56 F2 Mn4 N6 O31 -","2","1","","He, Jiang-Hong; Xiao, Dong-Rong; Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li; Luo, Qun-Li; Wang, En-Bo","A series of 2D metal‒quinolone complexes: Syntheses, structures, and physical properties","Journal of Solid State Chemistry","2013","198","","279","288","10.1016/j.jssc.2012.10.015","","","0.71073","MoKα","","0.0605","0.0534","","","0.1812","0.1907","","","","","","1.167","","","","has coordinates","265376","2021-05-20","09:56:05",""
"1562740","10.3777","0.0008","12.7188","0.001","14.1234","0.0018","105.74","0.001","96.332","0.001","110.813","0.001","1632.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Co2 F N3 O15 -","- C32 H32 Co2 F N3 O15 -","- C64 H64 Co4 F2 N6 O30 -","2","1","","He, Jiang-Hong; Xiao, Dong-Rong; Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li; Luo, Qun-Li; Wang, En-Bo","A series of 2D metal‒quinolone complexes: Syntheses, structures, and physical properties","Journal of Solid State Chemistry","2013","198","","279","288","10.1016/j.jssc.2012.10.015","","","0.71073","MoKα","","0.0773","0.0459","","","0.0939","0.109","","","","","","1.009","","","","has coordinates,has disorder","265376","2021-05-20","09:56:05",""
"1562741","19.5765","0.0019","7.8065","0.0007","26.012","0.003","90","","107.952","0.001","90","","3781.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H74 Co3 F4 N6 O35 -","- C72 H64 Co3 F4 N6 O35 -","- C144 H128 Co6 F8 N12 O70 -","2","0.5","","He, Jiang-Hong; Xiao, Dong-Rong; Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li; Luo, Qun-Li; Wang, En-Bo","A series of 2D metal‒quinolone complexes: Syntheses, structures, and physical properties","Journal of Solid State Chemistry","2013","198","","279","288","10.1016/j.jssc.2012.10.015","","","0.71073","MoKα","","0.0941","0.0652","","","0.183","0.2022","","","","","","1.288","","","","has coordinates,has disorder","265376","2021-05-20","09:56:05",""
"1562758","6.6162","0.0004","6.387","0.0004","9.5572","0.0005","90","","103.379","0.004","90","","392.9","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- As Cu4 K S4 -","- As Cu4 K S4 -","- As2 Cu8 K2 S8 -","2","1","","Yao, Hua-Gang; Ji, Min; Ji, Shou-Hua; An, Yong-Lin","Synthesis, structure and characterization of two new copper(І)-thioarsenates (ІІІ) constructed by the [AsS3]3− and CuSx units","Journal of Solid State Chemistry","2013","198","","289","294","10.1016/j.jssc.2012.08.039","","","0.71073","MoKα","","0.0419","0.0413","","","0.1055","0.1061","","","","","","1.054","","","","has coordinates","265403","2021-05-21","07:15:09",""
"1562759","9.531","0.005","10.433","0.005","13.355","0.007","90","","90","","90","","1328","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- As Cs Cu2 S3 -","- As Cs Cu2 S3 -","- As8 Cs8 Cu16 S24 -","8","1","","Yao, Hua-Gang; Ji, Min; Ji, Shou-Hua; An, Yong-Lin","Synthesis, structure and characterization of two new copper(І)-thioarsenates (ІІІ) constructed by the [AsS3]3− and CuSx units","Journal of Solid State Chemistry","2013","198","","289","294","10.1016/j.jssc.2012.08.039","","","0.71073","MoKα","","0.0408","0.0354","","","0.0885","0.0913","","","","","","1.022","","","","has coordinates","265403","2021-05-21","07:15:10",""
"1562760","4.341","0.0001","10.323","0.0002","7.851","0.00019","90","","90","","90","","351.82","0.014","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","Yb0.95PtIn2","","- In2 Pt Yb0.95 -","- In2 Pt Yb0.95 -","- In8 Pt4 Yb3.8 -","4","0.25","","Malingowski, Andrew C.; Kim, Moosung; Liu, Jue; Wu, Liusuo; Aronson, Meigan C.; Khalifah, Peter G.","Factors governing Yb magnetism in Yb0.95PtIn2 and other MgCuAl2-type structures","Journal of Solid State Chemistry","2013","198","","308","315","10.1016/j.jssc.2012.04.007","","","0.71073","MoKα","","0.0207","0.0193","","","0.0456","0.0464","","","","","","1.146","","","","has coordinates","265404","2021-05-21","07:21:55",""
"1562761","12.173","0.007","12.334","0.006","20.1","0.01","82.352","0.009","86.905","0.009","62.164","0.009","2645","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H66 N22 O87 P2 W24 -","- C38 H58 N22 O87 P2 W24 -","- C38 H58 N22 O87 P2 W24 -","1","0.5","","Wei, Mei-Lin; Wang, Jun-Hua; Wang, Yu-Xia","Two proton-conductive hybrids based on 2,2′-biimidazole molecules and Keggin-type heteropolyacids","Journal of Solid State Chemistry","2013","198","","323","329","10.1016/j.jssc.2012.10.025","","","0.71073","MoKα","","0.0546","0.0403","","","0.0969","0.1032","","","","","","0.963","","","","has coordinates","265405","2021-05-21","07:27:36",""
"1562762","12.1768","0.0006","12.3707","0.0006","20.0112","0.001","82.643","0.001","86.922","0.001","61.93","0.001","2637.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H66 Mo24 N22 O87 P2 -","- C38 H58 Mo24 N22 O87 P2 -","- C38 H58 Mo24 N22 O87 P2 -","1","0.5","","Wei, Mei-Lin; Wang, Jun-Hua; Wang, Yu-Xia","Two proton-conductive hybrids based on 2,2′-biimidazole molecules and Keggin-type heteropolyacids","Journal of Solid State Chemistry","2013","198","","323","329","10.1016/j.jssc.2012.10.025","","","0.71073","MoKα","","0.0304","0.0258","","","0.0601","0.0619","","","","","","1","","","","has coordinates","265405","2021-05-21","07:27:37",""
"1562763","6.3766","0.0008","13.0047","0.0017","8.5089","0.0012","90","","101.063","0.002","90","","692.49","0.16","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H10 Cl N3 O2 Zn -","- C16 H10 Cl N3 O2 Zn -","- C32 H20 Cl2 N6 O4 Zn2 -","2","0.5","","Li, Na; Guo, Hui-Lin; Hu, Huai-Ming; Song, Juan; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Hydrothermal syntheses, crystal structures and luminescence properties of zinc(II) and cadmium(II) coordination polymers based on bifunctional 3,2′:6′,3′′-terpyridine-4′-carboxylic acid","Journal of Solid State Chemistry","2013","198","","416","423","10.1016/j.jssc.2012.10.028","","","0.71073","MoKα","","0.0419","0.0358","","","0.0777","0.0807","","","","","","1.203","","","","has coordinates","279031","2022-11-07","10:58:29",""
"1562764","8.091","0.004","9.239","0.004","11.775","0.007","68.058","0.005","81.922","0.008","78.924","0.006","799","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N6 O10 Zn2 -","- C34 H24 N6 O10 Zn2 -","- C34 H24 N6 O10 Zn2 -","1","0.5","","Li, Na; Guo, Hui-Lin; Hu, Huai-Ming; Song, Juan; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Hydrothermal syntheses, crystal structures and luminescence properties of zinc(II) and cadmium(II) coordination polymers based on bifunctional 3,2′:6′,3′′-terpyridine-4′-carboxylic acid","Journal of Solid State Chemistry","2013","198","","416","423","10.1016/j.jssc.2012.10.028","","","0.71073","MoKα","","0.0557","0.0402","","","0.1063","0.1136","","","","","","1.072","","","","has coordinates","265406","2021-05-21","07:38:41",""
"1562765","8.0055","0.0011","10.1466","0.0013","14.3813","0.0019","95.031","0.002","93.761","0.002","99.255","0.002","1144.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H13 N3 O9.5 Zn2 -","- C25 H13 N3 O9.5 Zn2 -","- C50 H26 N6 O19 Zn4 -","2","1","","Li, Na; Guo, Hui-Lin; Hu, Huai-Ming; Song, Juan; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Hydrothermal syntheses, crystal structures and luminescence properties of zinc(II) and cadmium(II) coordination polymers based on bifunctional 3,2′:6′,3′′-terpyridine-4′-carboxylic acid","Journal of Solid State Chemistry","2013","198","","416","423","10.1016/j.jssc.2012.10.028","","","0.71073","MoKα","","0.0847","0.0661","","","0.0849","0.0884","","","","","","1.716","","","","has coordinates","265406","2021-05-21","07:38:41",""
"1562766","18.893","0.002","10.0024","0.0013","16.358","0.002","90","","113.086","0.002","90","","2843.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cd N6 O5 -","- C32 H22 Cd N6 O5 -","- C128 H88 Cd4 N24 O20 -","4","1","","Li, Na; Guo, Hui-Lin; Hu, Huai-Ming; Song, Juan; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Hydrothermal syntheses, crystal structures and luminescence properties of zinc(II) and cadmium(II) coordination polymers based on bifunctional 3,2′:6′,3′′-terpyridine-4′-carboxylic acid","Journal of Solid State Chemistry","2013","198","","416","423","10.1016/j.jssc.2012.10.028","","","0.71073","MoKα","","0.0883","0.0459","","","0.0844","0.0978","","","","","","1.052","","","","has coordinates","265406","2021-05-21","07:38:42",""
"1562767","9.6819","0.0012","10.3291","0.0012","12.1986","0.0015","98.179","0.002","95.983","0.002","94.619","0.002","1195.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H32 Cd4 N6 O19 -","- C50 H32 Cd4 N6 O19 -","- C50 H32 Cd4 N6 O19 -","1","0.5","","Li, Na; Guo, Hui-Lin; Hu, Huai-Ming; Song, Juan; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Hydrothermal syntheses, crystal structures and luminescence properties of zinc(II) and cadmium(II) coordination polymers based on bifunctional 3,2′:6′,3′′-terpyridine-4′-carboxylic acid","Journal of Solid State Chemistry","2013","198","","416","423","10.1016/j.jssc.2012.10.028","","","0.71073","MoKα","","0.033","0.0299","","","0.078","0.0802","","","","","","1.067","","","","has coordinates","265406","2021-05-21","07:38:42",""
"1562768","7.5596","0.0003","12.2339","0.0005","13.2932","0.0005","90","","92.566","0.004","90","","1228.17","0.08","173.2","0.1","173.2","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 As Cd Cl2 N O5 -","- C6 H12 As Cd Cl2 N O5 -","- C24 H48 As4 Cd4 Cl8 N4 O20 -","4","1","","Lesikar-Parrish, Leslie A.; Neilson, Robert H.; Richards, Anne F.","Metal arsonate polymers of Cd, Zn, Ag and Pb supported by 4-aminophenylarsonic acid","Journal of Solid State Chemistry","2013","198","","424","432","10.1016/j.jssc.2012.10.027","","","0.7107","MoKα","","0.0318","0.0265","","","0.0627","0.0649","","","","","","1.028","","","","has coordinates","265407","2021-05-21","07:48:23",""
"1562769","13.9915","0.0003","13.9915","0.0003","19.816","0.0007","90","","90","","120","","3359.5","0.16","173","2","173.15","","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C36 H54 As6 Cl10 N6 O25 Zn8 -","- C36 H54 As6 Cl10 N6 O25 Zn8 -","- C72 H108 As12 Cl20 N12 O50 Zn16 -","2","0.166667","","Lesikar-Parrish, Leslie A.; Neilson, Robert H.; Richards, Anne F.","Metal arsonate polymers of Cd, Zn, Ag and Pb supported by 4-aminophenylarsonic acid","Journal of Solid State Chemistry","2013","198","","424","432","10.1016/j.jssc.2012.10.027","","","0.71073","MoKα","","0.042","0.038","","","0.103","0.1059","","","","","","1.068","","","","has coordinates","265407","2021-05-21","07:48:26",""
"1562770","8.814","0.003","28.742","0.009","6.1665","0.0018","90","","99.385","0.005","90","","1541.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-p-arsanilicacid,Ag","","","- C12 H15 Ag As2 N2 O6 -","- C12 H15 Ag As2 N2 O6 -","- C48 H60 Ag4 As8 N8 O24 -","4","1","","Lesikar-Parrish, Leslie A.; Neilson, Robert H.; Richards, Anne F.","Metal arsonate polymers of Cd, Zn, Ag and Pb supported by 4-aminophenylarsonic acid","Journal of Solid State Chemistry","2013","198","","424","432","10.1016/j.jssc.2012.10.027","","","0.71073","MoKα","","0.0893","0.0728","","","0.1813","0.1922","","","","","","1.044","","","","has coordinates","265407","2021-05-21","07:48:30",""
"1562771","10.0399","0.0014","9.0692","0.0013","38.628","0.005","90","","94.697","0.003","90","","3505.4","0.8","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","p-arsanilicacid,Agtriflate","","","- C16 H15 Ag2 As2 F12 N2 O18 S4 -","- C16 H15 Ag2 As2 F12 N2 O18 S4 -","- C64 H60 Ag8 As8 F48 N8 O72 S16 -","4","1","","Lesikar-Parrish, Leslie A.; Neilson, Robert H.; Richards, Anne F.","Metal arsonate polymers of Cd, Zn, Ag and Pb supported by 4-aminophenylarsonic acid","Journal of Solid State Chemistry","2013","198","","424","432","10.1016/j.jssc.2012.10.027","","","0.71073","MoKα","","0.1309","0.1123","","","0.2669","0.2769","","","","","","1.168","","","","has coordinates","265407","2021-05-21","07:48:38",""
"1562772","14.93","0.003","7.0687","0.0015","23.611","0.005","90","","90","","90","","2491.8","0.9","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","p-arsanilicacid,Pb(NO3)2","","","- C6 H8 As N3 O9 Pb -","- C6 H8 As N3 O9 Pb -","- C48 H64 As8 N24 O72 Pb8 -","8","1","","Lesikar-Parrish, Leslie A.; Neilson, Robert H.; Richards, Anne F.","Metal arsonate polymers of Cd, Zn, Ag and Pb supported by 4-aminophenylarsonic acid","Journal of Solid State Chemistry","2013","198","","424","432","10.1016/j.jssc.2012.10.027","","","0.71073","MoKα","","0.0609","0.0335","","","0.078","0.1017","","","","","","1.134","","","","has coordinates","265407","2021-05-21","07:48:41",""
"1562773","13.116","0.005","15.76","0.005","14.792","0.005","90","0.005","94.418","0.005","90","0.005","3048.5","1.8","293","2","293","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C30 H41 B Cu2 N6 O48 W12 -","- C30 H24 B Cu2 N6 O48 W12 -","- C60 H48 B2 Cu4 N12 O96 W24 -","2","1","","Pang, Haijun; Yang, Ming; Kang, Lu; Ma, Huiyuan; Liu, Bo; Li, Shaobin; Liu, Heng","An unusual 3D interdigitated architecture assembled from Keggin polyoxometalates and dinuclear copper(II) complexes","Journal of Solid State Chemistry","2013","198","","440","444","10.1016/j.jssc.2012.11.007","","","0.71069","MoKα","","0.0546","0.0432","","","0.0865","0.0925","","","","","","1.032","","","","has coordinates","265408","2021-05-21","07:52:29",""
"1562774","5.8846","0.0008","14.973","0.001","7.7966","0.0005","90","","90","","90","","686.96","0.11","293","","293","","","","","","","","synthesis as described","3","C m c 21","C 2c -2","36","","","","- Al3 Ca2 Si4 -","- Al3 Ca2 Si4 -","- Al12 Ca8 Si16 -","4","0.5","","Tanaka, Masashi; Zhang, Shuai; Tanaka, Yuki; Inumaru, Kei; Yamanaka, Shoji","High pressure synthesis and crystal structure of a ternary superconductor Ca2Al3Si4 containing layer structured calcium sub-network isomorphous with black phosphorus","Journal of Solid State Chemistry","2013","198","","445","451","10.1016/j.jssc.2012.11.011","","x-ray","0.71069","MoKα","","0.034","0.0326","","","0.0907","0.0913","","","","","","1.13","","","","has coordinates","265409","2021-05-21","07:56:20",""
"1562775","11.6802","0.0001","11.6802","0.0001","7.5267","0.0001","90","","90","","90","","1026.85","0.018","296","","296","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.331 -","- Ba Co2 Gd O5.332 -","- Ba9 Co18 Gd9 O47.988 -","9","0.5625","","Ishizawa, N.; Asaka, T.; Kudo, T.; Fukuda, K.; Abe, N.; Arima, T.","Incommensurate structure of GdBaCo2O5+δ (δ∼0.38)","Journal of Solid State Chemistry","2013","198","","532","541","10.1016/j.jssc.2012.11.004","","x-ray","0.71073","MoKα","","0.0278","0.024","","","0.0393","0.0399","","","","2.51","2.51","2.39","","","","has coordinates","265410","2021-05-21","08:04:52",""
"1562776","11.6802","0.0001","11.6802","0.0001","7.5267","0.0001","90","","90","","90","","1026.85","0.018","296","","296","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.331 -","- Ba Co2 Gd O5.33067 -","- Ba9 Co18 Gd9 O47.976 -","9","0.5625","","Ishizawa, N.; Asaka, T.; Kudo, T.; Fukuda, K.; Abe, N.; Arima, T.","Incommensurate structure of GdBaCo2O5+δ (δ∼0.38)","Journal of Solid State Chemistry","2013","198","","532","541","10.1016/j.jssc.2012.11.004","","x-ray","0.71073","MoKα","","0.0306","0.0269","","","0.0421","0.0428","","","","2.69","2.69","2.56","","","","has coordinates","265410","2021-05-21","08:04:52",""
"1562777","3.8934","","3.8934","","7.5267","0.0001","90","","90","","90","","114.094","0.0015","296","","296","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.328 -","- Ba Co2 Gd O5.328 -","- Ba Co2 Gd O5.328 -","1","0.0625","","Ishizawa, N.; Asaka, T.; Kudo, T.; Fukuda, K.; Abe, N.; Arima, T.","Incommensurate structure of GdBaCo2O5+δ (δ∼0.38)","Journal of Solid State Chemistry","2013","198","","532","541","10.1016/j.jssc.2012.11.004","","x-ray","0.71073","MoKα","","0.032","0.0279","","","0.0439","0.0446","","","","2.79","2.79","2.66","","","","has coordinates","265410","2021-05-21","08:04:52",""
"1562778","3.8934","0.0001","3.8934","0.0001","7.5267","0.0001","90","","90","","90","","114.094","0.004","296","","296","","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ba Co2 Gd O5.377 -","- Ba Co2 Gd O5.377 -","- Ba Co2 Gd O5.377 -","1","0.0625","","Ishizawa, N.; Asaka, T.; Kudo, T.; Fukuda, K.; Abe, N.; Arima, T.","Incommensurate structure of GdBaCo2O5+δ (δ∼0.38)","Journal of Solid State Chemistry","2013","198","","532","541","10.1016/j.jssc.2012.11.004","","x-ray","0.71073","MoKα","","0.0328","0.0285","","","0.0455","0.0462","","","","2.9","2.9","2.76","","","","has coordinates","265410","2021-05-21","08:04:52",""
"1562779","5.4693","0.0008","5.4693","0.0008","13.099","0.003","90","","90","","120","","339.34","0.1","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- H5 In O7 P2 -","- H5 In O7 P2 -","- H10 In2 O14 P4 -","2","0.166667","","Li, Huiduan; Zhang, Lirong; Huo, Qisheng; Liu, Yunling","Construction of two novel indium phosphites with (3,6)- and (3,5)-connected frameworks: Synthesis, structure and characterization","Journal of Solid State Chemistry","2013","197","","75","80","10.1016/j.jssc.2012.09.017","","","0.71073","MoKα","","0.0138","0.0135","","","0.0327","0.0327","","","","","","1.293","","","","has coordinates","265411","2021-05-21","08:22:20",""
"1562780","6.5651","0.0013","15.431","0.003","18.157","0.004","90","","90","","90","","1839.4","0.7","293","2","293","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H15 In2 N2 O13 P3 -","- C6 H In2 N2 O13 P3 -","- C24 H4 In8 N8 O52 P12 -","4","0.25","","Li, Huiduan; Zhang, Lirong; Huo, Qisheng; Liu, Yunling","Construction of two novel indium phosphites with (3,6)- and (3,5)-connected frameworks: Synthesis, structure and characterization","Journal of Solid State Chemistry","2013","197","","75","80","10.1016/j.jssc.2012.09.017","","","0.71073","MoKα","","0.0422","0.0398","","","0.1131","0.1151","","","","","","1.17","","","","has coordinates,has disorder","265411","2021-05-21","08:22:21",""
"1562781","22.109","0.003","8.2852","0.0013","17.887","0.003","90","","104.826","0.002","90","","3167.4","0.8","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cd N4 O5 -","- C14 H14 Cd N4 O5 -","- C112 H112 Cd8 N32 O40 -","8","1","","Jin, Jing; Han, Xiao; Meng, Qin; Li, Dan; Chi, Yu-Xian; Niu, Shu-Yun","Syntheses, structures and photoelectric properties of a series of Cd(II)/Zn(II) coordination polymers and coordination supramolecules","Journal of Solid State Chemistry","2013","197","","92","102","10.1016/j.jssc.2012.09.016","","","0.71073","MoKα","","0.0541","0.0366","","","0.0828","0.0918","","","","","","1.03","","","","has coordinates","265412","2021-05-21","08:31:07",""
"1562782","5.5929","0.0014","9.715","0.003","14.502","0.005","101.628","0.003","93.406","0.003","104.912","0.002","740.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H12 Cd2 O14 -","- C10 H12 Cd2 O14 -","- C20 H24 Cd4 O28 -","2","1","","Jin, Jing; Han, Xiao; Meng, Qin; Li, Dan; Chi, Yu-Xian; Niu, Shu-Yun","Syntheses, structures and photoelectric properties of a series of Cd(II)/Zn(II) coordination polymers and coordination supramolecules","Journal of Solid State Chemistry","2013","197","","92","102","10.1016/j.jssc.2012.09.016","","","0.71073","MoKα","","0.0559","0.045","","","0.1689","0.178","","","","","","1.018","","","","has coordinates","265412","2021-05-21","08:31:11",""
"1562783","6.8713","0.0008","14.8689","0.0017","7.9078","0.0009","90","","102.93","0.001","90","","787.44","0.16","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cd N O5 -","- C7 H5 Cd N O5 -","- C28 H20 Cd4 N4 O20 -","4","1","","Jin, Jing; Han, Xiao; Meng, Qin; Li, Dan; Chi, Yu-Xian; Niu, Shu-Yun","Syntheses, structures and photoelectric properties of a series of Cd(II)/Zn(II) coordination polymers and coordination supramolecules","Journal of Solid State Chemistry","2013","197","","92","102","10.1016/j.jssc.2012.09.016","","","0.71073","MoKα","","0.0255","0.0232","","","0.0585","0.0595","","","","","","1.114","","","","has coordinates","265412","2021-05-21","08:31:12",""
"1562784","7.0857","0.0014","8.3323","0.0017","11.449","0.002","107.14","0.03","99.42","0.03","102.75","0.03","610.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H15 N O10 Zn -","- C7 H15 N O10 Zn -","- C14 H30 N2 O20 Zn2 -","2","1","","Jin, Jing; Han, Xiao; Meng, Qin; Li, Dan; Chi, Yu-Xian; Niu, Shu-Yun","Syntheses, structures and photoelectric properties of a series of Cd(II)/Zn(II) coordination polymers and coordination supramolecules","Journal of Solid State Chemistry","2013","197","","92","102","10.1016/j.jssc.2012.09.016","","","0.71073","MoKα","","0.0265","0.0229","","","0.0551","0.0568","","","","","","1.101","","","","has coordinates","265412","2021-05-21","08:31:12",""
"1562785","7.3333","0.0015","9.4304","0.0019","13.835","0.003","90","","90","","90","","956.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N O7 Zn -","- C7 H9 N O7 Zn -","- C28 H36 N4 O28 Zn4 -","4","1","","Jin, Jing; Han, Xiao; Meng, Qin; Li, Dan; Chi, Yu-Xian; Niu, Shu-Yun","Syntheses, structures and photoelectric properties of a series of Cd(II)/Zn(II) coordination polymers and coordination supramolecules","Journal of Solid State Chemistry","2013","197","","92","102","10.1016/j.jssc.2012.09.016","","","0.71073","MoKα","","0.017","0.0165","","","0.0405","0.0406","","","","","","1.098","","","","has coordinates","265412","2021-05-21","08:31:13",""
"1562786","8.141","0.005","9.182","0.005","10.733","0.006","70.832","0.005","71.316","0.006","71.937","0.005","698.8","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H14 Cd N2 O11 P2 -","- C7 H14 Cd N2 O11 P2 -","- C14 H28 Cd2 N4 O22 P4 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Zhao, Xue-Bo","Investigation on three new metal carboxydiphosphonates: Syntheses, structures, magnetic and luminescent properties","Journal of Solid State Chemistry","2013","197","","139","146","10.1016/j.jssc.2012.08.052","","","0.71073","MoKα","","0.0212","0.0208","","","0.0538","0.054","","","","","","1.065","","","","has coordinates","265413","2021-05-21","08:38:29",""
"1562787","7.311","0.002","11.202","0.004","13.026","0.004","107.764","0.003","102.889","0.003","95.178","0.003","975.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H22 Co2 N2 O16 P2 -","- C7 H18 Co2 N2 O16 P2 -","- C14 H36 Co4 N4 O32 P4 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Zhao, Xue-Bo","Investigation on three new metal carboxydiphosphonates: Syntheses, structures, magnetic and luminescent properties","Journal of Solid State Chemistry","2013","197","","139","146","10.1016/j.jssc.2012.08.052","","","0.71073","MoKα","","0.0396","0.0317","","","0.0839","0.0887","","","","","","1.071","","","","has coordinates,has disorder","265413","2021-05-21","08:38:30",""
"1562788","7.4717","0.0015","16.283","0.003","9.5645","0.0019","90","","91.32","0.03","90","","1163.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N2 O8 P2 Zn -","- C7 H8 N2 O8 P2 Zn -","- C28 H32 N8 O32 P8 Zn4 -","4","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Zhao, Xue-Bo","Investigation on three new metal carboxydiphosphonates: Syntheses, structures, magnetic and luminescent properties","Journal of Solid State Chemistry","2013","197","","139","146","10.1016/j.jssc.2012.08.052","","","0.71073","MoKα","","0.0377","0.0307","","","0.0745","0.0771","","","","","","1.031","","","","has coordinates","265413","2021-05-21","08:38:32",""
"1562789","10.9075","0.0004","10.4513","0.0004","17.7881","0.0007","90","","97.908","0.002","90","","2008.52","0.13","140","","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","butanediamonium diuranyl trisulfate trihydrate","","- C4 H20 N2 O19 S3 U2 -","- C4 H20 N2 O19 S3 U2 -","- C16 H80 N8 O76 S12 U8 -","4","1","","Jouffret, Laurent J.; Wylie, Ernest M.; Burns, Peter C.","Amine templating effect absent in uranyl sulfates synthesized with 1,4-n-butyldiamine","Journal of Solid State Chemistry","2013","197","","160","165","10.1016/j.jssc.2012.08.050","","","0.71073","MoKα","","0.064","0.046","","","0.0592","0.0613","","","","2.05","2.05","1.85","","","","has coordinates","265414","2021-05-21","08:43:52",""
"1562790","8.857","0.0004","7.3299","0.0003","20.426","0.0009","90","","95.14","0.002","90","","1320.74","0.1","140","","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","butanediamonium uranyl disulfate heptahydrate","","- C2 H13 N O13 S2 U -","- C2 H13 N O13 S2 U -","- C8 H52 N4 O52 S8 U4 -","4","1","","Jouffret, Laurent J.; Wylie, Ernest M.; Burns, Peter C.","Amine templating effect absent in uranyl sulfates synthesized with 1,4-n-butyldiamine","Journal of Solid State Chemistry","2013","197","","160","165","10.1016/j.jssc.2012.08.050","","","0.71073","MoKα","","0.0246","0.0205","","","0.032","0.0326","","","","2.16","2.16","2.09","","","","has coordinates","265414","2021-05-21","08:43:53",""
"1562791","8.7785","0.0012","9.1297","0.0012","5.2799","0.0007","90","","90","","90","","423.16","0.1","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- H3 Li O5 S -","- H3 Li O5 S -","- H12 Li4 O20 S4 -","4","1","","Banerjee, Debasis; Plonka, Anna M.; Kim, Sun Jin; Xu, Wenqian; Parise, John B.","Synthesis, structural characterization and high pressure phase transitions of monolithium hydronium sulfate","Journal of Solid State Chemistry","2013","197","","181","185","10.1016/j.jssc.2012.08.061","","","0.71073","MoKα","","0.0487","0.0441","","","0.1168","0.1206","","","","","","1.098","","","","has coordinates","265415","2021-05-21","08:48:21",""
"1562792","7.1181","0.0013","17.949","0.003","7.0568","0.0012","90","","90","","90","","901.6","0.3","298","2","298","2","","","","","","","","6","C 2 2 2","C 2 2","21","rubidium uranyl silicate","","","- Br0 O4.25 Rb0.5 Se0 Si1.25 U0.5 -","- O4.25 Rb0.5 Si1.25 U0.5 -","- O34 Rb4 Si10 U4 -","8","1","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","High temperature synthesis of two open-framework uranyl silicates with ten-ring channels: Cs2(UO2)2Si8O19 and Rb2(UO2)2Si5O13","Journal of Solid State Chemistry","2013","197","","186","190","10.1016/j.jssc.2012.07.048","","","0.71073","MoKα","","0.0306","0.0288","","","0.0717","0.0724","","","","","","1.203","","","","has coordinates","265416","2021-05-21","08:53:57",""
"1562793","14.1955","0.0002","14.6274","0.0002","23.0639","0.0004","90","","90","","90","","4789.06","0.13","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","cesium uranyl silicate","","","- Cl0 Cs0.62 O7.08 Si2.46 Te0 U0.62 -","- Cs0.615385 O7.07692 Si2.46154 U0.615385 -","- Cs16 O184 Si64 U16 -","26","3.25","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","High temperature synthesis of two open-framework uranyl silicates with ten-ring channels: Cs2(UO2)2Si8O19 and Rb2(UO2)2Si5O13","Journal of Solid State Chemistry","2013","197","","186","190","10.1016/j.jssc.2012.07.048","","","0.71073","MoKα","","0.0521","0.0267","","","0.0571","0.0666","","","","","","0.991","","","","has coordinates","265416","2021-05-21","08:53:58",""
"1562794","8.671","0.0017","11.226","0.002","18.741","0.004","98.26","0.03","102.6","0.03","109.17","0.03","1635.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 Cu4 N11 O18 -","- C20 H27 Cu4 N11 O18 -","- C40 H54 Cu8 N22 O36 -","2","1","","Liu, Jin-jian; Liu, Zu-liang; Cheng, Jian","Synthesis, crystal structure and properties of a novel tetra-nuclear Cu complex of ANPyO","Journal of Solid State Chemistry","2013","197","","198","203","10.1016/j.jssc.2012.08.007","","","0.71073","MoKα","","0.1609","0.0764","","","0.1608","0.2006","","","","","","1.001","","","","has coordinates","265417","2021-05-21","08:59:03",""
"1562795","14.0239","0.0011","4.3196","0.0004","9.5188","0.0009","90","","114.281","0.005","90","","525.62","0.08","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","cerium copper thullium telluride","","","- Ce2 Cu Te5 Tm -","- Ce2 Cu Te5 Tm -","- Ce4 Cu2 Te10 Tm2 -","2","0.25","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","Ce2AgYb5/3Se6, La2CuErTe5, and Ce2CuTmTe5: Three new quaternary interlanthanide chalcogenides","Journal of Solid State Chemistry","2013","197","","414","419","10.1016/j.jssc.2012.08.024","","","0.71073","MoKα","","0.0711","0.0388","","","0.065","0.0729","","","","","","0.869","","","","has coordinates","265418","2021-05-21","09:41:16",""
"1562796","12.253","0.003","4.0891","0.001","21.659","0.005","90","","90","","90","","1085.2","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","cerium silver thullium selenide","","","- Ag0.67 Br0 Ce1.33 Na0 Se4 Yb1.11 -","- Ag0.666667 Ce1.33333 Se4 Yb1.10667 -","- Ag4 Ce8 Se24 Yb6.64 -","6","0.75","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","Ce2AgYb5/3Se6, La2CuErTe5, and Ce2CuTmTe5: Three new quaternary interlanthanide chalcogenides","Journal of Solid State Chemistry","2013","197","","414","419","10.1016/j.jssc.2012.08.024","","","0.71073","MoKα","","0.0492","0.0293","","","0.0599","0.0661","","","","","","1.07","","","","has coordinates","265418","2021-05-21","09:41:17",""
"1562797","13.2258","0.0004","4.3434","0.0001","18.8032","0.0006","90","","90","","90","","1080.15","0.05","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","lanthanum copper erbium telluride","","","- Br0 Cu0.67 Er0.67 La1.33 Na0 Te3.33 -","- Cu0.666667 Er0.666667 La1.33333 Te3.33333 -","- Cu4 Er4 La8 Te20 -","6","0.75","","Babo, Jean-Marie; Albrecht-Schmitt, Thomas E.","Ce2AgYb5/3Se6, La2CuErTe5, and Ce2CuTmTe5: Three new quaternary interlanthanide chalcogenides","Journal of Solid State Chemistry","2013","197","","414","419","10.1016/j.jssc.2012.08.024","","","0.71073","MoKα","","0.0413","0.0308","","","0.0577","0.0602","","","","","","1.135","","","","has coordinates","265418","2021-05-21","09:41:17",""
"1562798","13.52516","0.00015","7.97702","0.00009","14.83836","0.00017","90","","90.1548","0.0008","90","","1600.91","0.03","298","2","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Strontium Yttrium Silicate","","","- O18 Si6 Sr3 Y2 -","- O18 Si6 Sr3 Y2 -","- O72 Si24 Sr12 Y8 -","4","0.5","","Tyutyunnik, Alexander P.; Leonidov, Ivan I.; Surat, Ludmila L.; Berger, Ivan F.; Zubkov, Vladimir G.","Crystal structure, morphotropic phase transition and luminescence in the new cyclosilicates Sr3R2(Si3O9)2, R=Y, Eu‒Lu","Journal of Solid State Chemistry","2013","197","","447","455","10.1016/j.jssc.2012.09.009","powder diffraction","","","","","","","","","","","","","1.94","","","","","","","has coordinates","265419","2021-05-21","09:48:17",""
"1562799","5.4182","0.00029","5.41048","0.0003","32.9798","0.0006","90","","90","","90","","966.8","0.08","298","","298","","","","","","","","","4","B 2 e b","B -2ab 2","41","","","","- Bi0.67 La0.67 O4 Ti -","- Bi0.666667 La0.666667 O4 Ti -","- Bi8 La8 O48 Ti12 -","12","1.5","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","3.94","","","","","","","has coordinates","265420","2021-05-21","09:58:34",""
"1562800","5.40644","0.0003","5.39783","0.00031","32.8972","0.0007","90","","90","","90","","960.04","0.08","298","","298","","","","","","","","","5","B 2 e b","B -2ab 2","41","","","","- Bi0.67 La0.33 Nd0.33 O4 Ti -","- Bi0.666667 La0.333333 Nd0.333333 O4 Ti -","- Bi8 La4 Nd4 O48 Ti12 -","12","1.5","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","3.77","","","","","","","has coordinates","265422","2021-05-21","10:01:49",""
"1562801","5.4077","0.0004","5.4011","0.0004","32.9211","0.0007","90","","90","","90","","961.54","0.1","298","","298","","","","","","","","","5","B 2 e b","B -2ab 2","41","","","","- Bi0.67 La0.33 O4 Pr0.33 Ti -","- Bi0.666667 La0.333333 O4 Pr0.333333 Ti -","- Bi8 La4 O48 Pr4 Ti12 -","12","1.5","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","4.05","","","","","","","has coordinates","265423","2021-05-21","10:38:09",""
"1562802","5.38744","0.00033","5.38468","0.00035","32.8051","0.0007","90","","90","","90","","951.66","0.09","298","","298","","","","","","","","","4","B 2 e b","B -2ab 2","41","","","","- Bi0.67 Nd0.67 O4 Ti -","- Bi0.666667 Nd0.666667 O4 Ti -","- Bi8 Nd8 O48 Ti12 -","12","1.5","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","3.36","","","","","","","has coordinates","265424","2021-05-21","10:40:29",""
"1562803","5.39475","0.00033","5.3931","0.0004","32.858","0.0006","90","","90","","90","","955.98","0.09","298","","298","","","","","","","","","4","B 2 e b","B -2ab 2","41","","","","- Bi0.67 O4 Pr0.67 Ti -","- Bi0.667333 O4 Pr0.667333 Ti -","- Bi8.008 O48 Pr8.008 Ti12 -","12","1.5","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.15","","","","","","","has coordinates","265425","2021-05-21","10:43:21",""
"1562804","5.3924","0.00035","5.3884","0.0004","32.8298","0.0008","90","","90","","90","","953.92","0.1","298","","298","","","","","","","","","5","B 2 e b","B -2ab 2","41","","","","- Bi0.67 Nd0.33 O4 Pr0.33 Ti -","- Bi0.666667 Nd0.333333 O4 Pr0.333333 Ti -","- Bi8 Nd4 O48 Pr4 Ti12 -","12","1.5","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","4.72","","","","","","","has coordinates","265426","2021-05-21","10:45:54",""
"1562805","5.50595","0.00021","5.50916","0.00022","33.20309","0.00032","90","","90","","90","","1007.15","0.06","298","","298","","","","","","","","","5","B 2 e b","B -2ab 2","41","","","","- Bi0.17 Nb0.17 O Sr0.17 Ti0.08 -","- Bi0.166667 Nb0.166675 O Sr0.166667 Ti0.083325 -","- Bi8 Nb8.0004 O48 Sr8 Ti3.9996 -","48","6","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.83","","","","","","","has coordinates","265427","2021-05-21","10:51:48",""
"1562806","5.52168","0.00011","5.52725","0.00012","33.48115","0.00033","90","","90","","90","","1021.83","0.03","298","","298","","","","","","","","","6","B 2 e b","B -2ab 2","41","","","","- Ba0.04 Bi0.17 Nb0.17 O Sr0.13 Ti0.08 -","- Ba0.0416667 Bi0.166667 Nb0.167833 O Sr0.125 Ti0.0821667 -","- Ba2 Bi8 Nb8.056 O48 Sr6 Ti3.944 -","48","6","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","","1.5405","CuKα~1~","","","","","","","","","","1.86","","","","","","","has coordinates","265428","2021-05-21","10:53:18",""
"1562807","5.5251","0.0005","5.5252","0.0005","33.44076","0.0003","90","","90","","90","","1020.86","0.13","298","","298","","","","","","","","","6","B 2 e b","B -2ab 2","41","","","","- Ba0.04 Bi0.17 O Sr0.12 Ta0.17 Ti0.08 -","- Ba0.0416667 Bi0.166667 O Sr0.125 Ta0.1667 Ti0.0833 -","- Ba2 Bi8 O48 Sr6 Ta8.0016 Ti3.9984 -","48","6","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.55","","","","","","","has coordinates","265429","2021-05-21","10:55:45",""
"1562808","5.48102","0.00018","5.47557","0.00019","33.0644","0.0004","90","","90","","90","","992.32","0.05","298","","298","","","","","","","","","6","B 2 e b","B -2ab 2","41","","","","- Bi0.17 Ca0.04 Nb0.17 O Sr0.13 Ti0.08 -","- Bi0.166667 Ca0.0416667 Nb0.1686 O Sr0.125 Ti0.0814 -","- Bi8 Ca2 Nb8.0928 O48 Sr6 Ti3.9072 -","48","6","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.11","","","","","","","has coordinates","265430","2021-05-21","10:58:09",""
"1562809","5.5445","0.001","5.5441","0.001","33.65056","0.00032","90","","90","","90","","1034.4","0.3","298","","298","","","","","","","","","6","B 2 e b","B -2ab 2","41","","","","- Ba0.08 Bi0.17 Nb0.17 O Sr0.09 Ti0.08 -","- Ba0.0833333 Bi0.166667 Nb0.166808 O Sr0.086 Ti0.0831917 -","- Ba4 Bi8 Nb8.0068 O48 Sr4.128 Ti3.9932 -","48","6","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.76","","","","","","","has coordinates","265431","2021-05-21","11:00:04",""
"1562810","5.5418","0.0007","5.5421","0.0007","33.596","0.0004","90","","90","","90","","1031.84","0.18","298","","298","","","","","","","","","6","B 2 e b","B -2ab 2","41","","","","- Ba0.08 Bi0.17 O Sr0.08 Ta0.17 Ti0.08 -","- Ba0.0833333 Bi0.166667 O Sr0.0833333 Ta0.17005 Ti0.07995 -","- Ba4 Bi8 O48 Sr4 Ta8.1624 Ti3.8376 -","48","6","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","neutron","1.066","neutron","","","","","","","","0.10907","","1.93","","","","","","","has coordinates","265432","2021-05-21","11:03:59",""
"1562811","5.47261","0.00023","5.46984","0.00023","33.0398","0.0004","90","","90","","90","","989.02","0.06","298","","298","","","","","","","","","6","B 2 e b","B -2ab 2","41","","","","- Bi0.17 Ca0.08 Nb0.17 O Sr0.08 Ti0.08 -","- Bi0.166667 Ca0.0833333 Nb0.1709 O Sr0.0833333 Ti0.0791 -","- Bi8 Ca4 Nb8.2032 O48 Sr4 Ti3.7968 -","48","6","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.01","","","","","","","has coordinates","265433","2021-05-21","11:05:39",""
"1562812","5.4791","0.0009","5.4779","0.0009","33.011","0.005","90","","90","","90","","990.8","0.3","298","","298","","","","","","","","","6","B 2 e b","B -2ab 2","41","","","","- Bi0.17 Ca0.08 O Sr0.08 Ta0.17 Ti0.08 -","- Bi0.166667 Ca0.0833333 O Sr0.0833333 Ta0.16665 Ti0.0833333 -","- Bi8 Ca4 O48 Sr4 Ta7.9992 Ti4 -","48","6","","Nichols, Eric J.; Shi, Jiawanjun; Huq, Ashfia; Vogel, Sven C.; Misture, Scott T.","Controlling structure distortions in 3-layer ferroelectric Aurivillius oxides","Journal of Solid State Chemistry","2013","197","","475","482","10.1016/j.jssc.2012.09.025","powder diffraction","","1.066","neutron","","","","","","","","","","2.18","","","","","","","has coordinates","265434","2021-05-21","11:07:28",""
"1562820","7.3865","0.0004","13.5657","0.0008","15.1709","0.0009","72.619","0.001","76.216","0.001","80.209","0.001","1400.94","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cu3 N6 O40 Tb2 -","- C42 H50 Cu3 N6 O40 Tb2 -","- C42 H50 Cu3 N6 O40 Tb2 -","1","0.5","","Xia, Zheng-Qiang; Wei, Qing; Chen, San-Ping; Feng, Xin-Ming; Xie, Gang; Qiao, Cheng-Fang; Zhang, Guo-Chun; Gao, Sheng-Li","Copper(II)‒lanthanide(III) coordination polymers constructed from pyridine-2,5-dicarboxylic acid: Preparation, crystal structure and photoluminescence","Journal of Solid State Chemistry","2013","197","","489","498","10.1016/j.jssc.2012.08.028","","","0.71073","MoKα","","0.0265","0.0234","","","0.0605","0.0621","","","","","","1.056","","","","has coordinates","265456","2021-05-22","07:19:35",""
"1562821","7.414","0.0007","13.6088","0.0012","15.1961","0.0014","72.656","0.001","76.124","0.001","80.168","0.001","1412.6","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cu3 Eu2 N6 O40 -","- C42 H50 Cu3 Eu2 N6 O40 -","- C42 H50 Cu3 Eu2 N6 O40 -","1","0.5","","Xia, Zheng-Qiang; Wei, Qing; Chen, San-Ping; Feng, Xin-Ming; Xie, Gang; Qiao, Cheng-Fang; Zhang, Guo-Chun; Gao, Sheng-Li","Copper(II)‒lanthanide(III) coordination polymers constructed from pyridine-2,5-dicarboxylic acid: Preparation, crystal structure and photoluminescence","Journal of Solid State Chemistry","2013","197","","489","498","10.1016/j.jssc.2012.08.028","","","0.71073","MoKα","","0.0375","0.0324","","","0.0974","0.1094","","","","","","1.129","","","","has coordinates","265456","2021-05-22","07:19:47",""
"1562822","7.3773","0.0004","13.5549","0.0007","15.1553","0.0008","72.637","0.001","76.282","0.001","80.204","0.001","1397.1","0.13","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cu3 Dy2 N6 O40 -","- C42 H50 Cu3 Dy2 N6 O40 -","- C42 H50 Cu3 Dy2 N6 O40 -","1","0.5","","Xia, Zheng-Qiang; Wei, Qing; Chen, San-Ping; Feng, Xin-Ming; Xie, Gang; Qiao, Cheng-Fang; Zhang, Guo-Chun; Gao, Sheng-Li","Copper(II)‒lanthanide(III) coordination polymers constructed from pyridine-2,5-dicarboxylic acid: Preparation, crystal structure and photoluminescence","Journal of Solid State Chemistry","2013","197","","489","498","10.1016/j.jssc.2012.08.028","","","0.71073","MoKα","","0.0259","0.0237","","","0.0709","0.078","","","","","","0.918","","","","has coordinates","265456","2021-05-22","07:19:47",""
"1562823","7.3742","0.0007","13.5503","0.0013","15.1504","0.0014","72.627","0.001","76.273","0.001","80.177","0.002","1395.4","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Cu3 Ho2 N6 O40 -","- C42 H50 Cu3 Ho2 N6 O40 -","- C42 H50 Cu3 Ho2 N6 O40 -","1","0.5","","Xia, Zheng-Qiang; Wei, Qing; Chen, San-Ping; Feng, Xin-Ming; Xie, Gang; Qiao, Cheng-Fang; Zhang, Guo-Chun; Gao, Sheng-Li","Copper(II)‒lanthanide(III) coordination polymers constructed from pyridine-2,5-dicarboxylic acid: Preparation, crystal structure and photoluminescence","Journal of Solid State Chemistry","2013","197","","489","498","10.1016/j.jssc.2012.08.028","","","0.71073","MoKα","","0.042","0.0371","","","0.1178","0.1288","","","","","","1.047","","","","has coordinates","265456","2021-05-22","07:19:47",""
"1562824","7.359","0.002","13.569","0.004","15.148","0.004","72.674","0.004","76.37","0.004","80.122","0.004","1394.9","0.7","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 Cu3 Lu2 N6 O40 -","- C42 H50 Cu3 Lu2 N6 O40 -","- C42 H50 Cu3 Lu2 N6 O40 -","1","0.5","","Xia, Zheng-Qiang; Wei, Qing; Chen, San-Ping; Feng, Xin-Ming; Xie, Gang; Qiao, Cheng-Fang; Zhang, Guo-Chun; Gao, Sheng-Li","Copper(II)‒lanthanide(III) coordination polymers constructed from pyridine-2,5-dicarboxylic acid: Preparation, crystal structure and photoluminescence","Journal of Solid State Chemistry","2013","197","","489","498","10.1016/j.jssc.2012.08.028","","","0.71073","MoKα","","0.0318","0.0291","","","0.0797","0.0813","","","","","","0.929","","","","has coordinates","265456","2021-05-22","07:19:47",""
"1562825","7.8379","0.0006","25.635","0.002","9.347","0.0007","90","","97.183","0.001","90","","1863.3","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cu N4 Nd2 O24 -","- C28 H28 Cu N4 Nd2 O24 -","- C56 H56 Cu2 N8 Nd4 O48 -","2","0.5","","Xia, Zheng-Qiang; Wei, Qing; Chen, San-Ping; Feng, Xin-Ming; Xie, Gang; Qiao, Cheng-Fang; Zhang, Guo-Chun; Gao, Sheng-Li","Copper(II)‒lanthanide(III) coordination polymers constructed from pyridine-2,5-dicarboxylic acid: Preparation, crystal structure and photoluminescence","Journal of Solid State Chemistry","2013","197","","489","498","10.1016/j.jssc.2012.08.028","","","0.71073","MoKα","","0.0346","0.0327","","","0.086","0.0871","","","","","","1.074","","","","has coordinates","265456","2021-05-22","07:19:47",""
"1562826","7.4898","0.0005","13.8229","0.0009","28.8356","0.0019","77.023","0.001","84.613","0.001","79.435","0.001","2855.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H52 Cu3 N6 O41 Pr2 -","- C42 H52 Cu3 N6 O41 Pr2 -","- C84 H104 Cu6 N12 O82 Pr4 -","2","1","","Xia, Zheng-Qiang; Wei, Qing; Chen, San-Ping; Feng, Xin-Ming; Xie, Gang; Qiao, Cheng-Fang; Zhang, Guo-Chun; Gao, Sheng-Li","Copper(II)‒lanthanide(III) coordination polymers constructed from pyridine-2,5-dicarboxylic acid: Preparation, crystal structure and photoluminescence","Journal of Solid State Chemistry","2013","197","","489","498","10.1016/j.jssc.2012.08.028","","","0.71073","MoKα","","0.0693","0.0386","","","0.0757","0.1208","","","","","","2.14","","","","has coordinates","265456","2021-05-22","07:19:50",""
"1562827","10.8819","0.0005","10.8819","0.0005","17.5876","0.0015","90","","90","","120","","1803.63","0.19","293","1","293","1","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Al41.76 Cr5.23 Yb6 -","- Al41.768 Cr5.232 Yb6 -","- Al83.536 Cr10.464 Yb12 -","2","0.0833333","","Kangas, Michael J.; Treadwell, LaRico J.; Haldolaarachchige, Neel; McAlpin, Jacob D.; Young, David P.; Chan, Julia Y.","Magnetic and electrical properties of flux grown single crystals of Ln6M4Al43 (Ln=Gd, Yb; M=Cr, Mo, W)","Journal of Solid State Chemistry","2013","197","","523","531","10.1016/j.jssc.2012.08.022","","","0.71073","MoKα","","0.0197","0.0182","","","0.0415","0.042","","","","","","1.238","","","","has coordinates","265457","2021-05-22","07:32:54",""
"1562828","10.9252","0.0008","10.9252","0.0008","17.7563","0.0016","90","","90","","120","","1835.4","0.3","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Al42.56 Cr4.44 Gd6 -","- Al42.56 Cr4.44 Gd6 -","- Al85.12 Cr8.88 Gd12 -","2","0.0833333","","Kangas, Michael J.; Treadwell, LaRico J.; Haldolaarachchige, Neel; McAlpin, Jacob D.; Young, David P.; Chan, Julia Y.","Magnetic and electrical properties of flux grown single crystals of Ln6M4Al43 (Ln=Gd, Yb; M=Cr, Mo, W)","Journal of Solid State Chemistry","2013","197","","523","531","10.1016/j.jssc.2012.08.022","","","0.71073","MoKα","","0.0181","0.0165","","","0.0372","0.0378","","","","","","1.174","","","","has coordinates","265457","2021-05-22","07:32:55",""
"1562829","11.0034","0.001","11.0034","0.001","17.6903","0.0015","90","","90","","120","","1854.9","0.3","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Al42.85 Mo4.15 Yb6 -","- Al42.852 Mo4.148 Yb6 -","- Al85.704 Mo8.296 Yb12 -","2","0.0833333","","Kangas, Michael J.; Treadwell, LaRico J.; Haldolaarachchige, Neel; McAlpin, Jacob D.; Young, David P.; Chan, Julia Y.","Magnetic and electrical properties of flux grown single crystals of Ln6M4Al43 (Ln=Gd, Yb; M=Cr, Mo, W)","Journal of Solid State Chemistry","2013","197","","523","531","10.1016/j.jssc.2012.08.022","","","0.71073","MoKα","","0.0259","0.0238","","","0.0573","0.0582","","","","","","1.141","","","","has coordinates","265457","2021-05-22","07:32:55",""
"1562830","11.0189","0.001","11.0189","0.001","17.7799","0.0015","90","","90","","120","","1869.5","0.3","293","1","293","1","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Al42.85 Gd6 Mo4.15 -","- Al42.836 Gd6 Mo4.164 -","- Al85.672 Gd12 Mo8.328 -","2","0.0833333","","Kangas, Michael J.; Treadwell, LaRico J.; Haldolaarachchige, Neel; McAlpin, Jacob D.; Young, David P.; Chan, Julia Y.","Magnetic and electrical properties of flux grown single crystals of Ln6M4Al43 (Ln=Gd, Yb; M=Cr, Mo, W)","Journal of Solid State Chemistry","2013","197","","523","531","10.1016/j.jssc.2012.08.022","","","0.71073","MoKα","","0.019","0.0176","","","0.0398","0.0403","","","","","","1.114","","","","has coordinates","265457","2021-05-22","07:32:55",""
"1562831","11.0079","0.001","11.0079","0.001","17.6878","0.0015","90","0.01","90","0.01","120","0.01","1856.2","0.3","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Al43 W4 Yb6 -","- Al43 W4 Yb6 -","- Al86 W8 Yb12 -","2","0.0833333","","Kangas, Michael J.; Treadwell, LaRico J.; Haldolaarachchige, Neel; McAlpin, Jacob D.; Young, David P.; Chan, Julia Y.","Magnetic and electrical properties of flux grown single crystals of Ln6M4Al43 (Ln=Gd, Yb; M=Cr, Mo, W)","Journal of Solid State Chemistry","2013","197","","523","531","10.1016/j.jssc.2012.08.022","","","0.71073","MoKα","","0.0302","0.0262","","","0.0658","0.0704","","","","","","1.1","","","","has coordinates","265457","2021-05-22","07:32:55",""
"1562832","11.0243","0.001","11.0243","0.001","17.7782","0.0019","90","","90","","120","","1871.2","0.3","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Al42.76 Gd6 W4.24 -","- Al42.756 Gd6 W4.244 -","- Al85.512 Gd12 W8.488 -","2","0.0833333","","Kangas, Michael J.; Treadwell, LaRico J.; Haldolaarachchige, Neel; McAlpin, Jacob D.; Young, David P.; Chan, Julia Y.","Magnetic and electrical properties of flux grown single crystals of Ln6M4Al43 (Ln=Gd, Yb; M=Cr, Mo, W)","Journal of Solid State Chemistry","2013","197","","523","531","10.1016/j.jssc.2012.08.022","","","0.71073","MoKα","","0.0255","0.0221","","","0.0522","0.0616","","","","","","1.215","","","","has coordinates","265457","2021-05-22","07:32:55",""
"1564991","5.0539","0.0003","5.0539","0.0003","8.21","0.001","90","","90","","120","","181.6","0.03","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- H12 O12 Xe4 -","- H3 O3 Xe -","- H12 O12 Xe4 -","4","0.166667","","Sanloup, Chrystèle; Bonev, Stanimir A.; Hochlaf, Majdi; Maynard-Casely, Helen E.","Reactivity of Xenon with Ice at Planetary Conditions","Physical Review Letters","2013","110","26","","","10.1103/PhysRevLett.110.265501","","","","","","","","","","","","","","","","","","","","","has coordinates","270013","2021-10-18","23:04:43",""
"1566168","14.5737","0.0005","8.1812","0.0003","22.0868","0.0009","90","","96.244","0.002","90","","2617.79","0.17","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H88 Br2 Cu2 Li4 N4 O2 -","- C44 H88 Br2 Cu2 Li4 N4 O2 -","- C88 H176 Br4 Cu4 Li8 N8 O4 -","2","0.5","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","","0.71073","MoKα","","0.0627","0.0391","","","0.1061","0.1118","","","","","","0.951","","","","has coordinates","272272","2022-01-27","09:24:34",""
"1566169","12.068","0.003","5.1986","0.0015","14.465","0.003","90","","108.686","0.013","90","","859.7","0.4","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 N O -","- C12 H7 N O -","- C48 H28 N4 O4 -","4","1","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.0734","0.0452","","","0.0996","0.1288","","","","","","1.083","","","","has coordinates","272272","2022-01-27","09:24:38",""
"1566170","15.323","0.003","3.8645","0.0007","17.224","0.003","90","","112.183","0.006","90","","944.4","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","1","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.0774","0.0569","","","0.1524","0.1754","","","","","","1.054","","","","has coordinates","272272","2022-01-27","09:24:41",""
"1566171","3.7934","0.0008","20.911","0.004","10.908","0.002","90","","97.678","0.01","90","","857.5","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 c 1","P -2yc","7","","","","- C11 H6 N2 O2 -","- C11 H6 N2 O2 -","- C44 H24 N8 O8 -","4","2","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.0634","0.0416","","","0.0876","0.0974","","","","","","1.018","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1566172","5.2623","0.0004","17.135","0.0009","12.1808","0.0009","90","","93.17","0.003","90","","1096.66","0.13","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.0498","0.0397","","","0.0962","0.1034","","","","","","1.049","","","","has coordinates","272272","2022-01-27","09:25:02",""
"1566173","5.1389","0.0005","8.3386","0.0007","20.173","0.002","90","","90","","90","","864.44","0.14","150","2","150","2","","","","","","","synthesis as described","4","P c 21 b","P -2bc -2c","29","","","","- C12 H7 N O2 -","- C12 H7 N O2 -","- C48 H28 N4 O8 -","4","1","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.07","0.0645","","","0.1816","0.1856","","","","","","1.148","","","","has coordinates","272272","2022-01-27","09:25:05",""
"1566174","4.7522","0.0004","13.1688","0.0012","16.4679","0.0014","90","","96.766","0.004","90","","1023.4","0.15","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Marquise, Nada; Harford, Philip J.; Chevallier, Floris; Roisnel, Thierry; Dorcet, Vincent; Gagez, Anne-Laure; Sablé, Sophie; Picot, Laurent; Thiéry, Valérie; Wheatley, Andrew E.H.; Gros, Philippe C.; Mongin, Florence","Synthesis of azafluorenones and related compounds using deprotocupration–aroylation followed by intramolecular direct arylation","Tetrahedron","2013","69","47","10123","10133","10.1016/j.tet.2013.09.030","","x-ray","0.71073","MoKα","","0.0441","0.0372","","","0.1047","0.1111","","","","","","1.073","","","","has coordinates","272272","2022-01-27","09:25:08",""
"2018732","14.146","0.003","16.358","0.003","22.856","0.005","90","","90","","90","","5288.9","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tris(3,5-diphenylpyrazolato-κ^2^<i>N</i>,<i>N</i>')tris(tetrahydrofuran- κ<i>O</i>)lanthanum(III) tetrahydrofuran monosolvate","","- C61 H65 La N6 O4 -","- C61 H65 La N6 O4 -","- C244 H260 La4 N24 O16 -","4","1","BI3050","Wang, Yu-Long; Feng, Meng; Tao, Xian; Tang, Qing-Yun; Shen, Ying-Zhong","Two lanthanum(III) complexes containing η^2^-pyrazolate and η^2^-1,2,4-triazolate ligands: intramolecular C—H···N/O interactions and coordination geometries","Acta Crystallographica Section C","2013","69","1","25","28","10.1107/S0108270112049281","","","0.71073","MoKα","","0.0309","0.0294","","","0.053","0.0539","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018733","11.531","0.002","18.688","0.004","23.827","0.007","90","","108.38","0.03","90","","4873","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tris(3,5-diphenyl-1,2,4-triazolato- κ^2^<i>N</i>^1^,<i>N</i>^2^)tris(tetrahydrofuran- κ<i>O</i>)lanthanum(III)","","- C54 H54 La N9 O3 -","- C54 H54 La N9 O3 -","- C216 H216 La4 N36 O12 -","4","1","BI3050","Wang, Yu-Long; Feng, Meng; Tao, Xian; Tang, Qing-Yun; Shen, Ying-Zhong","Two lanthanum(III) complexes containing η^2^-pyrazolate and η^2^-1,2,4-triazolate ligands: intramolecular C—H···N/O interactions and coordination geometries","Acta Crystallographica Section C","2013","69","1","25","28","10.1107/S0108270112049281","","","0.71073","MoKα","","0.0288","0.0261","","","0.0618","0.0633","","","","","","1.051","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018734","16.649","0.003","6.0854","0.001","9.8244","0.0016","90","","101.365","0.003","90","","975.8","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~4~-(hydroxy)(4-methoxyphenyl)methanesulfonato]sodium]","","- C8 H9 Na O5 S -","- C8 H9 Na O5 S -","- C32 H36 Na4 O20 S4 -","4","1","EG3104","Díaz de Vivar, M. Enriqueta; Baggio, Sergio; Baggio, Ricardo","An anisaldehyde sodium bisulfite derivative: poly[[μ~4~-(hydroxy)(4-methoxyphenyl)methanesulfonato]sodium]","Acta Crystallographica Section C","2013","69","1","52","55","10.1107/S0108270112047774","","","0.71073","MoKα","","0.0787","0.0505","","","0.1174","0.1323","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018735","11.6246","0.0005","11.6246","0.0005","11.5864","0.0005","90","","90","","120","","1355.92","0.1","200","2","200","2","","","","","","","","5","P 32","P 32","145","","(<i>S</i>)-Dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl- κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","","- C18 H21 N O3 Sn -","- C18 H21 N O3 Sn -","- C54 H63 N3 O9 Sn3 -","3","1","EG3106","Böhme, Uwe; Fels, Sabine","Enantiomerically pure and racemic dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","Acta Crystallographica Section C","2013","69","1","44","46","10.1107/S0108270112050470","","","0.71073","MoKα","","0.0211","0.0206","","","0.0497","0.0501","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018736","8.3148","0.0005","8.6633","0.0005","12.432","0.0008","71.03","0.005","87.44","0.006","84.553","0.005","842.97","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","(<i>RS</i>)-Dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl- κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","","- C18 H21 N O3 Sn -","- C18 H21 N O3 Sn -","- C36 H42 N2 O6 Sn2 -","2","1","EG3106","Böhme, Uwe; Fels, Sabine","Enantiomerically pure and racemic dimethyl{<i>N</i>-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]valinato-κ^2^<i>N</i>,<i>O</i>}tin(IV)","Acta Crystallographica Section C","2013","69","1","44","46","10.1107/S0108270112050470","","","0.71073","MoKα","","0.0348","0.0344","","","0.0954","0.096","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018737","7.4932","0.0008","10.5834","0.0011","11.4141","0.0012","102.69","0.002","100.459","0.002","101.986","0.002","838.99","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","3,5-Dimethyl-4-[(<i>E</i>)-(2-nitrophenyl)diazenyl]- 1-(2,3,4,5,6-pentafluorophenyl)-1<i>H</i>-pyrazole","","- C17 H10 F5 N5 O2 -","- C17 H10 F5 N5 O2 -","- C34 H20 F10 N10 O4 -","2","1","EM3056","Alvarez Thon, Luis; Bustos, Carlos; Diaz-Marín, Fernando; Garland, Maria Teresa; Baggio, Ricardo","3,5-Dimethyl-4-[(<i>E</i>)-(2-nitrophenyl)diazenyl]-1-(2,3,4,5,6-pentafluorophenyl)-1<i>H</i>-pyrazole","Acta Crystallographica Section C","2013","69","1","101","104","10.1107/S0108270112048573","","","0.71073","MoKα","","0.0536","0.0406","","","0.0999","0.1083","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018738","7.5892","0.0003","10.1399","0.0004","10.7325","0.0005","108.675","0.002","109.92","0.002","101.025","0.004","692.53","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis[hydroxybis(pyridin-2-yl)methanesulfonato- κ^3^<i>N</i>,<i>O</i>,<i>N</i>']copper(II) hexahydrate","","- C22 H30 Cu N4 O14 S2 -","- C22 H30 Cu N4 O14 S2 -","- C22 H30 Cu N4 O14 S2 -","1","0.5","FA3287","Haghjoo, Farhad; Pritchard, Robin","Completing the bis[hydroxybis(pyridin-2-yl)methanesulfonato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']<i>M</i>^II^ series (<i>M</i> = Mn to Zn) with the copper(II) and cobalt(II) structures","Acta Crystallographica Section C","2013","69","1","21","24","10.1107/S0108270112049748","","","0.71073","MoKα","","0.0744","0.0642","","","0.164","0.1722","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018739","7.73","0.0003","9.3475","0.0004","15.6518","0.0006","90","","98.499","0.002","90","","1118.52","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis[hydroxybis(pyridin-2-yl)methanesulfonato- κ^3^<i>N</i>,<i>O</i>,<i>N</i>']cobalt(II)","","- C22 H18 Co N4 O8 S2 -","- C22 H18 Co N4 O8 S2 -","- C44 H36 Co2 N8 O16 S4 -","2","0.5","FA3287","Haghjoo, Farhad; Pritchard, Robin","Completing the bis[hydroxybis(pyridin-2-yl)methanesulfonato-κ^3^<i>N</i>,<i>O</i>,<i>N</i>']<i>M</i>^II^ series (<i>M</i> = Mn to Zn) with the copper(II) and cobalt(II) structures","Acta Crystallographica Section C","2013","69","1","21","24","10.1107/S0108270112049748","","","0.71073","MoKα","","0.0641","0.0481","","","0.1138","0.1236","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018740","9.7292","0.0002","9.7292","0.0002","34.3125","0.0013","90","","90","","90","","3247.93","0.16","298","2","298","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl- κ<i>N</i>^3^)pyridinido-κ<i>N</i>]zinc(II)","","- C38 H24 N10 Zn -","- C38 H24 N10 Zn -","- C152 H96 N40 Zn4 -","4","0.5","FA3291","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","A new polymorph of bis[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridinido-κ<i>N</i>]zinc(II)","Acta Crystallographica Section C","2013","69","1","47","51","10.1107/S0108270112050482","","","0.71073","MoKα","","0.0545","0.0383","","","0.0875","0.0901","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018741","6.5002","0.0004","10.8931","0.0007","11.8005","0.0008","103.793","0.006","102.111","0.006","95.836","0.006","783.22","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","asarinin","(1<i>RS</i>,3a<i>RS</i>,4<i>SS</i>,6a<i>RS</i>)-1,4-bis(benzo[<i>d</i>][1,3]dioxol-5-yl)hexahydrofuro[3,4-<i>c</i>]furan","","- C20 H18 O6 -","- C20 H18 O6 -","- C40 H36 O12 -","2","1","FA3296","Negi, Devendra Singh; Negi, Nisha; Kumar, Ashok; Matsunami, Katsuyoshi; Schulz, Stefan; Jones, Peter G.","(±)-Asarinin","Acta Crystallographica Section C","2013","69","1","87","89","10.1107/S0108270112049657","","","1.54184","CuKα","","0.0351","0.0348","","","0.0857","0.086","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018742","11.9857","0.0002","7.9094","0.0002","11.6777","0.0002","90","","93.778","0.002","90","","1104.64","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Amino-1-(4-methylphenylsulfonyl)-4-pyrazolin-3-one","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C40 H44 N12 O12 S4 -","4","1","FA3297","Elgemeie, Galal H.; Sayed, Shahinaz H.; Jones, Peter G.","True symmetry or pseudosymmetry: 5-amino-1-(4-methylphenylsulfonyl)-4-pyrazolin-3-one and a comparison with its 1-phenylsulfonyl analogue","Acta Crystallographica Section C","2013","69","1","90","92","10.1107/S0108270112049906","","","0.71073","MoKα","","0.0342","0.031","","","0.0806","0.0826","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018743","13.022","0.003","4.9269","0.001","19.42","0.004","90","","92.54","0.03","90","","1244.7","0.5","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","poly[diaquabis(μ~5~-2,5-dioxopiperazine-1,4-diacetato)(μ~2~- oxalato)dilanthanum(III)]","","- C9 H10 La N2 O9 -","- C9 H10 La N2 O9 -","- C36 H40 La4 N8 O36 -","4","1","FG3274","Chen, Wen-Xian; Liu, Qiu-Ping; Zhuang, Gui-Lin; Zhou, Sheng-Jun","A novel La^III^-based metal‒organic framework (MOF) with a new topology: poly[diaquabis(μ~5~-2,5-dioxopiperazine-1,4-diacetato)(μ~2~-oxalato)dilanthanum(III)]","Acta Crystallographica Section C","2013","69","1","5","7","10.1107/S0108270112048184","","","0.71073","MoKα","","0.0213","0.0204","","","0.0519","0.0524","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018744","21.4175","0.0002","5.9779","0.0001","17.6539","0.0002","90","","106.648","0.001","90","","2165.51","0.05","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,5'-Dibromo-2,2'-bis[4-(methylsulfanyl)phenyl]-4,4'-bipyridine","","- C24 H18 Br2 N2 S2 -","- C24 H18 Br2 N2 S2 -","- C96 H72 Br8 N8 S8 -","4","0.5","FG3278","Abboud, Mohamed; Mamane, Victor; Aubert, Emmanuel","Energetic analysis of the molecular packing of 5,5'-dibromo-2,2'-bis[4-(methylsulfanyl)phenyl]-4,4'-bipyridine: the role of π‒π and halogen interactions","Acta Crystallographica Section C","2013","69","1","56","60","10.1107/S0108270112048196","","","1.5418","CuKα","","0.0168","0.0166","","","0.0442","0.0443","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018745","8.0894","0.0016","12.037","0.003","15.39","0.003","89.774","0.019","89.466","0.017","76.691","0.017","1458.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","6-Amino-2-thiouracil dimethylformamide disolvate","","- C10 H19 N5 O3 S -","- C10 H19 N5 O3 S -","- C40 H76 N20 O12 S4 -","4","2","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.1932","0.077","","","0.1524","0.199","","","","","","0.899","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018746","9.4615","0.0009","9.2679","0.0011","13.4208","0.0012","90","","101.801","0.007","90","","1152","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Amino-2-thiouracil dimethylacetamide monosolvate","","- C8 H14 N4 O2 S -","- C8 H14 N4 O2 S -","- C32 H56 N16 O8 S4 -","4","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.0438","0.0404","","","0.1156","0.118","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018747","15.2133","0.0007","7.4335","0.0013","24.445","0.003","90","","90","","90","","2764.4","0.6","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","6-Amino-2-thiouracil dimethylacetamide sesquisolvate","","- C20 H37 N9 O5 S2 -","- C20 H37 N9 O5 S2 -","- C80 H148 N36 O20 S8 -","4","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.107","0.0634","","","0.1","0.1127","","","","","","0.934","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018748","15.2293","0.001","7.5483","0.0004","25.1871","0.0013","90","","90","","90","","2895.4","0.3","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","6-Amino-2-thiouracil 1-methylpyrrolidin-2-one sesquisolvate","","- C23 H37 N9 O5 S2 -","- C23 H37 N9 O5 S2 -","- C92 H148 N36 O20 S8 -","4","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.0747","0.062","","","0.1648","0.1698","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018749","7.5509","0.0007","15.2328","0.0012","50.601","0.003","90","","90","","90","","5820.2","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","6-Amino-2-thiouracil 1-methylpyrrolidin-2-one sesquisolvate","","- C23 H37 N9 O5 S2 -","- C23 H37 N9 O5 S2 -","- C184 H296 N72 O40 S16 -","8","1","FG3285","Hützler, Wilhelm Maximilian; Bolte, Michael","Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H···S hydrogen bonds","Acta Crystallographica Section C","2013","69","1","93","100","10.1107/S010827011204930X","","","0.71073","MoKα","","0.1821","0.0789","","","0.1835","0.2288","","","","","","0.9","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018750","11.3011","0.0003","19.276","0.0004","6.6725","0.0002","90","","90","","90","","1453.54","0.07","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Diethyl 2-[(2-hydroxyanilino)methylidene]malonate","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C56 H68 N4 O20 -","4","0.5","FN3116","Ilangovan, Andivelu; Venkatesan, Perumal; Ganesh Kumar, Rajendran","Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates","Acta Crystallographica Section C","2013","69","1","70","73","10.1107/S0108270112047257","","","0.71073","MoKα","","0.0699","0.0487","","","0.1369","0.1543","","","","","","1.045","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2018751","10.997","0.0011","10.8919","0.0011","12.3244","0.0012","90","","105.206","0.001","90","","1424.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diethyl 2-[(4-hydroxyanilino)methylidene]malonate","","- C14 H17 N O5 -","- C14 H17 N O5 -","- C56 H68 N4 O20 -","4","1","FN3116","Ilangovan, Andivelu; Venkatesan, Perumal; Ganesh Kumar, Rajendran","Hydrogen bonding due to regioisomerism and its effect on the supramolecular architecture of diethyl 2-[(2/4-hydroxyanilino)methylidene]malonates","Acta Crystallographica Section C","2013","69","1","70","73","10.1107/S0108270112047257","","","0.71073","MoKα","","0.0439","0.0381","","","0.1097","0.117","","","","","","1.045","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018752","7.2846","0.0016","14.938","0.003","7.8594","0.0017","90","","90","","90","","855.2","0.3","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tetrasamarium lithium tetragermanide","","- Ge4 Li1.03 Sm3.97 -","- Ge4 Li1.034 Sm3.966 -","- Ge16 Li4.136 Sm15.864 -","4","0.5","FN3120","Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen","Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type","Acta Crystallographica Section C","2013","69","1","1","4","10.1107/S0108270112050032","","","0.71073","MoKα","","0.0405","0.0276","","","0.047","0.0508","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018753","7.3649","0.0012","15.092","0.002","7.9406","0.0013","90","","90","","90","","882.6","0.2","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tetraneodymium lithium tetragermanide","","- Ge4 Li1.03 Nd3.97 -","- Ge4 Li1.03 Nd3.97 -","- Ge16 Li4.12 Nd15.88 -","4","0.5","FN3120","Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen","Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type","Acta Crystallographica Section C","2013","69","1","1","4","10.1107/S0108270112050032","","","0.71073","MoKα","","0.0601","0.0361","","","0.0533","0.0597","","","","","","1.049","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018754","7.188","0.002","14.816","0.005","7.767","0.003","90","","90","","90","","827.2","0.5","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tetragadolinium lithium tetragermanide","","- Gd3.96 Ge4 Li1.04 -","- Gd3.954 Ge4 Li1.046 -","- Gd15.816 Ge16 Li4.184 -","4","0.5","FN3120","Suen, Nian-Tzu; You, Tae-Soo; Bobev, Svilen","Synthesis, crystal structures and chemical bonding of RE~5{-~<i>x</i>}Li~<i>x~</i>Ge~4~ (RE = Nd, Sm and Gd; <i>x</i> \σimeq 1) with the orthorhombic Gd~5~Si~4~ type","Acta Crystallographica Section C","2013","69","1","1","4","10.1107/S0108270112050032","","","0.71073","MoKα","","0.0608","0.0396","","","0.0787","0.0865","","","","","","1.014","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018755","13.714","0.001","22.799","0.002","8.0786","0.0005","90","","111.94","0.004","90","","2343","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","tetra(sarcosine) potassium iodide dihydrate","<i>catena</i>-Poly[[potassium-tetra-μ-sarcosine- κ^4^<i>O</i>:<i>O</i>';κ^4^<i>O</i>:<i>O</i>] iodide dihydrate]","","- C12 H32 I K N4 O10 -","- C12 H32 I K N4 O10 -","- C48 H128 I4 K4 N16 O40 -","4","0.5","MX3086","Fleck, Michel; Ghazaryan, Vahram V.; Petrosyan, Aram M.","Diaquaiodidotetrasarcosinepotassium: an overview of sarcosine metal halogenide structures","Acta Crystallographica Section C","2013","69","1","11","16","10.1107/S0108270112048597","","","0.71073","MoKα","","0.0533","0.0325","","","0.0653","0.0725","","","","","","1.015","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018756","14.424","0.004","6.3401","0.0016","7.234","0.002","90","","92.51","0.03","90","","660.9","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Poly[aqua[μ~4~-3,3'-(diazenediyl)dibenzoato]zinc]","","- C14 H10 N2 O5 Zn -","- C14 H10 N2 O5 Zn -","- C28 H20 N4 O10 Zn2 -","2","0.5","MX3089","Liu, Lei-Lei; Zhao, Feng","Poly[aqua[μ~4~-3,3'-(diazenediyl)dibenzoato]zinc]","Acta Crystallographica Section C","2013","69","1","29","32","10.1107/S0108270112048974","","","0.71073","MoKα","","0.0326","0.0295","","","0.069","0.0716","","","","","","1.095","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018757","9.219","0.003","5.815","0.002","12.263","0.004","90","","99.74","0.03","90","","647.9","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Dimethyl (2<i>S</i>)-2-[(<i>tert</i>-butoxycarbonyl)amino]butanedioate","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C22 H38 N2 O12 -","2","1","QS3019","Wojewska, Dominika; Kluczyk, Alicja; Ślepokura, Katarzyna","Geometric changes around an N atom due to a urethane-type bis(<i>tert</i>-butoxycarbonyl) substituent","Acta Crystallographica Section C","2013","69","1","82","86","10.1107/S0108270112048846","","","0.71073","MoKα","","0.0347","0.0303","","","0.0767","0.0784","","","","","","1.072","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018758","5.922","0.002","9.635","0.002","33.026","0.008","90","","90","","90","","1884.4","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Dimethyl (2<i>S</i>)-2-{bis[(<i>tert</i>-butoxycarbonyl]amino}butanedioate","","- C16 H27 N O8 -","- C16 H27 N O8 -","- C64 H108 N4 O32 -","4","1","QS3019","Wojewska, Dominika; Kluczyk, Alicja; Ślepokura, Katarzyna","Geometric changes around an N atom due to a urethane-type bis(<i>tert</i>-butoxycarbonyl) substituent","Acta Crystallographica Section C","2013","69","1","82","86","10.1107/S0108270112048846","","","0.71073","MoKα","","0.0413","0.0333","","","0.082","0.0841","","","","","","1.064","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018759","11.147","0.006","5.985","0.003","16.32","0.008","90","","90","","90","","1088.8","1","93","1","93","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Tripotassium formatotetraperoxidodimolybdate","Tripotassium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","","- C H K3 Mo2 O13 -","- C H K3 Mo2 O13 -","- C4 H4 K12 Mo8 O52 -","4","1","SF3186","Takehara, Masaki; Hashimoto, Masato","Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","Acta Crystallographica Section C","2013","69","1","37","40","10.1107/S0108270112049803","","","0.71069","MoKα","","0.0163","0.0159","","","0.0398","0.0401","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018760","11.472","0.004","6.208","0.002","16.633","0.006","90","","90","","90","","1184.6","0.7","93","2","93","1","","","","","","","","5","P c a 21","P 2c -2ac","29","Trirubidium formatotetraperoxidodimolybdate","Trirubidium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","","- C H Mo2 O13 Rb3 -","- C H Mo2 O13 Rb3 -","- C4 H4 Mo8 O52 Rb12 -","4","1","SF3186","Takehara, Masaki; Hashimoto, Masato","Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","Acta Crystallographica Section C","2013","69","1","37","40","10.1107/S0108270112049803","","","0.71069","MoKα","","0.0265","0.0254","","","0.0573","0.0582","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018761","6.091","0.002","11.622","0.004","16.8","0.005","90","","90","","90","","1189.3","0.7","93","2","93","1","","","","","","","","5","P b c m","-P 2c 2b","57","Triammonium formatotetraperoxidodimolybdate","Triammonium μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido- bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","","- C H13 Mo2 N3 O13 -","- C H13 Mo2 N3 O13 -","- C4 H52 Mo8 N12 O52 -","4","0.5","SF3186","Takehara, Masaki; Hashimoto, Masato","Potassium, rubidium and ammonium salts of μ-(formato-κ^2^<i>O</i>:<i>O</i>')-μ-oxido-bis[oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')molybdate(VI)]","Acta Crystallographica Section C","2013","69","1","37","40","10.1107/S0108270112049803","","","0.71069","MoKα","","0.0189","0.0176","","","0.0427","0.0434","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018762","8.8956","0.0018","10.161","0.002","11.233","0.002","77.14","0.03","86.51","0.03","84.8","0.03","984.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaquazinc]-bis{μ-<i>N</i>^2^,<i>N</i>^6^- bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}] dinitrate]","","- C38 H38 N12 O12 Zn -","- C38 H38 N12 O12 Zn -","- C38 H38 N12 O12 Zn -","1","0.5","SF3189","Li, Fa-Zhan; Li, Guo-Ting","<i>catena</i>-Poly[[[diaquazinc]-bis{μ-<i>N</i>^2^,<i>N</i>^6^-bis[(pyridin-3-yl)methyl]pyridine-2,6-dicarboxamide}] dinitrate]","Acta Crystallographica Section C","2013","69","1","33","36","10.1107/S0108270112050214","","","0.71073","MoKα","","0.0476","0.0393","","","0.0974","0.103","","","","","","1.048","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2018763","6.5227","0.0008","7.4153","0.0008","8.7646","0.001","90","","90","","90","","423.92","0.08","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Lead(II) formate","Poly[di-μ~4~-formato-lead(II)]","","- C2 H2 O4 Pb -","- C2 H2 O4 Pb -","- C8 H8 O16 Pb4 -","4","1","SK3452","Lanza, Arianna; Gambirasi, Arianna; Favaro, Monica; Peruzzo, Luca; Chiurato, Matteo; Nestola, Fabrizio","Re-investigation of lead(II) formate","Acta Crystallographica Section C","2013","69","1","41","43","10.1107/S010827011204913X","","","0.71073","MoKα","","0.044","0.0354","","","0.0769","0.0794","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018764","7.752","0.002","20.566","0.007","14.141","0.004","90","","99.639","0.006","90","","2222.6","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","poly[(μ~3~-phthalato)[μ~2~-3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1- ido]dicopper(II)]","","- C24 H16 Cu2 N6 O4 -","- C24 H16 Cu2 N6 O4 -","- C96 H64 Cu8 N24 O16 -","4","1","SK3461","Cai, Hua; Guo, Ying; Li, Jian-Gang","Controllable assembly of a three-dimensional metal‒organic supramolecular framework including π‒π stacking interactions","Acta Crystallographica Section C","2013","69","1","8","10","10.1107/S0108270112048937","","","0.71073","MoKα","","0.0591","0.0297","","","0.0648","0.0791","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018765","12.4413","0.001","15.8116","0.0018","7.1805","0.001","90","","103.037","0.009","90","","1376.1","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 4-(4-chloroanilino)-3-nitrobenzoate","","- C14 H11 Cl N2 O4 -","- C14 H11 Cl N2 O4 -","- C56 H44 Cl4 N8 O16 -","4","1","SK3463","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded sheet structures in methyl 4-(4-chloroanilino)-3-nitrobenzoate and methyl 1-benzyl-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section C","2013","69","1","77","81","10.1107/S0108270112049669","","","0.71073","MoKα","","0.1125","0.0589","","","0.1335","0.1633","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018766","14.214","0.002","11.7391","0.001","11.058","0.0014","90","","98.908","0.01","90","","1822.9","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 1-benzyl-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","","- C22 H17 Cl N2 O2 -","- C22 H17 Cl N2 O2 -","- C88 H68 Cl4 N8 O8 -","4","1","SK3463","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded sheet structures in methyl 4-(4-chloroanilino)-3-nitrobenzoate and methyl 1-benzyl-2-(4-chlorophenyl)-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section C","2013","69","1","77","81","10.1107/S0108270112049669","","","0.71073","MoKα","","0.0761","0.0464","","","0.1012","0.1167","","","","","","1.053","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018767","8.415","0.0007","12.8669","0.0011","15.2441","0.0014","90","","90","","90","","1650.6","0.2","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-amino-4-methylpyridinium nitrate","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C48 H72 N24 O24 -","8","1","WQ3020","Yan, Xing-Chen; Fan, Yu-Hua; Bi, Cai-Feng; Zhang, Xia; Zhang, Zhong-Yu","An amino‒imino resonance study of 2-amino-4-methylpyridinium nitrate and 2-amino-5-methylpyridinium nitrate","Acta Crystallographica Section C","2013","69","1","61","65","10.1107/S0108270112047877","","","0.71073","MoKα","","0.0912","0.0487","","","0.1158","0.1519","","","","","","1.107","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018768","27.838","0.004","27.838","0.004","11.779","0.002","90","","90","","90","","9128","2","293","2","293","2","","","","","","","","6","I -4","I -4","82","","Tetrakis[μ-2-(quinolin-8-yloxy)acetato]tetrakis[μ-2-(quinolin-8- yloxy)acetonitrile]tetracadmium tetrakis(perchlorate) dihydrate","","- C88 H68 Cd4 Cl4 N12 O34 -","- C88 H68 Cd4 Cl4 N12 O34 -","- C352 H272 Cd16 Cl16 N48 O136 -","4","0.5","WQ3022","Liu, Ming-Liang; Ye, Qiong","A tetranuclear cadmium(II) complex based on the 2-(quinolin-8-yloxy)acetonitrile ligand","Acta Crystallographica Section C","2013","69","1","17","20","10.1107/S0108270112049360","","","0.71073","MoKα","","0.0686","0.0477","","","0.0944","0.1027","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018769","12.7125","0.0014","7.8246","0.0004","16.579","0.002","90","","106.904","0.009","90","","1577.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-5-[4-(Dimethylamino)benzylidene]-2-(piperidin-1-yl)- 1,3-thiazolidin-4(5<i>H</i>)-one","","- C17 H21 N3 O S -","- C17 H21 N3 O S -","- C68 H84 N12 O4 S4 -","4","1","YF3021","Insuasty, Alberto; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(<i>Z</i>)-5-[4-(Dimethylamino)benzylidene]-2-(piperidin-1-yl)-1,3-thiazolidin-4(5<i>H</i>)-one","Acta Crystallographica Section C","2013","69","1","74","76","10.1107/S0108270112047956","","","0.71073","MoKα","","0.1193","0.0539","","","0.1129","0.1396","","","","","","1.045","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018770","10.758","0.0001","10.758","0.0001","38.073","0.0003","90","","90","","120","","3816.02","0.06","183","2","183","2","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","decacalcium hexakis[chromate(V)] chromate(VI)","","- Ca10 Cr7 O28 -","- Ca10 Cr7 O28 -","- Ca60 Cr42 O168 -","6","0.333333","BI3051","Gyepesová, Dalma; Langer, Vratislav","Ca~10~(Cr^V^O~4~)~6~(Cr^VI^O~4~), a disordered mixed-valence chromium compound exhibiting inversion twinning","Acta Crystallographica Section C","2013","69","2","111","113","10.1107/S0108270113000723","","","0.71073","MoKα","","0.0269","0.0239","","","0.0585","0.0602","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018771","5.921","0.0008","5.921","0.0008","21.016","0.004","90","","90","","120","","638.07","0.17","298","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","Barium di-μ-hydroxydo-di-μ-vanadato-tricobaltate(II)","","- Ba Co3 H2 O10 V2 -","- Ba Co3 H2 O10 V2 -","- Ba3 Co9 H6 O30 V6 -","3","0.0833333","BI3052","Dordević, Tamara; Karanović, Ljiljana","Ba[Co~3~(VO~4~)~2~(OH)~2~] with a regular Kagomé lattice","Acta Crystallographica Section C","2013","69","2","114","118","10.1107/S0108270113001972","","","0.71069","MoKα","","0.0191","0.0184","","","0.0596","0.0599","","","","","","1.325","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018772","8.6437","0.0003","9.5322","0.0003","21.8594","0.0008","90","","95.657","0.003","90","","1792.3","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(diisopropylammonium) thiosulfate","","- C12 H32 N2 O3 S2 -","- C12 H32 N2 O3 S2 -","- C48 H128 N8 O12 S8 -","4","1","DT3017","Okuniewski, Andrzej; Chojnacki, Jaroslaw; Baranowska, Katarzyna; Becker, Barbara","Bis(diisopropylammonium) thiosulfate and bis(<i>tert</i>-butylammonium) thiosulfate","Acta Crystallographica Section C","2013","69","2","195","198","10.1107/S0108270113001327","","","0.71073","MoKα","","0.0467","0.0422","","","0.1068","0.1095","","","","","","1.088","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018773","11.7834","0.0004","12.3519","0.0006","19.9312","0.0008","90","","97.017","0.004","90","","2879.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(<i>tert</i>-butylammonium) thiosulfate","","- C8 H24 N2 O3 S2 -","- C8 H24 N2 O3 S2 -","- C64 H192 N16 O24 S16 -","8","2","DT3017","Okuniewski, Andrzej; Chojnacki, Jaroslaw; Baranowska, Katarzyna; Becker, Barbara","Bis(diisopropylammonium) thiosulfate and bis(<i>tert</i>-butylammonium) thiosulfate","Acta Crystallographica Section C","2013","69","2","195","198","10.1107/S0108270113001327","","","0.71073","MoKα","","0.0508","0.034","","","0.0804","0.0843","","","","","","0.961","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018774","5.1955","0.0006","10.3017","0.0017","20.943","0.002","90","","90","","90","","1120.9","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-Oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoic acid","","- C10 H16 N2 O3 S -","- C10 H16 N2 O3 S -","- C40 H64 N8 O12 S4 -","4","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0403","0.0354","","","0.0881","0.0896","","","","","","0.994","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018775","8.7869","0.0008","8.2847","0.001","9.8588","0.001","90","","95.718","0.008","90","","714.12","0.13","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[[{μ~3~-5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}silver(I)] trihydrate]","","- C10 H21 Ag N2 O6 S -","- C10 H21 Ag N2 O6 S -","- C20 H42 Ag2 N4 O12 S2 -","2","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0235","0.0227","","","0.0608","0.0611","","","","","","1.074","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018776","21.8568","0.0012","8.0321","0.0004","16.8886","0.0009","90","","99.337","0.004","90","","2925.6","0.3","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","<i>catena</i>-poly[[bis[nitratosilver(I)]- bis{μ~3~-5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)-2-oxohexahydro-1<i>H</i>- thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}] monohydrate]","","- C20 H34 Ag2 N6 O13 S2 -","- C20 H34 Ag2 N6 O13 S2 -","- C80 H136 Ag8 N24 O52 S8 -","4","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0221","0.0187","","","0.0401","0.0408","","","","","","0.973","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018777","15.113","0.0007","9.6028","0.0003","28.667","0.0013","90","","90.946","0.004","90","","4159.8","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","<i>catena</i>-poly[[silver(I)-bis{μ~2~-5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)- 2-oxohexahydro-1<i>H</i>-thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}] hexafluoridophosphate]","","- C20 H32 Ag F6 N4 O6 P S2 -","- C20 H32 Ag F6 N4 O6 P S2 -","- C120 H192 Ag6 F36 N24 O36 P6 S12 -","6","3","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0496","0.0437","","","0.107","0.1092","","","","","","1.035","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018778","9.6902","0.0011","14.6452","0.0012","9.8604","0.0012","90","","91.167","0.01","90","","1399","0.3","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","<i>catena</i>-poly[[[{5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)- 2-oxohexahydro-1<i>H</i>-thieno[3,4-<i>d</i>]imidazol-4- yl]pentanoato}silver(I)]-μ~2~-{5-[(3a<i>S</i>,4<i>S</i>,6a<i>R</i>)- 2-oxohexahydro-1<i>H</i>-thieno[3,4-<i>d</i>]imidazol-4-yl]pentanoato}] hexafluoridoantimonate]","","- C20 H32 Ag F6 N4 O6 S2 Sb -","- C20 H32 Ag F6 N4 O6 S2 Sb -","- C40 H64 Ag2 F12 N8 O12 S4 Sb2 -","2","1","EG3103","Altaf, Muhammad; Stoeckli-Evans, Helen","Chiral one- and two-dimensional silver(I)‒biotin coordination polymers","Acta Crystallographica Section C","2013","69","2","127","137","10.1107/S0108270113000322","","","0.71073","MoKα","","0.0281","0.0261","","","0.0637","0.0642","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018779","9.9504","0.0015","8.849","0.0014","10.0077","0.0016","90","","99.731","0.009","90","","868.5","0.2","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-Chlorofuro[3,2-<i>e</i>][2,1,3]benzoxatellurazole","","- C8 H4 Cl N O2 Te -","- C8 H4 Cl N O2 Te -","- C32 H16 Cl4 N4 O8 Te4 -","4","1","EG3105","Watkins, Jennifer M.; Fronczek, Frank R.; Zehnder, Ralph A.; Junk, Thomas","1-Chlorofuro[3,2-<i>e</i>][2,1,3]benzoxatellurazole","Acta Crystallographica Section C","2013","69","2","156","157","10.1107/S0108270112050196","","","0.71073","MoKα","","0.028","0.024","","","0.053","0.055","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018780","9.0848","0.0003","6.2043","0.0002","13.1207","0.0005","90","","107.792","0.002","90","","704.17","0.04","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Hydroxy-1,3-dihydro-2,3,1-benzoxazaborinin-4-one","1-Hydroxy-1<i>H</i>-benzo[<i>d</i>][1,2,6]oxazaborinin-4(3<i>H</i>)-one","","- C7 H6 B N O3 -","- C7 H6 B N O3 -","- C28 H24 B4 N4 O12 -","4","1","FA3302","Sarina, Evan A.; Olmstead, Marilyn M.; Nguyen, Dung N.; Groziak, Michael P.","1-Hydroxy-1<i>H</i>-benzo[<i>d</i>][1,2,6]oxazaborinin-4(3<i>H</i>)-one","Acta Crystallographica Section C","2013","69","2","183","185","10.1107/S0108270113000681","","","0.71073","MoKα","","0.0351","0.0336","","","0.101","0.1027","","","","","","1.044","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018781","10.4235","0.0002","19.1651","0.0002","37.2907","0.0004","90","","90","","90","","7449.47","0.18","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","telaprevir","(1<i>S</i>,3a<i>R</i>,6a<i>S</i>)-2-((2<i>S</i>)-2-{[(2<i>S</i>)-2-Cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino}-3,3-dimethylbutanoyl)-<i>N</i>-[(3<i>S</i>)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1<i>H</i>-cyclopenta[<i>c</i>]pyrrole-1-carboxamide","","- C36 H53 N7 O6 -","- C36 H53 N7 O6 -","- C288 H424 N56 O48 -","8","2","FN3124","Gelbrich, Thomas; Kahlenberg, Volker; Langes, Christoph; Griesser, Ulrich J.","Telaprevir: helical chains based on three-point hydrogen-bond connections","Acta Crystallographica Section C","2013","69","2","179","182","10.1107/S0108270113000954","","","1.5418","CuKα","","0.0493","0.0469","","","0.1192","0.1214","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018782","10.4687","0.0002","12.8659","0.0003","13.8539","0.0003","83.28","0.001","84.374","0.001","69.611","0.001","1733.76","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tris[2-(1,3-thiazol-2-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole- κ<i>N</i>^3^]zinc(II) dinitrate ethanol hemisolvate monohydrate","","- C31 H26 N11 O7.5 S3 Zn12 -","- C31 H26 N11 O7.5 S3 Zn -","- C62 H52 N22 O15 S6 Zn2 -","2","1","GZ3218","Oliveira, F. L.; Huber, P. C.; Almeida, W. P.; Sabino, J. R.; Aparicio, R.","Tris[2-(1,3-thiazol-2-yl-κ<i>N</i>)-1<i>H</i>-benzimidazole-κ<i>N</i>^3^]zinc(II) dinitrate ethanol hemisolvate monohydrate at~100K","Acta Crystallographica Section C","2013","69","2","119","122","10.1107/S0108270112051372","","","0.71073","MoKα","","0.0476","0.0381","","","","0.1132","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018783","19.007","0.0014","3.8621","0.0003","15.137","0.0011","90","","107.41","0.0015","90","","1060.25","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,8-dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C56 H32 Cl8 -","4","1","GZ3224","Müller, Peter; Fronczek, Frank R.; Smith, Stacey J.; Mako, Teresa; Levine, Mindy","Two polymorphs of 1,8-dichloroanthracene","Acta Crystallographica Section C","2013","69","2","199","203","10.1107/S0108270113001790","","","0.71073","MoKα","","0.0305","0.0278","","","0.0809","0.0827","","","","","","1.146","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018784","15.331","0.002","3.8621","0.0005","18.087","0.002","90","","90","","90","","1070.9","0.2","90","2","90","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,8-dichloroanthracene","","- C14 H8 Cl2 -","- C14 H8 Cl2 -","- C56 H32 Cl8 -","4","1","GZ3224","Müller, Peter; Fronczek, Frank R.; Smith, Stacey J.; Mako, Teresa; Levine, Mindy","Two polymorphs of 1,8-dichloroanthracene","Acta Crystallographica Section C","2013","69","2","199","203","10.1107/S0108270113001790","","","0.71073","MoKα","","0.0303","0.028","","","0.0706","0.072","","","","","","1.058","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018785","8.9266","0.0004","8.9266","0.0004","22.0738","0.0014","90","","90","","120","","1523.28","0.14","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Copper scandium zirconium phosphate","","- Cu1.92 O12 P3 Sc Zr -","- Cu1.914 O12 P3 Sc Zr -","- Cu11.484 O72 P18 Sc6 Zr6 -","6","0.166667","KU3084","Bond, Andrew D.; Warner, Terence E.","Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K","Acta Crystallographica Section C","2013","69","2","105","110","10.1107/S0108270113000553","","","0.71073","MoKα","","0.022","0.0213","","","0.0504","0.0505","","","","","","1.298","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018786","8.9344","0.0005","8.9344","0.0005","22.0918","0.0016","90","","90","","120","","1527.19","0.16","200","2","200","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Copper scandium zirconium phosphate","","- Cu1.92 O12 P3 Sc Zr -","- Cu1.908 O12 P3 Sc Zr -","- Cu11.448 O72 P18 Sc6 Zr6 -","6","0.166667","KU3084","Bond, Andrew D.; Warner, Terence E.","Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K","Acta Crystallographica Section C","2013","69","2","105","110","10.1107/S0108270113000553","","","0.71073","MoKα","","0.0291","0.0265","","","0.0561","0.057","","","","","","1.194","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018787","8.9206","0.0007","8.9206","0.0007","22.071","0.002","90","","90","","120","","1521","0.2","300","2","300","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","Copper scandium zirconium phosphate","","- Cu1.92 O12 P3 Sc Zr -","- Cu1.926 O12 P3 Sc Zr -","- Cu11.556 O72 P18 Sc6 Zr6 -","6","0.166667","KU3084","Bond, Andrew D.; Warner, Terence E.","Copper scandium zirconium phosphate: occupancy of the <i>M</i>1 and <i>M</i>2 sites in the temperature range 100‒300K","Acta Crystallographica Section C","2013","69","2","105","110","10.1107/S0108270113000553","","","0.71073","MoKα","","0.0253","0.0226","","","0.0547","0.0576","","","","","","1.292","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018788","4.1792","0.0008","11.618","0.002","13.238","0.003","70.44","0.03","83.71","0.03","89.91","0.03","601.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(4-chloropyridinium) tetra-μ~2~-chlorido-tetrachloridotrimercury(II)]","","- C10 H10 Cl10 Hg3 N2 -","- C10 H10 Cl10 Hg3 N2 -","- C10 H10 Cl10 Hg3 N2 -","1","0.5","KU3085","Jin, Lei; Wu, De-Hong","Poly[bis(4-chloropyridinium) tetra-μ~2~-chlorido-tetrachloridotrimercurate(II)]","Acta Crystallographica Section C","2013","69","2","142","145","10.1107/S0108270113001807","","","0.71073","MoKα","","0.0585","0.0498","","","0.0994","0.104","","","","","","0.92","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018789","11.3855","0.0008","11.3863","0.0009","11.5351","0.0008","62.22","0.009","81.596","0.011","65.878","0.009","1205.7","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1,1'-Biadamantane-3,3'-diol","","- C20 H30 O2 -","- C20 H30 O2 -","- C60 H90 O6 -","3","1.5","KY3025","Domasevitch, Konstantin V.","1,1'-Biadamantane-3,3'-diol: a two-dimensional network supported by a `hexameric alcohol cluster' supramolecular synthon","Acta Crystallographica Section C","2013","69","2","175","178","10.1107/S0108270112051785","","","0.71073","MoKα","","0.0566","0.0344","","","0.0806","0.0859","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018790","8.517","0.004","21.699","0.009","14.301","0.006","90","","90.31","0.009","90","","2643","2","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-bromo-5-nitrosalicylaldehyde phenylhydrazone","","- C13 H10 Br N3 O3 -","- C13 H10 Br N3 O3 -","- C104 H80 Br8 N24 O24 -","8","2","LN3154","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.","Contrasting the supramolecular structures in the isomeric pair 5-bromo-3-nitrosalicylaldehyde phenylhydrazone and 3-bromo-5-nitrosalicylaldehyde phenylhydrazone","Acta Crystallographica Section C","2013","69","2","150","155","10.1107/S0108270112050822","","","0.71075","MoKα","","0.062","0.0524","","","0.1174","0.1224","","","","","","1.172","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018791","7.9022","0.0011","11.7662","0.0017","14.917","0.002","68.971","0.005","83.143","0.006","88.375","0.006","1285.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-3-nitrosalicylaldehyde phenylhydrazone","","- C13 H10 Br N3 O3 -","- C13 H10 Br N3 O3 -","- C52 H40 Br4 N12 O12 -","4","2","LN3154","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.","Contrasting the supramolecular structures in the isomeric pair 5-bromo-3-nitrosalicylaldehyde phenylhydrazone and 3-bromo-5-nitrosalicylaldehyde phenylhydrazone","Acta Crystallographica Section C","2013","69","2","150","155","10.1107/S0108270112050822","","","0.71075","MoKα","","0.0916","0.0525","","","0.1134","0.1312","","","","","","0.959","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018792","21.965","0.003","14.003","0.002","23.836","0.004","90","","106.08","0.003","90","","7044.5","1.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[tris(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] <i>cyclo</i>-tetravanadate undecahydrate","","- C60 H70 Co2 N12 O23 V4 -","- C60 H70 Co2 N12 O23 V4 -","- C240 H280 Co8 N48 O92 V16 -","4","0.5","SF3188","Zhang, Ke; Liang, Da-Dong; Wang, Ming-Hui; Liu, Yan; Luan, Guo-You","Bis[tris(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] <i>cyclo</i>-tetravanadate undecahydrate","Acta Crystallographica Section C","2013","69","2","138","141","10.1107/S0108270112051244","","","0.71073","MoKα","","0.0871","0.0468","","","0.0901","0.1041","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018793","4.8315","0.0012","19.976","0.005","6.3551","0.0013","90","","104.69","0.02","90","","593.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","9-deazahypoxanthine","3<i>H</i>-pyrrolo[3,2-<i>d</i>]pyrimidin-4(5<i>H</i>)-one","","- C6 H5 N3 O -","- C6 H5 N3 O -","- C24 H20 N12 O4 -","4","1","SK3467","Novotná, Radka; Trávníček, Zdeněk","Infinite ladder-like chains organized into a three-dimensional zigzag supramolecular architecture in 9-deazahypoxanthine","Acta Crystallographica Section C","2013","69","2","158","161","10.1107/S0108270112050767","","","0.71073","MoKα","","0.0879","0.0485","","","0.0919","0.1017","","","","","","0.937","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018794","9.7137","0.0019","8.0745","0.0016","15.396","0.003","90","","98.73","0.03","90","","1193.6","0.4","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","poly[[μ-4,4'-(diazenediyl)dipyridine]-μ~2~-iodido-copper(I)]","","- C10 H8 Cu I N4 -","- C10 H8 Cu I N4 -","- C40 H32 Cu4 I4 N16 -","4","1","SK3470","Huang, Wenjiang; Zhang, Jinfang; Li, Jianghua; Zhang, Chi","A twofold interwoven two-dimensional→two-dimensional (2-D→2-D) cluster‒organic network based on the [Cu~2~I~2~] cluster and the 4,4'-(diazenediyl)dipyridine ligand: poly[[μ~2~-4,4'-(diazenediyl)dipyridine]-μ~2~-iodido-copper(I)]","Acta Crystallographica Section C","2013","69","2","123","126","10.1107/S0108270113000942","","","0.71073","MoKα","","0.0876","0.0603","","","0.0838","0.0934","","","","","","1.169","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018795","3.937","0.0009","11.977","0.003","21.482","0.006","90","","90","","90","","1013","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Allyloxy-7-chloroquinoline","","- C12 H10 Cl N O -","- C12 H10 Cl N O -","- C48 H40 Cl4 N4 O4 -","4","1","SK3473","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N.","Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking","Acta Crystallographica Section C","2013","69","2","191","194","10.1107/S0108270113001510","","","0.71075","MoKα","","0.0371","0.0321","","","0.0733","0.0754","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018796","3.812","0.0004","10.9801","0.0011","20.348","0.002","90","","93.591","0.007","90","","850.02","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-Chloro-4-methoxyquinoline","","- C10 H8 Cl N O -","- C10 H8 Cl N O -","- C40 H32 Cl4 N4 O4 -","4","1","SK3473","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N.","Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking","Acta Crystallographica Section C","2013","69","2","191","194","10.1107/S0108270113001510","","","0.71075","MoKα","","0.0454","0.0353","","","0.092","0.097","","","","","","1.069","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018797","3.932","0.01","11.98","0.03","20.86","0.06","90","","90.56","0.06","90","","983","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","7-Chloro-4-ethoxyquinoline","","- C11 H10 Cl N O -","- C11 H10 Cl N O -","- C44 H40 Cl4 N4 O4 -","4","1","SK3473","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; de Cardoso, Laura N.; De Souza, Marcus V. N.","Substituted 4-alkoxy-7-Cl-quinolines exhibiting π‒π stacking","Acta Crystallographica Section C","2013","69","2","191","194","10.1107/S0108270113001510","","","0.71075","MoKα","","0.2044","0.1091","","","0.2499","0.3243","","","","","","0.823","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018798","67.0788","0.0015","4.4717","0.0001","18.2399","0.0004","90","","101.216","0.002","90","","5366.7","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,2-Dibromo-4,5-bis(decyloxy)benzene","","- C26 H44 Br2 O2 -","- C26 H44 Br2 O2 -","- C208 H352 Br16 O16 -","8","1","UK3060","Fonrouge, Ana; Cecchi, Florencia; Alborés, Pablo; Baggio, Ricardo; Cukiernik, Fabio D.","Relative influence of noncovalent interactions on the melting points of a homologous series of 1,2-dibromo-4,5-dialkoxybenzenes","Acta Crystallographica Section C","2013","69","2","204","208","10.1107/S0108270113002485","","","0.7107","MoKα","","0.0724","0.0692","","","0.1836","0.1844","","","","","","1.21","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018799","50.158","0.005","8.36","0.003","9.248","0.003","90","","94.136","0.005","90","","3867.8","1.9","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1,2-Dibromo-4,5-bis(hexadecyloxy)benzene","","- C38 H68 Br2 O2 -","- C38 H68 Br2 O2 -","- C152 H272 Br8 O8 -","4","1","UK3060","Fonrouge, Ana; Cecchi, Florencia; Alborés, Pablo; Baggio, Ricardo; Cukiernik, Fabio D.","Relative influence of noncovalent interactions on the melting points of a homologous series of 1,2-dibromo-4,5-dialkoxybenzenes","Acta Crystallographica Section C","2013","69","2","204","208","10.1107/S0108270113002485","","","0.71069","MoKα","","0.0387","0.024","","","0.0516","0.0533","","","","","","0.841","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018800","9.0535","0.0013","9.6033","0.0014","9.6034","0.0014","104.944","0.004","91.574","0.004","113.765","0.004","730.11","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[bis(ethane-1,2-diamine- κ^2^<i>N</i>,<i>N</i>')platinum(II)]-μ-thiocyanato-κ^2^<i>S</i>:<i>S</i>- [bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')platinum(IV)]-μ- thiocyanato-κ^2^<i>S</i>:<i>S</i>] tetrakis(perchlorate)]","","- C10 H32 Cl4 N10 O16 Pt2 S2 -","- C10 H32 Cl4 N10 O16 Pt2 S2 -","- C10 H32 Cl4 N10 O16 Pt2 S2 -","1","0.5","WQ3023","Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro","A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine)","Acta Crystallographica Section C","2013","69","2","146","149","10.1107/S0108270113000541","","","0.71073","MoKα","","0.0293","0.0263","","","0.0698","0.0718","","","","","","1.175","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018801","30.515","0.002","8.3572","0.0009","7.443","0.0007","90","","96.507","0.003","90","","1885.9","0.3","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","Bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>S</i>)platinum(IV) bis(perchlorate) 1.5-hydrate","","- C6 H19 Cl2 N6 O9.5 Pt S2 -","- C6 H19 Cl2 N6 O9.5 Pt S2 -","- C24 H76 Cl8 N24 O38 Pt4 S8 -","4","1","WQ3023","Ozawa, Yoshiki; Kim, Misa; Toriumi, Koshiro","A one-dimensional platinum mixed-valence complex with bridging thiocyanate S atoms: [[Pt^II^(en)~2~](μ-SCN)[Pt^IV^(en)~2~](μ-SCN)](ClO~4~)~4~ (en is ethane-1,2-diamine)","Acta Crystallographica Section C","2013","69","2","146","149","10.1107/S0108270113000541","","","0.71073","MoKα","","0.0213","0.02","","","0.0407","0.0416","","","","","","0.839","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018802","7.399","0.0005","9.609","0.003","12.449","0.003","73.3","0.02","82.68","0.014","72.693","0.013","808.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl <i>N</i>-{2-amino-5-formyl-6-[methyl(phenyl)amino]pyrimidin-4-yl}glycinate","","- C16 H19 N5 O3 -","- C16 H19 N5 O3 -","- C32 H38 N10 O6 -","2","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0786","0.0452","","","0.103","0.1201","","","","","","1.022","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018803","20.045","0.004","8.6868","0.0007","17.99","0.003","90","","114.064","0.011","90","","2860.3","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-{2-Amino-5-formyl-6-[methyl(phenyl)amino]pyrimidin-4-yl}glycinamide","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C112 H128 N48 O16 -","8","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0765","0.0491","","","0.1049","0.1189","","","","","","1.123","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018804","16.707","0.006","10.218","0.002","20.733","0.005","90","","105.929","0.019","90","","3403.5","1.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 3-amino-<i>N</i>-{2-amino-5-formyl-6-[methyl(phenyl)amino]pyrimidin- 4-yl}propionate","","- C17 H21 N5 O3 -","- C17 H21 N5 O3 -","- C136 H168 N40 O24 -","8","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0798","0.0441","","","0.0825","0.0948","","","","","","1.087","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018805","15.636","0.004","6.5674","0.0018","17.336","0.005","90","","113.44","0.018","90","","1633.3","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl <i>N</i>-{2-amino-6-[benzyl(methyl)amino]-5-formylpyrimidin-4-yl}glycinate","","- C16 H19 N5 O3 -","- C16 H19 N5 O3 -","- C64 H76 N20 O12 -","4","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0872","0.0589","","","0.1417","0.1646","","","","","","1.089","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018806","24.8226","0.0005","7.1379","0.0014","20.601","0.002","90","","106.213","0.008","90","","3504.9","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 3-amino-<i>N</i>-{2-amino-6-[benzyl(methyl)amino]-5-formylpyrimidin- 4-yl}propionate","","- C18 H23 N5 O3 -","- C18 H23 N5 O3 -","- C144 H184 N40 O24 -","8","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0816","0.0453","","","0.0898","0.1038","","","","","","1.058","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018807","8.04","0.004","10.391","0.003","10.458","0.008","109.16","0.03","98.19","0.05","103.1","0.03","781.2","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","ethyl 3-amino-<i>N</i>-[2-amino-5-formyl-6-(piperidin-4-yl)pyrimidin-4-yl]propionate","","- C15 H23 N5 O3 -","- C15 H23 N5 O3 -","- C30 H46 N10 O6 -","2","1","YF3022","Acosta, Lina M.; Yepes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Six closely related 4,6-disubstituted 2-amino-5-formylpyrimidines: different ring conformations, polarized electronic structures, and hydrogen-bonded assembly in zero, one, two and three dimensions","Acta Crystallographica Section C","2013","69","2","162","171","10.1107/S0108270112051049","","","0.71073","MoKα","","0.0772","0.0512","","","0.1181","0.1342","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018808","7.9609","0.0007","11.2732","0.0009","15.8323","0.0011","101.794","0.006","95.41","0.007","109.767","0.008","1288.2","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Bis(4-(2,3-dichlorophenyl)-1-{4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7- yl)oxy]butyl}piperazin-1-ium); oxalate; oxalic acid","","- C50 H58 Cl4 N6 O12 -","- C50 H58 Cl4 N6 O12 -","- C50 H58 Cl4 N6 O12 -","1","0.5","YF3023","Freire, Eleonora; Polla, Griselda; Baggio, Ricardo","Aripiprazole salts. III. Bis(aripiprazolium) oxalate‒oxalic acid (1/1)","Acta Crystallographica Section C","2013","69","2","186","190","10.1107/S0108270113001133","","","0.71073","MoKα","","0.0942","0.0574","","","0.1373","0.1599","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018809","4.957","0.002","8.737","0.003","13.562","0.005","93.22","0.03","97.02","0.03","91.05","0.03","581.8","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","5-Methyl-<i>N</i>-[2-nitro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole- 3-amine","","- C11 H9 F3 N4 O2 -","- C11 H9 F3 N4 O2 -","- C22 H18 F6 N8 O4 -","2","1","YF3024","Portilla, Jaime; Ontiveros, Ina; Cobo, Justo; Glidewell, Christopher","5-Methyl-<i>N</i>-[2-nitro-4-(trifluoromethyl)phenyl]-1<i>H</i>-pyrazole-3-amine: a chain of hydrogen-bonded <i>R</i>~2~^2^(6) and <i>R</i>~2~^2^(16) rings","Acta Crystallographica Section C","2013","69","2","172","174","10.1107/S0108270113000607","","","0.71073","MoKα","","0.0618","0.0459","","","0.1133","0.1246","","","","","","1.071","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018810","6.8162","0.0012","10.6307","0.0011","13.924","0.0014","90","","96.954","0.018","90","","1001.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Zoledronic acid","1-(2-Hydroxy-2-phosphonato-2-phosphonoethyl)-1<i>H</i>-imidazol-3-ium","","- C5 H10 N2 O7 P2 -","- C5 H10 N2 O7 P2 -","- C20 H40 N8 O28 P8 -","4","1","BI3053","Chernyshev, Vladimir V.; Shkavrov, Sergey V.; Paseshnichenko, Ksenia A.; Puryaeva, Tamara P.; Velikodny, Yurii A.","Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data","Acta Crystallographica Section C","2013","69","3","263","266","10.1107/S0108270113003089","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.603","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018811","8.4217","0.0013","8.6039","0.0011","8.1818","0.0012","92.778","0.016","112.415","0.017","116.072","0.019","475.33","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Zoledronic acid","1-(2-Hydroxy-2-phosphonato-2-phosphonoethyl)-1<i>H</i>-imidazol-3-ium","","- C5 H10 N2 O7 P2 -","- C5 H10 N2 O7 P2 -","- C10 H20 N4 O14 P4 -","2","1","BI3053","Chernyshev, Vladimir V.; Shkavrov, Sergey V.; Paseshnichenko, Ksenia A.; Puryaeva, Tamara P.; Velikodny, Yurii A.","Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data","Acta Crystallographica Section C","2013","69","3","263","266","10.1107/S0108270113003089","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.133","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018812","7.5894","0.0007","10.55","0.001","11.238","0.002","62.88","0.01","71.89","0.01","77.782","0.009","758.6","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,3,6,7,10,11-Hexahydroxytriphenylene methanol monosolvate","","- C19 H16 O7 -","- C19 H16 O7 -","- C38 H32 O14 -","2","1","CU3018","Karmakar, Anirban; Platero-Prats, Ana E.; Öhrström, Lars","A new methanol solvate and Hirshfeld analysis of π-stacking in 2,3,6,7,10,11-hexahydroxytriphenylene solvates","Acta Crystallographica Section C","2013","69","3","251","254","10.1107/S0108270113001893","","","0.71073","MoKα","","0.0956","0.0525","","","0.0927","0.1141","","","","","","0.974","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018813","13.718","0.01","11.542","0.008","17.946","0.013","90","","108.134","0.013","90","","2700","3","300","2","300","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","SHELXL-97","Perchlorotriphenylmethyl","","- C19 Cl15 -","- C19 Cl15 -","- C76 Cl60 -","4","0.5","DT3016","Guasch, Judith; Fontrodona, Xavier; Ratera, Imma; Rovira, Concepció; Veciana, Jaume","The perchlorotriphenylmethyl (PTM) radical","Acta Crystallographica Section C","2013","69","3","255","257","10.1107/S0108270113002072","","","0.71073","MoKα","","0.2132","0.0925","","","0.2736","0.3455","","","","","","0.957","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018814","10.0002","0.0009","10.1568","0.0008","10.2186","0.0008","89.906","0.006","66.363","0.005","75.805","0.005","916.32","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(μ-4,4'-bi-1<i>H</i>-pyrazole-κ^2^<i>N</i>^2^:<i>N</i>^2'^)bis(3-carboxyadamantane-1-carboxylato-κ<i>O</i>^1^)cobalt(II)] dihydrate]","","- C36 H46 Co N8 O10 -","- C36 H46 Co N8 O10 -","- C36 H46 Co N8 O10 -","1","0.5","EG3109","Nazarenko, Olga M.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Cobalt(II) and cadmium(II) square grids supported with 4,4'-bipyrazole and accommodating 3-carboxyadamantane-1-carboxylate","Acta Crystallographica Section C","2013","69","3","232","236","10.1107/S0108270113003405","","","0.71073","MoKα","","0.0736","0.051","","","0.1135","0.1247","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018815","14.5363","0.0012","14.9862","0.0013","18.3813","0.0017","90","","105.384","0.007","90","","3860.8","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis(μ-4,4'-bi-1<i>H</i>-pyrazole-κ^2^<i>N</i>^2^:<i>N</i>^2'^)bis(3-carboxyadamantane-1-carboxylato-κ<i>O</i>^1^)cadmium(II)] dihydrate]","","- C36 H46 Cd N8 O10 -","- C36 H46 Cd N8 O10 -","- C144 H184 Cd4 N32 O40 -","4","0.5","EG3109","Nazarenko, Olga M.; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.","Cobalt(II) and cadmium(II) square grids supported with 4,4'-bipyrazole and accommodating 3-carboxyadamantane-1-carboxylate","Acta Crystallographica Section C","2013","69","3","232","236","10.1107/S0108270113003405","","","0.71073","MoKα","","0.0685","0.0442","","","0.071","0.0772","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018816","10.978","0.0003","12.7452","0.0003","12.7755","0.0003","63.131","0.002","68.173","0.002","83.141","0.002","1477.67","0.07","120.3","","120","","","","","","","","","7","P -1","-P 1","2","","<i>trans</i>-Bis(dimethylformamide-κ<i>O</i>)bis[<i>N</i>,<i>N</i>'-<i>N</i>'',<i>N</i>'''-tetra-<i>tert</i>-butyloxybis(phosphonic diamide-κ<i>O</i>)]manganese(II) dichloride dihydrate","","- C38 H98 Cl2 Mn N10 O10 P4 -","- C38 H98 Cl2 Mn N10 O10 P4 -","- C38 H98 Cl2 Mn N10 O10 P4 -","1","0.5","FA3292","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Fejfarová, Karla; Dušek, Michal","A novel amido‒pyrophosphate Mn^II^ chelate complex with the synthetic ligand O{P(O)[NHC(CH~3~)~3~]~2~}~2~ (<i>L</i>): [Mn(<i>L</i>)~2~{OC(H)N(CH~3~)~2~}~2~]Cl~2~·2H~2~O","Acta Crystallographica Section C","2013","69","3","225","228","10.1107/S0108270113000814","","","1.5418","CuKα","","0.0278","0.027","","","0.0849","0.0856","","","","","","1.71","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018817","10.548","0.002","18.669","0.004","24.795","0.006","90","","92.687","0.005","90","","4877.3","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[tetraaquadi-μ~4~-citrato-tetrakis(2,6-diaminopurine)tetracobalt(II)] 6.35-hydrate]","","- C32 H52.68 Co4 N24 O24.35 -","- C32 H46 Co4 N24 O24.33 -","- C128 H184 Co16 N96 O97.32 -","4","0.5","FN3122","Atria, Ana María; Parada, José; Garland, Maria Teresa; Baggio, Ricardo","A polymeric cobalt(II) complex derived from citric acid (H~4~cit) and 2,6-diaminopurine (dap): {[Co~4~(cit)~2~(dap)~4~(H~2~O)~4~]·6.35H~2~O}~<i>n~</i>","Acta Crystallographica Section C","2013","69","3","212","215","10.1107/S0108270113002230","","","0.71073","MoKα","","0.0657","0.0591","","","0.1196","0.1218","","","","","","1.266","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018818","8.1032","0.0003","10.0065","0.0003","8.8704","0.0004","90","","90.609","0.004","90","","719.21","0.05","294.42","0.1","294.42","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","3',5'-diacetyl-O^2^,2-cyclouridine","2,2'-Anhydro-1-(2'-deoxy-3',5'-di-<i>O</i>-acety-β-<i>D</i>- arabinofuranosyl)uracil","","- C13 H14 N2 O7 -","- C13 H14 N2 O7 -","- C26 H28 N4 O14 -","2","1","FN3123","Fu, Ying; He, Yin-Xia; Hou, Hong-Xia; Zhu, Wen-Bo; Li, Hu-Lin; Wu, Chao; Xian, Fang-Yan","2,2'-Anhydro-1-(3',5'-di-<i>O</i>-acetyl-β-<small>D</small>-arabinofuranosyl)uracil, a cyclouridine nucleoside with a C4'-<i>endo</i> furanosyl conformation","Acta Crystallographica Section C","2013","69","3","282","284","10.1107/S0108270113000395","","","0.7107","MoKα","","0.0468","0.0394","","","0.083","0.0913","","","","","","1.086","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018819","29.8145","0.0005","29.8145","0.0005","10.2028","0.0002","90","","90","","120","","7854.3","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","(±)-<i>exo</i>,<i>syn</i>-(1<i>RS</i>,2<i>SR</i>,5<i>SR</i>)-8-Benzyl-2- [(<i>SR</i>)-(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-one","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C378 H396 Br18 N18 O36 -","18","1","GZ3222","Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna","Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones","Acta Crystallographica Section C","2013","69","3","303","306","10.1107/S0108270113002503","","","0.71073","MoKα","","0.0435","0.0331","","","0.077","0.0814","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018820","5.96905","0.00004","14.7659","0.00009","20.76083","0.00013","90","","90","","90","","1829.83","0.02","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(+)-<i>exo</i>,<i>anti</i>-(1<i>R</i>,2<i>S</i>,5<i>S</i>)-8-Benzyl- 2-[(<i>R</i>)-(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-one","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","1","GZ3222","Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna","Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones","Acta Crystallographica Section C","2013","69","3","303","306","10.1107/S0108270113002503","","","0.71073","MoKα","","0.0363","0.0328","","","0.0782","0.08","","","","","","1.036","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018821","9.0968","0.0004","32.068","0.0018","6.1711","0.0004","90","","90","","90","","1800.21","0.17","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(±)-<i>exo</i>,<i>anti</i>-(1<i>RS</i>,2<i>SR</i>,5<i>SR</i>)-8-Benzyl-2- [(<i>RS</i>)-(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-one","","- C21 H22 Br N O2 -","- C21 H22 Br N O2 -","- C84 H88 Br4 N4 O8 -","4","1","GZ3222","Brzezinski, Krzysztof; Lazny, Ryszard; Nodzewska, Aneta; Sidorowicz, Katarzyna","Relative configuration, absolute configuration and absolute structure of three isomeric 8-benzyl-2-[(4-bromophenyl)(hydroxy)methyl]-8-azabicyclo[3.2.1]octan-3-ones","Acta Crystallographica Section C","2013","69","3","303","306","10.1107/S0108270113002503","","","0.71073","MoKα","","0.0365","0.0312","","","0.0648","0.0672","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018822","6.9532","0.0004","8.4323","0.0005","11.9669","0.0007","94.706","0.001","91.257","0.001","110.892","0.001","652.31","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","(1<i>R</i><i>S</i>,3<i>R</i><i>S</i>,4<i>R</i><i>S</i>,10<i>S</i><i>R</i>)-2,2,3,10-Tetrabromo-1,2,3,4-tetrahydro-1,4-ethanonaphthalene","","- C12 H10 Br4 -","- C12 H10 Br4 -","- C24 H20 Br8 -","2","1","GZ3227","Boeré, René T.; Bender, Christopher O.","A tetrabromo-1,4-ethanonaphthalene and related dibromo-1,4-ethenonaphthalene","Acta Crystallographica Section C","2013","69","3","247","250","10.1107/S010827011300231X","","","0.71073","MoKα","","0.0245","0.0219","","","0.0541","0.0552","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018823","9.52","0.003","6.5032","0.0018","17.124","0.005","90","","100.826","0.003","90","","1041.3","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2,3-Dibromobenzobarrelene","(1<i>S</i><i>R</i>,4<i>R</i><i>S</i>)-2,3-dibromo-1,4-ethenonaphthalene","","- C12 H8 Br2 -","- C12 H8 Br2 -","- C48 H32 Br8 -","4","1","GZ3227","Boeré, René T.; Bender, Christopher O.","A tetrabromo-1,4-ethanonaphthalene and related dibromo-1,4-ethenonaphthalene","Acta Crystallographica Section C","2013","69","3","247","250","10.1107/S010827011300231X","","","0.71073","MoKα","","0.0243","0.0195","","","0.0471","0.0489","","","","","","1.032","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018824","9.0919","0.0009","6.0956","0.0006","8.9673","0.0009","90","","114.986","0.004","90","","450.46","0.08","220","","220","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,4-Diethylbenzene","","- C10 H14 -","- C10 H14 -","- C20 H28 -","2","0.5","GZ3229","Yufit, Dmitry S.","The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene","Acta Crystallographica Section C","2013","69","3","273","276","10.1107/S0108270113003041","","","0.71073","MoKα","","0.0993","0.0706","","","0.2391","0.2771","","","","","","1.101","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018825","13.556","0.003","15.931","0.003","7.7562","0.0016","90","","90","","90","","1675","0.6","120","","120","","","","","","","","","2","F d d 2","F 2 -2d","43","","1,2-Diethylbenzene","","- C10 H14 -","- C10 H14 -","- C80 H112 -","8","0.5","GZ3229","Yufit, Dmitry S.","The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene","Acta Crystallographica Section C","2013","69","3","273","276","10.1107/S0108270113003041","","","0.71073","MoKα","","0.0353","0.0351","","","0.0896","0.0906","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018826","5.6138","0.0005","14.97","0.001","8.0481","0.001","90","","102.18","0.02","90","","661.13","0.12","160","2","160","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","ethyl benzene","Ethylbenzene","","- C8 H10 -","- C8 H10 -","- C32 H40 -","4","1","GZ3229","Yufit, Dmitry S.","The low-melting compounds 1,4-diethyl-, 1,2-diethyl- and ethylbenzene","Acta Crystallographica Section C","2013","69","3","273","276","10.1107/S0108270113003041","","","0.71073","Mo-Kα","","0.0453","0.0382","","","0.1094","0.1168","","","","","","1.006","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018827","6.8035","0.0014","21.209","0.004","9.0101","0.0018","90","","92.64","0.03","90","","1298.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(1-aza-4-azoniabicyclo[2.2.2]octane)di-μ~3~-chlorido-tetra-μ~2~-chlorido-dichloridotricadmium(II)] dihydrate]","","- C12 H30 Cd3 Cl8 N4 O2 -","- C12 H30 Cd3 Cl8 N4 O2 -","- C24 H60 Cd6 Cl16 N8 O4 -","2","0.5","KY3023","Zhou, Qin-Qin; Jin, Lei; Liao, Wei-Qiang; Zhang, Yi","A potential molecular ferroelectric material: poly[[bis(1-aza-4-azoniabicyclo[2.2.2]octane)di-μ~3~-chlorido-tetra-μ~2~-chlorido-dichloridotricadmium(II)] dihydrate]","Acta Crystallographica Section C","2013","69","3","237","240","10.1107/S0108270113003892","","","0.71073","MoKα","","0.0331","0.0287","","","0.0628","0.0644","","","","","","1.137","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018828","13.5444","0.0014","11.9489","0.0013","18.518","0.002","90","","105.826","0.001","90","","2883.4","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[(3,4,7,8-tetramethyl-1,10-phenanthroline)cadmium(II)]-μ~3~-4,4'-sulfonyldibenzoato] trihydrate]","","- C30 H30 Cd N2 O9 S -","- C30 H30 Cd N2 O9 S -","- C120 H120 Cd4 N8 O36 S4 -","4","1","QS3020","Wang, Jun; Tao, Jian-Qing; Xu, Xiao-Juan; Tan, Chun-Yun","A one-dimensional coordination polymer with a three-dimensional supramolecular framework: <i>catena</i>-poly[[[(3,4,7,8-tetramethyl-1,10-phenanthroline)cadmium(II)]-μ~3~-4,4'-sulfonyldibenzoato] trihydrate]","Acta Crystallographica Section C","2013","69","3","241","243","10.1107/S0108270113001352","","","0.71073","MoKα","","0.067","0.0406","","","0.0866","0.1105","","","","","","0.999","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018829","13.365","0.005","5.714","0.003","15.357","0.003","90","","102.98","0.03","90","","1142.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[diaqua(4-hydroxybenzohydrazide)zinc(II)]-μ-sulfato]","","- C7 H12 N2 O8 S Zn -","- C7 H12 N2 O8 S Zn -","- C28 H48 N8 O32 S4 Zn4 -","4","1","QS3021","Zasłona, Halina; Drożdżewski, Piotr; Barys, Maciej","A helical coordination polymer of zinc(II), 4-hydroxybenzohydrazide and sulfate ions","Acta Crystallographica Section C","2013","69","3","229","231","10.1107/S0108270113002758","","","0.71073","MoKα","","0.0343","0.026","","","0.0667","0.0684","","","","","","1.039","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018830","14.4952","0.0015","16.5419","0.0019","7.9715","0.0008","90","","90.858","0.015","90","","1911.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","afobazole","5-Ethoxy-2-[2-(morpholin-4-ium-4-yl)ethylsulfanyl]-1<i>H</i>-benzimidazol-3-ium dichloride","","- C15 H23 Cl2 N3 O2 S -","- C15 H23 Cl2 N3 O2 S -","- C60 H92 Cl8 N12 O8 S4 -","4","1","SF3190","Chernyshev, Vladimir V.; Petkune, Sanita; Actins, Andris; Auzins, Raimonds; Davlyatshin, Dmitry I.; Nosyrev, Pavel V.; Velikodny, Yurii A.","Two polymorphs of afobazole from powder diffraction data","Acta Crystallographica Section C","2013","69","3","299","302","10.1107/S0108270113004502","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","1.6942","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018831","9.791","0.0011","18.2689","0.0019","10.5687","0.0012","90","","103.225","0.017","90","","1840.3","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","afobazole","5-Ethoxy-2-[2-(morpholin-4-ium-4-yl)ethylsulfanyl]-1<i>H</i>-benzimidazol-3-ium dichloride","","- C15 H23 Cl2 N3 O2 S -","- C15 H23 Cl2 N3 O2 S -","- C60 H92 Cl8 N12 O8 S4 -","4","1","SF3190","Chernyshev, Vladimir V.; Petkune, Sanita; Actins, Andris; Auzins, Raimonds; Davlyatshin, Dmitry I.; Nosyrev, Pavel V.; Velikodny, Yurii A.","Two polymorphs of afobazole from powder diffraction data","Acta Crystallographica Section C","2013","69","3","299","302","10.1107/S0108270113004502","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","","2.552","","","","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018832","12.809","0.006","4.541","0.002","18.788","0.009","90","","97.621","0.007","90","","1083.2","0.9","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","Poly[[μ~2~-1,3-bis(2-methylimidazol-1-yl)propane]di-μ~4~-iodido-di-μ~3~-iodido-silver(I)]","","- C11 H16 Ag4 I4 N4 -","- C11 H16 Ag4 I4 N4 -","- C22 H32 Ag8 I8 N8 -","2","0.5","SF3192","Yuan, Shuai; Liu, Shan-Shan; Lu, Hai-Feng; Xu, Meng-Zhen; Sun, Di","A two-dimensional silver‒iodide organic network constructed from a unique [Ag~6~I~6~] hexagonal prism-based one-dimensional column motif","Acta Crystallographica Section C","2013","69","3","216","218","10.1107/S0108270113002916","","","0.71073","MoKα","","0.0924","0.0564","","","0.1265","0.141","","","","","","1.006","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018833","8.597","0.003","18.023","0.004","15.852","0.004","90","","90","","90","","2456.2","1.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Dimethyl (3-{[<i>tert</i>-butoxycarbonylglycyl-α,β-(<i>Z</i>)-dehydrophenylalanyl]amino}propyl)phosphonate","","- C21 H32 N3 O7 P -","- C21 H32 N3 O7 P -","- C84 H128 N12 O28 P4 -","4","1","SK3464","Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz","Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~","Acta Crystallographica Section C","2013","69","3","277","281","10.1107/S0108270113002539","","","0.71073","MoKα","","0.0758","0.067","","","0.1229","0.1259","","","","","","1.231","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018834","10.131","0.004","12.866","0.005","13.368","0.005","68.9","0.04","75.94","0.04","84.11","0.04","1576.7","1.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Diethyl (4-{[<i>tert</i>-butoxycarbonylglycyl-\ α,β-(<i>Z</i>)-dehydrophenylalanyl]amino}butyl)phosphonate propan-2-ol monosolvate 0.122-hydrate","","- C27 H46.24 N3 O8.12 P -","- C26.9999 H46.244 N3 O8.122 P -","- C53.9998 H92.488 N6 O16.244 P2 -","2","1","SK3464","Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz","Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~","Acta Crystallographica Section C","2013","69","3","277","281","10.1107/S0108270113002539","","","0.71073","MoKα","","0.097","0.0454","","","0.0835","0.0905","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018835","10.047","0.003","12.667","0.004","13.499","0.004","69.16","0.04","76.54","0.04","83.89","0.04","1560.9","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","<i>tert</i>-butoxycarbonylglycyl-α,β-(<i>Z</i>)- dehydrophenylalanyl-1̆-aminobutyl)phosphonic acid diethyl ester ethanol water solvate","","- C26 H44.16 N3 O8.08 P -","- C26 H44.152 N3 O8.076 P -","- C52 H88.304 N6 O16.152 P2 -","2","1","SK3464","Brzuszkiewicz, Anna; Makowski, Maciej; Lisowski, Marek; Lis, Elżbieta; Otreba, Marta; Lis, Tadeusz","Two phosphonodehydrotripeptides: Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Abu^3^PO~3~Me~2~ and Boc^0^‒Gly^1^‒Δ(<i>Z</i>)Phe^2^‒α-Nva^3^PO~3~Et~2~","Acta Crystallographica Section C","2013","69","3","277","281","10.1107/S0108270113002539","","","0.71073","MoKα","","0.0701","0.0442","","","0.1223","0.1305","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018836","32.35","0.003","9.9963","0.0003","20.8851","0.0016","90","","128.423","0.013","90","","5291.2","1.2","99.9","0.3","99.9","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-methylaniline}palladium(II) acetonitrile monosolvate","","- C28 H25 Cl2 N2 P Pd -","- C28 H25 Cl2 N2 P Pd -","- C224 H200 Cl16 N16 P8 Pd8 -","8","1","SK3474","Motswainyana, William M.; Onani, Martin O.; Jacobs, Jeroen; Van Meervelt, Luc","Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2-methylaniline}palladium(II) acetonitrile monosolvate","Acta Crystallographica Section C","2013","69","3","209","211","10.1107/S0108270113002333","","","0.71073","MoKα","","0.0388","0.032","","","0.0713","0.0752","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018837","11.5273","0.0009","13.4634","0.001","8.3956","0.0006","90","","90","","90","","1302.97","0.17","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>N</i>-Cyclohexyl-2-(methylsulfanyl)nicotinamide","","- C13 H18 N2 O S -","- C13 H18 N2 O S -","- C52 H72 N8 O4 S4 -","4","1","SK3475","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N.","Three 2-(methysulfanyl)nicotinamides","Acta Crystallographica Section C","2013","69","3","293","298","10.1107/S0108270113004344","","","0.71075","MoKα","","0.0245","0.0238","","","0.063","0.0635","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018838","11.42","0.02","8.58","0.019","23.61","0.05","90","","94.15","0.03","90","","2307","8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Isopropyl-2-(methylsulfanyl)nicotinamide","","- C10 H14 N2 O S -","- C10 H14 N2 O S -","- C80 H112 N16 O8 S8 -","8","2","SK3475","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N.","Three 2-(methysulfanyl)nicotinamides","Acta Crystallographica Section C","2013","69","3","293","298","10.1107/S0108270113004344","","","0.6889","synchrotron","","0.1864","0.1194","","","0.2995","0.3657","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018839","7.194","0.002","7.285","0.003","22.388","0.008","90","","90.341","0.005","90","","1173.3","0.7","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Hydroxyethyl)-2-(methylsulfanyl)nicotinamide dihydrate","","- C9 H16 N2 O4 S -","- C9 H16 N2 O4 S -","- C36 H64 N8 O16 S4 -","4","1","SK3475","Gomes, Ligia R.; Low, John Nicolson; Wardell, James L.; Pinheiro, Alessandra C.; Mendonça, Thais C. N. de; de Souza, Marcus V. N.","Three 2-(methysulfanyl)nicotinamides","Acta Crystallographica Section C","2013","69","3","293","298","10.1107/S0108270113004344","","","0.71075","MoKα","","0.0283","0.0269","","","0.0701","0.0711","","","","","","1.067","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018840","8.071","0.0003","13.0867","0.0005","15.2422","0.0007","81.885","0.002","81.742","0.003","79.87","0.002","1557.26","0.11","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","Diaquatetrakis[1,4-bis(pyridazin-4-yl)benzene-κ<i>N</i>^2^]cadmium(II) hexaiodidodicadmate(II)","","- C56 H44 Cd3 I6 N16 O2 -","- C56 H44 Cd3 I6 N16 O2 -","- C56 H44 Cd3 I6 N16 O2 -","1","0.5","TP3018","Degtyarenko, Anna S.; Domasevitch, Konstantin V.","Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and π‒π stacking interactions","Acta Crystallographica Section C","2013","69","3","219","224","10.1107/S0108270113002801","","","0.71073","MoKα","","0.0446","0.0292","","","0.0557","0.0611","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018841","5.9018","0.0006","7.6619","0.0009","9.2433","0.001","88.98","0.012","75.434","0.011","87.049","0.012","404","0.08","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-1,4-bis(pyridazin-4-yl)benzene-κ^2^<i>N</i>^2^:<i>N</i>^2'^]bis(μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>)cadmium(II)]","","- C16 H10 Cd N6 S2 -","- C16 H10 Cd N6 S2 -","- C16 H10 Cd N6 S2 -","1","0.5","TP3018","Degtyarenko, Anna S.; Domasevitch, Konstantin V.","Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and π‒π stacking interactions","Acta Crystallographica Section C","2013","69","3","219","224","10.1107/S0108270113002801","","","0.71073","MoKα","","0.0193","0.0185","","","0.048","0.0483","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018842","11.865","0.0003","12.242","0.0003","14.7287","0.0003","68.075","0.001","81.665","0.001","80.437","0.001","1948.99","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-{4-[(<i>E</i>)-3-(4-Methoxyphenyl)prop-2-enoyl]phenyl}benzenesulfonamide","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","2","UK3058","de Castro, Mirian R. C.; Aragão, Angelo Q.; Napolitano, Hamilton B.; Noda-Perez, Caridad; Martins, Felipe T.","An additional methylene group driving the conformation and assembly of two arylsulfonamide <i>para</i>-alkoxychalcone hybrids","Acta Crystallographica Section C","2013","69","3","267","272","10.1107/S0108270113002291","","","0.71073","MoKα","","0.0921","0.0535","","","","0.1516","","","","","","1.015","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018843","8.4506","0.0002","20.1587","0.0006","14.212","0.0003","90","","119.098","0.002","90","","2115.49","0.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{4-[(<i>E</i>)-3-(4-Ethoxyphenyl)prop-2-enoyl]phenyl}benzenesulfonamide","","- C23 H21 N O4 S -","- C23 H21 N O4 S -","- C92 H84 N4 O16 S4 -","4","1","UK3058","de Castro, Mirian R. C.; Aragão, Angelo Q.; Napolitano, Hamilton B.; Noda-Perez, Caridad; Martins, Felipe T.","An additional methylene group driving the conformation and assembly of two arylsulfonamide <i>para</i>-alkoxychalcone hybrids","Acta Crystallographica Section C","2013","69","3","267","272","10.1107/S0108270113002291","","","0.71073","MoKα","","0.0701","0.0489","","","","0.1432","","","","","","1.046","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018844","8.0981","0.001","12.2931","0.0016","14.6297","0.0019","78.157","0.001","80.994","0.001","74.005","0.001","1362.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[aqua(μ~3~-4,4'-sulfonyldibenzoato)(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","","- C30 H26 Cd N2 O7 S -","- C30 H26 Cd N2 O7 S -","- C60 H52 Cd2 N4 O14 S2 -","2","1","WQ3024","Tao, Jian-Qing","A one-dimensional coordination polymer based on Cd~2~O~2~ clusters: poly[aqua(μ~3~-4,4'-sulfonyldibenzoato)(3,4,7,8-tetramethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]","Acta Crystallographica Section C","2013","69","3","244","246","10.1107/S0108270113001716","","","0.71073","MoKα","","0.0295","0.0258","","","0.0633","0.0648","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018845","8.8247","0.0012","12.0858","0.0017","10.9511","0.0015","90","","102.51","0.002","90","","1140.2","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-(2-Hydroxyethyl)acridin-9(10<i>H</i>)-one","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","WQ3028","He, Chang-Shuai; Liu, Lu-Fang; Guo, Lei; Wu, Jian-Zhong","Supramolecular networks of 10-(2-hydroxyethyl)acridin-9(10<i>H</i>)-one and 10-(2-chloroethyl)acridin-9(10<i>H</i>)-one","Acta Crystallographica Section C","2013","69","3","289","292","10.1107/S0108270113004204","","","0.71073","MoKα","","0.0802","0.0426","","","0.0914","0.1084","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018846","9.3632","0.0016","16.449","0.003","8.0359","0.0014","90","","92.151","0.002","90","","1236.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10-(2-Chloroethyl)acridin-9(10<i>H</i>)-one","","- C15 H12 Cl N O -","- C15 H12 Cl N O -","- C60 H48 Cl4 N4 O4 -","4","1","WQ3028","He, Chang-Shuai; Liu, Lu-Fang; Guo, Lei; Wu, Jian-Zhong","Supramolecular networks of 10-(2-hydroxyethyl)acridin-9(10<i>H</i>)-one and 10-(2-chloroethyl)acridin-9(10<i>H</i>)-one","Acta Crystallographica Section C","2013","69","3","289","292","10.1107/S0108270113004204","","","0.71073","MoKα","","0.0592","0.0463","","","0.1194","0.1293","","","","","","1.059","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018847","7.0387","0.0003","11.5605","0.001","18.1951","0.0017","90","","90","","90","","1480.6","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,4<i>S</i>)-2-(3-Methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]-azepine","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","YF3025","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions","Acta Crystallographica Section C","2013","69","3","307","312","10.1107/S0108270113004551","","","0.71073","MoKα","","0.1166","0.0372","","","0.0672","0.0834","","","","","","0.99","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018848","16.165","0.002","5.2505","0.0003","20.041","0.0019","90","","118.813","0.009","90","","1490.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>SR</i>)-2-(5-Methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxy-naphtho[1,2-<i>b</i>]azepine","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","YF3025","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions","Acta Crystallographica Section C","2013","69","3","307","312","10.1107/S0108270113004551","","","0.71073","MoKα","","0.1183","0.0572","","","0.1243","0.156","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018849","15.316","0.002","9.923","0.0018","20.225","0.003","90","","90","","90","","3073.8","0.8","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","(<i>2RS</i>,4<i>SR</i>)-2-(5-bromothiophen-2-yl)-2,3,4,5-tetrahydro-1,4-epoxynaphtho[1,2-<i>b</i>]azepine","","- C18 H14 Br N O S -","- C18 H14 Br N O S -","- C144 H112 Br8 N8 O8 S8 -","8","2","YF3025","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","Three closely related thienyl-substituted 1,4-epoxynaphtho[1,2-<i>b</i>]azepines: hydrogen-bonded assembly in one, two and three dimensions","Acta Crystallographica Section C","2013","69","3","307","312","10.1107/S0108270113004551","","","0.71073","MoKα","","0.0616","0.0376","","","0.0689","0.0763","","","","","","1.033","","","","has coordinates,has Fobs","208744","2020-10-21","18:00:00",""
"2018850","6.2335","0.0006","8.9651","0.0008","24.747","0.002","90","","90","","90","","1383","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3<i>Z</i>)-4-(5-Ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","YP3023","Akerman, Kate J.; Munro, Orde Q.","An X-ray crystallographic and density functional theory study of (3<i>Z</i>)-4-(5-ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one and (3<i>Z</i>)-4-(5-<i>tert</i>-butyl-2-hydroxyanilino)pent-3-en-2-one","Acta Crystallographica Section C","2013","69","3","258","262","10.1107/S0108270113002369","","","0.71073","MoKα","","0.0232","0.0229","","","0.0592","0.0598","","","","","","1.112","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018851","12.3617","0.0007","8.3063","0.0005","14.1054","0.0008","90","","104.114","0.002","90","","1404.62","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>Z</i>)-4-(5-<i>tert</i>-Butyl-2-hydroxyanilino)pent-3-en-2-one","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","YP3023","Akerman, Kate J.; Munro, Orde Q.","An X-ray crystallographic and density functional theory study of (3<i>Z</i>)-4-(5-ethylsulfonyl-2-hydroxyanilino)pent-3-en-2-one and (3<i>Z</i>)-4-(5-<i>tert</i>-butyl-2-hydroxyanilino)pent-3-en-2-one","Acta Crystallographica Section C","2013","69","3","258","262","10.1107/S0108270113002369","","","0.71073","MoKα","","0.0412","0.0379","","","0.0975","0.1001","","","","","","1.056","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018886","12.925","0.003","10.175","0.002","17.334","0.004","90","","104.804","0.004","90","","2204","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[chlorido(μ~3~-4-{2-[3-(pyridin-4-yl)phenyl]-1<i>H</i>-benzimidazol-1-ylmethyl}benzoato)zinc(II)]","","- C26 H18 Cl N3 O2 Zn -","- C26 H18 Cl N3 O2 Zn -","- C104 H72 Cl4 N12 O8 Zn4 -","4","1","BG3155","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and Zn<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2013","69","4","367","371","10.1107/S0108270113005982","","","0.71073","MoKα","","0.1468","0.0663","","","0.0779","0.0935","","","","","","0.873","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018887","13.046","0.004","10.276","0.003","17.437","0.005","90","","105.568","0.005","90","","2251.9","1.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[bromido(μ~3~-4-{2-[3-(pyridin-4-yl)phenyl]-1<i>H</i>-benzimidazol-1-ylmethyl}benzoato)zinc(II)]","","- C26 H18 Br N3 O2 Zn -","- C26 H18 Br N3 O2 Zn -","- C104 H72 Br4 N12 O8 Zn4 -","4","1","BG3155","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and Zn<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2013","69","4","367","371","10.1107/S0108270113005982","","","0.71073","MoKα","","0.0981","0.0446","","","0.0706","0.0808","","","","","","0.816","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018888","13.212","0.008","10.48","0.006","17.535","0.01","90","","107.148","0.009","90","","2320","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[iodido(μ~3~-4-{2-[3-(pyridin-4-yl)phenyl]-1<i>H</i>-benzimidazol-1-ylmethyl}benzoato)zinc(II)]","","- C26 H18 I N3 O2 Zn -","- C26 H18 I N3 O2 Zn -","- C104 H72 I4 N12 O8 Zn4 -","4","1","BG3155","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Three isomorphous two-dimensional coordination polymers generated from a benzimidazole bridging ligand and Zn<i>X</i>~2~ (<i>X</i> = Cl, Br and I)","Acta Crystallographica Section C","2013","69","4","367","371","10.1107/S0108270113005982","","","0.71073","MoKα","","0.0902","0.0492","","","0.1005","0.1124","","","","","","0.896","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018889","17.0178","0.0004","17.0178","0.0004","17.0178","0.0004","90","","90","","90","","4928.4","0.2","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium barium gallium tin","","- Ba15.1 Ga31 K0.9 Sn105 -","- Ba15.216 Ga30.96 K0.784 Sn105.04 -","- Ba15.216 Ga30.96 K0.784 Sn105.04 -","1","0.00520833","BI3054","Schäfer, Marion C.; Bobev, Svilen","K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3)","Acta Crystallographica Section C","2013","69","4","319","323","10.1107/S0108270113006203","","","0.71073","MoKα","","0.0285","0.0254","","","0.0961","0.0973","","","","","","1.349","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018890","17.0709","0.0006","17.0709","0.0006","17.0709","0.0006","90","","90","","90","","4974.7","0.3","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium barium gallium tin","","- Ba11.7 Ga27.4 K4.3 Sn108.6 -","- Ba11.632 Ga27.28 K4.368 Sn108.72 -","- Ba11.632 Ga27.28 K4.368 Sn108.72 -","1","0.00520833","BI3054","Schäfer, Marion C.; Bobev, Svilen","K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3)","Acta Crystallographica Section C","2013","69","4","319","323","10.1107/S0108270113006203","","","0.71073","MoKα","","0.0272","0.0256","","","0.0925","0.0934","","","","","","1.335","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018891","17.1946","0.0008","17.1946","0.0008","17.1946","0.0008","90","","90","","90","","5083.7","0.4","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Potassium barium gallum tin","","- Ba3.1 Ga19.5 K12.9 Sn116.5 -","- Ba3.136 Ga19.52 K12.864 Sn116.48 -","- Ba3.136 Ga19.52 K12.864 Sn116.48 -","1","0.00520833","BI3054","Schäfer, Marion C.; Bobev, Svilen","K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3)","Acta Crystallographica Section C","2013","69","4","319","323","10.1107/S0108270113006203","","","0.71073","MoKα","","0.0306","0.0285","","","0.1003","0.1014","","","","","","1.339","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018892","11.9447","0.0004","11.9447","0.0004","11.9447","0.0004","90","","90","","90","","1704.22","0.1","200","2","200","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Potassium barium gallium tin","","- Ba0.3 Ga8.5 K7.7 Sn37.5 -","- Ba0.28 Ga8.264 K7.72 Sn37.736 -","- Ba0.28 Ga8.264 K7.72 Sn37.736 -","1","0.0208333","BI3054","Schäfer, Marion C.; Bobev, Svilen","K and Ba distribution in the structures of the clathrate compounds K~<i>x~</i>Ba~16{-~<i>x</i>}(Ga,Sn)~136~ (<i>x</i> = 0.8, 4.4, and 12.9) and K~<i>x~</i>Ba~8{-~<i>x</i>}(Ga,Sn)~46~ (<i>x</i> = 0.3)","Acta Crystallographica Section C","2013","69","4","319","323","10.1107/S0108270113006203","","","0.71073","MoKα","","0.0243","0.0193","","","0.042","0.0438","","","","","","1.169","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018893","10.151","0.003","13.063","0.004","16.297","0.005","81.37","0.02","74.2","0.03","85.95","0.04","2054.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-2-ethoxyphenolato)-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^-bis[(2-ethoxyphenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(pyridine-κ<i>N</i>)zinc(II)] toluene hemisolvate","","- C45.5 H50 N2 O8 Zn2 -","- C45.5 H50 N2 O8 Zn2 -","- C91 H100 N4 O16 Zn4 -","2","1","BI3055","Petrus, Rafał; Sobota, Piotr","A dinuclear zinc complex containing a diamond-core geometry: [Zn~2~(μ~2~-GueO)~2~(GueO)~2~(py)~2~]·0.5(toluene) (GueOH is guethol)","Acta Crystallographica Section C","2013","69","4","372","375","10.1107/S0108270113006537","","","0.71073","MoKα","","0.0408","0.0295","","","0.0716","0.0741","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018894","10.1805","0.0002","14.5849","0.0004","10.3843","0.0002","90","","100.404","0.001","90","","1516.53","0.06","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-Phenoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride","","- C16 H21 Cl N2 O2 -","- C16 H21 Cl N2 O2 -","- C64 H84 Cl4 N8 O8 -","4","1","CU3025","Mesto, E.; Quaranta, E.","Hydrogen-bonded and π-interaction assembly in two 8-alkoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride salts","Acta Crystallographica Section C","2013","69","4","444","447","10.1107/S0108270113005970","","","0.71073","MoKα","","0.054","0.0371","","0.0599","0.0439","0.0419","","","","","","1.0459","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018895","6.6506","0.0004","15.5432","0.001","13.2041","0.001","90","","90.237","0.005","90","","1364.92","0.16","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-Methcarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride monohydrate","","- C11 H21 Cl N2 O3 -","- C11 H21 Cl N2 O3 -","- C44 H84 Cl4 N8 O12 -","4","1","CU3025","Mesto, E.; Quaranta, E.","Hydrogen-bonded and π-interaction assembly in two 8-alkoxycarbonyl-1,8-diazabicyclo[5.4.0]undec-7-enium chloride salts","Acta Crystallographica Section C","2013","69","4","444","447","10.1107/S0108270113005970","","","0.71073","MoKα","","0.0622","0.0452","","0.0766","0.0499","0.0467","","","","","","1.017","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018896","11.2397","0.0008","16.7124","0.0013","8.6528","0.0006","90","","96.15","0.001","90","","1616","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Frovatriptan acetate","(±)-6-Carbamoyl-<i>N</i>-methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-3-aminium acetate","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","CU3026","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal","Frovatriptan salts of aliphatic carboxylic acids","Acta Crystallographica Section C","2013","69","4","428","435","10.1107/S0108270113005878","","","0.71073","MoKα","","0.069","0.0495","","","0.1101","0.1203","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018897","10.6206","0.0006","7.9939","0.0005","22.3916","0.0013","90","","92.884","0.001","90","","1898.64","0.19","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Frovatriptan succinate monohydrate","(<i>R</i>)-(+)-6-Carbamoyl-<i>N</i>-methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-3-aminium 3-carboxypropanoate monohydrate","","- C18 H25 N3 O6 -","- C18 H25 N3 O6 -","- C72 H100 N12 O24 -","4","2","CU3026","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal","Frovatriptan salts of aliphatic carboxylic acids","Acta Crystallographica Section C","2013","69","4","428","435","10.1107/S0108270113005878","","","0.71073","MoKα","","0.0745","0.0659","","","0.1524","0.1573","","","","","","1.141","","","","has coordinates","201957","2020-10-21","18:00:00",""
"2018898","8.7239","0.0011","18.662","0.002","10.127","0.0013","90","","96.098","0.002","90","","1639.4","0.3","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bis(frovatriptan) succinate trihydrate","Bis[(<i>R</i>)-(+)-6-carbamoyl-<i>N</i>-methyl-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-3-aminium] succinate trihydrate","","- C32 H46 N6 O9 -","- C32 H46 N6 O9 -","- C64 H92 N12 O18 -","2","1","CU3026","Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Hariharakrishnan, Venkatasubramanian; Rao, Bandi Venugopal","Frovatriptan salts of aliphatic carboxylic acids","Acta Crystallographica Section C","2013","69","4","428","435","10.1107/S0108270113005878","","","0.71073","MoKα","","0.0441","0.041","","","0.0996","0.1018","","","","","","1.061","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018899","10.029","0.007","15.242","0.005","17.922","0.005","90","","93.5","0.05","90","","2734","2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tricarbonyl[9-(triphenylphosphonio)fluorenylidene]ruthenium","","- C34 H21 O3 P Ru -","- C34 H21 O3 P Ru -","- C136 H84 O12 P4 Ru4 -","4","1","DT3019","Arce, Alejandro; De Sanctis, Ysaura; Galarza, Esperanza; Garland, María Teresa; Baggio, Ricardo","Two complexes derived from the reaction of <i>M</i>~3~(CO)~12~ clusters (<i>M</i> = Ru, Os) with the 9-(triphenylphosphonio)fluorenide ylide: tricarbonyl[9-(triphenylphosphonio)fluorenylidene]ruthenium and nonacarbonyl-μ~3~-fluorenylidene-μ~2~-hydrido-<i>triangulo</i>-triosmium(III)","Acta Crystallographica Section C","2013","69","4","363","366","10.1107/S0108270113005489","","","0.71073","MoKα","","0.1144","0.0647","","","0.0709","0.0807","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018900","9.3325","0.0013","13.96","0.002","17.865","0.003","90","","103.771","0.013","90","","2260.6","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Nonacarbonyl-μ~3~-fluorenylidene-μ~2~-hydrido-<i>triangulo</i>-triosmium(III)","","- C22 H8 O9 Os3 -","- C22 H8 O9 Os3 -","- C88 H32 O36 Os12 -","4","1","DT3019","Arce, Alejandro; De Sanctis, Ysaura; Galarza, Esperanza; Garland, María Teresa; Baggio, Ricardo","Two complexes derived from the reaction of <i>M</i>~3~(CO)~12~ clusters (<i>M</i> = Ru, Os) with the 9-(triphenylphosphonio)fluorenide ylide: tricarbonyl[9-(triphenylphosphonio)fluorenylidene]ruthenium and nonacarbonyl-μ~3~-fluorenylidene-μ~2~-hydrido-<i>triangulo</i>-triosmium(III)","Acta Crystallographica Section C","2013","69","4","363","366","10.1107/S0108270113005489","","","0.71073","MoKα","","0.0765","0.0437","","","0.0802","0.0903","","","","","","1.037","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018901","11.357","0.003","12.588","0.003","19.254","0.005","84.268","0.012","77.257","0.012","66.283","0.01","2457.9","1.1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","Poly[[decaaquabis[μ~3~-2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]bis[μ~2~-2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]tetracopper(II)dineodymium(III)] bis{[2-({2-[(5-bromo-2-oxidobenzylidene)amino]acetyl}azanidyl)acetato]cuprate(II)} tetradecahydrate]","","- C33 H48 Br3 Cu3 N6 Nd O24 -","- C33 H48 Br3 Cu3 N6 Nd O24 -","- C66 H96 Br6 Cu6 N12 Nd2 O48 -","2","1","EG3114","Xu, Li-Qing; Lu, Li-Ping; Zhu, Miao-Li","Analogy to a Chinese knot in an ion-pair copper(II)‒neodymium(III) complex based on a hexadentate Schiff base condensation product of 5-bromosalicylaldehyde and glycylglycine","Acta Crystallographica Section C","2013","69","4","376","379","10.1107/S0108270113006367","","","0.71073","MoKα","","0.1019","0.0606","","","0.1368","0.1585","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018902","9.1323","0.0002","8.9812","0.0002","27.1824","0.0006","90","","90","","90","","2229.47","0.09","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(±)-amphetamine gold(III) dichloride","[<i>D</i>,<i>L</i>-2-(2-Aminopropyl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]dichloridogold(III)","","- C9 H12 Au Cl2 N -","- C9 H12 Au Cl2 N -","- C72 H96 Au8 Cl16 N8 -","8","1","FA3298","Wood, Matthew R.; Lalancette, Roger A.","Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine","Acta Crystallographica Section C","2013","69","4","388","393","10.1107/S0108270113006379","","","1.54178","CuKα","","0.042","0.042","","","0.102","0.102","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018903","7.3561","0.0001","14.2394","0.0002","13.9103","0.0002","90","","90.077","0.001","90","","1457.05","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","(+)-methamphetamine tetrachloaurate(III)","<i>D</i>-Methyl(1-phenylpropan-2-yl)azanium tetrachloridoaurate(III)","","- C10 H16 Au Cl4 N -","- C10 H16 Au Cl4 N -","- C40 H64 Au4 Cl16 N4 -","4","2","FA3298","Wood, Matthew R.; Lalancette, Roger A.","Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine","Acta Crystallographica Section C","2013","69","4","388","393","10.1107/S0108270113006379","","","1.54178","CuKα","","0.029","0.029","","","0.071","0.071","","","","","","1.15","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018904","7.7537","0.0004","25.0264","0.0013","15.4587","0.0008","90","","93.92","0.002","90","","2992.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(±)-ephedrine tetrachloaurate(III)","<i>D</i>,<i>L</i>-(1-Hydroxy-1-phenylpropan-2-yl)(methyl)azanium tetrachloridoaurate(III)","","- C10 H16 Au Cl4 N O -","- C10 H16 Au Cl4 N O -","- C80 H128 Au8 Cl32 N8 O8 -","8","2","FA3298","Wood, Matthew R.; Lalancette, Roger A.","Understanding the microcrystal tests of three related phenethylamines: the <i>ortho</i>-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine","Acta Crystallographica Section C","2013","69","4","388","393","10.1107/S0108270113006379","","","1.54178","CuKα","","0.046","0.04","","","0.091","0.094","","","","","","1.12","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018905","16.2247","0.0019","16.2247","0.0019","7.6586","0.0008","90","","90","","90","","2016.1","0.4","91","2","91","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","5-Bromo-6-hydroxy-7,8-dimethylchroman-2-one","","- C11 H11 Br O3 -","- C11 H11 Br O3 -","- C88 H88 Br8 O24 -","8","1","FA3310","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Similarities and differences in the structures of 5-bromo-6-hydroxy-7,8-dimethylchroman-2-one and 6-hydroxy-7,8-dimethyl-5-nitrochroman-2-one","Acta Crystallographica Section C","2013","69","4","407","411","10.1107/S0108270113005325","","","0.71073","MoKα","","0.0363","0.0323","","","0.0754","0.0776","","","","","","1.104","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018906","5.0922","0.0012","7.3347","0.0015","13.942","0.003","97.657","0.012","100.072","0.011","90.862","0.012","507.74","0.19","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","6-Hydroxy-7,8-dimethyl-5-nitrochroman-2-one","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","FA3310","Goswami, Shailesh K.; Hanton, Lyall R.; McAdam, C. John; Moratti, Stephen C.; Simpson, Jim","Similarities and differences in the structures of 5-bromo-6-hydroxy-7,8-dimethylchroman-2-one and 6-hydroxy-7,8-dimethyl-5-nitrochroman-2-one","Acta Crystallographica Section C","2013","69","4","407","411","10.1107/S0108270113005325","","","0.71073","MoKα","","0.1133","0.0755","","","0.1748","0.2044","","","","","","0.961","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018907","6.7283","0.0013","6.7839","0.0014","17.332","0.004","88.181","0.013","89.349","0.014","62.515","0.012","701.5","0.3","5","2","5","2","","","","","","","","4","P -1","-P 1","2","magnesium sulfate undecahydrate","Hexaaquamagnesium(II) sulfate pentahydrate","","- H22 Mg O15 S -","- H22 Mg O15 S -","- H44 Mg2 O30 S2 -","2","1","KU3086","Fortes, A. Dominic; Wood, Ian G.; Gutmann, Matthias J.","MgSO~4~·11H~2~O and MgCrO~4~·11H~2~O based on time-of-flight neutron single-crystal Laue data","Acta Crystallographica Section C","2013","69","4","324","329","10.1107/S0108270113005751","","neutron","","neutron","","0.0668","0.0668","","","0.1868","0.1868","","","","","","1.108","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018908","6.7721","0.0018","6.917","0.002","17.41","0.005","88.21","0.02","89.43","0.02","62.768","0.018","724.8","0.4","10","2","10","2","","","","","","","","4","P -1","-P 1","2","magnesium chromate undecahydrate","Hexaaquamagnesium(II) chromate pentahydrate","","- Cr H22 Mg O15 -","- Cr H22 Mg O15 -","- Cr2 H44 Mg2 O30 -","2","1","KU3086","Fortes, A. Dominic; Wood, Ian G.; Gutmann, Matthias J.","MgSO~4~·11H~2~O and MgCrO~4~·11H~2~O based on time-of-flight neutron single-crystal Laue data","Acta Crystallographica Section C","2013","69","4","324","329","10.1107/S0108270113005751","","neutron","","neutron","","0.083","0.083","","","0.2236","0.2236","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018909","9.5819","0.0002","6.78424","0.00014","11.7152","0.0003","90","","90","","90","","761.56","0.03","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Betaine 0.77-perhydrate 0.23-hydrate","2-(Trimethylazaniumyl)acetate 0.77-perhydrate 0.23-hydrate","","- C5 H13 N O3.77 -","- C5 H13 N O3.767 -","- C20 H52 N4 O15.068 -","4","1","KU3089","Minkov, Vasily S.; Kapustin, Evgeny A.; Boldyreva, Elena V.","Betaine 0.77-perhydrate 0.23-hydrate and common structural motifs in crystals of amino acid perhydrates","Acta Crystallographica Section C","2013","69","4","416","420","10.1107/S0108270113005386","","","0.71073","MoKα","","0.0404","0.0338","","","0.0766","0.0808","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018910","9.4916","0.00015","6.7062","0.00011","11.5975","0.0002","90","","90","","90","","738.21","0.02","100","2","100","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","Betaine 0.76-perhydrate 0.24-hydrate","2-(Trimethylazaniumyl)acetate 0.77-perhydrate 0.23-hydrate","","- C5 H13 N O3.76 -","- C5 H13 N O3.762 -","- C20 H52 N4 O15.048 -","4","1","KU3089","Minkov, Vasily S.; Kapustin, Evgeny A.; Boldyreva, Elena V.","Betaine 0.77-perhydrate 0.23-hydrate and common structural motifs in crystals of amino acid perhydrates","Acta Crystallographica Section C","2013","69","4","416","420","10.1107/S0108270113005386","","","0.71073","MoKα","","0.0258","0.0253","","","0.0648","0.0651","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018911","12.0729","0.001","29.176","0.002","11.8511","0.0009","90","","94.417","0.001","90","","4162","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","di-3phenylpropylamino-gossypol","2,2'-Bis{1,6-dihydroxy-5-isopropyl-8-[(3-phenylpropylamino)methylidene]naphthalen-7-one}","","- C48 H52 N2 O6 -","- C48 H52 N2 O6 -","- C192 H208 N8 O24 -","4","1","KU3090","Zelaya, Carlos A.; Stevens, Edwin D.; Dowd, Michael K.","Di(phenylpropylamino)gossypol: a derivative of the dimeric natural product gossypol","Acta Crystallographica Section C","2013","69","4","439","443","10.1107/S0108270113006288","","","0.71073","MoKα","","0.0829","0.0535","","","0.152","0.1672","","","","","","1.123","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018912","11.9559","0.0009","29.079","0.002","11.6918","0.0009","90","","94.207","0.001","90","","4053.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","di-3phenylpropylamino-gossypol","2,2'-Bis{1,6-dihydroxy-5-isopropyl-8-[(3-phenylpropylamino)methylidene]naphthalen-7-one}","","- C48 H52 N2 O6 -","- C48 H52 N2 O6 -","- C192 H208 N8 O24 -","4","1","KU3090","Zelaya, Carlos A.; Stevens, Edwin D.; Dowd, Michael K.","Di(phenylpropylamino)gossypol: a derivative of the dimeric natural product gossypol","Acta Crystallographica Section C","2013","69","4","439","443","10.1107/S0108270113006288","","","0.71073","MoKα","","0.0535","0.0453","","","0.1214","0.1266","","","","","","1.054","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018913","7.5555","0.0001","21.9603","0.0005","9.8497","0.0002","90","","105.259","0.0009","90","","1576.66","0.05","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-poly[[copper(II)-bis[μ-3-carboxy-5-[(imidazol-1-yl)methyl]benzoato]] dimethylformamide disolvate]","","- C30 H32 Cu N6 O10 -","- C30 H32 Cu N6 O10 -","- C60 H64 Cu2 N12 O20 -","2","0.5","KU3092","Patra, Ranjan; Goldberg, Israel","A one-dimensional coordination polymer of 5-[(imidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid with Cu^II^ cations","Acta Crystallographica Section C","2013","69","4","344","347","10.1107/S0108270113005313","","","0.71073","MoKα","","0.082","0.0534","","","0.1386","0.1552","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018914","7.7557","0.0002","21.9826","0.0004","9.816","0.0003","90","","102.92","0.0009","90","","1631.17","0.07","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-poly[[copper(II)-bis[μ-3-carboxy-5-[(imidazol-1-yl)methyl]benzoato]] dimethylacetamide disolvate]","","- C32 H36 Cu N6 O10 -","- C32 H36 Cu N6 O10 -","- C64 H72 Cu2 N12 O20 -","2","0.5","KU3092","Patra, Ranjan; Goldberg, Israel","A one-dimensional coordination polymer of 5-[(imidazol-1-yl)methyl]benzene-1,3-dicarboxylic acid with Cu^II^ cations","Acta Crystallographica Section C","2013","69","4","344","347","10.1107/S0108270113005313","","","0.71073","MoKα","","0.0786","0.0485","","","0.1161","0.1294","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018915","15.3648","0.0004","7.3374","0.0002","26.7111","0.0006","90","","93.919","0.001","90","","3004.31","0.13","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(4,6-Dimethyl-2-sulfanylidenepyrimidin-1-ium) trichlorido(thiourea-κ<i>S</i>)zinc(II)","","- C7 H13 Cl3 N4 S2 Zn -","- C7 H13 Cl3 N4 S2 Zn -","- C56 H104 Cl24 N32 S16 Zn8 -","8","1","KY3022","Fu, Wei-Wei; Chen, Man-Sheng; Liu, Yang; Zhang, Fu-Xing","(4,6-Dimethyl-2-sulfanylidenepyrimidin-1-ium) trichlorido(thiourea-κ<i>S</i>)zinc(II)","Acta Crystallographica Section C","2013","69","4","384","387","10.1107/S0108270113006380","","","0.71073","MoKα","","0.0161","0.0153","","","0.0396","0.0401","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018916","24.234","0.006","51.149","0.012","6.952","0.002","90","","90","","90","","8617","4","150","2","150","2","","","","","","","","3","F d d 2","F 2 -2d","43","","5,5-Dimethyl-2,8-diphenyl-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]silepine","","- C28 H24 Si -","- C28 H24 Si -","- C448 H384 Si16 -","16","1","KY3030","Clegg, William; Harrington, Ross W.; Mercier, Lauren G.; Piers, Warren E.","5,5-Dimethyl-2,8-diphenyl-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]silepine: a synchrotron study","Acta Crystallographica Section C","2013","69","4","436","438","10.1107/S0108270113005659","","","0.6889","synchrotron","","0.0344","0.0304","","","0.0723","0.0736","","","","","","1.048","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018917","10.0371","0.0003","9.0733","0.0003","11.4901","0.0004","90","","102.12","0.003","90","","1023.07","0.06","190","","190","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-amminedibromido(2-methylpyridine-κ<i>N</i>)platinum(II)","","- C6 H10 Br2 N2 Pt -","- C6 H10 Br2 N2 Pt -","- C24 H40 Br8 N8 Pt4 -","4","1","LN3155","Pažout, Richard; Maixner, Jaroslav; Hrdá, Michaela; Loužilová, Tereza; Kačer, Petr","A bromine analogue of picoplatin: a new substance from the group of platinum-based chemotherapeutics","Acta Crystallographica Section C","2013","69","4","337","339","10.1107/S0108270113004708","","","1.5418","CuKα","","0.0366","0.0303","","","0.0347","0.0357","","","","","","1.69","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018918","7.4946","0.0002","7.4946","0.0002","7.5457","0.0002","90","","90","","90","","423.83","0.02","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","Lithium/ammonium perchlorate","","- Cl H2.35 Li0.41 N0.59 O4 -","- Cl H2.36 Li0.41 N0.59 O4 -","- Cl4 H9.44 Li1.64 N2.36 O16 -","4","0.25","OV3020","Walha, Siwar; Bouchaala, Mahmoud; Ben Salah, Abdelhamid","The interpenetrated three-dimensional framework of a new mixed lithium/ammonium perchlorate grown in a gel medium","Acta Crystallographica Section C","2013","69","4","315","318","10.1107/S0108270113005684","","","0.71073","MoKα","","0.0378","0.0349","","","0.1343","0.1391","","","","","","1.327","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018919","12.0692","0.0015","12.7108","0.0017","12.882","0.002","90","","90","","90","","1976.2","0.5","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diiron(III) trisulfate‒sulfuric acid‒water (1/1/28)","","- Fe H29 O22 S2 -","- Fe H29 O22 S2 -","- Fe4 H116 O88 S8 -","4","0.5","OV3022","Schmidt, Horst; Hennings, Erik; Zürner, Philipp; Voigt, Wolfgang","Fe~2~(SO~4~)~3~·H~2~SO~4~·28H~2~O, a low-temperature water-rich iron(III) sulfate","Acta Crystallographica Section C","2013","69","4","330","333","10.1107/S0108270113005969","","","0.71073","MoKα","","0.0421","0.0375","","","0.1061","0.1086","","","","","","1.097","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018920","12.0802","0.0019","12.763","0.0019","12.832","0.002","90","","90","","90","","1978.4","0.5","200","","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Diiron(III) trisulfate‒sulfuric acid‒water (1/1/28)","","- Fe H29 O22 S2 -","- Fe H29 O22 S2 -","- Fe4 H116 O88 S8 -","4","0.5","OV3022","Schmidt, Horst; Hennings, Erik; Zürner, Philipp; Voigt, Wolfgang","Fe~2~(SO~4~)~3~·H~2~SO~4~·28H~2~O, a low-temperature water-rich iron(III) sulfate","Acta Crystallographica Section C","2013","69","4","330","333","10.1107/S0108270113005969","","","0.71073","MoKα","","0.0469","0.0348","","","0.0831","0.0875","","","","","","1.014","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018921","7.557","0.0016","12.223","0.003","12.681","0.003","111.615","0.003","92.294","0.004","101.13","0.004","1060.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)] methanol disolvate","","- C42 H40 Cl2 Cu2 N6 O8 -","- C42 H40 Cl2 Cu2 N6 O8 -","- C42 H40 Cl2 Cu2 N6 O8 -","1","0.5","OV3024","Zhao, Ning","Bis[μ-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)] methanol disolvate","Acta Crystallographica Section C","2013","69","4","348","350","10.1107/S0108270113005118","","","0.71073","MoKα","","0.0381","0.0317","","","0.1015","0.1141","","","","","","1.061","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018922","15.6553","0.0002","9.0565","0.0001","8.5568","0.0001","90","","90.017","0.001","90","","1213.2","0.02","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Potassium aluminium silicate","","- Al K O4 Si -","- Al K0.958167 O4 Si -","- Al12 K11.498 O48 Si12 -","12","6","QS3022","Kremenović, Aleksandar; Lazic, Biljana; Krüger, Hannes; Tribus, Martina; Vulić, Predrag","Monoclinic structure and nonstoichiometry of `KAlSiO~4~-<i>O1</i>'","Acta Crystallographica Section C","2013","69","4","334","336","10.1107/S0108270113006069","","","0.71073","MoKα","","0.0435","0.0398","","","0.0543","0.0552","","","","","","1.44","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018923","14.8473","0.0005","7.7578","0.0003","21.8602","0.0007","90","","96.954","0.001","90","","2499.39","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>,<i>E</i>)-3,5-Bis[4-(diethylamino)benzylidene]-4-piperidone methanol monosolvate","","- C28 H39 N3 O2 -","- C28 H39 N3 O2 -","- C112 H156 N12 O8 -","4","1","QS3023","Sandhu, Bhupinder; Draguta, Sergiu; Kinnibrugh, Tiffany L.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","Supramolecular synthesis based on piperidone derivatives and pharmaceutically acceptable co-formers","Acta Crystallographica Section C","2013","69","4","421","427","10.1107/S0108270113006185","","","0.71073","MoKα","","0.053","0.0416","","","0.1029","0.1084","","","","","","1.002","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018924","11.1075","0.0015","12.965","0.0018","17.899","0.003","96.32","0.003","92.211","0.003","95.861","0.003","2545.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis{(<i>E</i>,<i>E</i>)-3,5-bis[4-(diethylamino)benzylidene]-4-oxopiperidinium} butanedioate","","- C58 H76 N6 O6 -","- C58.002 H76 N6 O6 -","- C116.004 H152 N12 O12 -","2","1","QS3023","Sandhu, Bhupinder; Draguta, Sergiu; Kinnibrugh, Tiffany L.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","Supramolecular synthesis based on piperidone derivatives and pharmaceutically acceptable co-formers","Acta Crystallographica Section C","2013","69","4","421","427","10.1107/S0108270113006185","","","0.71073","MoKα","","0.1005","0.0666","","","0.1681","0.1846","","","","","","1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018925","8.2905","0.0008","12.7532","0.0013","14.0762","0.0014","87.076","0.002","77.516","0.002","78.66","0.002","1424.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Bis{(<i>E</i>,<i>E</i>)-3,5-bis[4-(diethylamino)benzylidene]-4-oxopiperidinium} decanedioate","","- C64 H88 N6 O6 -","- C64 H88 N6 O6 -","- C64 H88 N6 O6 -","1","0.5","QS3023","Sandhu, Bhupinder; Draguta, Sergiu; Kinnibrugh, Tiffany L.; Khrustalev, Victor N.; Timofeeva, Tatiana V.","Supramolecular synthesis based on piperidone derivatives and pharmaceutically acceptable co-formers","Acta Crystallographica Section C","2013","69","4","421","427","10.1107/S0108270113006185","","","0.71073","MoKα","","0.07","0.0461","","","0.1089","0.1178","","","","","","1.002","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018926","15.373","0.003","15.373","0.003","13.287","0.002","90","","90","","90","","3140.1","1","298","2","298","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Tetrakis[μ~3~-(pyridin-2-yl)methanolato]-<i>tetrahedro</i>-tetrakis[chloridolead(II)]","","- C24 H24 Cl4 N4 O4 Pb4 -","- C24 H24 Cl4 N4 O4 Pb4 -","- C96 H96 Cl16 N16 O16 Pb16 -","4","0.25","QS3024","Liu, Ting; Pan, Yu-Peng; Wang, Suna; Dou, Jian-Min","Two novel lead(II) complexes of 2-(hydroxymethyl)pyridine: a threefold diamondoid supramolecular network based on Pb~4~O~4~ cores and a two-dimensional (4,4) network based on Pb~2~O~2~ units","Acta Crystallographica Section C","2013","69","4","394","399","10.1107/S0108270113006987","","","0.71073","MoKα","","0.0375","0.026","","","0.0572","0.0609","","","","","","1.14","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018927","10.0543","0.0015","10.3292","0.0016","8.3716","0.0009","90","","91.388","0.002","90","","869.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~2~-nitrato)[μ~2~-(pyridin-2-yl)methanolato]lead(II)]","","- C6 H6 N2 O4 Pb -","- C6 H6 N2 O4 Pb -","- C24 H24 N8 O16 Pb4 -","4","1","QS3024","Liu, Ting; Pan, Yu-Peng; Wang, Suna; Dou, Jian-Min","Two novel lead(II) complexes of 2-(hydroxymethyl)pyridine: a threefold diamondoid supramolecular network based on Pb~4~O~4~ cores and a two-dimensional (4,4) network based on Pb~2~O~2~ units","Acta Crystallographica Section C","2013","69","4","394","399","10.1107/S0108270113006987","","","0.71073","MoKα","","0.0463","0.0366","","","0.0856","0.09","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2018928","4.7783","0.0001","10.7727","0.0002","22.9128","0.0005","90","","90","","90","","1179.44","0.04","298","2","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1<i>H</i>-Imidazol-3-ium 1,4-dioxo-1,4-dihydronaphthalen-2-olate","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","SF3193","Ribeiro, Marcos Antônio; Oliveira, Willian Xerxes Coelho; Stumpf, Humberto Osório; Pinheiro, Carlos Basílio","The structure of the 1<i>H</i>-imidazol-3-ium lawsonate salt aided by <i>ab initio</i> gas-phase calculations","Acta Crystallographica Section C","2013","69","4","403","406","10.1107/S0108270113005106","","","1.5418","CuKα","","0.0371","0.0347","","","0.085","0.0879","","","","","","1.051","","","","has coordinates,has Fobs","201957","2020-10-21","18:00:00",""
"2018929","12.8286","0.0017","13.065","0.0019","13.8347","0.0019","90","","102.683","0.003","90","","2262.2","0.5","184.5","0.2","184.5","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-5-hydroxyisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] 1,2-bis(pyridin-4-yl)ethene hemisolvate]","","- C26 H19 N3 O5 Zn -","- C26 H19 N3 O5 Zn -","- C104 H76 N12 O20 Zn4 -","4","1","SK3465","Wang, Guan-Hua; Lei, Yong-Qian","A fourfold interpenetrating diamondoid three-dimensional coordination polymer: poly[[[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'](μ~2~-5-hydroxyisophthalato-κ^2^<i>O</i>^1^:<i>O</i>^3^)zinc(II)] 1,2-bis(pyridin-4-yl)ethene hemisolvate]","Acta Crystallographica Section C","2013","69","4","360","362","10.1107/S0108270113005143","","","0.71073","MoKα","","0.1575","0.0849","","","0.1369","0.1618","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018930","9.6402","0.0007","9.9899","0.0007","10.7775","0.0007","78.834","0.001","82.856","0.001","89.704","0.001","1010.18","0.12","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","<i>mer</i>-μ-Oxalato-bis[chloridotripyridinecobalt(II)] pyridine disolvate","","- C42 H40 Cl2 Co2 N8 O4 -","- C42 H40 Cl2 Co2 N8 O4 -","- C42 H40 Cl2 Co2 N8 O4 -","1","0.5","SK3477","Modec, Barbara","Polymorphism of <i>mer</i>-μ-oxalato-bis[chloridotripyridinecobalt(II)] pyridine disolvate","Acta Crystallographica Section C","2013","69","4","340","343","10.1107/S010827011300499X","","","0.71073","MoKα","","0.0601","0.0377","","","0.0774","0.0844","","","","","","0.968","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018931","11.8007","0.0003","11.7095","0.0003","13.6967","0.0003","90","","113.53","0.012","90","","1735.25","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetraaqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) sulfate monohydrate","","- C12 H22 N2 Ni O9 S -","- C12 H22 N2 Ni O9 S -","- C48 H88 N8 Ni4 O36 S4 -","4","1","SK3478","Suarez, Sebastián; Doctorovich, Fabio; Harvey, Miguel Angel; Baggio, Ricardo","Tetraaqua(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')nickel(II) sulfate monohydrate: a simple molecule with an extremely complex hydrogen-bonding scheme","Acta Crystallographica Section C","2013","69","4","351","355","10.1107/S0108270113005088","","","0.71073","MoKα","","0.0281","0.0268","","","0.0738","0.075","","","","","","1.067","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018932","10.0323","0.0004","10.3715","0.0005","11.7411","0.0005","109.211","0.002","96.105","0.002","95.676","0.002","1135.37","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","[3-Methyl-4-(4-methylphenyl)-1-phenyl-6-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl](thiophen-2-yl)methanone","","- C26 H18 F3 N3 O S -","- C26 H18 F3 N3 O S -","- C52 H36 F6 N6 O2 S2 -","2","1","TP3020","Rajni Swamy, V.; Müller, P.; Srinivasan, N.; Perumal, S.; Krishnakumar, R. V.","Isomorphous methyl- and chloro-substituted small heterocyclic analogues obeying the chlorine‒methyl (Cl‒Me) exchange rule","Acta Crystallographica Section C","2013","69","4","412","415","10.1107/S0108270113004812","","","0.71073","MoKα","","0.0683","0.0447","","","0.1104","0.1264","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018933","10.0018","0.0007","10.3503","0.0008","11.6309","0.001","108.607","0.004","95.295","0.004","95.628","0.004","1125.82","0.16","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","[4-(4-Chlorophenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1<i>H</i>-pyrazolo[3,4-<i>b</i>]pyridin-5-yl](thiophen-2-yl)methanone","","- C25 H15 Cl F3 N3 O S -","- C25 H15 Cl F3 N3 O S -","- C50 H30 Cl2 F6 N6 O2 S2 -","2","1","TP3020","Rajni Swamy, V.; Müller, P.; Srinivasan, N.; Perumal, S.; Krishnakumar, R. V.","Isomorphous methyl- and chloro-substituted small heterocyclic analogues obeying the chlorine‒methyl (Cl‒Me) exchange rule","Acta Crystallographica Section C","2013","69","4","412","415","10.1107/S0108270113004812","","","0.71073","MoKα","","0.0571","0.037","","","0.0868","0.0973","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018934","6.5975","0.0006","13.0254","0.001","13.3531","0.001","103.739","0.002","98.123","0.003","99.217","0.002","1080.86","0.15","296","","296","","","","","","","","","6","P -1","-P 1","2","Bis(ethylenedithio)tetrathiafulvalene‒2,3-dichloro-5,6-dicyano-<i>p</i>-benzoquinone (1/1)","Bi[5,6-dihydro-1,3-dithiolo[4,5-b][1,4]-dithiine-2-ylidene]‒2,3-dichloro-5,6-dicyano-<i>p</i>-benzoquinone (1/1)","","- C18 H8 Cl2 N2 O2 S8 -","- C18 H8 Cl2 N2 O2 S8 -","- C36 H16 Cl4 N4 O4 S16 -","2","1","UK3064","Nakagawa, Yuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","The bis(ethylenedithio)tetrathiafulvalene-based ionic charge-transfer complex with 2,3-dichloro-5,6-dicyano-<i>p</i>-benzoquinone","Acta Crystallographica Section C","2013","69","4","400","402","10.1107/S0108270113003685","","","0.71075","MoKα","","0.1005","0.0712","","","0.1706","0.1875","","","","","","1.158","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018935","9.739","0.003","21.26","0.007","9.952","0.003","90","","103.851","0.003","90","","2000.7","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[silver(I)-μ-{2-[2-(pyridin-4-yl)-1<i>H</i>-benzimidazol-1-ylmethyl]phenol-κ^2^<i>N</i>^2^:<i>N</i>^3^}] perchlorate monohydrate]","","- C19 H17 Ag Cl N3 O6 -","- C19 H17 Ag Cl N3 O6 -","- C76 H68 Ag4 Cl4 N12 O24 -","4","1","WQ3027","Hu, Dong-Cheng; Xiao, Chao-Hu; Guo, Guo-Zhe; Yang, Yun-Xia; Liu, Jia-Cheng","A one-dimensional silver(I) coordination polymer based on the 2-[2-(pyridin-4-yl)-1<i>H</i>-benzimidazol-1-ylmethyl]phenol ligand exhibiting photoluminescence","Acta Crystallographica Section C","2013","69","4","356","359","10.1107/S0108270113005817","","","0.71073","MoKα","","0.0512","0.0383","","","0.0902","0.0983","","","","","","1.119","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018936","8.438","0.002","24.957","0.005","16.221","0.004","90","","93.914","0.016","90","","3408","1.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>RS</i>,4<i>SR</i>)-7-Bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","","- C21 H20 Br N O -","- C21 H20 Br N O -","- C168 H160 Br8 N8 O8 -","8","2","YF3028","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded tetramer in (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol and a three-dimensional hydrogen-bonded framework in (2<i>RS</i>,4<i>SR</i>)-2-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","Acta Crystallographica Section C","2013","69","4","448","452","10.1107/S0108270113006458","","","0.71073","MoKα","","0.0662","0.0401","","","0.0678","0.0748","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018937","25.431","0.005","16.318","0.003","8.0193","0.0006","90","","104.021","0.01","90","","3228.7","0.9","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2<i>RS</i>,4<i>SR</i>)-2-(3-Methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","","- C19 H19 N O S -","- C19 H19 N O S -","- C152 H152 N8 O8 S8 -","8","2","YF3028","Yépes, Andrés F.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A hydrogen-bonded tetramer in (2<i>RS</i>,4<i>SR</i>)-7-bromo-2-(2-methylphenyl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol and a three-dimensional hydrogen-bonded framework in (2<i>RS</i>,4<i>SR</i>)-2-(3-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>b</i>]azepin-4-ol","Acta Crystallographica Section C","2013","69","4","448","452","10.1107/S0108270113006458","","","0.71073","MoKα","","0.0623","0.048","","","0.0937","0.0994","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018938","10.039","0.002","14.652","0.003","13.976","0.004","90","","129.823","0.018","90","","1578.9","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[1,4-dihydroxy-1,4-diazoniabicyclo[2.2.2]octane [aquatri-μ-chlorido-trichloridodicuprate(II)]]","","- C12 H32 Cl12 Cu4 N4 O6 -","- C12 H32 Cl12 Cu4 N4 O6 -","- C24 H64 Cl24 Cu8 N8 O12 -","2","0.5","YP3024","Liao, Wei-Qiang; Zhou, Qin-Qin; Zhang, Yi","<i>catena</i>-Poly[1,4-dihydroxy-1,4-diazoniabicyclo[2.2.2]octane [aquatri-μ-chlorido-trichloridodicuprate(II)]]","Acta Crystallographica Section C","2013","69","4","380","383","10.1107/S0108270113006719","","","0.71073","MoKα","","0.0539","0.0388","","","0.0783","0.0831","","","","","","1.078","","","","has coordinates,has Fobs","249787","2020-10-21","18:00:00",""
"2018939","19.0469","0.0011","8.7313","0.0004","23.608","0.0015","90","","100.45","0.006","90","","3861","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaqua(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)bis[2-(diphenylphosphoryl)benzoato-κ<i>O</i>]copper(II)","","- C41 H39 Cu N O9 P2 -","- C41 H39 Cu N O9 P2 -","- C164 H156 Cu4 N4 O36 P8 -","4","0.5","BG3156","Zhou, Mengbo; Song, Li; Niu, Feng; Shu, Kangying; Chai, Wenxiang","A square-pyramidal copper(II) complex with strong intramolecular hydrogen bonds: diaqua(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)bis[2-(diphenylphosphoryl)benzoato-κ<i>O</i>]copper(II)","Acta Crystallographica Section C","2013","69","5","463","466","10.1107/S0108270113008317","","","0.7107","MoKα","","0.0603","0.0403","","","0.085","0.092","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018940","16.4404","0.0005","21.0317","0.0006","9.8219","0.0003","90","","117.814","0.003","90","","3003.75","0.18","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","Chlorido[<i>N</i>,<i>N</i>'-dibenzyl-<i>N</i>''-(trichloroacetyl)phosphoramidato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","","- C28 H24 Cl4 Cu N5 O2 P -","- C28 H24 Cl4 Cu N5 O2 P -","- C112 H96 Cl16 Cu4 N20 O8 P4 -","4","1","BG3157","Gubina, Kateryna; Ovchynnikov, Vladimir; Amirkhanov, Vladymir; Shishkina, Svetlana","Chlorido[<i>N</i>,<i>N</i>'-dibenzyl-<i>N</i>''-(trichloroacetyl)phosphoramidato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section C","2013","69","6","606","609","10.1107/S0108270113011943","","","0.71073","MoKα","","0.0607","0.0387","","","0.0889","0.1008","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018941","9.6679","0.0008","9.7024","0.0008","12.3648","0.001","90","","99.969","0.001","90","","1142.33","0.16","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[2,2'-dimethyl-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) [tetra-μ~2~-thiocyanato-κ^4^<i>S</i>:<i>S</i>;κ^4^<i>S</i>:<i>N</i>-dicopper(I)]]","","- C16 H20 Cu2 N8 S4 -","- C8 H10 Cu N4 S2 -","- C32 H40 Cu4 N16 S8 -","4","1","BG3158","Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Xu, Meng-Zhen; Sun, Di","A novel two-dimensional CuSCN network templated by 2,2'-dimethyl-1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) cations","Acta Crystallographica Section C","2013","69","6","610","612","10.1107/S0108270113011992","","","0.71073","MoKα","","0.0431","0.0377","","","0.1168","0.1226","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018942","25.1037","0.0008","17.2675","0.0008","14.9338","0.0006","90","","90.042","0.002","90","","6473.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tetrakis(μ-3,4-dimethoxy-<i>trans</i>-cinnamato-κ^2^<i>O</i>:<i>O</i>')bis[[4-(1<i>H</i>-pyrazol-3-yl)pyridine]zinc(II)] heptahydrate","","- C60 H72 N6 O23 Zn2 -","- C60 H72 N6 O23 Zn2 -","- C240 H288 N24 O92 Zn8 -","4","0.5","DT3018","Wang, Yi-Long; Shao, Zhu-Jia; Qian, Shao-Song","Binuclear and chain-structure zinc(II) complexes constructed from 3,4-dimethoxy-<i>trans</i>-cinnamic acid and <i>N</i>-donor coligands 4-(1<i>H</i>-pyrazol-3-yl)pyridine and 4,4'-bipyridine","Acta Crystallographica Section C","2013","69","5","471","475","10.1107/S0108270113007075","","","0.71073","MoKα","","0.0524","0.0408","","","0.108","0.1162","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018943","26.6175","0.0011","6.0635","0.0003","18.7796","0.0009","90","","110.954","0.002","90","","2830.5","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[bis(3,4-dimethoxy-<i>trans</i>-cinnamato-κ<i>O</i>)zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']","","- C32 H30 N2 O8 Zn -","- C32 H30 N2 O8 Zn -","- C128 H120 N8 O32 Zn4 -","4","0.5","DT3018","Wang, Yi-Long; Shao, Zhu-Jia; Qian, Shao-Song","Binuclear and chain-structure zinc(II) complexes constructed from 3,4-dimethoxy-<i>trans</i>-cinnamic acid and <i>N</i>-donor coligands 4-(1<i>H</i>-pyrazol-3-yl)pyridine and 4,4'-bipyridine","Acta Crystallographica Section C","2013","69","5","471","475","10.1107/S0108270113007075","","","0.71073","MoKα","","0.0472","0.0394","","","0.0993","0.1049","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018944","9.379","0.002","10.023","0.002","13.773","0.003","101.504","0.003","107.424","0.003","99.561","0.003","1174.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[dibromidocadmium(II)]-μ~3~-1-[(pyridin-3-yl)methyl]-2-[4-(pyridin-3-yl)phenyl]-1<i>H</i>-benzimidazole] monohydrate]","","- C24 H20 Br2 Cd N4 O -","- C24 H20 Br2 Cd N4 O -","- C48 H40 Br4 Cd2 N8 O2 -","2","1","EG3111","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Two one-dimensional coordination polymers generated from a new benzimidazole bridging ligand and Cd<i>X</i>~2~ (<i>X</i> = Br and I)","Acta Crystallographica Section C","2013","69","5","476","479","10.1107/S0108270113006471","","","0.71073","MoKα","","0.0786","0.0624","","","0.1669","0.1784","","","","","","1.104","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2018945","9.128","0.002","10.254","0.003","13.429","0.004","70.065","0.003","77.717","0.004","86.952","0.003","1154.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diiodidocadmium (II)]-μ~3~-1-[(pyridin-3-yl)methyl]-2-[4-(pyridin-3-yl)phenyl]-1<i>H</i>-benzimidazole]","","- C24 H18 Cd I2 N4 -","- C24 H18 Cd I2 N4 -","- C48 H36 Cd2 I4 N8 -","2","1","EG3111","Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Two one-dimensional coordination polymers generated from a new benzimidazole bridging ligand and Cd<i>X</i>~2~ (<i>X</i> = Br and I)","Acta Crystallographica Section C","2013","69","5","476","479","10.1107/S0108270113006471","","","0.71073","MoKα","","0.0361","0.0304","","","0.0745","0.0771","","","","","","1.043","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018946","9.771","0.002","16.807","0.002","19.692","0.002","90","","93.976","0.007","90","","3226.1","0.8","134","2","134","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(3',5'-Dimethylbiphenyl-2-yl)-1<i>H</i>-imidazole-4,5-dicarbonitrile","","- C19 H14 N4 -","- C19 H14 N4 -","- C152 H112 N32 -","8","2","EG3118","Bats, Jan W.; Schell, Peter; Engels, Joachim W.","Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites","Acta Crystallographica Section C","2013","69","5","529","533","10.1107/S0108270113009293","","","0.71073","MoKα","","0.1275","0.0521","","","0.0766","0.0929","","","","","","0.915","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018947","12.373","0.001","10.303","0.002","13.279","0.002","90","","92.578","0.007","90","","1691.1","0.4","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2',4',6'-Trimethylbiphenyl-2-yl)-1<i>H</i>-imidazole-4,5-dicarbonitrile","","- C20 H16 N4 -","- C20 H16 N4 -","- C80 H64 N16 -","4","1","EG3118","Bats, Jan W.; Schell, Peter; Engels, Joachim W.","Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites","Acta Crystallographica Section C","2013","69","5","529","533","10.1107/S0108270113009293","","","0.71073","MoKα","","0.0696","0.0403","","","0.0939","0.1035","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018948","16.7042","0.0014","7.1632","0.0007","15.0528","0.0011","90","","90","","90","","1801.2","0.3","294","2","294","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-[8-(3,5-Dimethylphenyl)naphthalen-1-yl]-1<i>H</i>-imidazole-4,5-dicarbonitrile","","- C23 H16 N4 -","- C23 H16 N4 -","- C92 H64 N16 -","4","1","EG3118","Bats, Jan W.; Schell, Peter; Engels, Joachim W.","Biphenyl- and phenylnaphthalenyl-substituted 1<i>H</i>-imidazole-4,5-dicarbonitrile catalysts for the coupling reaction of nucleoside methyl phosphonamidites","Acta Crystallographica Section C","2013","69","5","529","533","10.1107/S0108270113009293","","","1.5418","CuKα","","0.0271","0.0268","","","0.0701","0.0703","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018949","4.3137","0.0004","27.918","0.002","17.6437","0.0015","90","","93.897","0.001","90","","2119.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(μ-5-iodoisophthalato)(methanol)dilead(II)]","","- C17 H10 I2 O9 Pb2 -","- C17 H10 I2 O9 Pb2 -","- C68 H40 I8 O36 Pb8 -","4","1","EM3057","Luo, Shao-Hua","Poly[bis(μ-5-iodoisophthalato)(methanol)dilead(II)] exhibiting a novel centrosymmetric rhombus-shaped I~4~ unit","Acta Crystallographica Section C","2013","69","5","494","497","10.1107/S0108270113010007","","","0.71073","MoKα","","0.0383","0.0318","","","0.0681","0.0701","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018950","13.5049","0.0004","14.3144","0.0005","19.677","0.0006","89.772","0.002","78.954","0.002","74.262","0.002","3588.8","0.2","293","","293","","","","","","","","","8","P -1","-P 1","2","","Di-μ-dichlorido-bis{bis[2-(5-benzylsulfonyl)-3-fluoro-2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]iridium(III)} toluene monosolvate","","- C79 H60 Cl2 F4 Ir2 N4 O8 S4 -","- C72 H52 Cl2 F4 Ir2 N4 O8 S4 -","- C144 H104 Cl4 F8 Ir4 N8 O16 S8 -","2","1","FA3306","Mesto, Ernesto; Scordari, Fernando; Lacalamita, Maria; De Cola, Luisa; Ragni, Roberta; Farinola, Gianluca Maria","The correct assignment of stereochemistry in di-μ-dichlorido-bis{bis[2-(5-benzylsulfonyl)-3-fluoro-2-(pyridin-2-yl)phenyl-κ^2^<i>N</i>,<i>C</i>^1^]iridium(III)} toluene monosolvate","Acta Crystallographica Section C","2013","69","5","480","482","10.1107/S010827011300663X","","","0.71073","MoKα","","0.0948","0.0443","","0.0653","0.0455","0.0426","","","","","","1.1381","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018951","5.3101","0.0012","29.081","0.007","6.6757","0.0015","90","","90.829","0.003","90","","1030.8","0.4","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolyl-L-serine","(<i>S</i>)-3-Hydroxy-2-[(<i>S</i>)-pyrrolidine-2-carboxamido]propanoic acid","","- C8 H16 N2 O5 -","- C8 H16 N2 O5 -","- C32 H64 N8 O20 -","4","2","FA3314","Görbitz, Carl Henrik; Yadav, Vitthal N.","A water wire in <small>L</small>-prolyl-<small>L</small>-serine monohydrate","Acta Crystallographica Section C","2013","69","5","556","559","10.1107/S0108270113010299","","","0.71073","MoKα","","0.0591","0.0435","","","0.1029","0.1099","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018952","10.454","0.002","35.61","0.007","14.408","0.003","90","","95.61","0.03","90","","5337.9","1.9","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","Benzoic acid 4-benzyloxy-6-(2-chloroacetoxymethyl)-2-(4-methoxyphenoxy)tetrahydropyran-3-yl ester; acetic acid 5-azido-4-benzyloxy-3-(9<i>H</i>-fluoren-9-ylmethoxycarbonyloxy)-6-methoxytetrahydr-pyran-2-ylmethyl ester","4-Methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3-<i>O</i>-benzyl-2-deoxy-4-<i>O</i>-(fluoren-9-ylmethoxycarbonyl)-α-<i>D</i>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-chloroacetyl-β-<i>D</i>-glucopyranoside","","- C59 H56 Cl N3 O16 -","- C59 H56 Cl N3 O16 -","- C236 H224 Cl4 N12 O64 -","4","2","FA3316","Gainsford, Graeme J.; Schwörer, Ralf; Tyler, Peter C.","Translationally related nearly identical molecules: 4-methoxyphenyl 4-<i>O</i>-[6-<i>O</i>-acetyl-2-azido-3-<i>O</i>-benzyl-2-deoxy-4-<i>O</i>-(fluoren-9-ylmethoxycarbonyl)-α-<small>D</small>-glucopyranosyl]-2-<i>O</i>-benzoyl-3-<i>O</i>-benzyl-6-<i>O</i>-chloroacetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section C","2013","69","6","679","682","10.1107/S010827011301367X","","","1.54178","CuKα","","0.084","0.0574","","","0.133","0.1554","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018953","11.8476","0.0003","7.2879","0.0002","12.1343","0.0003","90","","105.018","0.003","90","","1011.94","0.05","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ammonium 5-sulfosalicylate monohydrate","Ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C7 H11 N O7 S -","- C7 H11 N O7 S -","- C28 H44 N4 O28 S4 -","4","1","FG3289","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in two ammonium salts of 5-sulfosalicylic acid: ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate and triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate","Acta Crystallographica Section C","2013","69","5","534","537","10.1107/S0108270113008846","","","0.71073","MoKα","","0.0359","0.0288","","","0.078","0.0798","","","","","","1.102","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018954","18.7682","0.0008","5.0027","0.0002","21.2122","0.001","90","","101.99","0.004","90","","1948.2","0.15","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","triammonium 5-sulfosalicylate","Triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate","","- C14 H21 N3 O12 S2 -","- C14 H21 N3 O12 S2 -","- C56 H84 N12 O48 S8 -","4","1","FG3289","Smith, Graham; Wermuth, Urs D.","Hydrogen bonding in two ammonium salts of 5-sulfosalicylic acid: ammonium 3-carboxy-4-hydroxybenzenesulfonate monohydrate and triammonium 3-carboxy-4-hydroxybenzenesulfonate 3-carboxylato-4-hydroxybenzenesulfonate","Acta Crystallographica Section C","2013","69","5","534","537","10.1107/S0108270113008846","","","0.71073","MoKα","","0.0343","0.0292","","","0.0625","0.0636","","","","","","0.956","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018955","4.5971","0.0003","15.4607","0.0011","41.389","0.003","90","","90.31","0.005","90","","2941.7","0.4","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cadaverinium dibromide","Pentane-1,5-diaminium dibromide","","- C5 H16 Br2 N2 -","- C5.00033 H16 Br2 N2.00033 -","- C60.004 H192 Br24 N24.004 -","12","3","FN3129","Arderne, Charmaine","Pentane-1,5-diaminium dibromide","Acta Crystallographica Section C","2013","69","5","526","528","10.1107/S0108270113007762","","","0.71073","MoKα","","0.057","0.0299","","","0.0471","0.0494","","","","","","0.887","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018956","6.964","0.002","11.3","0.003","13.088","0.004","90","","90","","90","","1029.9","0.5","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","Indium pentaoxidofluoridotellurate(IV)","","- F In O5 Te2 -","- F In O5 Te2 -","- F8 In8 O40 Te16 -","8","1","FN3131","Jennene Boukharrata, Nefla; Duclère, Jean-René; Laval, Jean-Paul; Thomas, Philippe","A new oxyfluorotellurate(IV), InTe~2~O~5~F","Acta Crystallographica Section C","2013","69","5","460","462","10.1107/S010827011300913X","","","0.71073","MoKα","","0.0185","0.015","","","0.0236","0.024","","","","","","1.127","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018957","12.1097","0.0014","12.7228","0.0015","25.46","0.003","90","","90","","90","","3922.6","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[[2-(2-chlorophenoxy)-<i>N</i>'-(2-oxidobenzylidene-κ<i>O</i>)acetohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)]-μ-morpholine-κ^2^<i>N</i>:<i>O</i>]","","- C19 H20 Cl Cu N3 O4 -","- C19 H20 Cl Cu N3 O4 -","- C152 H160 Cl8 Cu8 N24 O32 -","8","1","FN3134","Wang, Min; Lian, Zhao-Xun","<i>catena</i>-Poly[[[2-(2-chlorophenoxy)-<i>N</i>'-(2-oxidobenzylidene-κ<i>O</i>)acetohydrazidato-κ^2^<i>N</i>',<i>O</i>]copper(II)]-μ-morpholine-κ^2^<i>N</i>:<i>O</i>]","Acta Crystallographica Section C","2013","69","6","594","596","10.1107/S0108270113011967","","","0.71073","MoKα","","0.0812","0.0417","","","0.1016","0.1185","","","","","","1.009","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018958","9.5672","0.0019","19.153","0.004","23.006","0.005","90","","101.53","0.03","90","","4130.6","1.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Di-μ~2~-chlorido-dichloridobis(dimethylformamide)tetrakis[μ~3~-1-(2-oxidobenzoyl)-2-(2-oxo-2-phenylethanethioyl)hydrazine-1,2-diido]octacopper(II) dimethylformamide disolvate","","- C72 H68 Cl4 Cu8 N16 O16 S4 -","- C72 H68 Cl4 Cu8 N16 O16 S4 -","- C144 H136 Cl8 Cu16 N32 O32 S8 -","2","0.5","FN3135","Liu, Jian-Jun; Liao, Jian-Zhen; Li, Zuo-Yin; Wang, Yao; Huang, Chang-Cang","Di-μ~2~-chlorido-dichloridobis(dimethylformamide)tetrakis[μ~3~-1-(2-oxidobenzoyl)-2-(2-oxo-2-phenylethanethioyl)hydrazine-1,2-diido]octacopper(II) dimethylformamide disolvate","Acta Crystallographica Section C","2013","69","6","613","615","10.1107/S0108270113012547","","","0.71073","MoKα","","0.137","0.0452","","","0.0564","0.0667","","","","","","0.965","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018959","5.964","0.002","9.777","0.004","17.469","0.006","90","","90","","90","","1018.6","0.6","105","2","105","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>S</i>)-2,6-Dimethylheptane-1,3-diol","","- C9 H20 O2 -","- C9 H20 O2 -","- C36 H80 O8 -","4","1","GZ3232","Høgmoen Åstrand, Ove Alexander; Iqbal, Zeshan; Sandberg, Marcel; Kase, Eili T.; Görbitz, Carl Henrik; Rongved, Pål","(2<i>S</i>,3<i>S</i>)-2,6-Dimethylheptane-1,3-diol, the oxygenated side chain of 22(<i>S</i>)-hydroxycholestrol, and its synthetic precursor (<i>R</i>)-4-benzyl-3-[(2<i>R</i>,3<i>S</i>)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2013","69","6","647","650","10.1107/S0108270113011852","","","0.71073","MoKα","","0.031","0.028","","","0.0728","0.0743","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018960","11.459","0.003","5.7077","0.0013","15.247","0.003","90","","103.827","0.003","90","","968.3","0.4","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>R</i>)-4-Benzyl-3-[(2<i>R</i>,3<i>S</i>)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C38 H54 N2 O8 -","2","1","GZ3232","Høgmoen Åstrand, Ove Alexander; Iqbal, Zeshan; Sandberg, Marcel; Kase, Eili T.; Görbitz, Carl Henrik; Rongved, Pål","(2<i>S</i>,3<i>S</i>)-2,6-Dimethylheptane-1,3-diol, the oxygenated side chain of 22(<i>S</i>)-hydroxycholestrol, and its synthetic precursor (<i>R</i>)-4-benzyl-3-[(2<i>R</i>,3<i>S</i>)-3-hydroxy-2,6-dimethylheptanoyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section C","2013","69","6","647","650","10.1107/S0108270113011852","","","0.71073","MoKα","","0.0416","0.0344","","","0.0829","0.0868","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018961","8.4528","0.0005","8.5689","0.0005","12.4424","0.0007","87.84","0.005","72.284","0.005","87.368","0.008","857.31","0.09","173","2","173","2","","","","","","","","4","P 1","P 1","1","alogliptin","2-({6-[(3<i>R</i>)-3-Aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile","","- C18 H21 N5 O2 -","- C18 H21 N5 O2 -","- C36 H42 N10 O4 -","2","2","GZ3235","Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Alogliptin and its benzoate salt","Acta Crystallographica Section C","2013","69","6","674","678","10.1107/S0108270113012560","","","0.71073","MoKα","","0.0512","0.0443","","","0.0988","0.1019","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018962","8.0666","0.0002","9.8727","0.0002","28.4593","0.0006","90","","90","","90","","2266.47","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","alogliptin benzoate","(3<i>R</i>)-1-{3-[(2-Cyanophenyl)methyl]-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}piperidin-3-aminium benzoate","","- C25 H27 N5 O4 -","- C25 H27 N5 O4 -","- C100 H108 N20 O16 -","4","1","GZ3235","Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Alogliptin and its benzoate salt","Acta Crystallographica Section C","2013","69","6","674","678","10.1107/S0108270113012560","","","1.5418","CuKα","","0.0316","0.0297","","","0.0749","0.0759","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018963","7.41","0.004","9.742","0.004","8.64","0.003","90","","110.7","0.03","90","","583.4","0.5","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-Tetrakis(bromomethyl)cyclobutane","","- C8 H12 Br4 -","- C8 H12 Br4 -","- C16 H24 Br8 -","2","0.5","GZ3236","Kelch, André; Dix, Ina; Hopf, Henning; Jones, Peter G.","Bromine‒bromine interactions in the packing of <i>cis</i>,<i>trans</i>,<i>cis</i>-1,2,3,4-tetrakis(bromomethyl)cyclobutane","Acta Crystallographica Section C","2013","69","6","627","629","10.1107/S0108270113010597","","","0.71073","MoKα","","0.0447","0.0352","","","0.0837","0.0891","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018964","20.412","0.0004","7.173","0.0002","17.8858","0.0004","90","","90","","90","","2618.75","0.11","150","1","150","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","Dicyanido(2,3,4,6,7,9,10,11-octahydropyrimido[2',1':3,4]pyrazino[1,2-<i>a</i>]pyrimidine)nickel(II) hemihydrate","","- C12 H17 N6 Ni O0.5 -","- C12 H17 N6 Ni O0.5 -","- C96 H136 N48 Ni8 O4 -","8","1","KU3094","Stolárová, Monika; Černák, Juraj; Tomás, Milagros; Falvello, Larry R.","Crystal structure and thermal properties of a square-planar Ni^II^ complex of cyanide and a tricyclic bis-amidine ligand formed <i>in situ</i> under solvothermal conditions","Acta Crystallographica Section C","2013","69","6","565","568","10.1107/S0108270113010585","","","0.71073","MoKα","","0.0632","0.0434","","","0.099","0.107","","","","","","1.135","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2018965","8.9365","0.0002","9.7815","0.0002","22.3819","0.0005","86.696","0.002","80.675","0.002","89.888","0.002","1927.34","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide]chloridozinc(II)]-μ-[1,1'-biphenyl]-4,4'-dicarboxylato-[[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide]chloridozinc(II)]-μ-[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide]]","","- C46 H37 Cl N6 O5 Zn -","- C46 H37 Cl N6 O5 Zn -","- C92 H74 Cl2 N12 O10 Zn2 -","2","1","KY3027","Zhou, Wen; Wang, Jian","A one-dimensional zinc(II) coordination polymer incorporating [1,1'-biphenyl]-4,4'-dicarboxylate and <i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide ligands","Acta Crystallographica Section C","2013","69","5","486","490","10.1107/S0108270113008111","","","0.71073","MoKα","","0.0923","0.0497","","","0.0991","0.1138","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018966","13.1611","0.0002","14.0977","0.0002","22.1219","0.0003","90","","90.094","0.002","90","","4104.52","0.1","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","sulfamethazinium 5-nitrosalicylate","2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidinium 2-hydroxy-5-nitrobenzoate","","- C19 H19 N5 O7 S -","- C19 H19 N5 O7 S -","- C152 H152 N40 O56 S8 -","8","2","KY3031","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds with 4-amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (sulfamethazine): the structures and hydrogen bonding in the salts with 5-nitrosalicylic acid and picric acid","Acta Crystallographica Section C","2013","69","5","538","543","10.1107/S0108270113009487","","","0.71073","MoKα","","0.0528","0.0346","","","0.0857","0.0898","","","","","","0.953","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018967","8.3131","0.0002","19.2779","0.0005","13.4483","0.0004","90","","99.158","0.003","90","","2127.74","0.1","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfamethazinium picrate","2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidinium 2,4,6-trinitrophenolate","","- C18 H17 N7 O9 S -","- C18 H17 N7 O9 S -","- C72 H68 N28 O36 S4 -","4","1","KY3031","Smith, Graham; Wermuth, Urs D.","Proton-transfer compounds with 4-amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide (sulfamethazine): the structures and hydrogen bonding in the salts with 5-nitrosalicylic acid and picric acid","Acta Crystallographica Section C","2013","69","5","538","543","10.1107/S0108270113009487","","","0.71073","MoKα","","0.0479","0.0344","","","0.0873","0.0913","","","","","","1.042","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018968","7.4523","0.0002","8.8189","0.0002","12.1288","0.0003","103.263","0.001","99.042","0.001","101.361","0.001","743.36","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Dichlorido[2-(pyridin-2-yl)-1,10-phenanthroline]copper(II)","","- C17 H11 Cl2 Cu N3 -","- C17 H11 Cl2 Cu N3 -","- C34 H22 Cl4 Cu2 N6 -","2","1","LG3106","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Yeung, Bonnie M.; Connick, William B.; Collins, Sibrina N.","X-ray and synchrotron diffraction studies of 2-(pyridin-2-yl)-1,10-phenanthroline in the role of ligand for two copper polymorphs or hydrogen bonded with 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate","Acta Crystallographica Section C","2013","69","5","498","502","10.1107/S0108270113009773","","","1.54178","CuKα","","0.0328","0.0312","","","0.0822","0.0834","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018969","11.863","0.0002","7.7022","0.0002","16.8882","0.0003","90","","106.424","0.001","90","","1480.13","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido[2-(pyridin-2-yl)-1,10-phenanthroline]copper(II)","","- C17 H11 Cl2 Cu N3 -","- C17 H11 Cl2 Cu N3 -","- C68 H44 Cl8 Cu4 N12 -","4","1","LG3106","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Yeung, Bonnie M.; Connick, William B.; Collins, Sibrina N.","X-ray and synchrotron diffraction studies of 2-(pyridin-2-yl)-1,10-phenanthroline in the role of ligand for two copper polymorphs or hydrogen bonded with 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate","Acta Crystallographica Section C","2013","69","5","498","502","10.1107/S0108270113009773","","","1.54178","CuKα","","0.0465","0.0368","","","0.0928","0.098","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018970","8.1051","0.001","21.714","0.003","14.4087","0.0019","90","","96.337","0.003","90","","2520.4","0.6","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,2,6,6-Tetramethyl-4-oxopiperidinium hexafluorophosphate‒2-(pyridin-2-yl)-1,10-phenanthroline","","- C26 H29 F6 N4 O P -","- C26 H29 F6 N4 O P -","- C104 H116 F24 N16 O4 P4 -","4","1","LG3106","Krause, Jeanette A.; Zhao, Daoli; Chatterjee, Sayandev; Yeung, Bonnie M.; Connick, William B.; Collins, Sibrina N.","X-ray and synchrotron diffraction studies of 2-(pyridin-2-yl)-1,10-phenanthroline in the role of ligand for two copper polymorphs or hydrogen bonded with 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate","Acta Crystallographica Section C","2013","69","5","498","502","10.1107/S0108270113009773","","","0.7749","synchrotron","","0.0568","0.0486","","","0.1446","0.1511","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018971","12.332","0.003","12.461","0.003","12.85","0.003","90","","91.31","0.03","90","","1974.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[1<i>H</i>-imidazol-3-ium [tri-μ~2~-formato-manganese(II)]]","","- C6 H8 Mn N2 O6 -","- C6 H8 Mn N2 O6 -","- C48 H64 Mn8 N16 O48 -","8","2","LG3108","Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi","Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations","Acta Crystallographica Section C","2013","69","6","616","619","10.1107/S0108270113012638","","","0.71073","MoKα","","0.0517","0.0279","","","0.0588","0.0724","","","","","","1.052","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018972","8.8324","0.0012","8.8324","0.0012","6.4406","0.0013","90","","90","","90","","502.44","0.14","453","2","453","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","Poly[1<i>H</i>-imidazol-3-ium [tri-μ~2~-formato-manganese(II)]]","","- C6 H8 Mn N2 O6 -","- C6 H8 Mn N2 O6 -","- C12 H16 Mn2 N4 O12 -","2","0.25","LG3108","Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi","Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations","Acta Crystallographica Section C","2013","69","6","616","619","10.1107/S0108270113012638","","","0.71073","MoKα","","0.0557","0.0446","","","0.128","0.1353","","","","","","1.091","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018973","16.156","0.0004","8.4129","0.0001","20.3545","0.0006","90","","109.934","0.001","90","","2600.8","0.11","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","[(1<i>S</i>,2<i>R</i>,<i>R</i>~N~)-2,4-Di-<i>tert</i>-butyl-6-{[(1-oxido-1-\ phenylpropan-2-yl)(methyl)amino]methyl}phenolato](methanol)-<i>cis</i>-\ dioxidomolybdenum(VI)‒[(1<i>S</i>,2<i>R</i>,<i>S</i>~N~)-2,4-di-<i>tert</i>-\ butyl-6-{[(1-oxido-1-phenylpropan-2-\ yl)(methyl)amino]methyl}phenolato](methanol)-<i>cis</i>-dioxidomolybdenum(VI)","","- C26 H39 Mo N O5 -","- C26 H39 Mo N O5 -","- C104 H156 Mo4 N4 O20 -","4","2","LG3109","Sillanpää, Reijo; Hänninen, Mikko M.","A cocrystal of two Mo^VI^ complexes bearing different diastereomers of the 2,4-di-<i>tert</i>-butyl-6-{[(1-oxido-1-phenylpropan-2-yl)(methyl)amino]methyl}phenolate ligand derived from (+)-ephedrine","Acta Crystallographica Section C","2013","69","5","509","512","10.1107/S0108270113010652","","","0.71073","MoKα","","0.042","0.0373","","","0.082","0.0845","","","","","","1.044","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018974","8.6511","0.0007","33.613","0.003","11.9147","0.0009","90","","92.723","0.002","90","","3460.8","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride 1-hydroxypyrrolidine-2,5-dione disolvate","","- C32 H37 Cl2 N4 O10 Rh -","- C32 H37 Cl2 N4 O10 Rh -","- C128 H148 Cl8 N16 O40 Rh4 -","4","1","MX3092","Sivanesan, Dharmalingam; Kim, Hyung Min; Sungho, Yoon","Chlorido(dimethyl 2,2'-bipyridine-4,4'-dicarboxylate-κ^2^<i>N</i>,<i>N</i>')(η^5^-pentamethylcyclopentadienyl)rhodium(III) chloride 1-hydroxypyrrolidine-2,5-dione disolvate","Acta Crystallographica Section C","2013","69","6","584","587","10.1107/S0108270113009633","","","0.71073","MoKα","","0.1048","0.0503","","","0.0734","0.0892","","","","","","0.849","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018975","23.722","0.015","5.72","0.004","16.868","0.011","90","","98.404","0.01","90","","2264","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-Chloro-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline","3-Chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","","- C12 H11 Cl N2 -","- C12 H11 Cl N2 -","- C96 H88 Cl8 N16 -","8","1","MX3093","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","Isomeric 3- and 4-chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section C","2013","69","5","522","525","10.1107/S0108270113007889","","","0.71073","MoKα","","0.0597","0.0419","","","0.1082","0.1195","","","","","","1.008","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018976","13.323","0.003","9.802","0.002","9.107","0.002","90","","109.212","0.004","90","","1123.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-Chloro-N-[1-(1H-pyrrol-2-yl)ethylidene]aniline","4-Chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","","- C12 H11 Cl N2 -","- C12 H11 Cl N2 -","- C48 H44 Cl4 N8 -","4","1","MX3093","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","Isomeric 3- and 4-chloro-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","Acta Crystallographica Section C","2013","69","5","522","525","10.1107/S0108270113007889","","","0.71073","MoKα","","0.0642","0.0472","","","0.1088","0.1189","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018977","15.9611","0.001","19.1464","0.0012","10.162","0.0006","90","","91.335","0.001","90","","3104.6","0.3","185","2","185","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>meso</i>-Tetrakis[4-(heptyloxy)phenyl]porphyrin","","- C72 H86 N4 O4 -","- C72 H86 N4 O4 -","- C144 H172 N8 O8 -","2","0.5","MX3095","Zhao, Hong-Bin; Chen, Liang; Wang, Bang-Ying; Liao, Jun-Xu; Xu, Yong-Jun","<i>meso</i>-Tetrakis[4-(heptyloxy)phenyl]porphyrin","Acta Crystallographica Section C","2013","69","6","651","653","10.1107/S0108270113011232","","","0.71073","MoKα","","0.0707","0.0489","","","0.1107","0.1225","","","","","","0.997","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018978","12.2905","0.0014","12.2905","0.0014","16.133","0.004","90","","90","","90","","2437","0.7","291","2","291","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","Poly[[tetrachlorido{μ~4~-tetrakis[(pyridin-4-yl)oxymethyl]methane-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}dizinc(II)] dimethylformamide tetrasolvate]","","- C37 H52 Cl4 N8 O8 Zn2 -","- C37 H52 Cl4 N8 O8 Zn2 -","- C74 H104 Cl8 N16 O16 Zn4 -","2","0.25","MX3099","Wang, Ya-Qin; Xie, Fa-Zhi; Du, Lin","Poly[[tetrachlorido{μ~4~-tetrakis[(pyridin-4-yl)oxymethyl]methane-κ^4^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>'''}dizinc(II)] dimethylformamide tetrasolvate]","Acta Crystallographica Section C","2013","69","6","577","580","10.1107/S0108270113010937","","","0.71073","MoKα","","0.046","0.0311","","","0.0825","0.0863","","","","","","1.072","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2018979","16.282","0.003","17.74","0.003","11.608","0.002","90","","90","","90","","3352.9","1","173","","173","","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>rac</i>-Bis{μ-<i>trans</i>-2,2'-[pentane-1,5-diylbis(azanediyl)]ditroponato}dipalladium(II)","","- C38 H40 N4 O4 Pd2 -","- C38 H40 N4 O4 Pd2 -","- C152 H160 N16 O16 Pd8 -","4","0.5","OV3021","Komiya, Naruyoshi; Kageyama, Takeharu; Naito, Masaya; Naota, Takeshi","A clothes-peg-shaped binuclear <i>trans</i>-bis(2-aminotroponato)palladium(II) complex bearing pentamethylene spacers","Acta Crystallographica Section C","2013","69","5","503","505","10.1107/S0108270113004484","","","0.71075","MoKα","","","0.0214","","","","0.0555","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018980","6.9527","0.0011","6.5631","0.001","10.4284","0.0019","90","","97.094","0.014","90","","472.22","0.14","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>L</i>-Serinium semi-maleate","<i>L</i>-Serinium semi-maleate","","- C7 H11 N O7 -","- C7 H11 N O7 -","- C14 H22 N2 O14 -","2","1","OV3025","Arkhipov, Sergey G.; Zakharov, Boris A.; Boldyreva, Elena V.","Semi-maleate salts of <small>L</small>- and <small>DL</small>-serinium: the first example of chiral and racemic serinium salts with the same composition and stoichiometry","Acta Crystallographica Section C","2013","69","5","517","521","10.1107/S0108270113006720","","","0.71073","MoKα","","0.0603","0.039","","","0.0646","0.0699","","","","","","0.932","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018981","5.9406","0.0003","8.9527","0.0004","9.3796","0.0003","79.239","0.003","75.528","0.003","86.771","0.004","474.5","0.04","297","2","297","2","","","","","","","","4","P -1","-P 1","2","<i>DL</i>-Serinium semi-maleate","<i>DL</i>-Serinium semi-maleate","","- C7 H11 N O7 -","- C7 H11 N O7 -","- C14 H22 N2 O14 -","2","1","OV3025","Arkhipov, Sergey G.; Zakharov, Boris A.; Boldyreva, Elena V.","Semi-maleate salts of <small>L</small>- and <small>DL</small>-serinium: the first example of chiral and racemic serinium salts with the same composition and stoichiometry","Acta Crystallographica Section C","2013","69","5","517","521","10.1107/S0108270113006720","","","0.71073","MoKα","","0.0549","0.0435","","","0.1079","0.1153","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018982","10.342","0.008","10.408","0.008","15.633","0.012","72.226","0.011","82.736","0.012","60.549","0.009","1394.8","1.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Bis(4-methyl-{5-[5-methyl-2-(pyridin-3-ylcarbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl}phenyl pyridine-3-carboxylate)bis(perchlorato)copper(II)","","- C56 H40 Cl2 Cu N8 O18 -","- C56 H40 Cl2 Cu N8 O18 -","- C56 H40 Cl2 Cu N8 O18 -","1","0.5","OV3026","Wu, Xiang-Wen; Xin, Meng-Meng; Ma, Jian-Ping; Wu, Zhen-Hua; Dong, Yu-Bin","The coordination chemistry of two symmetric double-armed oxadiazole-bridged organic ligands with copper salts","Acta Crystallographica Section C","2013","69","6","601","605","10.1107/S0108270113010913","","","0.71073","MoKα","","0.0871","0.0586","","","0.138","0.1547","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018983","9.26","0.002","12.597","0.003","15.623","0.004","96.709","0.004","102.843","0.004","108.464","0.004","1650.4","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Diacetonitriledi-μ~3~-iodido-di-μ~2~-iodido-bis(4-methyl-{5-[5-methyl-2-(pyridin-4-ylcarbonyloxy)phenyl]-1,3,4-oxadiazol-2-yl}phenyl pyridine-4-carboxylate)tetracopper(I)","","- C60 H46 Cu4 I4 N10 O10 -","- C60 H46 Cu4 I4 N10 O10 -","- C60 H46 Cu4 I4 N10 O10 -","1","0.5","OV3026","Wu, Xiang-Wen; Xin, Meng-Meng; Ma, Jian-Ping; Wu, Zhen-Hua; Dong, Yu-Bin","The coordination chemistry of two symmetric double-armed oxadiazole-bridged organic ligands with copper salts","Acta Crystallographica Section C","2013","69","6","601","605","10.1107/S0108270113010913","","","0.71073","MoKα","","0.067","0.0453","","","0.0943","0.1038","","","","","","0.983","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018984","12.432","0.004","7.587","0.003","12.507","0.004","90","","90","","90","","1179.7","0.7","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","Dirubidium pentacadmium tetraarsenide","Dirubidium pentacadmium tetraarsenide","","- As4 Cd5 Rb2 -","- As4 Cd5 Rb2 -","- As16 Cd20 Rb8 -","4","0.25","OV3027","He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen","Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~","Acta Crystallographica Section C","2013","69","5","455","459","10.1107/S010827011300766X","","","0.71073","MoKα","","0.0318","0.0214","","","0.0406","0.0431","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018985","12.3975","0.0011","7.5516","0.0007","12.4514","0.0011","90","","90","","90","","1165.71","0.18","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","Dirubidium pentazinc tetraantimonide","Dirubidium pentazinc tetraantimonide","","- Rb2 Sb4 Zn5 -","- Rb2 Sb4 Zn5 -","- Rb8 Sb16 Zn20 -","4","0.25","OV3027","He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen","Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~","Acta Crystallographica Section C","2013","69","5","455","459","10.1107/S010827011300766X","","","0.71073","MoKα","","0.021","0.0182","","","0.0375","0.0387","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018986","12.6086","0.0011","7.6761","0.0006","12.6232","0.0011","90","","90","","90","","1221.73","0.18","200","2","200","2","","","","","","","","4","C m c m","-C 2c 2","63","","Dirubidium pentacadmium tetra(arsenide/antimonide)","","- As3 Cd5 Rb2 Sb -","- As3.004 Cd5 Rb2 Sb0.996 -","- As12.016 Cd20 Rb8 Sb3.984 -","4","0.25","OV3027","He, Hua; Stoyko, Stanislav S.; Mar, Arthur; Bobev, Svilen","Ternary K~2~Zn~5~As~4~-type pnictides Rb~2~Cd~5~As~4~ and Rb~2~Zn~5~Sb~4~, and the solid solution Rb~2~Cd~5~(As,Sb)~4~","Acta Crystallographica Section C","2013","69","5","455","459","10.1107/S010827011300766X","","","0.71073","MoKα","","0.0148","0.0132","","","0.026","0.0264","","","","","","1.094","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018987","18.6202","0.0012","11.7427","0.0007","14.9474","0.0009","90","","98.999","0.002","90","","3228","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6-Methylamino-5-nitro-2,4-diphenyl-4<i>H</i>-pyran-3-carbonitrile","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C152 H120 N24 O24 -","8","1","OV3028","Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith","N—H···O and N—H···N interactions in three pyran derivatives","Acta Crystallographica Section C","2013","69","6","642","646","10.1107/S0108270113010676","","","0.71073","MoKα","","0.0466","0.0371","","","0.0948","0.1015","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018988","7.6736","0.0014","8.6808","0.0015","13.152","0.002","81.498","0.011","75.721","0.011","79.851","0.011","830.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(3-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4<i>H</i>-pyran-3-carbonitrile","","- C19 H14 F N3 O3 -","- C19 H14 F N3 O3 -","- C38 H28 F2 N6 O6 -","2","1","OV3028","Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith","N—H···O and N—H···N interactions in three pyran derivatives","Acta Crystallographica Section C","2013","69","6","642","646","10.1107/S0108270113010676","","","0.71073","MoKα","","0.0517","0.04","","","0.1233","0.1362","","","","","","1.054","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018989","9.4556","0.0002","9.9562","0.0002","11.1806","0.0003","95.81","0.001","111.785","0.001","109.362","0.001","891.39","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Chlorophenyl)-6-methylamino-5-nitro-2-phenyl-4<i>H</i>-pyran-3-carbonitrile","","- C19 H14 Cl N3 O3 -","- C19 H14 Cl N3 O3 -","- C38 H28 Cl2 N6 O6 -","2","1","OV3028","Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith","N—H···O and N—H···N interactions in three pyran derivatives","Acta Crystallographica Section C","2013","69","6","642","646","10.1107/S0108270113010676","","","0.71073","MoKα","","0.0563","0.045","","","0.1208","0.1299","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018990","4.916","0.002","8.998","0.003","21.604","0.006","90","","94.445","0.007","90","","952.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4,6a,7,10,10a-Fexahydro-7,10-epoxypyrimido[2,1-<i>a</i>]isoindol-6(2<i>H</i>)-one","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","SF3191","Mitchell, Lauren A.; Stanley, Julie M.; Espinosa De Hoyos, Liliana; Holliday, Bradley J.","A comparison of 3,4,6a,7,10,10a-hexahydro-7,10-epoxypyrimido[2,1-<i>a</i>]isoindol-6(2<i>H</i>)-one and 2-(2-aminoethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione: structural and reactivity differences of two homologous tricyclic imides","Acta Crystallographica Section C","2013","69","6","638","641","10.1107/S0108270113010706","","","0.71069","MoKα","","0.0398","0.0372","","","0.098","0.0996","","","","","","1.051","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018991","17.84","0.002","6.8747","0.0006","16.2125","0.0017","90","","102.419","0.005","90","","1941.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Aminoethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C80 H96 N16 O24 -","8","2","SF3191","Mitchell, Lauren A.; Stanley, Julie M.; Espinosa De Hoyos, Liliana; Holliday, Bradley J.","A comparison of 3,4,6a,7,10,10a-hexahydro-7,10-epoxypyrimido[2,1-<i>a</i>]isoindol-6(2<i>H</i>)-one and 2-(2-aminoethyl)-3a,4,7,7a-tetrahydro-1<i>H</i>-4,7-epoxyisoindole-1,3(2<i>H</i>)-dione: structural and reactivity differences of two homologous tricyclic imides","Acta Crystallographica Section C","2013","69","6","638","641","10.1107/S0108270113010706","","","0.71075","MoKα","","0.0606","0.0456","","","0.1132","0.1246","","","","","","1.065","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018992","5.218","0.0013","20.188","0.005","10.503","0.003","90","","101.139","0.003","90","","1085.6","0.5","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Poly[[μ~4~-5-carboxy-4-carboxylato-2-(pyridin-4-yl)-1<i>H</i>-imidazol-1-ido]disilver(I)]","","- C10 H5 Ag2 N3 O4 -","- C10 H5 Ag2 N3 O4 -","- C40 H20 Ag8 N12 O16 -","4","1","SF3194","Deng, Zhi-He; Peng, Zhen-Jian; Huang, Jun","A new three-dimensional silver(I) coordination framework with a diamondoid topology constructed from 2-(pyridin-4-yl)-1<i>H</i>-imidazole-4,5-dicarboxylic acid","Acta Crystallographica Section C","2013","69","5","467","470","10.1107/S0108270113006768","","","0.71073","MoKα","","0.0396","0.0381","","","0.0952","0.0969","","","","","","1.109","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018993","9.196","0.005","10.491","0.005","11.186","0.005","102.407","0.005","98.185","0.005","105.697","0.005","991.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis[2-(2<i>H</i>-tetrazol-5-yl)pyridinium] tetrachloridozincate(II)","","- C12 H12 Cl4 N10 Zn -","- C12 H12 Cl4 N10 Zn -","- C24 H24 Cl8 N20 Zn2 -","2","1","SF3195","Paciorek, Patrycja; Szklarzewicz, Janusz; Nitek, Wojciech","A simple and safe method for the preparation of bis[2-(2<i>H</i>-tetrazol-5-yl)pyridinium] tetrachloridozincate(II)","Acta Crystallographica Section C","2013","69","5","513","516","10.1107/S0108270113010809","","","0.71069","MoKα","","0.0431","0.029","","","","0.0699","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018994","6.7538","0.0014","22.852","0.005","8.959","0.0018","90","","90","","90","","1382.7","0.5","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]]","","- C10 H16 Cd Cl3 N -","- C10 H16 Cd Cl3 N -","- C40 H64 Cd4 Cl12 N4 -","4","1","SK3472","Wu, De-Hong; Jin, Lei","A one-dimensional <i>ABX</i>~3~-type coordination polymer: <i>catena</i>-poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]]","Acta Crystallographica Section C","2013","69","5","491","493","10.1107/S010827011300930X","","","0.71073","MoKα","","0.0327","0.0266","","","0.0543","0.056","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018995","16.133","0.002","16.133","0.002","11.684","0.004","90","","90","","120","","2633.6","1","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","<i>catena</i>-Poly[tris(μ~3~-acetylacetonato)nickelate(II)sodium(I)]","","- C15 H21 Na Ni O6 -","- C15 H21 Na Ni O6 -","- C90 H126 Na6 Ni6 O36 -","6","0.166667","SK3482","Baldo, Bianca; Cruz, Carlos; Venegas-Yazigi, Diego; Vega, Andres; Paredes-García, Verónica","<i>catena</i>-Poly[tris(μ~3~-acetylacetonato)nickelate(II)sodium(I)]","Acta Crystallographica Section C","2013","69","5","506","508","10.1107/S0108270113009797","","","0.71073","MoKα","","0.0312","0.0262","","","0.067","0.0702","","","","","","1.142","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018996","7.4961","0.0003","7.6923","0.0003","10.8821","0.0007","73.421","0.005","84.844","0.006","88.53","0.006","598.97","0.05","120","2","120","","","","","","","","","4","P -1","-P 1","2","Benzaldehyde methyl(pyrazin-2-ylcarbonyl)hydrazone","<i>N</i>'-Benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazide","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C26 H24 N8 O2 -","2","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71075","MoKα","","0.042","0.0355","","","0.111","0.1187","","","","","","1.173","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018997","4.032","0.005","10.628","0.015","15.034","0.019","94.08","0.03","90.36","0.03","92.07","0.03","642.2","1.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","<i>N</i>'-(2-Methoxybenzylidene)-<i>N</i>-methylpyrazine-2-carbohydrazide","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C28 H28 N8 O4 -","2","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71075","MoKα","","0.0668","0.0548","","","0.1466","0.1588","","","","","","1.1","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2018998","19.395","0.003","3.9517","0.0005","23.27","0.003","90","","124.89","0.009","90","","1462.9","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(4-Cyanobenzylidene)-<i>N</i>-methylpyrazine-2-carbohydrazide dihydrate","","- C14 H15 N5 O3 -","- C14 H15 N5 O3 -","- C56 H60 N20 O12 -","4","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71075","MoKα","","0.0908","0.0629","","","0.1872","0.2479","","","","","","1.227","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2018999","17.51","0.002","10.5421","0.0011","14.9638","0.0014","90","","107.887","0.008","90","","2628.7","0.5","120","2","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-Methyl-<i>N</i>'-(4-nitrobenzylidene)pyrazine-2-carbohydrazide","","- C13 H11 N5 O3 -","- C13 H11 N5 O3 -","- C104 H88 N40 O24 -","8","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71075","MoKα","","0.0696","0.0604","","","0.1592","0.1685","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019000","3.7974","0.0002","33.3126","0.0017","10.0959","0.0005","90","","99.027","0.002","90","","1261.33","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Methyl-<i>N</i>'-(2-nitrobenzylidene)pyrazine-2-carbohydrazide","","- C13 H11 N5 O3 -","- C13 H11 N5 O3 -","- C52 H44 N20 O12 -","4","1","SK3484","Gomes, Ligia R.; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; da Lima, Camillo H.; de Souza, Marcus V. N.","Five <i>N</i>'-benzylidene-<i>N</i>-methylpyrazine-2-carbohydrazides","Acta Crystallographica Section C","2013","69","5","549","555","10.1107/S0108270113010056","","","0.71073","MoKα","","0.112","0.0802","","","0.1756","0.1959","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019001","11.5883","0.0003","10.3101","0.0002","15.5888","0.0004","90","","94.891","0.003","90","","1855.71","0.08","112","2","112","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[(tetrahydrofuran-κ<i>O</i>)potassium]-μ-(η^5^:η^5^)-2,3,4,5-tetramethyl-1-<i>n</i>-pentylcyclopentadienyl]","","- C18 H31 K O -","- C18 H31 K O -","- C72 H124 K4 O4 -","4","1","SK3485","Seidel, Rüdiger W.; Ganesamoorthy, Chelladurai; Loerke, Sinah; Winter, Manuela V.; Gemel, Christian; Fischer, Roland A.","<i>catena</i>-Poly[[(tetrahydrofuran-κ<i>O</i>)potassium]-μ-(η^5^:η^5^)-2,3,4,5-tetramethyl-1-<i>n</i>-pentylcyclopentadienyl]","Acta Crystallographica Section C","2013","69","6","573","576","10.1107/S0108270113011074","","","1.54184","CuKα","","0.0524","0.0436","","","0.114","0.1214","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019002","7.9681","0.0006","9.8543","0.0006","11.1812","0.0008","74.974","0.006","72.481","0.006","76.59","0.006","797.24","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","Bromidobis[2-(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>O</i>]copper(II) bromide monohydrate","","- C12 H16 Br2 Cu N2 O3 -","- C12 H16 Br2 Cu N2 O3 -","- C24 H32 Br4 Cu2 N4 O6 -","2","1","SK3487","Lah, Nina; Lapanje, Katja","Bromidobis[2-(pyridin-2-yl)methanol-κ^2^<i>N</i>,<i>O</i>]copper(II) bromide monohydrate","Acta Crystallographica Section C","2013","69","6","624","626","10.1107/S0108270113013437","","","0.71073","MoKα","","0.0526","0.0413","","","0.0853","0.092","","","","","","1.035","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019003","8.2432","0.0012","13.327","0.003","11.6819","0.0019","90","","99.743","0.011","90","","1264.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-(1,3-Benzothiazol-2-yl)-3-(4-fluorophenyl)acrylonitrile","","- C16 H9 F N2 S -","- C16 H9 F N2 S -","- C64 H36 F4 N8 S4 -","4","1","SK3489","Trilleras, Jorge; Velásquez, Kelly; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-2-(1,3-Benzothiazol-2-yl)-3-(4-fluorophenyl)acrylonitrile: a chain of π-stacked hydrogen-bonded rings","Acta Crystallographica Section C","2013","69","6","671","673","10.1107/S0108270113013267","","","0.71073","MoKα","","0.0901","0.0489","","","0.1092","0.1304","","","","","","1.091","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019004","9.2089","0.001","17.9875","0.0017","23.697","0.002","90","","90","","90","","3925.3","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Ethyl (2<i>S</i>)-2-[(3<i>S</i>,5a<i>S</i>,9a<i>S</i>,10a<i>S</i>)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3<i>H</i>-pyrazino[1,2-<i>a</i>]indol-2-yl]pentanoate","","- C19 H30 N2 O4 -","- C19 H30 N2 O4 -","- C152 H240 N16 O32 -","8","2","TP3019","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Remko, Milan","An orthorhombic polymorph of a cyclization product of perindopril","Acta Crystallographica Section C","2013","69","6","630","633","10.1107/S0108270113011025","","","1.54178","CuKα","","0.0712","0.0567","","","0.1281","0.1445","","","","","","1.12","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019005","9.2606","0.0008","9.2606","0.0008","44.847","0.004","90","","90","","90","","3846","0.6","100","","100","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","Ethyl (2<i>S</i>)-2-[(3<i>S</i>,5a<i>S</i>,9a<i>S</i>,10a<i>S</i>)-3-methyl-1,4-dioxo-5a,6,7,8,9,9a,10,10a-octahydro-3<i>H</i>-pyrazino[1,2-<i>a</i>]indol-2-yl]pentanoate","","- C19 H30 N2 O4 -","- C19 H30 N2 O4 -","- C152 H240 N16 O32 -","8","1","TP3019","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław; Remko, Milan","An orthorhombic polymorph of a cyclization product of perindopril","Acta Crystallographica Section C","2013","69","6","630","633","10.1107/S0108270113011025","","","1.54178","CuKα","","0.0392","0.0391","","","0.1066","0.1067","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019006","5","0.0002","17.1211","0.0006","6.4421","0.0003","90","","105.864","0.004","90","","530.48","0.04","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","6-Ethoxyquinoline N-oxide dihydrate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C20 H26 N2 O8 -","2","1","TP3021","Moreno-Fuquen, Rodolfo; Hernandez, Geraldine; Kennedy, Alan R.; Morrison, Catriona A.","Supramolecular study, Hirshfeld analysis and theoretical study of 6-methoxyquinoline <i>N</i>-oxide dihydrate","Acta Crystallographica Section C","2013","69","6","665","670","10.1107/S0108270113011979","","","0.71073","MoKα","","0.0406","0.035","","","0.0757","0.0793","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019007","13.4857","0.0004","5.0971","0.0001","11.5521","0.0003","90","","111.018","0.003","90","","741.24","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Butane-1,4-diyl bis(4-oxopentanoate)","","- C14 H22 O6 -","- C14 H22 O6 -","- C28 H44 O12 -","2","0.5","UK3066","Gainsford, Graeme J.; Hinkley, Simon","Alkyl levulinates as `green chemistry' precursors: butane-1,4-diyl bis(4-oxopentanoate) and hexane-1,6-diyl bis(4-oxopentanoate)","Acta Crystallographica Section C","2013","69","6","654","657","10.1107/S0108270113011980","","","1.54178","CuKα","","0.0406","0.0351","","","0.0883","0.0938","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019008","14.9937","0.0007","5.0837","0.0002","11.4485","0.0005","90","","108.11","0.005","90","","829.41","0.07","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","hexane-1,6-diyl bis(4-oxopentanoate)","","- C16 H26 O6 -","- C16 H26 O6 -","- C32 H52 O12 -","2","0.5","UK3066","Gainsford, Graeme J.; Hinkley, Simon","Alkyl levulinates as `green chemistry' precursors: butane-1,4-diyl bis(4-oxopentanoate) and hexane-1,6-diyl bis(4-oxopentanoate)","Acta Crystallographica Section C","2013","69","6","654","657","10.1107/S0108270113011980","","","1.54178","CuKα","","0.0808","0.0562","","","0.1428","0.1593","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019009","10.5129","0.0013","10.5849","0.0013","12.7572","0.0016","83.6258","0.0014","87.7599","0.0011","60.5657","0.0014","1228.5","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","Hexadecacarbonylbis{μ~3~-[(diphenylphosphanyl)methanediidyl]sulfanido}-μ~4~-disulfido(2-)-hexairon(4 <i>Fe</i>—<i>Fe</i>)","","- C42 H20 Fe6 O16 P2 S4 -","- C42 H20 Fe6 O16 P2 S4 -","- C42 H20 Fe6 O16 P2 S4 -","1","0.5","WQ3029","Shi, Yao-Cheng; Cheng, Huan-Ren; Cheng, Da-Cong","A novel hexairon cluster with one disulfide and two Ph~2~PCS^3{-^} ligands","Acta Crystallographica Section C","2013","69","6","581","583","10.1107/S0108270113009049","","","0.71073","MoKα","","0.0382","0.0268","","","0.0644","0.0708","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019010","8.3467","0.001","10.453","0.001","16.7393","0.0018","90","","96.689","0.009","90","","1450.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-di-<i>tert</i>-butyl(hydroxy)silanolato]bis[chloridoindium(III)]","","- C16 H38 Cl4 In2 O4 Si2 -","- C16 H38 Cl4 In2 O4 Si2 -","- C32 H76 Cl8 In4 O8 Si4 -","2","0.5","WQ3030","Scholz, Stefan; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram","An approach to creating novel anions: silylated triel compounds with ‒CH~2~‒ and ‒O‒ linkers, [InCl~2~{O(HO)Si(<i>t</i>-Bu)~2~}]~2~ and Li[B(CH~2~SiMe~3~)~4~]","Acta Crystallographica Section C","2013","69","6","569","572","10.1107/S0108270113009311","","","0.71073","MoKα","","0.0749","0.0559","","","0.1312","0.14","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019011","10.5661","0.0007","11.7334","0.001","18.1342","0.0012","90","","93.153","0.005","90","","2244.8","0.3","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","Tetrakis(tetrahydrofuran)lithium tetrakis[(trimethylsilyl)methyl]borate","","- C32 H76 B Li O4 Si4 -","- C32 H76 B Li O4 Si4 -","- C64 H152 B2 Li2 O8 Si8 -","2","1","WQ3030","Scholz, Stefan; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram","An approach to creating novel anions: silylated triel compounds with ‒CH~2~‒ and ‒O‒ linkers, [InCl~2~{O(HO)Si(<i>t</i>-Bu)~2~}]~2~ and Li[B(CH~2~SiMe~3~)~4~]","Acta Crystallographica Section C","2013","69","6","569","572","10.1107/S0108270113009311","","","0.71073","MoKα","","0.1299","0.0706","","","0.1163","0.1354","","","","","","0.96","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019012","16.735","0.004","6.4066","0.0017","24.197","0.006","90","0.001","93.0512","0.0011","90","0.001","2590.6","1.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5,8,11-Tetrakis(5-hexylthiophen-2-yl)tetrathieno[2,3-<i>a</i>:3',2'-<i>c</i>:2'',3''-<i>f</i>:3''',2'''-<i>h</i>]naphthalene","","- C58 H64 S8 -","- C58.048 H64 S8 -","- C116.096 H128 S16 -","2","0.5","WQ3031","Gao, Libin","Synthesis and photophysical properties of 2,5,8,11-tetrakis(5-hexylthiophen-2-yl)tetrathieno[2,3-<i>a</i>:3',2'-<i>c</i>:2'',3''-<i>f</i>:3''',2'''-<i>h</i>]naphthalene","Acta Crystallographica Section C","2013","69","6","634","637","10.1107/S0108270113010895","","","0.7107","MoKα","","0.098","0.0766","","","0.1701","0.1838","","","","","","1.126","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019013","7.7131","0.0011","9.26","0.0013","10.2716","0.0015","113.988","0.002","91.893","0.003","94.895","0.002","665.97","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[bis[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]bis(thiocyanato-κ<i>N</i>)cobalt(II)] dihydrate]","","- C18 H28 Co N14 O2 S2 -","- C18 H28 Co N14 O2 S2 -","- C18 H28 Co N14 O2 S2 -","1","0.5","WQ3033","Tao, Jian-Qing; Mao, Dan; Wang, Jun","Magnetic investigations of a two-dimensional coordination polymer with a three-dimensional supramolecular framework: poly[[bis[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]bis(thiocyanato-κ<i>N</i>)cobalt(II)] dihydrate]","Acta Crystallographica Section C","2013","69","6","597","600","10.1107/S0108270113011153","","","0.71073","MoKα","","0.0505","0.0482","","","0.1211","0.1232","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019014","8.7426","0.0011","14.3464","0.0019","7.2686","0.001","90","","110.808","0.002","90","","852.2","0.2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[diaquatetra-μ~2~-chlorido-[μ~2~-2,2'-(piperazine-1,4-diium-1,4-diyl)diacetate]dicadmium(II)]","","- C8 H18 Cd2 Cl4 N2 O6 -","- C8 H18 Cd2 Cl4 N2 O6 -","- C16 H36 Cd4 Cl8 N4 O12 -","2","0.5","WQ3034","Xu, Xiao-Juan; Miao, Jian-Yun; Wang, Jun","A novel two-dimensional coordination polymer: poly[diaquatetra-μ~2~-chlorido-[μ~2~-2,2'-(piperazine-1,4-diium-1,4-diyl)diacetate]dicadmium(II)]","Acta Crystallographica Section C","2013","69","6","620","623","10.1107/S0108270113013000","","","0.71073","MoKα","","0.0326","0.0309","","","0.0806","0.082","","","","","","1.146","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019015","13.5649","0.0013","11.8142","0.0011","8.1678","0.0012","90","","99.281","0.01","90","","1291.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(2-Chlorophenyl)pyrrolo[1,2-<i>a</i>]quinoxaline","","- C17 H11 Cl N2 -","- C17 H11 Cl N2 -","- C68 H44 Cl4 N8 -","4","1","YF3029","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","A chain of π-stacked molecules in 4-(2-chlorophenyl)pyrrolo[1,2-<i>a</i>]quinoxaline and a hydrogen-bonded sheet in (4<i>RS</i>)-4-(1,3-1,3-benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-<i>a</i>]quinoxaline","Acta Crystallographica Section C","2013","69","5","544","548","10.1107/S0108270113009098","","","0.71073","MoKα","","0.07","0.0426","","","0.0994","0.1161","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019016","26.59","0.003","6.289","0.0009","17.2655","0.0019","90","","104.017","0.011","90","","2801.2","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>RS</i>)-4-(1,3-Benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-<i>a</i>]quinoxaline","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","1","YF3029","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","A chain of π-stacked molecules in 4-(2-chlorophenyl)pyrrolo[1,2-<i>a</i>]quinoxaline and a hydrogen-bonded sheet in (4<i>RS</i>)-4-(1,3-1,3-benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-<i>a</i>]quinoxaline","Acta Crystallographica Section C","2013","69","5","544","548","10.1107/S0108270113009098","","","0.71073","MoKα","","0.0785","0.0486","","","0.0999","0.1137","","","","","","1.08","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019017","10.9287","0.0008","9.5775","0.0007","16.0272","0.0012","90","","91.051","0.005","90","","1677.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Tribenzylphosphane","","- C21 H21 P -","- C21 H21 P -","- C84 H84 P4 -","4","1","YF3030","Levason, William; Pugh, David; Reid, Gillian","Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1)","Acta Crystallographica Section C","2013","69","5","560","564","10.1107/S0108270113010226","","","0.71073","MoKα","","0.0932","0.0492","","","0.0932","0.1089","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019018","13.941","0.005","13.941","0.005","15.693","0.007","90","","90","","120","","2641.3","1.8","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","Tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1)","","- C42 H44 Cl2 P2 -","- C42 H44 Cl2 P2 -","- C126 H132 Cl6 P6 -","3","0.333333","YF3030","Levason, William; Pugh, David; Reid, Gillian","Tribenzylphosphane and its hydrochloride salt, tribenzylphosphonium hydrogen dichloride‒tribenzylphosphane (1/1)","Acta Crystallographica Section C","2013","69","5","560","564","10.1107/S0108270113010226","","","0.71073","MoKα","","0.0483","0.0419","","","0.0958","0.0993","","","","","","1.021","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019019","11.838","0.001","12.1071","0.0011","17.8029","0.0018","74.134","0.002","71.044","0.001","71.872","0.001","2250.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Tris[1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium)] bis[tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI)]","","- C30 H48 Mo24 N12 O80 P2 -","- C30 H48 Mo24 N12 O80 P2 -","- C30 H48 Mo24 N12 O80 P2 -","1","0.5","YF3031","Zhang, Qian; Liu, Jie; Lu, Jing; Gong, Shu-Wen","Two polyoxometallate-based supramolecular compounds influenced by the ratio between the polyoxometallate anion and organic cation","Acta Crystallographica Section C","2013","69","6","588","593","10.1107/S0108270113011554","","","0.71073","MoKα","","0.0616","0.0387","","","0.0858","0.1027","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019020","11.235","0.0012","11.7211","0.0013","11.8459","0.0013","102.194","0.001","98.184","0.001","115.998","0.002","1320.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","1,1'-(butane-1,4-diyl)bis(1<i>H</i>-imidazol-3-ium) 1-[4-(1<i>H</i>-imidazol-1-yl)butyl]-1<i>H</i>-imidazol-3-ium tetracosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI) dihydrate","","- C20 H34 Mo12 N8 O42 P -","- C20 H34 Mo12 N8 O42 P -","- C20 H34 Mo12 N8 O42 P -","1","0.5","YF3031","Zhang, Qian; Liu, Jie; Lu, Jing; Gong, Shu-Wen","Two polyoxometallate-based supramolecular compounds influenced by the ratio between the polyoxometallate anion and organic cation","Acta Crystallographica Section C","2013","69","6","588","593","10.1107/S0108270113011554","","","0.71073","MoKα","","0.0711","0.0503","","","0.1069","0.1226","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019021","7.437","0.003","15.164","0.007","11.278","0.005","90","","90","","90","","1271.9","1","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Poly[(dimethylformamide-κ<i>O</i>)(μ~4~-5-methoxyisophthalato-κ^4^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)manganese(II)]","","- C12 H13 Mn N O6 -","- C12 H13 Mn N O6 -","- C48 H52 Mn4 N4 O24 -","4","1","YP3025","Huang, Xiao-Hui","A three-dimensional manganese(II) metal‒organic framework based on 5-methoxybenzene-1,3-dicarboxylic acid and exhibiting a pts net","Acta Crystallographica Section C","2013","69","5","483","485","10.1107/S0108270113008512","","","0.71073","MoKα","","0.0266","0.0235","","","0.046","0.0472","","","","","","1.025","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019022","7.063","0.0002","10.3833","0.0005","14.8591","0.0007","90","","90","","90","","1089.73","0.08","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cysteamine tartrate(1-) monohydrate","","- C6 H15 N O7 S -","- C6 H15 N O7 S -","- C24 H60 N4 O28 S4 -","4","1","YP3029","Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme","Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid","Acta Crystallographica Section C","2013","69","6","658","664","10.1107/S0108270113012377","","","0.71073","MoKα","","0.051","0.0387","","","","0.0932","","","","","","1.064","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019023","5.7281","0.0003","9.3699","0.0005","24.677","0.0014","90","","90","","90","","1324.46","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cystamine tartrate(2-)","","- C8 H18 N2 O6 S2 -","- C8 H18 N2 O6 S2 -","- C32 H72 N8 O24 S8 -","4","1","YP3029","Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme","Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid","Acta Crystallographica Section C","2013","69","6","658","664","10.1107/S0108270113012377","","","0.71073","MoKα","","0.0879","0.0601","","","","0.1393","","","","","","1.046","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019024","7.3425","0.0005","10.5227","0.0008","26.983","0.002","90","","90","","90","","2084.8","0.3","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cystamine bis[tartrate(1-)] dihydrate","","- C12 H28 N2 O14 S2 -","- C12 H28 N2 O14 S2 -","- C48 H112 N8 O56 S8 -","4","1","YP3029","Benylles, Amina; Cairns, Donald; Cox, Philip J.; Kay, Graeme","Three salts from the reactions of cysteamine and cystamine with <small>L</small>-(+)-tartaric acid","Acta Crystallographica Section C","2013","69","6","658","664","10.1107/S0108270113012377","","","0.71073","MoKα","","0.1259","0.0782","","","","0.1517","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019025","6.6159","0.0003","14.5242","0.0007","14.5449","0.0007","87.035","0.004","81.713","0.004","76.947","0.004","1347.03","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate","","- C18 H30 Cd Cl4 N2 O6 P2 -","- C18 H30 Cd Cl4 N2 O6 P2 -","- C36 H60 Cd2 Cl8 N4 O12 P4 -","2","1","EG3124","Du, Chao-Jun; Wang, Li-Sheng","1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate and the cobaltate(II) analogue","Acta Crystallographica Section C","2013","69","7","738","741","10.1107/S0108270113015436","","","0.71073","MoKα","","0.0455","0.0318","","","0.0653","0.069","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019026","6.6448","0.0004","14.4213","0.0014","14.4804","0.0016","87.523","0.008","80.727","0.007","76.99","0.007","1334.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocobaltate(II) dihydrate","","- C18 H30 Cl4 Co N2 O6 P2 -","- C18 H30 Cl4 Co N2 O6 P2 -","- C36 H60 Cl8 Co2 N4 O12 P4 -","2","1","EG3124","Du, Chao-Jun; Wang, Li-Sheng","1,4-Bis{[hydroxy(phenyl)phosphoryl]methyl}piperazine-1,4-diium tetrachloridocadmate(II) dihydrate and the cobaltate(II) analogue","Acta Crystallographica Section C","2013","69","7","738","741","10.1107/S0108270113015436","","","0.71073","MoKα","","0.1195","0.0689","","","0.1372","0.1566","","","","","","0.991","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019027","11.0959","0.0008","7.4038","0.0005","17.1944","0.0013","90","","92.115","0.001","90","","1411.59","0.18","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,1,3,3-tetramethylguanidine <i>p</i>-toluenesulfinate","1,1,3,3-Tetramethylguanidinium 4-methylbenzenesulfinate","","- C12 H21 N3 O2 S -","- C12 H21 N3 O2 S -","- C48 H84 N12 O8 S4 -","4","1","EG3125","Kaupang, Åsmund; Görbitz, Carl Henrik; Bonge-Hansen, Tore","A solid-state oxidation of 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfinate to 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfonate","Acta Crystallographica Section C","2013","69","7","778","780","10.1107/S0108270113015011","","","0.71073","MoKα","","0.0345","0.0302","","","0.0812","0.0851","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019028","11.185","0.003","7.648","0.002","17.415","0.005","90","","93.169","0.004","90","","1487.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,1,3,3-tetramethylguanidine <i>p</i>-toluenesulfonate","1,1,3,3-Tetramethylguanidinium 4-methylbenzenesulfonate","","- C12 H21 N3 O2.82 S -","- C12 H21 N3 O2.816 S -","- C48 H84 N12 O11.264 S4 -","4","1","EG3125","Kaupang, Åsmund; Görbitz, Carl Henrik; Bonge-Hansen, Tore","A solid-state oxidation of 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfinate to 1,1,3,3-tetramethylguanidinium 4-methylbenzenesulfonate","Acta Crystallographica Section C","2013","69","7","778","780","10.1107/S0108270113015011","","","0.71073","MoKα","","0.1195","0.0628","","","0.1305","0.1546","","","","","","1.081","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019029","7.1093","0.0003","8.1905","0.0004","11.6494","0.0006","110.117","0.005","93.566","0.004","104.589","0.004","608.09","0.06","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-4-[(2-Carbamoylhydrazinylidene)methyl]-3-hydroxy-5-hydroxymethyl-2-methylpyridin-1-ium nitrate","","- C9 H13 N5 O6 -","- C9 H13 N5 O6 -","- C18 H26 N10 O12 -","2","1","FA3317","Novaković, Sladjana B.; Bogdanović, Goran A.; Leovac, Vukadin M.; Rodić, Marko V.; Vojinović-Ješić, Ljiljana S.; Ivković, Sonja","(<i>E</i>)-4-[(2-Carbamoylhydrazinylidene)methyl]-3-hydroxy-5-hydroxymethyl-2-methylpyridin-1-ium nitrate","Acta Crystallographica Section C","2013","69","7","761","764","10.1107/S0108270113013929","","","1.5418","CuKα","","0.0435","0.0422","","","0.121","0.1227","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019030","7.4412","0.0001","10.0576","0.0001","23.0738","0.0003","93.1684","0.0012","95.7542","0.0015","97.1347","0.001","1700.84","0.04","90","","90","","","","","","","","","4","P -1","-P 1","2","1,4-bis(ferrocenylphenylethynyl)anthraquinone","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone","","- C50 H32 Fe2 O2 -","- C50 H32 Fe2 O2 -","- C100 H64 Fe4 O4 -","2","1","FA3318","Sachiko, Maki; Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Takata, Masaki; Kondo, Mio; Murata, Masaki; Sakamoto, Ryota; Nishihara, Hiroshi","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone from synchrotron X-ray powder diffraction","Acta Crystallographica Section C","2013","69","7","696","703","10.1107/S0108270113013978","powder diffraction","","1.00123","synchrotron","","0.03","","","","","","","","2.56","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019031","7.5426","0.0001","10.1265","0.0001","23.282","0.0003","92.5207","0.0012","95.7302","0.0014","97.0177","0.0011","1753.3","0.04","300","","300","","","","","","","","","4","P -1","-P 1","2","1,4-bis(ferrocenylphenylethynyl)anthraquinone","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone","","- C50 H32 Fe2 O2 -","- C50 H32 Fe2 O2 -","- C100 H64 Fe4 O4 -","2","1","FA3318","Sachiko, Maki; Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Takata, Masaki; Kondo, Mio; Murata, Masaki; Sakamoto, Ryota; Nishihara, Hiroshi","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone from synchrotron X-ray powder diffraction","Acta Crystallographica Section C","2013","69","7","696","703","10.1107/S0108270113013978","powder diffraction","","1.00123","synchrotron","","0.034","","","","","","","","1.44","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019032","7.756","0.0002","9.9761","0.0003","24.4467","0.0008","90.764","0.001","101.61","0.001","95.104","0.001","1844.56","0.1","500","","500","","","","","","","","","4","P -1","-P 1","2","1,4-bis(ferrocenylphenylethynyl)anthraquinone","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone","","- C50 H32 Fe2 O2 -","- C50 H32 Fe2 O2 -","- C100 H64 Fe4 O4 -","2","1","FA3318","Sachiko, Maki; Nishibori, Eiji; Aoyagi, Shinobu; Sakata, Makoto; Takata, Masaki; Kondo, Mio; Murata, Masaki; Sakamoto, Ryota; Nishihara, Hiroshi","1,4-Bis[2-(4-ferrocenylphenyl)ethynyl]anthraquinone from synchrotron X-ray powder diffraction","Acta Crystallographica Section C","2013","69","7","696","703","10.1107/S0108270113013978","powder diffraction","","1.00164","synchrotron","","0.031","","","","","","","","1.44","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019033","7.782","0.004","10.802","0.005","9.512","0.005","90","","104.885","0.009","90","","772.8","0.7","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","uranyl valerate","Diaquadioxidobis(<i>n</i>-valerato-κ^2^<i>O</i>,<i>O</i>')uranium(VI)","","- C10 H22 O8 U -","- C10 H22 O8 U -","- C20 H44 O16 U2 -","2","0.25","FA3320","Savchenkov, Anton V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","The first uranyl complexes with valerate ions","Acta Crystallographica Section C","2013","69","7","721","726","10.1107/S0108270113014832","","","0.71073","MoKα","","0.0251","0.0251","","","0.0588","0.0588","","","","","","0.998","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019034","17.294","0.003","23.405","0.004","20.862","0.003","90","","90","","90","","8444","2","100","2","100","2","","","","","","","","5","C 2 2 21","C 2c 2","20","potassium uranyl valerate","Potassium dioxidotris(<i>n</i>-valerato-κ^2^<i>O</i>,<i>O</i>')uranium(VI)","","- C15 H27 K O8 U -","- C15 H27 K O8 U -","- C240 H432 K16 O128 U16 -","16","2","FA3320","Savchenkov, Anton V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N.","The first uranyl complexes with valerate ions","Acta Crystallographica Section C","2013","69","7","721","726","10.1107/S0108270113014832","","","0.71073","MoKα","","0.0851","0.0655","","","0.1833","0.1933","","","","","","1.253","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019035","24.906","0.004","18.144","0.002","8.328","0.002","90","","90","","90","","3763.4","1.2","299","2","299","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ^2^<i>S</i>^3^,<i>S</i>^6^)palladium(II) acetonitrile 0.8-solvate","","- C13.6 H24.4 Cl2 N0.8 Pd S3 -","- C13.588 H24.382 Cl2 N0.794 Pd S3 -","- C108.704 H195.056 Cl16 N6.352 Pd8 S24 -","8","1","FN3138","Dawe, Louise Nicole; Penney, Lisa; Black, Daniel A.; Miller, David O.; Lucas, C. Robert","<i>cis</i>-Dichlorido(3,6,9-trithiabicyclo[9.3.1]pentadecane-κ^2^<i>S</i>^3^,<i>S</i>^6^)palladium(II) acetonitrile 0.8-solvate","Acta Crystallographica Section C","2013","69","7","727","729","10.1107/S0108270113015060","","","0.71069","MoKα","","0.0992","0.0376","","","0.0926","0.1093","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019036","20.7076","0.0007","10.7885","0.0003","17.5044","0.0005","90","","108.187","0.003","90","","3715.2","0.2","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate","","- C30 H38 Cd N6 O8 S4 -","- C30 H38 Cd N6 O8 S4 -","- C120 H152 Cd4 N24 O32 S16 -","4","0.5","FN3139","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","Two isomorphous transition metal complexes displaying a coordinated tetrathionate unit: bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate and the zinc(II) analogue","Acta Crystallographica Section C","2013","69","7","745","749","10.1107/S0108270113016521","","","0.71073","MoKα","","0.0494","0.029","","","0.0611","0.0648","","","","","","1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019037","20.8508","0.0012","10.8334","0.0008","16.9888","0.001","90","","107.956","0.007","90","","3650.6","0.4","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate","","- C30 H38 N6 O8 S4 Zn -","- C30 H38 N6 O8 S4 Zn -","- C120 H152 N24 O32 S16 Zn4 -","4","0.5","FN3139","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","Two isomorphous transition metal complexes displaying a coordinated tetrathionate unit: bis(4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(tetrathionato-κ^2^<i>S</i>,<i>S</i>')cadmium(II) dimethylformamide disolvate and the zinc(II) analogue","Acta Crystallographica Section C","2013","69","7","745","749","10.1107/S0108270113016521","","","0.71073","MoKα","","0.1018","0.0515","","","0.0872","0.1038","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019038","13.5365","0.0007","13.5365","0.0007","13.5365","0.0007","90","","90","","90","","2480.4","0.2","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Dithulium hexacobalt icosastannide","","- Co6 Sn20 Tm2.22 -","- Co6 Sn20 Tm2.216 -","- Co24 Sn80 Tm8.864 -","4","0.0208333","KU3095","Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Pavlyuk, Volodymyr","Tm~2.22~Co~6~Sn~20~ and TmLi~2~Co~6~Sn~20~ stannides as disordered derivatives of the Cr~23~C~6~ structure type","Acta Crystallographica Section C","2013","69","7","683","688","10.1107/S0108270113014492","","","0.71073","MoKα","","0.0356","0.0295","","","0.077","0.0813","","","","","","1.083","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019039","13.5371","0.0016","13.5371","0.0016","13.5371","0.0016","90","","90","","90","","2480.7","0.5","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Thulium dilithium hexacobalt icosastannide","","- Co6 Li2 Sn20 Tm -","- Co6 Li2 Sn20 Tm -","- Co24 Li8 Sn80 Tm4 -","4","0.0208333","KU3095","Stetskiv, Andrij; Rozdzynska-Kielbik, Beata; Pavlyuk, Volodymyr","Tm~2.22~Co~6~Sn~20~ and TmLi~2~Co~6~Sn~20~ stannides as disordered derivatives of the Cr~23~C~6~ structure type","Acta Crystallographica Section C","2013","69","7","683","688","10.1107/S0108270113014492","","","0.71073","MoKα","","0.0326","0.0282","","","0.0584","0.0602","","","","","","1.001","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019040","18.1669","0.0016","7.2059","0.0006","26.435","0.002","90","","90","","90","","3460.6","0.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","μ-Aqua-octaaquabis(μ-2-thiobarbiturato-κ^2^<i>O</i>:<i>O</i>')bis(2-thiobarbiturato-κ<i>O</i>)tetralithium(I) dihydrate","","- C16 H34 Li4 N8 O19 S4 -","- C16 H34 Li4 N8 O19 S4 -","- C64 H136 Li16 N32 O76 S16 -","4","1","KU3096","Golovnev, Nikolay; Molokeev, Maxim","Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li^I^ and Na^I^","Acta Crystallographica Section C","2013","69","7","704","708","10.1107/S0108270113014078","","","0.71073","MoKα","","0.0664","0.0529","","","0.1356","0.1462","","","","","","1.029","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019041","7.4043","0.0011","10.6987","0.0016","11.4837","0.0017","101.175","0.002","106.932","0.002","92.527","0.002","848.8","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Poly[μ~2~-aqua-tetraaqua(μ~4~-2-thiobarbiturato-κ^4^<i>O</i>:<i>O</i>:<i>S</i>:<i>S</i>)(μ~2~-thiobarbiturato-κ^2^<i>O</i>:<i>S</i>)disodium(I)]","","- C8 H16 N4 Na2 O9 S2 -","- C8 H14 N4 Na2 O9 S2 -","- C16 H28 N8 Na4 O18 S4 -","2","1","KU3096","Golovnev, Nikolay; Molokeev, Maxim","Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li^I^ and Na^I^","Acta Crystallographica Section C","2013","69","7","704","708","10.1107/S0108270113014078","","","0.71073","MoKα","","0.0747","0.0443","","","0.1036","0.1193","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019042","7.8239","0.0017","11.033","0.002","21.677","0.004","90","","98.125","0.004","90","","1852.4","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetranitratobis{μ-5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione}zinc(II)","","- C28 H24 N12 O14 S2 Zn2 -","- C28 H24 N12 O14 S2 Zn2 -","- C56 H48 N24 O28 S4 Zn4 -","2","0.5","KY3029","Zhao, Hang-Ju; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Zn^II^ and Cu^II^ complexes generated from 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2013","69","7","716","720","10.1107/S0108270113012134","","","0.71073","MoKα","","0.0793","0.0525","","","0.1014","0.1122","","","","","","1.036","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019043","12.012","0.006","13.225","0.007","14.402","0.007","99.751","0.007","110.223","0.007","106.204","0.007","1969.8","1.7","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[[dinitratocopper(II)]-bis{μ-5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione}] nitrate acetonitrile sesquisolvate dichloromethane sesquisolvate]","","- C32.5 H31.5 Cl3 Cu N11.5 O8 S2 -","- C32.5 H31.5 Cl3 Cu N11.5 O8 S2 -","- C65 H63 Cl6 Cu2 N23 O16 S4 -","2","1","KY3029","Zhao, Hang-Ju; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","Zn^II^ and Cu^II^ complexes generated from 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section C","2013","69","7","716","720","10.1107/S0108270113012134","","","0.71073","MoKα","","0.0665","0.0515","","","0.1428","0.1697","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019044","7.7326","0.0009","10.9427","0.001","12.6997","0.0013","90","","101.948","0.011","90","","1051.31","0.19","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate","","- C11 H12 O4 -","- C11 H12 O4 -","- C44 H48 O16 -","4","1","LG3110","Paz, Cristian; Moreno, Yanko; Becerra, José; Silva, Mario; Burgos, Viviana; Freire, Eleonora; Baggio, Ricardo","(<i>E</i>)-Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate: a natural polymorph extracted from <i>Aristotelia chilensis</i> (Maqui)","Acta Crystallographica Section C","2013","69","7","765","769","10.1107/S0108270113013991","","","0.71073","MoKα","","0.0688","0.0441","","","0.103","0.119","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019045","6.2088","0.0004","6.4128","0.0006","18.7953","0.001","88.989","0.002","87.64","0.002","61.736","0.002","658.57","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","<i>N</i>,<i>N</i>'-Bis[2-(<i>tert</i>-butyldimethylsiloxy)ethyl]ethylenediammonium dichloride","2,2,3,3,14,14,15,15-Octamethyl-4,13-dioxa-7,10-diaza-3,14-disilahexadecane-7,10-diium dichloride","","- C18 H46 Cl2 N2 O2 Si2 -","- C18 H46 Cl2 N2 O2 Si2 -","- C18 H46 Cl2 N2 O2 Si2 -","1","0.5","LG3111","Wen, Mei-Feng; Lin, Bi-Ting; He, Chang-Shuai; Wu, Jian-Zhong","Hydrogen-bonding network of <i>N</i>,<i>N</i>'-bis[2-(<i>tert</i>-butyldimethylsiloxy)ethyl]ethylenediammonium dichloride","Acta Crystallographica Section C","2013","69","7","787","789","10.1107/S0108270113015084","","","0.71073","MoKα","","0.046","0.0412","","","0.111","0.1147","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019046","20.787","0.004","24.404","0.005","29.456","0.006","83.68","0.03","89.65","0.03","67.11","0.03","13671","6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Triphenylsilanol‒4,4'-bipyridyl (4/1)","","- C82 H72 N2 O4 Si4 -","- C82 H72 N2 O4 Si4 -","- C656 H576 N16 O32 Si32 -","8","4","LG3115","Cascarano, Giovanni L.; Ferguson, George; Giacovazzo, Carmelo; Glidewell, Christopher; Spek, Anthony L.","Triphenylsilanol‒4,4'-bipyridyl (4/1): the <i>Z</i>' = 4 polymorph revisited","Acta Crystallographica Section C","2013","69","7","774","777","10.1107/S0108270113014601","","","0.71073","MoKα","","0.2045","0.0632","","","0.1349","0.1876","","","","","","0.921","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019047","10.1474","0.0001","12.8562","0.0001","14.5494","0.0001","90","","92.92","","90","","1895.61","0.03","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Olanzapine acetic acid monosolvate","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine acetic acid monosolvate","","- C19 H24 N4 O2 S -","- C19 H24 N4 O2 S -","- C76 H96 N16 O8 S4 -","4","1","OV3029","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław","Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates","Acta Crystallographica Section C","2013","69","7","781","786","10.1107/S010827011301411X","","","1.54178","CuKα","","0.0332","0.0326","","","0.0932","0.0936","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019048","24.5414","0.0004","12.5088","0.0003","15.3096","0.0004","90","","125.314","0.001","90","","3835.01","0.16","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Olanzapine propan-2-ol hemisolvate monohydrate","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine propan-2-ol hemisolvate monohydrate","","- C18.5 H26 N4 O1.5 S -","- C18.5 H26 N4 O1.5 S -","- C148 H208 N32 O12 S8 -","8","1","OV3029","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław","Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates","Acta Crystallographica Section C","2013","69","7","781","786","10.1107/S010827011301411X","","","1.54178","CuKα","","0.035","0.0348","","","0.0996","0.0998","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019049","24.5759","0.0014","12.5608","0.0005","15.1607","0.0009","90","","125.79","0.009","90","","3796.3","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Olanzapine propan-2-one hemisolvate monohydrate","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine propan-2-one hemisolvate monohydrate","","- C18.5 H25 N4 O1.5 S -","- C18.5 H25 N4 O1.5 S -","- C148 H200 N32 O12 S8 -","8","1","OV3029","Bojarska, Joanna; Maniukiewicz, Waldemar; Sieroń, Lesław","Three new olanzapine structures: the acetic acid monosolvate, and the propan-2-ol and propan-2-one hemisolvate monohydrates","Acta Crystallographica Section C","2013","69","7","781","786","10.1107/S010827011301411X","","","0.71073","MoKα","","0.0806","0.0373","","","0.0851","0.0897","","","","","","0.816","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019050","19.1372","0.0011","63.972","0.004","6.9053","0.0005","90","","90","","90","","8453.8","0.9","91","2","91","2","","","","","","","","4","F d d 2","F 2 -2d","43","","Methyl 4-bromo-3,5-dimethoxybenzoate","","- C10 H11 Br O4 -","- C10 H11 Br O4 -","- C320 H352 Br32 O128 -","32","2","OV3030","Saeed, Aamer; Qasim, Muhammad; Simpson, Jim","Br···O contacts and π‒π stacking dominate the packing in methyl 4-bromo-3,5-dimethoxybenzoate","Acta Crystallographica Section C","2013","69","7","790","793","10.1107/S0108270113015229","","","0.71073","MoKα","","0.0306","0.0263","","","0.0564","0.0577","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019051","4.7546","0.0005","6.1071","0.0014","25.541","0.005","90","","93.686","0.012","90","","740.1","0.2","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl 4-[2-(4-chlorobenzoyl)hydrazino]-3-nitrobenzoate","","- C15 H12 Cl N3 O5 -","- C15 H12 Cl N3 O5 -","- C30 H24 Cl2 N6 O10 -","2","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.0449","0.0393","","","0.0921","0.0959","","","","","","1.112","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019052","4.5445","0.0006","16.5768","0.0008","19.812","0.002","90","","92.107","0.009","90","","1491.5","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 4-[2-(2-fluorobenzoyl)hydrazino]-3-nitrobenzoate","","- C15 H12 F N3 O5 -","- C15 H12 F N3 O5 -","- C60 H48 F4 N12 O20 -","4","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.0839","0.0444","","","0.105","0.1198","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019053","5.9193","0.0014","28.138","0.002","7.3091","0.0008","90","","94.762","0.014","90","","1213.2","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-phenyl-1,2,4-benzotriazine-6-carboxylate","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.09","0.067","","","0.2372","0.2545","","","","","","1.115","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019054","7.2326","0.0004","12.3516","0.0013","29.695","0.003","90","","90","","90","","2652.8","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Methyl 3-(4-methylphenyl)-1,2,4-benzotriazine- 6-carboxylate","","- C16 H13 N3 O2 -","- C16 H13 N3 O2 -","- C128 H104 N24 O16 -","8","1","SF3196","Cortés, Edwar; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Four related esters: two 4-(aroylhydrazinyl)-3-nitrobenzoates and two 3-aryl-1,2,4-benzotriazine-6-carboxylates","Acta Crystallographica Section C","2013","69","7","754","760","10.1107/S0108270113013590","","","0.71073","MoKα","","0.1144","0.0617","","","0.1517","0.1883","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019055","18.416","0.003","9.2907","0.0017","16.229","0.003","90","","98.059","0.005","90","","2749.3","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[μ-<i>N</i>,<i>N</i>'-Bis(pyridin-3-yl)benzene-1,4-dicarboxamide-1:2κ^2^<i>N</i>:<i>N</i>']bis{[<i>N</i>,<i>N</i>'-bis(pyridin-3-yl)benzene-1,4-dicarboxamide-κ<i>N</i>]diiodidomercury(II)}","","- C54 H42 Hg2 I4 N12 O6 -","- C54 H42 Hg2 I4 N12 O6 -","- C108 H84 Hg4 I8 N24 O12 -","2","0.5","SF3199","Wu, Xiao-Liu; Zhang, Xiao-Min; Huang, Shu-Yun; Zhou, Wei-Na; Wang, Zhi-Chang","A novel two-dimensional metal‒organic supramolecular framework including π‒π stacking and hydrogen-bond interactions","Acta Crystallographica Section C","2013","69","7","730","733","10.1107/S0108270113015151","","","0.71073","MoKα","","0.0462","0.0295","","","0.0706","0.0883","","","","","","1.058","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019056","9.4006","0.0009","27.461","0.003","9.5349","0.0009","90","","105.987","0.001","90","","2366.2","0.4","151","2","151","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua(2-phenylquinoline-4-carboxylato-κ<i>O</i>)silver(I)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]","","- C26 H24 Ag N3 O5 -","- C26 H24 Ag N3 O5 -","- C104 H96 Ag4 N12 O20 -","4","1","SK3483","Guo, Jun-Fang; Guo, Bing-Xin; Wu, Jiang-Yu; Yan, Guo-Ping","A three-dimensional supramolecular framework of silver(I), 2-phenylquinoline-4-carboxylate and 4,4'-bipyridine","Acta Crystallographica Section C","2013","69","7","742","744","10.1107/S010827011301559X","","","0.71069","MoKα","","0.0539","0.0405","","","0.0926","0.0991","","","","","","1.047","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019057","8.5783","0.001","8.7819","0.0012","10.2156","0.0013","114.835","0.013","98.036","0.01","98.616","0.011","672.67","0.17","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","(3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-Octamethyl-1,4,8,11-tetraazacyclotetradecane)bis(perchlorato-κ<i>O</i>)copper(II) 1.2-hydrate","","- C18 H42.4 Cl2 Cu N4 O9.2 -","- C18 H42.4 Cl2 Cu N4 O9.2 -","- C18 H42.4 Cl2 Cu N4 O9.2 -","1","0.5","SK3486","Nath, Babul Chandra; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Two solvatomorphic forms of a copper complex formulated as Cu(<i>L</i>^1^)(ClO~4~)~2~·1.2H~2~O and Cu(<i>L</i>^1^)(ClO~4~)~2~, where <i>L</i>^1^ is 3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2013","69","7","689","695","10.1107/S0108270113013711","","","0.71073","MoKα","","0.0857","0.055","","","0.1388","0.1702","","","","","","0.929","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019058","9.0206","0.0002","16.7979","0.0004","17.3754","0.0005","90","","90","","90","","2632.84","0.11","294","2","294","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-Octamethyl-1,4,8,11-tetraazacyclotetradecane)bis(perchlorato-κ<i>O</i>)copper(II)","","- C18 H40 Cl2 Cu N4 O8 -","- C18 H40 Cl2 Cu N4 O8 -","- C72 H160 Cl8 Cu4 N16 O32 -","4","0.5","SK3486","Nath, Babul Chandra; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Two solvatomorphic forms of a copper complex formulated as Cu(<i>L</i>^1^)(ClO~4~)~2~·1.2H~2~O and Cu(<i>L</i>^1^)(ClO~4~)~2~, where <i>L</i>^1^ is 3,10-C-<i>meso</i>-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane","Acta Crystallographica Section C","2013","69","7","689","695","10.1107/S0108270113013711","","","0.71073","MoKα","","0.0587","0.0436","","","0.1068","0.116","","","","","","1.07","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019059","8.2485","0.0003","9.7291","0.0003","19.8055","0.0006","90","","94.737","0.003","90","","1583.97","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I)","","- C12 H14 Au2 Br2 N2 -","- C12 H14 Au2 Br2 N2 -","- C48 H56 Au8 Br8 N8 -","4","1","SK3492","Döring, Cindy; Jones, Peter G.","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity?","Acta Crystallographica Section C","2013","69","7","709","711","10.1107/S0108270113015047","","","0.71073","MoKα","","0.0349","0.0246","","","0.0451","0.0477","","","","","","1.082","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019060","7.9048","0.0003","9.5597","0.0003","20.1036","0.0007","90","","99.421","0.004","90","","1498.69","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I)","","- C12 H14 Au2 Cl2 N2 -","- C12 H14 Au2 Cl2 N2 -","- C48 H56 Au8 Cl8 N8 -","4","1","SK3492","Döring, Cindy; Jones, Peter G.","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity?","Acta Crystallographica Section C","2013","69","7","709","711","10.1107/S0108270113015047","","","0.71073","MoKα","","0.0315","0.0226","","","0.0383","0.0402","","","","","","1.038","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019061","8.0221","0.0007","9.7523","0.0006","19.9889","0.001","90","","97.552","0.006","90","","1550.25","0.18","295","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-picolino)gold(I) dichloroaurate(I)","","- C12 H14 Au2 Cl2 N2 -","- C12 H14 Au2 Cl2 N2 -","- C48 H56 Au8 Cl8 N8 -","4","1","SK3492","Döring, Cindy; Jones, Peter G.","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity?","Acta Crystallographica Section C","2013","69","7","709","711","10.1107/S0108270113015047","","","0.71073","MoKα","","0.0682","0.035","","","0.056","0.0645","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019062","7.9579","0.0004","9.667","0.0005","19.9987","0.0009","90","","98.25","0.005","90","","1522.56","0.13","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(4-picolino)gold(I) dichloroaurate(I)","","- C12 H14 Au2 Cl2 N2 -","- C12 H14 Au2 Cl2 N2 -","- C48 H56 Au8 Cl8 N8 -","4","1","SK3492","Döring, Cindy; Jones, Peter G.","Bis(4-picoline-κ<i>N</i>)gold(I) dibromidoaurate(I) and bis(4-picoline-κ<i>N</i>)gold(I) dichloridoaurate(I): space-group ambiguity?","Acta Crystallographica Section C","2013","69","7","709","711","10.1107/S0108270113015047","","","0.71073","MoKα","","0.0517","0.0312","","","0.0498","0.0545","","","","","","1.049","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019063","9.6572","0.0005","9.6878","0.0005","5.7627","0.0003","90.588","0.003","76.997","0.003","97.467","0.002","520.76","0.05","293","","293","","","","","","","","","5","P -1","-P 1","2","Ca(gly)2.3H2O","poly[[di-μ-aqua-bis(glycinato-κ^2^<i>N</i>,<i>O</i>)calcium(II)] monohydrate]","","- C4 H14 Ca N2 O7 -","- C4 H14 Ca N2 O7 -","- C8 H28 Ca2 N4 O14 -","2","1","SK3493","Le Bail, Armel; Daudon, Michel; Bazin, Dominique","A new compound in kidney stones? Powder X-ray diffraction study of calcium glycinate trihydrate","Acta Crystallographica Section C","2013","69","7","734","737","10.1107/S0108270113015709","powder diffraction","","1.5418","CuKα","","6.82","","","","","","","","2.05","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019064","12.748","0.005","13.227","0.005","14.46","0.005","103.344","0.004","109.689","0.004","97.861","0.004","2171.6","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Poly[[aqua-μ~3~-chlorido-tris[μ~3~-4-(pyridin-4-yl)benzoato]tris[μ~2~-4-(pyridin-4-yl)benzoato]dicopper(I)erbium(III)] dihydrate]","","- C48 H38 Cl Cu2 Er N4 O11 -","- C48 H38 Cl Cu2 Er N4 O11 -","- C96 H76 Cl2 Cu4 Er2 N8 O22 -","2","1","WQ3036","Cao, Gao-Juan; Li, Qing-Lu; Rong, Cheng; Wang, Yu-Lin","A tubular one-dimensional polymer constructed from alternating clusters of europium(III)‒water and copper(I) chloride bridged by 4-(pyridin-4-yl)benzoate","Acta Crystallographica Section C","2013","69","7","712","715","10.1107/S0108270113014765","","","0.71073","MoKα","","0.028","0.0259","","","0.0651","0.0672","","","","","","1.055","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019065","7.8778","0.0012","11.2134","0.0014","11.7613","0.0014","69.368","0.012","73.893","0.012","89.07","0.011","930.3","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","thiamine pyrophosphate dihydrate","3-[(4-Amino-2-methylpyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl hydrogen pyrophosphate dihydrate","","- C12 H22 N4 O9 P2 S -","- C12 H22 N4 O9 P2 S -","- C24 H44 N8 O18 P4 S2 -","2","1","WQ3039","Li, Shu-Qiang; Hu, Ning-Hai","Two hydrate pseudopolymorphs of thiamine pyrophosphate: a dihydrate and a trihydrate","Acta Crystallographica Section C","2013","69","7","794","797","10.1107/S0108270113015783","","","0.71073","MoKα","","0.0474","0.0379","","","0.1111","0.1156","","","","","","1.053","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019066","8.3776","0.0012","9.2397","0.0013","14.208","0.002","87.896","0.011","74.324","0.013","75.559","0.011","1024.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","Thiamine pyrophosphate trihydrate","3-[(4-Amino-2-methylpyrimidin-1-ium-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl hydrogen pyrophosphate trihydrate","","- C12 H24 N4 O10 P2 S -","- C12 H24 N4 O10 P2 S -","- C24 H48 N8 O20 P4 S2 -","2","1","WQ3039","Li, Shu-Qiang; Hu, Ning-Hai","Two hydrate pseudopolymorphs of thiamine pyrophosphate: a dihydrate and a trihydrate","Acta Crystallographica Section C","2013","69","7","794","797","10.1107/S0108270113015783","","","0.71073","MoKα","","0.0481","0.0396","","","0.1069","0.1105","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019067","10.157","0.002","5.7147","0.0005","21.208","0.003","90","","105.048","0.015","90","","1188.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-4-anilino-1<i>H</i>-isochromen-1-one","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","YF3035","Vicentes, Daniel E.; Rodríguez, Ricaurte; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers in 3-amino-4-anilino-1<i>H</i>-isochromen-1-one and a hydrogen-bonded sheet in 3-amino-4-[methyl(phenyl)amino]-1<i>H</i>-isochromen-1-one","Acta Crystallographica Section C","2013","69","7","770","773","10.1107/S0108270113014777","","","0.71073","MoKα","","0.0807","0.0472","","","0.0955","0.1134","","","","","","1.096","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019068","14.5018","0.0015","7.7796","0.0008","11.608","0.002","90","","95.728","0.013","90","","1303.1","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Amino-4-[methyl(phenyl)amino]-1<i>H</i>-isochromen-1-one","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","YF3035","Vicentes, Daniel E.; Rodríguez, Ricaurte; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded dimers in 3-amino-4-anilino-1<i>H</i>-isochromen-1-one and a hydrogen-bonded sheet in 3-amino-4-[methyl(phenyl)amino]-1<i>H</i>-isochromen-1-one","Acta Crystallographica Section C","2013","69","7","770","773","10.1107/S0108270113014777","","","0.71073","MoKα","","0.0913","0.0497","","","0.1049","0.125","","","","","","1.066","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019069","5.7551","0.0005","16.1579","0.0019","17.123","0.0019","90","","95.464","0.008","90","","1585","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dibenzylammonium hydrogen maleate","Dibenzylammonium (2<i>Z</i>)-3-carboxyprop-2-enoate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","YF3037","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Dibenzylammonium hydrogen maleate and a redetermination at 120K of bis(dibenzylamino)methane","Acta Crystallographica Section C","2013","69","7","798","802","10.1107/S010827011301651X","","","0.71073","MoKα","","0.0757","0.0461","","","0.0961","0.1099","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019070","25.548","0.006","12.9426","0.0016","18.555","0.003","90","","130.428","0.011","90","","4670.4","1.6","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Bis(dibenzylamino)methane","","- C29 H30 N2 -","- C29 H30 N2 -","- C232 H240 N16 -","8","1","YF3037","Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher","Dibenzylammonium hydrogen maleate and a redetermination at 120K of bis(dibenzylamino)methane","Acta Crystallographica Section C","2013","69","7","798","802","10.1107/S010827011301651X","","","0.71073","MoKα","","0.1054","0.0503","","","0.0979","0.1151","","","","","","1.013","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019071","8.3782","0.0006","18.1569","0.0019","14.7588","0.0015","90","","101.309","0.008","90","","2201.5","0.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","<i>catena</i>-Poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,4-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^4^]","","- C26 H16 N6 O4 Zn -","- C26 H16 N6 O4 Zn -","- C104 H64 N24 O16 Zn4 -","4","1","YP3033","Xiang, Jing","Two one-dimensional linear zinc(II) polymers: <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,4-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^4^] and <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]","Acta Crystallographica Section C","2013","69","7","750","753","10.1107/S0108270113016168","","","0.71073","MoKα","","0.0503","0.0392","","","0.0692","0.0739","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019072","11.066","0.003","9.708","0.002","21.717","0.006","90","","104.42","0.03","90","","2259.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]","","- C26 H16 N6 O4 Zn -","- C26 H16 N6 O4 Zn -","- C104 H64 N24 O16 Zn4 -","4","1","YP3033","Xiang, Jing","Two one-dimensional linear zinc(II) polymers: <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,4-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^4^] and <i>catena</i>-poly[[[2,6-bis(1<i>H</i>-benzimidazol-2-yl-κ<i>N</i>^3^)pyridine]zinc(II)]-μ-pyridine-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^]","Acta Crystallographica Section C","2013","69","7","750","753","10.1107/S0108270113016168","","","0.71073","MoKα","","0.114","0.0599","","","0.1016","0.1209","","","","","","1.023","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019073","7.4864","0.0015","8.1555","0.0016","14.136","0.003","78.47","0.03","74.99","0.03","71.43","0.03","783.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[bis(μ~3~-2-aminoacetato)di-μ-aqua-μ~3~-(naphthalene-1,5-\ disulfonato)-hexasilver(I)] dihydrate]","","- C18 H30 Ag6 N4 O18 S2 -","- C18 H30 Ag6 N4 O18 S2 -","- C18 H30 Ag6 N4 O18 S2 -","1","0.5","BG3160","Wu, Hua; Lü, Xiao-Li; Lü, Bo; Dong, Chang-Xun; Wu, Mei-Sheng","A novel three-dimensional Ag^I^ coordination polymer based on mixed naphthalene-1,5-disulfonate and aminoacetate ligands","Acta Crystallographica Section C","2013","69","8","876","879","10.1107/S0108270113019550","","","0.71073","MoKα","","0.031","0.0256","","","0.0649","0.0662","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019074","3.81686","0.00007","9.6064","0.0003","13.3605","0.0004","94.2974","0.0015","91.7433","0.0014","91.7169","0.0014","488.02","0.02","298","","298","","","","","","","","","4","P -1","-P 1","2","","Bis(2-aminopyridinium) fumarate‒fumaric acid (1/1)","","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","- C18 H20 N4 O8 -","1","0.5","CU3028","Dong, Shuichao; Tao, Yaqiu; Shen, Xiaodong; Pan, Zhigang","A new polymorph of bis(2-aminopyridinium) fumarate‒fumaric acid (1/1) from powder X-ray diffraction","Acta Crystallographica Section C","2013","69","8","896","900","10.1107/S0108270113017423","powder diffraction","","1.54056","CuKα1","","","","","","","","","","1.45","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019075","6.4621","0.0004","9.145","0.0005","20.2969","0.0012","90","","90","","90","","1199.46","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,7-Dideaza-2'-deoxy-6-nitronebularine","1-(2-Deoxy-β-<i>D</i>-<i>erythro</i>-pentofuranosyl)-4-nitro-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C48 H52 N12 O20 -","4","1","CU3032","Yang, Haozhe; Budow, Simone; Eickmeier, Henning; Reuter, Hans; Seela, Frank","1,7-Dideaza-2'-deoxy-6-nitronebularine: a pyrrolo[2,3-<i>b</i>]pyridine nucleoside with an intramolecular hydrogen bond stabilizing the <i>syn</i> conformation","Acta Crystallographica Section C","2013","69","8","892","895","10.1107/S0108270113016922","","","0.71073","MoKα","","0.0304","0.0291","","","0.0818","0.0835","","","","","","1.089","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019076","7.2966","0.0009","9.1081","0.0011","10.3723","0.0012","66.803","0.001","88.947","0.002","82.509","0.002","627.78","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3a-Phenyl-2,3,3a,4-tetrahydro-1<i>H</i>-benzo[<i>d</i>]pyrrolo[1,2-<i>a</i>]\ imidazol-1-one","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C32 H28 N4 O2 -","2","1","EG3127","Grinev, Vyacheslav S.; Egorova, Alevtina Yu.","3a-Phenyl-2,3,3a,4-tetrahydro-1<i>H</i>-benzo[<i>d</i>]pyrrolo[1,2-<i>a</i>]imidazol-1-one, a potential plant-growth regulator","Acta Crystallographica Section C","2013","69","8","880","883","10.1107/S0108270113016119","","","0.71073","MoKα","","0.0476","0.0456","","","0.1222","0.1246","","","","","","1.005","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019077","8.9252","0.0008","16.9606","0.0015","16.5461","0.0014","90","","103.35","0.001","90","","2437","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Acetato-κ<i>O</i>)[26,28-dioxa-3,7,15,19,25,27-hexaazahexacyclo[19.3.1.1^2,5^.1^9,13^.1^17,20^.0^3,8^]octacosa-1(25),9(27),10,12,14,21,23-heptaene-κ^5^<i>N</i>]copper(II) perchlorate","","- C22 H25 Cl Cu N6 O8 -","- C22 H25 Cl Cu N6 O8 -","- C88 H100 Cl4 Cu4 N24 O32 -","4","1","EG3130","Knapton, Matthew; McKee, Vickie","Triple ring contraction of a [2+2] macrocyclic ligand","Acta Crystallographica Section C","2013","69","8","837","840","10.1107/S010827011301768X","","","0.71073","MoKα","","0.0512","0.0408","","","0.109","0.1152","","","","","","1.057","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019078","15.9945","0.0007","6.7767","0.0003","9.502","0.0004","90","","104.795","0.002","90","","995.77","0.08","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","Poly[bis[μ~2~-3-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']lead(II)]","","- C24 H16 N2 O4 Pb -","- C24 H16 N2 O4 Pb -","- C48 H32 N4 O8 Pb2 -","2","0.5","FA3319","Guo, Yi-Ping; Wang, Hui; Li, Guo-Ting","Poly[bis[μ~2~-3-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']lead(II)]","Acta Crystallographica Section C","2013","69","8","872","875","10.1107/S0108270113019045","","","0.71073","MoKα","","0.0317","0.0315","","","0.0746","0.0747","","","","","","1.095","","","","has coordinates,has Fobs","211196","2020-10-21","18:00:00",""
"2019079","14.1821","0.0008","8.3971","0.0005","13.6799","0.0008","90","","90","","90","","1629.12","0.16","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","","- C6 H24 Co N6 S4 Sb -","- C6 H24 Co N6 S4 Sb -","- C24 H96 Co4 N24 S16 Sb4 -","4","1","FG3290","Wang, Ming-Feng; Yue, Cheng-Yang; Yuan, Zhuang-Dong; Lei, Xiao-Wu","Two polymorphs of tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","Acta Crystallographica Section C","2013","69","8","855","858","10.1107/S0108270113017277","","","0.71073","MoKα","","0.0232","0.0201","","","0.0368","0.0379","","","","","","1.028","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019080","15.4909","0.0011","15.4909","0.0011","13.6285","0.0009","90","","90","","90","","3270.4","0.4","296","2","296","2","","","","","","","","6","P 42 b c","P 4c -2ab","106","","Tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","","- C6 H24 Co N6 S4 Sb -","- C6 H24 Co N6 S4 Sb -","- C48 H192 Co8 N48 S32 Sb8 -","8","1","FG3290","Wang, Ming-Feng; Yue, Cheng-Yang; Yuan, Zhuang-Dong; Lei, Xiao-Wu","Two polymorphs of tris(ethylenediamine)cobalt(III) tetrathioantimonate(V)","Acta Crystallographica Section C","2013","69","8","855","858","10.1107/S0108270113017277","","","0.71073","MoKα","","0.0273","0.0212","","","0.0394","0.0452","","","","","","1.078","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019081","16.6917","0.0018","5.9748","0.0004","24.84","0.003","90","","91.841","0.01","90","","2476","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Benzyl-3-<i>tert</i>-butyl-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-spiro[pyrazolo[3,4-<i>b</i>]pyridine-5,2'-indan]-1',3'-dione","","- C31 H29 N3 O2 -","- C31 H29 N3 O2 -","- C124 H116 N12 O8 -","4","1","FG3298","Quiroga, Jairo; Pantoja, Dayana; Cobo, Justo; Glidewell, Christopher","Hydrogen-bonded bilayers in 7-benzyl-3-<i>tert</i>-butyl-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-spiro[pyrazolo[3,4-<i>b</i>]pyridine-5,2'-indan]-1',3'-dione","Acta Crystallographica Section C","2013","69","8","884","887","10.1107/S0108270113017435","","","0.71073","MoKα","","0.0814","0.0458","","","0.0968","0.1146","","","","","","1.041","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019082","18.2718","0.0012","3.9347","0.0003","29.0066","0.0019","90","","100.188","0.001","90","","2052.5","0.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[bis(μ-2,2'-bipyridin-6-olato)-κ^3^<i>N</i>,<i>N</i>':<i>O</i>;<i>O</i>:<i>N</i>,<i>N</i>'-dicopper(I,II) [[tetrafluoridoniobium(V)]-μ-oxido]]","","- C20 H14 Cu2 F4 N4 Nb O3 -","- C20 H14 Cu2 F4 N4 Nb O3 -","- C80 H56 Cu8 F16 N16 Nb4 O12 -","4","0.5","KU3104","Zhong, Zhi-Guo; Feng, Yu-Quan; Zhang, Ping","<i>catena</i>-Poly[bis(μ-2,2'-bipyridin-6-olato)-κ^3^<i>N</i>,<i>N</i>':<i>O</i>;<i>O</i>:<i>N</i>,<i>N</i>'-dicopper(I,II) [[tetrafluoridoniobium(V)]-μ-oxido]]","Acta Crystallographica Section C","2013","69","8","833","836","10.1107/S0108270113018064","","","0.71073","MoKα","","0.0217","0.0206","","","0.0572","0.0579","","","","","","1.067","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2019083","11.379","0.002","15.174","0.003","5.8453","0.0011","90","","101.447","0.003","90","","989.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis{2-[(phenylimino)ethyl]-1<i>H</i>-pyrrol-1-ido-\ κ^2^<i>N</i>,<i>N</i>'}nickel(II)","","- C24 H22 N4 Ni -","- C24 H22 N4 Ni -","- C48 H44 N8 Ni2 -","2","0.5","LG3114","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","Bis{2-[(phenylimino)ethyl]-1<i>H</i>-pyrrol-1-ido-κ^2^<i>N</i>,<i>N</i>'}nickel(II): a supramolecular structure formed by C—H···π hydrogen bonds","Acta Crystallographica Section C","2013","69","8","851","854","10.1107/S0108270113018118","","","0.71073","MoKα","","0.0651","0.0434","","","0.0805","0.088","","","","","","1.031","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019084","5.2113","0.001","20.355","0.004","6.7616","0.0013","90","","109.045","0.002","90","","678","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[μ~7~-sulfanediyldiacetato-disilver(I)]","","- C4 H4 Ag2 O4 S -","- C4 H4 Ag2 O4 S -","- C16 H16 Ag8 O16 S4 -","4","1","QS3025","Hao, Xiao-Min; Chen, Gang; Gu, Chang-Sheng; Liu, Ji-Wei","Poly[μ~7~-sulfanediyldiacetato-disilver(I)]","Acta Crystallographica Section C","2013","69","8","826","828","10.1107/S0108270113017319","","","0.71073","MoKα","","0.0402","0.039","","","0.1188","0.1201","","","","","","1.088","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019085","18.335","0.007","18.335","0.007","5.141","0.002","90","","90","","90","","1728.3","1.2","105","2","105","2","","","","","","","","4","I 4","I 4","79","Abu-Ser, N-(L-2-aminobutyryl)-L-serine","(<i>S</i>)-2-[(<i>S</i>)-2-Azaniumylbutanamido]-3-hydroxypropanoate","","- C7 H14 N2 O4 -","- C7 H14 N2 O4 -","- C56 H112 N16 O32 -","8","1","QS3026","Görbitz, Carl Henrik; Yadav, Vitthal N.","An unexpected tetragonal unit cell for <i>N</i>-(<small>L</small>-2-aminobutyryl)-<small>L</small>-serine","Acta Crystallographica Section C","2013","69","8","888","891","10.1107/S0108270113017484","","","0.71073","MoKα","","0.0863","0.08","","","0.1922","0.195","","","","","","1.301","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019086","11.355","0.002","20.025","0.004","10.4124","0.0008","90","","110.03","0.009","90","","2224.4","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl (1<i>RS</i>,3<i>SR</i>,3a<i>RS</i>,6a<i>SR</i>)-1-methyl-3-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylate","","- C25 H24 N4 O4 -","- C25 H24 N4 O4 -","- C100 H96 N16 O16 -","4","1","SF3204","Quiroga, Jairo; Gálvez, Jaime; Cobo, Justo; Glidewell, Christopher","Two methyl 3-(1<i>H</i>-pyrazol-4-yl)octahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylates form different hydrogen-bonded sheets","Acta Crystallographica Section C","2013","69","8","915","919","10.1107/S0108270113017563","","","0.71073","MoKα","","0.09","0.0502","","","0.1134","0.136","","","","","","1.063","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019087","16.565","0.003","6.9529","0.0005","21.01","0.004","90","","110.465","0.011","90","","2267.1","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl (1<i>RS</i>,3<i>SR</i>,3a<i>RS</i>,6a<i>SR</i>)-5-(4-chlorophenyl)-1-methyl-3-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-4,6-dioxooctahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylate","","- C25 H23 Cl N4 O4 -","- C25 H23 Cl N4 O4 -","- C100 H92 Cl4 N16 O16 -","4","1","SF3204","Quiroga, Jairo; Gálvez, Jaime; Cobo, Justo; Glidewell, Christopher","Two methyl 3-(1<i>H</i>-pyrazol-4-yl)octahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylates form different hydrogen-bonded sheets","Acta Crystallographica Section C","2013","69","8","915","919","10.1107/S0108270113017563","","","0.71073","MoKα","","0.1161","0.0536","","","0.0931","0.1144","","","","","","1.036","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019088","14.374","0.003","15.875","0.003","17.235","0.003","90","","94.019","0.004","90","","3923.1","1.3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[2-(Aminomethyl)pyridine-κ^2^<i>N</i>,<i>N</i>'][chlorido/trifluoromethanesulfonato(0.91/0.09)][(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine-κ<i>N</i>](triphenylphosphane-κ<i>P</i>)ruthenium(II) trifluoromethanesulfonate dichloromethane 0.91-solvate,","","- C41 H37.83 Cl2.74 F3.26 N3 O3.26 P Ru S1.09 -","- C41 H37.828 Cl2.742 F3.258 N3 O3.258 P Ru S1.086 -","- C164 H151.312 Cl10.968 F13.032 N12 O13.032 P4 Ru4 S4.344 -","4","1","SF3205","Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael E.","A mixed chloride/trifluoromethanesulfonate ligand species in a ruthenium(II) complex","Acta Crystallographica Section C","2013","69","8","859","861","10.1107/S0108270113019057","","","0.71073","MoKα","","0.0521","0.0342","","","0.0746","0.0816","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019089","6.483","0.007","21.36","0.03","17.56","0.02","90","","90.96","0.03","90","","2431","5","100","2","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-2-(2-(hydrazinyl)quinoxaline","","- C15 H12 N4 -","- C15 H12 N4 -","- C120 H96 N32 -","8","2","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.2197","0.1491","","","0.3226","0.3704","","","","","","1.207","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019090","6.687","0.0007","7.2591","0.0008","13.815","0.0016","77.957","0.006","77.357","0.006","75.56","0.005","625.19","0.12","100","2","100","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-(2-(2-chlorobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Cl N4 -","- C15 H11 Cl N4 -","- C30 H22 Cl2 N8 -","2","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.1123","0.1076","","","0.3071","0.3089","","","","","","1.179","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019091","32.14","0.05","6.882","0.009","12.45","0.018","90","","108.43","0.03","90","","2613","7","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-(2-(3-chlorobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Cl N4 -","- C15 H11 Cl N4 -","- C120 H88 Cl8 N32 -","8","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.069","0.0657","","","0.1341","0.1356","","","","","","1.145","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019092","11.6658","0.0006","10.0515","0.0005","11.7575","0.0008","90","","104.818","0.007","90","","1332.82","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(2-(4-chlorobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Cl N4 -","- C15 H11 Cl N4 -","- C60 H44 Cl4 N16 -","4","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0373","0.0321","","","0.0827","0.0856","","","","","","1.069","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019093","6.9712","0.001","12.637","0.0017","30.182","0.004","90","","90","","90","","2658.9","0.6","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-2-(2-(2-bromobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Br N4 -","- C15 H11 Br N4 -","- C120 H88 Br8 N32 -","8","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0424","0.0373","","","0.0847","0.0878","","","","","","1.087","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019094","32.781","0.017","6.875","0.003","12.466","0.006","90","","109.096","0.011","90","","2655","2","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2-(2-(3-bromobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Br N4 -","- C15 H11 Br N4 -","- C120 H88 Br8 N32 -","8","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0495","0.0476","","","0.0948","0.0957","","","","","","1.157","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019095","12.002","0.005","9.17","0.003","12.617","0.005","90","","100.004","0.006","90","","1367.5","0.9","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-(2-(4-bromobenzylidene)hydrazinyl)quinoxaline","","- C15 H11 Br N4 -","- C15 H11 Br N4 -","- C60 H44 Br4 N16 -","4","1","SK3488","Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C.","Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues","Acta Crystallographica Section C","2013","69","8","920","926","10.1107/S0108270113015370","","","0.71075","MoKα","","0.0658","0.0622","","","0.111","0.1126","","","","","","1.17","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019096","5.53651","0.00011","8.1058","0.0003","9.1108","0.0002","98.086","0.002","102.085","0.0016","101.499","0.0019","384.624","0.019","298","","298","","","","","","","","","6","P -1","-P 1","2","","Poly[[μ-(1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonato)]sodium]","","- C2 H8 N Na O6 P2 -","- C2 H8 N Na O6 P2 -","- C4 H16 N2 Na2 O12 P4 -","2","1","SK3495","Rukiah, Mwaffak; Assaad, Thaer","Poly[[μ-(1-azaniumylethane-1,1-diyl)bis(hydrogen phosphonato)]sodium]: a powder X-ray diffraction study","Acta Crystallographica Section C","2013","69","8","815","818","10.1107/S0108270113016491","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.38","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019097","11.1132","0.0004","5.4109","0.0002","13.1888","0.0005","90","","106.37","0.002","90","","760.92","0.05","160","2","160","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II)","","- C18 H16 N2 O4 Zn -","- C18 H16 N2 O4 Zn -","- C36 H32 N4 O8 Zn2 -","2","0.5","SK3496","Varelas, Georgios; Salifoglou, Athanasios; Psycharis, Vassilis","Psuedosymmetry and pseudomerodry or nonmerohedral twinning for the known structure of diaquabis(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)zinc(II)","Acta Crystallographica Section C","2013","69","8","868","871","10.1107/S0108270113018386","","","1.54178","CuKα","","0.0392","0.0338","","","0.0885","0.0912","","","","","","1.147","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019098","7.7417","0.0002","10.8543","0.0003","12.5527","0.0003","109.463","0.001","90.615","0.001","101.884","0.001","969.62","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ~6~-3-(3,5-dicarboxylatobenzyloxy)benzoato](dimethylformamide)-μ-hydroxido-dizinc(II)]","","- C19 H17 N O9 Zn2 -","- C19 H17 N O9 Zn2 -","- C38 H34 N2 O18 Zn4 -","2","1","SK3498","Patra, Ranjan; Goldberg, Israel","A three-dimensional coordination polymer of 3-(3,5-dicarboxybenzyloxy)benzoic acid with zinc","Acta Crystallographica Section C","2013","69","8","819","821","10.1107/S0108270113017204","","","0.71073","MoKα","","0.0383","0.0271","","","0.0543","0.0568","","","","","","0.918","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019099","3.8393","0.0001","18.3309","0.0004","16.4738","0.0004","90","","96.212","0.002","90","","1152.58","0.05","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{[(4-Carboxy-3-hydroxyphenyl)iminiumyl]methyl}phenolate","","- C14 H11 N O4 -","- C14 H11 N O4 -","- C56 H44 N4 O16 -","4","1","SK3499","Júnior, Anderson A. B. C.; De Carvalho, Gustavo S. G.; Marques, Lippy F.; Corrêa, Charlane C.; Da Silva, Adilson D.; Machado, Flávia C.","The zwitterionic structure of 2-hydroxy-4-[(2-hydroxybenzylidene)amino]benzoic acid","Acta Crystallographica Section C","2013","69","8","934","936","10.1107/S0108270113018143","","","0.71073","MoKα","","0.0445","0.037","","","0.1034","0.1118","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019100","8.9867","0.0018","20.669","0.004","14.856","0.003","90","","93.545","0.004","90","","2754.2","0.9","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Methoxyphenyl)-4-oxo-4<i>H</i>-chromone-3-carboxamide","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C136 H104 N8 O32 -","8","2","SK3500","Gomes, Ligia R.; Low, John Nicolson; Borges, Fernanda; Cagide, Fernando","Two polymorphs of <i>N</i>-(2-methoxyphenyl)-4-oxo-4<i>H</i>-chromone-3-carboxamide","Acta Crystallographica Section C","2013","69","8","927","933","10.1107/S0108270113017538","","","0.71075","MoKα","","0.0574","0.0508","","","0.1135","0.1186","","","","","","1.085","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019101","14.614","0.013","23.95","0.02","8.125","0.007","90","","102.069","0.017","90","","2781","4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Methoxyphenyl)-4-oxo-4<i>H</i>-chromone-3-carboxamide","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C136 H104 N8 O32 -","8","2","SK3500","Gomes, Ligia R.; Low, John Nicolson; Borges, Fernanda; Cagide, Fernando","Two polymorphs of <i>N</i>-(2-methoxyphenyl)-4-oxo-4<i>H</i>-chromone-3-carboxamide","Acta Crystallographica Section C","2013","69","8","927","933","10.1107/S0108270113017538","","","0.71075","MoKα","","0.1177","0.0891","","","0.1471","0.1605","","","","","","1.187","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019102","8.46","0.005","9.162","0.005","15.506","0.005","90","","98.097","0.005","90","","1189.9","1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(perchlorato-κ<i>O</i>)copper(II)","","- C16 H36 Cl2 Cu N4 O8 -","- C16 H36 Cl2 Cu N4 O8 -","- C32 H72 Cl4 Cu2 N8 O16 -","2","0.5","SK3501","Yasmin, Sabina; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Three transition-metal complexes with the macrocyclic ligand <i>meso</i>-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (<i>L</i>): [Cu(ClO~4~)~2~(<i>L</i>)], [Zn(NO~3~)~2~(<i>L</i>)] and [CuCl(<i>L</i>)(H~2~O)]Cl","Acta Crystallographica Section C","2013","69","8","862","867","10.1107/S0108270113018465","","","0.71069","MoKα","","0.0655","0.0433","","","0.1071","0.1214","","","","","","1.075","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019103","12.9252","0.0009","11.7664","0.0005","15.5628","0.001","90","","113.352","0.008","90","","2173","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>meso</i>-5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)bis(nitrato-κ<i>O</i>)zinc(II)","","- C16 H36 N6 O6 Zn -","- C16 H36 N6 O6 Zn -","- C64 H144 N24 O24 Zn4 -","4","0.5","SK3501","Yasmin, Sabina; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Three transition-metal complexes with the macrocyclic ligand <i>meso</i>-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (<i>L</i>): [Cu(ClO~4~)~2~(<i>L</i>)], [Zn(NO~3~)~2~(<i>L</i>)] and [CuCl(<i>L</i>)(H~2~O)]Cl","Acta Crystallographica Section C","2013","69","8","862","867","10.1107/S0108270113018465","","","0.71073","MoKα","","0.0783","0.0479","","","0.1086","0.1274","","","","","","1.04","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019104","14.035","0.0004","11.6288","0.0002","13.8132","0.0004","90","","111.255","0.003","90","","2101.1","0.1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquachlorido(<i>meso</i>-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)copper(II) chloride","","- C16 H38 Cl2 Cu N4 O -","- C16 H38 Cl2 Cu N4 O -","- C64 H152 Cl8 Cu4 N16 O4 -","4","1","SK3501","Yasmin, Sabina; Suarez, Sebastián; Doctorovich, Fabio; Roy, Tapashi G.; Baggio, Ricardo","Three transition-metal complexes with the macrocyclic ligand <i>meso</i>-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (<i>L</i>): [Cu(ClO~4~)~2~(<i>L</i>)], [Zn(NO~3~)~2~(<i>L</i>)] and [CuCl(<i>L</i>)(H~2~O)]Cl","Acta Crystallographica Section C","2013","69","8","862","867","10.1107/S0108270113018465","","","0.71073","MoKα","","0.0539","0.0385","","","0.0888","0.0976","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019105","10.0424","0.0002","42.9871","0.0011","7.493","0.0002","90","","90","","90","","3234.68","0.14","296","2","296","2","","","","","","","","4","I b a 2","I 2 -2c","45","","Bis(2-aminoanilinium) fumarate","","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","- C128 H160 N32 O32 -","8","1","UK3068","Sathya, D.; Jagan, R.; Padmavathy, R.; Kumar, R. Mohan; Sivakumar, K.","N—H···O, O—H···O hydrogen-bonded supramolecular sheet formation in the bis(2-aminoanilinium) fumarate, 3-methylanilinium hydrogen fumarate and 4-chloroanilinium hydrogen fumarate salts","Acta Crystallographica Section C","2013","69","8","904","909","10.1107/S0108270113017629","","","0.71073","MoKα","","0.0626","0.0493","","","0.1281","0.1403","","","","","","1.045","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019106","9.4576","0.0003","20.8915","0.0006","10.8787","0.0003","90","","92.611","0.002","90","","2147.22","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Methylanilinium hydrogen fumarate","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C88 H104 N8 O32 -","8","2","UK3068","Sathya, D.; Jagan, R.; Padmavathy, R.; Kumar, R. Mohan; Sivakumar, K.","N—H···O, O—H···O hydrogen-bonded supramolecular sheet formation in the bis(2-aminoanilinium) fumarate, 3-methylanilinium hydrogen fumarate and 4-chloroanilinium hydrogen fumarate salts","Acta Crystallographica Section C","2013","69","8","904","909","10.1107/S0108270113017629","","","0.71073","MoKα","","0.0627","0.0439","","","0.1182","0.1303","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019107","9.2335","0.0004","23.8248","0.0011","10.4424","0.0005","90","","94.338","0.002","90","","2290.6","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chloroanilinium hydrogen fumarate","","- C10 H10 Cl N O4 -","- C10 H10 Cl N O4 -","- C80 H80 Cl8 N8 O32 -","8","2","UK3068","Sathya, D.; Jagan, R.; Padmavathy, R.; Kumar, R. Mohan; Sivakumar, K.","N—H···O, O—H···O hydrogen-bonded supramolecular sheet formation in the bis(2-aminoanilinium) fumarate, 3-methylanilinium hydrogen fumarate and 4-chloroanilinium hydrogen fumarate salts","Acta Crystallographica Section C","2013","69","8","904","909","10.1107/S0108270113017629","","","0.71073","MoKα","","0.0652","0.0425","","","0.1085","0.1224","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019108","10.6408","0.0005","15.8571","0.0004","24.8678","0.0009","90","","93.534","0.004","90","","4188","0.3","289","2","289","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","<i>N</i>-<i>tert</i>-Butyl-<i>N</i>'-[5-cyano-2-(4-methylphenoxy)phenylsulfonyl]urea","","- C19 H21 N3 O4 S -","- C19 H21 N3 O4 S -","- C152 H168 N24 O32 S8 -","8","2","UK3071","Bambi-Nyanguile, Sylvie-Mireille; Mangwala Kimpende, Peter; Pirotte, Bernard; Van Meervelt, Luc","<i>N</i>-<i>tert</i>-Butyl-<i>N</i>'-[5-cyano-2-(4-methylphenoxy)phenylsulfonyl]urea, a new TXA~2~ receptor antagonist","Acta Crystallographica Section C","2013","69","8","901","903","10.1107/S010827011301771X","","","0.71073","MoKα","","0.0989","0.0733","","","0.1633","0.1742","","","","","","1.062","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019109","10.3408","0.0005","6.8658","0.0003","30.066","0.0017","90","","97.743","0.005","90","","2115.16","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dirubidium hexaaquacobalt(II) tetrakis(hydrogen phthalate) tetrahydrate","","- C32 H40 Co O26 Rb2 -","- C32 H40 Co O26 Rb2 -","- C64 H80 Co2 O52 Rb4 -","2","0.5","WQ3035","Poleti, Dejan; Rogan, Jelena","Dirubidium hexaaquacobalt(II) tetrakis(hydrogen phthalate) tetrahydrate and coordination modes of the hydrogen phthalate anion","Acta Crystallographica Section C","2013","69","8","841","846","10.1107/S0108270113016788","","","0.71073","MoKα","","0.083","0.0563","","","0.1043","0.1151","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019110","12.879","0.003","13.485","0.003","21.364","0.004","79.74","0.03","86.82","0.03","68.92","0.03","3406.5","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis{tris[(1<i>H</i>-benzimidazol-3-ium-2-yl)methyl]amime} tetraaquaocta-μ~2~-chlorido-octachloridopentacadmate(II) monohydrate","","- C48 H58 Cd5 Cl16 N14 O5 -","- C48 H58 Cd5 Cl16 N14 O5 -","- C96 H116 Cd10 Cl32 N28 O10 -","2","1","WQ3037","Yu, Chun-Hua; Zhu, Run-Qiang; Jin, Yu; Liu, Ming-Liang; Jin, Lei","Bis{tris[(1<i>H</i>-benzimidazol-3-ium-2-yl)methyl]amine} tetraaquaocta-μ~2~-chlorido-octachloridopentacadmate(II) monohydrate","Acta Crystallographica Section C","2013","69","8","811","814","10.1107/S0108270113016557","","","0.71073","MoKα","","0.052","0.0395","","","0.072","0.0759","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019111","15.6531","0.0017","8.7619","0.0009","17.4895","0.0018","90","","106.316","0.005","90","","2302.1","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(η^6^-<i>p</i>-Cymene)(difluorophosphinato-κ<i>O</i>){2-[(<i>1</i>H-pyrazol-1-yl-κ<i>N</i>^2^)methyl]pyridine-κ<i>N</i>}ruthenium(II) hexafluorophosphate tetrafluoroborate (1/0.86/0.14)","","- C19 H23 B0.15 F7.71 N3 O2 P1.85 Ru -","- C19 H23 B0.146 F7.708 N3 O2 P1.854 Ru -","- C76 H92 B0.584 F30.832 N12 O8 P7.416 Ru4 -","4","1","WQ3041","Guzei, Ilia A.; Dolinar, Brian S.; Khumalo, Nozipho; Darkwa, James","Positional and compositional disorder in a ruthenium(II) piano-stool complex","Acta Crystallographica Section C","2013","69","8","847","850","10.1107/S0108270113017605","","","1.54178","CuKα","","0.0279","0.0236","","","0.0548","0.0566","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019112","7.4502","0.0015","16.337","0.003","30.484","0.006","90","","90","","90","","3710.3","1.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[cadmium(II)-di-μ-chlorido-μ-(4-azonia-1-azabicyclo[2.2.2]octane-1-carboxylato)] [aquadi-μ-chlorido-chloridocadmium(II)] dihydrate]","","- C8 H21 Cd2 Cl5 N2 O5 -","- C8 H21 Cd2 Cl5 N2 O5 -","- C64 H168 Cd16 Cl40 N16 O40 -","8","1","YF3038","Liao, Wei-Qiang; Zhang, Yi","A novel cadmium(II) coordination polymer containing two kinds of independent one-dimensional chain","Acta Crystallographica Section C","2013","69","8","829","832","10.1107/S0108270113017368","","","0.71073","MoKα","","0.0736","0.0461","","","0.0897","0.0987","","","","","","1.084","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019113","7.9422","0.0004","22.0793","0.0011","15.5923","0.0007","90","","96.281","0.004","90","","2717.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aqua(nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ<i>O</i>){4'-[4-(pyrimidin-5-yl)phenyl]-2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}cadmium(II) dihydrate","","- C25 H23 Cd N7 O9 -","- C25 H19 Cd N7 O9 -","- C100 H76 Cd4 N28 O36 -","4","1","YF3039","Granifo, Juan; Gaviño, Rubén; Freire, Eleonora; Baggio, Ricardo","The supramolecular structure of a cadmium complex with the new functionalized terpyridine ligand 4'-[4-(pyrimidin-5-yl)phenyl]-2,2':6',2''-terpyridine (<i>L</i>1): aqua(<i>L</i>1-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')(nitrato-κ^2^<i>O</i>,<i>O</i>')(nitrato-κ<i>O</i>)cadmium(II) dihydrate","Acta Crystallographica Section C","2013","69","8","822","825","10.1107/S0108270113017356","","","0.71073","MoKα","","0.1279","0.059","","","0.1122","0.1418","","","","","","1.004","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019114","16.9049","0.0007","7.4168","0.0003","11.7545","0.0005","90","","102.869","0.002","90","","1436.76","0.1","173.2","0.2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","JFB1514","Methyl (1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","QS3027","Bacsa, John; Briones, John","Determination of the electron density in methyl (±)-(1<i>S</i>,2<i>S</i>,3<i>R</i>)-2-methyl-1,3-diphenylcyclopropanecarboxylate using refinements with X-ray scattering factors from wavefunction calculations of the whole molecule","Acta Crystallographica, Section C","2013","69","8","910","914","10.1107/S0108270113017496","","","0.71073","MoKα","","0.053","0.03","","","","0.027","","","","","","1.597","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019115","13.013","0.003","10.265","0.002","9.892","0.002","90","","110.448","0.004","90","","1238.1","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","CU3033","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","3,4-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline and the 1-(1-thiophen-2-yl) analogue","Acta Crystallographica Section C","2013","69","9","1073","1076","10.1107/S0108270113022142","","","0.71073","MoKα","","0.1157","0.0561","","","0.1501","0.1894","","","","","","0.958","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019116","11.1481","0.0015","13.1309","0.0018","17.839","0.002","90","","94.474","0.003","90","","2603.4","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,4-Dimethyl-<i>N</i>-[1-(1-thiophen-2-yl)ethylidene]aniline","","- C14 H15 N S -","- C14 H15 N S -","- C112 H120 N8 S8 -","8","1","CU3033","Su, Bi-Yun; Wang, Jia-Xiang; Liu, Xiang; Li, Qian-Ding","3,4-Dimethyl-<i>N</i>-[1-(1<i>H</i>-pyrrol-2-yl)ethylidene]aniline and the 1-(1-thiophen-2-yl) analogue","Acta Crystallographica Section C","2013","69","9","1073","1076","10.1107/S0108270113022142","","","0.71073","MoKα","","0.0699","0.0481","","","0.1455","0.1727","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019117","12.0523","0.0008","28.1562","0.0019","14.5558","0.001","90","","90.022","0.003","90","","4939.5","0.6","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(3<i>S</i>,3a<i>S</i>,5<i>R</i>,6<i>R</i>,6a<i>S</i>)-5-[methoxy(methyl)amino]-3,6-bis[(triethylsilyl)oxy]-hexahydrofuro[3,2-<i>b</i>]furan-2-one","","- C20 H41 N O6 Si2 -","- C20 H41 N O6 Si2 -","- C160 H328 N8 O48 Si16 -","8","4","EB5024","Schombs, Matthew W.; Davis, Ryan A.; Fettinger, James C.; Gervay-Hague, Jacquelyn","A fused [3.3.0]-neoglycoside lactone derived from glucuronic acid","Acta Crystallographica Section C","2013","69","9","1062","1066","10.1107/S0108270113013723","","","1.54178","CuKα","","0.047","0.0465","","","0.1158","0.1164","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019118","30.2283","0.0004","30.2283","0.0004","14.3753","0.0003","90","","90","","90","","13135.4","0.4","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","[Tris(3-anilinocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]thallium(I)","","- C33 H31 B N9 O3 Tl -","- C33 H31 B N9 O3 Tl -","- C528 H496 B16 N144 O48 Tl16 -","16","1","EG3122","Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.","Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands","Acta Crystallographica Section C","2013","69","9","947","953","10.1107/S0108270113015898","","","1.54178","CuKα","","0.033","0.0258","","","0.0652","0.0694","","","","","","1.024","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019119","11.6038","0.0005","12.7036","0.0006","23.0839","0.001","90","","95.201","0.0008","90","","3388.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Tris(3-<i>tert</i>-butylaminocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]thallium(I)","","- C27 H43 B N9 O3 Tl -","- C27 H43 B N9 O3 Tl -","- C108 H172 B4 N36 O12 Tl4 -","4","1","EG3122","Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.","Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands","Acta Crystallographica Section C","2013","69","9","947","953","10.1107/S0108270113015898","","","0.71073","MoKα","","0.0823","0.0384","","","0.0576","0.0676","","","","","","1.01","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019120","13.131","0.0015","19.404","0.002","19.771","0.002","97.84","0.002","107.809","0.002","97.599","0.002","4669.8","0.9","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","Carbonyl[tris(3-anilinocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]copper(I) tetrahydrofuran trisolvate","","- C46 H55 B Cu N9 O7 -","- C46 H55 B Cu N9 O7 -","- C184 H220 B4 Cu4 N36 O28 -","4","2","EG3122","Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.","Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands","Acta Crystallographica Section C","2013","69","9","947","953","10.1107/S0108270113015898","","","0.71073","MoKα","","0.1026","0.0535","","","0.1214","0.1442","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019121","15.1972","0.0011","15.787","0.0011","34.902","0.003","90","","90","","90","","8373.6","1.1","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Carbonyl[tris(3-<i>tert</i>-butylaminocarbonyl-5-methylpyrazol-1-yl-κ<i>N</i>^2^)borato]copper(I) tetrahydrofuran hemisolvate","","- C30 H47 B Cu N9 O4.5 -","- C30 H47 B Cu N9 O4.5 -","- C240 H376 B8 Cu8 N72 O36 -","8","2","EG3122","Sirianni, Eric R.; Yap, Glenn P. A.; Akturk, Eser S.; Theopold, Klaus H.","Improved syntheses, and structural and electronic characterization of carboxamide-substituted Tp^CONHPh,Me^ and Tp^CONH<i>t^-Bu,Me</i> ligands","Acta Crystallographica Section C","2013","69","9","947","953","10.1107/S0108270113015898","","","0.71073","MoKα","","0.0765","0.0499","","","0.1223","0.1351","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2019122","8.9432","0.0018","9.8441","0.0018","14.47","0.003","90","","103.632","0.004","90","","1238","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[diaquatetra-μ~4~-iminodiacetato-copper(II)sodium(I)]","","- C16 H24 Cu3 N4 Na2 O18 -","- C16 H24 Cu3 N4 Na2 O18 -","- C32 H48 Cu6 N8 Na4 O36 -","2","0.5","EG3129","Wang, Yu-Hong; Song, Rui-Feng; Jiang, Fan","A three-dimensional Cu‒Na heteronuclear coordination polymer based on iminodiacetic acid","Acta Crystallographica Section C","2013","69","9","1026","1029","10.1107/S0108270113022075","","","0.71075","MoKα","","0.0393","0.0306","","","0.0693","0.0728","","","","","","1.077","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019123","12.5489","0.0004","16.456","0.0005","20.9643","0.0006","90","","90","","90","","4329.2","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[Anilino(diphenylphosphoryl)methyl]phenol","","- C25 H22 N O2 P -","- C25 H22 N O2 P -","- C200 H176 N8 O16 P8 -","8","1","EG3131","Wu, Ming-Shu; Feng, Qing-Qin; Li, Gao-Nan; Wan, De-Hui","2-[Anilino(diphenylphosphoryl)methyl]phenol from a three-component Kabachnik‒Fields reaction","Acta Crystallographica Section C","2013","69","9","1070","1072","10.1107/S0108270113022087","","","0.71073","MoKα","","0.0817","0.0476","","","0.1061","0.1215","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019124","5.6223","0.0009","8.2012","0.0012","33.573","0.005","90","","90","","90","","1548","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","L-Norvalyl-L-phenylalanine","(<i>S</i>)-2-[(<i>S</i>)-2-Aminopentanamido]-3-phenylpropanoic acid dihydrate","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C56 H96 N8 O20 -","4","1","EG3133","Görbitz, Carl Henrik; Yadav, Vitthal N.","<i>N</i>-(<small>L</small>-2-Aminopentanoyl)-<small>L</small>-phenylalanine dihydrate, a hydrophobic dipeptide with a nonproteinogenic residue","Acta Crystallographica Section C","2013","69","9","1067","1069","10.1107/S0108270113021914","","","0.71073","MoKα","","0.0919","0.0697","","","0.1158","0.125","","","","","","1.105","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019125","8.1171","0.0002","11.4659","0.0002","18.134","0.0004","84.99","0.002","80.12","0.002","76.538","0.002","1615.04","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iodidocopper(II)","","- C15 H15 Cu I N2 O2 -","- C15 H15 Cu I N2 O2 -","- C60 H60 Cu4 I4 N8 O8 -","4","2","FG3291","Diniz, Lorrane; Carvalho, Sandra; Borges, Ruth H. U.; Rodrigues, Bernardo L.","(Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')iodidocopper(II): a compound with two molecules in the asymmetric unit due to different π‒π interactions","Acta Crystallographica Section C","2013","69","9","1010","1012","10.1107/S0108270113018350","","","0.71073","MoKα","","0.0511","0.0312","","","0.0593","0.0675","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019126","41.357","0.002","3.9369","0.0003","11.4761","0.0005","90","","90","","90","","1868.52","0.19","200","1","200","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","5-(4-Bromophenyl)-1,3,4-thiadiazol-2-amine‒2-(naphthalen-2-yloxy)acetic acid (1/1)","","- C20 H16 Br N3 O3 S -","- C20 H16 Br N3 O3 S -","- C80 H64 Br4 N12 O12 S4 -","4","1","FG3301","Smith, Graham; Lynch, Daniel E.","Molecular cocrystals of 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine: hydrogen bonding in the structures of the 1:1 adduct with 2-(naphthalen-2-yloxy)acetic acid and the salt with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2013","69","9","1034","1038","10.1107/S0108270113019665","","","0.71073","MoKα","","0.0675","0.0556","","","0.0837","0.088","","","","","","1.1","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019127","7.5815","0.0006","7.6164","0.0007","29.846","0.002","90","","91.444","0.007","90","","1722.9","0.2","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-(4-bromophenyl)-1,2,4-thiadiazol-3-ium 3,5-dinitrobenzoate","","- C15 H10 Br N5 O6 S -","- C15 H10 Br N5 O6 S -","- C60 H40 Br4 N20 O24 S4 -","4","1","FG3301","Smith, Graham; Lynch, Daniel E.","Molecular cocrystals of 5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine: hydrogen bonding in the structures of the 1:1 adduct with 2-(naphthalen-2-yloxy)acetic acid and the salt with 3,5-dinitrobenzoic acid","Acta Crystallographica Section C","2013","69","9","1034","1038","10.1107/S0108270113019665","","","0.71073","MoKα","","0.0662","0.0463","","","0.0888","0.0969","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019128","14.0594","0.0003","17.1924","0.0003","11.474","0.0002","90","","98.146","0.0007","90","","2745.45","0.09","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(pyridine-3-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) dimethylformamide sesquisolvate","","- C60.5 H42.5 I4 N7.5 O5.5 Sn -","- C56 H32 I4 N6 O4 Sn -","- C112 H64 I8 N12 O8 Sn2 -","2","0.5","FG3302","Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Intermolecular iodine‒iodine interactions in bis(pyridine-3-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) and bis(pyrimidine-5-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV)","Acta Crystallographica Section C","2013","69","9","1013","1016","10.1107/S0108270113020209","","","0.71073","MoKα","","0.0565","0.0399","","","0.1037","0.1098","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019129","14.0712","0.0002","17.2283","0.0003","11.3198","0.0002","90","","98.742","0.001","90","","2712.3","0.08","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(pyrimidine-5-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) dimethylformamide sesquisolvate","","- C58.5 H40.5 I4 N9.5 O5.5 Sn -","- C54 H30 I4 N8 O4 Sn -","- C108 H60 I8 N16 O8 Sn2 -","2","0.5","FG3302","Titi, Hatem M.; Patra, Ranjan; Goldberg, Israel","Intermolecular iodine‒iodine interactions in bis(pyridine-3-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) and bis(pyrimidine-5-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV)","Acta Crystallographica Section C","2013","69","9","1013","1016","10.1107/S0108270113020209","","","0.71073","MoKα","","0.042","0.0309","","","0.0657","0.0687","","","","","","1.052","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019130","10.9499","0.0009","13.4234","0.0012","16.8469","0.0015","90","","94.593","0.002","90","","2468.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>N</i>,<i>N</i>-Diethyldithiocarbamato)[tris(3,5-dimethylpyrazol-1-yl)hydroborato]copper(II)","","- C20 H32 B Cu N7 S2 -","- C20 H32 B Cu N7 S2 -","- C80 H128 B4 Cu4 N28 S8 -","4","1","FG3303","Cañada, Louise Marie C.; Yap, Glenn P. A.; Lim, Patrick John Y.","(<i>N</i>,<i>N</i>-Diethyldithiocarbamato)[tris(3,5-dimethylpyrazol-1-yl)hydroborato]copper(II): a new copper(II) dithiocarbamate compound with the classic Tp^Me~2~^ scorpionate","Acta Crystallographica Section C","2013","69","9","977","980","10.1107/S0108270113020192","","","0.71073","MoKα","","0.0488","0.0373","","","0.0977","0.1053","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019131","8.9763","0.0009","7.4575","0.0007","11.0026","0.0011","90","","97.406","0.002","90","","730.38","0.12","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Methyl 4-<i>O</i>-β-<i>D</i>-xylopyranosyl β-<i>D</i>-mannopyranoside","","- C12 H22 O10 -","- C12 H22 O10 -","- C24 H44 O20 -","2","1","FN3140","Zhang, Wenhui; Oliver, Allen G.; Vu, Henry M.; Duman, John G.; Serianni, Anthony S.","Methyl 4-<i>O</i>-β-<small>D</small>-xylopyranosyl β-<small>D</small>-mannopyranoside, a core disaccharide of an antifreeze glycolipid","Acta Crystallographica Section C","2013","69","9","1047","1050","10.1107/S0108270113019021","","","1.54184","CuKα","","0.0264","0.0261","","","0.0687","0.0688","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019132","11.3216","0.001","11.3216","0.0017","9.6946","0.0018","90","","90","","120","","1076.2","0.3","295","2","295","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","sodium tetragermanate","Disodium tetragermanate","","- Ge4 Na2 O9 -","- Ge4 Na2 O9 -","- Ge24 Na12 O54 -","6","0.5","FN3142","Redhammer, Günther J.; Tippelt, Gerold","The tetragermanates <i>A</i>~2~Ge~4~O~9~ (<i>A</i> = Na, K and Rb)","Acta Crystallographica Section C","2013","69","9","995","1001","10.1107/S0108270113020921","","","0.71073","MoKα","","0.0316","0.028","","","","0.0549","","","","","","1.209","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019133","11.8461","0.0004","11.8461","0.0004","9.8009","0.0004","90","","90","","120","","1191.1","0.07","295","2","295","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","potassium tetragermanate","Dipotassium tetragermanate","","- Ge4 K2 O9 -","- Ge4 K2 O9 -","- Ge24 K12 O54 -","6","0.5","FN3142","Redhammer, Günther J.; Tippelt, Gerold","The tetragermanates <i>A</i>~2~Ge~4~O~9~ (<i>A</i> = Na, K and Rb)","Acta Crystallographica Section C","2013","69","9","995","1001","10.1107/S0108270113020921","","","0.71073","MoKα","","0.0153","0.0143","","","","0.0345","","","","","","1.144","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019134","12.1008","0.0006","12.1008","0.0006","9.8722","0.0005","90","","90","","120","","1251.91","0.11","295","2","295","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","rubidium tetragermanate","Dirubidium tetragermanate","","- Ge4 O9 Rb2 -","- Ge4 O9 Rb2 -","- Ge24 O54 Rb12 -","6","0.5","FN3142","Redhammer, Günther J.; Tippelt, Gerold","The tetragermanates <i>A</i>~2~Ge~4~O~9~ (<i>A</i> = Na, K and Rb)","Acta Crystallographica Section C","2013","69","9","995","1001","10.1107/S0108270113020921","","","0.71073","MoKα","","0.0189","0.0174","","","","0.0424","","","","","","1.196","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019135","6.2908","0.0003","12.4043","0.0006","9.2181","0.0005","90","","106.146","0.002","90","","690.94","0.06","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tutton salt ammonium copper","Diammonium hexaaquacopper(II) disulfate","","- Cu H20 N2 O14 S2 -","- Cu H20 N2 O14 S2 -","- Cu2 H40 N4 O28 S4 -","2","0.5","FN3144","Weil, Matthias","On the (non-)existence of Tutton salts with formula types [<i>M</i>(H~2~O)~6~](ClO~4~)~2~(H~2~O)~2~ and Na~2~<i>M</i>(SO~4~)~2~(H~2~O)~6~ (<i>M</i> is a first-row transition metal)","Acta Crystallographica Section C","2013","69","9","990","994","10.1107/S0108270113020027","","","0.71073","MoKα","","0.0244","0.0239","","","0.0693","0.0696","","","","","","1.143","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019136","6.2345","0.0012","12.333","0.003","9.1822","0.0018","90","","105.56","0.03","90","","680.1","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Tutton salt ammonium/potassium copper","Di(ammonium/potassium) hexaaquacopper(II) disulfate","","- Cu H16.704 K0.824 N1.176 O14 S2 -","- Cu H12 K0.824 N1.176 O14 S2 -","- Cu2 H24 K1.648 N2.352 O28 S4 -","2","0.5","FN3144","Weil, Matthias","On the (non-)existence of Tutton salts with formula types [<i>M</i>(H~2~O)~6~](ClO~4~)~2~(H~2~O)~2~ and Na~2~<i>M</i>(SO~4~)~2~(H~2~O)~6~ (<i>M</i> is a first-row transition metal)","Acta Crystallographica Section C","2013","69","9","990","994","10.1107/S0108270113020027","","","0.71073","MoKα","","0.0332","0.0301","","","0.0778","0.0791","","","","","","1.166","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019137","13.6822","0.0014","17.0621","0.0018","18.66","0.002","90","","90","","90","","4356.1","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Tripp3PH + Cl O4 -","Tris(2,4,6-triisopropylphenyl)phosphonium perchlorate","","- C45 H70 Cl O4 P -","- C45 H70 Cl O4 P -","- C180 H280 Cl4 O16 P4 -","4","1","FN3145","Boeré, René T.; Zhang, Yuankui","A study of the pyramidality index in tris(2,4,6-triisopropylphenyl)phosphonium perchlorate","Acta Crystallographica Section C","2013","69","9","1051","1054","10.1107/S0108270113020647","","","0.71073","MoKα","","0.0654","0.0388","","","0.0864","0.0965","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019138","7.2555","0.0015","13.931","0.003","16.326","0.003","90","","96.07","0.03","90","","1640.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[benzyltriethylammonium [[chloridocadmate(II)]-di-μ-chlorido]]","","- C13 H22 Cd Cl3 N -","- C13 H22 Cd Cl3 N -","- C52 H88 Cd4 Cl12 N4 -","4","1","FN3146","Sun, Su-Wen; Jin, Lei","A novel pentacoordinated cadmium compound: <i>catena</i>-poly[benzyltriethylammonium [[chloridocadmate(II)]-di-μ-chlorido]]","Acta Crystallographica Section C","2013","69","9","1030","1033","10.1107/S010827011302221X","","","0.71073","MoKα","","0.0326","0.0301","","","0.0743","0.0759","","","","","","1.261","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019139","7.985","0.0003","6.5561","0.0002","9.6727","0.0004","90","","93.655","0.004","90","","505.34","0.03","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","(Hexaaquadichlorido)neodymium(III) chloride","","- Cl3 H12 Nd O6 -","- Cl3 H12 Nd O6 -","- Cl6 H24 Nd2 O12 -","2","0.5","LG3118","Hsieh, Kuan-Ying; Bendeif, El-Eulmi; Pillet, Sebastien; Doudouh, Abdelatif; Schaniel, Dominik; Woike, Theo","Structural reinvestigation of the photoluminescent complex [NdCl~2~(H~2~O)~6~]Cl","Acta Crystallographica Section C","2013","69","9","1002","1005","10.1107/S0108270113021367","","","0.71073","MoKα","","0.0171","0.0156","","","0.0296","0.0302","","","","","","1.034","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019140","11.4739","0.0006","15.9431","0.0007","13.4291","0.0008","90","","114.048","0.007","90","","2243.4","0.2","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[diaquabis(4-{4-[4-(pyridin-4-yl)phenoxy]phenyl}pyridine)nickel(II)]-μ~2~-naphthalene-2,6-dicarboxylato]","","- C56 H42 N4 Ni O8 -","- C56 H42 N4 Ni O8 -","- C112 H84 N8 Ni2 O16 -","2","0.5","SF3203","Guo, Cui-Lian; Yao, Xiao-Qiang; Cheng, Yong-Qiang; Liu, Yan","A three-dimensional polycatenation framework: <i>catena</i>-poly[[diaquabis(4-{4-[4-(pyridin-4-yl)phenoxy]phenyl}pyridine)nickel(II)]-μ~2~-naphthalene-2,6-dicarboxylato]","Acta Crystallographica Section C","2013","69","9","1022","1025","10.1107/S010827011302012X","","","0.71073","MoKα","","0.0667","0.0469","","","0.1134","0.1238","","","","","","1.073","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019141","8.45","0.001","11.665","0.002","14.93","0.003","75.44","0.02","76.65","0.02","86.44","0.02","1385.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","tricyclic acyclovir","3-[(2-Hydroxyethoxy)methyl]-6-methyl-6<i>H</i>-imidazol[1,2-<i>a</i>]purin-9(5<i>H</i>)-one","","- C11 H17 N5 O5 -","- C11 H17 N5 O5 -","- C44 H68 N20 O20 -","4","2","SF3206","Meepripruk, Montha; Haller, Kenneth J.","Reinvestigation of tricyclic acyclovir: characterization of a `proton-wire' model","Acta Crystallographica Section C","2013","69","9","1077","1080","10.1107/S0108270113021082","","","0.71073","MoKα","","0.1215","0.055","","","0.1203","0.1371","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019142","19.862","0.006","7.4877","0.0019","14.236","0.005","90","","133.61","0.02","90","","1533","1","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(6-amino-3-methyl-2-methylsulfanyl-4-oxopyrimidin-5-yl)methane","5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3<i>H</i>)-one]","","- C13 H18 N6 O2 S2 -","- C13 H18 N6 O2 S2 -","- C52 H72 N24 O8 S8 -","4","0.5","UK3079","Trilleras, Jorge; Ramos, Juan; Cobo, Justo; Glidewell, Christopher","5,5'-Methylenebis[6-amino-3-methyl-2-methylsulfanylpyrimidin-4(3<i>H</i>)-one]: an unusual molecular geometry within a hydrogen-bonded molecular ribbon","Acta Crystallographica Section C","2013","69","9","1043","1046","10.1107/S0108270113020465","","","0.71073","MoKα","","0.0536","0.0409","","","0.1025","0.1128","","","","","","1.072","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019143","9.3674","0.0004","12.5367","0.0006","13.315","0.0007","89.912","0.002","72.786","0.002","84.599","0.001","1486.42","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Poly[[bis[μ~2~-2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^1^:<i>N</i>^3^]copper(I)] tetrafluoroborate acetonitrile monosolvate]","","- C32 H33 B Cu F4 N7 -","- C32 H33 B Cu F4 N7 -","- C64 H66 B2 Cu2 F8 N14 -","2","1","WQ3040","Gui, Liu-cheng; Liang, Guang-ming; Zou, Hua-hong; Hou, Zhong","One-dimensional Cu^I^ and Ag^I^ ladder-like coordination polymers supported by 2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2013","69","9","1017","1021","10.1107/S0108270113019963","","","0.71073","MoKα","","0.0522","0.047","","","0.1368","0.1414","","","","","","1.086","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019144","9.56","0.007","12.946","0.01","13.849","0.011","90.163","0.01","108.773","0.009","95.518","0.009","1614","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","Poly[[bis[μ~2~-2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^1^:<i>N</i>^3^]silver(I)] perchlorate methanol monosolvate]","","- C31 H34 Ag Cl N6 O5 -","- C31 H34 Ag Cl N6 O5 -","- C62 H68 Ag2 Cl2 N12 O10 -","2","1","WQ3040","Gui, Liu-cheng; Liang, Guang-ming; Zou, Hua-hong; Hou, Zhong","One-dimensional Cu^I^ and Ag^I^ ladder-like coordination polymers supported by 2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section C","2013","69","9","1017","1021","10.1107/S0108270113019963","","","0.71073","MoKα","","0.0633","0.0444","","","0.107","0.1184","","","","","","1.019","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019145","8.0272","0.0013","17.482","0.003","11.4236","0.0013","90","","118.899","0.008","90","","1403.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-poly[[(methanol-κ<i>O</i>)(nitrato-κ<i>O</i>)cadmium(II)]-μ-3-(pyridin-2-yl)-5-(1<i>H</i>-1,2,4-triazol-5-yl)-4<i>H</i>-1,2,4-triazol-4-ido]","","- C10 H10 Cd N8 O4 -","- C10 H10 Cd N8 O4 -","- C40 H40 Cd4 N32 O16 -","4","1","WQ3042","Mao, Wen-Zhao; Chen, Jing","A one-dimensional coordination polymer of 5-(pyridin-2-yl)-3,3'-bi(4<i>H</i>-1,2,4-triazole) with Cd(NO~3~)~2~","Acta Crystallographica Section C","2013","69","9","1006","1009","10.1107/S0108270113019999","","","0.71073","MoKα","","0.0299","0.0238","","","0.0568","0.0598","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019146","9.2589","0.0009","16.163","0.0014","16.8728","0.0017","90","","90","","90","","2525","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","{1-[Bis(4-carboxy-3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-3,5-dimethyl-\ 1<i>H</i>-pyrazole-4-carboxylato}sodium dihydrate","","- C19 H25 N6 Na O8 -","- C19 H25 N6 Na O8 -","- C76 H100 N24 Na4 O32 -","4","1","YF3036","Alkorta, Ibon; Elguero, José; García, María Ángeles; López, Concepción; Claramunt, Rosa M.; Andrade, Gabriel A.; Yap, Glenn P. A.","A tris(pyrazol-1-yl)methane bearing carboxylic acid groups at position 4: {1-[bis(4-carboxy-3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)methyl]-3,5-dimethyl-1<i>H</i>-pyrazole-4-carboxylato}sodium dihydrate","Acta Crystallographica Section C","2013","69","9","972","976","10.1107/S0108270113018969","","","1.54178","CuKα","","0.1984","0.1358","","","0.3387","0.3809","","","","","","1.449","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019147","7.1582","0.0003","10.5984","0.0007","12.1715","0.0007","113.202","0.006","101.233","0.004","98.045","0.004","808.05","0.09","298","","298","","","","","","","","","4","P -1","-P 1","2","Serotonin adipate","2-(5-Hydroxy-1<i>H</i>-indol-3-yl)ethanaminium 3-carboxypropanoate","","- C16 H22 N2 O5 -","- C16 H22 N2 O5 -","- C32 H44 N4 O10 -","2","1","YF3040","Rychkov, Denis; Boldyreva, Elena V.; Tumanov, Nikolay A.","A new structure of a serotonin salt: comparison and conformational analysis of all known serotonin complexes","Acta Crystallographica Section C","2013","69","9","1055","1061","10.1107/S0108270113019823","","","0.7107","MoKα","","0.108","0.0514","","","0.0968","0.1205","","","","","","0.995","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019148","8.3637","0.0009","21.493","0.003","13.0968","0.0014","90","","119.941","0.013","90","","2040.1","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-[(1<i>RS</i>,3<i>SR</i>)-2-Oxocyclohexane-1,3-diyl]bis[(3<i>RS</i>,3'<i>SR</i>)-3-hydroxyindolin-2-one] dihydrate","","- C22 H24 N2 O7 -","- C22 H23.866 N2 O7 -","- C88 H95.464 N8 O28 -","4","1","YF3044","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","3,3'-[(1<i>RS</i>,3<i>SR</i>)-2-Oxocyclohexane-1,3-diyl]bis[(3<i>RS</i>,3'<i>SR</i>)-3-hydroxyindolin-2-one] dihydrate: organic layers of <i>R</i>~2~^2^(8), <i>R</i>~2~^2^(16) and <i>R</i>~6~^6^(40) rings linked by tetrameric water aggregates","Acta Crystallographica Section C","2013","69","9","1081","1084","10.1107/S0108270113020908","","","0.71073","MoKα","","0.1003","0.0489","","","0.0992","0.1197","","","","","","1.03","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019149","8.882","0.0005","10.1168","0.0017","14.279","0.003","69.627","0.013","72.298","0.01","84.381","0.011","1145.8","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-<i>tert</i>-Butyl-4-(4-chlorobenzyl)-<i>N</i>-(4-chlorobenzylidene)-1-phenyl-1<i>H</i>-pyrazol-5-amine","","- C27 H25 Cl2 N3 -","- C27 H25 Cl2 N3 -","- C54 H50 Cl4 N6 -","2","1","YF3046","Quiroga, Jairo; Pantoja, Dayana; Cobo, Justo; Glidewell, Christopher","(<i>E</i>)-3-<i>tert</i>-Butyl-4-(4-chlorobenzyl)-<i>N</i>-(4-chlorobenzylidene)-1-phenyl-1<i>H</i>-pyrazol-5-amine: sheets built from π-stacked hydrogen-bonded dimers","Acta Crystallographica Section C","2013","69","9","1039","1042","10.1107/S0108270113020246","","","0.71073","MoKα","","0.1252","0.0592","","","0.1363","0.1747","","","","","","1.06","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019150","10.1383","0.0009","10.6676","0.001","13.5193","0.0013","71.919","0.002","88.912","0.002","67.725","0.002","1278.1","0.2","100","0.5","100","0.5","","","","","","","","7","P -1","-P 1","2","jonyj40","Bis(μ-dimethyl phosphito)-κ^2^<i>P</i>:<i>O</i>;κ^2^<i>O</i>:<i>P</i>-bis{methyl[tris(3,5,-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]rhodium(III)}","","- C36 H62 B2 N12 O6 P2 Rh2 -","- C36 H62 B2 N12 O6 P2 Rh2 -","- C36 H62 B2 N12 O6 P2 Rh2 -","1","0.5","YP3031","Jiao, Yunzhe; Brennessel, William W.; Jones, William D.","A tris(pyrazolyl)borate rhodium phosphite complex that undergoes an Arbusov-like rearrangement","Acta Crystallographica Section C","2013","69","9","939","942","10.1107/S0108270113015953","","","0.71073","MoKα","","0.0879","0.0607","","","0.1456","0.157","","","","","","1.022","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019151","13.3372","0.0005","14.3257","0.0005","18.4712","0.001","90","","97.654","0.0008","90","","3497.8","0.3","184","","184","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H47 B Cu N4 P -","- C36 H47 B Cu N4 P -","- C144 H188 B4 Cu4 N16 P4 -","4","1","YP3032","Fujisawa, Kiyoshi; Noguchi, Naoto; Noguchi, Yuki; Lehnert, Nicolai","[Bis(3,5-diisopropylpyrazol-1-yl-κ<i>N</i>^2^)dihydroborato](triphenylphosphane-κ<i>P</i>)copper(I)","Acta Crystallographica Section C","2013","69","9","943","946","10.1107/S0108270113015965","","","0.7107","MoKα","","","0.0299","","","","0.0805","","","","","","1.059","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019152","8.3493","0.0005","13.197","0.0007","25.8732","0.0014","85.084","0.001","89.936","0.001","82.957","0.001","2818.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","{η^2^-μ-3-[2,4-Dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(12),5,7,9(13),10-pentaen-3-yl]prop-1-yn-yl}bis{3-[2,4-dioxo-3-azatricyclo[7.3.1.0^5,13^]trideca-1(12),5,7,9(13),10-pentaen-3-yl]prop-1-yn-1-yl}digold(I) deuterochloroform disolvate","","- C59 H52 Au2 Cl6 D2 N4 O6 -","- C59 H52 Au2 Cl6 D2 N4 O6 -","- C118 H104 Au4 Cl12 D4 N8 O12 -","2","1","YP3034","Reger, Daniel L.; Smith, Mark D.; Semeniuc, Radu F.","Tris(pyrazolyl)methane and 1,8-naphthalimide-functionalized dialkynylgold(I) anionic complexes","Acta Crystallographica Section C","2013","69","9","954","958","10.1107/S0108270113016636","","","0.71073","MoKα","","0.0709","0.0498","","","0.1095","0.1211","","","","","","1.027","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019153","8.4064","0.0005","13.3301","0.0007","38.1","0.002","90","","90.651","0.001","90","","4269.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{3-[2,2,2-tris(1<i>H</i>-pyrazol-1-yl)ethoxy]prop-1-yn-1-yl}aurate(I)","","- C40 H54 Au N13 O2 -","- C40 H54 Au N13 O2 -","- C160 H216 Au4 N52 O8 -","4","1","YP3034","Reger, Daniel L.; Smith, Mark D.; Semeniuc, Radu F.","Tris(pyrazolyl)methane and 1,8-naphthalimide-functionalized dialkynylgold(I) anionic complexes","Acta Crystallographica Section C","2013","69","9","954","958","10.1107/S0108270113016636","","","0.71073","MoKα","","0.0309","0.0286","","","0.0639","0.0646","","","","","","1.185","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019154","9.5735","0.0004","19.6344","0.0009","8.7321","0.0004","90","","90","","90","","1641.37","0.13","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","[H2B(3,5-(CF3)2Pz)2]Tl","{Bis[3,5-bis(trifluoromethyl)-1<i>H</i>pyrazol-1-yl-κ<i>N</i>^2^]borato}thallium(I)","","- C10 H4 B F12 N4 Tl -","- C10 H4 B F12 N4 Tl -","- C40 H16 B4 F48 N16 Tl4 -","4","0.5","YP3035","Dias, H. V. Rasika; Thankamani, Jose","Thallium(I) complexes of fluorinated bis- and tris(pyrazolyl)borate ligands: [H~2~B{3,5-(CF~3~)~2~pz}~2~]Tl and [HB{3,5-(CF~3~)~2~pz}~3~]Tl","Acta Crystallographica Section C","2013","69","9","959","962","10.1107/S0108270113016612","","","0.71073","MoKα","","0.0177","0.0169","","","0.0413","0.0415","","","","","","1.134","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019155","8.1068","0.0004","15.1155","0.0008","9.1676","0.0005","90","","100.034","0.001","90","","1106.2","0.1","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","[HB(3,5-(CF3)2Pz)3]Tl","{Tris[3,5-bis(trifluoromethyl)-1<i>H</i>pyrazol-1-yl-κ<i>N</i>^2^]borato}thallium(I)","","- C15 H4 B F18 N6 Tl -","- C15 H4 B F18 N6 Tl -","- C30 H8 B2 F36 N12 Tl2 -","2","0.5","YP3035","Dias, H. V. Rasika; Thankamani, Jose","Thallium(I) complexes of fluorinated bis- and tris(pyrazolyl)borate ligands: [H~2~B{3,5-(CF~3~)~2~pz}~2~]Tl and [HB{3,5-(CF~3~)~2~pz}~3~]Tl","Acta Crystallographica Section C","2013","69","9","959","962","10.1107/S0108270113016612","","","0.71073","MoKα","","0.0269","0.0263","","","0.0679","0.0684","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019156","9.891","0.0003","17.7415","0.0005","16.166","0.0005","90","","92.016","0.002","90","","2835.07","0.15","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Azido-κ<i>N</i>)[1,1,',1''-(phenylboranetriyl)tris(3-<i>tert</i>-butyl-1<i>H</i>-imidazol-2-ylidene)]cobalt(II)","","- C27 H38 B Co N9 -","- C27 H38 B Co N9 -","- C108 H152 B4 Co4 N36 -","4","1","YP3036","Scepaniak, Jeremiah J.; Margarit, Charles G.; Bontchev, Ranko P.; Smith, Jeremy M.","Cobalt azide complexes with a tris(carbene)borate ligand scaffold","Acta Crystallographica Section C","2013","69","9","968","971","10.1107/S0108270113017022","","","0.71073","MoKα","","0.0891","0.043","","","0.0896","0.1065","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019157","10.1553","0.0014","12.3593","0.0018","12.8113","0.0017","82.35","0.009","69.88","0.01","85.26","0.01","1495.2","0.4","228","2","228","2","","","","","","","","5","P -1","-P 1","2","","Bis(azido-κ<i>N</i>)[1,1,',1''-(phenylboranetriyl)tris(3-<i>tert</i>-butyl-1<i>H</i>-imidazol-2-ylidene)]cobalt(III)","","- C27 H38 B Co N12 -","- C27 H38 B Co N12 -","- C54 H76 B2 Co2 N24 -","2","1","YP3036","Scepaniak, Jeremiah J.; Margarit, Charles G.; Bontchev, Ranko P.; Smith, Jeremy M.","Cobalt azide complexes with a tris(carbene)borate ligand scaffold","Acta Crystallographica Section C","2013","69","9","968","971","10.1107/S0108270113017022","","","0.71073","MoKα","","0.1562","0.0599","","","0.1071","0.1425","","","","","","0.919","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019158","14.2713","0.0019","11.9298","0.0017","16.8543","0.0012","90","","104.919","0.008","90","","2772.8","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Bis(3,5-di-tert-butylpyrazol-1-yl)dithioacetato]chloridozinc(II)","","- C24 H39 Cl N4 S2 Zn -","- C24 H39 Cl N4 S2 Zn -","- C96 H156 Cl4 N16 S8 Zn4 -","4","1","YP3040","Tampier, Stefan; Burzlaff, Nicolai","Heteroscorpionate complexes based on bis(3,5-di-<i>tert</i>-butylpyrazol-1-yl)dithioacetate","Acta Crystallographica Section C","2013","69","9","981","985","10.1107/S0108270113021148","","","0.71073","MoKα","","0.0438","0.0273","","","0.0666","0.0745","","","","","","1.124","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019159","12.4026","0.0003","16.3932","0.0004","17.8867","0.0004","90","","105.013","0.002","90","","3512.56","0.15","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(3,5-di-<i>tert</i>-butylpyrazol-1-yl)dithioacetato](tetrahydrofuran)lithium(I) tetrahydrofuran monosolvate","","- C32 H55 Li N4 O2 S2 -","- C32 H55 Li N4 O2 S2 -","- C128 H220 Li4 N16 O8 S8 -","4","1","YP3040","Tampier, Stefan; Burzlaff, Nicolai","Heteroscorpionate complexes based on bis(3,5-di-<i>tert</i>-butylpyrazol-1-yl)dithioacetate","Acta Crystallographica Section C","2013","69","9","981","985","10.1107/S0108270113021148","","","0.71073","MoKα","","0.0903","0.0538","","","0.1342","0.1551","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019160","17.1939","0.0007","13.3487","0.0005","7.7658","0.0003","90","","90","","90","","1782.38","0.12","125","2","125","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","[Tris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)hydroborato]indium(I)","","- C15 H22 B In N6 -","- C15 H22 B In N6 -","- C60 H88 B4 In4 N24 -","4","0.5","YP3041","Yurkerwich, Kevin; Rong, Yi; Parkin, Gerard","Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands","Acta Crystallographica Section C","2013","69","9","963","967","10.1107/S0108270113016648","","","0.71073","MoKα","","0.0294","0.0264","","","0.0737","0.0757","","","","","","1.093","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019161","16.6414","0.0008","15.8504","0.0007","10.3779","0.0005","90","","90","","90","","2737.4","0.2","125","2","125","2","","","","","","","","5","A m a 2","A 2 -2a","40","","[Tris(3-<i>tert</i>-butyl-5-methyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)hydroborato]indium(I)","","- C24 H40 B In N6 -","- C24 H40 B In N6 -","- C96 H160 B4 In4 N24 -","4","0.5","YP3041","Yurkerwich, Kevin; Rong, Yi; Parkin, Gerard","Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands","Acta Crystallographica Section C","2013","69","9","963","967","10.1107/S0108270113016648","","","0.71073","MoKα","","0.0214","0.0191","","","0.0419","0.0429","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","176760","2020-10-21","18:00:00",""
"2019162","9.517","0.0015","17.753","0.003","19.763","0.003","90","","93.952","0.003","90","","3331.1","0.9","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Hydrido[tris(3-<i>tert</i>-butyl-5-methyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)hydroborato]gallium(III) tetrachloridogallium(III),","","- C24 H41 B Cl4 Ga2 N6 -","- C24 H41 B Cl4 Ga2 N6 -","- C96 H164 B4 Cl16 Ga8 N24 -","4","1","YP3041","Yurkerwich, Kevin; Rong, Yi; Parkin, Gerard","Gallium hydride and monovalent indium compounds that feature tris(pyrazolyl)hydroborate ligands","Acta Crystallographica Section C","2013","69","9","963","967","10.1107/S0108270113016648","","","0.71073","MoKα","","0.159","0.0625","","","0.0911","0.1162","","","","","","1.007","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019163","5.5944","0.0004","17.9908","0.0014","18.3844","0.0015","90","","92.22","0.001","90","","1849","0.2","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","Zolmitriptan hydrogen oxalate","Dimethyl(2-{5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1<i>H</i>-indol-3-yl}ethyl)azanium hydrogen oxalate","","- C18 H23 N3 O6 -","- C18 H23 N3 O6 -","- C72 H92 N12 O24 -","4","2","CU3036","Sridhar, Balasubramanian; Ravikumar, Krishnan; Hariharakrishnan, Venkatasubramanian","Zolmitriptan oxalate and zolmitriptan camphorsulfonate: the first structural study of salt complexes of the antimigraine drug zolmitriptan","Acta Crystallographica Section C","2013","69","10","1186","1191","10.1107/S0108270113024323","","","0.71073","MoKα","","0.0381","0.0356","","","0.0965","0.0991","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019164","9.5992","0.0015","16.361","0.003","16.927","0.002","90","","90","","90","","2658.4","0.7","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Zolmitriptan camphor sulfonate","Dimethyl(2-{5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1<i>H</i>-indol-3-yl}ethyl)azanium {2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl}methanesulfonate","","- C26 H37 N3 O6 S -","- C26 H37 N3 O6 S -","- C104 H148 N12 O24 S4 -","4","1","CU3036","Sridhar, Balasubramanian; Ravikumar, Krishnan; Hariharakrishnan, Venkatasubramanian","Zolmitriptan oxalate and zolmitriptan camphorsulfonate: the first structural study of salt complexes of the antimigraine drug zolmitriptan","Acta Crystallographica Section C","2013","69","10","1186","1191","10.1107/S0108270113024323","","","0.71073","MoKα","","0.0761","0.0618","","","0.1264","0.1324","","","","","","1.104","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019165","5.7265","0.0005","28.646","0.002","7.4941","0.0007","90","","100.327","0.009","90","","1209.43","0.18","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","isonipecotamide hydrogen oxalate dihydrate","4-Carbamoylpiperidinium hydrogen oxalate dihydrate","","- C8 H18 N2 O7 -","- C8 H18 N2 O7 -","- C32 H72 N8 O28 -","4","1","CU3038","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the hydrated proton-transfer salts of isonipecotamide with the dicarboxylic oxalic and adipic acid homologues","Acta Crystallographica Section C","2013","69","10","1192","1195","10.1107/S010827011302430X","","","0.71073","MoKα","","0.0546","0.0418","","","0.1056","0.1102","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019166","5.8454","0.0004","7.7696","0.0005","13.0987","0.0007","75.336","0.005","81.763","0.005","78.448","0.005","561.16","0.06","200","1","200","1","","","","","","","","4","P -1","-P 1","2","isonipecotamide adipate dihydrate","Bis(4-carbamoylpiperidinium) butane-1,4-dicarboxylate dihydrate","","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","- C18 H38 N4 O8 -","1","0.5","CU3038","Smith, Graham; Wermuth, Urs D.","Three-dimensional hydrogen-bonded structures in the hydrated proton-transfer salts of isonipecotamide with the dicarboxylic oxalic and adipic acid homologues","Acta Crystallographica Section C","2013","69","10","1192","1195","10.1107/S010827011302430X","","","0.71073","MoKα","","0.0515","0.0348","","","0.0829","0.0876","","","","","","0.979","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019167","12.786","0.003","7.872","0.0018","20.732","0.005","90","","105.573","0.003","90","","2010.1","0.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-Bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole","","- C26 H20 N4 O -","- C26 H20 N4 O -","- C104 H80 N16 O4 -","4","1","EM3058","Hou, Shan; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","2,5-Bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole and its one-dimensional polymeric complex with ZnCl~2~","Acta Crystallographica Section C","2013","69","10","1108","1111","10.1107/S0108270113022105","","","0.71073","MoKα","","0.0531","0.0438","","","0.1135","0.1217","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019168","17.779","0.003","7.3406","0.0014","18.944","0.004","90","","102.942","0.002","90","","2409.5","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[dichloridozinc(II)]-μ-2,5-bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole]","","- C26 H20 Cl2 N4 O Zn -","- C26 H20 Cl2 N4 O Zn -","- C104 H80 Cl8 N16 O4 Zn4 -","4","1","EM3058","Hou, Shan; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin","2,5-Bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole and its one-dimensional polymeric complex with ZnCl~2~","Acta Crystallographica Section C","2013","69","10","1108","1111","10.1107/S0108270113022105","","","0.71073","MoKα","","0.0631","0.0429","","","0.1014","0.1112","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019169","11.4108","0.0006","7.1795","0.0004","16.9372","0.0009","90","","95.774","0.001","90","","1380.52","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[μ-aqua-aqua-μ~9~-(2,4-dicarboxy-5-sulfonatobenzoato)-dipotassium(I)]","","- C9 H8 K2 O11 S -","- C9 H8 K2 O11 S -","- C36 H32 K8 O44 S4 -","4","1","EM3061","Xiong, Wei-Lu; Wang, Yu-Ling; Liu, Qing-Yan","A three-dimensional polymeric potassium complex of 5-sulfonobenzene-1,2,4-tricarboxylic acid: poly[μ-aqua-aqua-μ~9~-(2,4-dicarboxy-5-sulfonatobenzoato)-dipotassium(I)]","Acta Crystallographica Section C","2013","69","10","1132","1135","10.1107/S0108270113024499","","","0.71073","MoKα","","0.0364","0.0323","","","0.0898","0.0935","","","","","","1","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019170","10.9339","0.0007","16.5179","0.0011","11.1325","0.0007","90","","104.114","0.001","90","","1949.9","0.2","186","2","186","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diethyl [(4-bromoanilino)(4-ethynylphenyl)methyl]phosphonate","","- C19 H21 Br N O3 P -","- C19 H21 Br N O3 P -","- C76 H84 Br4 N4 O12 P4 -","4","1","FG3306","Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.","Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates","Acta Crystallographica Section C","2013","69","10","1157","1163","10.1107/S0108270113022981","","","0.71073","MoKα","","0.0478","0.0376","","","0.075","0.0787","","","","","","1.087","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019171","17.3791","0.0016","14.7131","0.0013","20.019","0.003","90","","90.464","0.001","90","","5118.7","1","183","2","183","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","Diethyl ((4-chloro-2-methylanilino){4-[2-(trimethylsilyl)ethynyl]phenyl}methyl)phosphonate","","- C23 H31 Cl N O3 P Si -","- C23 H31 Cl N O3 P Si -","- C184 H248 Cl8 N8 O24 P8 Si8 -","8","1","FG3306","Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.","Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates","Acta Crystallographica Section C","2013","69","10","1157","1163","10.1107/S0108270113022981","","","0.71073","MoKα","","0.1453","0.1011","","","0.1648","0.1807","","","","","","1.202","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019172","8.9633","0.0007","11.1726","0.0009","12.6997","0.001","69.98","0.001","87.263","0.001","73.667","0.001","1145.06","0.16","184","2","184","2","","","","","","","","7","P -1","-P 1","2","","Diethyl ((4-fluoroanilino){4-[2-(trimethylsilyl)ethynyl]phenyl}methyl)phosphonate","","- C22 H29 F N O3 P Si -","- C22 H29 F N O3 P Si -","- C44 H58 F2 N2 O6 P2 Si2 -","2","1","FG3306","Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.","Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates","Acta Crystallographica Section C","2013","69","10","1157","1163","10.1107/S0108270113022981","","","0.71073","MoKα","","0.0928","0.0612","","","0.1345","0.1475","","","","","","1.07","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019173","11.3104","0.001","11.5194","0.001","17.8485","0.0016","82.703","0.001","81.943","0.001","64.035","0.001","2064.5","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Diethyl [(4-ethynylphenyl)(naphthalen-2-ylamino)methyl]phosphonate","","- C23 H24 N O3 P -","- C23 H24 N O3 P -","- C92 H96 N4 O12 P4 -","4","2","FG3306","Ouahrouch, Abdelaaziz; Krim, Jamal; Taourirte, Moha; Lazrek, Hassan B.; Engels, Joachim W.; Bats, Jan W.","Four related diethyl [(arylamino)(4-ethynylphenyl)methyl]phosphonates","Acta Crystallographica Section C","2013","69","10","1157","1163","10.1107/S0108270113022981","","","0.71073","MoKα","","0.117","0.0752","","","0.1401","0.1555","","","","","","1.109","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019174","13.808","0.004","10.704","0.003","9.183","0.002","90","","90.241","0.004","90","","1357.2","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[triaqua(isobutyrato-κ<i>O</i>)magnesium(II)]-μ-isobutyrato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","","- C8 H22 Mg O8 -","- C8 H22 Mg O8 -","- C32 H88 Mg4 O32 -","4","1","FG3307","Malaestean, Iurie L.; Schmitz, Sebastian; Ellern, Arkady; Kögerler, Paul","<!?tlsb=-0.06pt>Zigzag polymer chains in <i>catena</i>-poly[[[triaqua(isobutyrato-κ<i>O</i>)magnesium(II)]-μ-isobutyrato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section C","2013","69","10","1144","1146","10.1107/S0108270113025043","","","0.71073","MoKα","","0.0701","0.042","","","0.0824","0.0924","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019175","11.6678","0.0012","16.6283","0.0017","17.8362","0.0018","90","","97.368","0.002","90","","3431.9","0.6","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-3-Methyl-4-[2-(4-methylphenyl)hydrazinylidene]-1-(pentafluorophenyl)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C17 H11 F5 N4 O -","- C17 H11 F5 N4 O -","- C136 H88 F40 N32 O8 -","8","2","FN3154","Alvarez-Thon, Luis; Bustos, Carlos; Espinoza-Santibañez, Katherina; Garland, Maria Teresa; Baggio, Ricardo","Dimers linked by type-I C—F···F—C contacts in (<i>Z</i>)-3-methyl-4-[2-(4-methylphenyl)hydrazinylidene]-1-(pentafluorophenyl)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section C","2013","69","10","1200","1204","10.1107/S0108270113024943","","","0.71073","MoKα","","0.0879","0.0421","","","0.1061","0.123","","","","","","0.916","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019176","33.661","0.007","5.1236","0.0011","20.232","0.004","90","","113.93","0.002","90","","3189.4","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-Carboxymethyl-3-methyl-1<i>H</i>-imidazol-3-ium chloride 2-(3-methyl-1<i>H</i>-imidazol-3-ium-1-yl)acetate monohydrate","","- C12 H19 Cl N4 O5 -","- C12 H19 Cl N4 O5 -","- C96 H152 Cl8 N32 O40 -","8","1","KU3105","Zhang, Heng; Chang, Liangliang; Wang, Na; Xuan, Xiaopeng","1-Carboxymethyl-3-methyl-1<i>H</i>-imidazol-3-ium chloride 2-(3-methyl-1<i>H</i>-imidazol-3-ium-1-yl)acetate monohydrate: a crystal stabilized by imidazolium zwitterions","Acta Crystallographica Section C","2013","69","10","1173","1176","10.1107/S0108270113023676","","","0.71073","MoKα","","0.0562","0.0371","","","0.086","0.0974","","","","","","1.04","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019177","9.31165","0.00009","4.62854","0.00005","15.81663","0.00016","90","","90","","90","","681.686","0.012","298","2","298","2","","","","","","","","3","P 21 c a","P -2ac 2a","29","","Dilithium tetragermanate","","- Ge4 Li2 O9 -","- Ge4 Li2 O9 -","- Ge16 Li8 O36 -","4","1","KU3106","Redhammer, Günther J.; Tippelt, Gerold","The polar phase of Li~2~Ge~4~O~9~ at 298, 150 and 90K","Acta Crystallographica Section C","2013","69","10","1091","1095","10.1107/S0108270113025110","","","0.71073","MoKα","","0.0211","0.019","","","","0.047","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019178","9.3044","0.0005","4.6253","0.0002","15.8331","0.0008","90","","90","","90","","681.39","0.06","90","1","90","1","","","","","","","","3","P 21 c a","P -2ac 2a","29","","Dilithium tetragermanate","","- Ge4 Li2 O9 -","- Ge4 Li2 O9 -","- Ge16 Li8 O36 -","4","1","KU3106","Redhammer, Günther J.; Tippelt, Gerold","The polar phase of Li~2~Ge~4~O~9~ at 298, 150 and 90K","Acta Crystallographica Section C","2013","69","10","1091","1095","10.1107/S0108270113025110","","","0.71073","MoKα","","0.0158","0.0151","","","","0.0379","","","","","","1.126","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019179","9.3081","0.0006","4.6267","0.0003","15.8298","0.0011","90","","90","","90","","681.72","0.08","150","1","150","1","","","","","","","","3","P 21 c a","P -2ac 2a","29","","Dilithium tetragermanate","","- Ge4 Li2 O9 -","- Ge4 Li2 O9 -","- Ge16 Li8 O36 -","4","1","KU3106","Redhammer, Günther J.; Tippelt, Gerold","The polar phase of Li~2~Ge~4~O~9~ at 298, 150 and 90K","Acta Crystallographica Section C","2013","69","10","1091","1095","10.1107/S0108270113025110","","","0.71073","MoKα","","0.016","0.0153","","","","0.0372","","","","","","1.128","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019180","31.286","0.003","33.409","0.003","14.3488","0.0012","90","","90","","90","","14998","2","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Al-complex","Tris(<i>N</i>,<i>N</i>'-diisopropylbenzimidamido)aluminium(III)","","- C39 H57 Al N6 -","- C39 H57 Al N6 -","- C624 H912 Al16 N96 -","16","2","KY3026","Mayo, Dennis H.; Peng, Yang; Zavalij, Peter; Bowen, Kit H.; Eichhorn, Bryan W.","Aluminium(III) amidinates formed from reactions of `AlCl' with lithium amidinates","Acta Crystallographica Section C","2013","69","10","1120","1123","10.1107/S0108270113023135","","","0.71073","MoKα","","0.0819","0.0496","","","0.078","0.0866","","","","","","1.028","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019181","19.205","0.001","16.4832","0.0009","17.8498","0.001","90","","106.287","0.001","90","","5423.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AlCl-complex","Chloridobis(<i>N</i>,<i>N</i>'-diisopropylbenzimidamido)aluminium(III)","","- C26 H38 Al Cl N4 -","- C26 H38 Al Cl N4 -","- C208 H304 Al8 Cl8 N32 -","8","2","KY3026","Mayo, Dennis H.; Peng, Yang; Zavalij, Peter; Bowen, Kit H.; Eichhorn, Bryan W.","Aluminium(III) amidinates formed from reactions of `AlCl' with lithium amidinates","Acta Crystallographica Section C","2013","69","10","1120","1123","10.1107/S0108270113023135","","","0.71073","MoKα","","0.0772","0.0463","","","0.082","0.0896","","","","","","1","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019182","22.042","0.004","16.007","0.003","12.852","0.002","90","","115.396","0.002","90","","4096.3","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Amidinate Aluminium Chloride","Chloridobis(<i>N</i>,<i>N</i>'-dicyclohexylbenzimidamido)aluminium(III) tetrahydrofuran 0.675-solvate","","- C40.7 H59.4 Al Cl N4 O0.68 -","- C38 H54 Al Cl N4 -","- C152 H216 Al4 Cl4 N16 -","4","0.5","KY3026","Mayo, Dennis H.; Peng, Yang; Zavalij, Peter; Bowen, Kit H.; Eichhorn, Bryan W.","Aluminium(III) amidinates formed from reactions of `AlCl' with lithium amidinates","Acta Crystallographica Section C","2013","69","10","1120","1123","10.1107/S0108270113023135","","","0.71073","MoKα","","0.0417","0.0373","","","0.0799","0.0818","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019183","12.472","0.004","12.76","0.004","14.192","0.004","76.778","0.005","80.258","0.005","68.709","0.004","2039.4","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-poly[aquabis(μ~3~-2,2'-{[1,2-phenylenebis(methylene)]bis(sulfanediyl)}dibenzoato)dicadmium(II)]","","- C44 H34 Cd2 O9 S4 -","- C44 H34 Cd2 O9 S4 -","- C88 H68 Cd4 O18 S8 -","2","1","KY3038","Deng, Yong-Kai; Yan, Zhi-Hao; Sun, Di","A one-dimensional cadmium metal‒organic chain based on a [Cd~4~(COO)~4~] secondary building unit and a flexible dicarboxylic acid ligand","Acta Crystallographica Section C","2013","69","10","1147","1151","10.1107/S0108270113025699","","","0.71073","MoKα","","0.0818","0.0434","","","0.094","0.1119","","","","","","0.964","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019184","8.5997","0.0005","11.1264","0.0006","11.6962","0.0006","85.02","0.004","85.72","0.004","74.647","0.005","1073.57","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')bis(acetato-κ<i>O</i>)bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')dicopper(II)] 4-nitrophenol disolvate tetrahydrate]","","- C20 H23 Cu N3 O9 -","- C20 H23 Cu N3 O9 -","- C40 H46 Cu2 N6 O18 -","2","1","LG3119","Zamisa, Sizwe J.; Ndungu, Patrick; Omondi, Bernard","The double-stranded ladder-like structure of poly[[bis(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')bis(acetato-κ<i>O</i>)bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')dicopper(II)] 4-nitrophenol disolvate tetrahydrate]","Acta Crystallographica Section C","2013","69","10","1100","1103","10.1107/S0108270113023093","","","1.54184","CuKα","","0.0386","0.0342","","","0.0939","0.0989","","","","","","1.11","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019185","9.7282","0.0006","24.9148","0.0016","10.0307","0.0006","90","","108.618","0.001","90","","2304","0.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Lamotriginium 4-iodobenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 4-iodobenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H19 Cl2 I N6 O3 -","- C19 H19 Cl2 I N6 O3 -","- C76 H76 Cl8 I4 N24 O12 -","4","1","LG3120","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Solvent-mediated pseudo-quadruple hydrogen-bond motifs in three lamotrigine‒carboxylic acid complexes","Acta Crystallographica Section C","2013","69","10","1164","1169","10.1107/S0108270113023573","","","0.71073","MoKα","","0.0348","0.0293","","","0.0734","0.0766","","","","","","1.021","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019186","9.3976","0.0012","24.904","0.003","10.2105","0.0014","90","","108.976","0.003","90","","2259.8","0.5","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Lamotriginium 4-methylbenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 4-methylbenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C20 H22 Cl2 N6 O3 -","- C20 H22 Cl2 N6 O3 -","- C80 H88 Cl8 N24 O12 -","4","1","LG3120","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Solvent-mediated pseudo-quadruple hydrogen-bond motifs in three lamotrigine‒carboxylic acid complexes","Acta Crystallographica Section C","2013","69","10","1164","1169","10.1107/S0108270113023573","","","0.71073","MoKα","","0.087","0.0706","","","0.1509","0.1593","","","","","","1.19","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019187","10.0227","0.0005","10.5507","0.0005","12.5359","0.0006","81.858","0.001","71.888","0.001","70.009","0.001","1183.1","0.1","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Lamotriginium 3,5-dinitro-2-hydroxybenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 3,5-dinitro-2-hydroxybenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate","","- C19 H18 Cl2 N8 O8 -","- C19 H18 Cl2 N8 O8 -","- C38 H36 Cl4 N16 O16 -","2","1","LG3120","Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan","Solvent-mediated pseudo-quadruple hydrogen-bond motifs in three lamotrigine‒carboxylic acid complexes","Acta Crystallographica Section C","2013","69","10","1164","1169","10.1107/S0108270113023573","","","0.71073","MoKα","","0.062","0.0556","","","0.1595","0.1663","","","","","","1.06","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019188","33.4368","0.0005","6.049","0.0001","14.6066","0.0002","90","","108.034","0.001","90","","2809.18","0.08","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-((<i>E</i>)-{5-[(<i>E</i>)-(Pyridin-3-ylimino)methyl]thiophen-2-yl}methylidene)pyridin-3-amine","","- C16 H12 N4 S -","- C16 H12 N4 S -","- C128 H96 N32 S8 -","8","1","LG3122","Bolduc, Andréanne; Dufresne, Stéphane; Skene, W. G.","The six-membered-ring azomethine <i>N</i>-((<i>E</i>)-{5-[(<i>E</i>)-(pyridin-3-ylimino)methyl]thiophen-2-yl}methylidene)pyridin-3-amine","Acta Crystallographica Section C","2013","69","10","1196","1199","10.1107/S0108270113024566","","","0.71073","MoKα","","0.0382","0.0361","","","0.0917","0.0937","","","","","","1.065","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019189","17.183","0.005","9.482","0.003","20.058","0.007","90","","110.42","0.01","90","","3062.7","1.7","297","2","297","2","","","","","","","","6","C 1 2 1","C 2y","5","Cs2.91Na1.34Fe0.25[Fe3O(SO4)6(H2O)3].5H2O","tricaesium sodium iron(III) μ~3~-oxido-hexa-μ~2~-sulfato-tris[aquairon(III)] pentahydrate","","- Cs2.91 Fe3.25 H16 Na1.34 O33 S6 -","- Cs2.911 Fe3.25 H16 Na1.339 O33 S6 -","- Cs11.644 Fe13 H64 Na5.356 O132 S24 -","4","1","OV3034","Mereiter, Kurt","Cs~2.91~Na~1.34~Fe^3+^~0.25~[Fe~3~O(SO~4~)~6~(H~2~O)~3~]·5H~2~O, a member of the Maus's salt family","Acta Crystallographica Section C","2013","69","10","1085","1090","10.1107/S0108270113023275","","","0.71073","MoKα","","0.0358","0.0279","","","0.0513","0.0535","","","","","","1.064","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019190","7.7253","0.0004","8.6778","0.0005","11.5759","0.0007","72.136","0.005","87.59","0.004","75.671","0.004","715.16","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Pyrazine-Gabapentin","2-{1-[(Pyrazin-2-ylformamido)methyl]cyclohexyl}acetic acid","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C28 H38 N6 O6 -","2","1","QS3028","Wani, Naiem Ahmad; Gupta, Vivek Kumar; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","<i>C</i>~5~ and <i>C</i>~7~ intramolecular hydrogen bonds stabilize the structure of <i>N</i>-pyrazinoyl-gabapentin (Pyr-Gpn-OH)","Acta Crystallographica Section C","2013","69","10","1170","1172","10.1107/S0108270113021781","","","0.71073","MoKα","","0.0889","0.0496","","","0.1174","0.1614","","","","","","1.013","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019191","11.156","0.002","14.659","0.003","15.887","0.003","90","","96.07","0.03","90","","2583.5","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[di-μ~2~-aqua-hexaaquabis(μ~3~-4-oxidopyridine-2,6-dicarboxylato)trimanganese(II)] trihydrate]","","- C14 H26 Mn3 N2 O21 -","- C14 H26 Mn3 N2 O21 -","- C56 H104 Mn12 N8 O84 -","4","0.5","SF3207","Mirzaei, Masoud; Eshtiagh-Hosseini, Hossein; Karrabi, Zahra; Notash, Behrouz","<i>catena</i>-Poly[[di-μ~2~-aqua-hexaaquabis(μ~3~-4-oxidopyridine-2,6-dicarboxylato)trimanganese(II)] trihydrate]: a new one-dimensional coordination polymer based on a trinuclear Mn^II^ complex of chelidamic acid","Acta Crystallographica Section C","2013","69","10","1140","1143","10.1107/S0108270113025006","","","0.71073","MoKα","","0.0553","0.0397","","","0.0837","0.0885","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019192","11.3701","0.0003","12.7057","0.0003","16.3139","0.0004","90","","100.896","0.002","90","","2314.3","0.1","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Hexafluorosilicato-κ^2^<i>F</i>,<i>F</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) methanol monosolvate","","- C25 H20 F6 N4 O Si Zn -","- C25 H20 F6 N4 O Si Zn -","- C100 H80 F24 N16 O4 Si4 Zn4 -","4","1","SK3504","Seidel, Rüdiger W.; Dietz, Christina; Breidung, Jürgen; Goddard, Richard; Oppel, Iris M.","(Hexafluorosilicato-κ^2^<i>F</i>,<i>F</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) methanol monosolvate","Acta Crystallographica Section C","2013","69","10","1112","1115","10.1107/S0108270113023007","","","0.71073","MoKα","","0.0466","0.0306","","","0.0655","0.0713","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019193","9.4245","0.0014","10.6605","0.0016","18.405","0.003","80.2989","0.0019","85.094","0.002","78.1155","0.0019","1781.2","0.5","296","","296","","","","","","","","","3","P -1","-P 1","2","","3,5,7-triphenyl-1,2-diazacyclohepta-1(7),2-diene","","- C23 H20 N2 -","- C23 H20 N2 -","- C92 H80 N8 -","4","2","SK3507","Shi, Yao-Cheng; Duan, Hong-Yang","Two seven-membered heterocycles with 1,2-diaza ring N atoms: 3,5,7-triphenyl-1,2-diazacyclohepta-1(7),2-diene and 3,7-bis(2-hydroxyphenyl)-5-phenyl-1,2-diazacyclohepta-1(7),2-diene","Acta Crystallographica Section C","2013","69","10","1177","1180","10.1107/S0108270113023792","","","0.71073","MoKα","","0.0875","0.049","","","0.126","0.1492","","","","","","1.018","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019194","23.9715","0.0014","9.5669","0.0016","18.2303","0.0012","90","","119.256","0.003","90","","3647.5","0.7","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,7-bis(2-hydroxyphenyl)-5-phenyl-1,2-diazacyclohepta-1(7),2-diene","","- Ct H20 N2 O2 wo23 -","- C23 H20 N2 O2 -","- C184 H160 N16 O16 -","8","1","SK3507","Shi, Yao-Cheng; Duan, Hong-Yang","Two seven-membered heterocycles with 1,2-diaza ring N atoms: 3,5,7-triphenyl-1,2-diazacyclohepta-1(7),2-diene and 3,7-bis(2-hydroxyphenyl)-5-phenyl-1,2-diazacyclohepta-1(7),2-diene","Acta Crystallographica Section C","2013","69","10","1177","1180","10.1107/S0108270113023792","","","0.71073","MoKα","","0.1186","0.045","","","0.0862","0.1093","","","","","","0.963","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019195","11.757","0.004","16.145","0.006","17.376","0.006","92.254","0.005","91.897","0.006","110.427","0.005","3084.6","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(diacetyl)bis(2-mercaptoanil)zinc(II)‒dimethyl sulfoxide‒methanol (2/0.18/0.82)","Bis{μ-2,2'-[(butane-2,3-diylidene)bis(azanylylidene)]dibenzenethiolato}dizinc(II)‒dimethyl sulfoxide‒methanol (2/0.18/0.82)","","- C65.18 H60.36 N8 O S8.18 Zn4 -","- C65.181 H60.362 N8 O S8.181 Zn4 -","- C130.362 H120.724 N16 O2 S16.362 Zn8 -","2","1","SK3509","Luck, Rudy L.; Olds, Travis A.; Zeller, Matthias","Bis{μ-2,2'-[(butane-2,3-diylidene)bis(azanylylidene)]dibenzenethiolato}dizinc(II)‒dimethyl sulfoxide‒methanol (2/0.18/0.82)","Acta Crystallographica Section C","2013","69","10","1116","1119","10.1107/S0108270113023524","","","0.71069","MoKα","","0.1062","0.0659","","","","0.1157","","","","","","1.105","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019196","9.5651","0.001","16.6002","0.0017","11.3351","0.0012","90","","108.4","0.001","90","","1707.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[bis{4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline}cobalt(II)]-bis[μ-1,3-bis(pyridin-4-yl)propane]]","","- C33 H32 Co N10 O4 S2 -","- C33 H32 Co N10 O4 S2 -","- C66 H64 Co2 N20 O8 S4 -","2","1","WQ3046","Zhao, Ya-Yun; Zhao, Xiu-Hua; Zhang, Jie; Pan, Jian-Guo; Li, Xing","Electrochemical properties of a cobalt(II) complex with sulfadiazine and 1,3-bis(pyridin-4-yl)propane","Acta Crystallographica Section C","2013","69","10","1096","1099","10.1107/S010827011302297X","","","0.71073","MoKα","","0.041","0.0338","","","0.0783","0.0826","","","","","","1.01","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019197","6.5322","0.0008","30.456","0.004","7.2856","0.0007","90","","91.223","0.003","90","","1449.1","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua[μ~4~-4-(isonicotinamido)phthalato]nickel(II)]","","- C14 H12 N2 Ni O7 -","- C14 H12 N2 Ni O7 -","- C56 H48 N8 Ni4 O28 -","4","1","WQ3047","Chen, Man-Sheng; Xu, Jin-Sheng; Deng, Yi-Fang; Zhang, Chun-Hua","Poly[diaqua[μ~4~-4-(isonicotinamido)phthalato]nickel(II)] displaying an <b>sra</b> topology","Acta Crystallographica Section C","2013","69","10","1124","1127","10.1107/S0108270113023846","","","0.71073","MoKα","","0.0628","0.0588","","","0.146","0.1472","","","","","","1.045","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019198","8.0676","0.0016","8.8427","0.0018","9.0977","0.0018","105.64","0.03","105.18","0.03","98.56","0.03","586.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-poly[trimethylsulfonium [μ~2~-chlorido-di-μ~2~-thiocyanato-cadmate(II)]]","","- C5 H9 Cd Cl N2 S3 -","- C5 H9 Cd Cl N2 S3 -","- C10 H18 Cd2 Cl2 N4 S6 -","2","1","WQ3048","Liu, Ming-Liang","A trimethylsulfonium salt with a novel polymeric cadmate anion","Acta Crystallographica Section C","2013","69","10","1128","1131","10.1107/S0108270113023901","","","0.71073","MoKα","","0.0578","0.0444","","","0.1083","0.115","","","","","","1.093","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019199","10.531","0.003","14.714","0.005","11.675","0.004","90","","104.457","0.004","90","","1751.8","1","163","2","163","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Amino-5-iodopyridinium bromide hemihydrate","","- C5 H7 Br I N2 O0.5 -","- C5 H7 Br I N2 O0.5 -","- C40 H56 Br8 I8 N16 O4 -","8","2","YF3045","Polson, Matthew; Turnbull, Mark M.; Wikaira, Jan L.","2-Amino-5-iodopyridinium bromide hemihydrate and 2-amino-5-iodopyridinium chloride monohydrate","Acta Crystallographica Section C","2013","69","10","1152","1156","10.1107/S0108270113020891","","","0.71073","MoKα","","0.0256","0.0222","","","0.0491","0.05","","","","","","1.065","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2019200","4.177","0.002","12.972","0.007","17.601","0.01","90","","94.904","0.011","90","","950.2","0.9","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-iodopyridinium chloride monohydrate hydrochloric acid 0.375-solvate","","- C5 H8.375 Cl1.375 I N2 O -","- C5 H8.39 Cl1.38 I N2 O1.01 -","- C20 H33.56 Cl5.52 I4 N8 O4.04 -","4","1","YF3045","Polson, Matthew; Turnbull, Mark M.; Wikaira, Jan L.","2-Amino-5-iodopyridinium bromide hemihydrate and 2-amino-5-iodopyridinium chloride monohydrate","Acta Crystallographica Section C","2013","69","10","1152","1156","10.1107/S0108270113020891","","","0.71073","MoKα","","0.0243","0.0224","","","0.0595","0.0608","","","","","","1.153","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2019201","11.3673","0.0002","9.5997","0.0002","28.6571","0.0005","90","","90","","90","","3127.14","0.1","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-cyclohexylpiperazine-1,4-diium tetrachloridozincate","","- C10 H22 Cl4 N2 Zn -","- C10 H22 Cl4 N2 Zn -","- C80 H176 Cl32 N16 Zn8 -","8","1","CU3034","Soudani, Sarra; Aubert, Emmanuel; Jelsch, Christian; Ben Nasr, Cherif","The organic‒inorganic hybrid material 1-cyclohexylpiperazine-1,4-diium tetrachloridozincate","Acta Crystallographica Section C","2013","69","11","1304","1306","10.1107/S0108270113026267","","","1.54184","CuKα","","0.0227","0.0216","","","0.055","0.0557","","","","","","1.08","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019202","15.0087","0.0003","15.0087","","19.1943","0.0004","90","","90","","120","","3744.46","0.11","295","","295","","","","","","","","","4","R -3","-R 3","148","","Nonasodium scandium hexakis[tetraoxidomolybdate(II)]","","- Mo6 Na9 O24 Sc -","- Mo6 Na9 O24 Sc -","- Mo36 Na54 O144 Sc6 -","6","","CU3037","Savina, Aleksandra A.; Morozov, Vladimir A.; Basovich, Olga M.; Khaikina, Elena G.; Lazoryak, Bogdan I.","The double molybdate Na~9~Sc(MoO~4~)~6~ refined from powder XRD data","Acta Crystallographica Section C","2013","69","11","1301","1303","10.1107/S010827011302862X","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","3","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019203","8.4341","0.0013","12.445","0.002","9.6449","0.0015","90","","90","","90","","1012.4","0.3","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","Potassium ytterbium tetraborohydride","","- B4 H16 K Yb -","- B4 H16 K Yb -","- B16 H64 K4 Yb4 -","4","0.25","CU3040","Wegner, Wojciech; Jaroń, Tomasz; Grochala, Wojciech","<i>M</i>Yb(BH~4~)~4~ (<i>M</i> = K, Na) from laboratory X-ray powder data","Acta Crystallographica Section C","2013","69","11","1289","1291","10.1107/S0108270113027145","powder diffraction","","1.5418","CuKα","","0.0204","0.0204","","0.0235","0.0235","","","","1.32","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019204","8.438","0.004","12.057","0.006","9.057","0.004","90","","90","","90","","921.4","0.8","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","Sodium ytterbium tetraborohydride","","- B4 H16 Na Yb -","- B4 H16 Na Yb -","- B16 H64 Na4 Yb4 -","4","0.25","CU3040","Wegner, Wojciech; Jaroń, Tomasz; Grochala, Wojciech","<i>M</i>Yb(BH~4~)~4~ (<i>M</i> = K, Na) from laboratory X-ray powder data","Acta Crystallographica Section C","2013","69","11","1289","1291","10.1107/S0108270113027145","powder diffraction","","1.5418","CuKα","","0.0156","0.0156","","0.019","0.019","","","","2.25","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019205","7.235","0.002","7.282","0.002","13.512","0.004","88.714","0.005","85.131","0.005","67.239","0.005","654","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,4-Dinitro-<i>N</i>-(2-phenylethyl)aniline","","- C14 H13 N3 O4 -","- C14 H13 N3 O4 -","- C28 H26 N6 O8 -","2","1","CU3041","Wade, Colin B.; Mohanty, Dillip K.; Squattrito, Philip J.; Amato, Nicholas J.; Kirschbaum, Kristin","A series of <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2013","69","11","1383","1389","10.1107/S0108270113025869","","","0.71073","MoKα","","0.0647","0.04","","","0.0929","0.1037","","","","","","1.027","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019206","8.1121","0.0007","10.1819","0.0008","13.1018","0.0011","93.466","0.001","106.595","0.001","106.932","0.001","979.88","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,4-dinitro-1,5-bis-N-(2-phenylethyl)aminobenzene","4,6-Dinitro-<i>N</i>,<i>N</i>'-bis(2-phenylethyl)benzene-1,3-diamine","","- C22 H22 N4 O4 -","- C22 H22 N4 O4 -","- C44 H44 N8 O8 -","2","1","CU3041","Wade, Colin B.; Mohanty, Dillip K.; Squattrito, Philip J.; Amato, Nicholas J.; Kirschbaum, Kristin","A series of <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2013","69","11","1383","1389","10.1107/S0108270113025869","","","0.71073","MoKα","","0.0601","0.0427","","","0.1105","0.1207","","","","","","1.031","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019207","7.4871","0.0005","16.27","0.001","10.8432","0.0007","90","","94.384","0.001","90","","1317","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-cyano-4-nitro-N-(2-phenylethyl)aniline","2-cyano-4-nitro-<i>N</i>-(2-phenylethyl)aniline","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","1","CU3041","Wade, Colin B.; Mohanty, Dillip K.; Squattrito, Philip J.; Amato, Nicholas J.; Kirschbaum, Kristin","A series of <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2013","69","11","1383","1389","10.1107/S0108270113025869","","","0.71073","MoKα","","0.0429","0.0378","","","0.108","0.1129","","","","","","1.037","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019208","20.4639","0.0013","20.4639","0.0013","14.3952","0.0014","90","","90","","90","","6028.3","0.8","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","4-(methylsulfonyl)-2-nitro-N-(2-phenylethyl)aniline","4-(methylsulfonyl)-2-nitro-<i>N</i>-(2-phenylethyl)aniline","","- C15 H16 N2 O4 S -","- C15 H16 N2 O4 S -","- C240 H256 N32 O64 S16 -","16","1","CU3041","Wade, Colin B.; Mohanty, Dillip K.; Squattrito, Philip J.; Amato, Nicholas J.; Kirschbaum, Kristin","A series of <i>N</i>-(2-phenylethyl)nitroaniline derivatives as precursors for slow and sustained nitric oxide release agents","Acta Crystallographica Section C","2013","69","11","1383","1389","10.1107/S0108270113025869","","","0.71073","MoKα","","0.0312","0.029","","","0.0842","0.0863","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019209","10.874","0.004","22.702","0.008","9.137","0.003","90","","106.701","0.008","90","","2160.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[copper(II)-μ-[2-({2-[2-(naphthalen-2-yloxy)-1-oxidoethylidene]hydrazin-1-ylidene}methyl)phenolato]] dimethylformamide monosolvate monohydrate]","","- C22 H23 Cu N3 O5 -","- C22 H23 Cu N3 O5 -","- C88 H92 Cu4 N12 O20 -","4","1","EG3136","Chen, Xiao-Hua; Chen, Shun-Yu; Xie, Chun-Ling; Wu, Qiong-Jie","A novel one-dimensional copper(II) coordination polymer and a trinuclear nickel(II) complex with a one-dimensional hydrogen-bonded structure","Acta Crystallographica Section C","2013","69","11","1373","1377","10.1107/S0108270113027984","","","0.71073","MoKα","","0.075","0.0423","","","0.0938","0.1056","","","","","","1.052","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019210","10.978","0.005","11.653","0.005","12.276","0.008","80.87","0.02","64.41","0.02","74.069","0.016","1360.5","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(1<i>H</i>-imidazole)bis[μ-2-oxido-<i>N</i>'-(1-oxido-2-phenoxyethylidene)benzohydrazidato]trinickel(II) dimethylformamide tetrasolvate","","- C48 H62 N12 Ni3 O14 -","- C48 H62 N12 Ni3 O14 -","- C48 H62 N12 Ni3 O14 -","1","0.5","EG3136","Chen, Xiao-Hua; Chen, Shun-Yu; Xie, Chun-Ling; Wu, Qiong-Jie","A novel one-dimensional copper(II) coordination polymer and a trinuclear nickel(II) complex with a one-dimensional hydrogen-bonded structure","Acta Crystallographica Section C","2013","69","11","1373","1377","10.1107/S0108270113027984","","","0.71073","MoKα","","0.0807","0.0453","","","0.0988","0.1105","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019211","13.6714","0.0008","17.0453","0.0017","11.2195","0.0011","90","","93.361","0.007","90","","2610","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) tetrafluoroborate","","- C26 H24 B Cu F4 N7 -","- C26 H24 B Cu F4 N7 -","- C104 H96 B4 Cu4 F16 N28 -","4","1","FG3305","Potočňák, Ivan; Burčák, Milan; Dušek, Michal","Low-dimensional compounds containing cyanide groups. XXVI. (Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) complexes with tetrafluoroborate and perchlorate anions","Acta Crystallographica Section C","2013","69","11","1357","1361","10.1107/S0108270113027091","","","0.71073","MoKα","","0.0714","0.0445","","","0.1122","0.1236","","","","","","0.988","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019212","13.6977","0.0011","16.9837","0.0017","11.3416","0.0013","90","","93.146","0.01","90","","2634.5","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) perchlorate","","- C26 H24 Cl Cu N7 O4 -","- C26 H24 Cl Cu N7 O4 -","- C104 H96 Cl4 Cu4 N28 O16 -","4","1","FG3305","Potočňák, Ivan; Burčák, Milan; Dušek, Michal","Low-dimensional compounds containing cyanide groups. XXVI. (Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) complexes with tetrafluoroborate and perchlorate anions","Acta Crystallographica Section C","2013","69","11","1357","1361","10.1107/S0108270113027091","","","0.71073","MoKα","","0.0476","0.0309","","","0.0908","0.0943","","","","","","1.06","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019213","9.8498","0.0002","12.9871","0.0003","18.8001","0.0004","83.7705","0.0018","89.3525","0.0018","85.699","0.0017","2383.97","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate","","- C54 H36 Fe N14 O5 -","- C54 H36 Fe N14 O5 -","- C108 H72 Fe2 N28 O10 -","2","1","FG3309","Setifi, Zouaoui; Domasevitch, Konstantin V.; Setifi, Fatima; Mach, Pavel; Ng, Seik Weng; Petříček, Vaclav; Dušek, Michal","Multiple anion···π interactions in tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis[1,1,3,3-tetracyano-2-(2-hydroxyethyl)propenide] monohydrate","Acta Crystallographica Section C","2013","69","11","1351","1356","10.1107/S0108270113027108","","","0.71073","MoKα","","0.0485","0.0387","","","0.09","0.0971","","","","","","1.023","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019214","8.2871","0.0002","30.7094","0.0006","12.1783","0.0002","90","","107.289","0.002","90","","2959.25","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[4-amino-<i>N</i>-(quinoxalin-2-\ yl)benzenesulfonamidato]aquacadmium(II)]-μ-4-amino-<i>N</i>-(quinoxalin-2-\ yl)benzenesulfonamidato]","","- C28 H24 Cd N8 O5 S2 -","- C28 H24 Cd N8 O5 S2 -","- C112 H96 Cd4 N32 O20 S8 -","4","1","FG3310","Zhao, Xiu-Hua; Zhao, Ya-Yun; Zhang, Jie; Pan, Jian-Guo; Li, Xing","Synthesis, crystal structure and fluorescence spectrum of a cadmium(II) sulfaquinoxaline complex","Acta Crystallographica Section C","2013","69","11","1332","1335","10.1107/S010827011302711X","","","1.54184","CuKα","","0.0284","0.0248","","","0.0606","0.0627","","","","","","1.066","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019215","7.9753","0.0011","8.1446","0.0011","11.7776","0.0016","86.829","0.003","81.6","0.003","67.124","0.003","697.29","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","<i>N</i>-(6-Methylpyridin-2-yl)mesitylenesulfonamide","2-Methyl-6-{[(2,4,6-trimethylbenzene)sulfonyl]azanidyl}pyridin-1-ium","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C30 H36 N4 O4 S2 -","2","1","FM3002","Pan, Fangfang; Englert, Ulli","A new polymorph of <i>N</i>-(6-methylpyridin-2-yl)mesitylenesulfonamide","Acta Crystallographica Section C","2013","69","11","1217","1220","10.1107/S0108270113025936","","","0.71073","MoKα","","0.0607","0.0457","","","0.1075","0.1154","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019216","13.662","0.001","12.6329","0.001","13.9651","0.0011","90","","90","","90","","2410.2","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II)","","- C20 H24 Cu N10 O4 S2 -","- C20 H24 Cu N10 O4 S2 -","- C80 H96 Cu4 N40 O16 S8 -","4","1","FM3003","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II): aqua or ammine ligands?","Acta Crystallographica Section C","2013","69","11","1221","1224","10.1107/S0108270113025948","","","0.71073","MoKα","","0.0661","0.0456","","","0.0899","0.1005","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019217","13.7824","0.0011","12.5795","0.001","14.1313","0.0011","90","","90","","90","","2450","0.3","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II)","","- C20 H24 Cu N10 O4 S2 -","- C20 H24 Cu N10 O4 S2 -","- C80 H96 Cu4 N40 O16 S8 -","4","1","FM3003","Pan, Fangfang; Kalf, Irmgard; Englert, Ulli","Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamido]diamminecopper(II): aqua or ammine ligands?","Acta Crystallographica Section C","2013","69","11","1221","1224","10.1107/S0108270113025948","","","0.71073","MoKα","","0.0524","0.0411","","","0.0851","0.0917","","","","","","1.046","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019218","6.1954","0.0004","10.4543","0.0007","14.7654","0.0009","90","","90","","90","","956.33","0.11","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(+)-6-aminopenicillanic acid","(2<i>S</i>,5<i>R</i>,6<i>R</i>)-6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","- C8 H12 N2 O3 S -","- C8 H12 N2 O3 S -","- C32 H48 N8 O12 S4 -","4","1","FM3006","Saouane, Sofiane; Buth, Gernot; Fabbiani, Francesca P. A.","Crystal structure and packing energy calculations of (+)-6-aminopenicillanic acid","Acta Crystallographica Section C","2013","69","11","1238","1242","10.1107/S0108270113025924","","","0.71075","synchrotron","","0.0331","0.0291","","","0.0716","0.0733","","","","","","1.052","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019219","8.233","0.003","11.872","0.004","13.773","0.004","109.61","0.03","95.34","0.03","109.75","0.03","1160.7","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","5,7-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one‒pyridine-4-carboxamide (1/2)","","- C27 H22 N4 O7 -","- C27 H22 N4 O7 -","- C54 H44 N8 O14 -","2","1","FM3012","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","A 1:2 cocrystal of genistein with isonicotinamide: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section C","2013","69","11","1267","1272","10.1107/S0108270113029545","","","0.71073","MoKα","","0.0755","0.055","","","0.1409","0.1504","","","","","","1.007","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019220","6.834","0.002","16.923","0.003","12.531","0.002","90","","104.882","0.005","90","","1400.6","0.5","99.8","","99.8","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Oxo-3-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}propanenitrile","","- C14 H14 N4 O2 S -","- C14 H14 N4 O2 S -","- C56 H56 N16 O8 S4 -","4","1","FM3013","Tatum, Natalie J.; Villemagne, Baptiste; Willand, Nicolas; Deprez, Benoit; Liebeschuetz, John W.; Baulard, Alain R.; Pohl, Ehmke","Structural and docking studies of potent ethionamide boosters","Acta Crystallographica Section C","2013","69","11","1243","1250","10.1107/S0108270113028126","","","1.54188","CuKα","","0.0326","0.0316","","","0.0916","0.1003","","","","","","1.175","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019221","4.828","0.0001","16.1865","0.0005","24.3327","0.0007","90","","90","","90","","1901.56","0.09","99.93","","99.93","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","4,4,4-Trifluoro-1-{4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butanone","","- C19 H19 F3 N4 O3 S -","- C19 H19 F3 N4 O3 S -","- C76 H76 F12 N16 O12 S4 -","4","1","FM3013","Tatum, Natalie J.; Villemagne, Baptiste; Willand, Nicolas; Deprez, Benoit; Liebeschuetz, John W.; Baulard, Alain R.; Pohl, Ehmke","Structural and docking studies of potent ethionamide boosters","Acta Crystallographica Section C","2013","69","11","1243","1250","10.1107/S0108270113028126","","","1.54188","CuKα","","0.0333","0.0298","","","0.0761","0.0788","","","","","","0.979","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019222","10.7027","0.0006","19.853","0.002","9.873","0.002","90","","104.568","0.002","90","","2030.4","0.5","99.85","","99.85","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5,5,5-Trifluoro-1-{4-[3-(4-methanesulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentanone","","- C19 H22 F3 N3 O4 S -","- C19 H22 F3 N3 O4 S -","- C76 H88 F12 N12 O16 S4 -","4","1","FM3013","Tatum, Natalie J.; Villemagne, Baptiste; Willand, Nicolas; Deprez, Benoit; Liebeschuetz, John W.; Baulard, Alain R.; Pohl, Ehmke","Structural and docking studies of potent ethionamide boosters","Acta Crystallographica Section C","2013","69","11","1243","1250","10.1107/S0108270113028126","","","1.54188","CuKα","","0.0498","0.0386","","","0.1163","0.1271","","","","","","0.992","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019223","9.4171","0.0006","9.7604","0.0007","13.7949","0.0009","74.708","0.002","86.102","0.002","65.518","0.002","1111.86","0.13","123","2","123","2","","","","","","","","5","P -1","-P 1","2","Loxapine succinate monohydrate","Bis[4-(2-chlorodibenzo[<i>b</i>,<i>f</i>][1,4]oxazepin-11-yl)-1-methylpiperazin-1-ium] succinate succinic acid monosolvate monohydrate","","- C44 H52 Cl2 N6 O12 -","- C44 H52 Cl2 N6 O12 -","- C44 H52 Cl2 N6 O12 -","1","0.5","FM3014","Bhardwaj, Rajni M.; Johnston, Blair F.; Oswald, Iain D. H.; Florence, Alastair J.","A complementary experimental and computational study of loxapine succinate and its monohydrate","Acta Crystallographica Section C","2013","69","11","1273","1278","10.1107/S0108270113029363","","","0.71073","MoKα","","0.0536","0.0378","","","0.0911","0.0999","","","","","","1.028","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019224","36.1824","0.0005","7.08622","0.00014","18.769","0.0002","90","","113.84","0.001","90","","4401.7","0.12","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Loxapine succinate","4-(2-Chlorodibenzo[<i>b</i>,<i>f</i>][1,4]oxazepin-11-yl)-1-methylpiperazin-1-ium 3-carcoxypropanoate","","- C22 H24 Cl N3 O5 -","- C22 H24 Cl N3 O5 -","- C176 H192 Cl8 N24 O40 -","8","1","FM3014","Bhardwaj, Rajni M.; Johnston, Blair F.; Oswald, Iain D. H.; Florence, Alastair J.","A complementary experimental and computational study of loxapine succinate and its monohydrate","Acta Crystallographica Section C","2013","69","11","1273","1278","10.1107/S0108270113029363","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","2.198","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019225","16.3604","0.0013","7.7452","0.0006","14.3658","0.0009","90","","100.911","0.003","90","","1787.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(2-methylpyridinium) bromanilate","Bis(2-picolinium) bromanilate","","- C18 H16 Br2 N2 O4 -","- C18 H16 Br2 N2 O4 -","- C72 H64 Br8 N8 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0589","0.0331","","","","0.0803","","","","","","0.999","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019226","8.9526","0.0007","9.6149","0.0008","10.4275","0.0008","90","","103.935","0.004","90","","871.17","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(3-methylpyridinium) bromanilate","Bis(3-picolinium) bromanilate","","- C18 H16 Br2 N2 O4 -","- C18 H16 Br2 N2 O4 -","- C36 H32 Br4 N4 O8 -","2","0.5","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0288","0.0232","","","","0.0606","","","","","","1.081","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019227","8.1345","0.0008","6.1517","0.0006","17.7868","0.0017","90","","96.177","0.007","90","","884.9","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(4-methylpyridinium) bromanilate","Bis(4-picolinium) bromanilate","","- C18 H16 Br2 N2 O4 -","- C18 H16 Br2 N2 O4 -","- C36 H32 Br4 N4 O8 -","2","0.5","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0528","0.0336","","","","0.0872","","","","","","1.063","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019228","8.2948","0.0002","12.156","0.0004","13.9544","0.0005","90","","102.966","0.002","90","","1371.17","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4-Lutidinium bromanilate","2,4-Dimethylpyridinium bromanilate","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0539","0.0316","","","","0.0809","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019229","7.7357","0.0004","11.1416","0.0006","15.8011","0.0009","90","","94.269","0.003","90","","1358.09","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,5-Lutidinium bromanilate","2,5-Dimethylpyridinium bromanilate","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0913","0.0432","","","","0.1013","","","","","","1.025","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019230","11.6766","0.0005","10.4926","0.0005","11.5221","0.0005","90","","98.834","0.002","90","","1394.92","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3,5-Lutidinium bromanilate","3,5-Dimethylpyridinium bromanilate","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0395","0.0271","","","","0.0666","","","","","","1.05","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019231","10.2229","0.0004","5.576","0.0002","24.53","0.0009","90","","95.802","0.003","90","","1391.12","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-4-methylpyridinium bromanilate","","- C12 H8 Br3 N O4 -","- C12 H8 Br3 N O4 -","- C48 H32 Br12 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0739","0.0412","","","","0.1013","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019232","4.9786","0.0004","23.181","0.003","12.2811","0.0013","90","","100.794","0.003","90","","1392.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,3-Lutidinium bromanilate","2,3-Dimethylpyridinium bromanilate","","- C13 H11 Br2 N O4 -","- C13 H11 Br2 N O4 -","- C52 H44 Br8 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0425","0.0281","","","","0.065","","","","","","1.024","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019233","5.2866","0.0003","13.3814","0.0008","20.3576","0.0013","90","","91.556","0.004","90","","1439.61","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Bromo-3-methylpyridine‒bromanilic acid (1/1)","","- C12 H8 Br3 N O4 -","- C12 H8 Br3 N O4 -","- C48 H32 Br12 N4 O16 -","4","1","FM3015","Thomas, Lynne H.; Adam, Martin S.; O'Neill, Andrew; Wilson, Chick C.","Utilizing proton transfer to produce molecular salts in bromanilic acid substituted-pyridine molecular complexes ‒ predictable synthons?","Acta Crystallographica Section C","2013","69","11","1279","1288","10.1107/S0108270113029533","","","0.71073","MoKα","","0.0714","0.0393","","","","0.0861","","","","","","1.032","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019234","9.092","0.004","29.484","0.012","9.093","0.004","90","","117.04","0.05","90","","2171.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[diaqua[1,2-bis(pyridin-4-yl)ethylene][μ~3~-3-carboxy-\ 5-(carboxylatomethoxy)benzoato]manganese(II)]","","- C22 H20 Mn N2 O9 -","- C22 H20 Mn N2 O9 -","- C88 H80 Mn4 N8 O36 -","4","1","FN3147","Lei, Yong-Qian; Wang, Guan-Hua","A two-dimensional network containing an ‒Mn—O—C—O—Mn‒ chain: poly[diaqua[1,2-bis(pyridin-4-yl)ethylene][μ~3~-3-carboxy-5-(carboxylatomethoxy)benzoato]manganese(II)]","Acta Crystallographica Section C","2013","69","11","1311","1313","10.1107/S0108270113025377","","","0.71073","MoKα","","0.1199","0.0734","","","0.1253","0.142","","","","","","1.107","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019235","6.2966","0.0006","25.416","0.004","11.7111","0.0013","90","","90.162","0.008","90","","1874.2","0.4","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","kga1-101-cp. batch 1","1-(1-Hydroxycyclopent-3-en-1-yl)cyclopent-3-ene-1-carbonitrile","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","2","FN3151","Andrews, Keith G.; Frampton, Christopher S.; Spivey, Alan C.","Structural assignment of a bis-cyclopentenyl-β-cyanohydrin formed <i>via</i> alkene metathesis from either a triene or a tetraene precursor","Acta Crystallographica Section C","2013","69","11","1207","1211","10.1107/S010827011302492X","","","1.54178","CuKα","","0.056","0.0447","","","0.1277","0.1413","","","","","","1.007","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019236","8.1142","0.0019","11.94","0.003","16.16","0.004","77.797","0.004","84.782","0.004","88.231","0.004","1523.8","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","μ-1,2-Bis(pyridin-3-yloxy)ethane-κ^2^<i>N</i>:<i>N</i>'-bis[aqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)copper(II)] tetrahydrate","","- C26 H30 Cu2 N4 O16 -","- C26 H30 Cu2 N4 O16 -","- C52 H60 Cu4 N8 O32 -","2","1","FN3155","Ge, Jing-Yuan; Wang, Peng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","A well-resolved cyclic water tetramer in a dinuclear Cu^II^ coordination complex based on 1,2-bis(pyridin-3-yloxy)ethane and capped by pyridine-2,6-dicarboxylic acid","Acta Crystallographica Section C","2013","69","11","1362","1366","10.1107/S0108270113027996","","","0.71073","MoKα","","0.0875","0.0525","","","0.0866","0.0967","","","","","","1.001","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019237","5.5673","0.0007","15.7196","0.0019","18.125","0.002","90","","97.641","0.004","90","","1572.1","0.3","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Carbamazepine mesylate","[(5<i>H</i>-Dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)(hydroxy)methylidene]azanium methanesulfonate","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C64 H64 N8 O16 S4 -","4","1","KY3042","Eberlin, Alex R.; Eddleston, Mark D.; Frampton, Christopher S.","Methanesulfonic acid salt forms of carbamazepine and 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2013","69","11","1260","1266","10.1107/S010827011302859X","","","0.71073","MoKα","","0.0493","0.0365","","","0.0922","0.0981","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019238","5.4477","0.0002","15.734","0.0007","18.5034","0.0008","90","","96.647","0.004","90","","1575.34","0.11","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","9,10-Dihydrocarbamazepine mesylate","[(9,10-Dihydro-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepin-5-yl)(hydroxy)methylidene]azanium methanesulfonate","","- C16 H18 N2 O4 S -","- C16 H18 N2 O4 S -","- C64 H72 N8 O16 S4 -","4","1","KY3042","Eberlin, Alex R.; Eddleston, Mark D.; Frampton, Christopher S.","Methanesulfonic acid salt forms of carbamazepine and 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2013","69","11","1260","1266","10.1107/S010827011302859X","","","0.71073","MoKα","","0.0394","0.0324","","","0.084","0.0896","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019239","14.9968","0.0012","5.266","0.0003","20.1911","0.0012","90","","102.191","0.007","90","","1558.6","0.18","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Carbamazepine-trifluoroacetic acid (1/1)","Dibenzo[<i>b</i>,<i>f</i>]azepine-5-carboxamide‒trifluoroacetic acid (1/1)","","- C17 H13 F3 N2 O3 -","- C17 H13 F3 N2 O3 -","- C68 H52 F12 N8 O12 -","4","1","KY3042","Eberlin, Alex R.; Eddleston, Mark D.; Frampton, Christopher S.","Methanesulfonic acid salt forms of carbamazepine and 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2013","69","11","1260","1266","10.1107/S010827011302859X","","","1.54178","CuKα","","0.05","0.0469","","","0.1327","0.1368","","","","","","1.006","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019240","14.997","0.0003","5.3712","0.0001","20.4441","0.0004","90","","101.529","0.002","90","","1613.58","0.06","270","1","270","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Carbamazepine‒trifluoroacetic acid (1/1)","Dibenzo[<i>b</i>,<i>f</i>]azepine-5-carboxamide‒trifluoroacetic acid (1/1)","","- C17 H13 F3 N2 O3 -","- C17 H13 F3 N2 O3 -","- C68 H52 F12 N8 O12 -","4","1","KY3042","Eberlin, Alex R.; Eddleston, Mark D.; Frampton, Christopher S.","Methanesulfonic acid salt forms of carbamazepine and 10,11-dihydrocarbamazepine","Acta Crystallographica Section C","2013","69","11","1260","1266","10.1107/S010827011302859X","","","1.54178","CuKα","","0.0538","0.0498","","","0.1487","0.1547","","","","","","1.003","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019241","30.2701","0.0008","5.6712","0.0002","14.2997","0.0003","90","","108.167","0.002","90","","2332.43","0.12","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis(4-methylanilinium) pentamolybdate","Poly[bis(4-methylanilinium) [tetra-μ~3~-oxido-hexa-μ~2~-oxido-hexaoxidopentamolybdenum(VI)]]","","- C14 H20 Mo5 N2 O16 -","- C14 H20 Mo5 N2 O16 -","- C56 H80 Mo20 N8 O64 -","4","0.5","LG3125","Oszajca, Marcin; Smrčok, Ľubomír; Łasocha, Wiesław","Bis(4-methylanilinium) and bis(4-iodoanilinium) pentamolybdates from laboratory X-ray powder data and total energy minimization","Acta Crystallographica Section C","2013","69","11","1367","1372","10.1107/S010827011302845X","powder diffraction","","1.5418","CuKα","","0.0359","0.0358","","0.0456","0.0456","","","","3.31","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019242","32.284","0.002","5.6274","0.0003","14.3066","0.0008","90","","104.329","0.005","90","","2518.3","0.3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4-Iodoanilinium pentamolybdate","Poly[bis(4-iodoanilinium) [tetra-μ~3~-oxido-hexa-μ~2~-oxido-hexaoxidopentamolybdenum(VI)]]","","- C12 H14 I2 Mo5 N2 O16 -","- C12 H14 I2 Mo5 N2 O16 -","- C48 H56 I8 Mo20 N8 O64 -","4","0.5","LG3125","Oszajca, Marcin; Smrčok, Ľubomír; Łasocha, Wiesław","Bis(4-methylanilinium) and bis(4-iodoanilinium) pentamolybdates from laboratory X-ray powder data and total energy minimization","Acta Crystallographica Section C","2013","69","11","1367","1372","10.1107/S010827011302845X","powder diffraction","","1.78992","CoKα1","","0.048","0.0474","","0.0505","0.0503","","","","1.32","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019243","6.3744","0.001","11.961","0.002","21.041","0.003","90","","90","","90","","1604.3","0.4","92","2","92","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","glabridin","4-[(3<i>R</i>)-8,8-Dimethyl-3,4-dihydro-2<i>H</i>-pyrano[2,3-<i>f</i>]chromen-3-yl]benzene-1,3-diol","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","LN3162","Simmler, Charlotte; Fronczek, Frank R.; Pauli, Guido F.; Santarsiero, Bernard D.","Absolute configuration of naturally occurring glabridin","Acta Crystallographica Section C","2013","69","11","1212","1216","10.1107/S0108270113018842","","","1.54184","CuKα","","0.0282","0.0255","","","0.0599","0.0614","","","","","","1.026","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019244","6.2876","0.0003","10.7132","0.0005","6.7764","0.0003","90","","111.143","0.001","90","","425.73","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1-Acetylpyrrolidine-2-carboxylic acid monohydrate","<i>N</i>-Acetyl-<i>L</i>-proline monohydrate","","- C7 H13 N O4 -","- C7 H13 N O4 -","- C14 H26 N2 O8 -","2","1","MX3104","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular architectures of <i>N</i>-acetyl-<small>L</small>-proline monohydrate and <i>N</i>-benzyl-<small>L</small>-proline","Acta Crystallographica Section C","2013","69","11","1390","1396","10.1107/S010827011302581X","","","0.71073","MoKα","","0.032","0.0249","","","0.0667","0.069","","","","","","1.089","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019245","8.7552","0.0007","10.6254","0.0008","11.2816","0.0008","90","","93.737","0.002","90","","1047.27","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>-Benzyl-<i>L</i>-proline","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","2","MX3104","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","Supramolecular architectures of <i>N</i>-acetyl-<small>L</small>-proline monohydrate and <i>N</i>-benzyl-<small>L</small>-proline","Acta Crystallographica Section C","2013","69","11","1390","1396","10.1107/S010827011302581X","","","0.71073","MoKα","","0.0375","0.0332","","","0.0867","0.0902","","","","","","1.101","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019246","15.4385","0.0006","6.1475","0.0002","8.7281","0.0003","90","","105.029","0.002","90","","800.03","0.05","116","2","116","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione","","- C20 H18 O6 -","- C20 H18 O6 -","- C40 H36 O12 -","2","0.5","MX3105","Nye, Luke; Turnbull, Mark M.; Wikaira, Jan L.","3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione, its 4-methylphenyl analogue, and a potassium salt of 2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid","Acta Crystallographica Section C","2013","69","11","1317","1321","10.1107/S0108270113025973","","","0.71073","MoKα","","0.0466","0.043","","","0.1106","0.1131","","","","","","1.12","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019247","14.771","0.0006","6.1622","0.0002","8.6184","0.0003","90","","91.896","0.002","90","","784.03","0.05","116","2","116","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydroxy-1,6-bis(4-methylphenyl)hexa-2,4-diene-1,6-dione","","- C20 H18 O4 -","- C20 H18 O4 -","- C40 H36 O8 -","2","0.5","MX3105","Nye, Luke; Turnbull, Mark M.; Wikaira, Jan L.","3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione, its 4-methylphenyl analogue, and a potassium salt of 2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid","Acta Crystallographica Section C","2013","69","11","1317","1321","10.1107/S0108270113025973","","","0.71073","MoKα","","0.0716","0.0672","","","0.1486","0.1511","","","","","","1.248","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019248","15.3832","0.0004","6.3481","0.0001","21.1606","0.0005","90","","90.582","0.001","90","","2066.31","0.08","116","2","116","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-poly[[μ~2~-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoato-κ^2^<i>O</i>^1^,<i>O</i>^2^][μ~2~-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid-κ<i>O</i>^1^]potassium]","","- C22 H19 K O10 -","- C22 H19 K O10 -","- C88 H76 K4 O40 -","4","1","MX3105","Nye, Luke; Turnbull, Mark M.; Wikaira, Jan L.","3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione, its 4-methylphenyl analogue, and a potassium salt of 2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid","Acta Crystallographica Section C","2013","69","11","1317","1321","10.1107/S0108270113025973","","","0.71073","MoKα","","0.0368","0.0322","","","0.0868","0.0903","","","","","","1.057","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019249","7.633","0.0009","22.831","0.003","12.5639","0.0012","90","","124.061","0.005","90","","1813.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[4-aminopyridinium [diaqua[μ~3~-5-(carboxylatomethoxy)benzene-1,3-dicarboxylato]cadmium(II)] dihydrate]","","- C15 H20 Cd N2 O11 -","- C15 H20 Cd N2 O11 -","- C60 H80 Cd4 N8 O44 -","4","1","MX3108","Wang, Peng; Zhao, Ying; Chen, Yong; Kou, Xiao-Yan","A novel one-dimensional tubular cadmium(II) coordination polymer based on 5-(carboxylatomethoxy)benzene-1,3-dicarboxylate containing 4-aminopyridinium ions","Acta Crystallographica Section C","2013","69","11","1340","1343","10.1107/S0108270113026292","","","0.71073","MoKα","","0.0299","0.0268","","","0.0592","0.0605","","","","","","1.059","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019250","5.7235","0.0011","27.444","0.006","21.287","0.004","90","","95.6","0.03","90","","3327.7","1.2","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~6~-2-(4-{1-[4-(carboxymethoxy)phenyl]-1-methylethyl}phenoxy)acetato][μ~4~-2-(4-{1-[4-(carboxymethoxy)phenyl]-1-methylethyl}phenoxy)acetato]disodium(I)]","","- C19 H19 Na O6 -","- C19 H19 Na O6 -","- C152 H152 Na8 O48 -","8","2","OV3036","Huang, Qiu-Ying; Liu, Chun-Li; Zhou, Zi-Peng","Two sodium(I) coordination polymers constructed by the V-shaped ligands 2,2'-[isopropylidenebis(1,4-phenyleneoxy)]diacetic acid and 2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetic acid","Acta Crystallographica Section C","2013","69","11","1322","1327","10.1107/S0108270113026450","","","0.71073","MoKα","","0.0935","0.0491","","","0.1112","0.1345","","","","","","1.022","","","","has coordinates","183154","2020-10-21","18:00:00",""
"2019251","8.098","0.0013","8.382","0.0014","15.291","0.002","75.492","0.001","87.242","0.002","86.712","0.003","1002.6","0.3","295","","295","","","","","","","","","5","P 1","P 1","1","","Poly[hexa-μ-aqua-diaquabis{μ~3~-2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetato}tetrasodium(I)]","","- C16 H20 Na2 O12 S -","- C16 H20 Na2 O12 S -","- C32 H40 Na4 O24 S2 -","2","2","OV3036","Huang, Qiu-Ying; Liu, Chun-Li; Zhou, Zi-Peng","Two sodium(I) coordination polymers constructed by the V-shaped ligands 2,2'-[isopropylidenebis(1,4-phenyleneoxy)]diacetic acid and 2,2'-[sulfonylbis(1,4-phenyleneoxy)]diacetic acid","Acta Crystallographica Section C","2013","69","11","1322","1327","10.1107/S0108270113026450","","","0.71073","MoKα","","0.0627","0.0505","","","0.1193","0.1293","","","","","","1.039","","","","has coordinates","183154","2020-10-21","18:00:00",""
"2019252","9.3167","0.0003","10.1345","0.0003","19.4988","0.0006","88.344","0.001","88.179","0.001","67.092","0.005","1694.75","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-acetato-κ^2^<i>O</i>:<i>O</i>;κ^2^<i>O</i>:<i>O</i>'-bis[(6-chloro-2-{(<i>E</i>)-[(pyridin-2-yl)methylimino]methyl}phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>)dizinc(II)]","","- C31 H27 Cl5 N4 O6 Zn2 -","- C31 H27 Cl5 N4 O6 Zn2 -","- C62 H54 Cl10 N8 O12 Zn4 -","2","1","OV3038","Kim, Young-Inn; Lee, Jin Young; Song, Young-Kwang; Kang, Sung Kwon","Different Zn^II^ cation coordination geometries in di-μ-acetato-bis{2-chloro-6-[(pyridine-2-ylmethylimino)methyl]phenol}dizinc(II) chloroform monosolvate","Acta Crystallographica Section C","2013","69","11","1348","1350","10.1107/S0108270113027212","","","0.71073","MoKα","","0.0508","0.0325","","","","0.0748","","","","","","1.021","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019253","11.4579","0.0002","9.83146","0.00018","13.8027","0.0003","90","","95.6581","0.001","90","","1547.27","0.05","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","(<i>S</i>)-2-(Hydroxymethyl)pyrrolidin-1-ium (5<i>R</i>,6<i>S</i>,11<i>R</i>,12<i>S</i>)-8-carboxy-5,6,11,12-tetrahydro-5,12:6,11-bis([1,2]benzeno)dibenzo[<i>a</i>,<i>e</i>][8]annulene-2-carboxylate dichloromethane monosolvate","(<i>S</i>)-2-(Hydroxymethyl)pyrrolidin-1-ium 5-carboxyheptacyclo[8.6.6.6^2,9^.0^3,8^.0^11,16^.0^17,22^.0^23,28^]octacosa-2,4,6,8,11(16),12,14,17(22),18,20,23(28),24,26-tridecaene-13-carboxylate dichloromethane monosolvate","","- C36 H33 Cl2 N O5 -","- C36 H33 Cl2 N O5 -","- C72 H66 Cl4 N2 O10 -","2","1","SK3506","Kawanami, Yuko; Tanaka, Hidekazu; Mizoguchi, Jun-ichi; Kanehisa, Nobuko; Fukuhara, Gaku; Nishijima, Masaki; Mori, Tadashi; Inoue, Yoshihisa","Absolute configuration determination of the <i>anti</i>-head-to-head photocyclodimer of anthracene-2-carboxylic acid through cocrystallization with <small>L</small>-prolinol","Acta Crystallographica Section C","2013","69","11","1411","1413","10.1107/S0108270113028461","","","1.54187","CuKα","","","0.0504","","","","0.1371","","","","","","1.075","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019254","7.5434","0.0006","13.002","0.0014","10.513","0.0009","90","","92.728","0.007","90","","1029.94","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Aminouracil dimethylacetamide monosolvate","","- C8 H14 N4 O3 -","- C8 H14 N4 O3 -","- C32 H56 N16 O12 -","4","1","UK3082","Gerhardt, Valeska; Bolte, Michael","Three new pseudopolymorphs of 6-aminouracil","Acta Crystallographica Section C","2013","69","11","1402","1407","10.1107/S0108270113028874","","","0.71073","MoKα","","0.0774","0.0642","","","0.1671","0.1773","","","","","","1.041","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019255","7.12","0.0007","21.882","0.003","13.1561","0.0014","90","","92.908","0.008","90","","2047.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Aminouracil dimethylacetamide monosolvate","","- C8 H14 N4 O3 -","- C8 H14 N4 O3 -","- C64 H112 N32 O24 -","8","2","UK3082","Gerhardt, Valeska; Bolte, Michael","Three new pseudopolymorphs of 6-aminouracil","Acta Crystallographica Section C","2013","69","11","1402","1407","10.1107/S0108270113028874","","","0.71073","MoKα","","0.1236","0.0624","","","0.1457","0.1685","","","","","","0.984","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019256","7.5767","0.0014","21.889","0.003","7.1356","0.0011","90","","117.312","0.012","90","","1051.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Aminouracil 1-methylpyrrolidin-2-one monosolvate","","- C9 H14 N4 O3 -","- C9 H14 N4 O3 -","- C36 H56 N16 O12 -","4","1","UK3082","Gerhardt, Valeska; Bolte, Michael","Three new pseudopolymorphs of 6-aminouracil","Acta Crystallographica Section C","2013","69","11","1402","1407","10.1107/S0108270113028874","","","0.71073","MoKα","","0.0822","0.0614","","","0.1629","0.1744","","","","","","1.08","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019257","6.7298","0.0004","11.4266","0.0007","15.2522","0.001","90","","102.292","0.001","90","","1145.99","0.12","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Triaquatris(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylato)neodymium(III) trihydrate","","- C15 H21 N6 Nd O18 -","- C15 H21 N6 Nd O18 -","- C30 H42 N12 Nd2 O36 -","2","1","UK3083","Atria, Ana María; Garland, Maria Teresa; Baggio, Ricardo","A dense hydrogen-bonding network and an unusually large packing index in triaquatris(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylato)neodymium(III) trihydrate","Acta Crystallographica Section C","2013","69","11","1378","1382","10.1107/S0108270113027881","","","0.71073","MoKα","","0.0217","0.0206","","","0.0461","0.0467","","","","","","0.986","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019258","10.785","0.002","10.1308","0.0019","8.91","0.003","90","","111.01","0.03","90","","908.8","0.4","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~4~-1-(2-carboxylatoethyl)-6-oxo-9<i>H</i>-purin-9-ido]zinc(II)]","","- C8 H6 N4 O3 Zn -","- C8 H6 N4 O3 Zn -","- C32 H24 N16 O12 Zn4 -","4","1","WQ3044","Ma, Wen-Juan; Li, Guo-Ting","The purine‒carboxylate-containing coordination polymer poly[[μ~4~-1-(2-carboxylatoethyl)-6-oxo-6,9-dihydro-1<i>H</i>-purin-9-ido]zinc(II)]","Acta Crystallographica Section C","2013","69","11","1314","1316","10.1107/S0108270113025614","","","0.71073","MoKα","","0.0645","0.0439","","","0.105","0.1108","","","","","","0.992","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2019259","7.744","0.002","8.745","0.002","8.812","0.002","84.933","0.004","89.017","0.004","88.148","0.004","594.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[cadmium(II)-μ~3~-{2-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-yl]butanedioato}]","","- C12 H9 Cd N3 O4 -","- C12 H9 Cd N3 O4 -","- C24 H18 Cd2 N6 O8 -","2","1","WQ3045","Cai, Hua; Guo, Ying; Li, Jian-Gang","A one-dimensional coordination polymer created <i>via in situ</i> ligand synthesis involving C—N bond formation","Acta Crystallographica Section C","2013","69","11","1307","1310","10.1107/S010827011302475X","","","0.71073","MoKα","","0.0266","0.0216","","","0.0519","0.0543","","","","","","1.051","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019260","12.1571","0.0003","18.1138","0.0004","9.637","0.0004","90","","113.405","0.001","90","","1947.56","0.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Poly[[hexaaqua(μ~4~-benzene-1,2,4,5-tetracarboxylato)dicopper(II)] tetrahydrate]","","- C10 H22 Cu2 O18 -","- C5 H7 Cu O7 -","- C40 H56 Cu8 O56 -","8","1","YF3042","Cancino, Patricio; Spodine, Evgenia; Paredes-García, Verónica; Venegas-Yazigi, Diego; Vega, Andrés","The layered structure of poly[[hexaaqua(μ~4~-benzene-1,2,4,5-tetracarboxylato)dicopper(II)] tetrahydrate]","Acta Crystallographica Section C","2013","69","11","1344","1347","10.1107/S0108270113026620","","","0.71073","MoKα","","0.0314","0.0294","","","0.0814","0.0826","","","","","","1.082","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019261","12.5649","0.0003","15.9508","0.0004","13.3525","0.0003","90","","101.335","0.001","90","","2623.91","0.11","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{μ-2-[(2-oxidobenzylidene)amino]ethan-1-olato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'}{2-[(2-oxidobenzylidene)amino]ethan-1-olato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}trivinylditin(IV)","","- C24 H27 Cl N2 O4 Sn2 -","- C24 H27 Cl N2 O4 Sn2 -","- C96 H108 Cl4 N8 O16 Sn8 -","4","1","YP3047","Schwarzer, Anke; Paul, Lydia E. H.; Böhme, Uwe","Enantiotropic phase transition in a binuclear tin complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate ligand","Acta Crystallographica Section C","2013","69","11","1336","1339","10.1107/S0108270113027194","","","0.71073","MoKα","","0.0647","0.0338","","","0.0687","0.0823","","","","","","1.029","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019262","13.2848","0.0003","15.7966","0.0004","25.7287","0.0006","90","","109.176","0.001","90","","5099.7","0.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Chlorido{μ-2-[(2-oxidobenzylidene)amino]ethan-1-olato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'}{2-[(2-oxidobenzylidene)amino]ethan-1-olato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}trivinylditin(IV)","","- C24 H27 Cl N2 O4 Sn2 -","- C24 H27 Cl N2 O4 Sn2 -","- C192 H216 Cl8 N16 O32 Sn16 -","8","2","YP3047","Schwarzer, Anke; Paul, Lydia E. H.; Böhme, Uwe","Enantiotropic phase transition in a binuclear tin complex with an <i>O</i>,<i>N</i>,<i>O</i>'-tridentate ligand","Acta Crystallographica Section C","2013","69","11","1336","1339","10.1107/S0108270113027194","","","0.71073","MoKα","","0.0479","0.0327","","","0.0611","0.0658","","","","","","1.091","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019263","18.537","0.004","16.886","0.003","8.3534","0.0017","90","","101.26","0.03","90","","2564.4","0.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[aqua{μ~2~-1,4-bis[2-(pyridin-4-yl)ethenyl]benzene-κ^2^<i>N</i>:<i>N</i>'}[μ~4~-2,2'-(1,4-phenylene)diacetato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']cadmium(II)]","","- C30 H26 Cd N2 O5 -","- C30 H26 Cd N2 O5 -","- C120 H104 Cd4 N8 O20 -","4","0.5","YP3048","Wang, Jun-Feng; Guo, Wen-Jing; Deng, Fan-Zheng","A fivefold interpenetrating diamondoid framework constructed by flexible dipyridyl and dicarboxylate ligands","Acta Crystallographica Section C","2013","69","11","1328","1331","10.1107/S0108270113027182","","","0.71073","MoKα","","0.0376","0.0324","","","0.0746","0.0767","","","","","","1.135","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019264","10.9122","0.0016","5.0428","0.0007","17.279","0.003","90","","93.284","0.002","90","","949.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(2-(pyridin-2-yl)ethyl)methanesulfonamide","<i>N</i>-[2-(pyridin-2-yl)ethyl]methanesulfonamide","","- C8 H12 N2 O2 S -","- C8 H12 N2 O2 S -","- C32 H48 N8 O8 S4 -","4","1","YP3050","Jacobs, Danielle L.; Chan, Benny C.; O'Connor, Abby R.","<i>N</i>-[2-(Pyridin-2-yl)ethyl]-derivatives of methane-, benzene- and toluenesulfonamide: prospective ligands for metal coordination","Acta Crystallographica Section C","2013","69","11","1397","1401","10.1107/S0108270113025341","","","0.71073","MoKα","","0.0554","0.0391","","","0.094","0.1031","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019265","5.492","0.0007","9.4328","0.0011","24.569","0.003","90","","95.651","0.002","90","","1266.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(2-(pyridin-2-yl)ethyl)benzenesulfonamide","<i>N</i>-[2-(pyridin-2-yl)ethyl]benzenesulfonamide","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","YP3050","Jacobs, Danielle L.; Chan, Benny C.; O'Connor, Abby R.","<i>N</i>-[2-(Pyridin-2-yl)ethyl]-derivatives of methane-, benzene- and toluenesulfonamide: prospective ligands for metal coordination","Acta Crystallographica Section C","2013","69","11","1397","1401","10.1107/S0108270113025341","","","0.71073","MoKα","","0.0924","0.0461","","","0.0793","0.0903","","","","","","1.081","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019266","7.6869","0.0005","15.7109","0.001","22.6742","0.0014","90","","90","","90","","2738.3","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","<i>N</i>-(2-(pyridin-2-yl)ethyl)toluensulfonamide","<i>N</i>-[2-(pyridin-2-yl)ethyl]toluenesulfonamide","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","1","YP3050","Jacobs, Danielle L.; Chan, Benny C.; O'Connor, Abby R.","<i>N</i>-[2-(Pyridin-2-yl)ethyl]-derivatives of methane-, benzene- and toluenesulfonamide: prospective ligands for metal coordination","Acta Crystallographica Section C","2013","69","11","1397","1401","10.1107/S0108270113025341","","","0.71073","MoKα","","0.056","0.0403","","","0.1031","0.1088","","","","","","1.034","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019267","6.6783","0.0003","10.8766","0.0006","11.2276","0.0006","100.668","0.002","101.049","0.002","101.917","0.002","761.43","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Gaboxadol hydrochloride","3-Hydroxy-4,5,6,7-tetrahydro-1,2-oxazolo[5,4-<i>c</i>]pyridin-6-ium chloride","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C24 H36 Cl4 N8 O8 -","4","2","FM3008","Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D.","Enantiotropically related polymorphs of gaboxadol hydrochloride","Acta Crystallographica Section C","2013","69","11","1234","1237","10.1107/S0108270113025961","","","0.71073","MoKα","","0.0612","0.0393","","","0.1044","0.1146","","","","","","1.03","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019268","13.1489","0.0005","6.578","0.0002","17.0721","0.0009","90","","90.42","0.001","90","","1476.59","0.11","220","2","220","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","Gaboxadol hydrochloride","3-Hydroxy-4,5,6,7-tetrahydro-1,2-oxazolo[5,4-<i>c</i>]pyridin-6-ium chloride","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C48 H72 Cl8 N16 O16 -","8","1","FM3008","Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D.","Enantiotropically related polymorphs of gaboxadol hydrochloride","Acta Crystallographica Section C","2013","69","11","1234","1237","10.1107/S0108270113025961","","","0.71073","MoKα","","0.0349","0.0264","","","0.0719","0.0751","","","","","","1.073","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019269","13.6018","","6.6783","","17.0168","","89.683","","92.077","","99.652","","1522.87","","","","","","","","","","","","","5","I -1","-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)","2","Gaboxadol hydrochloride","4,5,6,7-Tetrahydroisoxazolo[5,4-c]pyridin-3-ol hydrochloride","","- C6 H9 Cl N2 O2 -","- C6 H9 Cl N2 O2 -","- C48 H72 Cl8 N16 O16 -","8","","FM3008","Lopez de Diego, Heidi; Koradia, Vishal; Bond, Andrew D.","Enantiotropically related polymorphs of gaboxadol hydrochloride","Acta Crystallographica Section C","2013","69","11","1234","1237","10.1107/S0108270113025961","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019270","7.3496","0.0016","14.419","0.003","8.57","0.003","90","","113.44","0.02","90","","833.2","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","magnesium chloride dodecahydrate","Magnesium chloride dodecahydrate","","- Cl2 H24 Mg O12 -","- Cl2 H24 Mg O12 -","- Cl4 H48 Mg2 O24 -","2","0.5","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0536","0.0478","","","0.1316","0.1408","","","","","","1.044","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019271","11.835","0.004","6.4341","0.0014","16.29","0.004","90","","92.04","0.03","90","","1239.7","0.6","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","magnesium bromide nonahydrate","Magnesium dibromide nonahydrate","","- Br2 H18 Mg O9 -","- Br2 H18 Mg O9 -","- Br8 H72 Mg4 O36 -","4","0.5","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0336","0.0293","","","0.0709","0.0718","","","","","","1.039","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019272","15.0768","0.0013","6.6334","0.0003","16.7964","0.0015","90","","125.447","0.006","90","","1368.5","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","magnesium iodide nonahydrate","Magnesium diiodide nonahydrate","","- H18 I2 Mg O9 -","- H18 I2 Mg O9 -","- H72 I8 Mg4 O36 -","4","1","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0353","0.0289","","","0.0954","0.0998","","","","","","1.02","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019273","11.9153","0.0003","6.7482","0.0004","13.6052","0.0005","90","","90","","90","","1093.95","0.08","230","","230","","","","","","","","","4","P c a b","-P 2bc 2ac","61","magnesium chloride octahydrate","Magnesium dichloride octahydrate","","- Cl2 H16 Mg O8 -","- Cl2 H16 Mg O8 -","- Cl8 H64 Mg4 O32 -","4","0.5","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0373","0.025","","","0.0508","0.0547","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019274","10.2299","0.0016","7.2642","0.0009","6.1964","0.0009","90","","93.025","0.012","90","","459.83","0.11","150","","150","","","","","","","","","4","C 1 2/m 1","-C 2y","12","magnesium bromide hexahydrate","Magnesium dibromide hexahydrate","","- Br2 H12 Mg O6 -","- Br2 H12 Mg O6 -","- Br4 H24 Mg2 O12 -","2","0.25","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0379","0.0377","","","0.119","0.1192","","","","","","1.159","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019275","8.5256","0.0007","15.698","0.0017","9.8671","0.0012","90","","90","","90","","1320.6","0.2","200","","200","","","","","","","","","4","C m c a","-C 2ac 2","64","magnesium iodide octahydrate","Magnesium diiodide octahydrate","","- H16 I2 Mg O8 -","- H16 I2 Mg O8 -","- H64 I8 Mg4 O32 -","4","","QS3030","Hennings, Erik; Schmidt, Horst; Voigt, Wolfgang","Crystal structures of hydrates of simple inorganic salts. I. Water-rich magnesium halide hydrates MgCl~2~·8H~2~O, MgCl~2~·12H~2~O, MgBr~2~·6H~2~O, MgBr~2~·9H~2~O, MgI~2~·8H~2~O and MgI~2~·9H~2~O","Acta Crystallographica Section C","2013","69","11","1292","1300","10.1107/S0108270113028138","","","0.71073","MoKα","","0.0257","0.0224","","","0.052","0.0531","","","","","","1.022","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019276","12.7258","0.0014","14.4642","0.0016","4.4683","0.0011","90","","92.528","0.017","90","","821.7","0.2","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<i>L</i>-glutamate","","- C15 H22 N2 O6 -","- C15 H22 N2 O6 -","- C30 H44 N4 O12 -","2","1","CU3043","Chernyshev, Vladimir V.; Efimov, Sergey Y.; Paseshnichenko, Ksenia A.; Shiryaev, Andrey A.","Two polymorphs of 2-ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<small>L</small>-glutamate from powder diffraction data","Acta Crystallographica Section C","2013","69","12","1549","1552","10.1107/S0108270113031557","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.0112","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019277","27.821","0.002","12.0939","0.0015","4.9917","0.0013","90","","90","","90","","1679.5","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<i>L</i>-glutamate","","- C15 H22 N2 O6 -","- C15 H22 N2 O6 -","- C60 H88 N8 O24 -","4","1","CU3043","Chernyshev, Vladimir V.; Efimov, Sergey Y.; Paseshnichenko, Ksenia A.; Shiryaev, Andrey A.","Two polymorphs of 2-ethyl-3-hydroxy-6-methylpyridinium hydrogen <i>N</i>-acetyl-<small>L</small>-glutamate from powder diffraction data","Acta Crystallographica Section C","2013","69","12","1549","1552","10.1107/S0108270113031557","powder diffraction","","1.5418","CuKα","","","","","","","","","","0.9824","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019278","9.0943","0.0009","9.9151","0.0008","16.4279","0.0013","97.315","0.007","97.69","0.007","92.324","0.007","1453.5","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","(<i>OC</i>-6‒13)-Difluoridooxidobis(propan-2-ol)(propan-2-olato)vanadium(V)","","- C9 H23 F2 O4 V -","- C9 H23 F2 O4 V -","- C36 H92 F8 O16 V4 -","4","2","EG3138","Kohl, Julia; Wiedemann, Dennis","(<i>OC</i>-6-13)-Difluoridooxidobis(propan-2-ol)(propan-2-olato)vanadium(V)","Acta Crystallographica Section C","2013","69","12","1482","1484","10.1107/S0108270113029776","","","0.71073","MoKα","","0.0726","0.0515","","","0.0989","0.1073","","","","","","1.046","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019279","7.9006","0.0019","16.302","0.004","16.998","0.005","90","","90","","90","","2189.3","1","93","","93","","","","","","","","","5","P b c n","-P 2n 2ab","60","","10-Ethynyl-10<i>H</i>-phenothiazine 5-oxide","","- C14 H9 N O S -","- C14 H9 N O S -","- C112 H72 N8 O8 S8 -","8","1","EG3141","Umezono, Satoru; Ikeda, Satoshi; Okuno, Tsunehisa","Transannular S···N interactions in 10-ethynyl-10<i>H</i>-phenothiazine 5-oxide and 5,5-dioxide","Acta Crystallographica Section C","2013","69","12","1553","1556","10.1107/S0108270113031661","","","0.71075","MoKα","","","0.0537","","","","0.1474","","","","","","1.109","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019280","9.177","0.003","11.52","0.004","10.819","0.003","90","","90","","90","","1143.8","0.6","93","","93","","","","","","","","","5","P n m a","-P 2ac 2n","62","","10-Ethynyl-10<i>H</i>-phenothiazine 5,5-dioxide","","- C14 H9 N O2 S -","- C14 H9 N O2 S -","- C56 H36 N4 O8 S4 -","4","0.5","EG3141","Umezono, Satoru; Ikeda, Satoshi; Okuno, Tsunehisa","Transannular S···N interactions in 10-ethynyl-10<i>H</i>-phenothiazine 5-oxide and 5,5-dioxide","Acta Crystallographica Section C","2013","69","12","1553","1556","10.1107/S0108270113031661","","","0.71075","MoKα","","","0.0497","","","","0.1281","","","","","","1.105","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019281","10.6656","0.0008","11.8605","0.0009","14.6067","0.0011","108.659","0.001","92.297","0.001","99.04","0.001","1720.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(S)-[Ru^II^(H)~2~(N-(pyridine-2-ylmethyl)(tropNH)(PPh~3~)].THF","Dihydrido[(η-10,11)-(<i>SR</i>)<i>N</i>-(pyridine-2-ylmethyl-κ<i>N</i>)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine](triphenylphosphane-κ<i>P</i>)ruthenium(II) tetrahydrofuran monosolvate","","- C43 H43 N2 O P Ru -","- C43 H43 N2 O P Ru -","- C86 H86 N4 O2 P2 Ru2 -","2","1","FA3321","Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael; Sacchetti, Vittorio; Grützmacher, Hansjörg","Ru^II^‒hydride‒<i>trop</i> complexes: X-ray single-crystal determination and quantum-chemical calculations","Acta Crystallographica Section C","2013","69","12","1421","1426","10.1107/S0108270113024505","","","0.71073","MoKα","","0.0418","0.032","","","0.0702","0.0743","","","","","","1.033","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019282","9.2374","0.0004","10.4465","0.0005","15.5708","0.0007","94.297","0.003","99.725","0.003","112.661","0.002","1350.35","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(1SR,2RS)-[Ru^II^(H)(Cl)(<i>trop</i>HN(CH~2~)~2~HN<i>trop</i>)]","Chlorido{(1<i>SR</i>,2<i>RS</i>)-<i>N</i>,<i>N</i>'-bis[(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine]ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>'}hydridoruthenium(II) dimethoxyethane hemisolvate","","- C34 H34 Cl N2 O Ru -","- C34 H34 Cl N2 O Ru -","- C68 H68 Cl2 N4 O2 Ru2 -","2","1","FA3321","Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael; Sacchetti, Vittorio; Grützmacher, Hansjörg","Ru^II^‒hydride‒<i>trop</i> complexes: X-ray single-crystal determination and quantum-chemical calculations","Acta Crystallographica Section C","2013","69","12","1421","1426","10.1107/S0108270113024505","","","0.71073","MoKα","","0.0486","0.0321","","","0.0553","0.0587","","","","","","0.923","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019283","24.1125","0.0004","24.1125","0.0004","18.0487","0.0007","90","","90","","90","","10493.7","0.5","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","(S,R)-[Ru^II^(H)(Cl)(<i>trop</i>HN(CH~2~)~3~HN<i>trop</i>)]","Chlorido{(1<i>SR</i>,2<i>RS</i>)-<i>N</i>,<i>N</i>'-bis[(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine]propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>'}hydridoruthenium(II)","","- C33 H31 Cl N2 Ru -","- C33 H31 Cl N2 Ru -","- C528 H496 Cl16 N32 Ru16 -","16","1","FA3321","Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael; Sacchetti, Vittorio; Grützmacher, Hansjörg","Ru^II^‒hydride‒<i>trop</i> complexes: X-ray single-crystal determination and quantum-chemical calculations","Acta Crystallographica Section C","2013","69","12","1421","1426","10.1107/S0108270113024505","","","0.71073","MoKα","","0.0662","0.0344","","","0.0662","0.073","","","","","","0.918","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019284","8.4999","0.0012","11.1689","0.0015","32.202","0.004","94.586","0.002","90.88","0.002","107.708","0.002","2900.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ~2~-acetone-di-μ~3~-trifluoroacetato-deca-μ~2~-trifluoroacetato-octacopper(I)dicopper(II)","","- C30 H12 Cu10 F36 O26 -","- C30 H12 Cu10 F36 O26 -","- C60 H24 Cu20 F72 O52 -","2","1","FA3322","Hietsoi, Oleksandr; Filatov, Alexander S.; Petrukhina, Marina A.","Building a two-dimensional network from mixed-valence copper units held together by acetone bridges","Acta Crystallographica Section C","2013","69","12","1416","1420","10.1107/S0108270113025559","","","0.71073","Mo-Kα","","0.0718","0.0483","","","0.1104","0.1258","","","","","","1.023","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019285","16.716","0.004","12.535","0.003","15.232","0.004","90","","113.331","0.003","90","","2930.7","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)tetrakis(μ~4~-1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraolato)copper(II)octatin(II)","","- C30 H10 Cu F36 O20 Sn8 -","- C30 H10 Cu F36 O20 Sn8 -","- C60 H20 Cu2 F72 O40 Sn16 -","2","0.5","FA3323","Lieberman, Craig M.; Filatov, Alexander S.; Vreshch, Volodimir D.; Dikarev, Evgeny V.","Bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)tetrakis(μ~4~-1,1,1,5,5,5-hexafluoropentane-2,2,4,4-tetraolato)copper(II)octatin(II): a prospective precursor for Cu-doped SnO~2~ films","Acta Crystallographica Section C","2013","69","12","1427","1430","10.1107/S0108270113025717","","","0.71073","Mo-Kα","","0.0336","0.0274","","","0.0667","0.0711","","","","","","1.042","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019286","17.204","0.0003","18.2618","0.0003","20.2538","0.0004","90","","94.572","0.001","90","","6343","0.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(dtbpe)NiCl2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II) chloroform disolvate","","- C20 H42 Cl8 Ni P2 -","- C20 H42 Cl8 Ni P2 -","- C160 H336 Cl64 Ni8 P16 -","8","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0781","0.0536","","","0.1162","0.129","","","","","","1.087","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019287","11.1034","0.0007","15.1216","0.0009","14.5301","0.0009","90","","109.965","0.001","90","","2293","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","(dtbpe)NiCl2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dichloridonickel(II)","","- C18 H40 Cl2 Ni P2 -","- C18 H40 Cl2 Ni P2 -","- C72 H160 Cl8 Ni4 P8 -","4","2","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0592","0.0445","","","0.0892","0.0959","","","","","","1.032","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019288","20.3765","0.0014","8.1817","0.0006","14.7392","0.001","90","","112.272","0.001","90","","2273.9","0.3","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","(dtbpe)NiBr2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']dibromidonickel(II)","","- C18 H40 Br2 Ni P2 -","- C18 H40 Br2 Ni P2 -","- C72 H160 Br8 Ni4 P8 -","4","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0419","0.0338","","","0.0749","0.0785","","","","","","0.988","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019289","20.4783","0.0009","8.3037","0.0004","14.9472","0.0007","90","","110.999","0.001","90","","2372.9","0.19","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","(dtbpe)NiI2","[1,2-Bis(di-<i>tert</i>-butylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']diiodidonickel(II)","","- C18 H40 I2 Ni P2 -","- C18 H40 I2 Ni P2 -","- C72 H160 I8 Ni4 P8 -","4","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0264","0.0237","","","0.0467","0.0478","","","","","","1.045","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019290","26.3705","0.0017","26.3705","0.0017","16.79","0.0011","90","","90","","90","","11675.8","1.3","200","2","200","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","[1,2-Bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']diiodidonickel(II) dichloromethane monosolvate","","- C27 H26 Cl2 I2 Ni P2 -","- C27 H26 Cl2 I2 Ni P2 -","- C432 H416 Cl32 I32 Ni16 P32 -","16","1","FA3325","Schultz, Madeleine; Plessow, Philipp-Nikolaus; Rominger, Frank; Weigel, Laura","Structure, magnetism and colour in simple bis(phosphine)nickel(II) dihalide complexes: an experimental and theoretical investigation","Acta Crystallographica Section C","2013","69","12","1437","1447","10.1107/S0108270113030692","","","0.71073","MoKα","","0.0426","0.0353","","","0.0699","0.0746","","","","","","1.042","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019291","9.079","0.002","8.564","0.002","13.833","0.004","90","","106.016","0.003","90","","1033.8","0.4","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Calcium glycinatooxidodiperoxidovanadate(V) tetrahydrate","Calcium (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate","","- C2 H12 Ca N O11 V -","- C2 H12 Ca N O11 V -","- C8 H48 Ca4 N4 O44 V4 -","4","1","FG3311","Higuchi, Takeshi; Uchida, Ayana; Hashimoto, Masato","Calcium and strontium salts of (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate","Acta Crystallographica Section C","2013","69","12","1494","1497","10.1107/S0108270113031181","","","0.71069","MoKα","","0.0184","0.0175","","","0.0475","0.0481","","","","","","1.078","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019292","10.156","0.003","8.851","0.002","12.549","0.003","90","","112.818","0.003","90","","1039.8","0.5","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Calcium glycinatooxidodiperoxidovanadate(V) tetrahydrate","Calcium (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate","","- C2 H12 N O11 Sr V -","- C2 H11.99 N O11 Sr V -","- C8 H47.96 N4 O44 Sr4 V4 -","4","1","FG3311","Higuchi, Takeshi; Uchida, Ayana; Hashimoto, Masato","Calcium and strontium salts of (glycinato-κ^2^<i>N</i>,<i>O</i>)oxidobis(peroxido-κ^2^<i>O</i>,<i>O</i>')vanadate(V) tetrahydrate","Acta Crystallographica Section C","2013","69","12","1494","1497","10.1107/S0108270113031181","","","0.71069","MoKα","","0.0212","0.0192","","","0.0447","0.0457","","","","","","1.082","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019293","8.502","0.003","15.446","0.005","27.071","0.01","90","","96.226","0.004","90","","3534","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,8-Dibenzoyl-2,7-dihydroxynaphthalene","","- C24 H16 O4 -","- C24 H16 O4 -","- C192 H128 O32 -","8","2","FG3312","Mohri, Saki; Yoshiwaka, Sayaka; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko","Head-to-tail square-shaped cyclic hydrogen bonds leading to dimeric aggregates: 1,8-dibenzoyl-2,7-dihydroxynaphthalene and a comparison with its analogous benzoylnaphthalene","Acta Crystallographica Section C","2013","69","12","1541","1544","10.1107/S0108270113030771","","","0.7107","MoKα","","0.0686","0.0501","","","0.1077","0.1182","","","","","","1.088","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019294","12.5153","0.0009","14.1333","0.0011","14.6716","0.001","90","","96.863","0.004","90","","2576.6","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Physalin B acetone hemisolvate 0.11-hydrate","(8<i>R</i>,9<i>S</i>,10<i>R</i>,13<i>S</i>,14<i>R</i>,16<i>S</i>,17<i>R</i>,20<i>S</i>,22<i>R</i>,24<i>R</i>,25<i>S</i>)-16,24-Cyclo-13,14-secoergosta-2,5-diene-1,15-dioxo-14:17,14:27-diepoxy-13-hydroxy-18,26-dioic acid 18:20,26:22-di-γ-lactone δ-lactone acetone hemisolvate 0.11-hydrate","","- C29.5 H33.22 O9.61 -","- C29.5 H33.216 O9.608 -","- C118 H132.864 O38.432 -","4","2","FG3314","Mangwala Kimpende, Peter; Lusakibanza, Mariano; Mesia, Kahunu; Tona, Lutete; Tits, Monique; Angenot, Luc; Frédérich, Michel; Van Meervelt, Luc","Isolation, pharmacological activity and structure determination of physalin B and 5β,6β-epoxyphysalin B isolated from Congolese <i>Physalis angulata</i> L.","Acta Crystallographica Section C","2013","69","12","1557","1562","10.1107/S010827011303117X","","","1.54178","CuKα","","0.0699","0.0558","","","0.136","0.1473","","","","","","1.038","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019295","12.4859","0.0004","14.1716","0.0004","14.6559","0.0007","90","","96.829","0.003","90","","2574.89","0.17","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Physalin B epoxyphysalin B acetone monosolvate","Physalin B epoxyphysalin B acetone monosolvate","","- C59 H66 O19.67 -","- C59 H66 O19.669 -","- C118 H132 O39.338 -","2","1","FG3314","Mangwala Kimpende, Peter; Lusakibanza, Mariano; Mesia, Kahunu; Tona, Lutete; Tits, Monique; Angenot, Luc; Frédérich, Michel; Van Meervelt, Luc","Isolation, pharmacological activity and structure determination of physalin B and 5β,6β-epoxyphysalin B isolated from Congolese <i>Physalis angulata</i> L.","Acta Crystallographica Section C","2013","69","12","1557","1562","10.1107/S010827011303117X","","","1.54184","CuKα","","0.0739","0.0638","","","0.1684","0.1752","","","","","","1.056","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019296","7.6219","0.0003","7.6219","0.0003","13.1632","0.0009","90","","90","","90","","764.69","0.07","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Imidazolidin-2-one","","- C3 H6 N2 O -","- C3 H6 N2 O -","- C24 H48 N16 O8 -","8","0.5","FG3316","Taouss, Christina; Jones, Peter G.; Tindall, Daniel J.","Imidazolidin-2-one: pseudosymmetry and twinning","Acta Crystallographica Section C","2013","69","12","1534","1536","10.1107/S0108270113030746","","","0.71073","MoKα","","0.0349","0.0317","","","0.0769","0.0794","","","","","","1.067","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019297","6.618","0.002","8.527","0.003","13.111","0.004","86.34","0.005","89.487","0.005","68.617","0.005","687.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[[diaqua-μ~4~-oxydiacetato-di-μ~4~-sulfato-dipraseodymium(III)] hemihydrate]","","- C4 H9 O15.5 Pr2 S2 -","- C4 H9 O15.5 Pr2 S2 -","- C8 H18 O31 Pr4 S4 -","2","1","FN3156","Prasad, Thazhe Kootteri; Rajasekharan, M. V.","Novel three-dimensional coordination polymers of lanthanides with sulfate and oxydiacetic acid","Acta Crystallographica Section C","2013","69","12","1503","1508","10.1107/S0108270113031806","","","0.71073","MoKα","","0.0216","0.0205","","","0.0492","0.0498","","","","","","1.142","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019298","10.542","0.003","16.52","0.005","10.885","0.004","90","","108.921","0.005","90","","1793.2","1","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[diaquadi-μ~3~-oxydiacetato-μ~3~-sulfato-dineodymium(III)] 1.32-hydrate]","","- C8 H14.64 Nd2 O17.32 S -","- C8 H14.64 Nd2 O17.32 S -","- C32 H58.56 Nd8 O69.28 S4 -","4","1","FN3156","Prasad, Thazhe Kootteri; Rajasekharan, M. V.","Novel three-dimensional coordination polymers of lanthanides with sulfate and oxydiacetic acid","Acta Crystallographica Section C","2013","69","12","1503","1508","10.1107/S0108270113031806","","","0.71073","MoKα","","0.0212","0.0202","","","0.0451","0.0456","","","","","","1.152","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019299","10.4709","0.0017","16.441","0.003","10.8721","0.0018","90","","109.528","0.002","90","","1764","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[diaquadi-μ~3~-oxydiacetato-μ~3~-sulfato-disamarium(III)] 1.32-hydrate]","","- C8 H14.64 O17.32 S Sm2 -","- C8 H14.64 O17.32 S Sm2 -","- C32 H58.56 O69.28 S4 Sm8 -","4","1","FN3156","Prasad, Thazhe Kootteri; Rajasekharan, M. V.","Novel three-dimensional coordination polymers of lanthanides with sulfate and oxydiacetic acid","Acta Crystallographica Section C","2013","69","12","1503","1508","10.1107/S0108270113031806","","","0.71073","MoKα","","0.0205","0.019","","","0.0461","0.0468","","","","","","1.093","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019300","11.0292","0.0009","11.0292","0.0009","11.0292","0.0009","90","","90","","90","","1341.63","0.19","200","2","200","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Heptarubidium europium nonaindium heptatriacontagermanide","","- Eu0.61 Ge37.12 In8.88 Rb7.39 -","- Eu0.6 Ge37.12 In8.88 Rb7.4 -","- Eu0.6 Ge37.12 In8.88 Rb7.4 -","1","0.0208333","FN3157","Schäfer, Marion C.; Bobev, Svilen","On the possibility for Rb- and Eu-cation ordering in type-I clathrates: synthesis and homogeneity range of the novel compounds Rb~8{‒~<i>x</i>}Eu~<i>x~</i>(In,Ge)~46~ (0.6 {łeq} <i>x</i> {łeq} 1.8)","Acta Crystallographica Section C","2013","69","12","1457","1461","10.1107/S0108270113030011","","","0.71073","MoKα","","0.0206","0.0177","","","0.0407","0.0416","","","","","","1.182","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019301","11.0592","0.0003","11.0592","0.0003","11.0592","0.0003","90","","90","","90","","1352.61","0.06","200","2","200","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Hexarubidium dieuropium decaindium hexatriacontagermanide","","- Eu1.7 Ge36.24 In9.76 Rb6.3 -","- Eu1.7 Ge36.24 In9.76 Rb6.3 -","- Eu1.7 Ge36.24 In9.76 Rb6.3 -","1","0.0208333","FN3157","Schäfer, Marion C.; Bobev, Svilen","On the possibility for Rb- and Eu-cation ordering in type-I clathrates: synthesis and homogeneity range of the novel compounds Rb~8{‒~<i>x</i>}Eu~<i>x~</i>(In,Ge)~46~ (0.6 {łeq} <i>x</i> {łeq} 1.8)","Acta Crystallographica Section C","2013","69","12","1457","1461","10.1107/S0108270113030011","","","0.71073","MoKα","","0.0196","0.0161","","","0.0296","0.0307","","","","","","1.147","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2019302","11.0614","0.0007","11.0614","0.0007","11.0614","0.0007","90","","90","","90","","1353.41","0.15","200","2","200","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Hexarubidium dieuropium decaindium hexatriacontagermanide","","- Eu1.76 Ge35.84 In10.16 Rb6.24 -","- Eu1.76 Ge35.84 In10.16 Rb6.24 -","- Eu1.76 Ge35.84 In10.16 Rb6.24 -","1","0.0208333","FN3157","Schäfer, Marion C.; Bobev, Svilen","On the possibility for Rb- and Eu-cation ordering in type-I clathrates: synthesis and homogeneity range of the novel compounds Rb~8{‒~<i>x</i>}Eu~<i>x~</i>(In,Ge)~46~ (0.6 {łeq} <i>x</i> {łeq} 1.8)","Acta Crystallographica Section C","2013","69","12","1457","1461","10.1107/S0108270113030011","","","0.71073","MoKα","","0.0288","0.0206","","","0.0414","0.0444","","","","","","1.108","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019303","9.7841","0.0005","12.3479","0.0007","13.8639","0.0005","90","","90","","90","","1674.94","0.14","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4,4-Dimethyl-8-methylene-3-azabicyclo[3.3.1]non-2-en-2-yl)(1<i>H</i>-indol-3-yl)methanone","","- C20 H22 N2 O -","- C20 H22 N2 O -","- C80 H88 N8 O4 -","4","1","KU3113","Paz, Cristian; Becerra, José; Silva, Mario; Freire, Eleonora; Baggio, Ricardo","A polymorphic form of 4,4-dimethyl-8-methylene-3-azabicyclo[3.3.1]non-2-en-2-yl 3-indolyl ketone, an indole alkaloid extracted from <i>Aristotelia chilensis</i> (maqui)","Acta Crystallographica Section C","2013","69","12","1509","1512","10.1107/S0108270113025523","","","0.71073","MoKα","","0.0803","0.0538","","","0.1213","0.1395","","","","","","1.019","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019304","23.723","0.003","6.7123","0.0007","14.8382","0.0017","90","","94.178","0.004","90","","2356.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl(pyridine-κ<i>N</i>){5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olato-κ^2^<i>N</i>^1^,<i>O</i>}rhenium(I)","","- C26 H21 N4 O4 Re -","- C26 H21 N4 O4 Re -","- C104 H84 N16 O16 Re4 -","4","1","KY3040","Schutte-Smith, Marietjie; Muller, Theunis J.; Visser, Hendrik G.; Roodt, Andreas","Distorted octahedral environments in tricarbonylrhenium(I) complexes of 5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olate and 5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olate","Acta Crystallographica Section C","2013","69","12","1467","1471","10.1107/S0108270113027947","","","0.71073","MoKα","","0.0491","0.0306","","","","0.0743","","","","","","1.125","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019305","7.9776","0.0006","11.6818","0.0008","15.3994","0.0011","92.113","0.004","98.13","0.003","92.384","0.004","1418.13","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","{5,7-Bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olato-κ^2^<i>N</i>^1^,<i>O</i>}tricarbonyl(pyridine-κ<i>N</i>)rhenium(I)","","- C31 H23 N6 O4 Re -","- C31 H23 N6 O4 Re -","- C62 H46 N12 O8 Re2 -","2","1","KY3040","Schutte-Smith, Marietjie; Muller, Theunis J.; Visser, Hendrik G.; Roodt, Andreas","Distorted octahedral environments in tricarbonylrhenium(I) complexes of 5-[2-(2,4,6-trimethylphenyl)diazen-1-yl]quinolin-8-olate and 5,7-bis[2-(2-methylphenyl)diazen-1-yl]quinolin-8-olate","Acta Crystallographica Section C","2013","69","12","1467","1471","10.1107/S0108270113027947","","","0.71073","MoKα","","0.0286","0.0219","","","","0.0449","","","","","","1.088","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019306","13.166","0.003","6.8812","0.0014","11.958","0.002","90","","90","","90","","1083.4","0.4","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2-Dichloromethyl-3-methyl-1,4-naphthalenedione","2-Dichloromethyl-3-methyl-1,4-dihydronaphthalene-1,4-dione","","- C12 H8 Cl2 O2 -","- C12 H8 Cl2 O2 -","- C48 H32 Cl8 O8 -","4","0.5","KY3044","Soave, Raffaella; Colombo, Pietro","Intermolecular C—H···O, Cl···Cl and π‒π interactions in the 2-dichloromethyl derivative of vitamin K~3~","Acta Crystallographica Section C","2013","69","12","1563","1566","10.1107/S010827011303196X","","","0.71073","MoKα","","0.1114","0.0481","","","0.1164","0.1612","","","","","","1.044","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019307","6.7279","0.0003","9.7888","0.0004","5.4611","0.0002","90","","95.149","0.002","90","","358.21","0.03","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","<i>fac</i>-Triamminetrichloridorhodium(III)","","- Cl3 H9 N3 Rh -","- Cl3 H9 N3 Rh -","- Cl6 H18 N6 Rh2 -","2","0.5","LG3133","Vasiliev, Alexander D.; Molokeev, Maxim S.; Baidina, Iraida A.; Belyaev, Anatoly V.; Vorob'eva, Sofiya N.","Arrangement of Rh^3+^ ions in <i>fac</i>-triamminetrichloridorhodium from powder data and in <i>fac</i>-triamminetrinitratorhodium crystals twinned by merohedry","Acta Crystallographica Section C","2013","69","12","1462","1466","10.1107/S010827011303076X","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","2.961","","","2.961","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019308","7.496","0.001","7.496","0.001","5.256","0.0008","90","","90","","120","","255.77","0.06","296","2","296","2","","","","","","","","4","P 3","P 3","143","","<i>fac</i>-Triamminetrinitratorhodium(III)","","- H9 N6 O9 Rh -","- N6 O9 Rh -","- N6 O9 Rh -","1","0.333333","LG3133","Vasiliev, Alexander D.; Molokeev, Maxim S.; Baidina, Iraida A.; Belyaev, Anatoly V.; Vorob'eva, Sofiya N.","Arrangement of Rh^3+^ ions in <i>fac</i>-triamminetrichloridorhodium from powder data and in <i>fac</i>-triamminetrinitratorhodium crystals twinned by merohedry","Acta Crystallographica Section C","2013","69","12","1462","1466","10.1107/S010827011303076X","","","0.71073","MoKα","","0.0191","0.0191","","","0.0481","0.0481","","","","","","1.115","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019309","17.344","0.015","6.509","0.005","7.522","0.006","90","","90.79","0.017","90","","849.1","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(μ~4~-1-phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiolato)copper(I)]","","- C7 H5 Cu N4 S -","- C7 H5 Cu N4 S -","- C28 H20 Cu4 N16 S4 -","4","1","LN3165","Zhou, Fang-Xia; Yue, Cheng-Yang; Zhang, Hui-Ping; Lei, Xiao-Wu","A two-dimensional Cu^I^ framework incorporating the 1-phenyl-1<i>H</i>-1,2,3,4-tetrazole-5-thiol ligand","Acta Crystallographica Section C","2013","69","12","1478","1481","10.1107/S0108270113029065","","","0.71073","MoKα","","0.0706","0.0519","","","0.12","0.1333","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019310","5.7828","0.0004","20.7395","0.0014","29.4867","0.0019","90","","90","","90","","3536.4","0.4","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Lapatinb monotosylate","({5-[4-({3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]furan-2-yl}methyl)[2-(methylsulfonyl)ethyl]azanium 4-methylbenzenesulfonate","","- C36 H34 Cl F N4 O7 S2 -","- C36 H34 Cl F N4 O7 S2 -","- C144 H136 Cl4 F4 N16 O28 S8 -","4","1","OV3039","Ravikumar, K.; Sridhar, B.; Nanubolu, Jagadeesh Babu; Rao, A. K. S. Bhujanga; Jyothiprasad, R.","Tosylate salts of the anticancer drug lapatinib","Acta Crystallographica Section C","2013","69","12","1516","1523","10.1107/S0108270113028965","","","0.71073","MoKα","","0.0634","0.0568","","","0.1332","0.1373","","","","","","1.115","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019311","9.2122","0.0006","13.2387","0.0009","18.3758","0.0012","95.387","0.001","92.463","0.001","100.359","0.001","2190.7","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","Lapatinib ditosylate","4-({3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-]5-({[2-(methylsulfonyl)ethyl]azaniumyl}methyl)furan-2-yl[quinazolin-1-ium bis(4-methylbenzenesulfonate)","","- C43 H42 Cl F N4 O10 S3 -","- C43 H42 Cl F N4 O10 S3 -","- C86 H84 Cl2 F2 N8 O20 S6 -","2","1","OV3039","Ravikumar, K.; Sridhar, B.; Nanubolu, Jagadeesh Babu; Rao, A. K. S. Bhujanga; Jyothiprasad, R.","Tosylate salts of the anticancer drug lapatinib","Acta Crystallographica Section C","2013","69","12","1516","1523","10.1107/S0108270113028965","","","0.71073","MoKα","","0.0802","0.0622","","","0.1599","0.1735","","","","","","1.028","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019312","7.9406","0.0004","6.8025","0.0004","33.27","0.0017","90","","90","","90","","1797.11","0.17","200","1","200","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","sodium 4-chloro-3-nitrobenzoate monohydrate","Poly[aqua(μ~4~-4-chloro-3-nitrobenzoato)sodium(I)]","","- C7 H5 Cl N Na O5 -","- C7 H5 Cl N Na O5 -","- C56 H40 Cl8 N8 Na8 O40 -","8","1","OV3041","Smith, Graham","Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid","Acta Crystallographica Section C","2013","69","12","1472","1477","10.1107/S0108270113028977","","","0.71073","MoKα","","0.0407","0.0365","","","0.0888","0.0914","","","","","","1.132","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019313","6.611","0.0006","6.9443","0.0007","11.7453","0.0011","75.054","0.008","85.243","0.007","67.249","0.009","480.35","0.09","200","1","200","1","","","","","","","","5","P -1","-P 1","2","sodium 4-nitroanthranilate dihydrate","Poly[μ-aqua-aqua(μ~3~-2-amino-4-nitrobenzoato)sodium(I)]","","- C7 H9 N2 Na O6 -","- C7 H9 N2 Na O6 -","- C14 H18 N4 Na2 O12 -","2","1","OV3041","Smith, Graham","Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid","Acta Crystallographica Section C","2013","69","12","1472","1477","10.1107/S0108270113028977","","","0.71073","MoKα","","0.0509","0.0402","","","0.1032","0.1132","","","","","","1.073","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019314","11.0753","0.0006","7.3693","0.0004","11.8371","0.0007","90","","110.144","0.006","90","","907.01","0.09","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium 4-nitroanthranilate monohydrate","Poly[μ-aqua-aqua(μ~5~-2-amino-4-nitrobenzoato)potassium(I)]","","- C7 H7 K N2 O5 -","- C7 H7 K N2 O5 -","- C28 H28 K4 N8 O20 -","4","1","OV3041","Smith, Graham","Coordination polymeric structures in the sodium salt of 4-chloro-3-nitrobenzoic acid and the sodium and potassium salts of 4-nitroanthranilic acid","Acta Crystallographica Section C","2013","69","12","1472","1477","10.1107/S0108270113028977","","","0.71073","MoKα","","0.0409","0.0323","","","0.0738","0.0776","","","","","","1.035","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019315","6.616","0.003","15.683","0.006","8.545","0.004","90","","108.037","0.005","90","","843","0.6","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,7-Bis(1<i>H</i>-imidazol-1-yl)-9,9-dimethyl-9<i>H</i>-fluorene","","- C21 H18 N4 -","- C21 H18 N4 -","- C42 H36 N8 -","2","1","SF3208","Liu, Yan-Fei; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride","Acta Crystallographica Section C","2013","69","12","1488","1493","10.1107/S0108270113030163","","","0.71073","MoKα","","0.0634","0.0532","","","0.1083","0.1122","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019316","12.749","0.009","17.215","0.011","9.489","0.006","90","","100.402","0.009","90","","2048","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[dichloridodicopper(I)(<i>Cu</i>—<i>Cu</i>)]-μ-2,7-bis(1<i>H</i>-imidazol-1-yl)-9,9-dimethyl-9<i>H</i>-fluorene]","","- C21 H18 Cl2 Cu2 N4 O0 -","- C21 H18 Cl2 Cu2 N4 -","- C84 H72 Cl8 Cu8 N16 -","4","1","SF3208","Liu, Yan-Fei; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride","Acta Crystallographica Section C","2013","69","12","1488","1493","10.1107/S0108270113030163","","","0.71073","MoKα","","0.0783","0.0603","","","0.161","0.172","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019317","11.205","0.004","11.347","0.004","11.652","0.004","66.157","0.005","66.036","0.004","81.515","0.005","1238","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[tetra-μ~2~-chlorido-tetracopper(I)]-bis[μ-2,7-bis(1<i>H</i>-imidazol-1-yl)-9,9-dipropyl-9<i>H</i>-fluorene]]","","- C25 H26 Cl2 Cu2 N4 -","- C25 H26 Cl2 Cu2 N4 -","- C50 H52 Cl4 Cu4 N8 -","2","1","SF3208","Liu, Yan-Fei; Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin","The coordination chemistry of two symmetric fluorene-based organic ligands with cuprous chloride","Acta Crystallographica Section C","2013","69","12","1488","1493","10.1107/S0108270113030163","","","0.71073","MoKα","","0.103","0.057","","","0.1287","0.1431","","","","","","1.003","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019318","8.2246","0.0016","8.7495","0.0017","11.454","0.002","100.67","0.03","97.26","0.03","94.68","0.03","798.8","0.3","223.15","","223.15","","","","","","","","","4","P -1","-P 1","2","2,2'-Biimidazole-3,3'-diium 2,5-dicarboxybenzene-1,4-dicarboxylate","2-(Imidazol-1-ium-2-yl)imidazol-1-ium 2,5-dicarboxybenzene-1,4-dicarboxylate","","- C16 H12 N4 O8 -","- C16 H12 N4 O8 -","- C32 H24 N8 O16 -","2","1","SF3209","Zhong, Kai-Long","Two-dimensional hydrogen-bonded supramolecular networks in the compounds of benzene-1,2,4,5-tetracarboxylic acid (pyromellitic acid) with 2,2'-biimidazole and 4,4'-dimethyl-2,2'-bipyridine","Acta Crystallographica Section C","2013","69","12","1537","1540","10.1107/S0108270113030801","","","0.71073","MoKα","","0.0613","0.0462","","","0.1149","0.1224","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2019319","9.5166","0.0007","9.997","0.0008","12.4106","0.0008","77.979","0.006","73.421","0.006","62.655","0.008","1001.03","0.15","223.15","","223.15","","","","","","","","","4","P -1","-P 1","2","","4-Methyl-2-(4-methylpyridin-2-yl)pyridinium 2,4,5-tricarboxybenzoate monohydrate","","- C22 H20 N2 O9 -","- C22 H20 N2 O9 -","- C44 H40 N4 O18 -","2","1","SF3209","Zhong, Kai-Long","Two-dimensional hydrogen-bonded supramolecular networks in the compounds of benzene-1,2,4,5-tetracarboxylic acid (pyromellitic acid) with 2,2'-biimidazole and 4,4'-dimethyl-2,2'-bipyridine","Acta Crystallographica Section C","2013","69","12","1537","1540","10.1107/S0108270113030801","","","0.71073","MoKα","","0.071","0.0505","","","0.1144","0.1264","","","","","","1.006","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019320","19.3355","0.0005","5.9277","0.0002","14.5264","0.0004","90","","109.222","0.001","90","","1572.12","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Azobis(4-benzoyloxy-2,2,6,6-tetramethylpiperidinyloxidanyl)","4,4'-{Diazenediylbis[(1,4-phenylene)bis(carbonyloxy)]}bis(2,2,6,6-tetramethylpiperidinyloxidanyl)","","- C32 H42 N4 O6 -","- C32 H42 N4 O6 -","- C64 H84 N8 O12 -","2","0.5","SK3514","Bekö, Sándor L.; Thoms, Silke D.; Schmidt, Martin U.","4,4'-{Diazenediylbis[(1,4-phenylene)bis(carbonyloxy)]}bis(2,2,6,6-tetramethylpiperidinyloxidanyl): the first crystal structure determination from powder data of a nitroxide radical","Acta Crystallographica Section C","2013","69","12","1513","1515","10.1107/S0108270113029211","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.153","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019321","9.2168","0.0016","9.7617","0.0018","12.6839","0.0017","77.688","0.016","75.951","0.011","68.117","0.013","1017.7","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","(9<i>E</i>)-9-Benzylidene-2-methylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-<i>b</i>]quinolin-4(3<i>H</i>)-one","","- C25 H21 N3 O S -","- C25 H21 N3 O S -","- C50 H42 N6 O2 S2 -","2","1","SK3519","Becerra, Diana; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher","(9<i>E</i>)-9-Benzylidene-2-methylsulfanyl-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-<i>b</i>]quinolin-4(3<i>H</i>)-one: a hydrogen-bonded <i>R</i>~2~^2^(8) dimer","Acta Crystallographica Section C","2013","69","12","1524","1526","10.1107/S010827011303059X","","","0.71073","MoKα","","0.0828","0.0465","","","0.0909","0.1065","","","","","","1.057","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019322","8.0655","0.0016","10.391","0.002","12.735","0.003","105.6","0.01","103.47","0.01","102.81","0.02","952.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2,2'-Disulfanylidene-5,5'-biimidazolidinylidene-4,4'-dione‒dimethylformamide‒water (3/2/4)","","- C24 H34 N14 O12 S6 -","- C24 H34 N14 O12 S6 -","- C24 H34 N14 O12 S6 -","1","0.5","WQ3050","Wu, De-Hong","Three-dimensional hydrogen-bonded assembly in 2,2'-disulfanylidene-5,5'-biimidazolidinylidene-4,4'-dione‒dimethylformamide‒water (3/2/4)","Acta Crystallographica Section C","2013","69","12","1545","1548","10.1107/S0108270113031521","","","0.71073","MoKα","","0.064","0.0421","","","0.0985","0.1097","","","","","","1.027","","","","has coordinates,has disorder","176760","2020-10-21","18:00:00",""
"2019323","8.6591","0.0012","4.998","0.0007","28.346","0.004","90","","98.042","0.003","90","","1214.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-2-carboxamide","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C64 H44 N4 O12 -","4","1","YF3049","Reis, Joana; Gaspar, Alexandra; Borges, Fernanda; Gomes, Ligia R.; Low, John Nicolson","4-Oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-2-carboxamide and of a new polymorph of 7-methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide and its hemihydrate","Acta Crystallographica Section C","2013","69","12","1527","1533","10.1107/S0108270113029727","","","0.71073","MoKα","","0.0787","0.0433","","","0.1049","0.1246","","","","","","1.017","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019324","12.989","0.012","8.301","0.007","29.11","0.02","90","","94.29","0.02","90","","3130","4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7-Methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide hemihydrate","","- C18 H16 N O4.5 -","- C18 H16 N O4.5 -","- C144 H128 N8 O36 -","8","1","YF3049","Reis, Joana; Gaspar, Alexandra; Borges, Fernanda; Gomes, Ligia R.; Low, John Nicolson","4-Oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-2-carboxamide and of a new polymorph of 7-methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide and its hemihydrate","Acta Crystallographica Section C","2013","69","12","1527","1533","10.1107/S0108270113029727","","","0.71075","MoKα","","0.109","0.0959","","","0.1987","0.2078","","","","","","1.248","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019325","5.7544","0.0004","8.0892","0.0005","15.6269","0.0014","101.926","0.007","95.366","0.009","92.579","0.009","707.04","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","7-Methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C36 H30 N2 O8 -","2","1","YF3049","Reis, Joana; Gaspar, Alexandra; Borges, Fernanda; Gomes, Ligia R.; Low, John Nicolson","4-Oxo-<i>N</i>-phenyl-4<i>H</i>-chromene-2-carboxamide and of a new polymorph of 7-methoxy-4-oxo-<i>N</i>-<i>p</i>-tolyl-4<i>H</i>-chromene-2-carboxamide and its hemihydrate","Acta Crystallographica Section C","2013","69","12","1527","1533","10.1107/S0108270113029727","","","0.71075","MoKα","","0.0532","0.0379","","","0.1016","0.1069","","","","","","1.041","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2019326","8.628","0.003","8.628","0.003","24.621","0.01","90","","90","","90","","1832.8","1.2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Poly[bis(μ~3~-3,5-diethyl-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)trisilver nitrate]","","- C12 H20 Ag3 N7 O3 -","- C12 H20 Ag3 N7 O3 -","- C48 H80 Ag12 N28 O12 -","4","0.5","YF3050","Jiang, Feng; Dai, Lin; Shi, Yiqiang; Wang, Zhixiang","A three-dimensional chiral crystal structure constructed from a chiral triazolate ligand showing an SrSi~2~ topology: poly[bis(μ~3~-3,5-diethyl-1,2,4-triazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)trisilver nitrate]","Acta Crystallographica Section C","2013","69","12","1485","1487","10.1107/S0108270113029788","","","0.71073","MoKα","","0.0295","0.0285","","","0.0627","0.0632","","","","","","1.058","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2021874","10.0901","0.0002","20.3099","0.0005","22.312","0.0004","65.5992","0.0019","88.3686","0.0015","89.7419","0.0017","4162.14","0.16","175","","175","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H26 F10 N6 O6 S2 Zn -","- C40 H26 F10 N6 O6 S2 Zn -","- C160 H104 F40 N24 O24 S8 Zn4 -","4","2","EB5021","Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie","Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","43","","10.1107/S2052519212050439","","","0.71073","MoKα","","0.0696","0.0528","","0.0658","0.0544","0.0544","","","","","","1.0552","","","","has coordinates","246063","2020-10-21","18:00:00",""
"2021875","10.2008","0.0006","10.279","0.0007","21.6355","0.0014","93.942","0.005","91.113","0.005","90.349","0.005","2262.7","0.3","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H26 Cl4 F6 N6 O6 S2 Zn -","- C40 H26 Cl4 F6 N6 O6 S2 Zn -","- C80 H52 Cl8 F12 N12 O12 S4 Zn2 -","2","1","EB5021","Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie","Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","43","","10.1107/S2052519212050439","","","0.71073","MoKα","","0.1703","0.1104","","0.1043","0.0974","0.0974","","","","","","0.9796","","","","has coordinates","246063","2020-10-21","18:00:00",""
"2021876","10.2631","0.0006","10.4481","0.0008","22.1315","0.0017","83.959","0.006","88.508","0.005","89.483","0.005","2359.1","0.3","175","","175","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H26 Br4 F6 N6 O6 S2 Zn -","- C40 H26 Br4 F6 N6 O6 S2 Zn -","- C80 H52 Br8 F12 N12 O12 S4 Zn2 -","2","1","EB5021","Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie","Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","43","","10.1107/S2052519212050439","","","0.71073","MoKα","","0.1905","0.0919","","0.1402","0.0928","0.0928","","","","","","1.12","","","","has coordinates","246063","2020-10-21","18:00:00",""
"2021877","13.3328","0.0009","14.3957","0.0009","14.6008","0.0009","95.972","0.005","110.04","0.006","99.907","0.005","2552.9","0.3","175","","175","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H26 F6 I4 N6 O6 S2 Zn -","- C40 H26 F6 I4 N6 O6 S2 Zn -","- C80 H52 F12 I8 N12 O12 S4 Zn2 -","2","1","EB5021","Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie","Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","43","","10.1107/S2052519212050439","","","0.71073","MoKα","","0.2384","0.0964","","0.1667","0.0828","0.0828","","","","","","1.0049","","","","has coordinates","246063","2020-10-21","18:00:00",""
"2021878","26.573","0.002","4.8587","0.0002","8.8165","0.0004","90","","90","","90","","1138.3","0.11","293","2","293","2","11800000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","77","","10.1107/S2052519212051147","","","0.71073","MoKα","","0.0727","0.0469","","","0.1091","0.1168","","","","","","1.079","","","","has coordinates","246064","2020-10-21","18:00:00",""
"2021879","26.5733","0.0018","4.7178","0.0002","8.6406","0.0002","90","","90","","90","","1083.25","0.09","293","2","293","2","21000000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","77","","10.1107/S2052519212051147","","","0.71073","MoKα","","0.0865","0.045","","","0.0945","0.1033","","","","","","0.973","","","","has coordinates","246064","2020-10-21","18:00:00",""
"2021880","26.605","0.002","4.6688","0.0002","8.5711","0.0003","90","","90","","90","","1064.65","0.1","293","2","293","2","25000000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","77","","10.1107/S2052519212051147","","","0.71073","MoKα","","0.0869","0.0504","","","0.1169","0.1252","","","","","","0.994","","","","has coordinates","246064","2020-10-21","18:00:00",""
"2021881","26.6068","0.0019","4.6576","0.0002","8.5556","0.0002","90","","90","","90","","1060.24","0.09","293","2","293","2","26300000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","77","","10.1107/S2052519212051147","","","0.71073","MoKα","","0.084","0.0464","","","0.0955","0.104","","","","","","0.994","","","","has coordinates","246064","2020-10-21","18:00:00",""
"2021882","25.602","0.003","4.634","0.0002","8.8525","0.0004","99.109","0.004","90","","90","","1037.01","0.14","293","2","293","2","29100000","","","","","","","6","P 21 1 1","P 2xa","4","chlorpropamide, α^II^-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","2","","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","77","","10.1107/S2052519212051147","","","0.71073","MoKα","","0.1121","0.0681","","","0.1365","0.1444","","","","","","0.997","","","","has coordinates","246064","2020-10-21","18:00:00",""
"2021883","25.522","0.006","4.6023","0.0007","8.8298","0.0015","99.477","0.014","90","","90","","1023","0.3","293","2","293","2","33300000","","","","","","","6","P 21 1 1","P 2xa","4","chlorpropamide, α^II^-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","2","","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2013","69","1","77","","10.1107/S2052519212051147","","","0.71073","MoKα","","0.1068","0.06","","","0.1326","0.1423","","","","","","0.995","","","","has coordinates","246064","2020-10-21","18:00:00",""
"2105309","9.3166","0.0006","15.4676","0.0008","12.6132","0.0006","90","","119.016","0.004","90","","1589.49","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(acetylacetonato)(η^4^-cyclo-octa-1,5-dienyl)palladium(II) hexafluorophosphate","","- C13 H19 F6 O2 P Pd -","- C13 H19 F6 O2 P Pd -","- C52 H76 F24 O8 P4 Pd4 -","4","1","EB5019","Hill, Tania N.; Roodt, Andreas; Steyl, Gideon","Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters","Acta Crystallographica Section B","2013","69","1","36","42","10.1107/S0108768112046733","","","0.71073","MoKα","","0.0467","0.0332","","","0.0741","0.0806","","","","","","1.049","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105310","26.2908","0.0011","7.1684","0.0003","7.7782","0.0003","90","","90","","90","","1465.9","0.1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","(acetylacetonato)(η^4^-cyclo-octa-1,5-dienyl)palladium(II) tetrafluoroborate","","- C13 H19 B F4 O2 Pd -","- C13 H19 B F4 O2 Pd -","- C52 H76 B4 F16 O8 Pd4 -","4","1","EB5019","Hill, Tania N.; Roodt, Andreas; Steyl, Gideon","Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters","Acta Crystallographica Section B","2013","69","1","36","42","10.1107/S0108768112046733","","","0.71073","MoKα","","0.0238","0.0221","","","0.0603","0.0618","","","","","","0.927","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105311","9.9691","0.0002","17.0294","0.0003","13.6427","0.0003","90","","124.439","0.001","90","","1910.15","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(thenoyltrifluoroacetonato)(η^4^-cyclo-octa-1,5-dienyl)palladium(II) hexafluorophosphate","","- C16 H16 F9 O2 P Pd S -","- C16 H16 F9 O2 P Pd S -","- C64 H64 F36 O8 P4 Pd4 S4 -","4","1","EB5019","Hill, Tania N.; Roodt, Andreas; Steyl, Gideon","Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters","Acta Crystallographica Section B","2013","69","1","36","42","10.1107/S0108768112046733","","","0.71073","MoKα","","0.033","0.0247","","","0.059","0.0611","","","","","","1.009","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105312","10.0528","0.0003","16.6333","0.0006","13.16","0.0003","90","","125.684","0.002","90","","1787.35","0.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(thenoyltrifluoroacetonato)(η^4^-cyclo-octa-1,5-dienyl)palladium(II) tetrafluoroborate","","- C16 H16 B F7 O2 Pd S -","- C16 H16 B F7 O2 Pd S -","- C64 H64 B4 F28 O8 Pd4 S4 -","4","1","EB5019","Hill, Tania N.; Roodt, Andreas; Steyl, Gideon","Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters","Acta Crystallographica Section B","2013","69","1","36","42","10.1107/S0108768112046733","","","0.71073","MoKα","","0.0324","0.0269","","","0.0676","0.0707","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105313","8.5885","0.0002","10.6304","0.0002","19.4093","0.0004","90","","93.415","0.001","90","","1768.91","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(hexafluoroacetylacetonato)(η^4^-cyclo-octa-1,5-dienyl)palladium(II) hexafluorophosphate","","- C13 H13 F12 O2 P Pd -","- C13 H13 F12 O2 P Pd -","- C52 H52 F48 O8 P4 Pd4 -","4","1","EB5019","Hill, Tania N.; Roodt, Andreas; Steyl, Gideon","Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters","Acta Crystallographica Section B","2013","69","1","36","42","10.1107/S0108768112046733","","","0.71073","MoKα","","0.0288","0.025","","","0.0601","0.0623","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105314","10.0901","0.0002","20.3099","0.0005","22.312","0.0004","65.5992","0.0019","88.3686","0.0015","89.7419","0.0017","4162.14","0.16","175","","175","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H26 F10 N6 O6 S2 Zn -","- C40 H26 F10 N6 O6 S2 Zn -","- C160 H104 F40 N24 O24 S8 Zn4 -","4","2","EB5021","Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie","Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes","Acta Crystallographica Section B","2013","69","1","43","54","10.1107/S0108768112050434","","","0.71073","MoKα","","0.0696","0.0528","","0.0658","0.0544","0.0544","","","","","","1.0552","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105315","10.2008","0.0006","10.279","0.0007","21.6355","0.0014","93.942","0.005","91.113","0.005","90.349","0.005","2262.7","0.3","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H26 Cl4 F6 N6 O6 S2 Zn -","- C40 H26 Cl4 F6 N6 O6 S2 Zn -","- C80 H52 Cl8 F12 N12 O12 S4 Zn2 -","2","1","EB5021","Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie","Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes","Acta Crystallographica Section B","2013","69","1","43","54","10.1107/S0108768112050434","","","0.71073","MoKα","","0.1703","0.1104","","0.1043","0.0974","0.0974","","","","","","0.9796","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105316","10.2631","0.0006","10.4481","0.0008","22.1315","0.0017","83.959","0.006","88.508","0.005","89.483","0.005","2359.1","0.3","175","","175","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H26 Br4 F6 N6 O6 S2 Zn -","- C40 H26 Br4 F6 N6 O6 S2 Zn -","- C80 H52 Br8 F12 N12 O12 S4 Zn2 -","2","1","EB5021","Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie","Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes","Acta Crystallographica Section B","2013","69","1","43","54","10.1107/S0108768112050434","","","0.71073","MoKα","","0.1905","0.0919","","0.1402","0.0928","0.0928","","","","","","1.12","","","","has coordinates,has Fobs","209451","2020-10-21","18:00:00",""
"2105317","13.3328","0.0009","14.3957","0.0009","14.6008","0.0009","95.972","0.005","110.04","0.006","99.907","0.005","2552.9","0.3","175","","175","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H26 F6 I4 N6 O6 S2 Zn -","- C40 H26 F6 I4 N6 O6 S2 Zn -","- C80 H52 F12 I8 N12 O12 S4 Zn2 -","2","1","EB5021","Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie","Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes","Acta Crystallographica Section B","2013","69","1","43","54","10.1107/S0108768112050434","","","0.71073","MoKα","","0.2384","0.0964","","0.1667","0.0828","0.0828","","","","","","1.0049","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105318","10.687","0.0001","22.4852","0.0002","22.6756","0.0002","90","","101.721","0.001","90","","5335.31","0.09","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(EsIO)4","","","- C60 H40 N8 O16 -","- C60 H40 N8 O16 -","- C240 H160 N32 O64 -","4","1","GP5057","Mocilac, Pavle; Gallagher, John F.","Entry point into new trimeric and tetrameric imide-based macrocyclic esters derived from isophthaloyl dichloride and methyl 6-aminonicotinate","Acta Crystallographica Section B","2013","69","1","62","69","10.1107/S0108768112047416","","","1.54184","CuKα","","0.053","0.0411","","","0.1086","0.1195","","","","","","1.025","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105319","16.3411","0.0013","16.5747","0.0004","17.4806","0.0016","87.273","0.005","83.35","0.007","89.825","0.004","4697.4","0.6","294","2","294","2","","","","","","","","4","P -1","-P 1","2","(EsIO)3","","","- C45 H30 N6 O12 -","- C45 H30 N6 O12 -","- C180 H120 N24 O48 -","4","2","GP5057","Mocilac, Pavle; Gallagher, John F.","Entry point into new trimeric and tetrameric imide-based macrocyclic esters derived from isophthaloyl dichloride and methyl 6-aminonicotinate","Acta Crystallographica Section B","2013","69","1","62","69","10.1107/S0108768112047416","","","1.54184","CuKα","","0.1851","0.1214","","","0.3073","0.3517","","","","","","0.914","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105320","26.573","0.002","4.8587","0.0002","8.8165","0.0004","90","","90","","90","","1138.3","0.11","293","2","293","2","11800000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B","2013","69","1","77","85","10.1107/S0108768112051142","","","0.71073","MoKα","","0.0727","0.0469","","","0.1091","0.1168","","","","","","1.079","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105321","26.5733","0.0018","4.7178","0.0002","8.6406","0.0002","90","","90","","90","","1083.25","0.09","293","2","293","2","21000000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B","2013","69","1","77","85","10.1107/S0108768112051142","","","0.71073","MoKα","","0.0865","0.045","","","0.0945","0.1033","","","","","","0.973","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105322","26.605","0.002","4.6688","0.0002","8.5711","0.0003","90","","90","","90","","1064.65","0.1","293","2","293","2","25000000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B","2013","69","1","77","85","10.1107/S0108768112051142","","","0.71073","MoKα","","0.0869","0.0504","","","0.1169","0.1252","","","","","","0.994","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105323","26.6068","0.0019","4.6576","0.0002","8.5556","0.0002","90","","90","","90","","1060.24","0.09","293","2","293","2","26300000","","","","","","","6","P 21 21 21","P 2ac 2ab","19","chlorpropamide, α-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","1","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B","2013","69","1","77","85","10.1107/S0108768112051142","","","0.71073","MoKα","","0.084","0.0464","","","0.0955","0.104","","","","","","0.994","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105324","25.602","0.003","4.634","0.0002","8.8525","0.0004","99.109","0.004","90","","90","","1037.01","0.14","293","2","293","2","29100000","","","","","","","6","P 21 1 1","P 2xa","4","chlorpropamide, α^II^-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","2","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B","2013","69","1","77","85","10.1107/S0108768112051142","","","0.71073","MoKα","","0.1121","0.0681","","","0.1365","0.1444","","","","","","0.997","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105325","25.522","0.006","4.6023","0.0007","8.8298","0.0015","99.477","0.014","90","","90","","1023","0.3","293","2","293","2","33300000","","","","","","","6","P 21 1 1","P 2xa","4","chlorpropamide, α^II^-form","4-chloro-N-((propylaminocarbonyl)benzenesulfonamide","","- C10 H13 Cl N2 O3 S -","- C10 H13 Cl N2 O3 S -","- C40 H52 Cl4 N8 O12 S4 -","4","2","GP5058","Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.","A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution","Acta Crystallographica Section B","2013","69","1","77","85","10.1107/S0108768112051142","","","0.71073","MoKα","","0.1068","0.06","","","0.1326","0.1423","","","","","","0.995","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105326","15.7039","0.0019","5.3299","0.0007","16.932","0.002","90","","111.26","0.002","90","","1320.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N2 O6 P2 -","- C28 H30 N2 O6 P2 -","- C56 H60 N4 O12 P4 -","2","0.5","PS5019","Gholivand, Khodayar; Valmoozi, Ali A. Ebrahimi; Mahzouni, Hamid R.","Structural and electronic aspects of hydrogen bonding in two polymorphs of butylene-<i>N</i>,<i>N</i>'-bis(<i>O</i>,<i>O</i>'-diarylphosphoramidate)","Acta Crystallographica Section B","2013","69","1","55","61","10.1107/S0108768112048331","","","0.71073","MoKα","","0.0935","0.0535","","","0.116","0.1314","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105327","9.6437","0.0009","14.3801","0.0013","10.3503","0.0009","90","","113.659","0.002","90","","1314.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N2 O6 P2 -","- C28 H30 N2 O6 P2 -","- C56 H60 N4 O12 P4 -","2","0.5","PS5019","Gholivand, Khodayar; Valmoozi, Ali A. Ebrahimi; Mahzouni, Hamid R.","Structural and electronic aspects of hydrogen bonding in two polymorphs of butylene-<i>N</i>,<i>N</i>'-bis(<i>O</i>,<i>O</i>'-diarylphosphoramidate)","Acta Crystallographica Section B","2013","69","1","55","61","10.1107/S0108768112048331","","","0.71073","MoKα","","0.0641","0.0474","","","0.1111","0.1205","","","","","","1.006","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105328","11.3837","0.0002","19.6293","0.0004","4.56079","0.00013","90","","90","","90","","1019.13","0.04","180","2","180","2","","","","","","","","4","F d d 2","F 2 -2d","43","","1,3-dimethylurea","","- C3 H8 N2 O -","- C3 H8 N2 O -","- C24 H64 N16 O8 -","8","0.5","PS5022","Näther, Christian; Döring, Cindy; Jess, Inke; Jones, Peter G.; Taouss, Christina","Thermodynamic and structural relationships between the two polymorphs of 1,3-dimethylurea","Acta Crystallographica Section B","2013","69","1","70","76","10.1107/S0108768112049324","","","1.54184","CuKα","","0.0294","0.0294","","","0.0803","0.0804","","","","","","1.126","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105329","10.8522","0.0006","4.9102","0.0003","4.5766","0.0003","90","","90","","90","","243.87","0.03","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","1,3-dimethylurea","","- C3 H8 N2 O -","- C3 H8 N2 O -","- C6 H16 N4 O2 -","2","0.5","PS5022","Näther, Christian; Döring, Cindy; Jess, Inke; Jones, Peter G.; Taouss, Christina","Thermodynamic and structural relationships between the two polymorphs of 1,3-dimethylurea","Acta Crystallographica Section B","2013","69","1","70","76","10.1107/S0108768112049324","","","0.71073","MoKα","","0.029","0.0288","","","0.0768","0.0771","","","","","","1.144","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105439","11.3416","0.0003","9.0552","0.0003","11.803","0.0004","90","","109.413","0.002","90","","1143.26","0.06","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H13 F3 N3 O2 P -","- C7 H13 F3 N3 O2 P -","- C28 H52 F12 N12 O8 P4 -","4","1","DK5007","Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid","Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database","Acta Crystallographica Section B","2013","69","2","184","194","10.1107/S0108768113002656","","","0.71073","MoKα","","0.0423","0.0359","","","0.0888","0.0936","","","","","","1.034","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105440","10.1526","0.0004","12.902","0.0006","18.5334","0.0009","90","","92.724","0.004","90","","2424.93","0.19","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H32 Cl2 N3 O2 P -","- C21 H32 Cl2 N3 O2 P -","- C84 H128 Cl8 N12 O8 P4 -","4","1","DK5007","Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid","Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database","Acta Crystallographica Section B","2013","69","2","184","194","10.1107/S0108768113002656","","","0.71073","MoKα","","0.0649","0.0525","","","0.1379","0.1464","","","","","","1.015","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105441","10.0375","0.0002","23.0525","0.0007","10.17","0.0003","90","","96.809","0.002","90","","2336.63","0.11","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl2 N3 O2 P -","- C23 H24 Cl2 N3 O2 P -","- C92 H96 Cl8 N12 O8 P4 -","4","1","DK5007","Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid","Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database","Acta Crystallographica Section B","2013","69","2","184","194","10.1107/S0108768113002656","","","0.71073","MoKα","","0.0664","0.0501","","","0.1061","0.1139","","","","","","1.037","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105442","9.7455","0.0002","10.0122","0.0003","11.7163","0.0003","66.278","0.003","67.729","0.002","84.121","0.002","966.85","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 Cl2 N3 O2 P -","- C15 H24 Cl2 N3 O2 P -","- C30 H48 Cl4 N6 O4 P2 -","2","1","DK5007","Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid","Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database","Acta Crystallographica Section B","2013","69","2","184","194","10.1107/S0108768113002656","","","0.71073","MoKα","","0.0768","0.0547","","0.0674","0.0609","0.0674","","","","","","0.9719","","","","has coordinates,has Fobs","201972","2020-10-21","18:00:00",""
"2105443","28.7452","0.0004","27.0276","0.0004","15.7252","0.0001","90","","95.827","0.001","90","","12154","0.3","20","","20","","","","","","","","","3","C 1 2 1","C 2y","5","alpha-cyclodextrin 1-undecanol hydrate","","","- C80.75 H175.5 O82.25 -","- C80.8 H174.45 O81.8 -","- C323.2 H697.8 O327.2 -","4","1","EB5023","Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane","A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K","Acta Crystallographica Section B","2013","69","2","214","227","10.1107/S0108768113001778","","neutron","1.4616","neutron","","0.1486","0.1237","","","0.2876","0.3089","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105444","28.725","0.003","27.195","0.003","15.838","0.002","90","","95.92","0.01","90","","12306","2","277","2","277","2","","","","","","","","3","C 1 2 1","C 2y","5","alpha-cyclodextrin undecanol complex (water solvate)","","","- C79.46 H120.12 O73.55 -","- C79.678 H121.054 O74.048 -","- C318.712 H484.216 O296.192 -","4","1","EB5023","Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane","A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K","Acta Crystallographica Section B","2013","69","2","214","227","10.1107/S0108768113001778","","","0.9726","synchrotron","","0.0803","0.0794","","","0.2237","0.2264","","","","","","1.237","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105445","28.712","0.003","27.267","0.003","15.79","0.002","90","","95.4","0.01","90","","12307","2","277","2","277","2","","","","","","","","3","C 1 2 1","C 2y","5","alpha-cyclodextrin n-decanol hydrate","","","- C78.5 H86.4 O73.2 -","- C78.53 H86.407 O73.153 -","- C314.12 H345.628 O292.612 -","4","1","EB5023","Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane","A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K","Acta Crystallographica Section B","2013","69","2","214","227","10.1107/S0108768113001778","","","0.9726","synchrotron","","0.089","0.0889","","","0.2574","0.2581","","","","","","1.463","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105446","5.10141","0.00012","5.53079","0.00013","9.0323","0.0002","79.0266","0.001","75.7579","0.0009","78.8261","0.0009","239.586","0.01","110","","110","","","","","","","","","3","P 1","P 1","1","n-butanol","","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","2","PS5021","Derollez, Patrick; Hédoux, Alain; Guinet, Yannick; Danède, Florence; Paccou, Laurent","Structure determination of the crystalline phase of <i>n</i>-butanol by powder X-ray diffraction and study of intermolecular associations by Raman spectroscopy","Acta Crystallographica Section B","2013","69","2","195","202","10.1107/S0108768113004849","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.028879","2.94","","","","","","","has coordinates","201972","2020-10-21","18:00:00",""
"2105447","12.456","0.007","6.4891","0.0004","11.338","0.003","90","","113.57","0.05","90","","840","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-alaninium semi-oxalate hydrate","DL-alaninium semi-oxalate hydrate","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","GP5064","Zakharov, Boris A.; Boldyreva, Elena V.","A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds","Acta Crystallographica Section B","2013","69","3","271","280","10.1107/S2052519213011676","","","0.71073","MoKα","","0.0998","0.055","","","0.098","0.1146","","","","","","1.082","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105448","12.451","0.006","6.4259","0.0004","11.317","0.002","90","","113.54","0.04","90","","830.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-alaninium semi-oxalate hydrate","DL-alaninium semi-oxalate hydrate","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","GP5064","Zakharov, Boris A.; Boldyreva, Elena V.","A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds","Acta Crystallographica Section B","2013","69","3","271","280","10.1107/S2052519213011676","","","0.71073","MoKα","","0.0941","0.0503","","","0.0944","0.1108","","","","","","1.057","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105449","12.421","0.007","6.2751","0.0004","11.273","0.003","90","","113.48","0.05","90","","805.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-alaninium semi-oxalate hydrate","DL-alaninium semi-oxalate hydrate","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","GP5064","Zakharov, Boris A.; Boldyreva, Elena V.","A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds","Acta Crystallographica Section B","2013","69","3","271","280","10.1107/S2052519213011676","","","0.71073","MoKα","","0.0987","0.0489","","","0.0922","0.1121","","","","","","1.067","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105450","12.406","0.01","6.1807","0.0006","11.236","0.004","90","","113.29","0.07","90","","791.3","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-alaninium semi-oxalate hydrate","DL-alaninium semi-oxalate hydrate","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","GP5064","Zakharov, Boris A.; Boldyreva, Elena V.","A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds","Acta Crystallographica Section B","2013","69","3","271","280","10.1107/S2052519213011676","","","0.71073","MoKα","","0.0919","0.0488","","","0.0882","0.1037","","","","","","1.062","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105451","12.142","0.011","6.1377","0.0006","11.231","0.005","90","","116.97","0.09","90","","746","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-alaninium semi-oxalate hydrate","DL-alaninium semi-oxalate hydrate","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","GP5064","Zakharov, Boris A.; Boldyreva, Elena V.","A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds","Acta Crystallographica Section B","2013","69","3","271","280","10.1107/S2052519213011676","","","0.71073","MoKα","","0.0774","0.0475","","","0.0852","0.0952","","","","","","1.096","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105452","12.037","0.009","6.0534","0.0004","11.211","0.004","90","","117.41","0.07","90","","725.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-alaninium semi-oxalate hydrate","DL-alaninium semi-oxalate hydrate","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","GP5064","Zakharov, Boris A.; Boldyreva, Elena V.","A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds","Acta Crystallographica Section B","2013","69","3","271","280","10.1107/S2052519213011676","","","0.71073","MoKα","","0.0756","0.0442","","","0.0872","0.0989","","","","","","1.097","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105453","11.976","0.013","6.0032","0.0004","11.199","0.004","90","","117.61","0.06","90","","713.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-alaninium semi-oxalate hydrate","DL-alaninium semi-oxalate hydrate","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","GP5064","Zakharov, Boris A.; Boldyreva, Elena V.","A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds","Acta Crystallographica Section B","2013","69","3","271","280","10.1107/S2052519213011676","","","0.71073","MoKα","","0.0767","0.0493","","","0.109","0.1233","","","","","","1.105","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105454","11.905","0.01","5.9492","0.0004","11.185","0.003","90","","117.79","0.04","90","","700.8","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-alaninium semi-oxalate hydrate","DL-alaninium semi-oxalate hydrate","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","GP5064","Zakharov, Boris A.; Boldyreva, Elena V.","A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds","Acta Crystallographica Section B","2013","69","3","271","280","10.1107/S2052519213011676","","","0.71073","MoKα","","0.08","0.0487","","","0.0985","0.1141","","","","","","1.091","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105455","11.807","0.008","5.8748","0.0004","11.164","0.004","90","","117.98","0.06","90","","683.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DL-alaninium semi-oxalate hydrate","DL-alaninium semi-oxalate hydrate","","- C5 H11 N O7 -","- C5 H11 N O7 -","- C20 H44 N4 O28 -","4","1","GP5064","Zakharov, Boris A.; Boldyreva, Elena V.","A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds","Acta Crystallographica Section B","2013","69","3","271","280","10.1107/S2052519213011676","","","0.71073","MoKα","","0.0753","0.0475","","","0.1058","0.1206","","","","","","1.083","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105456","5.466","0.003","17.381","0.01","13.948","0.008","90","","92.079","0.011","90","","1324.3","1.3","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-oxo-N-(2-bromophenyl)-4H-chromene-2-carboxamide","","- C16 H10 Br N O3 -","- C16 H10 Br N O3 -","- C64 H40 Br4 N4 O12 -","4","1","PS5026","Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda","Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides","Acta Crystallographica Section B","2013","69","3","294","309","10.1107/S2052519213009676","","","0.71075","MoKα","","0.0386","0.035","","","0.0828","0.085","","","","","","1.075","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105457","23.047","0.008","4.8246","0.0015","12.075","0.004","90","","90","","90","","1342.7","0.8","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-oxo-N-(3-bromophenyl)-4H-chromene-2-carboxamide","","- C16 H10 Br N O3 -","- C16 H10 Br N O3 -","- C64 H40 Br4 N4 O12 -","4","1","PS5026","Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda","Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides","Acta Crystallographica Section B","2013","69","3","294","309","10.1107/S2052519213009676","","","0.71075","MoKα","","0.0234","0.0228","","","0.0622","0.0625","","","","","","1.046","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105458","5.722","0.005","7.968","0.007","14.558","0.013","96.004","0.013","99.996","0.015","92.558","0.015","648.7","1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br N O3 -","- C16 H10 Br N O3 -","- C32 H20 Br2 N2 O6 -","2","1","PS5026","Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda","Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides","Acta Crystallographica Section B","2013","69","3","294","309","10.1107/S2052519213009676","","","0.71075","MoKα","","0.0566","0.0527","","","0.1474","0.1506","","","","","","1.161","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105459","12.3425","0.001","5.885","0.004","18.316","0.015","90","","99.543","0.013","90","","1312","1.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-oxo-N-(2-nitrophenyl)-4H-chromene-2-carboxamide","","- C16 H10 N2 O5 -","- C16 H10 N2 O5 -","- C64 H40 N8 O20 -","4","1","PS5026","Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda","Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides","Acta Crystallographica Section B","2013","69","3","294","309","10.1107/S2052519213009676","","","0.71075","MoKα","","0.082","0.0672","","","0.1667","0.177","","","","","","1.164","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105460","4.7199","0.0012","15.345","0.005","19.338","0.006","90","","90","","90","","1400.6","0.7","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-oxo-N-(2-methoxyphenyl)-4H-chromene-2-carboxamide","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","PS5026","Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda","Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides","Acta Crystallographica Section B","2013","69","3","294","309","10.1107/S2052519213009676","","","0.71075","MoKα","","0.0408","0.039","","","0.0942","0.0952","","","","","","1.122","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105461","12.82","0.03","26.29","0.06","3.802","0.009","90","","90","","90","","1281","5","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-oxo-N-(3-methoxyphenyl)-4H-chromene-2-carboxamide","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","PS5026","Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda","Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides","Acta Crystallographica Section B","2013","69","3","294","309","10.1107/S2052519213009676","","","0.6889","synchrotron","","0.1682","0.103","","","0.2574","0.3337","","","","","","0.997","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105462","21.094","0.009","16.297","0.007","8.402","0.003","90","","90","","90","","2888","2","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C144 H120 N8 O24 -","8","1","PS5026","Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda","Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides","Acta Crystallographica Section B","2013","69","3","294","309","10.1107/S2052519213009676","","","0.71075","MoKα","","0.0755","0.0673","","","0.1311","0.1345","","","","","","1.218","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105463","14.327","0.004","8.468","0.002","12.708","0.003","90","","110.514","0.003","90","","1444","0.6","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(4-methylphenyl)-7-Methoxy-4-oxo-4H-chromone-2-carboxamide","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","PS5026","Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda","Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides","Acta Crystallographica Section B","2013","69","3","294","309","10.1107/S2052519213009676","","","0.71075","Mo-kα","","0.0492","0.0417","","","0.0981","0.1029","","","","","","1.066","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105464","7.4724","0.0005","9.3647","0.0004","10.5398","0.0005","88.283","0.013","71.173","0.001","72.42","0.001","663.61","0.06","120","2","120","","","","","","","","","4","P -1","-P 1","2","","N-methyl-4-oxo-N-phenyl-4H-chromene-2-carboxamide","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C34 H26 N2 O6 -","2","1","PS5026","Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda","Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides","Acta Crystallographica Section B","2013","69","3","294","309","10.1107/S2052519213009676","","","0.71075","MoKα","","0.0484","0.0401","","","0.1069","0.1131","","","","","","1.143","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105465","5.213","0.0004","8.471","0.0007","7.2048","0.0006","90","","105.362","0.006","90","","306.79","0.04","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","R-(-)-2-methylpiperazine","","- C5 H12 N2 -","- C5 H12 N2 -","- C10 H24 N4 -","2","1","RY5050","Reibenspies, Joseph; Bhuvanesh, Nattamai","Absolute structure of <i>R</i>-({-})-2-methylpiperazine and <i>S</i>-(+)-2-methylpiperazine","Acta Crystallographica Section B","2013","69","3","288","293","10.1107/S2052519213008713","","","1.54178","CuKα","","0.0366","0.0353","","","0.1024","0.1037","","","","","","1.012","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105466","5.209","0.0004","8.4798","0.0006","7.2037","0.0005","90","","105.254","0.005","90","","306.99","0.04","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","S-(+)-2-methylpiperazine","","- C5 H12 N2 -","- C5 H12 N2 -","- C10 H24 N4 -","2","1","RY5050","Reibenspies, Joseph; Bhuvanesh, Nattamai","Absolute structure of <i>R</i>-({-})-2-methylpiperazine and <i>S</i>-(+)-2-methylpiperazine","Acta Crystallographica Section B","2013","69","3","288","293","10.1107/S2052519213008713","","","1.54178","CuKα","","0.0407","0.0383","","","0.1115","0.1153","","","","","","1.03","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105467","6.0418","0.0003","11.5649","0.0005","7.1333","0.0003","90","","106.911","0.002","90","","476.87","0.04","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","R-(-)-2-methylpiperazinediium dibromide","","- C5 H14.71 Br2 N2 O0.36 -","- C5 H14.7 Br2 N2 O0.35 -","- C10 H29.4 Br4 N4 O0.7 -","2","1","RY5050","Reibenspies, Joseph; Bhuvanesh, Nattamai","Absolute structure of <i>R</i>-({-})-2-methylpiperazine and <i>S</i>-(+)-2-methylpiperazine","Acta Crystallographica Section B","2013","69","3","288","293","10.1107/S2052519213008713","","","1.54178","CuKα","","0.0199","0.0196","","","0.0594","0.0597","","","","","","1.029","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105468","6.0262","0.0003","11.555","0.0006","7.1392","0.0004","90","","107.018","0.003","90","","475.35","0.04","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","S-(+)-2-methylpiperazinediium dibromide","","- C5 H14.5 Br2 N2 O0.25 -","- C5 H14.5 Br2 N2 O0.25 -","- C10 H29 Br4 N4 O0.5 -","2","1","RY5050","Reibenspies, Joseph; Bhuvanesh, Nattamai","Absolute structure of <i>R</i>-({-})-2-methylpiperazine and <i>S</i>-(+)-2-methylpiperazine","Acta Crystallographica Section B","2013","69","3","288","293","10.1107/S2052519213008713","","","1.54178","CuKα","","0.0186","0.0185","","","0.0503","0.0504","","","","","","1.089","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2105469","13.512","0.0018","13.512","0.0018","39.022","0.005","90","","90","","120","","6169.9","1.4","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Al220.86 Cu13.7 Ta150 -","- Al220.844 Cu13.704 Ta149.96 -","- Al220.844 Cu13.704 Ta149.96 -","1","0.0416667","SN5123","Dshemuchadse, Julia; Bigler, Sandro; Simonov, Arkadiy; Weber, Thomas; Steurer, Walter","A new complex intermetallic phase in the system Al‒Cu‒Ta with familiar clusters and packing principles","Acta Crystallographica Section B","2013","69","3","238","248","10.1107/S2052519213012761","","","0.70926","MoKα1","","0.0296","0.0286","","","0.0614","0.0631","","","","","","1.221","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105470","9.8932","0.0017","10.5022","0.0019","19.228","0.004","79.853","0.003","81.589","0.002","62.86","0.002","1745.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 F2 N3 O2 P -","- C15 H24 F2 N3 O2 P -","- C60 H96 F8 N12 O8 P4 -","4","2","SO5063","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa","Hirshfeld surface analysis of new phosphoramidates","Acta Crystallographica Section B","2013","69","3","260","270","10.1107/S2052519213009445","","","0.71073","MoKα","","0.0492","0.0407","","","0.0982","0.1058","","","","","","1.049","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105471","8.7127","0.0004","10.9675","0.0008","16.8649","0.0009","90","","90","","90","","1611.55","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 F2 N3 O3 P -","- C13 H20 F2 N3 O3 P -","- C52 H80 F8 N12 O12 P4 -","4","1","SO5063","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa","Hirshfeld surface analysis of new phosphoramidates","Acta Crystallographica Section B","2013","69","3","260","270","10.1107/S2052519213009445","","","1.54178","CuKα","","0.0565","0.0435","","","0.1036","0.112","","","","","","1.021","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105472","6.4231","0.0002","9.1119","0.0003","13.6799","0.0004","90","","94.137","0.002","90","","798.55","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","tm16","","","- C16 H18 N O4 P -","- C16 H18 N O4 P -","- C32 H36 N2 O8 P2 -","2","1","SO5063","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa","Hirshfeld surface analysis of new phosphoramidates","Acta Crystallographica Section B","2013","69","3","260","270","10.1107/S2052519213009445","","","0.71073","MoKα","","0.0612","0.0434","","","0.0979","0.1071","","","","","","1.023","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105473","10.1842","0.0002","10.2741","0.0002","10.7121","0.0003","108.304","0.0008","94.3109","0.001","118.084","0.0009","904.95","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","pzn10","","","- C18 H15 Br N O3 P -","- C18 H15 Br N O3 P -","- C36 H30 Br2 N2 O6 P2 -","2","1","SO5063","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa","Hirshfeld surface analysis of new phosphoramidates","Acta Crystallographica Section B","2013","69","3","260","270","10.1107/S2052519213009445","","","0.71073","MoKα","","0.058","0.0428","","","0.0977","0.106","","","","","","1.072","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105474","19.05","0.003","8.5308","0.0012","18.821","0.003","90","","97.341","0.006","90","","3033.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 N4 O3 P2 -","- C32 H40 N4 O3 P2 -","- C128 H160 N16 O12 P8 -","4","0.5","SO5063","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa","Hirshfeld surface analysis of new phosphoramidates","Acta Crystallographica Section B","2013","69","3","260","270","10.1107/S2052519213009445","","","1.54178","CuKα","","0.0334","0.0332","","","0.0848","0.085","","","","","","1.055","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105475","13.4363","0.0009","20.3532","0.0013","9.8851","0.0006","90","","90","","90","","2703.3","0.3","90","2","90","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H32 N4 O3 P2 -","- C28 H32 N4 O3 P2 -","- C112 H128 N16 O12 P8 -","4","0.5","SO5063","Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa","Hirshfeld surface analysis of new phosphoramidates","Acta Crystallographica Section B","2013","69","3","260","270","10.1107/S2052519213009445","","","0.71073","MoKα","","0.0431","0.0357","","","0.0953","0.1007","","","","","","1.069","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105476","9.4644","0.0006","9.4644","0.0005","31.9063","0.0019","90","","90","","90","","2858","0.3","300","1","300","1","","","","","","","","3","P 4/m c c","-P 4 2c","124","","","","- I3 Nb10 Se40 -","- I3 Nb10 Se40 -","- I6 Nb20 Se80 -","2","0.125","WF5106","Zubko, Maciej; Kusz, Joachim; Prodan, Albert; Šturm, Sašo; van Midden, Herman J. P.; Bennett, J. Craig; Dubin, Grzegorz; Zupanič, Erik; Böhm, Horst","Structural phase transition and related electronic properties in quasi-one-dimensional (NbSe~4~)~10/3~I","Acta Crystallographica Section B","2013","69","3","229","237","10.1107/S2052519213010336","","","0.71073","MoKα","","0.0482","0.032","","","0.0768","0.0806","","","","","","1.031","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105477","9.4415","0.0006","9.4235","0.0007","31.883","0.003","90","","92.352","0.008","90","","2834.3","0.4","100","1","100","1","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- I3 Nb10 Se40 -","- I3 Nb10 Se40 -","- I6 Nb20 Se80 -","2","0.5","WF5106","Zubko, Maciej; Kusz, Joachim; Prodan, Albert; Šturm, Sašo; van Midden, Herman J. P.; Bennett, J. Craig; Dubin, Grzegorz; Zupanič, Erik; Böhm, Horst","Structural phase transition and related electronic properties in quasi-one-dimensional (NbSe~4~)~10/3~I","Acta Crystallographica Section B","2013","69","3","229","237","10.1107/S2052519213010336","","","1.54184","CuKα","","0.0905","0.0581","","","0.1351","0.153","","","","","","1.19","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105479","7.6615","0.0007","7.6945","0.0006","8.0283","0.0006","78.182","0.007","73.785","0.007","81.448","0.007","442.71","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H6 N2 S -","- C2 H6 N2 S -","- C8 H24 N8 S4 -","4","2","GP5065","Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena","Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns","Acta Crystallographica Section B","2013","69","4","405","413","10.1107/S2052519213013481","","","0.71073","MoKα","","0.028","0.0233","","","0.0563","0.0586","","","","","","1.104","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105480","6.15884","0.00015","11.5953","0.0003","14.639","0.0004","90","","90","","90","","1045.42","0.05","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H8 N2 S -","- C3 H8 N2 S -","- C24 H64 N16 S8 -","8","1","GP5065","Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena","Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns","Acta Crystallographica Section B","2013","69","4","405","413","10.1107/S2052519213013481","","","0.71073","MoKα","","0.0316","0.0256","","","0.06","0.0625","","","","","","1.068","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105481","6.56953","0.00019","8.7346","0.0003","16.2322","0.0005","90","","96.964","0.003","90","","924.57","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 N3 O S -","- C6 H15 N3 O S -","- C24 H60 N12 O4 S4 -","4","1","GP5065","Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena","Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns","Acta Crystallographica Section B","2013","69","4","405","413","10.1107/S2052519213013481","","","0.71073","MoKα","","0.0288","0.0246","","","0.0624","0.0648","","","","","","1.049","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105482","6.4979","0.0002","7.0116","0.0003","16.7097","0.0006","90","","92.982","0.004","90","","760.27","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 N2 O S -","- C5 H12 N2 O S -","- C20 H48 N8 O4 S4 -","4","1","GP5065","Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena","Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns","Acta Crystallographica Section B","2013","69","4","405","413","10.1107/S2052519213013481","","","0.71073","MoKα","","0.0367","0.0297","","","0.0713","0.0749","","","","","","1.076","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105483","6.847","0.0004","7.0982","0.0004","8.6412","0.0003","106.676","0.005","105.448","0.005","90.679","0.004","386","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H12 N2 O S -","- C5 H12 N2 O S -","- C10 H24 N4 O2 S2 -","2","1","GP5065","Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena","Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns","Acta Crystallographica Section B","2013","69","4","405","413","10.1107/S2052519213013481","","","0.71073","MoKα","","0.0242","0.0228","","","0.059","0.0598","","","","","","1.059","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105484","5.4621","0.0002","12.0353","0.0004","10.9309","0.0004","90","","95.641","0.004","90","","715.1","0.04","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 H12 N2 S -","- C5 H12 N2 S -","- C20 H48 N8 S4 -","4","0.5","GP5065","Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena","Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns","Acta Crystallographica Section B","2013","69","4","405","413","10.1107/S2052519213013481","","","0.71073","MoKα","","0.0255","0.0224","","","0.0577","0.0593","","","","","","1.062","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105485","8.282","0.004","10.095","0.005","11.613","0.006","90.44","0.05","110.07","0.06","100.64","0.05","893.6","0.9","126","","126","","","","","","","","","4","P -1","-P 1","2","","","","- H13 N3 O8 S2 -","- H13 N3 O8 S2 -","- H52 N12 O32 S8 -","4","2","HW5024","Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot","Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions","Acta Crystallographica Section B","2013","69","4","336","343","10.1107/S2052519213013092","","","0.71073","MoKα","","0.0764","0.039","","","0.1116","0.1172","","","","","","0.942","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105486","15.473","0.008","5.849","0.003","10.131","0.005","90","","101.75","0.05","90","","897.7","0.8","250","","250","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- H13 N3 O8 S2 -","- H13 N3 O8 S2 -","- H52 N12 O32 S8 -","4","1","HW5024","Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot","Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions","Acta Crystallographica Section B","2013","69","4","336","343","10.1107/S2052519213013092","","neutron","0.87","neutron","","0.0963","0.066","","","0.1334","0.1402","","","","","","3.26","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105487","15.534","0.008","5.825","0.003","10.089","0.005","90","","101.52","0.05","90","","894.5","0.8","150","","150","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- H13 N3 O8 S2 -","- H13 N3 O8 S2 -","- H52 N12 O32 S8 -","4","1","HW5024","Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot","Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions","Acta Crystallographica Section B","2013","69","4","336","343","10.1107/S2052519213013092","","neutron","0.87","neutron","","0.0693","0.0581","","","0.1343","0.1385","","","","","","4.11","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105488","15.538","0.008","11.641","0.006","10.085","0.005","90","","101.46","0.05","90","","1787.8","1.6","138.5","","138.5","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- H13 N3 O8 S2 -","- H13 N3 O8 S2 -","- H104 N24 O64 S16 -","8","2","HW5024","Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot","Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions","Acta Crystallographica Section B","2013","69","4","336","343","10.1107/S2052519213013092","","neutron","0.87","neutron","","0.1231","0.0832","","","0.1573","0.1657","","","","","","4.02","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105489","12.7","0.003","12.7","0.003","12.7","0.003","90","","90","","90","","2048.4","0.8","85","2","85","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","tetralithium hypodiphosphate hexahydrate","","","- H12 Li4 O12 P2 -","- H12 Li4 O12 P2 -","- H96 Li32 O96 P16 -","8","0.166667","PI5015","Kinzhybalo, Vasyl; Mermer, Adrian; Lis, Tadeusz; Starynowicz, Przemysław","Electron density distribution in tetralithium hypodiphosphate hexahydrate, Li~4~P~2~O~6~·6H~2~O","Acta Crystallographica Section B","2013","69","4","344","355","10.1107/S2052519213017442","","","0.7107","MoKα","","0.019","0.014","","","","0.013","","","","","","1.723","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105490","20.214","0.002","6.8155","0.0009","15.863","0.0019","90","","109.604","0.009","90","","2058.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl N5 O2 -","- C22 H24 Cl N5 O2 -","- C88 H96 Cl4 N20 O8 -","4","1","ZB5028","Bruni, Giovanna; Maietta, Mariarosa; Scotti, Federico; Maggi, Lauretta; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Girella, Alessandro; Marini, Amedeo","Structure and properties of domperidone and its succinate salt","Acta Crystallographica Section B","2013","69","4","362","370","10.1107/S2052519213016989","","","0.71073","MoKα","","0.0955","0.0479","","","0.098","0.1167","","","","","","1.005","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105491","6.3869","0.0015","8.9838","0.0015","23.094","0.007","89.89","0.02","82.52","0.03","86.52","0.03","1311.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 Cl N5 O6 -","- C26 H30 Cl N5 O6 -","- C52 H60 Cl2 N10 O12 -","2","1","ZB5028","Bruni, Giovanna; Maietta, Mariarosa; Scotti, Federico; Maggi, Lauretta; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Girella, Alessandro; Marini, Amedeo","Structure and properties of domperidone and its succinate salt","Acta Crystallographica Section B","2013","69","4","362","370","10.1107/S2052519213016989","","","0.71073","MoKα","","0.1067","0.0695","","","0.1268","0.1513","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105492","9.5932","0.0003","7.8325","0.0003","11.9547","0.0004","90","","103.83","0.003","90","","872.22","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C32 H56 N8 O8 -","4","1","ZB5029","Herman, Christelle; Vermylen, Valérie; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam","Acta Crystallographica Section B","2013","69","4","371","378","10.1107/S2052519213015054","","","0.71073","MoKα","","0.0574","0.0414","","","0.1169","0.122","","","","","","1.012","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105493","9.302","0.0008","11.5223","0.0007","8.4172","0.0005","90","","95.966","0.007","90","","897.27","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C32 H56 N8 O8 -","4","1","ZB5029","Herman, Christelle; Vermylen, Valérie; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam","Acta Crystallographica Section B","2013","69","4","371","378","10.1107/S2052519213015054","","","0.71073","MoKα","","0.2165","0.0522","","","0.108","0.1461","","","","","","0.659","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105494","7.2006","0.0005","7.9639","0.0005","9.5468","0.0006","85.293","0.005","76.031","0.006","70.023","0.006","499.3","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H16 N2 O3 -","- C8 H16 N2 O3 -","- C16 H32 N4 O6 -","2","1","ZB5029","Herman, Christelle; Vermylen, Valérie; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam","Acta Crystallographica Section B","2013","69","4","371","378","10.1107/S2052519213015054","","","0.71073","MoKα","","0.0791","0.047","","","0.1243","0.1337","","","","","","0.939","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105496","5.947","0.0004","10.4021","0.0005","13.5773","0.0007","90","","90","","90","","839.91","0.08","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H8 Fe O8 -","- C6 H8 Fe O8 -","- C24 H32 Fe4 O32 -","4","1","BP5057","Birsa Čelič, Tadeja; Jagličič, Zvonko; Lazar, Karoly; Zabukovec Logar, Nataša","Structure and magnetic properties of a new iron(II) citrate coordination polymer","Acta Crystallographica Section B","2013","69","5","490","495","10.1107/S2052519213023713","","","0.71073","MoKα","","0.039","0.0355","","","0.0947","0.1019","","","","","","0.81","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105497","9.4384","0.0007","9.4384","0.0007","29.75","0.003","90","","90","","90","","2650.2","0.4","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H32 Cr N8 O12 Rh4 -","- C16 H32 Cr N8 O12 Rh4 -","- C64 H128 Cr4 N32 O48 Rh16 -","4","0.25","RY5054","Ebihara, Masahiro; Fuma, Yasuhiro","Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions","Acta Crystallographica Section B","2013","69","5","480","489","10.1107/S2052519213024068","","","0.71069","MoKα","","0.0583","0.045","","","0.0749","0.0776","","","","","","1.275","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105498","9.5725","0.0008","9.5725","0.0008","29.627","0.003","90","","90","","90","","2714.8","0.4","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H32 Mo N8 O12 Rh4 -","- C16 H32 Mo N8 O12 Rh4 -","- C64 H128 Mo4 N32 O48 Rh16 -","4","0.25","RY5054","Ebihara, Masahiro; Fuma, Yasuhiro","Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions","Acta Crystallographica Section B","2013","69","5","480","489","10.1107/S2052519213024068","","","0.71069","MoKα","","0.0781","0.0608","","","0.0876","0.0913","","","","","","1.298","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105499","9.5905","0.0008","9.5905","0.0008","29.625","0.003","90","","90","","90","","2724.8","0.4","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H32 N8 O12 Rh4 W -","- C16 H32 N8 O12 Rh4 W -","- C64 H128 N32 O48 Rh16 W4 -","4","0.25","RY5054","Ebihara, Masahiro; Fuma, Yasuhiro","Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions","Acta Crystallographica Section B","2013","69","5","480","489","10.1107/S2052519213024068","","","0.71069","MoKα","","0.0759","0.0504","","","0.0771","0.0816","","","","","","1.234","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105500","9.4232","0.0005","9.4232","0.0005","30.168","0.003","90","","90","","90","","2678.8","0.3","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H32 Cr N8 O12 Ru4 -","- C16 H32 Cr N8 O12 Ru4 -","- C64 H128 Cr4 N32 O48 Ru16 -","4","0.25","RY5054","Ebihara, Masahiro; Fuma, Yasuhiro","Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions","Acta Crystallographica Section B","2013","69","5","480","489","10.1107/S2052519213024068","","","0.71069","MoKα","","0.0425","0.0383","","","0.0653","0.0663","","","","","","1.329","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105501","9.5504","0.0005","9.5504","0.0005","29.933","0.003","90","","90","","90","","2730.2","0.3","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H32 Mo N8 O12 Ru4 -","- C16 H32 Mo N8 O12 Ru4 -","- C64 H128 Mo4 N32 O48 Ru16 -","4","0.25","RY5054","Ebihara, Masahiro; Fuma, Yasuhiro","Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions","Acta Crystallographica Section B","2013","69","5","480","489","10.1107/S2052519213024068","","","0.71069","MoKα","","0.0825","0.0559","","","0.0968","0.1047","","","","","","1.023","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105502","9.5668","0.0007","9.5668","0.0007","29.98","0.003","90","","90","","90","","2743.9","0.4","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H32 N8 O12 Ru4 W -","- C16 H32 N8 O12 Ru4 W -","- C64 H128 N32 O48 Ru16 W4 -","4","0.25","RY5054","Ebihara, Masahiro; Fuma, Yasuhiro","Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions","Acta Crystallographica Section B","2013","69","5","480","489","10.1107/S2052519213024068","","","0.7107","MoKα","","0.0421","0.0397","","","0.0687","0.0693","","","","","","1.257","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105503","12.978","0.002","13.576","0.003","14.498","0.003","112.405","0.005","101.362","0.004","106.816","0.005","2119.9","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H50.16 Cr N8 O13.08 Rh4 -","- C24 H48 Cr N8 O13.08 Rh4 -","- C48 H96 Cr2 N16 O26.16 Rh8 -","2","1","RY5054","Ebihara, Masahiro; Fuma, Yasuhiro","Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions","Acta Crystallographica Section B","2013","69","5","480","489","10.1107/S2052519213024068","","","0.7107","MoKα","","0.1407","0.0886","","","0.119","0.133","","","","","","1.173","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105504","12.952","0.004","13.849","0.005","14.679","0.005","112.46","0.002","99.574","0.002","108.472","0.003","2180.4","1.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H52.88 Mo N8 O14.44 Rh4 -","- C24 H48 Mo N8 O14.436 Rh4 -","- C48 H96 Mo2 N16 O28.872 Rh8 -","2","1","RY5054","Ebihara, Masahiro; Fuma, Yasuhiro","Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions","Acta Crystallographica Section B","2013","69","5","480","489","10.1107/S2052519213024068","","","0.7107","MoKα","","0.0462","0.0362","","","0.0746","0.0781","","","","","","1.088","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2105505","15.567","0.004","15.778","0.004","19.221","0.005","87.72","0.006","89.872","0.006","78.448","0.005","4622","2","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H64 Mo N8 O12 Rh4 -","- C32 H64 Mo N8 O12 Rh4 -","- C128 H256 Mo4 N32 O48 Rh16 -","4","2","RY5054","Ebihara, Masahiro; Fuma, Yasuhiro","Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions","Acta Crystallographica Section B","2013","69","5","480","489","10.1107/S2052519213024068","","","0.7107","MoKα","","0.1192","0.0624","","","0.0922","0.1041","","","","","","1.021","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2105506","37.8883","0.0018","4.7233","0.0002","11.6835","0.0012","90","","90","0.007","90","","2090.9","0.3","293","","293","","","","","","","","","3","X c","Xc","","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C80 H112 O40 -","8","","DK5017","Jahangiri, Amita; Fleckhaus, Andre; Lidin, Sven; Strand, Daniel","Allotwinning in a molecular crystal: (1<i>R</i>,3<i>S</i>)-dimethyl 2-oxocyclohexane-1,3-dicarboxylate","Acta Crystallographica Section B","2013","69","5","509","513","10.1107/S2052519213018605","","","0.7107","MoKα","","0.0873","0.0497","","","0.1229","0.145","","","","","","1.34","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105683","5.451","0.002","19.493","0.001","5.441","0.002","90","","100.12","0.05","90","","569.1","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","Glycine Silver Nitrate","Glycine Silver Nitrate","","- C4 H10 Ag2 N4 O10 -","- C4 H10 Ag2 N4 O10 -","- C8 H20 Ag4 N8 O20 -","2","1","BP5051","Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J.","Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study","Acta Crystallographica Section B","2013","69","6","595","602","10.1107/S2052519213024573","","neutron","1.1761","neutron","","0.0591","0.059","","","0.1566","0.1567","","","","","","1.198","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105684","5.451","0.005","19.493","0.009","5.541","0.002","90","","100.2","0.06","90","","579.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Glycine Silver Nitrate","Glycine Silver Nitrate","","- C4 H10 Ag2 N4 O10 -","- C2 H5 Ag N2 O5 -","- C8 H20 Ag4 N8 O20 -","4","1","BP5051","Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J.","Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study","Acta Crystallographica Section B","2013","69","6","595","602","10.1107/S2052519213024573","","neutron","1.1761","neutron","","0.166","0.1583","","","0.4049","0.4062","","","","","","2.169","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105685","9.5387","0.0008","8.6601","0.0007","5.262","0.0004","90","","108.701","0.006","90","","411.72","0.06","296","","296","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Mg2 O6 Si2 -","- Mg2 O6 Si2 -","- Mg8 O24 Si8 -","4","0.5","BP5052","Yoshiasa, Akira; Nakatsuka, Akihiko; Okube, Maki; Katsura, Tomoo","Single-crystal metastable high-temperature <i>C</i>2/<i>c</i> clinoenstatite quenched rapidly from high temperature and high pressure","Acta Crystallographica Section B","2013","69","6","541","546","10.1107/S2052519213028248","","","0.71069","MoKα","","","0.029","","","","0.0195","","","","","","1.508","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105686","10.8746","0.0008","11.2843","0.0007","15.0197","0.0007","99.886","0.005","96.852","0.005","94.714","0.005","1792.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H18 N3 S6 Sb -","- C9 H18 N3 S6 Sb -","- C36 H72 N12 S24 Sb4 -","4","2","BP5059","Chauhan, H. P. S.; Carpenter, Jaswant","Supramolecular association <i>via</i> Sb···S and C—H···S interactions in dimeric <i>tris</i>(<i>N</i>,<i>N</i>-dimethyldithiocarbamato-<i>S</i>,<i>S</i>')antimony(III): an approach to overcome the concept of steric bulk on such interactions","Acta Crystallographica Section B","2013","69","6","613","620","10.1107/S2052519213029618","","","0.71073","MoKα","","0.1644","0.1432","","","0.3653","0.4007","","","","","","1.422","","","","has coordinates","188723","2020-10-21","18:00:00",""
"2105687","4.3352","0.0001","4.4251","0.0001","26.7006","0.0009","90","","90","","90","","512.22","0.02","293","2","293","2","","","","","","","","2","P m m m","-P 2 2","47","","beta-triterbium heptastannide","","- Sn6.97 Tb3 -","- Sn6.97 Tb3 -","- Sn13.94 Tb6 -","2","0.25","DK5011","Oshchapovsky, Igor; Pavlyuk, Volodymyr; Chumak, Igor","Tb~3~Sn~7~: polymorphism and crystal structure of high-temperature modification","Acta Crystallographica Section B","2013","69","6","527","533","10.1107/S2052519213024378","","","0.71073","MoKα","","0.0425","0.0279","","","0.0867","0.0876","","","","","","1.066","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105688","9.2532","0.001","10.1555","0.0016","12.661","0.0012","90","","90","","90","","1189.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-(1-amino-ethylidene)-2-methoxy-2-oxo-2,3-dihydro-2λ^5^-benzo[e][1,2] oxaphosphinin-4-one","","- C11 H12 N O4 P -","- C11 H12 N O4 P -","- C44 H48 N4 O16 P4 -","4","1","GW5021","Małecka, Magdalena; Mondal, Swastik; van Smaalen, Sander; Paulmann, Carsten","Charge density distribution of 3-(1-aminoethylidene)-2-methoxy-2-oxo-2,3-dihydro-2λ^5^-benzo[<i>e</i>][1,2]oxaphosphinin-4-one","Acta Crystallographica Section B","2013","69","6","621","628","10.1107/S2052519213027267","","","0.6","synchrotron","","0.018","0.015","","","","0.017","0.023","","","","","1.372","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105689","13.77027","0.00017","6.63687","0.00008","10.35113","0.00014","90","","121.479","0.0003","90","","806.779","0.018","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F Mn Na O4 S -","- F Mn Na O4 S -","- F8 Mn8 Na8 O32 S8 -","8","1","KD5072","Barpanda, Prabeer; Ling, Chris D.; Oyama, Gosuke; Yamada, Atsuo","Sodium manganese fluorosulfate with a triplite structure","Acta Crystallographica Section B","2013","69","6","584","588","10.1107/S2052519213024093","powder diffraction","x-ray","0.58966","","","","","","","","","0.04073","","2.17","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105690","13.8784","0.0015","8.3444","0.0009","6.9228","0.0007","90","","92.832","0.0013","90","","800.73","0.15","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N Na O3 -","- C6 H10 N Na O3 -","- C24 H40 N4 Na4 O12 -","4","1","PS5030","Clegg, William; Tooke, Duncan M.","Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures","Acta Crystallographica Section B","2013","69","6","603","612","10.1107/S2052519213025980","","","0.71073","MoKα","","0.0406","0.034","","","0.0912","0.0956","","","","","","1.034","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105691","8.2804","0.0014","28.818","0.005","7.2304","0.0012","90","","90","","90","","1725.4","0.5","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C6 H10 K N O3 -","- C6 H10 K N O3 -","- C48 H80 K8 N8 O24 -","8","1","PS5030","Clegg, William; Tooke, Duncan M.","Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures","Acta Crystallographica Section B","2013","69","6","603","612","10.1107/S2052519213025980","","","0.71073","MoKα","","0.0663","0.0471","","","0.0907","0.0975","","","","","","1.105","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105692","13.9109","0.0016","7.8661","0.0009","7.0235","0.0008","90","","98.8733","0.0015","90","","759.35","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N O2 Rb -","- C6 H8 N O2 Rb -","- C24 H32 N4 O8 Rb4 -","4","1","PS5030","Clegg, William; Tooke, Duncan M.","Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures","Acta Crystallographica Section B","2013","69","6","603","612","10.1107/S2052519213025980","","","0.71073","MoKα","","0.0368","0.0303","","","0.0743","0.0788","","","","","","1.039","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105693","14.174","0.003","8.2056","0.0014","7.0984","0.0012","90","","100.605","0.002","90","","811.5","0.3","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cs N O2 -","- C6 H8 Cs N O2 -","- C24 H32 Cs4 N4 O8 -","4","1","PS5030","Clegg, William; Tooke, Duncan M.","Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures","Acta Crystallographica Section B","2013","69","6","603","612","10.1107/S2052519213025980","","","0.71073","MoKα","","0.0417","0.0365","","","0.093","0.098","","","","","","1.048","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105694","10.764","0.002","12.106","0.002","7.1736","0.0013","90","","92.363","0.003","90","","934","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cs N O2 -","- C7 H10 Cs N O2 -","- C28 H40 Cs4 N4 O8 -","4","1","PS5030","Clegg, William; Tooke, Duncan M.","Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures","Acta Crystallographica Section B","2013","69","6","603","612","10.1107/S2052519213025980","","","0.71073","MoKα","","0.0635","0.0395","","","0.0868","0.0971","","","","","","1.023","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105695","11.6376","0.001","24.98","0.002","7.2431","0.0006","90","","100.756","0.0011","90","","2068.6","0.3","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cs N O2 -","- C8 H12 Cs N O2 -","- C64 H96 Cs8 N8 O16 -","8","2","PS5030","Clegg, William; Tooke, Duncan M.","Alkali metal complexes of 6-methyl-2-pyridone: simple formulae, but not so simple structures","Acta Crystallographica Section B","2013","69","6","603","612","10.1107/S2052519213025980","","","0.71073","MoKα","","0.0387","0.0286","","","0.0604","0.064","","","","","","1.055","","","","has coordinates","223448","2020-10-21","18:00:00",""
"2105936","37.8883","","4.7233","","11.6835","","90","","90","","90","","2090.85","","293","","293","","","","","","","","","3","Xmc21","Xmc21","","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C80 H112 O40 -","8","","DK5017","Jahangiri, Amita; Fleckhaus, Andre; Lidin, Sven; Strand, Daniel","Allotwinning in a molecular crystal: (1<i>R</i>,3<i>S</i>)-dimethyl 2-oxocyclohexane-1,3-dicarboxylate","Acta Crystallographica Section B","2013","69","5","509","513","10.1107/S2052519213018605","","","0.7107","MoKα","","0.0873","0.0497","","","0.1229","0.145","","","","","","1.34","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105937","11.3416","0.0003","9.0552","0.0003","11.803","0.0004","90","","109.413","0.002","90","","1143.26","0.06","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H13 F3 N3 O2 P -","- C7 H13 F3 N3 O2 P -","- C28 H52 F12 N12 O8 P4 -","4","1","DK5007","Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid","Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database","Acta Crystallographica Section B","2013","69","2","184","194","10.1107/S2052519213002650","","","0.71073","MoKα","","0.0423","0.0359","","","0.0888","0.0936","","","","","","1.034","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105938","10.1526","0.0004","12.902","0.0006","18.5334","0.0009","90","","92.724","0.004","90","","2424.93","0.19","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H32 Cl2 N3 O2 P -","- C21 H32 Cl2 N3 O2 P -","- C84 H128 Cl8 N12 O8 P4 -","4","1","DK5007","Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid","Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database","Acta Crystallographica Section B","2013","69","2","184","194","10.1107/S2052519213002650","","","0.71073","MoKα","","0.0649","0.0525","","","0.1379","0.1464","","","","","","1.015","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105939","10.0375","0.0002","23.0525","0.0007","10.17","0.0003","90","","96.809","0.002","90","","2336.63","0.11","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cl2 N3 O2 P -","- C23 H24 Cl2 N3 O2 P -","- C92 H96 Cl8 N12 O8 P4 -","4","1","DK5007","Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid","Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database","Acta Crystallographica Section B","2013","69","2","184","194","10.1107/S2052519213002650","","","0.71073","MoKα","","0.0664","0.0501","","","0.1061","0.1139","","","","","","1.037","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2105940","9.7455","0.0002","10.0122","0.0003","11.7163","0.0003","66.278","0.003","67.729","0.002","84.121","0.002","966.85","0.05","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 Cl2 N3 O2 P -","- C15 H24 Cl2 N3 O2 P -","- C30 H48 Cl4 N6 O4 P2 -","2","1","DK5007","Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid","Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database","Acta Crystallographica Section B","2013","69","2","184","194","10.1107/S2052519213002650","","","0.71073","MoKα","","0.0768","0.0547","","0.0674","0.0609","0.0674","","","","","","0.9719","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105941","5.10141","0.00012","5.53079","0.00013","9.0323","0.0002","79.0266","0.001","75.7579","0.0009","78.8261","0.0009","239.586","0.01","110","","110","","","","","","","","","3","P 1","P 1","1","n-butanol","","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","2","PS5021","Derollez, Patrick; Hédoux, Alain; Guinet, Yannick; Danède, Florence; Paccou, Laurent","Structure determination of the crystalline phase of <i>n</i>-butanol by powder X-ray diffraction and study of intermolecular associations by Raman spectroscopy","Acta Crystallographica Section B","2013","69","2","195","202","10.1107/S2052519213004843","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.028879","2.94","","","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105942","28.7452","0.0004","27.0276","0.0004","15.7252","0.0001","90","","95.827","0.001","90","","12154","0.3","20","","20","","","","","","","","","3","C 1 2 1","C 2y","5","alpha-cyclodextrin 1-undecanol hydrate","","","- C80.75 H175.5 O82.25 -","- C80.8 H174.45 O81.8 -","- C323.2 H697.8 O327.2 -","4","1","EB5023","Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane","A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K","Acta Crystallographica Section B","2013","69","2","214","227","10.1107/S2052519213001772","","","1.4616","neutron","","0.1486","0.1237","","","0.2876","0.3089","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2105943","28.725","0.003","27.195","0.003","15.838","0.002","90","","95.92","0.01","90","","12306","2","277","2","277","2","","","","","","","","3","C 1 2 1","C 2y","5","alpha-cyclodextrin undecanol complex (water solvate)","","","- C79.46 H120.12 O73.55 -","- C79.678 H121.054 O74.048 -","- C318.712 H484.216 O296.192 -","4","1","","Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane","A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K","Acta Crystallographica Section B","2013","69","2","214","227","10.1107/S2052519213001772","","","0.9726","synchrotron","","0.0803","0.0794","","","0.2237","0.2264","","","","","","1.237","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2105944","28.712","0.003","27.267","0.003","15.79","0.002","90","","95.4","0.01","90","","12307","2","277","2","277","2","","","","","","","","3","C 1 2 1","C 2y","5","alpha-cyclodextrin n-decanol hydrate","","","- C78.5 H86.4 O73.2 -","- C78.53 H86.407 O73.153 -","- C314.12 H345.628 O292.612 -","4","1","","Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane","A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K","Acta Crystallographica Section B","2013","69","2","214","227","10.1107/S2052519213001772","","","0.9726","synchrotron","","0.089","0.0889","","","0.2574","0.2581","","","","","","1.463","","","","has coordinates,has disorder,has Fobs","176768","2020-10-21","18:00:00",""
"2237103","7.5396","0.0006","17.4173","0.0014","8.2726","0.0012","90","","118.138","0.007","90","","957.96","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[aqua(glycine-κ<i>O</i>)lithium]-μ-glycine- κ^2^<i>O</i>:<i>O</i>'] bromide]","","- C4 H12 Br Li N2 O5 -","- C4 H12 Br Li N2 O5 -","- C16 H48 Br4 Li4 N8 O20 -","4","1","AA2077","Balakrishnan, T.; Ramamurthi, K.; Jeyakanthan, J.; Thamotharan, S.","<i>catena</i>-Poly[[[aqua(glycine-κ<i>O</i>)lithium]-μ-glycine-κ^2^<i>O</i>:<i>O</i>'] bromide]","Acta Crystallographica Section E","2013","69","1","m60","m61","10.1107/S1600536812050660","","","0.71073","MoKα","","0.0286","0.021","","","0.0497","0.0512","","","","","","0.961","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237104","10.4163","0.0008","24.2608","0.0018","8.0796","0.0006","90","","96.437","0.002","90","","2028.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-Ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro- 2<i>H</i>-chromene-3-carboxylate","","- C21 H25 N O7 -","- C21 H25 N O7 -","- C84 H100 N4 O28 -","4","1","AA2078","Maharramov, Abel M.; Ismiev, Arif I.; Rashidov, Bahruz A.; Askerov, Rizvan K.; Potekhin, Konstantin A.","<i>rac</i>-Ethyl 2-hydroxy-2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-3,4,5,6,7,8-hexahydro-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2013","69","1","o99","","10.1107/S1600536812050581","","","0.71073","MoKα","","0.0576","0.0441","","","0.109","0.1184","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237105","12.1339","0.001","12.1339","0.001","30.057","0.002","90","","90","","90","","4425.3","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","(Biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium trifluoromethanesulfonate","","- C21 H26 F3 O3 P S -","- C21 H26 F3 O3 P S -","- C168 H208 F24 O24 P8 S8 -","8","1","AA2079","Muller, Alfred; Holzapfel, Cedric W.","(Biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium trifluoromethanesulfonate","Acta Crystallographica Section E","2013","69","1","o20","","10.1107/S1600536812049045","","","0.71073","MoKα","","0.1183","0.0538","","","","0.1174","","","","","","0.986","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237106","7.6491","0.0008","9.1729","0.001","13.3722","0.0014","102.355","0.009","98.777","0.009","98.093","0.009","891.05","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1<i>H</i>- pyrido[3,2,1-<i>ij</i>]quinolinium tribromide","","- C15 H16 Br3 N O4 -","- C15 H16 Br3 N O4 -","- C30 H32 Br6 N2 O8 -","2","1","AA2080","Rybakov, Victor B.; Shishkina, Svitlana V.; Ukrainets, Igor V.; Golik, Nikolai Yu.; Chernenok, Igor N.","6-Ethoxycarbonyl-5,7-dihydroxy-2,3-dihydro-1<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinolinium tribromide","Acta Crystallographica Section E","2013","69","1","o82","","10.1107/S1600536812049276","","","0.71073","MoKα","","0.19","0.0676","","","0.1749","0.2171","","","","","","0.895","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237107","28.317","0.002","9.4539","0.0005","13.7684","0.001","90","","111.017","0.009","90","","3440.7","0.4","297.5","","297.5","","","","","","","","","3","C 1 2 1","C 2y","5","methandrostenolone","17β-Hydroxy-17α-methylandrosta-1,4-dien-3-one","","- C20 H28 O2 -","- C20 H28 O2 -","- C160 H224 O16 -","8","2","BG2491","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrosta-1,4-dien-3-one","Acta Crystallographica Section E","2013","69","1","o60","","10.1107/S1600536812049860","","","0.7107","MoKα","","0.1191","0.0716","","","0.1649","0.1994","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237108","16.1822","0.0007","13.5864","0.0007","7.5989","0.0002","90","","91.123","0.003","90","","1670.36","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido{(<i>E</i>)-4-dimethylamino-<i>N</i>'-[(pyridin-2-yl)methylidene- κ<i>N</i>]benzohydrazide-κ<i>O</i>}zinc","","- C15 H16 Cl2 N4 O Zn -","- C15 H16 Cl2 N4 O Zn -","- C60 H64 Cl8 N16 O4 Zn4 -","4","1","BH2455","Chaur, Manuel N.","Dichlorido{(<i>E</i>)-4-dimethylamino-<i>N</i>'-[(pyridin-2-yl)methylidene-κ<i>N</i>]benzohydrazide-κ<i>O</i>}zinc","Acta Crystallographica Section E","2013","69","1","m27","","10.1107/S1600536812049355","","","0.71073","MoKα","","0.0462","0.0354","","","0.0803","0.0843","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237109","9.7865","0.0015","9.8274","0.0015","12.1816","0.0019","99.405","0.002","94.976","0.002","101.657","0.002","1123.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-(<i>S</i>,<i>S</i>)-Bis(1-ferrocenylbut-3-enyl) ether","","- C28 H30 Fe2 O -","- C28 H30 Fe2 O -","- C56 H60 Fe4 O2 -","2","1","BH2465","Xie, Hao-Jun; Zhao, Chun-Zheng; Sun, Jun; Chen, Si; Wang, Jian-Jun","<i>rac</i>-(<i>S</i>,<i>S</i>)-Bis(1-ferrocenylbut-3-enyl) ether","Acta Crystallographica Section E","2013","69","1","m16","","10.1107/S1600536812048064","","","0.71073","MoKα","","0.0315","0.0271","","","0.093","0.0998","","","","","","0.813","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237110","12.011","0.0005","9.1633","0.0004","13.6456","0.0006","90","","97.93","0.001","90","","1487.48","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido{<i>N</i>-[5-methylthiophen-2-yl)methylidene]-2-(pyridin-2- yl)ethanamine-κ^2^<i>N</i>,<i>N</i>'}palladium(II)","","- C13 H14 Cl2 N2 Pd S -","- C13 H14 Cl2 N2 Pd S -","- C52 H56 Cl8 N8 Pd4 S4 -","4","1","BH2466","Radebe, Mduduzi P.; Onani, Martin O.; Motswainyana, William M.","Dichlorido{<i>N</i>-[(5-methylthiophen-2-yl)methylidene]-2-(pyridin-2-yl)ethanamine-κ^2^<i>N</i>,<i>N</i>'}palladium(II)","Acta Crystallographica Section E","2013","69","1","m20","","10.1107/S1600536812049240","","","0.71073","MoKα","","0.034","0.025","","","0.053","0.0563","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237111","6.3601","0.0003","11.2012","0.0006","28.3043","0.0014","90","","90","","90","","2016.42","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-16-(4-Chlorobenzylidene)estrone","","- C25 H25 Cl O2 -","- C25 H25 Cl O2 -","- C100 H100 Cl4 O8 -","4","1","BH2467","Suresh, J.; Thenmozhi, H.; Jeyachandran, Veerappan; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","(<i>E</i>)-16-(4-Chlorobenzylidene)estrone","Acta Crystallographica Section E","2013","69","1","o111","","10.1107/S1600536812050349","","","0.71073","MoKα","","0.0611","0.0431","","","0.0913","0.0995","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237112","12.98","0.003","7.6143","0.0017","12.189","0.003","90","","90.497","0.005","90","","1204.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Hydroxy-1-(4-methoxybenzyl)piperidin-2-one","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","BH2468","Pienaar, Daniel P.; Khorasani, Sanaz; de Koning, Charles B.; Michael, Joseph P.","3-Hydroxy-1-(4-methoxybenzyl)piperidin-2-one","Acta Crystallographica Section E","2013","69","1","o51","","10.1107/S1600536812049501","","","0.71073","MoKα","","0.054","0.0421","","","0.1165","0.1237","","","","","","1.08","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237113","17.352","0.004","13.07","0.003","13.444","0.003","90","","123.84","0.03","90","","2532.5","1.3","223.15","","223.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-<i>O</i>)copper(II) butane-2,3-diol monosolvate","","- C28 H26 Cu N4 O6 S -","- C28 H26 Cu N4 O6 S -","- C112 H104 Cu4 N16 O24 S4 -","4","1","BQ2380","Zhong, Kai-Long; Cao, Guo-Qing","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-<i>O</i>)copper(II) butane-2,3-diol monosolvate","Acta Crystallographica Section E","2013","69","1","m40","m41","10.1107/S1600536812049951","","","0.71073","MoKα","","0.0561","0.0459","","","0.1226","0.1346","","","","","","0.992","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237114","13.3081","0.0015","25.196","0.003","16.0355","0.0018","90","","100.094","0.002","90","","5293.7","1.1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Triphenyl[(triphenylphosphoranylidene)amino]phosphonium tetrakis(pentafluorophenyl)borate","","- C60 H30 B F20 N P2 -","- C60 H30 B F20 N P2 -","- C240 H120 B4 F80 N4 P8 -","4","1","BR2211","Vanýsek, Petr; Zheng, Chong","Triphenyl[(triphenylphosphoranylidene)amino]phosphonium tetrakis(pentafluorophenyl)borate","Acta Crystallographica Section E","2013","69","1","o87","","10.1107/S1600536812049914","","","0.71073","MoKα","","0.0464","0.0378","","","0.0985","0.104","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237115","8.8988","0.0007","11.8668","0.001","7.595","0.0006","90","","107.5","0.001","90","","764.91","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis(nitrato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)manganese(II)","","- C10 H14 Mn N4 O8 -","- C10 H14 Mn N4 O8 -","- C20 H28 Mn2 N8 O16 -","2","0.5","BR2215","Alam, Naveed; Shahid, Muhammad; Rauf, M. Khawar","Diaquabis(nitrato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)manganese(II)","Acta Crystallographica Section E","2013","69","1","m9","","10.1107/S1600536812049161","","","0.71073","MoKα","","0.0236","0.0227","","","0.0627","0.0635","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237116","10.4832","0.0003","12.2221","0.0004","18.0044","0.0006","79.691","0.003","76.725","0.003","76.19","0.003","2161.41","0.12","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) hexaoxido-μ-peroxido-disulfate(VI) <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate","","- C42 H40 N8 Ni O11 S2 -","- C42 H40 N8 Ni O10.999 S2 -","- C84 H80 N16 Ni2 O21.998 S4 -","2","1","BR2216","Harvey, Miguel Angel; Suarez, Sebastián; Doctorovich, Fabio; Baggio, Ricardo","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II) hexaoxido-μ-peroxido-disulfate(VI) <i>N</i>,<i>N</i>-dimethylformamide disolvate monohydrate","Acta Crystallographica Section E","2013","69","1","m63","m64","10.1107/S1600536812050775","","","0.71073","MoKα","","0.0941","0.0559","","","0.1588","0.1701","","","","","","1.038","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237117","8.9327","0.0005","10.0068","0.0005","14.6379","0.0011","103.988","0.004","95.023","0.004","113.775","0.003","1136.41","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 27-oxo-15-oxa-2,20- diazahexacyclo[18.6.1.0^1,8^.0^2,6^.0^9,14^.0^21,26^]heptacosa- 9,11,13,21,23,25-hexaene-7-carboxylate","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C54 H60 N4 O8 -","2","1","BT6853","Narayanan, Sibi; Srinivasan, Thothadri; Purushothaman, Santhanagopalan; Raghunathan, Raghavachary; Velmurugan, Devadasan","Ethyl 27-oxo-15-oxa-2,20-diazahexacyclo[18.6.1.0^1,8^.0^2,6^.0^9,14^.0^21,26^]heptacosa-9,11,13,21,23,25-hexaene-7-carboxylate","Acta Crystallographica Section E","2013","69","1","o23","o24","10.1107/S1600536812049082","","","0.71073","MoKα","","0.0588","0.0454","","","0.1161","0.125","","","","","","1.078","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237118","6.0412","0.0003","19.587","0.0011","7.201","0.0004","90","","110.257","0.003","90","","799.38","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(5-Chlorothiophen-2-yl)-1,2,3-selenadiazole","","- C6 H3 Cl N2 S Se -","- C6 H3 Cl N2 S Se -","- C24 H12 Cl4 N8 S4 Se4 -","4","1","BT6854","Sugumar, Paramasivam; Sankari, Subramaniyan; Manisankar, Paramasivam; Ponnuswamy, Mondikalipudur Nanjappa Gounder","4-(5-Chlorothiophen-2-yl)-1,2,3-selenadiazole","Acta Crystallographica Section E","2013","69","1","o65","","10.1107/S1600536812049549","","","0.71073","MoKα","","0.0529","0.039","","","0.1139","0.1214","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237119","12.0263","0.0006","10.742","0.0004","13.0499","0.0008","90","","112.849","0.006","90","","1553.58","0.15","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","<i>catena</i>-Poly[[[<i>O</i>,<i>O</i>'-bis(2-methylphenyl) dithiophosphato- κ^2^<i>S</i>,<i>S</i>]lead(II)]-μ-<i>O</i>,<i>O</i>'-bis(2-methylphenyl) dithiophosphato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>]","","- C28 H28 O4 P2 Pb S4 -","- C28 H28 O4 P2 Pb S4 -","- C56 H56 O8 P4 Pb2 S8 -","2","1","BT6859","Butcher, Ray J.; Ratnani, Raju; Öztürk Yildirim, Sema; Falola, Oluwaseun","<i>catena</i>-Poly[[[<i>O</i>,<i>O</i>'-bis(2-methylphenyl) dithiophosphato-κ^2^<i>S</i>,<i>S</i>]lead(II)]-μ-<i>O</i>,<i>O</i>'-bis(2-methylphenyl) dithiophosphato-κ^3^<i>S</i>,<i>S</i>':<i>S</i>]","Acta Crystallographica Section E","2013","69","1","m29","m30","10.1107/S1600536812047964","","","1.54184","CuKα","","0.0326","0.0303","","","0.0731","0.075","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237120","10.1311","0.0003","11.9582","0.0004","14.2633","0.0005","76.033","0.003","75.536","0.003","69.707","0.003","1546.42","0.09","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","Bis[1-benzyl-2-(1,3-thiazol-4-yl)-1<i>H</i>-benzimidazole- κ^2^<i>N</i>^2^,<i>N</i>^3^]dichloridocobalt(II)","","- C34 H26 Cl2 Co N6 S2 -","- C34 H26 Cl2 Co N6 S2 -","- C68 H52 Cl4 Co2 N12 S4 -","2","1","BT6860","Gueddar, Hicham; Bouhfid, Rachid; Essassi, El Mokhtar; El Brahmi, Nabil; El Ammari, Lahcen","Bis[1-benzyl-2-(1,3-thiazol-4-yl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^]dichloridocobalt(II)","Acta Crystallographica Section E","2013","69","1","m5","m6","10.1107/S1600536812048751","","","0.71073","MoKα","","0.0344","0.0304","","","0.0782","0.0802","","","","","","1.054","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237121","13.6739","0.001","7.3086","0.0006","13.388","0.0011","90","","111.184","0.004","90","","1247.54","0.17","183","2","183","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2,4,6-Trimethyl-<i>N</i>-[(1<i>H</i>-pyrrol-2-yl)methylidene]aniline","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","BT6872","Imhof, Wolfgang","(<i>E</i>)-2,4,6-Trimethyl-<i>N</i>-[(1<i>H</i>-pyrrol-2-yl)methylidene]aniline","Acta Crystallographica Section E","2013","69","1","o113","","10.1107/S160053681205057X","","","0.71073","MoKα","","0.1267","0.0515","","","0.1109","0.1265","","","","","","0.866","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237122","5.0881","0.0004","13.0313","0.0009","19.886","0.002","90","","94.194","0.007","90","","1315","0.19","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","<i>N</i>-(4-Chlorophenyl)-4-nitrobenzenesulfonamide","","- C12 H9 Cl N2 O4 S -","- C12 H9 Cl N2 O4 S -","- C48 H36 Cl4 N8 O16 S4 -","4","1","BT6873","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(4-Chlorophenyl)-4-nitrobenzenesulfonamide","Acta Crystallographica Section E","2013","69","1","o7","","10.1107/S1600536812049070","","","0.71073","MoKα","","0.0467","0.0407","","","0.0873","0.0915","","","","","","1.131","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237123","9.7214","0.0019","10.739","0.001","11.7367","0.001","114.069","0.004","99.021","0.006","95.425","0.006","1087.7","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxyphenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole","","- C27 H28 N2 O -","- C27 H28 N2 O -","- C54 H56 N4 O2 -","2","1","BT6874","Simpson, Jim; Mohamed, Shaaban K.; Marzouk, Adel A.; Talybov, Avtandil H.; Abdelhamid, Antar A.","2-(4-Methoxyphenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2013","69","1","o5","o6","10.1107/S1600536812049100","","","0.71073","MoKα","","0.0713","0.048","","","0.1181","0.132","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237124","10.024","0.0004","10.483","0.0005","12.4076","0.0005","105.385","0.004","94.669","0.003","93.096","0.003","1249.03","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","2,2-Dimethyl-5-(2-nitrobenzylidene)-1,3-dioxane-4,6-dione","","- C13 H11 N O6 -","- C13 H11 N O6 -","- C52 H44 N4 O24 -","4","2","BT6875","García-Álvarez, Fernando; Romero, Nancy; Lobato-García, Carlos E.; Terán, Joel L.; Mendoza, Angel","2,2-Dimethyl-5-(2-nitrobenzylidene)-1,3-dioxane-4,6-dione","Acta Crystallographica Section E","2013","69","1","o50","","10.1107/S1600536812049677","","","0.71073","MoKα","","0.0421","0.0346","","","","0.0883","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237125","6.8019","0.0004","12.3042","0.0006","24.3971","0.0012","100.002","0.004","93.08","0.004","98.748","0.004","1980.67","0.18","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","(<i>Z</i>)-Ethyl 2-hydroxy-4-oxo-4-(1,4,5,6,8-pentamethoxynaphthalen-2-yl)but- 2-enoate","","- C21 H24 O9 -","- C21 H24 O9 -","- C84 H96 O36 -","4","2","BT6876","Pillay, Adushan; Khorasani, Sanaz; de Koning, Charles B.","(<i>Z</i>)-Ethyl 2-hydroxy-4-oxo-4-(1,4,5,6,8-pentamethoxynaphthalen-2-yl)but-2-enoate","Acta Crystallographica Section E","2013","69","1","o54","o55","10.1107/S1600536812049203","","","0.71073","MoKα","","0.1518","0.0526","","","0.0913","0.1177","","","","","","0.839","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237126","25.1853","0.0005","8.18108","0.00009","21.0978","0.0004","90","","119.772","0.003","90","","3773.28","0.16","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2,4-Dichlorophenyl)-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro- 1<i>H</i>-pyrazol-4-yl)acetamide","","- C19 H17 Cl2 N3 O2 -","- C19 H17 Cl2 N3 O2 -","- C152 H136 Cl16 N24 O16 -","8","1","BT6879","Butcher, Ray J.; Mahan, Aneeka; Nayak, P. S.; Narayana, B.; Yathirajan, H. S.","2-(2,4-Dichlorophenyl)-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamide","Acta Crystallographica Section E","2013","69","1","o39","","10.1107/S1600536812049628","","","1.54184","CuKα","","0.0367","0.0353","","","0.0941","0.0952","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237127","8.6293","0.0005","20.1267","0.0011","19.5299","0.0011","90","","102.236","0.004","90","","3314.9","0.3","116","2","116","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-[4-(2-{5-<i>tert</i>-Butyl-2-chloro-3-[2-(3-pentyl-1,3-benzothiazol-2- ylidene)ethylidene]cyclohex-1-enyl}ethenyl)-3-cyano-5,5-dimethylfuran-2- ylidene]malononitrile","","- C36 H39 Cl N4 O S -","- C36 H39 Cl N4 O S -","- C144 H156 Cl4 N16 O4 S4 -","4","1","BX2431","Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J.","2-[4-(2-{5-<i>tert</i>-Butyl-2-chloro-3-[2-(3-pentyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclohex-1-enyl}ethenyl)-3-cyano-5,5-dimethylfuran-2-ylidene]malononitrile","Acta Crystallographica Section E","2013","69","1","o120","o121","10.1107/S1600536812050842","","","0.71073","MoKα","","0.1448","0.059","","","0.1305","0.1766","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2237128","8.5941","0.0002","12.1107","0.0004","12.6642","0.0003","70.537","0.002","73.495","0.002","73.898","0.002","1166.98","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[3a-(4-Bromophenyl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3,3a,8b-tetrahydro-1<i>H</i>-cyclopenta[<i>b</i>]benzofuran-1-yl]formamide monohydrate","","- C26 H26 Br N O6 -","- C26 H26 Br N O6 -","- C52 H52 Br2 N2 O12 -","2","1","BX2432","Aubert, Emmanuel; Thuaud, Frédéric; Ribeiro, Nigel; Désaubry, Laurent; Espinosa, Enrique","<i>N</i>-[3a-(4-Bromophenyl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3,3a,8b-tetrahydro-1<i>H</i>-cyclopenta[<i>b</i>]benzofuran-1-yl]formamide monohydrate","Acta Crystallographica Section E","2013","69","1","o52","o53","10.1107/S1600536812049641","","","1.54184","CuKα","","0.0278","0.0274","","","0.0735","0.0736","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237129","16.9888","0.0006","5.4501","0.0002","19.735","0.0008","90","","90","","90","","1827.28","0.12","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","6-Phenyloxane-2,4-dione","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","BX2433","Slater, Kara A.; Andersh, Brad; Flint, Edward B.; Ferrence, Gregory M.","6-Phenyloxane-2,4-dione","Acta Crystallographica Section E","2013","69","1","o69","","10.1107/S1600536812049781","","","0.71073","MoKα","","0.0721","0.0465","","","","0.1136","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237130","7.9657","0.0005","11.347","0.0007","23.513","0.002","90","","90","","90","","2125.3","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Glycine‒phthalic acid (1/1)","2-Azaniumylethanoate‒phthalic acid (1/1)","","- C10 H11 N O6 -","- C10 H11 N O6 -","- C80 H88 N8 O48 -","8","1","CV5360","Balakrishnan, T.; Ramamurthi, K.; Thamotharan, S.","Glycine‒phthalic acid (1/1)","Acta Crystallographica Section E","2013","69","1","o57","","10.1107/S160053681204977X","","","0.71073","MoKα","","0.0446","0.0342","","","0.086","0.0903","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237131","29.7208","0.0016","16.0089","0.0004","16.5105","0.0006","90","","106.705","0.005","90","","7524.1","0.6","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-5-(3-Cyano-2-(dicyanomethylene)-1-oxaspiro[4.5]dec-3-en-4-yl)-3- (1-methylpyridin-4(1<i>H</i>)-ylidene)pent-4-en-1-yl 3,5-bis(benzyloxy)benzoate","","- C45 H40 N4 O5 -","- C45 H40 N4 O5 -","- C360 H320 N32 O40 -","8","1","CV5370","Gainsford, Graeme J.; Clarke, David J.; Kay, Andrew J.","(<i>E</i>)-5-[3-Cyano-2-(dicyanomethylene)-1-oxaspiro[4.5]dec-3-en-4-yl]-3-(1-methyl-1,4-dihydropyridin-4-ylidene)pent-4-en-1-yl 3,5-bis(benzyloxy)benzoate","Acta Crystallographica Section E","2013","69","1","o103","o104","10.1107/S1600536812050532","","","1.54184","CuKα","","0.0817","0.0484","","","0.1205","0.1436","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237132","9.4719","0.0003","10.5057","0.0003","11.811","0.0004","96.824","0.003","108.953","0.004","98.312","0.003","1082.51","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-{2-Benzyloxy-2-[4-(morpholin-4-yl)phenyl]ethyl}-1<i>H</i>-benzimidazole","","- C26 H27 N3 O2 -","- C26 H27 N3 O2 -","- C52 H54 N6 O4 -","2","1","CV5371","Özel Güven, Özden; Çapanlar, Seval; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer","1-{2-Benzyloxy-2-[4-(morpholin-4-yl)phenyl]ethyl}-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2013","69","1","o147","o148","10.1107/S1600536812051306","","","0.71073","MoKα","","0.0705","0.0511","","","0.1248","0.135","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237133","15.714","0.0001","8.721","0.0002","22.995","0.0004","90","","104.794","0.001","90","","3046.81","0.09","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,6-Dichloroaniline‒4-(2,6-dichloroanilino)pent-3-en-2-one (1/2)","","- C28 H27 Cl6 N3 O2 -","- C28 H27 Cl6 N3 O2 -","- C112 H108 Cl24 N12 O8 -","4","0.5","FB2272","Venter, Gertruida J. S.; Steyl, Gideon; Roodt, Andreas","2,6-Dichloroaniline‒4-(2,6-dichloroanilino)pent-3-en-2-one (1/2)","Acta Crystallographica Section E","2013","69","1","o34","o35","10.1107/S1600536812049227","","","0.71073","MoKα","","0.0327","0.0272","","","","0.0765","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237134","13.059","0.004","5.3567","0.0016","19.175","0.006","90","","104.586","0.005","90","","1298.1","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-(4-Chlorophenoxy)-<i>N</i>'-(pyridin-4-ylmethylidene)acetohydrazide","","- C14 H12 Cl N3 O2 -","- C14 H12 Cl N3 O2 -","- C56 H48 Cl4 N12 O8 -","4","1","FB2275","Rao, Xiao-jin; Wu, Wen-Shi; Li, Chuan-hui; Huang, Yu-min","(<i>E</i>)-2-(4-Chlorophenoxy)-<i>N</i>'-(pyridin-4-ylmethylidene)acetohydrazide","Acta Crystallographica Section E","2013","69","1","o28","","10.1107/S1600536812045989","","","0.71073","MoKα","","0.0475","0.0411","","","0.1004","0.1038","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237135","11.479","0.0004","14.0461","0.0005","14.3702","0.0007","90","","90","","90","","2316.98","0.16","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Nitrophenyl 2-chlorobenzoate","","- C13 H8 Cl N O4 -","- C13 H8 Cl N O4 -","- C104 H64 Cl8 N8 O32 -","8","1","FF2092","Iqbal, Asma; Akhter, Toheed; Masood Siddiqi, Humaira; Akhter, Zareen; Bolte, Michael","4-Nitrophenyl 2-chlorobenzoate","Acta Crystallographica Section E","2013","69","1","o96","","10.1107/S1600536812050362","","","0.71073","MoKα","","0.048","0.0441","","","0.1026","0.1049","","","","","","1.135","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237136","9.633","0.0006","13.8174","0.0007","15.4828","0.0008","66.151","0.005","78.949","0.005","75.397","0.005","1814.56","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis(ethanamidinium) (1,10-phenanthroline-2,9-dicarboxylato)manganate(II) heptahydrate","","- C32 H40 Mn N8 O15 -","- C32 H40 Mn N8 O15 -","- C64 H80 Mn2 N16 O30 -","2","1","FI2126","Miao, Yan-Li; Wang, Hong-Bo; Song, Wen-Dong","Bis(ethanamidinium) (1,10-phenanthroline-2,9-dicarboxylato)manganate(II) heptahydrate","Acta Crystallographica Section E","2013","69","1","m10","m11","10.1107/S1600536812048350","","","1.54178","CuKα","","0.0444","0.0373","","","0.0994","0.1019","","","","","","0.951","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237137","4.7438","0.0008","13.889","0.002","21.201","0.003","70.89","0.02","89.55","0.03","88.66","0.03","1319.5","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Potassium bis(dioxovanadyl) phosphate","","- K O8 P V2 -","- K O8 P V2 -","- K8 O64 P8 V16 -","8","4","FI2128","Ezzine Yahmed, Safa; Ayed, Meriem; Zid, Mohamed Faouzi; Driss, Ahmed","β-K(VO~2~)~2~(PO~4~)","Acta Crystallographica Section E","2013","69","1","i2","","10.1107/S1600536812049884","","","0.71073","MoKα","","0.0374","0.0295","","","0.0819","0.0862","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237138","23.4154","0.0008","15.5832","0.0006","16.1012","0.0006","90","","93.926","0.002","90","","5861.3","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Hexa-μ~2~-acetato-hexa-<i>n</i>-butylhexa-μ~3~-oxido-tin(IV) toluene monosolvate","","- C43 H80 O18 Sn6 -","- C43 H80 O18 Sn6 -","- C172 H320 O72 Sn24 -","4","0.5","FJ2609","Reichelt, Martin; Reuter, Hans","Hexa-μ~2~-acetato-hexa-<i>n</i>-butylhexa-μ~3~-oxido-tin(IV) toluene monosolvate","Acta Crystallographica Section E","2013","69","1","m4","","10.1107/S160053681204888X","","","0.71073","MoKα","","0.0277","0.0202","","","0.0423","0.0458","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237139","11.0564","0.0004","9.5942","0.0003","33.4312","0.0012","90","","91.684","0.002","90","","3544.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(Diphenylcarbamoyl)- <i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethylguanidinium tetraphenylborate","","- C43 H45 B N4 O -","- C43 H45 B N4 O -","- C172 H180 B4 N16 O4 -","4","1","FK2067","Tiritiris, Ioannis","<i>N</i>-(Diphenylcarbamoyl)-<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethylguanidinium tetraphenylborate","Acta Crystallographica Section E","2013","69","1","o98","","10.1107/S1600536812050507","","","0.71073","MoKα","","0.0533","0.0426","","","0.1126","0.1208","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237140","5.7534","0.0004","16.1336","0.0008","18.198","0.0013","90","","99.371","0.006","90","","1666.65","0.19","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[Anilino(phenyl)methyl]cycloheptanone","","- C20 H23 N O -","- C20 H23 N O -","- C80 H92 N4 O4 -","4","1","FY2069","Eftekhari-Sis, Bagher; Mohajer, Sahar; Zirak, Maryam; Mozaffarnia, Sakineh; Büyükgüngör, Orhan","2-[Anilino(phenyl)methyl]cycloheptanone","Acta Crystallographica Section E","2013","69","1","o109","","10.1107/S1600536812050659","","","0.71073","MoKα","","0.0861","0.0477","","","0.12","0.1355","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237141","9.0723","0.0015","8.481","0.0014","13.135","0.002","90","","101.221","0.002","90","","991.3","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorophosphinic bis(2-chloroethyl)amide","","- C4 H8 Cl4 N O P -","- C4 H8 Cl4 N O P -","- C16 H32 Cl16 N4 O4 P4 -","4","1","FY2076","Song, Erqun; Song, Yang","Dichlorophosphinic bis(2-chloroethyl)amide","Acta Crystallographica Section E","2013","69","1","o33","","10.1107/S1600536812049586","","","0.71073","MoKα","","0.036","0.0285","","","0.0841","0.0899","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237142","23.1111","0.0006","4.7863","0.0001","10.4262","0.0002","90","","97.071","0.001","90","","1144.54","0.04","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Iodoanilino)-2-methylene-4-oxobutanoic acid","","- C11 H10 I N O3 -","- C11 H10 I N O3 -","- C44 H40 I4 N4 O12 -","4","1","GK2533","Nayak, Prakash S.; Narayana, Badiadka; Yathirajan, Hemmige S.; Gerber, Thomas; van Brecht, Benjamin; Betz, Richard","4-(4-Iodoanilino)-2-methylene-4-oxobutanoic acid","Acta Crystallographica Section E","2013","69","1","o83","","10.1107/S160053681205012X","","","0.71073","MoKα","","0.0202","0.0178","","","0.045","0.0468","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237143","13.1537","0.0006","31.0875","0.0013","8.3175","0.0003","90","","90","","90","","3401.2","0.2","200","2","200","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","7-[(Morpholin-4-yl)(phenyl)methyl]quinolin-8-ol","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C160 H160 N16 O16 -","8","","GK2537","Novina, J. Josephine; Vasuki, G.; Muthukumar, C.; Sabastiyan, A.; Crochet, A.; Fromm, K. M.","7-[(Morpholin-4-yl)(phenyl)methyl]quinolin-8-ol","Acta Crystallographica Section E","2013","69","1","o45","","10.1107/S1600536812049343","","","1.54186","CuKα","","0.0291","0.0277","","","0.073","0.0739","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237144","4.476","0.0009","13.654","0.003","12.4","0.003","90","","97.16","0.03","90","","751.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Chloro-2,4,5-trifluorobenzoic acid","","- C7 H2 Cl F3 O2 -","- C7 H2 Cl F3 O2 -","- C28 H8 Cl4 F12 O8 -","4","1","GK2539","Quan, Jing; Sun, Hong-Shun","3-Chloro-2,4,5-trifluorobenzoic acid","Acta Crystallographica Section E","2013","69","1","o30","","10.1107/S1600536812049446","","","0.71073","MoKα","","0.1162","0.0522","","","0.1109","0.1317","","","","","","1.003","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237145","13.0079","0.0005","9.9079","0.0004","17.0469","0.0009","90","","103.674","0.004","90","","2134.75","0.17","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-[(<i>E</i>)-(4-Benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl- 1<i>H</i>-pyrazol-3(2<i>H</i>)-one","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C100 H92 N12 O8 -","4","1","GK2544","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Nayak, Prakash S.; Sarojini, B. K.; Narayana, B.","A second monoclinic polymorph of 4-[(<i>E</i>)-(4-benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2013","69","1","o115","","10.1107/S1600536812050891","","","0.71073","MoKα","","0.0995","0.0547","","","0.1256","0.1535","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237146","8.87","0.0005","12.8918","0.0007","13.1062","0.0007","84.389","0.004","84.62","0.004","70.771","0.005","1405.28","0.14","290.73","0.1","290.73","0.1","","","","","","","","3","P -1","-P 1","2","ethyl-3-(9-anthracenyl)acrylate","Ethyl (<i>E</i>)-3-(anthracen-9-yl)prop-2-enoate","","- C19 H16 O2 -","- C19 H16 O2 -","- C76 H64 O8 -","4","2","GK2545","Bugenhagen, Bernhard; Al Jasem, Yosef; al Hindawi, Bassam; Al Rawashdeh, Nathir; Thiemann, Thies","Ethyl (<i>E</i>)-3-(anthracen-9-yl)prop-2-enoate","Acta Crystallographica Section E","2013","69","1","o130","o131","10.1107/S1600536812051033","","","1.5418","CuKα","","0.0634","0.0571","","","0.1662","0.1708","","","","","","1.097","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237147","4.5553","0.0006","18.001","0.003","10.7488","0.0013","90","","93.645","0.008","90","","879.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Prop-2-ynyl)-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","GK2546","Ouzidan, Younès; Kandri Rodi, Youssef; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-(Prop-2-ynyl)-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","1","o119","","10.1107/S160053681205088X","","","0.71073","MoKα","","0.0425","0.0351","","","0.0943","0.1008","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237148","13.7746","0.0003","7.4918","0.0002","18.7016","0.0007","90","","106.013","0.003","90","","1855.06","0.1","292","2","292","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","[2-(1,3-Benzothiazol-2-ylmethoxy)-5-bromophenyl](4-chlorophenyl)methanone","","- C21 H13 Br Cl N O2 S -","- C21 H13 Br Cl N O2 S -","- C84 H52 Br4 Cl4 N4 O8 S4 -","4","1","GO2078","Nayak, Susanta K.; Venugopala, K. N.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","[2-(1,3-Benzothiazol-2-ylmethoxy)-5-bromophenyl](4-chlorophenyl)methanone","Acta Crystallographica Section E","2013","69","1","o70","","10.1107/S1600536812049756","","","0.7107","MoKα","","0.0789","0.0444","","","0.085","0.0961","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237149","18.371","0.003","10.4844","0.0015","18.467","0.003","90","","90","","90","","3556.9","1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(±)-3-Benzyloxy-1-(4-methoxybenzyl)piperidine-2-thione","","- C20 H23 N O2 S -","- C20 H23 N O2 S -","- C160 H184 N8 O16 S8 -","8","1","GO2079","Pienaar, Daniel P.; Khorasani, Sanaz; de Koning, Charles B.; Michael, Joseph P.","(±)-3-Benzyloxy-1-(4-methoxybenzyl)piperidine-2-thione","Acta Crystallographica Section E","2013","69","1","o21","","10.1107/S1600536812048854","","","0.71073","MoKα","","0.0674","0.0374","","","0.0871","0.0981","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237150","13.251","0.006","6.185","0.003","16.38","0.008","90","","113.153","0.007","90","","1234.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-2-Hydroxy-3-methoxybenzylidene]-<i>N</i>- methylhydrazinecarbothioamide","","- C11 H15 N3 O2 S -","- C11 H15 N3 O2 S -","- C44 H60 N12 O8 S4 -","4","1","GW2126","Shankara, B. S.; Shashidhar, N.; Patil, Yogesh Prakash; Krishna, P. Murali; Nethaji, Munirathinam","2-[(<i>E</i>)-2-Hydroxy-3-methoxybenzylidene]-<i>N</i>-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2013","69","1","o61","","10.1107/S1600536812049847","","","0.71073","MoKα","","0.0949","0.0641","","","0.1576","0.1796","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237151","9.3497","0.0003","14.1736","0.0004","18.6086","0.0006","94.462","0.002","96.562","0.001","101.129","0.001","2391.12","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) hemihydrate","","- C54 H35 Fe N14 O2.5 -","- C54 H35 Fe N14 O2.5 -","- C108 H70 Fe2 N28 O5 -","2","1","HB6994","Setifi, Zouaoui; Setifi, Fatima; Ng, Seik Weng; Oudahmane, Abdelghani; El-Ghozzi, Malika; Avignant, Daniel","Tris(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')iron(II) bis(1,1,3,3-tetracyano-2-ethoxypropenide) hemihydrate","Acta Crystallographica Section E","2013","69","1","m12","m13","10.1107/S1600536812048611","","","0.71073","MoKα","","0.0922","0.0487","","","0.112","0.134","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2237152","12.6752","0.001","28.578","0.002","8.5659","0.0006","90","","90","","90","","3102.8","0.4","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","6-Phenylbenzo[<i>d</i>]naphtho[2,3-<i>b</i>]thiophene","","- C22 H14 S -","- C22 H14 S -","- C176 H112 S8 -","8","1","HB6995","Silambarasan, V.; Srinivasan, T.; Sivasakthikumaran, R.; Mohanakrishnan, A. K.; Velmurugan, D.","6-Phenylbenzo[<i>d</i>]naphtho[2,3-<i>b</i>]thiophene","Acta Crystallographica Section E","2013","69","1","o36","","10.1107/S1600536812049471","","","0.71073","MoKα","","0.0612","0.0429","","","0.1071","0.1179","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237153","9.9851","0.0003","10.0086","0.0002","11.3676","0.0003","102.35","0.001","97.108","0.001","95.29","0.002","1092.94","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>,2'<i>E</i>)-1,1'-Bis(6-chloro-2-methyl-4-phenylquinolin-3- yl)-3,3'-(1,4-phenylene)diprop-2-en-1-one ethyl acetate disolvate","","- C52 H46 Cl2 N2 O6 -","- C52 H46 Cl2 N2 O6 -","- C52 H46 Cl2 N2 O6 -","1","0.5","HB7004","Kedjadja, Allaoua; Merdes, Rachid; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","(2<i>E</i>,2'<i>E</i>)-1,1'-Bis(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3,3'-(1,4-phenylene)diprop-2-en-1-one ethyl acetate disolvate","Acta Crystallographica Section E","2013","69","1","o37","o38","10.1107/S1600536812049422","","","0.71073","MoKα","","0.0592","0.0483","","","0.1312","0.1402","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237154","10.2348","0.0004","16.4046","0.0007","22.3632","0.0009","90","","90","","90","","3754.7","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Chlorido[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione- κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) acetronitrile monosolvate","","- C40 H36 Cl Cu N4 P2 S -","- C40 H36 Cl Cu N4 P2 S -","- C160 H144 Cl4 Cu4 N16 P8 S4 -","4","1","HB7008","Wani, Kofsoh; Pakawatchai, Chaveng; Saithong, Saowanit","Chlorido[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione-κ<i>S</i>]bis(triphenylphosphane-κ<i>P</i>)copper(I) acetronitrile monosolvate","Acta Crystallographica Section E","2013","69","1","m34","m35","10.1107/S1600536812049537","","","0.71073","MoKα","","0.0427","0.0377","","","0.0838","0.0859","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237155","7.81","0.0016","8.397","0.0017","14.51","0.003","90","","98.01","0.03","90","","942.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Methoxy-3-(methoxymethyl)benzaldehyde","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","HB7010","Zhang, Jing-Chao; Sun, Jun; Zhang, Juan; Liu, Guang-Lin; Guo, Cheng","4-Methoxy-3-(methoxymethyl)benzaldehyde","Acta Crystallographica Section E","2013","69","1","o112","","10.1107/S1600536812050350","","","0.71073","MoKα","","0.1335","0.0629","","","0.139","0.1652","","","","","","1.005","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237156","21.1079","0.0005","8.1358","0.0001","9.0793","0.0002","90","","100.833","0.001","90","","1531.4","0.05","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[4-(Morpholin-4-ylmethyl)phenyl]benzonitrile","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C72 H72 N8 O4 -","4","1","HB7014","Meti, Gangadhar Y.; Kamble, R. R; Ravi, A. J.; Arunkashi, H. K.; Devarajegowda, H. C.","2-[4-(Morpholin-4-ylmethyl)phenyl]benzonitrile","Acta Crystallographica Section E","2013","69","1","o129","","10.1107/S1600536812050957","","","0.71073","MoKα","","0.042","0.0328","","","0.0778","0.0832","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237157","9.6016","0.0019","15.701","0.003","26.722","0.005","90","","90","","90","","4028.5","1.3","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Poly[[tetraaquadi-μ~4~-fumarato-μ~2~-oxalato-dierbium(III)] tetrahydrate]","","- C10 H20 Er2 O20 -","- C10 H20 Er2 O20 -","- C80 H160 Er16 O160 -","8","0.25","HG5272","Yang, Qing-Feng; Wang, Xiao-Zhong; Xue, Ping","Poly[[tetraaquadi-μ~4~-fumarato-μ~2~-oxalato-dierbium(III)] tetrahydrate]","Acta Crystallographica Section E","2013","69","1","m52","","10.1107/S160053681205026X","","","0.71073","MoKα","","0.0204","0.0182","","","0.0443","0.0453","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237158","5.5097","0.0004","19.9357","0.0011","24.4597","0.0016","90","","90","","90","","2686.6","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-<i>O</i>-Acetyl-3,4,6-tri-<i>O</i>-benzyl-2-<i>C</i>-bromomethyl- 2-deoxy-α-<i>D</i>-glucopyranose","","- C30 H33 Br O6 -","- C30 H33 Br O6 -","- C120 H132 Br4 O24 -","4","1","HG5273","Kinfe, Henok H.; Makolo, Felix L.; Phasha, Zanele H.","1-<i>O</i>-Acetyl-3,4,6-tri-<i>O</i>-benzyl-2-<i>C</i>-bromomethyl-2-deoxy-α-<small>D</small>-glucopyranose","Acta Crystallographica Section E","2013","69","1","o73","","10.1107/S1600536812048453","","","1.54178","CuKα","","0.0469","0.0414","","","","0.0963","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237159","7.705","0.003","8.348","0.003","12.465","0.005","84.92","0.01","72.913","0.009","86.272","0.011","762.7","0.5","123.15","","123","2","","","","","","","","7","P -1","-P 1","2","","1-(2-Chlorobenzoyl)-3-(2-trifluoromethylphenyl)thiourea","","- C15 H10 Cl F3 N2 O S -","- C15 H10 Cl F3 N2 O S -","- C30 H20 Cl2 F6 N4 O2 S2 -","2","1","HG5276","Rauf, M. Khawar; Ebihara, Masahiro; Badshah, Amin","1-(2-Chlorobenzoyl)-3-(2-trifluoromethylphenyl)thiourea","Acta Crystallographica Section E","2013","69","1","o16","","10.1107/S1600536812048829","","","0.7107","MoKα","","0.0341","0.0313","","","0.0731","0.0747","","","","","","1.067","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237160","20.3442","0.0011","12.108","0.0008","14.95","0.0008","90","","93.837","0.005","90","","3674.3","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2,6-Dichlorophenyl)-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro- 1<i>H</i>-pyrazol-4-yl)acetamide","","- C19 H17 Cl2 N3 O2 -","- C19 H17 Cl2 N3 O2 -","- C152 H136 Cl16 N24 O16 -","8","1","HG5277","Butcher, Ray J.; Mahan, Aneeka; Nayak, P. S.; Narayana, B.; Yathirajan, H. S.","2-(2,6-Dichlorophenyl)-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamide","Acta Crystallographica Section E","2013","69","1","o46","o47","10.1107/S160053681204963X","","","1.54184","CuKα","","0.0766","0.0616","","","0.164","0.1845","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237161","11.578","0.0007","11.762","0.0007","16.545","0.0011","81.26","0.007","71.55","0.007","62.95","0.006","1903.4","0.2","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Tris[4-(dimethylamino)pyridinium] hexakis(thiocyanato-κ<i>N</i>)ferrate(III) monohydrate","","- C27 H35 Fe N12 O S6 -","- C27 H35 Fe N12 O S6 -","- C54 H70 Fe2 N24 O2 S12 -","2","1","HP2051","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Tris[4-(dimethylamino)pyridinium] hexakis(thiocyanato-κ<i>N</i>)ferrate(III) monohydrate","Acta Crystallographica Section E","2013","69","1","m33","","10.1107/S1600536812049574","","","0.71073","MoKα","","0.0827","0.0424","","","0.0914","0.1038","","","","","","0.951","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237162","9.2768","0.0007","11.4347","0.0003","12.9774","0.0003","90","","92.961","0.003","90","","1374.77","0.11","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis({1-[(1-iminoethyl)imino]ethyl}azanido- κ^2^<i>N</i>^1^,<i>N</i>^5^)nickel(II) methanol monosolvate","","- C9 H20 N6 Ni O -","- C9 H20 N6 Ni O -","- C36 H80 N24 Ni4 O4 -","4","1","HY2604","Xie, Yong-Qiang; Li, Jun-Jian; Guo, Ying; Zhang, You-Ming; Wei, Tai-Bao","Bis({1-[(1-iminoethyl)imino]ethyl}azanido-κ^2^<i>N</i>^1^,<i>N</i>^5^)nickel(II) methanol monosolvate","Acta Crystallographica Section E","2013","69","1","m3","","10.1107/S1600536812046958","","","0.71073","MoKα","","0.046","0.0286","","","0.0701","0.082","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237163","9.0209","0.0003","9.6544","0.0003","10.92","0.0003","87.093","0.002","86.974","0.001","85.793","0.002","946.1","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","[2,6-Bis(5-ethoxy-1,3-oxazol-2-yl)-4-methoxyphenyl- κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>']bromidopalladium(II)","","- C17 H17 Br N2 O5 Pd -","- C17 H17 Br N2 O5 Pd -","- C34 H34 Br2 N4 O10 Pd2 -","2","1","HY2606","Nan, Wen-Hui; Tan, Jian-Ping; Luo, Qun-Li","[2,6-Bis(5-ethoxy-1,3-oxazol-2-yl)-4-methoxyphenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>']bromidopalladium(II)","Acta Crystallographica Section E","2013","69","1","m31","m32","10.1107/S1600536812049197","","","0.71073","MoKα","","0.0431","0.0355","","","0.1063","0.1133","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237164","8.1468","0.0009","17.3814","0.0015","13.6369","0.0013","90","","95.724","0.009","90","","1921.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(dimethyl sulfoxide-κ<i>O</i>)cadmium","","- C16 H18 Br2 Cd N2 O S -","- C16 H18 Br2 Cd N2 O S -","- C64 H72 Br8 Cd4 N8 O4 S4 -","4","1","HY2608","Moghanlou, Khadijeh","Dibromido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(dimethyl sulfoxide-κ<i>O</i>)cadmium","Acta Crystallographica Section E","2013","69","1","m49","","10.1107/S1600536812050106","","","0.71073","MoKα","","0.1104","0.0571","","","0.1131","0.1274","","","","","","0.942","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237165","8.454","0.002","9.934","0.003","13.778","0.004","97.534","0.004","95.281","0.004","110.603","0.004","1061.8","0.5","110","","110","","","","","","","","","5","P -1","-P 1","2","","(2-Amino-7-methyl-4-oxidopteridine-6-carboxylato- κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)aqua(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cobalt(II) trihydrate","","- C20 H21 Co N7 O7 -","- C20 H21 Co N7 O7 -","- C40 H42 Co2 N14 O14 -","2","1","HY2609","Baisya, Siddhartha S.; Sen, Samir; Roy, Parag S.","(2-Amino-7-methyl-4-oxidopteridine-6-carboxylato-κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II) trihydrate","Acta Crystallographica Section E","2013","69","1","m70","m71","10.1107/S1600536812051185","","","0.71073","MoKα","","0.0626","0.0567","","0.129","0.1257","0.129","","","","","","1.0289","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237166","18.0951","0.0011","22.4608","0.0014","23.4293","0.0014","90","","104.782","0.003","90","","9207.2","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(η^6^-<i>p</i>-Cymene)(1,3-dimesityl-2,3-dihydro-1<i>H</i>-imidazol-2- ylidene)bis(pentafluorobenzoato-κ<i>O</i>)ruthenium(II) dichloromethane disolvate","","- C47 H42 Cl4 F10 N2 O4 Ru -","- C47 H42 Cl4 F10 N2 O4 Ru -","- C376 H336 Cl32 F80 N16 O32 Ru8 -","8","2","IM2412","Dorst, Konstantin; Frey, Wolfgang; Wang, Dongren; Buchmeiser, Michael","(η^6^-<i>p</i>-Cymene)(1,3-dimesityl-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene)bis(pentafluorobenzoato-κ<i>O</i>)ruthenium(II) dichloromethane disolvate","Acta Crystallographica Section E","2013","69","1","m28","","10.1107/S1600536812049513","","","0.71073","MoKα","","0.0822","0.0585","","","0.1514","0.1643","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237167","7.6989","0.001","12.737","0.004","13.74","0.004","90","","90","","90","","1347.4","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","morphine","(5α,6α)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","IM2413","Gelbrich, Thomas; Braun, Doris E.; Griesser, Ulrich J.","Stable polymorph of morphine","Acta Crystallographica Section E","2013","69","1","o2","","10.1107/S1600536812048945","","","1.5418","CuKα","","0.0992","0.0681","","","0.1246","0.1405","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237168","5.43804","0.00019","12.4222","0.0004","14.1684","0.0004","90","","100.269","0.003","90","","941.78","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-(3-Chlorophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C10 H6 Cl N3 S -","- C10 H6 Cl N3 S -","- C40 H24 Cl4 N12 S4 -","4","1","IM2414","Praveen, A.S.; Jasinski, Jerry P.; Krauss, Shannon T.; Yathirajan, H. S.; Narayana, B.","6-(3-Chlorophenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2013","69","1","o66","","10.1107/S1600536812049793","","","1.54184","CuKα","","0.0403","0.0362","","","0.0956","0.0998","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237169","7.2508","0.0007","12.1372","0.0012","12.3509","0.0012","90","","102.278","0.002","90","","1062.07","0.18","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquabis[4-(1<i>H</i>-imidazol-2-yl)pyridine-κ<i>N</i>]bis(nitrato- κ<i>O</i>)cadmium","","- C16 H18 Cd N8 O8 -","- C16 H18 Cd N8 O8 -","- C32 H36 Cd2 N16 O16 -","2","0.5","IM2415","Zhang, Chuan-Yue; Wang, Tao; Jin, Chuan-Ming","Diaquabis[4-(1<i>H</i>-imidazol-2-yl)pyridine-κ<i>N</i>]bis(nitrato-κ<i>O</i>)cadmium","Acta Crystallographica Section E","2013","69","1","m67","","10.1107/S1600536812050908","","","0.71073","MoKα","","0.0376","0.0347","","","0.0827","0.0843","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237170","10.882","0.005","12.063","0.005","17.41","0.007","90","","90","","90","","2285.4","1.7","93","1","93","1","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","<i>cis</i>-Bis(2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')carbonylchloridoruthenium(II) hexafluoridophosphate","","- C21 H16 Cl F6 N4 O P Ru -","- C21 H16 Cl F6 N4 O P Ru -","- C84 H64 Cl4 F24 N16 O4 P4 Ru4 -","4","1","IS5220","Takase, Tsugiko; Mun, Bisa; Oyama, Dai","<i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')carbonylchloridoruthenium(II) hexafluoridophosphate","Acta Crystallographica Section E","2013","69","1","m1","m2","10.1107/S1600536812048246","","","0.71075","MoKα","","","0.0319","","","","0.0618","","","","","","1.083","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237171","7.1282","0.0006","12.1466","0.001","26.363","0.002","90","","90","","90","","2282.6","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","1,1'-bis(tert-butyldimethylsilyl)ferrocene","1,1'-Bis(<i>tert</i>-butyldimethylsilyl)ferrocene","","- C22 H38 Fe Si2 -","- C22 H38 Fe Si2 -","- C88 H152 Fe4 Si8 -","4","0.5","IS5223","Abri, Abdolreza; Soltani, Behzad; Ziegler, Christopher J.; Engle, James T.; Kia, Reza","1,1'-Bis(<i>tert</i>-butyldimethylsilyl)ferrocene","Acta Crystallographica Section E","2013","69","1","m46","","10.1107/S1600536812049069","","","0.71073","MoKα","","0.0288","0.0262","","","0.0654","0.0672","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237172","11.9477","0.0009","17.6585","0.0012","17.0422","0.0013","90","","104.939","0.0008","90","","3474","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1,3,3-Tetra-<i>tert</i>-butyl-2,2-diisopropyl-4,4-diphenylcyclotetrasilane","","- C34 H60 Si4 -","- C34 H60 Si4 -","- C136 H240 Si16 -","4","0.5","IS5224","Kuribara, Takayoshi; Kyushin, Soichiro","1,1,3,3-Tetra-<i>tert</i>-butyl-2,2-diisopropyl-4,4-diphenylcyclotetrasilane","Acta Crystallographica Section E","2013","69","1","o149","","10.1107/S160053681205074X","","","0.71073","MoKα","","0.0488","0.0483","","","0.0952","0.0954","","","","","","1.236","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237173","6.675","0.0009","11.6952","0.0014","14.7283","0.0018","90","","90","","90","","1149.8","0.3","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","8-Hydroxy-5,7-dimethylquinolin-1-ium hydrogen sulfate","","- C11 H13 N O5 S -","- C11 H13 N O5 S -","- C44 H52 N4 O20 S4 -","4","1","IS5225","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","8-Hydroxy-5,7-dimethylquinolin-1-ium hydrogen sulfate","Acta Crystallographica Section E","2013","69","1","o42","o43","10.1107/S1600536812049483","","","0.71073","MoKα","","0.0427","0.0393","","","0.101","0.1028","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237174","6.799","0.0005","9.2215","0.0006","10.2123","0.0007","103.82","0.001","95.629","0.001","105.517","0.001","590.04","0.07","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","8-Hydroxy-5,7-dimethylquinolin-1-ium chloride dihydrate","","- C11 H16 Cl N O3 -","- C11 H16 Cl N O3 -","- C22 H32 Cl2 N2 O6 -","2","1","IS5226","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","8-Hydroxy-5,7-dimethylquinolin-1-ium chloride dihydrate","Acta Crystallographica Section E","2013","69","1","o44","","10.1107/S1600536812049495","","","0.71073","MoKα","","0.0302","0.0282","","","0.0903","0.0922","","","","","","1.079","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237175","9.519","0.0019","9.812","0.002","12.726","0.003","110.3","0.03","104.89","0.03","96.81","0.03","1048.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(Furfurylamino)triphenylphosphonium bromide","","- C23 H21 Br N O P -","- C23 H21 Br N O P -","- C46 H42 Br2 N2 O2 P2 -","2","1","IS5227","Martínez de León, Carla; Tlahuext, Hugo; Flores-Parra, Angelina; Duarte-Hernández, Angélica María; Grévy, Jean-Michel","(Furfurylamino)triphenylphosphonium bromide","Acta Crystallographica Section E","2013","69","1","o118","","10.1107/S1600536812050805","","","0.71073","MoKα","","0.046","0.0379","","","0.1192","0.1286","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237176","5.0843","0.0001","8.0771","0.0001","11.1928","0.0002","90","","91.214","0.001","90","","459.545","0.013","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2,3-Diaminopyridinium hydrogen malonate","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C16 H22 N6 O8 -","2","1","IS5228","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2,3-Diaminopyridinium hydrogen malonate","Acta Crystallographica Section E","2013","69","1","o92","o93","10.1107/S1600536812050386","","","0.71073","MoKα","","0.0389","0.0367","","","0.0914","0.0936","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237177","9.6315","0.0005","10.8713","0.0006","12.1481","0.0007","90","","104.093","0.001","90","","1233.71","0.12","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-methylpyridinium 4-methylbenzoate","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","IS5229","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium 4-methylbenzoate","Acta Crystallographica Section E","2013","69","1","o94","o95","10.1107/S1600536812050374","","","0.71073","MoKα","","0.0527","0.0433","","","0.1175","0.1248","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237178","8.2781","0.0002","21.4763","0.0005","15.537","0.0004","90","","98.448","0.002","90","","2732.24","0.12","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[2,7-Dimethoxy-8-(4-methoxybenzoyl)naphthalen-1-yl](4-methoxyphenyl)methanone chloroform monosolvate","","- C29 H25 Cl3 O6 -","- C29 H25 Cl3 O6 -","- C116 H100 Cl12 O24 -","4","1","IS5230","Sasagawa, Kosuke; Sakamoto, Rei; Kusakabe, Taro; Okamoto, Akiko; Yonezawa, Noriyuki","[2,7-Dimethoxy-8-(4-methoxybenzoyl)naphthalen-1-yl](4-methoxyphenyl)methanone chloroform monosolvate","Acta Crystallographica Section E","2013","69","1","o146","","10.1107/S1600536812050799","","","1.54187","CuKα","","0.0389","0.0348","","","0.1038","0.1069","","","","","","1.104","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237179","9.851","0.0006","10.7707","0.0008","12.2123","0.0007","90","","102.335","0.002","90","","1265.84","0.14","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-methylpyridinium 4-chlorobenzoate","","- C13 H13 Cl N2 O2 -","- C13 H13 Cl N2 O2 -","- C52 H52 Cl4 N8 O8 -","4","1","IS5231","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium 4-chlorobenzoate","Acta Crystallographica Section E","2013","69","1","o134","o135","10.1107/S1600536812051021","","","0.71073","MoKα","","0.0798","0.0468","","","0.1207","0.1391","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237180","9.004","0.007","5.767","0.005","12.617","0.01","90","","90.415","0.016","90","","655.1","0.9","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","2-Amino-5-methylpyridinium 5-chlorosalicylate","2-Amino-5-methylpyridinium 2-hydroxy-5-chlorobenzoate","","- C13 H13 Cl N2 O3 -","- C13 H13 Cl N2 O3 -","- C26 H26 Cl2 N4 O6 -","2","1","IS5232","Thanigaimani, Kaliyaperumal; Farhadikoutenaei, Abbas; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium 2-hydroxy-5-chlorobenzoate","Acta Crystallographica Section E","2013","69","1","o132","o133","10.1107/S160053681205101X","","","0.71073","MoKα","","0.1005","0.0733","","","0.1743","0.2012","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237181","16.0451","0.0003","4.7575","0.0001","19.7143","0.0004","90","","107.66","0.001","90","","1433.96","0.05","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Anilinium-3-carboxylate 3-carboxyanilinium nitrate","","- C14 H15 N3 O7 -","- C14 H15 N3 O7 -","- C56 H60 N12 O28 -","4","0.5","KJ2215","Ahmad, Saeed; Hussain, Sajjad; Sharif, Shahzad; Khan, Islam Ullah; Tahir, Muhammad Nawaz","Anilinium-3-carboxylate 3-carboxyanilinium nitrate","Acta Crystallographica Section E","2013","69","1","o29","","10.1107/S1600536812049392","","","0.71073","MoKα","","0.0406","0.037","","","0.0981","0.1009","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237182","11.1751","0.0003","7.4623","0.0002","37.283","0.0008","90","","91.57","0.002","90","","3107.93","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,4'-propane-2,2-diyldiantipyrine antipyrine","1,5-Dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one‒ 4,4'-(propane-2,2-diyl)bis[1,5-dimethyl-2-phenyl-1<i>H</i>- pyrazol-3(2<i>H</i>)-one] (1/1)","","- C36 H40 N6 O3 -","- C36 H40 N6 O3 -","- C144 H160 N24 O12 -","4","1","KJ2216","Lyczko, Krzysztof","1,5-Dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one‒4,4'-(propane-2,2-diyl)bis[1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one] (1/1)","Acta Crystallographica Section E","2013","69","1","o127","o128","10.1107/S160053681205091X","","","1.54178","CuKα","","0.0449","0.0395","","","0.0946","0.0985","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237183","4.6273","0.0001","15.8565","0.0003","6.1719","0.0002","90","","95.598","0.002","90","","450.69","0.02","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[(μ~4~-3-carboxypyrazine-2-carboxylato)(μ~4~-nitrato)dilithium]","","- C6 H3 Li2 N3 O7 -","- C6 H3 Li2 N3 O7 -","- C12 H6 Li4 N6 O14 -","2","1","KP2442","Starosta, Wojciech; Leciejewicz, Janusz","Poly[(μ~4~-3-carboxypyrazine-2-carboxylato)(μ~4~-nitrato)dilithium]","Acta Crystallographica Section E","2013","69","1","m62","","10.1107/S1600536812050738","","","0.71073","MoKα","","0.0398","0.0359","","","0.0804","0.0835","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237184","16.8785","0.0005","5.4202","0.0002","19.6107","0.0006","90","","91.469","0.002","90","","1793.49","0.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-[(3-Oxo-1-benzofuran-6-yl)oxy]acetonitrile","","- C11 H8 O3 -","- C11 H8 O3 -","- C88 H64 O24 -","8","1","LD2084","Kinfe, Henok H.; Belay, Yonas H.; Phasha, Zanele H.","2-[(3-Oxo-1-benzofuran-6-yl)oxy]acetonitrile","Acta Crystallographica Section E","2013","69","1","o74","","10.1107/S1600536812048441","","","1.54178","CuKα","","0.032","0.0301","","","","0.0758","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237185","22.7845","0.0008","14.337","0.0005","9.8442","0.0003","90","","90.783","0.001","90","","3215.42","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Cyano-<i>N</i>-ethylspiro[chromene-2,4'-piperidine]-1'-carboxamide","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C136 H152 N24 O16 -","8","2","LD2085","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.","4-Cyano-<i>N</i>-ethylspiro[chromene-2,4'-piperidine]-1'-carboxamide","Acta Crystallographica Section E","2013","69","1","o138","","10.1107/S1600536812051124","","","0.71073","MoKα","","0.0775","0.0495","","","0.1459","0.1769","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237186","10.2716","0.0004","20.0353","0.0007","14.379","0.0006","90","","97.047","0.001","90","","2936.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-5''-(4-Fluorobenzylidene)-1'-(4-fluorophenyl)-1''-methyl- 1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine- 2',3''-piperidine]-2,4''(1<i>H</i>)-dione","","- C37 H32 F2 N2 O2 -","- C37 H32 F2 N2 O2 -","- C148 H128 F8 N8 O8 -","4","1","LD2088","Suresh, J.; Nagalakshmi, R. A.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","<i>rac</i>-5''-(4-Fluorobenzylidene)-1'-(4-fluorophenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","1","o140","o141","10.1107/S1600536812051094","","","0.71073","MoKα","","0.0827","0.046","","","0.1058","0.1261","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237187","17.4656","0.0004","10.1883","0.0002","12.3465","0.0003","90","","106.806","0.002","90","","2103.16","0.08","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2,7,7-trimethyl-4-(1-methyl-1<i>H</i>-indol-3-yl)-5-oxo-1,4,5,6,7,8- hexahydroquinoline-3-carboxylate","","- C24 H28 N2 O3 -","- C24 H28 N2 O3 -","- C96 H112 N8 O12 -","4","1","LH5560","Öztürk Yildirim, Sema; Butcher, Ray J.; Gündüz, Miyase Gözde; El-Khouly, Ahmed; Şimşek, Rahime; Şafak, Cihat","Ethyl 2,7,7-trimethyl-4-(1-methyl-1<i>H</i>-indol-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2013","69","1","o40","o41","10.1107/S1600536812047976","","","1.54184","CuKα","","0.0536","0.0443","","","0.1172","0.1254","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237188","8.5736","0.0007","9.5668","0.0008","9.675","0.0007","73.348","0.005","87.388","0.005","83.619","0.006","755.49","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","RS137:C13H9PO2HPh","(9<i>H</i>-Fluoren-9-yl)(phenyl)phosphinic acid","","- C19 H15 O2 P -","- C19 H15 O2 P -","- C38 H30 O4 P2 -","2","1","LH5563","Burrow, Robert A.; Siqueira da Silva, Rubia M.","(9<i>H</i>-Fluoren-9-yl)(phenyl)phosphinic acid","Acta Crystallographica Section E","2013","69","1","o1","","10.1107/S160053681204891X","","","0.71073","MoKα","","0.0621","0.0438","","","0.1019","0.1115","","","","","","1.028","","","","has coordinates,has Fobs","204117","2020-10-21","18:00:00",""
"2237189","13.0315","0.0003","13.3638","0.0002","19.3489","0.0005","96.358","0.002","99.229","0.001","116.191","0.001","2921.16","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Chlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2,6- diisopropylaniline-κ<i>P</i>}gold(I) chloroform 0.25-solvate","","- C31.25 H32.25 Au Cl1.75 N P -","- C31.25 H32.25 Au Cl1.75 N P -","- C125 H129 Au4 Cl7 N4 P4 -","4","2","LH5564","Chiririwa, Haleden; Davis, Wade L.","Chlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]-2,6-diisopropylaniline-κ<i>P</i>}gold(I) chloroform 0.25-solvate","Acta Crystallographica Section E","2013","69","1","m39","","10.1107/S1600536812049975","","","0.71073","MoKα","","0.0447","0.0304","","","0.059","0.065","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237190","5.75357","0.00019","16.0368","0.0005","8.3114","0.0003","90","","95.34","0.003","90","","763.56","0.04","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Diphenylmethyl benzoate","","- C20 H16 O2 -","- C20 H16 O2 -","- C40 H32 O4 -","2","1","LH5566","Kaur, Manpreet; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Siddegowda, M. S.","Diphenylmethyl benzoate","Acta Crystallographica Section E","2013","69","1","o81","","10.1107/S1600536812050064","","","1.54184","CuKα","","0.0374","0.0351","","","0.092","0.0944","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237191","10.4828","0.0003","14.8973","0.0004","14.2059","0.0003","90","","101.609","0.002","90","","2173.09","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(4-Hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione","","- C24 H29 N O4 -","- C24 H29 N O4 -","- C96 H116 N4 O16 -","4","1","LH5567","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Patil, P. P.; Deshmukh, Madhukar B.","9-(4-Hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2013","69","1","o100","","10.1107/S1600536812050568","","","0.71073","MoKα","","0.0869","0.0544","","","0.1028","0.1157","","","","","","1.019","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237192","11.0505","0.0003","12.8264","0.0003","13.8548","0.0003","90","","100.215","0.002","90","","1932.63","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9-(3-Fluorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione","","- C23 H26 F N O2 -","- C23 H26 F N O2 -","- C92 H104 F4 N4 O8 -","4","1","LH5569","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Jagadale, S. D.; Deshmukh, Madhukar B.","9-(3-Fluorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2013","69","1","o101","","10.1107/S1600536812050556","","","0.71073","MoKα","","0.0606","0.0443","","","0.1075","0.1175","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237193","24.2434","0.0006","9.603","0.0002","15.2426","0.0004","90","","93.96","0.002","90","","3540.15","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8- hexahydroquinoline-3-carbonitrile","","- C19 H18 F3 N3 O -","- C19 H18 F3 N3 O -","- C152 H144 F24 N24 O8 -","8","1","LH5570","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Mulik, A. G.; Deshmukh, Madhukar B.","2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile","Acta Crystallographica Section E","2013","69","1","o105","","10.1107/S1600536812050684","","","0.71073","MoKα","","0.0852","0.0573","","","0.1291","0.1431","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237194","7.906","0.003","7.385","0.002","14.036","0.005","90","","102.025","0.005","90","","801.5","0.5","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(Prop-2-yn-1-yloxy)benzaldehyde","","- C10 H8 O2 -","- C10 H8 O2 -","- C40 H32 O8 -","4","1","LH5571","Doi, Ikue; Okuno, Tsunehisa","4-(Prop-2-yn-1-yloxy)benzaldehyde","Acta Crystallographica Section E","2013","69","1","o125","","10.1107/S1600536812050866","","","0.71075","MoKα","","","0.0368","","","","0.1009","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237195","8.2332","0.001","10.573","0.0013","12.6673","0.0015","104.774","0.001","108.061","0.002","91.152","0.001","1007.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis[μ-2-(methoxycarbonyl)benzoato- κ^2^<i>O</i>^1^:<i>O</i>^1'^]bis[(acetonitrile- κ<i>N</i>)copper(II)](<i>Cu</i>—<i>Cu</i>)","","- C40 H34 Cu2 N2 O16 -","- C40 H34 Cu2 N2 O16 -","- C40 H34 Cu2 N2 O16 -","1","0.5","LR2089","Wang, Jing-lin; Wang, Cai-rong; Wang, Zhi-jun; Yang, Bin-sheng","Tetrakis[μ-2-(methoxycarbonyl)benzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^]bis[(acetonitrile-κ<i>N</i>)copper(II)](<i>Cu</i>—<i>Cu</i>)","Acta Crystallographica Section E","2013","69","1","m19","","10.1107/S1600536812049410","","","0.71073","MoKα","","0.0486","0.0366","","","0.0949","0.1051","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237196","10.3524","0.0018","10.3524","0.0018","26.14","0.006","90","","90","","120","","2426.2","0.8","150","2","150","2","","","","","","","","6","P 32","P 32","145","","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) bis(hexafluoridophosphate)","","- C30 H24 Co F12 N6 P2 -","- C30 H24 Co F12 N6 P2 -","- C90 H72 Co3 F36 N18 P6 -","3","1","LR2090","Menteş, Ayfer; Singh, Kuldip","Tris(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E","2013","69","1","m58","","10.1107/S1600536812050234","","","0.71073","MoKα","","0.0597","0.049","","","0.0841","0.0883","","","","","","0.935","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237197","9.99077","0.00019","9.99077","0.00019","14.5063","0.0004","90","","90","","90","","1447.95","0.06","123","2","123","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","2,2,7,7-Tetramethyl-1,2,3,4,5,6,7,8-octahydroacridine-1,8-dione","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","0.5","MW2098","Öztürk Yildirim, Sema; Butcher, Ray J.; Şimsek, Rahime; El-Khouly, Ahmed; Şafak, Cihat","2,2,7,7-Tetramethyl-1,2,3,4,5,6,7,8-octahydroacridine-1,8-dione","Acta Crystallographica Section E","2013","69","1","o88","o89","10.1107/S1600536812048957","","","1.54184","CuKα","","0.0472","0.0431","","","0.116","0.1219","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237198","6.276","0.003","10.202","0.005","11.411","0.005","94.541","0.007","93.305","0.006","96.918","0.007","721.4","0.6","123.15","","123","2","","","","","","","","6","P -1","-P 1","2","1-(2-Chlorobenzoyl)-3-(3-methoxyphenyl)thiourea","1-(2-Chlorobenzoyl)-3-(3-methoxyphenyl)thiourea","","- C15 H13 Cl N2 O2 S -","- C15 H13 Cl N2 O2 S -","- C30 H26 Cl2 N4 O4 S2 -","2","1","MW2100","Rauf, M. Khawar; Ebihara, Masahiro; Badshah, Amin","1-(2-Chlorobenzoyl)-3-(3-methoxyphenyl)thiourea","Acta Crystallographica Section E","2013","69","1","o19","","10.1107/S1600536812048830","","","0.7107","MoKα","","0.0377","0.0354","","","0.0864","0.0877","","","","","","1.086","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237199","13.7136","0.0004","5.5026","0.0004","16.5563","0.0005","90","","92.665","0.003","90","","1247.99","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,12-Bis(hexyloxy)-5<i>H</i>,11<i>H</i>-indolo[3,2-<i>b</i>]carbazole","","- C30 H36 N2 O2 -","- C30 H36 N2 O2 -","- C60 H72 N4 O4 -","2","0.5","NC2301","Wrobel, Norma; Witulski, Bernhard; Schollmeyer, Dieter; Detert, Heiner","6,12-Bis(hexyloxy)-5<i>H</i>,11<i>H</i>-indolo[3,2-<i>b</i>]carbazole","Acta Crystallographica Section E","2013","69","1","o116","o117","10.1107/S1600536812050611","","","1.54178","CuKα","","0.0652","0.0569","","","0.1719","0.1806","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237200","4.4969","0.0002","7.9507","0.0006","11.0679","0.0008","73.854","0.006","84.788","0.005","80.903","0.005","374.87","0.04","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","4-[4-(4-Formylphenoxy)butoxy]benzaldehyde","","- C18 H18 O4 -","- C18 H18 O4 -","- C18 H18 O4 -","1","0.5","NG5308","Balić, Tomislav; Marković, Berislav; Balić, Ivana","Triclinic polymorph of 4-[4-(4-formylphenoxy)butoxy]benzaldehyde","Acta Crystallographica Section E","2013","69","1","o126","","10.1107/S1600536812050994","","","0.7107","MoKα","","0.0491","0.0429","","","0.1186","0.1232","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237201","6.979","0.0003","9.9975","0.0008","13.8202","0.0011","77.899","0.001","78.956","0.002","78.507","0.002","912.58","0.11","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-2-Hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-styrylbenzoic acid","","- C21 H22 O4 -","- C21 H22 O4 -","- C42 H44 O8 -","2","1","NG5309","Ji, Xingyue; Jin, Jie; Zheng, Guanghui; Li, Zhuorong","(<i>E</i>)-2-Hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-styrylbenzoic acid","Acta Crystallographica Section E","2013","69","1","o91","","10.1107/S1600536812050258","","","0.71073","MoKα","","0.1022","0.052","","","0.12","0.1515","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237202","6.4065","0.0002","13.1474","0.0004","13.3466","0.0004","70.718","0.003","81.7","0.003","80.134","0.003","1040.75","0.06","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2-(Adamantan-1-yl)-1,3-bis(4-methylphenyl)propan-2-ol","","- C27 H34 O -","- C27 H34 O -","- C54 H68 O2 -","2","1","NK2194","Babjaková, Eva; Bartoš, Peter; Vícha, Robert","2-(Adamantan-1-yl)-1,3-bis(4-methylphenyl)propan-2-ol","Acta Crystallographica Section E","2013","69","1","o108","","10.1107/S1600536812050647","","","0.71073","MoKα","","0.0451","0.0348","","","0.0909","0.0943","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237203","19.174","0.0012","5.5026","0.0003","8.9956","0.0005","90","","90","","90","","949.1","0.09","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","NK2196","Scalzullo, Stefania M.; Khorasani, Sanaz; Michael, Joseph P.","1-(2-Hydroxy-4,5-dimethoxyphenyl)ethanone","Acta Crystallographica Section E","2013","69","1","o139","","10.1107/S1600536812051057","","","0.71073","MoKα","","0.0383","0.0318","","","0.082","0.085","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237204","14.6042","0.0008","12.1781","0.0007","5.607","0.0003","90","","90","","90","","997.21","0.1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(4-Nitrophenyl)-1<i>H</i>-imidazol-3-ium chloride","","- C9 H8 Cl N3 O2 -","- C9 H8 Cl N3 O2 -","- C36 H32 Cl4 N12 O8 -","4","1","NR2034","Ibrahim, Halliru; Bala, Muhammad D.","1-(4-Nitrophenyl)-1<i>H</i>-imidazol-3-ium chloride","Acta Crystallographica Section E","2013","69","1","o114","","10.1107/S1600536812050878","","","0.71073","MoKα","","0.0311","0.029","","","0.0735","0.0758","","","","","","1.089","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237205","13.019","0.002","13.687","0.003","13.875","0.003","108.371","0.004","94.768","0.004","102.691","0.004","2257.9","0.8","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","Hexakis{μ~3~-2-[(1,3- dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate","","- C72 H94 Cl4 Cu6 F12 N20 P2 S6 -","- C72 H94 Cl4 Cu6 F12 N20 P2 S6 -","- C72 H94 Cl4 Cu6 F12 N20 P2 S6 -","1","0.5","NR2037","Neuba, Adam; Flörke, Ulrich; Henkel, Gerald","The mixed-valent copper thiolate complex hexakis{μ~3~-2-[(1,3-dimethylimidazolidene)amino]benzenethiolato}dicopper(II)tetracopper(I) bis(hexafluoridophosphate) acetonitrile disolvate dichloromethane disolvate","Acta Crystallographica Section E","2013","69","1","m54","m55","10.1107/S1600536812050428","","","0.71073","MoKα","","0.0648","0.0481","","","0.1275","0.1384","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237206","10.0222","0.0002","17.148","0.0003","21.2925","0.0004","90","","92.042","0.001","90","","3657.02","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Benzyltriphenylphosphonium dichloridotriphenylstannate(IV)","","- C43 H37 Cl2 P Sn -","- C43 H37 Cl2 P Sn -","- C172 H148 Cl8 P4 Sn4 -","4","1","PK2448","Traore, Bocar; Boye, Mouhamadou Sembene; Sidibe, Mamadou; Diop, Libasse; Guionneau, Philippe","Benzyltriphenylphosphonium dichloridotriphenylstannate(IV)","Acta Crystallographica Section E","2013","69","1","m42","","10.1107/S1600536812049689","","","0.71073","MoKα","","0.0779","0.0394","","","0.0863","0.1017","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237207","9.53","0.0019","9.924","0.002","12.449","0.003","69.05","0.03","80.59","0.03","88.75","0.03","1083.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-{(<i>Z</i>)-1-(2,4-Dichlorophenyl)-1-[2-(4-methylphenoxy)ethoxy]prop- 1-en-2-yl}-1<i>H</i>-imidazol-3-ium nitrate","","- C21 H21 Cl2 N3 O5 -","- C21 H21 Cl2 N3 O5 -","- C42 H42 Cl4 N6 O10 -","2","1","PV2548","Guo, Song; Hu, Yong-hong; Luan, Yuan-yuan; Wang, Lu-lu; Yang, Wen-ge","1-{(<i>Z</i>)-1-(2,4-Dichlorophenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl}-1<i>H</i>-imidazol-3-ium nitrate","Acta Crystallographica Section E","2013","69","1","o27","","10.1107/S1600536812046181","","","0.71073","MoKα","","0.0688","0.0477","","","0.1403","0.1583","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237208","21.983","0.002","7.8173","0.0006","11.7489","0.001","90","","116.158","0.002","90","","1812.2","0.3","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","[2-(3,4-Dimethylbenzoyl)phenyl](4-methoxyphenyl)methanone","","- C23 H20 O3 -","- C23 H20 O3 -","- C92 H80 O12 -","4","1","PV2606","Jagadeesan, G.; Sethusankar, K.; Sivasakthikumaran, R.; Mohanakrishnan, Arasambattu K.","[2-(3,4-Dimethylbenzoyl)phenyl](4-methoxyphenyl)methanone","Acta Crystallographica Section E","2013","69","1","o26","","10.1107/S1600536812047654","","","0.71073","MoKα","","0.0976","0.0505","","","0.1364","0.1729","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237209","9.1046","0.0012","13.205","0.0018","13.3427","0.0018","98.854","0.003","105.147","0.003","105.494","0.003","1448.3","0.3","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","Triethylammonium 4-(3,5-dinitrobenzamido)-<i>N</i>-(3,5-dinitrobenzoyl)benzenesulfonamidate","","- C26 H27 N7 O12 S -","- C26 H27 N7 O12 S -","- C52 H54 N14 O24 S2 -","2","1","PV2607","Waris, Ghulam; Siddiqi, Humaira Masood; Flörke, Ulrich; Hussain, Rizwan; Butt, M. Saeed","Triethylammonium 4-(3,5-dinitrobenzamido)-<i>N</i>-(3,5-dinitrobenzoyl)benzenesulfonamidate","Acta Crystallographica Section E","2013","69","1","o97","","10.1107/S1600536812050180","","","0.71073","MoKα","","0.0669","0.0411","","","0.0767","0.0837","","","","","","0.885","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237210","10.4784","0.0005","10.2624","0.0004","21.0937","0.001","90","","95.35","0.003","90","","2258.4","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 8,13-dioxa-21-azapentacyclo[18.5.1.0^2,7^.0^14,19^.0^21,25^]hexacosa- 2(7),3,5,14,16,18-hexaene-26-carboxylate","","- C26 H31 N O4 -","- C26 H31 N O4 -","- C104 H124 N4 O16 -","4","1","PV2608","Narayanan, Sibi; Srinivasan, Thothadri; Purushothaman, Santhanagopalan; Raghunathan, Raghavachary; Velmurugan, Devadasan","Ethyl 8,13-dioxa-21-azapentacyclo[18.5.1.0^2,7^.0^14,19^.0^21,25^]hexacosa-2(7),3,5,14,16,18-hexaene-26-carboxylate","Acta Crystallographica Section E","2013","69","1","o25","","10.1107/S1600536812049094","","","0.71073","MoKα","","0.1087","0.0571","","","0.1487","0.1802","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237211","7.6496","0.0011","13.0693","0.0019","11.1617","0.0017","90","","106.475","0.003","90","","1070.1","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-{[(Dimethylamino)methylidene]amino}-5-nitrobenzonitrile","","- C10 H10 N4 O2 -","- C10 H10 N4 O2 -","- C40 H40 N16 O8 -","4","1","PV2610","Saad, Syed Muhammad; Haider, Syed Moazzam; Perveen, Shahnaz; Khan, Khalid M.; Yousuf, Sammer","2-{[(Dimethylamino)methylidene]amino}-5-nitrobenzonitrile","Acta Crystallographica Section E","2013","69","1","o75","","10.1107/S1600536812048866","","","0.71073","MoKα","","0.0665","0.0462","","","0.1219","0.1344","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237212","7.167","0.003","8","0.004","11.252","0.005","81.625","0.014","74.58","0.012","83.979","0.015","613.8","0.5","123.15","","123","2","","","","","","","","6","P -1","-P 1","2","","1-(2-Chlorobenzoyl)-3-(pyrimidin-2-yl)thiourea","","- C12 H9 Cl N4 O S -","- C12 H9 Cl N4 O S -","- C24 H18 Cl2 N8 O2 S2 -","2","1","PV2612","Rauf, M. Khawar; Yaseen, Samad; Ebihara, Masahiro; Badshah, Amin","1-(2-Chlorobenzoyl)-3-(pyrimidin-2-yl)thiourea","Acta Crystallographica Section E","2013","69","1","o84","","10.1107/S1600536812050118","","","0.7107","MoKα","","0.0374","0.0342","","","0.0805","0.0821","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237213","10.90063","0.00008","20.37357","0.00017","11.88385","0.00009","90","","104.355","0.0008","90","","2556.82","0.04","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","Narciclasine hemihydrate","(2<i>S</i>,3<i>R</i>,4<i>S</i>,4a<i>R</i>)-2,3,4,7-Tetrahydroxy-3,4,4a,5- tetrahydro[1,3]dioxolo[4,5-<i>j</i>]phenanthridin-6(2<i>H</i>)-one hemihydrate","","- C14 H14 N O7.5 -","- C14 H13.75 N O7.5 -","- C112 H110 N8 O60 -","8","4","RK2387","Jucov, Evgheni; Kornienko, Alexander; Masi, Marco; Evidente, Antonio; Antipin, Mikhail","(2<i>S</i>,3<i>R</i>,4<i>S</i>,4a<i>R</i>)-2,3,4,7-Tetrahydroxy-3,4,4a,5-tetrahydro[1,3]dioxolo[4,5-<i>j</i>]phenanthridin-6(2<i>H</i>)-one hemihydrate","Acta Crystallographica Section E","2013","69","1","o9","o10","10.1107/S1600536812048763","","","1.5418","CuKα","","0.0475","0.0474","","","0.1212","0.1215","","","","","","1.045","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237214","7.6232","0.001","9.4004","0.0009","11.8031","0.0012","80.121","0.008","71.555","0.01","74.732","0.01","770.44","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-[1-(2-Hydroxy-6-methoxyphenyl)ethylidene]-<i>N</i>- methylhydrazinecarbothioamide acetonitrile monosolvate","","- C13 H18 N4 O2 S -","- C13 H18 N4 O2 S -","- C26 H36 N8 O4 S2 -","2","1","RK2388","Anderson, Brian J.; Keeler, Alexander M.; O'Rourke, Kelly A.; Krauss, Shannon T.; Jasinski, Jerry P.","2-[1-(2-Hydroxy-6-methoxyphenyl)ethylidene]-<i>N</i>-methylhydrazinecarbothioamide acetonitrile monosolvate","Acta Crystallographica Section E","2013","69","1","o11","","10.1107/S1600536812048799","","","1.54184","CuKα","","0.0674","0.0627","","","0.1618","0.1702","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237215","14.1344","0.001","6.542","0.0005","11.3748","0.0008","90","","90","","90","","1051.8","0.13","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","(<i>Z</i>)-1-Chloro-1-[2-(2-nitrophenyl)hydrazinylidene]propan-2-one","","- C9 H8 Cl N3 O3 -","- C9 H8 Cl N3 O3 -","- C36 H32 Cl4 N12 O12 -","4","0.5","RN2108","Morjan, Rami Y.; Abu Thaher, Bassam A.; Schollmeyer, Dieter; Awadallah, Adel M.; Gardiner, John M.","(<i>Z</i>)-1-Chloro-1-[2-(2-nitrophenyl)hydrazinylidene]propan-2-one","Acta Crystallographica Section E","2013","69","1","o72","","10.1107/S1600536812049938","","","0.71073","MoKα","","0.0659","0.0442","","","0.1064","0.1207","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237216","5.1486","0.0002","15.1631","0.0006","16.4206","0.0007","90","","90.562","0.003","90","","1281.87","0.09","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cytosinium orotate dihydrate","4-Amino-2-oxo-1,2-dihydropyrimidin-3-ium 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate dihydrate","","- C9 H13 N5 O7 -","- C9 H13 N5 O7 -","- C36 H52 N20 O28 -","4","1","RZ5024","Portalone, Gustavo","Cytosinium orotate dihydrate","Acta Crystallographica Section E","2013","69","1","o14","o15","10.1107/S1600536812049057","","","0.71069","MoKα","","0.0593","0.0459","","","0.1189","0.1252","","","","","","1.127","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237217","8.2197","0.0005","15.863","0.001","11.0108","0.0006","90","","93.45","0.006","90","","1433.09","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2,3-Dichlorophenyl)-2-nitrobenzenesulfonamide","","- C12 H8 Cl2 N2 O4 S -","- C12 H8 Cl2 N2 O4 S -","- C48 H32 Cl8 N8 O16 S4 -","4","1","RZ5027","Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme","<i>N</i>-(2,3-Dichlorophenyl)-2-nitrobenzenesulfonamide","Acta Crystallographica Section E","2013","69","1","o76","","10.1107/S1600536812048076","","","0.71073","MoKα","","0.0516","0.0366","","","0.0852","0.092","","","","","","1.012","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237218","19","0.003","7.3502","0.0016","11.0825","0.0016","90","","92.06","0.008","90","","1546.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-({4-[(4-Nitrophenyl)diazenyl]phenyl}imino)diethanol","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C64 H72 N16 O16 -","4","1","RZ5028","Duangthongyou, Tanwawan; Suwanruji, Potjanart; Suesat, Jantip; Achiwawanich, Supakit","2,2'-({4-[(4-Nitrophenyl)diazenyl]phenyl}imino)diethanol","Acta Crystallographica Section E","2013","69","1","o22","","10.1107/S1600536812049239","","","0.71073","MoKα","","0.0845","0.0436","","","0.1159","0.1523","","","","","","0.926","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237219","7.244","0.0007","10.2832","0.001","11.1622","0.0011","72.475","0.002","83.663","0.002","70.429","0.002","747.05","0.13","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(2,5-Dimethoxyphenyl)-6-nitroquinazolin-4-amine","","- C16 H14 N4 O4 -","- C16 H14 N4 O4 -","- C32 H28 N8 O8 -","2","1","RZ5029","Saad, Syed Muhammad; Khan, Imran; Perveen, Shahnaz; Khan, Khalid M.; Yousuf, Sammer","<i>N</i>-(2,5-Dimethoxyphenyl)-6-nitroquinazolin-4-amine","Acta Crystallographica Section E","2013","69","1","o8","","10.1107/S1600536812048878","","","0.71073","MoKα","","0.0513","0.0415","","","0.1104","0.1197","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237220","11.519","0.007","11.021","0.006","32.386","0.018","90","","91.112","0.01","90","","4111","4","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","4,6-Dimethylpyrimidin-2-amine","","- C6 H9 N3 -","- C6 H9 N3 -","- C144 H216 N72 -","24","3","RZ5030","Fu, Wei-Wei; Liu, Yang; Huang, Geng; Zhu, Xiao-Ming","4,6-Dimethylpyrimidin-2-amine","Acta Crystallographica Section E","2013","69","1","o32","","10.1107/S1600536812049458","","","0.71073","MoKα","","0.1047","0.0619","","","0.153","0.1754","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237221","15.763","0.003","29.579","0.006","11.368","0.002","90","","90.83","0.03","90","","5299.8","1.7","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato- κ^2^<i>O</i>,<i>O</i>')erbium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","","- C24 H72 Ag Er N14 O10 P4 S4 W -","- C24 H72 Ag Er N14 O10 P4 S4 W -","- C96 H288 Ag4 Er4 N56 O40 P16 S16 W4 -","4","1","RZ5031","Wei, Hongyang; Zhang, Jinfang; Zhang, Chi","<i>catena</i>-Poly[[tetrakis(hexamethylphosphoramide-κ<i>O</i>)bis(nitrato-κ^2^<i>O</i>,<i>O</i>')erbium(III)] [silver(I)-di-μ-sulfido-tungstate(VI)-di-μ-sulfido]]","Acta Crystallographica Section E","2013","69","1","m43","m44","10.1107/S1600536812049987","","","0.71073","MoKα","","0.0527","0.0465","","","0.0879","0.0922","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237222","7.5657","0.0006","10.8711","0.0007","11.5419","0.0007","90","","90","","90","","949.29","0.11","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Methoxybenzamidinium bromide","","- C8 H11 Br N2 O -","- C8 H11 Br N2 O -","- C32 H44 Br4 N8 O4 -","4","1","RZ5032","Irrera, Simona; Portalone, Gustavo","4-Methoxybenzamidinium bromide","Acta Crystallographica Section E","2013","69","1","o56","","10.1107/S1600536812049872","","","0.71069","MoKα","","0.0356","0.0273","","","0.0527","0.0547","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237223","8.1989","0.0005","10.4442","0.0006","20.8877","0.0013","90","","90","","90","","1788.63","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>,<i>R</i>)-1-Acetyl-1'-(2,4,6-trinitrophenyl)-2,2'-bipyrrolidine","","- C16 H19 N5 O7 -","- C16 H19 N5 O7 -","- C64 H76 N20 O28 -","4","1","RZ5033","Eichstaedt, Katarzyna; Olszewska, Teresa; Gdaniec, Maria","(<i>R</i>,<i>R</i>)-1-Acetyl-1'-(2,4,6-trinitrophenyl)-2,2'-bipyrrolidine","Acta Crystallographica Section E","2013","69","1","o144","o145","10.1107/S1600536812051161","","","0.71073","MoKα","","0.0585","0.0432","","","0.0838","0.0896","","","","","","1.062","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237224","7.0835","0.0005","10.4059","0.0007","12.8461","0.0008","73.91","0.003","89.756","0.004","73.436","0.004","869.16","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2-Hydroxy-4-(prop-2-ynyloxy)benzaldehyde","","- C10 H8 O3 -","- C10 H8 O3 -","- C40 H32 O12 -","4","2","SJ5285","Selvarani, V.; Neelakantan, M.A.; Silambarasan, V.; Velmurugan, D.","2-Hydroxy-4-(prop-2-ynyloxy)benzaldehyde","Acta Crystallographica Section E","2013","69","1","o64","","10.1107/S1600536812049598","","","0.71073","MoKα","","0.0716","0.044","","","0.1144","0.1324","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237225","7.9711","0.0001","17.4106","0.0003","13.5265","0.0002","90","","99.237","0.002","90","","1852.89","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Diethyl-2-sulfanylidene-5-(2,4,5-trimethoxybenzylidene)-1,3-diazinane-4,6-dione","","- C18 H22 N2 O5 S -","- C18 H22 N2 O5 S -","- C72 H88 N8 O20 S4 -","4","1","SJ5286","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Zia-ur-Rehman, Muhammad; Sobahi, Tariq R.","1,3-Diethyl-2-sulfanylidene-5-(2,4,5-trimethoxybenzylidene)-1,3-diazinane-4,6-dione","Acta Crystallographica Section E","2013","69","1","o49","","10.1107/S1600536812049707","","","1.54184","CuKα","","0.0505","0.0413","","","0.1121","0.1205","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237226","15.825","0.003","7.619","0.0013","15.082","0.004","90","","118.179","0.002","90","","1602.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[μ-<i>N</i>^1^,<i>N</i>^2^-Bis(pyridin-2-yl)hydrazine-1,2- dicarbothioamidato]bis[chloridocopper(II)]","","- C12 H10 Cl2 Cu2 N6 S2 -","- C12 H10 Cl2 Cu2 N6 S2 -","- C48 H40 Cl8 Cu8 N24 S8 -","4","0.5","SU2393","Liu, Yang; Zhang, Bingguang; Deng, Kejian","[μ-<i>N</i>^1^,<i>N</i>^2^-Bis(pyridin-2-yl)hydrazine-1,2-dicarbothioamidato]bis[chloridocopper(II)]","Acta Crystallographica Section E","2013","69","1","m45","","10.1107/S1600536812048659","","","0.71073","MoKα","","0.0265","0.0242","","","0.0661","0.0675","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237227","15.416","0.003","11.474","0.003","17.094","0.004","90","","97.14","0.02","90","","3000.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","μ-Azido-κ^2^<i>N</i>^1^:<i>N</i>^1^-μ-chlorido-bis[(2-chloro-3- dimethylamino-1-phenylprop-1-en-1-yl-κ^2^<i>C</i>^1^,<i>N</i>)palladium(II)] chloroform monosolvate","","- C23 H27 Cl6 N5 Pd2 -","- C23 H27 Cl6 N5 Pd2 -","- C92 H108 Cl24 N20 Pd8 -","4","1","SU2528","Mafud, Ana C.; Oliviera, Milene A. R.; Gambardella, Maria T. P.","μ-Azido-κ^2^<i>N</i>^1^:<i>N</i>^1^-μ-chlorido-bis[(2-chloro-3-dimethylamino-1-phenylprop-1-en-1-yl-κ^2^<i>C</i>^1^,<i>N</i>)palladium(II)] chloroform monosolvate","Acta Crystallographica Section E","2013","69","1","m15","","10.1107/S1600536812047927","","","0.71073","MoKα","","0.2376","0.0634","","","","0.1697","","","","","","0.932","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237228","6.2529","0.0007","11.0931","0.001","27.64","0.002","90","","90","","90","","1917.2","0.3","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Benzyl isocyanide-κ<i>C</i>^1^)chlorido(2-chloro-3-dimethylamino-1-phenylprop- 1-en-1-yl-κ^2^<i>C</i>^1^,<i>N</i>)palladium(II)","","- C19 H20 Cl2 N2 Pd -","- C19 H20 Cl2 N2 Pd -","- C76 H80 Cl8 N8 Pd4 -","4","1","SU2529","Mafud, Ana C.; Oliviera, Milene A. R.; Gambardella, Maria T. P.","(Benzyl isocyanide-κ<i>C</i>^1^)chlorido(2-chloro-3-dimethylamino-1-phenylprop-1-en-1-yl-κ^2^<i>C</i>^1^,<i>N</i>)palladium(II)","Acta Crystallographica Section E","2013","69","1","m36","","10.1107/S1600536812049768","","","0.71073","MoKα","","0.0891","0.0389","","","","0.0854","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237229","8.726","0.0002","14.293","0.0003","18.108","0.0005","106.712","0.001","96.49","0.001","97.667","0.001","2116.27","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Diethylanilinium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate","","- C20 H21 N5 O7 -","- C20 H21 N5 O7 -","- C80 H84 N20 O28 -","4","2","SU2535","Kalaivani, Doraisamyraja; Mangaiyarkarasi, Govindan","<i>N</i>,<i>N</i>-Diethylanilinium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate","Acta Crystallographica Section E","2013","69","1","o3","o4","10.1107/S160053681204874X","","","0.71073","MoKα","","0.0616","0.0423","","","0.1087","0.1221","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237230","6.6211","0.0004","12.6668","0.0007","18.3413","0.0011","90","","90.698","0.004","90","","1538.14","0.16","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2,7,7,12,12,17,17-Octamethyl-21,22,23,24-tetrathia-2,7,12,17- tetragermapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosa- 3,5,8,10,13,15,18,20-octaene","","- C24 H32 Ge4 S4 -","- C24 H32 Ge4 S4 -","- C48 H64 Ge8 S8 -","2","0.5","SU2536","Carel, Guillaume; Mallet-Ladeira, Sonia; Rima, Ghassoub; Madec, David; Castel, Annie","2,2,7,7,12,12,17,17-Octamethyl-21,22,23,24-tetrathia-2,7,12,17-tetragermapentacyclo[16.2.1.1^3,6^.1^8,11^.1^13,16^]tetracosa-3,5,8,10,13,15,18,20-octaene","Acta Crystallographica Section E","2013","69","1","m37","","10.1107/S1600536812049720","","","0.71073","MoKα","","0.0568","0.0304","","","0.0568","0.0643","","","","","","1.013","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237231","16.8362","0.0009","8.1692","0.0004","14.44","0.0008","90","","98","0.003","90","","1966.72","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","14-Ethoxy-4,6-dimethyl-9-phenyl-8,12-dioxa-4,6- diazatetracyclo[8.8.0.0^2,7^.0^13,18^]octadeca-2(7),13,15,17-tetraene- 3,5,11-trione","","- C23 H20 N2 O6 -","- C23 H20 N2 O6 -","- C92 H80 N8 O24 -","4","1","SU2537","Jagadeesan, G.; Kannan, D.; Bakthadoss, M.; Aravindhan, S.","14-Ethoxy-4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.0^2,7^.0^13,18^]octadeca-2(7),13,15,17-tetraene-3,5,11-trione","Acta Crystallographica Section E","2013","69","1","o80","","10.1107/S160053681205009X","","","0.71073","MoKα","","0.0706","0.0455","","","0.1161","0.13","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237232","7.92185","0.00014","20.6794","0.0004","14.213","0.0003","90","","106.043","0.001","90","","2237.68","0.08","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(8-Benzoyl-2,7-diethoxynaphthalen-1-yl)(phenyl)methanone","","- C28 H24 O4 -","- C28 H24 O4 -","- C112 H96 O16 -","4","1","SU2538","Isogai, Atsumi; Tsumuki, Takehiro; Murohashi, Shun; Okamoto, Akiko; Yonezawa, Noriyuki","(8-Benzoyl-2,7-diethoxynaphthalen-1-yl)(phenyl)methanone","Acta Crystallographica Section E","2013","69","1","o71","","10.1107/S1600536812049963","","","1.54187","CuKα","","0.0374","0.0348","","","0.0886","0.0905","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237233","7.697","0.0007","7.7339","0.0007","15.7254","0.0013","84.541","0.002","81.314","0.002","78.717","0.001","905.4","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[(1<i>RS</i>,2<i>RS</i>)-4,4'-(1-azaniumyl-2-hydroxyethane-1,2- diyl)dipyridinium] tris[tetrachloridopalladate(II)]","","- C24 H32 Cl12 N6 O2 Pd3 -","- C24 H32 Cl12 N6 O2 Pd3 -","- C24 H32 Cl12 N6 O2 Pd3 -","1","0.5","SU2540","Campos-Gaxiola, Jose J.; Baez-Castro, Alberto; Cruz-Enriquez, Adriana; Hopfl, Herbert; Parra-Hake, Miguel","Bis[(1<i>RS</i>,2<i>RS</i>)-4,4'-(1-azaniumyl-2-hydroxyethane-1,2-diyl)dipyridinium] tris[tetrachloridopalladate(II)]","Acta Crystallographica Section E","2013","69","1","m65","m66","10.1107/S1600536812050817","","","0.71073","MoKα","","0.0349","0.0317","","","0.0748","0.0766","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237234","10.51","0.002","15.63","0.003","23.28","0.005","104.69","0.03","90.2","0.03","109.58","0.03","3468.9","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[(L){Rh(COD)}~2~][PF~6~]~2~ (L = bis{4,5-bis(1-methylene-3- methylimidazolidene)}benzo-18-crown-6; COD = 1,5-cyclooctadiene)","(μ-3,3',3'',3'''-{[2,5,8,15,18,21- Hexaoxatricyclo[20.4.0.0^9,14^]hexacosa-1(22),9,11,13,23,25-hexaene- 11,12,24,25-tetrayl]tetrakis(methylene)}tetrakis(1-methyl-1<i>H</i>-imidazol- 2-yl))bis[(η^4^-cycloocta-1,4-diene)rhodium(I)] bis(hexafluoridophosphate) acetonitrile sesquisolvate dihydrate","","- C59 H74.5 F12 N9.5 O8 P2 Rh2 -","- C59 H74.5 F12 N9.5 O8 P2 Rh2 -","- C118 H149 F24 N19 O16 P4 Rh4 -","2","1","TK5170","Shrestha, Sumi; Bhadbhade, Mohan; Gimbert-Suriñach, Carolina; Colbran, Stephen B.","A dimer of bis(N-heterocyclic carbene)rhodium(I) centres spanned by a dibenzo-18-crown-6 bridge from synchrotron radiation","Acta Crystallographica Section E","2013","69","1","m47","m48","10.1107/S160053681204901X","","","0.71073","Synchrotron","","0.0582","0.0509","","","0.1588","0.1642","","","","","","1.333","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237235","12.3393","0.0004","15.1238","0.0006","14.6988","0.0004","90","","95.037","0.003","90","","2732.45","0.16","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-<i>tert</i>-butyl-<i>N</i>-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)- 2-(pyrimidin-2-yl)pyrimidin-4-yl]benzene-1-sulfonamide monohydrate","","- C27 H31 N5 O7 S -","- C27 H31 N5 O7 S -","- C108 H124 N20 O28 S4 -","4","1","TK5176","Kaur, Manpreet; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Betz, Richard; Gerber, Thomas; Butcher, Ray J.","Bosentan monohydrate","Acta Crystallographica Section E","2013","69","1","o12","o13","10.1107/S1600536812048969","","","1.54184","CuKα","","0.07","0.055","","","0.1529","0.1631","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237236","10.695","0.003","44.458","0.014","4.4437","0.0011","90","","99.004","0.009","90","","2086.8","1","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","1-[4-({4-[(<i>E</i>)-(2-Hydroxynaphthalen-1- yl)methylideneamino]phenyl}sulfanyl)phenyl]ethanone","","- C25 H19 N O2 S -","- C25 H19 N O2 S -","- C100 H76 N4 O8 S4 -","4","1","TK5178","Hebbachi, Rabihe; Mousser, Hénia; Mousser, Abdelhamid","1-[4-({4-[(<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylideneamino]phenyl}sulfanyl)phenyl]ethanone","Acta Crystallographica Section E","2013","69","1","o67","o68","10.1107/S1600536812049835","","","0.71073","MoKα","","0.06","0.0459","","","0.1156","0.1245","","","","","","0.983","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237237","5.0314","0.0001","5.0314","0.0001","58.701","0.003","90","","90","","90","","1486.01","0.09","100","0.1","100","0.1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","<i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)dibenzamide","","- C19 H15 N3 O2 -","- C19 H15 N3 O2 -","- C76 H60 N12 O8 -","4","0.5","TK5180","Mahboubi Anarjan, Parisa; Noshiranzadeh, Nader; Bikas, Rahman; Woińska, Magdalena; Wozniak, Krzysztof","<i>N</i>,<i>N</i>'-(Pyridine-2,6-diyl)dibenzamide","Acta Crystallographica Section E","2013","69","1","o102","","10.1107/S1600536812050167","","","0.71073","MoKα","","0.0516","0.0441","","","0.0866","0.0895","","","","","","1.226","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237238","12.5585","0.0005","5.7181","0.0002","17.4153","0.0007","90","","95.277","0.002","90","","1245.31","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Methylbenzyl)-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","TK5182","Belaziz, Dounia; Kandri Rodi, Youssef; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-(4-Methylbenzyl)-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","1","o122","","10.1107/S1600536812050726","","","0.71073","MoKα","","0.0781","0.0444","","","0.106","0.1219","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237239","5.6252","0.0002","22.5957","0.0008","7.5777","0.0003","90","","109.498","0.004","90","","907.93","0.06","135","0.1","135","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-Dimethylamino-1-(1,3-thiazol-2-yl)prop-2-en-1-one","","- C8 H10 N2 O S -","- C8 H10 N2 O S -","- C32 H40 N8 O4 S4 -","4","1","VM2183","You, Xin-Yu; Shi, Yao-Jie; Yu, Luo-Ting","(<i>E</i>)-3-Dimethylamino-1-(1,3-thiazol-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","1","o18","","10.1107/S1600536812048817","","","0.7107","MoKα","","0.0434","0.0347","","","0.0856","0.0902","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237240","8.9501","0.0002","12.4741","0.0003","17.6994","0.0005","93.057","0.001","91.658","0.001","108.024","0.001","1874.25","0.08","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","3-{3,5-Bis[(2-butoxyethoxy)carbonyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl}- 1-[(3,4,5-trimethoxybenzoyl)methyl]pyridinium bromide","","- C37 H51 Br N2 O10 -","- C37 H51 Br N2 O10 -","- C74 H102 Br2 N4 O20 -","2","1","VM2184","Bisenieks, Imants; Mishnev, Anatoly; Bruvere, Imanta; Vigante, Brigita","3-{3,5-Bis[(2-butoxyethoxy)carbonyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl}-1-[(3,4,5-trimethoxybenzoyl)methyl]pyridinium bromide","Acta Crystallographica Section E","2013","69","1","o58","o59","10.1107/S1600536812049896","","","0.71073","MoKα","","0.0855","0.0556","","","0.1138","0.127","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237241","18.117","0.004","12.987","0.003","12.881","0.003","90","","121.46","0.03","90","","2585.2","1.3","223.15","","223.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ^2^<i>O</i>,<i>O</i>')cobalt(II) propane-1,2-diol monosolvate","","- C27 H24 Co N4 O6 S -","- C27 H24 Co N4 O6 S -","- C108 H96 Co4 N16 O24 S4 -","4","0.5","VN2062","Zhong, Kai-Long","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) propane-1,2-diol monosolvate","Acta Crystallographica Section E","2013","69","1","m26","","10.1107/S1600536812049616","","","0.71073","MoKα","","0.0668","0.0516","","","0.1221","0.1288","","","","","","0.946","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237242","5.8044","0.0006","10.5062","0.001","18.9887","0.0019","97.307","0.001","94.163","0.001","91.695","0.001","1144.7","0.2","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","<i>catena</i>-Poly[[tris(acetonitrile-κ<i>N</i>)praseodymium(III)]tris(μ- trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')]","","- C9 H9 F9 N3 O9 Pr S3 -","- C9 H9 F9 N3 O9 Pr S3 -","- C18 H18 F18 N6 O18 Pr2 S6 -","2","1","VN2063","Apostolidis, Christos; Walter, Olaf","<i>catena</i>-Poly[[tris(acetonitrile-κ<i>N</i>)praseodymium(III)]tris(μ-trifluoromethanesulfonato-κ^2^<i>O</i>:<i>O</i>')]","Acta Crystallographica Section E","2013","69","1","m21","","10.1107/S1600536812049525","","","0.71073","MoKα","","0.0441","0.0355","","","0.0739","0.0764","","","","","","1.162","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237243","21.1611","0.0004","22.1298","0.0004","22.602","0.0004","112.345","0.001","101.135","0.001","96.757","0.001","9389.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Carbonyl{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5- tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]biphenyl- κ^2^<i>P</i>,<i>P</i>'}hydrido(triphenylphosphane-κ<i>P</i>)rhodium(I) diethyl ether trisolvate","","- C105 H114 O12 P3 Rh -","- C95 H89 O9.5 P3 Rh -","- C380 H356 O38 P12 Rh4 -","4","2","WM2697","Selent, Detlef; Spannenberg, Anke; Börner, Armin","Carbonyl{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]biphenyl-κ^2^<i>P</i>,<i>P</i>'}hydrido(triphenylphosphane-κ<i>P</i>)rhodium(I) diethyl ether trisolvate","Acta Crystallographica Section E","2013","69","1","m14","","10.1107/S1600536812049124","","","0.71073","MoKα","","0.0779","0.0532","","","0.141","0.1523","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237244","8.32","0.0003","8.32","0.0003","5.0239","0.0002","90","","90","","90","","347.77","0.02","293","","293","","","","","","","","","4","P 4 b m","P 4 -2ab","100","Strontium fresnoite","Distrontium oxidotitanium disilicate","","- O8 Si2 Sr2 Ti -","- O8 Si2 Sr2 Ti -","- O16 Si4 Sr4 Ti2 -","2","0.25","WM2699","Bell, Anthony M. T.; Henderson, C. Michael B.","Sr‒fresnoite determined from synchrotron X-ray powder diffraction data","Acta Crystallographica Section E","2013","69","1","i1","","10.1107/S1600536812048921","powder diffraction","","0.207549","Synchrotron","","","","","","","","","","5.5739","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2237245","6.2104","0.00015","6.93014","0.00016","26.7851","0.0007","90","","90","","90","","1152.8","0.05","140","2","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Potassium (1<i>R</i>,4<i>R</i>,5<i>S</i>,8<i>S</i>)-4,5,8-trihydroxy-3-oxo-2,6-dioxabicyclo[3.3.0]octane-4-sulfonate dihydrate","","- C6 H11 K O11 S -","- C6 H11 K O11 S -","- C24 H44 K4 O44 S4 -","4","1","WM2701","Haines, Alan H.; Hughes, David L.","Potassium (1<i>R</i>,4<i>R</i>,5<i>S</i>,8<i>S</i>)-4,5,8-trihydroxy-3-oxo-2,6-dioxabicyclo[3.3.0]octane-4-sulfonate dihydrate","Acta Crystallographica Section E","2013","69","1","m7","m8","10.1107/S1600536812048672","","","0.71073","Mo-Kα","","0.0178","0.0177","","","0.0475","0.0476","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237246","11.1523","0.0006","11.212","0.0006","13.9255","0.0007","90","","102.827","0.003","90","","1697.79","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-Bis[(pyridin-4-yl)methoxy]benzoic acid","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C76 H64 N8 O16 -","4","1","WM2702","Lin, Hong; Zhang, Yi-Ping","3,5-Bis[(pyridin-4-yl)methoxy]benzoic acid","Acta Crystallographica Section E","2013","69","1","o77","","10.1107/S1600536812049550","","","0.71073","MoKα","","0.06","0.0459","","","0.1196","0.1315","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237247","19.0497","0.0009","8.0534","0.0005","17.7883","0.0011","90","","92.368","0.006","90","","2726.7","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(4,4'-sulfanediyldipyridinium) tetrachloridonickelate(II) dichloride","","- C20 H20 Cl6 N4 Ni S2 -","- C20 H20 Cl6 N4 Ni S2 -","- C80 H80 Cl24 N16 Ni4 S8 -","4","0.5","WM2703","Werner, Julia; Jess, Inke; Näther, Christian","Bis(4,4'-sulfanediyldipyridinium) tetrachloridonickelate(II) dichloride","Acta Crystallographica Section E","2013","69","1","m59","","10.1107/S1600536812050623","","","0.71073","MoKα","","0.0611","0.0374","","","0.0754","0.0839","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237248","7.0816","0.0003","6.6863","0.0002","11.7382","0.0005","90","","101.005","0.004","90","","545.58","0.04","200","1","200","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","caesium 4-amino-3,5,6-trichloropicolinate monohydrate","Poly[(μ~6~-4-amino-3,5,6-trichloropyridine-2-carboxylato)aquacaesium]","","- C6 H4 Cl3 Cs N2 O3 -","- C6 H4 Cl3 Cs N2 O3 -","- C12 H8 Cl6 Cs2 N4 O6 -","2","0.5","WM2705","Smith, Graham","Poly[(μ~6~-4-amino-3,5,6-trichloropyridine-2-carboxylato)aquacaesium]","Acta Crystallographica Section E","2013","69","1","m22","m23","10.1107/S1600536812049562","","","0.71073","MoKα","","0.0216","0.0207","","","0.0521","0.0526","","","","","","0.979","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237249","14.758","0.0005","6.706","0.0002","20.6845","0.0007","90","","96.969","0.002","90","","2031.96","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(nitrito- κ<i>N</i>)cobalt(III) (ethylenediamine-κ^2^<i>N</i>,<i>N</i>')tetrakis(nitrito- κ<i>N</i>)cobaltate(III) monohydrate","","- C6 H26 Co2 N12 O13 -","- C6 H26 Co2 N12 O13 -","- C24 H104 Co8 N48 O52 -","4","1","WM2706","Burrow, Robert A.; de Vicenti, Juliano R.","Redetermination of <i>cis</i>-bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(nitrito-κ<i>N</i>)cobalt(III) (ethylenediamine-κ^2^<i>N</i>,<i>N</i>')tetrakis(nitrito-κ<i>N</i>)cobaltate(III) monohydrate","Acta Crystallographica Section E","2013","69","1","m56","m57","10.1107/S1600536812050325","","","0.71073","MoKα","","0.0527","0.0352","","","0.0786","0.0867","","","","","","1.067","","","","has coordinates,has Fobs","204117","2020-10-21","18:00:00",""
"2237250","10.2022","0.0015","8.7975","0.0013","10.93","0.0016","90","","106.323","0.002","90","","941.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Rubidium ytterbium(III) tetrakis(polyphosphate)","","- O12 P4 Rb Yb -","- O12 P4 Rb Yb -","- O48 P16 Rb4 Yb4 -","4","1","WM2707","Zhu, Jing; Chen, Hui","RbYb(PO~3~)~4~","Acta Crystallographica Section E","2013","69","1","i3","","10.1107/S1600536812050969","","","0.71073","MoKα","","0.065","0.0432","","","0.072","0.0778","","","","","","1","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237251","7.7202","0.0003","9.2462","0.0004","18.0294","0.0008","90","","99.935","0.002","90","","1267.68","0.09","299","2","299","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-Methoxy-11<i>H</i>-benzo[<i>b</i>]fluoren-11-one","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","XU5629","Fang, Sin-Kai; Chang, Che-Wei; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu","1-Methoxy-11<i>H</i>-benzo[<i>b</i>]fluoren-11-one","Acta Crystallographica Section E","2013","69","1","o79","","10.1107/S1600536812050076","","","0.71073","MoKα","","0.1138","0.0834","","","0.2092","0.2499","","","","","","1.105","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237252","9.8186","0.001","9.8201","0.0009","11.3352","0.0013","81.47","0.008","76.308","0.009","75.042","0.009","1021.46","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-2-Phenyl-<i>N</i>-tosylnon-2-en-4-ynamide","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C44 H46 N2 O6 S2 -","2","1","XU5655","Meng, Xiang-Zhen; Wan, Xin-Jun","(<i>E</i>)-2-Phenyl-<i>N</i>-tosylnon-2-en-4-ynamide","Acta Crystallographica Section E","2013","69","1","o78","","10.1107/S1600536812048489","","","0.71073","MoKα","","0.0798","0.0477","","","0.0819","0.0957","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237253","11.466","0.002","8.2439","0.0016","15.559","0.003","90","","97.82","0.03","90","","1457","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,2,4,6-Pentamethylanilinium hexafluorophosphate","","- C11 H18 F6 N P -","- C11 H18 F6 N P -","- C44 H72 F24 N4 P4 -","4","1","XU5658","Zhang, Yuan","<i>N</i>,<i>N</i>,2,4,6-Pentamethylanilinium hexafluorophosphate","Acta Crystallographica Section E","2013","69","1","o31","","10.1107/S1600536812049379","","","0.71073","MoKα","","0.1123","0.0632","","","0.158","0.1862","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237254","9.3109","0.0019","11.431","0.002","24.718","0.005","90","","90","","90","","2630.8","0.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Butan-1-aminium tetrachloridoferrate(III)‒18-crown-6 (1/1)","Butan-1-aminium tetrachloridoferrate(III)‒1,4,7,10,13,16- hexaoxacyclooctadecane (1/1)","","- C16 H36 Cl4 Fe N O6 -","- C16 H36 Cl4 Fe N O6 -","- C64 H144 Cl16 Fe4 N4 O24 -","4","0.5","XU5660","Zhang, Yuan","Butan-1-aminium tetrachloridoferrate(III)‒18-crown-6 (1/1)","Acta Crystallographica Section E","2013","69","1","m38","","10.1107/S160053681204994X","","","0.71073","MoKα","","0.15","0.0788","","","0.1965","0.234","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237255","10.9115","0.0004","7.0127","0.0002","12.5984","0.0005","90","","97.819","0.004","90","","955.06","0.06","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Bis(piperidin-1-yl)-9,10-anthraquinone","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","0.5","XU5662","Niedziałkowski, Paweł; Wnuk, Elżbieta; Wcisło, Anna; Trzybiński, Damian","1,5-Bis(piperidin-1-yl)-9,10-anthraquinone","Acta Crystallographica Section E","2013","69","1","o110","","10.1107/S1600536812050313","","","0.71073","MoKα","","0.0622","0.0412","","","0.0931","0.1015","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237256","11.2439","0.0002","17.3325","0.0004","19.7575","0.0004","90","","105.778","0.002","90","","3705.36","0.14","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-{(<i>E</i>)-[5-(2-Nitrophenyl)furan-2-yl]methylidene}-2,2-diphenylhydrazine","","- C23 H17 N3 O3 -","- C23 H17 N3 O3 -","- C184 H136 N24 O24 -","8","1","XU5663","Flores-Alamo, Marcos; Cabrera-Vivas, Blanca M.; Meléndrez-Luevano, Ruth; Hernández P., Julio M.; Ruiz-Azuara, Lena","1-{(<i>E</i>)-[5-(2-Nitrophenyl)furan-2-yl]methylidene}-2,2-diphenylhydrazine","Acta Crystallographica Section E","2013","69","1","o90","","10.1107/S1600536812050246","","","1.54184","CuKα","","0.0407","0.0367","","","0.0934","0.0969","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237257","24.604","0.003","18.877","0.003","24.816","0.003","90","","94.763","0.003","90","","11486","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Hexakis(μ~3~-2-hydroxynaphthalene-1-carboxaldehyde thiosemicarbazonato-κ^3^<i>N</i>^2^:<i>S</i>:<i>S</i>)hexasilver(I) <i>N</i>,<i>N</i>'-dimethylformamide tetrasolvate","","- C84 H88 Ag6 N22 O10 S6 -","- C84 H88 Ag6 N22 O10 S6 -","- C336 H352 Ag24 N88 O40 S24 -","4","0.5","YK2079","Sun, Qiaozhen; Chai, Liyuan; Liu, Hui; Wang, Junke","Hexakis(μ~3~-2-hydroxynaphthalene-1-carboxaldehyde thiosemicarbazonato-κ^3^<i>N</i>^2^:<i>S</i>:<i>S</i>)hexasilver(I) <i>N</i>,<i>N</i>-dimethylformamide tetrasolvate","Acta Crystallographica Section E","2013","69","1","m50","m51","10.1107/S1600536812050155","","","0.71073","MoKα","","0.06","0.0459","","","0.1372","0.1446","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237258","13.4559","0.0004","10.3917","0.0002","17.2641","0.0004","90","","111.751","0.001","90","","2242.16","0.1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido{[(<i>E</i>)-2-(diphenylphosphanyl)benzylidene](furan-2- ylmethyl)amine-κ<i>P</i>}gold(I)","","- C24 H20 Au Cl N O P -","- C24 H20 Au Cl N O P -","- C96 H80 Au4 Cl4 N4 O4 P4 -","4","1","YK2081","Chiririwa, Haleden; Davis, Wade L.","Chlorido{[(<i>E</i>)-2-(diphenylphosphanyl)benzylidene](furan-2-ylmethyl)amine-κ<i>P</i>}gold(I)","Acta Crystallographica Section E","2013","69","1","m53","","10.1107/S1600536812050404","","","0.71073","MoKα","","0.0644","0.039","","","0.0878","0.0999","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237259","7.3443","0.0015","10.847","0.002","12.475","0.003","106.66","0.03","103.53","0.02","92.79","0.03","918.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","Methyl 4-(4-chlorophenyl)-8-iodo-2-methyl-6-oxo-1,6-dihydro-4<i>H</i>- pyrimido[2,1-<i>b</i>]quinazoline-3-carboxylate","","- C20 H15 Cl I N3 O3 -","- C20 H15 Cl I N3 O3 -","- C40 H30 Cl2 I2 N6 O6 -","2","1","YK2082","Nayak, Susanta K.; Venugopala, K. N.; Odhav, Bharti","Methyl 4-(4-chlorophenyl)-8-iodo-2-methyl-6-oxo-1,6-dihydro-4<i>H</i>-pyrimido[2,1-<i>b</i>]quinazoline-3-carboxylate","Acta Crystallographica Section E","2013","69","1","o123","o124","10.1107/S1600536812050787","","","0.71073","MoKα","","0.0317","0.0241","","","0.0572","0.0592","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237260","10.7315","0.0017","23.605","0.004","7.6478","0.0012","90","","96.523","0.003","90","","1924.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aqua{2-(pyridin-2-yl)-<i>N</i>-[(pyridin-2-yl)methylidene]ethanamine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(sulfato-κ^2^<i>O</i>,<i>O</i>')copper(II) tetrahydrate","","- C13 H23 Cu N3 O9 S -","- C13 H23 Cu N3 O9 S -","- C52 H92 Cu4 N12 O36 S4 -","4","1","ZL2518","Tinguiano, Daniel; Sow, Mouhamadou Moustapha; Tamboura, Farba Bouyagui; Barry, Aliou Hamady; Gaye, Mohamed","Aqua{2-(pyridin-2-yl)-<i>N</i>-[(pyridin-2-yl)methylidene]ethanamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}(sulfato-κ^2^<i>O</i>,<i>O</i>')copper(II) tetrahydrate","Acta Crystallographica Section E","2013","69","1","m24","m25","10.1107/S1600536812049380","","","0.71073","MoKα","","0.0587","0.0371","","","0.0884","0.1032","","","","","","1.043","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2237261","13.7751","0.0006","24.5147","0.0011","18.0172","0.0008","90","","111.72","0.001","90","","5652.3","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>'](μ-1- ethylthiourea-κ^2^<i>S</i>:<i>S</i>)bis[iodidocopper(I)] acetonitrile sesquisolvate","","- C56 H56.5 Cu2 I2 N3.5 P4 S -","- C56 H56.5 Cu2 I2 N3.5 P4 S -","- C224 H226 Cu8 I8 N14 P16 S4 -","4","1","ZL2525","Nimthong, Ruthairat; Wattanakanjana, Yupa; Pakawatchai, Chaveng","Bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>'](μ-1-ethylthiourea-κ^2^<i>S</i>:<i>S</i>)bis[iodidocopper(I)] acetonitrile sesquisolvate","Acta Crystallographica Section E","2013","69","1","m68","m69","10.1107/S1600536812050970","","","0.71073","MoKα","","0.0612","0.0458","","","0.0958","0.1006","","","","","","1.054","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237262","21.9467","0.0004","10.43729","0.00018","11.20623","0.00019","90","","90.0458","0.0015","90","","2566.94","0.08","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Diphenylmethyl-1-[(<i>E</i>)-3-phenylprop-2-en-1-yl]piperazin-1-ium (2<i>Z</i>)-3-carboxyprop-2-enoate","","- C30 H32 N2 O4 -","- C30 H32 N2 O4 -","- C120 H128 N8 O16 -","4","1","ZL2527","Kavitha, C. N.; Yildirim, Sema Ōztūrk; Jasinski, Jerry P.; Yathirajan, H. S.; Butcher, Ray J.","Cinnarizinium fumarate","Acta Crystallographica Section E","2013","69","1","o142","o143","10.1107/S1600536812051239","","","1.54184","CuKα","","0.0527","0.043","","","0.1119","0.1211","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237263","18.0123","0.0015","7.0128","0.0006","15.4364","0.0013","90","","90","","90","","1949.9","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","(3<i>E</i>,5<i>E</i>)-3,5-Bis(2-chlorobenzylidene)-1-propylpiperidin-4-one","","- C22 H21 Cl2 N O -","- C22 H21 Cl2 N O -","- C88 H84 Cl8 N4 O4 -","4","1","ZQ2188","Yang, Quanzhi; Chen, Lingzi; Weng, Bixia; Fan, Lei; Wu, Xiaoping","(3<i>E</i>,5<i>E</i>)-3,5-Bis(2-chlorobenzylidene)-1-propylpiperidin-4-one","Acta Crystallographica Section E","2013","69","1","o63","","10.1107/S1600536812049252","","","0.71073","MoKα","","0.0382","0.0346","","","0.0852","0.0882","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237264","3.8583","0.0003","26.2739","0.0013","15.1147","0.001","90","","94.877","0.006","90","","1526.67","0.17","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","11,12-Dichlorodibenzo[<i>a</i>,<i>c</i>]phenazine","","- C20 H10 Cl2 N2 -","- C20 H10 Cl2 N2 -","- C80 H40 Cl8 N8 -","4","0.5","ZS2242","Imeri, Arta; Glagovich, Neil M.; Crundwell, Guy","11,12-Dichlorodibenzo[<i>a</i>,<i>c</i>]phenazine","Acta Crystallographica Section E","2013","69","1","o48","","10.1107/S1600536812049690","","","0.71073","MoKα","","0.0765","0.0388","","","0.0952","0.1035","","","","","","0.828","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237265","8.908","0.0003","10.755","0.0004","11.953","0.0006","63.446","0.001","89.364","0.002","73.408","0.001","972.6","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","aqua(4-cyanopyridine-κ<i>N</i>)(5,10,15,20-tetraphenylporphyrinato κ<i></i>^4^-<i>N</i>)magnesium","Aqua(4-cyanopyridine-κ<i>N</i>^4^)(5,10,15,20-tetraphenylporphyrinato- κ^4^<i>N</i>)magnesium","","- C50 H32 Mg N6 O -","- C50 H32 Mg N6 O -","- C50 H32 Mg N6 O -","1","0.5","ZS2246","Ezzayani, Khaireddine; Belkhiria, Mohamed Salah; Najmudin, Shabir; Bonifácio, Cecilia; Nasri, Habib","Aqua(4-cyanopyridine-κ<i>N</i>^4^)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)magnesium","Acta Crystallographica Section E","2013","69","1","m17","m18","10.1107/S1600536812049434","","","0.71073","MoKα","","0.0449","0.039","","","0.099","0.1031","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2237266","11.926","0.003","6.5911","0.0014","8.991","0.002","90","","103.574","0.014","90","","687","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","rac-2,3-Dibromopropionamide","<i>rac</i>-2,3-Dibromopropionamide","","- C3 H5 Br2 N O -","- C3 H5 Br2 N O -","- C12 H20 Br8 N4 O4 -","4","1","BG2488","Köppen, Robert; Emmerling, Franziska; Koch, Matthias","<i>rac</i>-2,3-Dibromopropionamide","Acta Crystallographica Section E","2013","69","2","o151","","10.1107/S160053681205132X","","","0.71073","MoKα","","0.1967","0.0657","","","0.153","0.1841","","","","","","0.773","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237267","4.4054","0.0002","11.9881","0.0005","13.701","0.0005","90.057","0.001","91.803","0.001","97.743","0.001","716.62","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","3-Chloro-4-fluoroanilinium picrate","3-Chloro-4-fluoroanilinium 2,4,6-trinitrophenolate","","- C12 H8 Cl F N4 O7 -","- C12 H8 Cl F N4 O7 -","- C24 H16 Cl2 F2 N8 O14 -","2","1","BG2490","Sarojini, Balladka K.; Narayana, Badiadka; Yathirajan, Hemmige S.; Gerber, Thomas; van Brecht, Benjamin; Betz, Richard","3-Chloro-4-fluoroanilinium picrate","Acta Crystallographica Section E","2013","69","2","o240","","10.1107/S1600536813000718","","","0.71073","MoKα","","0.0459","0.0367","","","0.0881","0.0968","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237268","5.2989","0.0017","9.024","0.003","23.268","0.007","90","","90","","90","","1112.6","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-(β-Carboxyethyl)-α-isoleucine","2-[(2-Carbamoylethyl)amino]-3-methylpentanoic acid","","- C9 H18 N2 O3 -","- C9 H18 N2 O3 -","- C36 H72 N8 O12 -","4","1","BG2493","Nehls, Irene; Hanebeck, Olaf; Becker, Roland; Emmerling, Franziska","<i>N</i>-(β-Carboxyethyl)-α-isoleucine","Acta Crystallographica Section E","2013","69","2","o172","o173","10.1107/S160053681205146X","","","0.71073","MoKα","","0.0582","0.043","","","0.1084","0.1144","","","","","","0.95","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237269","13.0943","0.0003","14.573","0.0003","19.9366","0.0005","90","","90","","90","","3804.37","0.15","298","2","298","2","","","","","","","","6","P 21 c n","P -2n 2a","33","","<i>cis</i>-Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(pyridin-4-amine- κ<i>N</i>^1^)ruthenium(II) bis(hexafluoridophosphate)","","- C34 H28 F12 N8 P2 Ru -","- C34 H28 F12 N8 P2 Ru -","- C136 H112 F48 N32 P8 Ru4 -","4","1","BG2495","Camilo, Mariana R.; Martins, Felipe T.; Malta, Valéria R. S.; Ellena, Javier; Carlos, Rose M.","<i>cis</i>-Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(pyridin-4-amine-κ<i>N</i>^1^)ruthenium(II) bis(hexafluoridophosphate)","Acta Crystallographica Section E","2013","69","2","m75","m76","10.1107/S1600536812051999","","","0.71073","MoKα","","","0.0529","","","","0.1506","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237270","10.829","0.0003","11.889","0.0003","16.102","0.0004","104.073","0.001","99.114","0.002","107.761","0.002","1853.32","0.09","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(pyridin-4-amine- κ<i>N</i>^1^)ruthenium(II) bis(hexafluoridophosphate) acetonitrile monosolvate","","- C32 H31 F12 N9 P2 Ru -","- C32 H31 F12 N9 P2 Ru -","- C64 H62 F24 N18 P4 Ru2 -","2","1","BG2496","Camilo, Mariana R.; Martins, Felipe T.; Malta, Valéria R. S.; Ellena, Javier; Carlos, Rose M.","<i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(pyridin-4-amine-κ<i>N</i>^1^)ruthenium(II) bis(hexafluoridophosphate) acetonitrile monosolvate","Acta Crystallographica Section E","2013","69","2","m77","m78","10.1107/S1600536812052002","","","0.71073","MoKα","","","0.0532","","","","0.148","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237271","10.035","0.001","10.922","0.0011","12.25","0.0015","105.956","0.002","100.088","0.003","109.377","0.003","1164.1","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[μ~2~-iodido-diiodidobis(μ~3~-pyridine-2-thione- κ^3^<i>S</i>:<i>S</i>:<i>S</i>)(μ~2~-pyridine-2-thione- κ^2^<i>S</i>:<i>S</i>)tricopper(I)]","","- C15 H15 Cu3 I3 N3 S3 -","- C15 H15 Cu3 I3 N3 S3 -","- C30 H30 Cu6 I6 N6 S6 -","2","1","BH2469","Ke, Fang; Wu, Wen","<i>catena</i>-Poly[μ~2~-iodido-diiodidobis(μ~3~-pyridine-2-thione-κ^3^<i>S</i>:<i>S</i>:<i>S</i>)(μ~2~-pyridine-2-thione-κ^2^<i>S</i>:<i>S</i>)tricopper(I)]","Acta Crystallographica Section E","2013","69","2","m87","","10.1107/S1600536812052051","","","0.71073","MoKα","","0.0516","0.0404","","","0.1075","0.1154","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237272","7.4154","0.0007","12.8896","0.001","19.649","0.002","90","","92.848","0.009","90","","1875.8","0.3","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-(4-nitrobenzyl)pyridinium 5-sulfosalicylate","4-(4-Nitrobenzyl)pyridinium 3-carboxy-4-hydroxybenzenesulfonate","","- C19 H16 N2 O8 S -","- C19 H16 N2 O8 S -","- C76 H64 N8 O32 S4 -","4","1","BH2470","Smith, Graham; Wermuth, Urs D.","4-(4-Nitrobenzyl)pyridinium 3-carboxy-4-hydroxybenzenesulfonate","Acta Crystallographica Section E","2013","69","2","o206","","10.1107/S1600536813000093","","","0.71073","MoKα","","0.1048","0.0705","","","0.1639","0.1726","","","","","","1.206","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237273","8.379","0.005","16.958","0.005","22.063","0.005","90","","96.605","0.005","90","","3114","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5''-(4-Methoxybenzylidene)-1'-(4-methoxyphenyl)-1''-methyl- 1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine- 2',3''-piperidine]-2,4''(1<i>H</i>)-dione","","- C39 H38 N2 O4 -","- C39 H38 N2 O4 -","- C156 H152 N8 O16 -","4","1","BH2471","Suresh, J.; Nagalakshmi, R. A.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","5''-(4-Methoxybenzylidene)-1'-(4-methoxyphenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","2","o256","o257","10.1107/S1600536813001177","","","0.71073","MoKα","","0.0947","0.0655","","","0.1667","0.1827","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237274","8.0265","0.0005","25.7011","0.0015","9.7763","0.0006","90","","90","","90","","2016.8","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Methyl 4'-(4-fluorophenyl)-1'-methyl-3'-nitromethyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C21 H20 F N3 O5 -","- C21 H20 F N3 O5 -","- C84 H80 F4 N12 O20 -","4","1","BH2472","Revathi, B. K.; Sathya, S.; Usha, G.; Murugan, G.; Bakthadoss, M.","Methyl 4'-(4-fluorophenyl)-1'-methyl-3'-nitromethyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2013","69","2","o278","","10.1107/S1600536813001578","","","0.71073","MoKα","","0.0505","0.0471","","","0.128","0.1321","","","","","","1.128","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237275","7.2262","0.0005","13.5823","0.0009","17.9818","0.0012","90","","97.023","0.004","90","","1751.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Chloro-1-methyl-4-[2-(3-phenylallylidene)hydrazinylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","","- C18 H16 Cl N3 O2 S -","- C18 H16 Cl N3 O2 S -","- C72 H64 Cl4 N12 O8 S4 -","4","1","BQ2381","Shafiq, Muhammad; Tahir, M. Nawaz; Harrison, William T. A.; Khan, Islam Ullah; Shafique, Sidra","3-Chloro-1-methyl-4-[2-(3-phenylallylidene)hydrazinylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2013","69","2","o165","","10.1107/S1600536812051513","","","0.71073","MoKα","","0.1177","0.0667","","","0.1748","0.2011","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237276","8.5253","0.0004","8.5253","0.0004","10.8039","0.0006","90","","90","","120","","680.03","0.06","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","Tricalcium germanium bis(sulfate) hexahydroxide trihydrate","","- Ca3 Ge H12 O17 S2 -","- Ca3 Ge H12 O17 S2 -","- Ca6 Ge2 H24 O34 S4 -","2","0.0833333","BR2217","Origlieri, Marcus J.; Downs, Robert T.","Schaurteite, Ca~3~Ge(SO~4~)~2~(OH)~6~·3H~2~O","Acta Crystallographica Section E","2013","69","2","i6","","10.1107/S1600536812050945","","","0.71073","MoKα","","0.0307","0.0219","","","0.0426","0.045","","","","","","1.146","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2237277","5.7757","0.0012","5.7757","0.0012","10.87","0.002","90","","90","","90","","362.61","0.13","293","2","293","2","","","","","","","Pirquitas, Jujuy Province, Argentina","7","I -4","I -4","82","Pirquitasite","Disilver zinc tin tetrasulfide","Pirquitasite","- Ag1.87 Cd0.03 Cu0.13 Fe0.36 S4 Sn Zn0.61 -","- Ag1.87 Cd0.03 Cu0.13 Fe0.36 S4 Sn Zn0.61 -","- Ag3.74 Cd0.06 Cu0.26 Fe0.72 S8 Sn2 Zn1.22 -","2","0.25","BR2219","Schumer, Benjamin N.; Downs, Robert T.; Domanik, Kenneth J.; Andrade, Marcelo B.; Origlieri, Marcus J.","Pirquitasite, Ag~2~ZnSnS~4~","Acta Crystallographica Section E","2013","69","2","i8","i9","10.1107/S1600536813001013","","","0.71073","MoKα","","0.0276","0.0269","","","0.0692","0.0701","","","","","","1.172","","","","has coordinates,has Fobs","287703","2023-11-21","13:37:05",""
"2237278","7.5732","0.0013","10.3733","0.0016","18.673","0.002","90","","94.308","0.012","90","","1462.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichlorido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')mercury(II)","","- C14 H12 Cl2 Hg N2 -","- C14 H12 Cl2 Hg N2 -","- C56 H48 Cl8 Hg4 N8 -","4","1","BR2220","Warad, Ismail; Al-Noaimi, Mousa; Haddad, Salim F.; Othman, Rema","Dichlorido(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')mercury(II)","Acta Crystallographica Section E","2013","69","2","m109","","10.1107/S1600536813001086","","","0.71073","MoKα","","0.0753","0.0514","","","0.1079","0.1276","","","","","","0.992","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237279","6.296","0.0004","16.6389","0.0008","19.9475","0.0011","90","","90","","90","","2089.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>P</i>,<i>P</i>-Bis[4-(dimethylamino)phenyl]-<i>N</i>,<i>N</i>- bis(propan-2-yl)phosphinic amide","","- C22 H34 N3 O P -","- C22 H34 N3 O P -","- C88 H136 N12 O4 P4 -","4","1","BT6869","Evans, Stephen J.; Renison, C. Alicia; Williams, D. Bradley G.; Muller, Alfred","<i>P</i>,<i>P</i>-Bis[4-(dimethylamino)phenyl]-<i>N</i>,<i>N</i>-bis(propan-2-yl)phosphinic amide","Acta Crystallographica Section E","2013","69","2","o195","","10.1107/S1600536812050398","","","0.71073","MoKα","","0.0832","0.0502","","","","0.1098","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237280","9.4225","0.0012","9.9313","0.0012","11.3641","0.0015","90","","98.482","0.009","90","","1051.8","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Isopropyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<i>D</i>-glucopyranoside","","- C17 H26 O10 -","- C17 H26 O10 -","- C34 H52 O20 -","2","1","BT6870","Mönch, Bettina; Emmerling, Franziska; Kraus, Werner; Becker, Roland; Nehls, Irene","Isopropyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2013","69","2","o157","","10.1107/S1600536812051483","","","0.71073","MoKα","","0.0998","0.0582","","","0.1292","0.1505","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237281","7.0072","0.0011","15.215","0.003","19.579","0.003","90","","90","","90","","2087.4","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","<i>n</i>-Propyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<i>D</i>-glucopyranoside","(2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>R</i>)-2-(Acetoxymethyl)-6- propoxytetrahydro-2<i>H</i>-pyran-3,4,5-triyl triacetate","","- C17 H26 O10 -","- C17 H26 O10 -","- C68 H104 O40 -","4","1","BT6871","Mönch, Bettina; Emmerling, Franziska; Kraus, Werner; Becker, Roland; Nehls, Irene","<i>n</i>-Propyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside","Acta Crystallographica Section E","2013","69","2","o158","","10.1107/S1600536812051495","","","0.71073","MoKα","","0.0877","0.0441","","","0.1038","0.1216","","","","","","0.873","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237282","11.229","0.004","7.8561","0.0007","9.668","0.003","90","","94.79","0.017","90","","849.9","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,11-Dimethyl-6,12-dimethoxyindolo[3,2-<i>b</i>]carbazole","","- C22 H20 N2 O2 -","- C22 H20 N2 O2 -","- C44 H40 N4 O4 -","2","0.5","BT6882","Wrobel, Norma; Witulski, Bernhard; Schollmeyer, Dieter; Detert, Heiner","5,11-Dimethyl-6,12-dimethoxyindolo[3,2-<i>b</i>]carbazole","Acta Crystallographica Section E","2013","69","2","o255","","10.1107/S1600536813001463","","","1.54178","CuKα","","0.0563","0.0485","","","0.1443","0.1524","","","","","","1.104","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237283","8.8807","0.0006","11.628","0.0008","9.0596","0.0006","90","","107.665","0.002","90","","891.42","0.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-2,2,10,10-Tetrachloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","","- C17 H24 Cl4 -","- C17 H24 Cl4 -","- C34 H48 Cl8 -","2","1","BT6883","Ourhriss, Najia; Benharref, Ahmed; Saadi, Mohamed; El Ammari, Lahcen; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-2,2,10,10-Tetrachloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","Acta Crystallographica Section E","2013","69","2","o275","","10.1107/S1600536813001700","","","0.71073","MoKα","","0.0374","0.032","","","0.0813","0.0847","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237284","7.4916","0.0002","9.4321","0.0003","28.8093","0.0008","90","","95.8785","0.0015","90","","2025","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Aminoanthrachinone-Tetracyanchinodimethane","1-Aminoanthraquinone‒2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile (1/1)","","- C26 H13 N5 O2 -","- C26 H13 N5 O2 -","- C104 H52 N20 O8 -","4","1","BT6884","de Oliveira, Adriano Bof; Beck, Johannes; Daniels, Jörg; Santos, Jaciara Nascimento; Feitosa, Bárbara Regina Santos","The charge-transfer complex 1-aminoanthraquinone‒7,7',8,8'-tetracyanoquinodimethane (1/1)","Acta Crystallographica Section E","2013","69","2","o301","","10.1107/S1600536813002195","","","0.71073","MoKα","","0.1063","0.0519","","","0.1094","0.1351","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237285","13.899","0.003","8.9184","0.0019","7.5043","0.0016","90","","94.098","0.006","90","","927.8","0.3","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Hydroxy-3-methoxymethyl-5-methylbenzaldehyde","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","BT6886","Gunasekaran, B.; Jayamani, A.; Sengottuvelan, N.; Chakkaravarthi, G.","2-Hydroxy-3-methoxymethyl-5-methylbenzaldehyde","Acta Crystallographica Section E","2013","69","2","o317","","10.1107/S1600536813002845","","","0.71073","MoKα","","0.1203","0.0542","","","0.1331","0.1805","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237286","22.166","0.0004","12.7349","0.0002","23.3951","0.0004","90","","90","","90","","6604.01","0.19","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-4-(4-methylpiperazin-4-ium-1-yl)-10<i>H</i>- thieno[2,3-<i>b</i>][1,5]benzodiazepinium bis(2,4,6-trinitrophenolate)","","- C29 H26 N10 O14 S -","- C29 H26 N10 O14 S -","- C232 H208 N80 O112 S8 -","8","1","BV2217","Kavitha, C. N.; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Dayananda, A. S.","Olanzapinium dipicrate","Acta Crystallographica Section E","2013","69","2","o232","o233","10.1107/S1600536813000640","","","1.54184","CuKα","","0.0464","0.0383","","","0.1004","0.1066","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237287","15.4029","0.0004","18.7822","0.0004","6.1639","0.0002","90","","90","","90","","1783.22","0.08","120","0.5","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>meso</i>-4,4'-Difluoro-2,2'-{[(3a<i>R</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a- octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)}diphenol","","- C21 H24 F2 N2 O2 -","- C21 H24 F2 N2 O2 -","- C84 H96 F8 N8 O8 -","4","1","BX2435","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Kučeraková, Monika; Dušek, Michal","<i>meso</i>-4,4'-Difluoro-2,2'-{[(3a<i>R</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-1,3-benzimidazole-1,3-diyl]bis(methylene)}diphenol","Acta Crystallographica Section E","2013","69","2","o217","","10.1107/S1600536813000305","","","1.5418","CuKα","","0.0328","0.0302","","","0.0753","0.0773","","","","","","1.42","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237288","3.8645","0.0002","26.345","0.002","7.8961","0.0004","90","","92.509","0.001","90","","803.13","0.08","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Nitro-1,3-benzothiazole-2(3<i>H</i>)-thione","","- C7 H4 N2 O2 S2 -","- C7 H4 N2 O2 S2 -","- C28 H16 N8 O8 S8 -","4","1","CV5367","Qiu, Qi-Ming; Cui, Yang-Zhe; Zhao, Yin-Hua; Jin, Qiong-Hua; Zhang, Cun-Lin","6-Nitro-1,3-benzothiazole-2(3<i>H</i>)-thione","Acta Crystallographica Section E","2013","69","2","o171","","10.1107/S1600536812049719","","","0.71073","MoKα","","0.0795","0.0627","","","0.1531","0.1649","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237289","12.561","0.0011","15.9118","0.0013","13.0221","0.0008","90","","103.207","0.003","90","","2533.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4,6,8-Tetrakis(2-fluorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one","","- C31 H24 F4 N2 O -","- C31 H24 F4 N2 O -","- C124 H96 F16 N8 O4 -","4","1","CV5368","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","2,4,6,8-Tetrakis(2-fluorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2013","69","2","o179","","10.1107/S1600536812051574","","","0.71073","MoKα","","0.0849","0.0528","","","0.1408","0.1628","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237290","11.521","0.002","19.372","0.004","11.854","0.002","90","","93.61","0.03","90","","2640.4","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloridodi-μ~2~-hydroxido-di-μ~3~-oxido-octaphenyltetratin(IV) dimethyl sulfoxide disolvate","","- C52 H54 Cl2 O6 S2 Sn4 -","- C52 H54 Cl2 O6 S2 Sn4 -","- C104 H108 Cl4 O12 S4 Sn8 -","2","0.5","CV5369","Foladi, Shahrbano; Khazaei, Parivash; Attar Gharamaleki, Jafar; Notash, Behrouz; Rofouei, Mohammad Kazem","Dichloridodi-μ~2~-hydroxido-di-μ~3~-oxido-octaphenyltetratin(IV) dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2013","69","2","m91","","10.1107/S1600536812051744","","","0.71073","MoKα","","0.0397","0.0304","","","0.0757","0.0789","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237291","9.4408","0.0003","17.9636","0.0005","13.9415","0.0004","90","","99.247","0.004","90","","2333.62","0.12","100","","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(2<i>H</i>-Indazol-2-yl)-1-phenylethanone","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C120 H96 N16 O8 -","8","2","CV5372","Özel Güven, Özden; Türk, Gökhan; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer","2-(2<i>H</i>-Indazol-2-yl)-1-phenylethanone","Acta Crystallographica Section E","2013","69","2","o184","","10.1107/S1600536812051811","","","0.71073","MoKα","","0.1072","0.0565","","","0.1126","0.1286","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237292","10.0432","0.0004","10.4646","0.0004","13.9932","0.0006","105.422","0.004","105.982","0.004","96.407","0.004","1335.53","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","","- C32 H28 F2 N2 O2 -","- C32 H28 F2 N2 O2 -","- C64 H56 F4 N4 O4 -","2","1","CV5374","Anthal, Sumati; Brahmachari, Goutam; Das, Suvankar; Kant, Rajni; Gupta, Vivek K.","Ethyl 4-anilino-2,6-bis(4-fluorophenyl)-1-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2013","69","2","o299","o300","10.1107/S1600536813002158","","","0.71073","MoKα","","0.099","0.0564","","","0.1401","0.1666","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237293","9.885","0.002","12.948","0.003","13.6","0.003","101.761","0.002","102.539","0.002","92.004","0.002","1657.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3,3',5,5'-Tetra-<i>tert</i>-butyl-2'-hydroxy-[1,1'-biphenyl]-2-yl 4-methylbenzenesulfonate","","- C35 H48 O4 S -","- C35 H48 O4 S -","- C70 H96 O8 S2 -","2","1","CV5377","Jian, Chunli; Zhang, Jinjin; Wang, Lei; Tang, Ning; Wu, Jincai","3,3',5,5'-Tetra-<i>tert</i>-butyl-2'-hydroxy-[1,1'-biphenyl]-2-yl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2013","69","2","o186","","10.1107/S1600536812051938","","","0.71073","MoKα","","0.171","0.0742","","","0.1628","0.2048","","","","","","0.988","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237294","9.6864","0.0005","15.5706","0.0008","9.746","0.0006","90","","109.221","0.007","90","","1387.98","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1<i>S</i>,3a<i>S</i>,4<i>S</i>,7a<i>S</i>)-Ethyl 1-benzyl-2-(4-methoxybenzyl)-6,7-dimethyl-3-oxo-2,3,3a,4,5,7a-hexahydro-1<i>H</i>-isoindole-4-carboxylate dichloromethane monosolvate","","- C29 H35 Cl2 N O4 -","- C29 H35 Cl2 N O4 -","- C58 H70 Cl4 N2 O8 -","2","1","CV5380","Lin, Benguo; Wu, Jin-Long","(1<i>S</i>,3a<i>S</i>,4<i>S</i>,7a<i>S</i>)-Ethyl 1-benzyl-2-(4-methoxybenzyl)-6,7-dimethyl-3-oxo-2,3,3a,4,5,7a-hexahydro-1<i>H</i>-isoindole-4-carboxylate dichloromethane monosolvate","Acta Crystallographica Section E","2013","69","2","o316","","10.1107/S1600536813002560","","","0.71073","MoKα","","0.0659","0.0476","","","0.1088","0.127","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237295","8.1594","0.0015","12.728","0.002","8.7663","0.0016","90","","99.395","0.003","90","","898.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-diaminopyrimidine acetone monosolvate","Pyrimidine-2,4-diamine acetone monosolvate","","- C7 H12 N4 O -","- C7 H12 N4 O -","- C28 H48 N16 O4 -","4","1","CV5381","Draguta, Sergiu; Sandhu, Bhupinder; Khrustalev, Victor N.; Fonari, Marina S.; Timofeeva, Tatiana V.","Pyrimidine-2,4-diamine acetone monosolvate","Acta Crystallographica Section E","2013","69","2","o251","","10.1107/S1600536813001025","","","0.71073","MoKα","","0.0602","0.0478","","","0.1325","0.139","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237296","12.107","0.004","16.945","0.005","27.37","0.009","90","","90","","90","","5615","3","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(4<i>R</i>*,4a<i>R</i>*,7a<i>S</i>*)-5-Oxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4<i>H</i>-furo[2,3-<i>f</i>]isoindole-4-carboxylic acid","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C272 H240 N16 O64 -","16","2","CV5382","Horak, Yuriy I.; Lytvyn, Roman Z.; Zubkov, Fedor I.; Nikitina, Eugeniya V.; Homza, Yuriy V.; Lis, Tadeusz; Kinzhybalo, Vasyl; Obushak, Mykola D.","(4<i>R</i>*,4a<i>R</i>*,7a<i>S</i>*)-5-Oxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-4<i>H</i>-furo[2,3-<i>f</i>]isoindole-4-carboxylic acid","Acta Crystallographica Section E","2013","69","2","o273","o274","10.1107/S160053681300144X","","","0.71073","MoKα","","0.0658","0.044","","","0.1192","0.1272","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237297","13.5019","0.0011","12.5743","0.001","17.7314","0.001","90","","125.575","0.004","90","","2448.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaqua(5-carboxybenzene-1,3-dicarboxylato-κ<i>O</i>^1^)[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-<i>d</i>]pyrimidine-6-carboxylato-κ^2^<i>O</i>^5^,<i>O</i>^6^]zinc monohydrate","","- C23 H27 N5 O12 Zn -","- C23 H27 N5 O12 Zn -","- C92 H108 N20 O48 Zn4 -","4","1","CV5383","Ye, Zhong-Li; Xin, Guang-Hua; Zhang, Fu-Tian; Xiao, Dong-Rong","Diaqua(5-carboxybenzene-1,3-dicarboxylato-κ<i>O</i>^1^)[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydropyrido[2,3-<i>d</i>]pyrimidine-6-carboxylato-κ^2^<i>O</i>^5^,<i>O</i>^6^]zinc monohydrate","Acta Crystallographica Section E","2013","69","2","m127","","10.1107/S1600536813002122","","","0.71073","MoKα","","0.031","0.0276","","","0.1012","0.1048","","","","","","0.862","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237298","7.9206","0.0002","9.46","0.0003","20.0915","0.0006","90","","94.505","0.003","90","","1500.78","0.08","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Methyl 2-bromo-3-(4-chlorobenzenesulfonamido)benzoate","","- C14 H11 Br Cl N O4 S -","- C14 H11 Br Cl N O4 S -","- C56 H44 Br4 Cl4 N4 O16 S4 -","4","1","DS2221","Ghafoor, Ahmad Z.; Chang, Brian; King, Christopher L.; Butcher, Ray J.; Kulkarni, Amol A.","Methyl 2-bromo-3-(4-chlorobenzenesulfonamido)benzoate","Acta Crystallographica Section E","2013","69","2","o311","","10.1107/S1600536812048581","","","1.54184","CuKα","","0.0359","0.0341","","","0.0913","0.0928","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237299","8.6243","0.0009","7.3203","0.0006","10.1704","0.0009","90","","91.719","0.008","90","","641.79","0.1","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","","(6<i>R</i>*,10<i>R</i>*)-Dimethyl 1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate","","- C12 H18 O6 -","- C12 H18 O6 -","- C24 H36 O12 -","2","1","DS2225","Jahangiri, Amita; Wendt, Ola F.; Strand, Daniel","(6<i>R</i>*,10<i>R</i>*)-Dimethyl 1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate","Acta Crystallographica Section E","2013","69","2","o265","","10.1107/S160053681300161X","","","0.71073","MoKα","","0.056","0.0471","","","0.136","0.1482","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237300","12.827","0.004","7.4997","0.0018","15.486","0.004","90","","113.906","0.004","90","","1361.9","0.6","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,4-Dinitrophenyl)-2,4-dinitroaniline","","- C12 H7 N5 O8 -","- C12 H7 N5 O8 -","- C48 H28 N20 O32 -","4","1","FF2093","Tokutome, Yui; Okuno, Tsunehisa","A second monoclinic polymorph of <i>N</i>-(2,4-dinitrophenyl)-2,4-dinitroaniline","Acta Crystallographica Section E","2013","69","2","o152","","10.1107/S1600536812051288","","","0.71075","MoKα","","","0.0379","","","","0.1053","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237301","11.6168","0.0004","12.7385","0.0005","21.2429","0.0008","90","","90","","90","","3143.5","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(1<i>SR</i>,3<i>RS</i>,3a<i>SR</i>,6a<i>RS</i>)-Methyl 5-methyl-4,6-dioxo-3-[2-(trifluoromethyl)phenyl]octahydropyrrolo[3,4- <i>c</i>]pyrrole-1-carboxylate","","- C16 H15 F3 N2 O4 -","- C16 H15 F3 N2 O4 -","- C128 H120 F24 N16 O32 -","8","1","FF2094","Kudryavtsev, Konstantin V.; Ivantcova, Polina M.; Churakov, Andrei V.","(1<i>SR</i>,3<i>RS</i>,3a<i>SR</i>,6a<i>RS</i>)-Methyl 5-methyl-4,6-dioxo-3-[2-(trifluoromethyl)phenyl]octahydropyrrolo[3,4-<i>c</i>]pyrrole-1-carboxylate","Acta Crystallographica Section E","2013","69","2","o161","o162","10.1107/S1600536812051471","","","0.71073","MoKα","","0.0522","0.0412","","","0.1074","0.1153","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237302","8.4152","0.0007","19.2403","0.0015","8.4105","0.0007","90","","114.21","0.001","90","","1241.98","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(1<i>H</i>-Imidazol-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole","","- C13 H8 F3 N3 S -","- C13 H8 F3 N3 S -","- C52 H32 F12 N12 S4 -","4","1","FF2095","Kudryavtsev, Konstantin V.; Churakov, Andrei V.; Guh, Jih-Hwa","2-(1<i>H</i>-Imidazol-1-yl)-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole","Acta Crystallographica Section E","2013","69","2","o238","","10.1107/S1600536813000615","","","0.71073","MoKα","","0.0534","0.0408","","","0.0958","0.1027","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237303","7.3731","0.0005","8.9408","0.0019","16.9936","0.0008","90","","91.892","0.004","90","","1119.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Benzyl-4-ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C11 H13 N3 S -","- C11 H13 N3 S -","- C44 H52 N12 S4 -","4","1","FY2077","Karczmarzyk, Zbigniew; Pitucha, Monika; Wysocki, Waldemar; Pachuta-Stec, Anna; Stańczuk, Andrzej","3-Benzyl-4-ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2013","69","2","o155","o156","10.1107/S1600536812051276","","","0.71073","MoKα","","0.1854","0.0474","","","0.1109","0.1559","","","","","","0.981","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237304","6.1787","0.0002","8.2696","0.0002","12.3665","0.0004","90","","101.632","0.002","90","","618.89","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-Hydroxy-1-methyl-3-phenylquinolin-2(1<i>H</i>)-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","FY2079","Kafka, Stanislav; Pevec, Andrej; Proisl, Karel; Kimmel, Roman; Košmrlj, Janez","4-Hydroxy-1-methyl-3-phenylquinolin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2013","69","2","o231","","10.1107/S1600536813000226","","","0.71073","MoKα","","0.0503","0.0393","","","0.0942","0.1023","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237305","6.2134","0.0009","8.2415","0.0009","9.628","0.0011","77.54","0.01","83.364","0.011","73.081","0.012","459.84","0.1","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2-(Acetoxymethyl)benzoic acid","","- C10 H10 O4 -","- C10 H10 O4 -","- C20 H20 O8 -","2","1","FY2082","Gainsford, Graeme J.; Schwörer, Ralf","2-(Acetoxymethyl)benzoic acid","Acta Crystallographica Section E","2013","69","2","o259","","10.1107/S1600536813000780","","","1.54184","CuKα","","0.0336","0.0325","","","0.0918","0.0933","","","","","","1.078","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237306","8.4276","0.0002","13.0126","0.0003","14.2522","0.0004","79.968","0.002","79.794","0.002","83.505","0.002","1509.25","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-Methyl-1-tosyl-1<i>H</i>-indole-2-carbaldehyde","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C68 H60 N4 O12 S4 -","4","2","FY2083","Pradeep, Priyamvada; Khorasani, Sanaz; de Koning, Charles B.; Fernandes, Manuel A.","3-Methyl-1-tosyl-1<i>H</i>-indole-2-carbaldehyde","Acta Crystallographica Section E","2013","69","2","o219","","10.1107/S160053681205180X","","","0.71073","MoKα","","0.0969","0.049","","","0.1087","0.126","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237307","16.3922","0.001","5.7201","0.0002","17.7632","0.001","90","","106.284","0.005","90","","1598.75","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{(<i>Z</i>)-[2-Methoxy-5-(trifluoromethyl)anilino]methylidene}naphthalen- 2(1<i>H</i>)-one","","- C19 H14 F3 N O2 -","- C19 H14 F3 N O2 -","- C76 H56 F12 N4 O8 -","4","1","FY2084","Kargılı, Hakan; Alaman Ağar, Ayşen; Alpaslan, Gökhan; Büyükgüngör, Orhan; Erdönmez, Ahmet","1-{(<i>Z</i>)-[2-Methoxy-5-(trifluoromethyl)anilino]methylidene}naphthalen-2(1<i>H</i>)-one","Acta Crystallographica Section E","2013","69","2","o163","","10.1107/S1600536812051410","","","0.71073","MoKα","","0.1122","0.048","","","0.0812","0.0969","","","","","","0.948","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237308","6.738","0.0002","13.431","0.0004","10.4563","0.0003","90","","103.094","0.003","90","","921.67","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-Amino-4-(2-phenylhydrazinylidene)-1<i>H</i>- pyrazol-5(4<i>H</i>)-one","","- C9 H9 N5 O -","- C9 H9 N5 O -","- C36 H36 N20 O4 -","4","1","GG2105","Elgemeie, Galal H.; Sayed, Shahinaz H.; Jones, Peter G.","(<i>E</i>)-3-Amino-4-(2-phenylhydrazinylidene)-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2013","69","2","o187","","10.1107/S1600536812050854","","","1.54184","CuKα","","0.0338","0.0323","","","0.0858","0.0873","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237309","14.2945","0.0004","8.0115","0.0003","19.0962","0.0005","90","","90","","90","","2186.9","0.12","200","1","200","1","","","","","","","","5","P n a 21","P 2c -2n","33","sulfamethazine 2-nitrobenzoic acid (1:1)","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒ 2-nitrobenzoic acid (1/1)","","- C19 H19 N5 O6 S -","- C19 H19 N5 O6 S -","- C76 H76 N20 O24 S4 -","4","1","GG2106","Smith, Graham; Wermuth, Urs D.","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒2-nitrobenzoic acid (1/1)","Acta Crystallographica Section E","2013","69","2","o234","","10.1107/S1600536813000779","","","0.71073","MoKα","","0.0439","0.04","","","0.0973","0.0994","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237310","16.261","0.01","7.71","0.004","17.483","0.01","90","","106.131","0.012","90","","2106","2","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2-Dimethyl-2,3-dihydro-1<i>H</i>-perimidine","","- C13 H14 N2 -","- C13 H14 N2 -","- C104 H112 N16 -","8","2","GG2107","Maloney, Sarah; Slawin, Alexandra M. Z.; Woollins, J. Derek","2,2-Dimethyl-2,3-dihydro-1<i>H</i>-perimidine","Acta Crystallographica Section E","2013","69","2","o246","","10.1107/S1600536813000986","","","0.71075","MoKα","","","0.0557","","","","0.1332","","","","","","0.961","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237311","10.0275","0.0005","11.1058","0.0006","13.2938","0.0008","107.797","0.005","103.896","0.005","90.435","0.004","1363.08","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Desoxyhemigossypol 6-methyl ether","6-Methoxy-10-methyl-7-(propan-2-yl)-2-oxatricyclo[6.3.1.0^4,12^]dodeca-1(11),4,6,8(12),9-pentaen-5-ol","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","2","GK2530","Uzbekov, Vyacheslav V.; Talipov, Samat A.; Ibragimov, Bakhtiyar T.; Stipanovic, Robert D.; Liu, Jinggao","Desoxyhemigossypol 6-methyl ether","Acta Crystallographica Section E","2013","69","2","o302","","10.1107/S1600536813002304","","","1.54184","CuKα","","0.0729","0.0499","","","0.143","0.1579","","","","","","1.04","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237312","10.7824","0.0002","10.627","0.0002","11.2364","0.0002","90","","91.678","0.001","90","","1286.97","0.04","200","2","200","2","","","","","","","","5","P 1 c 1","P -2yc","7","Flunarizinium succinate","4-[Bis(4-fluorophenyl)methyl]-1-[(2<i>E</i>)-3-phenylprop-2-en-1- yl]piperazin-1-ium 3-carboxypropanoate","","- C30 H32 F2 N2 O4 -","- C30 H32 F2 N2 O4 -","- C60 H64 F4 N4 O8 -","2","1","GK2534","Kavitha, Channappa N.; Yathirajan, Hemmige S.; Narayana, Badiadka; Gerber, Thomas; van Brecht, Benjamin; Betz, Richard","4-[Bis(4-fluorophenyl)methyl]-1-[(2<i>E</i>)-3-phenylprop-2-en-1-yl]piperazin-1-ium 3-carboxypropanoate","Acta Crystallographica Section E","2013","69","2","o260","o261","10.1107/S1600536813000706","","","0.71073","MoKα","","0.0297","0.0288","","","0.0794","0.0805","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237313","11.537","0.002","7.0093","0.0014","11.632","0.002","90","","106.57","0.03","90","","901.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","<i>N</i>-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)acetamide‒ pyrrolidine-2,5-dione (1/1)","","- C16 H16 Br2 N4 O3 -","- C16 H16 Br2 N4 O3 -","- C32 H32 Br4 N8 O6 -","2","0.5","GK2541","Gou, Gao-Zhang; Kou, Jun-Feng; Zhou, Qing-Di; Chi, Shao-Ming","<i>N</i>-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)acetamide‒pyrrolidine-2,5-dione (1/1)","Acta Crystallographica Section E","2013","69","2","o153","o154","10.1107/S1600536812051112","","","0.71073","MoKα","","0.0763","0.0507","","","0.1307","0.1642","","","","","","1.119","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237314","9.548","0.0005","9.548","0.0005","21.957","0.0009","90","","90","","90","","2001.69","0.17","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","5-amino-3-picolinamido-1H-1,2,4-triazole","<i>N</i>-(5-Amino-1<i>H</i>-1,2,4-triazol-3-yl)pyridine-2-carboxamide","","- C8 H8 N6 O -","- C8 H8 N6 O -","- C64 H64 N48 O8 -","8","1","GK2547","Hernández-Gil, Javier; Ferrer, Sacramento; Ballesteros, Rafael; Castiñeiras, Alfonso","<i>N</i>-(5-Amino-1<i>H</i>-1,2,4-triazol-3-yl)pyridine-2-carboxamide","Acta Crystallographica Section E","2013","69","2","o227","o228","10.1107/S1600536813000123","","","0.71073","MoKα","","0.0715","0.0384","","","0.0896","0.1068","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237315","9.5044","0.0003","9.8389","0.0003","12.1473","0.0004","72.036","0.001","77.024","0.001","62.384","0.001","952.95","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","1-Tosyl-4-[2-(trifluoromethyl)benzyl]piperazine","1-(4-Methylphenylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine","","- C19 H21 F3 N2 O2 S -","- C19 H21 F3 N2 O2 S -","- C38 H42 F6 N4 O4 S2 -","2","1","GK2548","Sreenivasa, S.; Anitha, H. C.; ManojKumar, K. E.; Tonannavar, J.; Jayashree, Yenagi; Suchetan, P. A.; Palakshamurthy, B. S.","1-Tosyl-4-[2-(trifluoromethyl)benzyl]piperazine","Acta Crystallographica Section E","2013","69","2","o239","","10.1107/S1600536813000317","","","0.71073","MoKα","","0.0467","0.0419","","","0.1154","0.1187","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237316","12.7911","0.0005","8.1862","0.0003","13.7325","0.0005","90","","98.85","0.004","90","","1420.82","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Benzoyl-4-(4-fluorophenyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","","- C17 H13 F N2 O2 -","- C17 H13 F N2 O2 -","- C68 H52 F4 N8 O8 -","4","1","GK2549","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Deshmukh, Madhukar B.","5-Benzoyl-4-(4-fluorophenyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2013","69","2","o196","","10.1107/S1600536812052105","","","0.71073","MoKα","","0.0806","0.0483","","","0.1144","0.1306","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237317","7.0026","0.0005","7.9939","0.0006","14.8033","0.0011","75.433","0.004","86.642","0.004","78.355","0.004","785.49","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(6-Methoxy-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate","","- C16 H17 N O4 S2 -","- C16 H17 N O4 S2 -","- C32 H34 N2 O8 S4 -","2","1","GW2129","Devarajegowda, H. C.; Kumar, K. Mahesh; Seenivasa, S.; Arunkashi, H. K.; Kotresh, O.","(6-Methoxy-2-oxo-2<i>H</i>-chromen-4-yl)methyl morpholine-4-carbodithioate","Acta Crystallographica Section E","2013","69","2","o192","","10.1107/S1600536812051847","","","0.71073","MoKα","","0.03","0.027","","","0.0714","0.0733","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237318","41.253","0.008","15.057","0.003","20.809","0.004","90","","106.106","0.002","90","","12418","4","105","2","105","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Acetonitrile){2-[bis(pyridin-2-ylmethyl-κ^2^<i>N</i>)amino-κ<i>N</i>]- <i>N</i>-(2,6-dimethylphenyl)acetamide-κ<i>O</i>}(perchlorato-κ<i>O</i>)zinc (acetonitrile){2-[bis(pyridin-2-ylmethyl-κ^2^<i>N</i>)amino-κ<i>N</i>]- <i>N</i>-(2,6-dimethylphenyl)acetamide-κ<i>O</i>}zinc tris(perchlorate)","","- C48 H54 Cl4 N10 O18 Zn2 -","- C48 H54 Cl4 N10 O18 Zn2 -","- C384 H432 Cl32 N80 O144 Zn16 -","8","1","HB6972","Åstrand, Ove Alexander Høgmoen; Görbitz, Carl Henrik; Kristoffersen, Kenneth Aase; Rongved, Pål","(Acetonitrile){2-[bis(pyridin-2-ylmethyl-κ^2^<i>N</i>)amino-κ<i>N</i>]-<i>N</i>-(2,6-dimethylphenyl)acetamide-κ<i>O</i>}(perchlorato-κ<i>O</i>)zinc (acetonitrile){2-[bis(pyridin-2-ylmethyl-κ^2^<i>N</i>)amino-κ<i>N</i>]-<i>N</i>-(2,6-dimethylphenyl)acetamide-κ<i>O</i>}zinc tris(perchlorate)","Acta Crystallographica Section E","2013","69","2","m112","m113","10.1107/S1600536813001396","","","0.71073","MoKα","","0.0601","0.0448","","","0.1166","0.1241","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237319","9.184","0.003","6.737","0.004","17.066","0.002","97.61","0.02","91.39","0.04","85.72","0.03","1043.6","0.7","296","","296","","","","","","","","","5","P -1","-P 1","2","","Bis(4-methoxybenzylammonium) dihydrogen diphosphate","","- C16 H26 N2 O9 P2 -","- C16 H26 N2 O9 P2 -","- C32 H52 N4 O18 P4 -","2","1","HB7003","Elboulali, Adel; Akriche, Samah; Al-Deyab, Salem S.; Rzaigui, Mohamed","Bis(4-methoxybenzylammonium) dihydrogen diphosphate","Acta Crystallographica Section E","2013","69","2","o213","o214","10.1107/S1600536812051616","","","0.56087","AgKα","","0.1322","0.0547","","","0.12","0.1425","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237320","13.2569","0.0002","10.5045","0.0002","12.2039","0.0002","90","","116.012","0.0009","90","","1527.32","0.05","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>endo</i>,<i>endo</i>-Tetracyclo[6.2.1.1^3,6^.0^2,7^]dodeca- 9-en-<i>anti</i>-11-yl 4-bromobenzoate","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","HB7005","Lloyd, Barry A.; Arif, Atta M.; Coots, Robert J.","<i>endo</i>,<i>endo</i>-Tetracyclo[6.2.1.1^3,6^.0^2,7^]dodeca-9-en-<i>anti</i>-11-yl 4-bromobenzoate","Acta Crystallographica Section E","2013","69","2","o202","o203","10.1107/S1600536812051902","","","0.71073","MoKα","","0.0452","0.0276","","","0.0577","0.0632","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237321","8.9577","0.0004","12.015","0.0005","4.9079","0.0002","90","","100.505","0.002","90","","519.37","0.04","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","penikisite","Barium dimagnesium dialuminium triphosphate trihydroxide","","- Al2 Ba H3 Mg1.97 Mn0.03 O15 P3 -","- Al2 Ba H3 Mg1.97 Mn0.03 O15 P3 -","- Al4 Ba2 H6 Mg3.94 Mn0.06 O30 P6 -","2","0.5","HB7009","Bowman, Michael G.; Downs, Robert T.; Yang, Hexiong","Penikisite, BaMg~2~Al~2~(PO~4~)~3~(OH)~3~, isostructural with bjarebyite","Acta Crystallographica Section E","2013","69","2","i4","i5","10.1107/S1600536812051793","","","0.71073","MoKα","","0.0155","0.015","","","0.0387","0.0389","","","","","","1.137","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237322","9.7732","0.0014","12.2671","0.0016","15.257","0.002","90","","106.836","0.005","90","","1750.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[5-(2-Fluorophenyl)-3-isobutyl-1<i>H</i>-pyrazol-1-yl]benzoic acid","","- C20 H19 F N2 O2 -","- C20 H19 F N2 O2 -","- C80 H76 F4 N8 O8 -","4","1","HB7011","Sreenivasa, S.; Manojkumar, K. E.; Suchetan, P. A.; Mohan, N. R.; Kumar, Vijith; Palakshamurthy, B. S.","2-[5-(2-Fluorophenyl)-3-isobutyl-1<i>H</i>-pyrazol-1-yl]benzoic acid","Acta Crystallographica Section E","2013","69","2","o176","","10.1107/S1600536812050702","","","0.71073","MoKα","","0.0521","0.0405","","","0.1079","0.1143","","","","","","0.981","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237323","9.3195","0.0019","13.899","0.003","21.962","0.004","90","","94.92","0.03","90","","2834.3","1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tetrabromo[4-(triphenylphosphanyloxy)butyl]tellurium acetonitrile monosolvate","","- C24 H26 Br4 N O P Te -","- C24 H26 Br4 N O P Te -","- C96 H104 Br16 N4 O4 P4 Te4 -","4","1","HB7012","Närhi, Sari M.; Oilunkaniemi, Raija; Laitinen, Risto S.","Tetrabromido[4-(triphenylphosphanyloxy)butyl]tellurium acetonitrile monosolvate","Acta Crystallographica Section E","2013","69","2","m88","","10.1107/S1600536812051707","","","0.71073","MoKα","","0.066","0.048","","","0.1162","0.1345","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237324","13.4466","0.0002","10.6921","0.0002","27.2057","0.0005","90","","90","","90","","3911.43","0.12","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Benzyl-3-hydroxy-3-(2-imino-3-methyl-5-oxoimidazolidin-4-yl)- 2,3-dihydro-1<i>H</i>-indol-2-one","","- C19 H18 N4 O3 -","- C19 H18 N4 O3 -","- C152 H144 N32 O24 -","8","1","HB7013","Penthala, Narsimha Reddy; Crooks, Peter A.","<i>rac</i>-<i>N</i>-Benzylisatincreatinine (unknown solvate)","Acta Crystallographica Section E","2013","69","2","o290","o291","10.1107/S1600536813000378","","","1.54178","CuKα","","0.04","0.0378","","","0.1023","0.1039","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237325","9.3097","0.0003","24.8252","0.0007","9.6761","0.0003","90","","112.322","0.001","90","","2068.71","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-{5-Ethoxycarbonyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1<i>H</i>- benzimidazol-2-yl}benzoic acid","","- C24 H25 N3 O5 -","- C24 H25 N3 O5 -","- C96 H100 N12 O20 -","4","1","HB7017","Yoon, Yeong Keng; Ali, Mohamed Ashraf; Tan, Soo Choon; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul","3-{5-Ethoxycarbonyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1<i>H</i>-benzimidazol-2-yl}benzoic acid","Acta Crystallographica Section E","2013","69","2","o304","","10.1107/S1600536813001116","","","0.71073","MoKα","","0.119","0.0643","","","0.1138","0.1337","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237326","7.3108","0.0004","11.1545","0.0006","15.9752","0.001","90","","100.921","0.004","90","","1279.16","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-bromonaphtho[2,1-<i>b</i>]furan-2-carboxylate","","- C15 H11 Br O3 -","- C15 H11 Br O3 -","- C60 H44 Br4 O12 -","4","1","HB7019","Shet Prakash, M.; Suchetan, P. A.; Mahadevan, K. M.; Vaidya, V. P.; Velumurgan, D.; Palakshamurthy, B. S.","Ethyl 5-bromonaphtho[2,1-<i>b</i>]furan-2-carboxylate","Acta Crystallographica Section E","2013","69","2","o198","","10.1107/S160053681205204X","","","0.71073","MoKα","","0.0639","0.0452","","","0.1217","0.1272","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237327","8.0694","0.0002","15.2168","0.0004","14.0996","0.0003","90","","92.505","0.002","90","","1729.64","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(Naphthalene-2-sulfonamido)-3-phenylpropanoic acid","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C76 H68 N4 O16 S4 -","4","1","HB7020","Mubashar-ur-Rehman, Hafiz; Arshad, Muhammad Nadeem; Asiri, Abdullah M.; Khan, Islam Ullah; Bilal, Muhammad","2-(Naphthalene-2-sulfonamido)-3-phenylpropanoic acid","Acta Crystallographica Section E","2013","69","2","o194","","10.1107/S1600536813000081","","","1.54184","CuKα","","0.0529","0.0414","","","0.1076","0.1183","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237328","30.412","0.006","6.9325","0.0015","14.936","0.003","90","","111.737","0.008","90","","2925.1","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 2,4-dihydroxy-5-(4-nitrobenzamido)benzoate","","- C15 H12 N2 O7 -","- C15 H12 N2 O7 -","- C120 H96 N16 O56 -","8","1","HB7022","Naz, Syeda Sohaila; Islam, Nazar Ul; Tahir, M. Nawaz; Shah, Muhammad Raza","Methyl 2,4-dihydroxy-5-(4-nitrobenzamido)benzoate","Acta Crystallographica Section E","2013","69","2","o207","","10.1107/S160053681300024X","","","0.71073","MoKα","","0.123","0.0517","","","0.1052","0.1338","","","","","","0.976","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237329","22.732","0.004","8.2338","0.0016","14.743","0.003","90","","113.506","0.009","90","","2530.5","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Methyl 2,4-dihydroxy-5-(2-methylpropanamido)benzoate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C96 H120 N8 O40 -","8","1","HB7024","Naz, Syeda Sohaila; Islam, Nazar Ul; Tahir, M. Nawaz; Shah, Muhammad Raza","Methyl 2,4-dihydroxy-5-(2-methylpropanamido)benzoate","Acta Crystallographica Section E","2013","69","2","o221","","10.1107/S1600536813000457","","","0.71073","MoKα","","0.1754","0.0649","","","0.1249","0.1677","","","","","","0.963","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2237330","9.652","0.003","10.252","0.004","11.121","0.004","87.214","0.01","86.358","0.01","84.348","0.011","1091.9","0.7","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","4'-Cyanobiphenyl-4-yl 7-diethylamino-2-oxo-2<i>H</i>-chromene-3-carboxylate","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C54 H44 N4 O8 -","2","1","HB7027","Sreenivasa, S.; Srinivasa, H. T.; Palakshamurthy, B. S.; Kumar, Vijith; Devarajegowda, H. C.","4'-Cyanobiphenyl-4-yl 7-diethylamino-2-oxo-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2013","69","2","o266","","10.1107/S1600536813001591","","","0.71073","MoKα","","0.0911","0.0575","","","0.1546","0.1734","","","","","","0.972","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237331","6.4116","0.0006","7.7751","0.0007","13.0423","0.0012","80.136","0.001","80.413","0.001","73.231","0.001","608.57","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-4-methylpyrimidin-1-ium) hexaaquacobalt(II) disulfate dihydrate","","- C10 H32 Co N6 O16 S2 -","- C10 H32 Co N6 O16 S2 -","- C10 H32 Co N6 O16 S2 -","1","0.5","HB7029","Mirzaei, M.; Eshtiagh-Hosseini, H.; Zarghami, S.; Karrabi, Z.; Saeedi, M.; Mague, J. T.","Bis(2-amino-4-methylpyrimidin-1-ium) hexaaquacobalt(II) disulfate dihydrate","Acta Crystallographica Section E","2013","69","2","m128","","10.1107/S1600536813002146","","","0.71073","MoKα","","0.0273","0.0263","","","0.072","0.0729","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237332","14.87","0.004","14.233","0.003","9.245","0.002","90","","103.693","0.004","90","","1901","0.8","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,3-Bis[(<i>tert</i>-butylsulfanyl)methyl]-2,4,6-trimethylbenzene","","- C19 H32 S2 -","- C19 H32 S2 -","- C76 H128 S8 -","4","0.5","HB7031","Paz-Morales, Evelyn; Basauri-Molina, Manuel; Germán-Acacio, Juan Manuel; Reyes-Martínez, Reyna; Morales-Morales, David","1,3-Bis[(<i>tert</i>-butylsulfanyl)methyl]-2,4,6-trimethylbenzene","Acta Crystallographica Section E","2013","69","2","o306","","10.1107/S1600536813002249","","","0.71073","MoKα","","0.1014","0.0552","","","0.1267","0.1425","","","","","","0.927","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237333","30.414","0.004","5.453","0.003","20.661","0.005","90","","118.568","0.003","90","","3009.4","1.9","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3-(3,4-Dimethoxybenzyl)chroman-4-one","","- C18 H18 O4 -","- C18 H18 O4 -","- C144 H144 O32 -","8","1","HG5275","Shalini, S.; Girija, C. R.; Simon, Lalitha; Srinivasan, K. K.; Venkatesha, T. V.; Jotani, M. M.","3-(3,4-Dimethoxybenzyl)chroman-4-one","Acta Crystallographica Section E","2013","69","2","o241","","10.1107/S1600536813000925","","","0.71073","MoKα","","0.0695","0.0453","","","","0.1419","","","","","","1.025","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237334","7.8384","0.0016","24.553","0.005","10.936","0.002","90","","99.54","0.03","90","","2075.6","0.7","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzyl-5-bromo-3-hydroxy-3-(2-imino-3-methyl-5-oxoimidazolidin-4-yl)- 2,3-dihydro-1<i>H</i>-indol-2-one ethanol monosolvate","","- C21 H23 Br N4 O4 -","- C21 H23 Br N4 O4 -","- C84 H92 Br4 N16 O16 -","4","1","HG5279","Penthala, Narsimha Reddy; Crooks, Peter A.","<i>rac</i>-5-Bromo-<i>N</i>-benzylisatincreatinine ethanol monosolvate","Acta Crystallographica Section E","2013","69","2","o288","o289","10.1107/S160053681300038X","","","0.71073","MoKα","","0.036","0.0288","","","0.0707","0.0741","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237335","10.1577","0.0005","19.1711","0.0008","8.6536","0.0003","90","","119.304","0.002","90","","1469.51","0.11","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","","<i>cis</i>-Dichlorido(dimethyl sulfoxide-κ<i>S</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- tetramethylguanidine)platinum(II)","","- C7 H19 Cl2 N3 O Pt S -","- C7 H19 Cl2 N3 O Pt S -","- C28 H76 Cl8 N12 O4 Pt4 S4 -","4","1","HG5281","Eliseev, Ivan I.; Bokach, Nadezhda A.; Haukka, Matti; Golenya, Irina A.","<i>cis</i>-Dichlorido(dimethyl sulfoxide-κ<i>S</i>)(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylguanidine-κ<i>N</i>'')platinum(II)","Acta Crystallographica Section E","2013","69","2","m117","m118","10.1107/S160053681300130X","","","0.71073","MoKα","","0.0268","0.0225","","","0.0439","0.0452","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237336","9.9515","0.0008","10.7382","0.0009","12.625","0.001","98.863","0.007","104.391","0.007","111.498","0.008","1170","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Orphenadrinium dihydrogen citrate","<i>N</i>,<i>N</i>-Dimethyl-2-[(2-methylphenyl)(phenyl)methoxy]ethanaminium 2-carboxylatomethyl-2-hydroxybutanedioic acid","","- C24 H31 N O8 -","- C24 H31 N O8 -","- C48 H62 N2 O16 -","2","1","HG5283","Kaur, Manpreet; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Siddaraju, B. P.","Orphenadrinium dihydrogen citrate","Acta Crystallographica Section E","2013","69","2","o248","","10.1107/S1600536813001207","","","1.54184","CuKα","","0.0633","0.0558","","","0.1511","0.1607","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237337","5.4032","0.0008","14.722","0.002","12.1055","0.0018","90","","96.182","0.004","90","","957.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Carboxymethyl)imidazo[1,2-<i>a</i>]pyridin-1-ium chloride","","- C9 H9 Cl N2 O2 -","- C9 H9 Cl N2 O2 -","- C36 H36 Cl4 N8 O8 -","4","1","HP2052","Yin, Wen-Yu","2-(Carboxymethyl)imidazo[1,2-<i>a</i>]pyridin-1-ium chloride","Acta Crystallographica Section E","2013","69","2","o211","","10.1107/S1600536812051549","","","0.71073","MoKα","","0.0628","0.0473","","","0.0779","0.0831","","","","","","1.016","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237338","7.451","0.0005","14.1636","0.0008","8.1977","0.0005","90","","90.459","0.006","90","","865.1","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>catena</i>-Poly[(acetatochloridozinc)-μ-1,1'-[1,4- phenylenebis(methylene)]di-1<i>H</i>-imidazole]","","- C16 H17 Cl N4 O2 Zn -","- C16 H17 Cl N4 O2 Zn -","- C32 H34 Cl2 N8 O4 Zn2 -","2","0.5","HP2053","Wang, Liang","<i>catena</i>-Poly[(acetatochloridozinc)-μ-1,1'-[1,4-phenylenebis(methylene)]di-1<i>H</i>-imidazole]","Acta Crystallographica Section E","2013","69","2","m102","","10.1107/S1600536813000524","","","0.71073","MoKα","","0.0787","0.0535","","","0.1137","0.1239","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237339","10.406","0.004","14.323","0.005","10.45","0.004","90","","93.294","0.006","90","","1554.9","1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2-Amino-7-methyl-4-oxidopteridine-6-carboxylato- κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)aqua(ethane-1,2-diamine- κ^2^<i>N</i>,<i>N</i>')nickel(II) dihydrate","","- C10 H19 N7 Ni O6 -","- C10 H19 N7 Ni O6 -","- C40 H76 N28 Ni4 O24 -","4","1","HY2612","Baisya, Siddhartha S.; Roy, Parag S.","(2-Amino-7-methyl-4-oxidopteridine-6-carboxylato-κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)aqua(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II) dihydrate","Acta Crystallographica Section E","2013","69","2","m99","m100","10.1107/S160053681300069X","","","0.71073","MoKα","","0.0641","0.0501","","0.1348","0.1258","0.1348","","","","","","0.9145","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237340","16.83","0.004","22.032","0.005","23.221","0.005","90","","90","","90","","8610","3","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","<i>trans</i>-Dibromidotetrakis(pyridine-κ<i>N</i>)ruthenium(II)","","- C20 H20 Br2 N4 Ru -","- C20 H20 Br2 N4 Ru -","- C320 H320 Br32 N64 Ru16 -","16","0.5","HY2613","Wu, Xiu-Li; Ye, Ru-Fei; Jia, Ai-Quan; Chen, Qun; Zhang, Qian-Feng","<i>trans</i>-Dibromidotetrakis(pyridine-κ<i>N</i>)ruthenium(II)","Acta Crystallographica Section E","2013","69","2","m105","","10.1107/S1600536813000871","","","0.71073","MoKα","","0.0493","0.0251","","","0.0588","0.0686","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237341","9.7733","0.0003","19.6193","0.0005","11.7922","0.0003","90","","109.603","0.001","90","","2130.05","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-(2,4-Dinitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>- xanthene-1,8(2<i>H</i>)-dione","","- C23 H24 N2 O7 -","- C23 H24 N2 O7 -","- C92 H96 N8 O28 -","4","1","IM2418","Sureshbabu, N.; Sughanya, V.","9-(2,4-Dinitrophenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1<i>H</i>-xanthene-1,8(2<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","2","o281","","10.1107/S1600536813001384","","","0.71073","MoKα","","0.0853","0.0518","","","0.1369","0.1585","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237342","8.313","0.0015","20.866","0.004","12.513","0.002","90","","97.665","0.002","90","","2151.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)-κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^3^,<i>O</i>^4^] ethanol disolvate]","","- C20 H20 Cl2 Mn N2 O6 -","- C20 H20 Cl2 Mn N2 O6 -","- C80 H80 Cl8 Mn4 N8 O24 -","4","1","IS5235","Nishimura, Yuji; Himegi, Akiko; Fuyuhiro, Akira; Hayami, Shinya; Kawata, Satoshi","<i>catena</i>-Poly[[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-(2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolato)-κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^3^,<i>O</i>^4^] ethanol disolvate]","Acta Crystallographica Section E","2013","69","2","m119","m120","10.1107/S1600536813001438","","","0.71075","MoKα","","0.0403","0.037","","","0.087","0.0893","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237343","10.3669","0.0002","15.7466","0.0003","18.4539","0.0003","77.373","0.001","80.425","0.001","87.058","0.001","2898.31","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-hydroxy-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate 1.25-hydrate","","- C14 H19.5 N O5.25 -","- C14 H19.5 N O5.25 -","- C112 H156 N8 O42 -","8","4","IS5239","Mansor, Nurul Shulehaf; Mohammat, Mohd Fazli; Shaameri, Zurina; Khaledi, Hamid","Ethyl 4-hydroxy-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate 1.25-hydrate","Acta Crystallographica Section E","2013","69","2","o293","o294","10.1107/S1600536813001943","","","0.71073","MoKα","","0.0463","0.0387","","","0.0985","0.1038","","","","","","1.021","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237344","16.22","0.003","15.361","0.003","18.224","0.004","90","","113.792","0.002","90","","4154.7","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","N-Boc-5-bromo-3-(thiophene-2-carbonyl)-1H-indole-2-ethylcarboxylate","1-<i>tert</i>-Butyl 2-ethyl 5-bromo-3-(thiophen-2-ylcarbonyl)-1<i>H</i>-indole-1,2-dicarboxylate","","- C21 H20 Br N O5 S -","- C20.9999 H20 Br N O5 S -","- C167.999 H160 Br8 N8 O40 S8 -","8","1","JJ2160","Hassam, Mohammad; Smith, Vincent J.","1-<i>tert</i>-Butyl 2-ethyl 5-bromo-3-(thiophen-2-ylcarbonyl)-1<i>H</i>-indole-1,2-dicarboxylate","Acta Crystallographica Section E","2013","69","2","o237","","10.1107/S1600536813000809","","","0.71073","MoKα","","0.0376","0.0285","","","0.0632","0.0661","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237345","8.56","0.0003","6.632","0.0002","23.413","0.0007","90","","90.742","0.002","90","","1329.04","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","7-Methoxyflavanone","7-Methoxy-2-phenylchroman-4-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","KJ2213","Piaskowska, Agata; Hodorowicz, Maciej; Nitek, Wojciech","7-Methoxy-2-phenylchroman-4-one","Acta Crystallographica Section E","2013","69","2","o271","","10.1107/S1600536813001451","","","0.71073","MoKα","","0.126","0.0864","","","0.2556","0.2798","","","","","","1.176","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237346","9.4741","0.0015","10.1805","0.0015","12.0677","0.0018","103.25","0.004","95.443","0.003","97.08","0.003","1115.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-chlorido-bis{[2-(di-<i>tert</i>-butylphosphanyl)biphenyl-3-yl- κ^2^<i>C</i>^3^,<i>P</i>]palladium(II)} dichloromethane disolvate","","- C42 H56 Cl6 P2 Pd2 -","- C42 H56 Cl6 P2 Pd2 -","- C42 H56 Cl6 P2 Pd2 -","1","0.5","KJ2217","Holzapfel, Cedric W.; Omondi, Bernard","Di-μ-chlorido-bis{[2-(di-<i>tert</i>-butylphosphanyl)biphenyl-3-yl-κ^2^<i>C</i>^3^,<i>P</i>]palladium(II)} dichloromethane disolvate","Acta Crystallographica Section E","2013","69","2","m86","","10.1107/S1600536812051136","","","0.71073","MoKα","","0.0589","0.0389","","","0.0847","0.0936","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237347","8.014","0.004","15.472","0.007","16.006","0.007","90","","99.98","0.02","90","","1954.6","1.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Benzhydryl-6-<i>tert</i>-butyl-4-methylphenol","","- C24 H26 O -","- C24 H26 O -","- C96 H104 O4 -","4","1","KJ2218","Yoon, Sungwoo; Lee, Junseong; Kim, Youngjo","2-Benzhydryl-6-<i>tert</i>-butyl-4-methylphenol","Acta Crystallographica Section E","2013","69","2","o287","","10.1107/S1600536813002006","","","0.71073","MoKα","","0.1858","0.0705","","","0.1322","0.1717","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237348","13.431","0.014","9.1803","0.0009","12.638","0.004","90","","100.49","0.08","90","","1532.2","1.7","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[2-(5-<i>tert</i>-Butyl-1,2-oxazol-3-yl)hydrazinylidene]chroman-2,4-dione","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C64 H60 N12 O16 -","4","1","KP2443","Jashari, Ahmed; Popovski, Emil; Mikhova, Bozhana; Nikolova, Rositsa P.; Shivachev, Boris L.","3-[2-(5-<i>tert</i>-Butyl-1,2-oxazol-3-yl)hydrazinylidene]chroman-2,4-dione","Acta Crystallographica Section E","2013","69","2","o258","","10.1107/S1600536813000858","","","0.7107","MoKα","","0.101","0.0718","","","0.1659","0.1813","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237349","8.7126","0.0003","19.1311","0.0006","13.9338","0.0004","90","","93.198","0.002","90","","2318.89","0.13","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(4-{2-[(<i>E</i>)-3-(4-Chlorophenyl)-3-oxoprop-1-en-1-yl]phenoxy}butyl)-1<i>H</i>-indole-3-carbaldehyde","","- C28 H24 Cl N O3 -","- C28 H24 Cl N O3 -","- C112 H96 Cl4 N4 O12 -","4","1","KP2444","Paramasivam, S.; Purushothaman, Santhanagopalan; Seshadri, P. R.; Raghunathan, Raghavachary","1-(4-{2-[(<i>E</i>)-3-(4-Chlorophenyl)-3-oxoprop-1-en-1-yl]phenoxy}butyl)-1<i>H</i>-indole-3-carbaldehyde","Acta Crystallographica Section E","2013","69","2","o314","o315","10.1107/S1600536813002456","","","0.71073","MoKα","","0.0739","0.0493","","","0.1266","0.1446","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237350","11.517","0.003","13.248","0.002","13.459","0.001","91.13","0.005","104.708","0.004","109.798","0.004","1856.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido{<i>N</i>'-[phenyl(pyridin-2-yl- κ<i>N</i>)methylidene]isonicotinohydrazide-κ^2^<i>N</i>',<i>O</i>}zinc","","- C18 H14 Cl2 N4 O Zn -","- C18 H14 Cl2 N4 O Zn -","- C72 H56 Cl8 N16 O4 Zn4 -","4","2","KQ2001","Sy, Adama; Dieng, Moussa; Thiam, Ibrahima Elhadj; Gaye, Mohamed; Retailleau, Pascal","Dichlorido{<i>N</i>'-[phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]isonicotinohydrazide-κ^2^<i>N</i>',<i>O</i>}zinc","Acta Crystallographica Section E","2013","69","2","m108","","10.1107/S1600536813001281","","","0.7107","MoKα","","0.0928","0.0424","","","0.0856","0.1018","","","","","","0.972","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237351","18.3693","0.0014","5.6971","0.0004","16.3049","0.0012","90","","109.526","0.001","90","","1608.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-1-[6-Hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7- tetrahydro-2<i>H</i>-indazol-5-yl]ethanone","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C72 H88 N8 O12 -","4","1","LD2089","Potekhin, Konstantin A.; Askerov, Rizvan K.; Hajiyeva, Kushvar E.; Gadirova, Narmina A.; Nazarov, Shahkaram I.","<i>rac</i>-1-[6-Hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2<i>H</i>-indazol-5-yl]ethanone","Acta Crystallographica Section E","2013","69","2","o243","","10.1107/S1600536813000937","","","0.71073","MoKα","","0.091","0.0574","","","0.136","0.1513","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237352","6.311","0.0013","15.429","0.003","15.433","0.003","90","","90","","90","","1502.7","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","[(1<i>R</i>,3<i>S</i>)-2,2-Dichloro-3-(hydroxymethyl)cyclopropyl]methanol","","- C5 H8 Cl2 O2 -","- C5 H8 Cl2 O2 -","- C40 H64 Cl16 O16 -","8","2","LD2090","Kailani, Mohammed H.","[(1<i>R</i>,3<i>S</i>)-2,2-Dichloro-3-(hydroxymethyl)cyclopropyl]methanol","Acta Crystallographica Section E","2013","69","2","o225","","10.1107/S1600536813000366","","","0.71073","MoKα","","0.0592","0.0384","","","0.078","0.0847","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237353","15.9018","0.001","7.3716","0.0004","16.8376","0.001","90","","111.644","0.003","90","","1834.57","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Ethyl-4-{2-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","","- C19 H21 N3 O2 S -","- C19 H21 N3 O2 S -","- C76 H84 N12 O8 S4 -","4","1","LD2091","Shafiq, Muhammad; Tahir, M. Nawaz; Harrison, William T. A.; Bokhari, Tanveer Hussain; Safder, Muhammad","1-Ethyl-4-{2-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2013","69","2","o200","","10.1107/S1600536813000202","","","0.71073","MoKα","","0.0703","0.0481","","","0.1232","0.1387","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237354","14.451","0.011","9.558","0.007","11.404","0.009","90","","92.749","0.015","90","","1573","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis[μ-4-(4-carboxyphenoxy)phthalato]bis[triaquacobalt(II)]","","- C30 H28 Co2 O20 -","- C30 H28 Co2 O20 -","- C60 H56 Co4 O40 -","2","0.5","LH5557","Wang, Liang","Bis[μ-4-(4-carboxyphenoxy)phthalato]bis[triaquacobalt(II)]","Acta Crystallographica Section E","2013","69","2","m101","","10.1107/S1600536813000536","","","0.71073","MoKα","","0.141","0.0589","","","0.0977","0.1159","","","","","","0.895","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237355","8.7845","0.0004","9.4656","0.0004","13.7529","0.0006","109.276","0.001","98.306","0.001","99.739","0.001","1038.95","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-thiosemicarbazide- κ^4^<i>S</i>:<i>S</i>-bis[chloridobis(triphenylphosphane-κ<i>P</i>)silver(I)]","","- C38 H40 Ag2 Cl2 N6 P2 S2 -","- C38 H40 Ag2 Cl2 N6 P2 S2 -","- C38 H40 Ag2 Cl2 N6 P2 S2 -","1","0.5","LH5573","Wattanakanjana, Yupa; Pakawatchai, Chaveng; Nimthong, Ruthairat","Di-μ-thiosemicarbazide-κ^4^<i>S</i>:<i>S</i>-bis[chloridobis(triphenylphosphane-κ<i>P</i>)silver(I)]","Acta Crystallographica Section E","2013","69","2","m83","m84","10.1107/S1600536812051562","","","0.71073","MoKα","","0.0282","0.0258","","","0.0675","0.0694","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237356","14.1607","0.0006","15.3126","0.001","21.1196","0.0014","90","","90","","90","","4579.5","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","9-(3,4-Dimethoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","","- C25 H31 N O4 -","- C25 H31 N O4 -","- C200 H248 N8 O32 -","8","2","LH5574","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Chandam, D. R.; Deshmukh, Madhukar B.","9-(3,4-Dimethoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione","Acta Crystallographica Section E","2013","69","2","o297","o298","10.1107/S1600536813002250","","","0.71073","MoKα","","0.0962","0.0587","","","0.1087","0.1272","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237357","13.4735","0.0004","14.7294","0.0004","18.2282","0.0006","90","","109.255","0.001","90","","3415.14","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-Oxalato-bis[bis(triphenylphosphine)copper(I)] dichloromethane disolvate","","- C76 H64 Cl4 Cu2 O4 P4 -","- C76 H64 Cl4 Cu2 O4 P4 -","- C152 H128 Cl8 Cu4 O8 P8 -","2","0.5","LH5575","Royappa, Andrew D.; Golen, James A.; Rheingold, Arnold L.; Royappa, A. Timothy","μ-Oxalato-bis[bis(triphenylphosphine)copper(I)] dichloromethane disolvate","Acta Crystallographica Section E","2013","69","2","m126","","10.1107/S1600536813002080","","","0.71073","MoKα","","0.0493","0.0354","","","0.0817","0.0875","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237358","8.493","0.003","10.285","0.003","15.247","0.005","90","","94.512","0.004","90","","1327.7","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-2,4-bis(dimethylamino)-1,3,5-trimethylborazine","","- C7 H21 B3 Cl N5 -","- C7 H21 B3 Cl N5 -","- C28 H84 B12 Cl4 N20 -","4","1","LH5576","Rodriguez, Mark A.; Borek, Theodore T.","6-Chloro-2,4-bis(dimethylamino)-1,3,5-trimethylborazine","Acta Crystallographica Section E","2013","69","2","o309","","10.1107/S1600536813002420","","","0.71073","MoKα","","0.0648","0.0403","","","0.0963","0.1095","","","","","","1.026","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237359","8.696","0.0006","12.3708","0.0004","18.3303","0.001","90","","90","","90","","1971.91","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β-Acetoxy-19-hydroxy-Δ^5^-pregnen-20-one","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","LR2076","Meier zu Greffen, Aike; Kranz, Darius P.; Neudörfl, Jörg-M.; Schmalz, Hans-Günther","3β-Acetoxy-19-hydroxy-Δ^5^-pregnen-20-one","Acta Crystallographica Section E","2013","69","2","o313","","10.1107/S1600536813002493","","","0.71073","MoKα","","0.0543","0.0367","","","0.0743","0.0794","","","","","","0.987","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237360","8.3022","0.0002","9.0208","0.0003","12.0334","0.0004","96.468","0.002","93.652","0.002","117.422","0.002","788","0.04","295","2","295","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 2-[(acridin-9-yl)methylidene]malonate","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C38 H30 N2 O8 -","2","1","LR2094","de Almeida, Sinara M. V.; Pitta, Ivan R.; do Lima, Maria; Mendonça Junior, Francisco J. B.; de Simone, Carlos A.","Dimethyl 2-[(acridin-9-yl)methylidene]malonate","Acta Crystallographica Section E","2013","69","2","o224","","10.1107/S1600536813000500","","","0.71073","MoKα","","0.063","0.0515","","","0.1344","0.1479","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237361","9.0248","0.0003","8.7602","0.0003","13.1792","0.0004","90","","101.062","0.002","90","","1022.58","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Ethyl 3-[6-(4-methoxybenzenesulfonamido)-2<i>H</i>-indazol-2-yl]propanoate monohydrate","","- C19 H23 N3 O6 S -","- C19 H23 N3 O6 S -","- C38 H46 N6 O12 S2 -","2","1","LR2095","Abbassi, Najat; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 3-[6-(4-methoxybenzenesulfonamido)-2<i>H</i>-indazol-2-yl]propanoate monohydrate","Acta Crystallographica Section E","2013","69","2","o190","o191","10.1107/S1600536812051975","","","0.71073","MoKα","","0.032","0.0305","","","0.0756","0.0767","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237362","4.6311","0.0003","5.0435","0.0003","15.2957","0.0009","89.091","0.004","83.315","0.004","85.956","0.004","353.94","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","1,2-Ethanediylbis(2-hydroxybenzamide)","2,2'-Dihydroxy-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)dibenzamide","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","1","0.5","LR2096","da Costa, Daniel Pereira; Nobre, Sabrina Madruga; Lisboa, Bruna Gonçalves; de Vicenti, Juliano Rosa; Back, Davi Fernando","2,2'-Dihydroxy-<i>N</i>,<i>N</i>'-(ethane-1,2-diyl)dibenzamide","Acta Crystallographica Section E","2013","69","2","o201","","10.1107/S1600536812051963","","","0.71073","MoKα","","0.0882","0.0486","","","0.122","0.1427","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237363","4.0171","0.0008","14.105","0.003","11.899","0.002","90","","92.54","0.03","90","","673.5","0.2","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(3-picoline)2CuBr2","<i>trans</i>-Dibromidobis(3-methylpyridine-κ<i>N</i>)copper(II)","","- C12 H14 Br2 Cu N2 -","- C12 H14 Br2 Cu N2 -","- C24 H28 Br4 Cu2 N4 -","2","0.5","LR2097","Awwadi, Firas F.","<i>trans</i>-Dibromidobis(3-methylpyridine-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2013","69","2","m116","","10.1107/S1600536813001414","","","0.71073","MoKα","","0.0435","0.0323","","","0.0707","0.0749","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237364","15.4839","0.0004","9.5832","0.0002","15.6375","0.0004","90","","115.184","0.001","90","","2099.81","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-Methyl (1<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxo-2<i>H</i>- dispiro[acenaphthylene-1,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","LX2278","Ganesh, G.; Yuvaraj, Panneer Selvam; Divakara, Chinthalapuri; Reddy, Boreddy S. R.; SubbiahPandi, A.","<i>rac</i>-Methyl (1<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxo-2<i>H</i>-dispiro[acenaphthylene-1,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","Acta Crystallographica Section E","2013","69","2","o235","","10.1107/S1600536813000470","","","0.71073","MoKα","","0.0564","0.0377","","","0.0918","0.103","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237365","13.4342","0.0002","13.7395","0.0003","13.9932","0.0003","89.174","0.011","77.075","0.012","77.159","0.012","2452.76","0.19","183","2","183","2","","","","","","","","4","P -1","-P 1","2","","Bis{2-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-1-ido}palladium(II)","","- C28 H30 N4 Pd -","- C28 H30 N4 Pd -","- C112 H120 N16 Pd4 -","4","2","NC2300","Imhof, Wolfgang","Bis{2-[(2,4,6-trimethylphenyl)iminomethyl]pyrrol-1-ido}palladium(II)","Acta Crystallographica Section E","2013","69","2","m96","","10.1107/S1600536813000573","","","0.71073","MoKα","","0.0459","0.0322","","","0.0759","0.0819","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237366","9.2483","0.0018","6.663","0.0013","17.622","0.003","90","","94.377","0.002","90","","1082.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-<i>N</i>-methyl-<i>N</i>-[2-(methylamino)phenyl]acetamide","","- C10 H13 Cl N2 O -","- C10 H13 Cl N2 O -","- C40 H52 Cl4 N8 O4 -","4","1","NC2302","Bai, Yu-Bin; Chen, Xia-Hui; Ma, Ya-Tuan; Zhang, An-Ling; Gao, Jin-Ming","2-Chloro-<i>N</i>-methyl-<i>N</i>-[2-(methylamino)phenyl]acetamide","Acta Crystallographica Section E","2013","69","2","o229","","10.1107/S1600536813000494","","","0.71073","MoKα","","0.0632","0.0445","","","0.1243","0.1401","","","","","","1.009","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237367","11.2079","0.0003","13.1612","0.0005","14.3443","0.0006","86.578","0.003","70.484","0.003","71.232","0.003","1885.6","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(diethylamido-κ<i>N</i>)(diethylamine-κ<i>N</i>)bis(2,6- diisopropylphenylamido-κ<i>N</i>)zirconium(IV)","","- C36 H67 N5 Zr -","- C36 H67 N5 Zr -","- C72 H134 N10 Zr2 -","2","1","NG5310","Zauliczny, Mateusz; Grubba, Rafał; Ponikiewski, Łukasz; Pikies, Jerzy","Bis(diethylamido-κ<i>N</i>)(diethylamine-κ<i>N</i>)bis(2,6-diisopropylphenylamido-κ<i>N</i>)zirconium(IV)","Acta Crystallographica Section E","2013","69","2","m72","","10.1107/S160053681205115X","","","0.71073","MoKα","","0.0921","0.0734","","","0.1797","0.1882","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237368","12.8617","0.001","7.5352","0.0005","17.595","0.0015","90","","103.143","0.008","90","","1660.6","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethylphenyl acridine-9-carboxylate","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","1","NG5313","Trzybiński, Damian; Wera, Michał; Krzymiński, Karol; Błażejowski, Jerzy","2,6-Dimethylphenyl acridine-9-carboxylate","Acta Crystallographica Section E","2013","69","2","o166","","10.1107/S160053681205129X","","","0.71073","MoKα","","0.0918","0.0565","","","0.1305","0.1514","","","","","","0.968","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237369","16.4369","0.0013","6.54","0.0005","16.5025","0.0017","90","","104.312","0.004","90","","1718.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-Bromo-1-methyl-4-[2-(1-phenylethylidene)hydrazinylidene]- 3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","","- C17 H16 Br N3 O2 S -","- C17 H16 Br N3 O2 S -","- C68 H64 Br4 N12 O8 S4 -","4","1","NG5314","Shafiq, Muhammad; Tahir, M. Nawaz; Harrison, William T. A.; Bukhari, Iftikhar Hussain; Khan, Islam Ullah","6-Bromo-1-methyl-4-[2-(1-phenylethylidene)hydrazinylidene]-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2013","69","2","o164","","10.1107/S1600536812051380","","","0.71073","MoKα","","0.0646","0.0366","","","0.0738","0.0824","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237370","16.3887","0.0004","8.3136","0.0002","10.1404","0.0003","90","","90.234","0.002","90","","1381.61","0.06","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Benzyl <i>N</i>-[(<i>Z</i>)-(1-methyl-2-sulfanylpropylidene)amino]carbamodithioate","","- C12 H16 N2 S3 -","- C12 H16 N2 S3 -","- C48 H64 N8 S12 -","4","1","NK2192","bin Break, Mohammed Khaled; Mehta, Sachin; Tahir, M. Ibrahim M.; Crouse, Karen A.; Khoo, Teng-Jin","Benzyl <i>N</i>-[(<i>Z</i>)-(1-methyl-2-sulfanylpropylidene)amino]carbamodithioate","Acta Crystallographica Section E","2013","69","2","o178","","10.1107/S1600536812051008","","","1.5418","CuKα","","0.0485","0.0443","","0.1226","0.1188","0.1226","","","","","","0.9896","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237371","17.728","0.013","12.272","0.009","12.094","0.008","90","","90","","90","","2631","3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3''-(2-Fluorobenzylidene)-4'-(2-fluorophenyl)-1'-methyldispiro[acenaphthylene- 1,2'-pyrrolidine-3',1''-cyclopentane]-2,2''-dione","","- C33 H25 F2 N O2 -","- C33 H25 F2 N O2 -","- C132 H100 F8 N4 O8 -","4","1","PK2458","Chen, Gao-Zhi; Wei, Xiao-Yan; Wang, Yi; Ren, Lu-Qing; Li, Xiao-Kun","3''-(2-Fluorobenzylidene)-4'-(2-fluorophenyl)-1'-methyldispiro[acenaphthylene-1,2'-pyrrolidine-3',1''-cyclopentane]-2,2''-dione","Acta Crystallographica Section E","2013","69","2","o249","o250","10.1107/S1600536812051550","","","0.71073","MoKα","","0.0642","0.0545","","","0.1205","0.1256","","","","","","1.019","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2237372","22.7084","0.0004","10.3582","0.0002","14.7152","0.0003","90","","100.106","0.001","90","","3407.58","0.11","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","2,7-Diisopropoxy-1,8-bis(4-phenoxybenzoyl)naphthalene","[8-(4-Phenoxybenzoyl)-2,7-bis(propan-2-yloxy)naphthalen-1-yl](4- phenoxyphenyl)methanone","","- C42 H36 O6 -","- C42 H36 O6 -","- C168 H144 O24 -","4","0.5","PK2459","Yoshiwaka, Sayaka; Hijikata, Daichi; Sasagawa, Kosuke; Okamoto, Akiko; Yonezawa, Noriyuki","[8-(4-Phenoxybenzoyl)-2,7-bis(propan-2-yloxy)naphthalen-1-yl](4-phenoxyphenyl)methanone","Acta Crystallographica Section E","2013","69","2","o242","","10.1107/S1600536813000913","","","1.54187","CuKα","","0.0393","0.0356","","","0.0937","0.0958","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237373","12.8391","0.0015","11.0697","0.0013","35.897","0.004","90","","90","","90","","5101.9","1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(4-Chloroacetanilido-κ^2^<i>N</i>,<i>O</i>)bis[2-(pyridin-2-yl)phenyl- κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","","- C30 H23 Cl Ir N3 O -","- C30 H23 Cl Ir N3 O -","- C240 H184 Cl8 Ir8 N24 O8 -","8","1","PK2461","Sun, Lijun; Zhang, Songlin; Song, Qijun","(4-Chloroacetanilido-κ^2^<i>N</i>,<i>O</i>)bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","Acta Crystallographica Section E","2013","69","2","m98","","10.1107/S1600536813000433","","","0.7107","MoKα","","0.0691","0.0575","","","0.095","0.099","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237374","7.6418","0.0003","20.8825","0.0009","18.0412","0.0009","90","","94.485","0.001","90","","2870.2","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl <i>N</i>-hydroxy-<i>N</i>-(2-methylphenyl)carbamate","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C108 H132 N12 O36 -","12","3","PK2462","Zhang, Binbin; Wang, Yifeng; Dong, Kun; Xu, Danqian","Methyl <i>N</i>-hydroxy-<i>N</i>-(2-methylphenyl)carbamate","Acta Crystallographica Section E","2013","69","2","o230","","10.1107/S1600536813000421","","","0.71073","MoKα","","0.1175","0.063","","","0.1322","0.1606","","","","","","1.007","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237375","11.6939","0.0002","13.1689","0.0003","25.9575","0.0005","90","","95.4","0.01","90","","3979.61","0.15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[diaqua(μ~4~-carboxylatomethylphosphonato)(μ~4~- carboxymethylphosphonato)pentadecamethylpentatin(IV)]","","- C19 H54 O12 P2 Sn5 -","- C19 H54 O12 P2 Sn5 -","- C76 H216 O48 P8 Sn20 -","4","0.5","PV2611","Boye, Mouhamadou Sembene; Diasse-Sarr, Aminata; Grosjean, Arnaud; Guionneau, Philippe","Poly[diaqua(μ~4~-carboxylatomethylphosphonato)(μ~4~-carboxymethylphosphonato)pentadecamethylpentatin(IV)]","Acta Crystallographica Section E","2013","69","2","m110","m111","10.1107/S1600536813000676","","","0.71073","MoKα","","0.0261","0.0223","","","0.0525","0.0539","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237376","9.3526","0.0003","17.9559","0.0005","10.9158","0.0003","90","","101.346","0.001","90","","1797.31","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","14-Ethoxy-4,6,9-trimethyl-8,12-dioxa-4,6- diazatetracyclo[8.8.0.0^2,7^.0^13,18^]octadeca- 2(7),13,15,17-tetraene-3,5,11-trione","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C76 H80 N8 O24 -","4","1","PV2613","Jagadeesan, G.; Kannan, D.; Bakthadoss, M.; Aravindhan, S.","14-Ethoxy-4,6,9-trimethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.0^2,7^.0^13,18^]octadeca-2(7),13,15,17-tetraene-3,5,11-trione","Acta Crystallographica Section E","2013","69","2","o272","","10.1107/S1600536813000743","","","0.71073","MoKα","","0.0772","0.0493","","","0.1314","0.1505","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237377","20.057","0.004","7.3816","0.0015","13.7","0.003","90","","112.324","0.004","90","","1876.3","0.7","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","(7a<i>R</i>)-1-[(2<i>R</i>,5<i>S</i>,<i>E</i>)-6-Hydroxy-5,6-dimethylhept- 3-en-2-yl]-7a-methylhexahydro-1<i>H</i>-inden-4(2<i>H</i>)-one","","- C19 H32 O2 -","- C19 H32 O2 -","- C76 H128 O8 -","4","1","PV2614","Rivadulla, Marcos L.; Sene, Massene; González, María; Covelo, Berta","(7a<i>R</i>)-1-[(2<i>R</i>,5<i>S</i>,<i>E</i>)-6-Hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methylhexahydro-1<i>H</i>-inden-4(2<i>H</i>)-one","Acta Crystallographica Section E","2013","69","2","o218","","10.1107/S1600536812051343","","","0.71073","MoKα","","0.0712","0.0477","","","0.1314","0.1515","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237378","38.9453","0.0014","5.7769","0.0002","18.3045","0.0007","90","","95.334","0.002","90","","4100.4","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-Cyclopropyl-2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-phenylpentane-1,5-dione","","- C26 H22 F2 O2 -","- C26 H22 F2 O2 -","- C208 H176 F16 O16 -","8","1","PV2615","Srinivasan, Thothadri; Senthilkumar, Govindaraj; Manikandan, Haridoss; Gopalakrishanan, Mannathusamy; Velmurugan, Devadasan","1-Cyclopropyl-2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-phenylpentane-1,5-dione","Acta Crystallographica Section E","2013","69","2","o215","","10.1107/S1600536813000032","","","0.71073","MoKα","","0.0768","0.0457","","","0.1114","0.1329","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237379","9.7837","0.0012","10.3917","0.0014","12.2925","0.0017","108.669","0.004","104.484","0.004","99.746","0.004","1103.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-[2-(Triphenylphosphanylidene)acetyl]-2<i>H</i>-chromen-2-one","","- C29 H21 O3 P -","- C29 H21 O3 P -","- C58 H42 O6 P2 -","2","1","PV2616","Taha, Muhammad; Ismail, Nor Hadiani; Aziza, Ahmad Nazif; Shah, Syed Adnan Ali; Yousuf, Sammer","3-[2-(Triphenylphosphanylidene)acetyl]-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2013","69","2","o245","","10.1107/S160053681300127X","","","0.71073","MoKα","","0.0397","0.0354","","","0.0872","0.0926","","","","","","1.074","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237380","7.4426","0.0006","10.5117","0.0009","10.6887","0.0009","60.939","0.004","88.107","0.005","77.546","0.005","711.22","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","8,8-Dimethyl-8,9-dihydro-7<i>H</i>-chromeno[2,3-<i>b</i>]quinoline-10,12-dione","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C36 H30 N2 O6 -","2","1","PV2617","Srinivasan, Thothadri; Yuvaraj, Panneerselvam; Reddy, Boreddy S. R.; Velmurugan, Devadasan","8,8-Dimethyl-8,9-dihydro-7<i>H</i>-chromeno[2,3-<i>b</i>]quinoline-10,12-dione","Acta Crystallographica Section E","2013","69","2","o254","","10.1107/S1600536813001050","","","0.71073","MoKα","","0.0487","0.0401","","","0.1106","0.1183","","","","","","1.054","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237381","25.9304","0.0003","8.93","0.0001","14.9377","0.0002","90","","90","","90","","3458.95","0.07","100","0.5","100","0.5","","","","","","","","2","P b c n","-P 2n 2ab","60","","2-[3-(Naphthalen-2-yl)phenyl]naphthalene","","- C26 H18 -","- C26 H18 -","- C208 H144 -","8","1","PV2619","Wolfenden, Mark L.; Dhar, Raj K.; Fronczek, Frank R.; Watkins, Steven F.","2-[3-(Naphthalen-2-yl)phenyl]naphthalene","Acta Crystallographica Section E","2013","69","2","o308","","10.1107/S1600536813002390","","","0.71073","MoKα","","","0.0453","","","","0.1252","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237382","8.917","0.005","11.03","0.006","12.179","0.007","83.171","0.006","73.903","0.006","68.332","0.006","1069.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-chlorido-bis[(2,2'-bipyridine-5,5'-dicarboxylic acid-κ^2^<i>N</i>,<i>N</i>')chloridocopper(II)] dimethylformamide tetrasolvate","","- C36 H44 Cl4 Cu2 N8 O12 -","- C36 H44 Cl4 Cu2 N8 O12 -","- C36 H44 Cl4 Cu2 N8 O12 -","1","0.5","QK2049","Øien, Sigurd; Wragg, David Stephen; Lillerud, Karl Petter; Tilset, Mats","Di-μ-chlorido-bis[(2,2'-bipyridine-5,5'-dicarboxylic acid-κ^2^<i>N</i>,<i>N</i>')chloridocopper(II)] dimethylformamide tetrasolvate","Acta Crystallographica Section E","2013","69","2","m73","m74","10.1107/S1600536812051422","","","0.71073","MoKα","","0.0425","0.0294","","","0.063","0.0676","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237383","5.3784","0.0005","10.157","0.0009","14.5488","0.0017","77.315","0.009","84.735","0.009","78.193","0.008","758.06","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","(Pyridin-4-yl)methyl 3-[(1<i>E</i>,2<i>E</i>)-3-Phenylprop-2-en-1-ylidene]dithiocarbazate","(Pyridin-4-yl)methyl <i>N</i>'-(3-phenylallylidene)hydrazinecarbodithioate","","- C16 H15 N3 S2 -","- C16 H15 N3 S2 -","- C32 H30 N6 S4 -","2","1","QM2090","Low, May Lee; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","(Pyridin-4-yl)methyl <i>N</i>'-(3-phenylallylidene)hydrazinecarbodithioate","Acta Crystallographica Section E","2013","69","2","o167","o168","10.1107/S1600536812051537","","","1.54184","CuKα","","0.0504","0.0416","","","0.1074","0.1153","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237384","10.6492","0.0005","11.4005","0.0006","15.8046","0.0008","90","","96.482","0.001","90","","1906.51","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,5-Diphenyl-1,2,4-dithiazolium tetrabromidoferrate(III)","","- C14 H10 Br4 Fe N S2 -","- C14 H10 Br4 Fe N S2 -","- C56 H40 Br16 Fe4 N4 S8 -","4","1","QM2091","Shotonwa, Ibukun O.; Boeré, René T.","3,5-Diphenyl-1,2,4-dithiazolium tetrabromidoferrate(III)","Acta Crystallographica Section E","2013","69","2","m95","","10.1107/S1600536813000275","","","0.71073","MoKα","","0.0436","0.0269","","","0.0464","0.0502","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237385","7.479","0.005","11.671","0.004","13.52","0.005","90","","100.217","0.005","90","","1161.4","1","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylpyridinium 4-hydroxybenzoate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","RK2392","Sudhahar, S.; Krishnakumar, M.; Sornamurthy, B. M.; Chakkaravarthi, G.; Mohankumar, R.","4-Methylpyridinium 4-hydroxybenzoate","Acta Crystallographica Section E","2013","69","2","o279","","10.1107/S1600536813001785","","","0.71073","MoKα","","0.0609","0.0434","","","0.1148","0.1277","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237386","16.0313","0.0003","18.4956","0.0003","12.1238","0.0002","90","","131.389","0.001","90","","2696.96","0.09","193","2","193","2","","","","","","","","3","C 1 c 1","C -2yc","9","1,8-Bis(4-phenoxybenzoyl)-2,7-dihydroxynaphthalene","[2,7-Dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl](4-phenoxyphenyl)methanone","","- C36 H24 O6 -","- C36 H24 O6 -","- C144 H96 O24 -","4","1","RN2112","Hijikata, Daichi; Sasagawa, Kosuke; Yoshiwaka, Sayaka; Okamoto, Akiko; Yonezawa, Noriyuki","[2,7-Dihydroxy-8-(4-phenoxybenzoyl)naphthalen-1-yl](4-phenoxyphenyl)methanone","Acta Crystallographica Section E","2013","69","2","o208","o209","10.1107/S1600536812052038","","","1.54187","CuKα","","0.0404","0.0374","","","0.0939","0.096","","","","","","1.084","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237387","15.4611","0.0019","14.2436","0.0018","20.886","0.003","90","","90","","90","","4599.6","1","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato- κ<i>O</i>)tetrakis(methanol-κ<i>O</i>)calcium methanol tetrasolvate","","- C46 H54 Ca F4 O12 -","- C46 H54 Ca F4 O12 -","- C184 H216 Ca4 F16 O48 -","4","0.5","RU2047","Kim, Namseok; Noh, Heeso; Yoon, Sungho; Park, Chan Ryang","Bis(4,4''-difluoro-1,1':3',1''-terphenyl-2'-carboxylato-κ<i>O</i>)tetrakis(methanol-κ<i>O</i>)calcium methanol tetrasolvate","Acta Crystallographica Section E","2013","69","2","m122","m123","10.1107/S1600536813000044","","","0.71073","MoKα","","0.164","0.0636","","","0.1245","0.1645","","","","","","0.978","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237388","7.0084","0.0008","7.9404","0.0009","23.064","0.003","90","","90","","90","","1283.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Chlorobenzene-1,4-diaminium bis(dihydrogenphosphate)","","- C6 H13 Cl N2 O8 P2 -","- C6 H13 Cl N2 O8 P2 -","- C24 H52 Cl4 N8 O32 P8 -","4","1","RU2048","Mrad, Mohamed Lahbib; Zeller, Matthias; Rzaigui, Mohamed; Ben Nasr, Cherif","2-Chlorobenzene-1,4-diaminium bis(dihydrogenphosphate)","Acta Crystallographica Section E","2013","69","2","o159","o160","10.1107/S1600536812051434","","","0.71073","MoKα","","0.0251","0.0245","","","0.064","0.0643","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237389","9.3686","0.0019","13.08","0.003","7.3048","0.0015","90","","106.86","0.03","90","","856.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(4-methylpyridine-κ<i>N</i>)cobalt(II)]- di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^]","","- C16 H14 Co N8 -","- C16 H14 Co N8 -","- C32 H28 Co2 N16 -","2","0.5","RZ5034","Huang, Wenjiang; Zhang, Jinfang; Zhang, Chi","<i>catena</i>-Poly[[bis(4-methylpyridine-κ<i>N</i>)cobalt(II)]-di-μ-dicyanamido-κ^2^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section E","2013","69","2","m90","","10.1107/S1600536812051252","","","0.71073","MoKα","","0.034","0.0309","","","0.0834","0.0854","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237390","16.1318","0.0003","7.18561","0.00013","20.7333","0.0004","90","","99.18","0.001","90","","2372.56","0.08","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Benzoylnaphthalene-2,7-diyl dibenzoate","","- C31 H20 O5 -","- C31 H20 O5 -","- C124 H80 O20 -","4","1","RZ5035","Sakamoto, Rei; Sasagawa, Kosuke; Hijikata, Daichi; Okamoto, Akiko; Yonezawa, Noriyuki","1-Benzoylnaphthalene-2,7-diyl dibenzoate","Acta Crystallographica Section E","2013","69","2","o210","","10.1107/S1600536812052026","","","1.54187","CuKα","","0.0416","0.0372","","","0.0992","0.1025","","","","","","1.067","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237391","5.6957","0.0003","12.1117","0.0011","13.0813","0.0011","72.748","0.008","86.477","0.006","89.941","0.006","860.04","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Benzyl 2-(benzylsulfanyl)benzoate","","- C21 H18 O2 S -","- C21 H18 O2 S -","- C42 H36 O4 S2 -","2","1","RZ5036","Leka, Zorica; Novaković, Sladjana B.; Bogdanović, Goran A.; Radić, Gordana P.; Ratković, Zoran R.","Benzyl 2-(benzylsulfanyl)benzoate","Acta Crystallographica Section E","2013","69","2","o285","o286","10.1107/S1600536813001761","","","1.5418","CuKα","","0.0542","0.0404","","","0.101","0.113","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237392","6.458","0.0004","13.4772","0.0008","16.3169","0.0009","90","","90","","90","","1420.15","0.14","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-2-Methoxy-<i>N</i>'-(2,4,6-trihydroxybenzylidene)benzohydrazide","","- C15 H14 N2 O5 -","- C15 H14 N2 O5 -","- C60 H56 N8 O20 -","4","1","RZ5037","Taha, Muhammad; Baharudin, M. Syukri; Ismail, Nor Hadiani; Shah, Syed Adnan Ali; Yousuf, Sammer","(<i>E</i>)-2-Methoxy-<i>N</i>'-(2,4,6-trihydroxybenzylidene)benzohydrazide","Acta Crystallographica Section E","2013","69","2","o277","","10.1107/S1600536813001748","","","0.71073","MoKα","","0.0328","0.0303","","","0.0773","0.0796","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237393","12.583","0.0007","9.8335","0.0005","23.6377","0.0013","90","","90","","90","","2924.8","0.3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-2-methoxybenzohydrazide","","- C15 H13 Cl N2 O2 -","- C15 H13 Cl N2 O2 -","- C120 H104 Cl8 N16 O16 -","8","1","RZ5038","Baharudin, M. Syukri; Taha, Muhammad; Ismail, Nor Hadiani; Shah, Syed Adnan Ali; Yousuf, Sammer","(<i>E</i>)-<i>N</i>'-(4-Chlorobenzylidene)-2-methoxybenzohydrazide","Acta Crystallographica Section E","2013","69","2","o276","","10.1107/S160053681300175X","","","0.71073","MoKα","","0.0622","0.0444","","","0.1105","0.1235","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237394","8.704","0.002","8.86","0.002","27.277","0.007","96.876","0.004","95.619","0.003","93.023","0.003","2073.9","0.9","140","1","140","1","","","","","","","","6","P -1","-P 1","2","","(4'-Ethynyl-2,2':6',2''-terpyridine)(2,2':6',2''-terpyridine)ruthenium(II) bis(hexafluoridophosphate) acetonitrile disolvate","","- C36 H28 F12 N8 P2 Ru -","- C36 H28 F12 N8 P2 Ru -","- C72 H56 F24 N16 P4 Ru2 -","2","1","SJ5287","Chen, Weizhong; Rein, Francisca N.; Scott, Brian L.; Rocha, Reginaldo C.","(4'-Ethynyl-2,2':6',2''-terpyridine)(2,2':6',2''-terpyridine)ruthenium(II) bis(hexafluoridophosphate) acetonitrile disolvate","Acta Crystallographica Section E","2013","69","2","m79","m80","10.1107/S1600536812051227","","","0.71073","MoKα","","0.1223","0.0844","","","0.2072","0.2277","","","","","","1.252","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237395","13.9605","0.0004","8.7564","0.0003","17.7055","0.0006","90","","104.381","0.002","90","","2096.57","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-Methyl-6-(piperidin-1-yl)pyrimidin-2-amine","","- C10 H16 N4 -","- C10 H16 N4 -","- C80 H128 N32 -","8","2","SJ5288","Sreenivasa, S.; ManojKumar, K. E.; Srinivasan, T.; Suchetan, P. A.; Palakshamurthy, B. S.; Velumurgan, D.","4-Methyl-6-(piperidin-1-yl)pyrimidin-2-amine","Acta Crystallographica Section E","2013","69","2","o197","","10.1107/S1600536812050982","","","0.71073","MoKα","","0.0723","0.0511","","","0.1566","0.1705","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237396","7.4591","0.0013","8.2178","0.0019","10.0087","0.0018","85.202","0.017","77.346","0.015","89.278","0.017","596.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-3-(1-Hydroxy-3-oxobut-1-enyl)-6-nitro-2<i>H</i>-chromen-2-one","","- C13 H9 N O6 -","- C13 H9 N O6 -","- C26 H18 N2 O12 -","2","1","SJ5289","Topno, Nishith Saurav; Tangeti, Venkataswamy; Rao, H. Surya Prakash; Krishna, R.","(<i>Z</i>)-3-(1-Hydroxy-3-oxobut-1-enyl)-6-nitro-2<i>H</i>-chromen-2-one","Acta Crystallographica Section E","2013","69","2","o284","","10.1107/S1600536812051872","","","0.71073","MoKα","","0.075","0.0479","","","0.1414","0.1696","","","","","","0.934","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237397","17.0456","0.0004","7.6026","0.0001","15.5113","0.0003","90","","113.513","0.001","90","","1843.22","0.06","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2,3-Difluorophenyl)(4-tosylpiperazin-1-yl)methanone","","- C18 H18 F2 N2 O3 S -","- C18 H18 F2 N2 O3 S -","- C72 H72 F8 N8 O12 S4 -","4","1","SJ5290","Sreenivasa, S.; ManojKumar, K. E.; Suchetan, P. A.; Tonannavar, J.; Chavan, Yashshwita; Palakshamurthy, B. S.","(2,3-Difluorophenyl)(4-tosylpiperazin-1-yl)methanone","Acta Crystallographica Section E","2013","69","2","o185","","10.1107/S1600536812051690","","","0.71073","MoKα","","0.0426","0.0333","","","0.0852","0.0922","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237398","14.464","0.003","6.7548","0.0015","21.381","0.005","90","","91.663","0.008","90","","2088.1","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(Octyloxy)phenyl 2-oxo-2<i>H</i>-chromene-3-carboxylate","","- C24 H26 O5 -","- C24 H26 O5 -","- C96 H104 O20 -","4","1","SJ5291","Palakshamurthy, B. S.; Sreenivasa, S.; Srinivasa, H. T.; Roopashree, K. R.; Devarajegowda, H. C.","4-(Octyloxy)phenyl 2-oxo-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2013","69","2","o212","","10.1107/S1600536813000214","","","0.71073","MoKα","","0.1271","0.0583","","","0.1248","0.1462","","","","","","0.937","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237399","10.627","0.002","14.986","0.002","15.19","0.003","90","","103.959","0.001","90","","2347.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[bis(μ~2~-1,4,7,10,13,16-hexaoxacyclooctadecane)dipotassium]-μ~2~-iodido-(iodidocadmium)-di-μ~2~-iodido-(iodidocadmium)-μ~2~-iodido]","","- C12 H24 Cd I3 K O6 -","- C12 H24 Cd I3 K O6 -","- C48 H96 Cd4 I12 K4 O24 -","4","1","SJ5295","Rajarajan, K.; Pugazhenthi, A.; NizamMohideen, M.","<i>catena</i>-Poly[[bis(μ~2~-1,4,7,10,13,16-hexaoxacyclooctadecane)dipotassium]-μ~2~-iodido-(iodidocadmium)-di-μ~2~-iodido-(iodidocadmium)-μ~2~-iodido]","Acta Crystallographica Section E","2013","69","2","m125","","10.1107/S1600536813002274","","","0.71073","MoKα","","0.0345","0.0277","","","0.062","0.0666","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237400","15.878","0.005","8.209","0.005","12.953","0.005","90","","91.016","0.005","90","","1688.1","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]benzenesulfonamide","","- C16 H14 Cl N3 O2 S -","- C16 H14 Cl N3 O2 S -","- C64 H56 Cl4 N12 O8 S4 -","4","1","SJ5296","Farrukh, Muhammad A.; Mohamed, Shaaban K.; Ahmed, Maqsood; Marzouk, Adel A.; El-Moghazy, Samir M.","4-[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]benzenesulfonamide","Acta Crystallographica Section E","2013","69","2","o295","o296","10.1107/S1600536813002134","","","0.71073","MoKα","","0.0618","0.0413","","","0.1019","0.1145","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237401","9.526","0.005","10.711","0.005","21.975","0.005","90","","97.397","0.005","90","","2223.5","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(6b<i>S</i>*,14<i>R</i>*,14a<i>R</i>*)-Methyl 14-(4-methylphenyl)-7-oxo-6b,6c,7,12b,14,14a-hexahydro-1<i>H</i>- pyrano[3,2-<i>c</i>:5,4-<i>c</i>']dichromene-14a-carboxylate","","- C28 H22 O6 -","- C28 H22 O6 -","- C112 H88 O24 -","4","1","SU2541","Ponnusamy, R.; Sabari, V.; Sivakumar, G.; Bakthadoss, M.; Aravindhan, S.","(6b<i>S</i>*,14<i>R</i>*,14a<i>R</i>*)-Methyl 14-(4-methylphenyl)-7-oxo-6b,6c,7,12b,14,14a-hexahydro-1<i>H</i>-pyrano[3,2-<i>c</i>:5,4-<i>c</i>']dichromene-14a-carboxylate","Acta Crystallographica Section E","2013","69","2","o267","o268","10.1107/S1600536813001244","","","0.71073","MoKα","","0.0702","0.0447","","","0.1159","0.1327","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237402","12.9342","0.0006","7.5591","0.0002","18.7138","0.0008","90","","105.44","0.002","90","","1763.63","0.12","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 6-ethoxy-3-phenyl-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a- carboxylate","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C80 H76 N4 O20 -","4","1","SU2543","Suresh, G.; Srinivasan, J.; Bakthadoss, M.; Aravindhan, S.","Methyl 6-ethoxy-3-phenyl-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","Acta Crystallographica Section E","2013","69","2","o180","","10.1107/S1600536812051720","","","0.71073","MoKα","","0.0591","0.042","","","0.11","0.1245","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237403","19.326","0.003","10.7866","0.0017","6.9072","0.0011","90","","90","","90","","1439.9","0.4","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(2-Methylphenyl)-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a- carbonitrile","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","1","SU2544","Suresh, G.; Srinivasan, J.; Bakthadoss, M.; Aravindhan, S.","3-(2-Methylphenyl)-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","Acta Crystallographica Section E","2013","69","2","o181","","10.1107/S1600536812051732","","","0.71073","MoKα","","0.1047","0.0594","","","0.1295","0.1464","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237404","11.2379","0.0003","23.7075","0.0006","9.457","0.0002","90","","90.809","0.001","90","","2519.31","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Diethyl [(2-chloroanilino)(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)methyl]phosphonate","","- C26 H27 Cl N3 O3 P -","- C26 H27 Cl N3 O3 P -","- C104 H108 Cl4 N12 O12 P4 -","4","1","SU2545","Suresh, G.; Nandakumar, A.; Sabari, V.; Perumal, P. T.; Aravindhan, S.","Diethyl [(2-chloroanilino)(1,3-diphenyl-1<i>H</i>-pyrazol-4-yl)methyl]phosphonate","Acta Crystallographica Section E","2013","69","2","o182","","10.1107/S1600536812051719","","","0.71073","MoKα","","0.0605","0.0445","","","0.117","0.1354","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237405","15.1034","0.0008","6.0676","0.0003","16.0865","0.001","90","","99.953","0.002","90","","1452","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8-Bromo-3-phenyl-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","","- C17 H11 Br N2 O2 -","- C17 H11 Br N2 O2 -","- C68 H44 Br4 N8 O8 -","4","1","SU2547","Suresh, G.; Srinivasan, J.; Bakthadoss, M.; Aravindhan, S.","8-Bromo-3-phenyl-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","Acta Crystallographica Section E","2013","69","2","o312","","10.1107/S1600536813002511","","","0.71073","MoKα","","0.0849","0.0474","","","0.0882","0.1023","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237406","43.0465","0.0015","5.7257","0.0002","18.2828","0.0006","90","","109.103","0.002","90","","4258","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-(4-Chlorophenyl)-1-cyclopropyl-2-(2-fluorophenyl)-3-phenylpentane-1,5-dione","","- C26 H22 Cl F O2 -","- C26 H22 Cl F O2 -","- C208 H176 Cl8 F8 O16 -","8","1","SU2549","Srinivasan, Thothadri; Senthilkumar, Govindaraj; Manikandan, Haridoss; Neelakandan, Kaliaperumal; Velmurugan, Devadasan","5-(4-Chlorophenyl)-1-cyclopropyl-2-(2-fluorophenyl)-3-phenylpentane-1,5-dione","Acta Crystallographica Section E","2013","69","2","o252","","10.1107/S1600536813001074","","","0.71073","MoKα","","0.0635","0.0446","","","0.1294","0.1455","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237407","11.4135","0.0004","11.6663","0.0005","13.581","0.0006","69.265","0.003","73.868","0.002","64.998","0.005","1515.11","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Chloro-8,8-dimethyl-8,9-dihydro-7<i>H</i>-chromeno[2,3-<i>b</i>]quinoline- 10,12-dione","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C72 H56 Cl4 N4 O12 -","4","2","SU2550","Srinivasan, Thothadri; Yuvaraj, Panneerselvam; Reddy, Boreddy S. R.; Velmurugan, Devadasan","2-Chloro-8,8-dimethyl-8,9-dihydro-7<i>H</i>-chromeno[2,3-<i>b</i>]quinoline-10,12-dione","Acta Crystallographica Section E","2013","69","2","o253","","10.1107/S1600536813001062","","","0.71073","MoKα","","0.0753","0.0526","","","0.1488","0.1673","","","","","","0.988","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237408","9.0188","0.0005","11.6415","0.0009","16.0068","0.0012","90","","100.737","0.002","90","","1651.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4,4'-Dibromo-[1,1'-biphenyl]-2-yl)benzamide","","- C19 H13 Br2 N O -","- C19 H13 Br2 N O -","- C76 H52 Br8 N4 O4 -","4","1","SU2551","Novina, J. Josephine; Vasuki, G.; Baheti, Abhishek; Thomas, K. R. Justin","<i>N</i>-(4,4'-Dibromo-[1,1'-biphenyl]-2-yl)benzamide","Acta Crystallographica Section E","2013","69","2","o222","","10.1107/S1600536813000597","","","0.71073","MoKα","","0.0681","0.0333","","","0.0648","0.0745","","","","","","1.008","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237409","8.9409","0.0017","9.5209","0.0018","14.323","0.003","106.973","0.004","92.373","0.004","113.778","0.004","1049.4","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","<i>rac</i>-Dichlorido[3-ethoxy-3-(1-ethyl-1<i>H</i>-benzimidazol-2-yl)-2,3- dihydro-1<i>H</i>-pyrrolo[1,2-<i>a</i>]benzimidazole]copper(II)","","- C21 H22 Cl2 Cu N4 O -","- C21 H22 Cl2 Cu N4 O -","- C42 H44 Cl4 Cu2 N8 O2 -","2","1","TK5184","Stibrany, Robert T.; Potenza, Joseph A.","<i>rac</i>-Dichlorido[3-ethoxy-3-(1-ethyl-1<i>H</i>-benzimidazol-2-yl)-2,3-dihydro-1<i>H</i>-pyrrolo[1,2-<i>a</i>]benzimidazole]copper(II)","Acta Crystallographica Section E","2013","69","2","m92","m93","10.1107/S1600536812051641","","","0.71073","MoKα","","0.0544","0.0437","","","0.1161","0.1241","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237410","7.657","0.003","15.799","0.005","17.425","0.006","90","","95.641","0.005","90","","2097.7","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5-(4- methylsulfanylbenzylidene)-1,3-thiazolidine-2,4-dione","","- C22 H18 F N O3 S2 -","- C22 H18 F N O3 S2 -","- C88 H72 F4 N4 O12 S8 -","4","1","TK5185","Suresh, J.; Venkateshan, M.; Ponnuchamy, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","3-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-5-(4-methylsulfanylbenzylidene)-1,3-thiazolidine-2,4-dione","Acta Crystallographica Section E","2013","69","2","o188","","10.1107/S1600536812051987","","","0.71073","MoKα","","0.0834","0.0472","","","0.1245","0.1489","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237411","13.5472","0.0002","14.4747","0.0004","35.7902","0.0006","90","","90","","90","","7018.2","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-[(2-Hydroxynaphthalen-1-yl)methylideneamino]-5,6,7,8-tetrahydro-4<i>H</i>-cyclohepta[<i>b</i>]thiophene-3-carbonitrile","","- C21 H18 N2 O S -","- C21 H18 N2 O S -","- C336 H288 N32 O16 S16 -","16","2","TK5186","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Sobahi, Tariq R.; Mustafa, Ghulam","2-[(2-Hydroxynaphthalen-1-yl)methylideneamino]-5,6,7,8-tetrahydro-4<i>H</i>-cyclohepta[<i>b</i>]thiophene-3-carbonitrile","Acta Crystallographica Section E","2013","69","2","o193","","10.1107/S160053681300007X","","","1.54184","CuKα","","0.0723","0.054","","","0.1441","0.1614","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237412","7.0972","0.0015","8.7025","0.0019","11.968","0.003","104.238","0.004","100.986","0.003","100.425","0.004","682.9","0.3","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","[μ-6,9-Bis(carboxylatomethyl)-3,12-bis(carboxymethyl)-3,6,9,12- tetraazatetradecanedioato]bis[aquacobalt(II)] tetrahydrate","","- C18 H38 Co2 N4 O18 -","- C18 H38 Co2 N4 O18 -","- C18 H38 Co2 N4 O18 -","1","0.5","TK5188","Qian, Qi-feng; Wu, Jin-hui; Qian, Jin-liang","[μ-6,9-Bis(carboxylatomethyl)-3,12-bis(carboxymethyl)-3,6,9,12-tetraazatetradecanedioato]bis[aquacobalt(II)] tetrahydrate","Acta Crystallographica Section E","2013","69","2","m97","","10.1107/S1600536813000196","","","0.71073","Mokα","","0.0793","0.0532","","","0.1076","0.1172","","","","","","0.939","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237413","7.6272","0.0001","10.8453","0.0002","11.8454","0.0002","106.08","0.0008","96.2976","0.0008","108.431","0.0009","872.05","0.03","100","0.5","100","0.5","101.3","","","","","","","2","P -1","-P 1","2","","1-[3-(Naphthalen-1-yl)phenyl]naphthalene","","- C26 H18 -","- C26 H18 -","- C52 H36 -","2","1","TK5189","Tummala, Manorama; Dhar, Raj K.; Fronczek, Frank R.; Watkins, Steven F.","1-[3-(Naphthalen-1-yl)phenyl]naphthalene","Acta Crystallographica Section E","2013","69","2","o307","","10.1107/S1600536813002407","","","0.71073","MoKα","","","0.05","","","","0.1384","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237414","6.377","0.002","6.642","0.002","12.979","0.005","79.669","0.01","79.963","0.011","64.911","0.008","486.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Hexaaquacobalt(II) 2,2'-[naphthalene-1,8-diylbis(oxy)]diacetate dihydrate","","- C14 H26 Co O14 -","- C14 H26 Co O14 -","- C14 H26 Co O14 -","1","0.5","VM2185","Shi, Hui Fang; Wu, Tao; Jiang, Peng Gang; Hao, Zhi; Zhang, Miao Miao","Hexaaquacobalt(II) 2,2'-[naphthalene-1,8-diylbis(oxy)]diacetate dihydrate","Acta Crystallographica Section E","2013","69","2","m103","m104","10.1107/S1600536813000512","","","0.71073","MoKα","","0.032","0.0308","","","0.0788","0.08","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237415","6.6907","0.0013","9.166","0.002","11.839","0.002","78.628","0.008","78.352","0.009","79.054","0.009","688.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","5-(2,5-Dioxooxolan-3-yl)-8-methyl-3,3a,4,5-tetrahydro-1<i>H</i>- naphtho[1,2-<i>c</i>]furan-1,3-dione","","- C17 H14 O6 -","- C17 H14 O6 -","- C34 H28 O12 -","2","1","VM2186","Guo, Y. Z.; Liu, J. G.; Yang, S. Y.","5-(2,5-Dioxooxolan-3-yl)-8-methyl-3,3a,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>c</i>]furan-1,3-dione","Acta Crystallographica Section E","2013","69","2","o226","","10.1107/S1600536813000482","","","0.71073","MoKα","","0.0499","0.0456","","","0.1096","0.1128","","","","","","1.074","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237416","24.1739","0.0016","13.5238","0.0008","18.8108","0.0013","90","","103.215","0.002","90","","5986.8","0.7","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","{Bis[<i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>'',<i>N</i>''-bis(trimethylsilyl)guanidinato-κ^2^<i>N</i>,<i>N</i>']neodymium(III)}di-μ-chlorido-[bis(tetrahydrofuran-κ<i>O</i>)lithium]","","- C46 H96 Cl2 Li N6 Nd O2 Si4 -","- C46 H96 Cl2 Li N6 Nd O2 Si4 -","- C184 H384 Cl8 Li4 N24 Nd4 O8 Si16 -","4","1","VN2064","Chi, Shu-Hui; Chen, Jue","{Bis[<i>N</i>,<i>N</i>'-dicyclohexyl-<i>N</i>'',<i>N</i>''-bis(trimethylsilyl)guanidinato-κ^2^<i>N</i>,<i>N</i>']neodymium(III)}di-μ-chlorido-[bis(tetrahydrofuran-κ<i>O</i>)lithium]","Acta Crystallographica Section E","2013","69","2","m121","","10.1107/S160053681300158X","","","0.71075","MoKα","","0.06","0.0505","","","0.1047","0.1106","","","","","","1.169","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237417","6.5948","0.0007","11.8018","0.0009","9.4692","0.0008","90","","96.52","0.01","90","","732.23","0.11","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trisodium aluminium bis(arsenate)","","- Al As2 Na3 O8 -","- Al As2 Na3 O8 -","- Al4 As8 Na12 O32 -","4","1","VN2065","Fakhar Bourguiba, Noura; Zid, Mohamed Faouzi; Driss, Ahmed","Na~3~Al(AsO~4~)~2~","Acta Crystallographica Section E","2013","69","2","i14","","10.1107/S1600536813002213","","","0.71073","MoKα","","0.0247","0.0217","","","0.0569","0.0584","","","","","","1.085","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2237418","10.765","0.001","11.883","0.002","14.574","0.001","110.275","0.003","95.028","0.001","94.97","0.001","1728.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[triaqua[3-(4-carboxyphenoxy)phthalato- κ<i>O</i>^2^]manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4,4'-bipyridine monosolvate dihydrate]","","- C35 H34 Mn N4 O12 -","- C35 H34 Mn N4 O12 -","- C70 H68 Mn2 N8 O24 -","2","1","WM2704","Sun, Wei","<i>catena</i>-Poly[[[triaqua[3-(4-carboxyphenoxy)phthalato-κ<i>O</i>^2^]manganese(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 4,4'-bipyridine monosolvate dihydrate]","Acta Crystallographica Section E","2013","69","2","m124","","10.1107/S1600536813000585","","","0.71069","MoKα","","0.0405","0.0335","","","0.0913","0.0953","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237419","7.2458","0.0001","22.2812","0.0002","9.6019","0.0001","90","","98.015","0.001","90","","1535.04","0.03","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetramethylammonium aquatrichloridooxalatostannate(IV) monohydrate","","- C6 H16 Cl3 N O6 Sn -","- C6 H16 Cl3 N O6 Sn -","- C24 H64 Cl12 N4 O24 Sn4 -","4","1","WM2712","Sow, Yaya; Diop, Libasse; Molloy, Kieran C.; Kociok-Köhn, Gabriele","Tetramethylammonium aquatrichloridooxalatostannate(IV) monohydrate","Acta Crystallographica Section E","2013","69","2","m106","m107","10.1107/S1600536813000895","","","0.71073","MoKα","","0.0333","0.0256","","","0.0588","0.0621","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237420","14.0928","0.0005","12.6455","0.0003","21.2684","0.0006","90","","90.667","0.002","90","","3790","0.19","119.8","0.6","119.8","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Acetonyltriphenylphosphonium nitrate","","- C21 H20 N O4 P -","- C21 H20 N O4 P -","- C168 H160 N8 O32 P8 -","8","1","WM2713","Diop, Tidiane; Diop, Libasse; Kučeráková, Monika; Dušek, Michal","Acetonyltriphenylphosphonium nitrate","Acta Crystallographica Section E","2013","69","2","o303","","10.1107/S1600536813002110","","","1.5418","CuKα","","0.0381","0.0331","","","0.091","0.0941","","","","","","1.63","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237421","8.9765","0.0013","7.6431","0.0008","9.3451","0.0014","90","","91.888","0.018","90","","640.8","0.15","293","2","293","2","","","","","","","","3","P 1 c 1","P -2yc","7","dihydronium tetrachromate","Dihydronium tetrachromate(VI)","","- Cr4 H6 O15 -","- Cr4 O15 -","- Cr8 O30 -","2","1","WM2714","Kulikov, Vladislav; Meyer, Gerd","Dihydronium tetrachromate(VI), (H~3~O)~2~Cr~4~O~13~","Acta Crystallographica Section E","2013","69","2","i13","","10.1107/S1600536813001608","","","0.71073","MoKα","","0.0432","0.04","","","0.1072","0.11","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237422","5.3599","0.0003","5.3599","0.0003","11.9425","0.0007","90","","90","","90","","343.09","0.03","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","lanthanum(III) molybdate(VI)","Lanthanum(III) <i>ortho</i>-tetraoxidomolybdate(VI)","","- La0.667 Mo O4 -","- La0.6676 Mo O4 -","- La2.6704 Mo4 O16 -","4","0.25","WM2715","Schustereit, Tanja; Schleid, Thomas; Hartenbach, Ingo","The defect scheelite-type lanthanum(III) <i>ortho</i>-oxidomolybdate(VI) La~0.667~[MoO~4~]","Acta Crystallographica Section E","2013","69","2","i7","","10.1107/S1600536813000731","","","0.71073","MoKα","","0.0339","0.0162","","","0.0289","0.0322","","","","","","0.982","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237423","8.6201","0.0004","8.6013","0.0004","14.7465","0.0007","90","","125.204","0.003","90","","893.39","0.08","290","1","290","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trilithium divanadium(III) tris(orthophosphate)","","- Li3 O12 P3 V2 -","- Li3 O12 P3 V2 -","- Li12 O48 P12 V8 -","4","1","WM2716","Kee, Yongho; Yun, Hoseop","Reinvestigation of trilithium divanadium(III) tris(orthophosphate), Li~3~V~2~(PO~4~)~3~, based on single-crystal X-ray data","Acta Crystallographica Section E","2013","69","2","i11","i12","10.1107/S1600536813001499","","","0.71073","MoKα","","0.0301","0.0242","","","","0.062","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237424","11.9233","0.0009","9.0768","0.0007","8.1737","0.0006","90","","90","","90","","884.6","0.12","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Dipotassium trichloridostannate(II) chloride monohydrate","","- Cl4 H2 K2 O Sn -","- Cl4 H2 K2 O Sn -","- Cl16 H8 K8 O4 Sn4 -","4","0.5","WM2717","Ye, Fei; Reuter, Hans","Redetermination of dipotassium trichloridostannate(II) chloride monohydrate","Acta Crystallographica Section E","2013","69","2","i10","","10.1107/S1600536813001372","","","0.71073","MoKα","","0.0152","0.0126","","","0.0271","0.0279","","","","","","1.116","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237425","7.8823","0.0002","12.7467","0.0002","13.6851","0.0003","90","","91.918","0.001","90","","1374.22","0.05","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquacobalt(II)","","- C10 H12 Co N6 O6 -","- C10 H12 Co N6 O6 -","- C40 H48 Co4 N24 O24 -","4","0.5","WM2721","Bouchene, Rafika; Bouacida, Sofiane; Berrah, Fadila; Belhouas, Ratiba; Merazig, Hocine","Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquacobalt(II)","Acta Crystallographica Section E","2013","69","2","m129","m130","10.1107/S1600536813002183","","","0.71073","MoKα","","0.0636","0.034","","","0.0773","0.0824","","","","","","0.919","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237426","9.099","0.003","12.199","0.004","13.566","0.005","90","","104.905","0.005","90","","1455.1","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-4-Bromo-<i>N</i>-{(<i>Z</i>)-3-[(4-bromo-2,6- diisopropylphenyl)imino]butan-2-ylidene}-2,6-diisopropylaniline","","- C28 H38 Br2 N2 -","- C28 H38 Br2 N2 -","- C56 H76 Br4 N4 -","2","0.5","XU5664","Zhang, Cun; Wu, Guo-Fan; Huang, Bao-Mei; Lu, Xiao-Quan","(<i>Z</i>)-4-Bromo-<i>N</i>-{(<i>Z</i>)-3-[(4-bromo-2,6-diisopropylphenyl)imino]butan-2-ylidene}-2,6-diisopropylaniline","Acta Crystallographica Section E","2013","69","2","o216","","10.1107/S160053681205194X","","","0.71073","MoKα","","0.114","0.0524","","","0.14","0.1787","","","","","","0.939","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237427","13.625","0.013","7.495","0.007","17.029","0.017","90","","90","","90","","1739","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-4-Bromo-<i>N</i>-{(<i>E</i>)-3-[(4-bromo-2- methylphenyl)imino]butan-2-ylidene}-2-methylaniline","","- C18 H18 Br2 N2 -","- C18 H18 Br2 N2 -","- C72 H72 Br8 N8 -","4","0.5","XU5666","Yao, Jin-Li; Zhang, Xu; Li, Hong-Yan; Ye, Jian-Qing","(<i>E</i>)-4-Bromo-<i>N</i>-{(<i>E</i>)-3-[(4-bromo-2-methylphenyl)imino]butan-2-ylidene}-2-methylaniline","Acta Crystallographica Section E","2013","69","2","o199","","10.1107/S1600536812052087","","","0.71073","MoKα","","0.1264","0.0523","","","0.0884","0.1134","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237428","9.17","0.0008","10.3863","0.001","11.9412","0.0011","98.133","0.007","90.854","0.006","91.841","0.007","1125.07","0.18","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2-(2-Hydroxy-2-phenylethyl)-1-methylcyclopropan-1-ol","","- C12 H16 O2 -","- C12 H16 O2 -","- C48 H64 O8 -","4","2","XU5667","Mao, Hui; Tu, Ya-Wei; Li, Shi-Kun; Wang, Xiao-Juan; Wang, Peng-Peng","2-(2-Hydroxy-2-phenylethyl)-1-methylcyclopropan-1-ol","Acta Crystallographica Section E","2013","69","2","o189","","10.1107/S1600536812051768","","","0.71073","MoKα","","0.1497","0.0695","","","0.2026","0.2487","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237429","8.557","0.007","9.212","0.008","9.367","0.008","91.18","0.014","96.215","0.014","111.136","0.014","683.2","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,2',2''-nitrilotriacetamide-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')nickel(II) dinitrate tetrahydrate","","- C12 H32 N10 Ni O16 -","- C12 H32 N10 Ni O16 -","- C12 H32 N10 Ni O16 -","1","0.5","XU5668","Deng, Xiao-Hui; Nie, Qi-Jun; Zhu, Feng-Juan","Bis(2,2',2''-nitrilotriacetamide-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')nickel(II) dinitrate tetrahydrate","Acta Crystallographica Section E","2013","69","2","m89","","10.1107/S160053681205177X","","","0.71073","MoKα","","0.0336","0.0317","","","0.087","0.0883","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237430","8.144","0.0003","12.308","0.0004","12.417","0.0004","86.894","0.003","75.163","0.003","79.529","0.003","1183.06","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Diaqua(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)magnesium‒ 18-crown-6 (1/1)","Diaqua(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)magnesium‒ 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)","","- C56 H56 Mg N4 O8 -","- C56 H56 Mg N4 O8 -","- C56 H56 Mg N4 O8 -","1","0.5","XU5669","Ezzayani, Khaireddine; Nasri, Soumaya; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib","Diaqua(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)magnesium‒18-crown-6 (1/1)","Acta Crystallographica Section E","2013","69","2","m114","m115","10.1107/S1600536813001219","","","0.71073","MoKα","","0.0518","0.0444","","","0.1131","0.1184","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237431","17.094","0.002","5.4175","0.0007","16.31","0.002","90","","95.545","0.011","90","","1503.3","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Phenyl acridine-9-carboxylate","","- C20 H13 N O2 -","- C20 H13 N O2 -","- C80 H52 N4 O8 -","4","1","XU5671","Wera, Michał; Trzybiński, Damian; Krzymiński, Karol; Błażejowski, Jerzy","Phenyl acridine-9-carboxylate","Acta Crystallographica Section E","2013","69","2","o305","","10.1107/S1600536813002055","","","0.71073","MoKα","","0.1155","0.0729","","","0.1716","0.2031","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237432","9.5934","0.0007","9.2266","0.0007","10.3565","0.0007","90","","96.172","0.004","90","","911.39","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","3,3'-dideoxy-myxochelin A","(<i>S</i>)-2,2'-Dihydroxy-<i>N</i>,<i>N</i>'-(6-hydroxyhexane- 1,5-diyl)dibenzamide","","- C20 H24 N2 O5 -","- C20 H24 N2 O5 -","- C40 H48 N4 O10 -","2","1","YK2084","Wilbrand, Sabine; Neis, Christian; Hegetschweiler, Kaspar","(<i>S</i>)-2,2'-Dihydroxy-<i>N</i>,<i>N</i>'-(6-hydroxyhexane-1,5-diyl)dibenzamide","Acta Crystallographica Section E","2013","69","2","o223","","10.1107/S1600536813000354","","","0.71073","MoKα","","0.0355","0.0309","","","0.0734","0.0759","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237433","7.1236","0.0016","11.6305","0.0002","13.5496","0.0004","90","","90","","90","","1122.6","0.3","99.98","0.1","99.98","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II)","","","- C8 H10 Co N4 O6 -","- C8 H10 Co N4 O6 -","- C32 H40 Co4 N16 O24 -","4","0.5","ZJ2099","Artetxe, Beñat; San Felices, Leire; Pache, Aroa; Reinoso, Santiago; Gutiérrez-Zorrilla, Juan M.","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>)cobalt(II)","Acta Crystallographica Section E","2013","69","2","m94","","10.1107/S1600536813000330","","","0.71073","MoKα","","0.0332","0.0273","","","0.06","0.0629","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237434","5.6732","0.0004","23.257","0.002","7.4516","0.0005","90","","97.743","0.007","90","","974.21","0.13","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-Phenyl(pyridin-2-yl)methanone oxime","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","ZJ2100","Rodríguez-Mora, Monserrath I.; Reyes-Martínez, Reyna; Flores-Alamo, Marcos; García, Juventino J.; Morales-Morales, David","A second monoclinic polymorph of (<i>E</i>)-phenyl(pyridin-2-yl)methanone oxime","Acta Crystallographica Section E","2013","69","2","o310","","10.1107/S1600536813002377","","","0.71073","MoKα","","0.0557","0.0417","","","0.0971","0.1068","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237435","11.3123","0.0012","4.7907","0.0004","15.1697","0.0016","90","","101.834","0.003","90","","804.63","0.14","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(1<i>E</i>,4<i>E</i>)-1,5-Bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one","","- C19 H12 F6 O -","- C19 H12 F6 O -","- C38 H24 F12 O2 -","2","1","ZL2522","Park, Dong Ho; Ramkumar, V.; Parthiban, P.","(1<i>E</i>,4<i>E</i>)-1,5-Bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one","Acta Crystallographica Section E","2013","69","2","o177","","10.1107/S1600536812051586","","","0.71073","MoKα","","0.0589","0.0366","","","0.0821","0.0956","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237436","11.8871","0.0009","31.824","0.002","18.5168","0.0014","90","","95.88","0.001","90","","6968","0.9","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","μ-2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine-bis[(2,2':6',2''- terpyridine)ruthenium(II)] tetrakis(hexafluoridophosphate) acetonitrile tetrasolvate","","- C62 H50 F24 N16 P4 Ru2 -","- C62 H50 F24 N16 P4 Ru2 -","- C248 H200 F96 N64 P16 Ru8 -","4","1","ZL2523","Jude, Hershel; Scott, Brian L.; Rocha, Reginaldo C.","μ-2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine-bis[(2,2':6',2''-terpyridine)ruthenium(II)] tetrakis(hexafluoridophosphate) acetonitrile tetrasolvate","Acta Crystallographica Section E","2013","69","2","m81","m82","10.1107/S1600536812051215","","","0.71073","MoKα","","0.082","0.0452","","","0.0888","0.1021","","","","","","1.103","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237437","5.843","0.002","9.383","0.003","10.126","0.004","97.209","0.012","96.014","0.013","100.703","0.019","536.5","0.3","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","1,4,6,9-Tetra-<i>tert</i>-butyl-2,7-dioxatricyclo[6.3.0.0^3,6^]deca-3,8-diene","","- C24 H40 O2 -","- C24 H40 O2 -","- C24 H40 O2 -","1","0.5","ZL2528","Sorensen, Ted S.; Humayaun Kabir, S. M; Parvez, Masood","1,4,6,9-Tetra-<i>tert</i>-butyl-2,7-dioxatricyclo[6.3.0.0^3,6^]deca-3,8-diene","Acta Crystallographica Section E","2013","69","2","o204","","10.1107/S1600536813000147","","","0.71073","MoKα","","0.054","0.0408","","","0.0977","0.1043","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237438","9.7825","0.0006","10.6075","0.0006","16.8215","0.001","90","","90","","90","","1745.53","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-bac amine","<i>tert</i>-Butyl 4-(3,4-dichloroanilino)piperidine-1-carboxylate","","- C16 H22 Cl2 N2 O2 -","- C16 H22 Cl2 N2 O2 -","- C64 H88 Cl8 N8 O8 -","4","1","ZL2529","Mehr-un-Nisa; Munawar, Munawar Ali; Hall, Gabriel B.; Roberts, Sue A.; Hruby, Victor J.","<i>tert</i>-Butyl 4-(3,4-dichloroanilino)piperidine-1-carboxylate","Acta Crystallographica Section E","2013","69","2","o205","","10.1107/S1600536812051896","","","0.71073","MoKα","","0.0454","0.0339","","","0.0739","0.0786","","","","","","0.996","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237439","17.7622","0.0004","16.1667","0.0003","17.3787","0.0004","90","","98.045","0.001","90","","4941.29","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-Pentamethyl-<i>N</i>''-[3-(trimethylazaniumyl)propyl]guanidinium bis(tetraphenylborate)","","- C60 H70 B2 N4 -","- C60 H70 B2 N4 -","- C240 H280 B8 N16 -","4","1","ZL2530","Tiritiris, Ioannis","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-Pentamethyl-<i>N</i>''-[3-(trimethylazaniumyl)propyl]guanidinium bis(tetraphenylborate)","Acta Crystallographica Section E","2013","69","2","o292","","10.1107/S1600536813001992","","","0.71073","MoKα","","0.0727","0.0445","","","0.0947","0.1078","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237440","11.248","0.0003","11.524","0.0003","14.164","0.0004","90.543","0.002","108.178","0.001","118.826","0.001","1499.73","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","<i>rac</i>-[2-(Dicyclohexylphosphanyl)phenyl](phenyl)phosphinic diisopropylamide‒borane hemihydrate","","- C60 H98 B2 N2 O3 P4 -","- C60 H98 B2 N2 O3 P4 -","- C60 H98 B2 N2 O3 P4 -","1","0.5","ZQ2191","Evans, Stephen J.; Renison, C. Alicia; Williams, D. Bradley G.; Muller, Alfred","<i>rac</i>-[2-(Dicyclohexylphosphanyl)phenyl](phenyl)phosphinic diisopropylamide‒borane hemihydrate","Acta Crystallographica Section E","2013","69","2","o282","o283","10.1107/S1600536813001839","","","0.71069","MoKα","","0.0777","0.0501","","","","0.1336","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237441","16.1206","0.0012","9.372","0.0007","14.6367","0.0011","90","","90","","90","","2211.3","0.3","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Poly[bis(μ~2~-5-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}tetrazolato)zinc]","","- C22 H18 N12 Zn -","- C22 H18 N12 Zn -","- C88 H72 N48 Zn4 -","4","0.5","ZQ2192","Song, Zhe","Poly[bis(μ~2~-5-{4-[(1<i>H</i>-imidazol-1-yl)methyl]phenyl}tetrazolato)zinc]","Acta Crystallographica Section E","2013","69","2","m85","","10.1107/S1600536812050672","","","0.71073","MoKα","","0.0323","0.0285","","","0.0786","0.0813","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237442","6.6362","0.0008","11.384","0.003","13.022","0.003","99.64","0.03","103.61","0.02","92.44","0.017","939.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1<i>H</i>-Benzotriazol-1-yl 4-{(<i>E</i>)-[4-(dimethylamino)phenyl]diazenyl}benzoate","","- C21 H18 N6 O2 -","- C21 H18 N6 O2 -","- C42 H36 N12 O4 -","2","1","ZQ2193","El-Ghayoury, Abdelkrim; Zorina, Leokadiya; Khouili, Mostafa","1<i>H</i>-Benzotriazol-1-yl 4-{(<i>E</i>)-[4-(dimethylamino)phenyl]diazenyl}benzoate","Acta Crystallographica Section E","2013","69","2","o262","","10.1107/S1600536813000846","","","0.71073","MoKα","","0.1586","0.0619","","","0.1088","0.142","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237443","5.6434","0.0004","9.2179","0.0006","16.5472","0.0009","90","","101.782","0.003","90","","842.65","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>S</i>,4<i>R</i>)-2-[(1<i>R</i>)-1-(4-Bromophenyl)-2-nitroethyl]- 4-ethylcyclohexanone","","- C16 H20 Br N O3 -","- C16 H20 Br N O3 -","- C32 H40 Br2 N2 O6 -","2","1","ZQ2194","Zhang, Chi-Xiao; Zhang, Yan-Peng; Xia, Ai-Bao","(2<i>S</i>,4<i>R</i>)-2-[(1<i>R</i>)-1-(4-Bromophenyl)-2-nitroethyl]-4-ethylcyclohexanone","Acta Crystallographica Section E","2013","69","2","o263","","10.1107/S1600536813001426","","","0.71073","MoKα","","0.1233","0.0555","","","0.1306","0.1754","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237444","20.327","0.002","14.756","0.0015","18.9759","0.0019","90","","113.14","0.002","90","","5233.8","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","α-acetyl-α-parachlorobenzoylmethylenetris(<i>p</i>-tolyl)phosphorane","1-(4-Chlorophenyl)-2-[tris(4-methylphenyl)-λ^5^-phosphanylidene]butane- 1,3-dione","","- C31 H28 Cl O2 P -","- C31 H28 Cl O2 P -","- C248 H224 Cl8 O16 P8 -","8","1","ZS2244","Sabounchei, Seyyed Javad; Shahriary, Parisa; Hosseini Fashami, Faegheh; Morales-Morales, David; Hernandez-Ortega, Simon","1-(4-Chlorophenyl)-2-[tris(4-methylphenyl)-λ^5^-phosphanylidene]butane-1,3-dione","Acta Crystallographica Section E","2013","69","2","o183","","10.1107/S1600536812051689","","","0.71073","MoKα","","0.0569","0.0397","","","0.0937","0.0985","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237445","7.7529","0.0004","11.279","0.0007","11.7563","0.0011","117.232","0.003","98.475","0.003","101.301","0.002","862.6","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-4a,10-<i>cis</i>,10b,5c-<i>trans</i>-5-(7-Methyl-2-oxo-2<i>H</i>-chromen-4-yl)-3,4,4a,5,6,10b-hexahydro-2<i>H</i>-pyrano[3,2-<i>c</i>]quinoline","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C44 H42 N2 O6 -","2","1","ZS2247","Kayalvizhi, M.; Vasuki, G.; Samant, Shriniwas D.; Sanap, Kailas K.","<i>rac</i>-4a,10b-<i>cis</i>,10b,5c-<i>trans</i>-5-(7-Methyl-2-oxo-2<i>H</i>-chromen-4-yl)-3,4,4a,5,6,10b-hexahydro-2<i>H</i>-pyrano[3,2-<i>c</i>]quinoline","Acta Crystallographica Section E","2013","69","2","o280","","10.1107/S1600536813001876","","","0.71073","MoKα","","0.079","0.0545","","","0.1484","0.1767","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237446","10.6848","0.0003","10.6848","0.0003","47.9935","0.0017","90","","90","","90","","5479.2","0.3","147","2","147","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","2,2'-[(1<i>S</i>,2<i>S</i>)-1,2-Bis(2-hydroxyphenyl)ethane-1,2-diyl]bis(isoindoline-1,3-dione) ethanol monosolvate hemihydrate","","- C32 H27 N2 O7.5 -","- C32 H27 N2 O7.5 -","- C256 H216 N16 O60 -","8","1","AA2082","Chin, Jik; Koh, Dongsoo; Lough, Alan J.","2,2'-[(1<i>S</i>,2<i>S</i>)-1,2-Bis(2-hydroxyphenyl)ethane-1,2-diyl]bis(isoindoline-1,3-dione) ethanol monosolvate hemihydrate","Acta Crystallographica Section E","2013","69","3","o406","o407","10.1107/S1600536813003978","","","1.54178","CuKα","","0.0289","0.0287","","","0.0751","0.0754","","","","","","1.12","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237447","9.414","0.001","14.226","0.002","9.551","0.001","90","","117.26","0.007","90","","1137","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(Pyridine-2-aldoximato-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","","- C28 H21 Ir N4 O -","- C28 H21 Ir N4 O -","- C56 H42 Ir2 N8 O2 -","2","1","BG2497","Pal, Satyanarayan; Singh, Bimal Chandra","(Pyridine-2-aldoximato-κ^2^<i>N</i>,<i>N</i>')bis[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)","Acta Crystallographica Section E","2013","69","3","m159","","10.1107/S1600536813004297","","","0.71073","MoKα","","0.0479","0.0366","","","0.0595","0.0627","","","","","","0.964","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237448","14.53","0.0015","16.819","0.0014","13.8491","0.0017","90","","111.656","0.013","90","","3145.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(1<i>H</i>-Benzimidazol-2-yl)iminomethyl]-4,6-dibromophenol ethanol hemisolvate","","- C30 H24 Br4 N6 O3 -","- C30 H24 Br4 N6 O3 -","- C120 H96 Br16 N24 O12 -","4","1","BH2461","Liu, Jie; Liu, Zheng; Yuan, Shuai","2-[(1<i>H</i>-Benzimidazol-2-yl)iminomethyl]-4,6-dibromophenol ethanol hemisolvate","Acta Crystallographica Section E","2013","69","3","o362","","10.1107/S1600536813002031","","","0.71073","MoKα","","0.089","0.051","","","0.1133","0.1333","","","","","","1.034","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237449","12.1455","0.0003","3.9884","0.0001","14.3837","0.0004","90","","90","","90","","696.76","0.03","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","BaEr2S4","Barium dierbium(III) tetrasulfide","","- Ba Er2 S4 -","- Ba Er2 S4 -","- Ba4 Er8 S16 -","4","0.5","BR2222","Mesbah, Adel; Stojko, Wojciech; Ibers, James. A","Barium dierbium(III) tetrasulfide","Acta Crystallographica Section E","2013","69","3","i17","","10.1107/S1600536813003541","","","0.71073","MoKα","","0.0169","0.0166","","","0.0491","0.0502","","","","","","1.866","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237450","8.2088","0.0005","8.4755","0.0005","13.7031","0.0008","80.669","0.003","81.832","0.003","76.681","0.003","910","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-[1-(4-Methylphenyl)-2-nitrobutyl]-4-phenyl-1,2,3-selenadiazole","","- C19 H19 N3 O2 Se -","- C19 H19 N3 O2 Se -","- C38 H38 N6 O4 Se2 -","2","1","BT6877","Sugumar, P.; Sankari, S.; Manisankar, P.; Ponnuswamy, M. N.","5-[1-(4-Methylphenyl)-2-nitrobutyl]-4-phenyl-1,2,3-selenadiazole","Acta Crystallographica Section E","2013","69","3","o430","","10.1107/S1600536813004662","","","0.71073","MoKα","","0.0462","0.0314","","","0.0769","0.0825","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237451","27.2997","0.0015","9.7923","0.0006","15.8557","0.001","90","","90","","90","","4238.7","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Methyl (1<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxo-2<i>H</i>-dispiro[acenaphthylene-1,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C208 H176 N16 O32 -","8","1","BT6885","Ganesh, Gnanavelu; Yuvaraj, PanneerSelvam; Kannan, Piskala Subburaman; Reddy, Boreddy Siva Rami; SubbiahPandi, Arunachalathevar","A diastereomer of methyl (1<i>R</i>,3'<i>S</i>)-1',1''-dimethyl-2,2''-dioxo-2<i>H</i>-dispiro[acenaphthylene-1,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","Acta Crystallographica Section E","2013","69","3","o441","","10.1107/S1600536813004868","","","0.71073","MoKα","","0.0916","0.0467","","","0.1117","0.1354","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237452","7.8847","0.0004","8.0627","0.0004","12.6526","0.0005","102.78","0.003","99.936","0.004","92.58","0.004","769.76","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>cis</i>-Chlorido(ethylamine)bis(propane-1,3-diamine)cobalt(III) dichloride","","- C8 H27 Cl3 Co N5 -","- C8 H27 Cl3 Co N5 -","- C16 H54 Cl6 Co2 N10 -","2","1","BT6888","Maheshwaran, Velusamy; Thiruselvam, Viswanathan; Manjunathan, Munisamy; Anbalagan, Krishnamoorthy; Ponnuswamy, Mondikalipudur Nanjappa Gounder","<i>cis</i>-Chlorido(ethylamine)bis(propane-1,3-diamine)cobalt(III) dichloride","Acta Crystallographica Section E","2013","69","3","m170","m171","10.1107/S1600536813004650","","","0.71073","MoKα","","0.0319","0.0249","","","0.0587","0.0601","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237453","10.903","0.0005","11.8792","0.0005","22.4457","0.001","90","","93.963","0.003","90","","2900.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 11-hydroxy-9-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-18-oxo-10-oxa-2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12(17),13,15-triene-8-carboxylate","","- C34 H32 N2 O7 -","- C34 H32 N2 O7 -","- C136 H128 N8 O28 -","4","1","BT6889","Suhitha, Sivasubramanian; Srinivasan, Thothadri; Rajesh, Raju; Raghunathan, Raghavachary; Velmurugan, Devadasan","Methyl 11-hydroxy-9-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-18-oxo-10-oxa-2-azapentacyclo[9.7.0.0^1,8^.0^2,6^.0^12,17^]octadeca-12(17),13,15-triene-8-carboxylate","Acta Crystallographica Section E","2013","69","3","o438","o439","10.1107/S1600536813004789","","","0.71073","MoKα","","0.0744","0.0465","","","0.111","0.1267","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237454","9.0976","0.0006","16.9797","0.0011","17.2713","0.0009","62.59","0.002","88.44","0.002","78.092","0.002","2310.4","0.2","293","2","295","2","","","","","","","","3","P -1","-P 1","2","","(3<i>E</i>)-11,16-Dioxatricyclo[15.4.0.0^5,10^]henicosa-1(21),3,5,7,9,17,19- heptaen-2-one","","- C19 H14 O3 -","- C19 H18.001 O3.001 -","- C114 H108.006 O18.006 -","6","3","BX2434","Ganesh, Gnanavelu; Purushothaman, Santhanagopalan; Kannan, Piskala Subburaman; Raghunathan, Raghavachary; SubbiahPandi, Arunachalathevar","(3<i>E</i>)-11,16-Dioxatricyclo[15.4.0.0^5,10^]henicosa-1(21),3,5,7,9,17,19-heptaen-2-one","Acta Crystallographica Section E","2013","69","3","o442","","10.1107/S1600536813000299","","","0.71073","MoKα","","0.0905","0.0445","","","0.112","0.1431","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237455","12.5963","0.0008","14.301","0.0008","9.8693","0.0008","90","","108.672","0.008","90","","1684.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-(2,5-Difluorobenzyl)[(2-ethoxynaphthalen-1-yl)methylidene]amine","","- C20 H17 F2 N O -","- C20 H17 F2 N O -","- C80 H68 F8 N4 O4 -","4","1","CV5376","Pekdemir, Merve; Işık, Şamil; Macit, Mustafa; Alaman Ağar, Ayşen; Soylu, Mustafa Serkan","(<i>E</i>)-(2,5-Difluorobenzyl)[(2-ethoxynaphthalen-1-yl)methylidene]amine","Acta Crystallographica Section E","2013","69","3","o361","","10.1107/S1600536813001967","","","0.71073","MoKα","","0.0869","0.0583","","","0.1307","0.151","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237456","14.1341","0.0016","14.1341","0.0016","14.1341","0.0016","90","","90","","90","","2823.6","0.6","295","2","295","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","Poly[tris(dimethylformamide)(μ~3~-2,4,6-triiodobenzene-1,3,5-tricarboxylato)samarium(III)]","","- C18 H21 I3 N3 O9 Sm -","- C18 H21 I3 N3 O9 Sm -","- C72 H84 I12 N12 O36 Sm4 -","4","0.333333","CV5378","Yan, Bin; Sheng, Daopeng; Yang, Yanzhao","Poly[tris(dimethylformamide)(μ~3~-2,4,6-triiodobenzene-1,3,5-tricarboxylato)samarium(III)]","Acta Crystallographica Section E","2013","69","3","m149","","10.1107/S1600536813003358","","","0.71073","MoKα","","0.0233","0.021","","","0.0475","0.049","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237457","5.679","0.001","7.326","0.0012","35.02","0.004","93.74","0.01","91.877","0.006","94.436","0.001","1448.5","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","(4-Methoxyphenyl)(4-propylcyclohexyl)methanone","","- C17 H24 O2 -","- C17 H24 O2 -","- C68 H96 O8 -","4","2","CV5385","Wang, Ling; Chang, Zi-Qian; Zhang, Jie; Li, Cheng-Min","(4-Methoxyphenyl)(4-propylcyclohexyl)methanone","Acta Crystallographica Section E","2013","69","3","o404","","10.1107/S1600536813003644","","","0.71075","MoKα","","0.0566","0.0448","","","0.1193","0.1292","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237458","27.447","0.013","8.886","0.004","28.861","0.014","90","","98.348","0.008","90","","6964","6","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(5-Bromo-2-chlorophenyl)-2,2-dichloro-1-(4-ethoxyphenyl)cyclopropane","","- C17 H14 Br Cl3 O -","- C17 H14 Br Cl3 O -","- C272 H224 Br16 Cl48 O16 -","16","2","CV5386","Han, Shuwen; Shi, Yongheng; Yuli, Wang; Zhao, Guilong; Xu, Weiren","1-(5-Bromo-2-chlorophenyl)-2,2-dichloro-1-(4-ethoxyphenyl)cyclopropane","Acta Crystallographica Section E","2013","69","3","o405","","10.1107/S1600536813003735","","","0.71073","MoKα","","0.0811","0.0674","","","0.1688","0.1801","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237459","26.1146","0.0013","9.6961","0.0004","20.5638","0.0009","90","","121.592","0.0015","90","","4435.3","0.4","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2,2'-[3-(4-Fluorophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C25 H29 F O4 -","- C25 H29 F O4 -","- C200 H232 F8 O32 -","8","1","CV5387","Cha, Joo Hwan; Min, Sun-Joon; Cho, Yong Seo; Lee, Jae Kyun; Park, Junghwan","(<i>E</i>)-2,2'-[3-(4-Fluorophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section E","2013","69","3","o397","","10.1107/S1600536813004364","","","0.71075","MoKα","","","0.048","","","","0.158","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237460","12.1588","0.0009","10.4087","0.0008","16.3165","0.0012","90","","92.72","0.001","90","","2062.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{[(1<i>Z</i>)-3-Chloro-1<i>H</i>-isoindol-1-ylidene]methyl}dimethylamine","","- C11 H11 Cl N2 -","- C11 H11 Cl N2 -","- C88 H88 Cl8 N16 -","8","2","CV5388","Wang, Zhao-Yun; Yu, Chang-Jiang","{[(1<i>Z</i>)-3-Chloro-1<i>H</i>-isoindol-1-ylidene]methyl}dimethylamine","Acta Crystallographica Section E","2013","69","3","o448","","10.1107/S160053681300500X","","","0.71073","MoKα","","0.0375","0.0323","","","0.0871","0.0923","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237461","7.9801","0.0008","18.9087","0.0014","12.6222","0.001","90","","104.279","0.0009","90","","1845.8","0.3","203","2","203","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>anti</i>-2,2,3,3,6,6,7,7,10,10,11,11,14,14,15,15-Hexadecamethyl-2,3,6,7,10,11,14,15-octasilapentacyclo[10.4.2.2^4,9^.0^5,8^.0^13,16^]icosa-1(17),4,8,12(18),13(16),19-hexaene","","- C28 H52 Si8 -","- C28 H52 Si8 -","- C56 H104 Si16 -","2","0.5","DS2224","Toma, Yuki; Otsuka, Kyohei; Kyushin, Soichiro","<i>anti</i>-2,2,3,3,6,6,7,7,10,10,11,11,14,14,15,15-Hexadecamethyl-2,3,6,7,10,11,14,15-octasilapentacyclo[10.4.2.2^4,9^.0^5,8^.0^13,16^]icosa-1(17),4,8,12(18),13(16),19-hexaene","Acta Crystallographica Section E","2013","69","3","o341","","10.1107/S1600536813002584","","","0.71073","MoKα","","0.0293","0.0291","","","0.0754","0.0756","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237462","12.697","0.005","9.179","0.005","7.662","0.005","90","0.005","123.315","0.005","90","0.005","746.2","0.7","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4-Dinitrophenylhydrazine","","- C6 H6 N4 O4 -","- C6 H6 N4 O4 -","- C24 H24 N16 O16 -","4","1","DS2226","Amimoto, Kiichi; Nishiguchi, Hiromitsu","A polymorph of 2,4-dinitrophenylhydrazine","Acta Crystallographica Section E","2013","69","3","o425","","10.1107/S1600536813004571","","","0.71069","MoKα","","0.0271","0.027","","","","0.0722","","","","","","1.062","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237463","16.109","0.002","7.2931","0.0011","12.8708","0.0017","90","","90","","90","","1512.1","0.4","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","4-(1<i>H</i>-Tetrazol-5-yl)benzene-1,3-diol","","- C7 H6 N4 O2 -","- C7 H6 N4 O2 -","- C56 H48 N32 O16 -","8","1","FF2096","Kim, Youngjo","4-(1<i>H</i>-Tetrazol-5-yl)benzene-1,3-diol","Acta Crystallographica Section E","2013","69","3","o380","","10.1107/S160053681300411X","","","0.71073","MoKα","","0.1431","0.0568","","","0.1189","0.1676","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237464","4.6082","0.0003","10.4219","0.0006","26.4468","0.0017","90","","90.428","0.001","90","","1270.1","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(3-Nitrobenzyl)-4<i>H</i>-chromen-4-one","","- C16 H11 N O4 -","- C16 H11 N O4 -","- C64 H44 N4 O16 -","4","1","FF2097","Gopaul, Kaalin; Koorbanally, Neil Anthony; Shaikh, Mahidansha; Su, Hong; Ramjugernath, Deresh","3-(3-Nitrobenzyl)-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2013","69","3","o364","","10.1107/S1600536813003589","","","0.71073","MoKα","","0.0691","0.0469","","","0.1229","0.1379","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237465","7.454","0.003","8.07","0.004","12.078","0.005","81.449","0.01","74.676","0.01","88.062","0.013","692.9","0.5","93","","93","","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Bis(4-nitrophenyl)acetamide","","- C14 H11 N3 O5 -","- C14 H11 N3 O5 -","- C28 H22 N6 O10 -","2","1","FF2098","Nanaura, Kokichi; Okuno, Tsunehisa","<i>N</i>,<i>N</i>-Bis(4-nitrophenyl)acetamide","Acta Crystallographica Section E","2013","69","3","o457","","10.1107/S1600536813005175","","","0.71075","MoKα","","","0.0526","","","","0.1384","","","","","","1.063","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237466","18.4688","0.001","11.294","0.0006","10.9676","0.0005","90","","96.082","0.005","90","","2274.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 6-(6-methoxynaphthalen-2-yl)-4-(naphthalen-2-yl)-2-oxocyclohex-3-ene-1-carboxylate","","- C30 H26 O4 -","- C30 H26 O4 -","- C120 H104 O16 -","4","1","FJ2612","Kaur, Manpreet; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Mayekar, Anil N.","Ethyl 6-(6-methoxynaphthalen-2-yl)-4-(naphthalen-2-yl)-2-oxocyclohex-3-ene-1-carboxylate","Acta Crystallographica Section E","2013","69","3","o352","","10.1107/S1600536813002857","","","1.54184","CuKα","","0.0709","0.0548","","","0.1559","0.1661","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237467","7.9103","0.0005","8.6054","0.0007","11.8779","0.0007","92.834","0.006","92.448","0.005","115.822","0.007","725.06","0.1","123.01","0.1","123.01","0.1","","","","","","","","3","P -1","-P 1","2","","Methyl 3',4',5'-trimethoxybiphenyl-4-carboxylate","","- C17 H18 O5 -","- C17 H18 O5 -","- C34 H36 O10 -","2","1","FJ2614","Lahtinen, Manu; Nättinen, Kalle; Nummelin, Sami","Methyl 3',4',5'-trimethoxybiphenyl-4-carboxylate","Acta Crystallographica Section E","2013","69","3","o383","","10.1107/S1600536813004133","","","1.5418","CuKα","","0.0364","0.0341","","","0.0937","0.096","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237468","14.7121","0.0015","17.5133","0.0019","28.912","0.003","90","","90","","90","","7449.4","1.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5,17-Diformyl-25,26,27,28-tetrapropoxycalix[4]arene","","- C42 H48 O6 -","- C42 H48 O6 -","- C336 H384 O48 -","8","1","FJ2615","Li, Zhengyi; Ma, Hongzhao; Lai, Yuan; Chen, Liang; Sun, Xiaoqiang","5,17-Diformyl-25,26,27,28-tetrapropoxycalix[4]arene","Acta Crystallographica Section E","2013","69","3","o424","","10.1107/S1600536813004625","","","0.71073","MoKα","","0.1179","0.0655","","","0.1903","0.22","","","","","","1.001","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237469","6.099","0.0009","7.1622","0.0016","16.2408","0.0018","96.589","0.014","91.472","0.011","112.493","0.018","649.3","0.2","123.01","0.1","123.01","0.1","","","","","","","","3","P -1","-P 1","2","","Methyl 3',5'-dimethoxybiphenyl-4-carboxylate","","- C16 H16 O4 -","- C16 H16 O4 -","- C32 H32 O8 -","2","1","FJ2616","Lahtinen, Manu; Nättinen, Kalle; Nummelin, Sami","Methyl 3',5'-dimethoxybiphenyl-4-carboxylate","Acta Crystallographica Section E","2013","69","3","o460","","10.1107/S1600536813005333","","","1.5418","CuKα","","0.0477","0.0399","","","0.1021","0.1106","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237470","5.4849","0.0011","14.302","0.002","18.354","0.003","111.4","0.02","90.35","0.02","94.03","0.02","1336.4","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1,4-Bis(pyridin-4-yl)buta-1,3-diyne‒1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane (1/1)","","- C22 H8 F16 I2 N2 -","- C22 H8 F16 I2 N2 -","- C44 H16 F32 I4 N4 -","2","1","FY2080","Cavallo, Gabriella; Marras, Giovanni; Metrangolo, Pierangelo; Pilati, Tullio; Terraneo, Giancarlo","The halogen-bonded adduct 1,4-bis(pyridin-4-yl)buta-1,3-diyne‒1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-1,8-diiodooctane (1/1)","Acta Crystallographica Section E","2013","69","3","o328","o329","10.1107/S1600536813001888","","","0.71073","MoKα","","0.053","0.0386","","","0.1047","0.1135","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237471","12.333","0.0009","18.2182","0.0014","18.149","0.0014","90","","97.253","0.001","90","","4045.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-μ-oxido-κ^2^<i>O</i>:<i>O</i>'-bis[<i>cis</i>-(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')-<i>trans</i>-(pyridine-κ<i>N</i>)ruthenium(III)] bis(hexafluoridophosphate)","","- C34 H32 F12 N6 O5 P2 Ru2 -","- C34 H32 F12 N6 O5 P2 Ru2 -","- C136 H128 F48 N24 O20 P8 Ru8 -","4","1","GG2109","Ido, Yohei; Fujihara, Takashi; Nagasawa, Akira","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-μ-oxido-κ^2^<i>O</i>:<i>O</i>'-bis[<i>cis</i>-(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')-<i>trans</i>-(pyridine-κ<i>N</i>)ruthenium(III)] bis(hexafluoridophosphate)","Acta Crystallographica Section E","2013","69","3","m145","m146","10.1107/S1600536813003334","","","0.71073","MoKα","","0.031","0.024","","","0.0601","0.0632","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237472","5.4854","0.0003","7.3498","0.0005","12.1871","0.0007","90","","90","","90","","491.34","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3-Methylenedihydrofuran-2,5-dione","3-Methylideneoxolane-2,5-dione","","- C5 H4 O3 -","- C5 H4 O3 -","- C20 H16 O12 -","4","1","GG2110","Beginn, Uwe; Frosinn, Martin; Reichelt, Martin; Reuter, Hans","3-Methylideneoxolane-2,5-dione","Acta Crystallographica Section E","2013","69","3","o321","","10.1107/S1600536813002924","","","0.71073","MoKα","","0.0324","0.0258","","","0.062","0.0648","","","","","","1.101","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237473","9.799","0.0002","10.7316","0.0004","13.7395","0.0004","110.797","0.003","100.338","0.002","96.323","0.002","1304.81","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 4-(4-fluoroanilino)-1,2,6-tris(4-fluorophenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate","","- C31 H24 F4 N2 O2 -","- C31 H24 F4 N2 O2 -","- C62 H48 F8 N4 O4 -","2","1","GK2551","Anthal, Sumati; Brahmachari, Goutam; Das, Suvankar; Kant, Rajni; Gupta, Vivek K.","Methyl 4-(4-fluoroanilino)-1,2,6-tris(4-fluorophenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2013","69","3","o373","o374","10.1107/S160053681300370X","","","0.71073","MoKα","","0.0731","0.0461","","","0.1052","0.1184","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237474","14.7196","0.0002","8.4891","0.0001","28.1096","0.0004","90","","90","","90","","3512.47","0.08","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H16 F2 N6 O5 -","- C16 H16 F2 N6 O5 -","- C128 H128 F16 N48 O40 -","8","1","GK2552","Kastelic, Jože; Kikelj, Danijel; Leban, Ivan; Lah, Nina","Fluconazole‒malonic acid (1/1)","Acta Crystallographica Section E","2013","69","3","o378","o379","10.1107/S1600536813003656","","","0.71073","MoKα","","0.0575","0.0382","","","0.0898","0.0997","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237475","10.9512","0.0002","15.883","0.0003","11.2184","0.0002","90","","92.46","0.001","90","","1949.51","0.06","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2,7-Dimethoxynaphthalen-1-yl)(4-phenoxyphenyl)methanone","","- C25 H20 O4 -","- C25 H20 O4 -","- C100 H80 O16 -","4","1","GK2553","Sasagawa, Kosuke; Sakamoto, Rei; Hijikata, Daichi; Yonezawa, Noriyuki; Okamoto, Akiko","(2,7-Dimethoxynaphthalen-1-yl)(4-phenoxyphenyl)methanone","Acta Crystallographica Section E","2013","69","3","o440","","10.1107/S1600536813004820","","","1.54187","CuKα","","0.0406","0.0373","","","0.0946","0.0974","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237476","10.0851","0.0006","12.434","0.0008","14.2414","0.001","113.405","0.006","102.233","0.005","101.194","0.005","1522.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 2,6-bis(4-chlorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate","","- C34 H32 Cl2 N2 O2 -","- C34 H32 Cl2 N2 O2 -","- C68 H64 Cl4 N4 O4 -","2","1","GK2555","Anthal, Sumati; Brahmachari, Goutam; Das, Suvankar; Kant, Rajni; Gupta, Vivek K.","Ethyl 2,6-bis(4-chlorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2013","69","3","o454","o455","10.1107/S1600536813005126","","","0.71073","MoKα","","0.1481","0.0529","","","0.0804","0.1093","","","","","","0.893","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237477","8.875","0.003","17.266","0.005","9.174","0.003","90","","95.401","0.015","90","","1399.5","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-Methoxybenzoyl)-6-nitrocoumarin","","- C17 H11 N O6 -","- C17 H11 N O6 -","- C68 H44 N4 O24 -","4","1","GO2080","Vazquez-Rodriguez, Saleta; Uriarte, Eugenio; Santana, Lourdes","3-(4-Methoxybenzoyl)-6-nitrocoumarin","Acta Crystallographica Section E","2013","69","3","o345","","10.1107/S1600536813002948","","","0.7107","MoKα","","0.0651","0.0431","","","0.1111","0.1258","","","","","","0.914","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237478","8.3184","0.0004","13.1554","0.0006","12.0452","0.0005","90","","109.959","0.005","90","","1238.96","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Acetamidophenoxy)-2-methylpropanoic acid","","- C12 H15 N O4 -","- C12 H15 N O4 -","- C48 H60 N4 O16 -","4","1","GW2131","Navarrete-Vázquez, Gabriel; Colín-Lozano, Blanca; Tlahuext, Hugo; Tapia-Benavides, Antonio R.","2-(4-Acetamidophenoxy)-2-methylpropanoic acid","Acta Crystallographica Section E","2013","69","3","o443","","10.1107/S1600536813004856","","","0.71073","MoKα","","0.0497","0.0365","","","0.0897","0.098","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237479","8.59506","0.00018","9.4435","0.0002","18.264","0.0004","90","","92.614","0.002","90","","1480.9","0.05","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,3'-(1-Oxopropane-1,3-diyl)bis(1,3-thiazolidine-2-thione) chlorobenzene hemisolvate","","- C12 H14.5 Cl0.5 N2 O S4 -","- C9 H12 N2 O S4 -","- C36 H48 N8 O4 S16 -","4","1","HB7002","Franzel, Christine; Purdy, Andrew; Butcher, Ray J.","3,3'-(1-Oxopropane-1,3-diyl)bis(1,3-thiazolidine-2-thione) chlorobenzene hemisolvate","Acta Crystallographica Section E","2013","69","3","o375","","10.1107/S1600536813003292","","","1.54184","CuKα","","0.05","0.0436","","","0.1118","0.1156","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237480","17.55","0.003","8.0828","0.0012","15.425","0.002","90","","100.558","0.002","90","","2151","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(1,3-dimethylimidazolidin-2-one)(μ~2~-2,5-dioxidoterephthalato)zirconium(IV)]","","- C18 H22 N4 O8 Zr -","- C18 H22 N4 O8 Zr -","- C72 H88 N16 O32 Zr4 -","4","0.5","HB7025","Maercz, Matthias; Wragg, David Stephen; Dietzel, Pascal Daniel Croumbie; Fjellvåg, Helmer","Poly[bis(1,3-dimethylimidazolidin-2-one)(μ~2~-2,5-dioxidoterephthalato)zirconium(IV)]","Acta Crystallographica Section E","2013","69","3","m152","","10.1107/S1600536813003449","","","0.71073","MoKα","","0.0539","0.0377","","","0.0871","0.0956","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237481","18.761","0.002","8.4049","0.001","14.8816","0.0017","90","","102.239","0.001","90","","2293.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(IV)]","","- C20 H26 N4 O8 Zr -","- C20 H26 N4 O8 Zr -","- C80 H104 N16 O32 Zr4 -","4","0.5","HB7026","Maercz, Matthias; Wragg, David Stephen; Dietzel, Pascal Daniel Croumbie; Fjellvåg, Helmer","Poly[bis(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(IV)]","Acta Crystallographica Section E","2013","69","3","m153","","10.1107/S1600536813003437","","","0.71073","MoKα","","0.0445","0.0377","","","0.0911","0.0961","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237482","11.608","0.002","24.157","0.004","11.354","0.002","90","","114.38","0.002","90","","2899.9","0.9","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis{2-bromo-4-chloro-6-[(<i>E</i>)-(2,6-dimethylphenyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}cobalt(II)","","- C30 H24 Br2 Cl2 Co N2 O2 -","- C30 H24 Br2 Cl2 Co N2 O2 -","- C120 H96 Br8 Cl8 Co4 N8 O8 -","4","1","HB7032","Zhu, Gang; Jiao, Bao-Juan","Bis{2-bromo-4-chloro-6-[(<i>E</i>)-(2,6-dimethylphenyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>}cobalt(II)","Acta Crystallographica Section E","2013","69","3","m156","","10.1107/S1600536813003747","","","0.71073","MoKα","","0.053","0.0438","","","0.1126","0.1194","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237483","13.2407","0.0017","11.9355","0.0016","9.8644","0.0013","90","","101.158","0.001","90","","1529.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}cobalt(II)","","- C36 H28 Co N10 O2 -","- C36 H28 Co N10 O2 -","- C72 H56 Co2 N20 O4 -","2","0.5","HB7033","Li, Bin","Diaquabis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}cobalt(II)","Acta Crystallographica Section E","2013","69","3","m141","","10.1107/S1600536813003243","","","0.71073","MoKα","","0.0571","0.046","","","0.1291","0.1386","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237484","8.7813","0.0012","9.5432","0.0013","11.977","0.0015","80.722","0.002","78.531","0.002","70.181","0.002","920.6","0.2","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-<i>N</i>-[2-(<i>N</i>'-Hydroxycarbamimidoyl)phenyl]acetamide","","- C9 H11 N3 O2 -","- C9 H11 N3 O2 -","- C36 H44 N12 O8 -","4","2","HB7034","Fun, Hoong-Kun; Ooi, Chin Wei; Dinesha; Viveka, S.; Nagaraja, G.K.","(<i>Z</i>)-<i>N</i>-[2-(<i>N</i>'-Hydroxycarbamimidoyl)phenyl]acetamide","Acta Crystallographica Section E","2013","69","3","o370","o371","10.1107/S1600536813003371","","","0.71073","MoKα","","0.0525","0.0421","","","0.1089","0.1156","","","","","","1.068","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237485","5.6155","0.0004","9.9804","0.0007","11.7302","0.0009","79.532","0.006","78.508","0.006","83.55","0.006","631.54","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,2-Dibenzylhydrazin-1-ium chloride","","- C14 H17 Cl N2 -","- C14 H17 Cl N2 -","- C28 H34 Cl2 N4 -","2","1","HB7036","Tayamon, Shahedeh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.","2,2-Dibenzylhydrazin-1-ium chloride","Acta Crystallographica Section E","2013","69","3","o382","","10.1107/S1600536813003966","","","1.5418","CuKα","","0.0565","0.0467","","","0.1199","0.1294","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237486","4.9346","0.0002","11.7542","0.0006","11.9727","0.0005","90","","96.782","0.003","90","","689.58","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-Fluoroanthranilic acid","2-Amino-5-fluorobenzoic acid","","- C7 H6 F N O2 -","- C7 H6 F N O2 -","- C28 H24 F4 N4 O8 -","4","1","HB7040","Sreenivasa, S.; ManojKumar, K.E.; Suchetan, P.A.; Palakshamurthy, B. S.; Gunasekaran, K.","2-Amino-5-fluorobenzoic acid","Acta Crystallographica Section E","2013","69","3","o387","","10.1107/S160053681300408X","","","0.71073","MoKα","","0.0382","0.034","","","0.0967","0.1004","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237487","12.7408","0.0014","7.852","0.0009","14.4194","0.0018","90","","115.163","0.014","90","","1305.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Dimethylamino-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","1","HB7042","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Farahat, Abdelbasset A.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Dimethylamino-1-(4-methoxyphenyl)-2,5-dioxo-2,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","Acta Crystallographica Section E","2013","69","3","o437","","10.1107/S1600536813004893","","","0.71073","MoKα","","0.0996","0.0535","","","0.1285","0.1525","","","","","","1.037","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237488","10.0815","0.0007","10.2956","0.0007","10.5403","0.0007","71.013","0.006","78.697","0.005","70.412","0.006","969.99","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-1-(2-Methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one","","- C24 H19 N O S -","- C24 H19 N O S -","- C48 H38 N2 O2 S2 -","2","1","HB7043","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-1-(2-Methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","3","o426","o427","10.1107/S1600536813004753","","","0.71073","MoKα","","0.0637","0.0478","","","0.1205","0.1352","","","","","","1.03","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237489","5.4114","0.0002","10.7602","0.0004","15.1837","0.0005","90","","90","","90","","884.11","0.05","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(2-Nitrophenylsulfinyl)acetonitrile","","- C8 H6 N2 O3 S -","- C8 H6 N2 O3 S -","- C32 H24 N8 O12 S4 -","4","1","HB7044","Benmebarek, Sabrina; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocine","2-(2-Nitrophenylsulfinyl)acetonitrile","Acta Crystallographica Section E","2013","69","3","o432","","10.1107/S1600536813004832","","","0.71073","MoKα","","0.0303","0.0269","","","0.0657","0.0695","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237490","10.5414","0.0011","4.9335","0.0006","20.0943","0.0019","90","","99.127","0.01","90","","1031.79","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]quinazoline-5(4<i>H</i>)-thione","","- C10 H8 N4 S2 -","- C10 H8 N4 S2 -","- C40 H32 N16 S8 -","4","1","HB7045","Al-Salahi, Rashad; Marzouk, Mohamed; Al-Omar, Mohamed A.; Amr, Abd El-Galil E.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Methylsulfanyl-1,2,4-triazolo[1,5-<i>a</i>]quinazoline-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2013","69","3","o434","","10.1107/S1600536813004881","","","0.71073","MoKα","","0.0645","0.0399","","","0.0877","0.0975","","","","","","0.933","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237491","7.232","0.0003","10.4857","0.0006","18.9398","0.001","90","","90","","90","","1436.25","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Quinolin-8-ol-κ^2^<i>N</i>,<i>O</i>)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)silver(I)","","- C18 H13 Ag N2 O2 -","- C18 H13 Ag N2 O2 -","- C72 H52 Ag4 N8 O8 -","4","1","HG5282","Jia, Zhen-Bin; Zhao, Yi; Wen, Qiu-Jia; Ma, Ai-Qing","The non-centrosymmetric polymorph of (quinolin-8-ol-κ^2^<i>N</i>,<i>O</i>)(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)silver(I)","Acta Crystallographica Section E","2013","69","3","m133","","10.1107/S160053681300281X","","","0.71073","MoKα","","0.0338","0.0274","","","0.0545","0.0569","","","","","","1.078","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237492","14.196","0.0007","4.805","0.0002","22.128","0.001","90","","90.653","0.001","90","","1509.29","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-bromo-3-ethoxycarbonylamino-1-benzofuran-2-carboxylate","","- C14 H14 Br N O5 -","- C14 H14 Br N O5 -","- C56 H56 Br4 N4 O20 -","4","1","HG5285","Karunakar, Prashantha; Krishnamurthy, V.; Girija, C. R.; Krishna, V.; Vaidya, V. P.; Yamuna, A. J.","Ethyl 5-bromo-3-ethoxycarbonylamino-1-benzofuran-2-carboxylate","Acta Crystallographica Section E","2013","69","3","o342","","10.1107/S1600536813002997","","","0.71073","MoKα","","0.0606","0.0377","","","0.0886","0.1023","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237493","17.2064","0.0008","20.7984","0.0009","15.6102","0.0007","90","","101.213","0.004","90","","5479.7","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3,4-Dichlorophenyl)-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro- 1<i>H</i>-pyrazol-4-yl)acetamide","","- C19 H17 Cl2 N3 O2 -","- C19 H17 Cl2 N3 O2 -","- C228 H204 Cl24 N36 O24 -","12","3","HG5286","Mahan, Aneeka; Butcher, Ray J.; Nayak, Prakash S.; Narayana, B.; Yathirajan, H. S.","2-(3,4-Dichlorophenyl)-<i>N</i>-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)acetamide","Acta Crystallographica Section E","2013","69","3","o402","o403","10.1107/S1600536813002341","","","0.71073","MoKα","","0.2322","0.1194","","","0.2654","0.3448","","","","","","1.024","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237494","15.325","0.002","7.1744","0.0009","17.965","0.002","90","","93.577","0.009","90","","1971.4","0.4","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","(±)-(4a<i>R</i>,5<i>R</i>,8<i>S</i>,8a<i>R</i>)-8-(<i>tert</i>-Butyldimethylsilyloxy)-2,5,8a-trimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione","","- C19 H30 O3 Si -","- C19 H30 O3 Si -","- C76 H120 O12 Si4 -","4","1","HG5287","Delling, Felix N.; Zukerman-Schpector, Julio; Brocksom, Timothy J.; Brocksom, Ursula; Finelli, Fernanda G.; Tiekink, Edward R. T.","(±)-(4a<i>R</i>,5<i>R</i>,8<i>S</i>,8a<i>R</i>)-8-(<i>tert</i>-Butyldimethylsilyloxy)-2,5,8a-trimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione","Acta Crystallographica Section E","2013","69","3","o325","","10.1107/S1600536813002973","","","0.71073","MoKα","","0.2472","0.0621","","","0.1182","0.1653","","","","","","0.925","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237495","7.613","0.002","5.7513","0.0015","31.085","0.009","90","","94.674","0.004","90","","1356.5","0.6","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4-Ethylcyclohexyl)(4-methoxyphenyl)methanone","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","HG5288","Ding, Chun-Lei; Wu, Yong-Jie; Zhang, Yi; Zhou, Li","(4-Ethylcyclohexyl)(4-methoxyphenyl)methanone","Acta Crystallographica Section E","2013","69","3","o348","","10.1107/S1600536813003279","","","0.71073","MoKα","","0.0656","0.0498","","","0.1273","0.1393","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237496","8.3015","0.0007","8.3053","0.0007","14.4374","0.0013","97.18","0.007","92.644","0.007","118.996","0.009","857.25","0.15","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","2-(2,4-Dichlorophenoxymethyl)-5-(4-methylphenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","","- C18 H13 Cl2 N3 O S -","- C18 H13 Cl2 N3 O S -","- C36 H26 Cl4 N6 O2 S2 -","2","1","HG5290","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(2,4-Dichlorophenoxymethyl)-5-(4-methylphenyl)imidazo[2,1-<i>b</i>][1,3,4]thiadiazole","Acta Crystallographica Section E","2013","69","3","o377","","10.1107/S160053681300384X","","","0.71073","MoKα","","0.0784","0.0478","","","0.1345","0.1718","","","","","","0.983","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237497","14.4154","0.001","11.3197","0.0009","9.5575","0.0008","90","","103.991","0.008","90","","1513.3","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C17 H16 F N3 S -","- C17 H16 F N3 S -","- C68 H64 F4 N12 S4 -","4","1","HG5291","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Khidre, Rizk E.; Ng, Seik Weng; Tiekink, Edward R. T.","5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2013","69","3","o385","o386","10.1107/S1600536813004194","","","0.71073","MoKα","","0.0775","0.0465","","","0.1021","0.1222","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237498","5.7563","0.0003","24.1214","0.0012","15.1827","0.0008","90","","90.948","0.005","90","","2107.83","0.19","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-phenyl-1,3-thiazole","","- C25 H20 F N3 S -","- C25 H20 F N3 S -","- C100 H80 F4 N12 S4 -","4","2","HG5292","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-phenyl-1,3-thiazole","Acta Crystallographica Section E","2013","69","3","o392","o393","10.1107/S1600536813004339","","","0.71073","MoKα","","0.0854","0.0477","","","0.0958","0.117","","","","","","0.991","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237499","14.5402","0.0009","11.27","0.0008","9.5169","0.0006","90","","103.85","0.006","90","","1514.17","0.18","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C16 H13 Cl F N3 S -","- C16 H13 Cl F N3 S -","- C64 H52 Cl4 F4 N12 S4 -","4","1","HG5293","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2013","69","3","o414","o415","10.1107/S1600536813004492","","","0.71073","MoKα","","0.0622","0.0413","","","0.0925","0.1109","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237500","11.1295","0.0009","11.5764","0.0008","13.3989","0.0011","96.176","0.006","112.9","0.008","96.533","0.006","1558","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)-1-(2,4-Dimethylquinolin-3-yl)-3-phenylprop-2-en-1-one","","- C20 H17 N O -","- C20 H17 N O -","- C80 H68 N4 O4 -","4","2","HG5294","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-1-(2,4-Dimethylquinolin-3-yl)-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2013","69","3","o428","o429","10.1107/S1600536813004765","","","0.71073","MoKα","","0.14","0.0656","","","0.1478","0.1895","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237501","13.1543","0.0014","16.811","0.0018","9.3672","0.0012","90","","96.628","0.01","90","","2057.6","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-amino-4-(4-bromophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate","","- C23 H20 Br N O4 -","- C23 H20 Br N O4 -","- C92 H80 Br4 N4 O16 -","4","1","HG5295","El-Agrody, Ahmed M.; Fouda, Ahmed M.; Al-Omar, Mohamed A.; Amr, Abd El-Galil E.; Ng, Seik Weng; Tiekink, Edward R. T.","Ethyl 2-amino-4-(4-bromophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2013","69","3","o435","o436","10.1107/S160053681300490X","","","0.71073","MoKα","","0.1256","0.0596","","","0.1278","0.1642","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237502","10.292","0.0005","12.5518","0.0006","22.5857","0.0009","90","","90","","90","","2917.7","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1,3-Dimethyl-1<i>H</i>-1,2,3-benzotriazol-3-ium tetrachloridoferrate(III)","","- C8 H10 Cl4 Fe N3 -","- C8 H10 Cl4 Fe N3 -","- C64 H80 Cl32 Fe8 N24 -","8","1","HY2615","Sun, Zan; Hu, Dong-Cheng; Liu, Jia-Cheng","1,3-Dimethyl-1<i>H</i>-1,2,3-benzotriazol-3-ium tetrachloridoferrate(III)","Acta Crystallographica Section E","2013","69","3","m148","","10.1107/S1600536813003711","","","0.71073","MoKα","","0.0923","0.0566","","","0.1516","0.1825","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237503","7.3052","0.001","11.7997","0.0017","13.5156","0.0019","90","","90","","90","","1165","0.3","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II)","","- C8 H10 Mn N4 O6 -","- C8 H10 Mn N4 O6 -","- C32 H40 Mn4 N16 O24 -","4","0.5","HY2616","Xiong, Zhi-Yong; Li, Lin; Zhao, Xiang-Jie; Chen, Hai-Ming","Diaquabis(1<i>H</i>-imidazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)manganese(II)","Acta Crystallographica Section E","2013","69","3","m172","","10.1107/S1600536813004091","","","0.71073","MoKα","","0.0451","0.0388","","","0.1026","0.109","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237504","9.561","0.004","10.594","0.005","12.436","0.005","107.095","0.007","102.454","0.006","106.551","0.006","1090.7","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[bis{μ~2~-1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene}(μ~4~- 9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)dicobalt(II)] monohydrate]","","- C46 H36 Co2 N8 O12 -","- C46 H36 Co2 N8 O12 -","- C46 H36 Co2 N8 O12 -","1","0.5","IM2380","Sheng, Xiao-Li; Xu, Duo-Hui; Cai, Bin; Liu, Jian-Lan","Poly[[bis{μ~2~-1,2-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene}(μ~4~-9,10-dioxo-9,10-dihydroanthracene-1,4,5,8-tetracarboxylato)dicobalt(II)] dihydrate]","Acta Crystallographica Section E","2013","69","3","m136","","10.1107/S160053681202716X","","","0.71073","MoKα","","0.0375","0.0324","","","0.0871","0.0905","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237505","9.7126","0.0003","11.593","0.0003","12.5989","0.0005","115.013","0.002","107.126","0.002","97.431","0.001","1174.6","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Diethyl 1,8-diphenyl-11-oxatricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene-9,10-dicarboxylate","","- C28 H26 O5 -","- C28 H26 O5 -","- C56 H52 O10 -","2","1","IM2416","Balakrishnan, B.; Nandakumar, Meganathan; Seshadri, P. R.; Mohanakrishnan, Arasambattu K.","Diethyl 1,8-diphenyl-11-oxatricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene-9,10-dicarboxylate","Acta Crystallographica Section E","2013","69","3","o323","","10.1107/S1600536813002791","","","0.71073","MoKα","","0.054","0.0411","","","0.1","0.11","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237506","12.309","0.002","17.189","0.003","8.1837","0.0013","90","","101.632","0.008","90","","1695.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Chloro-4-[2-(4-chlorobenzylidene)hydrazinylidene]-1-methyl-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","","- C16 H13 Cl2 N3 O2 S -","- C16 H13 Cl2 N3 O2 S -","- C64 H52 Cl8 N12 O8 S4 -","4","1","IM2417","Ahmad, Saeed; Shafiq, Muhammad; Tahir, M. Nawaz; Harrison, William T. A.; Khan, Islam Ullah","3-Chloro-4-[2-(4-chlorobenzylidene)hydrazinylidene]-1-methyl-3,4-dihydro-1<i>H</i>-2λ^6^,1-benzothiazine-2,2-dione","Acta Crystallographica Section E","2013","69","3","o422","o423","10.1107/S1600536813004443","","","0.71073","MoKα","","0.1258","0.0559","","","0.1109","0.1398","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237507","24.701","0.002","4.853","0.0004","25.063","0.002","90","","95.321","0.003","90","","2991.5","0.4","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","5-Amino-6-methylquinolin-1-ium hydrogen malonate‒malonic acid (2/1)","5-Amino-6-methylquinolin-1-ium 2-carboxyacetate‒malonic acid (2/1)","","- C29 H32 N4 O12 -","- C29 H32 N4 O12 -","- C116 H128 N16 O48 -","4","0.5","IS5233","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","5-Amino-6-methylquinolin-1-ium hydrogen malonate‒malonic acid (2/1)","Acta Crystallographica Section E","2013","69","3","o319","o320","10.1107/S1600536813002547","","","0.71073","MoKα","","0.0719","0.0455","","","0.1113","0.13","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237508","22.3118","0.0015","15.2053","0.001","7.4166","0.0005","90","","100.924","0.001","90","","2470.5","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-6-methylpyridinium 3-chlorobenzoate","","- C13 H13 Cl N2 O2 -","- C13 H13 Cl N2 O2 -","- C104 H104 Cl8 N16 O16 -","8","1","IS5234","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-6-methylpyridinium 3-chlorobenzoate","Acta Crystallographica Section E","2013","69","3","o318","","10.1107/S1600536813002559","","","0.71073","MoKα","","0.0735","0.0449","","","0.1107","0.1284","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237509","29.0274","0.0016","14.5512","0.0008","5.8686","0.0003","90","","90","","90","","2478.8","0.2","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","5-Chloro-2-(4-methoxyphenyl)-1,3-benzothiazole","","- C14 H10 Cl N O S -","- C14 H10 Cl N O S -","- C112 H80 Cl8 N8 O8 S8 -","8","1","IS5237","Yousuf, Sammer; Shah, Shazia; Ambreen, Nida; Khan, Khalid M.; Ahmad, Shakil","5-Chloro-2-(4-methoxyphenyl)-1,3-benzothiazole","Acta Crystallographica Section E","2013","69","3","o360","","10.1107/S1600536813001955","","","0.71073","MoKα","","0.0849","0.0761","","","0.2004","0.2081","","","","","","1.149","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237510","7.9969","0.0001","9.1336","0.0001","14.774","0.0002","96.22","0.001","105.43","0.001","105.06","0.001","986.05","0.02","100","","100","0.1","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-2-[4-(Diethylamino)styryl]-1-ethylpyridinium iodide monohydrate","","- C19 H27 I N2 O -","- C19 H27 I N2 O -","- C38 H54 I2 N4 O2 -","2","1","IS5238","Chantrapromma, Suchada; Boonnak, Nawong; Kaewmanee, Narissara; Quah, Ching Kheng; Fun, Hoong-Kun","(<i>E</i>)-2-[4-(Diethylamino)styryl]-1-ethylpyridinium iodide monohydrate","Acta Crystallographica Section E","2013","69","3","o458","o459","10.1107/S160053681300528X","","","0.71073","MoKα","","0.0302","0.025","","","0.0528","0.0548","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237511","12.5649","0.001","19.0531","0.0014","7.493","0.0006","90","","103.932","0.003","90","","1741.1","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-3-(2-(2-hydroxyethoxy)ferrocenyl)-1-phenylprop-2-en-1-one","(<i>E</i>)-1-Ferrocenyl-3-[2-(2-hydroxyethoxy)phenyl]prop-2-en-1-one","","- C21 H20 Fe O3 -","- C21 H20 Fe O3 -","- C84 H80 Fe4 O12 -","4","1","IS5242","Paramasivam, S.; Purushothaman, Santhanagopalan; Seshadri, P. R.; Raghunathan, Raghavachary","(<i>E</i>)-1-Ferrocenyl-3-[2-(2-hydroxyethoxy)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2013","69","3","m144","","10.1107/S1600536813003395","","","0.71073","MoKα","","0.0455","0.0346","","","0.0901","0.096","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237512","13.1965","0.0017","12.0279","0.0016","9.9006","0.0013","90","","100.998","0.001","90","","1542.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}iron(II)","","- C36 H28 Fe N10 O2 -","- C36 H28 Fe N10 O2 -","- C72 H56 Fe2 N20 O4 -","2","0.5","IS5245","Li, Bin","Diaquabis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}iron(II)","Acta Crystallographica Section E","2013","69","3","m168","","10.1107/S1600536813004601","","","0.71073","MoKα","","0.0718","0.0587","","","0.1708","0.1838","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237513","26.1151","0.001","4.9484","0.0002","11.3933","0.0004","90","","90","","90","","1472.33","0.1","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>E</i>)-2,4-Dimethyl-<i>N</i>'-(2-methylbenzylidene)benzohydrazide","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C68 H72 N8 O4 -","4","1","IS5246","Taha, Muhammad; Ismail, Nor Hadiani; Jaafar, Faridahanim Mohd; Khan, Khalid M.; Yousuf, Sammer","(<i>E</i>)-2,4-Dimethyl-<i>N</i>'-(2-methylbenzylidene)benzohydrazide","Acta Crystallographica Section E","2013","69","3","o400","","10.1107/S1600536813004388","","","0.71073","MoKα","","0.0314","0.03","","","0.0786","0.0798","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237514","15.0413","0.0002","7.7866","0.0001","19.6443","0.0003","90","","96.231","0.001","90","","2287.16","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Stevioside","Stevioside methanol tetrasolvate","","- C42 H76 O22 -","- C42 H76 O22 -","- C84 H152 O44 -","2","1","JJ2161","Wu, Yunshan; Rodenburg, Douglas L.; Ibrahim, Mohamed A.; McChesney, James D.; Avery, Mitchell A.","Stevioside methanol tetrasolvate","Acta Crystallographica Section E","2013","69","3","o410","o411","10.1107/S1600536813003954","","","1.54178","CuKα","","0.0304","0.0297","","","0.0754","0.0759","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237515","16.8771","0.0003","7.53713","0.00016","26.2404","0.0006","90","","97.2938","0.0018","90","","3310.9","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraethylammonium toluene-4-sulfonate","","- C15 H27 N O3 S -","- C14.9985 H27 N O2.9955 S0.9985 -","- C119.988 H216 N8 O23.964 S7.988 -","8","2","KP2445","Brus, Diana Malgorzata; Czyrko, Justyna; Brzezinski, Krzysztof","Tetraethylammonium toluene-4-sulfonate","Acta Crystallographica Section E","2013","69","3","o324","","10.1107/S1600536813002961","","","0.71073","MoKα","","0.0841","0.0755","","","0.1592","0.1629","","","","","","1.188","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237516","14.046","0.005","9.607","0.005","5.903","0.003","90","","90","","90","","796.6","0.6","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","2-Nitro-1,3-dinitrooxypropane","","- C3 H5 N3 O8 -","- C3 H5 N3 O8 -","- C12 H20 N12 O32 -","4","0.5","LD2094","Breiner, Megan M.; Chavez, David E.; Parrish, Damon A.","2-Nitro-1,3-dinitrooxypropane","Acta Crystallographica Section E","2013","69","3","o384","","10.1107/S1600536813004170","","","0.71073","MoKα","","0.0676","0.0377","","","0.0716","0.0828","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237517","11.948","0.0005","11.8649","0.0005","11.1416","0.0005","90","","108.918","0.002","90","","1494.14","0.11","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","bisthiochromanone","3-[(4-Oxo-4<i>H</i>-thiochromen-3-yl)methyl]-4<i>H</i>-thiochromen-4-one","","- C19 H12 O2 S2 -","- C19 H12 O2 S2 -","- C76 H48 O8 S8 -","4","0.5","LH5551","Somasundaram, M.; Athavan, S.; Balasubramanian, K. K.; Saiganesh, R.; Kabilan, S.","3-[(4-Oxo-4<i>H</i>-thiochromen-3-yl)methyl]-4<i>H</i>-thiochromen-4-one","Acta Crystallographica Section E","2013","69","3","o358","","10.1107/S1600536813001906","","","0.71073","MoKα","","0.0388","0.0332","","","0.1102","0.1183","","","","","","0.884","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237518","7.9474","0.0006","13.0122","0.001","13.4215","0.0011","87.734","0.006","77.014","0.007","86.945","0.007","1350","0.19","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","1-(2-Furoyl)-3-(2-methoxy-4-nitrophenyl)thiourea","","- C13 H11 N3 O5 S -","- C13 H11 N3 O5 S -","- C52 H44 N12 O20 S4 -","4","2","LH5568","Pratap, Seema; Singh, Durga P.; Gupta, Sushil K.; Yildirim, Sema Öztürk; Butcher, Ray J.","1-(2-Furoyl)-3-(2-methoxy-4-nitrophenyl)thiourea","Acta Crystallographica Section E","2013","69","3","o330","o331","10.1107/S1600536813002894","","","1.54184","CuKα","","0.0641","0.0461","","","0.1188","0.1335","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237519","17.0305","0.0008","9.5638","0.0006","7.1651","0.0004","90","","104.199","0.004","90","","1131.37","0.11","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)malononitrile","","- C12 H7 N3 O S -","- C12 H7 N3 O S -","- C48 H28 N12 O4 S4 -","4","1","LH5577","Sakka, Ola K.; Fleita, Daisy H.; Harrison, William T. A.","2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)malononitrile","Acta Crystallographica Section E","2013","69","3","o350","","10.1107/S160053681300216X","","","0.71073","MoKα","","0.0938","0.0429","","","0.0725","0.0858","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237520","8.273","0.0002","8.4881","0.0002","10.4288","0.0002","95.178","0.001","103.507","0.001","94.109","0.001","705.91","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","LY-4","4-Nitrophenyl <i>N</i>-(2-sulfamoylphenyl)carbamate","","- C13 H11 N3 O6 S -","- C13 H11 N3 O6 S -","- C26 H22 N6 O12 S2 -","2","1","LH5580","Yu, Wenying; Li, Chenglong","4-Nitrophenyl <i>N</i>-(2-sulfamoylphenyl)carbamate","Acta Crystallographica Section E","2013","69","3","o355","","10.1107/S1600536813003310","","","0.71073","MoKα","","0.0554","0.0366","","","0.09","0.0982","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237521","19.7286","0.0011","11.5659","0.0014","17.8088","0.0018","90","","90","","90","","4063.6","0.7","291","2","291","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl){3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)carbonyl]-5-methylindolizin-1-yl}methanone","","- C21 H21 N5 O2 -","- C21 H21 N5 O2 -","- C168 H168 N40 O16 -","8","2","LH5581","Song, Xiang-Yun; Gu, Wei-Jin; Jiang, Yu-Liang; Wang, Bing-Xiang","(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl){3-[(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)carbonyl]-5-methylindolizin-1-yl}methanone","Acta Crystallographica Section E","2013","69","3","o450","","10.1107/S1600536813005060","","","0.71073","MoKα","","0.0561","0.0502","","","0.1281","0.1293","","","","","","1.071","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237522","11.9045","0.0004","14.6235","0.0004","7.61672","0.00015","90","","105.483","0.002","90","","1277.84","0.06","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Diisocyano-3,3'-dimethylbiphenyl","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","LH5582","Rukiah, Mwaffak; Al-Ktaifani, Mahmoud","Powder X-ray investigation of 4,4'-diisocyano-3,3'-dimethylbiphenyl","Acta Crystallographica Section E","2013","69","3","o412","o413","10.1107/S1600536813004315","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","","1.32","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2237523","9.804","0.0002","10.287","0.0002","11.826","0.0002","74.727","0.001","82.761","0.001","71.817","0.001","1091.87","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>-Diethylanilinium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate","","- C20 H20 Cl N5 O7 -","- C20 H20 Cl N5 O7 -","- C40 H40 Cl2 N10 O14 -","2","1","LH5583","Babykala, R.; Kalaivani, D.","<i>N</i>,<i>N</i>-Diethylanilinium 5-(5-chloro-2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate","Acta Crystallographica Section E","2013","69","3","o398","o399","10.1107/S1600536813004352","","","0.71073","MoKα","","0.0528","0.0418","","","0.1073","0.1171","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237524","23.7543","0.0006","9.3871","0.0002","15.8857","0.0004","90","","94.704","0.002","90","","3530.33","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","","- C19 H17 F3 N2 O2 -","- C19 H17 F3 N2 O2 -","- C152 H136 F24 N16 O16 -","8","1","LH5585","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Chandam, D. R.; Deshmukh, Madhukar B.","2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile","Acta Crystallographica Section E","2013","69","3","o417","o418","10.1107/S1600536813004522","","","0.71073","MoKα","","0.0862","0.0611","","","0.1157","0.1263","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237525","4.0368","0.0003","15.5642","0.001","10.85","0.0007","90","","97.488","0.006","90","","675.89","0.08","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-[(Dimethylamino)methylidene]propanedinitrile","","- C6 H7 N3 -","- C6 H7 N3 -","- C24 H28 N12 -","4","1","LH5587","Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Deshmukh, Madhukar B.","2-[(Dimethylamino)methylidene]propanedinitrile","Acta Crystallographica Section E","2013","69","3","o433","","10.1107/S1600536813004960","","","0.71073","MoKα","","0.0993","0.0659","","","0.1807","0.2057","","","","","","1.052","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237526","13.724","0.005","9.861","0.008","27.742","0.003","90","","112.693","0.012","90","","3464","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-{2-[4-(diethylamino)phenyl]ethenyl}pyridine-κ<i>N</i>)diiodididozinc","","- C34 H40 I2 N4 Zn -","- C34 H40 I2 N4 Zn -","- C136 H160 I8 N16 Zn4 -","4","1","LR2093","Nie, Cui-Yun; Tian, Yu-Peng","Bis(4-{2-[4-(diethylamino)phenyl]ethenyl}pyridine-κ<i>N</i>)diiodidozinc","Acta Crystallographica Section E","2013","69","3","m135","","10.1107/S1600536813001736","","","0.71069","MoKα","","0.1117","0.0631","","","0.163","0.197","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237527","11.8535","0.0007","12.3769","0.0009","20.8721","0.0011","98.549","0.005","103.074","0.005","105.134","0.006","2808.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-<i>N</i>'-(4-Fluorobenzylidene)-2-(3-methylphenyl)acetohydrazide","","- C16 H15 F N2 O -","- C16 H15 F N2 O -","- C128 H120 F8 N16 O8 -","8","4","LX2277","Praveen, A. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Narayana, B.","(<i>E</i>)-<i>N</i>'-(4-Fluorobenzylidene)-2-(3-methylphenyl)acetohydrazide","Acta Crystallographica Section E","2013","69","3","o421","","10.1107/S1600536813004467","","","1.54184","CuKα","","0.107","0.0511","","","0.1467","0.1905","","","","","","0.993","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237528","25.5516","0.0005","6.325","0.0001","27.9899","0.0006","90","","90.639","0.001","90","","4523.27","0.15","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Benzylammoniumdiheptanoate","Benzylammonium heptanoate‒heptanoic acid (1/1)","","- C21 H37 N O4 -","- C21 H37 N O4 -","- C168 H296 N8 O32 -","8","1","MW2101","Wood, Mary H.; Clarke, Stuart M.","Benzylammonium heptanoate‒heptanoic acid (1/1)","Acta Crystallographica Section E","2013","69","3","o346","o347","10.1107/S1600536813003012","","","0.71073","MoKα","","0.1675","0.0678","","","0.1812","0.2384","","","","","","0.976","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237529","12.413","0.003","9.3936","0.0019","16.202","0.003","90","","111.65","0.03","90","","1755.9","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{(<i>E</i>)-4-[4-(Trifluoromethyl)phenoxy]but-2-enyloxy}phenyl <i>N</i>-methylcarbamate","","- C19 H18 F3 N O4 -","- C19 H18 F3 N O4 -","- C76 H72 F12 N4 O16 -","4","1","MW2102","Ma, Hong-Ju; Xu, Meng-Han; Zhang, Jian-Hua; Li, Jian-Hong; Ning, Jun","2-{(<i>E</i>)-4-[4-(Trifluoromethyl)phenoxy]but-2-enyloxy}phenyl <i>N</i>-methylcarbamate","Acta Crystallographica Section E","2013","69","3","o326","o327","10.1107/S1600536813001347","","","1.54178","CuKα","","0.0542","0.0437","","","0.1017","0.107","","","","","","1.074","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237530","6.6562","0.0005","14.1","0.0014","60.756","0.005","90","","90","","90","","5702.1","0.9","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,7,11-Tris{4-[(1<i>R</i>,3<i>S</i>,4<i>S</i>)-neomenthyloxy]phenyl}tri[1,2,4]triazolo[4,3-<i>a</i>:4',3'-<i>c</i>:4'',3''-<i>e</i>][1,3,5]triazine‒chloroform‒ethanol (1/1/1)","","- C57 H76 Cl3 N9 O4 -","- C57 H76 Cl3 N9 O4 -","- C228 H304 Cl12 N36 O16 -","4","1","NC2304","Herget, Karoline; Schollmeyer, Dieter; Detert, Heiner","3,7,11-Tris{4-[(1<i>R</i>,3<i>S</i>,4<i>S</i>)-neomenthyloxy]phenyl}tri[1,2,4]triazolo[4,3-<i>a</i>:4',3'-<i>c</i>:4'',3''-<i>e</i>][1,3,5]triazine‒chloroform‒ethanol (1/1/1)","Acta Crystallographica Section E","2013","69","3","o365","o366","10.1107/S1600536813003498","","","0.71073","MoKα","","0.2552","0.0609","","","0.1007","0.1525","","","","","","0.783","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237531","10.8594","0.0001","13.7414","0.0002","21.1929","0.0003","90","","90","","90","","3162.48","0.07","160","1","160","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-<i>N</i>-[(4-{(<i>S</i>)-1-[2-(4-Methoxybenzamido)-2-methylpropanoyl]pyrrolidine-2-carboxamido}-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)carbonyl]proline dimethyl sulfoxide monosolvate","","- C30 H44 N4 O9 S -","- C30 H44 N4 O9 S -","- C120 H176 N16 O36 S4 -","4","1","NC2305","Stoykova, Svetlana A.; Linden, Anthony; Heimgartner, Heinz","(<i>S</i>)-<i>N</i>-[(4-{(<i>S</i>)-1-[2-(4-Methoxybenzamido)-2-methylpropanoyl]pyrrolidine-2-carboxamido}-3,4,5,6-tetrahydro-2<i>H</i>-pyran-4-yl)carbonyl]proline dimethyl sulfoxide monosolvate (4-MeBz-Aib-Pro-Thp-Pro-OH)","Acta Crystallographica Section E","2013","69","3","o419","o420","10.1107/S1600536813004546","","","0.71073","MoKα","","0.0565","0.0421","","","0.0952","0.1026","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237532","13.0418","0.0004","17.8453","0.0007","21.8391","0.0009","106.915","0.003","104.977","0.003","104.125","0.003","4408.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Tris[dimethyl (benzoylamido)phosphato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')neodymium(III)","","- C39 H41 N5 Nd O12 P3 -","- C39 H41 N5 Nd O12 P3 -","- C156 H164 N20 Nd4 O48 P12 -","4","2","NG5315","Kariaka, Nataliia S.; Trush, Victor A.; Medviediev, Volodymyr V.; Sliva, Tetyana Yu.; Amirkhanov, Vladimir M.","Tris[dimethyl (benzoylamido)phosphato-κ^2^<i>O</i>,<i>O</i>'](1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')neodymium(III)","Acta Crystallographica Section E","2013","69","3","m143","","10.1107/S1600536813003462","","","0.7107","MoKα","","0.0659","0.0355","","","0.0801","0.0888","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237533","7.862","0.0002","9.20164","0.00018","13.3027","0.0003","82.4472","0.0018","74.803","0.002","66.012","0.002","848.16","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-Chloro-6-[(2,4-dimethoxybenzyl)amino]-9-isopropyl-9<i>H</i>-purine","","- C17 H20 Cl N5 O2 -","- C17 H20 Cl N5 O2 -","- C34 H40 Cl2 N10 O4 -","2","1","NG5316","Novotná, Radka; Trávníček, Zdeněk","2-Chloro-6-[(2,4-dimethoxybenzyl)amino]-9-isopropyl-9<i>H</i>-purine","Acta Crystallographica Section E","2013","69","3","o390","","10.1107/S1600536813004121","","","0.71073","MoKα","","0.0316","0.0291","","","0.0783","0.0793","","","","","","1.096","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237534","19.7898","0.0008","19.7898","0.0008","12.4416","0.0011","90","","90","","90","","4872.6","0.5","295","","295","","","","","","","","","5","I 41/a :2","-I 4ad","88","","<i>N</i>-[(1<i>E</i>)-5-(3-Chlorophenyl)-3-methylcyclohex-2-en-1-ylidene]hydroxylamine","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C208 H224 Cl16 N16 O16 -","16","1","NK2191","Ganesh, G.; Murugavel, K.; Kannan, P. S.; Amirthaganesan, S.; SubbiahPandi, A.","<i>N</i>-[(1<i>E</i>)-5-(3-Chlorophenyl)-3-methylcyclohex-2-en-1-ylidene]hydroxylamine","Acta Crystallographica Section E","2013","69","3","o449","","10.1107/S1600536813004698","","","0.71073","MoKα","","0.1024","0.0803","","","0.2168","0.2417","","","","","","1.053","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237535","11.6827","0.001","11.1912","0.0011","11.1789","0.0011","90","","109.118","0.002","90","","1381","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[4-(4-Methoxyphenyl)-1-methyl-3-nitropyrrolidin-3-yl]methanol","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C52 H72 N8 O16 -","4","1","NK2193","Prathebha, K.; Sathya, S.; Usha, G.; Sivakumar, N.; Bakthadoss, M.","[4-(4-Methoxyphenyl)-1-methyl-3-nitropyrrolidin-3-yl]methanol","Acta Crystallographica Section E","2013","69","3","o372","","10.1107/S1600536813003073","","","0.71073","MoKα","","0.073","0.0454","","","0.1385","0.1616","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237536","13.247","0.004","12.075","0.004","20.822","0.007","90","","90.979","0.005","90","","3330.1","1.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(tetrahydrofuran-κ<i>O</i>)potassium]-di-μ-dimethylamido-κ^4^<i>N</i>:<i>N</i>-aluminium-di-μ-dimethylamido-κ^4^<i>N</i>:<i>N</i>-potassium-di-μ-dimethylamido-κ^4^<i>N</i>:<i>N</i>-aluminium-di-μ-dimethylamido-κ^4^<i>N</i>:<i>N</i>]","","- C20 H56 Al2 K2 N8 O -","- C20 H56 Al2 K2 N8 O -","- C80 H224 Al8 K8 N32 O4 -","4","0.5","NK2195","Purdy, Andrew; Parrish, Damon","<i>catena</i>-Poly[[(tetrahydrofuran-κ<i>O</i>)potassium]-di-μ-dimethylamido-κ^4^<i>N</i>:<i>N</i>-aluminium-di-μ-dimethylamido-κ^4^<i>N</i>:<i>N</i>-potassium-di-μ-dimethylamido-κ^4^<i>N</i>:<i>N</i>-aluminium-di-μ-dimethylamido-κ^4^<i>N</i>:<i>N</i>]","Acta Crystallographica Section E","2013","69","3","m147","","10.1107/S1600536813003553","","","0.71073","MoKα","","0.0475","0.0361","","","0.1005","0.1068","","","","","","1.027","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237537","8.274","0.003","13.745","0.004","17.113","0.005","90","","90","","90","","1946.2","1.1","93","","93","","","","","","","","","3","P n a 21","P 2c -2n","33","","2-(2,5-Dimethylphenoxy)ethanol","","- C10 H14 O2 -","- C10 H14 O2 -","- C80 H112 O16 -","8","2","NK2198","Ukai, Miho; Okuno, Tsunehisa","2-(2,5-Dimethylphenoxy)ethanol","Acta Crystallographica Section E","2013","69","3","o456","","10.1107/S1600536813005187","","","0.71075","MoKα","","","0.0457","","","","0.1214","","","","","","1.089","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237538","9.6647","0.0013","9.7281","0.001","23.684","0.003","90","","90","","90","","2226.7","0.5","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Hydroxy-1,1'-bis[(<i>S</i>)-1-phenylethyl]-5,5',6,6'-tetrahydro-3,4'-bipyridine-2,2'(1<i>H</i>,1'<i>H</i>)-dione","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C104 H112 N8 O12 -","4","1","NR2039","Romero, Nancy; Gnecco, Dino; Terán, Joel; Bernès, Sylvain","4-Hydroxy-1,1'-bis[(<i>S</i>)-1-phenylethyl]-5,5',6,6'-tetrahydro-3,4'-bipyridine-2,2'(1<i>H</i>,1'<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","3","o408","o409","10.1107/S1600536813004017","","","0.71073","MoKα","","0.0533","0.0387","","","0.0881","0.0953","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237539","10.1676","0.0002","10.1676","0.0002","18.9701","0.0003","90","","90","","120","","1698.39","0.05","295","","295","","","","","","","","","3","R -3 :H","-R 3","148","","Magnesium hexatellurate(IV)","","- Mg O13 Te6 -","- Mg O13 Te6 -","- Mg6 O78 Te36 -","6","0.333333","PJ2001","Shirkhanlou, Mahdi; Weil, Matthias","The Mg member of the isotypic series <i>M</i>Te~6~O~13~","Acta Crystallographica Section E","2013","69","3","i18","","10.1107/S1600536813003875","","","0.71073","MoKα","","0.0184","0.017","","","0.0335","0.0339","","","","","","1.357","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237540","15.917","0.015","13.768","0.013","17.808","0.016","90","","105.216","0.015","90","","3766","6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chlorido[2,3,5,6-tetrakis(<i>tert</i>-butylsulfanylmethyl)phenyl-κ^3^<i>S</i>^2^,<i>C</i>^1^,<i>S</i>^6^]palladium(II) dichloromethane monosolvate","","- C27 H47 Cl3 Pd S4 -","- C27 H47 Cl3 Pd S4 -","- C108 H188 Cl12 Pd4 S16 -","4","1","PK2463","Paz-Morales, Evelyn; Hernández-Ortega, Simón; Morales-Morales, David","Chlorido[2,3,5,6-tetrakis(<i>tert</i>-butylsulfanylmethyl)phenyl-κ^3^<i>S</i>^2^,<i>C</i>^1^,<i>S</i>^6^]palladium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2013","69","3","m139","m140","10.1107/S1600536813003036","","","0.71073","MoKα","","0.0676","0.0476","","","0.1026","0.1098","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237541","14.9638","0.0002","7.9191","0.0001","13.6394","0.0002","90","","92.56","","90","","1614.65","0.04","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2,7-Dimethoxynaphthalen-1-yl)(4-methoxyphenyl)methanone","","- C20 H18 O4 -","- C20 H18 O4 -","- C80 H72 O16 -","4","1","PK2464","Sasagawa, Kosuke; Sakamoto, Rei; Hijikata, Daichi; Okamoto, Akiko; Yonezawa, Noriyuki","(2,7-Dimethoxynaphthalen-1-yl)(4-methoxyphenyl)methanone","Acta Crystallographica Section E","2013","69","3","o363","","10.1107/S1600536813003218","","","1.5418","CuKα","","0.0408","0.0383","","","0.102","0.1056","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237542","8.84367","0.00012","8.839","0.00012","17.2662","0.0002","90","","103.674","0.0014","90","","1311.43","0.03","100.1","","100.1","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Di-μ~2~-chlorido-bis[chlorido(η^5^-2,3,4,5-tetramethyl-1-propylcyclopentadienyl)iridium(III)]","","- C24 H38 Cl4 Ir2 -","- C24 H38 Cl4 Ir2 -","- C48 H76 Cl8 Ir4 -","2","0.5","PK2466","Merola, Joseph S.; Morris, David; De Weerd, Nicholas","Di-μ~2~-chlorido-bis[chlorido(η^5^-2,3,4,5-tetramethyl-1-propylcyclopentadienyl)iridium(III)]","Acta Crystallographica Section E","2013","69","3","m176","","10.1107/S1600536813005072","","","0.7107","MoKα","","0.0244","0.0194","","","0.038","0.0396","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237543","7.6372","0.001","13.7067","0.0016","17.083","0.002","90","","90","","90","","1788.3","0.4","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1β,15α-Dihydroxy-16α,17-epoxypregn-4-ene-3,20-dione","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","1","PV2620","Shen, Yan-Bing; Wang, Yi-Bo; Luo, Jian-Mei; Wang, Min","1β,15α-Dihydroxy-16α,17-epoxypregn-4-ene-3,20-dione","Acta Crystallographica Section E","2013","69","3","o447","","10.1107/S1600536813005023","","","0.71073","MoKα","","0.0568","0.0433","","","0.0711","0.0769","","","","","","0.941","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237544","8.858","0.003","10.536","0.004","8.16","0.003","90","","116.213","0.012","90","","683.2","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,4-Diaminobenzonitrile","3,4-Diaminobenzonitrile","","- C7 H7 N3 -","- C7 H7 N3 -","- C28 H28 N12 -","4","1","QK2053","Geiger, David K.; Parsons, Dylan E.","3,4-Diaminobenzonitrile","Acta Crystallographica Section E","2013","69","3","o452","","10.1107/S1600536813005151","","","0.71073","MoKα","","0.1103","0.0522","","","0.1061","0.1278","","","","","","0.956","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237545","12.064","0.0005","31.81","0.002","21.9207","0.0015","90","","98.029","0.005","90","","8329.7","0.9","90","0.5","90","0.5","","","","","","","","7","P 1 21 1","P 2yb","4","","Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethylidene]thiosemicabazidato-κ<i>S</i>}bis(triphenylphosphane-κ<i>P</i>)silver(I)","","- C45 H43 Ag Cl N5 P2 S -","- C45 H43 Ag Cl N5 P2 S -","- C360 H344 Ag8 Cl8 N40 P16 S8 -","8","4","RK2386","Venkatraman, Ramaiyer; Ruddock, Kleopatra D.; Das, Himangshu S.; Hossain, Md. Alamgir; Fronczek, Frank R.","Chlorido{4-ethyl-1-[1-(pyrazin-2-yl)ethylidene]thiosemicabazidato-κ<i>S</i>}bis(triphenylphosphane-κ<i>P</i>)silver(I)","Acta Crystallographica Section E","2013","69","3","m137","m138","10.1107/S1600536813003152","","","0.71073","MoKα","","0.06","0.042","","","0.094","0.103","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237546","7.8608","0.0003","11.82","0.0005","11.9356","0.0004","105.096","0.002","98.086","0.002","101.854","0.002","1025.53","0.07","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","<i>N</i>-(Pyrazin-2-yl)-1,8-naphthyridin-2-amine","","- C12 H9 N5 -","- C12 H9 N5 -","- C48 H36 N20 -","4","2","RK2390","Duan, Yan-Shan; Wang, Wen-Zhen; Wen, Yuh-Sheng; Zhu, Yu-Qin; Peng, Shie-Ming","<i>N</i>-(Pyrazin-2-yl)-1,8-naphthyridin-2-amine","Acta Crystallographica Section E","2013","69","3","o349","","10.1107/S160053681300319X","","","0.71073","MoKα","","0.045","0.0307","","","0.0721","0.0744","","","","","","0.925","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237547","10.824","0.0003","10.8382","0.0003","13.9127","0.0004","70.29","0.001","88.946","0.002","73.578","0.001","1468.47","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1'-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-1''-methyl-2',3',5',6',7',7a'-octahydro-1'<i>H</i>-dispiro[1-benzopyran-3,2'-pyrrolizine-3',3''-indoline]-2'',4-dione","","- C38 H32 N4 O3 -","- C38 H32 N4 O3 -","- C76 H64 N8 O6 -","2","1","RK2391","Jagadeesan, G.; Sethusankar, K.; Kathirvelan, D.; Haribabu, J.; Reddy, B. S. R.","1'-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-1''-methyl-2',3',5',6',7',7a'-octahydro-1'<i>H</i>-dispiro[1-benzopyran-3,2'-pyrrolizine-3',3''-indoline]-2'',4-dione","Acta Crystallographica Section E","2013","69","3","o317","","10.1107/S1600536813002043","","","0.71073","MoKα","","0.0946","0.0554","","","0.1439","0.1664","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237548","12.403","0.003","16.534","0.003","15.37","0.003","90","","90","","90","","3151.9","1.1","291","2","291","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","4,4'-(Ethene-1,2-diyl)dipyridinium 4-[2-(pyridin-4-yl)ethenyl]pyridinium octacyanidomolybdate(V) tetrahydrate","","- C32 H31 Mo N12 O4 -","- C32 H31 Mo N12 O4 -","- C128 H124 Mo4 N48 O16 -","4","0.25","RZ5039","Yang, Xiao-Zhen; Hu, Ai-Yun; Yuan, Ai-Hua","4,4'-(Ethene-1,2-diyl)dipyridinium 4-[2-(pyridin-4-yl)ethenyl]pyridinium octacyanidomolybdate(V) tetrahydrate","Acta Crystallographica Section E","2013","69","3","m132","","10.1107/S1600536813002985","","","0.71073","MoKα","","0.0215","0.0205","","","0.051","0.0516","","","","","","1.085","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237549","15.7186","0.0002","11.6533","0.0002","6.8618","0.0001","90","","91.734","0.001","90","","1256.32","0.03","100","1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(3,5-diamino-4<i>H</i>-1,2,4-triazol-1-ium) 3,4-dioxocyclobutane-1,2-diolate","","- C8 H12 N10 O4 -","- C8 H12 N10 O4 -","- C32 H48 N40 O16 -","4","1","RZ5040","Fun, Hoong-Kun; Loh, Wan-Sin; Johnson, Atim; Yousuf, Sammer; Eno, Ededet","Bis(3,5-diamino-4<i>H</i>-1,2,4-triazol-1-ium) 3,4-dioxocyclobutane-1,2-diolate","Acta Crystallographica Section E","2013","69","3","o353","o354","10.1107/S160053681300322X","","","0.71073","MoKα","","0.0548","0.0396","","","0.0985","0.1081","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237550","6.5776","0.0009","10.7119","0.0014","16.516","0.002","78.459","0.003","79.743","0.003","80.765","0.003","1112.5","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-Ethyl 2-anilino-5-[3-(dimethylamino)acryloyl]-4-phenylthiophene-3-carboxylate","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C48 H48 N4 O6 S2 -","2","1","RZ5041","Mabkhot, Yahia Nasser; Barakat, Assem; Alatibi, Fatima; Choudhary, M. Iqbal; Yousuf, Sammer","(<i>E</i>)-Ethyl 2-anilino-5-[3-(dimethylamino)acryloyl]-4-phenylthiophene-3-carboxylate","Acta Crystallographica Section E","2013","69","3","o351","","10.1107/S1600536813003231","","","0.71073","MoKα","","0.0567","0.047","","","0.1283","0.1418","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237551","12.836","0.002","14.458","0.002","16.645","0.003","97.216","0.002","110.934","0.002","112.179","0.002","2547.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tris(3,4,7,8-tetramethyl-1,10-phenanthrolin-1-ium) hexacyanidocobaltate(III) pentahydrate","","- C54 H61 Co N12 O5 -","- C54 H61 Co N12 O5 -","- C108 H122 Co2 N24 O10 -","2","1","RZ5042","Hu, Ai-Yun; Yu, Deng-Yong; Yuan, Ai-Hua","Tris(3,4,7,8-tetramethyl-1,10-phenanthrolin-1-ium) hexacyanidocobaltate(III) pentahydrate","Acta Crystallographica Section E","2013","69","3","m142","","10.1107/S1600536813003632","","","0.71073","MoKα","","0.1029","0.0575","","","0.1384","0.1545","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237552","7.86946","0.00014","27.1458","0.0005","12.849","0.0002","90","","102.267","0.001","90","","2682.17","0.08","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,8-bis(2-naphthoyl)-2,7-diethoxynaphthalene","{2,7-Diethoxy-8-[(naphthalen-2-yl)carbonyl]naphthalen-1-yl}(naphthalen-2-yl)methanone","","- C36 H28 O4 -","- C36 H28 O4 -","- C144 H112 O16 -","4","1","RZ5043","Tsumuki, Takehiro; Okamoto, Akiko; Oike, Hideaki; Yonezawa, Noriyuki","{2,7-Diethoxy-8-[(naphthalen-2-yl)carbonyl]naphthalen-1-yl}(naphthalen-2-yl)methanone","Acta Crystallographica Section E","2013","69","3","o369","","10.1107/S1600536813003577","","","1.54187","CuKα","","0.0448","0.036","","","0.0915","0.0966","","","","","","1.087","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237553","10.7654","0.0011","13.1295","0.0012","13.5498","0.0011","90.746","0.002","101.902","0.001","109.257","0.002","1762.3","0.3","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[bis(diphenylthiophosphinoyl)methyl]lithium(I) benzene monosolvate","","- C41 H35 Li N2 P2 S2 -","- C41 H35 Li N2 P2 S2 -","- C82 H70 Li2 N4 P4 S4 -","2","1","RZ5044","Ren, Wenshan; Chantrapromma, Suchada; Fun, Hoong-Kun","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[bis(diphenylthiophosphinoyl)methyl]lithium(I) benzene monosolvate","Acta Crystallographica Section E","2013","69","3","m160","m161","10.1107/S160053681300456X","","","0.71073","MoKα","","0.0662","0.0496","","","0.1054","0.1148","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237554","18.8076","0.0013","5.3007","0.0004","10.1439","0.0008","90","","103.425","0.007","90","","983.65","0.13","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-3-Hydroxy-4-(4-methoxyphenyl)but-3-en-2-one","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","SJ5292","Fang, Wei; Hu, Jun-Ping; Wang, Mei; Chen, Mu-Zi","(<i>Z</i>)-3-Hydroxy-4-(4-methoxyphenyl)but-3-en-2-one","Acta Crystallographica Section E","2013","69","3","o359","","10.1107/S1600536813002262","","","0.71073","MoKα","","0.0528","0.0424","","","0.1069","0.113","","","","","","1.006","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237555","11.3779","0.0008","8.0954","0.0006","27.3371","0.0018","90","","90","","90","","2518","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-[3-Methoxy-5-(pyrimidin-2-yl)phenyl]pyrimidine","","- C15 H12 N4 O -","- C15 H12 N4 O -","- C120 H96 N32 O8 -","8","1","SJ5297","Hu, Jiena; Wu, Yang; Zhang, Dengqing; Li, Xianying; Jin, Wusong","2-[3-Methoxy-5-(pyrimidin-2-yl)phenyl]pyrimidine","Acta Crystallographica Section E","2013","69","3","o333","","10.1107/S1600536813002663","","","0.71073","MoKα","","0.051","0.0441","","","0.1154","0.1226","","","","","","1.039","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237556","12.5055","0.0004","5.4409","0.0002","19.5178","0.0006","90","","90.859","0.002","90","","1327.86","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(2-Bromoacetyl)phenyl benzoate","","- C15 H11 Br O3 -","- C15 H11 Br O3 -","- C60 H44 Br4 O12 -","4","1","SJ5298","Ambekar, Sachin P.; Devarajegowda, H. C.; ShylajaKumari, J.; Kumar, K. Mahesh; Kotresh, O.","3-(2-Bromoacetyl)phenyl benzoate","Acta Crystallographica Section E","2013","69","3","o322","","10.1107/S1600536813002900","","","0.71073","MoKα","","0.0437","0.0331","","","0.0889","0.0924","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237557","25.4905","0.0011","8.6166","0.0004","23.2902","0.001","90","","92.235","0.002","90","","5111.6","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Diethyl 2,6-dimethyl-4-[4-(3-phenylacryloyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate hemihydrate","","- C28 H30 N O6.5 -","- C28 H30 N O6.5 -","- C224 H240 N8 O52 -","8","1","SU2546","Sharmila, P.; Suresh Kumar, C.; Ananth, Karthik; Narasimhan, S.; Aravindhan, S.","Diethyl 2,6-dimethyl-4-[4-(3-phenylacryloyloxy)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate hemihydrate","Acta Crystallographica Section E","2013","69","3","o389","","10.1107/S1600536813004108","","","0.71073","MoKα","","0.0782","0.0481","","","0.134","0.1462","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2237558","13.9211","0.0008","8.6383","0.0004","21.5316","0.0007","90","","90","","90","","2589.3","0.2","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 5-methoxy-2-trifluoromethyl-1<i>H</i>-indole-3-carboxylate","","- C13 H12 F3 N O3 -","- C13 H12 F3 N O3 -","- C104 H96 F24 N8 O24 -","8","1","SU2553","Crochet, Aurelien; Alimi, Isak; Bochet, Christian G.; Fromm, Katharina M.","Ethyl 5-methoxy-2-trifluoromethyl-1<i>H</i>-indole-3-carboxylate","Acta Crystallographica Section E","2013","69","3","o339","","10.1107/S1600536813002614","","","1.54186","CuKα","","0.0411","0.0373","","","0.0948","0.0966","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237559","10.389","0.002","11.092","0.001","12.105","0.002","63.47","0.03","79.75","0.02","71.08","0.03","1179.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[aquacopper(II)]-bis[μ-<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)isophthalamide]-[aquacopper(II)]-di-μ-sulfato] dimethylformamide disolvate]","","- C21 H23 Cu N5 O8 S -","- C21 H23 Cu N5 O8 S -","- C42 H46 Cu2 N10 O16 S2 -","2","1","SU2555","Zhang, Er-Peng; Wang, Li-Ping; Wang, Yu-Fei","<i>catena</i>-Poly[[[aquacopper(II)]-bis[μ-<i>N</i>,<i>N</i>'-bis(pyridin-4-yl)isophthalamide]-[aquacopper(II)]-di-μ-sulfato] dimethylformamide disolvate]","Acta Crystallographica Section E","2013","69","3","m150","m151","10.1107/S1600536813003413","","","0.71073","MoKα","","0.0643","0.0517","","","0.1153","0.1237","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237560","9.1932","0.0004","9.8139","0.0004","17.6979","0.0007","90","","91.198","0.001","90","","1596.38","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1'<i>S</i>,4'<i>S</i>)-5-(2,5-Dimethylphenyl)-4'-methoxy-6-oxa-3-azaspiro[bicyclo[3.1.0]hexane-2,1'-cyclohexan]-4-one","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","SU2559","He, Xing-Rui; Xu, Bing-Rong; Cheng, Jing-Li; Zhao, Jin-Hao","(1'<i>S</i>,4'<i>S</i>)-5-(2,5-Dimethylphenyl)-4'-methoxy-6-oxa-3-azaspiro[bicyclo[3.1.0]hexane-2,1'-cyclohexan]-4-one","Acta Crystallographica Section E","2013","69","3","o453","","10.1107/S1600536813005138","","","0.71073","MoKα","","0.0721","0.0451","","","0.1024","0.1221","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237561","7.636","0.002","8.082","0.002","14.599","0.004","88.689","0.004","84.24","0.004","70.148","0.004","843.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(1<i>RS</i>,2<i>RS</i>)-4,4'-(1-Azaniumyl-2-hydroxyethane-1,2-diyl)dipyridinium tetrachloridoplatinate(II) chloride","","- C12 H16 Cl5 N3 O Pt -","- C12 H16 Cl5 N3 O Pt -","- C24 H32 Cl10 N6 O2 Pt2 -","2","1","SU2560","Campos-Gaxiola, José J.; Almaral-Sanchez, Jorge L.; Cruz-Enríquez, Adriana; Höpfl, Herbert; Parra-Hake, Miguel","(1<i>RS</i>,2<i>RS</i>)-4,4'-(1-Azaniumyl-2-hydroxyethane-1,2-diyl)dipyridinium tetrachloridoplatinate(II) chloride","Acta Crystallographica Section E","2013","69","3","m157","m158","10.1107/S160053681300425X","","","0.71073","MoKα","","0.0396","0.0375","","","0.0903","0.0913","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237562","15.966","0.002","5.5741","0.0015","15.629","0.004","90","","98.25","0.02","90","","1376.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Bis(thiophen-3-yl)quinoxaline","","- C16 H10 N2 S2 -","- C16 H10 N2 S2 -","- C64 H40 N8 S8 -","4","1","SU2562","Crundwell, Guy; de Freitas, Jorge","2,3-Bis(thiophen-3-yl)quinoxaline","Acta Crystallographica Section E","2013","69","3","o394","","10.1107/S1600536813004248","","","0.71073","MoKα","","0.0979","0.0569","","","0.1645","0.1833","","","","","","0.923","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237563","10.9988","0.0002","25.8702","0.0005","19.2062","0.0004","90","","100.338","0.001","90","","5376.24","0.18","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","{2,7-Dimethoxy-8-[4-(propan-2-yloxy)benzoyl]naphthalen-1-yl}[4-(propan-2-yloxy)phenyl]methanone","","- C32 H32 O6 -","- C32 H32 O6 -","- C256 H256 O48 -","8","2","SU2564","Sasagawa, Kosuke; Takeuchi, Ryo; Kusakabe, Taro; Yonezawa, Noriyuki; Okamoto, Akiko","{2,7-Dimethoxy-8-[4-(propan-2-yloxy)benzoyl]naphthalen-1-yl}[4-(propan-2-yloxy)phenyl]methanone","Acta Crystallographica Section E","2013","69","3","o444","o445","10.1107/S1600536813004959","","","1.54187","CuKα","","0.0476","0.0414","","","0.1165","0.1209","","","","","","0.935","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237564","6.725","0.0007","9.3876","0.0011","14.4434","0.0014","90","","117.75","0.004","90","","806.96","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Bromophenyl)acetamide","","- C8 H8 Br N O -","- C8 H8 Br N O -","- C32 H32 Br4 N4 O4 -","4","1","SU2566","Jasinski, Jerry P.; Guild, Curtis J.; Yathirajan, H. S.; Narayana, B.; Samshuddin, S.","<i>N</i>-(4-Bromophenyl)acetamide: a new polymorph","Acta Crystallographica Section E","2013","69","3","o461","","10.1107/S1600536813005448","","","0.71073","MoKα","","0.051","0.0326","","","0.0665","0.073","","","","","","1.036","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237565","4.981","0.0002","26.652","0.001","10.0545","0.0003","90","","92.139","0.002","90","","1333.84","0.08","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[(1,3-Benzodioxol-5-yl)methyl]-4-methylbenzamide","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","TK5191","Maganhi, Stella H.; Damião, Mariana C. F. C. B.; Tavares, Maurício T.; Parise Filho, Roberto","<i>N</i>-[(1,3-Benzodioxol-5-yl)methyl]-4-methylbenzamide: an analogue of capsaicin","Acta Crystallographica Section E","2013","69","3","o332","","10.1107/S1600536813002201","","","0.71073","MoKα","","0.0851","0.05","","","0.1265","0.1489","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237566","5.9949","0.0002","6.4007","0.0002","18.5642","0.0006","90","","90","","90","","712.34","0.04","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propionic acid","","- C4 H2 F6 O3 -","- C4 H2 F6 O3 -","- C16 H8 F24 O12 -","4","1","TK5193","Gerber, Thomas; Betz, Richard","3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propionic acid","Acta Crystallographica Section E","2013","69","3","o335","","10.1107/S1600536813003103","","","0.71073","MoKα","","0.0301","0.0292","","","0.0748","0.076","","","","","","1.05","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237567","9.1486","0.0011","9.3592","0.0013","10.2823","0.0008","69.212","0.01","82.91","0.008","77.22","0.011","801.73","0.17","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","2-[<i>N</i>-(2,4-Dimethoxyphenyl)acetamido]-1,3-thiazol-4-yl acetate","","- C15 H16 N2 O5 S -","- C15 H16 N2 O5 S -","- C30 H32 N4 O10 S2 -","2","1","TK5194","Horishny, Volodymyr; Lesyk, Roman; Kowiel, Marcin; Gzella, Andrzej K.","2-[<i>N</i>-(2,4-Dimethoxyphenyl)acetamido]-1,3-thiazol-4-yl acetate","Acta Crystallographica Section E","2013","69","3","o356","o357","10.1107/S1600536813003474","","","0.71073","MoKα","","0.0422","0.0345","","","0.0876","0.093","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237568","8.9445","0.0005","9.5736","0.0008","9.9078","0.0009","115.509","0.009","93.381","0.006","108.144","0.006","708.96","0.12","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","2-[<i>N</i>-(4-Methoxyphenyl)acetamido]-1,3-thiazol-4-yl acetate","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C28 H28 N4 O8 S2 -","2","1","TK5195","Horishny, Volodymyr; Lesyk, Roman; Gzella, Andrzej K.","2-[<i>N</i>-(4-Methoxyphenyl)acetamido]-1,3-thiazol-4-yl acetate","Acta Crystallographica Section E","2013","69","3","o391","","10.1107/S1600536813004236","","","0.71073","MoKα","","0.0401","0.0349","","","0.0905","0.0948","","","","","","1.059","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237569","8.9082","0.0004","13.3632","0.0006","5.833","0.0003","90","","103.403","0.005","90","","675.46","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Bromo-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C7 H5 Br N2 -","- C7 H5 Br N2 -","- C28 H20 Br4 N8 -","4","1","TK5196","Štarha, Pavel; Trávníček, Zdeněk","5-Bromo-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","Acta Crystallographica Section E","2013","69","3","o381","","10.1107/S1600536813004157","","","0.71073","MoKα","","0.0385","0.0347","","","0.0913","0.0922","","","","","","1.128","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237570","22.9422","0.001","7.5828","0.0003","22.7319","0.001","90","","112.576","0.002","90","","3651.5","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4-Methoxyphenyl)-6-methylamino-5-nitro-2-phenyl-4<i>H</i>-pyran-3-carbonitrile","","- C20 H17 N3 O4 -","- C20 H17 N3 O4 -","- C160 H136 N24 O32 -","8","1","TK5197","Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","4-(4-Methoxyphenyl)-6-methylamino-5-nitro-2-phenyl-4<i>H</i>-pyran-3-carbonitrile","Acta Crystallographica Section E","2013","69","3","o451","","10.1107/S1600536813004923","","","0.71073","MoKα","","0.0618","0.04","","","0.0999","0.116","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237571","8.3246","0.0003","14.9567","0.0006","16.4461","0.0007","90","","90","","90","","2047.68","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1-Allyl-5-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C10 H9 N3 O3 -","- C10 H9 N3 O3 -","- C80 H72 N24 O24 -","8","1","TK5200","Ouzidan, Younès; Kandri Rodi, Youssef; Kandri Rodi, Adiba; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","1-Allyl-5-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","3","o431","","10.1107/S1600536813004790","","","0.71073","MoKα","","0.0725","0.0565","","","0.1533","0.1681","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237572","8.19645","0.0001","11.5051","0.0002","26.4916","0.0004","90","","90","","90","","2498.18","0.07","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(8-Benzoyl-2,7-dimethoxynaphthalen-1-yl)(4-phenoxyphenyl)methanone","","- C32 H24 O5 -","- C32 H24 O5 -","- C128 H96 O20 -","4","1","VM2188","Sasagawa, Kosuke; Sakamoto, Rei; Takeuchi, Ryo; Yonezawa, Noriyuki; Okamoto, Akiko","(8-Benzoyl-2,7-dimethoxynaphthalen-1-yl)(4-phenoxyphenyl)methanone","Acta Crystallographica Section E","2013","69","3","o395","o396","10.1107/S1600536813004303","","","1.54187","CuKα","","0.0319","0.0315","","","0.085","0.0854","","","","","","1.044","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237573","9.622","0.005","18.404","0.005","9.734","0.005","90","","90","","90","","1723.7","1.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","<i>catena</i>-Poly[[bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]cobalt(II)]-di-μ-azido-κ^4^<i>N</i>^1^,<i>N</i>^3^]","","- C14 H20 Co N10 -","- C14 H20 Co N10 -","- C56 H80 Co4 N40 -","4","0.25","VM2189","Guenifa, Fatiha; Zeghouan, Ouahida; Hadjadj, Nasreddine; Bendjeddou, Lamia; Merazig, Hocine","<i>catena</i>-Poly[[bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]cobalt(II)]-di-μ-azido-κ^4^<i>N</i>^1^:<i>N</i>^3^]","Acta Crystallographica Section E","2013","69","3","m175","","10.1107/S1600536813005205","","","0.71073","MoKα","","0.0479","0.032","","","0.077","0.0862","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237574","12.253","0.0009","14.6114","0.0003","23.2442","0.0004","71.681","0.001","87.688","0.002","82.627","0.007","3917.9","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Bis(2-carboxy-<i>N</i>-{[1-(2-hydroxyethyl)-3,3-dimethylindolin-2-ylidene]methylimino}anilinium) sulfate monohydrate","","- C40 H46 N6 O11 S -","- C40 H44 N6 O11 S -","- C160 H176 N24 O44 S4 -","4","2","WM2718","Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J.","Bis(2-carboxy-<i>N</i>-{[1-(2-hydroxyethyl)-3,3-dimethylindolin-2-ylidene]methylimino}anilinium) sulfate monohydrate","Acta Crystallographica Section E","2013","69","3","o343","o344","10.1107/S1600536813003188","","","1.54178","CuKα","","0.0589","0.0531","","","0.1355","0.1521","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2237575","8.9391","0.0004","9.4694","0.0004","16.9374","0.0008","90","","90","","90","","1433.72","0.11","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","Dineodymium(III) tricarbonate octahydrate","","- C3 H16 Nd2 O17 -","- C3 Nd2 O17 -","- C12 Nd8 O68 -","4","0.5","WM2719","Morrison, Shaunna M.; Andrade, Marcelo B.; Wenz, Michelle D.; Domanik, Kenneth J.; Downs, Robert T.","Lanthanite-(Nd), Nd~2~(CO~3~)~3~·8H~2~O","Acta Crystallographica Section E","2013","69","3","i15","i16","10.1107/S1600536813003164","","","0.71073","MoKα","","0.0232","0.0198","","","0.0537","0.0566","","","","","","1.124","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237576","9.9043","0.0002","10.2078","0.0002","18.5358","0.0004","100.773","0.002","92.019","0.002","91.458","0.002","1838.84","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis{2-[(guanidinoimino)methyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}cobalt(III) chloride hemihydrate","","- C16 H19 Cl Co N8 O2.5 -","- C16 H19 Cl Co N8 O2.5 -","- C64 H76 Cl4 Co4 N32 O10 -","4","2","WM2724","Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Bis{2-[(guanidinoimino)methyl]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}cobalt(III) chloride hemihydrate","Acta Crystallographica Section E","2013","69","3","m165","m166","10.1107/S1600536813004534","","","0.71073","MoKα","","0.0518","0.0408","","","0.1009","0.1065","","","","","","1.059","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237577","7.7501","0.0016","12.783","0.003","15.164","0.003","90","","100.35","0.03","90","","1477.8","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Butane-1,2,3,4-tetraol-κ^3^<i>O</i>^1^,<i>O</i>^2^,<i>O</i>^3^)(ethanol-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')holmium(III)","","- C6 H16 Ho N3 O14 -","- C6 H16 Ho N3 O14 -","- C24 H64 Ho4 N12 O56 -","4","1","XU5656","Hua, Xiao-Hui; Xue, Jun-Hui; Yang, Li-Min; Xu, Yi-Zhuang; Wu, Jin-Guang","(Butane-1,2,3,4-tetraol-κ^3^<i>O</i>^1^,<i>O</i>^2^,<i>O</i>^3^)(ethanol-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')holmium(III)","Acta Crystallographica Section E","2013","69","3","m162","m163","10.1107/S160053681300305X","","","0.71073","MoKα","","0.0319","0.0291","","","0.0595","0.0606","","","","","","1.186","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237578","8.7544","0.0004","8.0112","0.0002","20.9382","0.0009","90","","101.352","0.005","90","","1439.74","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[2-(1<i>H</i>-benzotriazol-1-yl)-1<i>H</i>-benzimidazol-1-ido]diethanolcadmium","","- C30 H28 Cd N10 O2 -","- C30 H28 Cd N10 O2 -","- C60 H56 Cd2 N20 O4 -","2","0.5","XU5670","Cao, Ping; Liu, Jia-Cheng; Hu, Dong-Cheng","Bis[2-(1<i>H</i>-benzotriazol-1-yl)-1<i>H</i>-benzimidazol-1-ido]diethanolcadmium","Acta Crystallographica Section E","2013","69","3","m134","","10.1107/S1600536813001827","","","0.71073","MoKα","","0.0976","0.0887","","","0.2167","0.2206","","","","","","1.195","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2237579","14.819","0.005","9.61","0.005","14.555","0.005","90","","118.158","0.005","90","","1827.5","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(azido-κ<i>N</i>)bis[4-(dimethylamino)pyridine-κ<i>N</i>]zinc","","- C14 H20 N10 Zn -","- C14 H20 N10 Zn -","- C56 H80 N40 Zn4 -","4","1","XU5676","Guenifa, Fatiha; Hadjadj, Nasreddine; Zeghouan, Ouahida; Bendjeddou, Lamia; Merazig, Hocine","Bis(azido-κ<i>N</i>)bis[4-(dimethylamino)pyridine-κ<i>N</i>]zinc","Acta Crystallographica Section E","2013","69","3","m169","","10.1107/S1600536813004686","","","0.71073","MoKα","","0.0483","0.033","","","0.0878","0.0977","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237580","7.8679","0.0002","17.9522","0.0003","9.8492","0.0002","90","","106.637","0.003","90","","1332.92","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(2-chlorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)","","- C26 H24 Cl2 Co N4 O8 -","- C26 H24 Cl2 Co N4 O8 -","- C52 H48 Cl4 Co2 N8 O16 -","2","0.5","XU5678","Dincel, Öznur; Tercan, Barış; Öztürkkan, Füreya Elif; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(2-chlorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)","Acta Crystallographica Section E","2013","69","3","m173","m174","10.1107/S1600536813004984","","","0.71073","MoKα","","0.1173","0.0876","","","0.2234","0.2368","","","","","","1.227","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237581","5.2173","0.0009","8.7011","0.0015","11.1453","0.0019","75.545","0.002","81.854","0.002","76.427","0.002","474.39","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6,7-Difluoro-1,2,3,4-tetrahydroquinoxaline-5,8-dicarbonitrile","","- C10 H6 F2 N4 -","- C10 H6 F2 N4 -","- C20 H12 F4 N8 -","2","1","YK2078","Qu, Bao-Hua; Jia, Xiao-Chuan; Li, Jing; He, Ming-Yang","6,7-Difluoro-1,2,3,4-tetrahydroquinoxaline-5,8-dicarbonitrile","Acta Crystallographica Section E","2013","69","3","o376","","10.1107/S1600536813003206","","","0.71073","MoKα","","0.0486","0.0432","","","0.1321","0.1398","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237582","11.2047","0.0001","11.2337","0.0001","15.0317","0.0002","91.125","0.001","94.936","0.001","95.496","0.001","1875.62","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis[(<i>E</i>)-3-(4-methoxyphenyl)prop-2-enoato]triphenylantimony(V) benzene monosolvate","","- C44 H39 O6 Sb -","- C44 H39 O6 Sb -","- C88 H78 O12 Sb2 -","2","1","YK2083","Andreev, Pavel V.; Somov, Nikolay V.; Kalistratova, Olga S.; Gushchin, Alexey V.; Chuprunov, Evgeny V.","Bis[(<i>E</i>)-3-(4-methoxyphenyl)prop-2-enoato]triphenylantimony(V) benzene monosolvate","Acta Crystallographica Section E","2013","69","3","m167","","10.1107/S1600536813004674","","","0.71073","MoKα","","0.0212","0.0198","","","","0.0515","","","","","","1.091","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237583","9.55","0.002","22.698","0.005","8.748","0.002","90","","107.511","0.005","90","","1808.4","0.7","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>,<i>N</i>'-Bis(4-bromophenyl)pyridine-2,6-dicarboxamide","","- C19 H13 Br2 N3 O2 -","- C19 H13 Br2 N3 O2 -","- C76 H52 Br8 N12 O8 -","4","0.5","YK2085","Waris, Ghulam; Siddiqi, Humaira Masood; Flörke, Ulrich; Hussain, Rizwan; Butt, M. Saeed","<i>N</i>,<i>N</i>'-Bis(4-bromophenyl)pyridine-2,6-dicarboxamide","Acta Crystallographica Section E","2013","69","3","o416","","10.1107/S1600536813002705","","","0.71073","MoKα","","0.0557","0.0392","","","0.0951","0.1046","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237584","7.9987","0.0003","7.6297","0.0002","14.35","0.0004","90","","101.386","0.003","90","","858.51","0.05","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Hydroxy-1,2-dihydro-4<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-4-one","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C44 H36 N4 O8 -","4","1","YK2087","Rybakov, Victor B.; Shishkina, Svitlana V.; Ukrainets, Igor V.; Gorokhova, Olga V.; Andreeva, Xeniya V.","6-Hydroxy-1,2-dihydro-4<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-4-one","Acta Crystallographica Section E","2013","69","3","o340","","10.1107/S1600536813003000","","","0.71073","MoKα","","0.0637","0.0435","","","0.1121","0.1251","","","","","","1.066","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237585","19.863","0.0005","18.3212","0.0004","16.5349","0.0003","90","","110.763","0.001","90","","5626.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[3-(trimethylazaniumyl)propyl]guanidinium bis(tetraphenylborate) acetone disolvate","","- C65 H80 B2 N4 O2 -","- C65 H80 B2 N4 O2 -","- C260 H320 B8 N16 O8 -","4","1","ZL2531","Tiritiris, Ioannis","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethyl-<i>N</i>''-[3-(trimethylazaniumyl)propyl]guanidinium bis(tetraphenylborate) acetone disolvate","Acta Crystallographica Section E","2013","69","3","o337","o338","10.1107/S1600536813003024","","","0.71073","MoKα","","0.0753","0.0454","","","0.0991","0.1133","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237586","10.586","0.003","9.248","0.003","10.826","0.003","90","","90","","90","","1059.9","0.5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","<i>rac</i>-3,3,3-Trifluorolactic acid","<i>rac</i>-3,3,3-Trifluoro-2-hydroxypropanoic acid","","- C3 H3 F3 O3 -","- C3 H3 F3 O3 -","- C24 H24 F24 O24 -","8","1","ZL2532","Gerber, Thomas; Betz, Richard","<i>rac</i>-3,3,3-Trifluorolactic acid","Acta Crystallographica Section E","2013","69","3","o336","","10.1107/S1600536813003097","","","0.71073","MoKα","","0.0368","0.0306","","","0.0768","0.0813","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237587","9.8354","0.0008","8.0938","0.0007","25.435","0.002","90","","99.344","0.001","90","","1997.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-<i>tert</i>-Butyl 2-ethyl 5-chloro-3-(2-furoyl)-1<i>H</i>-indole-1,2-dicarboxylate","","- C21 H20 Cl N O6 -","- C21 H20 Cl N O6 -","- C84 H80 Cl4 N4 O24 -","4","1","ZL2535","Hassam, Mohammad; Smith, Vincent J.","1-<i>tert</i>-Butyl 2-ethyl 5-chloro-3-(2-furoyl)-1<i>H</i>-indole-1,2-dicarboxylate","Acta Crystallographica Section E","2013","69","3","o446","","10.1107/S1600536813005059","","","0.71073","MoKα","","0.0397","0.0335","","","0.0805","0.0839","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237588","11.022","0.002","22.606","0.005","12.123","0.002","90","","95.65","0.03","90","","3005.9","1","223.15","","223.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[aqua(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(ethane-1,2-diol-κ<i>O</i>)(μ~2~-sulfato-κ^2^<i>O</i>:<i>O</i>')nickel(II)]","","- C12 H16 N2 Ni O7 S -","- C12 H16 N2 Ni O7 S -","- C96 H128 N16 Ni8 O56 S8 -","8","1","ZQ2195","Zhong, Kai-Long","Poly[aqua(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(ethane-1,2-diol-κ<i>O</i>)(μ~2~-sulfato-κ^2^<i>O</i>:<i>O</i>')nickel(II)]","Acta Crystallographica Section E","2013","69","3","m154","m155","10.1107/S1600536813003772","","","0.71073","MoKα","","0.0436","0.0331","","","0.0812","0.0864","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237589","14.1249","0.0019","13.1972","0.0016","13.739","0.002","90","","102.991","0.015","90","","2495.5","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[2-(thiophen-2-yl)quinoxaline-κ<i>N</i>^4^]silver(I) tetrafluoridoborate","","- C24 H16 Ag B F4 N4 S2 -","- C24 H16 Ag B F4 N4 S2 -","- C96 H64 Ag4 B4 F16 N16 S8 -","4","0.5","ZS2248","Crundwell, Guy","Bis[2-(thiophen-2-yl)quinoxaline-κ<i>N</i>^4^]silver(I) tetrafluoridoborate","Acta Crystallographica Section E","2013","69","3","m164","","10.1107/S1600536813004510","","","0.71073","MoKα","","0.0889","0.0544","","","0.1864","0.2036","","","","","","0.929","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237590","9.7919","0.0012","13.7559","0.0018","13.2761","0.0017","90","","96.165","0.003","90","","1777.9","0.4","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(1-Hydroxynaphthalen-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C22 H20 O5 -","- C22 H20 O5 -","- C88 H80 O20 -","4","1","AA2085","Koh, Dongsoo","(<i>E</i>)-1-(1-Hydroxynaphthalen-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","4","o542","","10.1107/S1600536813006843","","","0.71073","MoKα","","0.1037","0.0529","","","0.1277","0.1874","","","","","","1.097","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237591","10.3074","0.0007","10.7942","0.0005","13.9432","0.001","103.554","0.005","106.487","0.006","96.846","0.005","1417.12","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 2,6-bis(4-chlorophenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate","","- C32 H26 Cl2 F2 N2 O2 -","- C32 H26 Cl2 F2 N2 O2 -","- C64 H52 Cl4 F4 N4 O4 -","2","1","BG2498","Anthal, Sumati; Brahmachari, Goutam; Das, Suvankar; Kant, Rajni; Gupta, Vivek K.","Ethyl 2,6-bis(4-chlorophenyl)-4-(4-fluoroanilino)-1-(4-fluorophenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2013","69","4","o506","o507","10.1107/S1600536813006090","","","0.71073","MoKα","","0.1596","0.0615","","","0.1003","0.1326","","","","","","0.933","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237592","4.5315","0.0003","16.3228","0.0007","21.7622","0.0012","90","","93.025","0.004","90","","1607.44","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-{(<i>E</i>)-[4-Bromo-2-(trifluoromethoxy)phenyl]iminomethyl}naphthalen-2-ol","","- C18 H11 Br F3 N O2 -","- C18 H11 Br F3 N O2 -","- C72 H44 Br4 F12 N4 O8 -","4","1","BG2500","Kargılı, Hakan; Macit, Mustafa; Alpaslan, Gökhan; Büyükgüngör, Orhan; Erdönmez, Ahmet","1-{(<i>E</i>)-[4-Bromo-2-(trifluoromethoxy)phenyl]iminomethyl}naphthalen-2-ol","Acta Crystallographica Section E","2013","69","4","o535","","10.1107/S160053681300679X","","","0.71073","MoKα","","0.0995","0.05","","","0.08","0.0921","","","","","","1.022","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237593","15.559","0.003","8.212","0.0016","14.665","0.003","90","","93.23","0.03","90","","1870.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2-Acetoxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)azanium chloride monohydrate","","- C18 H26 Cl N O4 -","- C18 H26 Cl N O4 -","- C72 H104 Cl4 N4 O16 -","4","1","BQ2383","Liu, Yuan-Yuan; Xu, Guang-Hui; Li, Zheng-Jie; Xu, Hong-Yu; Gu, Chang-Qing","[2-Acetoxy-3-(naphthalen-1-yloxy)propyl](propan-2-yl)azanium chloride monohydrate","Acta Crystallographica Section E","2013","69","4","o512","","10.1107/S1600536813005515","","","0.71073","MoKα","","0.1219","0.0697","","","0.1727","0.1998","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237594","12.053","0.002","13.374","0.003","14.511","0.003","102.02","0.03","112.07","0.03","93.04","0.03","2097.8","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Bis{2,2'-[methylazanediylbis(methylene)]bis(4,6-dimethylphenolato)-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}titanium(IV) toluene sesquisolvate","","- C48.5 H58 N2 O4 Ti -","- C48.5 H57.5 N2 O4 Ti -","- C97 H115 N4 O8 Ti2 -","2","1","BR2221","Chung, Yongseog; Kim, Youngjo","Bis{2,2'-[methylazanediylbis(methylene)]bis(4,6-dimethylphenolato)-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}titanium(IV) toluene sesquisolvate","Acta Crystallographica Section E","2013","69","4","m222","","10.1107/S1600536813007022","","","0.71073","MoKα","","0.0959","0.0717","","","0.2114","0.223","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2237595","27.883","0.005","6.001","0.005","17.256","0.005","90","","94.02","0.005","90","","2880","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ethyl (2<i>E</i>,4<i>E</i>)-5-(3-bromophenylsulfonyl)penta-2,4-dienoate","","- C13 H13 Br O4 S -","- C13 H13 Br O4 S -","- C104 H104 Br8 O32 S8 -","8","1","BT6881","Sabari, V.; Sankar, Ulaganathan; Uma, Ramakrishnan; Aravindhan, S.","Ethyl (2<i>E</i>,4<i>E</i>)-5-(3-bromophenylsulfonyl)penta-2,4-dienoate","Acta Crystallographica Section E","2013","69","4","o488","","10.1107/S1600536813005771","","","0.71073","MoKα","","0.0719","0.0391","","","0.1003","0.1159","","","","","","1.011","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237596","7.7089","0.0006","16.3668","0.0013","8.0649","0.0006","90","","109.689","0.004","90","","958.06","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Methyl-2-vinylpyridinium phosphate","","- C8 H12 N O4 P -","- C8 H12 N O4 P -","- C32 H48 N4 O16 P4 -","4","1","BT6887","Kalaiselvi, Ganesan; Sabari, Vijayakumar; Balasubramanian, Sengottuvelan; Aravindhan, Sanmargam","3-Methyl-2-vinylpyridinium phosphate","Acta Crystallographica Section E","2013","69","4","o487","","10.1107/S160053681300576X","","","0.71073","MoKα","","0.0436","0.0373","","","0.1091","0.1135","","","","","","1.081","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237597","8.278","0.002","9.714","0.003","11.847","0.003","90","","90.578","0.009","90","","952.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","N-Dichloroacetyl-t-3,t-5-dimethyl-r-2,c-6-diphenylpiperidin-4-one","1-Dichloroacetyl-<i>t</i>-3,<i>t</i>-5-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","","- C21 H21 Cl2 N O2 -","- C21 H21 Cl2 N O2 -","- C42 H42 Cl4 N2 O4 -","2","1","BT6893","Sugumar, P.; Kayalvizhi, R.; Mini, R.; Ponnuswamy, S.; Ponnuswamy, M. N.","1-Dichloroacetyl-<i>t</i>-3,<i>t</i>-5-dimethyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2013","69","4","o609","","10.1107/S1600536813007927","","","0.71073","MoKα","","0.0353","0.032","","","0.0847","0.0878","","","","","","1.033","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237598","7.4752","0.0006","7.9065","0.0006","14.4663","0.0013","76.022","0.006","76.907","0.007","73.779","0.004","784.96","0.12","292","","292","","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Chlorido(methylamine)bis(propane-1,3-diamine)cobalt(III) dichloride monohydrate","","- C7 H27 Cl3 Co N5 O -","- C7 H27 Cl3 Co N5 O -","- C14 H54 Cl6 Co2 N10 O2 -","2","1","BT6894","Maheshwaran, Velusamy; Manjunathan, Munisamy; Anbalagan, Krishnamoorthy; Thiruselvam, Viswanathan; Ponnuswamy, Mondikalipudur Nanjappagounder","<i>cis</i>-Chlorido(methylamine)bis(propane-1,3-diamine)cobalt(III) dichloride monohydrate","Acta Crystallographica Section E","2013","69","4","m205","m206","10.1107/S1600536813006442","","","0.71073","MoKα","","0.0474","0.0299","","","0.0527","0.0547","","","","","","0.922","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237599","11.511","0.0008","15.8583","0.0009","14.8025","0.0012","90","","109.77","0.008","90","","2542.9","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaquabis[bis(pyrazin-2-yl) sulfide-κ<i>N</i>^4^]bis(thiocyanato-κ<i>N</i>)iron(II) monohydrate","","- C18 H18 Fe N10 O3 S4 -","- C18 H18 Fe N10 O3 S4 -","- C72 H72 Fe4 N40 O12 S16 -","4","0.5","BT6895","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Diaquabis[bis(pyrazin-2-yl) sulfide-κ<i>N</i>^4^]bis(thiocyanato-κ<i>N</i>)iron(II) monohydrate","Acta Crystallographica Section E","2013","69","4","m196","","10.1107/S1600536813006314","","","0.71073","MoKα","","0.0529","0.0376","","","0.0839","0.0901","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237600","5.7151","0.0006","6.7625","0.0008","11.2915","0.0013","76.895","0.009","82.639","0.009","73.068","0.008","405.7","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[bis(2-chloropyrazine-κ<i>N</i>^4^)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C10 H6 Cd Cl2 N6 S2 -","- C10 H6 Cd Cl2 N6 S2 -","- C10 H6 Cd Cl2 N6 S2 -","1","0.5","BT6896","Wöhlert, Susanne; Jess, Inke; Näther, Christian","<i>catena</i>-Poly[[bis(2-chloropyrazine-κ<i>N</i>^4^)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section E","2013","69","4","m195","","10.1107/S1600536813006338","","","0.71073","MoKα","","0.0315","0.0286","","","0.0704","0.0718","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237601","35.007","0.008","19.76","0.005","24.826","0.01","90","","127.681","0.006","90","","13591","7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(4-Bromo-3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one","","- C18 H25 Br O -","- C18 H25 Br O -","- C576 H800 Br32 O32 -","32","4","BT6897","Kuhlich, Paul; Emmerling, Franziska; Kraus, Werner; Nehls, Irene; Piechotta, Christian","1-(4-Bromo-3,5,5,6,8,8-hexamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethan-1-one: a precursor for phase-I metabolite of AHTN","Acta Crystallographica Section E","2013","69","4","o545","","10.1107/S1600536813006934","","","0.71073","MoKα","","0.1448","0.0634","","","0.1268","0.1468","","","","","","1.165","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237602","19.184","0.001","9.7854","0.0004","17.3468","0.0009","90","","108.624","0.004","90","","3085.9","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[bis(methanol-κ<i>O</i>)bis(selenocyanato-κ<i>N</i>)manganese(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ^2^<i>N</i>:<i>N</i>'] 1,2-bis(pyridin-4-yl)ethane monosolvate]","","- C28 H32 Mn N6 O2 Se2 -","- C28 H32 Mn N6 O2 Se2 -","- C112 H128 Mn4 N24 O8 Se8 -","4","0.5","BT6898","Wöhlert, Susanne; Jess, Inke; Näther, Christian","<i>catena</i>-Poly[[[bis(methanol-κ<i>O</i>)bis(selenocyanato-κ<i>N</i>)manganese(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ^2^<i>N</i>:<i>N</i>'] 1,2-bis(pyridin-4-yl)ethane monosolvate]","Acta Crystallographica Section E","2013","69","4","m223","","10.1107/S1600536813007150","","","0.71073","MoKα","","0.0529","0.0424","","","0.0896","0.0938","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237603","26.6884","0.0013","5.765","0.0003","8.7054","0.0004","90","","90","","90","","1339.4","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-Boc-L-pyroglutamic acid ethyl ester","<i>N</i>-Butoxycarbonyl-5-oxo-<i>L</i>-proline ethyl ester","","- C12 H19 N O5 -","- C12 H19 N O5 -","- C48 H76 N4 O20 -","4","1","BX2436","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R.V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","<i>N</i>-Butoxycarbonyl-5-oxo-<small>L</small>-proline ethyl ester","Acta Crystallographica Section E","2013","69","4","o567","o568","10.1107/S1600536813007265","","","1.54178","CuKα","","0.0618","0.0602","","","0.1655","0.1661","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237604","13.2879","0.0012","5.1329","0.0005","21.149","0.0018","90","","96.622","0.002","90","","1432.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>-(2,4-Dichlorobenzylidene)-2,5-dimethoxyaniline","","- C15 H13 Cl2 N O2 -","- C15 H13 Cl2 N O2 -","- C60 H52 Cl8 N4 O8 -","4","1","CQ2001","Pan, Yong; Guo, Hai-Fu; Ma, De-Yun","(<i>E</i>)-<i>N</i>-(2,4-Dichlorobenzylidene)-2,5-dimethoxyaniline","Acta Crystallographica Section E","2013","69","4","o469","","10.1107/S1600536813005552","","","0.71073","MoKα","","0.0373","0.0299","","","0.086","0.0929","","","","","","1.042","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237605","10.503","0.003","10.386","0.003","11.89","0.004","90","","93.484","0.003","90","","1294.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Dichloridobis(ethyl methyl sulfide-κ<i>S</i>)oxidovanadium(IV)","","- C6 H16 Cl2 O S2 V -","- C6 H16 Cl2 O S2 V -","- C24 H64 Cl8 O4 S8 V4 -","4","1","CQ2002","Matsuura, Masatoshi; Fujihara, Takashi; Nagasawa, Akira","<i>cis</i>-Dichloridobis(ethyl methyl sulfide-κ<i>S</i>)oxidovanadium(IV)","Acta Crystallographica Section E","2013","69","4","m209","","10.1107/S1600536813006703","","","0.71073","MoKα","","0.0431","0.0305","","","0.0625","0.0655","","","","","","1.241","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237606","3.8346","0.0004","9.4848","0.0011","37.236","0.004","90","","91.81","0.002","90","","1353.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-Bromo-7-methoxy-2-phenylimidazo[2,1-<i>b</i>][1,3]benzothiazole","","- C16 H11 Br N2 O S -","- C16 H11 Br N2 O S -","- C64 H44 Br4 N8 O4 S4 -","4","1","CV5391","Bunev, Alexander S.; Sukhonosova, Elena V.; Syrazhetdinova, Dinara R.; Statsyuk, Vladimir E.; Ostapenko, Gennady I.; Khrustalev, Victor N.","3-Bromo-7-methoxy-2-phenylimidazo[2,1-<i>b</i>][1,3]benzothiazole","Acta Crystallographica Section E","2013","69","4","o531","","10.1107/S1600536813006582","","","0.71073","MoKα","","0.037","0.0321","","","0.068","0.0696","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237607","10.5304","0.0005","12.6363","0.0005","10.7246","0.0005","90","","92.865","0.001","90","","1425.29","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Ethyl 23-benzyl-8,11,14-trioxa-23,28,29-triazapentacyclo[19.7.1.0^2,7^.0^15,20^.0^22,27^]nonacosa-2,4,6,15(20),16,18,21,26-octaene-26-carboxylate","","- C33 H35 N3 O5 -","- C33 H35 N3 O5 -","- C66 H70 N6 O10 -","2","1","CV5393","Hieu, Truong Hong; Anh, Le Tuan; Soldatenkov, Anatoly T.; Vasil'ev, Vasily G.; Khrustalev, Victor N.","Ethyl 23-benzyl-8,11,14-trioxa-23,28,29-triazapentacyclo[19.7.1.0^2,7^.0^15,20^.0^22,27^]nonacosa-2,4,6,15(20),16,18,21,26-octaene-26-carboxylate","Acta Crystallographica Section E","2013","69","4","o565","o566","10.1107/S1600536813007241","","","0.71073","MoKα","","0.052","0.0403","","","0.0887","0.0937","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237608","9.6543","0.0006","9.7591","0.0011","18.579","0.003","90","","90","","90","","1750.5","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(4-sulfamoylanilinium) sulfate","","- C12 H18 N4 O8 S3 -","- C12 H18 N4 O8 S3 -","- C48 H72 N16 O32 S12 -","4","0.5","FB2278","Ravikumar, B.; Pandiarajan, S.; Athimoolam, S.","Bis(4-sulfamoylanilinium) sulfate","Acta Crystallographica Section E","2013","69","4","o596","","10.1107/S1600536813007216","","","0.71073","MoKα","","0.0401","0.0386","","","0.1028","0.1038","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237609","9.6422","0.0002","12.0871","0.0003","18.4517","0.0004","90","","99.228","0.001","90","","2122.64","0.08","446","2","446","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(5-Hydroxy-2,2,8,8-tetramethyl-2<i>H</i>,8<i>H</i>-pyrano[2,3-<i>f</i>]chromen-6-yl)-3-(4-methoxyphenyl)prop-2-en-1-one","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","FF2099","Pawar, Sunayna; Gopaul, Kaalin; Moodley, Thrineshan; Omondi, Bernard; Koorbanally, Neil","1-(5-Hydroxy-2,2,8,8-tetramethyl-2<i>H</i>,8<i>H</i>-pyrano[2,3-<i>f</i>]chromen-6-yl)-3-(4-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","4","o484","","10.1107/S1600536813005734","","","0.71073","MoKα","","0.0404","0.0369","","","0.0989","0.1035","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237610","7.7021","0.0005","13.8713","0.0012","14.2554","0.001","90","","98.096","0.002","90","","1507.84","0.19","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-<i>N</i>-[(<i>E</i>)-3-(4-Nitrophenyl)allylidene]naphthalen-1-amine","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","1","FF2100","Nam, Kee Dal; Cha, Joo Hwan; Cho, Yong Seo; Lee, Jae Kyun; Pae, Ae Nim","(<i>E</i>)-<i>N</i>-[(<i>E</i>)-3-(4-Nitrophenyl)allylidene]naphthalen-1-amine","Acta Crystallographica Section E","2013","69","4","o548","","10.1107/S1600536813006417","","","0.71075","MoKα","","","0.0442","","","","0.1247","","","","","","0.999","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237611","4.5798","0.0007","9.5411","0.0016","29.136","0.005","90","","90","","90","","1273.1","0.4","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1,3-Bis(pentafluorophenyl)urea","","- C13 H2 F10 N2 O -","- C13 H2 F10 N2 O -","- C52 H8 F40 N8 O4 -","4","1","FF2101","Okuno, Tsunehisa","A new polymorph of 1,3-bis(pentafluorophenyl)urea","Acta Crystallographica Section E","2013","69","4","o608","","10.1107/S1600536813007836","","","0.71075","MoKα","","","0.0312","","","","0.0802","","","","","","1.093","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237612","6.5766","0.0001","11.1792","0.0002","12.4355","0.0003","93.175","0.001","103.89","0.001","98.688","0.001","873.34","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-4-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(ethanol-κ<i>O</i>)copper(II)](<i>Cu</i>—<i>Cu</i>)","","- C32 H28 Cl4 Cu2 O10 -","- C32 H28 Cl4 Cu2 O10 -","- C32 H28 Cl4 Cu2 O10 -","1","0.5","FJ2617","Mollica Nardo, Viviana; Nicoló, Francesco; Saccà, Alessandro; Bruno, Giuseppe; Ielo, Ileana","Tetrakis(μ-4-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(ethanol-κ<i>O</i>)copper(II)](<i>Cu</i>—<i>Cu</i>)","Acta Crystallographica Section E","2013","69","4","m221","","10.1107/S1600536813006909","","","0.71073","MoKα","","0.0485","0.0372","","","0.0946","0.1018","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237613","4.9246","0.0009","10.016","0.0019","25.907","0.005","90","","92.845","0.004","90","","1276.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-Nitrobenzyl)-4<i>H</i>-chromen-4-one","","- C16 H11 N O4 -","- C16 H11 N O4 -","- C64 H44 N4 O16 -","4","1","FJ2618","Gopaul, Kaalin; Koorbanally, Neil Anthony; Shaikh, Mahidansha M.; Ramjugernath, Deresh; Su, Hong","3-(4-Nitrobenzyl)-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2013","69","4","o513","","10.1107/S1600536813006119","","","0.71073","MoKα","","0.0585","0.0504","","","0.1483","0.1538","","","","","","1.085","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237614","7.16505","0.00018","15.3511","0.0004","33.3834","0.0008","90","","90","","90","","3671.89","0.16","123.01","0.1","123.01","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3,5-Dimethoxy-4'-methylbiphenyl","","- C15 H16 O2 -","- C15 H16 O2 -","- C180 H192 O24 -","12","3","FJ2619","Lahtinen, Manu; Nättinen, Kalle; Nummelin, Sami","3,5-Dimethoxy-4'-methylbiphenyl","Acta Crystallographica Section E","2013","69","4","o510","o511","10.1107/S1600536813006053","","","1.5418","CuKα","","0.045","0.0387","","","0.0911","0.0941","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237615","7.9772","0.0004","12.8562","0.0007","16.1719","0.0008","90","","90","","90","","1658.53","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-2,2-Dibromo-3,7,7,10-tetramethyl-9β,10β-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane","","- C16 H24 Br2 O -","- C16 H24 Br2 O -","- C64 H96 Br8 O4 -","4","1","FJ2620","Oukhrib, Abdelouahd; Benharref, Ahmed; Saadi, Mohamed; Berraho, Moha; El Ammari, Lahcen","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>R</i>,10<i>S</i>)-2,2-Dibromo-3,7,7,10-tetramethyl-9β,10β-epoxy-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecane","Acta Crystallographica Section E","2013","69","4","o521","o522","10.1107/S1600536813006077","","","0.71073","MoKα","","0.06","0.0325","","","0.0682","0.0738","","","","","","1.02","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237616","5.0676","0.0004","7.0426","0.0007","15.8394","0.0015","97.509","0.004","98.819","0.003","105.79","0.004","528.62","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)-2-(3-Ethoxy-2-hydroxybenzylidene)hydrazinecarboxamide","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C20 H26 N6 O6 -","2","1","FJ2621","Aravindakshan, A. Ambili; Sithambaresan, M.; Kurup, M. R. Prathapachandra","(2<i>E</i>)-2-(3-Ethoxy-2-hydroxybenzylidene)hydrazinecarboxamide","Acta Crystallographica Section E","2013","69","4","o586","o587","10.1107/S1600536813007617","","","0.71073","MoKα","","0.0451","0.0373","","","0.1011","0.1085","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237617","10.1192","0.0015","13.7078","0.0019","10.9891","0.0015","90","","102.537","0.003","90","","1488","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-Hydroxycinnamaldehyde","","- C9 H8 O2 -","- C9 H8 O2 -","- C72 H64 O16 -","8","2","FY2086","Kang, Ki-Tae; Kim, Sung-Gon","(<i>E</i>)-2-Hydroxycinnamaldehyde","Acta Crystallographica Section E","2013","69","4","o534","","10.1107/S1600536813006648","","","0.71073","MoKα","","0.1092","0.0517","","","0.126","0.182","","","","","","0.967","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237618","8.1957","0.0014","6.1287","0.001","32.995","0.005","90","","93.014","0.003","90","","1655","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(4-methylbenzoyl)-2,3-dihydro-1<i>H</i>-indene-2-carboxylate","","- C20 H20 O3 -","- C20 H20 O3 -","- C80 H80 O12 -","4","1","GG2108","Xiang, Jiachen; Hu, Tingting; Wang, Jungang","Ethyl 2-(4-methylbenzoyl)-2,3-dihydro-1<i>H</i>-indene-2-carboxylate","Acta Crystallographica Section E","2013","69","4","o504","","10.1107/S1600536813005801","","","0.71073","MoKα","","0.0673","0.0486","","","0.1631","0.1867","","","","","","1.09","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237619","4.0714","0.0001","23.7463","0.0007","12.7698","0.0004","90","","102.113","0.001","90","","1207.11","0.06","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-chloroquinolin-8-yl furan-2-carboxylate","5-Chloroquinolin-8-yl furan-2-carboxylate","","- C14 H8 Cl N O3 -","- C14 H8 Cl N O3 -","- C56 H32 Cl4 N4 O12 -","4","1","GG2111","Moreno-Fuquen, Rodolfo; Hernandez, Geraldine; Ellena, Javier; De Simone, Carlos A.; Tenorio, Juan C.","5-Chloroquinolin-8-yl furan-2-carboxylate","Acta Crystallographica Section E","2013","69","4","o501","","10.1107/S1600536813005667","","","0.71073","MoKα","","0.0593","0.0429","","","0.1085","0.1192","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237620","5.381","0.003","15.225","0.007","13.749","0.007","90","","94.92","0.03","90","","1122.2","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","5-iodo-3-phenylbenzo[c]isoxazole","5-Iodo-3-phenyl-2,1-benzoxazole","","- C13 H8 I N O -","- C13 H8 I N O -","- C52 H32 I4 N4 O4 -","4","2","GK2554","Teslenko, Yuriy; Matiychuk, Vasyl S.; Kinzhybalo, Vasyl; Lis, Tadeusz; Obushak, Mykola D.","5-Iodo-3-phenyl-2,1-benzoxazole","Acta Crystallographica Section E","2013","69","4","o508","","10.1107/S1600536813005862","","","0.71073","MoKα","","0.0578","0.0413","","","0.085","0.0898","","","","","","1","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237621","6.0297","0.0001","8.1542","0.0002","13.4163","0.0003","90","","90.491","0.002","90","","659.62","0.02","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Bromo-2-chloropyrimidin-4-amine","","- C4 H3 Br Cl N3 -","- C4 H3 Br Cl N3 -","- C16 H12 Br4 Cl4 N12 -","4","1","GK2560","Kumar, Mohan; Mallikarjunaswamy, C.; Sridhar, M. A.; Bhadregowda, D. G.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","5-Bromo-2-chloropyrimidin-4-amine","Acta Crystallographica Section E","2013","69","4","o583","","10.1107/S1600536813007228","","","0.71073","MoKα","","0.0282","0.0235","","","0.0556","0.0579","","","","","","1.102","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237622","3.8992","0.0007","12.662","0.002","10.9678","0.0017","90","","97.983","0.004","90","","536.25","0.15","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-Bis(pyridin-3-yl)oxamide","","- C12 H10 N4 O2 -","- C12 H10 N4 O2 -","- C24 H20 N8 O4 -","2","0.5","GK2563","Liu, Shih-Miao; He, Hsiu-Yi; Chen, Jhy-Der","<i>N</i>,<i>N</i>'-Bis(pyridin-3-yl)oxamide","Acta Crystallographica Section E","2013","69","4","o560","","10.1107/S1600536813007277","","","0.71073","MoKα","","0.0636","0.0433","","","0.1116","0.1263","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237623","10.0846","0.0007","7.9104","0.0006","10.933","0.0008","90","","110.164","0.002","90","","818.71","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Bromochroman-4-one","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","GO2082","Shaikh, Mahidansha M.; Koorbanally, Neil A.; Du Toit, Karen; Ramjugernath, Deresh; Bodenstein, Johannes","3-Bromochroman-4-one","Acta Crystallographica Section E","2013","69","4","o473","","10.1107/S1600536813005394","","","0.71073","MoKα","","0.0343","0.0251","","","0.0582","0.0609","","","","","","1.047","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237624","6.8285","0.0002","20.1939","0.0006","22.4344","0.0006","90","","90","","90","","3093.57","0.15","93","2","93","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","viridiol","1β,3β-Dihydroxy-2β-methoxyfuro[4',3',2':4,5,6]-18-norandrosta-8,11,13-triene-7,17-dione","","- C20 H18 O6 -","- C20 H18 O6 -","- C160 H144 O48 -","8","2","HB7028","Andersson, Pierre F.; Broberg, Anders; Lundberg, Daniel","The furanosteroid viridiol","Acta Crystallographica Section E","2013","69","4","o467","o468","10.1107/S1600536813005606","","","0.71073","MoKα","","0.087","0.0491","","","0.081","0.0886","","","","","","0.912","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237625","11.157","0.002","12.141","0.002","15.517","0.003","82.79","0.03","84.19","0.03","70.59","0.03","1962.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[2-(2,2':4',2''-Terpyridin-6'-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzoato-κ<i>O</i>]manganese(II) trihydrate","","- C44 H34 Mn N6 O7 -","- C44 H34 Mn N6 O7 -","- C88 H68 Mn2 N12 O14 -","2","1","HB7038","Liu, Xinzheng","[2-(2,2':4',2''-Terpyridin-6'-yl-κ^2^<i>N</i>^1^,<i>N</i>^1'^)benzoato-κ<i>O</i>]manganese(II) trihydrate","Acta Crystallographica Section E","2013","69","4","m204","","10.1107/S1600536813006004","","","0.71073","MoKα","","0.1484","0.093","","","0.2284","0.2711","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237626","6.5311","0.0008","35.129","0.003","14.0903","0.0014","90","","101.74","0.011","90","","3165.1","0.6","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Amino-4-(4-chlorophenyl)-4<i>H</i>-chromeno[8,7-<i>b</i>]pyridine-3-carbonitrile","","- C19 H12 Cl N3 O -","- C19 H12 Cl N3 O -","- C152 H96 Cl8 N24 O8 -","8","2","HB7046","Amr, Abd El-Galil E.; El-Agrody, Ahmed M.; Sabry, Nermien M.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Amino-4-(4-chlorophenyl)-4<i>H</i>-chromeno[8,7-<i>b</i>]pyridine-3-carbonitrile","Acta Crystallographica Section E","2013","69","4","o462","o463","10.1107/S1600536813005217","","","0.71073","MoKα","","0.147","0.0613","","","0.123","0.1635","","","","","","1.014","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237627","8.9672","0.0007","10.4365","0.0008","10.9058","0.0008","103.063","0.007","106.859","0.007","111.399","0.008","844.01","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","3-Amino-1-(4-fluorophenyl)-8-methoxy-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","","- C21 H15 F N2 O2 -","- C21 H15 F N2 O2 -","- C42 H30 F2 N4 O4 -","2","1","HB7047","El-Agrody, Ahmed M.; Al-Omar, Mohamed A.; Amr, Abd El-Galil E.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Amino-1-(4-fluorophenyl)-8-methoxy-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","Acta Crystallographica Section E","2013","69","4","o476","o477","10.1107/S160053681300545X","","","0.71073","MoKα","","0.0708","0.0488","","","0.1213","0.1381","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237628","6.0823","0.0007","16.6918","0.0018","17.77","0.0016","90","","93.646","0.009","90","","1800.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-(4-bromophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromene-3-carbonitrile","","- C21 H15 Br N2 O2 -","- C21 H15 Br N2 O2 -","- C84 H60 Br4 N8 O8 -","4","1","HB7048","Al-dies, Al-anood M.; El-Agrody, Ahmed M.; Al-Omar, Mohamed A.; Amr, Abd El-Galil E.; Ng, Seik Weng; Tiekink, Edward R. T.","2-Amino-4-(4-bromophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromene-3-carbonitrile","Acta Crystallographica Section E","2013","69","4","o480","o481","10.1107/S1600536813005461","","","0.71073","MoKα","","0.1113","0.0526","","","0.1182","0.1497","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237629","8.7798","0.0009","9.6329","0.0006","10.913","0.0011","77.074","0.007","68.414","0.01","87.083","0.007","835.99","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","3-Amino-1-(4-fluorophenyl)-7-methoxy-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","","- C21 H15 F N2 O2 -","- C21 H15 F N2 O2 -","- C42 H30 F2 N4 O4 -","2","1","HB7049","Amr, Abd El-Galil E.; El-Agrody, Ahmed M.; Al-Omar, Mohamed A.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Amino-1-(4-fluorophenyl)-7-methoxy-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","Acta Crystallographica Section E","2013","69","4","o478","o479","10.1107/S1600536813005473","","","0.71073","MoKα","","0.0797","0.0516","","","0.1216","0.145","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237630","12.6494","0.0004","13.2145","0.0006","8.5445","0.0004","90","","100.637","0.002","90","","1403.72","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(2-Azaniumylethyl)carbamoyl]phenolate‒phenol (1/1)","","- C15 H18 N2 O3 -","- C15 H18 N2 O3 -","- C60 H72 N8 O12 -","4","1","HB7050","Yebedri, Sihem; Louhibi, Samira; Bouacida, Sofiane; Ourari, Ali; Roisnel, Thierry","2-[(2-Azaniumylethyl)carbamoyl]phenolate‒phenol (1/1)","Acta Crystallographica Section E","2013","69","4","o497","","10.1107/S1600536813005849","","","0.71073","MoKα","","0.051","0.0397","","","0.0952","0.1024","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237631","9.1491","0.0009","12.7961","0.0014","7.5828","0.0011","90","","106.317","0.013","90","","851.98","0.18","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Fluorobenzylidene)propanedinitrile","","- C10 H5 F N2 -","- C10 H5 F N2 -","- C40 H20 F4 N8 -","4","1","HB7051","El-Agrody, Ahmed M.; Al-Omar, Mohamed A.; Amr, Abd El-Galil E.; Ng, Seik Weng; Tiekink, Edward R. T.","2-(4-Fluorobenzylidene)propanedinitrile: monoclinic polymorph","Acta Crystallographica Section E","2013","69","4","o515","","10.1107/S1600536813006235","","","0.71073","MoKα","","0.0991","0.0602","","","0.157","0.1902","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237632","7.3695","0.0005","8.2367","0.0005","14.2398","0.0007","90","","90","","90","","864.36","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>o</i>-Phenylenediaminium chloride nitrate","","- C6 H10 Cl N3 O3 -","- C6 H10 Cl N3 O3 -","- C24 H40 Cl4 N12 O12 -","4","0.5","HB7052","Soudani, Sarra; Kefi, Riadh; Jelsch, Christian; Wenger, Emmanuel; Ben Nasr, Cherif","<i>o</i>-Phenylenediaminium chloride nitrate","Acta Crystallographica Section E","2013","69","4","o600","","10.1107/S1600536813007447","","","0.56085","AgKα","","0.0235","0.0235","","","0.0531","0.0531","","","","","","0.801","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237633","13.7309","0.0008","6.9177","0.0004","14.8539","0.0009","90","","90.943","0.002","90","","1410.73","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","4,5,9,9,13,19,20-Heptamethyl-23-oxo-24- oxahexacyclo[15.5.2.0^1,18^.0^4,17^.0^5,14^.0^8,13^]tetracos- 15-en-10-yl acetate","4,4,6a,6b,11,12,14b-Heptamethyl-16-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14a,14b-octadecahydro-12b,8a-(epoxymethano)picen-3-yl acetate","","- C32 H48 O4 -","- C32 H48 O4 -","- C64 H96 O8 -","2","1","HB7057","Nisar, Mohammad; Ali, Sajid; Tahir, M. Nawaz; Ahmad, Bashir; Hameed, Shahid","4,4,6a,6b,11,12,14b-Heptamethyl-16-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14a,14b-octadecahydro-12b,8a-(epoxymethano)picen-3-yl acetate","Acta Crystallographica Section E","2013","69","4","o573","","10.1107/S1600536813007253","","","0.71073","MoKα","","0.0565","0.0406","","","0.0919","0.1008","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","201979","2020-10-21","18:00:00",""
"2237634","11.136","0.0009","16.4129","0.0016","11.6066","0.0007","90","","98.17","0.007","90","","2099.9","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-phenyl-1,3-thiazole","","- C24 H17 Cl F N3 S -","- C24 H17 Cl F N3 S -","- C96 H68 Cl4 F4 N12 S4 -","4","1","HB7058","Abdel-Wahab, Bakr F.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-phenyl-1,3-thiazole","Acta Crystallographica Section E","2013","69","4","o576","","10.1107/S1600536813007496","","","0.71073","MoKα","","0.1061","0.0531","","","0.1095","0.1395","","","","","","1.027","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237635","7.1835","0.0008","18.62","0.002","12.2949","0.0011","90","","101.676","0.011","90","","1610.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Methyl-<i>N</i>'-[(3<i>Z</i>)-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene]-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","","- C18 H14 N6 O2 -","- C18 H14 N6 O2 -","- C72 H56 N24 O8 -","4","1","HB7059","Mohamed, Hanan A.; Abdel-Wahab, Bakr F.; Ng, Seik Weng; Tiekink, Edward R. T.","5-Methyl-<i>N</i>'-[(3<i>Z</i>)-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene]-1-phenyl-1<i>H</i>-1,2,3-triazole-4-carbohydrazide","Acta Crystallographica Section E","2013","69","4","o577","","10.1107/S1600536813007502","","","0.71073","MoKα","","0.1101","0.0583","","","0.1151","0.1474","","","","","","1.031","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237636","8.8438","0.0008","11.0887","0.0012","11.8001","0.0013","66.054","0.01","83.684","0.008","75.946","0.009","1025.8","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromen-2-yl]-<i>N</i>,<i>N</i>-dimethylmethanimidamide","","- C24 H20 F N3 O2 -","- C24 H20 F N3 O2 -","- C48 H40 F2 N6 O4 -","2","1","HG5296","Al-dies, Al-anood M.; Al-Omar, Mohamed A.; Amr, Abd El-Galil E.; El-Agrody, Ahmed M.; Ng, Seik Weng; Tiekink, Edward R. T.","<i>N</i>'-[3-Cyano-4-(4-fluorophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromen-2-yl]-<i>N</i>,<i>N</i>-dimethylmethanimidamide","Acta Crystallographica Section E","2013","69","4","o482","o483","10.1107/S1600536813005503","","","0.71073","MoKα","","0.1047","0.0579","","","0.1422","0.1791","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237637","7.1278","0.0004","8.4434","0.0004","10.3637","0.0006","95.341","0.004","106.14","0.005","96.745","0.004","589.8","0.06","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","2-(2,6-Dichlorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","","- C11 H8 Cl2 N2 O S -","- C11 H8 Cl2 N2 O S -","- C22 H16 Cl4 N4 O2 S2 -","2","1","HG5297","Nayak, Prakash S.; Narayana, B.; Yathirajan, H. S.; Jasinski, Jerry P.; Butcher, Ray J.","2-(2,6-Dichlorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","Acta Crystallographica Section E","2013","69","4","o523","","10.1107/S1600536813006260","","","0.71073","MoKα","","0.0613","0.0405","","","0.0853","0.0958","","","","","","1.048","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237638","11.4082","0.0018","12.523","0.002","14.007","0.003","73.306","0.008","71.646","0.008","64.945","0.007","1692.8","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","7-Iodo-3,3-diphenyloctahydrobenzofuran","","- C20 H21 I O -","- C20 H21 I O -","- C80 H84 I4 O4 -","4","2","HG5298","Sohail, Muhammad; Yao-Feng, Wang; Qi, Wang; Chen, Fu-Xue","7-Iodo-3,3-diphenyloctahydrobenzofuran","Acta Crystallographica Section E","2013","69","4","o585","","10.1107/S1600536813007563","","","0.71073","MoKα","","0.0567","0.0389","","","0.0816","0.0906","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237639","7.8777","0.0001","9.6481","0.0001","24.6757","0.0003","90","","93.19","0.001","90","","1872.57","0.04","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,3-Bis(4-bromophenylsulfanyl)-1-methylpiperidin-2-one","","- C18 H17 Br2 N O S2 -","- C18 H17 Br2 N O S2 -","- C72 H68 Br8 N4 O4 S8 -","4","1","HG5299","Zukerman-Schpector, Julio; Olivato, Paulo R.; Cerqueira Jr, Carlos R.; Contieri, Bruna; Ng, Seik Weng; Tiekink, Edward R. T.","3,3-Bis(4-bromophenylsulfanyl)-1-methylpiperidin-2-one","Acta Crystallographica Section E","2013","69","4","o556","","10.1107/S1600536813006995","","","1.5418","CuKα","","0.0311","0.0294","","","0.0754","0.0767","","","","","","1.104","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237640","9.124","0.004","9.757","0.004","10.738","0.004","104.592","0.003","110.326","0.005","101.194","0.004","824.7","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-[2-(1,3-Dithiolan-2-ylidene)hydrazinylidene](3-fluorophenyl)methyl 3-fluorobenzoate","","- C17 H12 F2 N2 O2 S2 -","- C17 H12 F2 N2 O2 S2 -","- C34 H24 F4 N4 O4 S4 -","2","1","HG5300","Yin, Ling","(<i>E</i>)-[2-(1,3-Dithiolan-2-ylidene)hydrazinylidene](3-fluorophenyl)methyl 3-fluorobenzoate","Acta Crystallographica Section E","2013","69","4","o571","","10.1107/S1600536813007319","","","0.71073","MoKα","","0.0387","0.0308","","","0.074","0.0757","","","","","","0.959","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237641","6.5449","0.0005","26.103","0.0017","14.3818","0.0008","90","","100.604","0.007","90","","2415","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(4-Fluorophenyl)-3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-<i>N</i>-phenyl-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C26 H23 F N6 S -","- C26 H23 F N6 S -","- C104 H92 F4 N24 S4 -","4","1","HG5303","Abdel-Wahab, Bakr F.; Ng, Seik Weng; Tiekink, Edward R. T.","5-(4-Fluorophenyl)-3-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-<i>N</i>-phenyl-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2013","69","4","o619","","10.1107/S1600536813008155","","","0.71073","MoKα","","0.0981","0.0555","","","0.1318","0.162","","","","","","1.029","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237642","13.484","0.002","8.8741","0.0015","29.959","0.005","90","","90","","90","","3584.8","1","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(2-Amino-7-methyl-4-oxidopteridine-6-carboxylato-κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) dihydrate","","- C13 H21 N9 Ni O5 -","- C13 H21 N9 Ni O5 -","- C104 H168 N72 Ni8 O40 -","8","1","HY2617","Baisya, Siddhartha S.; Roy, Parag S.","(2-Amino-7-methyl-4-oxidopteridine-6-carboxylato-κ^3^<i>O</i>^4^,<i>N</i>^5^,<i>O</i>^6^)(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) dihydrate","Acta Crystallographica Section E","2013","69","4","m193","m194","10.1107/S1600536813005898","","","0.71073","MoKα","","0.0434","0.0361","","0.0908","0.0876","0.0908","","","","","","0.9447","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237643","7.7161","0.0017","17.55","0.004","20.947","0.004","90","","96.8","0.004","90","","2816.6","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[diaquabis{μ-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato-κ^2^<i>O</i>:<i>N</i>^1'^}copper(II)] dimethylformamide tetrasolvate]","","- C60 H62 Cu N8 O14 -","- C60 H62 Cu N8 O14 -","- C120 H124 Cu2 N16 O28 -","2","0.5","HY2619","Sun, Yabin; Song, E.; Wang, Daguang","Poly[[diaquabis{μ-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato-κ^2^<i>O</i>:<i>N</i>^1'^}copper(II)] dimethylformamide tetrasolvate]","Acta Crystallographica Section E","2013","69","4","m202","m203","10.1107/S1600536813006430","","","0.71073","MoKα","","0.1008","0.0612","","","0.1607","0.1854","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237644","15.1157","0.0008","5.8696","0.0003","28.5419","0.0009","90","","109.682","0.003","90","","2384.4","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquabis(4-chlorobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-bis(pyridine-κ<i>N</i>)cobalt(II)","","- C24 H20 Cl2 Co N2 O5 -","- C24 H20 Cl2 Co N2 O5 -","- C96 H80 Cl8 Co4 N8 O20 -","4","1","HY2620","Chen, Ya-Li; Zhang, Chun-E; Fei, Peng; Deng, Chao; Su, Bi-Tao","Aquabis(4-chlorobenzoato)-κ^2^<i>O</i>,<i>O</i>';κ<i>O</i>-bis(pyridine-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2013","69","4","m210","","10.1107/S1600536813006752","","","0.71073","MoKα","","0.0479","0.0387","","","0.0782","0.082","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237645","9.8722","0.0003","10.7413","0.0003","13.3081","0.0003","109.319","0.001","105.045","0.001","90.374","0.001","1279.46","0.06","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Diels-Alder Adduct","Diethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene-9,10-dicarboxylate","","- C30 H30 O5 -","- C30 H30 O5 -","- C60 H60 O10 -","2","1","IM2419","Balakrishnan, B.; Nandakumar, Meganathan; Seshadri, Pandamangalam R.; Mohanakrishnan, Arasambattu K.","Diethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.0^2,7^]undeca-2,4,6-triene-9,10-dicarboxylate","Acta Crystallographica Section E","2013","69","4","o500","","10.1107/S1600536813005291","","","0.71073","MoKα","","0.0472","0.0383","","","0.1021","0.1119","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237646","7.5966","0.0015","10.877","0.002","13.515","0.003","91.339","0.005","93.456","0.004","100.129","0.005","1096.7","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Dimethyl 1-(4-methylphenyl)-8-(thiophen-2-yl)-11-oxatricyclo[6.2.1.0^2,7^]undeca-2,4,6,9-tetraene-9,10-dicarboxylate","","- C25 H20 O5 S -","- C24.991 H19.991 O5 S0.997 -","- C49.982 H39.982 O10 S1.994 -","2","1","IM2420","Balakrishnan, B.; Nandakumar, Meganathan; Seshadri, Pandamangalam R.; Mohanakrishnan, Arasambattu K.","Dimethyl 1-(4-methylphenyl)-8-(thiophen-2-yl)-11-oxatricyclo[6.2.1.0^2,7^]undeca-2,4,6,9-tetraene-9,10-dicarboxylate","Acta Crystallographica Section E","2013","69","4","o498","o499","10.1107/S1600536813005308","","","0.71073","MoKα","","0.0572","0.0413","","","0.1161","0.129","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237647","7.2182","0.0012","9.0635","0.0014","9.9589","0.0015","79.202","0.002","71.683","0.002","85.494","0.003","607.43","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Poly[diaqua[μ~6~-4,4'-(1,4-phenylene)bis(2,6-dimethylpyridine-3,5-dicarboxylato)]dilead(II)]","","- C24 H20 N2 O10 Pb2 -","- C24 H20 N2 O10 Pb2 -","- C24 H20 N2 O10 Pb2 -","1","0.5","IM2422","Zhu, Yi; Zhang, Ming-Xing; Yang, Shan-Shan; Xiao, Feng; Zhang, Xiao-Ping; Gao, Yuan-Yuan; Li, Bing-Jie; Huang, Kun-Lin","Poly[diaqua[μ~6~-4,4'-(1,4-phenylene)bis(2,6-dimethylpyridine-3,5-dicarboxylato)]dilead(II)]","Acta Crystallographica Section E","2013","69","4","m232","m233","10.1107/S1600536813007733","","","0.71073","MoKα","","0.026","0.0221","","","0.0534","0.0552","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237648","8.6933","0.0011","11.1746","0.0018","14.8051","0.0019","87.042","0.004","74.37","0.005","75.097","0.004","1338.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5,11-Ditosyl-5<i>H</i>,11<i>H</i>-dibenzo[<i>b</i>,<i>f</i>][1,5]diazocine-6,12-dione acetic acid hemisolvate","","- C29 H24 N2 O7 S2 -","- C29 H24 N2 O7 S2 -","- C58 H48 N4 O14 S4 -","2","1","IM2423","Abbassi, Najat; Bassou, Oulemda; Rakib, El Mostapha; Saadi, Mohamed; El Ammari, Lahcen","5,11-Ditosyl-5<i>H</i>,11<i>H</i>-dibenzo[<i>b</i>,<i>f</i>][1,5]diazocine-6,12-dione acetic acid hemisolvate","Acta Crystallographica Section E","2013","69","4","o614","o615","10.1107/S1600536813007903","","","0.71073","MoKα","","0.0566","0.0417","","","0.1055","0.1136","","","","","","1.021","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2237649","7.583","0.003","15.831","0.006","21.906","0.008","90","","98.516","0.003","90","","2600.7","1.7","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[bis(4-pyridinealdoxime-κ<i>N</i>^1^)zinc]-μ-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] 4-pyridinealdoxime monosolvate]","","- C26 H22 N6 O7 Zn -","- C26 H22 N6 O7 Zn -","- C104 H88 N24 O28 Zn4 -","4","1","IS5248","Kumagai, Hitoshi; Kawata, Satoshi; Sakamoto, Yoshiyuki","<i>catena</i>-Poly[[[bis(4-pyridinealdoxime-κ<i>N</i>^1^)zinc]-μ-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] 4-pyridinealdoxime monosolvate]","Acta Crystallographica Section E","2013","69","4","m216","","10.1107/S1600536813006107","","","0.7107","MoKα","","","0.0296","","","","0.0782","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237650","8.9769","0.0017","5.6601","0.0012","12.753","0.002","90","","90.662","0.005","90","","647.9","0.2","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","2-Amino-5-bromopyridinium 5-chloro-2-hydroxybenzoate","","- C12 H10 Br Cl N2 O3 -","- C12 H10 Br Cl N2 O3 -","- C24 H20 Br2 Cl2 N4 O6 -","2","1","IS5251","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-bromopyridinium 5-chloro-2-hydroxybenzoate","Acta Crystallographica Section E","2013","69","4","o537","o538","10.1107/S160053681300665X","","","0.71073","MoKα","","0.083","0.0457","","","0.0786","0.0907","","","","","","0.909","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237651","8.0784","0.0003","10.8234","0.0004","16.4366","0.0006","91.608","0.002","101.039","0.002","105.782","0.002","1352.49","0.09","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","5-Amino-6-methylquinolin-1-ium 3-carboxypropanoate","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","2","IS5252","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Arshad, Suhana; Razak, Ibrahim Abdul","5-Amino-6-methylquinolin-1-ium 3-carboxypropanoate","Acta Crystallographica Section E","2013","69","4","o539","o540","10.1107/S1600536813006673","","","0.71073","MoKα","","0.0972","0.066","","","0.1706","0.1998","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237652","5.2926","0.0002","22.1675","0.0006","10.0529","0.0003","90","","101.77","0.003","90","","1154.64","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-4-[2-(2,4-Dimethylphenyl)hydrazinylidene]-3-methylpyrazol-5(1<i>H</i>)-one","","- C12 H14 N4 O -","- C12 H14 N4 O -","- C48 H56 N16 O4 -","4","1","IS5254","Sarojini, B. K.; Mohan, B. J.; Narayana, B.; Yathirajan, H. S.; Jasinski, Jerry P.; Butcher, Ray J.","(<i>Z</i>)-4-[2-(2,4-Dimethylphenyl)hydrazinylidene]-3-methylpyrazol-5(1<i>H</i>)-one","Acta Crystallographica Section E","2013","69","4","o532","","10.1107/S1600536813006661","","","1.54178","CuKα","","0.0489","0.0433","","","0.1174","0.124","","","","","","1.049","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237653","10.027","0.0011","11.2196","0.0013","21.445","0.002","90","","102.912","0.001","90","","2351.5","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(6-Benzyl-7-oxo-1,2,3,4,5,5a,5a^1^,6,7,7a,8,12b-dodecahydrobenzo\ [<i>f</i>]cycloocta[<i>cd</i>]isoindol-8-yl)benzonitrile","4-[3-Benzyl-2-oxo-3-azatetracyclo[8.7.1.0^4,18^.0^11,16^]octadeca-11(16),12,14-trien-17-yl]benzonitrile","","- C31 H30 N2 O -","- C31 H30 N2 O -","- C124 H120 N8 O4 -","4","1","IS5255","Zhang, Yu-Long; Hu, Yi-Min","4-(6-Benzyl-7-oxo-1,2,3,4,5,5a,5a^1^,6,7,7a,8,12b-dodecahydrobenzo[<i>f</i>]cycloocta[<i>cd</i>]isoindol-8-yl)benzonitrile","Acta Crystallographica Section E","2013","69","4","o550","","10.1107/S1600536813006880","","","0.71073","MoKα","","0.0616","0.0463","","","0.1166","0.1278","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237654","9.6167","0.0002","6.4772","0.0001","11.7326","0.0004","90","","96.162","0.002","90","","726.59","0.03","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","7-nitrotropolone","2-Hydroxy-7-nitrocyclohepta-2,4,6-trien-1-one","","- C7 H5 N O4 -","- C7 H5 N O4 -","- C28 H20 N4 O16 -","4","1","KJ2222","Lyczko, Krzysztof; Lyczko, Monika","2-Hydroxy-7-nitrocyclohepta-2,4,6-trien-1-one","Acta Crystallographica Section E","2013","69","4","o536","","10.1107/S1600536813006594","","","1.54178","CuKα","","0.0393","0.0384","","","0.1046","0.1055","","","","","","1.069","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237655","5.2708","0.0001","14.8465","0.0004","19.8427","0.0005","90","","100.383","0.001","90","","1527.32","0.06","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-2-oxoethyl naphthalene-1-carboxylate","","- C19 H13 Cl O3 -","- C19 H13 Cl O3 -","- C76 H52 Cl4 O12 -","4","1","KQ2003","Garudachari, B.; Isloor, Arun M.; Gerber, Thomas; Hosten, Eric; Betz, Richard","2-(4-Chlorophenyl)-2-oxoethyl naphthalene-1-carboxylate","Acta Crystallographica Section E","2013","69","4","o551","","10.1107/S1600536813006958","","","0.71073","MoKα","","0.0471","0.0354","","","0.0936","0.103","","","","","","1.021","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237656","10.4595","0.0002","11.902","0.0003","12.6423","0.0003","69.439","0.001","70.466","0.001","67.058","0.001","1320.95","0.05","293","2","293","2","","","","","","","","5","P 1","P 1","1","","Bis{(<i>R</i>)-1-(3-aminosulfonyl-4-methoxyphenyl)-<i>N</i>-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate","","- C46 H74 N4 O18 S2 -","- C46 H74 N4 O18 S2 -","- C46 H74 N4 O18 S2 -","1","1","LD2093","Ham, Zoran; Meden, Anton; Kasunič, Marta","Bis{(<i>R</i>)-1-(3-aminosulfonyl-4-methoxyphenyl)-<i>N</i>-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate","Acta Crystallographica Section E","2013","69","4","o516","o517","10.1107/S1600536813005254","","","0.71073","MoKα","","0.0667","0.0472","","","0.1268","0.1431","","","","","","0.996","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237657","8.0737","0.0004","9.9428","0.0005","15.0887","0.0008","87.77","0.001","87.779","0.003","80.678","0.004","1193.7","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Hydroxy-6-methyl-3-[3-(thiophen-2-yl)acryloyl]-2<i>H</i>-pyran-2-one","","- C13 H10 O4 S -","- C13 H10 O4 S -","- C52 H40 O16 S4 -","4","2","LD2095","Thabti, Salima; Djedouani, Amel; Bendaas, Abderrahmen; Boufas, Sihem; Loui, Rémi; Mandon, Dominique","4-Hydroxy-6-methyl-3-[3-(thiophen-2-yl)acryloyl]-2<i>H</i>-pyran-2-one","Acta Crystallographica Section E","2013","69","4","o524","o525","10.1107/S1600536813003826","","","0.71073","MoKα","","0.0739","0.0539","","","0.1455","0.1568","","","","","","1.06","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237658","7.9174","0.0003","8.8032","0.0003","9.3585","0.0003","78.374","0.002","86.599","0.002","73.528","0.002","612.67","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl (2<i>Z</i>)-2-bromomethyl-3-(2,4-dichlorophenyl)prop-2-enoate","","- C11 H9 Br Cl2 O2 -","- C11 H9 Br Cl2 O2 -","- C22 H18 Br2 Cl4 O4 -","2","1","LD2096","Swaminathan, K.; Sethusankar, K.; Devaraj, Anthonisamy; Bakthadoss, Manickam","Methyl (2<i>Z</i>)-2-bromomethyl-3-(2,4-dichlorophenyl)prop-2-enoate","Acta Crystallographica Section E","2013","69","4","o572","","10.1107/S1600536813007368","","","0.71073","MoKα","","0.0837","0.0374","","","0.0865","0.1015","","","","","","1.002","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237659","11.0298","0.0002","12.2135","0.0004","14.8542","0.0004","92.244","0.002","95.702","0.0019","93.379","0.002","1985.64","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","4-Amino-<i>N</i>-<i>tert</i>-butyl-5-oxo-3-(propan-2-yl)-1<i>H</i>-1,2,4-triazole-1-carboxamide","","- C10 H19 N5 O2 -","- C10 H19 N5 O2 -","- C60 H114 N30 O12 -","6","3","LD2097","Kaur, Manpreet; Butcher, Ray J.; Jasinski, Jerry P.; Yathirajan, H. S.; Siddaraju, B. P.","Amicarbazone","Acta Crystallographica Section E","2013","69","4","o603","","10.1107/S1600536813007782","","","1.54184","CuKα","","0.0454","0.0438","","","0.1133","0.1146","","","","","","1.051","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237660","10.0845","0.0002","14.6026","0.0003","25.8591","0.0006","90","","93.414","0.002","90","","3801.25","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cinnarizinium bis(<i>p</i>-toluenesulfonate) dihydrate","1-Benzhydryl-4-cinnamylpiperazine-1,4-diium bis(<i>p</i>-toluenesulfonate) dihydrate","","- C40 H48 N2 O8 S2 -","- C40 H48 N2 O8 S2 -","- C160 H192 N8 O32 S8 -","4","1","LH5578","Kavitha, C. N.; Butcher, Ray J.; Jasinski, Jerry P.; Yathirajan, H. S.; Dayananda, A. S.","Cinnarizinium bis(<i>p</i>-toluenesulfonate) dihydrate","Acta Crystallographica Section E","2013","69","4","o485","o486","10.1107/S1600536813003991","","","1.54184","CuKα","","0.0572","0.0535","","","0.1371","0.1402","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237661","7.9716","0.0009","20.665","0.003","20.194","0.004","90","","92.745","0.012","90","","3322.8","0.9","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,3-Bis(2,3,5,6-tetrafluoro-4-iodophenoxy)-2,2-bis[(2,3,5,6-tetrafluoro-4-iodophenoxy)methyl]propane","","- C29 H8 F16 I4 O4 -","- C29 H8 F16 I4 O4 -","- C116 H32 F64 I16 O16 -","4","1","LH5584","Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio","1,3-Bis(2,3,5,6-tetrafluoro-4-iodophenoxy)-2,2-bis[(2,3,5,6-tetrafluoro-4-iodophenoxy)methyl]propane","Acta Crystallographica Section E","2013","69","4","o579","o580","10.1107/S1600536813007605","","","0.71073","MoKα","","0.05","0.0376","","","0.0877","0.0928","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237662","9.6132","0.0009","9.8928","0.001","25.724","0.002","83.215","0.002","84.102","0.002","72.564","0.002","2311.8","0.4","100","1","100","0.1","","","","","","","","5","P -1","-P 1","2","","2-Amino-6-methyl-5-{5-[(naphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-ylsulfanyl}-4-(3-nitrophenyl)pyridine-3-carbonitrile","","- C26 H18 N6 O4 S -","- C26 H18 N6 O4 S -","- C104 H72 N24 O16 S4 -","4","2","LH5588","Fun, Hoong-Kun; Chidan Kumar, C. S.; Patrao, Prescilla; Khader, A. M. A.; Kalluraya, Balakrishna","2-Amino-6-methyl-5-{5-[(naphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-ylsulfanyl}-4-(3-nitrophenyl)pyridine-3-carbonitrile","Acta Crystallographica Section E","2013","69","4","o491","o492","10.1107/S1600536813005837","","","0.71073","MoKα","","0.0645","0.0563","","","0.1574","0.1638","","","","","","1.203","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237663","12.0925","0.0018","8.446","0.0012","15.109","0.002","90","","92.34","0.003","90","","1541.8","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(3,5-Dimethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","LH5589","Lim, Yoongho; Koh, Dongsoo","(<i>E</i>)-3-(3,5-Dimethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","4","o514","","10.1107/S1600536813006302","","","0.71073","MoKα","","0.1222","0.0425","","","0.0899","0.1316","","","","","","0.814","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237664","9.3526","0.0003","11.4793","0.0003","13.6089","0.0004","90","","93.612","0.002","90","","1458.17","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4,6-trinitrophenyl 4-chlorobenzoate","2,4,6-Trinitrophenyl 4-chlorobenzoate","","- C13 H6 Cl N3 O8 -","- C13 H6 Cl N3 O8 -","- C52 H24 Cl4 N12 O32 -","4","1","LH5591","Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Ellena, Javier; Tenorio, Juan C.; De Simone, Carlos A.","2,4,6-Trinitrophenyl 4-chlorobenzoate","Acta Crystallographica Section E","2013","69","4","o570","","10.1107/S1600536813007332","","","0.71073","MoKα","","0.0672","0.0484","","","0.1318","0.151","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237665","11.1308","0.0008","14.7928","0.0009","23.1448","0.0017","90","","90.916","0.008","90","","3810.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(2,2'-bipyridine)copper(II) pentacyanidonitrosoferrate(II) methanol disolvate monohydrate","","- C37 H34 Cu Fe N12 O4 -","- C37 H34 Cu Fe N12 O4 -","- C148 H136 Cu4 Fe4 N48 O16 -","4","1","LH5592","Rusanova, Julia A.; Nesterova, Oksana V.; Zubatyuk, Roman I.; Kozachuk, Olesia V.","Tris(2,2'-bipyridine)copper(II) pentacyanidonitrosoferrate(II) methanol disolvate monohydrate","Acta Crystallographica Section E","2013","69","4","m212","m213","10.1107/S1600536813006867","","","0.71073","MoKα","","0.1008","0.0508","","","0.1038","0.1099","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237666","6.171","0.0003","12.8881","0.0007","13.349","0.0008","89.933","0.005","76.959","0.005","82.114","0.004","1024.03","0.1","294.1","0.4","294.1","0.4","","","","","","","","5","P -1","-P 1","2","","(4-Chlorobenzoyl)(4-chlorophenyl)amino 3-(2-nitrophenyl)propanoate","","- C22 H16 Cl2 N2 O5 -","- C22 H16 Cl2 N2 O5 -","- C44 H32 Cl4 N4 O10 -","2","1","LH5593","Ding, Yi-lan; Shao, Chang-jiang","(4-Chlorobenzoyl)(4-chlorophenyl)amino 3-(2-nitrophenyl)propanoate","Acta Crystallographica Section E","2013","69","4","o561","","10.1107/S1600536813007174","","","0.7107","MoKα","","0.0651","0.0439","","","","0.1126","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237667","10.1271","0.0004","19.1711","0.0008","14.3154","0.0006","90","","91.956","0.002","90","","2777.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","822 [Ir(Tp^Me2^)(=C(Me)-Ph-O-)Cl].CHCl~3~","Chlorido[1-(2-oxidophenyl)ethylidene][tris(3,5-dimethylpyrazol-1-yl)hydroborato]iridium(III) chloroform monosolvate","","- C24 H30 B Cl4 Ir N6 O -","- C24 H30 B Cl4 Ir N6 O -","- C96 H120 B4 Cl16 Ir4 N24 O4 -","4","1","LH5594","Santos, Laura L.; Paneque, Margarita; Mereiter, Kurt","Chlorido[1-(2-oxidophenyl)ethylidene][tris(3,5-dimethylpyrazol-1-yl)hydroborato]iridium(III) chloroform monosolvate","Acta Crystallographica Section E","2013","69","4","m224","m225","10.1107/S1600536813007344","","","0.71073","MoKα","","0.0342","0.0276","","","0.0678","0.0709","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237668","15.041","0.0005","10.546","0.0003","20.417","0.0008","90","","94.953","0.001","90","","3226.5","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trimethylammonium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate 0.125-hydrate","","- C13 H15.25 N5 O7.125 -","- C13 H15 N5 O7.125 -","- C104 H120 N40 O57 -","8","2","LH5595","Mangaiyarkarasi, Govindan; Kalaivani, Doraisamyraja","Trimethylammonium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate 0.125-hydrate","Acta Crystallographica Section E","2013","69","4","o592","o593","10.1107/S1600536813007915","","","0.71073","MoKα","","0.0733","0.0448","","","0.1095","0.1302","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237669","11.9488","0.0003","9.2952","0.0003","12.4067","0.0003","90","","117.116","0.002","90","","1226.51","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-6-methylpyridinium 4-hydroxybenzoate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","LX2273","Kannan, V.; Sugumar, P.; Brahadeeswaran, S.; Ponnuswamy, M. N.","2-Amino-6-methylpyridinium 4-hydroxybenzoate","Acta Crystallographica Section E","2013","69","4","o610","","10.1107/S1600536813007939","","","0.71073","MoKα","","0.0529","0.0412","","","0.112","0.1218","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237670","20.7448","0.0004","6.393","0.0001","15.7434","0.0003","90","","124.309","0.001","90","","1724.64","0.06","124","2","124","2","","","","","","","","4","C 1 2 1","C 2y","5","","(3<i>R</i>,4<i>S</i>)-1-(4-Methoxyphenyl)-2-oxo-4-(3-vinylphenyl)azetidin-3-yl acetate","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","MW2104","Hao, Xiao-Dong; Xie, Cheng; Hao, Yun-Peng; Chang, Jun; Sun, Xun","(3<i>R</i>,4<i>S</i>)-1-(4-Methoxyphenyl)-2-oxo-4-(3-vinylphenyl)azetidin-3-yl acetate","Acta Crystallographica Section E","2013","69","4","o601","","10.1107/S1600536813007897","","","1.54178","CuKα","","0.026","0.0255","","","0.0688","0.0693","","","","","","1.055","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237671","11.124","0.002","22.792","0.005","12.066","0.002","90","","95.51","0.03","90","","3045.1","1","223.15","","223.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[diaquabis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(ethane-1,2-diol-κ<i>O</i>)bis(μ-sulfato-κ^2^<i>O</i>:<i>O</i>')dicobalt(II)]","","- C24 H32 Co2 N4 O14 S2 -","- C24 H32 Co2 N4 O14 S2 -","- C96 H128 Co8 N16 O56 S8 -","4","0.5","MW2105","Zhong, Kai-Long","Poly[diaquabis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(ethane-1,2-diol-κ<i>O</i>)bis(μ-sulfato-κ^2^<i>O</i>:<i>O</i>')dicobalt(II)]","Acta Crystallographica Section E","2013","69","4","m207","m208","10.1107/S1600536813006685","","","0.71073","MoKα","","0.0349","0.0288","","","0.075","0.078","","","","","","1.054","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237672","14.0663","0.0012","13.1359","0.0011","14.9278","0.0013","90","","90","","90","","2758.3","0.4","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Dichloridobis(1,3-diisopropyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium-2-thiolate-κ<i>S</i>)copper(II)","","- C22 H40 Cl2 Cu N4 S2 -","- C22 H40 Cl2 Cu N4 S2 -","- C88 H160 Cl8 Cu4 N16 S8 -","4","0.5","NC2307","Flörke, Ulrich; Ahmida, Aziza; Schröder, Jörg; Egold, Hans; Henkel, Gerald","Dichloridobis(1,3-diisopropyl-4,5-dimethyl-1<i>H</i>-imidazol-3-ium-2-thiolate-κ<i>S</i>)copper(II)","Acta Crystallographica Section E","2013","69","4","m211","","10.1107/S1600536813006879","","","0.71073","MoKα","","0.0633","0.043","","","0.096","0.1039","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237673","6.3839","0.0003","12.0353","0.0005","12.8006","0.0005","108.039","0.002","96.091","0.002","100.593","0.002","905.12","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,3-Bis(6-methylpyridin-2-yl)-1<i>H</i>-imidazol-3-ium hexafluorophosphate","","- C17 H19 F6 N4 P -","- C17 H19 F6 N4 P -","- C34 H38 F12 N8 P2 -","2","1","NG5317","Bae, Hoyeon; Yoon, Minyoung; Sun, Ho-Jung; Lee, Dong-Heon; Park, Gyungse","1,3-Bis(6-methylpyridin-2-yl)-1<i>H</i>-imidazol-3-ium hexafluorophosphate","Acta Crystallographica Section E","2013","69","4","o549","","10.1107/S1600536813006971","","","0.71073","MoKα","","0.0545","0.0389","","","0.1179","0.1327","","","","","","0.974","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237674","12.1816","0.0005","15.2481","0.0006","7.4207","0.0004","90","","99.299","0.002","90","","1360.25","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4-Dichlorobenzyl 2-methoxybenzoate","","- C15 H12 Cl2 O3 -","- C15 H12 Cl2 O3 -","- C60 H48 Cl8 O12 -","4","1","NG5318","Isloor, Arun M.; Garudachari, B.; Gerber, Thomas; Hosten, Eric; Betz, Richard","2,4-Dichlorobenzyl 2-methoxybenzoate","Acta Crystallographica Section E","2013","69","4","o509","","10.1107/S1600536813006156","","","0.71073","MoKα","","0.0362","0.0286","","","0.0749","0.0799","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237675","8.8721","0.00019","8.37534","0.00017","20.7445","0.0004","90","","90.436","0.0019","90","","1541.41","0.05","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Methoxybenzyl)-9-(oxolan-2-yl)-9<i>H</i>-purin-6-amine","","- C17 H19 N5 O2 -","- C17 H19 N5 O2 -","- C68 H76 N20 O8 -","4","1","NG5319","Trávníček, Zdeněk; Popa, Igor; Dvořák, Zdeněk; Štarha, Pavel","<i>N</i>-(2-Methoxybenzyl)-9-(oxolan-2-yl)-9<i>H</i>-purin-6-amine","Acta Crystallographica Section E","2013","69","4","o588","","10.1107/S1600536813007721","","","0.71073","MoKα","","0.0405","0.0351","","","0.0849","0.0873","","","","","","1.043","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237676","14.2372","0.0014","8.0302","0.0008","11.3277","0.0009","90","","103.075","0.008","90","","1261.5","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,2-Bis(pyridin-2-yl)-1,3-diazinane","","- C14 H16 N4 -","- C14 H16 N4 -","- C56 H64 N16 -","4","1","NK2200","Haddad, Salim F.; Warad, Ismail; Jodeh, Shehdeh; Ben Hadda, Taibi","2,2-Bis(pyridin-2-yl)-1,3-diazinane","Acta Crystallographica Section E","2013","69","4","o569","","10.1107/S1600536813007459","","","0.71073","MoKα","","0.0621","0.0411","","","0.0926","0.108","","","","","","1.046","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237677","8.1691","0.0003","32.0736","0.0009","8.9869","0.0003","90","","112.258","0.005","90","","2179.23","0.15","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","sulfamethazine 3,5-dinitrosalicylate","2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidin-1-ium 2-carboxy-4,6-dinitrophenolate","","- C19 H18 N6 O9 S -","- C19 H18 N6 O9 S -","- C76 H72 N24 O36 S4 -","4","1","NK2201","Smith, Graham; Wermuth, Urs D.","2-(4-Aminobenzenesulfonamido)-4,6-dimethylpyrimidin-1-ium 2-carboxy-4,6-dinitrophenolate","Acta Crystallographica Section E","2013","69","4","o472","","10.1107/S1600536813005631","","","0.71073","MoKα","","0.0836","0.0703","","","0.1509","0.158","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237678","7.9814","0.0005","8.1158","0.0005","13.944","0.0009","97.232","0.001","102.721","0.001","107.915","0.001","819.89","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2-Benzylsulfanyl-<i>N</i>-(1,3-dimethylimidazolidin-2-ylidene)aniline","","- C18 H21 N3 S -","- C18 H21 N3 S -","- C36 H42 N6 S2 -","2","1","NK2203","Flörke, Ulrich; Neuba, Adam; Henkel, Gerald","2-Benzylsulfanyl-<i>N</i>-(1,3-dimethylimidazolidin-2-ylidene)aniline","Acta Crystallographica Section E","2013","69","4","o554","","10.1107/S1600536813007101","","","0.71073","MoKα","","0.0376","0.0349","","","0.0927","0.095","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237679","5.524","0.0005","7.4735","0.0005","23.1229","0.0018","90","","90","","90","","954.6","0.13","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Carboxy(phenyl)methanaminium bromide","<i>D</i>-Phenylglycinium bromide","","- C8 H10 Br N O2 -","- C8 H10 Br N O2 -","- C32 H40 Br4 N4 O8 -","4","1","PK2465","Parthasarathy, Mohanadoss; Arun Kumar, Kannan; Gopalakrishnan, Rengasamy","<small>D</small>-Phenylglycinium bromide","Acta Crystallographica Section E","2013","69","4","o470","","10.1107/S1600536813004807","","","0.71073","MoKα","","0.0255","0.0216","","","0.045","0.046","","","","","","1.032","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237680","8.76532","0.00016","11.4266","0.0002","14.1972","0.0003","99.08","0.001","99.036","0.001","104.277","0.001","1331.94","0.05","193","2","193","2","","","","","","","","3","P -1","-P 1","2","1,8-Bis(1-naphthoyl)-2,7-diethoxynaphthalene","{2,7-Diethoxy-8-[(naphthalen-1-yl)carbonyl]naphthalen-1-yl}(naphthalen-1-yl)methanone","","- C36 H28 O4 -","- C36 H28 O4 -","- C72 H56 O8 -","2","1","PK2467","Tsumuki, Takehiro; Takeuchi, Ryo; Kawano, Hiroyuki; Yonezawa, Noriyuki; Okamoto, Akiko","{2,7-Diethoxy-8-[(naphthalen-1-yl)carbonyl]naphthalen-1-yl}(naphthalen-1-yl)methanone","Acta Crystallographica Section E","2013","69","4","o495","o496","10.1107/S1600536813005710","","","1.54187","CuKα","","0.0422","0.037","","","0.1012","0.1059","","","","","","1.072","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237681","9.787","0.002","10.993","0.003","12.781","0.003","90","","95.722","0.004","90","","1368.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-(4-Fluorophenyl)‒3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one monohydrate","","- C16 H15 F O4 -","- C16 H15 F O4 -","- C64 H60 F4 O16 -","4","1","PK2468","Payton-Stewart, Florastina; Ravi Kiran Pingali, Subramanya; Donahue, James P.","The chalcone derivative (<i>E</i>)-1-(4-fluorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one monohydrate","Acta Crystallographica Section E","2013","69","4","o558","o559","10.1107/S160053681300696X","","","0.71073","MoKα","","0.0453","0.0409","","","0.1068","0.1102","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237682","13.5078","0.0002","7.9272","0.0001","20.9276","0.0003","90","","124.027","0.001","90","","1857.21","0.05","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2,6-Dimethoxypyridin-3-yl)-9-methyl-9<i>H</i>-carbazole-3-sulfonamide","","- C20 H19 N3 O4 S -","- C20 H19 N3 O4 S -","- C80 H76 N12 O16 S4 -","4","1","PK2469","Shan, Guangzhi; Li, Zhuorong; Hu, Laixing; Jiang, Jiandong; Liu, Zongying","<i>N</i>-(2,6-Dimethoxypyridin-3-yl)-9-methyl-9<i>H</i>-carbazole-3-sulfonamide","Acta Crystallographica Section E","2013","69","4","o584","","10.1107/S1600536813007460","","","1.54184","CuKα","","0.035","0.0339","","","0.0876","0.0884","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237683","11.9379","0.0003","10.3704","0.0003","16.7018","0.0005","90","","90","","90","","2067.7","0.1","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(3-azaniumylpyridin-1-ium) hexachloridostannate(IV) dichloride","","- C10 H16 Cl8 N4 Sn -","- C10 H16 Cl8 N4 Sn -","- C40 H64 Cl32 N16 Sn4 -","4","0.5","PK2471","van Megen, Martin; Prömper, Stephan; Reiss, Guido J.","Bis(3-azaniumylpyridin-1-ium) hexachloridostannate(IV) dichloride","Acta Crystallographica Section E","2013","69","4","m217","","10.1107/S1600536813006806","","","0.71073","MoKα","","0.031","0.0204","","","0.0414","0.0439","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237684","11.749","0.002","11.618","0.002","10.801","0.0019","90","","115.383","0.002","90","","1332","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cyclohexane-1,4-dicarboxylic acid‒pyridinium-4-olate (1/1)","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C52 H68 N4 O20 -","4","1","PK2472","Cruz-Enríquez, Adriana; Peinado-Guevara, Hector J.; Reyes-Marquez, Viviana; Höpfl, Herbert; Campos-Gaxiola, José J.","Cyclohexane-1,4-dicarboxylic acid‒pyridinium-4-olate (1/1)","Acta Crystallographica Section E","2013","69","4","o591","","10.1107/S160053681300754X","","","0.71073","MoKα","","0.075","0.0718","","","0.1587","0.1611","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237685","13.2691","0.0015","11.0965","0.0012","14.9545","0.0017","90","","114.181","0.003","90","","2008.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-3,6-dihydropyrimidin-1-ium chloride","","- C19 H18 Br Cl2 N3 O2 -","- C19 H18 Br Cl2 N3 O2 -","- C76 H72 Br4 Cl8 N12 O8 -","4","1","PV2621","Venugopala, K. N.; Nayak, Susanta K.; Odhav, Bharti","2-(4-Bromoanilino)-6-(4-chlorophenyl)-5-methoxycarbonyl-4-methyl-3,6-dihydropyrimidin-1-ium chloride","Acta Crystallographica Section E","2013","69","4","o518","o519","10.1107/S1600536813006296","","","0.71073","MoKα","","0.0911","0.0444","","","0.0864","0.0959","","","","","","0.95","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237686","8.1373","0.0003","13.9025","0.0005","13.7886","0.0005","90","","92.913","0.001","90","","1557.87","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>'-(3,4-Dihydroxybenzylidene)-2,4-dimethylbenzohydrazide monohydrate","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","PV2622","Taha, Muhammad; Ismail, Nor Hadiani; Jaafar, Faridahanim Mohd; Aziz, Ahmad Nazif; Yousuf, Sammer","(<i>E</i>)-<i>N</i>'-(3,4-Dihydroxybenzylidene)-2,4-dimethylbenzohydrazide monohydrate","Acta Crystallographica Section E","2013","69","4","o490","","10.1107/S1600536813005692","","","0.71073","MoKα","","0.0445","0.0397","","","0.1057","0.1105","","","","","","1.053","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237687","11.083","0.002","10.0452","0.0017","12.846","0.002","90","","105.681","0.006","90","","1376.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(3-chloropyrazin-2-yloxy)benzene","","- C14 H8 Cl2 N4 O2 -","- C14 H8 Cl2 N4 O2 -","- C56 H32 Cl8 N16 O8 -","4","1","PV2624","Srinivasan, Thothadri; Kalpana, Venkatesan; Rajakumar, Perumal; Velmurugan, Devadasan","1,4-Bis(3-chloropyrazin-2-yloxy)benzene","Acta Crystallographica Section E","2013","69","4","o611","","10.1107/S1600536813007824","","","0.71073","MoKα","","0.0429","0.0322","","","0.0837","0.0919","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237688","8.88","0.004","17.05","0.005","13.95","0.005","90","","103.527","0.014","90","","2053.5","1.3","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>,5<i>E</i>)-2,5-Bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone ethanol monosolvate","","- C23 H26 O6 -","- C23 H26 O6 -","- C92 H104 O24 -","4","1","QK2050","Da'i, Muhammad; Yanuar, Arry; Meiyanto, Edy; Jenie, Umar Anggara; Supardjan, Amir Margono","(2<i>E</i>,5<i>E</i>)-2,5-Bis(4-hydroxy-3-methoxybenzylidene)cyclopentanone ethanol monosolvate","Acta Crystallographica Section E","2013","69","4","o530","","10.1107/S1600536813005229","","","0.71075","MoKα","","0.1752","0.0698","","","0.1233","0.1569","","","","","","1.004","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237689","8.3628","0.0017","9.0904","0.0018","9.5093","0.0019","71.3","0.03","76.43","0.03","78.64","0.03","659.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(7-Methyl-1,8-naphthyridin-2-yl)acetamide‒acetic acid (1/1)","","- C13 H15 N3 O3 -","- C13 H15 N3 O3 -","- C26 H30 N6 O6 -","2","1","QM2092","Gou, Gao-Zhang; Ma, Rui; Zhou, Qing-Di; Chi, Shao-Ming","<i>N</i>-(7-Methyl-1,8-naphthyridin-2-yl)acetamide‒acetic acid (1/1)","Acta Crystallographica Section E","2013","69","4","o489","","10.1107/S1600536813005242","","","0.71073","MoKα","","0.1563","0.0472","","","0.1121","0.1597","","","","","","0.907","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237690","6.6552","0.0007","24.872","0.003","14.8636","0.0015","90","","93.7529","0.0016","90","","2455.1","0.5","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>Z</i>)-9-(1,2-Dichlorovinyl)-9<i>H</i>-carbazole","","- C14 H9 Cl2 N -","- C14 H9 Cl2 N -","- C112 H72 Cl16 N8 -","8","2","QM2093","Ukai, Miho; Tabata, Hideyuki; Okuno, Tsunehisa","(<i>Z</i>)-9-(1,2-Dichlorovinyl)-9<i>H</i>-carbazole","Acta Crystallographica Section E","2013","69","4","o555","","10.1107/S1600536813007137","","","0.71075","MoKα","","","0.0352","","","","0.0915","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237691","9.064","0.002","11.417","0.003","12.311","0.003","90","","90","","90","","1274","0.5","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-Cyclohexyl-3-methylbenzamidine","","- C14 H20 N2 -","- C14 H20 N2 -","- C56 H80 N8 -","4","1","RK2395","Liu, Rui-Qin; Bai, Sheng-Di; Wang, Tao","<i>N</i>-Cyclohexyl-3-methylbenzamidine","Acta Crystallographica Section E","2013","69","4","o520","","10.1107/S1600536813006272","","","0.71073","MoKα","","0.0588","0.04","","","0.0871","0.0976","","","","","","1.018","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237692","9.977","0.005","14.922","0.007","11.709","0.006","90","","106.61","0.005","90","","1670.5","1.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Bis(1-benzoyl-7-methoxynaphthalen-2-yl) terephthalate","","- C44 H30 O8 -","- C44 H30 O8 -","- C88 H60 O16 -","2","0.5","RN2113","Sakamoto, Rei; Hijikata, Daichi; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko","Bis(1-benzoyl-7-methoxynaphthalen-2-yl) terephthalate","Acta Crystallographica Section E","2013","69","4","o557","","10.1107/S1600536813007186","","","0.7107","MoKα","","0.0589","0.0435","","","0.1113","0.1216","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237693","8.4974","0.0004","46.582","0.002","14.7342","0.0007","90","","103.618","0.004","90","","5668.2","0.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,2-Bis(diisopropylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>'](carbonato-κ^2^<i>O</i>,<i>O</i>')nickel(II)","","- C15 H32 Ni O3 P2 -","- C15 H32 Ni O3 P2 -","- C180 H384 Ni12 O36 P24 -","12","3","RU2049","Morales-Becerril, Illan; Flores-Alamo, Marcos; Garcia, Juventino J.","[1,2-Bis(diisopropylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>'](carbonato-κ^2^<i>O</i>,<i>O</i>')nickel(II)","Acta Crystallographica Section E","2013","69","4","m200","m201","10.1107/S1600536813006521","","","0.71073","MoKα","","0.0921","0.0618","","","0.0869","0.0963","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237694","5.4705","0.0001","5.4705","0.0001","13.0895","0.0004","90","","90","","120","","339.241","0.014","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","Ammonium diphosphitoindate(III)","","- H6 In N O6 P2 -","- H6 In N O6 P2 -","- H12 In2 N2 O12 P4 -","2","0.166667","RU2050","Hamchaoui, Farida; Rebbah, Houria; Le Fur, Eric","Ammonium diphosphitoindate(III)","Acta Crystallographica Section E","2013","69","4","i21","i22","10.1107/S160053681300771X","","","0.71073","MoKα","","0.0194","0.0172","","","0.0403","0.0408","","","","","","1.262","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2237695","9.3145","0.0004","25.3673","0.0012","9.5565","0.0005","90","","115.082","0.001","90","","2045.12","0.17","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-(4-Chlorophenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide ethanol monosolvate","","- C20 H24 Cl N3 O2 S -","- C20 H24 Cl N3 O2 S -","- C80 H96 Cl4 N12 O8 S4 -","4","1","RZ5045","Quah, Ching Kheng; Fun, Hoong-Kun; Suwunwong, Thitipone; Boonnak, Nawong; Chantrapromma, Suchada","3-(4-Chlorophenyl)-5-(4-ethoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide ethanol monosolvate","Acta Crystallographica Section E","2013","69","4","o464","o465","10.1107/S1600536813005369","","","0.71073","MoKα","","0.0302","0.027","","","0.0674","0.0705","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237696","8.1435","0.0002","16.4887","0.0004","10.5506","0.0003","90","","125.882","0.002","90","","1147.84","0.06","100","0.1","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[(2-oxo-2<i>H</i>-chromen-7-yl)oxy]acetate","","- C13 H12 O5 -","- C13 H12 O5 -","- C52 H48 O20 -","4","1","RZ5046","Fun, Hoong-Kun; Quah, Ching Kheng; Aich, Krishnendu; Das, Sangita; Goswami, Shyamaprosad","Ethyl 2-[(2-oxo-2<i>H</i>-chromen-7-yl)oxy]acetate","Acta Crystallographica Section E","2013","69","4","o502","","10.1107/S1600536813005539","","","0.71073","MoKα","","0.0805","0.0485","","","0.0988","0.1142","","","","","","1.038","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237697","14.7026","0.0003","6.2586","0.0001","14.7035","0.0003","90","","97.447","0.002","90","","1341.57","0.04","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Hydroxymethyl-2-pivaloylamino-1,8-naphthyridine","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","RZ5047","Fun, Hoong-Kun; Quah, Ching Kheng; Aich, Krishnendu; Das, Sangita; Goswami, Shyamaprosad","7-Hydroxymethyl-2-pivaloylamino-1,8-naphthyridine","Acta Crystallographica Section E","2013","69","4","o503","","10.1107/S1600536813005527","","","0.71073","MoKα","","0.1156","0.0737","","","0.133","0.1476","","","","","","1.141","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237698","4.7548","0.0004","12.3971","0.0009","14.858","0.0011","90","","97.35","0.002","90","","868.62","0.12","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)acetone","","- C7 H9 N3 O3 -","- C7 H9 N3 O3 -","- C28 H36 N12 O12 -","4","1","RZ5048","Yousuf, Sammer; Khan, Khalid M.; Naz, Frazana; Perveen, Shahanaz; Miana, Ghulam A.","1-(2-Methyl-5-nitro-1<i>H</i>-imidazol-1-yl)acetone","Acta Crystallographica Section E","2013","69","4","o552","","10.1107/S1600536813006569","","","0.71073","MoKα","","0.0508","0.0414","","","0.1115","0.1215","","","","","","1.056","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237699","9.5969","0.0003","19.0805","0.0005","11.0678","0.0003","90","","97.387","0.001","90","","2009.84","0.1","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","","- C21 H24 Br N O4 -","- C21 H24 Br N O4 -","- C84 H96 Br4 N4 O16 -","4","1","RZ5051","Kurbanova, Malahat M.; Huseynov, Elnur Z.; Gurbanov, Atash V.; Maharramov, Abel M.; Kia, Reza","Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2013","69","4","o541","","10.1107/S1600536813006739","","","0.71073","MoKα","","0.0724","0.0497","","","0.1245","0.1362","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237700","5.6565","0.0004","10.4019","0.0006","10.95","0.0005","89.693","0.004","87.202","0.005","76.412","0.005","625.49","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Phenazin-5-ium hydrogen sulfate monohydrate","","- C12 H12 N2 O5 S -","- C12 H12 N2 O5 S -","- C24 H24 N4 O10 S2 -","2","1","SJ5299","deGeorge, Joseph; Landee, Christopher P.; Turnbull, Mark M.","Phenazin-5-ium hydrogen sulfate monohydrate","Acta Crystallographica Section E","2013","69","4","o471","","10.1107/S160053681300562X","","","1.54184","CuKα","","0.0329","0.032","","","0.0874","0.0881","","","","","","1.088","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237701","9.2188","0.0005","7.2767","0.0004","9.562","0.0005","90","","93.625","0.006","90","","640.16","0.06","90","0.5","90","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>Z</i>)-1-(2-Hydroxyethyl)-4-(2-methoxybenzylidene)-2-methyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C28 H32 N4 O6 -","2","1","SJ5304","Wu, Hongyi; Wang, Weihua; Walker, Jr, Edwin H.; Fronczek, Frank R.","(<i>Z</i>)-1-(2-Hydroxyethyl)-4-(2-methoxybenzylidene)-2-methyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2013","69","4","o604","o605","10.1107/S1600536813007770","","","0.71073","MoKα","","0.0334","0.0315","","","0.0852","0.0865","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237702","7.1748","0.0003","11.7299","0.0006","15.0103","0.0007","103.224","0.004","98.569","0.004","92.181","0.004","1212.62","0.1","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","Tetraaquabis(3,5-dinitrobenzoato-κ<i>O</i>^1^)magnesium tetrahydrate","","- C14 H22 Mg N4 O20 -","- C14 H22 Mg N4 O20 -","- C28 H44 Mg2 N8 O40 -","2","1","SJ5305","Smith, Graham","Tetraaquabis(3,5-dinitrobenzoato-κ<i>O</i>^1^)magnesium tetrahydrate","Acta Crystallographica Section E","2013","69","4","m215","","10.1107/S160053681300682X","","","0.71073","MoKα","","0.0475","0.0364","","","0.0874","0.0946","","","","","","0.944","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237703","6.4001","0.0004","10.2719","0.0007","10.9162","0.0008","110.928","0.006","104.327","0.006","93.937","0.005","639.6","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Hexaaquacopper(II) bis(tetrafluoridoborate)‒pyrazine 1,4-dioxide (1/3)","","- C12 H24 B2 Cu F8 N6 O12 -","- C12 H24 B2 Cu F8 N6 O12 -","- C12 H24 B2 Cu F8 N6 O12 -","1","0.5","SJ5306","Wikaira, Jan L.; Landee, Christopher P.; Turnbull, Mark M.","Hexaaquacopper(II) bis(tetrafluoridoborate)‒pyrazine 1,4-dioxide (1/3)","Acta Crystallographica Section E","2013","69","4","m229","m230","10.1107/S1600536813007629","","","1.54184","CuKα","","0.0456","0.0453","","","0.1109","0.111","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237704","8.8081","0.0006","9.8474","0.0005","10.3292","0.0008","94.997","0.012","93.811","0.014","106.719","0.013","850.85","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-3-(4-Methoxyphenyl)-3-[3-(4-methoxyphenyl)-1<i>H</i>-pyrazol-1-yl]prop-2-enal","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C40 H36 N4 O6 -","2","1","SJ5307","Susindran, V.; Athimoolam, S.; Bahadur, S. Asath; Manikannan, R.; Muthusubramanian, S.","(<i>E</i>)-3-(4-Methoxyphenyl)-3-[3-(4-methoxyphenyl)-1<i>H</i>-pyrazol-1-yl]prop-2-enal","Acta Crystallographica Section E","2013","69","4","o594","o595","10.1107/S1600536813007678","","","0.71073","MoKα","","0.0443","0.0401","","","0.1038","0.1074","","","","","","1.041","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237705","27.85","0.03","9.281","0.01","9.981","0.011","90","","94.849","0.018","90","","2571","5","99","2","99","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(Decyloxy)phenyl 2-oxo-7-trifluoromethyl-2<i>H</i>-chromene-3-carboxylate","","- C27 H29 F3 O5 -","- C27 H29 F3 O5 -","- C108 H116 F12 O20 -","4","1","SJ5309","Palakshamurthy, B. S.; Devarajegowda, H. C.; Srinivasa, H. T.; Sreenivasa, S.; Vijithkumar","4-(Decyloxy)phenyl 2-oxo-7-trifluoromethyl-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2013","69","4","o621","o622","10.1107/S1600536813008222","","","0.71073","MoKα","","0.1416","0.0837","","","0.1979","0.2209","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237706","8.9643","0.0011","30.539","0.006","8.9625","0.0012","90","","90","","90","","2453.6","0.7","296","2","296","2","","","","","","","","4","I b c a","-I 2b 2c","73","","Poly[μ-aqua-aqua-μ~4~-naphthalene-1,8-dicarboxylato-barium]","","- C12 H8 Ba O5 -","- C12 H8 Ba O5 -","- C96 H64 Ba8 O40 -","8","0.5","SU2556","Zhao, Dan; Li, Fei Fei; Liang, Peng; Ren, Jun-Ran; Qiu, Shen","Poly[μ-aqua-aqua-μ~4~-naphthalene-1,8-dicarboxylato-barium]: a layer structure","Acta Crystallographica Section E","2013","69","4","m219","m220","10.1107/S1600536813006259","","","0.71073","MoKα","","0.0238","0.0193","","","0.0419","0.0433","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237707","20.623","0.004","14.626","0.003","15.471","0.003","90","","104.03","0.03","90","","4527.3","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{1-[(1<i>H</i>-benzimidazol-1-yl)methyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}bis(3,5-dicarboxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)nickel(II) octahydrate","","- C40 H46 N8 Ni O20 -","- C40 H46 N8 Ni O20 -","- C160 H184 N32 Ni4 O80 -","4","0.5","SU2557","Jia, Yong-Yan; Fan, Jing-Jing; Yin, Xiang-Ge; Zhao, Wen-Long","Bis{1-[(1<i>H</i>-benzimidazol-1-yl)methyl]-1<i>H</i>-imidazole-κ<i>N</i>^3^}bis(3,5-dicarboxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)nickel(II) octahydrate","Acta Crystallographica Section E","2013","69","4","m184","","10.1107/S1600536813003322","","","0.71073","MoKα","","0.0726","0.0638","","","0.1641","0.1717","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237708","17.075","0.003","17.075","0.003","9.4536","0.0013","90","","90","","120","","2387","0.7","293","2","293","2","","","","","","","","5","P 61","P 61","169","","2-(2-Chlorophenyl)-<i>N</i>-cyclohexyl-2-oxoacetamide","","- C14 H16 Cl N O2 -","- C14 H16 Cl N O2 -","- C84 H96 Cl6 N6 O12 -","6","1","SU2558","Jin, Xiu-Dan; Wu, Jin-Long","2-(2-Chlorophenyl)-<i>N</i>-cyclohexyl-2-oxoacetamide","Acta Crystallographica Section E","2013","69","4","o505","","10.1107/S1600536813005904","","","0.71073","MoKα","","0.0706","0.0512","","","0.1379","0.1494","","","","","","1.01","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237709","9.2737","0.0005","11.6543","0.0008","18.8489","0.0014","90","","90","","90","","2037.2","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1'<i>S</i>,12'<i>R</i>,13'<i>S</i>,17'<i>S</i>)-15',15'-Dimethyl-1,2-dihydro-11',14',16',18'-tetraoxa-7'-azaspiro[indole-3,8'-pentacyclo[10.6.0.0^2,9^.0^3,7^.0^13,17^]octadecane]-2,10'-dione","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","SU2563","Sabari, V.; Ponnusamy, R.; Prasanna, R.; Raghunathan, R.; Aravindhan, S.","(1'<i>S</i>,12'<i>R</i>,13'<i>S</i>,17'<i>S</i>)-15',15'-Dimethyl-1,2-dihydro-11',14',16',18'-tetraoxa-7'-azaspiro[indole-3,8'-pentacyclo[10.6.0.0^2,9^.0^3,7^.0^13,17^]octadecane]-2,10'-dione","Acta Crystallographica Section E","2013","69","4","o466","","10.1107/S1600536813005436","","","0.71073","MoKα","","0.0518","0.0371","","","0.0828","0.0901","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237710","7.5633","0.0015","6.7977","0.0014","21.605","0.004","90","","90.97","0.03","90","","1110.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetraaqua(pyrimidine-4,6-dicarboxylato-κ^2^<i>N</i>^1^,<i>O</i>^6^)magnesium monohydrate","","- C6 H12 Mg N2 O9 -","- C6 H12 Mg N2 O9 -","- C24 H48 Mg4 N8 O36 -","4","1","SU2567","Starosta, Wojciech; Leciejewicz, Janusz; Kiegiel, Katarzyna","Tetraaqua(pyrimidine-4,6-dicarboxylato-κ^2^<i>N</i>^1^,<i>O</i>^6^)magnesium monohydrate","Acta Crystallographica Section E","2013","69","4","m189","","10.1107/S1600536813005850","","","0.71073","MoKα","","0.0743","0.0355","","","0.1044","0.1249","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237711","13.214","0.005","12.049","0.005","9.825","0.004","90","","100.709","0.003","90","","1537","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diaquabis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}zinc","","- C36 H28 N10 O2 Zn -","- C36 H28 N10 O2 Zn -","- C72 H56 N20 O4 Zn2 -","2","0.5","SU2568","Li, Bin","Diaquabis{5-(pyridin-2-yl-κ<i>N</i>)-3-[4-(pyridin-4-yl)phenyl]-1<i>H</i>-1,2,4-triazol-1-ido-κ<i>N</i>^1^}zinc","Acta Crystallographica Section E","2013","69","4","m214","","10.1107/S1600536813005916","","","0.71073","MoKα","","0.0968","0.0572","","","0.1313","0.1513","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237712","7.376","0.003","16.468","0.007","20.075","0.009","90","","96.123","0.006","90","","2424.6","1.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,8-Bis(4-fluorobenzoyl)naphthalen-2,7-diyl dimethanesulfonate","","- C26 H18 F2 O8 S2 -","- C26 H18 F2 O8 S2 -","- C104 H72 F8 O32 S8 -","4","0.5","SU2570","Hijikata, Daichi; Sakamoto, Rei; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko","1,8-Bis(4-fluorobenzoyl)naphthalen-2,7-diyl dimethanesulfonate","Acta Crystallographica Section E","2013","69","4","o544","","10.1107/S1600536813006788","","","0.7107","MoKα","","0.086","0.0526","","","0.1063","0.1197","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237713","26.073","0.004","5.5538","0.0008","9.7591","0.0014","90","","102.211","0.003","90","","1381.2","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,2-Bis(4-methoxyphenoxy)ethane","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","0.5","SU2572","Ji, Jun; Zhang, XiuQin; Wang, Kai; Ju, ChaoFan; Chen, Qiang","1,2-Bis(4-methoxyphenoxy)ethane","Acta Crystallographica Section E","2013","69","4","o547","","10.1107/S1600536813007009","","","0.71073","MoKα","","0.0658","0.0463","","","0.1627","0.2244","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237714","6.9562","0.0004","17.505","0.0009","10.5304","0.0006","90","","100.124","0.005","90","","1262.3","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2-(quinolin-8-yloxy)acetate monohydrate","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","SU2575","Kumar, Mohan; Mallikarjunaswamy, C.; Sridhar, M. A.; Bhadregowda, D. G.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","Ethyl 2-(quinolin-8-yloxy)acetate monohydrate","Acta Crystallographica Section E","2013","69","4","o623","","10.1107/S1600536813008106","","","0.71073","MoKα","","0.1043","0.0531","","","0.1011","0.1226","","","","","","1.023","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237715","12.1746","0.0011","13.9614","0.0013","20.2985","0.0019","90","","90","","90","","3450.2","0.6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>-<i>tert</i>-Butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyrazin-3-amine","","- C18 H23 N5 -","- C18 H23 N5 -","- C144 H184 N40 -","8","1","SU2577","Fatima, Zeenat; Srinivasan, Thothadri; Koorathota, Suman; Thennarasu, Sathiah; Velmurugan, Devadasan","<i>N</i>-<i>tert</i>-Butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyrazin-3-amine","Acta Crystallographica Section E","2013","69","4","o612","o613","10.1107/S1600536813007861","","","0.71073","MoKα","","0.0716","0.0487","","","0.1313","0.1475","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237716","17.7373","0.0018","7.8367","0.0007","19.4159","0.0018","90","","109.323","0.011","90","","2546.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[5-(4-Fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-<i>1H</i>-pyrazol-3-yl]-5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole","","- C28 H23 F N6 S -","- C28 H23 F N6 S -","- C112 H92 F4 N24 S4 -","4","1","SU2580","Abdel-Wahab, Bakr F.; Ng, Seik Weng; Tiekink, Edward R. T.","4-[5-(4-Fluorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-3-yl]-5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2013","69","4","o618","","10.1107/S1600536813008179","","","0.71073","MoKα","","0.1361","0.0653","","","0.1771","0.2317","","","","","","1.058","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237717","9.9924","0.0006","13.2317","0.0008","13.2867","0.0008","116.9","0.003","92.325","0.002","98.518","0.003","1537.79","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(6'<i>R</i>*,7'<i>R</i>*)-7'-(1,3,-Diphenyl-1<i>H</i>-pyrazol-4-yl)-1,2,5',6',7',7a',3'',4''-octahydro-1'<i>H</i>,2''<i>H</i>-dispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''-[1]benzopyran]-2,4''-dione","","- C40 H29 N3 O3 S -","- C40 H29 N3 O3 S -","- C80 H58 N6 O6 S2 -","2","1","TK5201","Murugan, J.; Haribabu, J.; Reddy, B. S. R.; Rajarajan, G.; Murugavel, S.","(6'<i>R</i>*,7'<i>R</i>*)-7'-(1,3,-Diphenyl-1<i>H</i>-pyrazol-4-yl)-1,2,5',6',7',7a',3'',4''-octahydro-1'<i>H</i>,2''<i>H</i>-dispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''-[1]benzopyran]-2,4''-dione","Acta Crystallographica Section E","2013","69","4","o493","o494","10.1107/S1600536813005825","","","0.71073","MoKα","","0.0793","0.0494","","","0.1301","0.1536","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237718","7.5187","0.0005","12.5695","0.0009","11.7932","0.0008","90","","90.033","0.002","90","","1114.53","0.13","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Hydroxyphenyl)-4-nitrobenzamide","","- C13 H10 N2 O4 -","- C13 H10 N2 O4 -","- C52 H40 N8 O16 -","4","1","TK5203","Waris, Ghulam; Siddiqi, Humaira Masood; Flörke, Ulrich; Saeed, Shaukat; Butt, M. Saeed","<i>N</i>-(4-Hydroxyphenyl)-4-nitrobenzamide","Acta Crystallographica Section E","2013","69","4","o526","","10.1107/S1600536813006132","","","0.71073","MoKα","","0.0572","0.0479","","","0.1166","0.122","","","","","","1.123","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237719","7.0249","0.0004","10.7949","0.0007","10.8826","0.0007","91.783","0.003","97.562","0.002","108.512","0.002","773.42","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","TK5207","Bakthadoss, M.; Selvakumar, R.; Manikandan, N.; Murugavel, S.","(<i>Z</i>)-3-(3,4-Dimethoxybenzylidene)-2,3-dihydro-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2013","69","4","o562","o563","10.1107/S1600536813007423","","","0.71073","MoKα","","0.0495","0.0387","","","0.1118","0.1212","","","","","","1.057","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237720","7.879","0.005","9.667","0.005","9.979","0.005","89.052","0.005","78.161","0.004","83.647","0.005","739.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(<i>Z</i>)-3-(2,4-Dichlorobenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C16 H11 Cl2 N O S -","- C16 H11 Cl2 N O S -","- C32 H22 Cl4 N2 O2 S2 -","2","1","TK5208","Murugavel, S.; Manikandan, N.; Selvakumar, R.; Bakthadoss, M.","(<i>Z</i>)-3-(2,4-Dichlorobenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2013","69","4","o564","","10.1107/S1600536813007435","","","0.71073","MoKα","","0.0571","0.042","","","0.1124","0.1231","","","","","","1.035","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237721","8.607","0.003","13.222","0.004","13.973","0.004","90","","90","","90","","1590.2","0.9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2-Dichloro-3,7,7,11-tetramethyl-10-azatetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","","- C16 H25 Cl2 N -","- C16 H25 Cl2 N -","- C64 H100 Cl8 N4 -","4","1","TK5210","Oukhrib, Abdelouahd; Benharref, Ahmed; Saadi, Mohamed; Berraho, Moha; El Ammari, Lahcen","2,2-Dichloro-3,7,7,11-tetramethyl-10-azatetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","Acta Crystallographica Section E","2013","69","4","o589","o590","10.1107/S1600536813007642","","","0.71073","MoKα","","0.0536","0.0485","","","0.1384","0.1437","","","","","","1.064","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237722","12.525","0.003","13.95","0.003","14.626","0.003","90","","97.72","0.03","90","","2532.3","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[copper(I)-μ-2,6-bis[4-(pyridin-2-yl)thiazol-2-yl]pyridine] hexafluoridophosphate acetonitrile monosolvate]","","- C23 H16 Cu F6 N6 P S2 -","- C23 H16 Cu F6 N6 P S2 -","- C92 H64 Cu4 F24 N24 P4 S8 -","4","1","VM2190","Xiao, Linda; Bhadbhade, Mohan; Baker, Anthony T.","<i>catena</i>-Poly[[copper(I)-μ-2,6-bis[4-(pyridin-2-yl)thiazol-2-yl]pyridine] hexafluoridophosphate acetonitrile monosolvate] from single-crystal synchrotron data","Acta Crystallographica Section E","2013","69","4","m231","","10.1107/S1600536813006831","","","0.71073","Synchrotron","","0.0327","0.0305","","","0.0768","0.0781","","","","","","1.081","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237723","7.203","0.0002","8.3341","0.0003","19.5436","0.0006","90","","90","","90","","1173.21","0.06","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-Methoxyanilinium trichloridostannate(II)","","- C7 H10 Cl3 N O Sn -","- C7 H10 Cl3 N O Sn -","- C28 H40 Cl12 N4 O4 Sn4 -","4","1","VN2066","Karoui, Sahel; Kamoun, Slaheddine; Michaud, François","2-Methoxyanilinium trichloridostannate(II)","Acta Crystallographica Section E","2013","69","4","m187","m188","10.1107/S1600536813005096","","","0.71073","MoKα","","0.0287","0.0262","","","0.0636","0.0643","","","","","","1.143","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237724","7.8537","0.0016","12.875","0.003","15.252","0.003","90","","100.92","0.03","90","","1514.3","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(2<i>R</i>,3<i>S</i>)-Butane-1,2,3,4-tetraol-κ^3^<i>O</i>^1^,<i>O</i>^2^,<i>O</i>^3^](ethanol-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')samarium(III)","","- C6 H16 N3 O14 Sm -","- C6 H16 N3 O14 Sm -","- C24 H64 N12 O56 Sm4 -","4","1","WM2711","Xue, Jun-Hui; Hua, Xiao-Hui; Yang, Li-Min; Xu, Yi-Zhuang; Wu, Jin-Guang","[(2<i>R</i>,3<i>S</i>)-Butane-1,2,3,4-tetraol-κ^3^<i>O</i>^1^,<i>O</i>^2^,<i>O</i>^3^](ethanol-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')samarium(III)","Acta Crystallographica Section E","2013","69","4","m182","m183","10.1107/S1600536813003255","","","0.71073","MoKα","","0.0313","0.0294","","","0.0563","0.0571","","","","","","1.22","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237725","7.6747","0.0001","13.0025","0.0002","5.464","0.0001","90","","90","","98.5165","0.0005","539.242","0.015","293","","293","","","","","","","","","3","P 1 1 21","P 2c","4","","Dineodymium(III) dititanium(IV) heptaoxide","","- Nd2 O7 Ti2 -","- Nd2 O7 Ti2 -","- Nd8 O28 Ti8 -","4","2","WM2720","Ishizawa, Nobuo; Ninomiya, Keisuke; Sakakura, Terutoshi; Wang, Jun","Redetermination of Nd~2~Ti~2~O~7~: a non-centrosymmetric structure with perovskite-type slabs","Acta Crystallographica Section E","2013","69","4","i19","","10.1107/S1600536813005497","","","0.71069","MoKα","","0.0268","0.0244","","","0.0268","0.0272","","","","","","1.37","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237726","21.108","0.004","9.9335","0.0019","6.3879","0.0013","90","","90","","90","","1339.4","0.5","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>catena</i>-Poly[[[diaqua(tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","","- C6 H22 N2 Ni O7 S -","- C6 H22 N2 Ni O7 S -","- C24 H88 N8 Ni4 O28 S4 -","4","1","WM2722","Schmidt, Guntram; Merzweiler, Kurt","<i>catena</i>-Poly[[[diaqua(tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ-sulfato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]","Acta Crystallographica Section E","2013","69","4","m197","","10.1107/S1600536813006557","","","0.71073","MoKα","","0.0304","0.0233","","","0.0468","0.0518","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237727","13.139","0.003","9.6674","0.0018","15.393","0.003","90","","90","","90","","1955.2","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Bromido(1,4,7,10,13-pentaazacyclohexadecane)cobalt(III) dibromide dihydrate","","- C11 H31 Br3 Co N5 O2 -","- C11 H31 Br3 Co N5 O2 -","- C44 H124 Br12 Co4 N20 O8 -","4","0.5","WM2723","Kurisaki, Tsutomu; Hamano, Makoto; Wakita, Hisanobu","Bromido(1,4,7,10,13-pentaazacyclohexadecane)cobalt(III) dibromide dihydrate","Acta Crystallographica Section E","2013","69","4","m179","m180","10.1107/S1600536813004947","","","0.71073","MoKα","","0.0431","0.0309","","","0.0708","0.076","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237728","23.4532","0.0005","10.4466","0.0002","18.3113","0.0003","90","","90.6186","0.0007","90","","4486.12","0.15","296.1","","296","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[1,2-bis(ethoxycarbonyl)ethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>']bis(η^5^-pentamethylcyclopentadienyl)tetra-μ~3~-sulfido-diiron(IV)diiron(III)(3 <i>Fe</i>—<i>Fe</i>)","","- C36 H50 Fe4 O8 S8 -","- C36 H50 Fe4 O8 S8 -","- C144 H200 Fe16 O32 S32 -","4","0.5","WM2725","Ito, Shohei; Hisamichi, Nozomu; Takase, Tsugiko; Inomata, Shinji","Bis[1,2-bis(ethoxycarbonyl)ethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>']bis(η^5^-pentamethylcyclopentadienyl)tetra-μ~3~-sulfido-diiron(IV)diiron(III)(3 <i>Fe</i>—<i>Fe</i>)","Acta Crystallographica Section E","2013","69","4","m181","","10.1107/S1600536813005564","","","0.71075","MoKα","","","0.03","","","","0.0803","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237729","8.0491","0.001","8.0491","0.001","8.8953","0.0018","90","","90","","120","","499.1","0.13","153","2","153","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","Poly[[(μ~4~-1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol)sodium] bromide]","","- C6 H15 Br N3 Na O3 -","- C6 H15 Br N3 Na O3 -","- C12 H30 Br2 N6 Na2 O6 -","2","0.333333","WM2727","Reiss, Guido J.; Hegetschweiler, Kaspar","Poly[[(μ~4~-1,3,5-triamino-1,3,5-trideoxy-<i>cis</i>-inositol)sodium] bromide]","Acta Crystallographica Section E","2013","69","4","m185","m186","10.1107/S1600536813005618","","","0.71073","MoKα","","0.0361","0.0357","","","0.0778","0.0779","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237730","5.4228","0.0004","7.1572","0.0006","7.4539","0.0007","90","","105.121","0.009","90","","279.28","0.04","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Dipotassium hydrogen carbonate fluoride monohydrate","","- C H3 F K2 O4 -","- C H3 F K2 O4 -","- C2 H6 F2 K4 O8 -","2","0.5","WM2728","Kahlenberg, Volker; Schwaier, Timo","Dipotassium hydrogencarbonate fluoride monohydrate","Acta Crystallographica Section E","2013","69","4","i20","","10.1107/S1600536813006041","","","0.71073","MoKα","","0.034","0.0283","","","0.07","0.0748","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237731","9.036","0.0002","14.0492","0.0005","10.2077","0.0003","90","","98.7259","0.0009","90","","1280.85","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(Dimethylamino)pyridinium tetrachloridoferrate(III)","","- C7 H11 Cl4 Fe N2 -","- C7 H11 Cl4 Fe N2 -","- C28 H44 Cl16 Fe4 N8 -","4","1","WM2729","Khadri, Amina; Bouchene, Rafika; Bouacida, Sofiane; Merazig, Hocine; Roisnel, Thierry","4-(Dimethylamino)pyridinium tetrachloridoferrate(III)","Acta Crystallographica Section E","2013","69","4","m190","","10.1107/S160053681300603X","","","0.71073","MoKα","","0.0515","0.0335","","","0.0727","0.0811","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237732","15.546","0.009","23.767","0.013","24.872","0.014","90","","102.209","0.006","90","","8982","9","93","1","93","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[1,2-bis(methoxycarbonyl)ethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>']bis(η^5^-pentamethylcyclopentadienyl)tetra-μ~3~-sulfido-tetrairon(4 <i>Fe</i>‒<i>Fe</i>) hexafluoridophosphate","","- C32 H42 F6 Fe4 O8 P S8 -","- C32 H42 F6 Fe4 O8 P S8 -","- C256 H336 F48 Fe32 O64 P8 S64 -","8","2","WM2732","Inomata, Shinji; Ito, Shohei; Takase, Tsugiko","Bis[1,2-bis(methoxycarbonyl)ethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>']bis(η^5^-pentamethylcyclopentadienyl)tetra-μ~3~-sulfido-tetrairon(4 <i>Fe</i>‒<i>Fe</i>) hexafluoridophosphate","Acta Crystallographica Section E","2013","69","4","m227","m228","10.1107/S1600536813007514","","","0.71075","MoKα","","","0.0749","","","","0.1862","","","","","","1.142","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237733","11.042","0.005","14.552","0.006","11.524","0.005","90","","116.049","0.004","90","","1663.6","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Chlorido[1,1'-(5-methyl-1,3-phenylene)bis(3,5-dimethyl-1<i>H</i>-imidazol-2-ylidene)]platinum(II)","","- C17 H19 Cl N4 Pt -","- C17 H19 Cl N4 Pt -","- C68 H76 Cl4 N16 Pt4 -","4","1","XU5680","Peng, Kui-Juan; Wang, Zi-Xing; Wan, Wen","Chlorido[1,1'-(5-methyl-1,3-phenylene)bis(3,5-dimethyl-1<i>H</i>-imidazol-2-ylidene)]platinum(II)","Acta Crystallographica Section E","2013","69","4","m218","","10.1107/S1600536813006545","","","0.71073","MoKα","","0.0343","0.029","","","0.0775","0.0802","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237734","10.3446","0.0002","13.5779","0.0003","14.6586","0.0003","71.226","0.003","71.364","0.003","69.221","0.002","1772.85","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(2-hydroxybenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)cadmium‒diaquabis(2-hydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(nicotinamide-κ<i>N</i>)cadmium‒water (1/2/4)","","- C66 H74 Cd3 N8 O32 -","- C66 H74 Cd3 N8 O32 -","- C66 H74 Cd3 N8 O32 -","1","0.5","XU5682","Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(2-hydroxybenzoato-κ<i>O</i>^1^)bis(nicotinamide-κ<i>N</i>^1^)cadmium‒diaquabis(2-hydroxybenzoato-κ^2^<i>O</i>^1^,<i>O</i>^1'^)(nicotinamide-κ<i>N</i>)cadmium‒water (1/2/4)","Acta Crystallographica Section E","2013","69","4","m191","m192","10.1107/S1600536813006168","","","0.71073","MoKα","","0.0211","0.0194","","","0.0488","0.0503","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237735","6.7002","0.0002","17.0005","0.0004","13.6","0.0003","90","","99.993","0.003","90","","1525.63","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Tetraaquabis(isonicotinamide-κ<i>N</i>^1^)zinc bis(3-hydroxybenzoate) tetrahydrate","","- C26 H38 N4 O16 Zn -","- C26 H38 N4 O16 Zn -","- C52 H76 N8 O32 Zn2 -","2","0.5","XU5683","Zaman, Ibrahim Göker; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","<i>trans</i>-Tetraaquabis(isonicotinamide-κ<i>N</i>^1^)zinc bis(3-hydroxybenzoate) tetrahydrate","Acta Crystallographica Section E","2013","69","4","m198","m199","10.1107/S1600536813006466","","","0.71073","MoKα","","0.0514","0.0472","","","0.1106","0.1137","","","","","","1.268","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237736","5.292","0.001","20.203","0.001","23.863","0.001","87.853","0.01","86.457","0.01","85.26","0.01","2536.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-{[4-(4-{[(2-Oxidonaphthalen-1-yl)methylidene]azaniumyl}phenoxy)phenyl]iminiumylmethyl}naphthalen-2-olate","","- C34 H24 N2 O3 -","- C34 H24 N2 O3 -","- C136 H96 N8 O12 -","4","2","XU5684","Haffar, Djahida; Daoud, Djamel; Douadi, Tahar; Bouzidi, Leila; Chafaa, Salah","1-{[4-(4-{[(2-Oxidonaphthalen-1-yl)methylidene]azaniumyl}phenoxy)phenyl]iminiumylmethyl}naphthalen-2-olate","Acta Crystallographica Section E","2013","69","4","o581","o582","10.1107/S1600536813007307","","","0.71073","MoKα","","0.1474","0.0722","","","0.1732","0.2181","","","","","","1.015","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237737","8.286","0.007","9.041","0.008","10.629","0.009","69.905","0.007","69.096","0.007","79.082","0.008","696.5","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(2-Carboxyethyl)-3-(carboxylatomethyl)-2-ethylbenzimidazol-1-ium monohydrate","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C28 H36 N4 O10 -","2","1","XU5687","Yao, Hong; Xie, Yong-Qiang; Yao, Xiao-Qiang; Yang, Yun-Xia; Zhang, You-Ming","1-(2-Carboxyethyl)-3-(carboxylatomethyl)-2-ethylbenzimidazol-1-ium monohydrate","Acta Crystallographica Section E","2013","69","4","o546","","10.1107/S1600536813006855","","","0.71073","MoKα","","0.0608","0.0419","","","0.0956","0.1016","","","","","","1.065","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237738","16.8163","0.0003","9.8407","0.0002","17.2913","0.0004","90","","90","","90","","2861.44","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3,9-Dimethyl-2,3-dihydrospiro[carbazole-1,2'-[1,3]dithiolan]-4(9<i>H</i>)-one","","- C16 H17 N O S2 -","- C16 H17 N O S2 -","- C128 H136 N8 O8 S16 -","8","1","XU5690","Gülle, Sibel; Çaylak Delibaş, Nagihan; Ergün, Yavuz; Hökelek, Tuncer","3,9-Dimethyl-2,3-dihydrospiro[carbazole-1,2'-[1,3]dithiolan]-4(9<i>H</i>)-one","Acta Crystallographica Section E","2013","69","4","o598","o599","10.1107/S1600536813007873","","","0.71073","MoKα","","0.0894","0.0752","","","0.1849","0.1948","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237739","8.2521","0.0002","8.481","0.0002","9.6369","0.0002","87.117","0.005","89.527","0.005","70.962","0.004","636.73","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Piperazine-1,4-diium bis(2,4,5-tricarboxybenzoate) dihydrate","","- C24 H26 N2 O18 -","- C24 H26 N2 O18 -","- C24 H26 N2 O18 -","1","0.5","YK2086","Narayanam, Nagaraju; Gangu, Kranthi Kumar; Kurra, Balakrishna; Mukkamala, Saratchandra Babu","Piperazine-1,4-diium bis(2,4,5-tricarboxybenzoate) dihydrate","Acta Crystallographica Section E","2013","69","4","o574","o575","10.1107/S160053681300723X","","","0.71073","MoKα","","0.0328","0.0303","","","0.0831","0.0852","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237740","13.993","0.003","9.189","0.0018","28.778","0.006","90","","90","","90","","3700.3","1.3","90","0.2","90","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","3,4',5-Trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate","","- C14 H8 Cl6 O4 S -","- C14 H8 Cl6 O4 S -","- C112 H64 Cl48 O32 S8 -","8","2","YK2088","Lehmler, Hans-Joachim; He, Xianran; Duffel, Michael W.; Parkin, Sean","3,4',5-Trichlorobiphenyl-4-yl 2,2,2-trichloroethyl sulfate","Acta Crystallographica Section E","2013","69","4","o620","","10.1107/S1600536813007976","","","1.54178","CuKα","","0.068","0.0643","","","0.158","0.1605","","","","","","1.152","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237741","7.909","0.002","27.239","0.008","5.9652","0.0017","90","","90","","90","","1285.1","0.6","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","5-(3-Methoxyphenyl)-3-phenyl-1,2-oxazole","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","ZJ2101","Balakrishnan, B.; Praveen, C.; Seshadri, P. R.; Perumal, P. T.","5-(3-Methoxyphenyl)-3-phenyl-1,2-oxazole","Acta Crystallographica Section E","2013","69","4","o597","","10.1107/S160053681300740X","","","0.71073","MoKα","","0.053","0.0383","","","0.0933","0.1025","","","","","","1.028","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237742","38.312","0.003","6.7621","0.001","20.987","0.002","90","","113.41","0.005","90","","4989.5","1","90","0.5","90","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Benzotriazolium sulfate dihydrate","Bis(1,2,3-benzotriazolium) sulfate dihydrate","","- C12 H16 N6 O6 S -","- C12 H16 N6 O6 S -","- C144 H192 N72 O72 S12 -","12","1.5","ZL2540","Belter, Randolph K.; Fronczek, Frank R.","Bis(1,2,3-benzotriazolium) sulfate dihydrate","Acta Crystallographica Section E","2013","69","4","o606","o607","10.1107/S1600536813007472","","","0.71073","MoKα","","0.0402","0.0328","","","0.0922","0.098","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237743","11.5837","0.0006","4.4677","0.0003","15.5521","0.0008","90","","103.31","0.006","90","","783.24","0.08","300","2","300","2","","","","","","","","3","P 1 c 1","P -2yc","7","5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavone","5,7-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4<i>H</i>-chromen-4-one","","- C18 H16 O8 -","- C18 H16 O8 -","- C36 H32 O16 -","2","1","ZP2001","Adizov, Shahobiddin M.; Mukhamathanova, Rimma F.; Turgunov, Kambarali K.; Sham'yanov, Ildar D.; Tashkhodjaev, Bakhodir","5,7-Dihydroxy-2-(3-hydroxy-4,5-dimethoxyphenyl)-6-methoxy-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2013","69","4","o578","","10.1107/S1600536813007381","","","1.54184","CuKα","","0.0486","0.0421","","","0.1159","0.1259","","","","","","1.073","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237744","8.6978","0.0003","8.8318","0.0003","12.1517","0.0004","84.808","0.003","78.674","0.003","82.039","0.003","904.53","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","6-(3,5-Dimethoxybenzylamino)-9-(oxan-2-yl)-9<i>H</i>-purine","","- C19 H23 N5 O3 -","- C19 H23 N5 O3 -","- C38 H46 N10 O6 -","2","1","ZQ2196","Štarha, Pavel; Popa, Igor; Dvořák, Zdeněk; Trávníček, Zdeněk","6-(3,5-Dimethoxybenzylamino)-9-(oxan-2-yl)-9<i>H</i>-purine","Acta Crystallographica Section E","2013","69","4","o533","","10.1107/S1600536813006697","","","0.71073","MoKα","","0.0509","0.0442","","","0.1122","0.1161","","","","","","1.07","","","","has coordinates,has Fobs","201979","2020-10-21","18:00:00",""
"2237745","15.7463","0.0002","21.8914","0.0003","28.6122","0.0004","90","","90","","90","","9862.9","0.2","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","<i>cis</i>,<i>cis</i>,<i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')bis[1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) 0.75-trifluoromethanesulfonate 0.25-chloride","","- C219 H204 Cl F9 O17 P16 Ru4 S3 -","- C219 H204 Cl F9 O17 P16 Ru4 S3 -","- C438 H408 Cl2 F18 O34 P32 Ru8 S6 -","2","0.25","ZS2249","Figueira, João; Rodrigues, João; Valkonen, Arto","<i>cis</i>,<i>cis</i>,<i>cis</i>-(Acetato-κ^2^<i>O</i>,<i>O</i>')bis[1,2-bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']ruthenium(II) 0.75-trifluoromethanesulfonate 0.25-chloride","Acta Crystallographica Section E","2013","69","4","m226","","10.1107/S160053681300737X","","","0.71073","MoKα","","0.0774","0.0614","","","0.1406","0.1483","","","","","","1.125","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237746","4.7616","0.0004","17.7989","0.0015","14.2841","0.0012","90","","93.8021","0.001","90","","1207.93","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl (<i>E</i>)-2-cyano-3-(4-methylphenyl)acrylate","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","AA2081","Chen, Qi-Yu; Ke, Wen-Dong; Kong, Lin","Ethyl (<i>E</i>)-2-cyano-3-(4-methylphenyl)acrylate: a second monoclinic polymorph","Acta Crystallographica Section E","2013","69","5","o748","","10.1107/S1600536813009550","","","0.71073","MoKα","","0.0677","0.0546","","","0.1711","0.192","","","","","","1.109","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237747","21.268","0.002","6.7031","0.0009","22.303","0.002","90","","92.776","0.006","90","","3175.8","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4-Bis(furan-2-yl)-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-one","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C144 H168 N8 O24 -","8","1","AA2083","Venkateswaramoorthi, R.; Rizwana Begum, S.; Hema, R.; Krishnasamy, K.; Anitha, A.G.","2,4-Bis(furan-2-yl)-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2013","69","5","o768","","10.1107/S1600536813010180","","","0.71073","MoKα","","0.0598","0.0441","","","0.1167","0.1302","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237748","6.1039","0.0003","15.3928","0.0007","15.9601","0.0008","90","","95.462","0.002","90","","1492.74","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Diacetatodi-<i>tert</i>-butyltin(IV)","","- C12 H24 O4 Sn -","- C12 H24 O4 Sn -","- C48 H96 O16 Sn4 -","4","1","AA2086","Reichelt, Martin; Reuter, Hans","Diacetatodi-<i>tert</i>-butyltin(IV)","Acta Crystallographica Section E","2013","69","5","m254","","10.1107/S1600536813009185","","","0.71073","MoKα","","0.0333","0.0226","","","0.0426","0.0455","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237749","10.125","0.003","11.949","0.004","34.653","0.006","90","","90.2","0.02","90","","4192","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[Zn~3~(Et)~2~(MalO)~4~]^.^2(C~7~H~8~)","Diethyl(μ~3~-2-methyl-4-oxo-4<i>H</i>-pyran-3-olato-κ^4^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^:<i>O</i>^3^)tris(μ~2~-2-methyl-4-oxo-4<i>H</i>-pyran-3-olato-κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^)trizinc toluene disolvate","","- C42 H46 O12 Zn3 -","- C42 H46 O12 Zn3 -","- C168 H184 O48 Zn12 -","4","1","AA2088","Petrus, Rafał; Petrus, Joanna; Paszek, Karolina; Sobota, Piotr","Diethyl(μ~3~-2-methyl-4-oxo-4<i>H</i>-pyran-3-olato-κ^4^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^:<i>O</i>^3^)tris(μ~2~-2-methyl-4-oxo-4<i>H</i>-pyran-3-olato-κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^)trizinc toluene disolvate","Acta Crystallographica Section E","2013","69","5","m281","m282","10.1107/S1600536813010064","","","0.71073","MoKα","","0.0399","0.0286","","","0.0633","0.0655","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237750","6.1266","0.0003","10.0247","0.0005","12.663","0.0007","84.749","0.003","79.235","0.002","86.443","0.003","760.03","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","3-(4-Bromophenylsulfinyl)-5-chloro-2,7-dimethyl-1-benzofuran","","- C16 H12 Br Cl O2 S -","- C16 H12 Br Cl O2 S -","- C32 H24 Br2 Cl2 O4 S2 -","2","1","AA2089","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-5-chloro-2,7-dimethyl-1-benzofuran","Acta Crystallographica Section E","2013","69","5","o745","","10.1107/S160053681300994X","","","0.71073","MoKα","","0.0394","0.0305","","","0.0776","0.0818","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237751","13.4019","0.0012","14.2255","0.0012","21.022","0.002","85.9","0.02","84.61","0.02","65.75","0.02","3635.6","0.8","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","[5,11,17,23-Tetra-<i>tert</i>-butyl-25,27-(3,6-dioxaoctan-1,8-dioxy)-26,28-bis(pyridin-2-ylmethoxy)calix[4]arene]sodium iodide‒1,2,4,5-tetrafluoro-3,6-diiodobenzene‒methanol (2/3/4)","","- C146 H168 F12 I8 N4 Na2 O16 -","- C146 H168 F12 I8 N4 Na2 O16 -","- C146 H168 F12 I8 N4 Na2 O16 -","1","0.5","BG2501","Cavallo, Gabriella; Metrangolo, Pierangelo; Parisi, Melchiorre F.; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","[5,11,17,23-Tetra-<i>tert</i>-butyl-25,27-(3,6-dioxaoctan-1,8-dioxy)-26,28-bis(pyridin-2-ylmethoxy)calix[4]arene]sodium iodide‒1,2,4,5-tetrafluoro-3,6-diiodobenzene‒methanol (2/3/4)","Acta Crystallographica Section E","2013","69","5","m236","m237","10.1107/S1600536813007757","","","0.71073","MoKα","","0.052","0.0446","","","0.0917","0.095","","","","","","1.126","","","","has coordinates,has Fobs","223448","2020-10-21","18:00:00",""
"2237752","7.5943","0.0003","7.9123","0.0003","10.7673","0.0004","88.769","0.001","81.681","0.001","83.92","0.001","636.57","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[[diaquacobalt(II)]-bis{μ-2-[3-(4-carboxylatophenyl)pyridin-1-ium-1-yl]acetato}] dihydrate]","","- C28 H28 Co N2 O12 -","- C28 H28 Co N2 O12 -","- C28 H28 Co N2 O12 -","1","0.5","BG2502","Gao, Wei; Zhang, Xiu-Mei","<i>catena</i>-Poly[[[diaquacobalt(II)]-bis{μ-2-[3-(4-carboxylatophenyl)pyridin-1-ium-1-yl]acetato}] dihydrate]","Acta Crystallographica Section E","2013","69","5","m252","","10.1107/S1600536813008933","","","0.71073","MoKα","","0.0303","0.0301","","","0.0908","0.0911","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237753","11.1927","0.0002","11.4535","0.0003","12.1206","0.0003","87.637","0.002","86.048","0.001","70.564","0.002","1461.5","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 1''-benzyl-1'-methyl-2''-oxodispiro[indeno[1,2-<i>b</i>]quinoxaline-11,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","","- C36 H30 N4 O3 -","- C36 H30 N4 O3 -","- C72 H60 N8 O6 -","2","1","BG2503","Kannan, Piskala Subburaman; Lanka, Srinu; Thennarasu, Sathiah; Govindan, Elumalai; SubbiahPandi, Arunachalathevar","Ethyl 1''-benzyl-1'-methyl-2''-oxodispiro[indeno[1,2-<i>b</i>]quinoxaline-11,3'-pyrrolidine-2',3''-indoline]-4'-carboxylate","Acta Crystallographica Section E","2013","69","6","o822","","10.1107/S1600536813011525","","","0.71073","MoKα","","0.0569","0.0473","","","0.1243","0.1337","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237754","15.235","0.003","13.959","0.003","5.9153","0.0011","90","","93.259","0.003","90","","1255.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one","","- C13 H8 Br Cl O S -","- C13 H8 Br Cl O S -","- C52 H32 Br4 Cl4 O4 S4 -","4","1","BG2505","Kavitha, H. D.; Roopashree, K. R.; Vepuri, Suresh B.; Devarajegowda, H. C.; Devaru, Venkatesh B.","(2<i>E</i>)-1-(5-Bromothiophen-2-yl)-3-(4-chlorophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","6","o859","","10.1107/S1600536813012063","","","0.71073","MoKα","","0.0385","0.0298","","","0.0768","0.0805","","","","","","1.051","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237755","8.6707","0.0008","5.2628","0.0004","20.6693","0.0015","90","","93.014","0.007","90","","941.88","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-Hydroxypyridine-2-carboximidamide‒succinic acid (2/1)","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C32 H40 N12 O12 -","2","0.5","BG2507","Liu, Jiyong","<i>N</i>'-Hydroxypyridine-2-carboximidamide‒succinic acid (2/1)","Acta Crystallographica Section E","2013","69","6","o992","","10.1107/S1600536813014359","","","0.71073","MoKα","","0.0607","0.0391","","","0.0929","0.1057","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237756","10.896","0.001","17.2838","0.0016","11.8888","0.001","90","","92.752","0.004","90","","2236.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium naphthalene-2-sulfonate","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C104 H100 N4 O16 S4 -","4","1","BH2474","Balachandar, R. K.; Kalainathan, S.; Aravindan, P. G.; Eappen, Shibu M.; Podder, Jiban","(<i>E</i>)-4-[2-(4-Ethoxyphenyl)ethenyl]-1-methylpyridinium naphthalene-2-sulfonate","Acta Crystallographica Section E","2013","69","5","o722","","10.1107/S1600536813009240","","","0.71073","MoKα","","0.081","0.0516","","","0.1411","0.1588","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237757","9.3898","0.0003","9.9752","0.0003","11.1324","0.0003","98.765","0.001","113.991","0.001","109.52","0.001","846.09","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4<i>H</i>-pyran-3-carbonitrile","","- C19 H14 F N3 O3 -","- C19 H14 F N3 O3 -","- C38 H28 F2 N6 O6 -","2","1","BH2475","Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","4-(4-Fluorophenyl)-6-methylamino-5-nitro-2-phenyl-4<i>H</i>-pyran-3-carbonitrile","Acta Crystallographica Section E","2013","69","5","o687","o688","10.1107/S1600536813009008","","","0.71073","MoKα","","0.0505","0.0404","","","0.1102","0.1179","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237758","15.515","0.0006","12.9137","0.0006","17.8323","0.0006","90","","90","","90","","3572.8","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-Nitrophenol‒1,3,5-triazine-2,4,6-triamine (2/1)","","- C15 H16 N8 O6 -","- C15 H16 N8 O6 -","- C120 H128 N64 O48 -","8","1","BH2476","Sangeetha, V.; Kanagathara, N.; Chakkaravarthi, G.; Marchewka, M.K.; Anbalagan, G.","3-Nitrophenol‒1,3,5-triazine-2,4,6-triamine (2/1)","Acta Crystallographica Section E","2013","69","6","o827","","10.1107/S1600536813011148","","","0.71073","MoKα","","0.0582","0.0417","","","0.1074","0.1189","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237759","17.563","0.0005","6.25208","0.00019","13.7963","0.0004","90","","93.209","0.003","90","","1512.53","0.08","143","0.1","143","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-Amino-2-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline-5,7-dicarbonitrile","","- C18 H16 N4 -","- C18 H16 N4 -","- C72 H64 N16 -","4","1","BH2477","Wang, Dao-Cai; Song, Hang; Yao, Shun","6-Amino-2-methyl-8-phenyl-1,2,3,4-tetrahydroisoquinoline-5,7-dicarbonitrile","Acta Crystallographica Section E","2013","69","6","o929","","10.1107/S1600536813013342","","","0.7107","MoKα","","0.0612","0.0449","","","0.1002","0.1115","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237760","8.233","0.0016","12.534","0.003","12.192","0.002","90","","97.96","0.03","90","","1246","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methyl-2-phenyl-1-(pyrrolidin-1-yl)propan-1-one","","- C14 H19 N O -","- C14 H19 N O -","- C56 H76 N4 O4 -","4","1","BQ2384","Ren, Dong-mei","2-Methyl-2-phenyl-1-(pyrrolidin-1-yl)propan-1-one","Acta Crystallographica Section E","2013","69","5","o773","","10.1107/S1600536813009975","","","0.71073","MoKα","","0.1159","0.0625","","","0.1325","0.1521","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237761","6.0588","0.0002","14.3762","0.0006","15.1617","0.0006","65.323","0.003","89.759","0.002","80.259","0.002","1179.46","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","1,3,5-Tris(4-bromophenyl)-1,3,5-triazinane dichloromethane monosolvate","","- C22 H20 Br3 Cl2 N3 -","- C22 H20 Br3 Cl2 N3 -","- C44 H40 Br6 Cl4 N6 -","2","1","BQ2386","Chebbah, Mahmoud; Bouchemma, Ahcene; Bouacida, Sofiane; Lefrada, Leila; Bouhenguel, Mustapha","1,3,5-Tris(4-bromophenyl)-1,3,5-triazinane dichloromethane monosolvate","Acta Crystallographica Section E","2013","69","6","o976","","10.1107/S1600536813013743","","","0.71073","MoKα","","0.114","0.0604","","","0.1227","0.145","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237762","8.3551","0.0004","9.7067","0.0005","23.8555","0.0011","90","","90","","90","","1934.69","0.16","293","2","293","2","101.3","","","","","","","4","C 2 2 21","C 2c 2","20","","Pentacobalt(II) divanadium(III) tetrakis(diphosphate)","","- Co5 O28 P8 V2 -","- Co4.9984 O28 P8 V2.0016 -","- Co19.9936 O112 P32 V8.0064 -","4","0.5","BR2223","Bronova, Anna; Glaum, Robert; Litterscheid, Christian","Pentacobalt(II) divanadium(III) tetrakis(diphosphate), Co~5~V~2~(P~2~O~7~)~4~","Acta Crystallographica Section E","2013","69","5","i26","","10.1107/S1600536813008507","","","0.71073","MoKα","","0.0701","0.0462","","","","0.1099","","","","","","0.92","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237763","4.83","0.002","8.721","0.002","9.3269","0.0009","90","","98.08","0.03","90","","388.97","0.19","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Lithium dicobalt(II) triarsenate","","- As3 Co2 Li O10 -","- As3 Co2 Li O10 -","- As6 Co4 Li2 O20 -","2","0.5","BR2224","Ben Smida, Youssef; Guesmi, Abderrahmen; Driss, Ahmed","LiCo~2~As~3~O~10~: une nouvelle structure à tunnels interconnectés","Acta Crystallographica Section E","2013","69","6","i39","","10.1107/S1600536813013548","","","0.71073","MoKα","","0.0271","0.0229","","","0.0609","0.0633","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237764","31.7536","0.0006","9.8492","0.0002","14.4865","0.0003","90","","113.222","0.001","90","","4163.57","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-2,2'-iminodibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","","- C26 H17 Cu N3 O4 -","- C26 H17 Cu N3 O4 -","- C208 H136 Cu8 N24 O32 -","8","1","BT6890","Yuste-Vivas, Consuelo; Coutinho, Joana T.; Pereira, Laura C. J.; Silva, Manuela Ramos","<i>catena</i>-Poly[[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-2,2'-iminodibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']","Acta Crystallographica Section E","2013","69","5","m255","m256","10.1107/S1600536813009203","","","0.71073","MoKα","","0.0616","0.0353","","","0.0786","0.089","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237765","5.6355","0.0004","8.1597","0.0005","36.794","0.002","90","","90","","90","","1691.93","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(<i>E</i>)-Anthracen-9-ylmethylidene]-2-(2,4-dinitrophenyl)hydrazine","","- C21 H14 N4 O4 -","- C21 H14 N4 O4 -","- C84 H56 N16 O16 -","4","1","BT6891","A. e Silva, Joana de; Yuste-Vivas, Consuelo; Sobral, Abilio J. F. N.; Silva, Manuela Ramos","1-[(<i>E</i>)-Anthracen-9-ylmethylidene]-2-(2,4-dinitrophenyl)hydrazine","Acta Crystallographica Section E","2013","69","5","o705","","10.1107/S1600536813009197","","","0.71073","MoKα","","0.2255","0.0738","","","0.1633","0.2422","","","","","","0.879","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237766","5.773","0.002","11.168","0.005","15.991","0.007","96.092","0.016","100.316","0.014","91.333","0.014","1007.6","0.7","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","<i>tert</i>-Butyl 4-{5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl}piperazine-1-carboxylate","","- C18 H21 F3 N4 O4 -","- C18 H21 F3 N4 O4 -","- C36 H42 F6 N8 O8 -","2","1","BT6899","Sreenivasa, Swamy; ManojKumar, Karikere Ekanna; Kempaiah, Arakyathanahalli; Suchetan, Parameshwar Adimoole; Palakshamurthy, Bandrehalli Siddagangaiah","<i>tert</i>-Butyl 4-{5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl}piperazine-1-carboxylate","Acta Crystallographica Section E","2013","69","5","o761","","10.1107/S1600536813010131","","","0.71073","MoKα","","0.0944","0.0623","","","0.1887","0.2066","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237767","9.0502","0.0002","6.4201","0.0001","33.928","0.0007","90","","94.469","0.001","90","","1965.33","0.07","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-(4-Bromostyryl)-1-methylpyridinium tosylate","4-[2-(4-Bromophenyl)ethenyl]-1-methylpyridin-1-ium 4-methylbenzene-1-sulfonate","","- C21 H20 Br N O3 S -","- C21 H20 Br N O3 S -","- C84 H80 Br4 N4 O12 S4 -","4","1","BT6900","Kumar, M. Krishna; Sudhahar, S.; Sornamurthy, B. M.; Chakkaravarthi, G.; Kumar, R. Mohan","4-(4-Bromostyryl)-1-methylpyridinium tosylate","Acta Crystallographica Section E","2013","69","5","o694","","10.1107/S1600536813009227","","","0.71073","MoKα","","0.1165","0.049","","","0.1074","0.1301","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237768","10.3971","0.0003","12.2589","0.0003","11.0994","0.0003","90","","93.953","0.001","90","","1411.33","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Chloro-1-(2,4,4-trimethyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-1-yl)ethanone","","- C14 H19 Cl N2 O -","- C14 H19 Cl N2 O -","- C56 H76 Cl4 N8 O4 -","4","1","BT6901","Thiruselvam, V.; Rajakumari, D. Deepa; Akila, A.; Ponnuswamy, S.; Ponnuswamy, M. N.","2-Chloro-1-(2,4,4-trimethyl-2,3,4,5-tetrahydro-1<i>H</i>-1,5-benzodiazepin-1-yl)ethanone","Acta Crystallographica Section E","2013","69","6","o874","","10.1107/S1600536813012324","","","0.71073","MoKα","","0.0528","0.0395","","","0.1108","0.1197","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237769","10.725","0.005","10.405","0.005","14.93","0.005","90","","100.262","0.005","90","","1639.4","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8,11,24-Trioxa-21-thia-19-azapentacyclo[16.6.0.0^2,7^.0^12,17^.0^19,23^]tetracosa-2(7),3,5,12,14,16-hexaene","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C76 H76 N4 O12 S4 -","4","1","BT6902","Devi, Seenivasan Karthiga; Srinivasan, Thothadri; Purushothaman, Santhanagopalan; Raghunathan, Raghavachary; Velmurugan, Devadasan","8,11,24-Trioxa-21-thia-19-azapentacyclo[16.6.0.0^2,7^.0^12,17^.0^19,23^]tetracosa-2(7),3,5,12,14,16-hexaene","Acta Crystallographica Section E","2013","69","6","o898","","10.1107/S1600536813012798","","","0.71073","MoKα","","0.0812","0.0483","","","0.1302","0.1487","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237770","6.008","0.0012","6.3519","0.0013","7.4834","0.0015","90","","112.2","0.03","90","","264.41","0.11","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Pyrimidine-4-carboxylic acid","","- C5 H4 N2 O2 -","- C5 H4 N2 O2 -","- C10 H8 N4 O4 -","2","0.5","BT6903","Kiegiel, Katarzyna; Starosta, Wojciech; Leciejewicz, Janusz","Pyrimidine-4-carboxylic acid","Acta Crystallographica Section E","2013","69","6","o885","","10.1107/S1600536813012610","","","0.71073","MoKα","","0.0831","0.0476","","","0.107","0.1244","","","","","","0.995","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237771","10.4814","0.001","8.0528","0.0008","32.571","0.003","90","","90","","90","","2749.1","0.5","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","<i>N</i>-[4-(Dimethylamino)benzylidene]-4-methylaniline","","- C16 H18 N2 -","- C16 H18 N2 -","- C128 H144 N16 -","8","1","BT6904","Balachandar, R. K.; Kalainathan, S.; Eappen, Shibu M.; Podder, Jiban","<i>N</i>-[4-(Dimethylamino)benzylidene]-4-methylaniline","Acta Crystallographica Section E","2013","69","6","o905","","10.1107/S160053681301249X","","","0.71073","MoKα","","0.0981","0.061","","","0.1578","0.1865","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237772","10.6804","0.0004","7.5196","0.0003","29.1355","0.001","90","","90","","90","","2339.94","0.15","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-(4-Bromophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide","","- C12 H10 Br N3 O -","- C12 H10 Br N3 O -","- C96 H80 Br8 N24 O8 -","8","1","BT6905","Nayak, Prakash S.; Narayana, B.; Jasinski, Jerry P.; Yathirajan, H. S.; Sarojini, B. K.","2-(4-Bromophenyl)-<i>N</i>-(pyrazin-2-yl)acetamide","Acta Crystallographica Section E","2013","69","6","o891","","10.1107/S1600536813012531","","","1.54184","CuKα","","0.0397","0.0347","","","0.0905","0.0946","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237773","7.2465","0.0001","7.6533","0.0001","12.0141","0.0002","101.094","0.002","99.129","0.001","102.39","0.002","624.568","0.018","293","2","293","2","","","","","","","","4","P -1","-P 1","2","({[(Carboxymethyl)sulfanyl](2-hydroxyphenyl)methyl}sulfanyl)acetic acid","4-(2-Hydroxyphenyl)-3,5-dithiaheptanedioic acid","","- C11 H12 O5 S2 -","- C11 H12 O5 S2 -","- C22 H24 O10 S4 -","2","1","BT6906","Ravichandran, K.; Manikannan, R.; Muthusubramanian, S.; Ramesh, P.; Ponnuswamy, M. N.","4-(2-Hydroxyphenyl)-3,5-dithiaheptanedioic acid","Acta Crystallographica Section E","2013","69","6","o893","","10.1107/S1600536813012737","","","0.71073","MoKα","","0.0323","0.0259","","","0.0685","0.0731","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237774","10.3312","0.001","7.1692","0.0008","10.8502","0.0006","90","","115.958","0.005","90","","722.56","0.12","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","(1<i>R</i>,2<i>S</i>,4<i>S</i>,4a<i>S</i>,8<i>S</i>,8a<i>S</i>)-4-Hydroxy-8,8a-dimethyl-10-oxo-2,3,4,7,8,8a-hexahydro-1<i>H</i>- 4a,1-(epoxymethano)naphthalen-2-yl acetate","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","1","BT6907","Selaïmia-Ferdjani, Ouassila; Bidjou-Haiour, Chahra; Planchat, Aurelien; Pipelier, Muriel","(1<i>R</i>,2<i>S</i>,4<i>S</i>,4a<i>S</i>,8<i>S</i>,8a<i>S</i>)-4-Hydroxy-8,8a-dimethyl-10-oxo-2,3,4,7,8,8a-hexahydro-1<i>H</i>-4a,1-(epoxymethano)naphthalen-2-yl acetate","Acta Crystallographica Section E","2013","69","6","o938","o939","10.1107/S1600536813013524","","","0.71069","MoKα","","0.0705","0.0502","","","0.1229","0.1383","","","","","","1.84","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237775","16.8124","0.0012","10.9545","0.0008","10.9331","0.0007","90","","90","","90","","2013.6","0.2","130","2","130","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","<i>N</i>,<i>N</i>'-Bis(4-hydroxyphenyl)pyridine-2,6-dicarboxamide dimethylformamide monosolvate","","- C22 H22 N4 O5 -","- C22 H22 N4 O5 -","- C88 H88 N16 O20 -","4","1","BT6908","Waris, Ghulam; Siddiqi, Humaira Masood; Flörke, Ulrich; Hussain, Rizwan; Butt, M. Saeed","<i>N</i>,<i>N</i>'-Bis(4-hydroxyphenyl)pyridine-2,6-dicarboxamide dimethylformamide monosolvate","Acta Crystallographica Section E","2013","69","6","o991","","10.1107/S1600536813013810","","","0.71073","MoKα","","0.0373","0.0361","","","0.0979","0.0994","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237776","14.6494","0.0002","20.0535","0.0003","8.7694","0.0001","90","","90","","90","","2576.2","0.06","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","{<i>N</i>,<i>N</i>-Bis[bis(2,2,2-trifluoroethoxy)phosphanyl]methylamine-κ^2^<i>P</i>,<i>P</i>'}bis(η^5^-cyclopentadienyl)titanium(II)","","- C19 H21 F12 N O4 P2 Ti -","- C19 H21 F12 N O4 P2 Ti -","- C76 H84 F48 N4 O16 P8 Ti4 -","4","0.5","BT6910","Haehnel, Martin; Hansen, Sven; Spannenberg, Anke; Beweries, Torsten","{<i>N</i>,<i>N</i>-Bis[bis(2,2,2-trifluoroethoxy)phosphanyl]methylamine-κ^2^<i>P</i>,<i>P</i>'}bis(η^5^-cyclopentadienyl)titanium(II)","Acta Crystallographica Section E","2013","69","6","m346","","10.1107/S1600536813014244","","","0.71073","MoKα","","0.0373","0.0306","","","0.0745","0.079","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237777","11.977","0.002","7.2497","0.0012","13.85","0.002","90","","94.244","0.003","90","","1199.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,3-Dicyanophenyl)pyridin-1-ium-4-olate monohydrate","","- C13 H9 N3 O2 -","- C13 H9 N3 O2 -","- C52 H36 N12 O8 -","4","1","BV2216","Han, Zhe; Zhu, Ying; Tian, Xuelei; Feng, Suping","1-(2,3-Dicyanophenyl)pyridin-1-ium-4-olate monohydrate","Acta Crystallographica Section E","2013","69","5","o767","","10.1107/S1600536813008891","","","0.71073","MoKα","","0.0761","0.0435","","","0.104","0.1238","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237778","8.6685","0.0004","10.1323","0.0005","16.722","0.0008","76.607","0.002","79.481","0.002","77.91","0.002","1383.15","0.12","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","Iodido{4-phenyl-1-[1-(1,3-thiazol-2-yl-κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N'</i>,<i>S</i>}{4-phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazide-κ<i>S</i>}cadmium(II)","","- C24 H23 Cd I N8 S4 -","- C24 H23 Cd I N8 S4 -","- C48 H46 Cd2 I2 N16 S8 -","2","1","BV2219","Venkatraman, Ramaiyer; Samuel, Dasary S.; Arslan, Zikri; Hossain, Md. Alamgir; Fronczek, Frank R.","Iodido{4-phenyl-1-[1-(1,3-thiazol-2-yl-κ<i>N</i>)ethylidene]thiosemicarbazidato-κ^2^<i>N</i>',<i>S</i>}{4-phenyl-1-[1-(1,3-thiazol-2-yl)ethylidene]thiosemicarbazide-κ<i>S</i>}cadmium(II)","Acta Crystallographica Section E","2013","69","5","m246","m247","10.1107/S160053681300915X","","","0.71073","MoKα","","0.0385","0.0269","","","0.0561","0.0597","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237779","6.4389","0.0008","8.4336","0.0011","15.4958","0.0012","89.312","0.002","87.395","0.003","81.224","0.002","830.75","0.16","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","2-Tosyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-benzo[<i>f</i>]isoindol-1-one","","- C19 H19 N O3 S -","- C19 H19 N O3 S -","- C38 H38 N2 O6 S2 -","2","1","BV2220","Wu, Min; Hu, Yi-Min","2-Tosyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-benzo[<i>f</i>]isoindol-1-one","Acta Crystallographica Section E","2013","69","6","o926","","10.1107/S1600536813011045","","","0.71073","MoKα","","0.1258","0.0554","","","0.1132","0.1397","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237780","11.0527","0.0003","11.5834","0.0003","12.2015","0.0003","97.37","0.001","92.037","0.001","96.81","0.001","1536.25","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 1''-benzyl-2''-oxo-2',3',5',6',7',7a'-hexahydro-1'<i>H</i>-dispiro[indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolizine-3',3''-indoline]-1'-carboxylate monohydrate","","- C38 H34 N4 O4 -","- C38 H34 N4 O4 -","- C76 H68 N8 O8 -","2","1","BX2437","Kannan, Piskala Subburaman; Lanka, Srinu; Thennarasu, Sathiah; Vimala, Gopal; SubbiahPandi, Arunachalathevar","Ethyl 1''-benzyl-2''-oxo-2',3',5',6',7',7a'-hexahydro-1'<i>H</i>-dispiro[indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolizine-3',3''-indoline]-1'-carboxylate monohydrate","Acta Crystallographica Section E","2013","69","6","o854","o855","10.1107/S1600536813011537","","","0.71073","MoKα","","0.0463","0.0404","","","0.1081","0.1143","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237781","8.4709","0.0007","17.1658","0.0013","7.9481","0.0006","90","","107.228","0.004","90","","1103.88","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(5-chloro-1-methyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)acetate","","- C12 H10 Cl N O3 -","- C12 H10 Cl N O3 -","- C48 H40 Cl4 N4 O12 -","4","1","BX2438","Kannan, Piskala Subburaman; Yuvaraj, PanneerSelvam; Manivannan, Karthikeyan; Reddy, Boreddy S. R.; SubbiahPandi, A.","Methyl 2-(5-chloro-1-methyl-2-oxo-2,3-dihydro-1<i>H</i>-indol-3-ylidene)acetate","Acta Crystallographica Section E","2013","69","6","o856","","10.1107/S1600536813011768","","","0.71073","MoKα","","0.0441","0.0376","","","0.1296","0.1384","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237782","6.895","0.005","10.443","0.003","13.373","0.003","105.4","0.02","103.96","0.04","104.84","0.04","846.5","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,3'-({4-[(4,5-Dicyano-1<i>H</i>-imidazol-2-yl)diazenyl]phenyl}imino)dipropionic acid","","- C17 H15 N7 O4 -","- C17 H15 N7 O4 -","- C34 H30 N14 O8 -","2","1","BX2439","Centore, Roberto; Piccialli, Vincenzo; Tuzi, Angela","3,3'-({4-[(4,5-Dicyano-1<i>H</i>-imidazol-2-yl)diazenyl]phenyl}imino)dipropionic acid","Acta Crystallographica Section E","2013","69","5","o802","o803","10.1107/S1600536813011185","","","0.71073","Mokα","","0.3262","0.0754","","","0.1475","0.2163","","","","","","0.905","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237783","9.172","0.003","12.224","0.004","15.563","0.005","86.933","0.006","86.99","0.007","70.382","0.006","1640.2","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","1-[4-(Dimethylamino)benzylidene]-4-<i>o</i>-tolylthiosemicarbazide","","- C17 H20 N4 S -","- C17 H20 N4 S -","- C68 H80 N16 S4 -","4","2","BX2440","Huang, Rui-Yun; Xu, Qin-Juan; Lin, Li-Rong","1-[4-(Dimethylamino)benzylidene]-4-<i>o</i>-tolylthiosemicarbazide","Acta Crystallographica Section E","2013","69","6","o906","o907","10.1107/S1600536813012890","","","0.71073","MoKα","","0.1027","0.0577","","","0.1366","0.1548","","","","","","0.952","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237784","13.485","0.0004","15.7677","0.0004","16.7252","0.0004","90","","90","","90","","3556.24","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)zinc]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","","- C19 H14 N2 O6 Zn -","- C19 H14 N2 O6 Zn -","- C152 H112 N16 O48 Zn8 -","8","1","CQ2004","Yotnoi, Bunlawee; Rujiwatra, Apinpus","<i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)zinc]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","Acta Crystallographica Section E","2013","69","6","m345","","10.1107/S1600536813014347","","","0.71073","MoKα","","0.0418","0.0283","","","0.0693","0.0747","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237785","7.281","0.001","17.467","0.002","9.131","0.0012","90","","106.447","0.007","90","","1113.7","0.3","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(<i>Z</i>)-3β-(2-Chloroanilino)-17(20)-pregnene","","- C27 H38 Cl N -","- C27 H38 Cl N -","- C54 H76 Cl2 N2 -","2","1","CV5384","Hu, Jun-yi; Wang, Jiang; Xu, Ying-qian; Gao, Yun; Xiao, Guo-yong","(<i>Z</i>)-3β-(2-Chloroanilino)-17(20)-pregnene","Acta Crystallographica Section E","2013","69","5","o635","","10.1107/S1600536813007290","","","0.71073","MoKα","","0.0375","0.0292","","","0.064","0.0657","","","","","","0.972","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237786","7.207","0.004","14.176","0.007","11.686","0.005","90","","101.87","0.007","90","","1168.4","1","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4-nitrophenyl) selenide","","- C12 H8 N2 O4 Se -","- C12 H8 N2 O4 Se -","- C48 H32 N8 O16 Se4 -","4","0.5","CV5389","Zuo, Zong-Le","Bis(4-nitrophenyl) selenide","Acta Crystallographica Section E","2013","69","5","o636","","10.1107/S1600536813007526","","","0.71073","MoKα","","0.038","0.0304","","","0.0719","0.0735","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237787","16.6359","0.0009","8.8629","0.0005","9.6221","0.0004","90","","102.775","0.002","90","","1383.59","0.12","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-Bis(2-methylprop-2-enoyl)-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","0.5","CV5390","Haridharan, N.; Ramkumar, V.","1,3-Bis(2-methylprop-2-enoyl)-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","6","o818","","10.1107/S1600536813011380","","","0.71073","MoKα","","0.0615","0.0566","","","0.1966","0.2084","","","","","","1.161","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237788","8.7761","0.0018","5.088","0.001","10.636","0.002","90","","101.381","0.004","90","","465.59","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","3,4-Diaminopyridinium hydrogen malonate","3,4-Diaminopyridinium 2-carboxyethanoate","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C16 H22 N6 O8 -","2","1","CV5392","Thapa, Surendra; Draguta, Sergiu; Sandhu, Bhupinder; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","3,4-Diaminopyridinium hydrogen malonate","Acta Crystallographica Section E","2013","69","5","o670","","10.1107/S1600536813008763","","","0.71073","MoKα","","0.0486","0.0395","","","0.0966","0.1022","","","","","","1.183","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237789","9.6996","0.0019","16.29","0.003","14.168","0.003","90","","98.71","0.03","90","","2212.8","0.8","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6-(4-Chlorophenyl)-4-[(2-cyano-3-phenylallyl)sulfanyl]-2,2-difluoro-3-phenyl-1,3,2-oxazaborinin-3-ium-2-uide","","- C25 H18 B Cl F2 N2 O S -","- C25 H18 B Cl F2 N2 O S -","- C100 H72 B4 Cl4 F8 N8 O4 S4 -","4","1","CV5394","Li, Ming; Wang, Shu-Wen; Wen, Li-Rong","(<i>E</i>)-6-(4-Chlorophenyl)-4-[(2-cyano-3-phenylallyl)sulfanyl]-2,2-difluoro-3-phenyl-1,3,2-oxazaborinin-3-ium-2-uide","Acta Crystallographica Section E","2013","69","5","o648","","10.1107/S1600536813007800","","","0.71073","MoKα","","0.0687","0.0582","","","0.1148","0.1202","","","","","","1.18","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237790","5.7161","0.0001","17.4091","0.0004","8.2505","0.0002","90","","103.513","0.001","90","","798.3","0.03","308","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-5-(1-Methylethyl)-2-sulfanylideneimidazolidin-4-one","","- C6 H10 N2 O S -","- C6 H10 N2 O S -","- C24 H40 N8 O4 S4 -","4","1","CV5395","de Castro, Rosane; Macedo, Jr, Fernando C.; Brito, Tiago O.; Fátima, Angelo de; Sabino, José R.","<i>rac</i>-5-(1-Methylethyl)-2-sulfanylideneimidazolidin-4-one","Acta Crystallographica Section E","2013","69","5","o643","","10.1107/S1600536813008337","","","0.71073","MoKα","","0.0446","0.0365","","","","0.1138","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237791","6.2726","0.0002","6.3462","0.0002","9.1745","0.0003","92.436","0.003","92.193","0.003","94.341","0.003","363.52","0.02","293","2","293","2","","","","","","","","5","P -1","-P 1","2","ethane-1,2 diammonium chloride thiocyanate","Ethylendiammonium chloride thiocyanate","","- C3 H10 Cl N3 S -","- C3 H10 Cl N3 S -","- C6 H20 Cl2 N6 S2 -","2","1","CV5396","Karoui, Sahel; Kamoun, Slaheddine; Michaud, François","Ethylenediammonium chloride thiocyanate","Acta Crystallographica Section E","2013","69","5","o669","","10.1107/S1600536813008830","","","0.7107","MoKα","","0.0276","0.0245","","","0.0706","0.072","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237792","9.0112","0.0006","11.6772","0.0008","9.0849","0.0006","90","","108.045","0.005","90","","908.94","0.11","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-2,2-Dibromo-10,10-dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","","- C17 H24 Br2 Cl2 -","- C17 H24 Br2 Cl2 -","- C34 H48 Br4 Cl4 -","2","1","CV5397","Ourhriss, Najia; Benharref, Ahmed; Saadi, Mohamed; Berraho, Moha; El Ammari, Lahcen","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-2,2-Dibromo-10,10-dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","Acta Crystallographica Section E","2013","69","5","o724","","10.1107/S1600536813009070","","","0.71073","MoKα","","0.0587","0.0382","","","0.084","0.0916","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237793","11.58","0.0011","13.695","0.0012","14.286","0.0013","118.401","0.002","90.977","0.001","108.404","0.001","1852.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","1,5-Bis[1-(4-bromophenyl)ethylidene]thiocarbonohydrazide","","- C17 H16 Br2 N4 S -","- C17 H16 Br2 N4 S -","- C68 H64 Br8 N16 S4 -","4","2","CV5398","Gao, Zhiqing","1,5-Bis[1-(4-bromophenyl)ethylidene]thiocarbonohydrazide","Acta Crystallographica Section E","2013","69","5","o723","","10.1107/S1600536813009720","","","0.71073","MoKα","","0.1723","0.0725","","","0.1666","0.2141","","","","","","0.955","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237794","14.174","0.003","5.9321","0.0012","18.796","0.004","90","","99.06","0.03","90","","1560.7","0.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(2-Cyanobenzyl)-4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridin-2-yl acetate","","- C17 H16 N2 O2 S -","- C17 H16 N2 O2 S -","- C68 H64 N8 O8 S4 -","4","1","CV5399","Xie, Xiao-Shuai; Mu, Shuai; Liu, Ying; Liu, Deng-Ke","5-(2-Cyanobenzyl)-4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridin-2-yl acetate","Acta Crystallographica Section E","2013","69","5","o713","","10.1107/S1600536813009513","","","1.54187","CuKα","","0.0388","0.0375","","","0.0972","0.0984","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237795","8.96","0.005","9.944","0.006","11.128","0.006","104.174","0.008","111.041","0.007","99.41","0.002","861.9","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","(3-Chlorophenyl)[(<i>E</i>)-2-(1,3-dithiolan-2-ylidene)hydrazinylidene]methyl 3-chlorobenzoate","","- C17 H12 Cl2 N2 O2 S2 -","- C17 H12 Cl2 N2 O2 S2 -","- C34 H24 Cl4 N4 O4 S4 -","2","1","CV5400","Yin, Ling","(3-Chlorophenyl)[(<i>E</i>)-2-(1,3-dithiolan-2-ylidene)hydrazinylidene]methyl 3-chlorobenzoate","Acta Crystallographica Section E","2013","69","5","o714","","10.1107/S1600536813009239","","","0.71073","MoKα","","0.0363","0.0302","","","0.0724","0.0735","","","","","","0.952","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237796","4.6408","0.0008","18.263","0.003","9.4482","0.0016","90","","94.294","0.003","90","","798.5","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","3-(4-Methoxyphenyl)-1,3-selenazolo[2,3-<i>b</i>][1,3]benzothiazol-4-ium hydrogen sulfate","","- C16 H13 N O5 S2 Se -","- C16 H13 N O5 S2 Se -","- C32 H26 N2 O10 S4 Se2 -","2","1","CV5401","Mammadova, Gunay Z.; Matsulevich, Zhanna V.; Borisova, Galina N.; Borisov, Alexander V.; Khrustalev, Victor N.","3-(4-Methoxyphenyl)-1,3-selenazolo[2,3-<i>b</i>][1,3]benzothiazol-4-ium hydrogen sulfate","Acta Crystallographica Section E","2013","69","5","o703","o704","10.1107/S1600536813009288","","","0.71073","MoKα","","0.0516","0.0395","","","0.0803","0.0845","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237797","5.3188","0.0004","11.1525","0.0014","12.0279","0.0008","90","","101.256","0.007","90","","699.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[[tetraaquacadmium]-μ-5,5'-(1,4-phenylene)di(tetrazol-2-ido)-κ^2^<i>N</i>^2^:<i>N</i>^2'^]","","- C8 H12 Cd N8 O4 -","- C8 H12 Cd N8 O4 -","- C16 H24 Cd2 N16 O8 -","2","0.5","CV5403","Dang, Qinqin; Caiyun, Han","<i>catena</i>-Poly[[tetraaquacadmium]-μ-5,5'-(1,4-phenylene)di(tetrazol-2-ido)-κ^2^<i>N</i>^2^:<i>N</i>^2'^]","Acta Crystallographica Section E","2013","69","5","m283","","10.1107/S1600536813010441","","","0.71073","MoKα","","0.0629","0.0399","","","0.0763","0.0846","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237798","10.7396","0.001","16.3471","0.0014","20.112","0.002","90","","105.485","0.004","90","","3402.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6'-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-7'-(1<i>H</i>-indol-3-ylcarbonyl)-2-oxo-1-(prop-2-en-1-yl)-5',6',7',7a'-tetrahydro-1'<i>H</i>-spiro[indoline-3,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole]-7'-carbonitrile","","- C41 H32 N6 O2 S -","- C41 H32 N6 O2 S -","- C164 H128 N24 O8 S4 -","4","1","CV5404","Kannan, Piskala Subburaman; Kathirvelan, Devaraj; Reddy, Boreddy Siva Rami; Govindan, Elumalai; SubbiahPandi, Arunachalathevar","6'-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-7'-(1<i>H</i>-indol-3-ylcarbonyl)-2-oxo-1-(prop-2-en-1-yl)-5',6',7',7a'-tetrahydro-1'<i>H</i>-spiro[indoline-3,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole]-7'-carbonitrile","Acta Crystallographica Section E","2013","69","6","o857","o858","10.1107/S1600536813011513","","","0.71073","MoKα","","0.1125","0.0488","","","0.1055","0.1463","","","","","","1.063","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237799","10.2657","0.0011","13.0675","0.0013","18.3415","0.0015","90","","90","","90","","2460.5","0.4","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","1,2-Bis{2-[(4-methoxybenzylidene)amino]phenyl}disulfane","","- C28 H24 N2 O2 S2 -","- C28 H24 N2 O2 S2 -","- C112 H96 N8 O8 S8 -","4","0.5","CV5405","Xin, Wei","1,2-Bis{2-[(4-methoxybenzylidene)amino]phenyl}disulfane","Acta Crystallographica Section E","2013","69","6","o896","","10.1107/S1600536813011598","","","0.71073","MoKα","","0.0842","0.0508","","","0.1206","0.1393","","","","","","0.953","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237800","5.4696","0.0004","13.7164","0.001","16.3117","0.0011","90","","90","","90","","1223.76","0.15","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-1,5-Diphenylpent-2-en-4-yn-1-one","","- C17 H12 O -","- C17 H12 O -","- C68 H48 O4 -","4","1","CV5408","Bunev, Alexander S.; Statsyuk, Vladimir E.; Utekhina, Nina V.; Khrustalev, Victor N.","(<i>E</i>)-1,5-Diphenylpent-2-en-4-yn-1-one","Acta Crystallographica Section E","2013","69","6","o911","","10.1107/S1600536813013044","","","0.71073","MoKα","","0.0731","0.0573","","","0.1015","0.1069","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237801","9.559","0.004","9.656","0.003","16.392","0.006","78.584","0.006","82.056","0.006","68.39","0.006","1375.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-anilino-2,6-bis(4-chlorophenyl)-1-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","","- C32 H28 Cl2 N2 O2 -","- C32 H28 Cl2 N2 O2 -","- C64 H56 Cl4 N4 O4 -","2","1","CV5409","Yu, Jianfeng; Tang, Shiming; Zeng, Jingbin; Yan, Zifeng","Ethyl 4-anilino-2,6-bis(4-chlorophenyl)-1-phenyl-1,2,5,6-tetrahydropyridine-3-carboxylate","Acta Crystallographica Section E","2013","69","6","o947","o948","10.1107/S1600536813013573","","","0.71073","MoKα","","0.1113","0.0703","","","0.2004","0.3104","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237802","5.86715","0.00015","12.728","0.0003","10.2756","0.0003","90","","106.02","0.003","90","","737.55","0.04","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Acetoxy-γ-valerolactone","2-Methyl-5-oxotetrahydrofuran-2-yl acetate","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","CV5410","Tristram, Cameron; Gainsford, Graeme J.; Hinkley, Simon","Acetoxy-γ-valerolactone","Acta Crystallographica Section E","2013","69","6","o952","","10.1107/S1600536813013561","","","1.54184","CuKα","","0.0346","0.0316","","","0.0809","0.0835","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237803","9.583","0.0002","10.9142","0.0002","16.8172","0.0003","79.21","0.002","84.542","0.003","74.193","0.002","1660.68","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Methylpyridin-2-yl)-4',4',6',6'-tetrakis(pyrrolidin-1-yl)-1<i>H</i>,2<i>H</i>-spiro[naphtho[1,2-<i>e</i>][1,3,2]oxazaphosphinine-3,2'-[1,3,5,2,4,6]triazatriphosphinine]","","- C33 H46 N9 O P3 -","- C33 H46 N9 O P3 -","- C66 H92 N18 O2 P6 -","2","1","CV5414","Işıklan, Muhammet; Sonkaya, Ömer; Hökelek, Tuncer","2-(4-Methylpyridin-2-yl)-4',4',6',6'-tetrakis(pyrrolidin-1-yl)-1<i>H</i>,2<i>H</i>-spiro[naphtho[1,2-<i>e</i>][1,3,2]oxazaphosphinine-3,2'-[1,3,5,2,4,6]triazatriphosphinine]","Acta Crystallographica Section E","2013","69","6","o994","o995","10.1107/S1600536813014220","","","0.71073","MoKα","","0.0505","0.0395","","","0.102","0.1088","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237804","15.6996","0.0017","8.8767","0.0009","29.591","0.003","90","","90","","90","","4123.8","0.7","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","1-[2-(Trityloxy)phenyl]ethanone","","- C27 H22 O2 -","- C27 H22 O2 -","- C216 H176 O16 -","8","1","DS2228","Zhao, Pengying","1-[2-(Trityloxy)phenyl]ethanone","Acta Crystallographica Section E","2013","69","6","o918","","10.1107/S1600536813012956","","","0.71073","MoKα","","0.0772","0.0451","","","0.1101","0.1283","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237805","11.1257","0.0002","7.4232","0.0001","19.4212","0.0003","90","","97.319","0.001","90","","1590.9","0.04","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-Fluorophenyl)-3-methylsulfanyl-5-phenyl-1-benzofuran","","- C21 H15 F O S -","- C21 H15 F O S -","- C84 H60 F4 O4 S4 -","4","1","DS2230","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-(2-Fluorophenyl)-3-methylsulfanyl-5-phenyl-1-benzofuran","Acta Crystallographica Section E","2013","69","5","o721","","10.1107/S1600536813009768","","","0.71073","MoKα","","0.0488","0.037","","","0.094","0.1009","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237806","12.1493","0.0009","14.2208","0.0011","14.71","0.0011","101.811","0.001","98.278","0.001","109.759","0.001","2277.7","0.3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","Aquacarbonyl(ferrocenyldithiophosphonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) dichloromethane monosolvate","","- C48 H43 Cl2 Fe O3 P3 Ru S2 -","- C48 H43 Cl2 Fe O3 P3 Ru S2 -","- C96 H86 Cl4 Fe2 O6 P6 Ru2 S4 -","2","1","DS2231","Zhu, Hang; Ma, Qing; Shi, Hua-Tian; Chen, Qun; Zhang, Qian-Feng","Aquacarbonyl(ferrocenyldithiophosphonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) dichloromethane monosolvate","Acta Crystallographica Section E","2013","69","6","m343","","10.1107/S1600536813014311","","","0.71073","MoKα","","0.0711","0.0543","","","0.1403","0.1543","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237807","12.325","0.0018","8.8409","0.0013","16.721","0.002","90","","98.558","0.002","90","","1801.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetraethylammonium trichlorido(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)zinc","","- C11 H27 Cl3 N2 O Zn -","- C11 H27 Cl3 N2 O Zn -","- C44 H108 Cl12 N8 O4 Zn4 -","4","1","DS2232","Chao, Guo-Ping; Shi, Hua-Tian; Chen, Qun; Zhang, Qian-Feng","Tetraethylammonium trichlorido(<i>N</i>,<i>N</i>'-dimethylformamide-κ<i>O</i>)zinc","Acta Crystallographica Section E","2013","69","6","m344","","10.1107/S1600536813014323","","","0.71073","MoKα","","0.0405","0.0305","","","0.0732","0.0781","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237808","20.5028","0.0006","9.5882","0.0004","18.7797","0.0006","90","","96.629","0.003","90","","3667.1","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[[diaquabis[1,2-bis(pyridin-4-yl)diazene]copper(II)]-μ-1,2-bis(pyridin-4-yl)diazene] bis(perchlorate)]","","- C30 H28 Cl2 Cu N12 O10 -","- C30 H28 Cl2 Cu N12 O10 -","- C120 H112 Cl8 Cu4 N48 O40 -","4","0.5","FB2274","Ballestero-Martínez, Ernesto; Campos-Fernández, Cristian Saul; Soto-Tellini, Victor Hugo; Gonzalez-Montiel, Simplicio; Martínez-Otero, Diego","<i>catena</i>-Poly[[[diaquabis[1,2-bis(pyridin-4-yl)diazene]copper(II)]-μ-1,2-bis(pyridin-4-yl)diazene] bis(perchlorate)]","Acta Crystallographica Section E","2013","69","6","m317","m318","10.1107/S1600536813012269","","","0.71073","MoKα","","0.0571","0.0427","","","0.1021","0.1063","","","","","","2.67","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237809","5.7379","0.0002","7.7338","0.0003","17.167","0.0007","97.887","0.002","92.864","0.002","107.34","0.002","716.97","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","Benzylammonium heptanoate","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C28 H46 N2 O4 -","2","1","FB2281","Wood, Mary H.; Clarke, Stuart M.","Benzylammonium heptanoate","Acta Crystallographica Section E","2013","69","5","o755","o756","10.1107/S1600536813009574","","","0.71073","MoKα","","0.0828","0.0542","","","0.1253","0.1412","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237810","9.2503","0.0001","29.3854","0.0004","16.2616","0.0002","90","","96.901","0.001","90","","4388.27","0.09","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","9-[3-(Carbazol-9-yl)-5-methylphenyl]carbazole","","- C31 H22 N2 -","- C31 H22 N2 -","- C248 H176 N16 -","8","2","FB2283","Kim, Jae Eun; Kim, Jun Hee; Sim, Wonbo; Lee, Jai Young","9-[3-(Carbazol-9-yl)-5-methylphenyl]carbazole","Acta Crystallographica Section E","2013","69","6","o828","","10.1107/S1600536813011641","","","0.71073","MoKα","","0.087","0.0509","","","0.1041","0.1173","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237811","8.6733","0.0008","11.8116","0.0009","17.6227","0.0015","90","","95.661","0.003","90","","1796.6","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)-2-(trifluoromethyl)aniline","","- C22 H16 F3 N -","- C22 H16 F3 N -","- C88 H64 F12 N4 -","4","1","FF2102","Yu, Byung-Yong; Lee, Ji Eun; Cho, Yong Seo; Cha, Joo Hwan; Lee, Jae Kyun","(<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)-2-(trifluoromethyl)aniline","Acta Crystallographica Section E","2013","69","5","o757","","10.1107/S1600536813010283","","","0.71075","MoKα","","","0.0507","","","","0.1579","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237812","12.955","0.003","7.346","0.0016","14.422","0.003","90","","103.263","0.01","90","","1335.9","0.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-aminobiphenyl-4,4'-dicarboxylate","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","FF2103","Lehane, Ryan L.; Golen, James A.; Rheingold, Arnold L.; Manke, David R.","Dimethyl 2-aminobiphenyl-4,4'-dicarboxylate","Acta Crystallographica Section E","2013","69","5","o797","","10.1107/S1600536813010775","","","0.71073","MoKα","","0.0692","0.0451","","","0.111","0.1239","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237813","14.5204","0.0009","7.2358","0.0005","10.3955","0.0006","90","","90","","90","","1092.22","0.12","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tetraammine-2κ^4^<i>C</i>-μ-cyanido-1:2κ^2^<i>C</i>:<i>N</i>-tricyanido-1κ^3^<i>C</i>-copper(II)palladium(II)","","- C4 H12 Cu N8 Pd -","- C4 H12 Cu N8 Pd -","- C16 H48 Cu4 N32 Pd4 -","4","0.5","FF2104","Suchá, Veronika; Kuchár, Juraj; Harms, Klaus","Tetraammine-2κ^4^<i>C</i>-μ-cyanido-1:2κ^2^<i>C</i>:<i>N</i>-tricyanido-1κ^3^<i>C</i>-copper(II)palladium(II)","Acta Crystallographica Section E","2013","69","5","i32","","10.1107/S1600536813011033","","","0.71073","MoKα","","0.0278","0.0247","","","0.0604","0.0611","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237814","5.9367","0.0007","18.8521","0.0016","19.3709","0.0016","90","","99.681","0.003","90","","2137.1","0.4","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-9-(4-Fluorostyryl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-2<i>H</i>-xanthene-1,8-dione","","- C25 H27 F O3 -","- C25 H27 F O3 -","- C100 H108 F4 O12 -","4","1","FF2106","Lee, Jae Kyun; Min, Sun-Joon; Cho, Yong Seo; Cha, Joo Hwan; Won, Sung Ok","(<i>E</i>)-9-(4-Fluorostyryl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-2<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2013","69","6","o985","","10.1107/S1600536813014049","","","0.71075","MoKα","","","0.0534","","","","0.169","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237815","15.1475","0.0006","7.6501","0.0003","15.8339","0.0006","90","","102.105","0.003","90","","1794.03","0.12","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-bromophenyl}(phenyl)methanone","","- C21 H14 Br N O2 S -","- C21 H14 Br N O2 S -","- C84 H56 Br4 N4 O8 S4 -","4","1","FF2107","Venugopala, K. N.; Nayak, Susanta K.; Odhav, B.","{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-bromophenyl}(phenyl)methanone","Acta Crystallographica Section E","2013","69","6","o984","","10.1107/S1600536813014086","","","0.7107","MoKα","","0.1196","0.0539","","","0.0997","0.12","","","","","","0.982","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237816","8.5444","0.0003","10.9406","0.0004","37.8017","0.0015","90","","90","","90","","3533.7","0.2","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Metacridamide B","(3<i>S</i>,6<i>E</i>,8<i>S</i>,9<i>R</i>,10<i>E</i>,12<i>S</i>,13<i>S</i>,14<i>E</i>,16<i>S</i>,17<i>R</i>)-3-Benzyl-9,13-dihydroxy-6,8,10,12,14,16- hexamethyl-17-[(2<i>S</i>,4<i>S</i>)-4-methylhexan-2-yl]-1-oxa-4-azacycloheptadeca-6,10,14-triene-2,5-dione methanol-<i>d</i>~4~ monosolvate","","- C36 H57 N O6 -","- C36 H57 N O6 -","- C144 H228 N4 O24 -","4","1","FJ2623","Englich, Ulrich; Krasnoff, Stuart B.","Metacridamide B methanol-<i>d</i>~4~ monosolvate","Acta Crystallographica Section E","2013","69","5","o742","","10.1107/S1600536813009641","","","1.54178","CuKα","","0.0433","0.0426","","","0.1137","0.1147","","","","","","1.111","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237817","9.9621","0.0005","10.8702","0.0006","12.2298","0.0007","70.421","0.002","74.56","0.002","77.296","0.002","1190.24","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","Olanzapine propan-2-ol disolvate","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine propan-2-ol disolvate","","- C23 H36 N4 O2 S -","- C23 H36 N4 O2 S -","- C46 H72 N8 O4 S2 -","2","1","FJ2624","Bhardwaj, Rajni M.; Florence, Alastair J.","2-Methyl-4-(4-methylpiperazin-1-yl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine (olanzapine) propan-2-ol disolvate","Acta Crystallographica Section E","2013","69","5","o752","o753","10.1107/S1600536813009811","","","0.71073","MoKα","","0.0482","0.0376","","","0.0983","0.1058","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237818","17.743","0.0009","8.7581","0.0003","8.1135","0.0003","90","","101.795","0.005","90","","1234.18","0.09","123","0.1","123","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-Dimethoxy-4'-methylbiphenyl","","- C15 H16 O2 -","- C15 H16 O2 -","- C60 H64 O8 -","4","1","FJ2625","Lahtinen, Manu; Nummelin, Sami","3,4-Dimethoxy-4'-methylbiphenyl","Acta Crystallographica Section E","2013","69","5","o681","","10.1107/S1600536813008957","","","1.5418","CuKα","","0.0629","0.0519","","","0.1302","0.143","","","","","","1.073","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237819","42.9266","0.0017","5.9741","0.0003","5.068","0.0002","90","","90","","90","","1299.68","0.1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","(2<i>E</i>)-1-(4-Chlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one","","- C15 H10 Cl N O3 -","- C15 H10 Cl N O3 -","- C60 H40 Cl4 N4 O12 -","4","1","FJ2627","Yamuna, T. S.; Yathirajan, H. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Narayana, B.; Sarojini, B. K.","(2<i>E</i>)-1-(4-Chlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","5","o790","o791","10.1107/S1600536813010854","","","1.5418","CuKα","","0.0495","0.0484","","","0.099","0.0996","","","","","","1.141","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237820","12.6455","0.0016","12.7423","0.0016","8.9306","0.0009","90","","90","","90","","1439","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-methoxybenzylidene]pyridine-4-carbohydrazide monohydrate","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C56 H60 N12 O16 -","4","1","FJ2628","Prasanna, M. K.; Sithambaresan, M.; Pradeepkumar, K.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-2-Hydroxy-5-methoxybenzylidene]pyridine-4-carbohydrazide monohydrate","Acta Crystallographica Section E","2013","69","6","o881","","10.1107/S160053681301235X","","","0.71073","MoKα","","0.0764","0.0454","","","0.1077","0.1238","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237821","4.2399","0.0002","10.4463","0.0004","14.5144","0.0006","107.611","0.002","90.628","0.003","99.784","0.003","602.49","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-Benzyl-6-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one","","- C13 H10 Br N3 O -","- C13 H10 Br N3 O -","- C26 H20 Br2 N6 O2 -","2","1","FJ2630","Kandri Rodi, Youssef; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; Essassi, El Mokhtar; El Ammari, Lahcen","3-Benzyl-6-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","6","o962","","10.1107/S1600536813013780","","","0.71073","MoKα","","0.048","0.0326","","","0.0793","0.0852","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237822","24.287","0.003","8.6534","0.0012","18.355","0.002","90","","94.851","0.009","90","","3843.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dichlorido{2,6-diisopropyl-<i>N</i>-[(<i>S</i>)-pyrrolidin-2-ylmethyl]aniline-κ^2^<i>N</i>,<i>N</i>'}palladium(II)","","- C17 H28 Cl2 N2 Pd -","- C17 H28 Cl2 N2 Pd -","- C136 H224 Cl16 N16 Pd8 -","8","1","FK2069","Nayab, Saira; Lee, Hong-In; Jeong, Jong Hwa","Dichlorido{2,6-diisopropyl-<i>N</i>-[(<i>S</i>)-pyrrolidin-2-ylmethyl]aniline-κ^2^<i>N</i>,<i>N</i>'}palladium(II)","Acta Crystallographica Section E","2013","69","5","m238","m239","10.1107/S1600536813008271","","","0.71073","MoKα","","0.0453","0.038","","","0.1031","0.1053","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237823","19.4734","0.0004","7.7679","0.0002","19.8042","0.0004","90","","97.552","0.001","90","","2969.75","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-2-hydroxyimino-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C112 H128 N48 O16 -","8","2","FK2070","Plutenko, Maxym O.; Lampeka, Rostislav D.; Haukka, Matti; Nordlander, Ebbe","A second monoclinic polymorph of 2-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl)-2-hydroxyimino-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide","Acta Crystallographica Section E","2013","69","5","o765","o766","10.1107/S1600536813009628","","","0.71073","MoKα","","0.0491","0.0378","","","0.0983","0.1061","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237824","6.689","0.003","9.009","0.004","13.257","0.006","87.193","0.005","87.719","0.005","82.674","0.005","791","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(3-Chlorophenyl)-5-(2,4-dihydroxybenzoyl)pyridin-2(1<i>H</i>)-one","","- C18 H12 Cl N O4 -","- C18 H12 Cl N O4 -","- C36 H24 Cl2 N2 O8 -","2","1","FY2085","Ren, Fang; Li, Guifeng; Zhang, Quanying; Yao, Jinhua; Zhang, Xuli","1-(3-Chlorophenyl)-5-(2,4-dihydroxybenzoyl)pyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2013","69","5","o732","","10.1107/S1600536813009689","","","0.71073","MoKα","","0.0969","0.078","","","0.2153","0.2334","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237825","5.8062","0.0004","9.9267","0.0007","18.4548","0.0013","103.281","0.002","92.49","0.002","104.741","0.002","995.26","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Diethyl 4-hydroxy-4-methyl-2-(4-methylphenyl)-6-oxocyclohexane-1,3-dicarboxylate","","- C20 H26 O6 -","- C20 H26 O6 -","- C40 H52 O12 -","2","1","FY2087","Ismiev, Arif I.; Gadirova, Narmina A.; Hajiyeva, Kushvar E.; Askerov, Rizvan K.; Potekhin, Konstantin A.","(1<i>R</i>*,2<i>R</i>*,3<i>S</i>*,4<i>R</i>*)-Diethyl 4-hydroxy-4-methyl-2-(4-methylphenyl)-6-oxocyclohexane-1,3-dicarboxylate","Acta Crystallographica Section E","2013","69","5","o734","","10.1107/S1600536813009872","","","0.71073","MoKα","","0.0917","0.0533","","","0.121","0.1405","","","","","","1.006","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237826","18.8906","0.0008","6.8391","0.0003","15.3542","0.0008","90","","126.815","0.003","90","","1588.08","0.14","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Alternariol 9-<i>O</i>-methyl ether dimethyl sulfoxide monosolvate","3,7-Dihydroxy-9-methoxy-1-methyl-6<i>H</i>-benzo[<i>c</i>]chromen-6-one dimethylsulfoxide monosolvate","","- C17 H18 O6 S -","- C17 H18 O6 S -","- C68 H72 O24 S4 -","4","0.5","FY2088","Dasari, Sreekanth; Miller, Kristin I.; Kalaitzis, John A.; Bhadbhade, Mohan; Neilan, Brett A.","Alternariol 9-<i>O</i>-methyl ether dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2013","69","6","o872","o873","10.1107/S1600536813012294","","","0.71073","MoKα","","0.0356","0.0319","","","0.0898","0.0933","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237827","10.3457","0.0007","5.4662","0.0005","13.2446","0.0012","90","","102.849","0.002","90","","730.25","0.11","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4a<i>R</i>,9<i>R</i>,9a<i>R</i>)-7-Bromo-9-nitromethyl-2,3,4,4a,9,9a-hexahydro-1<i>H</i>-xanthen-1-one","","- C14 H14 Br N O4 -","- C14 H14 Br N O4 -","- C28 H28 Br2 N2 O8 -","2","1","FY2090","Wu, Chao; Guo, Yan-Jun; Xia, Ai-Bao","(4a<i>R</i>,9<i>R</i>,9a<i>R</i>)-7-Bromo-9-nitromethyl-2,3,4,4a,9,9a-hexahydro-1<i>H</i>-xanthen-1-one","Acta Crystallographica Section E","2013","69","5","o794","","10.1107/S1600536813008659","","","0.71073","MoKα","","0.096","0.0517","","","0.1147","0.1367","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237828","8.4361","0.0003","8.8812","0.0003","11.2582","0.0004","87.692","0.002","71.022","0.002","89.21","0.002","797","0.05","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","3-Acetyl-2-methyl-4-(pyridin-3-yl)-1,4-dihydroindeno[1,2-<i>b</i>]pyridin-5-one","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","1","FY2091","Bisenieks, Imants; Mishnev, Anatoly; Bruvere, Imanta; Vigante, Brigita; Andzans, Zigmars","3-Acetyl-2-methyl-4-(pyridin-3-yl)-1,4-dihydroindeno[1,2-<i>b</i>]pyridin-5-one","Acta Crystallographica Section E","2013","69","5","o717","","10.1107/S1600536813009719","","","0.71073","MoKα","","0.0678","0.0469","","","0.1128","0.1244","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237829","6.4604","0.0003","10.9964","0.0004","12.9074","0.0005","93.205","0.003","96.446","0.003","100.507","0.003","893.14","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4-(Adamantan-1-yl)-2-(4-fluorophenyl)quinoline","","- C25 H24 F N -","- C25 H24 F N -","- C50 H48 F2 N2 -","2","1","FY2093","Kozubková, Zuzana; Babjaková, Eva; Bartoš, Peter; Vícha, Robert","4-(Adamantan-1-yl)-2-(4-fluorophenyl)quinoline","Acta Crystallographica Section E","2013","69","6","o882","","10.1107/S1600536813012336","","","0.71073","MoKα","","0.0451","0.0337","","","0.0961","0.099","","","","","","1.078","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237830","4.6074","0.0007","21.68","0.003","12.7907","0.0018","90","","93.342","0.002","90","","1275.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(3,4-Dichlorobenzylidene)amino]-4-methylphenol","","- C14 H11 Cl2 N O -","- C14 H11 Cl2 N O -","- C56 H44 Cl8 N4 O4 -","4","1","FY2096","Kose, Muhammet; Gonul, Ilyas; McKee, Vickie","2-[(3,4-Dichlorobenzylidene)amino]-4-methylphenol","Acta Crystallographica Section E","2013","69","6","o961","","10.1107/S1600536813013585","","","0.71073","MoKα","","0.0458","0.0349","","","0.0879","0.0935","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237831","13.6892","0.0005","6.0339","0.0002","17.1786","0.0007","90","","92.741","0.002","90","","1417.32","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(2-Fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","","- C17 H15 F O2 S -","- C17 H15 F O2 S -","- C68 H60 F4 O8 S4 -","4","1","FY2099","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(2-Fluorophenylsulfinyl)-2,4,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2013","69","6","o998","","10.1107/S160053681301461X","","","0.71073","MoKα","","0.053","0.0426","","","0.1073","0.1139","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237832","7.547","0.005","20.216","0.005","13.415","0.005","90","","96.07","0.005","90","","2035.3","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 3-(pyridin-4-ylmethylidene)dithiocarbazate","","- C8 H9 N3 S2 -","- C8 H9 N3 S2 -","- C64 H72 N24 S16 -","8","2","GG2112","Wang, Hui; Hossain, Abul-Monsur-Showkot; Wang, Shi-Chao; Tian, Yu-Peng","Methyl 3-(pyridin-4-ylmethylidene)dithiocarbazate","Acta Crystallographica Section E","2013","69","5","o712","","10.1107/S1600536813009409","","","0.71069","MoKα","","0.0716","0.0435","","","0.1038","0.1237","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237833","6.3535","0.0003","10.7304","0.0006","8.5629","0.0004","90","","99.49","0.002","90","","575.79","0.05","290","2","290","2","","","","","","","","7","P 1 21 1","P 2yb","4","","<i>fac</i>-diaquatrichlorido[(dimethylphosphoryl)methanaminium-κ<i>O</i>]manganese(II)","","- C3 H15 Cl3 Mn N O3 P -","- C3 H15 Cl3 Mn N O3 P -","- C6 H30 Cl6 Mn2 N2 O6 P2 -","2","1","GG2113","Reiss, Guido J.","Pseudosymmetric <i>fac</i>-diaquatrichlorido[(dimethylphosphoryl)methanaminium-κ<i>O</i>]manganese(II)","Acta Crystallographica Section E","2013","69","5","m250","m251","10.1107/S1600536813008751","","","0.71073","MoKα","","0.0143","0.0142","","","0.0375","0.0377","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237834","4.7573","0.0001","11.1432","0.0003","19.3311","0.0005","90","","90","","90","","1024.77","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>R</i>)-2-Cyano-<i>N</i>-(1-phenylethyl)acetamide","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","GK2561","Kumar, Mohan; Madhukar, B. S.; Sridhar, M. A.; Bhadregowda, D. G.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni","(<i>R</i>)-2-Cyano-<i>N</i>-(1-phenylethyl)acetamide","Acta Crystallographica Section E","2013","69","5","o653","","10.1107/S1600536813008131","","","0.71073","MoKα","","0.037","0.0326","","","0.0767","0.0791","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237835","19.6446","0.0004","21.5251","0.0004","22.9585","0.0004","90","","90","","90","","9708","0.3","193","2","193","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","(4-Ethoxybenzoyl)[8-(4-ethoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl]methanone","","- C30 H28 O6 -","- C30 H28 O6 -","- C480 H448 O96 -","16","0.5","GK2562","Sasagawa, Kosuke; Sakamoto, Rei; Hijikata, Daichi; Yonezawa, Noriyuki; Okamoto, Akiko","(4-Ethoxybenzoyl)[8-(4-ethoxybenzoyl)-2,7-dimethoxynaphthalen-1-yl]methanone","Acta Crystallographica Section E","2013","69","5","o651","","10.1107/S1600536813008581","","","1.54187","CuKα","","0.0421","0.041","","","0.0976","0.0986","","","","","","1.148","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237836","20.8009","0.0012","10.1124","0.0007","6.6121","0.0005","90","","100.787","0.006","90","","1366.26","0.16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[2-(hydroxyimino)cyclohexan-1-one oximato-κ^2^<i>N</i>,<i>N</i>']copper(II)","","- C12 H18 Cu N4 O4 -","- C12 H18 Cu N4 O4 -","- C48 H72 Cu4 N16 O16 -","4","0.5","GK2564","Melnic, Elena; Coropceanu, Eduard B.; Croitor, Lilia","Bis[2-(hydroxyimino)cyclohexan-1-one oximato-κ^2^<i>N</i>,<i>N</i>']copper(II)","Acta Crystallographica Section E","2013","69","5","m240","","10.1107/S160053681300785X","","","0.71073","MoKα","","0.0686","0.0419","","","0.0915","0.1089","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237837","11.1865","0.0005","18.1771","0.0008","13.4748","0.0006","90","","112.883","0.001","90","","2524.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ir(TpMe2)(C4H8)(PMe3) M-37","(Butane-1,4-diyl)(trimethylphosphane-κ<i>P</i>)[tris(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]iridium(III)","","- C22 H39 B Ir N6 P -","- C22 H39 B Ir N6 P -","- C88 H156 B4 Ir4 N24 P4 -","4","1","GK2565","Gómez, Margarita; Santos, Laura L.; Paneque, Margarita; Mereiter, Kurt","(Butane-1,4-diyl)(trimethylphosphane-κ<i>P</i>)[tris(3,5-dimethylpyrazol-1-yl-κ<i>N</i>^2^)hydroborato]iridium(III)","Acta Crystallographica Section E","2013","69","5","m234","m235","10.1107/S1600536813008040","","","0.71073","MoKα","","0.0185","0.0165","","","0.0397","0.0404","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237838","9.3986","0.0003","10.3793","0.0003","12.6207","0.0003","80.735","0.002","81.959","0.002","77.999","0.002","1181.3","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","6-[3-(<i>p</i>-Tolylsulfonylamino)propyl]diquinothiazine","<i>N</i>-[3-(Diquino[3,2-<i>b</i>;2',3'-<i>e</i>][1,4]thiazin-6-yl)propyl]-4-methylbenzenesulfonamide","","- C28 H24 N4 O2 S2 -","- C28 H24 N4 O2 S2 -","- C56 H48 N8 O4 S4 -","2","1","GK2566","Jeleń, Małgorzata; Shkurenko, Aleksander; Suwińska, Kinga; Pluta, Krystian; Morak-Młodawska, Beata","6-[3-(<i>p</i>-Tolylsulfonylamino)propyl]diquinothiazine","Acta Crystallographica Section E","2013","69","6","o972","o973","10.1107/S1600536813013950","","","0.71073","MoKα","","0.0363","0.0332","","","0.0902","0.0927","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237839","7.642","0.003","8.111","0.004","14.043","0.006","97.539","0.008","98.055","0.008","92.695","0.008","852.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 7-oxo-7<i>H</i>-benzo[<i>de</i>]imidazo[5,1-<i>a</i>]isoquinoline-11-carboxylate‒trifluoroacetic acid (1/1)","","- C19 H13 F3 N2 O5 -","- C19 H13 F3 N2 O5 -","- C38 H26 F6 N4 O10 -","2","1","GK2567","Stibrany, Robert T.; Potenza, Joseph A.","Ethyl 7-oxo-7<i>H</i>-benzo[<i>de</i>]imidazo[5,1-<i>a</i>]isoquinoline-11-carboxylate‒trifluoroacetic acid (1/1)","Acta Crystallographica Section E","2013","69","6","o977","o978","10.1107/S1600536813013834","","","0.71073","MoKα","","0.0653","0.0495","","","0.1284","0.1398","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237840","18.929","0.0005","16.1945","0.0007","19.0895","0.0017","90","","97.368","0.007","90","","5803.5","0.6","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis[μ-1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>']digold(I) tetrachloridonickelate(II) diethyl ether monosolvate","","- C58 H62 Au2 Cl4 Ni O P4 -","- C58 H62 Au2 Cl4 Ni O P4 -","- C232 H248 Au8 Cl16 Ni4 O4 P16 -","4","1","GK2571","Igashira-Kamiyama, Asako; Itai, Takuma; Arai, Yuka; Konno, Takumi","Bis[μ-1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>']digold(I) tetrachloridonickelate(II) diethyl ether monosolvate","Acta Crystallographica Section E","2013","69","6","m339","","10.1107/S1600536813013470","","","0.71075","MoKα","","0.0706","0.0475","","","0.078","0.0834","","","","","","1.138","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237841","8.113","0.003","11.733","0.005","12.713","0.002","76.397","0.001","73.49","0.002","86.185","0.005","1127.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2-(4-(trifluoromethyl)phenyl)-1H-phenanthro[9,10-d]imidazole","1-(4-Methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C29 H19 F3 N2 -","- C29 H19 F3 N2 -","- C58 H38 F6 N4 -","2","1","GO2084","Mohandas, T.; Sathishkumar, R.; Jayabharathi, J.; Pasupathy, A.; Sakthivel, P.","1-(4-Methylphenyl)-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","Acta Crystallographica Section E","2013","69","5","o710","","10.1107/S1600536813009471","","","0.71073","MoKα","","0.0978","0.0682","","","0.2072","0.2357","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237842","15.6277","0.0007","4.0784","0.0002","12.1026","0.0005","90","","105.81","0.004","90","","742.19","0.06","290.51","0.1","290.51","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(<i>E</i>,<i>E</i>,<i>E</i>)-1,6-Bis(4-chlorophenyl)hexa-1,3,5-triene","<i>trans</i>,<i>trans</i>,<i>trans</i>-1,6-Bis(4-chlorophenyl)hexa-1,3,5-triene","","- C18 H14 Cl2 -","- C18 H14 Cl2 -","- C36 H28 Cl4 -","2","0.5","GO2085","Li, Zhiying","(<i>E</i>,<i>E</i>,<i>E</i>)-1,6-Bis(4-chlorophenyl)hexa-1,3,5-triene","Acta Crystallographica Section E","2013","69","5","o699","","10.1107/S160053681300932X","","","0.7107","MoKα","","0.0533","0.0394","","","0.0905","0.1046","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237843","10.015","0.005","4.647","0.003","10.904","0.005","90","","109.755","0.007","90","","477.6","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","[(2<i>S</i>,3a<i>R</i>,6a<i>R</i>)-5-Oxohexahydrofuro[3,2-<i>b</i>]furan-2-yl]methyl acetate","","- C9 H12 O5 -","- C9 H12 O5 -","- C18 H24 O10 -","2","1","GO2086","González, María; Martínez, Andrea; Rivadulla, Marcos L.; Matos, Maria J.","[(2<i>S</i>,3a<i>R</i>,6a<i>R</i>)-5-Oxohexahydrofuro[3,2-<i>b</i>]furan-2-yl]methyl acetate","Acta Crystallographica Section E","2013","69","5","o772","","10.1107/S1600536813010313","","","0.71073","MoKα","","0.0535","0.0436","","","0.0924","0.0967","","","","","","1.067","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237844","5.2892","0.0008","10.7213","0.0016","19.559","0.003","90","","90","","90","","1109.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,2<i>S</i>,5<i>S</i>)-2-Methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile","","- C11 H15 N O -","- C11 H15 N O -","- C44 H60 N4 O4 -","4","1","GO2087","Rivadulla, Marcos L.; Fall, Alioune; González, María; Matos, Maria J.","(1<i>S</i>,2<i>S</i>,5<i>S</i>)-2-Methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexane-1-carbonitrile","Acta Crystallographica Section E","2013","69","5","o799","","10.1107/S1600536813011197","","","0.71073","MoKα","","0.065","0.0523","","","0.1485","0.1641","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237845","8.4669","0.0002","15.0636","0.0003","21.4516","0.0004","90","","90","","90","","2735.98","0.1","173","2","173.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4,5-Trimethoxy-4'-methylbiphenyl","","- C16 H18 O3 -","- C16 H18 O3 -","- C128 H144 O24 -","8","1","GO2088","Lahtinen, Manu; Nättinen, Kalle; Nummelin, Sami","3,4,5-Trimethoxy-4'-methylbiphenyl","Acta Crystallographica Section E","2013","69","5","o810","o811","10.1107/S1600536813010969","","","0.71069","MoKα","","0.0632","0.0431","","","0.1059","0.1172","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237846","29.993","0.004","7.9105","0.0006","21.458","0.003","90","","119.86","0.016","90","","4415.2","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1,3-dimethyl-1<i>H</i>-chromeno[2,3-<i>d</i>]pyrimidine-2,4(3<i>H</i>,5<i>H</i>)-dione 3.5-hydrate","","- C19 H26 N5 O8.5 -","- C19 H26 N5 O8.5 -","- C152 H208 N40 O68 -","8","1","GO2089","Roy, Subhadip; Das, Subrata","5-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-1,3-dimethyl-1<i>H</i>-chromeno[2,3-<i>d</i>]pyrimidine-2,4(3<i>H</i>,5<i>H</i>)-dione 3.5-hydrate","Acta Crystallographica Section E","2013","69","6","o974","o975","10.1107/S1600536813013986","","","0.71073","MoKα","","0.1123","0.0603","","","0.1094","0.1368","","","","","","0.977","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237847","9.1934","0.0002","9.8641","0.0003","10.0778","0.0003","94.033","0.002","114.207","0.002","102.512","0.002","800.64","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-Benzoyl-4-chlorophenyl benzoate","","- C20 H13 Cl O3 -","- C20 H13 Cl O3 -","- C40 H26 Cl2 O6 -","2","1","GO2090","Begum A, Bushra; Al-Ghorbani, Mohammed; Sharma, Suresh; Gupta, Vivek K.; Khanum, Shaukath Ara","2-Benzoyl-4-chlorophenyl benzoate","Acta Crystallographica Section E","2013","69","6","o999","o1000","10.1107/S1600536813014396","","","0.71073","MoKα","","0.0443","0.035","","","0.0783","0.0841","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237848","8.328","0.005","16.407","0.005","14.759","0.005","90","","99.509","0.005","90","","1988.9","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-{[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]methyl}-4-<i>m</i>-tolyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C20 H18 Cl N5 S -","- C20 H18 Cl N5 S -","- C80 H72 Cl4 N20 S4 -","4","1","GW2132","Farrukh, Muhammad A.; Ahmed, Maqsood; Mohamed, Shaaban K.; Marzouk, Adel A.; El-Moghazy, Samir M.","3-{[5-(4-Chlorophenyl)-3-methyl-1<i>H</i>-pyrazol-1-yl]methyl}-4-<i>m</i>-tolyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2013","69","6","o936","o937","10.1107/S1600536813013494","","","0.71073","MoKα","","0.0496","0.0383","","","0.099","0.1124","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237849","6.9388","0.0012","10.1962","0.0018","17.002","0.003","82.45","0.003","78.615","0.003","80.064","0.003","1155.6","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Bis(pyridine-4-carboxaldehyde) fumaric acid","Pyridine-4-carbaldehyde‒fumaric acid (2/1)","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C48 H42 N6 O18 -","3","1.5","GW2133","Sandhu, Bhupinder; Draguta, Sergiu; Fonari, Marina S.; Antipin, Mikhail; Timofeeva, Tatiana V.","Pyridine-4-carbaldehyde‒fumaric acid (2/1)","Acta Crystallographica Section E","2013","69","6","o940","","10.1107/S1600536813013445","","","0.71073","MoKα","","0.0393","0.0333","","","0.0909","0.094","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237850","9.038","0.004","14.237","0.005","10.405","0.004","90","","107.456","0.005","90","","1277.2","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(2-Methoxyphenyl)phthalamic acid","2-[(2-Methoxyphenyl)carbamoyl]benzoic acid","","- C15 H13 N O4 -","- C15 H13 N O4 -","- C60 H52 N4 O16 -","4","1","GW2134","Waddell, Paul G.; Rutledge, Rupert J.; Cole, Jacqueline M.","<i>N</i>-(2-Methoxyphenyl)phthalamic acid","Acta Crystallographica Section E","2013","69","6","o930","","10.1107/S1600536813013408","","","0.71073","MoKα","","0.0479","0.0435","","","","0.1112","","","","","","1.09","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237851","8.7017","0.0015","10.2205","0.0016","10.3082","0.0015","117.624","0.002","92.371","0.002","113.744","0.002","713.5","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","2,4-Bis(dimethylamino)-1,3,5-trimethyl-6-(nitrooxy)borazine","","- C7 H21 B3 N6 O3 -","- C7 H21 B3 N6 O3 -","- C14 H42 B6 N12 O6 -","2","1","HB7055","Rodriguez, Mark A.; Borek, Theodore T.","2,4-Bis(dimethylamino)-1,3,5-trimethyl-6-(nitrooxy)borazine","Acta Crystallographica Section E","2013","69","5","o634","","10.1107/S1600536813007484","","","0.71073","MoKα","","0.071","0.0461","","","0.1084","0.1235","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237852","7.9564","0.0001","24.117","0.0004","8.466","0.0001","90","","105.38","0.001","90","","1566.32","0.04","100","1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-[5-(2<i>H</i>-1,3-Benzodioxol-5-yl)-3-(4-methylphenyl)-2-pyrazolin-1-yl]ethanone","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","HB7056","Loh, Wan-Sin; Razak, Ibrahim Abdul; Abdul Rahiman, M.; Ravikumar, G. N.","1-[5-(2<i>H</i>-1,3-Benzodioxol-5-yl)-3-(4-methylphenyl)-2-pyrazolin-1-yl]ethanone","Acta Crystallographica Section E","2013","69","5","o726","","10.1107/S1600536813008817","","","0.71073","MoKα","","0.0839","0.0622","","","0.1247","0.1356","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237853","18.88","0.002","5.8979","0.001","20.916","0.002","90","","90","","90","","2329","0.5","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[[manganese(III)-bis{μ-2-[(2-hydroxyethyl)iminomethyl]-6-methoxyphenolato-κ^3^<i>O</i>^1^,<i>N</i>:<i>O</i>^2^;κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^1^}] iodide]","","- C20 H24 I Mn N2 O6 -","- C20 H24 I Mn N2 O6 -","- C80 H96 I4 Mn4 N8 O24 -","4","1","HB7060","Petrusenko, Svitlana R.; Stetsyuk, Oleg M.; Omelchenko, Irina V.","<i>catena</i>-Poly[[manganese(III)-bis{μ-2-[(2-hydroxyethyl)iminomethyl]-6-methoxyphenolato-κ^3^<i>O</i>^1^,<i>N</i>:<i>O</i>^2^;κ^3^<i>O</i>^2^:<i>N</i>,<i>O</i>^1^}] iodide]","Acta Crystallographica Section E","2013","69","6","m326","m327","10.1107/S1600536813012695","","","0.71073","MoKα","","0.1895","0.0756","","","0.1373","0.1731","","","","","","0.922","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237854","6.289","0.0005","10.8874","0.0008","11.9691","0.0009","101.144","0.007","92.634","0.006","91.634","0.006","802.65","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-3-(4-Fluorophenyl)-1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]prop-2-en-1-one","","- C19 H16 F N3 O -","- C19 H16 F N3 O -","- C38 H32 F2 N6 O2 -","2","1","HB7061","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-3-(4-Fluorophenyl)-1-[5-methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]prop-2-en-1-one","Acta Crystallographica Section E","2013","69","5","o638","","10.1107/S1600536813008246","","","0.71073","MoKα","","0.09","0.053","","","0.111","0.1387","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237855","12.9514","0.0016","13.1","0.0013","13.3735","0.0014","77.666","0.009","74.123","0.01","81.044","0.009","2120.6","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","(2<i>E</i>)-1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one","","- C24 H26 N4 O -","- C24 H26 N4 O -","- C96 H104 N16 O4 -","4","2","HB7062","Abdel-Wahab, Bakr F.; Abdel-Latif, Ehab; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-1-[5-Methyl-1-(4-methylphenyl)-1<i>H</i>-1,2,3-triazol-4-yl]-3-[4-(piperidin-1-yl)phenyl]prop-2-en-1-one","Acta Crystallographica Section E","2013","69","5","o639","o640","10.1107/S1600536813008258","","","0.71073","MoKα","","0.0966","0.0576","","","0.1433","0.1743","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237856","26.1721","0.0017","5.7253","0.0003","23.7008","0.0018","90","","97.802","0.006","90","","3518.5","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-[(4-Phenylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione","","- C17 H18 N4 O S2 -","- C17 H18 N4 O S2 -","- C136 H144 N32 O8 S16 -","8","1","HB7064","El-Emam, Ali A.; Al-Omar, Mohamed A.; Al-Obaid, Abdul-Rahman M.; Ng, Seik Weng; Tiekink, Edward R. T.","3-[(4-Phenylpiperazin-1-yl)methyl]-5-(thiophen-2-yl)-2,3-dihydro-1,3,4-oxadiazole-2-thione","Acta Crystallographica Section E","2013","69","5","o684","","10.1107/S1600536813009252","","","0.71073","MoKα","","0.0717","0.0465","","","0.1053","0.1231","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237857","17.0824","0.0011","7.8212","0.0006","19.6691","0.0014","90","","92.249","0.006","90","","2625.9","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Adamantan-1-yl)-4-[(<i>E</i>)-(2,6-difluorobenzylidene)amino]-1-[(4-ethylpiperazin-1-yl)methyl]-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","","- C26 H34 F2 N6 S -","- C26 H34 F2 N6 S -","- C104 H136 F8 N24 S4 -","4","1","HB7065","Al-Tamimi, Abdul-Malek S.; Al-Abdullah, Ebtehal S.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-4-[(<i>E</i>)-(2,6-difluorobenzylidene)amino]-1-[(4-ethylpiperazin-1-yl)methyl]-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","Acta Crystallographica Section E","2013","69","5","o685","o686","10.1107/S1600536813009264","","","0.71073","MoKα","","0.0898","0.0526","","","0.1144","0.1384","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237858","7.4842","0.0006","7.542","0.0006","8.4262","0.0007","79.985","0.002","84.329","0.002","64.508","0.001","422.62","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[silver(I)-bis[μ-4-methyl-1<i>H</i>-1,2,4-triazole-3(4<i>H</i>)-thione-κ^2^<i>S</i>:<i>S</i>]-silver(I)-di-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>]","","- C8 H10 Ag2 N8 S4 -","- C8 H10 Ag2 N8 S4 -","- C8 H10 Ag2 N8 S4 -","1","0.5","HB7066","Kodcharat, Kultida; Pakawatchai, Chaveng; Saithong, Saowanit","<i>catena</i>-Poly[silver(I)-bis[μ-4-methyl-1<i>H</i>-1,2,4-triazole-3(4<i>H</i>)-thione-κ^2^<i>S</i>:<i>S</i>]-silver(I)-di-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>]","Acta Crystallographica Section E","2013","69","5","m265","m266","10.1107/S160053681300946X","","","0.71073","MoKα","","0.0322","0.029","","","0.068","0.0695","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237859","9.0884","0.0006","6.4559","0.0005","39.827","0.003","90","","95.404","0.003","90","","2326.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-[2-(4-Butoxyphenyl)ethenyl]-1-methylpyridinium tosylate","4-[2-(4-Butoxyphenyl)ethenyl]-1-methylpyridinium 4-methylbenzenesulfonate","","- C25 H29 N O4 S -","- C25 H29 N O4 S -","- C100 H116 N4 O16 S4 -","4","1","HB7067","Kumar, M. Krishna; Margret, S. Mabel; Chakkaravarthi, G.; Velmurugan, D.; Kumar, R. Mohan","4-[2-(4-Butoxyphenyl)ethenyl]-1-methylpyridinium tosylate","Acta Crystallographica Section E","2013","69","5","o709","","10.1107/S1600536813009616","","","0.71073","MoKα","","0.0885","0.0689","","","0.1521","0.1596","","","","","","1.157","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237860","14.1326","0.0013","7.1179","0.0005","18.3685","0.0016","90","","105.546","0.01","90","","1780.2","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(Adamantan-1-yl)-3-anilinomethyl-2,3-dihydro-1,3,4-oxadiazole-2-thione","","- C19 H23 N3 O S -","- C19 H23 N3 O S -","- C76 H92 N12 O4 S4 -","4","1","HB7068","Al-Tamimi, Abdul-Malek S.; Al-Deeb, Omar A.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","5-(Adamantan-1-yl)-3-anilinomethyl-2,3-dihydro-1,3,4-oxadiazole-2-thione","Acta Crystallographica Section E","2013","69","5","o729","","10.1107/S1600536813009835","","","0.71073","MoKα","","0.0749","0.0472","","","0.1106","0.1306","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237861","7.1683","0.0008","10.6621","0.0011","23.592","0.003","90","","90","","90","","1803.1","0.4","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","5-(Adamantan-1-yl)-3-[(4-fluoroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione","","- C19 H22 F N3 O S -","- C19 H22 F N3 O S -","- C76 H88 F4 N12 O4 S4 -","4","1","HB7069","Al-Tamimi, Abdul-Malek S.; Alafeefy, Ahmed M.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","5-(Adamantan-1-yl)-3-[(4-fluoroanilino)methyl]-2,3-dihydro-1,3,4-oxadiazole-2-thione","Acta Crystallographica Section E","2013","69","5","o730","","10.1107/S1600536813009823","","","0.71073","MoKα","","0.1182","0.0625","","","0.1283","0.1583","","","","","","0.983","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237862","7.6084","0.0002","25.5788","0.0004","7.6524","0.0002","90","","111.974","0.003","90","","1381.07","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Acetyl-3-(5-phenyl-1<i>H</i>-pyrazol-3-yl)-1,3,4-thiadiazol-2(3<i>H</i>)-one monohydrate","","- C13 H12 N4 O3 S -","- C13 H12 N4 O3 S -","- C52 H48 N16 O12 S4 -","4","1","HB7073","Asiri, Abdullah M.; Arshad, Muhammad Nadeem; Obaid, Abdullah Y.; Mustafa, Ghulam","5-Acetyl-3-(5-phenyl-1<i>H</i>-pyrazol-3-yl)-1,3,4-thiadiazol-2(3<i>H</i>)-one monohydrate","Acta Crystallographica Section E","2013","69","5","o798","","10.1107/S1600536813010817","","","1.54184","CuKα","","0.0409","0.0363","","","0.0997","0.1057","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237863","9.6003","0.0005","11.6568","0.0006","18.1993","0.0009","90","","98.066","0.003","90","","2016.51","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>-Diethyl-2-hydroxyethanaminium 5-(2,4-dinitrophenyl)barbiturate sesquihydrate","<i>N</i>,<i>N</i>-Diethyl-2-hydroxyethanaminium 5-(2,4-dinitrophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-olate sesquihydrate","","- C16 H24 N5 O9.5 -","- C16 H23 N5 O9.5 -","- C64 H92 N20 O38 -","4","1","HB7074","Mangaiyarkarasi, Govindan; Kalaivani, Doraisamyraja","<i>N</i>,<i>N</i>-Diethyl-2-hydroxyethanaminium 5-(2,4-dinitrophenyl)barbiturate sesquihydrate","Acta Crystallographica Section E","2013","69","6","o863","o864","10.1107/S1600536813012257","","","0.71073","MoKα","","0.0685","0.0433","","","0.1079","0.1309","","","","","","1.092","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2237864","8.2548","0.0011","8.4781","0.0009","13.6714","0.0018","90","","99.064","0.006","90","","944.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Hydroxy-1,2,6-trimethylpyridinium chloride monohydrate","","- C8 H14 Cl N O2 -","- C8 H14 Cl N O2 -","- C32 H56 Cl4 N4 O8 -","4","1","HB7075","Seethalakshmi, T.; Manivannan, S.; Dhanuskodi, S.; Lynch, Daniel E.; Thamotharan, S.","4-Hydroxy-1,2,6-trimethylpyridinium chloride monohydrate","Acta Crystallographica Section E","2013","69","6","o835","o836","10.1107/S1600536813011616","","","0.71073","MoKα","","0.0883","0.0606","","","0.1521","0.1742","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237865","8.195","0.003","7.289","0.003","6.721","0.003","90","","90","","90","","401.5","0.3","100","2","100","2","","","","","","","","4","P m n 21","P 2ac -2","31","","4-Cyano-1-methylpyridinium nitrate","","- C7 H7 N3 O3 -","- C7 H7 N3 O3 -","- C14 H14 N6 O6 -","2","0.5","HB7076","McCormick, Cameron A.; Nguyen, Vu D.; Renfro, Heather E.; Koplitz, Lynn V.; Mague, Joel T.","4-Cyano-1-methylpyridinium nitrate","Acta Crystallographica Section E","2013","69","6","o981","o982","10.1107/S1600536813014025","","","0.71073","MoKα","","0.039","0.0384","","","0.0912","0.0918","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237866","17.44","0.0009","8.4734","0.0004","15.6069","0.0009","90","","119.626","0.002","90","","2004.82","0.19","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(<i>O</i>-Methyl dithiocarbonato-κ<i>S</i>)triphenyltin(IV)","","- C20 H18 O S2 Sn -","- C20 H18 O S2 Sn -","- C80 H72 O4 S8 Sn4 -","4","1","HB7077","Javed, Fatima; Ali, Saqib; Shah, Wajid; Tahir, M. Nawaz; Ullah, Hameed","(<i>O</i>-Methyl dithiocarbonato-κ<i>S</i>)triphenyltin(IV)","Acta Crystallographica Section E","2013","69","6","m316","","10.1107/S1600536813012300","","","0.71073","MoKα","","0.0237","0.0223","","","0.0541","0.055","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237867","8.159","0.0008","17.047","0.003","20.3974","0.0014","90","","90","","90","","2837","0.6","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Tris(ethylenediamine) cobalt II chloride","Tris(ethylenediamine)cobalt(II) dichloride'","","- C6 H24 Cl2 Co N6 -","- C6 H24 Cl2 Co N6 -","- C48 H192 Cl16 Co8 N48 -","8","1","HB7079","Cooke, Kristin; Olenev, Andrei V.; Kovnir, Kirill","Tris(ethylenediamine)cobalt(II) dichloride","Acta Crystallographica Section E","2013","69","6","m332","","10.1107/S1600536813013135","","","1.54178","CuKα","","0.0288","0.0243","","","0.0574","0.0594","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237868","8.0091","0.0001","11.7289","0.0002","11.8923","0.0002","79.008","0.001","80.628","0.001","83.936","0.001","1078.79","0.03","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-[(2,6-Diethylphenyl)carbamothioyl]-2,2-diphenylacetamide","","- C25 H26 N2 O S -","- C25 H26 N2 O S -","- C50 H52 N4 O2 S2 -","2","1","HB7080","Yusof, Mohd Sukeri Mohd; Razali, Nur Rafikah; Arshad, Suhana; Rahman, Azhar Abdul; Razak, Ibrahim Abdul","<i>N</i>-[(2,6-Diethylphenyl)carbamothioyl]-2,2-diphenylacetamide","Acta Crystallographica Section E","2013","69","6","o967","","10.1107/S1600536813013354","","","0.71073","MoKα","","0.0512","0.0384","","","0.0781","0.0871","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237869","7.232","0.0014","7.447","0.0015","16.78","0.003","99.78","0.03","93.35","0.03","98.58","0.03","877.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Diphenylphosphanyl-8-methyl-1,5-naphthyridine","","- C21 H17 N2 P -","- C21 H17 N2 P -","- C42 H34 N4 P2 -","2","1","HB7082","Chen, Chen; Wang, Kun-Yan; Liu, Jin-Fang; Wang, Dan-Feng; Zhu, Hong-Jun","4-Diphenylphosphanyl-8-methyl-1,5-naphthyridine","Acta Crystallographica Section E","2013","69","6","o928","","10.1107/S1600536813013196","","","0.71073","MoKα","","0.0803","0.0502","","","0.1327","0.1545","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237870","23.294","0.0013","11.2517","0.0007","19.7702","0.001","90","","112.659","0.003","90","","4781.8","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6a-Nitro-6-phenyl-6,6a,6b,7,8,9,10,12a-octahydrospiro[chromeno[3,4-<i>a</i>]indolizine-12,3'-indolin]-2'-one","","- C28 H25 N3 O4 -","- C28 H25 N3 O4 -","- C224 H200 N24 O32 -","8","1","HB7084","Devi, Seenivasan Karthiga; Srinivasan, Thothadri; Rao, Jonnalagadda Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","6a-Nitro-6-phenyl-6,6a,6b,7,8,9,10,12a-octahydrospiro[chromeno[3,4-<i>a</i>]indolizine-12,3'-indolin]-2'-one","Acta Crystallographica Section E","2013","69","6","o993","","10.1107/S1600536813014062","","","0.71073","MoKα","","0.0751","0.0456","","","0.1069","0.1273","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237871","14.7659","0.0004","7.6507","0.0003","18.2922","0.0005","90","","97.153","0.002","90","","2050.38","0.11","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-{4'-[(5-Benzyl-2<i>H</i>-tetrazol-2-yl)methyl]biphenyl-2-yl}-1<i>H</i>-tetrazole monohydrate","","- C22 H20 N8 O -","- C22 H20 N8 O -","- C88 H80 N32 O4 -","4","1","HG5301","Meti, Gangadhar Y.; Jeyaseelan, S.; Kamble, R. R.; Dorababu, Atakuri; Devarajegowda, H. C.","5-{4'-[(5-Benzyl-2<i>H</i>-tetrazol-2-yl)methyl]biphenyl-2-yl}-1<i>H</i>-tetrazole monohydrate","Acta Crystallographica Section E","2013","69","5","o743","o744","10.1107/S1600536813009963","","","0.71073","MoKα","","0.0546","0.0477","","0.1068","0.1048","0.1065","","","","","","1.0006","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237872","5.3262","0.0002","10.5083","0.0004","10.8096","0.0004","83.9","0.003","86.301","0.003","87.279","0.004","599.82","0.04","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","2-(2,4-Dichlorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","","- C11 H8 Cl2 N2 O S -","- C11 H8 Cl2 N2 O S -","- C22 H16 Cl4 N4 O2 S2 -","2","1","HG5302","Nayak, Prakash S.; Narayana, B.; Yathirajan, H. S.; Jasinski, Jerry P.; Butcher, Ray J.","2-(2,4-Dichlorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","Acta Crystallographica Section E","2013","69","5","o656","o657","10.1107/S1600536813008532","","","0.71073","MoKα","","0.0736","0.0461","","","0.0953","0.1118","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237873","14.0476","0.0008","17.1365","0.0009","13.823","0.0008","90","","115.893","0.001","90","","2993.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-(4-chlorobenzoyl)-1-(4-chlorobenzyl)-4-(4-chlorophenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]thiazine-1-carboxylate","","- C30 H28 Cl3 N O5 S -","- C30 H28 Cl3 N O5 S -","- C120 H112 Cl12 N4 O20 S4 -","4","1","HG5304","Chitradevi, A.; Athimoolam, S.; Bahadur, S. Asath; Indumathi, S.; Perumal, S.","Ethyl 3-(4-chlorobenzoyl)-1-(4-chlorobenzyl)-4-(4-chlorophenyl)-2,2-dioxo-3,4,6,7,8,8a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]thiazine-1-carboxylate","Acta Crystallographica Section E","2013","69","5","o706","o707","10.1107/S1600536813009148","","","0.71073","MoKα","","0.054","0.0482","","","0.1377","0.1443","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237874","10.4394","0.0012","13.091","0.0013","10.8871","0.0015","90","","118.008","0.016","90","","1313.6","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(Adamantan-1-yl)-<i>N</i>-methyl-1,3,4-thiadiazol-2-amine","","- C13 H19 N3 S -","- C13 H19 N3 S -","- C52 H76 N12 S4 -","4","1","HG5305","Al-Tamimi, Abdul-Malek S.; Alafeefy, Ahmed M.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.","5-(Adamantan-1-yl)-<i>N</i>-methyl-1,3,4-thiadiazol-2-amine","Acta Crystallographica Section E","2013","69","5","o683","","10.1107/S1600536813009033","","","0.71073","MoKα","","0.0905","0.0539","","","0.1176","0.144","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237875","13.576","0.003","16.964","0.003","11.025","0.002","90","","120.11","0.03","90","","2196.5","1","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Hydroxy-<i>N</i>-methylbenzamide","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C96 H108 N12 O24 -","12","3","HG5306","Jasinski, Jerry P.; St. John, Joel P.; Butcher, Ray J.; Narayana, B.; Yathirajan, H. S.; Sarojini, B. K.","4-Hydroxy-<i>N</i>-methylbenzamide","Acta Crystallographica Section E","2013","69","5","o738","","10.1107/S1600536813009781","","","0.71073","MoKα","","0.0623","0.0592","","","0.1863","0.1923","","","","","","1.103","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237876","28.81","0.0015","6.6052","0.0004","25.7717","0.0014","90","","90","","90","","4904.2","0.5","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-(Adamantan-1-yl)-4-methyl-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","","- C25 H32 F3 N5 S -","- C25 H32 F3 N5 S -","- C200 H256 F24 N40 S8 -","8","2","HG5307","El-Emam, Ali A.; Al-Tamimi, Abdul-Malek S.; Alrashood, Khalid A.; Ng, Seik Weng; Tiekink, Edward R. T.","3-(Adamantan-1-yl)-4-methyl-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","Acta Crystallographica Section E","2013","69","5","o695","o696","10.1107/S1600536813009495","","","0.71073","MoKα","","0.0839","0.0577","","","0.1321","0.1513","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237877","13.422","0.002","6.167","0.0007","16.596","0.002","90","","111.972","0.015","90","","1273.9","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Benzyl-3-(thiophen-2-yl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","","- C13 H11 N3 S2 -","- C13 H11 N3 S2 -","- C52 H44 N12 S8 -","4","1","HG5308","Al-Shehri, Mona M.; El-Emam, Ali A.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T.","4-Benzyl-3-(thiophen-2-yl)-4,5-dihydro-1<i>H</i>-1,2,4-triazole-5-thione","Acta Crystallographica Section E","2013","69","5","o697","","10.1107/S1600536813009501","","","0.71073","MoKα","","0.072","0.0446","","","0.0944","0.1086","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237878","6.5308","0.0002","8.2253","0.0002","25.686","0.0008","90","","103.191","0.0009","90","","1343.39","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Formyl-2-nitrophenyl 4-bromobenzoate","","- C14 H8 Br N O5 -","- C14 H8 Br N O5 -","- C56 H32 Br4 N4 O20 -","4","1","HG5309","Moreno-Fuquen, Rodolfo; Hernandez, Geraldine; Ellena, Javier; De Simone, Carlos A.; Tenorio, Juan C.","4-Formyl-2-nitrophenyl 4-bromobenzoate","Acta Crystallographica Section E","2013","69","5","o793","","10.1107/S1600536813010830","","","0.71073","MoKα","","0.055","0.0408","","","0.1037","0.1133","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237879","9.0164","0.0003","18.6017","0.0005","9.8574","0.0003","90","","111.653","0.003","90","","1536.62","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-Chloro-6-(2,3-dichlorobenzenesulfonamido)benzoic acid","","- C13 H8 Cl3 N O4 S -","- C13 H8 Cl3 N O4 S -","- C52 H32 Cl12 N4 O16 S4 -","4","1","HG5312","Munir, Ayesha; Mubashar-ur-Rehman, Hafiz; Asiri, Abdullah M.; Khan, Islam Ullah; Arshad, Muhammad Nadeem","2-Chloro-6-(2,3-dichlorobenzenesulfonamido)benzoic acid","Acta Crystallographica Section E","2013","69","6","o832","","10.1107/S1600536813011574","","","1.54184","CuKα","","0.0456","0.0382","","","0.0973","0.1035","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237880","4.9136","0.0003","6.0218","0.0004","42.514","0.002","90","","90","","90","","1257.93","0.13","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-(4-Bromophenyl)-<i>N</i>-(3,4-difluorophenyl)acetamide","","- C14 H10 Br F2 N O -","- C14 H10 Br F2 N O -","- C56 H40 Br4 F8 N4 O4 -","4","1","HG5313","Praveen, A.S.; Yathirajan, H. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Narayana, B.; Sarojini, B. K.","2-(4-Bromophenyl)-<i>N</i>-(3,4-difluorophenyl)acetamide","Acta Crystallographica Section E","2013","69","6","o900","o901","10.1107/S1600536813012865","","","1.54184","CuKα","","0.0416","0.0408","","","0.1052","0.1056","","","","","","1.154","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237881","11.0633","0.0004","9.656","0.0004","14.0251","0.0006","90","","94.009","0.002","90","","1494.6","0.1","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4,6-trinitrophenyl 3-chlorobenzoate","2,4,6-Trinitrophenyl 3-chlorobenzoate","","- C13 H6 Cl N3 O8 -","- C13 H6 Cl N3 O8 -","- C52 H24 Cl4 N12 O32 -","4","1","HG5316","Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Ellena, Javier; De Simone, C. A.; Tenorio, Juan C.","2,4,6-Trinitrophenyl 3-chlorobenzoate","Acta Crystallographica Section E","2013","69","6","o966","","10.1107/S1600536813013792","","","0.71073","MoKα","","0.096","0.0511","","","0.1337","0.1616","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237882","10.2655","0.0003","11.3341","0.0004","18.8111","0.0006","90","","90.874","0.003","90","","2188.42","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Rupatidine","8-Chloro-11-{1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene}-6,11-dihydro-5<i>H</i>-benzo[5,6]cyclohepta[1,2-<i>b</i>]pyridine","","- C26 H26 Cl N3 -","- C26 H26 Cl N3 -","- C104 H104 Cl4 N12 -","4","1","HG5317","Kaur, Manpreet; Jasinski, Jerry P.; Luopa, Zane A.; Kumar, Neeraj; Patel, Nilesh G.; Gudaparthi, Omprakash; Yathirajan, H. S.","Rupatadine","Acta Crystallographica Section E","2013","69","6","o980","","10.1107/S1600536813014256","","","1.5418","CuKα","","0.0498","0.0412","","","0.114","0.1218","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237883","8.491","0.0017","9.141","0.0018","9.258","0.0019","91.55","0.03","96.03","0.03","110.68","0.03","667","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,2',2''-nitrilotriacetamide-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobalt(II) dinitrate tetrahydrate","","- C12 H32 Co N10 O16 -","- C12 H32 Co N10 O16 -","- C12 H32 Co N10 O16 -","1","0.5","HY2611","Ran, Jing-Wen; Pei, Jun","Bis(2,2',2''-nitrilotriacetamide-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')cobalt(II) dinitrate tetrahydrate","Acta Crystallographica Section E","2013","69","6","m325","","10.1107/S1600536813012968","","","0.71073","MoKα","","0.0297","0.0282","","","0.0782","0.0798","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237884","16.993","0.005","16.218","0.005","7.754","0.002","90","","113.427","0.003","90","","1960.8","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(3,3'-{(1<i>E</i>,1'<i>E</i>)-1,1'-[Ethane-1,2-diylbis(azan-1-yl-1-ylidene-κ<i>N</i>)]bis(ethan-1-yl-1-ylidene)}dipyrazine 1-oxide-κ<i>N</i>^4^)bis(nitrato-κ<i>O</i>)nickel(II) monohydrate","","- C14 H18 N8 Ni O9 -","- C14 H18 N8 Ni O9 -","- C56 H72 N32 Ni4 O36 -","4","0.5","HY2621","Omer, Mohammed A. S.; Liu, Jia-Cheng","(3,3'-{(1<i>E</i>,1'<i>E</i>)-1,1'-[Ethane-1,2-diylbis(azan-1-yl-1-ylidene-κ<i>N</i>)]bis(ethan-1-yl-1-ylidene)}dipyrazine 1-oxide-κ<i>N</i>^4^)bis(nitrato-κ<i>O</i>)nickel(II) monohydrate","Acta Crystallographica Section E","2013","69","5","m263","m264","10.1107/S1600536813009355","","","0.71073","MoKα","","0.0448","0.0324","","","0.0658","0.0701","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237885","8.1766","0.0002","11.9362","0.0003","12.7519","0.0003","102.982","0.001","97.799","0.001","97.684","0.001","1184.02","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Pyridinium bis(pyridine-κ<i>N</i>)tetrakis(thiocyanato-κ<i>N</i>)ferrate(III)‒pyrazine-2-carbonitrile‒pyridine (1/4/1)","","- C44 H33 Fe N20 S4 -","- C44 H33 Fe N20 S4 -","- C44 H33 Fe N20 S4 -","1","0.5","HY2622","Shylin, Sergii I.; Gural'skiy, Il'ya A.; Haukka, Matti; Golenya, Irina A.","Pyridinium bis(pyridine-κ<i>N</i>)tetrakis(thiocyanato-κ<i>N</i>)ferrate(III)‒pyrazine-2-carbonitrile‒pyridine (1/4/1)","Acta Crystallographica Section E","2013","69","5","m280","","10.1107/S1600536813010362","","","0.71073","MoKα","","0.0435","0.0307","","","0.0712","0.0762","","","","","","1.013","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237886","7.5912","0.0002","8.0973","0.0003","10.6706","0.0003","103.493","0.003","98.589","0.003","92.24","0.003","628.78","0.04","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","Poly[tetraaqua(5-hydroxypyridin-1-ium-3-carboxylato-κ<i>O</i>^3^)tris(μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)dieuropium(III)]","","- C18 H18 Eu2 N2 O22 -","- C18 H18 Eu2 N2 O22 -","- C18 H18 Eu2 N2 O22 -","1","0.5","HY2623","Xu, Shan-Shan; Mi, Jun-Long; Chen, Hong-Ji","Poly[tetraaqua(5-hydroxypyridin-1-ium-3-carboxylato-κ<i>O</i>^3^)tris(μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)dieuropium(III)]","Acta Crystallographica Section E","2013","69","5","m294","m295","10.1107/S1600536813011057","","","0.71073","MoKα","","0.0209","0.0183","","","0.0366","0.0378","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237887","7.7598","0.001","12.3811","0.0015","12.6572","0.0016","77.676","0.002","72.791","0.002","84.122","0.002","1133.8","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","1,1'-(Ethane-1,2-diyl)dipyridinium bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(II)","","- C20 H14 Cu N6 S4 -","- C20 H14 Cu N6 S4 -","- C40 H28 Cu2 N12 S8 -","2","1","HY2624","Hu, Bing-Xiang; Zhou, Chang-Xiao; Liu, Yang-Mei; Chen, Li-Zhuang; Wang, Fang-Ming","1,1'-(Ethane-1,2-diyl)dipyridinium bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(II)","Acta Crystallographica Section E","2013","69","6","m312","","10.1107/S1600536813012439","","","0.71073","MoKα","","0.0434","0.0358","","","0.0808","0.0832","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237888","15.1133","0.0013","13.9144","0.0012","13.3121","0.0012","90","","99.275","0.002","90","","2762.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(acetonitrile-κ<i>N</i>)dichlorido(triphenylphosphane-κ<i>P</i>)ruthenium(II) acetonitrile monosolvate","","- C26 H27 Cl2 N4 P Ru -","- C26 H27 Cl2 N4 P Ru -","- C104 H108 Cl8 N16 P4 Ru4 -","4","1","HY2625","Yin, Xiao-Feng; Qin, Yi; Shi, Hua-Tian; Chen, Qun; Zhang, Qian-Feng","Tris(acetonitrile-κ<i>N</i>)dichlorido(triphenylphosphane-κ<i>P</i>)ruthenium(II) acetonitrile monosolvate","Acta Crystallographica Section E","2013","69","6","m340","","10.1107/S1600536813014128","","","0.71073","MoKα","","0.0343","0.0251","","","0.058","0.0631","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237889","8.9676","0.0008","10.5073","0.0009","19.1085","0.0017","81.281","0.002","88.678","0.002","82.175","0.002","1763.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Tris(diisopropyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')ruthenium(III)","","- C18 H42 O6 P3 Ru S6 -","- C18 H42 O6 P3 Ru S6 -","- C36 H84 O12 P6 Ru2 S12 -","2","1","HY2626","Chao, Guo-Ping; Wu, Xiuli; Shi, Hua-Tian; Chen, Qun; Zhang, Qian-Feng","Tris(diisopropyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')ruthenium(III)","Acta Crystallographica Section E","2013","69","6","m341","","10.1107/S1600536813014141","","","0.71073","MoKα","","0.045","0.0318","","","0.0752","0.0828","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237890","8.7791","0.0002","9.7807","0.0002","20.2209","0.0004","90","","96.792","0.002","90","","1724.1","0.06","290","2","290","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-1-[2-Hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","IM2424","Niu, Chao; Liu, Y. Q.; He, Y. W.; Aisa, H. A.","(<i>E</i>)-1-[2-Hydroxy-4,6-bis(methoxymethoxy)phenyl]-3-phenylprop-2-en-1-one","Acta Crystallographica Section E","2013","69","5","o715","","10.1107/S1600536813009380","","","1.54184","CuKα","","0.0618","0.0552","","","0.1505","0.1606","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","176432","2020-10-21","18:00:00",""
"2237891","25.005","0.006","5.5023","0.0014","14.79","0.004","90","","90","","90","","2034.9","0.9","291","2","291","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2-(4-Methylphenyl)-3-oxo-4-phenyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-benzo[<i>f</i>]isoindole-6-carbonitrile","","- C26 H22 N2 O -","- C26 H22 N2 O -","- C104 H88 N8 O4 -","4","1","IM2425","Wen, Lei; Hu, Yimin","2-(4-Methylphenyl)-3-oxo-4-phenyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-benzo[<i>f</i>]isoindole-6-carbonitrile","Acta Crystallographica Section E","2013","69","5","o652","","10.1107/S1600536813008568","","","0.71073","MoKα","","0.1261","0.0519","","","0.0806","0.0952","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237892","17.233","0.003","22.001","0.004","28.26","0.005","90","","92.49","0.02","90","","10704","3","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Tetraphenylphosphonium iodide‒1,3,5-trifluoro-2,4,6-triiodobenzene‒methanol (3/4/1)","","- C97 H64 F12 I15 O P3 -","- C97 H64 F12 I15 O P3 -","- C388 H256 F48 I60 O4 P12 -","4","2","IM2426","Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Tetraphenylphosphonium iodide‒1,3,5-trifluoro-2,4,6-triiodobenzene‒methanol (3/4/1)","Acta Crystallographica Section E","2013","69","6","o865","o866","10.1107/S1600536813012397","","","0.71073","MoKα","","0.0455","0.0399","","","0.0787","0.0807","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237893","8.299","0.002","11.785","0.003","9.769","0.003","90","","106.204","0.004","90","","917.5","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[tri-μ-aqua-diaqua-μ-phosphonoformato-cobalt(II)sodium]","","- C H10 Co Na O10 P -","- C H10 Co Na O10 P -","- C4 H40 Co4 Na4 O40 P4 -","4","1","IM2427","Luo, Xu-Jian; Zhang, Xiu-Qing","Poly[tri-μ-aqua-diaqua-μ-phosphonoformato-cobalt(II)sodium]","Acta Crystallographica Section E","2013","69","6","i35","","10.1107/S1600536813012853","","","0.71075","MoKα","","0.0405","0.0352","","","0.0637","0.0661","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237894","6.0602","0.0014","11.61","0.003","13.892","0.004","90","","101.838","0.008","90","","956.6","0.4","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(Pyridin-4-yl)-1<i>H</i>-benzimidazole","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","IM2430","Geiger, David K.; Bond, Christopher J.","2-(Pyridin-4-yl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2013","69","6","o869","","10.1107/S160053681301252X","","","0.71073","MoKα","","0.0814","0.0462","","","0.1045","0.1283","","","","","","0.959","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237895","12.367","0.007","12.558","0.006","13.626","0.007","89.802","0.017","87.964","0.013","86.312","0.018","2110.5","1.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","Tetraphenylphosphonium [μ~3~-(4-methylphenyl)tellurolato]tris[tetracarbonyliron(0)]","","- C43 H27 Fe3 O12 P Te -","- C43 H27 Fe3 O12 P Te -","- C86 H54 Fe6 O24 P2 Te2 -","2","1","IM2431","Li, Yu-Long; Xie, Bin; Zou, Li-Ke","Tetraphenylphosphonium [μ~3~-(4-methylphenyl)tellurolato]tris[tetracarbonyliron(0)]","Acta Crystallographica Section E","2013","69","6","m328","","10.1107/S1600536813013056","","","0.71073","MoKα","","0.0517","0.0379","","","0.0632","0.0676","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237896","16.6972","0.0005","4.5602","0.0001","21.25","0.0005","90","","96.352","0.002","90","","1608.1","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-Bis(prop-2-yn-1-yl)-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","","- C21 H12 N2 O3 -","- C21 H12 N2 O3 -","- C84 H48 N8 O12 -","4","1","IM2432","Afrakssou, Zahra; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; Rolando, Christian; El Ammari, Lahcen","1,3-Bis(prop-2-yn-1-yl)-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","Acta Crystallographica Section E","2013","69","6","o944","","10.1107/S1600536813013688","","","0.71073","MoKα","","0.066","0.0439","","","0.1125","0.1289","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237897","8.093","0.0002","12.1191","0.0003","12.2743","0.0002","87.109","0.001","73.612","0.001","72.283","0.001","1099.35","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-(Prop-2-en-1-yl)-3-{[3-(pyridin-4-yl)-4,5-dihydroisoxazol-5-yl]methyl}-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","","- C27 H20 N4 O4 -","- C27 H20 N4 O4 -","- C54 H40 N8 O8 -","2","1","IM2433","Afrakssou, Zahra; Kandri Rodia, Youssef; Capet, Frédéric; Essassi, El Mokhtar; Rolando, Christian; El Ammari, Lahcen","1-(Prop-2-en-1-yl)-3-{[3-(pyridin-4-yl)-4,5-dihydroisoxazol-5-yl]methyl}-1<i>H</i>-anthra[1,2-<i>d</i>]imidazole-2,6,11(3<i>H</i>)-trione","Acta Crystallographica Section E","2013","69","6","o945","o946","10.1107/S160053681301369X","","","0.71073","MoKα","","0.075","0.0475","","","0.1276","0.148","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237898","7.611","0.0002","10.7375","0.0003","29.499","0.0007","90","","90","","90","","2410.75","0.11","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3-Dimethoxy-10-oxostrychnidinium hydrogen oxalate dihydrate","","- C25 H32 N2 O10 -","- C25 H32 N2 O10 -","- C100 H128 N8 O40 -","4","1","IS5247","Krishnan, P.; Gayathri, K.; Sivakumar, N.; Chakkaravarthi, G.; Anbalagan, G.","2,3-Dimethoxy-10-oxostrychnidinium hydrogen oxalate dihydrate","Acta Crystallographica Section E","2013","69","5","o659","","10.1107/S1600536813008623","","","0.71073","MoKα","","0.0463","0.0423","","","0.1129","0.1163","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237899","12.0593","0.0007","8.3684","0.0004","12.8611","0.0006","90","","113.021","0.006","90","","1194.54","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Chloro-5-fluoro-6-methyl-<i>N</i>-<i>o</i>-tolylpyrimidin-4-amine","","- C12 H11 Cl F N3 -","- C12 H11 Cl F N3 -","- C48 H44 Cl4 F4 N12 -","4","1","IS5256","Jiang, Yufei; Wu, Kong; Cui, Dongmei; Zhou, Wei","2-Chloro-5-fluoro-6-methyl-<i>N</i>-<i>o</i>-tolylpyrimidin-4-amine","Acta Crystallographica Section E","2013","69","5","o626","","10.1107/S160053681300812X","","","0.71073","MoKα","","0.0439","0.0342","","","0.0899","0.0958","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237900","5.391","0.005","11.742","0.01","19.975","0.016","90","","90","","90","","1264.4","1.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-{2-[(2<i>R</i>)-2-Amino-4-methylpentanamido]acetamido}acetic acid","<i>L</i>-Leucylglycylglycine","","- C10 H19 N3 O4 -","- C10 H19 N3 O4 -","- C40 H76 N12 O16 -","4","1","IS5257","Ootaki, Masanori; Nawa, Yukino; Hiroi, Tomoko; Matsui, Hiroaki; Sugawara, Yoko","<small>L</small>-Leucylglycylglycine","Acta Crystallographica Section E","2013","69","5","o660","","10.1107/S1600536813008490","","","0.7107","MoKα","","0.0528","0.0381","","","0.0781","0.0866","","","","","","0.961","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237901","7.7463","0.0001","9.3776","0.0001","10.4449","0.0002","79.689","0.001","87.168","0.001","87.461","0.001","745.085","0.019","100","1","100","0.1","","","","","","","","5","P -1","-P 1","2","3-(<i>p</i>-Tolyl)-sydnone-4-thiosemicarbazone 1,4-dioxane hemisolvate","3-(4-Methylphenyl)-4-[(thiosemicarbazono)methyl]-1,2,3-oxadiazol-3-ium-5-olate 1,4-dioxane hemisolvate","","- C13 H15 N5 O3 S -","- C13 H15 N5 O3 S -","- C26 H30 N10 O6 S2 -","2","1","IS5258","Abdul Rahiman, M.; Ravikumar, G. N.; Loh, Wan-Sin; Razak, Ibrahim Abdul","3-(4-Methylphenyl)-4-[(thiosemicarbazono)methyl]-1,2,3-oxadiazol-3-ium-5-olate 1,4-dioxane hemisolvate","Acta Crystallographica Section E","2013","69","5","o727","","10.1107/S1600536813008805","","","0.71073","MoKα","","0.0416","0.0349","","","0.0853","0.0903","","","","","","1.081","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237902","9.4804","0.0004","9.6401","0.0004","10.7013","0.0005","81.308","0.002","67.801","0.002","69.085","0.002","845.71","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","<i>rac</i>-Methyl 3-(2-methoxyphenyl)-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","","- C19 H17 N O5 -","- C19 H17 N O5 -","- C38 H34 N2 O10 -","2","1","IS5259","Paramasivam, S.; Srinivasan, J.; Seshadri, P. R.; Bakthadoss, M.","<i>rac</i>-Methyl 3-(2-methoxyphenyl)-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carboxylate","Acta Crystallographica Section E","2013","69","5","o664","","10.1107/S1600536813008635","","","0.71073","MoKα","","0.0457","0.04","","","0.1063","0.1123","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237903","12.2879","0.0012","9.6422","0.0011","10.3642","0.0012","90","","90","","90","","1228","0.2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-[(2-Chloroquinolin-3-yl)(hydroxy)methyl]acrylonitrile","","- C13 H9 Cl N2 O -","- C13 H9 Cl N2 O -","- C52 H36 Cl4 N8 O4 -","4","1","IS5260","Anuradha, T.; Srinivasan, J.; Seshadri, P. R.; Bakthadoss, M.","2-[(2-Chloroquinolin-3-yl)(hydroxy)methyl]acrylonitrile","Acta Crystallographica Section E","2013","69","5","o779","","10.1107/S1600536813010155","","","0.71073","MoKα","","0.039","0.0335","","","0.0862","0.09","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237904","9.7233","0.0006","13.1987","0.0007","13.3217","0.0008","93.51","0.004","108.858","0.005","93.494","0.004","1608.93","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[Diaquasesqui(nitrato-κ<i>O</i>)hemi(perchlorato-κ<i>O</i>)copper(II)]-μ-{bis[5-methyl-3-(pyridin-2-yl)-1<i>H</i>-pyrazol-4-yl] selenide}-[triaqua(perchlorato-κ<i>O</i>)copper(II)] nitrate monohydrate","","- C18 H28 Cl1.5 Cu2 N8.5 O19.5 Se -","- C18 H28 Cl1.5 Cu2 N8.5 O19.5 Se -","- C36 H56 Cl3 Cu4 N17 O39 Se2 -","2","1","IS5261","Seredyuk, Maksym; Pavlenko, Vadim A.; Znovjyak, Kateryna O.; Gumienna-Kontecka, Elzbieta; Iskenderov, Turganbay S.","[Diaquasesqui(nitrato-κ<i>O</i>)hemi(perchlorato-κ<i>O</i>)copper(II)]-μ-{bis[5-methyl-3-(pyridin-2-yl)-1<i>H</i>-pyrazol-4-yl] selenide}-[triaqua(perchlorato-κ<i>O</i>)copper(II)] nitrate monohydrate","Acta Crystallographica Section E","2013","69","6","m314","m315","10.1107/S1600536813012178","","","0.71073","MoKα","","0.053","0.0413","","","0.1062","0.1129","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237905","12.5728","0.0006","19.5997","0.0007","22.9708","0.0008","90","","107.041","0.0012","90","","5412","0.4","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(μ~4~-azepane-1-carbodithioato)bis(μ~3~-azepane-1-carbodithioato)-μ~9~-bromido-tetra-μ~2~-bromido-octacopper(I)copper(II)","","- C35 H60 Br5 Cu9 N5 S10 -","- C35 H60 Br5 Cu9 N5 S10 -","- C140 H240 Br20 Cu36 N20 S40 -","4","1","IS5263","Okubo, Takashi; Anma, Haruho; Maekawa, Masahiko; Kuroda-Sowa, Takayoshi","Tris(μ~4~-azepane-1-carbodithioato)bis(μ~3~-azepane-1-carbodithioato)-μ~9~-bromido-tetra-μ~2~-bromido-octacopper(I)copper(II)","Acta Crystallographica Section E","2013","69","5","m275","m276","10.1107/S1600536813009938","","","0.71075","MoKα","","","0.0499","","","","0.1215","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237906","12.4517","0.0003","13.268","0.0004","15.1666","0.0011","113.527","0.008","98.425","0.007","108.557","0.008","2067.3","0.3","200","2","200","2","","","","","","","","6","P 1","P 1","1","","<i>cyclo</i>-Tetrakis(μ~2~-<i>D</i>-penicillaminato-κ^4^<i>N</i>,<i>S</i>:<i>O</i>,<i>S</i>)tetrapalladium(II) 9.75-hydrate","","- C20 H55.5 N4 O17.75 Pd4 S4 -","- C20 H55.5 N4 O17.75 Pd4 S4 -","- C40 H111 N8 O35.5 Pd8 S8 -","2","2","IS5266","Yokoi, Anzu; Yoshinari, Nobuto; Konno, Takumi","<i>cyclo</i>-Tetrakis(μ~2~-<small>D</small>-penicillaminato-κ^4^<i>N</i>,<i>S</i>:<i>O</i>,<i>S</i>)tetrapalladium(II) 9.75-hydrate","Acta Crystallographica Section E","2013","69","5","m288","m289","10.1107/S160053681301088X","","","0.71075","MoKα","","0.0259","0.025","","","0.0614","0.0621","","","","","","1.079","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237907","7.3481","0.0003","10.2285","0.0004","11.0625","0.0004","114.134","0.002","91.056","0.002","106.624","0.002","718.3","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2,5-Dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C17 H16 O3 S -","- C17 H16 O3 S -","- C34 H32 O6 S2 -","2","1","IS5267","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2,5-Dimethyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2013","69","5","o817","","10.1107/S1600536813011392","","","0.71073","MoKα","","0.0497","0.0411","","","0.1023","0.1082","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237908","6.8142","0.0012","8.1942","0.0014","16.832","0.003","90","","100.081","0.004","90","","925.3","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Methyl-3-(2-oxo-2<i>H</i>-chromen-3-yl)-1<i>H</i>-imidazol-3-ium picrate","","- C19 H13 N5 O9 -","- C19 H13 N5 O9 -","- C38 H26 N10 O18 -","2","1","IS5268","Tuyen, Nguyen Van; Anh, Le Tuan; Festa, Alexey A.; Voskressensky, Leonid G.; Khrustalev, Victor N.","1-Methyl-3-(2-oxo-2<i>H</i>-chromen-3-yl)-1<i>H</i>-imidazol-3-ium picrate","Acta Crystallographica Section E","2013","69","6","o839","","10.1107/S1600536813011690","","","0.71073","MoKα","","0.0754","0.0627","","","0.159","0.1647","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237909","8.7196","0.0001","10.4133","0.0002","11.3658","0.0002","79.312","0.001","74.393","0.001","89.781","0.001","975.56","0.03","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-[4-(dimethylamino)phenyl]-1-phenyl-1<i>H</i>-benzimidazole-5-carboxylate","","- C24 H23 N3 O2 -","- C24 H23 N3 O2 -","- C48 H46 N6 O4 -","2","1","IS5269","Yeong, Keng Yoon; Ali, Mohamed Ashraf; Choon, Tan Soo; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul","Ethyl 2-[4-(dimethylamino)phenyl]-1-phenyl-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2013","69","6","o886","","10.1107/S1600536813012440","","","0.71073","MoKα","","0.0644","0.0495","","","0.116","0.1251","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237910","8.9018","0.0004","25.6357","0.0008","11.0961","0.0004","90","","113.369","0.001","90","","2324.46","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.0^2,7^]undeca-2,4,6,9-tetraene-9,10-dicarboxylate","","- C28 H24 O5 -","- C28 H24 O5 -","- C112 H96 O20 -","4","1","IS5270","Balakrishnan, B.; Nandakumar, Meganathan; Seshadri, P. R.; Mohanakrishnan, Arasambattu K.","Dimethyl 1,8-bis(4-methylphenyl)-11-oxatricyclo[6.2.1.0^2,7^]undeca-2,4,6,9-tetraene-9,10-dicarboxylate","Acta Crystallographica Section E","2013","69","6","o951","","10.1107/S1600536813013305","","","0.71073","MoKα","","0.093","0.0552","","","0.1457","0.1697","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237911","7.4324","0.0005","10.9717","0.0003","11.2267","0.0003","117.202","0.001","101.645","0.002","94.032","0.002","783.47","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine‒benzoic acid (1/1)","","- C17 H17 N5 O2 -","- C17 H17 N5 O2 -","- C34 H34 N10 O4 -","2","1","IS5271","Thanigaimani, Kaliyaperumal; Khalib, Nuridayanti Che; Razak, Ibrahim Abdul; Lavanya, Palanisamy; Balasubramani, Kasthuri","6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine‒benzoic acid (1/1)","Acta Crystallographica Section E","2013","69","6","o968","o969","10.1107/S1600536813013883","","","0.71073","MoKα","","0.076","0.0615","","","0.1502","0.1567","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237912","11.1271","0.0003","20.9492","0.0006","7.4189","0.0002","90","","101.321","0.002","90","","1695.73","0.08","100","1","100","1","","","","","","","","4","C 1 c 1","C -2yc","9","","6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine‒4-methylbenzoic acid (1/1)","","- C18 H19 N5 O2 -","- C18 H19 N5 O2 -","- C72 H76 N20 O8 -","4","1","IS5272","Thanigaimani, Kaliyaperumal; Arshad, Suhana; Razak, Ibrahim Abdul; Makeshvaran, Duraisamy; Balasubramani, Kasthuri","6-(4-Methylphenyl)-1,3,5-triazine-2,4-diamine‒4-methylbenzoic acid (1/1)","Acta Crystallographica Section E","2013","69","6","o970","","10.1107/S1600536813013895","","","0.71073","MoKα","","0.0584","0.0553","","","0.1332","0.1345","","","","","","1.187","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237913","5.8317","0.0005","9.2114","0.0008","16.8967","0.0016","90","","95.855","0.003","90","","902.92","0.14","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Isopropyl-5-methyl-2-sulfanylideneimidazolidin-4-one","","- C7 H12 N2 O S -","- C7 H12 N2 O S -","- C28 H48 N8 O4 S4 -","4","1","IS5273","Ichitani, Masaki; Kitoh, Soh-ichi; Fujinami, Shuhei; Suda, Mitsuhiro; Honda, Mitsunori; Kunimoto, Ko-Ki","5-Isopropyl-5-methyl-2-sulfanylideneimidazolidin-4-one","Acta Crystallographica Section E","2013","69","6","o953","","10.1107/S1600536813013639","","","0.7107","MoKα","","","0.0498","","","","0.1255","","","","","","1.141","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237914","4.8822","0.0002","23.4752","0.0009","22.4311","0.0009","90","","91.494","0.002","90","","2569.97","0.18","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[3-(2-Benzyloxy-6-hydroxy-4-methylphenyl)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]propane-1-one","","- C28 H24 F6 N2 O3 -","- C28 H24 F6 N2 O3 -","- C112 H96 F24 N8 O12 -","4","1","JJ2162","Patel, U. H.; Gandhi, S. A.; Barot, V. M.; Varma, N. V. S.","1-[3-(2-Benzyloxy-6-hydroxy-4-methylphenyl)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]propane-1-one","Acta Crystallographica Section E","2013","69","6","o840","","10.1107/S160053681301180X","","","0.71073","MoKα","","0.1123","0.07","","","0.2097","0.246","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237915","11.3119","0.0004","11.3119","0.0004","13.6384","0.0009","90","","90","","90","","1745.16","0.14","293","2","293","2","","","","","","","","4","P 42/m b c","-P 4c 2ab","135","","Dibarium tetraantimony(III) germanium(IV) decasulfide","","- Ba2 Ge S10 Sb4 -","- Ba2 Ge S10 Sb4 -","- Ba8 Ge4 S40 Sb16 -","4","0.25","JJ2163","Geng, Lei","Ba~2~Sb~4~GeS~10~","Acta Crystallographica Section E","2013","69","5","i24","","10.1107/S1600536813007988","","","0.71073","MoKα","","0.0183","0.0177","","","0.0415","0.0418","","","","","","1.145","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237916","8.2175","0.0003","16.3257","0.0008","22.6793","0.001","90","","90","","90","","3042.6","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Thiocyanato-κ<i>S</i>)tris(thiourea-κ<i>S</i>)mercury(II) chloride","","- C4 H12 Cl Hg N7 S4 -","- C4 H12 Cl Hg N7 S4 -","- C32 H96 Cl8 Hg8 N56 S32 -","8","1","JJ2165","Shihabuddeen Syed, A.; Rajarajan, K.; NizamMohideen, M.","(Thiocyanato-κ<i>S</i>)tris(thiourea-κ<i>S</i>)mercury(II) chloride","Acta Crystallographica Section E","2013","69","6","i33","","10.1107/S1600536813011847","","","0.71073","MoKα","","0.0663","0.0355","","","0.0705","0.0816","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237917","9.37786","0.00013","12.8653","0.00017","14.2891","0.0002","90","","107.916","0.0016","90","","1640.36","0.04","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Dichloridobis{2-chloro-6-[(3-fluorobenzyl)amino]-9-isopropyl-9<i>H</i>-purine-κ<i>N</i>^7^}platinum(II)","","- C30 H30 Cl4 F2 N10 Pt -","- C30 H30 Cl4 F2 N10 Pt -","- C60 H60 Cl8 F4 N20 Pt2 -","2","0.5","JJ2166","Trávníček, Zdeněk; Štarha, Pavel","<i>trans</i>-Dichloridobis{2-chloro-6-[(3-fluorobenzyl)amino]-9-isopropyl-9<i>H</i>-purine-κ<i>N</i>^7^}platinum(II)","Acta Crystallographica Section E","2013","69","6","m331","","10.1107/S1600536813013202","","","0.71073","MoKα","","0.0158","0.0145","","","0.0365","0.037","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237918","7.9106","0.001","8.3598","0.001","12.6906","0.0015","82.813","0.007","83.979","0.007","67.741","0.006","769.09","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","9-(2-Chlorobenzylidene)anthracen-10(9<i>H</i>)-one","","- C21 H13 Cl O -","- C21 H13 Cl O -","- C42 H26 Cl2 O2 -","2","1","KJ2220","Almansour, Abdulrahman I.; Arumugam, Natarajan; Kumar, Raju Suresh; Vijayalakshmi, P.; Suresh, J.","9-(2-Chlorobenzylidene)anthracen-10(9<i>H</i>)-one","Acta Crystallographica Section E","2013","69","5","o627","","10.1107/S160053681300809X","","","0.71073","MoKα","","0.0517","0.045","","","0.1226","0.1295","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237919","7.05","0.003","7.442","0.003","10.334","0.004","85.166","0.006","86.22","0.006","64.682","0.004","488.1","0.3","105.15","","105.15","","","","","","","","","5","P 1","P 1","1","(2<i>S</i>)-<i>N</i>-(Selenoacetyl)proline methyl ester","Methyl (2<i>S</i>)-1-ethaneselenoylpyrrolidine-2-carboxylate","","- C8 H13 N O2 Se -","- C8 H13 N O2 Se -","- C16 H26 N2 O4 Se2 -","2","2","KJ2221","Guzei, Ilia A.; Choudhary, Amit; Raines, Ronald T.","Pyramidalization of a carbonyl C atom in (2<i>S</i>)-<i>N</i>-(selenoacetyl)proline methyl ester","Acta Crystallographica Section E","2013","69","5","o805","o806","10.1107/S1600536813011112","","","0.71073","MoKα","","0.0516","0.0505","","","0.1336","0.1349","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237920","9.2575","0.0005","12.1707","0.0007","12.1991","0.0007","112.786","0.006","100.997","0.005","106.363","0.005","1143.89","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-[3-(Pyridin-1-ium-2-yl)-1<i>H</i>-pyrazol-1-yl]-6-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-yl]pyridinium sulfate methanol monosolvate","","- C22 H21 N7 O5 S -","- C22 H21 N7 O5 S -","- C44 H42 N14 O10 S2 -","2","1","KJ2223","Huang, Linxia; Shu, Mouhai","2-[3-(Pyridin-1-ium-2-yl)-1<i>H</i>-pyrazol-1-yl]-6-[3-(pyridin-2-yl)-1<i>H</i>-pyrazol-1-yl]pyridinium sulfate methanol monosolvate","Acta Crystallographica Section E","2013","69","5","o689","","10.1107/S1600536813008647","","","0.71073","MoKα","","0.0922","0.0528","","","0.1411","0.1634","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237921","8.317","0.003","15.601","0.006","14.752","0.005","90","","90.884","0.011","90","","1913.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5-(benzyloxy)-3-methyl-1-tosyl-1H-indole","5-Benzyloxy-3-methyl-1-tosyl-1<i>H</i>-indole","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","KJ2226","Pozza Silveira, Gustavo; Oliver, Allen G.; Noll, Bruce C.","5-Benzyloxy-3-methyl-1-tosyl-1<i>H</i>-indole","Acta Crystallographica Section E","2013","69","6","o979","","10.1107/S1600536813014001","","","0.71073","MoKα","","0.0432","0.0365","","","0.0971","0.1022","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237922","6.7891","0.0002","13.9921","0.0003","15.1788","0.0003","90","","101.175","0.001","90","","1414.55","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-3-(4-Chlorophenyl)-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","","- C17 H11 Cl N2 O2 -","- C17 H11 Cl N2 O2 -","- C68 H44 Cl4 N8 O8 -","4","1","KP2448","Paramasivam, S.; Srinivasan, J.; Seshadri, P.R.; Bakthadoss, M.","<i>rac</i>-3-(4-Chlorophenyl)-3a,4-dihydro-3<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","Acta Crystallographica Section E","2013","69","5","o716","","10.1107/S1600536813009653","","","0.71073","MoKα","","0.0524","0.0417","","","0.1225","0.1316","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237923","9.6063","0.0012","7.0457","0.0009","11.9688","0.0015","90","","96.723","0.001","90","","804.52","0.18","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","2-Bromo-1,6,6-trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-<i>b</i>]furan-10,11-dione","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C38 H34 Br2 O6 -","2","0.5","KP2449","Fan, Cui-Ping; Yin, Wei-Ping; Cao, Xin-Xiang; Yao, Jing-Cai","2-Bromo-1,6,6-trimethyl-6,7,8,9-tetrahydrophenanthro[1,2-<i>b</i>]furan-10,11-dione","Acta Crystallographica Section E","2013","69","6","o834","","10.1107/S1600536813011483","","","0.71073","MoKα","","0.0492","0.0329","","","0.0825","0.0866","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237924","9.9618","0.0003","10.2196","0.0004","14.601","0.0006","90","","106.231","0.002","90","","1427.22","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,3-Bis[(3-chloropyrazin-2-yl)oxy]benzene","","- C14 H8 Cl2 N4 O2 -","- C14 H8 Cl2 N4 O2 -","- C56 H32 Cl8 N16 O8 -","4","0.5","KP2450","Srinivasan, Thothadri; Kalpana, Venkatesan; Rajakumar, Perumal; Velmurugan, Devadasan","1,3-Bis[(3-chloropyrazin-2-yl)oxy]benzene","Acta Crystallographica Section E","2013","69","5","o815","","10.1107/S160053681301129X","","","0.71073","MoKα","","0.0403","0.0356","","","0.1071","0.1128","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237925","7.2372","0.0001","6.6726","0.0001","11.7126","0.0002","90","","106.715","0.001","90","","541.714","0.015","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(4<i>S</i>)-4-[(<i>R</i>)-Chloro(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one","","- C10 H9 Cl N2 O4 -","- C10 H9 Cl N2 O4 -","- C20 H18 Cl2 N4 O8 -","2","1","KP2451","Gaumet, V.; Denis, C.; Madesclaire, M.; Zaitsev, V. P.","(4<i>S</i>)-4-[(<i>R</i>)-Chloro(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2013","69","5","o783","","10.1107/S1600536813010398","","","0.71073","MoKα","","0.0439","0.0369","","","0.0928","0.0981","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237926","10.242","0.002","28.556","0.005","30.214","0.006","90","","90","","90","","8837","3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","3β,6β-Diacetoxy-5,9α-dihydroxy-5α-cholest-7-en-11-one acetic acid 0.04-solvate","","- C31.09 H48.18 O7.09 -","- C31.0873 H48.131 O7.08733 -","- C373.048 H577.572 O85.048 -","12","3","KP2452","Piccialli, Vincenzo; Oliviero, Giorgia; Borbone, Nicola; Centore, Roberto; Tuzi, Angela","3β,6β-Diacetoxy-5,9α-dihydroxy-5α-cholest-7-en-11-one acetic acid 0.04-solvate","Acta Crystallographica Section E","2013","69","6","o879","o880","10.1107/S1600536813012646","","","0.71073","MoKα","","0.1225","0.0627","","","0.155","0.185","","","","","","0.997","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237927","6.3064","0.0002","5.4695","0.0002","14.6481","0.0005","90","","94.303","0.002","90","","503.83","0.03","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","[(2<i>R</i>,3<i>R</i>)-3-(4-Nitrophenyl)aziridin-2-yl]methanol monohydrate","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C18 H24 N4 O8 -","2","1","KP2453","Gaumet, V.; Denis, C.; Leal, F.; Madesclaire, M.; Zaitsev, V. P.","[(2<i>R</i>,3<i>R</i>)-3-(4-Nitrophenyl)aziridin-2-yl]methanol monohydrate","Acta Crystallographica Section E","2013","69","6","o927","","10.1107/S1600536813013391","","","0.71073","MoKα","","0.0439","0.0349","","","0.0797","0.086","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237928","12.4929","0.0006","10.8699","0.0007","16.0758","0.0008","90","","91.864","0.005","90","","2181.9","0.2","99.95","0.17","99.95","0.17","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[(5'-Chloro-1,1':3',1''-terphenyl-4'-yl)imino]acenaphthylen-1(2<i>H</i>)-one","","- C30 H18 Cl N O -","- C30 H18 Cl N O -","- C120 H72 Cl4 N4 O4 -","4","1","KQ2002","Du, Zhengyin; Che, Fushou; Yan, Yufei; Liu, Wei","2-[(5'-Chloro-1,1':3',1''-terphenyl-4'-yl)imino]acenaphthylen-1(2<i>H</i>)-one","Acta Crystallographica Section E","2013","69","5","o624","o625","10.1107/S1600536813008015","","","0.7107","MoKα","","0.0905","0.0578","","","0.1074","0.121","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237929","6.914","0.003","11.232","0.004","11.806","0.004","91.079","0.006","100.737","0.005","96.317","0.006","894.6","0.6","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","15-Methoxy-14,15-dihydroandranginine","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C44 H52 N4 O6 -","2","1","LD2092","Wang, Dian-Lei; Cai, Xiang-Hai; Huang, Peng; Huang, He-Ping","15-Methoxy-14,15-dihydroandranginine","Acta Crystallographica Section E","2013","69","6","o833","","10.1107/S1600536813011604","","","0.71073","MoKα","","0.0624","0.0406","","","0.0832","0.0889","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237930","9.9187","0.0007","16.3916","0.0011","22.2115","0.0015","90","","92.5822","0.0011","90","","3607.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 2,5-di-<i>tert</i>-butyl-5-ethoxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carboxylate","","- C17 H29 N O4 -","- C17 H29 N O4 -","- C136 H232 N8 O32 -","8","2","LD2098","Rosen, Gerald M.; Muralidharan, Sukumaran; Zavalij, Peter Y.; Fletcher, Steven; Kao, Joseph P. Y.","Ethyl 2,5-di-<i>tert</i>-butyl-5-ethoxy-4-oxo-4,5-dihydro-1<i>H</i>-pyrrole-3-carboxylate","Acta Crystallographica Section E","2013","69","6","o878","","10.1107/S1600536813012282","","","0.71073","MoKα","","0.0424","0.0387","","","0.0751","0.0774","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237931","9.5723","0.0005","16.7309","0.0008","13.0555","0.0006","90","","92.929","0.002","90","","2088.15","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[3-(2-Acetoxyphenyl)quinoxalin-2-yl]phenyl acetate","","- C24 H18 N2 O4 -","- C24 H18 N2 O4 -","- C96 H72 N8 O16 -","4","1","LD2099","Shen, Dan-Feng; Lou, Shao-Jie; Xu, Dan-Qian","2-[3-(2-Acetoxyphenyl)quinoxalin-2-yl]phenyl acetate","Acta Crystallographica Section E","2013","69","5","o764","","10.1107/S1600536813009161","","","0.71073","MoKα","","0.0683","0.0452","","","0.0999","0.1173","","","","","","1.004","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237932","7.4523","0.0003","11.7003","0.0004","14.3121","0.0005","72.078","0.002","76.539","0.002","76.773","0.002","1137.98","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Methyl (2<i>Z</i>)-2-bromomethyl-3-(3-chlorophenyl)prop-2-enoate","","- C11 H10 Br Cl O2 -","- C11 H10 Br Cl O2 -","- C44 H40 Br4 Cl4 O8 -","4","2","LD2100","Swaminathan, K.; Sethusankar, K.; Selvakumar, Raman; Bakthadoss, Manickam","Methyl (2<i>Z</i>)-2-bromomethyl-3-(3-chlorophenyl)prop-2-enoate","Acta Crystallographica Section E","2013","69","6","o852","","10.1107/S1600536813012117","","","0.71073","MoKα","","0.0743","0.0355","","","0.0784","0.0915","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237933","8.106","0.0003","10.7771","0.0004","11.2639","0.0004","71.814","0.002","74.496","0.002","79.038","0.002","894.69","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","2-(4-Fluorophenyl)-5-iodo-7-methyl-3-phenylsulfinyl-1-benzofuran","","- C21 H14 F I O2 S -","- C21 H14 F I O2 S -","- C42 H28 F2 I2 O4 S2 -","2","1","LD2102","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","2-(4-Fluorophenyl)-5-iodo-7-methyl-3-phenylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2013","69","6","o820","","10.1107/S1600536813011793","","","0.71073","MoKα","","0.0253","0.0234","","","0.0602","0.0615","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237934","8.2402","0.0012","9.1449","0.0014","10.8876","0.0016","95.395","0.003","107.667","0.003","102.837","0.003","750.61","0.19","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","(<i>E</i>)-1-(3,5-Dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one","","- C18 H18 O4 -","- C18 H18 O4 -","- C36 H36 O8 -","2","1","LH5590","Ahn, Seunghyun; Lee, Ha-Jin; Lim, Yoongho; Koh, Dongsoo","(<i>E</i>)-1-(3,5-Dimethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","5","o666","","10.1107/S1600536813008982","","","0.71073","MoKα","","0.0846","0.0439","","","0.0846","0.1153","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237935","14.6385","0.0006","12.5099","0.0006","26.2017","0.001","90","","92.645","0.001","90","","4793.1","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-(4-Fluorophenyl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',2''-indan]-1,3,1''-trione methanol hemisolvate","","- C29.5 H26 F N O5.5 -","- C29.5 H26 F N O5.5 -","- C236 H208 F8 N8 O44 -","8","2","LH5596","Ali, Mohamed Ashraf; Manogaran, Elumalai; Choon, Tan Soo; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul","4'-(4-Fluorophenyl)-1'-methyldispiro[indane-2,2'-pyrrolidine-3',2''-indane]-1,3,1''-trione methanol hemisolvate","Acta Crystallographica Section E","2013","69","5","o746","o747","10.1107/S1600536813009987","","","0.71073","MoKα","","0.0736","0.049","","","0.1324","0.1474","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237936","7.7003","0.001","8.2841","0.0011","11.8677","0.0015","106.005","0.002","91.715","0.002","115.01","0.002","650.07","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-azido-diazidodi-μ-oxalato-dihistaminetetracopper(II) 0.9-hydrate","","- C14 H19.8 Cu4 N18 O8.9 -","- C14 H18 Cu4 N18 O8.894 -","- C14 H18 Cu4 N18 O8.894 -","1","0.5","LH5597","Liu, Chen; Abboud, Khalil A.","Di-μ-azido-diazidodi-μ-oxalato-dihistaminetetracopper(II) 0.9-hydrate","Acta Crystallographica Section E","2013","69","6","m337","m338","10.1107/S1600536813013329","","","0.71073","MoKα","","0.0373","0.0287","","","0.0695","0.0732","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237937","10.9629","0.0002","7.2177","0.0001","16.7812","0.0003","90","","104.711","0.0007","90","","1284.32","0.04","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,5'-Dichloro-2,2'-dimethoxybiphenyl","","- C14 H12 Cl2 O2 -","- C14 H12 Cl2 O2 -","- C56 H48 Cl8 O8 -","4","1","LH5598","Lehmler, Hans-Joachim; Wu, Huimin; Parkin, Sean","5,5'-Dichloro-2,2'-dimethoxybiphenyl","Acta Crystallographica Section E","2013","69","5","o650","","10.1107/S160053681300826X","","","0.71073","MoKα","","0.0579","0.0418","","","0.1012","0.1113","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237938","11.571","0.002","14.109","0.003","16.357","0.006","90","","121.03","0.02","90","","2288.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloridobis{2-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}zinc(II)","","- C20 H18 Cl2 N10 Zn -","- C20 H18 Cl2 N10 Zn -","- C80 H72 Cl8 N40 Zn4 -","4","1","LH5599","Zhang, Wei-Peng; Zhang, Jiao-Lin; Hao, Bao-Lian; Yang, Huai-Xia","Dichloridobis{2-[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]-1<i>H</i>-benzimidazole-κ<i>N</i>^3^}zinc(II)","Acta Crystallographica Section E","2013","69","5","m241","","10.1107/S1600536813008283","","","0.71073","MoKα","","0.0775","0.0573","","","0.0996","0.1083","","","","","","1.134","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237939","14.8723","0.0007","12.4829","0.0006","19.2103","0.0009","90","","96.126","0.001","90","","3546","0.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(<i>anti</i>-Chloridothiosemicabazide-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)copper(I) 0.48-hydrate","","- C37 H35.96 Cl Cu N3 O0.48 P2 S -","- C37 H35.958 Cl Cu N3 O0.479 P2 S -","- C148 H143.832 Cl4 Cu4 N12 O1.916 P8 S4 -","4","1","LH5600","Nimthong, Ruthairat; Pakawatchai, Chaveng; Phongphayak, Nutchanat; Wattanakanjana, Yupa","(<i>anti</i>-Chloridothiosemicabazide-κ<i>S</i>)bis(triphenylphosphane-κ<i>P</i>)copper(I) 0.48-hydrate","Acta Crystallographica Section E","2013","69","5","m244","m245","10.1107/S1600536813008556","","","0.71073","MoKα","","0.0651","0.0474","","","0.1021","0.1098","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237940","31.6697","0.0011","7.5883","0.0002","12.5915","0.0006","90","","108.514","0.004","90","","2869.4","0.2","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Methyl 2-{2-[(2-methylphenoxy)methyl]phenyl}-2-oxoacetate","","- C17 H16 O4 -","- C17 H16 O4 -","- C136 H128 O32 -","8","1","LH5601","Kaur, Manpreet; Butcher, Ray J.; Jasinski, Jerry P.; Yathirajan, H. S.; Siddaraju, B. P.","Methyl 2-{2-[(2-methylphenoxy)methyl]phenyl}-2-oxoacetate","Acta Crystallographica Section E","2013","69","5","o671","","10.1107/S1600536813008878","","","1.54184","CuKα","","0.0435","0.0384","","","0.1023","0.1067","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237941","8.1832","0.0002","8.8473","0.0002","9.5814","0.0002","75.355","0.001","81.624","0.001","77.134","0.001","651.35","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-(10-Bromoanthracen-9-yl)-1<i>H</i>-imidazole","","- C17 H11 Br N2 -","- C17 H11 Br N2 -","- C34 H22 Br2 N4 -","2","1","LH5602","Lee, Hon Man; Lee, Hong-Jyun","1-(10-Bromoanthracen-9-yl)-1<i>H</i>-imidazole","Acta Crystallographica Section E","2013","69","5","o672","","10.1107/S160053681300891X","","","0.71073","MoKα","","0.0367","0.0317","","","0.0978","0.0996","","","","","","1.11","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237942","9.4447","0.0003","19.1818","0.0006","28.1141","0.0007","90","","90","","90","","5093.3","0.3","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Betulone","Lup-20(29)-en-28-ol-3-one","","- C30 H48 O2 -","- C30 H48 O2 -","- C240 H384 O16 -","8","2","LH5603","Boryczka, Stanisław; Michalik, Ewa; Kusz, Joachim; Nowak, Maria; Chrobak, Elwira","Lup-20(29)-en-28-ol-3-one (betulone)","Acta Crystallographica Section E","2013","69","5","o795","o796","10.1107/S1600536813011008","","","0.71073","MoKα","","0.0586","0.051","","","0.1371","0.1406","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237943","7.7873","0.0002","9.5982","0.0002","9.6041","0.0002","76.608","0.002","70.602","0.002","68.57","0.002","625.3","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Methyl-4-{(<i>E</i>)-[4-(methylsulfanyl)benzylidene]amino}-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C11 H12 N4 S2 -","- C11 H12 N4 S2 -","- C22 H24 N8 S4 -","2","1","LH5604","Sarojini, B. K.; Manjula, P. S.; Hegde, Gurumurthy; Kour, Dalbir; Gupta, Vivek K.; Kant, Rajni","3-Methyl-4-{(<i>E</i>)-[4-(methylsulfanyl)benzylidene]amino}-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2013","69","5","o718","o719","10.1107/S1600536813009690","","","0.71073","MoKα","","0.0378","0.032","","","0.0836","0.0881","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237944","7.458","0.0003","5.8006","0.0002","25.2817","0.001","90","","94.513","0.004","90","","1090.32","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Amino-3-(3-methoxybenzyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C10 H12 N4 O S -","- C10 H12 N4 O S -","- C40 H48 N16 O4 S4 -","4","1","LH5605","Sarojini, B. K.; Manjula, P. S.; Hegde, Gurumurthy; Kour, Dalbir; Anthal, Sumati; Gupta, Vivek K.; Kant, Rajni","4-Amino-3-(3-methoxybenzyl)-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2013","69","5","o728","","10.1107/S1600536813009859","","","0.71073","MoKα","","0.0461","0.0355","","","0.0826","0.088","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237945","11.3776","0.0006","11.9579","0.0005","11.0459","0.0006","90","","90.943","0.002","90","","1502.62","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(2,4-dinitrophenyl)disulfane","","- C12 H6 N4 O8 S2 -","- C12 H6 N4 O8 S2 -","- C48 H24 N16 O32 S8 -","4","1","LH5606","Muthulakshmi, Selvarasu; Kalaivani, Doraisamyraja","1,2-Bis(2,4-dinitrophenyl)disulfane","Acta Crystallographica Section E","2013","69","5","o808","o809","10.1107/S1600536813011082","","","0.71073","MoKα","","0.0722","0.0471","","","0.1238","0.1408","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237946","9.2614","0.0004","11.0309","0.0004","13.8161","0.0006","102.557","0.002","100.646","0.002","103.704","0.002","1296.29","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 2-[(2-chloroquinolin-3-yl)(hydroxy)methyl]acrylate","","- C14 H12 Cl N O3 -","- C14 H12 Cl N O3 -","- C56 H48 Cl4 N4 O12 -","4","2","LH5607","Anuradha, T.; Srinivasan, J.; Seshadri, P. R.; Bakthadoss, M.","Methyl 2-[(2-chloroquinolin-3-yl)(hydroxy)methyl]acrylate","Acta Crystallographica Section E","2013","69","6","o990","","10.1107/S1600536813014050","","","0.71073","MoKα","","0.0401","0.0322","","","0.0866","0.0929","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237947","8.842","0.001","10.743","0.001","15.268","0.003","90","","98.32","0.01","90","","1435","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Sodium bis(ethylenediamine)copper(II) tetracyanidocuprate(I)","","- C8 H16 Cu2 N8 Na -","- C8 H16 Cu2 N8 Na -","- C32 H64 Cu8 N32 Na4 -","4","1","LH5608","Corfield, Peter W. R.; Dobbs, Robert K.; Bell, Brian","Sodium bis(ethylenediamine)copper(II) tetracyanidocuprate(I)","Acta Crystallographica Section E","2013","69","6","m307","m308","10.1107/S1600536813012075","","","1.5418","CuKα","","0.03","0.0293","","","0.0862","0.0867","","","","","","1.192","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237948","3.5875","0.0003","24.8548","0.0017","8.819","0.006","90","","95.546","0.004","90","","782.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[1<i>H</i>-imidazol-3-ium [di-μ-nitrato-sodium]]","","- C3 H5 N4 Na O6 -","- C3 H5 N4 Na O6 -","- C12 H20 N16 Na4 O24 -","4","1","LH5609","Trifa, Chahrazed; Bouhali, Amira; Bouacida, Sofiane; Boudaren, Chaouki; Bataille, Thierry","Poly[1<i>H</i>-imidazol-3-ium [di-μ-nitrato-sodium]]","Acta Crystallographica Section E","2013","69","6","m303","m304","10.1107/S1600536813011951","","","0.71073","MoKα","","0.0429","0.0343","","","0.0795","0.0842","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237949","9.7939","0.0015","5.1123","0.0009","16.776","0.003","90","","115.838","0.011","90","","756","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquanickel(II) dihydrate","","- C10 H16 N6 Ni O8 -","- C10 H16 N6 Ni O8 -","- C20 H32 N12 Ni2 O16 -","2","0.5","LH5610","Bouchene, Rafika; Khadri, Amina; Bouacida, Sofiane; Berrah, Fadila; Merazig, Hocine","Bis(3-aminopyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)diaquanickel(II) dihydrate","Acta Crystallographica Section E","2013","69","6","m309","m310","10.1107/S1600536813012208","","","0.71073","MoKα","","0.0368","0.0275","","","0.0681","0.0729","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237950","7.8205","0.0002","13.356","0.0003","8.5621","0.0002","90","","90","","90","","894.32","0.04","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1-Allyl-2-aminopyridin-1-ium bromide","","- C8 H11 Br N2 -","- C8 H11 Br N2 -","- C32 H44 Br4 N8 -","4","1","LH5611","Seethalakshmi, T.; Venkatesan, P.; Nallu, M.; Lynch, Daniel E.; Thamotharan, S.","1-Allyl-2-aminopyridin-1-ium bromide","Acta Crystallographica Section E","2013","69","6","o884","","10.1107/S1600536813012452","","","0.71073","MoKα","","0.0241","0.0228","","","0.0521","0.0529","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237951","10.471","0.0003","10.4957","0.0003","11.9774","0.0003","84.941","0.002","83.633","0.002","69.084","0.003","1220.32","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(but-2-enoato-κ<i>O</i>)triphenylbismuth(V)","","- C26 H25 Bi O4 -","- C26 H25 Bi O4 -","- C52 H50 Bi2 O8 -","2","1","LH5612","Andreev, Pavel V.; Somov, Nikolay V.; Kalistratova, Olga S.; Gushchin, Alexey V.; Chuprunov, Evgeny V.","Bis(but-2-enoato-κ<i>O</i>)triphenylbismuth(V)","Acta Crystallographica Section E","2013","69","6","m333","","10.1107/S1600536813013317","","","0.71073","MoKα","","0.0228","0.0199","","","","0.0501","","","","","","1.114","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237952","8.8015","0.0014","11.2619","0.0014","11.838","0.003","62.86","0.017","73.625","0.016","79.593","0.012","1000","0.4","102","2","102","2","","","","","","","","4","P -1","-P 1","2","","3,4-Bis[1-(prop-2-ynyl)-1<i>H</i>-indol-3-yl]-1<i>H</i>-pyrrole-2,5-dione","","- C26 H17 N3 O2 -","- C26 H17 N3 O2 -","- C52 H34 N6 O4 -","2","1","LH5613","Huang, Mu-Hua; Gao, Yong-Chen; Yang, Feng-Ling; Luo, Yun-Jun","3,4-Bis[1-(prop-2-ynyl)-1<i>H</i>-indol-3-yl]-1<i>H</i>-pyrrole-2,5-dione","Acta Crystallographica Section E","2013","69","6","o924","o925","10.1107/S1600536813012889","","","0.71073","MoKα","","0.066","0.049","","","0.1051","0.1138","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237953","7.095","0.016","15.14","0.04","17.86","0.05","90","","90","","90","","1918","9","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methoxy-1-(2-methoxy-4-nitronaphthalen-1-yl)-6-nitronaphthalene","","- C22 H16 N2 O6 -","- C22 H16 N2 O6 -","- C88 H64 N8 O24 -","4","1","LR2099","Wannalerse, Boontana; Pannil, Wilasinee; Loriang, Jaruwan; Tuntulani, Thawatchai; Duangthongyou, Tanwawan","2-Methoxy-1-(2-methoxy-4-nitronaphthalen-1-yl)-6-nitronaphthalene","Acta Crystallographica Section E","2013","69","5","o682","","10.1107/S1600536813008660","","","0.71073","MoKα","","0.0537","0.0345","","","0.0801","0.0901","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237954","8.1818","0.0011","9.7103","0.0013","13.9435","0.0019","69.642","0.001","75.448","0.001","67.032","0.001","947.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-9-(But-2-en-1-yl)-6-chloro-9<i>H</i>-purine","","- C9 H9 Cl N4 -","- C9 H9 Cl N4 -","- C36 H36 Cl4 N16 -","4","2","LR2100","Lundvall, Fredrik; Kania, Jindrich; Gundersen, Lise-Lotte","(<i>E</i>)-9-(But-2-en-1-yl)-6-chloro-9<i>H</i>-purine","Acta Crystallographica Section E","2013","69","6","o849","","10.1107/S1600536813010416","","","0.71073","MoKα","","0.0293","0.0266","","","0.0684","0.0704","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237955","11.645","0.0002","7.167","0.0001","16.308","0.0003","90","","107.654","0.001","90","","1296.96","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methylanilinium 4-hydroxybenzenesulfonate","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C52 H60 N4 O16 S4 -","4","1","LR2102","Jovita, J. V.; Sathya, S.; Usha, G.; Vasanthi, R.; Sagayaraj, P.","4-Methylanilinium 4-hydroxybenzenesulfonate","Acta Crystallographica Section E","2013","69","5","o725","","10.1107/S1600536813009410","","","0.71073","MoKα","","0.0347","0.0304","","","0.0873","0.0907","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237956","6.4716","0.0003","9.8468","0.0006","16.9206","0.0007","75.438","0.004","80.307","0.004","75.863","0.004","1005.42","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","8-{(<i>E</i>)-[(4-Chlorophenyl)imino]methyl}-1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-<i>ij</i>]quinolin-9-ol","","- C23 H27 Cl N2 O -","- C23 H27 Cl N2 O -","- C46 H54 Cl2 N4 O2 -","2","1","LR2103","Kantar, Esen Nur; Köysal, Yavuz; Akdemir, Nesuhi; Ağar, Ayşen Alaman; Soylu, Mustafa Serkan","8-{(<i>E</i>)-[(4-Chlorophenyl)imino]methyl}-1,1,7,7-tetramethyl-1,2,3,5,6,7-hexahydropyrido[3,2,1-<i>ij</i>]quinolin-9-ol","Acta Crystallographica Section E","2013","69","6","o883","","10.1107/S1600536813012579","","","0.71073","MoKα","","0.0696","0.0552","","","0.1307","0.1421","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237957","5.1947","0.0001","12.1221","0.0003","18.2724","0.0005","90","","98.067","0.001","90","","1139.24","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Ammoniomethyl)pyridinium bis(perchlorate)","","- C6 H10 Cl2 N2 O8 -","- C6 H10 Cl2 N2 O8 -","- C24 H40 Cl8 N8 O32 -","4","1","LR2104","Bayar, Imen; Kefi, Riadh; Sidonio Pereira da Silva, Pedro; Ramos Silva, Manuela; Ben Nasr, Cherif","3-(Ammoniomethyl)pyridinium bis(perchlorate)","Acta Crystallographica Section E","2013","69","6","o843","","10.1107/S1600536813012038","","","0.71073","MoKα","","0.0579","0.0512","","","0.1421","0.1484","","","","","","1.059","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2237958","9.156","0.005","17.668","0.008","10.103","0.005","90","","107.914","0.007","90","","1555.1","1.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Methyl-3-oxo-1,3-diphenylpropyl)acetamide","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","LX2279","Yang, Deli; Shi, Daxin; Zhang, Qi; Chai, Hongxin; Li, Jiarong","<i>N</i>-(2-Methyl-3-oxo-1,3-diphenylpropyl)acetamide","Acta Crystallographica Section E","2013","69","5","o633","","10.1107/S1600536813007320","","","0.71073","MoKα","","0.0893","0.0697","","","0.145","0.156","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237959","9.4761","0.0002","11.9967","0.0003","15.9238","0.0004","75.944","0.002","86.163","0.001","69.368","0.003","1643.07","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3,3'-{[(Biphenyl-2,2'-diyl)bis(methylene)]bis(oxy)}bis[<i>N</i>-(4-chlorophenyl)benzamide]","","- C40 H30 Cl2 N2 O4 -","- C40 H30 Cl2 N2 O4 -","- C80 H60 Cl4 N4 O8 -","2","1","LX2280","Rajadurai, Raj; Padmanabhan, Ramar; Meenakshi Sundaram, Soma Sundaram; Ananthan, Sarkkarai","3,3'-{[(Biphenyl-2,2'-diyl)bis(methylene)]bis(oxy)}bis[<i>N</i>-(4-chlorophenyl)benzamide]","Acta Crystallographica Section E","2013","69","6","o914","o915","10.1107/S160053681301009X","","","0.71073","MoKα","","0.0665","0.0394","","","0.0873","0.1011","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237960","10.2115","0.0007","9.9667","0.0007","21.3672","0.0016","90","","100.971","0.007","90","","2134.9","0.3","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Tetrakis(μ-<i>N</i>-phenylacetamidato)-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[(benzonitrile-κ<i>N</i>)rhodium(II)](<i>Rh</i>—<i>Rh</i>)","","- C46 H42 N6 O4 Rh2 -","- C46 H42 N6 O4 Rh2 -","- C92 H84 N12 O8 Rh4 -","2","0.5","MW2103","Eagle, Cassandra T.; Quarshie, Fredricka; Ketron, Megan E.; Atem-Tambe, Nkongho","<i>cis</i>-Tetrakis(μ-<i>N</i>-phenylacetamidato)-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-bis[(benzonitrile-κ<i>N</i>)rhodium(II)](<i>Rh</i>—<i>Rh</i>)","Acta Crystallographica Section E","2013","69","6","m329","","10.1107/S1600536813012828","","","0.71075","MoKα","","","0.0214","","","","0.0544","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237961","10.2048","0.0006","18.517","0.0011","9.6164","0.0006","90","","90.494","0.004","90","","1817.07","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(9<i>H</i>-Fluoren-9-yl)-4-(4-fluoroanilino)-4-oxobutanoic acid","","- C23 H18 F N O3 -","- C23 H18 F N O3 -","- C92 H72 F4 N4 O12 -","4","1","MW2107","Matviiuk, Tetiana; Baltas, Michel; Voitenko, Zoia; Gorichko, Marian; Lherbet, Christian","2-(9<i>H</i>-Fluoren-9-yl)-4-(4-fluoroanilino)-4-oxobutanoic acid","Acta Crystallographica Section E","2013","69","6","o963","","10.1107/S1600536813013779","","","0.71073","MoKα","","0.1283","0.0544","","","0.0846","0.1038","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237962","6.5529","0.0005","10.0457","0.0008","14.5282","0.0011","83.372","0.002","86.697","0.002","87.427","0.002","947.69","0.13","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","4-(1<i>H</i>-Pyrrolo[2,3-<i>b</i>]pyridin-2-yl)pyridine","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","2","NC2308","Huang, Ping-Hsin; Wen, Yuh-Sheng; Shen, Jiun-Yi","4-(1<i>H</i>-Pyrrolo[2,3-<i>b</i>]pyridin-2-yl)pyridine","Acta Crystallographica Section E","2013","69","5","o674","","10.1107/S1600536813008672","","","0.71073","MoKα","","0.0801","0.0578","","","0.1145","0.1239","","","","","","1.139","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237963","8.7444","0.0009","8.4832","0.0009","19.829","0.002","90","","94.053","0.002","90","","1467.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-(3,4-Difluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","","- C17 H14 F2 O3 -","- C17 H14 F2 O3 -","- C68 H56 F8 O12 -","4","1","NC2310","Zhu, He-Ping; Yu, Peng-Tian; Wang, Zhe; Yang, Sheng-Li; Liu, Zhi-Guo","(<i>E</i>)-3-(3,4-Difluorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","6","o960","","10.1107/S1600536813013767","","","0.71073","MoKα","","0.0602","0.0428","","","0.1171","0.1286","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237964","7.1786","0.0011","7.3213","0.001","16.042","0.002","90","","102.196","0.004","90","","824.1","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>tert</i>-Butyl <i>N</i>-[(3<i>R</i>,4<i>R</i>)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-<i>N</i>-methylcarbamate","","- C15 H25 N3 O3 -","- C15 H25 N3 O3 -","- C30 H50 N6 O6 -","2","1","NC2311","Gehringer, Matthias; Forster, Michael; Schollmeyer, Dieter; Laufer, Stefan","<i>tert</i>-Butyl <i>N</i>-[(3<i>R</i>,4<i>R</i>)-1-(2-cyanoacetyl)-4-methylpiperidin-3-yl]-<i>N</i>-methylcarbamate","Acta Crystallographica Section E","2013","69","6","o935","","10.1107/S1600536813013512","","","0.71073","MoKα","","0.0476","0.0384","","","0.0949","0.1012","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237965","21.219","0.003","9.4756","0.0014","21.596","0.004","90","","92.845","0.01","90","","4336.8","1.2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetraacetonitrilelithium tetraisothiocyanatoborate","","- C12 H12 B Li N8 S4 -","- C12 H12 B Li N8 S4 -","- C96 H96 B8 Li8 N64 S32 -","8","1","NG5320","Breunig, Jens Michael; Wietelmann, Ulrich; Lerner, Hans-Wolfram; Bolte, Michael","Tetraacetonitrilelithium tetraisothiocyanatoborate","Acta Crystallographica Section E","2013","69","5","m253","","10.1107/S1600536813009082","","","0.71073","MoKα","","0.0641","0.0379","","","0.0837","0.092","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237966","17.4615","0.0013","19.0291","0.0015","11.9501","0.0009","90","","91.825","0.005","90","","3968.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2,2-Dichloroacetyl)-3-ethyl-2,6-diphenylpiperidin-4-one","","- C21 H21 Cl2 N O2 -","- C21 H21 Cl2 N O2 -","- C168 H168 Cl16 N8 O16 -","8","2","NG5321","Sugumar, P.; Kayalvizhi, R.; Nirmala, P.; Ponnuswamy, S.; Ponnuswamy, M. N.","1-(2,2-Dichloroacetyl)-3-ethyl-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2013","69","5","o800","","10.1107/S1600536813010957","","","0.71073","MoKα","","0.1219","0.0544","","","0.1342","0.1751","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237967","22.04","0.004","11.844","0.002","9.5102","0.0019","90","","101.69","0.03","90","","2431.1","0.8","123","2","123.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5-Bromo-2-hydroxybenzaldehyde 4-ethylthiosemicarbazone","","- C10 H12 Br N3 O S -","- C10 H12 Br N3 O S -","- C80 H96 Br8 N24 O8 S8 -","8","1","NG5322","Li, Zhaoyang; Sato, Osamu","5-Bromo-2-hydroxybenzaldehyde 4-ethylthiosemicarbazone","Acta Crystallographica Section E","2013","69","5","o762","","10.1107/S1600536813008787","","","0.710747","MoKα","","0.0542","0.0415","","","0.1082","0.1135","","","","","","0.953","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237968","22.672","0.003","8.8049","0.0011","24.431","0.003","90","","110.487","0.002","90","","4568.6","1","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 9-(4-methoxyphenyl)-19-methyl-3,12-diazapentacyclo[10.7.0.0^2,10^.0^3,8^.0^13,18^]nonadeca-1(19),13(18),14,16-tetraene-10-carboxylate","","- C27 H30 N2 O3 -","- C27 H30 N2 O3 -","- C216 H240 N16 O24 -","8","2","NG5324","Selvanayagam, S.; Sridhar, B.; Kathiravan, S.; Raghunathan, R.","Methyl 9-(4-methoxyphenyl)-19-methyl-3,12-diazapentacyclo[10.7.0.0^2,10^.0^3,8^.0^13,18^]nonadeca-1(19),13(18),14,16-tetraene-10-carboxylate","Acta Crystallographica Section E","2013","69","5","o776","","10.1107/S1600536813010489","","","0.71073","MoKα","","0.127","0.0922","","","0.167","0.1822","","","","","","1.181","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237969","9.1342","0.0006","9.2874","0.0006","27.0454","0.0014","90","","90","","90","","2294.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3,5-Dimethyl-1-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}-2,6-diphenylpiperidin-4-one","","- C24 H25 N3 O2 S2 -","- C24 H25 N3 O2 S2 -","- C96 H100 N12 O8 S8 -","4","1","NG5326","Ganesan, S.; Sugumar, P.; Ananthan, S.; Ponnuswamy, M. N.","3,5-Dimethyl-1-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}-2,6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2013","69","6","o845","","10.1107/S1600536813012014","","","0.71073","MoKα","","0.0495","0.0396","","","0.0927","0.0975","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237970","10.3301","0.0002","10.5415","0.0002","15.216","0.0003","90","","90","","90","","1656.94","0.06","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,2',5',6-Tetrachloro-4-[(1<i>S</i>)-1-methylpropoxy]biphenyl","","- C16 H14 Cl4 O -","- C16 H14 Cl4 O -","- C64 H56 Cl16 O4 -","4","1","NG5329","Lehmler, Hans-Joachim; Wu, Huimin; Parkin, Sean","2,2',5',6-Tetrachloro-4-[(1<i>S</i>)-1-methylpropoxy]biphenyl","Acta Crystallographica Section E","2013","69","6","o983","","10.1107/S1600536813014098","","","0.71073","MoKα","","0.0435","0.0336","","","0.0763","0.0813","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237971","10.93439","0.00014","11.83205","0.00018","13.51039","0.00019","84.7158","0.0012","84.3918","0.0011","85.624","0.0011","1728.16","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(Cyclobutane-1,1-dicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) dihydrate","","- C18 H18 N2 O6 Pt -","- C18 H18 N2 O6 Pt -","- C72 H72 N8 O24 Pt4 -","4","2","NG5330","Štarha, Pavel; Trávníček, Zdeněk","(Cyclobutane-1,1-dicarboxylato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) dihydrate","Acta Crystallographica Section E","2013","69","6","m334","","10.1107/S1600536813013378","","","0.71073","MoKα","","0.0235","0.0214","","","0.0575","0.0583","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237972","14.3408","0.0006","9.1904","0.0004","26.4029","0.0012","90","","93.451","0.002","90","","3473.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(<i>N</i>,<i>N</i>-dimethylanilinium) hexabromidostannate(IV) bromide","","- C24 H36 Br7 N3 Sn -","- C24 H36 Br7 N3 Sn -","- C96 H144 Br28 N12 Sn4 -","4","1","NK2205","Chouaib, Hassen; Kamoun, Slaheddine; Ayedi, Hassine Ferid","Tris(<i>N</i>,<i>N</i>-dimethylanilinium) hexabromidostannate(IV) bromide","Acta Crystallographica Section E","2013","69","6","m311","","10.1107/S1600536813012403","","","0.71073","MoKα","","0.053","0.0304","","","0.0567","0.0636","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237973","10.036","0.002","10.064","0.002","14.264","0.003","90","","107.3","0.01","90","","1375.5","0.5","297","2","297","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Li3[AsS4].8H2O","Trilithium thioarsenate octahydrate","","- As H16 Li3 O8 S4 -","- As H16 Li3 O8 S4 -","- As4 H64 Li12 O32 S16 -","4","1","PJ2002","Mereiter, Kurt","Trilithium thioarsenate octahydrate","Acta Crystallographica Section E","2013","69","5","i30","i31","10.1107/S1600536813010921","","","0.71073","MoKα","","0.0485","0.0278","","","0.0515","0.0573","","","","","","1.051","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237974","20.219","0.007","7.246","0.002","33.885","0.011","90","","103.017","0.007","90","","4837","3","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","6,12-Bis[(tricyclohexylsilyl)ethynyl]indeno[1,2-<i>b</i>]fluorene","","- C60 H76 Si2 -","- C60 H76 Si2 -","- C240 H304 Si8 -","4","0.5","PK2470","Rose, Bradley D.; Zakharov, Lev N.; Haley, Michael M.","6,12-Bis[(tricyclohexylsilyl)ethynyl]indeno[1,2-<i>b</i>]fluorene","Acta Crystallographica Section E","2013","69","6","o890","","10.1107/S160053681301218X","","","0.71073","MoKα","","0.1672","0.0761","","","0.1195","0.1506","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237975","13.037","0.002","23.355","0.003","13.787","0.002","90","","104.83","0.03","90","","4058","1.1","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(Tris{2-[2-(2,3,5,6-tetrafluoro-4-iodophenoxy)ethoxy]ethyl}amine)potassium iodide","","- C30 H24 F12 I4 K N O6 -","- C30 H24 F12 I4 K N O6 -","- C120 H96 F48 I16 K4 N4 O24 -","4","1","PK2473","Cavallo, Gabriella; Neukirch, Hannes; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","(Tris{2-[2-(2,3,5,6-tetrafluoro-4-iodophenoxy)ethoxy]ethyl}amine)potassium iodide","Acta Crystallographica Section E","2013","69","5","m284","m285","10.1107/S1600536813010532","","","0.71073","MoKα","","0.0508","0.0406","","","0.1141","0.1194","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237976","23.55","0.008","18.814","0.007","12.114","0.005","90","","90","","90","","5367","3","295","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Aquabis(4-methylbenzenesulfonato-κ<i>O</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III) monohydrate","","- C24 H33 O8 Rh S2 -","- C24 H33 O8 Rh S2 -","- C192 H264 O64 Rh8 S16 -","8","1","PK2474","Roy, Christopher P.; Boyer, Pauline M.; Merola, Joseph S.","Aquabis(4-methylbenzenesulfonato-κ<i>O</i>)(η^5^-pentamethylcyclopentadienyl)rhodium(III) monohydrate","Acta Crystallographica Section E","2013","69","5","m259","m260","10.1107/S160053681300860X","","","0.71073","MoKα","","0.0682","0.0383","","","0.0755","0.0861","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237977","22.4689","0.0007","22.4689","0.0007","8.2443","0.0003","90","","90","","90","","4162.1","0.2","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Diethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","- C20 H25 N O5 -","- C20 H25 N O5 -","- C160 H200 N8 O40 -","8","1","PK2475","Wang, Ke; Wang, Yifeng; Yao, Minjie; Xu, Danqian","Diethyl 4-(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","Acta Crystallographica Section E","2013","69","5","o785","","10.1107/S1600536813009951","","","0.71073","MoKα","","0.09","0.0587","","","0.1472","0.1671","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237978","10.245","0.003","12.966","0.004","10.91","0.004","90","","111","0.03","90","","1353","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[bis(piperazine-1,4-diium) [(μ~4~-<i>cyclo</i>-hexaphosphato)dilithium] tetrahydrate]","","- C8 H32 Li2 N4 O22 P6 -","- C8 H32 Li2 N4 O22 P6 -","- C16 H64 Li4 N8 O44 P12 -","2","0.5","PK2476","Ameur, Iness; Abid, Sonia; Al-Deyab, Salem S.; Rzaigui, Mohamed","Poly[bis(piperazine-1,4-diium) [(μ~4~-<i>cyclo</i>-hexaphosphato)dilithium] tetrahydrate]","Acta Crystallographica Section E","2013","69","6","m305","m306","10.1107/S1600536813011756","","","0.56085","AgKα","","0.1142","0.0498","","","0.1081","0.1279","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237979","10.0804","0.0017","10.5784","0.0017","11.1573","0.0018","80.982","0.004","85.152","0.004","80.27","0.004","1156.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-<i>N</i>-<i>tert</i>-Butyl-2-(4-methoxyanilino)-<i>N</i>'-(4-methoxyphenyl)-2-phenylacetimidamide","","- C26 H31 N3 O2 -","- C26 H31 N3 O2 -","- C52 H62 N6 O4 -","2","1","PK2477","Roberts, Sue A.; Saha, Biswajit; Frett, Brendan; Li, Hong-Yu","(<i>Z</i>)-<i>N</i>-<i>tert</i>-Butyl-2-(4-methoxyanilino)-<i>N</i>'-(4-methoxyphenyl)-2-phenylacetimidamide","Acta Crystallographica Section E","2013","69","6","o902","","10.1107/S1600536813012877","","","0.71073","MoKα","","0.0539","0.0434","","","0.0989","0.1055","","","","","","0.944","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237980","12.9926","0.0005","21.1673","0.0007","11.2622","0.0006","90","","114.274","0.005","90","","2823.5","0.2","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Benzyl-9-isopropyl-9<i>H</i>-purin-6-amine","","- C15 H17 N5 -","- C15 H17 N5 -","- C120 H136 N40 -","8","2","PK2482","Gergela, David; Rouchal, Michal; Bartoš, Peter; Vícha, Robert","<i>N</i>-Benzyl-9-isopropyl-9<i>H</i>-purin-6-amine","Acta Crystallographica Section E","2013","69","6","o954","o955","10.1107/S1600536813013500","","","0.71073","MoKα","","0.0552","0.0293","","","0.0546","0.0575","","","","","","0.829","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237981","9.3696","0.0002","10.3141","0.0002","11.7579","0.0003","68.665","0.002","78.18","0.002","70.63","0.002","993.9","0.04","100.05","0.1","99.95","0.1","","","","","","","","6","P -1","-P 1","2","","2-[(Dimethylphenylphosphanylidene)azaniumyl]-5-methylbenzenesulfonate benzene monosolvate","","- C21 H24 N O3 P S -","- C21 H24 N O3 P S -","- C42 H48 N2 O6 P2 S2 -","2","1","PK2483","Burns, Christopher T.; Shang, Suisheng; Mashuta, Mark S.","2-[(Dimethylphenylphosphanylidene)azaniumyl]-5-methylbenzenesulfonate benzene monosolvate","Acta Crystallographica Section E","2013","69","6","o964","o965","10.1107/S1600536813013755","","","0.71073","MoKα","","0.0437","0.0408","","","0.0941","0.0957","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237982","8.5437","0.0015","9.2984","0.0018","11.545","0.002","88.592","0.01","74.974","0.009","73.231","0.009","846.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl 3,5-bis[(3-chloropyrazin-2-yl)oxy]benzoate","","- C16 H10 Cl2 N4 O4 -","- C16 H10 Cl2 N4 O4 -","- C32 H20 Cl4 N8 O8 -","2","1","PV2625","Srinivasan, Thothadri; Kalpana, Venkatesan; Rajakumar, Perumal; Velmurugan, Devadasan","Methyl 3,5-bis[(3-chloropyrazin-2-yl)oxy]benzoate","Acta Crystallographica Section E","2013","69","5","o777","","10.1107/S1600536813010465","","","0.71073","MoKα","","0.0438","0.0393","","","0.1175","0.1239","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237983","13.506","0.003","17.675","0.004","14.755","0.003","90","","105.12","0.03","90","","3400.4","1.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexahydro-1<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-9-yl](phenyl)methanone","","- C19 H19 N3 O4 -","- C19 H19 N3 O4 -","- C152 H152 N24 O32 -","8","2","PV2626","Zhang, Wen-Feng; Xia, Jian-Hui; Xu, Zhao-Hui; Wang, Li-Ben; Yu, Chu-Yi","[6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexahydro-1<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-9-yl](phenyl)methanone","Acta Crystallographica Section E","2013","69","6","o986","","10.1107/S160053681301386X","","","0.71073","MoKα","","0.0819","0.0486","","","0.1145","0.1264","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237984","5.211","0.0003","5.4165","0.0004","18.4544","0.0012","87.232","0.002","83.993","0.006","80.862","0.004","511.18","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-Hydroxy-1-[(morpholin-4-yl)methyl]pyridazin-6(1<i>H</i>)-one","","- C9 H13 N3 O3 -","- C9 H13 N3 O3 -","- C18 H26 N6 O6 -","2","1","PV2627","Santhi, P. R.; Selvanathan, G.; Poongothai, G.; Srinivasan, T.; Velmurugan, D.","3-Hydroxy-1-[(morpholin-4-yl)methyl]pyridazin-6(1<i>H</i>)-one","Acta Crystallographica Section E","2013","69","5","o778","","10.1107/S1600536813010477","","","0.71073","MoKα","","0.0787","0.0508","","","0.1397","0.158","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237985","40.0712","0.0018","5.684","0.0002","18.647","0.0008","90","","92.903","0.002","90","","4241.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(4-Chlorophenyl)-1-cyclopropyl-2-(2-fluorophenyl)-5-phenylpentane-1,5-dione","","- C26 H22 Cl F O2 -","- C26 H22 Cl F O2 -","- C208 H176 Cl8 F8 O16 -","8","1","PV2628","Srinivasan, Thothadri; Senthilkumar, Govindaraj; Manikandan, Haridoss; Gopalakrishnan, Mannathusamy; Velmurugan, Devadasan","3-(4-Chlorophenyl)-1-cyclopropyl-2-(2-fluorophenyl)-5-phenylpentane-1,5-dione","Acta Crystallographica Section E","2013","69","5","o816","","10.1107/S1600536813011276","","","0.71073","MoKα","","0.077","0.044","","","0.1071","0.1251","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237986","15.465","0.003","6.3578","0.001","15.634","0.003","90","","103.687","0.005","90","","1493.5","0.5","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-2-(thiophen-2-yl)-1-[(thiophen-2-yl)methyl]-1<i>H</i>-benzimidazole","","- C16 H11 Cl N2 S2 -","- C16 H11 Cl N2 S2 -","- C64 H44 Cl4 N8 S8 -","4","1","PV2630","Geiger, David K.; Nellist, Michael R.","6-Chloro-2-(thiophen-2-yl)-1-[(thiophen-2-yl)methyl]-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2013","69","5","o807","","10.1107/S1600536813011124","","","0.71073","MoKa","","0.0715","0.0559","","","0.1396","0.1482","","","","","","1.106","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2237987","8.846","0.0018","10.742","0.002","10.024","0.002","90","","107.27","0.03","90","","909.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-Methyl-<i>N</i>-(1,3-thiazol-2-yl)isoxazole-4-carboxamide","","- C8 H7 N3 O2 S -","- C8 H7 N3 O2 S -","- C32 H28 N12 O8 S4 -","4","1","PV2631","Wang, De-Cai; Sun, Xiang; Su, Peng; Ou-Yang, Ping-Kai","5-Methyl-<i>N</i>-(1,3-thiazol-2-yl)isoxazole-4-carboxamide","Acta Crystallographica Section E","2013","69","6","o853","","10.1107/S1600536813012105","","","0.71073","MoKα","","0.0672","0.0508","","","0.1363","0.1519","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237988","5.2888","0.0002","14.9139","0.0006","20.0275","0.0008","90","","100.867","0.002","90","","1551.37","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(4-Bromophenyl)-2-oxoethyl naphthalene-1-carboxylate","2-(4-Bromophenyl)-2-oxoethyl naphthalene-1-carboxylate","","- C19 H13 Br O3 -","- C19 H13 Br O3 -","- C76 H52 Br4 O12 -","4","1","QK2054","Garudachari, Bhadrachari; Isloor, Arun M.; Gerber, Thomas; Hosten, Eric; Betz, Richard","2-(4-Bromophenyl)-2-oxoethyl naphthalene-1-carboxylate","Acta Crystallographica Section E","2013","69","5","o649","","10.1107/S160053681300843X","","","0.71073","MoKα","","0.0621","0.034","","","0.0718","0.0804","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237989","6.1423","0.0012","26.065","0.005","7.1289","0.0014","90","","109.07","0.03","90","","1078.7","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(2<i>H</i>-1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone","","- C10 H11 N3 O2 S -","- C10 H11 N3 O2 S -","- C40 H44 N12 O8 S4 -","4","1","QK2055","de Oliveira, Adriano Bof; de Farias, Renan Lira; Näther, Christian; Jess, Inke; Bresolin, Leandro","1-(2<i>H</i>-1,3-Benzodioxol-5-yl)ethanone thiosemicarbazone","Acta Crystallographica Section E","2013","69","5","o644","","10.1107/S1600536813008398","","","0.71073","MoKα","","0.0435","0.0373","","","0.1021","0.1067","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237990","17.425","0.003","4.5225","0.0008","8.6167","0.0016","90","","90","","90","","679","0.2","200","2","200","2","","","","","","","","3","P c a 21","P 2c -2ac","29","3,4-diaminobenzonitrile","3,4-Diaminobenzonitrile","","- C7 H7 N3 -","- C7 H7 N3 -","- C28 H28 N12 -","4","1","QK2056","Geiger, David K.; Parsons, Dylan E.","An orthorhombic polymorph of 3,4-diaminobenzonitrile","Acta Crystallographica Section E","2013","69","5","o658","","10.1107/S1600536813008489","","","0.71073","MoKα","","0.0334","0.0303","","","0.0785","0.0805","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237991","7.9877","0.0001","8.3523","0.0002","10.8908","0.0002","93.146","0.001","94.605","0.001","112.15","0.001","667.93","0.02","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Bromo-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C15 H10 Br F O2 S -","- C15 H10 Br F O2 S -","- C30 H20 Br2 F2 O4 S2 -","2","1","QK2058","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2013","69","5","o784","","10.1107/S1600536813010519","","","0.71073","MoKα","","0.0295","0.0263","","","0.0662","0.0679","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237992","6.056","0.0012","10.963","0.002","18.554","0.004","90","","98.62","0.03","90","","1217.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","N,N-dimethyldehydroabietylamine hydrochloride ethanol solvate","1-[(1<i>R</i>,4a<i>S</i>,10a<i>R</i>)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl]-<i>N</i>,<i>N</i>-dimethylmethanaminium chloride ethanol monosolvate","","- C24 H42 Cl N O -","- C24 H42 Cl N O -","- C48 H84 Cl2 N2 O2 -","2","1","QK2059","Huang, Xiu-Zhi; Rao, Xiao-Ping; Cui, Yan-Jie","<i>N</i>,<i>N</i>-Dimethyldehydroabietylammonium chloride ethanol monosolvate","Acta Crystallographica Section E","2013","69","6","o959","","10.1107/S1600536813013846","","","0.71073","MoKα","","0.1174","0.0735","","","0.1665","0.1897","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237993","13.747","0.002","5.6695","0.0013","14.28","0.003","90","","106.94","0.02","90","","1064.7","0.4","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","2-[3-(4-Bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-phenyl-1,3-thiazole","","- C24 H17 Br F N3 S -","- C24 H17 Br F N3 S -","- C48 H34 Br2 F2 N6 S2 -","2","1","QM2094","Abdel-Wahab, Bakr F.; Mohamed, Hanan A.; Ng, Seik Weng; Tiekink, Edward R. T.","2-[3-(4-Bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]-4-phenyl-1,3-thiazole","Acta Crystallographica Section E","2013","69","5","o735","","10.1107/S1600536813010039","","","0.71073","MoKα","","0.1329","0.052","","","0.0985","0.136","","","","","","0.954","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237994","5.9131","0.0002","9.5826","0.0003","13.3149","0.0004","96.729","0.001","91.533","0.001","94.503","0.001","746.46","0.04","308","2","308","2","","","","","","","","5","P -1","-P 1","2","","3-Benzoyl-1-[4-(methylsulfanyl)phenyl]thiourea","","- C15 H14 N2 O S2 -","- C15 H14 N2 O S2 -","- C30 H28 N4 O2 S4 -","2","1","QM2097","de Castro, Rosane; Macedo, Jr, Fernando C.; Brito, Tiago O.; Fátima, Angelo de; Sabino, José R.","3-Benzoyl-1-[4-(methylsulfanyl)phenyl]thiourea","Acta Crystallographica Section E","2013","69","6","o923","","10.1107/S1600536813013159","","","0.71073","MoKα","","0.0389","0.0342","","","","0.0989","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237995","6.4164","0.0002","10.8091","0.0003","19.1335","0.0006","96.843","0.003","92.018","0.003","93.901","0.003","1313.25","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(1-Amino-4-<i>tert</i>-butylcyclohexyl)acetic acid hemihydrate","","- C12 H24 N O2.5 -","- C12 H24 N O2.5 -","- C48 H96 N4 O10 -","4","2","QM2098","Ahmad Wani, Naiem; Gupta, Vivek K.; Kant, Rajni; Aravinda, Subrayashastry; Rai, Rajkishor","2-(1-Amino-4-<i>tert</i>-butylcyclohexyl)acetic acid (tBu-β^3,3^-Ac~6~c) hemihydrate","Acta Crystallographica Section E","2013","69","6","o888","","10.1107/S1600536813012725","","","0.71073","MoKα","","0.0941","0.0533","","","0.1213","0.141","","","","","","1.015","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2237996","5.659","0.0007","9.8279","0.0012","14.6732","0.0018","95.258","0.002","95.263","0.002","98.888","0.002","798.21","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-(Propane-1,3-diyl)bis(2-aminobenzamide)","","- C17 H20 N4 O2 -","- C17 H20 N4 O2 -","- C34 H40 N8 O4 -","2","1","RK2394","Sreedasyam, Jagannatha Swamy; Sunkari, Jyothi; Kundha, Shashank; Gundapaneni, Raghava Rao","<i>N</i>,<i>N</i>'-(Propane-1,3-diyl)bis(2-aminobenzamide)","Acta Crystallographica Section E","2013","69","5","o673","","10.1107/S160053681300888X","","","0.71073","MoKα","","0.0565","0.0466","","","0.1164","0.1239","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237997","10.0183","0.0004","12.7374","0.0005","13.2489","0.0005","114.365","0.002","96.96","0.002","92.281","0.002","1521.17","0.11","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1'-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-2',3',5',6',7',7a'-hexahydro-1'<i>H</i>-dispiro[acenaphthylene-1,3'-pyrrolizine-2',3''-chromane]-2,4''(1<i>H</i>)-dione","","- C41 H31 N3 O3 -","- C41 H31 N3 O3 -","- C82 H62 N6 O6 -","2","1","RK2396","Jagadeesan, G.; Kathirvelan, D.; Haribabu, J.; Reddy, B. S. R.; Sethusankar, K.","1'-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-2',3',5',6',7',7a'-hexahydro-1'<i>H</i>-dispiro[acenaphthylene-1,3'-pyrrolizine-2',3''-chromane]-2,4''(1<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","5","o711","","10.1107/S1600536813009562","","","0.71073","MoKα","","0.1144","0.0546","","","0.1291","0.1655","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237998","5.8438","0.0002","18.5756","0.0007","12.2148","0.0005","90","","95.116","0.001","90","","1320.66","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-(1<i>S</i>*,4a<i>S</i>*,8a<i>S</i>*)-4a-Hydroxy-2-methylperhydrospiro[isoquinoline-4,1'-cyclohexan]-2'-one","","- C15 H25 N O2 -","- C15 H25 N O2 -","- C60 H100 N4 O8 -","4","1","RK2397","Siaka, Sorho; Soldatenkov, Anatoly T.; Malkova, Anastasia V.; Soldatova, Svetlana A.; Khrustalev, Victor N.","<i>rac</i>-(1<i>S</i>*,4a<i>S</i>*,8a<i>S</i>*)-4a-Hydroxy-2-methylperhydrospiro[isoquinoline-4,1'-cyclohexan]-2'-one","Acta Crystallographica Section E","2013","69","5","o628","","10.1107/S1600536813007010","","","0.71073","MoKα","","0.0461","0.0368","","","0.0968","0.1015","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2237999","8.0063","0.0006","10.6688","0.0008","20.3796","0.0015","90","","97.458","0.001","90","","1726.1","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Fluorobenzoyl)-3-phenyl-3,4-dihydronaphthalen-1(2<i>H</i>)-one","","- C23 H17 F O2 -","- C23 H17 F O2 -","- C92 H68 F4 O8 -","4","1","RK2398","Zhang, Hao; Hu, Yi-Min","4-(4-Fluorobenzoyl)-3-phenyl-3,4-dihydronaphthalen-1(2<i>H</i>)-one","Acta Crystallographica Section E","2013","69","5","o678","","10.1107/S1600536813008829","","","0.71073","MoKα","","0.0551","0.0436","","","0.1084","0.1171","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238000","13.939","0.005","12.37","0.005","15.321","0.005","90","","90.646","0.005","90","","2641.6","1.7","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","Bis(2,3-dimethoxy-10-oxostrychnidinium) phthalate nonahydrate","","- C54 H76 N4 O21 -","- C54 H76 N4 O21 -","- C108 H152 N8 O42 -","2","0.5","RK2399","Krishnan, P.; Gayathri, K.; Sivakumar, N.; Gunasekaran, B.; Anbalagan, G.","Bis(2,3-dimethoxy-10-oxostrychnidinium) phthalate nonahydrate","Acta Crystallographica Section E","2013","69","6","o870","","10.1107/S160053681301204X","","","0.71073","MoKα","","0.0701","0.0488","","","0.1119","0.1251","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238001","7.8033","0.0006","25.524","0.002","9.9776","0.0005","90","","128.671","0.004","90","","1551.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","12-Dimethylamino-2,2-difluoro-8-phenyl-1λ^5^,3-diaza-2λ^4^-boratricyclo[7.3.0.0^3,7^]dodeca-1(12),4,6,8,10-pentaen-1-ylium","","- C17 H16 B F2 N3 -","- C17 H16 B F2 N3 -","- C68 H64 B4 F8 N12 -","4","1","RK2400","Wang, Zhao-Yun","12-Dimethylamino-2,2-difluoro-8-phenyl-1λ^5^,3-diaza-2λ^4^-boratricyclo[7.3.0.0^3,7^]dodeca-1(12),4,6,8,10-pentaen-1-ylium","Acta Crystallographica Section E","2013","69","5","o781","","10.1107/S1600536813010404","","","0.71073","MoKα","","0.0563","0.041","","","0.1078","0.1193","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238002","8.1406","0.0002","8.7328","0.0002","21.4351","0.0005","90","","95.97","0.001","90","","1515.56","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,5'-(Ethyne-1,2-diyl)diisophthalic acid dimethyl sulfoxide tetrasolvate","","- C26 H34 O12 S4 -","- C26 H34 O12 S4 -","- C52 H68 O24 S8 -","2","0.5","RK2402","Münch, Alexander S.; Katzsch, Felix; Weber, Edwin; Mertens, Florian O. R. L.","5,5'-(Ethyne-1,2-diyl)diisophthalic acid dimethyl sulfoxide tetrasolvate","Acta Crystallographica Section E","2013","69","6","o908","o909","10.1107/S1600536813013068","","","0.71073","MoKα","","0.0244","0.0235","","","0.0584","0.0589","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238003","5.5649","0.0008","7.929","0.001","21.778","0.004","86.26","0.012","83.596","0.012","70.739","0.01","901.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-{[3-Chloro-4-(4-chlorophenoxy)phenyl]iminomethyl}-4-nitrophenol","","- C19 H12 Cl2 N2 O4 -","- C19 H12 Cl2 N2 O4 -","- C38 H24 Cl4 N4 O8 -","2","1","RN2114","Karadayı, Nevzat; Köysal, Yavuz; Şahin, Songül; Coşkun, Emine; Büyükgüngör, Orhan","2-{[3-Chloro-4-(4-chlorophenoxy)phenyl]iminomethyl}-4-nitrophenol","Acta Crystallographica Section E","2013","69","6","o889","","10.1107/S1600536813012518","","","0.71073","MoKα","","0.1526","0.0677","","","0.144","0.1863","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238004","9.3664","0.0001","9.3664","0.0001","16.2981","0.0002","90","","90","","120","","1238.26","0.02","100","2","100","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Trisodium potassium dodecamolybdenum tetradecasulfide","","- K Mo12 Na2.9 S14 -","- K Mo12 Na2.9 S14 -","- K2 Mo24 Na5.8 S28 -","2","0.166667","RU2051","Gougeon, Patrick; Gall, Philippe; Salloum, Diala","Na~2.9~KMo~12~S~14~: a novel quaternary reduced molybdenum sulfide containing Mo~12~ clusters with a channel structure","Acta Crystallographica Section E","2013","69","6","i38","","10.1107/S1600536813013603","","","0.71069","MoKα","","0.0306","0.0273","","","0.0695","0.0725","","","","","","1.132","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238005","7.8592","0.0018","21.243","0.005","13.941","0.003","90","","105.141","0.003","90","","2246.7","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,8-bis(4-fluorobenzoyl)-2,7-diethoxynaphthalene","[2,7-Diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl](4-fluorophenyl)methanone","","- C28 H22 F2 O4 -","- C28 H22 F2 O4 -","- C112 H88 F8 O16 -","4","1","RZ5052","Mouri, Saki; Hijikata, Daichi; Isozaki, Katsuhiro; Yonezawa, Noriyuki; Okamoto, Akiko","[2,7-Diethoxy-8-(4-fluorobenzoyl)naphthalen-1-yl](4-fluorophenyl)methanone","Acta Crystallographica Section E","2013","69","5","o637","","10.1107/S1600536813008295","","","0.7107","MoKα","","0.0411","0.0364","","","0.1022","0.1078","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238006","27.251","0.004","7.4457","0.0006","11.99","0.009","90","","90","","90","","2432.8","1.9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C112 H80 N16 O24 -","8","1","RZ5053","Centore, Roberto; Piccialli, Vincenzo; Tuzi, Angela","2-(4-Methylphenyl)-6-nitro-1,3-benzoxazole","Acta Crystallographica Section E","2013","69","5","o667","o668","10.1107/S1600536813008970","","","0.71073","Mokα","","0.1687","0.0554","","","0.1378","0.1675","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238007","9.6314","0.0005","16.6596","0.0009","10.0749","0.0005","90","","98.097","0.003","90","","1600.46","0.14","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","3-[2-(3-Phenyl-2-oxo-1,2-dihydroquinoxalin-1-yl)ethyl]-1,3-oxazolidin-2-one","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C76 H68 N12 O12 -","4","1","RZ5054","Daouda, Ballo; Doumbia, Mouhamadou Lamine; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","3-[2-(3-Phenyl-2-oxo-1,2-dihydroquinoxalin-1-yl)ethyl]-1,3-oxazolidin-2-one","Acta Crystallographica Section E","2013","69","5","o662","","10.1107/S1600536813008702","","","0.71073","MoKα","","0.0459","0.038","","","0.0925","0.0973","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238008","4.6311","0.001","16.596","0.004","15.897","0.003","90","","98.321","0.004","90","","1208.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Isopropyl 3-phenylisoxazole-5-carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","RZ5055","Wang, Li; Liu, Xue-Ying; Li, Zheng-Wei; Zhang, Sheng-Yong","Isopropyl 3-phenylisoxazole-5-carboxylate","Acta Crystallographica Section E","2013","69","5","o733","","10.1107/S1600536813009392","","","0.71073","MoKα","","0.0688","0.0458","","","0.1112","0.1259","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238009","6.5993","0.0002","12.6166","0.0004","13.8702","0.0005","90","","100.131","0.002","90","","1136.84","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-Chloro-5-methyl-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidine","","- C13 H10 Cl N3 -","- C13 H10 Cl N3 -","- C52 H40 Cl4 N12 -","4","1","RZ5056","Bassoude, Ibtissam; Berteina-Raboin, Sabine; Essassi, El Mokhtar; Guillaumet, Gérald; El Ammari, Lahcen","7-Chloro-5-methyl-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidine","Acta Crystallographica Section E","2013","69","5","o749","","10.1107/S1600536813009896","","","0.71073","MoKα","","0.0412","0.0346","","","0.0974","0.1029","","","","","","1.062","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238010","8.0542","0.0008","16.4104","0.0019","21.635","0.002","90","","90","","90","","2859.6","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethyl 7-methyl-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidine-5-carboxylate","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C128 H120 N24 O16 -","8","1","RZ5057","Bassoude, Ibtissam; Berteina-Raboin, Sabine; Essassi, El Mokhtar; Guillaumet, Gérald; El Ammari, Lahcen","Ethyl 7-methyl-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidine-5-carboxylate","Acta Crystallographica Section E","2013","69","5","o740","","10.1107/S1600536813009902","","","0.71073","MoKα","","0.0801","0.052","","","0.1475","0.1697","","","","","","1.039","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238011","6.686","0.0002","23.3658","0.0007","24.3281","0.0008","90","","90","","90","","3800.6","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[[bis(2-methoxyaniline-κ<i>N</i>)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","","- C16 H18 Cd N4 O2 S2 -","- C16 H18 Cd N4 O2 S2 -","- C128 H144 Cd8 N32 O16 S16 -","8","1","RZ5058","Chemli, Rakia; Kamoun, Slaheddine; Roisnel, Thierry","<i>catena</i>-Poly[[bis(2-methoxyaniline-κ<i>N</i>)cadmium]-di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>]","Acta Crystallographica Section E","2013","69","5","m292","m293","10.1107/S1600536813010738","","","0.71073","MoKα","","0.0379","0.0253","","","0.0504","0.055","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238012","9.8102","0.0006","7.2915","0.0004","27.0162","0.0014","90","","92.942","0.003","90","","1929.95","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Bromo-4-methylphenyl)-2-(5-methyl-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetamide","","- C22 H19 Br N4 O -","- C22 H19 Br N4 O -","- C88 H76 Br4 N16 O4 -","4","1","RZ5060","Bassoude, Ibtissam; Berteina-Raboin, Sabine; Essassi, El Mokhtar; Guillaumet, Gérald; El Ammari, Lahcen","<i>N</i>-(2-Bromo-4-methylphenyl)-2-(5-methyl-2-phenylpyrazolo[1,5-<i>a</i>]pyrimidin-7-yl)acetamide","Acta Crystallographica Section E","2013","69","6","o829","","10.1107/S1600536813011811","","","0.71073","MoKα","","0.089","0.041","","","0.0924","0.1065","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238013","18.6882","0.0011","10.742","0.0006","6.3186","0.0004","90","","90","","90","","1268.45","0.13","100","","100","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","(<i>E</i>)-4-Ethoxy-4'-hydroxy-aza-stilbene","4-[(<i>E</i>)-(4-Ethoxybenzylidene)amino]phenol","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","RZ5061","Kaewmanee, Narissara; Chantrapromma, Suchada; Boonnak, Nawong; Fun, Hoong-Kun","4-[(<i>E</i>)-(4-Ethoxybenzylidene)amino]phenol","Acta Crystallographica Section E","2013","69","6","o903","o904","10.1107/S1600536813012580","","","0.71073","MoKα","","0.0312","0.0301","","","0.0831","0.0859","","","","","","1.101","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238014","19.7213","0.0002","6.4245","0.0002","6.7197","0.0006","90","","90","","90","","851.38","0.08","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","3-Amino-5,6-dimethyl-1,2,4-triazin-2-ium nitrate","","- C5 H9 N5 O3 -","- C5 H9 N5 O3 -","- C20 H36 N20 O12 -","4","0.5","RZ5062","Bel Haj Salah, Souhir; Mrad, Mohamed Lahbib; Ferretti, Valeria; Lefebvre, Frederic; Ben Nasr, Cherif","3-Amino-5,6-dimethyl-1,2,4-triazin-2-ium nitrate","Acta Crystallographica Section E","2013","69","6","o844","","10.1107/S1600536813012026","","","0.71073","MoKα","","0.0602","0.0487","","","0.1478","0.1605","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238015","14.0516","0.0006","7.7446","0.0003","12.5113","0.0005","90","","113.727","0.001","90","","1246.44","0.09","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-(4-methylbenzylidene)malonate","","- C13 H14 O4 -","- C13 H14 O4 -","- C52 H56 O16 -","4","1","RZ5063","Barakat, Assem; Al-Majid, Abdullah Mohammed; Mabkhot, Yahia Nasser; Choudhary, M. Iqbal; Yousuf, Sammer","Dimethyl 2-(4-methylbenzylidene)malonate","Acta Crystallographica Section E","2013","69","6","o919","","10.1107/S1600536813012464","","","0.71073","MoKα","","0.0569","0.0454","","","0.1247","0.136","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238016","6.493","0.0002","29","0.0008","9.2854","0.0004","90","","110.454","0.001","90","","1638.18","0.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-10,10-Dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","","- C17 H26 Cl2 -","- C17 H26 Cl2 -","- C68 H104 Cl8 -","4","2","RZ5066","Benharref, Ahmed; Ourhriss, Najia; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-10,10-Dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","Acta Crystallographica Section E","2013","69","6","o933","o934","10.1107/S1600536813013457","","","0.71073","MoKα","","0.0532","0.0498","","","0.1215","0.1233","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238017","10.217","0.003","7.848","0.003","11.369","0.003","90","","97.316","0.004","90","","904.2","0.5","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-Methyl-3-(10<i>H</i>-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile","","- C21 H11 N5 S -","- C21 H11 N5 S -","- C42 H22 N10 S2 -","2","1","SJ5308","Okuno, Tsunehisa; Iwahashi, Hirokazu","2-Methyl-3-(10<i>H</i>-phenothiazin-10-yl)buta-1,3-diene-1,1,4,4-tetracarbonitrile","Acta Crystallographica Section E","2013","69","5","o665","","10.1107/S1600536813008799","","","0.71075","MoKα","","","0.0317","","","","0.0778","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238018","5.285","0.0007","10.6663","0.0012","16.505","0.002","86.454","0.007","83.424","0.008","89.376","0.007","922.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-oxo-3-(3-phthalimidopropyl)-2,3-dihydro-1<i>H</i>-1,3-benzimidazole-1-carboxylate","","- C21 H19 N3 O5 -","- C21 H19 N3 O5 -","- C42 H38 N6 O10 -","2","1","SJ5310","Belaziz, Dounia; Kandri Rodi, Youssef; Kandri Rodi, Adiba; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","Ethyl 2-oxo-3-(3-phthalimidopropyl)-2,3-dihydro-1<i>H</i>-1,3-benzimidazole-1-carboxylate","Acta Crystallographica Section E","2013","69","5","o641","o642","10.1107/S1600536813008325","","","0.71073","MoKα","","0.0759","0.0509","","","0.1282","0.145","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238019","4.6185","0.0003","7.7741","0.0007","17.1188","0.0012","100.278","0.007","94.25","0.006","105.001","0.007","579.47","0.08","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","2-(3,4-Dichlorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","","- C11 H8 Cl2 N2 O S -","- C11 H8 Cl2 N2 O S -","- C22 H16 Cl4 N4 O2 S2 -","2","1","SJ5311","Nayak, Prakash S.; Narayana, B.; Yathirajan, H. S.; Jasinski, Jerry P.; Butcher, Ray J.","2-(3,4-Dichlorophenyl)-<i>N</i>-(1,3-thiazol-2-yl)acetamide","Acta Crystallographica Section E","2013","69","5","o645","o646","10.1107/S1600536813008374","","","0.71073","MoKα","","0.0948","0.0473","","","0.1084","0.1179","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238020","9.2543","0.0004","18.1387","0.0007","12.5147","0.0005","90","","105.026","0.002","90","","2028.9","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 5''-chloro-1',1''-dimethyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","","- C22 H20 Cl N3 O4 -","- C22 H20 Cl N3 O4 -","- C88 H80 Cl4 N12 O16 -","4","1","SJ5312","Kannan, Piskala Subburaman; Yuvaraj, PanneerSelvam; Manivannan, Karthikeyan; Reddy, Boreddy Siva Rami; SubbiahPandi, Arunachalathevar","Methyl 5''-chloro-1',1''-dimethyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxylate","Acta Crystallographica Section E","2013","69","6","o825","o826","10.1107/S1600536813011501","","","0.71073","MoKα","","0.0598","0.0414","","","0.1098","0.1249","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238021","7.7748","0.0003","11.1557","0.0005","12.1205","0.0005","110.738","0.004","97.688","0.004","104.331","0.005","923.67","0.08","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","<i>trans</i>-Dichloridotetrakis[(dimethylphosphoryl)methanaminium-κ<i>O</i>]cobalt(II) bis[tetrachloridocobaltate(II)]","","- C12 H44 Cl10 Co3 N4 O4 P4 -","- C12 H44 Cl10 Co3 N4 O4 P4 -","- C12 H44 Cl10 Co3 N4 O4 P4 -","1","0.5","SJ5313","Reiss, Guido J.","<i>trans</i>-Dichloridotetrakis[(dimethylphosphoryl)methanaminium-κ<i>O</i>]cobalt(II) tetrachloridocobaltate(II)","Acta Crystallographica Section E","2013","69","5","m248","m249","10.1107/S1600536813008945","","","0.71073","MoKα","","0.0211","0.0183","","","0.0405","0.0416","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238022","9.5061","0.0006","11.2152","0.0007","12.7752","0.0007","90","","101.823","0.004","90","","1333.11","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-[4-Acetyl-5-(4-fluorophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide","","- C12 H12 F N3 O2 S -","- C12 H12 F N3 O2 S -","- C48 H48 F4 N12 O8 S4 -","4","1","SJ5314","Kavitha, H. D.; Marganakop, Sheetal B.; Kamble, Ravindra R.; Roopashree, K. R.; Devarajegowda, H. C.","<i>N</i>-[4-Acetyl-5-(4-fluorophenyl)-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide","Acta Crystallographica Section E","2013","69","5","o701","o702","10.1107/S1600536813009367","","","0.71073","MoKα","","0.0466","0.0407","","","0.1175","0.1214","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238023","7.678","0.005","9.612","0.005","10.86","0.005","77.208","0.005","74.117","0.004","81.522","0.005","748.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Methoxybenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C17 H15 N O2 S -","- C17 H15 N O2 S -","- C34 H30 N2 O4 S2 -","2","1","SJ5315","Selvakumar, R.; Bakthadoss, M.; Vijayakumar, S.; Murugavel, S.","3-(4-Methoxybenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2013","69","5","o693","","10.1107/S1600536813009215","","","0.71073","MoKα","","0.0725","0.045","","","0.1175","0.1339","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238024","10.6095","0.0005","12.387","0.0004","14.6878","0.0004","101.376","0.003","93.421","0.003","101.996","0.003","1840.79","0.12","99.95","0.1","99.95","0.1","","","","","","","","6","P 1","P 1","1","","(</i>S</i>)-α-Benzylprolinium <i>cis</i>-[(</i>S</i>)-α-benzylprolinato]dichloridopalladium(II)","","- C24 H30 Cl2 N2 O4 Pd -","- C24 H30 Cl2 N2 O4 Pd -","- C72 H90 Cl6 N6 O12 Pd3 -","3","3","SJ5316","Hobart, Jr, David B.; Merola, Joseph S.","(<i>S</i>)-α-Benzylprolinium <i>cis</i>-[(<i>S</i>)-α-benzylprolinato]dichloridopalladium(II)","Acta Crystallographica Section E","2013","69","5","m261","m262","10.1107/S1600536813009525","","","0.71073","MoKα","","0.047","0.0388","","","0.0779","0.0823","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238025","10.045","0.002","10.393","0.002","11.028","0.002","99.42","0.03","101.97","0.03","98.56","0.03","1091","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')nickel(II) 2.5-hydrate","","- C20 H21 N4 Ni O6.5 S -","- C20 H21 N4 Ni O6.5 S -","- C40 H42 N8 Ni2 O13 S2 -","2","1","SJ5321","Iskenderov, Turganbay","Bis(2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')nickel(II) 2.5-hydrate","Acta Crystallographica Section E","2013","69","6","m347","m348","10.1107/S1600536813014219","","","0.71073","MoKα","","0.0561","0.0423","","","0.1157","0.1242","","","","","","1.07","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238026","9.9587","0.0003","10.5458","0.0003","11.0885","0.0003","100.887","0.001","105.891","0.001","107.889","0.001","1017.38","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(Adipato-κ^2^<i>O</i>,<i>O</i>')diaqua[bis(pyridin-2-yl-κ<i>N</i>)amine]cobalt(II) trihydrate","","- C16 H27 Co N3 O9 -","- C16 H27 Co N3 O9 -","- C32 H54 Co2 N6 O18 -","2","1","SJ5322","Setifi, Zouaoui; Setifi, Fatima; Smith, Graham; El-Ghozzi, Malika; Rouag, Djamil-Azzeddine; Avignant, Daniel; Merazig, Hocine","(Adipato-κ^2^<i>O</i>,<i>O</i>')diaqua[bis(pyridin-2-yl-κ<i>N</i>)amine]cobalt(II) trihydrate","Acta Crystallographica Section E","2013","69","6","m335","m336","10.1107/S1600536813012981","","","0.71073","MoKα","","0.0388","0.0298","","","0.0894","0.0973","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238027","4.8935","0.0005","5.8995","0.0006","42.572","0.004","90","","90","","90","","1229","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-(4-Chlorophenyl)-<i>N</i>-(3,4-difluorophenyl)acetamide","","- C14 H10 Cl F2 N O -","- C14 H10 Cl F2 N O -","- C56 H40 Cl4 F8 N4 O4 -","4","1","SJ5323","Praveen, A. S.; Yathirajan, H. S.; Jasinski, Jerry P.; Keeley, Amanda C.; Narayana, B.; Sarojini, B. K.","2-(4-Chlorophenyl)-<i>N</i>-(3,4-difluorophenyl)acetamide","Acta Crystallographica Section E","2013","69","6","o996","o997","10.1107/S1600536813014165","","","1.5418","CuKα","","0.0444","0.0423","","","0.11","0.1109","","","","","","1.144","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238028","7.15","0.0003","8.377","0.0003","11.089","0.0005","74.748","0.0014","79.309","0.0014","86.286","0.003","629.58","0.05","290","2","290","2","","","","","","","","5","P -1","-P 1","2","","2-({1-[2-(Methylsulfanyl)phenyl]-1<i>H</i>-tetrazol-5-yl}sulfanyl)acetic acid","","- C10 H10 N4 O2 S2 -","- C10 H10 N4 O2 S2 -","- C20 H20 N8 O4 S4 -","2","1","SU2571","Mafud, Ana C.; Mascarenhas, Yvonne P.; Nascimento, Alessandro S.","2-({1-[2-(Methylsulfanyl)phenyl]-1<i>H</i>-tetrazol-5-yl}sulfanyl)acetic acid","Acta Crystallographica Section E","2013","69","5","o759","","10.1107/S160053681300980X","","","0.71073","MoKα","","","0.0511","","","","0.15","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238029","9.716","0.004","10.69","0.004","27.017","0.01","90","","92.317","0.004","90","","2803.8","1.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>-Diphenyl-4-{3,11,14-triazatetracyclo[11.4.0.0^2,6^.0^7,12^]heptadeca-1(13),2(6),4,7(12),8,10,14,16-octaen-4-yl}aniline","<i>N</i>,<i>N</i>-Diphenyl-4-(1<i>H</i>-pyrrolo[1,2-<i>f</i>][1,10]phenanthrolin-2-yl)aniline ethanol monosolvate","","- C34 H27 N4 O -","- C34 H27 N4 O -","- C136 H108 N16 O4 -","4","1","SU2573","Luo, Jun-Shan; Zhang, Yan-Yan; Liu, Zhao-Di; Tian, Yu-Peng","<i>N</i>,<i>N</i>-Diphenyl-4-(1<i>H</i>-pyrrolo[1,2-<i>f</i>][1,10]phenanthrolin-2-yl)aniline ethanol monosolvate","Acta Crystallographica Section E","2013","69","5","o675","o676","10.1107/S1600536813008477","","","0.71073","MoKα","","0.0837","0.0646","","","0.186","0.2099","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238030","10.7611","0.0005","14.3742","0.0007","11.6657","0.0006","90","","110.107","0.003","90","","1694.5","0.15","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1<i>S</i>,3'<i>S</i>,3a'<i>R</i>,6'<i>S</i>)-6'-(2-Chlorophenyl)-3'-[(2<i>R</i>,3<i>S</i>)-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-2-oxo-3',3'a,4',6'-tetrahydro-2<i>H</i>,2'<i>H</i>-spiro[acenaphthylene-1,1'-pyrrolo[1,2-<i>c</i>][1,3]thiazole]-2',2'-dicarbonitrile","","- C41 H29 Cl N4 O3 S -","- C41 H29 Cl N4 O3 S -","- C82 H58 Cl2 N8 O6 S2 -","2","1","SU2576","Devi, Seenivasan Karthiga; Srinivasan, Thothadri; Rajesh, Raju; Raghunathan, Raghavachary; Velmurugan, Devadasan","(1<i>S</i>,3'<i>S</i>,3a'<i>R</i>,6'<i>S</i>)-6'-(2-Chlorophenyl)-3'-[(2<i>R</i>,3<i>S</i>)-1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-2-oxo-3',3'a,4',6'-tetrahydro-2<i>H</i>,2'<i>H</i>-spiro[acenaphthylene-1,1'-pyrrolo[1,2-<i>c</i>][1,3]thiazole]-2',2'-dicarbonitrile","Acta Crystallographica Section E","2013","69","5","o750","o751","10.1107/S1600536813009276","","","0.71073","MoKα","","0.0768","0.0446","","","0.0979","0.1139","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238031","12.945","0.009","7.857","0.005","14.497","0.01","90","","113.384","0.008","90","","1353.4","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[(<i>E</i>)-4-Bromobenzylidene]-2,3-dimethylaniline","","- C15 H14 Br N -","- C15 H14 Br N -","- C60 H56 Br4 N4 -","4","1","SU2578","Sun, Li-Xia; Zhu, Ling-Zhi; Wang, Jun-Kai","<i>N</i>-[(<i>E</i>)-4-Bromobenzylidene]-2,3-dimethylaniline","Acta Crystallographica Section E","2013","69","5","o630","","10.1107/S1600536813008088","","","0.71073","MoKα","","0.1321","0.0424","","","0.0843","0.1118","","","","","","0.939","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238032","14.868","0.007","6.161","0.003","28.609","0.013","90","","90","","90","","2621","2","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","<i>N</i>-[(<i>E</i>)-4-Bromobenzylidene]-3,4-dimethylaniline","","- C15 H14 Br N -","- C15 H14 Br N -","- C120 H112 Br8 N8 -","8","1","SU2579","Sun, Li-Xia; Zhu, Ling-Zhi; Wang, Jun-Kai","<i>N</i>-[(<i>E</i>)-4-Bromobenzylidene]-3,4-dimethylaniline","Acta Crystallographica Section E","2013","69","5","o631","","10.1107/S1600536813008143","","","0.71073","MoKα","","0.1124","0.0577","","","0.125","0.1483","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238033","15.1203","0.0003","21.1088","0.0005","15.6334","0.0003","90","","112.977","0.001","90","","4593.86","0.17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Methyl (3<i>S</i>,10b'<i>S</i>)-5-chloro-9'-fluoro-1-methyl-2-oxo-5'-phenyl-10b'<i>H</i>-spiro[indoline-3,1'-pyrazolo[3,2-<i>a</i>]isoquinoline]-2'-carboxylate","","- C27 H19 Cl F N3 O3 -","- C27 H19 Cl F N3 O3 -","- C216 H152 Cl8 F8 N24 O24 -","8","1","SU2581","Kannan, Piskala Subburaman; Yuvaraj, PanneerSelvam; Reddy, Boreddy Siva Rami; Raja, Rajamani; SubbiahPandi, Arunachalathevar","Methyl (3<i>S</i>,10b'<i>S</i>)-5-chloro-9'-fluoro-1-methyl-2-oxo-5'-phenyl-10b'<i>H</i>-spiro[indoline-3,1'-pyrazolo[3,2-<i>a</i>]isoquinoline]-2'-carboxylate","Acta Crystallographica Section E","2013","69","6","o823","o824","10.1107/S1600536813011549","","","0.71073","MoKα","","0.0597","0.0413","","","0.1073","0.1232","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238034","19.1388","0.0007","10.7716","0.0004","10.0707","0.0003","90","","104.668","0.002","90","","2008.47","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-nitropyridinium trifluoroacetate","","- C14 H12 F6 N6 O8 -","- C14 H12 F6 N6 O8 -","- C56 H48 F24 N24 O32 -","4","1","SU2582","Jovita, Josephine Viavulamary; Sathya, Shanmugam; Usha, Govindasamy; Vasanthi, Ramachandran; Ezhilarasi, Krishnan Sarada","2-Amino-5-nitropyridinium trifluoroacetate","Acta Crystallographica Section E","2013","69","6","o841","o842","10.1107/S1600536813011896","","","0.71073","MoKα","","0.0605","0.0418","","","0.1052","0.1175","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238035","15.489","0.005","16.422","0.005","11.684","0.005","90","","110.646","0.005","90","","2781.1","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>Z</i>)-3-(2-Aminoanilino)-1-phenylbut-2-en-1-one","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C128 H128 N16 O8 -","8","1","SU2583","Karthikeyan, Subramani; Srinivasan, Thothadri; Sundaravadivel, Elumalai; Kandaswamy, Muthusamy; Velmurugan, Devadasan","(<i>Z</i>)-3-(2-Aminoanilino)-1-phenylbut-2-en-1-one","Acta Crystallographica Section E","2013","69","5","o780","","10.1107/S160053681301060X","","","0.71073","MoKα","","0.074","0.0498","","","0.1337","0.1522","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238036","17.188","0.0011","4.1124","0.0003","19.6699","0.0013","90","","106.289","0.004","90","","1334.54","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-3-[4-(Difluoromethoxy)-3-hydroxyphenyl]-1-phenylprop-2-en-1-one","","- C16 H12 F2 O3 -","- C16 H12 F2 O3 -","- C64 H48 F8 O12 -","4","1","SU2584","Srinivasan, Thothadri; Senthilkumar, Govindaraj; Neelakandan, Kaliaperumal; Manikandan, Haridoss; Velmurugan, Devadasan","(<i>E</i>)-3-[4-(Difluoromethoxy)-3-hydroxyphenyl]-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2013","69","5","o812","","10.1107/S1600536813011288","","","0.71073","MoKα","","0.0588","0.0413","","","0.1063","0.1204","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238037","9.769","0.0007","10.425","0.0007","14.283","0.001","96.626","0.002","91.903","0.002","91.164","0.002","1443.67","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1-(4-methylphenyl)-1<i>H</i>-pyrazol-5-amine","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","2","SU2585","Gajera, Nilesh N.; Patel, Mukesh C.; Jotani, Mukesh M.; Tiekink, Edward R. T.","4-(2<i>H</i>-1,3-Benzodioxol-5-yl)-1-(4-methylphenyl)-1<i>H</i>-pyrazol-5-amine","Acta Crystallographica Section E","2013","69","5","o736","o737","10.1107/S1600536813009914","","","0.71069","MoKα","","0.0686","0.0448","","","0.1183","0.1358","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238038","14.429","0.003","10.162","0.002","8.3313","0.0018","90","","90","","90","","1221.6","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","8,15-Dioxa-10,13-diazatetracyclo[14.4.0.0^2,7^.0^9,14^]icosa-1(16),2,4,6,9(14),10,12,17,19-nonaene","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C64 H40 N8 O8 -","4","0.5","SU2586","Srinivasan, Thothadri; Kalpana, Venkatesan; Rajakumar, Perumal; Velmurugan, Devadasan","8,15-Dioxa-10,13-diazatetracyclo[14.4.0.0^2,7^.0^9,14^]icosa-1(16),2,4,6,9(14),10,12,17,19-nonaene","Acta Crystallographica Section E","2013","69","5","o813","o814","10.1107/S1600536813011318","","","0.71073","MoKα","","0.0411","0.0325","","","0.0972","0.1058","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238039","3.9207","0.0002","14.9355","0.0004","18.1494","0.0005","90","","90","","90","","1062.79","0.07","294","2","294","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","9-[<i>N</i>-(carbazol-9-yl)(carbothioyldisulfanyl)carbothioyl]carbazole","9<i>H</i>-Carbazole-9-carbothioic dithioperoxyanhydride","","- C26 H16 N2 S4 -","- C26 H16 N2 S4 -","- C52 H32 N4 S8 -","2","0.5","SU2587","Uludağ, Nesimi; Ateş, Murat; Çaylak Delibaş, Nagihan; Çelik, Ömer; Hökelek, Tuncer","9<i>H</i>-Carbazole-9-carbothioic dithioperoxyanhydride","Acta Crystallographica Section E","2013","69","5","o771","","10.1107/S1600536813010349","","","0.71073","MoKα","","0.1358","0.0718","","","0.1424","0.1564","","","","","","1.41","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238040","20.427","0.0011","13.5433","0.0005","11.4259","0.0005","90","","109.561","0.005","90","","2978.5","0.3","200","1","200","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-[(3,3-Dimethylindolin-2-ylidene)methyl]-4-[(3,3-dimethyl-3<i>H</i>-indol-1-ium-2-yl)methylidene]-3-oxocyclobut-1-en-1-olate chloroform disolvate","","- C28 H26 Cl6 N2 O2 -","- C28 H26 Cl6 N2 O2 -","- C112 H104 Cl24 N8 O8 -","4","0.5","SU2588","Smith, Graham; Lynch, Daniel E.","2-[(3,3-Dimethylindolin-2-ylidene)methyl]-4-[(3,3-dimethyl-3<i>H</i>-indol-1-ium-2-yl)methylidene]-3-oxocyclobut-1-en-1-olate chloroform disolvate","Acta Crystallographica Section E","2013","69","5","o786","o787","10.1107/S1600536813010386","","","0.71073","MoKα","","0.0553","0.0438","","","0.1042","0.1124","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238041","5.27","0.0002","7.3691","0.0003","38.2042","0.0014","90","","90","","90","","1483.67","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>L</i>-Histidinium <i>p</i>-toluenesulfonate","","- C13 H17 N3 O5 S -","- C13 H17 N3 O5 S -","- C52 H68 N12 O20 S4 -","4","1","SU2589","Muralidharan, Srinivasan; Nagapandiselvi, Perumal; Srinivasan, Thothadri; Gopalakrishnan, Rengasamy; Velmurugan, Devadasan","<small>L</small>-Histidinium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2013","69","5","o804","","10.1107/S1600536813011161","","","0.71073","MoKα","","0.0394","0.0382","","","0.0934","0.094","","","","","","1.195","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238042","12.2049","0.0003","9.8463","0.0002","11.5405","0.0002","90","","107.106","0.001","90","","1325.51","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-4-methylpyridinium 2-nitrobenzoate","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C52 H52 N12 O16 -","4","1","SU2590","Muralidharan, Srinivasan; Elavarasu, Narayanan; Srinivasan, Thothadri; Gopalakrishnan, Rengasamy; Velmurugan, Devadasan","2-Amino-4-methylpyridinium 2-nitrobenzoate","Acta Crystallographica Section E","2013","69","6","o910","","10.1107/S1600536813012919","","","0.71073","MoKα","","0.0508","0.0406","","","0.1158","0.1249","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238043","20.958","0.005","12.048","0.003","15.403","0.003","90","","95.483","0.003","90","","3871.5","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{2-[2,5-bis(pyridin-2-yl)-1<i>H</i>-imidazol-4-yl]pyridinium} tetracyanidoplatinate(II) tetrahydrate","","- C40 H36 N14 O4 Pt -","- C40 H36 N14 O4 Pt -","- C160 H144 N56 O16 Pt4 -","4","0.5","SU2593","Gámez-Heredia, Raquel; Navarro, Rosa E.; Höpfl, Herbert; Cruz-Enríquez, Adriana; Campos-Gaxiola, José J.","Bis{2-[2,5-bis(pyridin-2-yl)-1<i>H</i>-imidazol-4-yl]pyridinium} tetracyanidoplatinate(II) tetrahydrate","Acta Crystallographica Section E","2013","69","6","m300","m301","10.1107/S1600536813011665","","","0.71073","MoKα","","0.0377","0.0318","","","0.077","0.0782","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238044","26.942","0.007","6.3479","0.0017","17.579","0.005","90","","113.985","0.004","90","","2746.8","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(4-Hydroxyphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium methanol hemisolvate","","- C16.5 H14 N2 O2.5 -","- C16.5 H14 N2 O2.5 -","- C132 H112 N16 O20 -","8","1","SU2594","Benaouida, Mohamed Amine; Chetioui, Souheyla; Bouaoud, Salah Eddine","1-(4-Hydroxyphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium methanol hemisolvate","Acta Crystallographica Section E","2013","69","6","o867","o868","10.1107/S1600536813012245","","","0.71073","MoKα","","0.1035","0.0524","","","0.128","0.1539","","","","","","1.029","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238045","7.7658","0.0004","11.0901","0.0004","18.8261","0.0008","90","","113.575","0.004","90","","1486.05","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Aquatrimethyl[2-(4-methylpyrimidin-2-ylsulfanyl)acetato-κ<i>O</i>]tin(IV)","","- C10 H18 N2 O3 S Sn -","- C10 H18 N2 O3 S Sn -","- C40 H72 N8 O12 S4 Sn4 -","4","1","SU2595","Gao, Zhiqing; Zhang, Junhong; Hao, Xuyi; Wang, Daqi; Zhang, Tingting","Aquatrimethyl[2-(4-methylpyrimidin-2-ylsulfanyl)acetato-κ<i>O</i>]tin(IV)","Acta Crystallographica Section E","2013","69","6","m313","","10.1107/S1600536813012622","","","1.54184","CuKα","","0.0591","0.047","","","0.1171","0.1318","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238046","9.9858","0.0005","17.883","0.0008","10.2054","0.0004","90","","94.663","0.002","90","","1816.41","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","8,13,26-Trioxa-23-thia-21-azapentacyclo[18.6.0.0^2,7^.0^14,19^.0^21,25^]hexacosa-2(7),3,5,14,16,18-hexaene","","- C21 H23 N O3 S -","- C21 H23 N O3 S -","- C84 H92 N4 O12 S4 -","4","1","SU2596","Devi, Seenivasan Karthiga; Srinivasan, Thothadri; Purushothaman, Santhanagopalan; Raghunathan, Raghavachary; Velmurugan, Devadasan","8,13,26-Trioxa-23-thia-21-azapentacyclo[18.6.0.0^2,7^.0^14,19^.0^21,25^]hexacosa-2(7),3,5,14,16,18-hexaene","Acta Crystallographica Section E","2013","69","6","o892","","10.1107/S1600536813012804","","","0.71073","MoKα","","0.0738","0.0469","","","0.1312","0.1515","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238047","8.1114","0.0009","10.853","0.0013","18.222","0.002","90","","94.399","0.006","90","","1599.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Bromophenyl)-2-methylamino-3-nitro-5,6,7,8-tetrahydro-4<i>H</i>-chromen-5-one","","- C16 H15 Br N2 O4 -","- C15.999 H14.994 Br N2 O4 -","- C63.996 H59.976 Br4 N8 O16 -","4","1","SU2597","Narayanan, P.; Kamalraja, Jayabal; Perumal, Paramasivam T.; Sethusankar, K.","4-(4-Bromophenyl)-2-methylamino-3-nitro-5,6,7,8-tetrahydro-4<i>H</i>-chromen-5-one","Acta Crystallographica Section E","2013","69","6","o931","o932","10.1107/S1600536813012774","","","0.71073","MoKα","","0.079","0.039","","","0.0888","0.1008","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238048","7.8928","0.0003","8.0378","0.0003","11.0889","0.0004","69.72","0.001","75.214","0.001","85.693","0.001","637.96","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","[Hexane-2,5-dione bis(thiosemicarbazonato)]nickel(II)","","- C8 H14 N6 Ni S2 -","- C8 H14 N6 Ni S2 -","- C16 H28 N12 Ni2 S4 -","2","1","SU2598","Shalamzari, Mohammad Safi; Gurbanov, Atash V.; Heidic, Seykens; Kia, Reza; Behrouzi, Shabnam","[Hexane-2,5-dione bis(thiosemicarbazonato)]nickel(II)","Acta Crystallographica Section E","2013","69","6","m322","","10.1107/S1600536813012816","","","0.71073","MoKα","","0.0231","0.0209","","","0.0572","0.0587","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238049","8.1482","0.0004","9.8553","0.0005","11.5265","0.0006","93.218","0.002","99.32","0.003","113.026","0.002","833.31","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-<i>tert</i>-Butyl-2-(2,6-dichlorophenyl)imidazo[1,2-a]pyrazin-3-amine","","- C16 H16 Cl2 N4 -","- C16 H16 Cl2 N4 -","- C32 H32 Cl4 N8 -","2","1","SU2601","Fatima, Zeenat; Srinivasan, Thothadri; Koorathota, Suman; Thennarasu, Sathiah; Velmurugan, Devadasan","<i>N</i>-<i>tert</i>-Butyl-2-(2,6-dichlorophenyl)imidazo[1,2-a]pyrazin-3-amine","Acta Crystallographica Section E","2013","69","6","o949","o950","10.1107/S1600536813013640","","","0.71073","MoKα","","0.0462","0.0401","","","0.1141","0.1201","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238050","6.606","0.0004","25.7003","0.0013","7.9627","0.0005","90","","107.532","0.007","90","","1289.08","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>L</i>-Histidinium dipicrate dihydrate","","- C18 H19 N9 O18 -","- C18 H19 N9 O18 -","- C36 H38 N18 O36 -","2","1","SU2602","Sethuram, M.; Rajasekharan, M. V.; Dhandapani, M.; Amirthaganesan, G.; NizamMohideen, M.","<small>L</small>-Histidinium dipicrate dihydrate","Acta Crystallographica Section E","2013","69","6","o957","o958","10.1107/S1600536813013949","","","0.71073","MoKα","","0.0491","0.0392","","","0.082","0.0883","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238051","11.5181","0.0003","8.8191","0.0002","13.5089","0.0003","90","","90.546","0.002","90","","1372.16","0.06","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Diaquabis(3-chlorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)","","- C26 H24 Cl2 Co N4 O8 -","- C26 H24 Cl2 Co N4 O8 -","- C52 H48 Cl4 Co2 N8 O16 -","2","0.5","SU2606","Bozkurt, Nihat; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Diaquabis(3-chlorobenzoato-κ<i>O</i>)bis(nicotinamide-κ<i>N</i>^1^)cobalt(II)","Acta Crystallographica Section E","2013","69","6","m349","m350","10.1107/S160053681301458X","","","0.71073","MoKα","","0.0283","0.0271","","","0.0733","0.0743","","","","","","1.108","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238052","6.1794","0.0006","10.057","0.001","12.5793","0.0012","84.072","0.006","79.738","0.006","85.471","0.006","763.67","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Bromo-2,7-dimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","","- C17 H15 Br O2 S -","- C17 H15 Br O2 S -","- C34 H30 Br2 O4 S2 -","2","1","TK5212","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2,7-dimethyl-3-(4-methylphenylsulfinyl)-1-benzofuran","Acta Crystallographica Section E","2013","69","5","o720","","10.1107/S1600536813009756","","","0.71073","MoKα","","0.0969","0.0452","","","0.0769","0.089","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238053","28.2896","0.0005","28.2896","0.0005","13.3041","0.0003","90","","90","","120","","9220.8","0.3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","1-(2,4-Dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine","","- C18 H20 Cl2 N2 O2 S -","- C18 H20 Cl2 N2 O2 S -","- C324 H360 Cl36 N36 O36 S18 -","18","1","TK5213","Sreenivasa, S.; ManojKumar, K. E.; Anitha, H. C.; Suchetan, P. A.; Palakshamurthy, B. S.; Jayashree, Yenagi; Tonannavar, J.","An unknown solvate of 1-(2,4-dichlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine","Acta Crystallographica Section E","2013","69","5","o782","","10.1107/S160053681301012X","","","0.71073","MoKα","","0.0558","0.0382","","","0.1005","0.109","","","","","","0.951","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238054","19.966","0.004","10.355","0.002","15.536","0.003","90","","90","","90","","3212","1.1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","(<i>Z</i>)-3-(3,4-Dimethoxybenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C144 H136 N8 O24 S8 -","8","1","TK5214","Selvakumar, R.; Bakthadoss, M.; Vijayakumar, S.; Murugavel, S.","(<i>Z</i>)-3-(3,4-Dimethoxybenzyl)-1,5-benzothiazepin-4(5<i>H</i>)-one","Acta Crystallographica Section E","2013","69","5","o708","","10.1107/S1600536813009598","","","0.71073","MoKα","","0.1007","0.0601","","","0.1514","0.1749","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238055","19.343","0.0004","9.46296","0.00016","12.8221","0.0002","90","","94.3231","0.0017","90","","2340.31","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-Benzylthieno[3,2-<i>d</i>]pyrimidin-4-amine","","- C13 H11 N3 S -","- C13 H11 N3 S -","- C104 H88 N24 S8 -","8","2","TK5215","Štarha, Pavel; Trávníček, Zdeněk","<i>N</i>-Benzylthieno[3,2-<i>d</i>]pyrimidin-4-amine","Acta Crystallographica Section E","2013","69","5","o698","","10.1107/S1600536813009537","","","0.71073","MoKα","","0.0348","0.0289","","","0.0768","0.0784","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238056","4.848","0.00001","12.42","0.0002","14.885","0.0003","101.01","0.001","92.652","0.001","94.117","0.001","875.84","0.02","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2,4,6-Triamino-1,3,5-triazin-1-ium 3-(prop-2-enoyloxy)propanoate acrylic acid monosolvate monohydrate","","- C12 H20 N6 O7 -","- C12 H20 N6 O7 -","- C24 H40 N12 O14 -","2","1","TK5217","Sangeetha, V.; Kanagathara, N.; Chakkaravarthi, G.; Marchewka, M. K.; Anbalagan, G.","2,4,6-Triamino-1,3,5-triazin-1-ium 3-(prop-2-enoyloxy)propanoate acrylic acid monosolvate monohydrate","Acta Crystallographica Section E","2013","69","5","o741","","10.1107/S1600536813009999","","","0.71073","MoKα","","0.0765","0.0594","","","0.1851","0.2035","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238057","13.0721","0.0012","17.3426","0.0016","6.2154","0.0006","90","","90","","90","","1409.1","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2-Phenylethanaminium 4-hydroxybenzoate","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","TK5220","Sudhahar, S.; Krishnakumar, M.; Sornamurthy, B. M.; Chakkaravarthi, G.; Mohankumar, R.","2-Phenylethanaminium 4-hydroxybenzoate","Acta Crystallographica Section E","2013","69","5","o792","","10.1107/S1600536813010787","","","0.71073","MoKα","","0.0705","0.0384","","","0.0895","0.106","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238058","12.5688","0.0006","25.3381","0.0009","13.1058","0.0007","90","","96.74","0.004","90","","4145","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","μ~3~-Methoxido-κ^3^<i>O</i>:<i>O</i>:<i>O</i>-tris(μ-<i>L</i>-<i>p</i>-tyrosinato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>)tris(<i>L</i>-<i>p</i>-tyrosinato-κ^2^<i>N</i>,<i>O</i>)trinickel(II,III) methanol tetrasolvate","","- C59 H63 N6 Ni3 O23 -","- C59 H63 N6 Ni3 O23 -","- C118 H126 N12 Ni6 O46 -","2","1","TK5221","Tapala, Weerinradah; Prior, Timothy J.; Rujiwatra, Apinpus","μ~3~-Methoxido-κ^3^<i>O</i>:<i>O</i>:<i>O</i>-tris(μ-<small>L</small>-<i>p</i>-tyrosinato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>)tris(<small>L</small>-<i>p</i>-tyrosinato-κ^2^<i>N</i>,<i>O</i>)trinickel(II,III) methanol tetrasolvate","Acta Crystallographica Section E","2013","69","5","m286","m287","10.1107/S1600536813010696","","","0.71073","MoKα","","0.0525","0.0401","","","0.0945","0.0969","","","","","","0.878","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238059","8.878","0.0003","10.334","0.0003","8.923","0.0003","90","","108.805","0.004","90","","774.94","0.05","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","","- C16 H22 Cl2 O -","- C16 H22 Cl2 O -","- C32 H44 Cl4 O2 -","2","1","TK5222","Ourhriss, Naja; Benharref, Ahmed; Oukhrib, Abdelouahd; Daran, Jean-Claude; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-2,2-Dichloro-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-one","Acta Crystallographica Section E","2013","69","6","o830","","10.1107/S1600536813011781","","","1.5418","CuKα","","0.0288","0.0276","","","0.0631","0.0645","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238060","8.4796","0.0004","8.5874","0.0006","13.8479","0.0009","90","","99.504","0.004","90","","994.53","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Hydroxy-1,2,6-trimethylpyridinium bromide monohydrate","","- C8 H14 Br N O2 -","- C8 H14 Br N O2 -","- C32 H56 Br4 N4 O8 -","4","1","TK5224","Seethalakshmi, T.; Manivannan, S.; Dhanuskodi, S.; Lynch, Daniel E.; Thamotharan, S.","4-Hydroxy-1,2,6-trimethylpyridinium bromide monohydrate","Acta Crystallographica Section E","2013","69","6","o941","o942","10.1107/S1600536813013330","","","0.71073","MoKα","","0.0388","0.0261","","","0.0525","0.0561","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238061","33.0231","0.0012","5.6347","0.0002","19.22","0.0006","90","","95.855","0.002","90","","3557.7","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Cyclohexyl-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran","","- C21 H21 F O2 S -","- C21.002 H21 F O2 S -","- C168.016 H168 F8 O16 S8 -","8","1","TK5225","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-2-(2-fluorophenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2013","69","6","o887","","10.1107/S1600536813012701","","","0.71073","MoKα","","0.0609","0.0449","","","0.1133","0.1223","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238062","5.4251","0.0001","10.6894","0.0003","14.5865","0.0003","108.91","0.001","91.447","0.001","102.44","0.001","777.3","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[μ-2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^4^<i>N</i>^2^,<i>N</i>^3^:<i>N</i>^4^,<i>N</i>^5^]bis[(nitrato-κ<i>O</i>)silver(I)] tetrahydrate","","- C24 H24 Ag2 N10 O10 S2 -","- C24 H24 Ag2 N10 O10 S2 -","- C24 H24 Ag2 N10 O10 S2 -","1","0.5","TK5229","Laachir, Abdelhakim; Bentiss, Fouad; Guesmi, Salaheddine; Saadi, Mohamed; El Ammari, Lahcen","Bis[μ-2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ^4^<i>N</i>^2^,<i>N</i>^3^:<i>N</i>^4^,<i>N</i>^5^]bis[(nitrato-κ<i>O</i>)silver(I)] tetrahydrate","Acta Crystallographica Section E","2013","69","6","m351","m352","10.1107/S1600536813014578","","","0.71073","MoKα","","0.0549","0.0343","","","0.0795","0.0895","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238063","10.76","0.005","8.321","0.004","14.601","0.007","90","","98.997","0.009","90","","1291.2","1.1","113","2","113","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl (3<i>R</i>,4<i>S</i>,5<i>R</i>)-3,5-bis[(<i>tert</i>-butyldimethylsilyl)oxy]-4-methoxycyclohex-1-enecarboxylate","","- C21 H42 O5 Si2 -","- C21 H42 O5 Si2 -","- C42 H84 O10 Si4 -","2","1","VM2187","Liu, Ri; Shi, Yu; Xu, Chun-Xiu; Li, Yi-Liang","(3<i>R</i>,4<i>S</i>,5<i>R</i>)-Methyl 3,5-bis[(<i>tert</i>-butyldimethylsilyl)oxy]-4-methoxycyclohex-1-enecarboxylate","Acta Crystallographica Section E","2013","69","5","o632","","10.1107/S1600536813007551","","","0.71073","MoKα","","0.0613","0.0482","","","0.0694","0.0733","","","","","","0.984","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238064","16.1451","0.0003","7.51303","0.00014","29.0107","0.0005","90","","98.547","0.001","90","","3479.88","0.11","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(2,7-Dimethoxynaphthalen-1-yl)(naphthalen-1-yl)methanone","","- C23 H18 O3 -","- C23 H18 O3 -","- C184 H144 O24 -","8","2","VM2191","Tsumuki, Takehiro; Isogai, Atsumi; Kawano, Hiroyuki; Yonezawa, Noriyuki; Okamoto, Akiko","(2,7-Dimethoxynaphthalen-1-yl)(naphthalen-1-yl)methanone","Acta Crystallographica Section E","2013","69","5","o663","","10.1107/S1600536813008854","","","1.54187","CuKα","","0.0417","0.037","","","0.1008","0.1048","","","","","","1.07","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238065","18.377","0.016","6.519","0.006","30.82","0.03","90","","93.233","0.016","90","","3686","6","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-10,10-Bibromo-2,2-dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","","- C17 H24 Br2 Cl2 -","- C17 H24 Br2 Cl2 -","- C136 H192 Br16 Cl16 -","8","2","VM2192","Oukhrib, Abdelouahd; Benharref, Ahmed; Saadi, Mohamed; Berraho, Moha; El Ammari, Lahcen","(1<i>S</i>,3<i>R</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-10,10-Dibromo-2,2-dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","Acta Crystallographica Section E","2013","69","5","o739","","10.1107/S1600536813010040","","","0.71073","MoKα","","0.0649","0.041","","","0.0949","0.1026","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238066","24.486","0.005","9.986","0.005","10.71","0.005","90","","109.623","0.005","90","","2466.7","1.8","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(cinnamato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","","- C30 H22 Cu N2 O4 -","- C30 H22 Cu N2 O4 -","- C120 H88 Cu4 N8 O16 -","4","0.5","VM2193","Benslimane, Meriem; Redjel, Yasmine Kheira; Merazig, Hocine; Daran, Jean-Claude","Bis(cinnamato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)","Acta Crystallographica Section E","2013","69","5","m277","","10.1107/S1600536813010350","","","0.71073","MoKα","","0.0576","0.0392","","","0.0926","0.1001","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238067","16.531","0.017","7.975","0.008","13.047","0.013","90","","92.055","0.013","90","","1719","3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[μ-3-(Methylsulfanyl)benzene-1,2-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>']bis[tricarbonyliron(I)]","","- C13 H6 Fe2 O6 S3 -","- C13 H6 Fe2 O6 S3 -","- C52 H24 Fe8 O24 S12 -","4","1","VN2067","Yang, Yong; Wang, Ning; Chen, Lin","[μ-3-(Methylsulfanyl)benzene-1,2-dithiolato-1:2κ^4^<i>S</i>,<i>S</i>':<i>S</i>,<i>S</i>']bis[tricarbonyliron(I)]","Acta Crystallographica Section E","2013","69","5","m269","m270","10.1107/S1600536813009860","","","0.71073","MoKα","","0.068","0.036","","","0.0767","0.0839","","","","","","0.969","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238068","11.2236","0.0002","13.4714","0.0004","16.5303","0.0004","90","","90","","90","","2499.34","0.11","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Bis(pyridin-2-ylmethyl)ammonium nitrate","","- C12 H14 N4 O3 -","- C12 H14 N4 O3 -","- C96 H112 N32 O24 -","8","1","VN2068","Abrahams, Abubak'r; van Brecht, Bernardus; Betz, Richard","Bis(pyridin-2-ylmethyl)ammonium nitrate","Acta Crystallographica Section E","2013","69","5","o661","","10.1107/S1600536813008593","","","0.71073","MoKα","","0.0502","0.0414","","","0.1145","0.1224","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238069","12.7651","0.0003","12.7651","0.0003","5.0844","0.0001","90","","90","","120","","717.49","0.03","296","2","296","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","Magnesium hydroxide hydrogenarsenate (6.75/3/4)","","- As4 H4.5 Mg6.75 O19 -","- As4 Mg6.75 O19 -","- As8 Mg13.5 O38 -","2","0.166667","VN2069","Weil, Matthias","Mg~6.75~(OH)~3~(H~0.166~AsO~4~)~3~(HAsO~4~), a member of the <i>M</i>~1-~<i>~x~M</i>'~6~(OH)~3~(H~2<i>x~/3</i>AsO~4~)~3~(HAsO~4~) family (<i>M</i>,<i>M</i>' = Co; Ni)","Acta Crystallographica Section E","2013","69","5","i29","","10.1107/S1600536813010714","","","0.71073","MoKα","","0.0329","0.0291","","","0.0568","0.0575","","","","","","1.205","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238070","8.0442","0.0008","11.9167","0.0009","12.6799","0.001","90","","90","","90","","1215.5","0.18","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Potassium tetrakis(dioxomolybdenum) arsenate trioxide","","- As K Mo4 O15 -","- As K Mo4 O15 -","- As4 K4 Mo16 O60 -","4","1","VN2070","Jouini, Raja; Zid, Mohamed Faouzi; Driss, Ahmed","K(MoO~2~)~4~O~3~(AsO~4~)","Acta Crystallographica Section E","2013","69","6","i37","","10.1107/S1600536813013664","","","0.71073","MoKα","","0.0181","0.0177","","","0.045","0.0452","","","","","","1.096","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238071","10.43723","0.00005","10.43723","0.00005","37.3379","0.0007","90","","90","","120","","3522.5","0.07","293","2","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Silver(I) decacalcium heptakis(orthophosphate)","","- Ag Ca10 O28 P7 -","- Ag Ca10 O28 P7 -","- Ag6 Ca60 O168 P42 -","6","0.333333","WM2726","Strutynska, Nataliya Yu.; Zatovsky, Igor V.; Ogorodnyk, Ivan V.; Slobodyanik, Nikolay S.","Rietveld refinement of AgCa~10~(PO~4~)~7~ from X-ray powder data","Acta Crystallographica Section E","2013","69","5","i23","","10.1107/S1600536813007848","powder diffraction","","1.54187","CuKα","","0.038","","","","","","","","2.97","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238072","9.44783","0.00005","9.44783","0.00005","9.44783","0.00005","90","","90","","90","","843.327","0.008","298","","298","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Trisodium vanadium(III) nitridotriphosphate","","- N Na3 O9 P3 V -","- N Na3 O9 P3 V -","- N4 Na12 O36 P12 V4 -","4","0.333333","WM2731","Kim, Minwoong; Kim, Seung-Joo","Synchrotron powder study of Na~3~V(PO~3~)~3~N","Acta Crystallographica Section E","2013","69","6","i34","","10.1107/S1600536813012427","powder diffraction","","1.5474","synchrotron","","","","","","","","","","1.587","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238073","6.1028","0.0002","10.4708","0.0003","6.0003","0.0002","90","","118.249","0.001","90","","337.76","0.019","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dilithium hexahydroxidostannate(IV) dihydrate","","- H10 Li2 O8 Sn -","- H10 Li2 O8 Sn -","- H20 Li4 O16 Sn2 -","2","0.5","WM2733","Kamaha, Shouassi; Reuter, Hans","Dilithium hexahydroxidostannate(IV) dihydrate, a second monoclinic modification with a layer structure","Acta Crystallographica Section E","2013","69","5","i25","","10.1107/S1600536813008416","","","0.71073","MoKα","","0.0134","0.013","","","0.0321","0.0323","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238074","14.058","0.002","14.058","0.002","6.3103","0.0008","90","","90","","90","","1247.1","0.3","298","2","298","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","Heptasodium tetrachromium(III) tetrakis(diphosphate) orthophosphate","","- Cr4 Na7 O32 P9 -","- Cr4 Na7 O32 P9 -","- Cr8 Na14 O64 P18 -","2","0.25","WM2734","Bourguiba Fakhar, Noura; Zid, Mohamed Faouzi; Driss, Ahmed","Na~7~Cr~4~(P~2~O~7~)~4~PO~4~","Acta Crystallographica Section E","2013","69","5","i27","i28","10.1107/S1600536813008726","","","0.71073","MoKα","","0.0259","0.0226","","","0.0591","0.0603","","","","","","1.123","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238075","8.6462","0.0002","11.6709","0.0003","13.4339","0.0004","87.876","0.003","83.483","0.003","74.566","0.002","1298.24","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-4-formylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(4-formylbenzoato-κ^2^<i>O</i>,<i>O</i>')bis(isonicotinamide-κ<i>N</i>^1^)copper(II)]","","- C56 H44 Cu2 N8 O16 -","- C56 H44 Cu2 N8 O16 -","- C56 H44 Cu2 N8 O16 -","1","0.5","WM2735","Sertçelik, Mustafa; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Bis(μ-4-formylbenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(4-formylbenzoato-κ^2^<i>O</i>,<i>O</i>')bis(isonicotinamide-κ<i>N</i>^1^)copper(II)]","Acta Crystallographica Section E","2013","69","5","m290","m291","10.1107/S1600536813010908","","","0.71073","MoKα","","0.1095","0.0776","","","0.1882","0.2042","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238076","21.8891","0.0007","10.235","0.0003","21.9242","0.0007","90","","112.802","0.002","90","","4527.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{2,2'-[<i>N</i>,<i>N</i>'-Bis(pyridin-2-ylmethyl)propane-1,3-diyldi(nitrilo)]diacetato}cobalt(III) hexafluoridophosphate acetonitrile 0.064-solvate","","- C19.13 H22.19 Co F6 N4.06 O4 P -","- C19.128 H22.192 Co F6 N4.064 O4 P -","- C153.024 H177.536 Co8 F48 N32.512 O32 P8 -","8","2","WM2736","McLauchlan, Craig C.; Kissel, Daniel S.; Arnold, William R.; Herlinger, Albert W.","{2,2'-[<i>N</i>,<i>N</i>'-Bis(pyridin-2-ylmethyl)propane-1,3-diyldi(nitrilo)]diacetato}cobalt(III) hexafluoridophosphate acetonitrile 0.064-solvate","Acta Crystallographica Section E","2013","69","5","m296","m297","10.1107/S1600536813011136","","","0.71073","MoKα","","0.0267","0.0245","","","0.073","0.0743","","","","","","1.283","","","","has coordinates,has Fobs","189124","2020-10-21","18:00:00",""
"2238077","5.6856","0.0011","12.621","0.003","14.402","0.003","95.53","0.03","100.88","0.03","93.13","0.03","1007.4","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Decalanthanum dodecatellurium triacontnonaoxide","","- La10 O39 Te12 -","- La10 O39 Te12 -","- La10 O39 Te12 -","1","0.5","WM2737","Wang, Peng Li; Mozharivskyj, Yurij","The low-symmetry lanthanum(III) oxotellurate(IV), La~10~Te~12~O~39~","Acta Crystallographica Section E","2013","69","6","i36","","10.1107/S1600536813012191","","","0.71073","MoKα","","0.1024","0.0416","","","0.0543","0.0639","","","","","","0.765","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238078","9.4238","0.0004","13.6544","0.0006","13.5679","0.0006","90","","104.349","0.001","90","","1691.4","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Amino-5-bromopyridin-1-ium (2-amino-5-bromopyridine-κ<i>N</i>^1^)trichloridozincate","","- C10 H11 Br2 Cl3 N4 Zn -","- C10 H11 Br2 Cl3 N4 Zn -","- C40 H44 Br8 Cl12 N16 Zn4 -","4","1","WM2739","Fitriani; Hansongnern, Kanidtha; Leesakul, Nararak; Pakawatchai, Chaveng; Saithong, Saowanit","2-Amino-5-bromopyridin-1-ium (2-amino-5-bromopyridine-κ<i>N</i>^1^)trichloridozincate","Acta Crystallographica Section E","2013","69","6","m302","","10.1107/S1600536813011884","","","0.71073","MoKα","","0.0423","0.0334","","","0.0813","0.0861","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238079","9.162","0.001","20.869","0.007","7.566","0.002","90","","90","","90","","1446.6","0.6","298","2","298","2","","","","","","","","6","P n n m","-P 2 2n","58","","Bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridoantimonate(III)] dihydrate","","- C12 H32 Cl10 N4 O2 Sb2 -","- C12 H28 Cl10 N4 O2 Sb2 -","- C24 H56 Cl20 N8 O4 Sb4 -","2","0.25","WM2740","Ben Rhaiem, Tarek; Boughzala, Habib; Driss, Ahmed","Bis(1,4-diazoniabicyclo[2.2.2]octane) di-μ-chlorido-bis[tetrachloridoantimonate(III)] dihydrate","Acta Crystallographica Section E","2013","69","6","m330","","10.1107/S160053681301307X","","","0.71073","MoKα","","0.0289","0.0227","","","0.0579","0.0608","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238080","26.0501","0.0004","8.0057","0.0001","13.0743","0.0002","90","","103.899","0.0009","90","","2646.8","0.07","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{(<i>Z</i>)-[(<i>E</i>)-2-(pyridin-2-ylmethylidene)hydrazin-1-ylidene][(pyridin-2-yl)methylsulfanyl]methanethiolato}nickel(II)","","- C26 H22 N8 Ni S4 -","- C26 H22 N8 Ni S4 -","- C104 H88 N32 Ni4 S16 -","4","0.5","WM2742","Khoo, Teng-Jin; bin Break, Mohammed Khaled; Tahir, M. Ibrahim M.; Krouse, Karen A.; Cowley, Andrew R.; Watkin, David J.","Bis{(<i>Z</i>)-[(<i>E</i>)-2-(pyridin-2-ylmethylidene)hydrazin-1-ylidene][(pyridin-2-yl)methylsulfanyl]methanethiolato}nickel(II)","Acta Crystallographica Section E","2013","69","6","m323","m324","10.1107/S1600536813013032","","","0.71073","MoKα","","0.0712","0.0452","","0.1671","0.1214","0.1214","","","","","","1.0797","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238081","7.7521","0.0016","12.772","0.003","15.121","0.003","90","","100.26","0.03","90","","1473.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Butane-1,2,3,4-tetraol- κ^3^<i>O</i>^1^,<i>O</i>^2^,<i>O</i>^3^)(ethanol-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')erbium(III)","","- C6 H16 Er N3 O14 -","- C6 H16 Er N3 O14 -","- C24 H64 Er4 N12 O56 -","4","1","XU5657","Hua, Xiao-Hui; Xue, Jun-Hui; Yang, Li-Min; Xu, Yi-Zhuang; Wu, Jin-Guang","(Butane-1,2,3,4-tetraol-κ^3^<i>O</i>^1^,<i>O</i>^2^,<i>O</i>^3^)(ethanol-κ<i>O</i>)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')erbium(III)","Acta Crystallographica Section E","2013","69","5","m257","m258","10.1107/S1600536813008003","","","0.71073","MoKα","","0.0337","0.0305","","","0.0613","0.0625","","","","","","1.2","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238082","10.6222","0.0008","18.469","0.0014","24.5375","0.0018","90","","90","","90","","4813.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,9,15,34-Tetra-<i>tert</i>-butyl-19,29-dioxa-24-thiahexacyclo[15.13.7.1^7,11^.1^32,36^.0^5,30^.0^13,18^]nonatriaconta-1(30),2,4,7,9,11(39),13,15,17,32,34,36(38)-dodecaene-38,39-diol","","- C52 H70 O4 S -","- C52 H70 O4 S -","- C208 H280 O16 S4 -","4","1","XU5679","Xie, De-Xun; An, De-Lie","5,11,17,23-Tetrakis(1,1-dimethylethyl)-26,28-dihydroxycalix[4]arene-25,27-monothiacrown-3","Acta Crystallographica Section E","2013","69","5","o690","","10.1107/S1600536813008684","","","0.71073","MoKα","","0.1008","0.066","","","0.1713","0.1914","","","","","","0.927","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238083","8.208","0.007","9.73","0.008","9.902","0.008","73.257","0.016","79.986","0.014","80.77","0.014","740.6","1.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","1,4-diacetateanthraquinone","9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl diacetate","","- C18 H12 O6 -","- C18 H12 O6 -","- C36 H24 O12 -","2","1","XU5688","Zhang, Jing-Jing; Yin, Cai-Xia; Huo, Fang-Jun","9,10-Dioxo-9,10-dihydroanthracene-1,4-diyl diacetate","Acta Crystallographica Section E","2013","69","5","o788","","10.1107/S1600536813010635","","","0.71073","MoKα","","0.0872","0.0492","","","0.123","0.1515","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238084","8.999","0.004","19.296","0.008","18.926","0.007","90","","110.59","0.018","90","","3076","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[diaqua(μ~4~-benzene-1,2,4,5-tetracarboxylato)tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)dicopper(II)] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]","","- C25 H29 Cu2 N9 O11 -","- C25 H29 Cu2 N9 O11 -","- C100 H116 Cu8 N36 O44 -","4","1","XU5689","Zhou, Xiao-Fei; Xiao, Hong-Ping; Zhao, Ya-Juan; Li, Xin-Hua","Poly[[diaqua(μ~4~-benzene-1,2,4,5-tetracarboxylato)tetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)dicopper(II)] <i>N</i>,<i>N</i>-dimethylformamide monosolvate]","Acta Crystallographica Section E","2013","69","5","m273","m274","10.1107/S1600536813010246","","","0.71073","MoKα","","0.0612","0.04","","","0.1195","0.1533","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238085","8.64349","0.00007","24.821","0.0003","18.40861","0.00018","90","","90.5648","0.0008","90","","3949.19","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>,<i>N</i>'-[2,2'-(Phenylazanediyl)bis(ethane-2,1-diyl)]dipicolinamide","","- C22 H23 N5 O2 -","- C22 H23 N5 O2 -","- C176 H184 N40 O16 -","8","2","XU5691","Li, Gao-Nan; Niu, Zhi-Gang; Huang, Mei-Qi; Zou, Ying; Hu, Liang-Jiang","<i>N</i>,<i>N</i>'-[2,2'-(Phenylazanediyl)bis(ethane-2,1-diyl)]dipicolinamide","Acta Crystallographica Section E","2013","69","5","o677","","10.1107/S1600536813008696","","","1.5418","CuKα","","0.0525","0.0437","","","0.0937","0.0969","","","","","","1.138","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238086","9.94","0.007","16.639","0.009","7.876","0.004","90","","96.28","0.05","90","","1294.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[aqua{μ~4~-2-[(carboxymethyl)sulfanyl]nicotinato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'''}copper(II)] trihydrate]","","- C8 H13 Cu N O8 S -","- C8 H13 Cu N O8 S -","- C32 H52 Cu4 N4 O32 S4 -","4","1","XU5692","Li, Wei-Qi","Poly[[aqua{μ~4~-2-[(carboxymethyl)sulfanyl]nicotinato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'''}copper(II)] trihydrate]","Acta Crystallographica Section E","2013","69","5","m268","","10.1107/S1600536813009604","","","0.71073","MoKα","","0.0462","0.0315","","","0.0784","0.0848","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238087","8.234","0.003","10.199","0.003","11.927","0.004","90","","97.439","0.004","90","","993.2","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3,4-Dihydro-1<i>H</i>-benzo[<i>c</i>]chromene-1,6(2<i>H</i>)-dione","","- C13 H10 O3 -","- C13 H10 O3 -","- C52 H40 O12 -","4","1","XU5693","Cui, Liang-Yan; He, Yan; Fan, Xue-Sen","3,4-Dihydro-1<i>H</i>-benzo[<i>c</i>]chromene-1,6(2<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","5","o754","","10.1107/S1600536813010210","","","0.71073","MoKα","","0.086","0.077","","","0.2238","0.2293","","","","","","1.175","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238088","13.986","0.003","9.997","0.0018","11.859","0.002","90","","91.169","0.002","90","","1657.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-[(1-Bromonaphthalen-2-yl)methoxy]-5,5-dimethylcyclohex-2-enone","","- C19 H19 Br O2 -","- C19 H19 Br O2 -","- C76 H76 Br4 O8 -","4","1","XU5694","Fang, Liang-Liang; Liu, Nan; Zhang, Xin-Ying","3-[(1-Bromonaphthalen-2-yl)methoxy]-5,5-dimethylcyclohex-2-enone","Acta Crystallographica Section E","2013","69","5","o758","","10.1107/S160053681301026X","","","0.71073","MoKα","","0.0979","0.0607","","","0.1782","0.1986","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238089","8.7191","0.0005","8.8978","0.0004","16.706","0.001","90","","103.801","0.006","90","","1258.65","0.12","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(4-Hydroxyphenyl)-3-methoxy-4<i>H</i>-chromen-4-one","","- C16 H12 O4 -","- C16 H12 O4 -","- C64 H48 O16 -","4","1","XU5696","Serdiuk, Illia E.; Wera, Michał; Roshal, Alexander D.; Błażejowski, Jerzy","2-(4-Hydroxyphenyl)-3-methoxy-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2013","69","6","o895","","10.1107/S1600536813010982","","","0.7107","MoKα","","0.054","0.0404","","","0.0987","0.1073","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238090","7.5039","0.0015","7.7458","0.0015","14.439","0.003","81.63","0.03","79.15","0.03","78.67","0.03","803","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Ammonium 2-(3,4-dimethylbenzoyl)benzoate dihydrate","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C32 H42 N2 O10 -","2","1","XU5697","Zhang, Ming-Hui; Yuan, Yue-Lin; Kou, Jun-Feng","Ammonium 2-(3,4-dimethylbenzoyl)benzoate dihydrate","Acta Crystallographica Section E","2013","69","6","o860","","10.1107/S1600536813012087","","","0.71073","MoKα","","0.0871","0.0395","","","0.0944","0.1142","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238091","10.765","0.0007","14.0424","0.0008","15.7266","0.0009","90","","103.244","0.003","90","","2314.1","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Pyridinium bis(pyridine-κ<i>N</i>)tetrakis(thiocyanato-κ<i>N</i>)ferrate(III)","","- C19 H16 Fe N7 S4 -","- C19 H16 Fe N7 S4 -","- C76 H64 Fe4 N28 S16 -","4","1","XU5698","Shylin, Sergii I.; Gural'skiy, Il'ya A.; Haukka, Matti; Kapshuk, Anatoliy A.; Prisyazhnaya, Elena V.","Pyridinium bis(pyridine-κ<i>N</i>)tetrakis(thiocyanato-κ<i>N</i>)ferrate(III)","Acta Crystallographica Section E","2013","69","6","m298","m299","10.1107/S1600536813011628","","","0.71073","MoKα","","0.0805","0.035","","","0.0561","0.0646","","","","","","0.917","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238092","8.7685","0.0006","9.8159","0.0007","10.3515","0.0006","113.03","0.006","101.231","0.006","102.378","0.006","761.45","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-Methoxy-4-(prop-2-en-1-yl)phenyl 4-methoxybenzoate","","- C18 H18 O4 -","- C18 H18 O4 -","- C36 H36 O8 -","2","1","XU5699","Pichika, Mallikarjuna Rao; Yew, Beng Kang; Ng, Seik Weng","2-Methoxy-4-(prop-2-en-1-yl)phenyl 4-methoxybenzoate","Acta Crystallographica Section E","2013","69","6","o819","","10.1107/S1600536813011458","","","0.71073","MoKα","","0.0782","0.0502","","","0.1129","0.1316","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238093","12.6271","0.0006","9.3928","0.0005","16.6616","0.0008","90","","111.954","0.002","90","","1832.83","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Ethyl-2-phenyl-3-[2-(trimethylsilyl)ethynyl]-1<i>H</i>-indole","","- C21 H23 N Si -","- C21 H23 N Si -","- C84 H92 N4 Si4 -","4","1","XU5700","Baglai, Iaroslav; Maraval, Valérie; Duhayon, Carine; Chauvin, Remi","1-Ethyl-2-phenyl-3-[2-(trimethylsilyl)ethynyl]-1<i>H</i>-indole","Acta Crystallographica Section E","2013","69","6","o921","o922","10.1107/S1600536813012671","","","0.71073","MoKα","","0.0572","0.0379","","0.0681","0.0404","0.0388","","","","","","1.1157","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238094","21.7784","0.0005","7.8573","0.0003","25.1034","0.0005","90","","90","","90","","4295.7","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","4',4',6',6'-Tetrachloro-2-(6-methylpyridin-2-yl)-1<i>H</i>,2<i>H</i>-spiro[naphtho[1,2-<i>e</i>][1,3,2]oxazaphosphinine-3,2'-[1,3,5,2,4,6]triazatriphosphinine]","","- C17 H14 Cl4 N5 O P3 -","- C17 H14 Cl4 N5 O P3 -","- C136 H112 Cl32 N40 O8 P24 -","8","1","XU5701","Işıklan, Muhammet; Sonkaya, Ömer; Hökelek, Tuncer","4',4',6',6'-Tetrachloro-2-(6-methylpyridin-2-yl)-1<i>H</i>,2<i>H</i>-spiro[naphtho[1,2-<i>e</i>][1,3,2]oxazaphosphinine-3,2'-[1,3,5,2,4,6]triazatriphosphinine]","Acta Crystallographica Section E","2013","69","6","o861","o862","10.1107/S1600536813012348","","","0.71073","MoKα","","0.0935","0.0476","","","0.1051","0.1291","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238095","9.1042","0.0016","13.887","0.002","17.826","0.003","70.753","0.003","79.332","0.004","75.19","0.003","2044.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[(triphenylphosphane-κ<i>P</i>)silver(I)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-[(triphenylphosphane-κ<i>P</i>)silver(I)]-di-μ-chlorido]","","- C46 H38 Ag2 Cl2 N2 P2 -","- C46 H38 Ag2 Cl2 N2 P2 -","- C92 H76 Ag4 Cl4 N4 P4 -","2","1","XU5704","Song, Xiao-Ming; Hu, Feng; Shi, Hua-Tian; Chen, Qun; Zhang, Qian-Feng","<i>catena</i>-Poly[[(triphenylphosphane-κ<i>P</i>)silver(I)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'-[(triphenylphosphane-κ<i>P</i>)silver(I)]-di-μ-chlorido]","Acta Crystallographica Section E","2013","69","6","m342","","10.1107/S160053681301413X","","","0.71073","MoKα","","0.0685","0.0388","","","0.0806","0.0923","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238096","7.5374","0.0003","9.7388","0.0003","10.7979","0.0004","106.902","0.002","90.605","0.002","110.598","0.002","704.24","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Chloro-2-(4-fluorophenyl)-7-methyl-3-methylsulfinyl-1-benzofuran","","- C16 H12 Cl F O2 S -","- C16 H12 Cl F O2 S -","- C32 H24 Cl2 F2 O4 S2 -","2","1","XU5706","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Chloro-2-(4-fluorophenyl)-7-methyl-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2013","69","6","o920","","10.1107/S1600536813013172","","","0.71073","MoKα","","0.0391","0.0328","","","0.0887","0.093","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238097","9.7918","0.0002","9.3938","0.0002","10.6998","0.0002","90","","112.176","0.002","90","","911.39","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>R</i>,2<i>S</i>,5<i>R</i>)-(-)-Menthyl (<i>S</i>)-2-(methoxycarbonyl)benzenesulfinate","","- C18 H26 O4 S -","- C18 H26 O4 S -","- C36 H52 O8 S2 -","2","1","YK2089","Altamura, Maria; Guidi, Antonio; Jierry, Loic; Paoli, Paola; Rossi, Patrizia","(1<i>R</i>,2<i>S</i>,5<i>R</i>)-(‒)-Menthyl (<i>S</i>)-2-(methoxycarbonyl)benzenesulfinate","Acta Crystallographica Section E","2013","69","5","o731","","10.1107/S1600536813009112","","","1.5418","CuKα","","0.0355","0.0311","","","0.0753","0.0782","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238098","7.951","0.0016","6.987","0.0014","30.395","0.006","90","","92.31","0.03","90","","1687.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-{[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy}quinoline monohydrate","","- C19 H17 N3 O4 -","- C19 H17 N3 O4 -","- C76 H68 N12 O16 -","4","1","YK2090","Shen, Hong; Bai, Shu-Yuan; Han, Xin-Yi; Li, Xiang-Zhi; Wang, Hai-Bo","8-{[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy}quinoline monohydrate","Acta Crystallographica Section E","2013","69","5","o760","","10.1107/S1600536813010271","","","0.71073","MoKα","","0.0849","0.0547","","","0.1667","0.1949","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238099","6.0969","0.001","10.9279","0.0016","11.2209","0.0016","78.167","0.01","83.72","0.01","79.722","0.011","717.92","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(2-Fluorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 F O2 S -","- C17 H15 F O2 S -","- C34 H30 F2 O4 S2 -","2","1","YK2091","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(2-Fluorophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2013","69","6","o821","","10.1107/S1600536813011495","","","0.71073","MoKα","","0.0532","0.0387","","","0.09","0.0986","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238100","6.6842","0.0004","9.6173","0.0006","25.4682","0.0015","95.78","0.003","95.669","0.003","90.028","0.003","1620.82","0.17","93","2","93","2","","","","","","","","4","P 1","P 1","1","","5-(Naphthalen-1-yl)isophthalic acid‒dimethyl sulfoxide‒water (2/1/2)","","- C19 H17 O5.5 S0.5 -","- C19 H17 O5.5 S0.5 -","- C76 H68 O22 S2 -","4","4","YK2092","Vetter, Antje; Seichter, Wilhelm; Weber, Edwin","5-(Naphthalen-1-yl)isophthalic acid‒dimethyl sulfoxide‒water (2/1/2)","Acta Crystallographica Section E","2013","69","6","o912","o913","10.1107/S1600536813012361","","","0.71073","MoKα","","0.0612","0.0452","","","0.0924","0.0995","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238101","4.6619","0.0002","17.3256","0.0007","11.149","0.0004","90","","103.204","0.002","90","","876.7","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate","","- C7 H9 N3 O4 -","- C7 H9 N3 O4 -","- C28 H36 N12 O16 -","4","1","YK2093","Zama, Sana; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali","Methyl 2-(2-methyl-4-nitro-1<i>H</i>-imidazol-1-yl)acetate","Acta Crystallographica Section E","2013","69","6","o837","o838","10.1107/S1600536813011914","","","0.71073","MoKα","","0.0386","0.0336","","","0.0849","0.0882","","","","","","1.088","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238102","8.5896","0.0017","10.837","0.002","16.584","0.003","90","","99.44","0.03","90","","1522.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-bromo-4-cyano-5-[(2-ethoxy-2-oxoethyl)sulfanyl]thiophene-2-carboxylate","","- C12 H12 Br N O4 S2 -","- C12 H12 Br N O4 S2 -","- C48 H48 Br4 N4 O16 S8 -","4","1","ZJ2102","Li, Xiuping; Jia, Xiaochuan; Li, Jing","Ethyl 3-bromo-4-cyano-5-[(2-ethoxy-2-oxoethyl)sulfanyl]thiophene-2-carboxylate","Acta Crystallographica Section E","2013","69","6","o848","","10.1107/S1600536813010611","","","0.71073","MoKα","","0.0877","0.0515","","","0.138","0.1568","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238103","11.4868","0.0017","8.7275","0.0013","21.105","0.003","90","","99.857","0.003","90","","2084.6","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{1,2-Bis(pyridin-3-yl)-2-[(<i>E</i>)-(pyridin-3-yl)methylideneamino]ethyl}nicotinamide","","- C24 H20 N6 O -","- C24 H20 N6 O -","- C96 H80 N24 O4 -","4","1","ZL2533","Quiroa-Montalván, Claudia M.; Chávez, Daniel; Reyes-Martínez, Reyna; Morales-Morales, David; Parra-Hake, Miguel","<i>N</i>-{1,2-Bis(pyridin-3-yl)-2-[(<i>E</i>)-(pyridin-3-yl)methylideneamino]ethyl}nicotinamide","Acta Crystallographica Section E","2013","69","5","o691","o692","10.1107/S1600536813008544","","","0.71073","MoKα","","0.1121","0.071","","","0.1745","0.1983","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238104","12.0547","0.0006","12.1822","0.0004","13.2435","0.0007","65.156","0.004","83.108","0.004","68.444","0.004","1640.06","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis[4-chloro-2-(quinolin-8-yliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]cobalt(III) trichloridomethanolcobaltate(II)","","- C33 H24 Cl5 Co2 N4 O3 -","- C33 H24 Cl5 Co2 N4 O3 -","- C66 H48 Cl10 Co4 N8 O6 -","2","1","ZL2537","Luo, Xu-Jian; Zhang, Chuan-Hui; Zhou, Jie; Liu, Yan-Cheng","Bis[4-chloro-2-(quinolin-8-yliminomethyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]cobalt(III) trichloridomethanolcobaltate(II)","Acta Crystallographica Section E","2013","69","5","m278","m279","10.1107/S1600536813010118","","","0.7107","MoKα","","0.0451","0.035","","","0.0829","0.0907","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238105","29.016","0.003","9.1763","0.0009","16.8294","0.0016","90","","121.086","0.002","90","","3837.5","0.7","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","10-(3,5-Dinitrophenyl)-5,5-difluoro-1,3,7,9-tetramethyl-5<i>H</i>-dipyrrolo[1,2-<i>c</i>:2',1'-<i>f</i>][1,3,2]diazaborinin-4-ium-5-uide","","- C19 H17 B F2 N4 O4 -","- C19 H17 B F2 N4 O4 -","- C152 H136 B8 F16 N32 O32 -","8","1","ZL2539","Cui, Ai-Jun; Wang, Yan; He, Jie; Li, Xiang; He, Ming-Yang","10-(3,5-Dinitrophenyl)-5,5-difluoro-1,3,7,9-tetramethyl-5<i>H</i>-dipyrrolo[1,2-<i>c</i>:2',1'-<i>f</i>][1,3,2]diazaborinin-4-ium-5-uide","Acta Crystallographica Section E","2013","69","5","o647","","10.1107/S1600536813008027","","","0.71073","MoKα","","0.0849","0.045","","","0.1034","0.1136","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238106","20.0898","0.0016","20.0898","0.0016","18.012","0.002","90","","90","","90","","7269.6","1.1","296","2","296","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","(<i>R</i>~C~,<i>S</i>~Fe~)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-{1-[2-(diphenylphosphanyl)ferrocenyl]ethyl}thiourea (unknown solvate)","","- C33 H27 F6 Fe N2 P S -","- C33 H27 F6 Fe N2 P S -","- C264 H216 F48 Fe8 N16 P8 S8 -","8","1","ZL2541","Ma, Peng-Fei; Zhang, Xiao-Rui; Ma, Jiang-Wei; Chen, Hui; Jiang, Ru","(<i>R</i>~C~,<i>S</i>~Fe~)-1-[3,5-Bis(trifluoromethyl)phenyl]-3-{1-[2-(diphenylphosphanyl)ferrocenyl]ethyl}thiourea (unknown solvate)","Acta Crystallographica Section E","2013","69","5","m242","m243","10.1107/S1600536813008453","","","0.71073","MoKα","","0.1101","0.0536","","","0.1034","0.1194","","","","","","0.946","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238107","27.4484","0.0007","13.3116","0.0003","22.3609","0.0005","90","","91.165","0.002","90","","8168.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[2,4-dibromo-6-(<i>N</i>-{4-[(<i>E</i>)-1-(benzyloxyimino)ethyl]phenyl}carboximidoyl)phenolato]copper(II)","","- C44 H34 Br4 Cu N4 O4 -","- C44 H34 Br4 Cu N4 O4 -","- C352 H272 Br32 Cu8 N32 O32 -","8","1","ZL2543","Li, Xiao-Bing; Li, Xiao-Jun; Meng, Wei-Sheng; Zhang, Yu-Jie; Li, Gang","Bis[2,4-dibromo-6-(<i>N</i>-{4-[(<i>E</i>)-1-(benzyloxyimino)ethyl]phenyl}carboximidoyl)phenolato]copper(II)","Acta Crystallographica Section E","2013","69","5","m267","","10.1107/S1600536813009847","","","0.71073","MoKα","","0.0827","0.041","","","0.0647","0.0775","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238108","9.4145","0.0013","15.7309","0.0017","20.59","0.002","90","","101.781","0.003","90","","2985.1","0.6","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-cyanido-tetracyanido(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)[<i>N</i>-(quinolin-8-yl)quinoline-2-carboxamidato]diiron(III)nickel(II) dihydrate","","- C60 H64.14 Fe2 N16 Ni O4.07 -","- C60 H64.136 Fe2 N16 Ni O4.068 -","- C120 H128.272 Fe4 N32 Ni2 O8.136 -","2","0.5","ZL2544","Yang, Yuqi; Zhou, Hongbo; Shen, Xiaoping","Di-μ-cyanido-tetracyanido(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)[<i>N</i>-(quinolin-8-yl)quinoline-2-carboxamidato]diiron(III)nickel(II) 2.07-hydrate","Acta Crystallographica Section E","2013","69","5","m271","m272","10.1107/S1600536813010234","","","0.71073","MoKα","","0.066","0.0573","","","0.1539","0.1564","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238109","8.2249","0.0019","8.886","0.002","10.814","0.003","73.503","0.004","75.633","0.004","79.579","0.004","728.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","6,8-Dibromo-3-nitro-2-phenyl-2<i>H</i>-chromene","","- C15 H9 Br2 N O3 -","- C15 H9 Br2 N O3 -","- C30 H18 Br4 N2 O6 -","2","1","ZL2545","Yan, Lin-Jie; Zhang, Sheng-Yong","6,8-Dibromo-3-nitro-2-phenyl-2<i>H</i>-chromene","Acta Crystallographica Section E","2013","69","6","o877","","10.1107/S160053681301221X","","","0.71073","MoKα","","0.0629","0.0408","","","0.094","0.1049","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238110","9.0667","0.0002","10.3647","0.0002","10.6838","0.0002","105.395","0.001","93.418","0.001","110.839","0.001","891.33","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Cyclohexyl-3-(2-fluorophenylsulfinyl)-2-methyl-1-benzofuran","","- C21 H21 F O2 S -","- C21 H21 F O2 S -","- C42 H42 F2 O4 S2 -","2","1","ZL2547","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-3-(2-fluorophenylsulfinyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2013","69","6","o894","","10.1107/S1600536813011902","","","0.71073","MoKα","","0.0587","0.0436","","","0.1083","0.1163","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238111","8.079","0.0006","14.187","0.0007","17.6553","0.0012","90","","102.645","0.008","90","","1974.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[diaquabis(selenocyanato-κ<i>N</i>)iron(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ^2^<i>N</i>:<i>N</i>'] 1,2-bis(pyridin-4-yl)ethane disolvate dihydrate]","","- C38 H44 Fe N8 O4 Se2 -","- C38 H44 Fe N8 O4 Se2 -","- C76 H88 Fe2 N16 O8 Se4 -","2","0.5","ZL2548","Wöhlert, Susanne; Jess, Inke; Näther, Christian","<i>catena</i>-Poly[[[diaquabis(selenocyanato-κ<i>N</i>)iron(II)]-μ-1,2-bis(pyridin-4-yl)ethane-κ^2^<i>N</i>:<i>N</i>'] 1,2-bis(pyridin-4-yl)ethane disolvate dihydrate]","Acta Crystallographica Section E","2013","69","6","m320","m321","10.1107/S1600536813012312","","","0.71073","MoKα","","0.0656","0.0449","","","0.1034","0.1194","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238112","7.358","0.0006","17.2445","0.0011","12.1219","0.0009","90","","92.63","0.009","90","","1536.5","0.2","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[bis(methanol-κ<i>O</i>)bis(selenocyanato-κ<i>N</i>)manganese(II)]-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'] 1,2-bis(pyridin-4-yl)ethene monosolvate]","","- C28 H28 Mn N6 O2 Se2 -","- C28 H28 Mn N6 O2 Se2 -","- C56 H56 Mn2 N12 O4 Se4 -","2","0.5","ZL2549","Wöhlert, Susanne; Jess, Inke; Näther, Christian","<i>catena</i>-Poly[[[bis(methanol-κ<i>O</i>)bis(selenocyanato-κ<i>N</i>)manganese(II)]-μ-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>'] 1,2-bis(pyridin-4-yl)ethene monosolvate]","Acta Crystallographica Section E","2013","69","6","m319","","10.1107/S1600536813012609","","","0.71073","MoKα","","0.0545","0.0414","","","0.1046","0.1124","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238113","17.1981","0.0003","17.3466","0.0003","17.8082","0.0004","90","","94.182","0.001","90","","5298.55","0.18","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","<i>N</i>-[3-(Benzyldimethylazaniumyl)propyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium bis(tetraphenylborate)","","- C65 H72 B2 N4 -","- C65 H72 B2 N4 -","- C260 H288 B8 N16 -","4","1","ZL2550","Tiritiris, Ioannis","<i>N</i>-[3-(Benzyldimethylazaniumyl)propyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium bis(tetraphenylborate)","Acta Crystallographica Section E","2013","69","6","o899","","10.1107/S1600536813012786","","","0.71073","MoKα","","0.0605","0.0425","","","0.0984","0.1103","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238114","4.2677","0.0001","14.9344","0.0004","16.7882","0.0004","90","","96.952","0.001","90","","1062.14","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-Diiodoazulene-2-carbonitrile","","- C11 H5 I2 N -","- C11 H5 I2 N -","- C44 H20 I8 N4 -","4","1","ZP2002","Förster, Sebastian; Seichter, Wilhelm; Weber, Edwin","1,3-Diiodoazulene-2-carbonitrile","Acta Crystallographica Section E","2013","69","5","o654","o655","10.1107/S1600536813008301","","","0.71073","MoKα","","0.0313","0.0237","","","0.0554","0.058","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238115","9.681","0.002","11.399","0.003","9.694","0.002","90","","100.85","0.009","90","","1050.6","0.4","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Thiophene-2-carbaldehyde azine","(1<i>E</i>,2<i>E</i>)-Bis[(thiophen-2-yl)methylidene]hydrazine","","- C10 H8 N2 S2 -","- C10 H8 N2 S2 -","- C40 H32 N8 S8 -","4","1","ZP2003","Geiger, David K.; Geiger, H. Cristina; Szczesniak, Laura M.","Thiophene-2-carbaldehyde azine","Acta Crystallographica Section E","2013","69","6","o916","","10.1107/S1600536813013275","","","0.71073","MoKα","","0.086","0.0591","","","0.1377","0.1557","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238116","10.237","0.0003","10.3671","0.0003","14.6501","0.0004","79.804","0.001","79.512","0.001","83.874","0.001","1500.2","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","1,3,5-Tris[(phthalimido)methyl]-2,4,6-trimethoxybenzene","2,2',2''-[(2,4,6-Trimethoxybenzene-1,3,5-triyl)tris(methylene)]tris(isoindole-1,3-dione)","","- C36 H27 N3 O9 -","- C36 H27 N3 O9 -","- C72 H54 N6 O18 -","2","1","ZQ2198","Rosien, Jan-Ruven; Seichter, Wilhelm; Mazik, Monika","2,2',2''-[(2,4,6-Trimethoxybenzene-1,3,5-triyl)tris(methylene)]tris(isoindole-1,3-dione)","Acta Crystallographica Section E","2013","69","5","o680","","10.1107/S1600536813008428","","","0.71073","MoKα","","0.0454","0.0394","","","0.0954","0.1","","","","","","0.956","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238117","9.45","0.0007","12.8824","0.0009","27.295","0.003","90","","90","","90","","3322.9","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-Acetylamino-1,3,4,6-tetra-<i>O</i>-(trimethylsilyl)-2-deoxy-α-<i>D</i>-glucopyranose","","- C20 H47 N O6 Si4 -","- C20 H47 N O6 Si4 -","- C80 H188 N4 O24 Si16 -","4","1","ZQ2199","Cheng, Zhao-Dong; Cui, Yan-Li; Mao, Jian-Wei","2-Acetylamino-1,3,4,6-tetra-<i>O</i>-(trimethylsilyl)-2-deoxy-α-<small>D</small>-glucopyranose","Acta Crystallographica Section E","2013","69","6","o917","","10.1107/S160053681301266X","","","0.71073","MoKα","","0.1004","0.0551","","","0.1284","0.1494","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238118","10.4044","0.0002","10.4947","0.0002","13.7744","0.0003","90","","117.363","0.001","90","","1335.76","0.05","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-(Carbonothioyldisulfanediyl)bis(2-methylpropanoic acid)","","- C9 H14 O4 S3 -","- C9 H14 O4 S3 -","- C36 H56 O16 S12 -","4","1","ZQ2200","Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C.; Tenorio, Juan C.; Ellena, Javier","2,2'-(Carbonothioyldisulfanediyl)bis(2-methylpropanoic acid)","Acta Crystallographica Section E","2013","69","5","o774","","10.1107/S1600536813010179","","","0.71073","MoKα","","0.0421","0.0307","","","0.0792","0.0837","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238119","10.664","0.002","6.6428","0.0013","23.754","0.005","90","","91.11","0.03","90","","1682.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-7-Methyl-3-[(7-methyl-4-oxochroman-3-yl)methyl]-4<i>H</i>-chromen-4-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C84 H72 O16 -","4","1","ZS2250","Somasundaram, M.; Rajendiran, A.; Balasubramanian, K.K.; Krishnasamy, K.; Kabilan, S.","<i>rac</i>-7-Methyl-3-[(7-methyl-4-oxochroman-3-yl)methyl]-4<i>H</i>-chromen-4-one","Acta Crystallographica Section E","2013","69","5","o763","","10.1107/S1600536813009422","","","0.71073","MoKα","","0.1324","0.0586","","","0.1433","0.1798","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238120","9.7508","0.0005","15.0974","0.0007","16.55","0.0007","114.433","0.002","92.903","0.002","97.51","0.002","2184.29","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-Tris(bromomethyl)-2,4,6-trimethoxybenzene","","- C12 H15 Br3 O3 -","- C12 H15 Br3 O3 -","- C72 H90 Br18 O18 -","6","3","ZS2251","Koch, Niklas; Seichter, Wilhelm; Mazik, Monika","1,3,5-Tris(bromomethyl)-2,4,6-trimethoxybenzene","Acta Crystallographica Section E","2013","69","5","o679","","10.1107/S1600536813008441","","","0.71073","MoKα","","0.0439","0.03","","","0.0662","0.0698","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238121","9.292","0.005","9.448","0.005","17.547","0.005","84.097","0.005","84.04","0.005","83.315","0.005","1515.3","1.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","2,4-Dimethoxy-6-[(<i>E</i>)-2-(4-methoxyphenyl)ethenyl]benzaldehyde","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","2","ZS2252","Ge, Xiao-Lin; Guan, Qiu-Xiang; Deng, Sheng-Song; Ruan, Ban-Feng","2,4-Dimethoxy-6-[(<i>E</i>)-2-(4-methoxyphenyl)ethenyl]benzaldehyde","Acta Crystallographica Section E","2013","69","5","o629","","10.1107/S1600536813007964","","","0.71069","MoKα","","0.0938","0.048","","","0.1251","0.1683","","","","","","0.787","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238122","10.779","0.004","10.815","0.003","12.158","0.004","96.091","0.004","110.71","0.004","101.244","0.004","1276.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-(4-Chlorophenyl)-2-(1,3-diazepan-2-ylidene)ethanone","","- C13 H15 Cl N2 O -","- C13 H15 Cl N2 O -","- C52 H60 Cl4 N8 O4 -","4","2","ZS2253","Zhang, Xiao-Wei; Xia, Jian-Hui; Xu, Zhao-Hui; Wang, Li-Ben; Yu, Chu-Yi","1-(4-Chlorophenyl)-2-(1,3-diazepan-2-ylidene)ethanone","Acta Crystallographica Section E","2013","69","6","o971","","10.1107/S1600536813013858","","","0.71073","MoKα","","0.0914","0.0753","","","0.1518","0.1618","","","","","","1.121","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238123","16.1886","0.0007","8.4863","0.0004","21.4316","0.001","90","","93.756","0.004","90","","2938","0.2","290.99","0.1","290.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-{[2-(Pyridin-4-yl)-1<i>H</i>-benzimidazol-1-yl]methyl}phenol","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C152 H120 N24 O8 -","8","1","ZS2254","Omer, Mohammed A. S.; Liu, Jia-cheng; Xiao, Chao-hu","2-{[2-(Pyridin-4-yl)-1<i>H</i>-benzimidazol-1-yl]methyl}phenol","Acta Crystallographica Section E","2013","69","5","o700","","10.1107/S1600536813009458","","","0.7107","MoKα","","0.0594","0.0474","","","0.1105","0.1193","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238124","5.775","0.005","25.55","0.002","7.64","0.001","90","","98.292","0.001","90","","1115.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-amino-5-bromo-1-benzofuran-2-carboxylate","","- C11 H10 Br N O3 -","- C11 H10 Br N O3 -","- C44 H40 Br4 N4 O12 -","4","1","ZS2255","Yamuna, A. J.; Karunakar, P.; Girija, C. R.; Vaidya, V. P.; Krishnamurthy, V.","Ethyl 3-amino-5-bromo-1-benzofuran-2-carboxylate","Acta Crystallographica Section E","2013","69","5","o775","","10.1107/S1600536813010209","","","0.71073","MoKα","","0.0424","0.0331","","","0.072","0.076","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238125","9.4675","0.001","10.1411","0.001","13.7792","0.0012","90","","103.895","0.01","90","","1284.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Phenoxyethyl benzoate","","- C15 H14 O3 -","- C15 H14 O3 -","- C60 H56 O12 -","4","1","ZS2256","Al-Noaimi, Mousa; Warad, Ismail; Haddad, Salim F.; Husein, Ahmad; Shareiah, Rami","2-Phenoxyethyl benzoate","Acta Crystallographica Section E","2013","69","5","o789","","10.1107/S1600536813010878","","","0.71073","MoKα","","0.0741","0.0442","","","0.1056","0.13","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238126","12.362","0.004","8.946","0.003","23.261","0.008","90","","100.762","0.004","90","","2527.2","1.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(5-Nitro-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide","","- C11 H6 F3 N3 O3 S -","- C11 H6 F3 N3 O3 S -","- C88 H48 F24 N24 O24 S8 -","8","2","ZS2257","Liu, Xi-Wang; Zhang, Han; Yang, Ya-Jun; Li, Jian-Yong; Zhang, Ji-Yu","<i>N</i>-(5-Nitro-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide","Acta Crystallographica Section E","2013","69","6","o943","","10.1107/S1600536813011264","","","0.71073","MoKα","","0.1031","0.0691","","","0.1507","0.1751","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238127","10.171","0.001","11.396","0.0011","15.5305","0.0015","90","","105.66","0.002","90","","1733.3","0.3","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(dicyanamido-κ<i>N</i>)[tris(3-aminopropyl)amine-κ^4^<i>N</i>]nickel(II)","","- C13 H24 N10 Ni -","- C13 H24 N10 Ni -","- C52 H96 N40 Ni4 -","4","1","BG2508","Luo, Jun; Zhang, Xin-Rong; Qiu, Li-Juan; Yang, Feng; Liu, Bao-Shu","Bis(dicyanamido-κ<i>N</i>)[tris(3-aminopropyl)amine-κ^4^<i>N</i>]nickel(II)","Acta Crystallographica Section E","2013","69","7","m385","m386","10.1107/S1600536813015651","","","0.71073","MoKα","","0.035","0.0269","","","0.0746","0.0789","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238128","22.256","0.008","7.449","0.007","9.929","0.009","90","","90","","90","","1646","2","298","","298","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Pentaaqua(dimethylformamide)cobalt(II) sulfate dimethylformamide monosolvate","","- C6 H24 Co N2 O11 S -","- C6 H24 Co N2 O11 S -","- C24 H96 Co4 N8 O44 S4 -","4","0.5","BQ2385","Taş, Murat; Çamur, Seval; Topal, Sevim","Pentaaqua(dimethylformamide)cobalt(II) sulfate dimethylformamide monosolvate","Acta Crystallographica Section E","2013","69","7","m373","","10.1107/S1600536813012841","","","0.7107","MoKα","","0.0496","0.0413","","","0.0939","0.1002","","","","","","1.143","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238129","7.5835","0.0002","12.3652","0.0003","12.4893","0.0003","66.878","0.002","78.678","0.003","83.222","0.003","1055.01","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-nicotinamide-κ^2^<i>N</i>^1^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^1^-bis[aquabis(3-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]","","- C40 H32 Cd2 Cl4 N4 O12 -","- C40 H32 Cd2 Cl4 N4 O12 -","- C40 H32 Cd2 Cl4 N4 O12 -","1","0.5","BQ2387","Bozkurt, Nihat; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Di-μ-nicotinamide-κ^2^<i>N</i>^1^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^1^-bis[aquabis(3-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]","Acta Crystallographica Section E","2013","69","7","m389","m390","10.1107/S1600536813015948","","","0.71073","MoKα","","0.0208","0.0198","","","0.0515","0.0519","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238130","10.2327","0.0008","13.9389","0.0009","6.6567","0.0004","90","","90","","90","","949.46","0.11","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","Lead(II) manganese(II/III) phosphate(V)","","- Mn3 O12 P3 Pb -","- Mn3 O12 P3 Pb -","- Mn12 O48 P12 Pb4 -","4","0.25","BR2227","Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","A new mixed-valence lead(II) manganese(II/III) phosphate(V): PbMn^II^~2~Mn^III^(PO~4~)~3~","Acta Crystallographica Section E","2013","69","7","i40","","10.1107/S1600536813016504","","","0.71073","MoKα","","0.0168","0.0162","","","0.0393","0.0395","","","","","","1.106","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238131","7.0288","0.0006","13.5001","0.0007","17.9271","0.0011","91.878","0.005","93.431","0.006","91.548","0.006","1696.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)- 1-(2,4-Dinitrobenzylidene)-2,2-diphenylhydrazine","","- C19 H14 N4 O4 -","- C19 H14 N4 O4 -","- C76 H56 N16 O16 -","4","2","BT6909","Meléndrez-Luévano, Ruth; Cabrera-Vivas, Blanca M.; Flores-Alamo, Marcos; Ramirez, Juan C.; Conde-Sánchez, Pedro","(<i>E</i>)-1-(2,4-Dinitrobenzylidene)-2,2-diphenylhydrazine","Acta Crystallographica Section E","2013","69","7","o1039","","10.1107/S1600536813014360","","","0.71073","MoKα","","0.0914","0.0396","","","0.0725","0.0794","","","","","","1.006","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238132","3.754","0.005","15.696","0.005","23.149","0.005","90","0.005","93.491","0.005","90","0.005","1361.5","1.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-{(<i>E</i>)-[(2-Methyl-3-nitrophenyl)imino]methyl}-4-nitrophenol","","- C14 H11 N3 O5 -","- C14 H11 N3 O5 -","- C56 H44 N12 O20 -","4","1","BT6911","Tanak, Hasan; Toğurman, Ferhat; Kalecik, Sedanur; Dege, Necmi; Yavuz, Metin","2-{(<i>E</i>)-[(2-Methyl-3-nitrophenyl)imino]methyl}-4-nitrophenol","Acta Crystallographica Section E","2013","69","7","o1085","","10.1107/S1600536813015407","","","0.71073","MoKα","","0.2258","0.095","","","0.1766","0.2287","","","","","","0.971","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238133","13.763","0.0004","6.0841","0.0002","17.5003","0.0006","90","","105.726","0.002","90","","1410.54","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-[(<i>E</i>)-2-(4-Chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-one","","- C16 H17 Cl O -","- C16 H17 Cl O -","- C64 H68 Cl4 O4 -","4","1","BT6912","Fatima, Zeenat; Senthilkumar, Govindaraj; Vadivel, A.; Manikandan, Haridoss; Velmurugan, Devadasan","3-[(<i>E</i>)-2-(4-Chlorophenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-one","Acta Crystallographica Section E","2013","69","7","o1121","","10.1107/S1600536813016255","","","0.71073","MoKα","","0.0615","0.0441","","","0.1158","0.1298","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238134","7.8805","0.0008","8.4673","0.0012","12.3973","0.0014","104.166","0.011","94.502","0.009","104.145","0.01","769.29","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-Methoxy-4-(prop-2-en-1-yl)phenyl 2,4-dichlorobenzoate","","- C17 H14 Cl2 O3 -","- C17 H14 Cl2 O3 -","- C34 H28 Cl4 O6 -","2","1","BT6913","Pichika, Mallikarjuna Rao; Kang, Yew Beng; Ng, Seik Weng","2-Methoxy-4-(prop-2-en-1-yl)phenyl 2,4-dichlorobenzoate","Acta Crystallographica Section E","2013","69","7","o1089","","10.1107/S1600536813015675","","","0.71073","MoKα","","0.1209","0.0819","","","0.2233","0.2693","","","","","","1.091","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238135","9.9334","0.0006","9.5124","0.0005","14.9463","0.0009","90","","103.405","0.006","90","","1373.81","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Methoxy-4-(prop-2-en-1-yl)phenyl benzoate","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","BT6914","Pichika, Mallikarjuna Rao; Kang, Yew Beng; Ng, Seik Weng","2-Methoxy-4-(prop-2-en-1-yl)phenyl benzoate","Acta Crystallographica Section E","2013","69","7","o1088","","10.1107/S1600536813015791","","","0.71073","MoKα","","0.0799","0.0514","","","0.1149","0.1383","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238136","21.367","0.005","4.6382","0.0011","13.003","0.003","90","","105.468","0.012","90","","1242","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>'-Hydroxypyridine-2-carboximidamide","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C48 H56 N24 O8 -","8","1","BT6916","Suchetan, P. A.; Sreenivasa, S.; Palakshamurthy, B. S.; Madhu Chakrapani Rao, T.; Vijithkumar","<i>N</i>'-Hydroxypyridine-2-carboximidamide","Acta Crystallographica Section E","2013","69","7","o1180","","10.1107/S1600536813017418","","","0.71073","MoKα","","0.0344","0.0306","","","0.078","0.081","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238137","11.8815","0.0008","5.2219","0.0003","18.9588","0.0012","90","","102.876","0.002","90","","1146.7","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{2-[(5-hydroxypentyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>^1^}copper(II)","","- C24 H32 Cu N2 O4 -","- C24 H32 Cu N2 O4 -","- C48 H64 Cu2 N4 O8 -","2","0.5","BV2221","Modak, Ritwik; Patra, Santu; Mandal, Senjuti; Sikdar, Yeasin; Goswami, Sanchita","Bis{2-[(5-hydroxypentyl)iminomethyl]phenolato-κ^2^<i>N</i>,<i>O</i>^1^}copper(II)","Acta Crystallographica Section E","2013","69","7","m412","m413","10.1107/S1600536813016802","","","0.71073","MoKα","","0.0355","0.0299","","","0.09","0.0957","","","","","","0.947","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238138","14.5432","0.0004","14.5432","0.0004","14.9445","0.001","90","","90","","120","","2737.4","0.2","185","2","185","2","","","","","","","","4","R -3 :H","-R 3","148","","Poly[hexaaqua(μ~9~-cyclohexane-1,2,3,4,5,6-hexacarboxylato)trimanganese(II)]","","- C12 H18 Mn3 O18 -","- C12 H18 Mn3 O18 -","- C72 H108 Mn18 O108 -","6","0.333333","BX2441","Sun, Weixuan; Zang, Hu; Quan, Chengshi","Poly[hexaaqua(μ~9~-cyclohexane-1,2,3,4,5,6-hexacarboxylato)trimanganese(II)]","Acta Crystallographica Section E","2013","69","7","m384","","10.1107/S1600536813015626","","","0.71073","MoKα","","0.0278","0.025","","","0.0628","0.064","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238139","8.9147","0.0001","10.127","0.0002","10.5101","0.0002","90.376","0.001","110.407","0.001","97.439","0.001","880.44","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Cyclohexyl-3-(3-fluorophenylsulfinyl)-2-methyl-1-benzofuran","","- C21 H21 F O2 S -","- C21 H21 F O2 S -","- C42 H42 F2 O4 S2 -","2","1","BX2442","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-3-(3-fluorophenylsulfinyl)-2-methyl-1-benzofuran","Acta Crystallographica Section E","2013","69","7","o1026","","10.1107/S160053681301475X","","","0.71073","MoKα","","0.0468","0.0424","","","0.1198","0.1244","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238140","10.36","0.003","10.823","0.004","11.123","0.004","90","","98.27","0.02","90","","1234.2","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,5-Diamino-3-[(<i>E</i>,<i>E</i>)-4-(4,5-diamino-4<i>H</i>-1,2,4-triazol-3-yl)buta-1,3-dienyl]-4<i>H</i>-1,2,4-triazol-1-ium chloride","","- C8 H13 Cl N10 -","- C8 H13 Cl N10 -","- C32 H52 Cl4 N40 -","4","0.5","BX2445","Centore, Roberto; Piccialli, Vincenzo","4,5-Diamino-3-[(<i>E</i>,<i>E</i>)-4-(4,5-diamino-4<i>H</i>-1,2,4-triazol-3-yl)buta-1,3-dienyl]-4<i>H</i>-1,2,4-triazol-1-ium chloride","Acta Crystallographica Section E","2013","69","7","o1131","o1132","10.1107/S1600536813016589","","","0.71073","MoKα","","0.0779","0.047","","","0.112","0.128","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238141","11.2203","0.0007","13.5658","0.0007","24.1946","0.0013","90","","90","","90","","3682.7","0.4","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)naphthalen-1-amine","","- C25 H19 N -","- C25 H19 N -","- C200 H152 N8 -","8","1","CV5411","Lee, Jae Kyun; Nam, Kee Dal; Cha, Joo Hwan; Cho, Yong Seo; Lee, Joon Kyun","(<i>E</i>)-<i>N</i>-(3,3-Diphenylallylidene)naphthalen-1-amine","Acta Crystallographica Section E","2013","69","7","o1025","","10.1107/S1600536813014888","","","0.71075","MoKα","","0.1245","0.0611","","","0.1479","0.1968","","","","","","0.945","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238142","6.5174","0.0004","13.1221","0.0008","16.3066","0.0009","90","","100.194","0.001","90","","1372.56","0.14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Dichloridobis(pyridine-2-selenolato-κ^2^<i>N</i>,<i>Se</i>)tin(IV)","","- C10 H8 Cl2 N2 Se2 Sn -","- C10 H8 Cl2 N2 Se2 Sn -","- C40 H32 Cl8 N8 Se8 Sn4 -","4","0.5","CV5413","Mammadova, Gunay Z.; Ismaylova, Sheyda R.; Matsulevich, Zhanna V.; Osmanov, Vladimir K.; Borisov, Alexander V.; Khrustalev, Victor N.","Dichloridobis(pyridine-2-selenolato-κ^2^<i>N</i>,<i>Se</i>)tin(IV)","Acta Crystallographica Section E","2013","69","7","m364","m365","10.1107/S1600536813014657","","","0.71073","MoKα","","0.0334","0.0259","","","0.0591","0.0626","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238143","7.7223","0.0015","10.232","0.002","12.648","0.003","85.938","0.003","80.796","0.003","79.55","0.003","969.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1,5-Bis(2-methoxybenzylidene)thiocarbonohydrazide methanol monosolvate","","- C18 H22 N4 O3 S -","- C18 H22 N4 O3 S -","- C36 H44 N8 O6 S2 -","2","1","CV5415","Yu, Jianfeng; Tang, Shiming; Zeng, Jingbin; Yan, Zifeng","1,5-Bis(2-methoxybenzylidene)thiocarbonohydrazide methanol monosolvate","Acta Crystallographica Section E","2013","69","7","o1147","","10.1107/S1600536813016954","","","0.71073","MoKα","","0.0594","0.049","","","0.1475","0.171","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238144","10.372","0.0017","11.138","0.0014","11.167","0.001","69.428","0.01","86.87","0.011","70.379","0.01","1134.7","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","{4-Bromo-2-[(2-{(ethylsulfanyl)[(2-oxidobenzylidene-κ<i>O</i>)amino-κ<i>N</i>]methylidene}hydrazinylidene-κ<i>N</i>^1^)methyl]phenolato-κ<i>O</i>}(ethanol-κ<i>O</i>)dioxidouranium(VI)","","- C19 H20 Br N3 O5 S U -","- C18.9988 H19.998 Br N3 O5 S0.9996 U -","- C37.9976 H39.996 Br2 N6 O10 S1.9992 U2 -","2","1","CV5416","Centore, Roberto; Ahmadi, Mehdi; Peluso, Andrea","{4-Bromo-2-[(2-{(ethylsulfanyl)[(2-oxidobenzylidene-κ<i>O</i>)amino-κ<i>N</i>]methylidene}hydrazinylidene-κ<i>N</i>^1^)methyl]phenolato-κ<i>O</i>}(ethanol-κ<i>O</i>)dioxidouranium(VI)","Acta Crystallographica Section E","2013","69","7","m362","m363","10.1107/S1600536813014669","","","0.71073","MoKα","","0.0446","0.0286","","","0.0606","0.0679","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238145","10.247","0.004","6.395","0.002","36.265","0.012","90","","104.511","0.012","90","","2300.6","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Diphenyl-9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonamide","","- C26 H18 N2 O6 S2 -","- C26 H18 N2 O6 S2 -","- C104 H72 N8 O24 S8 -","4","1","CV5417","Yuan, Wei-Guan; Zhang, Hong-Ling","<i>N</i>,<i>N</i>'-Diphenyl-9,10-dioxo-9,10-dihydroanthracene-2,7-disulfonamide","Acta Crystallographica Section E","2013","69","7","o1172","","10.1107/S1600536813017303","","","0.71073","MoKα","","0.1547","0.0594","","","0.1125","0.1464","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238146","8.0199","0.0001","9.4807","0.0001","10.4971","0.0002","108.339","0.001","94.91","0.001","90.535","0.001","754.268","0.019","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(3-Methoxyphenyl)-4,5-dimethyl-2-phenyl-1<i>H</i>-imidazole","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C36 H36 N4 O2 -","2","1","CV5418","Rizwana Begum, S.; Hema, R.; Srinivasan, N.; Anitha, A. G.","1-(3-Methoxyphenyl)-4,5-dimethyl-2-phenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2013","69","7","o1154","","10.1107/S1600536813016966","","","0.71073","MoKα","","0.0574","0.0464","","","0.1329","0.1484","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238147","9.112","0.0018","9.938","0.0002","10.135","0.0002","81.1","0.03","80.71","0.03","86.7","0.03","894.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-[(5-Methylthiophen-2-yl)methylidene]malononitrile","","- C9 H6 N2 S -","- C9 H6 N2 S -","- C36 H24 N8 S4 -","4","2","DS2229","Liu, Xuewei; Chen, Zhengbang; Cao, Weiwei; Gan, Haifeng; Guo, Kai","2-[(5-Methylthiophen-2-yl)methylidene]malononitrile","Acta Crystallographica Section E","2013","69","7","o1003","","10.1107/S1600536813014487","","","0.71073","MoKα","","0.175","0.0697","","","0.084","0.1024","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238148","7.139","0.0013","9.6189","0.0013","10.4756","0.0015","93.767","0.011","101.546","0.014","90.644","0.013","703.05","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Boric acid‒1,10-phenanthroline (2/1)","","- C12 H14 B2 N2 O6 -","- C12 H14 B2 N2 O6 -","- C24 H28 B4 N4 O12 -","2","1","EZ2287","Mirjafari, Arsalan; Pham, Lam; Smith, Philip J.; Sykora, Richard E.; Davis, Jr, James H.","A co-crystal of 1,10-phenanthroline with boric acid: a novel aza-aromatic complex","Acta Crystallographica Section E","2013","69","7","o1067","o1068","10.1107/S1600536813015134","","","0.71073","MoKα","","0.0529","0.0362","","","0.0859","0.0962","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238149","9.5405","0.0002","10.943","0.0009","19.2901","0.0006","90","","90","","90","","2013.92","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Methyl-1,1-diphenyl-2-[(4<i>S</i>)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","FB2285","Jia, Wen-Xiao; Hu, Yu-Lai; Huang, Dang-Feng; Niu, Teng; Ma, Yan-Jun","2-Methyl-1,1-diphenyl-2-[(4<i>S</i>)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol","Acta Crystallographica Section E","2013","69","7","o1022","","10.1107/S1600536813014670","","","0.71073","MoKα","","0.0551","0.0454","","","0.0957","0.1018","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238150","7.8963","0.0019","9.164","0.002","9.244","0.002","73.028","0.004","76.547","0.004","77.824","0.004","614.8","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","1,4,10,13-Tetraoxa-7,16-diazoniacyclooctadecane bis(1<i>H</i>-pyrrole-2-carboxylate)","","- C22 H36 N4 O8 -","- C22 H36 N4 O8 -","- C22 H36 N4 O8 -","1","0.5","FF2108","Zeng, Fanglei; Yin, Zhenming","1,4,10,13-Tetraoxa-7,16-diazoniacyclooctadecane bis(1<i>H</i>-pyrrole-2-carboxylate)","Acta Crystallographica Section E","2013","69","7","o1108","","10.1107/S1600536813016176","","","0.71073","MoKα","","0.0683","0.0416","","","0.0987","0.1129","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238151","13.918","0.0009","7.198","0.0005","11.6509","0.0012","90","","125.249","0.001","90","","953.2","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(1<i>H</i>-Imidazol-4-yl)methanol","","- C4 H6 N2 O -","- C4 H6 N2 O -","- C32 H48 N16 O8 -","8","1","FJ2622","Sanders, Marisa B.; Farrokh, John C.; Hardie, Joseph; Chan, Benny C.","(1<i>H</i>-Imidazol-4-yl)methanol","Acta Crystallographica Section E","2013","69","7","o1151","","10.1107/S160053681301636X","","","0.71073","MoKα","","0.0368","0.0349","","","0.0925","0.0945","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238152","6.8487","0.0002","7.4436","0.0002","21.8378","0.0005","90","","91.833","0.001","90","","1112.7","0.05","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(Naphthalen-1-yl)pyridine","","- C15 H11 N -","- C15 H11 N -","- C60 H44 N4 -","4","1","FJ2629","Vetter, Antje; Seichter, Wilhelm; Weber, Edwin","4-(Naphthalen-1-yl)pyridine","Acta Crystallographica Section E","2013","69","7","o1033","","10.1107/S1600536813014372","","","0.71073","MoKα","","0.0579","0.0468","","","0.1323","0.1469","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238153","5.1144","0.0001","17.8029","0.0004","16.5365","0.0005","90","","97.009","0.002","90","","1494.42","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Bromo-1,3-bis[(1,3-dioxolan-2-yl)methyl]-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one","","- C14 H16 Br N3 O5 -","- C14 H16 Br N3 O5 -","- C56 H64 Br4 N12 O20 -","4","1","FJ2631","Kandri Rodi, Youssef; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; Essassi, El Mokhtar; El Ammari, Lahcen","6-Bromo-1,3-bis[(1,3-dioxolan-2-yl)methyl]-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","7","o1029","o1030","10.1107/S1600536813014591","","","0.71073","MoKα","","0.0508","0.0346","","","0.0825","0.0888","","","","","","1.019","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238154","10.964","0.002","9.155","0.001","14.74","0.002","90","","92.98","0.01","90","","1477.5","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3β,6α-Diacetoxy-5,9α-dihydroxy-5α-cholest-7-en-11-one","","- C31 H48 O7 -","- C31 H48 O7 -","- C62 H96 O14 -","2","1","FJ2632","Piccialli, Vincenzo; Tuzi, Angela; Oliviero, Giorgia; Borbone, Nicola; Centore, Roberto","3β,6α-Diacetoxy-5,9α-dihydroxy-5α-cholest-7-en-11-one","Acta Crystallographica Section E","2013","69","7","o1109","o1110","10.1107/S1600536813016206","","","0.71073","MoKα","","0.0909","0.047","","","0.087","0.1065","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238155","9.4097","0.0005","9.2191","0.0005","18.7473","0.0009","90","","90","","90","","1626.31","0.15","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(2<i>S</i>*,5<i>R</i>*)-2,5-Dimethyl-1,4-bis(pyridin-2-ylmethyl)piperazine","","- C18 H24 N4 -","- C18 H24 N4 -","- C72 H96 N16 -","4","0.5","FJ2633","Goh, Christopher; Morris, Lilliana S.; Girouard, Michael P.; Chidanguro, Tamuka; Jasinski, Jerry P.","(2<i>S</i>*,5<i>R</i>*)-2,5-Dimethyl-1,4-bis(pyridin-2-ylmethyl)piperazine","Acta Crystallographica Section E","2013","69","7","o1101","","10.1107/S160053681301605X","","","1.5418","CuKα","","0.0477","0.0444","","","0.127","0.1311","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238156","10.016","0.0008","22.661","0.002","10.2611","0.0011","90","","101.392","0.005","90","","2283.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-[(<i>E</i>)-4-Benzyloxy-2-hydroxybenzylidene]-4-nitrobenzohydrazide dimethylformamide monosolvate","","- C24 H24 N4 O6 -","- C24 H24 N4 O6 -","- C96 H96 N16 O24 -","4","1","FJ2634","Joseph, Bibitha; Sithambaresan, M.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-4-Benzyloxy-2-hydroxybenzylidene]-4-nitrobenzohydrazide dimethylformamide monosolvate","Acta Crystallographica Section E","2013","69","7","o1160","o1161","10.1107/S1600536813017091","","","0.71073","MoKα","","0.0987","0.0528","","","0.1368","0.1759","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238157","7.917","0.002","8.739","0.002","9.574","0.003","70.415","0.013","81.985","0.014","73.283","0.013","597","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3,3-Bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-en-1-one","","- C11 H11 N O3 S2 -","- C11 H11 N O3 S2 -","- C22 H22 N2 O6 S4 -","2","1","FY2092","Yu, Guan-Neng; Xia, Jian-Hui; Xu, Zhao-Hui; Wang, Li-Ben; Yu, Chu-Yi","3,3-Bis(methylsulfanyl)-1-(4-nitrophenyl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","7","o1036","","10.1107/S1600536813014542","","","0.71073","MoKα","","0.0639","0.0551","","","0.1103","0.1145","","","","","","1.152","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238158","12.5736","0.0007","8.3815","0.0004","17.4945","0.0008","90","","112.151","0.002","90","","1707.59","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 4-(4-chlorophenyl)-2-methyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate","","- C19 H18 Cl N O3 -","- C19 H18 Cl N O3 -","- C76 H72 Cl4 N4 O12 -","4","1","FY2095","Wang, Ke; Wang, Weike; Wang, Yifeng; Xu, Danqian","Ethyl 4-(4-chlorophenyl)-2-methyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate","Acta Crystallographica Section E","2013","69","7","o1127","","10.1107/S1600536813016541","","","0.71073","MoKα","","0.0726","0.0498","","","0.1109","0.1275","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238159","9.5037","0.0006","12.4162","0.001","24.8982","0.0018","90","","90","","90","","2938","0.4","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3<i>R</i>*,6<i>R</i>*,4'<i>S</i>*,8'<i>R</i>*,3''<i>R</i>*,6''<i>R</i>*)-3,3''-Diisopropyl-6,6''-dimethyl-2',6'-diphenyldispiro[cyclohexane-1,4'-(3,7-dioxa-2,6-diazabicyclo[3.3.0]octane)-8',1''-cyclohexane]-2,2''-dione","","- C34 H44 N2 O4 -","- C34 H44 N2 O4 -","- C136 H176 N8 O16 -","4","1","FY2097","Ansari, Abdeslam; Majidi, Lhou; Fihi, Rachid; Daran, Jean-Claude; Azrour, Mohamed","(3<i>R</i>*,6<i>R</i>*,4'<i>S</i>*,8'<i>R</i>*,3''<i>R</i>*,6''<i>R</i>*)-3,3''-Diisopropyl-6,6''-dimethyl-2',6'-diphenyldispiro[cyclohexane-1,4'-(3,7-dioxa-2,6-diazabicyclo[3.3.0]octane)-8',1''-cyclohexane]-2,2''-dione","Acta Crystallographica Section E","2013","69","7","o1162","o1163","10.1107/S1600536813017054","","","0.71073","MoKα","","0.0862","0.0446","","","0.0714","0.0796","","","","","","0.865","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238160","7.2094","0.0003","14.8067","0.0006","18.1459","0.0007","109.797","0.002","99.921","0.003","92.056","0.003","1785.99","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4,7-Diphenyl-1,10-phenanthroline methanol hemisolvate","","- C24.5 H18 N2 O0.5 -","- C24.5 H18 N2 O0.5 -","- C98 H72 N8 O2 -","4","2","FY2098","Martins, João P.; Martín-Ramos, Pablo; Sobral, Abílio J. F. N.; Ramos Silva, Manuela","4,7-Diphenyl-1,10-phenanthroline methanol hemisolvate","Acta Crystallographica Section E","2013","69","7","o1018","","10.1107/S1600536813014682","","","0.71073","MoKα","","0.1221","0.057","","","0.1367","0.1701","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238161","6.441","0.001","7.018","0.001","9.298","0.002","99.05","0.03","96.7","0.03","100.54","0.03","403.46","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Methyl <i>N</i>-(dimethoxyphosphoryl)carbamate","","- C4 H10 N O5 P -","- C4 H10 N O5 P -","- C8 H20 N2 O10 P2 -","2","1","GG2115","Ovchynnikov, Vladimir","Methyl <i>N</i>-(dimethoxyphosphoryl)carbamate","Acta Crystallographica Section E","2013","69","7","o1188","o1189","10.1107/S1600536813017637","","","0.71069","MoKα","","0.0505","0.048","","","0.1319","0.1333","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238162","12.3698","0.0008","7.9967","0.0005","17.4195","0.001","90","","100.323","0.004","90","","1695.2","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Fluoro-2-(4-fluorophenyl)-7-methyl-3-phenylsulfinyl-1-benzofuran","","- C21 H14 F2 O2 S -","- C21 H14 F2 O2 S -","- C84 H56 F8 O8 S4 -","4","1","GG2118","Seo, Pil Ja; Choi, Hong Dae; Lee, Uk","5-Fluoro-2-(4-fluorophenyl)-7-methyl-3-phenylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2013","69","7","o1187","","10.1107/S1600536813017583","","","0.71073","MoKα","","0.0664","0.0442","","","0.1115","0.1229","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238163","10.0451","0.0002","15.0631","0.0005","12.2008","0.0004","90","","123.257","0.002","90","","1543.75","0.09","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(±)-3-(5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-benzofuran-1(3<i>H</i>)-one","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","GG2119","Moreno-Fuquen, Rodolfo; Castillo, Juan C.; Abonia, Rodrigo; Ellena, Javier; Tenorio, Juan C.","(±)-3-(5-Amino-3-methyl-1-phenyl-1<i>H</i>-pyrazol-4-yl)-2-benzofuran-1(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","7","o1181","o1182","10.1107/S1600536813017479","","","0.71073","MoKα","","0.0926","0.0564","","","0.1452","0.1733","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238164","40.5848","0.0004","5.32093","0.00005","13.071","0.0001","90","","90","","90","","2822.67","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P b c n","-P 2n 2ab","60","","Methyl 3-(10-bromoanthracen-9-yl)prop-2-enoate","","- C18 H13 Br O2 -","- C18 H13 Br O2 -","- C144 H104 Br8 O16 -","8","1","GK2574","Bugenhagen, Bernhard; Al Jasem, Yosef; al Hindawi, Bassam; Al Rawashdeh, Nathir; Thiemann, Thies","(<i>E</i>)-Methyl 3-(10-bromoanthracen-9-yl)acrylate","Acta Crystallographica Section E","2013","69","7","o1138","o1139","10.1107/S1600536813016905","","","1.5418","CuKα","","0.0274","0.0264","","","0.0656","0.0659","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238165","7.8796","0.0006","22.5891","0.0015","9.4626","0.0007","90","","110.446","0.003","90","","1578.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-(4-Methylphenylsulfonyl)piperazin-1-ium trifluoroacetate","","- C13 H17 F3 N2 O4 S -","- C13 H17 F3 N2 O4 S -","- C52 H68 F12 N8 O16 S4 -","4","1","GK2578","Sreenivasa, S.; Mohan, N. R.; Madhu Chakrapani Rao, T.; Suchetan, P. A.; Palakshamurthy, B. S.; Vijithkumar","4-(4-Methylphenylsulfonyl)piperazin-1-ium trifluoroacetate","Acta Crystallographica Section E","2013","69","7","o1112","","10.1107/S1600536813015900","","","0.71073","MoKα","","0.044","0.0371","","","0.0893","0.094","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238166","5.8947","0.0009","7.6941","0.0012","14.029","0.002","83.273","0.007","80.086","0.007","72.44","0.006","596.13","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'-[(<i>E</i>)-4-Bromobenzylidene]pyrazine-2-carbohydrazide","","- C12 H9 Br N4 O -","- C12 H9 Br N4 O -","- C24 H18 Br2 N8 O2 -","2","1","GK2580","Hameed, Shahid; Ahmad, Mushtaq; Tahir, M. Nawaz; Shah, Muhammad Abdullah; Shad, Hazoor Ahmad","<i>N</i>'-[(<i>E</i>)-4-Bromobenzylidene]pyrazine-2-carbohydrazide","Acta Crystallographica Section E","2013","69","7","o1141","","10.1107/S1600536813016917","","","0.71073","MoKα","","0.0981","0.0389","","","0.0713","0.0842","","","","","","0.943","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238167","21.3085","0.0006","18.6249","0.0004","7.48851","0.00019","90","","90","","90","","2971.96","0.13","291","2","291.15","","","","","","","","","4","P c c n","-P 2ab 2ac","56","piribedil","2-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidine","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C128 H144 N32 O16 -","8","1","GK2582","Wu, Chunli; Li, Jieming; Wei, Huijie; Hang, Ye; Jiang, Yueming","2-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}pyrimidine","Acta Crystallographica Section E","2013","69","7","o1140","","10.1107/S1600536813016851","","","1.5418","CuKα","","0.0486","0.0389","","","0.1049","0.1124","","","","","","1.029","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238168","20.5074","0.0007","15.4134","0.0005","9.8568","0.0003","90","","90","","90","","3115.62","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>-[3-(Dimethylamino)propyl]-<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethylguanidinium tetraphenylborate","","- C35 H47 B N4 -","- C35 H47 B N4 -","- C140 H188 B4 N16 -","4","1","GO2091","Tiritiris, Ioannis","<i>N</i>-[3-(Dimethylamino)propyl]-<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-pentamethylguanidinium tetraphenylborate","Acta Crystallographica Section E","2013","69","7","o1040","","10.1107/S1600536813014906","","","0.71073","MoKα","","0.0826","0.0574","","","0.1264","0.1368","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238169","12.6447","0.0003","7.168","0.0002","19.2382","0.0005","90","","100.592","0.002","90","","1713.99","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Ethylsulfinyl-2-(3-fluorophenyl)-5-phenyl-1-benzofuran","","- C22 H17 F O2 S -","- C22 H17 F O2 S -","- C88 H68 F4 O8 S4 -","4","1","GO2092","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-Ethylsulfinyl-2-(3-fluorophenyl)-5-phenyl-1-benzofuran","Acta Crystallographica Section E","2013","69","7","o1093","","10.1107/S1600536813015924","","","0.71073","MoKα","","0.0594","0.0464","","","0.1194","0.1281","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238170","17.083","0.002","12.139","0.003","13.597","0.002","90","","90.76","0.01","90","","2819.4","0.9","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Naphthalene-1,8-diamine‒2-(pyrimidin-2-yl)-1<i>H</i>-perimidine (2/1)","","- C35 H30 N8 -","- C35 H30 N8 -","- C140 H120 N32 -","4","1","GO2093","Cucciolito, Maria Elena; Panunzi, Barbara; Ruffo, Francesco; Tuzi, Angela","Naphthalene-1,8-diamine‒2-(pyrimidin-2-yl)-1<i>H</i>-perimidine (2/1)","Acta Crystallographica Section E","2013","69","7","o1133","o1134","10.1107/S1600536813016796","","","0.71073","MoKα","","0.1434","0.0649","","","0.1168","0.1416","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238171","8.4925","0.0002","13.0302","0.0004","14.1381","0.0009","90","","90","","90","","1564.51","0.12","293.69","0.1","293.69","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","8β-Ethoxyeremophil-3,7(11)-diene-8α,12;6α,15-diolide","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","HB7083","Fei, Dong-Qing; Dong, Le-Le; Li, Hui-Hong; Zhang, Zhan-Xin","8β-Ethoxyeremophil-3,7(11)-diene-8α,12;6α,15-diolide","Acta Crystallographica Section E","2013","69","7","o1087","","10.1107/S1600536813015729","","","1.5418","CuKα","","0.0383","0.0368","","","0.1004","0.1025","","","","","","1.03","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238172","21.324","0.004","9.148","0.0018","12.95","0.003","90","","116.36","0.03","90","","2263.5","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Nitro-<i>N</i>^2^-(pyridin-4-ylmethylidene)benzene-1,2-diamine","","- C12 H10 N4 O2 -","- C12 H10 N4 O2 -","- C96 H80 N32 O16 -","8","1","HB7085","Liu, Guang-Lin; Sun, Jun; Zhang, Jing-Chao; Mei, Jie; Guo, Cheng","4-Nitro-<i>N</i>^2^-(pyridin-4-ylmethylidene)benzene-1,2-diamine","Acta Crystallographica Section E","2013","69","7","o1073","","10.1107/S1600536813015481","","","0.71073","MoKα","","0.1067","0.0575","","","0.1435","0.1747","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238173","9.3438","0.0003","11.3626","0.0004","13.5713","0.0004","68.687","0.001","88.284","0.001","66.757","0.001","1222.49","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-(4-Methoxyphenyl)-6a-nitro-6,6a,6b,7,8,9,10,12a-octahydrospiro[chromeno[3,4-<i>a</i>]indolizine-12,3'-indolin]-2'-one","","- C29 H27 N3 O5 -","- C29 H27 N3 O5 -","- C58 H54 N6 O10 -","2","1","HB7087","Devi, Seenivasan Karthiga; Srinivasan, Thothadri; Rao, Jonnalagadda Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","6-(4-Methoxyphenyl)-6a-nitro-6,6a,6b,7,8,9,10,12a-octahydrospiro[chromeno[3,4-<i>a</i>]indolizine-12,3'-indolin]-2'-one","Acta Crystallographica Section E","2013","69","7","o1047","","10.1107/S1600536813015341","","","0.71073","MoKα","","0.0503","0.0421","","","0.111","0.1191","","","","","","1.033","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238174","17.826","0.007","13.358","0.005","7.12","0.003","90","","90","","90","","1695.4","1.2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","2,2'-(Disulfanediyl)dianilinium dichloride dihydrate","","- C12 H18 Cl2 N2 O2 S2 -","- C12 H18 Cl2 N2 O2 S2 -","- C48 H72 Cl8 N8 O8 S8 -","4","1","HB7089","Bouchareb, Hasna; Boudraa, Mhamed; Bouacida, Sofiane; Merazig, Hocin","2,2'-(Disulfanediyl)dianilinium dichloride dihydrate","Acta Crystallographica Section E","2013","69","7","o1078","o1079","10.1107/S1600536813015742","","","0.71073","MoKα","","0.1109","0.063","","","0.1183","0.1336","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238175","8.4047","0.0003","8.7285","0.0003","19.5086","0.0007","90","","94.113","0.002","90","","1427.47","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-1-(Pyridin-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","1","HB7090","Chantrapromma, Suchada; Suwunwong, Thitipone; Boonnak, Nawong; Fun, Hoong-Kun","(2<i>E</i>)-1-(Pyridin-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","7","o1076","o1077","10.1107/S1600536813015821","","","0.71073","MoKα","","0.1081","0.0665","","","0.1636","0.1884","","","","","","1.066","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238176","12.29","0.008","13.548","0.009","17.24","0.011","90","","90","","90","","2871","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>N</i>-[(2-Chlorophenyl)sulfonyl]-3-nitrobenzamide","","- C13 H9 Cl N2 O5 S -","- C13 H9 Cl N2 O5 S -","- C104 H72 Cl8 N16 O40 S8 -","8","1","HB7091","Sreenivasa, S.; Darshan, D.; Lohith, T. N.; Mamatha, G. R.; Palakshamurthy, B. S.; Suchetan, P. A.","<i>N</i>-[(2-Chlorophenyl)sulfonyl]-3-nitrobenzamide","Acta Crystallographica Section E","2013","69","7","o1090","","10.1107/S1600536813015912","","","0.71073","MoKα","","0.0469","0.0391","","","0.0897","0.0948","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238177","9.724","0.002","10.007","0.002","10.755","0.002","99.56","0.01","114.667","0.008","110.283","0.009","830.7","0.3","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","4-Carboxypyridin-1-ium 2,4,5-tricarboxybenzoate monohydrate","","- C16 H13 N O11 -","- C16 H13 N O11 -","- C32 H26 N2 O22 -","2","1","HB7093","Arman, Hadi D.; Tiekink, Edward R. T.","4-Carboxypyridin-1-ium 2,4,5-tricarboxybenzoate monohydrate","Acta Crystallographica Section E","2013","69","7","o1122","o1123","10.1107/S1600536813016437","","","0.71073","MoKα","","0.0608","0.0561","","","0.1298","0.1329","","","","","","1.167","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238178","7.3643","0.0003","10.6795","0.0005","13.1038","0.0006","91.822","0.004","101.311","0.004","91.792","0.003","1009.31","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-1-(4-Bromophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","","- C25 H19 Br N2 O2 -","- C25 H19 Br N2 O2 -","- C50 H38 Br2 N4 O4 -","2","1","HB7095","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-1-(4-Bromophenyl)-3-[3-(4-methoxyphenyl)-1-phenyl-1<i>H</i>-pyrazol-4-yl]prop-2-en-1-one","Acta Crystallographica Section E","2013","69","7","o1143","o1144","10.1107/S1600536813016838","","","0.71073","MoKα","","0.0559","0.0431","","","0.1028","0.1107","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238179","7.0399","0.0014","7.1795","0.0014","11.817","0.002","90","","102.72","0.03","90","","582.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-Benzyl-5-ethyl-5-hydroxy-1<i>H</i>-pyrrol-2(5<i>H</i>)-one","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","HB7096","Gao, Yan-Jiao; Wang, Yu-Huang; Ye, Jian-Liang","1-Benzyl-5-ethyl-5-hydroxy-1<i>H</i>-pyrrol-2(5<i>H</i>)-one","Acta Crystallographica Section E","2013","69","7","o1136","","10.1107/S1600536813016887","","","0.71073","MoKα","","0.0519","0.044","","","","0.1451","","","","","","1.126","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238180","12.8221","0.0006","10.7281","0.0004","16.3785","0.0006","90","","90","","90","","2252.97","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Acetyl-2,4-dimethylquinolin-1-ium chloride","","- C13 H14 Cl N O -","- C13 H14 Cl N O -","- C104 H112 Cl8 N8 O8 -","8","1","HB7097","Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.","3-Acetyl-2,4-dimethylquinolin-1-ium chloride","Acta Crystallographica Section E","2013","69","7","o1142","","10.1107/S160053681301684X","","","0.71073","MoKα","","0.043","0.0351","","","0.0911","0.0987","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238181","14.8804","0.001","17.3004","0.0011","12.1888","0.0008","90","","103.929","0.007","90","","3045.6","0.4","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","15,20,46,51,64,69,74,79-Octaoxatridecacyclo[32.28.8.8^3,28^.1^13,53^.1^22,44^.0^9,14^.0^21,26^.0^38,70^.0^40,45^.0^52,57^.0^59,63^.0^7,80^.0^32,73^]octaconta-1(63),3,5,7(80),9(14),10,12,21,23,25,28(73),29,31,34,36,38(70),40,42,44,52,54,56,59,61-tetracosaene benzene monosolvate","","- C78 H78 O8 -","- C78 H78 O8 -","- C156 H156 O16 -","2","0.5","HG5315","Hailu, Shimelis T.; Butcher, Ray J.; Hudrlik, Paul F.; Hudrlik, Anne M.","Calixarene-based molecular capsule from olefin metathesis","Acta Crystallographica Section E","2013","69","7","o1001","o1002","10.1107/S1600536813014438","","","1.54178","CuKα","","0.1252","0.0777","","","0.2183","0.2488","","","","","","0.998","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238182","14.7232","0.0005","16.2151","0.0005","20.9433","0.0008","90","","106.087","0.001","90","","4804.2","0.3","153.15","","153.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{[2,2'-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)}{ acetonitrile hemisolvate","","- C46 H55 N5 O4 Pd2 S6 -","- C46 H55 N5 O4 Pd2 S6 -","- C184 H220 N20 O16 Pd8 S24 -","4","1","HG5318","Dawe, Louise Nicole; Adhikary, Bibhutosh; Collins, Julie L.; Lucas, C. Robert","Bis{[2,2'-(5,8,11-trithia-2,14-diazapentadeca-1,14-diene-1,15-diyl)diphenolato]palladium(II)} acetonitrile monosolvate","Acta Crystallographica Section E","2013","69","7","m360","m361","10.1107/S1600536813014712","","","0.7107","MoKα","","0.0423","0.0412","","","0.1031","0.1043","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238183","8.0446","0.0004","8.9973","0.0005","9.1464","0.0004","117.805","0.006","90.939","0.004","109.64","0.005","539.46","0.06","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","2-Aminopyridin-1-ium triiodide","","- C5 H7 I3 N2 -","- C5 H7 I3 N2 -","- C10 H14 I6 N4 -","2","1","HG5319","Reiss, Guido J.; Leske, Peer B.","2-Aminopyridin-1-ium triiodide","Acta Crystallographica Section E","2013","69","7","o1060","o1061","10.1107/S1600536813015389","","","0.71073","MoKα","","0.0196","0.0182","","","0.0401","0.0407","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238184","4.014","0.004","6.833","0.007","33.85","0.03","90","","90.77","0.02","90","","928.3","1.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-(Prop-2-yn-1-yloxy)phthalonitrile","3-(Prop-2-yn-1-yloxy)benzene-1,2-dicarbonitrile","","- C11 H6 N2 O -","- C11 H6 N2 O -","- C44 H24 N8 O4 -","4","1","HG5321","Jan, Chin Yee; Shamsudin, Norzianah Binti Haji; Tan, Ai Ling; Young, David J.; Tiekink, Edward R. T.","3-(Prop-2-yn-1-yloxy)phthalonitrile","Acta Crystallographica Section E","2013","69","7","o1074","","10.1107/S1600536813015663","","","0.71073","MoKα","","0.1003","0.0858","","","0.2401","0.2502","","","","","","1.132","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238185","6.2198","0.0011","23.234","0.004","11.344","0.002","90","","94.733","0.012","90","","1633.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-Bromo-2-(4-methylphenyl)-1-(methylsulfinyl)naphtho[2,1-<i>b</i>]furan","","- C20 H15 Br O2 S -","- C20 H15 Br O2 S -","- C80 H60 Br4 O8 S4 -","4","1","HG5324","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","7-Bromo-2-(4-methylphenyl)-1-(methylsulfinyl)naphtho[2,1-<i>b</i>]furan","Acta Crystallographica Section E","2013","69","7","o1148","","10.1107/S1600536813016978","","","0.71073","MoKα","","0.0611","0.0429","","","0.1084","0.1167","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238186","13.987","0.0004","15.7103","0.0004","8.5532","0.0003","90","","90","","90","","1879.48","0.1","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","3-({[Bis(2-methylpropyl)carbamothioyl]amino}carbonyl)benzamide","","- C17 H25 N3 O2 S -","- C17 H25 N3 O2 S -","- C68 H100 N12 O8 S4 -","4","1","HG5326","Selvakumaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","3-({[Bis(2-methylpropyl)carbamothioyl]amino}carbonyl)benzamide","Acta Crystallographica Section E","2013","69","7","o1183","","10.1107/S1600536813017455","","","0.71073","MoKα","","0.0439","0.0386","","","0.0934","0.0974","","","","","","0.999","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238187","11.3448","0.0005","18.61","0.0008","19.3282","0.0007","90","","97.297","0.004","90","","4047.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-{[(Dibenzylcarbamothioyl)amino]carbonyl}benzamide","","- C23 H21 N3 O2 S -","- C23 H21 N3 O2 S -","- C184 H168 N24 O16 S8 -","8","2","HG5327","Selvakumaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","3-{[(Dibenzylcarbamothioyl)amino]carbonyl}benzamide","Acta Crystallographica Section E","2013","69","7","o1184","o1185","10.1107/S1600536813017467","","","0.71073","MoKα","","0.089","0.058","","","0.1125","0.1242","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238188","10.2347","0.0012","10.8608","0.0013","13.7452","0.0017","79.053","0.002","78.745","0.001","86.326","0.002","1470.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[[tetraaquatetrakis[μ~3~-5-(pyridine-4-carboxamido)isophthalato]nickel(II)diterbium(III)] tetrahydrate]","","- C56 H48 N8 Ni O28 Tb2 -","- C56 H48 N8 Ni O28 Tb2 -","- C56 H48 N8 Ni O28 Tb2 -","1","0.5","HY2627","Deng, Yi-Fang; Chen, Man-Sheng; Zhang, Chun-Hua; Nie, Xue","Poly[[tetraaquatetrakis[μ~3~-5-(pyridine-4-carboxamido)isophthalato]nickel(II)diterbium(III)] tetrahydrate]","Acta Crystallographica Section E","2013","69","7","m358","m359","10.1107/S1600536813014876","","","0.71073","MoKα","","0.0369","0.0325","","","0.0725","0.0737","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238189","14.66","0.0003","5.4905","0.0002","9.7928","0.0003","90","","90","","90","","788.23","0.04","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>catena</i>-Poly[(diaquacadmium)-μ-iminodiacetato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'']","","- C4 H9 Cd N O6 -","- C4 H9 Cd N O6 -","- C16 H36 Cd4 N4 O24 -","4","1","HY2628","Pan, Gang-Hong; Tang, Jin-Niu; Huang, Zhong-Jing; Liao, Yi-Fan; Mo, Bo-Fa","<i>catena</i>-Poly[(diaquacadmium)-μ-iminodiacetato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>'']","Acta Crystallographica Section E","2013","69","7","m416","","10.1107/S1600536813017121","","","0.71073","MoKα","","0.0514","0.0468","","","0.1605","0.1643","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238190","7.8896","0.0013","10.9493","0.0017","30.683","0.005","90","","90","","90","","2650.6","0.7","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 3-[(chloromethoxy)carbonyloxy]-7-hydroxycholan-24-oate","","- C27 H43 Cl O6 -","- C27 H43 Cl O6 -","- C108 H172 Cl4 O24 -","4","1","IM2434","Zhong, Jia-Liang; Sun, Wen-Xia; Zhang, Fu-Li; Liu, Li-Hong; Liu, He","Methyl 3-[(chloromethoxy)carbonyloxy]-7-hydroxycholan-24-oate","Acta Crystallographica Section E","2013","69","7","o1186","","10.1107/S160053681301725X","","","0.71073","MoKα","","0.1066","0.0504","","","0.0987","0.1181","","","","","","0.942","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238191","16.064","0.0015","7.6562","0.0007","20.1991","0.0019","90","","98.163","0.002","90","","2459.1","0.4","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[5-(4-fluorophenyl)pyridine-3-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl] -1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate","","- C28 H29 F N4 O4 -","- C28 H29 F N4 O4 -","- C112 H116 F4 N16 O16 -","4","1","IS5275","Yeong, Keng Yoon; Ali, Mohamed Ashraf; Choon, Tan Soo; Rosli, Mohd Mustaqim; Razak, Ibrahim Abdul","Ethyl 2-[5-(4-fluorophenyl)pyridin-3-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1<i>H</i>-benzimidazole-5-carboxylate","Acta Crystallographica Section E","2013","69","7","o1013","o1014","10.1107/S1600536813014177","","","0.71073","MoKα","","0.0591","0.0417","","","0.1015","0.1131","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238192","7.0138","0.0005","16.09","0.001","16.49","0.002","90","","90","","90","","1860.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Vincanine ethanol monosolvate","(-)-Norfluorocurarine ethanol monosolvate","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C84 H104 N8 O8 -","4","1","IS5277","Adizov, Shahobiddin M.; Ashurov, Jamshid; Karimov, Zokir; Yuldashev, Pattax Kh.; Tashkhodjaev, Bakhodir","({-})-Norfluorocurarine ethanol monosolvate","Acta Crystallographica Section E","2013","69","7","o1100","","10.1107/S1600536813015365","","","1.54184","CuKα","","0.07","0.0511","","","0.1298","0.1415","","","","","","0.99","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238193","11.916","0.005","10.876","0.005","21.153","0.005","90","","105.797","0.005","90","","2637.9","1.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 11,14,16-triphenyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.0^2,7^.0^13,17^]heptadeca-2(7),3,5,13(17),15-pentaene-10-carboxylate","","- C33 H26 N2 O4 -","- C33 H26 N2 O4 -","- C132 H104 N8 O16 -","4","1","IS5278","Kanchanadevi, J.; Anbalagan, G.; Kannan, D.; Gunasekaran, B.; Manivannan, V.; Bakthadoss, N.","Methyl 11,14,16-triphenyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.0^2,7^.0^13,17^]heptadeca-2(7),3,5,13(17),15-pentaene-10-carboxylate","Acta Crystallographica Section E","2013","69","7","o1035","","10.1107/S1600536813015213","","","0.71073","MoKα","","0.0624","0.0401","","","0.1117","0.1288","","","","","","1.014","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238194","10.047","0.005","19.317","0.005","8.135","0.005","90","","96.667","0.005","90","","1568.1","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-Nitro-2-Ferrocene-2H-Chromene","2-Ferrocenyl-3-nitro-2<i>H</i>-chromene","","- C19 H15 Fe N O3 -","- C19 H15 Fe N O3 -","- C76 H60 Fe4 N4 O12 -","4","1","IS5279","Paramasivam, S.; Naga Siva Rao, Jonnalagadda; Seshadri, P. R.; Raghunathan, Raghavachary","2-Ferrocenyl-3-nitro-2<i>H</i>-chromene","Acta Crystallographica Section E","2013","69","7","m378","","10.1107/S1600536813015730","","","0.71073","MoKα","","0.0346","0.028","","","0.0721","0.0757","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238195","7.3443","0.0004","16.4321","0.0009","10.8235","0.0005","90","","118.25","0.003","90","","1150.62","0.11","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-methylpyridinium 3-hydroxypyridine-2-carboxylate","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C48 H52 N12 O12 -","4","1","IS5281","Farhadikoutenaei, Abbas; Thanigaimani, Kaliyaperumal; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-5-methylpyridinium 3-hydroxypyridine-2-carboxylate","Acta Crystallographica Section E","2013","69","7","o1118","o1119","10.1107/S1600536813016322","","","0.71073","MoKα","","0.0415","0.0363","","","0.1087","0.1148","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238196","15.4435","0.0002","15.4435","0.0002","21.0395","0.0003","90","","90","","90","","5017.96","0.12","100","1","100","1","","","","","","","","4","I 41/a :2","-I 4ad","88","","2-Amino-4-methylpyridinium 3-hydroxybenzoate","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C208 H224 N32 O48 -","16","1","IS5282","Khalib, Nuridayanti Che; Thanigaimani, Kaliyaperumal; Arshad, Suhana; Razak, Ibrahim Abdul","2-Amino-4-methylpyridinium 3-hydroxybenzoate","Acta Crystallographica Section E","2013","69","7","o1120","","10.1107/S1600536813016310","","","0.71073","MoKα","","0.0726","0.0596","","","0.1237","0.1298","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238197","5.2934","0.0004","7.2817","0.0008","9.6196","0.0009","79.673","0.008","89.875","0.007","72.321","0.008","347.01","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>trans</i>-Diaquabis(pyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)cobalt(II) dihydrate","","- C10 H14 Co N4 O8 -","- C10 H14 Co N4 O8 -","- C10 H14 Co N4 O8 -","1","0.5","IS5284","Artetxe, Beñat; Reinoso, Santiago; San Felices, Leire; Martín-Caballero, Jagoba; Gutiérrez-Zorrilla, Juan M.","<i>trans</i>-Diaquabis(pyridazine-3-carboxylato-κ^2^<i>N</i>^2^,<i>O</i>)cobalt(II) dihydrate","Acta Crystallographica Section E","2013","69","7","m420","m421","10.1107/S1600536813017340","","","0.71073","MoKα","","0.0284","0.0264","","","0.0555","0.0575","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238198","12.4181","0.0008","17.0108","0.0011","20.6627","0.0013","102.166","0.004","96.726","0.004","107.496","0.004","3992.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","μ~3~-Acetato-μ~2~-acetato-(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentakis(1-methyl-1<i>H</i>-imidazole)pentamanganese(III)manganese(II)‒diethyl ether‒dimethylformamide‒methanol‒water (1/1/1/1/0.49)","","- C69.61958 H85.3617 Mn6 N16.61958 O23.87106 -","- C69.62 H85.362 Mn6 N16.62 O23.871 -","- C139.24 H170.724 Mn12 N33.24 O47.742 -","2","1","JJ2164","Tigyer, Benjamin R.; Zeller, Matthias; Zaleski, Curtis M.","μ~3~-Acetato-μ~2~-acetato-(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)pentakis(1-methyl-1<i>H</i>-imidazole)pentamanganese(III)manganese(II)‒diethyl ether‒dimethylformamide‒methanol‒water (1/1/1/1/0.49)","Acta Crystallographica Section E","2013","69","7","m393","m394","10.1107/S1600536813015857","","","0.71073","MoKα","","0.138","0.0868","","","0.194","0.2319","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2238199","18.052","0.002","19.846","0.002","5.0388","0.0006","90","","90","","90","","1805.2","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","{2,2'-[(1,2-Dicyanoethene-1,2-diyl)bis(nitrilomethanylylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(methanol-κ<i>O</i>)zinc","","- C19 H14 N4 O3 Zn -","- C19 H14 N4 O3 Zn -","- C76 H56 N16 O12 Zn4 -","4","0.5","JJ2167","Wang, Zhi-Chun; Chu, Jing; Zhan, Shu-Zhong","{2,2'-[(1,2-Dicyanoethene-1,2-diyl)bis(nitrilomethanylylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}(methanol-κ<i>O</i>)zinc","Acta Crystallographica Section E","2013","69","7","m419","","10.1107/S1600536813016863","","","0.71073","MoKα","","0.0664","0.0362","","","0.0901","0.1039","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238200","8.63","0.006","14.495","0.004","17.072","0.003","90","","114.93","0.04","90","","1936.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[1-(2,3-dimethylphenyl)piperazine-1,4-diium] bis(oxonium) cyclohexaphosphate dihydrate","","- C24 H50 N4 O22 P6 -","- C24 H50 N4 O22 P6 -","- C48 H100 N8 O44 P12 -","2","0.5","JJ2168","Ameur, Iness; Abid, Sonia; Al-Deyab, Salem S; Rzaigui, Mohamed","Bis[1-(2,3-dimethylphenyl)piperazine-1,4-diium] bis(oxonium) cyclohexaphosphate dihydrate","Acta Crystallographica Section E","2013","69","7","o1145","o1146","10.1107/S1600536813016759","","","0.56085","AgKα","","0.1224","0.0549","","","0.126","0.1516","","","","","","0.993","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238201","3.7456","0.0002","14.9193","0.0009","21.6077","0.0017","90","","92.273","0.007","90","","1206.53","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methyl-5-(4-nitrobenzylidene)-2-oxo-2,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","","- C13 H9 N3 O3 -","- C13 H9 N3 O3 -","- C52 H36 N12 O12 -","4","1","JJ2169","Gainsford, Graeme J.; Bhuiyan, M. Delower. H.; Kay, Andrew J.","4-Methyl-5-(4-nitrobenzylidene)-2-oxo-2,5-dihydro-1<i>H</i>-pyrrole-3-carbonitrile","Acta Crystallographica Section E","2013","69","7","o1158","","10.1107/S1600536813017066","","","1.54184","CuKα","","0.0608","0.048","","","0.131","0.139","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238202","6.4838","0.0007","6.4978","0.0008","15.3633","0.0015","90","","102.168","0.011","90","","632.72","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(ethyleneglycolato-O,O')tellurium(IV)","Bis(ethyleneglycolato-κ^2^<i>O</i>,<i>O</i>')tellurium(IV)","","- C4 H8 O4 Te -","- C4 H8 O4 Te -","- C16 H32 O16 Te4 -","4","1","KJ2224","Brooks, Neil R.; Wu, Minxian; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","Bis(ethyleneglycolato-κ^2^<i>O</i>,<i>O</i>')tellurium(IV)","Acta Crystallographica Section E","2013","69","7","o1080","","10.1107/S1600536813015687","","","0.71073","MoKα","","0.0395","0.0336","","","0.0736","0.0787","","","","","","1.052","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238203","11.634","0.002","11.634","0.002","84.945","0.015","90","","90","","120","","9957","3","93","2","93","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)sodium iodide‒1,1,2,2,tetrafluoro-1,2-diiodoethane (2/3)","","- C21 H36 F6 I4 N2 Na O6 -","- C21 H36 F6 I4 N2 Na O6 -","- C252 H432 F72 I48 N24 Na12 O72 -","12","0.333333","KJ2225","Cavallo, Gabriella; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Ursini, Maurizio; Terraneo, Giancarlo","(4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane)sodium iodide‒1,1,2,2,tetrafluoro-1,2-diiodoethane (2/3)","Acta Crystallographica Section E","2013","69","7","m387","m388","10.1107/S1600536813016085","","","0.71073","MoKα","","0.0377","0.0316","","","0.0744","0.0764","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2238204","20.0988","0.0016","4.2645","0.0003","28.669","0.002","90","","90","","90","","2457.3","0.3","150","1","150","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","5-Nitro-1,3-bis(prop-2-ynyl)-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one","","- C13 H9 N3 O3 -","- C13 H9 N3 O3 -","- C104 H72 N24 O24 -","8","2","KJ2228","Kandri Rodi, Youssef; Misbahi, Khalid; El-Ghayoury, Abdelkrim; Zorina, Leokadiya; Essassi, El Mokhtar; El Ammari, Lahcen","5-Nitro-1,3-bis(prop-2-ynyl)-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","7","o1159","","10.1107/S1600536813016814","","","0.71073","MoKα","","0.0513","0.0468","","","0.1212","0.1262","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238205","7.1508","0.001","12.307","0.0018","21.431","0.003","90","","90","","90","","1886","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Methyl-1,2,4-triazolo[4,3-<i>a</i>]pyridin-2-ium tetrafluoroborate","","- C7 H8 B F4 N3 -","- C7 H8 B F4 N3 -","- C56 H64 B8 F32 N24 -","8","1","KQ2005","Wei, Siping; Wang, Li; Wang, Qin","2-Methyl-1,2,4-triazolo[4,3-<i>a</i>]pyridin-2-ium tetrafluoroborate","Acta Crystallographica Section E","2013","69","7","o1051","","10.1107/S1600536813015535","","","0.71073","MoKα","","0.0844","0.0772","","","0.2331","0.2449","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238206","8.0285","0.0004","10.846","0.0005","18.2337","0.0009","90","","94.067","0.002","90","","1583.74","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-4-(4-Chlorophenyl)-2-methylamino-3-nitro-5,6,7,8-tetrahydro-4<i>H</i>-chromen-5-one","","- C16 H15 Cl N2 O4 -","- C16 H15 Cl N2 O4 -","- C64 H60 Cl4 N8 O16 -","4","1","LD2104","Narayanan, P.; Kamalraja, Jayabal; Perumal, Paramasivam T.; Sethusankar, K.","<i>rac</i>-4-(4-Chlorophenyl)-2-methylamino-3-nitro-5,6,7,8-tetrahydro-4<i>H</i>-chromen-5-one","Acta Crystallographica Section E","2013","69","7","o1053","o1054","10.1107/S1600536813014530","","","0.71073","MoKα","","0.0586","0.0424","","","0.1054","0.1189","","","","","","1.085","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238207","11.4138","0.0009","6.1241","0.0005","15.5812","0.0013","90","","104.561","0.009","90","","1054.13","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(4-Nitrobenzyl)pyridine","","- C12 H10 N2 O2 -","- C12 H10 N2 O2 -","- C48 H40 N8 O8 -","4","1","LD2106","Taher, Deeb; Awwadi, Firas F.; Kailani, Mohammed H.","4-(4-Nitrobenzyl)pyridine","Acta Crystallographica Section E","2013","69","7","o1164","","10.1107/S1600536813017145","","","0.71073","MoKα","","0.0727","0.0467","","","0.0947","0.1062","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238208","8.875","0.0001","14.286","0.0002","16.65","0.0002","94.376","0.001","100.717","0.001","92.167","0.001","2065.24","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1<i>H</i>-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1<i>H</i>-1,2,4-triazol-4-ium} hexachloridobismuthate(III) nitrate dihydrate","","- C20 H40 Bi Cl6 N17 O5 S4 -","- C20 H40 Bi Cl6 N17 O5 S4 -","- C40 H80 Bi2 Cl12 N34 O10 S8 -","2","1","LH5614","Hossain, G. M. Golzar","Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1<i>H</i>-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1<i>H</i>-1,2,4-triazol-4-ium} hexachloridobismuthate(III) nitrate dihydrate","Acta Crystallographica Section E","2013","69","7","m402","m403","10.1107/S1600536813016449","","","0.71073","MoKα","","0.0465","0.0403","","","0.0988","0.1022","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238209","22.6192","0.0003","5.5649","0.0001","19.0631","0.0003","90","","104.696","0.002","90","","2321.04","0.07","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","1-<i>O</i>-Benzyl-2,3-<i>O</i>-isopropylidene-6-<i>O</i>-tosyl-α-L-sorbofuranose","{(3a<i>S</i>,5<i>S</i>,6<i>R</i>,6a<i>S</i>)-3a-[(Benzyloxy)methyl]-6-hydroxy-2,2-dimethyltetrahydrofuro[2,3-<i>d</i>][1,3]dioxol-5-yl}methyl 4-methylbenzenesulfonate","","- C23 H28 O8 S -","- C23 H28 O8 S -","- C92 H112 O32 S4 -","4","1","LH5615","Reed, John H.; Turner, Peter; Kato, Atsushi; Houston, Todd A.; Simone, Michela I.","1-<i>O</i>-Benzyl-2,3-<i>O</i>-isopropylidene-6-<i>O</i>-tosyl-α-<small>L</small>-sorbofuranose","Acta Crystallographica Section E","2013","69","7","o1069","o1070","10.1107/S1600536813015638","","","1.5418","CuKα","","0.0447","0.0437","","","0.1248","0.1268","","","","","","1.16","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238210","10.0608","0.0002","17.9092","0.0005","10.8495","0.0003","90","","90","","90","","1954.87","0.09","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","<i>N</i>-[(3-Ethylphenyl)carbamothioyl]-2,2-diphenylacetamide","","- C23 H22 N2 O S -","- C23 H22 N2 O S -","- C92 H88 N8 O4 S4 -","4","1","LH5616","Yusof, Mohd Sukeri Mohd; Razali, Nur Rafikah; Arshad, Suhana; Rahman, Azhar Abdul; Razak, Ibrahim Abdul","<i>N</i>-[(3-Ethylphenyl)carbamothioyl]-2,2-diphenylacetamide","Acta Crystallographica Section E","2013","69","7","o1016","o1017","10.1107/S1600536813014268","","","0.71073","MoKα","","0.0957","0.0568","","","0.0863","0.0979","","","","","","0.989","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238211","11.1522","0.0011","9.0268","0.0008","14.3025","0.0014","90","","94.009","0.005","90","","1436.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Poly[[pentaaquabis(μ~3~-hydrogen squarato)barium] monohydrate]","","- C8 H14 Ba O14 -","- C8 H14 Ba O14 -","- C32 H56 Ba4 O56 -","4","1","LH5617","Trifa, Chahrazed; Bouhali, Amira; Bouacida, Sofiane; Boudaren, Chaouki; Merazig, Hocine","Poly[[pentaaquabis(μ~3~-hydrogen squarato)barium] monohydrate]","Acta Crystallographica Section E","2013","69","7","m366","m367","10.1107/S1600536813014736","","","0.71073","MoKα","","0.0132","0.0125","","","0.0329","0.0335","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238212","9.051","0.005","13.142","0.007","15.321","0.008","69.803","0.005","84.566","0.005","76.909","0.006","1665.6","1.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'-Hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)zincate","","- C22 H38 N2 O6 S10 Zn -","- C22 H38 N2 O6 S10 Zn -","- C44 H76 N4 O12 S20 Zn2 -","2","1","LH5618","Zhang, Xiulan; Xie, Bin; Zou, Like; Wang, Jun; Lin, Xiao","<i>N</i>,<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>'-Hexakis(2-hydroxyethyl)butane-1,4-diaminium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)zincate","Acta Crystallographica Section E","2013","69","7","m368","m369","10.1107/S1600536813014992","","","0.71073","MoKα","","0.0427","0.0348","","","0.0933","0.0981","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238213","9.9645","0.0013","10.6001","0.0018","12.623","0.002","79.585","0.014","84.896","0.012","82.047","0.012","1295.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis[chloridobis(1,10-phenanthroline)copper(II)] pentacyanidonitrosoferrate(II) dimethylformamide monosolvate","","- C56 H39 Cl2 Cu2 Fe N15 O2 -","- C56 H39 Cl2 Cu2 Fe N15 O2 -","- C56 H39 Cl2 Cu2 Fe N15 O2 -","1","0.5","LH5620","Rusanova, Julia A.; Kozachuk, Olesia V.; Dyakonenko, Viktoriya V.","Bis[chloridobis(1,10-phenanthroline)copper(II)] pentacyanidonitrosoferrate(II) dimethylformamide monosolvate","Acta Crystallographica Section E","2013","69","7","m391","m392","10.1107/S1600536813015547","","","0.71073","MoKα","","0.1078","0.0612","","","0.1563","0.1818","","","","","","0.991","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238214","4.9146","0.0003","26.5065","0.0018","14.09","0.0009","90","","94.645","0.004","90","","1829.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 3-[(6-nitro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]propanoate","","- C18 H15 N3 O5 S -","- C18 H15 N3 O5 S -","- C72 H60 N12 O20 S4 -","4","1","LH5622","Al-Suwaidan, Ibrahim A.; Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Chidan Kumar, C. S.; Fun, Hoong-Kun","Methyl 3-[(6-nitro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]propanoate","Acta Crystallographica Section E","2013","69","7","o1111","","10.1107/S1600536813016127","","","1.54178","CuKα","","0.1142","0.0638","","","0.1608","0.191","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238215","27.9412","0.0009","8.8675","0.0003","19.6581","0.0006","90","","112.5","0.001","90","","4499.9","0.3","100","","100.04","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","3-(4-Bromophenyl)-1-butyl-5-[1-(2-chloro-6-methylphenyl)-1<i>H</i>-tetrazol-5-yl]imidazolidine-2,4-dione","","- C21 H20 Br Cl N6 O2 -","- C21 H20 Br Cl N6 O2 -","- C168 H160 Br8 Cl8 N48 O16 -","8","1","LH5623","Hall, Gabriel B.; Medda, Federico; Roberts, Sue A.; Hulme, Christopher","3-(4-Bromophenyl)-1-butyl-5-[1-(2-chloro-6-methylphenyl)-1<i>H</i>-tetrazol-5-yl]imidazolidine-2,4-dione","Acta Crystallographica Section E","2013","69","7","o1102","o1103","10.1107/S1600536813016000","","","0.71073","MoKα","","0.0549","0.0368","","","0.0899","0.1","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238216","28.9562","0.0006","13.261","0.0003","7.5284","0.0002","90","","90","","90","","2890.82","0.12","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","(2<i>Z</i>)-3-(2,4-Dichlorophenyl)-3-hydroxy-<i>N</i>-phenylprop-2-enethioamide","","- C15 H11 Cl2 N O S -","- C15 H11 Cl2 N O S -","- C120 H88 Cl16 N8 O8 S8 -","8","1","LH5625","Kour, Dalbir; Singh, Kuldeep; Aitawade, Mayur M.; Deshmukh, Madhukar B.; Anbhule, Prashant V.; Gupta, Vivek K.; Kant, Rajni","(2<i>Z</i>)-3-(2,4-Dichlorophenyl)-3-hydroxy-<i>N</i>-phenylprop-2-enethioamide","Acta Crystallographica Section E","2013","69","7","o1173","o1174","10.1107/S1600536813017339","","","0.71073","MoKα","","0.0595","0.0444","","","0.0854","0.0913","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238217","7.457","0.0005","8.35","0.0005","25.368","0.0014","90","","97.626","0.003","90","","1565.59","0.17","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-{5-[(2-Bromobenzyl)sulfanyl]-1<i>H</i>-tetrazol-1-yl}benzoic acid","","- C15 H11 Br N4 O2 S -","- C15 H11 Br N4 O2 S -","- C60 H44 Br4 N16 O8 S4 -","4","1","LR2105","Mafud, Ana C.; Mascarenhas, Yvonne P.; Nascimento, Alessandro S.","4-{5-[(2-Bromobenzyl)sulfanyl]-1<i>H</i>-tetrazol-1-yl}benzoic acid","Acta Crystallographica Section E","2013","69","7","o1083","o1084","10.1107/S1600536813014840","","","0.71073","MoKα","","0.0517","0.0411","","","0.1076","0.1141","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238218","5.1829","0.0006","26.328","0.004","10.2279","0.0013","90","","97.892","0.007","90","","1382.4","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[bis(μ~3~-2-phenylacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)bis(μ~2~-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]","","- C32 H28 Cu2 O8 -","- C32 H28 Cu2 O8 -","- C64 H56 Cu4 O16 -","2","0.5","LR2106","Benslimane, Meriem; Redjel, Yasmine Kheira; Merazig, Hocine; Daran, Jean-Claude","<i>catena</i>-Poly[bis(μ~3~-2-phenylacetato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>)bis(μ~2~-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>')dicopper(II)(<i>Cu</i>—<i>Cu</i>)]","Acta Crystallographica Section E","2013","69","7","m397","","10.1107/S160053681301581X","","","0.71073","MoKα","","0.0929","0.0818","","","0.2497","0.2543","","","","","","1.198","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238219","10.59","0.002","7.697","0.0015","23.75","0.005","90","","94.7","0.03","90","","1929.4","0.7","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-(1,4,8,11-Tetraazacyclotetradecane-κ<i>N</i>^4^)bis(thiocyanato-κ<i>N</i>)chromium(III) thiocyanate","","- C13 H24 Cr N7 S3 -","- C13 H24 Cr N7 S3 -","- C52 H96 Cr4 N28 S12 -","4","1","LR2107","Moon, Dohyun; Choi, Jong-Ha; Ryoo, Keon Sang; Hong, Yong Pyo","<i>cis</i>-(1,4,8,11-Tetraazacyclotetradecane-κ<i>N</i>^4^)bis(thiocyanato-κ<i>N</i>)chromium(III) thiocyanate","Acta Crystallographica Section E","2013","69","7","m376","m377","10.1107/S1600536813015456","","","0.74","synchrotron","","0.0376","0.0303","","","0.0814","0.0845","","","","","","1.068","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238220","13.6452","0.0004","7.47005","0.00019","18.7286","0.0006","90","","105.772","0.003","90","","1837.14","0.1","292","2","292","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-chlorophenyl}(4-chlorophenyl)methanone","","- C21 H13 Cl2 N O2 S -","- C21 H13 Cl2 N O2 S -","- C84 H52 Cl8 N4 O8 S4 -","4","1","LX2286","Venugopala, K. N.; Nayak, Susanta K.; Odhav, B.","{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-chlorophenyl}(4-chlorophenyl)methanone","Acta Crystallographica Section E","2013","69","7","o1124","","10.1107/S1600536813016243","","","0.7107","MoKα","","0.0717","0.0427","","","0.0946","0.1085","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238221","8.5174","0.0005","12.3094","0.0007","15.2597","0.0009","90","","90","","90","","1599.89","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","m-Xylylene dichloride","1,3-Bis(chloromethyl)benzene","","- C8 H8 Cl2 -","- C8 H8 Cl2 -","- C64 H64 Cl16 -","8","1","MW2106","Sanders, Marisa B.; Leon, David; Ndichie, Eddy I.; Chan, Benny C.","1,3-Bis(chloromethyl)benzene","Acta Crystallographica Section E","2013","69","7","o1150","","10.1107/S1600536813016383","","","0.71073","MoKα","","0.0265","0.0232","","","0.0623","0.0644","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238222","18.4237","0.0004","15.7594","0.0006","20.9299","0.0007","90","","113.28","0.002","90","","5582.2","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4-(5-{2-[5-(4-Cyanophenyl)-3-methylthiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl}-4-methylthiophen-2-yl)benzonitrile chloroform hemisolvate","","- C29.5 H16.5 Cl1.5 F6 N2 S2 -","- C29.5 H16.5 Cl1.5 F6 N2 S2 -","- C236 H132 Cl12 F48 N16 S16 -","8","1","MW2111","El-Hiti, Gamal A.; Smith, Keith; Masmali, Ali; Balakit, Asim A.; Kariuki, Benson M.","4-(5-{2-[5-(4-Cyanophenyl)-3-methylthiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl}-4-methylthiophen-2-yl)benzonitrile chloroform hemisolvate","Acta Crystallographica Section E","2013","69","7","o1041","","10.1107/S1600536813014852","","","0.71073","MoKα","","0.1083","0.0687","","","0.1509","0.1744","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2238223","11.9292","0.0003","15.2505","0.0005","18.1222","0.0005","90","","90","","90","","3296.9","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Theobrominium perchlorate dibenzo-18-crown-6 3.25-hydrate","3,7-Dimethyl-2,6-dioxo-1<i>H</i>-purin-9-ium perchlorate dibenzo-18-crown-6 3.25-hydrate","","- C27 H40 Cl N4 O15.25 -","- C27 H39.5 Cl N4 O15.25 -","- C108 H158 Cl4 N16 O61 -","4","1","NC2312","Kulikov, Vladislav; Meyer, Gerd","Theobrominium perchlorate dibenzo-18-crown-6 3.25-hydrate","Acta Crystallographica Section E","2013","69","7","o1027","","10.1107/S1600536813014463","","","0.71073","MoKα","","0.0658","0.0491","","","0.1387","0.1563","","","","","","1.042","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2238224","7.8516","0.0006","8.8285","0.0006","12.1356","0.0008","87.285","0.006","82.516","0.006","65.396","0.005","758.3","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-bromido-bis[(diethyl ether-κ<i>O</i>)(2,4,6-trimethylphenyl)magnesium]","","- C26 H42 Br2 Mg2 O2 -","- C26 H42 Br2 Mg2 O2 -","- C26 H42 Br2 Mg2 O2 -","1","0.5","NG5334","Seven, Ömer; Bolte, Michael; Lerner, Hans-Wolfram","Di-μ-bromido-bis[(diethyl ether-κ<i>O</i>)(2,4,6-trimethylphenyl)magnesium]: the mesityl Grignard reagent","Acta Crystallographica Section E","2013","69","7","m424","","10.1107/S1600536813017108","","","0.71073","MoKα","","0.0409","0.0356","","","0.0928","0.0957","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238225","7.5154","0.0003","9.1393","0.0004","11.6498","0.0005","69.612","0.003","80.5","0.005","72.482","0.004","713.64","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Benzamidinium 2-methoxybenzoate","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C30 H32 N4 O6 -","2","1","NK2209","Portalone, Gustavo","Benzamidinium 2-methoxybenzoate","Acta Crystallographica Section E","2013","69","7","o1114","o1115","10.1107/S1600536813016395","","","0.71069","MoKα","","0.0892","0.0616","","","0.1482","0.1613","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238226","7.3725","0.0002","10.0967","0.0003","20.8173","0.0007","98.086","0.001","99.547","0.002","106.547","0.001","1435.62","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","","- C16 H13 Cl O3 S -","- C16 H13 Cl O3 S -","- C64 H52 Cl4 O12 S4 -","4","2","PK2485","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Chloro-2-methyl-3-(4-methylphenylsulfonyl)-1-benzofuran","Acta Crystallographica Section E","2013","69","7","o1050","","10.1107/S1600536813015468","","","0.71073","MoKα","","0.0446","0.036","","","0.0926","0.0979","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238227","3.8466","0.0003","7.4052","0.0007","30.577","0.003","90","","90","","90","","870.98","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-Formyltetrathiafulvalene","2-(1,3-Dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde","","- C7 H4 O S4 -","- C7 H4 O S4 -","- C28 H16 O4 S16 -","4","1","PK2488","Zeller, Matthias; Azov, Vladimir A.","2-(1,3-Dithiol-2-ylidene)-1,3-dithiole-4-carbaldehyde","Acta Crystallographica Section E","2013","69","7","o1157","","10.1107/S160053681301711X","","","0.71073","MoKα","","0.0245","0.0237","","","0.0565","0.0573","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238228","7.043","0.0014","7.58","0.0015","29.114","0.006","90","","95.33","0.03","90","","1547.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methoxy]quinoline monohydrate","","- C18 H15 N3 O3 -","- C18 H15 N3 O3 -","- C72 H60 N12 O12 -","4","1","PV2633","Bai, Shu-Yuan; Shen, Hong; Han, Xin-Yi; Lv, Ling-Jie; Wang, Hai-Bo","8-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methoxy]quinoline monohydrate","Acta Crystallographica Section E","2013","69","7","o1034","","10.1107/S1600536813014529","","","0.71073","MoKα","","0.1069","0.0521","","","0.1219","0.1438","","","","","","0.954","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238229","6.972","0.0014","9.929","0.002","15.084","0.003","90","","100.25","0.03","90","","1027.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(1-Methyl-2-oxoindolin-3-ylidene)malononitrile","","- C12 H7 N3 O -","- C12 H7 N3 O -","- C48 H28 N12 O4 -","4","1","PV2634","Wang, De-Cai; Tang, Wei; Su, Peng; Ou-Yang, Ping-Kai","2-(1-Methyl-2-oxoindolin-3-ylidene)malononitrile","Acta Crystallographica Section E","2013","69","7","o1095","","10.1107/S1600536813016012","","","0.71073","MoKα","","0.0889","0.057","","","0.1517","0.1758","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238230","9.344","0.0019","11.352","0.002","25.719","0.005","90","","90","","90","","2728.1","0.9","291","2","291","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-Methyl-2-(3,3,3-trichloro-2-hydroxypropyl)quinazolin-4(3<i>H</i>)-one","","- C12 H11 Cl3 N2 O2 -","- C12 H11 Cl3 N2 O2 -","- C96 H88 Cl24 N16 O16 -","8","1","PV2636","Utayeva, Fotima Rabbimovna; Okmanov, Rasul Yangiberdievich; Mukarramov, Nuridin Isomidinovich; Shakhidoyatov, Khusnutdin Muhitovich; Tashkhodjaev, Bakhodir","3-Methyl-2-(3,3,3-trichloro-2-hydroxypropyl)quinazolin-4(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","7","o1094","","10.1107/S1600536813016073","","","1.54184","CuKα","","0.0504","0.0402","","","0.1112","0.1162","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238231","7.0659","0.0003","7.8206","0.0003","10.4595","0.0003","79.667","0.002","80.471","0.002","81.579","0.002","556.69","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","3,7-Dimethyl-3-oxohexahydro-4,7-methano-2-benzofuran-4(1<i>H</i>)-carboxamide","2,6-Dimethyl-4-oxo-3-oxatricyclo[5.2.1.0^2,6^]decane-1-carboxamide","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C24 H34 N2 O6 -","2","1","QM2095","Grytsai, Oleksandr; Gorichko, Marian","2,6-Dimethyl-4-oxo-3-oxatricyclo[5.2.1.0^2,6^]decane-1-carboxamide","Acta Crystallographica Section E","2013","69","7","o1168","","10.1107/S1600536813017248","","","0.71073","MoKα","","0.0652","0.044","","","0.1223","0.1412","","","","","","0.918","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238232","23.673","0.005","8.3124","0.0017","25.546","0.005","90","","113.25","0.03","90","","4618.7","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(μ-6-methoxy-2-{[(3-oxidopropyl)imino]methyl}phenolato)nickel(II) methanol monosolvate","","- C23 H30 N2 Ni2 O7 -","- C23 H30 N2 Ni2 O7 -","- C184 H240 N16 Ni16 O56 -","8","1","QM2096","Meng, Fan-Kun; Zhang, Xin; Yi, Hua; Zhang, De-Hui; Jia, Jun-Ying","Bis(μ-6-methoxy-2-{[(3-oxidopropyl)imino]methyl}phenolato)nickel(II) methanol monosolvate","Acta Crystallographica Section E","2013","69","7","m425","","10.1107/S1600536813017224","","","0.71073","MoKα","","0.0596","0.0467","","","0.0762","0.0799","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238233","7.953","0.006","8.548","0.006","10.951","0.008","96.602","0.008","92.282","0.008","100.279","0.007","726.3","0.9","295","2","295","2","","","","","","","","3","P -1","-P 1","2","5,6-Dihydroxy-7,8-dimethoxyflavone","5,6-dihydroxy-7,8-dimethoxy-2-phenylchromen-4-one","","- C17 H14 O6 -","- C17 H14 O6 -","- C34 H28 O12 -","2","1","RK2401","Jing, Lin-Lin; Fan, Xiao-Fei; Fan, Peng-Cheng; He, Lei; Jia, Zheng-Ping","5,6-Dihydroxy-7,8-dimethoxyflavone","Acta Crystallographica Section E","2013","69","7","o1096","","10.1107/S1600536813014451","","","0.71073","MoKα","","0.1273","0.0697","","","0.1934","0.2358","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238234","12.1713","0.0006","13.6144","0.0007","10.9602","0.0006","90","","114.813","0.002","90","","1648.5","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 4-anilino-2',5-dioxo-1',2'-dihydro-5<i>H</i>-spiro[furan-2,3'-indole]-3-carboxylate","","- C19 H14 N2 O5 -","- C19 H14 N2 O5 -","- C76 H56 N8 O20 -","4","1","RK2403","Gangadharan, Rajeswari; Sethusankar, K.; Kiruthika, Selvarangam E.; Perumal, P. T.","Methyl 4-anilino-2',5-dioxo-1',2'-dihydro-5<i>H</i>-spiro[furan-2,3'-indole]-3-carboxylate","Acta Crystallographica Section E","2013","69","7","o1055","","10.1107/S1600536813014967","","","0.71073","MoKα","","0.0717","0.0441","","","0.1151","0.1324","","","","","","0.999","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238235","9.6614","0.0002","12.5429","0.0003","12.8728","0.0003","61.598","0.002","87.386","0.003","77.115","0.003","1334.3","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(3-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')bis(nicotinamide-κ<i>N</i>)copper(II)","","- C26 H20 Cl2 Cu N4 O6 -","- C26 H20 Cl2 Cu N4 O6 -","- C52 H40 Cl4 Cu2 N8 O12 -","2","1","RK2404","Bozkurt, Nihat; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Bis(3-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')bis(nicotinamide-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2013","69","7","m356","m357","10.1107/S1600536813014694","","","0.71073","MoKα","","0.0332","0.0299","","","0.0806","0.0831","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238236","11.6594","0.0004","19.3088","0.0006","15.8522","0.0005","90","","108.887","0.001","90","","3376.64","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1<i>R</i>*,21<i>S</i>*,22<i>R</i>*,24<i>S</i>*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate","","- C40 H41 N O8 -","- C40 H41 N O8 -","- C160 H164 N4 O32 -","4","1","RK2405","Hieu, Truong Hong; Anh, Le Tuan; Soldatenkov, Anatoly T.; Gorchakova, Olga S.; Khrustalev, Victor N.","(1<i>R</i>*,21<i>S</i>*,22<i>R</i>*,24<i>S</i>*)-Methyl ethyl 2-[23-hydroxy-22,24-diphenyl-8,11,14-trioxa-25-azatetracyclo[19.3.1.0^2,7^.0^15,20^]pentacosa-2,4,6,15(20),16,18-hexaen-25-yl]but-2-enedioate","Acta Crystallographica Section E","2013","69","7","o1023","o1024","10.1107/S1600536813014748","","","0.71073","MoKα","","0.0779","0.0482","","","0.1238","0.1355","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238237","31.603","0.005","6.1828","0.001","14.89","0.002","90","","102.594","0.015","90","","2839.4","0.8","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2,4-Dibromo-6-{[(5-chloro-2-methylphenyl)imino]methyl}phenol","","- C14 H10 Br2 Cl N O -","- C14 H10 Br2 Cl N O -","- C112 H80 Br16 Cl8 N8 O8 -","8","1","RK2407","Zheng, Yunfa","2,4-Dibromo-6-{[(5-chloro-2-methylphenyl)imino]methyl}phenol","Acta Crystallographica Section E","2013","69","7","o1190","","10.1107/S1600536813017558","","","0.71073","MoKα","","0.0653","0.0383","","","0.0727","0.0819","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238238","13.4418","0.0002","8.3088","0.0001","15.1538","0.0002","90","","110.61","0.02","90","","1584.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Bromido(methylamine)bis(propane-1,3-diamine)cobalt(III) dibromide","","- C7 H25 Br3 Co N5 -","- C7 H25 Br3 Co N5 -","- C28 H100 Br12 Co4 N20 -","4","1","RN2115","Kannan, P. S.; Ganeshraja, A. S.; Anbalagan, K.; Govindan, E.; SubbiahPandi, A.","<i>cis</i>-Bromido(methylamine)bis(propane-1,3-diamine)cobalt(III) dibromide","Acta Crystallographica Section E","2013","69","7","m374","m375","10.1107/S160053681301516X","","","0.71073","MoKα","","0.1178","0.0726","","","0.2171","0.2377","","","","","","1.068","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238239","6.6634","0.0002","8.5514","0.0003","11.8716","0.0005","90","","105.067","0.003","90","","653.21","0.04","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Cythioate","<i>O</i>,<i>O</i>-Dimethyl <i>O</i>-(4-sulfamoylphenyl) phosphorothioate","","- C8 H12 N O5 P S2 -","- C8 H12 N O5 P S2 -","- C16 H24 N2 O10 P2 S4 -","2","0.5","RZ5064","Zhao, Puhan; Baughman, Russell G.","<i>O</i>,<i>O</i>-Dimethyl <i>O</i>-(4-sulfamoylphenyl) phosphorothioate (cythioate)","Acta Crystallographica Section E","2013","69","7","o1042","","10.1107/S1600536813014724","","","0.71073","MoKα","","0.0478","0.0414","","","0.109","0.1121","","","","","","1.207","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238240","24.9335","0.0004","5.0278","0.0001","18.6813","0.0003","90","","111.151","0.001","90","","2184.13","0.07","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(<i>E</i>)-1-(2-Aminophenyl)-3-(thiophen-2-yl)prop-2-en-1-one","(<i>E</i>)-1-(2-Aminophenyl)-3-(thiophen-2-yl)prop-2-en-1-one","","- C13 H11 N O S -","- C13 H11 N O S -","- C104 H88 N8 O8 S8 -","8","1","RZ5065","Chantrapromma, Suchada; Ruanwas, Pumsak; Boonnak, Nawong; Fun, Hoong-Kun","(<i>E</i>)-1-(2-Aminophenyl)-3-(thiophen-2-yl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","7","o1004","o1005","10.1107/S1600536813014189","","","0.71073","MoKα","","0.0905","0.0512","","","0.1087","0.1265","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238241","12.288","0.003","13.349","0.003","14.244","0.003","90","","113.39","0.03","90","","2144.5","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[bis{μ-<i>N</i>'-[(pyridin-4-yl)methylidene]benzohydrazidato}copper(II)]","","- C26 H20 Cu N6 O2 -","- C26 H20 Cu N6 O2 -","- C104 H80 Cu4 N24 O8 -","4","0.5","RZ5068","Wu, Qiong; Chen, Da-Chi; Wu, Chu-Yi; Yan, Chang-Xiu; Liao, Jian-Zhen","Poly[bis{μ-<i>N</i>'-[(pyridin-4-yl)methylidene]benzohydrazidato}copper(II)]","Acta Crystallographica Section E","2013","69","7","m383","","10.1107/S1600536813015882","","","0.71073","MoKα","","0.0433","0.0327","","","0.0758","0.0799","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238242","15.265","0.001","11.4817","0.0008","6.7552","0.0005","90","","101.617","0.007","90","","1159.72","0.14","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Potassium <i>N</i>-bromo-4-chloro-2-methylbenzenesulfonamidate monohydrate","","- C7 H8 Br Cl K N O3 S -","- C7 H8 Br Cl K N O3 S -","- C28 H32 Br4 Cl4 K4 N4 O12 S4 -","4","1","RZ5069","Spandana, H. S.; Foro, Sabine; Gowda, B. Thimme","Potassium <i>N</i>-bromo-4-chloro-2-methylbenzenesulfonamidate monohydrate","Acta Crystallographica Section E","2013","69","7","m370","","10.1107/S1600536813014979","","","0.71073","MoKα","","0.0527","0.0429","","","0.1231","0.1289","","","","","","1.099","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238243","8.8056","0.0013","15.648","0.003","12.139","0.0016","90","","91.769","0.01","90","","1671.8","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>S</i>,2<i>R</i>,7<i>R</i>,8<i>S</i>,10<i>R</i>)-9,9-Dibromo-2,6,6,10-tetramethyl-1α,2α-epoxytricyclo[5.5.0.0^8,10^]dodecane","","- C16 H24 Br2 O -","- C16 H24 Br2 O -","- C64 H96 Br8 O4 -","4","2","RZ5070","Benharref, Ahmed; El Karroumi, Jamal; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(1<i>S</i>,2<i>R</i>,7<i>R</i>,8<i>S</i>,10<i>R</i>)-9,9-Dibromo-2,6,6,10-tetramethyl-1α,2α-epoxytricyclo[5.5.0.0^8,10^]dodecane","Acta Crystallographica Section E","2013","69","7","o1037","o1038","10.1107/S160053681301502X","","","0.71073","MoKα","","0.0579","0.0454","","","0.1047","0.1079","","","","","","0.958","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238244","7.9443","0.0006","9.5038","0.0007","11.8706","0.0009","66.759","0.002","89.754","0.002","66.785","0.002","744.6","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-acetyl-5-anilino-3-methylthiophene-2-carboxylate","","- C16 H17 N O3 S -","- C16 H17 N O3 S -","- C32 H34 N2 O6 S2 -","2","1","RZ5071","Mabkhot, Yahia Nasser; Alatibi, Fatima; Barakat, Assem; Choudhary, M. Iqbal; Yousuf, Sammer","Ethyl 4-acetyl-5-anilino-3-methylthiophene-2-carboxylate","Acta Crystallographica Section E","2013","69","7","o1049","","10.1107/S160053681301547X","","","0.71073","MoKα","","0.0646","0.048","","","0.1143","0.1255","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238245","6.874","0.003","10.189","0.005","8.099","0.004","90","","106.58","0.02","90","","543.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","<i>N</i>,<i>N</i>'-Dihydroxybenzene-1,2:4,5-tetracarboximide dihydrate","2,6-Dihydroxy-1<i>H</i>,2<i>H</i>,3<i>H</i>,5<i>H</i>,6<i>H</i>,7<i>H</i>-pyrrolo[3,4-<i>f</i>]isoindole-1,3,5,7-tetrone dihydrate","","- C10 H8 N2 O8 -","- C10 H8 N2 O8 -","- C20 H16 N4 O16 -","2","0.5","RZ5073","Centore, Roberto; Carella, Antonio","<i>N</i>,<i>N</i>'-Dihydroxybenzene-1,2:4,5-tetracarboximide dihydrate","Acta Crystallographica Section E","2013","69","7","o1152","o1153","10.1107/S1600536813016991","","","0.71073","MoKα","","0.041","0.0361","","","0.0943","0.1001","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238246","8.774","0.0002","8.774","0.0002","10.0282","0.0003","90","","90","","90","","772","0.03","140","2","140","1","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","(4<i>S</i>,5<i>S</i>)-2,2-Dimethyl-1,3-dioxolane-4,5-dicarbonitrile","","- C7 H8 N2 O2 -","- C7 H8 N2 O2 -","- C28 H32 N8 O8 -","4","0.5","SJ5320","Haines, Alan H.; Hughes, David L.","(4<i>S</i>,5<i>S</i>)-2,2-Dimethyl-1,3-dioxolane-4,5-dicarbonitrile","Acta Crystallographica Section E","2013","69","7","o1104","","10.1107/S1600536813015973","","","0.71073","Mo-Kα","","0.0325","0.0303","","","0.0752","0.0763","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238247","6.4135","0.0003","11.4099","0.0006","27.8249","0.0014","90","","90","","90","","2036.15","0.18","120","0.1","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>meso</i>-4,4'-Dimethoxy-2,2'-{[(3a<i>R</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-benzimidazole-1,3-diyl]bis(methylene)}diphenol","","- C23 H30 N2 O4 -","- C23 H30 N2 O4 -","- C92 H120 N8 O16 -","4","1","SJ5324","Rivera, Augusto; Quiroga, Diego; Ríos-Motta, Jaime; Kučeraková, Monika; Dušek, Michal","<i>meso</i>-4,4'-Dimethoxy-2,2'-{[(3a<i>R</i>,7a<i>S</i>)-2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-benzimidazole-1,3-diyl]bis(methylene)}diphenol","Acta Crystallographica Section E","2013","69","7","o1057","o1058","10.1107/S1600536813015092","","","1.5418","CuKα","","0.0358","0.0306","","","0.075","0.0796","","","","","","1.13","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238248","9.279","0.0005","10.7696","0.0005","14.5758","0.0009","95.274","0.002","97.875","0.002","104.788","0.005","1382.75","0.14","298","","298","","","","","","","","","3","P -1","-P 1","2","4-hydroxycoumarin 4-methylbenzoate ester","2-Oxo-2<i>H</i>-chromen-4-yl 4-methylbenzoate","","- C17 H12 O4 -","- C17 H12 O4 -","- C68 H48 O16 -","4","2","SJ5325","Abou, Akoun; Djandé, Abdoulaye; Kakou-Yao, Rita; Saba, Adama; Tenon, Abodou Jules","2-Oxo-2<i>H</i>-chromen-4-yl 4-methylbenzoate","Acta Crystallographica Section E","2013","69","7","o1081","o1082","10.1107/S1600536813015717","","","0.71073","MoKα","","0.1311","0.0705","","","0.1572","0.1934","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238249","18.5417","0.0009","6.0597","0.0004","8.9415","0.0005","90","","90","","90","","1004.64","0.1","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","4,4'-Dimethyl-2,2'-{[2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-benzimidazole-1,3-diyl]bis(methylene)}diphenol","","- C23 H30 N2 O2 -","- C23 H30 N2 O2 -","- C46 H60 N4 O4 -","2","0.5","SJ5327","Rivera, Augusto; Osorio, Héctor Jairo; Maldonado, Mauricio; Ríos-Motta, Jaime; Bolte, Michael","4,4'-Dimethyl-2,2'-{[2,3,3a,4,5,6,7,7a-octahydro-1<i>H</i>-benzimidazole-1,3-diyl]bis(methylene)}diphenol","Acta Crystallographica Section E","2013","69","7","o1059","","10.1107/S1600536813015237","","","0.71073","MoKα","","0.0364","0.0344","","","0.0886","0.0899","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238250","10.1341","0.00014","21.9219","0.0003","19.3747","0.0003","90","","90","","90","","4304.26","0.11","173","3","173","2","","","","","","","","4","P b c 21","P 2c -2b","29","","3,3-dimethyl-1<i>H</i>,4<i>H</i>-cyclopenta[<i>b</i>]indol-2(3<i>H</i>)-one","","- C13 H13 N O -","- C13 H13 N O -","- C208 H208 N16 O16 -","16","4","SJ5328","Lopchuk, Justin M.; Gribble, Gordon W.; Jasinski, Jerry P.","Bruceolline D: 3,3-dimethyl-1<i>H</i>,4<i>H</i>-cyclopenta[<i>b</i>]indol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","7","o1043","","10.1107/S1600536813014955","","","1.5418","CuKα","","0.0714","0.0681","","","0.1688","0.1744","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238251","6.668","0.0002","36.0404","0.0008","7.6093","0.0002","90","","99.728","0.002","90","","1802.35","0.08","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(3,4-Difluorobenzyl)-4-(4-methylphenylsulfonyl)piperazine","","- C18 H20 F2 N2 O2 S -","- C18 H20 F2 N2 O2 S -","- C72 H80 F8 N8 O8 S4 -","4","1","SJ5330","Sreenivasa, S.; Anitha, H. C.; Suchetan, P. A.; Palakshamurthy, B. S.; Savanur, J.; Tonannavar, J.","1-(3,4-Difluorobenzyl)-4-(4-methylphenylsulfonyl)piperazine","Acta Crystallographica Section E","2013","69","7","o1179","","10.1107/S1600536813016462","","","0.71073","MoKα","","0.059","0.0446","","","0.1061","0.1135","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238252","14.0965","0.001","10.4007","0.0007","20.6593","0.0015","90","","102.994","0.001","90","","2951.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[silver(I)-μ-<i>N</i>-(pyridin-3-ylmethyl)pyridine-2-amine-κ^2^<i>N</i>:<i>N</i>'] trifluoromethanesulfonate]","","- C12 H11 Ag F3 N3 O3 S -","- C12 H11 Ag F3 N3 O3 S -","- C96 H88 Ag8 F24 N24 O24 S8 -","8","2","SJ5332","Moon, Suk-Hee; Park, Ki-Min","<i>catena</i>-Poly[[silver(I)-μ-<i>N</i>-(pyridin-3-ylmethyl)pyridine-2-amine-κ^2^<i>N</i>:<i>N</i>'] trifluoromethanesulfonate]","Acta Crystallographica Section E","2013","69","7","m414","m415","10.1107/S1600536813016309","","","0.71073","MoKα","","0.1111","0.0881","","","0.2239","0.238","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238253","9.865","0.003","11.659","0.004","13.561","0.005","91.91","0.03","98.85","0.03","105.2","0.04","1482.8","0.9","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","(3-Acetyl-4-methyl-1<i>H</i>-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(II) 3.5-hydrate","","- C31 H29 N6 Ni O6.5 -","- C31 H29 N6 Ni O6.5 -","- C62 H58 N12 Ni2 O13 -","2","1","SJ5334","Malinkin, Sergey; Kapshuk, Anatoliy A.; Gumienna-Kontecka, Elzbieta; Prisyazhnaya, Elena V.; Iskenderov, Turganbay S.","(3-Acetyl-4-methyl-1<i>H</i>-pyrazol-1-ide-5-carboxylato)bis(1,10-phenanthroline)nickel(II) 3.5-hydrate","Acta Crystallographica Section E","2013","69","7","m417","m418","10.1107/S1600536813017194","","","0.71073","MoKα","","0.1554","0.0616","","","0.1297","0.1531","","","","","","0.85","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238254","7.6534","0.0006","16.3503","0.0011","11.4887","0.0006","90","","96.889","0.002","90","","1427.26","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)pyridine-3-carbohydrazide dihydrate","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C56 H68 N12 O16 -","4","1","SJ5336","Novina, J. Josephine; Vasuki, G.; Suresh, M.; Padusha, M. Syed Ali","(<i>E</i>)-<i>N</i>'-(4-Methoxybenzylidene)pyridine-3-carbohydrazide dihydrate","Acta Crystallographica Section E","2013","69","7","o1177","o1178","10.1107/S1600536813017406","","","0.71073","MoKα","","0.0844","0.0464","","","0.1278","0.1552","","","","","","0.931","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238255","21.0879","0.0016","6.211","0.0004","17.9086","0.0016","90","","109.168","0.006","90","","2215.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-Di-<i>tert</i>-butyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","","- C25 H36 N2 O2 -","- C25 H36 N2 O2 -","- C100 H144 N8 O8 -","4","1","SJ5337","Rivera, Augusto; Nerio, Luz Stella; Bolte, Michael","4,4'-Di-<i>tert</i>-butyl-2,2'-[imidazolidine-1,3-diylbis(methylene)]diphenol","Acta Crystallographica Section E","2013","69","7","o1166","","10.1107/S1600536813017157","","","0.71073","MoKα","","0.1333","0.1193","","","0.3179","0.3239","","","","","","1.129","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238256","3.9971","0.0004","12.4705","0.0012","22.462","0.002","90","","92.442","0.001","90","","1118.62","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,6-Dibromo-2-naphthol","1,6-Dibromonaphthalen-2-ol methanol monosolvate","","- C11 H10 Br2 O2 -","- C11 H10 Br2 O2 -","- C44 H40 Br8 O8 -","4","1","SU2599","Sanders, Marisa B.; Furkan, Tania; Leonard, Emily; Chan, Benny C.","1,6-Dibromonaphthalen-2-ol methanol monosolvate","Acta Crystallographica Section E","2013","69","7","o1149","","10.1107/S1600536813016371","","","0.71073","MoKα","","0.0567","0.0356","","","0.0679","0.0742","","","","","","1.018","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238257","8.9341","0.0009","11.7697","0.0012","13.3828","0.0014","72.776","0.005","89.574","0.005","74.995","0.005","1294.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 8''-chloro-1'-methyl-2,12''-dioxo-12''<i>H</i>-dispiro[indoline-3,2'-pyrrolidine-3',6''-indolo[2,1-<i>b</i>]quinazoline]-4'-carboxylate","","- C29 H23 Cl N4 O4 -","- C29 H23 Cl N4 O4 -","- C58 H46 Cl2 N8 O8 -","2","1","SU2600","Kannan, Piskala Subburaman; Lanka, Srinu; Thennarasu, Sathiah; Govindan, E.; SubbiahPandi, Arunachalathevar","Ethyl 8''-chloro-1'-methyl-2,12''-dioxo-12''<i>H</i>-dispiro[indoline-3,2'-pyrrolidine- 3',6''-indolo[2,1-<i>b</i>]quinazoline]-4'-carboxylate","Acta Crystallographica Section E","2013","69","7","o1062","o1063","10.1107/S1600536813015146","","","0.71073","MoKα","","0.0673","0.0529","","","0.1487","0.1609","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238258","13.298","0.003","13.608","0.004","14.356","0.003","90","","90","","90","","2597.9","1.1","194","2","194","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-[(1<i>R</i>,2<i>R</i>,4<i>R</i>)-2-Methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-1<i>H</i>-tetrazole","","- C12 H20 N4 O -","- C12 H20 N4 O -","- C96 H160 N32 O8 -","8","2","SU2603","Bats, Jan W.; Schell, Peter; Engels, Joachim W.","5-[(1<i>R</i>,2<i>R</i>,4<i>R</i>)-2-Methoxy-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]-1<i>H</i>-tetrazole","Acta Crystallographica Section E","2013","69","7","o1028","","10.1107/S1600536813014700","","","0.71073","MoKα","","0.1135","0.069","","","0.124","0.138","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238259","15.965","0.005","5.807","0.005","30.185","0.005","90","","90","","90","","2798","3","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-(3-Acetylphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C144 H112 N16 O16 -","8","2","SU2604","Bougueria, Hassiba; Benosmane, Ali; Benaouida, Mohamed Amine; Bouchoul, Abd El Kader; Bouaoud, Salah Eddine","1-(3-Acetylphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","Acta Crystallographica Section E","2013","69","7","o1052","","10.1107/S1600536813014918","","","0.71073","MoKα","","0.0479","0.0432","","","0.1168","0.1203","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238260","6.1879","0.0002","19.9274","0.0007","6.9846","0.0002","90","","91.199","0.001","90","","861.07","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Nitrophenol‒piperazine (2/1)","","- C16 H20 N4 O6 -","- C16 H20 N4 O6 -","- C32 H40 N8 O12 -","2","0.5","SU2605","Nagapandiselvi, Perumal; Muralidharan, Srinivasan; Srinivasan, Thothadri; Goplalakrishnan, Rengaswamy; Velmurugan, Devadasan","4-Nitrophenol‒piperazine (2/1)","Acta Crystallographica Section E","2013","69","7","o1044","","10.1107/S1600536813015328","","","0.71073","MoKα","","0.0447","0.0368","","","0.1035","0.1107","","","","","","1.037","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2238261","9.4359","0.0006","16.5086","0.0011","15.1964","0.001","90","","96.363","0.004","90","","2352.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Methyl-4-(naphthalen-2-yl)-3a-nitro-3,3a,4,9b-tetrahydro-2<i>H</i>-spiro[chromeno[3,4-<i>c</i>]pyrrole-1,3'-indolin]-2'-one","","- C29 H23 N3 O4 -","- C29 H23 N3 O4 -","- C116 H92 N12 O16 -","4","1","SU2607","Devi, Seenivasan Karthiga; Srinivasan, Thothadri; Rao, Jonnalagadda Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","2-Methyl-4-(naphthalen-2-yl)-3a-nitro-3,3a,4,9b-tetrahydro-2<i>H</i>-spiro[chromeno[3,4-<i>c</i>]pyrrole-1,3'-indolin]-2'-one","Acta Crystallographica Section E","2013","69","7","o1045","o1046","10.1107/S160053681301533X","","","0.71073","MoKα","","0.0799","0.0476","","","0.1219","0.1413","","","","","","1.029","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238262","15.1863","0.001","15.5795","0.0011","16.9774","0.0012","75.473","0.002","85.686","0.002","84.762","0.002","3866.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5,11,17,23-Tetra-<i>tert</i>-butyl-25,26,27,28-tetrakis(4-methylsulfanylbenzyloxy)-2,8,14,20-tetrathiacalix[4]arene","","- C72 H80 O4 S8 -","- C72 H80 O4 S8 -","- C144 H160 O8 S16 -","2","1","SU2608","Gao, Qingsong; Xie, Dexun; An, Delie","1,3-Alternate conformer 5,11,17,23-tetra-<i>tert</i>-butyl-25,26,27,28-tetrakis(4-methylsulfanylbenzyloxy)-2,8,14,20-tetrathiacalix[4]arene","Acta Crystallographica Section E","2013","69","7","o1009","o1010","10.1107/S1600536813014827","","","0.71073","MoKα","","0.0917","0.0594","","","0.1568","0.1718","","","","","","0.961","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238263","22.0243","0.0005","16.1559","0.0004","4.8055","0.0001","90","","90","","90","","1709.9","0.07","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Ethyl 2-[(2-hydroxybenzylidene)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridine-3-carboxylate","","- C18 H20 N2 O3 S -","- C18 H20 N2 O3 S -","- C72 H80 N8 O12 S4 -","4","1","SU2610","Çolak, Naki; Köse, Dursun Ali; Marım, Nazmiye; Çelik, Ömer; Hökelek, Tuncer","Ethyl 2-[(2-hydroxybenzylidene)amino]-6-methyl-4,5,6,7-tetrahydrothieno[2,3-<i>c</i>]pyridine-3-carboxylate","Acta Crystallographica Section E","2013","69","7","o1116","o1117","10.1107/S1600536813016474","","","0.71073","MoKα","","0.0671","0.0431","","","0.0927","0.1042","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238264","9.8506","0.0003","10.0936","0.0003","12.1096","0.0004","90","","110.409","0.002","90","","1128.45","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-[(5-Chloro-2-hydroxybenzylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one","","- C10 H7 Cl N2 O2 S2 -","- C10 H7 Cl N2 O2 S2 -","- C40 H28 Cl4 N8 O8 S8 -","4","1","SU2611","Dal, Hakan","3-[(5-Chloro-2-hydroxybenzylidene)amino]-2-sulfanylidene-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2013","69","7","o1128","","10.1107/S1600536813016577","","","0.71073","MoKα","","0.0363","0.0282","","","0.0704","0.0805","","","","","","1.085","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238265","9.1349","0.0009","7.9451","0.0005","15.6121","0.0013","90","","90","","90","","1133.09","0.16","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>trans</i>-Diamminedichloridobis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)","","- C6 H14 Cl2 N6 Ni -","- C6 H14 Cl2 N6 Ni -","- C24 H56 Cl8 N24 Ni4 -","4","0.5","SU2612","Kannan, Piskala Subburaman; Ganeshraja, Ayyakannu Sundaram; Rajkumar, Kanniah; Anbalagan, Krishnamoorthy; SubbiahPandi, Arunachalatheva","<i>trans</i>-Diamminedichloridobis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)","Acta Crystallographica Section E","2013","69","7","m410","","10.1107/S1600536813016747","","","0.71073","MoKα","","0.051","0.0445","","","0.1238","0.1286","","","","","","1.109","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238266","10.2218","0.0004","7.8348","0.0003","17.5678","0.0006","90","","111.941","0.002","90","","1305.03","0.09","273","","273","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis{1-[(<i>E</i>)-(2-chlorophenyl)diazenyl]naphthalen-2-olato}copper(II)","","- C32 H20 Cl2 Cu N4 O2 -","- C32 H20 Cl2 Cu N4 O2 -","- C64 H40 Cl4 Cu2 N8 O4 -","2","0.5","SU2613","Benaouida, Mohamed Amine; Benosmane, Ali; Bouguerria, Hassiba; Bouaoud, Salah Eddine; Merazig, Hocine","Bis{1-[(<i>E</i>)-(2-chlorophenyl)diazenyl]naphthalen-2-olato}copper(II)","Acta Crystallographica Section E","2013","69","7","m405","","10.1107/S1600536813016681","","","0.71073","MoKα","","0.0421","0.0336","","","0.0788","0.0822","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238267","13.1495","0.0001","12.7439","0.0001","24.0386","0.0002","90","","97.186","0.001","90","","3996.65","0.06","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Pallidol hexaacetate ethyl acetate monosolvate","(±)-(4b<i>R</i>,5<i>R</i>,9b<i>R</i>,10<i>R</i>)-5,10-Bis[4-(acetyloxy)phenyl]-4b,5,9b,10-tetrahydroindeno[2,1-<i>a</i>]indene-1,3,6,8-tetrayl tetraacetate ethyl acetate monosolvate","","- C44 H42 O14 -","- C40 H34 O12 -","- C160 H136 O48 -","4","0.5","SU2614","Mao, Qinyong; Taylor, Dennis K.; Ng, Seik Weng; Tiekink, Edward R. T.","Pallidol hexaacetate ethyl acetate monosolvate","Acta Crystallographica Section E","2013","69","7","o1155","o1156","10.1107/S160053681301708X","","","1.54184","CuKα","","0.0378","0.0355","","","0.0935","0.095","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238268","7.1296","0.0003","12.9532","0.0007","15.6181","0.0008","111.562","0.002","90.536","0.002","100.779","0.002","1312.92","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-1-[2-(2-Cyanophenyl)diazen-2-ium-1-yl]naphthalen-2-olate","","- C17 H11 N3 O -","- C17 H11 N3 O -","- C68 H44 N12 O4 -","4","2","SU2616","Bougueria, Hassiba; Benaouida, Mohamed Amine; Bouacida, Sofiane; el kader Bouchoul, Abd","(<i>E</i>)-1-[2-(2-Cyanophenyl)diazen-2-ium-1-yl]naphthalen-2-olate","Acta Crystallographica Section E","2013","69","7","o1175","o1176","10.1107/S1600536813017261","","","0.71073","MoKα","","0.0867","0.046","","","0.1016","0.1198","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238269","19.2409","0.0015","6.8457","0.0006","15.6393","0.0013","90","","98.255","0.002","90","","2038.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3<i>E</i>,5<i>E</i>)-1-Allyl-3,5-bis(4-methoxybenzylidene)piperidin-4-one","","- C24 H25 N O3 -","- C24 H25 N O3 -","- C96 H100 N4 O12 -","4","1","TK5227","Almansour, Abdulrahman I.; Kumar, Raju Suresh; Arumugam, Natarajan; Vishnupriya, R.; Suresh, J.","(3<i>E</i>,5<i>E</i>)-1-Allyl-3,5-bis(4-methoxybenzylidene)piperidin-4-one","Acta Crystallographica Section E","2013","69","7","o1071","","10.1107/S1600536813015195","","","0.71073","MoKα","","0.0869","0.0496","","","0.1415","0.1691","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238270","11.4896","0.0015","7.9311","0.0011","13.4853","0.0017","90","","111.619","0.012","90","","1142.4","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>N</i>,<i>N</i>,<i>N</i>-Trimethyl-<i>N</i>-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate","","- C19 H34 N O8.5 S -","- C19 H31 N O7 S -","- C38 H62 N2 O14 S2 -","2","1","TK5228","Dmochowska, Barbara; Sikora, Karol; Chojnacki, Jaroslaw; Wojnowski, Wieslaw; Wiśniewski, Andrzej","<i>N</i>,<i>N</i>,<i>N</i>-Trimethyl-<i>N</i>-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-<small>D</small>-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate","Acta Crystallographica Section E","2013","69","7","o1019","o1020","10.1107/S1600536813014797","","","0.71073","MoKα","","0.0536","0.0514","","","0.1356","0.1392","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238271","8.0978","0.0016","9.7244","0.0019","11.694","0.002","89.26","0.03","89.12","0.03","89.64","0.03","920.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Poly[dimethylammonium [(μ~2~-benzene-1,2-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)[μ~2~-3-(pyridin-4-yl)-1<i>H</i>-pyrazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^3^]cuprate(II)]]","","- C18 H18 Cu N4 O4 -","- C16 H10 Cu N3 O4 -","- C32 H20 Cu2 N6 O8 -","2","1","TK5232","Na, Liu","Poly[dimethylammonium [(μ~2~-benzene-1,2-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^)[μ~2~-3-(pyridin-4-yl)-1<i>H</i>-pyrazol-1-ido-κ^2^<i>N</i>^1^:<i>N</i>^3^]cuprate(II)]]","Acta Crystallographica Section E","2013","69","7","m400","m401","10.1107/S1600536813016334","","","0.71073","MoKα","","0.0641","0.0458","","","0.1172","0.1237","","","","","","1.064","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238272","10.517","0.0005","11.241","0.0006","12.515","0.0007","110.364","0.002","102.049","0.002","107.409","0.001","1239.95","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Br F N O4 -","- C27 H27 Br F N O4 -","- C54 H54 Br2 F2 N2 O8 -","2","1","VM2194","Xu, Bing-Rong; He, Xing-Rui; Cheng, Jing-Li; Zhao, Jin-Hao","3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluorophenyl)acrylate","Acta Crystallographica Section E","2013","69","7","o1064","o1065","10.1107/S160053681301430X","","","0.71073","MoKα","","0.0723","0.0413","","","0.0929","0.1336","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238273","7.7468","0.0002","8.4036","0.0002","15.4765","0.0004","79.732","0.002","89.983","0.002","67.889","0.002","916.02","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(Dimethylamino)pyridinium trichlorido[4-(dimethylamino)pyridine-κ<i>N</i>]cobaltate(II)","","- C14 H21 Cl3 Co N4 -","- C14 H21 Cl3 Co N4 -","- C28 H42 Cl6 Co2 N8 -","2","1","VM2195","Guenifa, Fatiha; Hadjadj, Nasreddine; Zeghouan, Ouahida; Bendjeddou, Lamia; Merazig, Hocine","4-(Dimethylamino)pyridinium trichlorido[4-(dimethylamino)pyridine-κ<i>N</i>]cobaltate(II)","Acta Crystallographica Section E","2013","69","7","m379","m380","10.1107/S1600536813015602","","","0.71073","MoKα","","0.0229","0.0205","","","0.0526","0.0541","","","","","","1.044","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238274","9.7857","0.0003","13.7658","0.0005","17.0297","0.0006","66.581","0.004","78.689","0.003","72.601","0.003","2000.9","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Tris(<i>N</i>,<i>N</i>-dimethylanilinium) tri-μ-bromido-bis[tribromidoantimonate(III)]","","- C24 H36 Br9 N3 Sb2 -","- C24 H36 Br9 N3 Sb2 -","- C48 H72 Br18 N6 Sb4 -","2","1","VN2071","Kharrat, Houda; Kamoun, Slaheddine; Michaud, François","Tris(<i>N</i>,<i>N</i>-dimethylanilinium) tri-μ-bromido-bis[tribromidoantimonate(III)]","Acta Crystallographica Section E","2013","69","7","m353","","10.1107/S1600536813014335","","","0.71073","MoKα","","0.1036","0.0422","","","0.0843","0.0956","","","","","","0.875","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238275","10.3138","0.0006","19.8865","0.0012","13.7584","0.0009","90","","92.984","0.001","90","","2818.1","0.3","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido{1-[(dimethylamino)methyl]ferrocenyl-κ^2^<i>C</i>^1^,<i>N</i>}(triphenylstibine-κ<i>Sb</i>)palladium(II)","","- C31 H31 Cl Fe N Pd Sb -","- C31 H31 Cl Fe N Pd Sb -","- C124 H124 Cl4 Fe4 N4 Pd4 Sb4 -","4","1","VN2072","Pérez, Diego; Sharma, Pankaj; Sharma, Manju; Hernández, Simón","Chlorido{1-[(dimethylamino)methyl]ferrocenyl-κ^2^<i>C</i>^2^,<i>N</i>}(triphenylstibine-κ<i>Sb</i>)palladium(II)","Acta Crystallographica Section E","2013","69","7","m372","","10.1107/S1600536813015109","","","0.71073","MoKα","","0.0434","0.0321","","","0.0602","0.0625","","","","","","0.934","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238276","7.4251","0.0002","9.8341","0.0002","13.3035","0.0003","78.803","0.001","83.305","0.002","86.344","0.002","945.58","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Chlorido[2,2'-[1,2-phenylenebis(nitrilomethanylylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) methanol monosolvate","","- C21 H18 Cl Mn N2 O3 -","- C21 H18 Cl Mn N2 O3 -","- C42 H36 Cl2 Mn2 N4 O6 -","2","1","VN2073","Lin, Hui; Wang, Jian-Gang; Shi, Hua-Tian; Chen, Qun; Zhang, Qian-Feng","Chlorido[2,2'-[1,2-phenylenebis(nitrilomethanylylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) methanol monosolvate","Acta Crystallographica Section E","2013","69","7","m404","","10.1107/S1600536813016450","","","0.71073","MoKα","","0.054","0.0345","","","0.0773","0.0858","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238277","10.7285","0.0003","18.547","0.0004","38.0785","0.0009","90","","90","","90","","7576.9","0.3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>cis</i>-Bis(<i>O</i>-methyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II)","","- C40 H36 O2 P2 Ru S4 -","- C40 H36 O2 P2 Ru S4 -","- C320 H288 O16 P16 Ru8 S32 -","8","1","VN2074","Valerio-Cárdenas, Cintya; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David","<i>cis</i>-Bis(<i>O</i>-methyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II)","Acta Crystallographica Section E","2013","69","7","m408","m409","10.1107/S1600536813016735","","","0.71073","MoKα","","0.0637","0.039","","","0.0843","0.0967","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238278","7.852","0.0006","6.7922","0.0005","17.5394","0.0009","90","","95.44","0.003","90","","931.2","0.11","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrammine-Carbonatocobalt(III) Nitrate","Tetraammine(carbonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III)","","- C H12 Co N5 O6 -","- C H12 Co N5 O6 -","- C4 H48 Co4 N20 O24 -","4","1","VN2075","Le Bail, Armel","Tetraammine(carbonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) nitrate: a powder X-ray diffraction study","Acta Crystallographica Section E","2013","69","7","i42","i43","10.1107/S1600536813017522","powder diffraction","","1.5418","CuKα","","2.64","","","","","","","","2.85","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238279","10.2211","0.0001","17.1355","0.0002","16.4142","0.0002","90","","125.484","0.001","90","","2340.92","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[diaquatris(μ~2~-4,4'-bipyridine)bis[μ~2~-2-(carboxylatomethylsulfanyl)nicotinato]dicobalt(II)] 1.3-hydrate]","","- C46 H40.6 Co2 N8 O11.3 S2 -","- C46 H38 Co2 N8 O11.3 S2 -","- C92 H76 Co4 N16 O22.6 S4 -","2","0.5","WM2744","Li, Rui-Qin; Wang, Xiao-Juan; Feng, Yun-Long","Poly[[diaquatris(μ~2~-4,4'-bipyridine)bis[μ~2~-2-(carboxylatomethylsulfanyl)nicotinato]dicobalt(II)] 1.3-hydrate]","Acta Crystallographica Section E","2013","69","7","m371","","10.1107/S1600536813015262","","","0.71073","MoKα","","","0.0325","","","0.0883","0.0932","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238280","7.492","0.0002","22.1442","0.0006","11.6045","0.0003","90","","90","","90","","1925.24","0.09","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Diaqua{2,2'-dimethoxy-6,6'-[(1<i>E</i>,1'<i>E</i>)-propane-1,3-diylbis(azanylylidene)bis(methanylylidene)]diphenolato}nickel(II)","","- C19 H24 N2 Ni O6 -","- C19 H24 N2 Ni O6 -","- C76 H96 N8 Ni4 O24 -","4","0.5","WM2747","Datta, Amitabha; Machura, Barbara; Huang, Jui-Hsien; Sheu, Shiann-Cherng","Diaqua{2,2'-dimethoxy-6,6'-[(1<i>E</i>,1'<i>E</i>)-propane-1,3-diylbis(azanylylidene)bis(methanylylidene)]diphenolato}nickel(II)","Acta Crystallographica Section E","2013","69","7","m399","","10.1107/S1600536813016188","","","0.71073","MoKα","","0.029","0.0253","","","0.0706","0.0729","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238281","9.4521","0.0002","11.0048","0.0003","12.9761","0.0002","100.501","0.002","109.007","0.001","98.427","0.001","1223.62","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","<i>cis</i>-Dichloridotetrakis(dimethyl sulfoxide-κ<i>O</i>)chromium(III) chloride dimethyl sulfoxide monosolvate","","- C10 H30 Cl3 Cr O5 S5 -","- C10 H30 Cl3 Cr O5 S5 -","- C20 H60 Cl6 Cr2 O10 S10 -","2","1","WM2748","Al-Najjar, Nada A.; Al-Sudani, Abdul-Razak H.; Shanshal, Muthana A.; Mousa, Falih H.; Kariuki, Benson M.","<i>cis</i>-Dichloridotetrakis(dimethyl sulfoxide-κ<i>O</i>)chromium(III) chloride dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2013","69","7","m395","m396","10.1107/S160053681301622X","","","0.71073","MoKα","","0.0711","0.0514","","","0.1203","0.1383","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238282","16.9093","0.001","9.7287","0.0005","20.9019","0.0012","90","","112.396","0.003","90","","3179.1","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","katayamalite","Potassium trilithium heptacalcium dititanium dodecasilicate dihydroxide","","- Ca7 H2 K Li3 O38 Si12 Ti2 -","- Ca7 H2 K Li3 O38 Si12 Ti2 -","- Ca28 H8 K4 Li12 O152 Si48 Ti8 -","4","0.5","WM2749","Andrade, Marcelo B.; Doell, Donald; Downs, Robert T.; Yang, Hexiong","Redetermination of katayamalite, KLi~3~Ca~7~Ti~2~(SiO~3~)~12~(OH)~2~","Acta Crystallographica Section E","2013","69","7","i41","","10.1107/S1600536813016620","","","0.71073","MoKα","","0.0591","0.0348","","","0.0742","0.0825","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238283","27.2051","0.0006","20.4336","0.0005","11.437","0.0002","90","","90","","90","","6357.8","0.2","175","","175","","","","","","","","","7","A b a 2","A 2 -2ab","41","","Poly[tetrabutylammonium [chloridohexamethyl-μ~3~-sulfato-distannate(IV)]]","","- C22 H54 Cl N O4 S Sn2 -","- C22 H54 Cl N O4 S Sn2 -","- C176 H432 Cl8 N8 O32 S8 Sn16 -","8","","WM2750","Diop, Tidiane; van der Lee, Arie; Sidibé, Mamadou","Poly[tetrabutylammonium [chloridohexamethyl-μ~3~-sulfato-distannate(IV)]]","Acta Crystallographica Section E","2013","69","7","m406","m407","10.1107/S1600536813016723","","","0.71073","MoKα","","0.0612","0.0528","","0.0586","0.053","0.0529","","","","","","1.0688","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238284","30.164","0.002","8.0739","0.0004","10.2696","0.0005","90","","98.752","0.002","90","","2471.9","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Poly[μ~2~-aqua-μ~4~-[1-(4-chlorophenyl)-4,4,4-trifluorobutane-1,3-dionato]-potassium]","","- C10 H7 Cl F3 K O3 -","- C10 H7 Cl F3 K O3 -","- C80 H56 Cl8 F24 K8 O24 -","8","1","WM2752","Martins, João P.; Arranja, Cláudia C.; Sobral, Abílio J. F. N.; Ramos Silva, Manuela","Poly[μ~2~-aqua-μ~4~-[1-(4-chlorophenyl)-4,4,4-trifluorobutane-1,3-dionato]-potassium]","Acta Crystallographica Section E","2013","69","7","m422","m423","10.1107/S1600536813017388","","","0.71073","MoKα","","0.0593","0.0374","","","0.0858","0.097","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238285","13.3975","0.0014","18.7124","0.0018","6.5721","0.0008","90","","97.897","0.01","90","","1632","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[(6-Chloropyridin-3-yl)methyl]-10-nitro-1,2,3,5,6,7,8,9-octahydro-5,9-methanoimidazo[1,2-<i>a</i>]azocin-5-ol","","- C16 H19 Cl N4 O3 -","- C16 H19 Cl N4 O3 -","- C64 H76 Cl4 N16 O12 -","4","1","XU5695","Cui, Shu-Xia; Zhang, Guang-You; Tian, Zhong-Zhen","1-[(6-Chloropyridin-3-yl)methyl]-10-nitro-1,2,3,5,6,7,8,9-octahydro-5,9-methanoimidazo[1,2-<i>a</i>]azocin-5-ol","Acta Crystallographica Section E","2013","69","7","o1015","","10.1107/S1600536813014402","","","0.71073","MoKα","","0.1241","0.071","","","0.1902","0.2171","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238286","3.71","0.0005","13.4195","0.0019","18.033","0.003","90","","94.143","0.003","90","","895.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Carbamoyl(diaminomethylidene)azanium 3-nitro-5-oxo-4,5-dihydro-1<i>H</i>-1,2,4-triazol-4-ide","","- C4 H8 N8 O4 -","- C4 H8 N8 O4 -","- C16 H32 N32 O16 -","4","1","XU5702","Huang, Xin-Ping; Wang, Bo-Zhou; Li, Dong-Ping; Ng, Seik Weng","Carbamoyl(diaminomethylidene)azanium 3-nitro-5-oxo-4,5-dihydro-1<i>H</i>-1,2,4-triazol-4-ide","Acta Crystallographica Section E","2013","69","7","o1086","","10.1107/S1600536813015699","","","0.71073","MoKα","","0.0796","0.0435","","","0.0979","0.1164","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238287","19.728","0.0006","7.4755","0.0003","24.4847","0.0007","90","","90","","90","","3610.9","0.2","292","2","292","2","","","","","","","","7","P n a 21","P 2c -2n","33","","{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone","","- C21 H13 Cl F N O2 S -","- C21 H13 Cl F N O2 S -","- C168 H104 Cl8 F8 N8 O16 S8 -","8","2","XU5707","Venugopala, K. N.; Nayak, Susanta K.; Govender, Thavendran; Kruger, Hendrik G.; Maguire, Glenn E. M.","{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone","Acta Crystallographica Section E","2013","69","7","o1007","o1008","10.1107/S1600536813014621","","","0.7107","MoKα","","0.1125","0.0531","","","0.0942","0.1181","","","","","","0.994","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238288","16.34","0.002","5.7665","0.0004","15.632","0.002","90","","113.604","0.004","90","","1349.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(3-Chlorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","","- C16 H11 Cl N2 O -","- C16 H11 Cl N2 O -","- C64 H44 Cl4 N8 O4 -","4","1","XU5708","Benosmane, Ali; Mili, Assia; Bouguerria, Hassiba; Bouchoul, Abdelkader","(<i>E</i>)-1-(3-Chlorophenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","Acta Crystallographica Section E","2013","69","7","o1021","","10.1107/S1600536813014931","","","0.71073","MoKα","","0.1204","0.0588","","","0.146","0.1851","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238289","17.1956","0.0002","17.0918","0.0002","17.3903","0.0002","90","","106.416","0.001","90","","4902.72","0.1","173","0.14","173","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aqua(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)cadmium‒18-crown-6 (1/1)","","- C56 H54 Cd N4 O7 -","- C56 H54 Cd N4 O7 -","- C224 H216 Cd4 N16 O28 -","4","1","XU5709","Toumi, Hamza; Belghith, Yassine; Daran, Jean-Claude; Nasri, Habib","Aqua(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)cadmium(II)‒18-crown-6 (1/1)","Acta Crystallographica Section E","2013","69","7","m354","m355","10.1107/S160053681301489X","","","0.71073","MoKα","","0.0379","0.0282","","","0.0671","0.0735","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238290","31.8553","0.0008","6.1786","0.0002","7.5117","0.0003","90","","96.554","0.002","90","","1468.8","0.08","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[aquabis(μ-3-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')zinc]","","- C14 H10 Cl2 O5 Zn -","- C14 H10 Cl2 O5 Zn -","- C56 H40 Cl8 O20 Zn4 -","4","0.5","XU5711","Bozkurt, Nihat; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","<i>catena</i>-Poly[aquabis(μ-3-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')zinc]","Acta Crystallographica Section E","2013","69","7","m381","m382","10.1107/S160053681301564X","","","0.71073","MoKα","","0.0276","0.0256","","","0.0671","0.0686","","","","","","1.115","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238291","13.9469","0.0006","9.3616","0.0004","27.7941","0.0012","90","","96.584","0.001","90","","3605","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","μ-(Acetic acid)-di-μ-chlorido-bis[triphenyltellurium(IV)] monohydrate","","- C38 H36 Cl2 O3 Te2 -","- C38 H36 Cl2 O3 Te2 -","- C152 H144 Cl8 O12 Te8 -","4","1","XU5713","Hu, Feng; Xu, Chao; Shi, Hua-Tian; Chen, Qun; Zhang, Qian-Feng","μ-(Acetic acid)-di-μ-chlorido-bis[triphenyltellurium(IV)] monohydrate","Acta Crystallographica Section E","2013","69","7","o1171","","10.1107/S160053681301739X","","","0.71073","MoKα","","0.0462","0.0315","","","0.0726","0.0779","","","","","","1.076","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238292","7.9961","0.0002","10.6641","0.0002","11.1695","0.0002","71.98","0.001","74.694","0.001","79.964","0.001","869.13","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Bromo-2-(4-fluorophenyl)-7-methyl-3-phenylsulfinyl-1-benzofuran","","- C21 H14 Br F O2 S -","- C21 H14 Br F O2 S -","- C42 H28 Br2 F2 O4 S2 -","2","1","XU5714","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Bromo-2-(4-fluorophenyl)-7-methyl-3-phenylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2013","69","7","o1135","","10.1107/S1600536813016760","","","0.71073","MoKα","","0.0348","0.0287","","","0.0722","0.0754","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238293","8.4","0.0017","11.008","0.002","12.304","0.003","74.33","0.03","75.38","0.03","86.18","0.03","1060","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-(2-ethoxy-2-oxoethyl)-3-oxo-4,13-diazapentacyclo[11.8.0.0^2,11^.0^5,10^.0^14,19^]henicosa-1,5(10),6,8,11,14(19),15,17,20-nonaene-12-carboxylate","","- C26 H22 N2 O5 -","- C26 H22 N2 O5 -","- C52 H44 N4 O10 -","2","1","YK2094","Meng, Qing-Hua; Wu, Ya-Nan; Jiang, Ke; Liu, Yun","Ethyl 4-(2-ethoxy-2-oxoethyl)-3-oxo-4,13-diazapentacyclo[11.8.0.0^2,11^.0^5,10^.0^14,19^]henicosa-1,5(10),6,8,11,14(19),15,17,20-nonaene-12-carboxylate","Acta Crystallographica Section E","2013","69","7","o1130","","10.1107/S1600536813015833","","","0.71073","MoKα","","0.0754","0.0546","","","0.1399","0.1534","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238294","9.4741","0.0002","15.95","0.0006","17.9102","0.0008","90","","90","","90","","2706.44","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-[4-(Carbazol-9-yl)phenyl]-1,3-diethyl-1,3-diphenylguanidine","","- C35 H32 N4 -","- C35 H32 N4 -","- C140 H128 N16 -","4","1","ZL2551","Tiritiris, Ioannis; Kantlehner, Willi","2-[4-(Carbazol-9-yl)phenyl]-1,3-diethyl-1,3-diphenylguanidine","Acta Crystallographica Section E","2013","69","7","o1066","","10.1107/S1600536813014517","","","0.71073","MoKα","","0.0504","0.0384","","","0.0809","0.0857","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238295","9.5222","0.0006","9.5799","0.0006","10.2195","0.0006","67.777","0.001","88.063","0.001","72.464","0.001","819.49","0.09","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","5,15-Bis(4-pentyloxyphenyl)porphyrin","","- C42 H42 N4 O2 -","- C42 H42 N4 O2 -","- C42 H42 N4 O2 -","1","0.5","ZL2552","Senge, Mathias O.","5,15-Bis(4-pentyloxyphenyl)porphyrin","Acta Crystallographica Section E","2013","69","7","o1048","","10.1107/S160053681301550X","","","0.71073","MoKα","","0.0766","0.0453","","","0.0955","0.1088","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238296","13.0939","0.0007","8.9752","0.0005","14.2986","0.0011","90","","90","","90","","1680.38","0.18","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[(acetonitrile-κ<i>N</i>)-μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>-cadmium]","","- C4 H3 Cd N3 S2 -","- C4 H3 Cd N3 S2 -","- C32 H24 Cd8 N24 S16 -","8","1","ZL2553","Reinert, Thorben; Jess, Inke; Näther, Christian","Poly[(acetonitrile-κ<i>N</i>)-μ~3~-thiocyanato-κ^3^<i>N</i>:<i>S</i>:<i>S</i>-μ~2~-thiocyanato-κ^2^<i>N</i>:<i>S</i>-cadmium]","Acta Crystallographica Section E","2013","69","7","m398","","10.1107/S1600536813015870","","","0.71073","MoKα","","0.0343","0.0334","","","0.089","0.0897","","","","","","1.166","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238297","18.8842","0.0011","9.5339","0.0004","19.114","0.0009","90","","90","","90","","3441.3","0.3","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","5-Phenyl-3,5-dihydro-<i>o</i>-benzenonaphtho[1,2-<i>c</i>]thiophene","8-Phenyl-16-thiapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9,11,13,18-heptaene","","- C24 H18 S -","- C24 H18 S -","- C192 H144 S8 -","8","1","ZL2554","Mathew, Eason M.; Sithambaresan, M.; Unnikrishnan, P. A.; Kurup, M. R. Prathapachandra","8-Phenyl-16-thiapentacyclo[6.6.5.0^1,18^.0^2,7^.0^9,14^]nonadeca-2,4,6,9,11,13,18-heptaene","Acta Crystallographica Section E","2013","69","7","o1165","","10.1107/S1600536813017285","","","0.71073","MoKα","","0.0649","0.0421","","","0.1148","0.138","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238298","6.8988","0.0015","9.14","0.002","11.95","0.003","80.937","0.009","75.365","0.008","79.614","0.008","712.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","8-Chloromethyl-5-(2,5-dioxooxolan-3-yl)-3,3a,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>c</i>]furan-1,3-dione","","- C17 H13 Cl O6 -","- C17 H13 Cl O6 -","- C34 H26 Cl2 O12 -","2","1","ZP2004","Guo, Y. Z.; Song, Y. Z.; Liu, J. G.; Yang, S. Y.","8-Chloromethyl-5-(2,5-dioxooxolan-3-yl)-3,3a,4,5-tetrahydro-1<i>H</i>-naphtho[1,2-<i>c</i>]furan-1,3-dione","Acta Crystallographica Section E","2013","69","7","o1031","o1032","10.1107/S1600536813014943","","","0.71073","MoKα","","0.0456","0.0423","","","0.1057","0.1081","","","","","","1.102","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238299","8.5699","0.0007","7.52","0.0006","16.6101","0.0018","90","","102.682","0.007","90","","1044.33","0.17","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-Methoxy-9-(2-methoxy-9<i>H</i>-xanthen-9-ylidene)-9<i>H</i>-xanthene","","- C28 H20 O4 -","- C28 H20 O4 -","- C56 H40 O8 -","2","0.5","ZQ2201","Tian, Xiang-Yu; Song, Qin-Hua","(<i>E</i>)-2-Methoxy-9-(2-methoxy-9<i>H</i>-xanthen-9-ylidene)-9<i>H</i>-xanthene","Acta Crystallographica Section E","2013","69","7","o1167","","10.1107/S1600536813017297","","","0.71073","MoKα","","0.0745","0.0374","","","0.0568","0.0603","","","","","","0.997","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238300","9.2834","0.0003","6.7081","0.0002","16.8068","0.0006","90","","90","","90","","1046.63","0.06","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","2-Oxo-2<i>H</i>-chromen-4-yl propionic acid","","- C12 H10 O4 -","- C12 H10 O4 -","- C48 H40 O16 -","4","0.5","ZQ2203","Bibila Mayaya Bisseyou, Yvon; Abou, Akoun; Djandé, Abdoulaye; Danger, Grégoire; Kakou-Yao, Rita","2-Oxo-2<i>H</i>-chromen-4-yl propionate","Acta Crystallographica Section E","2013","69","7","o1125","o1126","10.1107/S1600536813016358","","","0.71073","MoKα","","0.0718","0.0561","","","0.1333","0.1459","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238301","7.889","0.0016","8.662","0.0017","16.629","0.003","90","","102.24","0.03","90","","1110.5","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","17-Cyclopropylmethyl-14-hydroxy-6-oxo-4,5-epoxymorphinan-6-yl benzoate","","- C27 H27 N O5 -","- C27 H27 N O5 -","- C54 H54 N2 O10 -","2","1","ZS2258","Yang, Rui; Wang, Guo-Hai; Liu, Xia-Li; Wang, Dong; Li, Xiang","<i>O</i>-Benzoylnaltrexone","Acta Crystallographica Section E","2013","69","7","o1107","","10.1107/S1600536813016036","","","0.71073","MoKα","","0.1122","0.0672","","","0.1543","0.1804","","","","","","1.001","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238302","5.257","0.0002","17.0254","0.0007","14.6879","0.0005","90","","97.806","0.002","90","","1302.42","0.09","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-3-(4-Hydroxybenzyl)chroman-4-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","ZS2259","Shalini, S.; Girija, C. R.; Simon, Lalitha; Srinivasan, K. K.; Venkatesha, T. V.","<i>rac</i>-3-(4-Hydroxybenzyl)chroman-4-one","Acta Crystallographica Section E","2013","69","7","o1011","o1012","10.1107/S1600536813014645","","","0.71073","MoKα","","0.0685","0.0411","","","0.0942","0.1097","","","","","","1.108","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238303","5.9029","0.0005","19.5613","0.0013","16.1662","0.0011","90","","93.493","0.007","90","","1863.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(2-chlorobenzylidene)cyclohexane-1,2-diamine","","- C20 H20 Cl2 N2 -","- C20 H20 Cl2 N2 -","- C80 H80 Cl8 N8 -","4","1","ZS2261","Warad, Ismail; Al-Noaimi, Mousa; Haddad, Salim F.; Al-Demeri, Yasmin; Hammouti, Belkheir","<i>rac</i>-(<i>E</i>,<i>E</i>)-<i>N</i>,<i>N</i>'-Bis(2-chlorobenzylidene)cyclohexane-1,2-diamine","Acta Crystallographica Section E","2013","69","7","o1075","","10.1107/S1600536813014554","","","0.71073","MoKα","","0.0735","0.0458","","","0.0921","0.1055","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238304","15.2489","0.0015","13.9888","0.0013","7.7198","0.0007","90","","109.809","0.001","90","","1549.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[di-μ~3~-bromido-bis[(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)disilver(I)]","","- C10 H16 Ag2 Br2 N4 -","- C10 H16 Ag2 Br2 N4 -","- C40 H64 Ag8 Br8 N16 -","4","0.5","ZS2262","Wang, Zhiguo; Bian, Qingquan; Guo, Ying","<i>catena</i>-Poly[di-μ~3~-bromido-bis[(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)disilver(I)]]","Acta Crystallographica Section E","2013","69","7","m411","","10.1107/S1600536813016875","","","0.71073","MoKα","","0.0196","0.0188","","","0.0474","0.0478","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238305","8.892","0.0015","10.748","0.0017","12.923","0.0018","110.258","0.009","90.952","0.006","108.408","0.007","1088.3","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","10-{4-[(2-Hydroxybenzylidene)amino]phenyl}-5,5-difluoro-1,3,7,9-tetramethyl-5<i>H</i>-dipyrrolo[1,2-<i>c</i>:2',1'-<i>f</i>][1,3,2]diazaborinin-4-ium-5-uide","","- C26 H24 B F2 N3 O -","- C26 H24 B F2 N3 O -","- C52 H48 B2 F4 N6 O2 -","2","1","ZS2263","Li, Zhensheng","10-{4-[(2-Hydroxybenzylidene)amino]phenyl}-5,5-difluoro-1,3,7,9-tetramethyl-5<i>H</i>-dipyrrolo[1,2-<i>c</i>:2',1'-<i>f</i>][1,3,2]diazaborinin-4-ium-5-uide","Acta Crystallographica Section E","2013","69","7","o1072","","10.1107/S1600536813015523","","","0.71075","MoKα","","0.1","0.0709","","","0.2093","0.2173","","","","","","1.092","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238306","10.484","0.002","7.924","0.0016","21.396","0.004","90","","95.16","0.03","90","","1770.3","0.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Bromo-4-(3,5-dibromo-2-hydroxyphenyl)-2-(piperidin-1-yl)-1,3-dithiol-2-ylium bromide","","- C14 H13 Br4 N O S2 -","- C14 H13 Br4 N O S2 -","- C56 H52 Br16 N4 O4 S8 -","4","1","ZS2264","Chirita, Paul; Hrib, Cristian G.; Birsa, Lucian M.","5-Bromo-4-(3,5-dibromo-2-hydroxyphenyl)-2-(piperidin-1-yl)-1,3-dithiol-2-ylium bromide","Acta Crystallographica Section E","2013","69","7","o1097","","10.1107/S1600536813016048","","","0.71073","MoKα","","0.085","0.0613","","","0.1281","0.1372","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238307","11.182","0.002","19.66","0.004","7.4593","0.0015","90","","105.44","0.03","90","","1580.7","0.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl morpholine-4-carbodithioate","","- C14 H16 Br N O3 S2 -","- C14 H16 Br N O3 S2 -","- C56 H64 Br4 N4 O12 S8 -","4","1","ZS2265","Sarbu, Laura G.; Hrib, Cristian G.; Birsa, Lucian M.","<i>rac</i>-1-(5-Bromo-2-hydroxyphenyl)-1-oxopropan-2-yl morpholine-4-carbodithioate","Acta Crystallographica Section E","2013","69","7","o1169","","10.1107/S1600536813017509","","","0.71073","MoKα","","0.0521","0.0452","","","0.0993","0.1023","","","","","","1.163","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238308","12.026","0.002","8.3448","0.0017","14.279","0.003","90","","91.98","0.03","90","","1432.1","0.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Bromo-2-[5-methyl-2-(morpholin-4-yl)-1,3-thiazol-4-yl]phenol","","- C14 H15 Br N2 O2 S -","- C14 H15 Br N2 O2 S -","- C56 H60 Br4 N8 O8 S4 -","4","1","ZS2266","Bahrin, Lucian G.; Hrib, Cristian G.; Birsa, Lucian M.","4-Bromo-2-[5-methyl-2-(morpholin-4-yl)-1,3-thiazol-4-yl]phenol","Acta Crystallographica Section E","2013","69","7","o1170","","10.1107/S1600536813017510","","","0.71073","MoKα","","0.0497","0.0382","","","0.0836","0.0876","","","","","","1.107","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238309","10.5625","0.0005","13.6374","0.0008","14.4927","0.0008","90","","90","","90","","2087.6","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(Naphthalen-1-yl){2-[(5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]phenyl}methanone","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","1","BG2509","Kanchanadevi, J.; Anbalagan, G.; Sivasakthikumaran, R.; Mohanakrishnan, A. K.; Gunasekaran, B.; Manivannan, V.","(Naphthalen-1-yl){2-[(5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]phenyl}methanone","Acta Crystallographica Section E","2013","69","8","o1201","","10.1107/S1600536813018035","","","0.71073","MoKα","","0.0714","0.0422","","","0.0876","0.0998","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238310","6.6471","0.0008","14.1216","0.0018","17.285","0.002","90","","90","","90","","1622.5","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1-(2,6-Diisopropylphenyl)-1<i>H</i>-benzimidazole","","- C19 H22 N2 -","- C19 H22 N2 -","- C76 H88 N8 -","4","1","BG2510","Lai, Sha; Chen, Yong; Li, Yan; Shen, Yonggang; Wu, Hongwei","1-(2,6-Diisopropylphenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2013","69","8","o1330","","10.1107/S1600536813020473","","","0.71073","MoKα","","0.0422","0.0349","","","0.0835","0.0879","","","","","","1.084","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238311","9.2474","0.0007","9.666","0.0006","9.8764","0.0008","70.268","0.006","64.052","0.008","86.231","0.005","743.69","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(3-Methoxybenzoyl)-4-methylbenzenesulfonamide","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C30 H30 N2 O8 S2 -","2","1","BG2511","Sreenivasa, S.; Palakshamurthy, B. S.; Lohith, T. N.; Mohan, N. R.; Kumar, Vijith; Suchetan, P. A.","<i>N</i>-(3-Methoxybenzoyl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2013","69","8","o1263","","10.1107/S1600536813019107","","","0.71073","MoKα","","0.0461","0.0394","","","0.1049","0.1121","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238312","24.3035","0.0015","13.831","0.0008","16.4507","0.0016","90","","107.345","0.008","90","","5278.3","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","4-Chlorobutyl 7-chloro-1-cyclopropyl-4-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-6-fluoro-1,4-dihydroquinoline-3-carboxylate","","- C25 H26 Cl2 F N3 O4 S -","- C25 H26 Cl2 F N3 O4 S -","- C200 H208 Cl16 F8 N24 O32 S8 -","8","1","BH2478","Sweidan, Kamal; Haddad, Salim F.; AlDamen, Murad A.; Al-Sheikhb, Ahmed","4-Chlorobutyl 7-chloro-1-cyclopropyl-4-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)-6-fluoro-1,4-dihydroquinoline-3-carboxylate","Acta Crystallographica Section E","2013","69","8","o1191","","10.1107/S1600536813016024","","","0.7107","MoKα","","0.1461","0.0776","","","0.1847","0.2303","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238313","18.4489","0.0015","16.9049","0.0013","3.8564","0.0003","90","","90","","90","","1202.72","0.16","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,4-Dibromo-1,3-dihydroxy-9<i>H</i>-xanthen-9-one","","- C13 H6 Br2 O4 -","- C13 H6 Br2 O4 -","- C52 H24 Br8 O16 -","4","1","BH2480","Huang, Shi-Wen; Yang, Zheng-Min; Huang, Fu-Ping; Qin, Jiang-Ke","2,4-Dibromo-1,3-dihydroxy-9<i>H</i>-xanthen-9-one","Acta Crystallographica Section E","2013","69","8","o1361","","10.1107/S1600536813019296","","","0.71073","MoKα","","0.0435","0.0344","","","0.0675","0.0696","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238314","8.054","0.001","9.906","0.003","9.14","0.001","90","","115.47","0.01","90","","658.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Rubidium copper iron bis(phosphate)","","- Cu Fe O8 P2 Rb -","- Cu Fe O8 P2 Rb -","- Cu4 Fe4 O32 P8 Rb4 -","4","1","BR2226","Badri, Abdessalem; Hidouri, Mourad; Ben Amara, Mongi","RbCuFe(PO~4~)~2~","Acta Crystallographica Section E","2013","69","8","i52","","10.1107/S1600536813019569","","","0.71073","MoKα","","0.0556","0.0461","","","0.1188","0.1263","","","","","","1.083","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238315","10.5672","0.0009","6.6323","0.0008","6.9621","0.0008","90","","90","","90","","487.94","0.09","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium sodium dioxidomolybdenum(VI) arsenate","","- As K0.78 Mo Na0.22 O6 -","- As K0.78 Mo Na0.22 O6 -","- As4 K3.12 Mo4 Na0.88 O24 -","4","0.5","BR2228","Jouini, Raja; Bouzidi, Chahira; Zid, Mohamed Faouzi; Driss, Ahmed","K~0.78~Na~0.22~MoO~2~AsO~4~","Acta Crystallographica Section E","2013","69","8","i47","","10.1107/S1600536813018540","","","0.71073","MoKα","","0.0254","0.0246","","","0.0667","0.067","","","","","","1.17","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238316","6.1467","0.0003","6.3742","0.0004","10.7048","0.0006","75.919","0.004","81.603","0.003","71.134","0.003","383.92","0.04","296","","296","","","","","","","","","4","P -1","-P 1","2","","Magnesium chromate(VI) pentahydrate","","- Cr H10 Mg O9 -","- Cr H10 Mg O9 -","- Cr2 H20 Mg2 O18 -","2","1","BR2229","Weil, Matthias","Redetermination of MgCrO~4~·5H~2~O","Acta Crystallographica Section E","2013","69","8","i48","i49","10.1107/S1600536813018588","","","0.71073","MoKα","","0.0428","0.031","","","0.0645","0.0686","","","","","","1.018","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238317","9.2283","0.0007","14.0584","0.001","16.4457","0.0013","94.869","0.002","102.547","0.002","105.27","0.002","1986.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","14-Methoxy-4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.0^2,7^.0^13,18^]octadeca-2(7),13,15,17-tetraene-3,5,11-trione","","- C23 H20 N2 O6 -","- C23 H20 N2 O6 -","- C92 H80 N8 O24 -","4","2","BT6915","Jagadeesan, G.; Jayashree, S.; Kannan, D.; Bakthadoss, M.; Aravindhan, S.","14-Methoxy-4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.0^2,7^.0^13,18^]octadeca-2(7),13,15,17-tetraene-3,5,11-trione","Acta Crystallographica Section E","2013","69","8","o1199","o1200","10.1107/S1600536813017789","","","0.71073","MoKα","","0.0659","0.047","","","0.1299","0.141","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238318","7.264","0.005","10.056","0.007","11.935","0.009","97.748","0.017","98.1","0.017","103.72","0.02","825.6","1","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","1-(2-Chlorophenyl)-3-(2-ethylhexanoyl)thiourea","","- C15 H21 Cl N2 O S -","- C15 H21 Cl N2 O S -","- C30 H42 Cl2 N4 O2 S2 -","2","1","BT6917","Santhakumari, R.; Selvanayagam, S.; Ramamurthi, K.; Radha, N.; Yamin, Bohari M.","1-(2-Chlorophenyl)-3-(2-ethylhexanoyl)thiourea","Acta Crystallographica Section E","2013","69","8","o1220","","10.1107/S160053681301828X","","","0.71073","MoKα","","0.1277","0.0759","","","0.191","0.2301","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238319","18.4336","0.0014","9.4516","0.0007","11.7077","0.0009","90","","90","","90","","2039.8","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","1-Dichloroacetyl-<i>t</i>-3-isopropyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","","- C22 H23 Cl2 N O2 -","- C22 H23 Cl2 N O2 -","- C88 H92 Cl8 N4 O8 -","4","1","BT6918","Sugumar, P.; Kayalvizhi, R.; Mini, R.; Ponnuswamy, S.; Ponnuswamy, M. N.","1-Dichloroacetyl-<i>t</i>-3-isopropyl-<i>r</i>-2,<i>c</i>-6-diphenylpiperidin-4-one","Acta Crystallographica Section E","2013","69","8","o1348","","10.1107/S1600536813019582","","","0.71073","MoKα","","0.0551","0.0476","","","0.1294","0.1362","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238320","22.1681","0.0018","6.6134","0.0005","10.7358","0.0008","90","","108.277","0.003","90","","1494.5","0.2","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","1,10,10-Trimethyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-4-en-2-ol","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","BT6921","Boualy, Brahim; Harrad, Mohamed Anouar; Oudahmane, Abdelghani; Benharref, Ahmed; Berraho, Moha","1,10,10-Trimethyl-5-phenyl-3-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-4-en-2-ol","Acta Crystallographica Section E","2013","69","8","o1314","","10.1107/S160053681302000X","","","0.71073","MoKα","","0.0483","0.0422","","","0.0976","0.1059","","","","","","1.076","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238321","8.2951","0.0003","12.307","0.0004","10.734","0.0004","90","","97.207","0.003","90","","1087.15","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bruceolline J","2-Hydroxy-3,3-dimethyl-2,3-dihydrocyclopenta[<i>b</i>]indol-1(4<i>H</i>)-one","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","BT6922","Lopchuk, Justin M.; Gribble, Gordon W.; Millikan, Sean P.; Jasinski, Jerry P.","Bruceolline J: 2-hydroxy-3,3-dimethyl-2,3-dihydrocyclopenta[<i>b</i>]indol-1(4<i>H</i>)-one","Acta Crystallographica Section E","2013","69","8","o1351","o1352","10.1107/S1600536813020527","","","0.7107","MoKα","","0.066","0.0476","","","0.1195","0.1335","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238322","5.8796","0.0002","12.7822","0.0004","19.1496","0.0007","90","","90","","90","","1439.17","0.08","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>S</i>,8<i>R</i>,10<i>R</i>,11<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-ol","","- C16 H28 O -","- C16 H28 O -","- C64 H112 O4 -","4","1","BT6923","Benharref, Ahmed; El karroumi, Jamal; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(1<i>S</i>,3<i>S</i>,8<i>R</i>,10<i>R</i>,11<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodecan-11-ol","Acta Crystallographica Section E","2013","69","8","o1350","","10.1107/S1600536813020576","","","0.71073","MoKα","","0.0462","0.0382","","","0.0963","0.1019","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238323","24.27","0.005","6.193","0.005","23.578","0.005","90","","107.554","0.005","90","","3379","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Amino-4-(1,3-benzoxazol-2-yl)-5-(cyclohexylamino)thiophene-2-carbonitrile","","- C18 H18 N4 O S -","- C18 H18 N4 O S -","- C144 H144 N32 O8 S8 -","8","1","BV2222","Youssef, Chiraz; Belhouchet, Mohamed; Ben Ammar, Hamed; Ben Salem, Ridha","3-Amino-4-(1,3-benzoxazol-2-yl)-5-(cyclohexylamino)thiophene-2-carbonitrile","Acta Crystallographica Section E","2013","69","8","o1339","","10.1107/S1600536813019880","","","0.71073","MoKα","","0.0799","0.0424","","","0.0944","0.1119","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238324","7.0281","0.0002","9.7903","0.0003","30.3813","0.0006","90","","94.168","0.002","90","","2084.92","0.1","119.8","0.6","119.8","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2'-{[2-(2-Chlorophenyl)-4-methylimidazolidine-1,3-diyl]bis(methylene)}diphenol","","- C24 H25 Cl N2 O2 -","- C24 H25 Cl N2 O2 -","- C96 H100 Cl4 N8 O8 -","4","1","BX2443","Rivera, Augusto; Cárdenas, Lorena; Ríos-Motta, Jaime; Kučeraková, Monika; Dušek, Michal","2,2'-{[2-(2-Chlorophenyl)-4-methylimidazolidine-1,3-diyl]bis(methylene)}diphenol","Acta Crystallographica Section E","2013","69","8","o1221","o1222","10.1107/S1600536813017923","","","0.71069","MoKα","","0.0661","0.0574","","","0.0781","0.0809","","","","","","2.66","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238325","10.9371","0.0005","10.4462","0.0005","13.5104","0.0007","90","","108.533","0.005","90","","1463.53","0.13","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-Chloro-3-[(2-oxo-2<i>H</i>-chromen-6-yl)amino]naphthalene-1,4-dione","","- C19 H10 Cl N O4 -","- C19 H10 Cl N O4 -","- C76 H40 Cl4 N4 O16 -","4","1","BX2446","Sousa, Mikaelly O. B.; Silveira, Gleiciani Q.; Gomez, Javier A. G.","2-Chloro-3-[(2-oxo-2<i>H</i>-chromen-6-yl)amino]naphthalene-1,4-dione","Acta Crystallographica Section E","2013","69","8","o1317","","10.1107/S1600536813019922","","","0.71073","MoKα","","0.0571","0.0362","","","","0.065","","","","","","0.908","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238326","6.6296","0.0005","6.8074","0.0006","8.7962","0.0007","94.579","0.006","103.326","0.006","106.552","0.006","365.75","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>catena</i>-Poly[[[tetraaquamagnesium]-<i>trans</i>-μ-[(piperazine-1,4-diium-1,4-diyl)bis(methylene)]diphosphonato] hemihydrate]","","- C6 H23 Mg N2 O10.5 P2 -","- C6 H23 Mg N2 O10.5 P2 -","- C6 H23 Mg N2 O10.5 P2 -","1","0.5","CQ2003","Schilling, Lars-Hendrik; Stock, Norbert","<i>catena</i>-Poly[[[tetraaquamagnesium]-<i>trans</i>-μ-[(piperazine-1,4-diium-1,4-diyl)bis(methylene)]diphosphonato] hemihydrate]","Acta Crystallographica Section E","2013","69","8","m452","m453","10.1107/S1600536813018722","","","0.71073","MoKα","","0.0351","0.0298","","","0.0779","0.0799","","","","","","1.005","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238327","11.8619","0.0004","11.8619","0.0004","9.8668","0.0004","90","","90","","120","","1202.31","0.08","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","Calcium hexakis(dihydrogenphosphito)stannate(IV), Ca[Sn(H~2~PO~2~)~6~], with some remarks on the so-called Ge~2~(H~2~PO~2~)~6~ structure type","","- Ca H12 O12 P6 Sn -","- Ca H12 O12 P6 Sn -","- Ca3 H36 O36 P18 Sn3 -","3","0.166667","CQ2005","Gieschen, Tobias; Reuter, Hans","Calcium hexakis(dihydrogenphosphito)stannate(IV), Ca[Sn(H~2~PO~2~)~6~], with some remarks on the so-called Ge~2~(H~2~PO~2~)~6~ structure type","Acta Crystallographica Section E","2013","69","8","i44","","10.1107/S1600536813018205","","","0.71073","MoKα","","0.0214","0.02","","","0.057","0.0575","","","","","","1.207","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238328","4.063","0.0007","9.0941","0.0015","13.23","0.002","90","","94.453","0.002","90","","487.36","0.14","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N,N'-bis(2-diazoacetyl)piperazine","1,4-Bis(2-diazoacetyl)piperazine","","- C8 H10 N6 O2 -","- C8 H10 N6 O2 -","- C16 H20 N12 O4 -","2","0.5","CV5412","Kaupang, Åsmund; Görbitz, Carl Henrik; Bonge-Hansen, Tore","1,4-Bis(2-diazoacetyl)piperazine","Acta Crystallographica Section E","2013","69","8","o1241","","10.1107/S1600536813018801","","","0.71073","MoKα","","0.0403","0.0335","","","0.0863","0.0902","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238329","10.5508","0.0016","28.371","0.004","10.5228","0.0014","90","","90","","90","","3149.9","0.8","200","2","200","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","Tenulin 0.25-hydrate","2-Hydroxy-2,2a,6,9a-tetramethyl-2a,4a,5,6,6a,9a,9b,9c-octahydro-2<i>H</i>- 1,4-dioxadicyclopent[<i>cd</i>,<i>f</i>]azulene-3,9-dione 0.25-hydrate","","- C17 H22.5 O5.25 -","- C17 H22.5 O5.25 -","- C136 H180 O42 -","8","2","CV5419","Knight, Kyle S.; Smith, Cole T.; Waddell, Thomas G.; Noll, Bruce","Tenulin 0.25-hydrate, a sesquiterpene lactone isolated from <i>Helenium amarum</i>","Acta Crystallographica Section E","2013","69","8","o1237","o1238","10.1107/S1600536813018369","","","0.71073","MoKα","","0.0604","0.0493","","","0.1158","0.1206","","","","","","1.259","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238330","7.4332","0.0007","9.1093","0.0008","20.1946","0.0019","90","","90","","90","","1367.4","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","<i>N</i>,<i>N</i>-Diethyl-4-[(<i>E</i>)-(pyridin-3-yl)diazenyl]aniline","","- C15 H18 N4 -","- C15 H18 N4 -","- C60 H72 N16 -","4","1","CV5422","Draguta, Sergiu; Leonova, Evgeniya; Fokina, Maria; Denisyuk, Igor; Timofeeva, Tatiana V.","<i>N</i>,<i>N</i>-Diethyl-4-[(<i>E</i>)-(pyridin-3-yl)diazenyl]aniline","Acta Crystallographica Section E","2013","69","8","o1280","","10.1107/S1600536813019545","","","0.71073","MoKα","","0.0477","0.0458","","","0.1109","0.1129","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238331","8.1719","0.0006","8.5341","0.0006","23.5868","0.0016","83.771","0.006","85.484","0.006","74.827","0.006","1576","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-{(4-Chlorophenyl)[2-(dimethylazaniumyl)ethoxy]methyl}pyridinium bis(2,4,6-trinitrophenolate)","","- C28 H25 Cl N8 O15 -","- C28 H25 Cl N8 O15 -","- C56 H50 Cl2 N16 O30 -","2","1","CV5423","Ramya, V.; Jasinski, Jerry P.; Shannon, James P.; Yathirajan, H. S.; Ravishankara, D. K.","Carbinoxaminium dipicrate","Acta Crystallographica Section E","2013","69","8","o1264","o1265","10.1107/S1600536813018886","","","1.54184","CuKα","","0.0609","0.05","","","0.1335","0.1446","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238332","6.4565","0.0011","17.625","0.003","27.997","0.004","90","","90","","90","","3185.9","0.9","200","2","200.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Isotenulin","","","- C17 H22 O5 -","- C17 H22 O5 -","- C136 H176 O40 -","8","2","CV5424","Knight, Kyle S.; Smith, Cole T.; Waddell, Thomas G.","Isotenulin","Acta Crystallographica Section E","2013","69","8","o1290","","10.1107/S1600536813019703","","","0.71073","MoKα","","0.0528","0.0428","","","0.0958","0.1002","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238333","7.1147","0.0009","8.3841","0.0009","12.9217","0.0013","90","","105.266","0.005","90","","743.59","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","4-Fluoro-N-[3,4,5-trimethoxybenzylidene]aniline","4-Fluoro-<i>N</i>-[(<i>E</i>)-3,4,5-trimethoxybenzylidene]aniline","","- C16 H16 F N O3 -","- C16 H16 F N O3 -","- C32 H32 F2 N2 O6 -","2","1","DS2233","Balachandar, R. K.; Kalainathan, S.; Eappen, Shibu M.; Podder, Jiban","4-Fluoro-<i>N</i>-[(<i>E</i>)-3,4,5-trimethoxybenzylidene]aniline","Acta Crystallographica Section E","2013","69","8","o1234","","10.1107/S1600536813017741","","","0.71073","MoKα","","0.0613","0.0401","","","0.1126","0.1282","","","","","","0.996","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238334","24.1921","0.0009","14.6474","0.0006","17.4681","0.0007","90","","115.28","","90","","5597.1","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')samarium(III)","","- C33 H23 N2 O6 Sm -","- C33 H23 N2 O6 Sm -","- C264 H184 N16 O48 Sm8 -","8","1","FF2109","Zhong, Yun; Yang, Jinbing; Hu, Ling","Tris(2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')samarium(III)","Acta Crystallographica Section E","2013","69","8","m430","","10.1107/S1600536813016139","","","0.71073","MoKα","","0.0207","0.0174","","","0.0459","0.0487","","","","","","1.09","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238335","12.5596","0.0004","7.587","0.0003","14.3433","0.0006","90","","94.66","0.002","90","","1362.25","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenylamino-3H-chromenedione","3-[1-(2-Hydroxyanilino)ethylidene]-3<i>H</i>-chromen-2,4-dione","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C68 H52 N4 O16 -","4","1","FF2111","Brahmia, Ameni; Ben Ayed, Taicir; Ben Hassen, Rached","3-[1-(2-Hydroxyanilino)ethylidene]-3<i>H</i>-chromen-2,4-dione","Acta Crystallographica Section E","2013","69","8","o1296","","10.1107/S160053681301934X","","","0.71073","MoKα","","0.1466","0.0579","","","0.1434","0.1941","","","","","","0.908","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238336","8.8712","0.0004","8.8712","0.0004","6.0246","0.0003","90","","90","","120","","410.6","0.03","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Pentazirconium copper tribismuth","","- Bi3 Cu Zr5 -","- Bi3 Cu Zr5 -","- Bi6 Cu2 Zr10 -","2","0.0833333","FF2112","Balinska, Agnieszka; Tarasiuk, Ivan; Pavlyuk, Volodymyr","Pentazirconium copper tribismuth","Acta Crystallographica Section E","2013","69","8","i51","","10.1107/S1600536813019235","","","0.71073","MoKα","","0.0236","0.0229","","","0.0412","0.0413","","","","","","0.868","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238337","25.8781","0.0016","9.782","0.0006","20.9904","0.0011","90","","121.292","0.0015","90","","4540.6","0.5","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-2,2'-[3-(4-Chlorophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","","- C25 H29 Cl O4 -","- C25 H29 Cl O4 -","- C200 H232 Cl8 O32 -","8","1","FF2113","Cha, Joo Hwan; Lee, Jae Kyun; Min, Sun-Joon; Cho, Yong Seo; Park, Junghwan","(<i>E</i>)-2,2'-[3-(4-Chlorophenyl)prop-2-ene-1,1-diyl]bis(3-hydroxy-5,5-dimethylcyclohex-2-en-1-one)","Acta Crystallographica Section E","2013","69","8","o1347","","10.1107/S1600536813020357","","","0.71075","MoKα","","","0.0447","","","","0.1352","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238338","10.0768","0.0007","12.0387","0.0008","7.7047","0.0006","90","","90","","90","","934.67","0.12","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(<i>Z</i>)-Ethyl 2-cyano-3-(1<i>H</i>-imidazol-2-yl)acrylate","","- C9 H9 N3 O2 -","- C9 H9 N3 O2 -","- C36 H36 N12 O8 -","4","1","FJ2635","Kalkhambkar, Rajesh G.; Kumar, Mahesh; Gayathri, D.; Oh, Jeongsu; Jeong, Yeon Tae","(<i>Z</i>)-Ethyl 2-cyano-3-(1<i>H</i>-imidazol-2-yl)acrylate","Acta Crystallographica Section E","2013","69","8","o1223","","10.1107/S1600536813018278","","","0.71073","MoKα","","0.059","0.0486","","","0.1302","0.145","","","","","","0.827","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238339","9.5538","0.0005","11.2638","0.0005","13.4079","0.0006","98.739","0.002","93.733","0.003","98.627","0.002","1404.25","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","5-Chloro-3-ethylsulfinyl-2-(3-fluorophenyl)-1-benzofuran","","- C16 H12 Cl F O2 S -","- C16.0028 H12 Cl F O2 S -","- C64.0112 H48 Cl4 F4 O8 S4 -","4","2","FJ2636","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Chloro-3-ethylsulfinyl-2-(3-fluorophenyl)-1-benzofuran","Acta Crystallographica Section E","2013","69","8","o1210","","10.1107/S1600536813018151","","","0.71073","MoKα","","0.0526","0.0376","","","0.094","0.1021","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238340","7.54","0.003","8.415","0.003","12.722","0.004","98.933","0.019","105.001","0.019","93.53","0.018","765.8","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(2-Bromophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","","- C17 H15 Br O2 S -","- C17 H15 Br O2 S -","- C34 H30 Br2 O4 S2 -","2","1","FJ2637","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(2-Bromophenylsulfinyl)-2,5,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2013","69","8","o1299","","10.1107/S1600536813019867","","","0.71073","MoKα","","0.0395","0.0327","","","0.0809","0.0848","","","","","","1.12","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238341","21.371","0.003","13.474","0.002","13.436","0.002","90","","99.018","0.009","90","","3821.1","1","110","0.5","110","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tris(4-formylphenyl)phosphane oxide tetrahydrofuran hemisolvate","","- C23 H19 O4.5 P -","- C23 H19 O4.5 P -","- C184 H152 O36 P8 -","8","1","FJ2638","Kakoullis, Jr, James; Fronczek, Frank R.; Maverick, Andrew W.","Tris(4-formylphenyl)phosphane oxide tetrahydrofuran hemisolvate","Acta Crystallographica Section E","2013","69","8","o1362","o1363","10.1107/S1600536813020059","","","0.71073","MoKα","","0.061","0.042","","","0.106","0.116","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2238342","6.6799","0.0007","7.3713","0.0009","32.9075","0.0014","90","","90","","90","","1620.4","0.3","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>S</i>)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5<i>H</i>)-one","","- C16 H16 Br N O4 -","- C16 H16 Br N O4 -","- C64 H64 Br4 N4 O16 -","4","1","FY2101","Wang, Yifeng; Yao, Minjie; Dong, Kun; Xu, Danqian","(2<i>S</i>,3<i>S</i>)-3-(3-Bromophenyl)-6,6-dimethyl-2-nitro-2,3,6,7-tetrahydrobenzofuran-4(5<i>H</i>)-one","Acta Crystallographica Section E","2013","69","8","o1270","","10.1107/S160053681301920X","","","0.71073","MoKα","","0.0949","0.0509","","","0.0888","0.1075","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238343","5.6882","0.0003","18.4086","0.0009","14.4668","0.001","90","","91.272","0.008","90","","1514.47","0.15","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","5-Bromoisatin-3-(4-phenyl)thiosemicarbazone","1-(5-Bromo-2-oxoindolin-3-ylidene)-4-phenylthiosemicarbazide","","- C15 H11 Br N4 O S -","- C15 H11 Br N4 O S -","- C60 H44 Br4 N16 O4 S4 -","4","1","FY2102","Bandeira, Katlen C. T.; Bresolin, Leandro; Näther, Christian; Jess, Inke; de Oliveira, Adriano Bof","1-(5-Bromo-2-oxoindolin-3-ylidene)-4-phenylthiosemicarbazide","Acta Crystallographica Section E","2013","69","8","o1337","o1338","10.1107/S1600536813020497","","","0.71073","MoKα","","0.0627","0.0457","","","0.0979","0.1053","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238344","8.967","0.003","15.367","0.005","15.96","0.002","69.21","0.017","75.653","0.016","76.52","0.03","1966.2","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","5-(4-Chlorophenyl)-7-(4-methylphenyl)-4-(pyrrolidin-1-yl)-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine","","- C23 H21 Cl N4 -","- C23 H21 Cl N4 -","- C92 H84 Cl4 N16 -","4","2","GG2114","Patel, Urmila H.; Modh, Rajesh D.; Shah, Dhaval A.","5-(4-Chlorophenyl)-7-(4-methylphenyl)-4-(pyrrolidin-1-yl)-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidine","Acta Crystallographica Section E","2013","69","8","o1286","o1287","10.1107/S1600536813019168","","","0.71073","MoKα","","0.1223","0.0418","","","0.0991","0.1249","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238345","9.1634","0.0018","17.57","0.003","10.717","0.004","90","","117.89","0.02","90","","1525","0.7","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(Diphenylmethylidene)-2,3-dihydro-1<i>H</i>-inden-1-one","","- C22 H16 O -","- C22 H16 O -","- C88 H64 O4 -","4","1","GG2117","Zhang, Tao; Bandero, Vilmar; McCabe, Tom; Frankish, Neil; Sheridan, Helen","2-(Diphenylmethylidene)-2,3-dihydro-1<i>H</i>-inden-1-one","Acta Crystallographica Section E","2013","69","8","o1306","o1307","10.1107/S1600536813018990","","","0.71073","MoKα","","0.0734","0.0701","","","0.1437","0.1452","","","","","","1.254","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238346","7.5207","0.0008","13.8672","0.0015","21.816","0.002","90","","95.449","0.002","90","","2264.9","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3-{5-Bromo-2-[(triphenylphosphanylidene)amino]phenyl}-4,5-dihydro-1,2,3-oxadiazol-3-ylium-5-olate","","- C26 H19 Br N3 O2 P -","- C26 H19 Br N3 O2 P -","- C104 H76 Br4 N12 O8 P4 -","4","1","GG2120","Grossie, David; Harrison, Leanna; Turnbull, Kenneth","3-{5-Bromo-2-[(triphenylphosphanylidene)amino]phenyl}-4,5-dihydro-1,2,3-oxadiazol-3-ylium-5-olate","Acta Crystallographica Section E","2013","69","8","o1196","","10.1107/S1600536813017765","","","0.71073","MoKα","","0.037","0.029","","0.0736","0.0711","0.0736","","","","","","0.9188","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238347","10.102","0.002","13.925","0.003","14.764","0.002","90","","105.27","0.01","90","","2003.5","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{2-[2,2-Bis(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl-\ κ<i>N</i>)propyl]pyridine}dichloridoiron(II)","","- C18 H25 Cl2 Fe N3 O2 -","- C18 H25 Cl2 Fe N3 O2 -","- C72 H100 Cl8 Fe4 N12 O8 -","4","1","GG2121","Roviello, Giuseppina; Tuzi, Angela; Capacchione, Carmine; Milione, Stefano; Ferone, Claudio","{2-[2,2-Bis(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl-κ<i>N</i>)propyl]pyridine}dichloridoiron(II)","Acta Crystallographica Section E","2013","69","8","m433","m434","10.1107/S1600536813018047","","","0.71073","MoKα","","0.085","0.0406","","","0.0709","0.0826","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238348","8.5907","0.0001","5.1716","0.0001","20.0375","0.0003","90","","94.23","0.001","90","","887.79","0.02","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Quinolinesulfonamide","","","- C9 H8 N2 O2 S -","- C9 H8 N2 O2 S -","- C36 H32 N8 O8 S4 -","4","1","GK2577","Marciniec, Krzysztof; Maślankiewicz, Andrzej; Kusz, Joachim; Nowak, Maria","Quinoline-2-sulfonamide","Acta Crystallographica Section E","2013","69","8","o1357","o1358","10.1107/S160053681302062X","","","0.71073","MoKα","","0.0299","0.0296","","","0.0722","0.0724","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238349","12.336","0.005","8.666","0.004","7.052","0.007","90","","104.19","0.05","90","","730.9","0.9","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Hydroxyisoquinoline-1,3(2<i>H</i>,4<i>H</i>)-dione","","- C9 H7 N O3 -","- C9 H7 N O3 -","- C36 H28 N4 O12 -","4","1","GK2583","Ishikawa, Yoshinobu; Matsuo, Soichiro","2-Hydroxyisoquinoline-1,3(2<i>H</i>,4<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","8","o1312","","10.1107/S1600536813019843","","","0.71069","MoKα","","","0.0322","","","","0.0886","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238350","14.902","0.005","11.314","0.005","12.479","0.005","90","","94.644","0.005","90","","2097.1","1.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>-Diethyl-4-[1-phenyl-3-(pyridin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]aniline","","- C24 H26 N4 -","- C24 H26 N4 -","- C96 H104 N16 -","4","1","GK2584","Zhu, Ying-Zhong; Wang, Hui; Sun, Ping-Ping; Tian, Yu-Peng","<i>N</i>,<i>N</i>-Diethyl-4-[1-phenyl-3-(pyridin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-5-yl]aniline","Acta Crystallographica Section E","2013","69","8","o1316","","10.1107/S1600536813019879","","","0.71069","MoKα","","0.0986","0.0732","","","0.2137","0.2414","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238351","12.7906","0.0015","8.0149","0.001","16.644","0.002","90","","108.305","0.001","90","","1619.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[6-(3,5-Dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]guanidin-2-ium perchlorate methanol monosolvate","","- C9 H16 Cl N9 O5 -","- C9 H16 Cl N9 O5 -","- C36 H64 Cl4 N36 O20 -","4","1","GK2585","Hu, Yong-Peng; Yan, Biao; Li, Jie; Ma, Hai-Xia","1-[6-(3,5-Dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]guanidin-2-ium perchlorate methanol monosolvate","Acta Crystallographica Section E","2013","69","8","o1332","","10.1107/S1600536813020448","","","0.71073","MoKα","","0.0457","0.0382","","","0.1068","0.1125","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238352","10.4777","0.0001","12.4283","0.0002","13.155","0.0002","90","","90","","90","","1713.04","0.04","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>-<i>tert</i>-Butoxycarbonyl-α-(2-fluorobenzyl)-<i>L</i>-proline","","- C17 H22 F N O4 -","- C17 H22 F N O4 -","- C68 H88 F4 N4 O16 -","4","1","GK2586","Rajalakshmi, P.; Srinivasan, N.; Krishnakumar, R. V.; Razak, Ibrahim Abdul; Rosli, Mohd Mustaqim","<i>N</i>-<i>tert</i>-Butoxycarbonyl-α-(2-fluorobenzyl)-<small>L</small>-proline","Acta Crystallographica Section E","2013","69","8","o1297","","10.1107/S1600536813019788","","","0.71073","MoKα","","0.0717","0.0502","","","0.1036","0.1138","","","","","","1.056","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238353","11.3956","0.0007","20.1346","0.0012","14.386","0.0008","90","","103.153","0.001","90","","3214.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1''-Allyl-5''-(4-methoxybenzylidene)-7'-(4-methoxyphenyl)-1',3',5',6',7',7a'-hexahydrodispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''-piperidine]-2,4''(1<i>H</i>)-dione","","- C39 H36 N2 O4 S -","- C39 H36 N2 O4 S -","- C156 H144 N8 O16 S4 -","4","1","GW2135","Almansour, Abulrahman I.; Suresh Kumar, Raju; Arumugam, Natarajan; Nagalakshmi, R. A.; Suresh, J.","1''-Allyl-5''-(4-methoxybenzylidene)-7'-(4-methoxyphenyl)-1',3',5',6',7',7a'-hexahydrodispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''-piperidine]-2,4''(1<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","8","o1345","o1346","10.1107/S1600536813020084","","","0.71073","MoKα","","0.048","0.037","","","0.0968","0.1039","","","","","","1.073","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238354","13.8159","0.0003","13.8159","0.0003","13.5221","0.0006","90","","90","","90","","2581.09","0.14","123","2","123","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","2-(10',10'-Dimethyl-3'-sulfanylidene-4'-azatricyclo[5.2.1.0^1,5^]decan-2'-yl)-10,10-dimethyl-4-azatricyclo[5.2.1.0^1,5^]decane-3-thione","","- C28 H40 N2 O2 S2 -","- C28 H40 N2 O2 S2 -","- C112 H160 N8 O8 S8 -","4","0.5","GW2136","Walker, Ashley; Forsyth, Craig M.; Perlmutter, Patrick","2-(10',10'-Dimethyl-3'-sulfanylidene-4'-azatricyclo[5.2.1.0^1,5^]decan-2'-yl)-10,10-dimethyl-4-azatricyclo[5.2.1.0^1,5^]decane-3-thione","Acta Crystallographica Section E","2013","69","8","o1282","","10.1107/S1600536813019211","","","0.71073","MoKα","","0.0528","0.0492","","","0.0981","0.0996","","","","","","1.193","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238355","11.124","0.0005","12.6825","0.0005","25.8778","0.0011","89.823","0.004","81.185","0.002","88.305","0.003","3606.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5''-(4-Nitrobenzylidene)-7'-(4-nitrophenyl)-1''-methyl-1',3',5',6',7',7a'-hexahydrodispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''-piperidine]-2,4''(1<i>H</i>)-dione including an unknown solvate","","- C35 H28 N4 O6 S -","- C35 H28 N4 O6 S -","- C140 H112 N16 O24 S4 -","4","2","HB7098","Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith.; Lakshman, P. L. Nilantha","5''-(4-Nitrobenzylidene)-7'-(4-nitrophenyl)-1''-methyl-1',3',5',6',7',7a'-hexahydrodispiro[acenaphthylene-1,5'-pyrrolo[1,2-<i>c</i>][1,3]thiazole-6',3''-piperidine]-2,4''(1<i>H</i>)-dione including an unknown solvate","Acta Crystallographica Section E","2013","69","8","o1208","o1209","10.1107/S1600536813017704","","","0.71073","MoKα","","0.0905","0.0499","","","0.1302","0.1429","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238356","8.0273","0.0013","15.048","0.002","13.686","0.002","90","","101.546","0.003","90","","1619.7","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-2,4,5-trimethoxybenzylidene]hydrazine","","- C16 H16 N4 O7 -","- C16 H16 N4 O7 -","- C64 H64 N16 O28 -","4","1","HB7102","Fun, Hoong-Kun; Chantrapromma, Suchada; Nilwanna, Boonlerd; Kobkeatthawin, Thawanrat; Boonnak, Nawong","1-(2,4-Dinitrophenyl)-2-[(<i>E</i>)-2,4,5-trimethoxybenzylidene]hydrazine","Acta Crystallographica Section E","2013","69","8","o1203","o1204","10.1107/S1600536813018345","","","0.71073","MoKα","","0.1277","0.0551","","","0.1117","0.1437","","","","","","1.007","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238357","9.8","0.001","8.468","0.001","28.637","0.002","90","","94.14","0.01","90","","2370.3","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Heptasodium trialuminium tetrakis(diarsenate)","","- Al3 As8 Na7 O28 -","- Al3 As8 Na7 O28 -","- Al12 As32 Na28 O112 -","4","0.5","HB7105","Fakhar Bourguiba, Noura; Driss, Ahmed","Na~7~Al~3~(As~2~O~7~)~4~","Acta Crystallographica Section E","2013","69","8","i53","","10.1107/S1600536813020151","","","0.71073","MoKα","","0.0496","0.0336","","","0.0791","0.0845","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238358","10.1474","0.0015","8.6979","0.0013","18.073","0.003","90","","90","","90","","1595.1","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Cyanoanilinium iodide","","- C7 H7 I N2 -","- C7 H7 I N2 -","- C56 H56 I8 N16 -","8","1","HB7106","Vumbaco, David J.; Kammer, Michael N.; Koplitz, Lynn V.; Mague, Joel T.","2-Cyanoanilinium iodide","Acta Crystallographica Section E","2013","69","8","o1288","","10.1107/S1600536813019314","","","0.71073","MoKα","","0.0168","0.0162","","","0.0402","0.0408","","","","","","1.1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238359","13.1605","0.0003","10.4876","0.0002","14.8786","0.0003","90","","106.354","0.002","90","","1970.49","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2<i>E</i>)-3-(6-Chloro-2-methoxyquinolin-3-yl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one","","- C24 H19 Cl N2 O2 -","- C24 H19 Cl N2 O2 -","- C96 H76 Cl4 N8 O8 -","4","1","HB7107","Prasath, R.; Sarveswari, S.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-3-(6-Chloro-2-methoxyquinolin-3-yl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","8","o1274","","10.1107/S1600536813019399","","","1.54184","CuKα","","0.0492","0.0443","","","0.122","0.1265","","","","","","1.066","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238360","7.415","0.0005","9.9045","0.0006","14.0696","0.0009","71.072","0.005","88.427","0.005","72.552","0.005","929.66","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-3-(2-Chloro-8-methylquinolin-3-yl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one","","- C24 H19 Cl N2 O -","- C24 H19 Cl N2 O -","- C48 H38 Cl2 N4 O2 -","2","1","HB7108","Prasath, R.; Sarveswari, S.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-3-(2-Chloro-8-methylquinolin-3-yl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","8","o1275","","10.1107/S1600536813019405","","","1.54184","CuKα","","0.0366","0.0348","","","0.0939","0.0953","","","","","","1.037","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238361","22.1215","0.0005","10.862","0.0002","11.3215","0.0002","90","","98.879","0.002","90","","2687.77","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Flunarizinium hydrogen maleate","4-[Bis(4-fluorophenyl)methyl]-1-[(2<i>E</i>)-3-phenylprop-2-en-1-yl]piperazin-1-ium hydrogen maleate","","- C30 H30 F2 N2 O4 -","- C30 H30 F2 N2 O4 -","- C120 H120 F8 N8 O16 -","4","1","HB7110","Kavitha, Channappa N.; Jasinski, Jerry P.; Matar, Somer M.; Yathirajan, H. S.; Ramesha, A. R.","Flunarizinium hydrogen maleate","Acta Crystallographica Section E","2013","69","8","o1344","","10.1107/S1600536813020291","","","1.5418","CuKα","","0.0556","0.0479","","","0.1288","0.136","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238362","8.1717","0.001","8.3117","0.001","14.6841","0.0015","93.119","0.009","98.369","0.01","118.043","0.012","862.2","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-Butanoyl-<i>N</i>-(3-chloro-1,4-dioxonaphthalen-2-yl)butanamide","","- C18 H18 Cl N O4 -","- C18 H18 Cl N O4 -","- C36 H36 Cl2 N2 O8 -","2","1","HG5322","Butcher, Ray J.; Berhe, Solomon; Anderson, Alan J.; Bakare, Oladapo","<i>N</i>-Butanoyl-<i>N</i>-(3-chloro-1,4-dioxonaphthalen-2-yl)butanamide","Acta Crystallographica Section E","2013","69","8","o1230","","10.1107/S1600536813016401","","","1.54178","CuKα","","0.1143","0.0767","","","0.2003","0.2265","","","","","","1.117","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238363","9.1688","0.0004","10.08","0.0004","11.4141","0.0006","98.826","0.002","108.777","0.002","110.403","0.004","893.17","0.08","295","","295","","","","","","","","","4","P -1","-P 1","2","","2-[1'-(Benzyloxy)spiro[indane-1,2'-pyrrolidine]-5'-yl]acetonitrile","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C42 H44 N4 O2 -","2","1","HG5325","Moreno-Fuquen, Rodolfo; Soto, Diana M.; Jaramillo-Gómez, Luz M.; Ellena, Javier; Tenorio, Juan C.","2-[1'-(Benzyloxy)spiro[indane-1,2'-pyrrolidine]-5'-yl]acetonitrile","Acta Crystallographica Section E","2013","69","8","o1192","o1193","10.1107/S1600536813017674","","","0.71073","MoKα","","0.0922","0.0593","","","0.1661","0.1912","","","","","","1.046","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238364","7.5731","0.0005","10.1861","0.0005","10.3636","0.0006","94.945","0.004","96.581","0.005","110.974","0.005","734.56","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-<i>N</i>-(3-methoxybenzoyl)benzenesulfonamide","","- C14 H12 Cl N O4 S -","- C14 H12 Cl N O4 S -","- C28 H24 Cl2 N2 O8 S2 -","2","1","HG5328","Suchetan, P. A.; Palakshamurthy, B. S.; Mamatha, G. R.; Kumar, Vijith; Mohan, N. R.; Sreenivasa, S.","2-Chloro-<i>N</i>-(3-methoxybenzoyl)benzenesulfonamide","Acta Crystallographica Section E","2013","69","8","o1215","","10.1107/S1600536813018291","","","0.71073","MoKα","","0.0466","0.0366","","","0.0925","0.101","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238365","10.9881","0.0008","9.1468","0.0006","12.5575","0.0009","90","","109.4","0.008","90","","1190.44","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]-<i>N</i>-methylhydrazinecarbothioamide","","- C11 H15 N3 O2 S -","- C11 H15 N3 O2 S -","- C44 H60 N12 O8 S4 -","4","1","HG5331","Anderson, Brian J.; Freedman, Michael B.; Millikan, Sean P.; Jasinski, Jerry P.","2-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]-<i>N</i>-methylhydrazinecarbothioamide","Acta Crystallographica Section E","2013","69","8","o1315","","10.1107/S1600536813019831","","","0.7107","MoKα","","0.0899","0.0755","","","0.2205","0.2305","","","","","","1.156","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238366","7.1647","0.0008","15.5586","0.0019","11.3201","0.0013","90","","96.026","0.007","90","","1254.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxymethyl-1,3-dimethyl-1<i>H</i>-imidazol-3-ium triiodide","","- C6 H11 I3 N2 O -","- C6 H11 I3 N2 O -","- C24 H44 I12 N8 O4 -","4","1","HG5333","Said, Mohamed El Hadi; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali; Chibani, Aissa","2-Hydroxymethyl-1,3-dimethyl-1<i>H</i>-imidazol-3-ium triiodide","Acta Crystallographica Section E","2013","69","8","o1340","o1341","10.1107/S1600536813020266","","","0.71073","MoKα","","0.0165","0.015","","","0.0336","0.034","","","","","","1.153","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238367","17.1714","0.0003","10.7099","0.0002","14.5248","0.0002","90","","100.021","0.002","90","","2630.42","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-3-(6-Chloro-2-methoxyquinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one acetone monosolvate","","- C32 H27 Cl N2 O3 -","- C32 H27 Cl N2 O3 -","- C128 H108 Cl4 N8 O12 -","4","1","HG5334","Prasath, R.; Sarveswari, S.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-3-(6-Chloro-2-methoxyquinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one acetone monosolvate","Acta Crystallographica Section E","2013","69","8","o1319","","10.1107/S1600536813020217","","","1.54184","CuKα","","0.0675","0.0581","","","0.1558","0.1666","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238368","10.9837","0.0002","21.0604","0.0003","9.3927","0.0001","90","","90.009","0.001","90","","2172.73","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2<i>E</i>)-3-(2-Chloro-8-methylquinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one","","- C29 H21 Cl N2 O -","- C29 H21 Cl N2 O -","- C116 H84 Cl4 N8 O4 -","4","1","HG5335","Prasath, R.; Sarveswari, S.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-3-(2-Chloro-8-methylquinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","8","o1318","","10.1107/S1600536813020229","","","1.54184","CuKα","","0.0388","0.0343","","","0.0887","0.0925","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238369","15.551","0.007","17.022","0.007","20.865","0.009","90","","90","","90","","5523","4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(η^5^-pentamethylcyclopentadienyl)barium","","- C30 H38 Ba N2 -","- C30 H38 Ba N2 -","- C240 H304 Ba8 N16 -","8","1","HP2057","Kazhdan, Daniel; Rozenel, Sergio S.","(2,2'-Bipyridyl-κ^2^<i>N</i>,<i>N</i>')bis(η^5^-pentamethylcyclopentadienyl)barium","Acta Crystallographica Section E","2013","69","8","m429","","10.1107/S1600536813017170","","","0.71073","MoKα","","0.0386","0.0275","","","0.065","0.0708","","","","","","1.067","","","","has coordinates,has Fobs","192353","2020-10-21","18:00:00",""
"2238370","7.4505","0.0013","12.793","0.002","17.745","0.003","78.664","0.002","86.558","0.002","80.344","0.002","1634.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(1-ethyl-4,4'-bipyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","","- C32 H26 N8 Ni S4 -","- C32 H26 N8 Ni S4 -","- C64 H52 N16 Ni2 S8 -","2","1","HY2630","Chen, Yao; Ning, Wei-hua; Liu, Jian-Lan","Bis(1-ethyl-4,4'-bipyridin-1-ium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(II)","Acta Crystallographica Section E","2013","69","8","m428","","10.1107/S1600536813015493","","","0.71073","MoKα","","0.1348","0.051","","","0.0968","0.1279","","","","","","0.965","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238371","10.217","0.0003","11.119","0.0004","11.8243","0.0003","104.384","0.003","105.912","0.003","108.096","0.003","1143.23","0.08","180","2","180","2","","","","","","","","5","P -1","-P 1","2","(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)zinc (18-crown-6)","(5,10,15,20-Tetraphenylporphyrinato-κ^4^<i>N</i>)zinc‒18-crown-6 (1/1)","","- C56 H52 N4 O6 Zn -","- C56 H52 N4 O6 Zn -","- C56 H52 N4 O6 Zn -","1","0.5","HY2633","Denden, Zouhour; Bel Haj Hassen, Leila; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib","(5,10,15,20-Tetraphenylporphyrinato-κ^4^<i>N</i>)zinc‒18-crown-6 (1/1)","Acta Crystallographica Section E","2013","69","8","m444","m445","10.1107/S1600536813018126","","","0.71073","MoKα","","0.046","0.0388","","","0.1052","0.1079","","","","","","1.065","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238372","12.6577","0.0007","12.6577","0.0007","16.8174","0.0018","90","","90","","120","","2333.5","0.3","296","2","296","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","Bis(1,3-dimethyl-1<i>H</i>-imidazolium) hexafluorosilicate methanol 0.33-solvate","","- C31 H58 F18 N12 O Si3 -","- C31 H58 F18 N12 O Si3 -","- C62 H116 F36 N24 O2 Si6 -","2","0.0833333","IM2435","Tian, Chong; Nie, Wanli; Borzov, Maxim V.","Bis(1,3-dimethyl-1<i>H</i>-imidazolium) hexafluorosilicate methanol 0.33-solvate","Acta Crystallographica Section E","2013","69","8","o1216","o1217","10.1107/S1600536813018230","","","0.71073","MoKα","","0.0505","0.0356","","","0.0922","0.0976","","","","","","1.096","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238373","20.0318","0.0004","10.2866","0.0002","9.5351","0.0002","90","","90","","90","","1964.79","0.07","100","1","100","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","2,2-Diphenyl-<i>N</i>-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide","","- C22 H17 F3 N2 O S -","- C22 H17 F3 N2 O S -","- C88 H68 F12 N8 O4 S4 -","4","1","IS5283","Yusof, Mohd Sukeri Mohd; Razali, Nur Rafikah; Arshad, Suhana; Rahman, Azhar Abdul; Razak, Ibrahim Abdul","2,2-Diphenyl-<i>N</i>-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide","Acta Crystallographica Section E","2013","69","8","o1255","o1256","10.1107/S1600536813018680","","","0.71073","MoKα","","0.0597","0.0436","","","0.0739","0.0811","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238374","15.888","0.004","12.689","0.003","17.143","0.005","90","","100.28","0.05","90","","3400.6","1.6","203","2","203","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Bis[2-(1,3-benzothiazol-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>][1,3-bis(4-bromophenyl)propane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']iridium(III)","","- C41 H25 Br2 Ir N2 O2 S2 -","- C41 H25 Br2 Ir N2 O2 S2 -","- C164 H100 Br8 Ir4 N8 O8 S8 -","4","0.5","IS5287","Kim, Young-Inn; Yun, Seong-Jae; Kang, Sung Kwon","Bis[2-(1,3-benzothiazol-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>][1,3-bis(4-bromophenyl)propane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>']iridium(III)","Acta Crystallographica Section E","2013","69","8","m443","","10.1107/S1600536813018394","","","0.71073","MoKα","","0.0385","0.0303","","","","0.0761","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238375","13.0887","0.0006","14.0869","0.0007","13.3521","0.0007","90","","113.524","0.002","90","","2257.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 3'-benzyl-4'-(2-chlorophenyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","","- C27 H25 Cl N2 O3 -","- C27 H25 Cl N2 O3 -","- C108 H100 Cl4 N8 O12 -","4","1","IS5288","Anuradha, T.; Devaraj, A.; Seshadri, P. R.; Bakthadoss, M.","Methyl 3'-benzyl-4'-(2-chlorophenyl)-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2013","69","8","o1214","","10.1107/S1600536813018424","","","0.71073","MoKα","","0.068","0.0439","","","0.1078","0.1221","","","","","","0.981","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238376","6.3558","0.0004","21.2388","0.0014","10.9252","0.0009","90","","95.753","0.002","90","","1467.36","0.18","200","","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-3,5-bis(pyridin-2-yl)pyrazolato]bis[(hexafluorophosphato)copper(II)]","","- C26 H18 Cu2 F12 N8 P2 -","- C26 H18 Cu2 F12 N8 P2 -","- C52 H36 Cu4 F24 N16 P4 -","2","0.5","IS5289","Mishima, Akio; Katsuta, Nagisa; Furusyou, Midori; Fuyuhiro, Akira; Kawata, Satoshi","Bis[μ-3,5-bis(pyridin-2-yl)pyrazolato]bis[(hexafluorophosphato)copper(II)]","Acta Crystallographica Section E","2013","69","8","m455","m456","10.1107/S1600536813018813","","","0.71075","MoKα","","","0.0271","","","","0.0739","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238377","3.9904","0.0011","15.689","0.004","24.58","0.007","90","","90","","90","","1538.8","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(E)-1-((2,4,6-tribromophenyl)diazenyl)naphthalen-2-ol.","(<i>E</i>)-1-[(2,4,6-Tribromophenyl)diazenyl]naphthalen-2-ol","","- C16 H9 Br3 N2 O -","- C16 H9 Br3 N2 O -","- C64 H36 Br12 N8 O4 -","4","1","IS5290","Chetioui, Souheyla; Boudraa, Issam; Bouacida, Sofiane; Bouchoul, Abdelkader; Bouaoud, Salah Eddine","(<i>E</i>)-1-[(2,4,6-Tribromophenyl)diazenyl]naphthalen-2-ol","Acta Crystallographica Section E","2013","69","8","o1250","","10.1107/S1600536813018977","","","0.71073","MoKα","","0.0568","0.0338","","","0.0609","0.0663","","","","","","0.962","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238378","13.3276","0.0009","11.6435","0.0007","11.9965","0.0009","90","","111.8","0.003","90","","1728.5","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[(2-Formylphenoxy)methyl]-3-(4-isopropylphenyl)acrylonitrile","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","IS5291","Kanchanadevi, J.; Anbalagan, G.; Selvakumar, R.; Bakthadoss, M.; Gunasekaran, B.; Manivannan, V.","(<i>E</i>)-2-[(2-Formylphenoxy)methyl]-3-(4-isopropylphenyl)acrylonitrile","Acta Crystallographica Section E","2013","69","8","o1354","","10.1107/S1600536813020618","","","0.71073","MoKα","","0.0994","0.0559","","","0.1504","0.1789","","","","","","1.088","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238379","5.6616","0.0001","7.8407","0.0002","11.7631","0.0003","97.169","0.002","94.992","0.003","101.39","0.002","504.53","0.02","296","2","296","2","","","","","","","","5","P -1","-P 1","2","1-Benzoyl-4-thiobiuret","{[(Phenylformamido)carbonyl]amino}methanethioamide","","- C9 H9 N3 O2 S -","- C9 H9 N3 O2 S -","- C18 H18 N6 O4 S2 -","2","1","IS5292","Kang, Sung Kwon","1-Benzoyl-4-thiobiuret","Acta Crystallographica Section E","2013","69","8","o1327","","10.1107/S1600536813019983","","","0.71073","MoKα","","0.0711","0.0371","","","","0.0974","","","","","","0.873","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238380","15.3593","0.0006","3.8699","0.0002","23.4189","0.0009","90","","106.33","0.001","90","","1335.84","0.1","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-bromo-5-fluorobenzaldehyde","2-Bromo-5-fluorobenzaldehyde","","- C7 H4 Br F O -","- C7 H4 Br F O -","- C56 H32 Br8 F8 O8 -","8","2","JJ2171","Tureski, Robert E.; Tanski, Joseph M.","2-Bromo-5-fluorobenzaldehyde","Acta Crystallographica Section E","2013","69","8","o1246","","10.1107/S1600536813018783","","","0.71073","MoKα","","0.0343","0.0268","","","0.0647","0.0679","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238381","5.681","0.0003","16.036","0.002","16.2954","0.0018","68.94","0.012","88.914","0.006","88.486","0.007","1384.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2<i>H</i>-chromene-3-carboxylate","","- C31 H27 F3 O7 -","- C31 H27 F3 O7 -","- C62 H54 F6 O14 -","2","1","KJ2229","Devarajegowda, H. C.; Palakshamurthy, B. S.; Harishkumar, H. N.; Suchetan, P. A.; Sreenivasa, S.","4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2013","69","8","o1355","o1356","10.1107/S1600536813020679","","","0.71073","MoKα","","0.1429","0.1044","","","0.2655","0.3162","","","","","","0.993","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238382","9.5775","0.0003","10.8224","0.0003","14.1445","0.0004","96.787","0.002","109.701","0.001","91.324","0.002","1367.5","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","3-Hydroxyanilinium <i>p</i>-toluenesulfonate","","- C13 H15 N O4 S -","- C13 H15 N O4 S -","- C52 H60 N4 O16 S4 -","4","2","KP2454","Bincy, Impichira Pykkat; Gopalakrishnan, Rengasamy","3-Hydroxyanilinium <i>p</i>-toluenesulfonate","Acta Crystallographica Section E","2013","69","8","o1277","","10.1107/S1600536813018692","","","0.71073","MoKα","","0.056","0.0402","","","0.11","0.1217","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238383","7.2817","0.0015","6.9635","0.0014","15.186","0.003","90","","90","","90","","770","0.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Triaqua(pyrazole-4-carboxylato-κ<i>N</i>^1^)lithium","","- C4 H9 Li N2 O5 -","- C4 H9 Li N2 O5 -","- C16 H36 Li4 N8 O20 -","4","1","KP2455","Starosta, Wojciech; Leciejewicz, Janusz","Triaqua(pyrazole-4-carboxylato-κ<i>N</i>^1^)lithium","Acta Crystallographica Section E","2013","69","8","m438","","10.1107/S160053681301831X","","","0.71073","MoKα","","0.0615","0.0424","","","0.1088","0.119","","","","","","1.009","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238384","9.574","0.002","9.904","0.003","10.513","0.003","74.215","0.007","67.172","0.007","70.346","0.007","853.7","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","2-Diphenylphosphanyl-1-methyl-1<i>H</i>-benzimidazole","","- C20 H18 N2 P -","- C20 H18 N2 P -","- C40 H36 N4 P2 -","2","1","KP2457","Jenkins, Darkus E.; Assefa, Zerihun","2-Diphenylphosphanyl-1-methyl-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2013","69","8","o1364","","10.1107/S1600536813020588","","","0.71073","MoKα","","0.0481","0.0404","","","0.1111","0.1177","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238385","8.05","0.002","15.762","0.004","16.073","0.004","90","","102.852","0.008","90","","1988.3","0.9","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(furan-2-yl)phosphane-κ<i>P</i>]molybdenum(II)","","- C21 H17 Mo O6 P -","- C21 H17 Mo O6 P -","- C84 H68 Mo4 O24 P4 -","4","1","KQ2007","Whited, Matthew T.; Bakker-Arkema, Julia G.; Greenwald, Julia E.; Morrill, Lucas A.; Janzen, Daron E.","<i>trans</i>-Acetyldicarbonyl(η^5^-cyclopentadienyl)[tris(furan-2-yl)phosphane-κ<i>P</i>]molybdenum(II)","Acta Crystallographica Section E","2013","69","8","m475","m476","10.1107/S160053681302059X","","","0.71075","MoKα","","","0.0347","","","","0.075","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238386","13.211","0.001","13.211","0.001","19.555","0.003","90","","90","","120","","2955.7","0.6","291","2","291","2","","","","","","","","6","P 32","P 32","145","","7-Benzyl-3-methyl-6-phenylimidazo[2,1-<i>b</i>][1,3]thiazol-7-ium chloride 0.75-hydrate","","- C19 H18.5 Cl N2 O0.75 S -","- C19 H18.5 Cl N2 O0.75 S -","- C114 H111 Cl6 N12 O4.5 S6 -","6","2","LD2101","Guo-Li, Huang; Bo, Liu; Jun-Feng, Kou","7-Benzyl-3-methyl-6-phenylimidazo[2,1-<i>b</i>][1,3]thiazol-7-ium chloride 0.75-hydrate","Acta Crystallographica Section E","2013","69","8","o1247","o1248","10.1107/S1600536813018795","","","0.71073","MoKα","","0.076","0.0595","","","0.1194","0.1229","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238387","11.451","0.002","13.496","0.002","20.815","0.003","90","","96.206","0.009","90","","3198","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1'-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-1''-(prop-2-en-1-yl)-2',3',5',6',7',7a'-hexahydro-1'<i>H</i>-dispiro[1-benzopyran-3,2'-pyrrolizine-3',3''-indoline]-2'',4-dione 0.75-hydrate","","- C40 H35.5 N4 O3.75 -","- C40 H35.5 N4 O3.75 -","- C160 H142 N16 O15 -","4","1","LD2105","Jagadeesan, G.; Kathirvelan, D.; Haribabu, J.; Reddy, B. S. R.; Sethusankar, K.","1'-(1,3-Diphenyl-1<i>H</i>-pyrazol-4-yl)-1''-(prop-2-en-1-yl)-2',3',5',6',7',7a'-hexahydro-1'<i>H</i>-dispiro[1-benzopyran-3,2'-pyrrolizine-3',3''-indoline]-2'',4-dione 0.75-hydrate","Acta Crystallographica Section E","2013","69","8","o1194","o1195","10.1107/S160053681301773X","","","0.71073","MoKα","","0.0868","0.0513","","","0.1298","0.1527","","","","","","1.024","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238388","8.224","0.0008","9.7901","0.0009","8.7753","0.0009","90","","90.106","0.001","90","","706.53","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(1,3-dimethyl-1<i>H</i>-imidazolium) hexafluorosilicate","","- C10 H18 F6 N4 Si -","- C10 H18 F6 N4 Si -","- C20 H36 F12 N8 Si2 -","2","0.5","LD2107","Tian, Chong; Nie, Wanli; Borzov, Maxim V.","Bis(1,3-dimethyl-1<i>H</i>-imidazolium) hexafluorosilicate: the second monoclinic polymorph","Acta Crystallographica Section E","2013","69","8","o1218","o1219","10.1107/S1600536813018242","","","0.71073","MoKα","","0.0309","0.0275","","","0.0788","0.0811","","","","","","1.094","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238389","26.572","0.016","12.194","0.005","11.213","0.006","90","","96.03","0.05","90","","3613","3","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ethyl (<i>Z</i>)-4'-(4-ethoxy-1-hydroxy-3,4-dioxobut-1-en-1-yl)-[1,1'-biphenyl]-3-carboxylate","","- C21 H20 O6 -","- C21 H20 O6 -","- C168 H160 O48 -","8","1","LD2109","Ishikawa, Yoshinobu; Ugai, Atsushi","Ethyl (<i>Z</i>)-4'-(4-ethoxy-1-hydroxy-3,4-dioxobut-1-en-1-yl)-[1,1'-biphenyl]-3-carboxylate","Acta Crystallographica Section E","2013","69","8","o1231","","10.1107/S1600536813018503","","","0.71069","MoKα","","","0.0402","","","","0.1036","","","","","","1.008","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238390","5.4633","0.0004","10.4173","0.0008","20.2426","0.0015","90","","97.308","0.001","90","","1142.71","0.15","125","2","125","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-Benzyl(1-phenylethylidene)amine","","- C15 H15 N -","- C15 H15 N -","- C60 H60 N4 -","4","1","LD2110","Majer, Sean H.; Tanski, Joseph M.","(<i>E</i>)-Benzyl(1-phenylethylidene)amine","Acta Crystallographica Section E","2013","69","8","o1289","","10.1107/S1600536813019636","","","0.71073","MoKα","","0.074","0.0469","","","0.1117","0.1268","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238391","7.8177","0.0002","16.6464","0.0003","8.7222","0.0002","90","","97.165","0.001","90","","1126.21","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4,8,11-Tetraazoniacyclotetradecane tetrakis(hydrogensulfate)","","- C10 H32 N4 O16 S4 -","- C10 H32 N4 O16 S4 -","- C20 H64 N8 O32 S8 -","2","0.5","LH5619","Said, Salem; Mhadhbi, Noureddine; Hajlaoui, Fadhel; Bataille, Thierry; Naïli, Houcine","1,4,8,11-Tetraazoniacyclotetradecane tetrakis(hydrogensulfate)","Acta Crystallographica Section E","2013","69","8","o1278","","10.1107/S1600536813018953","","","0.71073","MoKα","","0.052","0.0423","","","0.1144","0.1226","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238392","6.1457","0.0001","8.2466","0.0002","27.4454","0.0007","90","","90","","90","","1390.96","0.05","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>R</i>,3<i>S</i>,8<i>R</i>,11<i>R</i>)-3,7,7,10-Tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol","","- C16 H26 O -","- C16 H26 O -","- C64 H104 O4 -","4","1","LH5626","Abdoullah, Bimoussa; Aziz, Auhmani; Ait Itto, My Youssef; Daran, Jean-Claude; Abdelwahed, Auhmani","Absolute configuration of (1<i>R</i>,3<i>S</i>,8<i>R</i>,11<i>R</i>)-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodec-9-en-11-ol","Acta Crystallographica Section E","2013","69","8","o1308","o1309","10.1107/S1600536813018497","","","1.5418","CuKα","","0.0386","0.0367","","","0.0956","0.0978","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238393","8.8092","0.0003","9.8629","0.0004","10.9278","0.0004","105.633","0.004","99.971","0.003","104.961","0.003","852.75","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(<i>Z</i>)-3-methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","","- C20 H21 N3 O -","- C20 H21 N3 O -","- C40 H42 N6 O2 -","2","1","LH5629","Sharma, Naresh; Vyas, Komal M.; Jadeja, R. N.; Kant, Rajni; Gupta, Vivek K.","(<i>Z</i>)-3-Methyl-4-[1-(4-methylanilino)propylidene]-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one","Acta Crystallographica Section E","2013","69","8","o1271","","10.1107/S1600536813019144","","","0.71073","MoKα","","0.1007","0.052","","","0.1072","0.1303","","","","","","1.01","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238394","25.777","0.003","8.6754","0.0004","16.7916","0.0017","90","","125.228","0.015","90","","3067.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Diaquabis(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)zinc dimethylformamide hemisolvate","","- C13.5 H15.5 N2.5 O6.5 Zn -","- C13.5 H15.5 N2.5 O6.5 Zn -","- C108 H124 N20 O52 Zn8 -","8","1","LH5630","Croitor, Lilia; Chisca, Diana; Coropceanu, Eduard B.; Fonari, Marina S.","Diaquabis(pyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)zinc dimethylformamide hemisolvate","Acta Crystallographica Section E","2013","69","8","m454","","10.1107/S1600536813018941","","","0.71073","MoKα","","0.114","0.0616","","","0.0917","0.1143","","","","","","1","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238395","11.4189","0.0009","10.6877","0.0009","18.3778","0.0015","90","","106.022","0.001","90","","2155.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrinato]zinc dichloromethane disolvate","","- C50 H40 Cl4 N4 O4 Zn -","- C50 H40 Cl4 N4 O4 Zn -","- C100 H80 Cl8 N8 O8 Zn2 -","2","0.5","LH5631","McGill, Sean; Nesterov, Vladimir N.; Gould, Stephanie L.","[5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrinato]zinc dichloromethane disolvate","Acta Crystallographica Section E","2013","69","8","m471","","10.1107/S1600536813019338","","","0.71073","MoKα","","0.0479","0.0389","","","0.1151","0.1211","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238396","7.3818","0.0015","13.106","0.003","18.719","0.004","90","","95.25","0.03","90","","1803.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","<i>N</i>-Methyl-5-nitrosalicylhydrazide","2-Hydroxy-<i>N</i>'-methyl-5-nitrobenzohydrazide","","- C8 H9 N3 O4 -","- C8 H9 N3 O4 -","- C64 H72 N24 O32 -","8","2","LH5633","Yang, Ming; Jin, Chengzhi; Zhou, Xiaodong; Jin, Longfei","2-Hydroxy-<i>N</i>'-methyl-5-nitrobenzohydrazide","Acta Crystallographica Section E","2013","69","8","o1305","","10.1107/S1600536813019776","","","0.71073","MoKα","","0.0946","0.0583","","","0.1245","0.1419","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238397","4.0185","0.0002","14.6418","0.0008","18.8276","0.0011","90","","90","","90","","1107.78","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","5-Bromoisatin-3-thiosemicarbazone","1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone","","- C9 H7 Br N4 O S -","- C9 H7 Br N4 O S -","- C36 H28 Br4 N16 O4 S4 -","4","1","LR2109","Bandeira, Katlen C. T.; Bresolin, Leandro; Näther, Christian; Jess, Inke; Oliveira, Adriano B.","1-(5-Bromo-2-oxoindolin-3-ylidene)thiosemicarbazone","Acta Crystallographica Section E","2013","69","8","o1251","o1252","10.1107/S1600536813018564","","","0.71073","MoKα","","0.0491","0.0394","","","0.0861","0.091","","","","","","1.022","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238398","6.5881","0.0003","10.1576","0.0003","18.3884","0.0007","90","","92.81","0.003","90","","1229.06","0.08","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Azido-κ<i>N</i>){(<i>E</i>)-2-[1-(pyridin-2-yl)ethylideneamino]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II)","","- C13 H11 Cu N5 O -","- C13 H11 Cu N5 O -","- C52 H44 Cu4 N20 O4 -","4","1","LR2111","Datta, Amitabha; Clegg, Jack K.; Huang, Jui-Hsien; Sheu, Shiann-Cherng","(Azido-κ<i>N</i>){(<i>E</i>)-2-[1-(pyridin-2-yl)ethylideneamino]phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>}copper(II)","Acta Crystallographica Section E","2013","69","8","m468","","10.1107/S1600536813019570","","","1.54184","CuKα","","0.0341","0.0319","","","0.0895","0.0923","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238399","14.541","0.005","6.052","0.005","32.633","0.005","90","","101.871","0.005","90","","2810","3","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","1-[(<i>E</i>)-2-(2-Hydroxy-5-methylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C136 H112 N16 O16 -","8","2","LR2112","Chetioui, Souheyla; Boudraa, Issam; Bouacida, Sofiane; Bouchoul, Abdelkader; Bouaoud, Salah Eddine","1-[(<i>E</i>)-2-(2-Hydroxy-5-methylphenyl)diazen-2-ium-1-yl]naphthalen-2-olate","Acta Crystallographica Section E","2013","69","8","o1322","o1323","10.1107/S160053681302014X","","","0.71073","MoKα","","0.1454","0.0683","","","0.1649","0.2019","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238400","9.253","0.002","13.179","0.003","13.36","0.003","90","","90","","90","","1629.2","0.6","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5-[1-(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-2-oxopropyl]-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","","- C15 H18 N4 O7 -","- C15 H18 N4 O7 -","- C60 H72 N16 O28 -","4","1","MW2109","Sweidan, Kamal; Steimann, Manfred","5-[1-(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-2-oxopropyl]-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione","Acta Crystallographica Section E","2013","69","8","o1334","","10.1107/S1600536813020138","","","0.71073","MoKα","","0.0949","0.0434","","","0.0831","0.0988","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238401","10.0388","0.001","10.2425","0.0008","15.0692","0.0011","83.916","0.008","86.47","0.009","77.124","0.008","1500.8","0.2","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","4-(2-Hydroxyethoxy)phenol","","- C8 H10 O3 -","- C8 H10 O3 -","- C64 H80 O24 -","8","4","MW2112","Meister, Anne C.; Lang, Mathias; Nieger, Martin; Bräse, Stefan","4-(2-Hydroxyethoxy)phenol","Acta Crystallographica Section E","2013","69","8","o1303","o1304","10.1107/S1600536813019818","","","0.71073","MoKα","","0.1063","0.0507","","","0.093","0.1097","","","","","","1.02","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238402","20.0084","0.0008","7.189","0.0003","10.7804","0.0004","90","","101.478","0.002","90","","1519.65","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(4-Bromophenylsulfinyl)-2,5,6-trimethyl-1-benzofuran","","- C17 H15 Br O2 S -","- C17 H15 Br O2 S -","- C68 H60 Br4 O8 S4 -","4","1","NC2313","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Bromophenylsulfinyl)-2,5,6-trimethyl-1-benzofuran","Acta Crystallographica Section E","2013","69","8","o1205","","10.1107/S1600536813017753","","","0.71073","MoKα","","0.0589","0.0408","","","0.1033","0.1137","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238403","7.8885","0.0004","9.3783","0.0004","9.8039","0.0005","110.39","0.003","96.395","0.004","102.992","0.005","648","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[EMIM]~2~P~2~Se~8~","Bis(1-ethyl-3-methylimidazolium) 3,6-diselanylidene-1,2,4,5-tetraselena-3,6-diphosphacyclohexane-3,6-diselenolate","","- C12 H22 N4 P2 Se8 -","- C12 H22 N4 P2 Se8 -","- C12 H22 N4 P2 Se8 -","1","0.5","NC2314","Cody, Jason A.; Alexander, Grant C. B.; Guillot-Deudon, Catherine","Bis(1-ethyl-3-methylimidazolium) 3,6-diselanylidene-1,2,4,5-tetraselena-3,6-diphosphacyclohexane-3,6-diselenolate","Acta Crystallographica Section E","2013","69","8","o1359","o1360","10.1107/S1600536813020308","","","0.71073","MoKα","","0.0574","0.0294","","","0.0566","0.0626","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238404","4.9158","0.001","10.514","0.002","9.814","0.002","90","","93.716","0.003","90","","506.17","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","4-sulfomylanilinium perchlorate","4-Sulfomylanilinium perchlorate","","- C6 H9 Cl N2 O6 S -","- C6 H9 Cl N2 O6 S -","- C12 H18 Cl2 N4 O12 S2 -","2","1","NG5332","Anitha, R.; Athimoolam, S.; Gunasekaran, M.; Sridhar, B.","4-Sulfamoylanilinium perchlorate","Acta Crystallographica Section E","2013","69","8","o1236","","10.1107/S1600536813017972","","","0.71073","MoKα","","0.0216","0.0216","","","0.0611","0.0611","","","","","","1.075","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238405","12.1337","0.0003","12.2267","0.0003","16.4423","0.0004","90","","107.744","0.001","90","","2323.26","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-(4-chlorophenyl)-2-phenyl-3-(4-phenyl-1,2,3-selenadiazol-5-yl)propanoate","","- C25 H21 Cl N2 O2 Se -","- C25 H21 Cl N2 O2 Se -","- C100 H84 Cl4 N8 O8 Se4 -","4","1","NG5333","Sugumar, P.; Sankari, S.; Manisankar, P.; Thiruselvam, V.; Ponnuswamy, M. N.","Ethyl 3-(4-chlorophenyl)-2-phenyl-3-(4-phenyl-1,2,3-selenadiazol-5-yl)propanoate","Acta Crystallographica Section E","2013","69","8","o1239","","10.1107/S1600536813017790","","","0.71073","MoKα","","0.0694","0.0367","","","0.0936","0.1068","","","","","","1.017","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238406","27.459","0.002","5.558","0.0004","19.467","0.0015","90","","100.168","0.002","90","","2924.3","0.4","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis{<i>N</i>-benzyl-<i>N</i>-[2-(thiophen-2-yl)ethyl]dithiocarbamato-κ^2^<i>S</i>,<i>S</i>'}lead(II)","","- C28 H28 N2 Pb S6 -","- C28 H28 N2 Pb S6 -","- C112 H112 N8 Pb4 S24 -","4","0.5","NG5336","Sathiyaraj, E.; Thirumaran, S.; Sridhar, B.; Selvanayagam, S.","Bis{<i>N</i>-benzyl-<i>N</i>-[2-(thiophen-2-yl)ethyl]dithiocarbamato-κ^2^<i>S</i>,<i>S</i>'}lead(II)","Acta Crystallographica Section E","2013","69","8","m457","","10.1107/S1600536813019259","","","0.71073","MoKα","","0.0304","0.0255","","","0.0712","0.0743","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238407","8.0694","0.0008","8.0763","0.0008","11.4208","0.0011","90.185","0.006","96.28","0.006","111.701","0.006","686.63","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","","- C16 H13 Cl O2 S -","- C16 H13 Cl O2 S -","- C32 H26 Cl2 O4 S2 -","2","1","NK2211","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Chloro-2-(4-methylphenyl)-3-methylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2013","69","8","o1213","","10.1107/S1600536813018400","","","0.71073","MoKα","","0.0429","0.0381","","","0.1001","0.1033","","","","","","1.052","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238408","10.805","0.0005","11.647","0.0005","24.521","0.0008","90","","94.984","0.005","90","","3074.2","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(dimethyl sulfoxide-κ<i>O</i>)copper(II) bis(perchlorate)","","- C18 H32 Cl2 Cu N2 O12 S4 -","- C18 H32 Cl2 Cu N2 O12 S4 -","- C72 H128 Cl8 Cu4 N8 O48 S16 -","4","1","NR2046","Iskenderov, Turganbay","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(dimethyl sulfoxide-κ<i>O</i>)copper(II) bis(perchlorate)","Acta Crystallographica Section E","2013","69","8","m448","m449","10.1107/S1600536813018485","","","0.71073","MoKα","","0.1828","0.0745","","","0.1388","0.1596","","","","","","1.069","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238409","11.0069","0.0008","15.0344","0.0011","15.435","0.0011","80.075","0.001","77.527","0.001","83.077","0.001","2447.4","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Tetraethylammonium dicyanido(5,10,15,20-tetraphenylporphyrinato)ferrate(III) dichloromethane monosolvate","","- C55 H50 Cl2 Fe N7 -","- C54.994 H49.988 Cl1.988 Fe N7 -","- C109.988 H99.976 Cl3.976 Fe2 N14 -","2","1","PJ2003","Kassenova, Nazira; Hietsoi, Oleksandr; Yerkassov, Rakhmetulla; Shatruk, Michael","Tetraethylammonium dicyanido(5,10,15,20-tetraphenylporphyrinato)ferrate(III) dichloromethane monosolvate","Acta Crystallographica Section E","2013","69","8","m462","m463","10.1107/S1600536813019119","","","0.71073","MoKα","","0.0749","0.0504","","","0.1189","0.1288","","","","","","1.117","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238410","8.784","0.002","18.551","0.004","9.195","0.002","90","","90.7","0.03","90","","1498.2","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[ammonium [aquabis(μ-2,3,5,6-tetraoxo-4-nitropyridin-4-ido)argentate(I)]]","","- C10 H8 Ag N5 O13 -","- C10 H8 Ag N5 O13 -","- C40 H32 Ag4 N20 O52 -","4","1","PJ2004","Dinh Do, Nguyen; Kovalchukova, Olga; Stash, Adam; Strashnova, Svetlana","<i>catena</i>-Poly[ammonium [aquabis(μ-2,3,5,6-tetraoxo-4-nitropyridin-4-ido)argentate(I)]]","Acta Crystallographica Section E","2013","69","8","m477","m478","10.1107/S1600536813020631","","","0.71073","MoKα","","0.0629","0.0214","","","0.0618","0.0659","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238411","7.2162","0.0008","7.3372","0.0008","25.9727","0.0013","90","","90","","90","","1375.2","0.2","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>S</i>,3<i>R</i>)-3-(2-Bromophenyl)-2-nitro-2,3,6,7-tetrahydro-1-benzofuran-4(5<i>H</i>)-one","","- C14 H12 Br N O4 -","- C14 H12 Br N O4 -","- C56 H48 Br4 N4 O16 -","4","1","PK2489","Wang, Yifeng; Lou, Liuliu; Dong, Kun; Xu, Danqian","(2<i>S</i>,3<i>R</i>)-3-(2-Bromophenyl)-2-nitro-2,3,6,7-tetrahydro-1-benzofuran-4(5<i>H</i>)-one","Acta Crystallographica Section E","2013","69","8","o1197","","10.1107/S1600536813017698","","","0.71073","MoKα","","0.1106","0.0589","","","0.1093","0.1248","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238412","10.181","0.002","12.163","0.002","8.8624","0.0018","90","","100.17","0.03","90","","1080.2","0.4","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,3-Trimethylene-7,8-dihydropyrrolo[1,2-<i>a</i>]thieno[2,3-<i>d</i>] pyrimidin-4(6<i>H</i>)-one","15-Thia-2,7-diazatetracyclo[7.6.0.0^3,7^.0^10,14^]pentadeca-1(9),2,10(14)-trien-8-one","","- C12 H12 N2 O S -","- C12 H12 N2 O S -","- C48 H48 N8 O4 S4 -","4","1","PK2490","Bozorov, Khurshed; Elmuradov, Burkhon; Shakhidoyatov, Khusnutdin; Aisa, Haji Akber; Tashkhodjaev, Bakhodir","2,3-Trimethylene-7,8-dihydropyrrolo[1,2-<i>a</i>]thieno[2,3-<i>d</i>]pyrimidin-4(6<i>H</i>)-one","Acta Crystallographica Section E","2013","69","8","o1224","","10.1107/S1600536813017935","","","1.54184","CuKα","","0.0492","0.0415","","","0.1178","0.1243","","","","","","1.062","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238413","10.7837","0.0004","11.7075","0.0004","12.0586","0.0004","114.352","0.003","96.245","0.002","109.53","0.005","1252.07","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","[(4<i>E</i>)-1-Methyl-2,6-diphenyl-3-(propan-2-yl)piperidin-4-ylidene]amino 3-methylbenzoate","","- C29 H32 N2 O2 -","- C29 H32 N2 O2 -","- C58 H64 N4 O4 -","2","1","PV2632","Vinuchakkaravarthy, T.; Sivakumar, R.; Srinivasan, T.; Thanikachalam, V.; Velmurugan, D.","[(4<i>E</i>)-1-Methyl-2,6-diphenyl-3-(propan-2-yl)piperidin-4-ylidene]amino 3-methylbenzoate","Acta Crystallographica Section E","2013","69","8","o1276","","10.1107/S160053681301893X","","","0.71073","MoKα","","0.0632","0.0468","","","0.1302","0.144","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238414","7.702","0.002","7.057","0.003","21.55","0.004","90","","109.044","0.019","90","","1107.2","0.6","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(2,4-Dinitrophenyl)acetohydrazide monohydrate","","- C8 H10 N4 O6 -","- C8 H10 N4 O6 -","- C32 H40 N16 O24 -","4","1","PV2637","Essid, Manel; Marouani, Houda; Al-Deyab, Salem S.; Rzaigui, Mohamed","<i>N</i>'-(2,4-Dinitrophenyl)acetohydrazide monohydrate","Acta Crystallographica Section E","2013","69","8","o1249","","10.1107/S1600536813018916","","","0.56083","AgKα","","0.2385","0.0712","","","0.1402","0.1947","","","","","","0.978","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238415","23.093","0.004","23.093","0.004","6.603","0.003","90","","90","","120","","3049.5","1.6","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C72 H108 N72 O72 -","18","1","PV2640","Essid, Manel; Marouani, Houda; Al-Deyab, Salem S.; Rzaigui, Mohamed","5-Amino-1<i>H</i>-1,2,4-triazol-4-ium hydrogen oxalate","Acta Crystallographica Section E","2013","69","8","o1279","","10.1107/S1600536813019363","","","0.5608","AgKα","","0.1223","0.0604","","","0.1608","0.194","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238416","14.078","0.005","20.416","0.005","20.789","0.005","90","","90","","90","","5975","3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-Ethyl-4'-(1<i>H</i>-indol-3-ylcarbonyl)-1'-methyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carbonitrile dimethyl sulfoxide monosolvate","","- C33 H31 N5 O4 S -","- C33 H31 N5 O4 S -","- C264 H248 N40 O32 S8 -","8","1","RK2408","Inglebert, S. Antony; Arun, Yuvaraj; Sethusankar, K.; Perumal, Paramasivam T.","1-Ethyl-4'-(1<i>H</i>-indol-3-ylcarbonyl)-1'-methyl-2,2''-dioxodispiro[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carbonitrile dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2013","69","8","o1328","o1329","10.1107/S1600536813020485","","","0.71073","MoKα","","0.0733","0.0415","","","0.0971","0.1195","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238417","11.312","0.005","28.284","0.008","9.294","0.004","90","","90","","90","","2974","2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","3-[(<i>E</i>)-(Benzyliminiumyl)methyl]-6,8-dichloro-2<i>H</i>-chromen-4-olate","","- C17 H13 Cl2 N O2 -","- C17 H13 Cl2 N O2 -","- C136 H104 Cl16 N8 O16 -","8","1","RN2117","Ishikawa, Yoshinobu; Motohashi, Yuya","3-[(<i>E</i>)-(Benzyliminiumyl)methyl]-6,8-dichloro-2<i>H</i>-chromen-4-olate","Acta Crystallographica Section E","2013","69","8","o1225","","10.1107/S1600536813018072","","","0.71069","MoKα","","","0.034","","","","0.0946","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238418","8.0052","0.0002","17.3439","0.0005","12.4588","0.0003","90","","114.789","0.001","90","","1570.41","0.07","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","","- C17 H18 N4 O S -","- C17 H18 N4 O S -","- C68 H72 N16 O4 S4 -","4","1","RZ5075","Suwunwong, Thitipone; Chantrapromma, Suchada; Chidan Kumar, C. S.; Fun, Hoong-Kun","3-(4-Aminophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazole-1-carbothioamide","Acta Crystallographica Section E","2013","69","8","o1227","o1228","10.1107/S1600536813018096","","","0.71073","MoKα","","0.0418","0.0364","","","0.0983","0.1036","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238419","12.2451","0.0005","16.5509","0.0006","15.8934","0.0006","90","","90","","90","","3221.1","0.2","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","<i>catena</i>-Poly[heptylenediammonium [[tetrachloridobismuthate(III)]-μ-chlorido]]","","- C7 H20 Bi Cl5 N2 -","- C7 H20 Bi Cl5 N2 -","- C56 H160 Bi8 Cl40 N16 -","8","1","RZ5076","Ouasri, Ali; Rhandour, Ali; Saadi, Mohamed; El Ammari, Lahcen","<i>catena</i>-Poly[heptylenediammonium [[tetrachloridobismuthate(III)]-μ-chlorido]]","Acta Crystallographica Section E","2013","69","8","m437","","10.1107/S1600536813018102","","","0.71073","MoKα","","0.0334","0.0207","","","0.0455","0.0507","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238420","7.2573","0.0011","10.1538","0.0015","13.665","0.002","94.467","0.003","99.12","0.004","95.85","0.004","984.5","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","3,4-Dimethylthieno[2,3-<i>b</i>]thiophene-2,5-dicarbonitrile","","- C10 H6 N2 S2 -","- C10 H6 N2 S2 -","- C40 H24 N8 S8 -","4","2","RZ5077","Mabkhot, Yahia Nasser; Al-Showiman, S. S.; Barakat, Assem; Choudhary, M. Iqbal; Yousuf, Sammer","3,4-Dimethylthieno[2,3-<i>b</i>]thiophene-2,5-dicarbonitrile","Acta Crystallographica Section E","2013","69","8","o1272","","10.1107/S1600536813017960","","","0.71073","MoKα","","0.0987","0.0554","","","0.1122","0.1315","","","","","","0.985","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238421","12.0127","0.0003","19.4679","0.0005","15.2083","0.0004","90","","106.045","0.001","90","","3418.09","0.15","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-Phenyl-<i>N</i>'-[3-(2,4,5-triphenyl-2,5-dihydro-1<i>H</i>-pyrazol-3-yl)quinoxalin-2-yl]benzohydrazide","","- C42 H32 N6 O -","- C42 H32 N6 O -","- C168 H128 N24 O4 -","4","1","RZ5080","Ramli, Youssef; Karrouchi, Khalid; Essassi, El Mokhtar; El Ammari, Lahcen","<i>N</i>'-Phenyl-<i>N</i>'-[3-(2,4,5-triphenyl-2,5-dihydro-1<i>H</i>-pyrazol-3-yl)quinoxalin-2-yl]benzohydrazide","Acta Crystallographica Section E","2013","69","8","o1320","o1321","10.1107/S1600536813020035","","","0.71073","MoKα","","0.0984","0.0466","","","0.098","0.1173","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238422","15.19","0.001","11.3138","0.0009","6.72","0.0005","90","","100.627","0.007","90","","1135.07","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[μ-aqua-μ-(<i>N</i>,4-dichloro-2-methylbenzenesulfonamidato)-potassium]","","- C7 H8 Cl2 K N O3 S -","- C7 H8 Cl2 K N O3 S -","- C28 H32 Cl8 K4 N4 O12 S4 -","4","1","SJ5326","Spandana, H. S.; Foro, Sabine; Gowda, B. Thimme","Poly[μ-aqua-μ-(<i>N</i>,4-dichloro-2-methylbenzenesulfonamidato)-potassium]","Acta Crystallographica Section E","2013","69","8","m426","","10.1107/S1600536813015845","","","0.71073","MoKα","","0.0836","0.0759","","","0.1894","0.1933","","","","","","1.281","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238423","8.46436","0.00018","9.38481","0.00019","11.4373","0.0003","101.038","0.0018","104.955","0.0019","96.3847","0.0017","849.08","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dichloridobis[3-(4-chlorophenyl)-2,<i>N</i>,<i>N</i>-trimethyl-2,3-dihydro-1,2,4-oxadiazole-5-amine-κ<i>N</i>^4^]platinum(II)‒4-chlorobenzaldehyde (1/1)","","- C29 H35 Cl5 N6 O3 Pt -","- C29 H35 Cl5 N6 O3 Pt -","- C29 H35 Cl5 N6 O3 Pt -","1","0.5","SJ5329","Kritchenkov, Andreii S.; Gurzhiy, Vladislav V.; Bokach, Nadezhda A.; Kalibabchuk, Valentina A.","Dichloridobis[3-(4-chlorophenyl)-2,<i>N</i>,<i>N</i>-trimethyl-2,3-dihydro-1,2,4-oxadiazole-5-amine-κ<i>N</i>^4^]platinum(II)‒4-chlorobenzaldehyde (1/1)","Acta Crystallographica Section E","2013","69","8","m446","m447","10.1107/S1600536813017376","","","0.71073","MoKα","","0.0224","0.0223","","","0.0534","0.0535","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238424","9.8733","0.0003","10.771","0.0004","14.1044","0.0005","90","","97.943","0.002","90","","1485.55","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","<i>N</i>,<i>N</i>-diethyl-2-(naphthalen-1-yloxy)propanamide","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","2","SJ5338","Cho, Seonghwa; Kim, Jineun; Jeon, Youngeun; Kim, Tae Ho","Napropamide","Acta Crystallographica Section E","2013","69","8","o1207","","10.1107/S1600536813017947","","","0.71073","MoKα","","0.0477","0.0365","","","0.0777","0.083","","","","","","1.032","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238425","16.8974","0.0008","9.4893","0.0005","12.5287","0.0006","90","","92.928","0.004","90","","2006.29","0.17","119.8","0.4","119.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(4-Methyl-2-phenylimidazolidine-1,3-diyl)bis(methylene)]diphenol","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C96 H104 N8 O8 -","4","1","SJ5339","Rivera, Augusto; Cárdenas, Lorena; Ríos-Motta, Jaime; Eigner, Václav; Dušek, Michal","2,2'-[(4-Methyl-2-phenylimidazolidine-1,3-diyl)bis(methylene)]diphenol","Acta Crystallographica Section E","2013","69","8","o1198","","10.1107/S1600536813017893","","","1.5418","CuKα","","0.0558","0.0416","","","0.1044","0.1126","","","","","","1.51","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238426","26.713","0.005","7.3717","0.0004","19.636","0.003","90","","131.21","0.03","90","","2908.9","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(3-Methoxybenzoyl)-2-methylbenzenesulfonamide","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C120 H120 N8 O32 S8 -","8","1","SJ5340","Sreenivasa, S.; Darshan, D.; Prakash Shet, M.; Mohan, N. R.; Kumar, Vijith; Suchetan, P. A.","<i>N</i>-(3-Methoxybenzoyl)-2-methylbenzenesulfonamide","Acta Crystallographica Section E","2013","69","8","o1232","","10.1107/S1600536813018539","","","0.71073","MoKα","","0.0598","0.0446","","","0.104","0.1184","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238427","10.162","0.003","13.831","0.005","16.35","0.004","90","","90","","90","","2298","1.2","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Tetrakis(pyridine-κ<i>N</i>)bis(tetrafluoridoborato-κ<i>F</i>)copper(II)","","- C20 H20 B2 Cu F8 N4 -","- C20 H20 B2 Cu F8 N4 -","- C80 H80 B8 Cu4 F32 N16 -","4","1","SJ5342","De Silva, Nirosha; Pannu, Ajay Pal Singh; Plieger, Paul G.","Tetrakis(pyridine-κ<i>N</i>)bis(tetrafluoridoborato-κ<i>F</i>)copper(II)","Acta Crystallographica Section E","2013","69","8","m450","m451","10.1107/S1600536813018643","","","1.54178","CuKα","","0.0727","0.0493","","","","0.1165","","","","","","1.009","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238428","23.4627","0.0008","23.4627","0.0008","11.3722","0.0004","90","","90","","120","","5421.6","0.3","173","2","173","2","","","","","","","","4","R -3","-R 3","148","","2-[(2-Chlorophenyl)(hydroxy)methyl]phenol","","- C13 H11 Cl O2 -","- C13 H11 Cl O2 -","- C234 H198 Cl18 O36 -","18","","SJ5343","Prakasha, G.; Jasinski, Jerry P.; Brown, Jared S.; Yathirajan, H. S.; Ravishankara, D. K.","2-[(2-Chlorophenyl)(hydroxy)methyl]phenol","Acta Crystallographica Section E","2013","69","8","o1240","","10.1107/S1600536813018667","","","1.5418","CuKα","","0.0715","0.065","","","0.2032","0.2129","","","","","","1.065","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238429","14.3222","0.0009","8.4083","0.0005","16.0102","0.001","90","","113.507","0.001","90","","1768.03","0.19","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Methanol-κ<i>O</i>)-<i>cis</i>-dioxido{(4<i>Z</i>,<i>N</i>'<i>E</i>)-<i>N</i>'-[(<i>Z</i>)-4-oxido-4-phenylbut-3-en-2-ylidene]isonicotinohydrazidato}molybdenum(VI)","","- C17 H17 Mo N3 O5 -","- C17 H17 Mo N3 O5 -","- C68 H68 Mo4 N12 O20 -","4","1","SJ5344","Kurapati, Sathish Kumar","(Methanol-κ<i>O</i>)-<i>cis</i>-dioxido{(4<i>Z</i>,<i>N</i>'<i>E</i>)-<i>N</i>'-[(<i>Z</i>)-4-oxido-4-phenylbut-3-en-2-ylidene]isonicotinohydrazidato}molybdenum(VI)","Acta Crystallographica Section E","2013","69","8","m460","m461","10.1107/S1600536813019077","","","0.71073","MoKα","","0.0273","0.0257","","","0.0685","0.0698","","","","","","1.072","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238430","24.2482","0.001","9.8145","0.0003","35.1675","0.0015","90","","102.45","0.004","90","","8172.5","0.6","119.8","","119.8","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-{[2-(2-Hydroxyphenyl)-4-methylimidazolidine-1,3-diyl]bis(methylene)}diphenol","","- C24 H26 N2 O3 -","- C24 H26 N2 O3 -","- C384 H416 N32 O48 -","16","2","SJ5345","Rivera, Augusto; Cárdenas, Lorena; Ríos-Motta, Jaime; Kučeráková, Monika; Dušek, Michal","2,2'-{[2-(2-Hydroxyphenyl)-4-methylimidazolidine-1,3-diyl]bis(methylene)}diphenol","Acta Crystallographica Section E","2013","69","8","o1295","o1296","10.1107/S1600536813019417","","","1.5418","CuKα","","0.0566","0.0395","","","0.0445","0.0475","","","","","","1.68","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238431","22.7875","0.0012","23.6254","0.0012","8.5593","0.0005","90","","90","","90","","4608","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","Diammonium tetrakis(isothiocyanato)zincate‒1,4,10,13,16-hexaoxacyclooctadecane‒water (1/2/1)","","- C28 H58 N6 O13 S4 Zn -","- C28 H58 N6 O13 S4 Zn -","- C112 H232 N24 O52 S16 Zn4 -","4","0.5","SU2617","Showrilu, K.; Rajarajan, K.; NizamMohideen, M.","Diammonium tetrakis(isothiocyanato)zincate‒1,4,10,13,16-hexaoxacyclooctadecane‒water (1/2/1)","Acta Crystallographica Section E","2013","69","8","m469","m470","10.1107/S1600536813019739","","","0.71073","MoKα","","0.119","0.0518","","","0.1348","0.1749","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238432","6.9461","0.0006","15.5688","0.0011","16.5572","0.0011","90","","90","","90","","1790.5","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Allyl 2-(2,2-dimethyl-3a,6a-dihydrofuro[3,2-<i>d</i>][1,3]dioxol-5-yl)-4-oxo-4<i>H</i>-chromene-3-carboxylate","","- C20 H18 O7 -","- C20 H18 O7 -","- C80 H72 O28 -","4","1","SU2620","Fatima, Zeenat; Srinivasan, Thothadri; Rao, Jonnalagadda Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Allyl 2-(2,2-dimethyl-3a,6a-dihydrofuro[3,2-<i>d</i>][1,3]dioxol-5-yl)-4-oxo-4<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2013","69","8","o1257","o1258","10.1107/S1600536813018904","","","0.71073","MoKα","","0.0867","0.0449","","","0.1066","0.1272","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238433","6.8875","0.0003","15.4958","0.0006","15.9035","0.0006","90","","90","","90","","1697.34","0.12","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Methyl 2-(2,2-dimethyl-3a,6a-dihydrofuro[3,2-<i>d</i>][1,3]dioxol-5-yl)-4-oxo-4<i>H</i>-chromene-3-carboxylate","","- C18 H16 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","SU2622","Fatima, Zeenat; Srinivasan, Thothadri; Rao, Jonnalagadda Naga Siva; Raghunathan, Raghavachary; Velmurugan, Devadasan","Methyl 2-(2,2-dimethyl-3a,6a-dihydrofuro[3,2-<i>d</i>][1,3]dioxol-5-yl)-4-oxo-4<i>H</i>-chromene-3-carboxylate","Acta Crystallographica Section E","2013","69","8","o1310","","10.1107/S1600536813019648","","","0.71073","MoKα","","0.0627","0.0412","","","0.0976","0.1083","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238434","11.6697","0.0011","6.025","0.0006","18.6441","0.0018","90","","94.346","0.001","90","","1307.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(1,3-Benzothiazol-2-yl)iminomethyl]-6-methoxyphenol","","- C15 H12 N2 O2 S -","- C15 H12 N2 O2 S -","- C60 H48 N8 O8 S4 -","4","1","SU2623","Affan, Md. Abu; Jessop, Philip G.; Salam, Md. Abdus; Halim, Siti Nadiah Binti Abdul; Tiekink, Edward R. T.","2-[(1,3-Benzothiazol-2-yl)iminomethyl]-6-methoxyphenol: a new monoclinic polymorph","Acta Crystallographica Section E","2013","69","8","o1273","","10.1107/S1600536813019387","","","0.71073","MoKα","","0.0488","0.0364","","","0.0875","0.0953","","","","","","1.047","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238435","9.7556","0.0005","11.3298","0.0006","12.0571","0.0006","73.187","0.001","87.082","0.001","79.841","0.001","1255.69","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 N O4 Sn -","- C30 H25 N O4 Sn -","- C60 H50 N2 O8 Sn2 -","2","1","TK5234","Bhatti, Moazzam H.; Yunus, Uzma; Mussarat, Nosheen; Helliwell, Madeleine; Prendergast, Richard","<i>catena</i>-Poly[[triphenyltin(IV)]-μ-<i>N</i>-(4-acetylphenyl)maleamato]","Acta Crystallographica Section E","2013","69","8","m427","","10.1107/S1600536813017613","","","0.71073","MoKα","","0.0246","0.0238","","","0.0607","0.0613","","","","","","1.087","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238436","10.4053","0.0002","16.8563","0.0005","10.3624","0.0002","90","","100.882","0.002","90","","1784.83","0.07","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-(3-Sulfanylidene-3,4-dihydroquinoxalin-2-yl)benzohydrazide dimethylformamide monosolvate","","- C18 H19 N5 O2 S -","- C18 H19 N5 O2 S -","- C72 H76 N20 O8 S4 -","4","1","TK5236","Zanzoul, Asmae; Essassi, El Mokhtar; Pratviel, Geneviève; Saadi, Mohamed; El Ammari, Lahcen","<i>N</i>'-(3-Sulfanylidene-3,4-dihydroquinoxalin-2-yl)benzohydrazide dimethylformamide monosolvate","Acta Crystallographica Section E","2013","69","8","o1268","","10.1107/S1600536813019181","","","0.71073","MoKα","","0.0716","0.0474","","","0.1066","0.1191","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238437","6.585","0.007","29.05","0.03","9.385","0.009","90","","110.29","0.02","90","","1684","3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-10,10-Dibromo-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","","- C17 H26 Br2 -","- C17 H26 Br2 -","- C68 H104 Br8 -","4","2","TK5238","Benharref, Ahmed; El karroumi, Jamal; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(1<i>S</i>,3<i>S</i>,8<i>R</i>,9<i>S</i>,11<i>R</i>)-10,10-Dibromo-3,7,7,11-tetramethyltetracyclo[6.5.0.0^1,3^.0^9,11^]tridecane","Acta Crystallographica Section E","2013","69","8","o1261","","10.1107/S160053681301903X","","","0.71073","MoKα","","0.0631","0.0417","","","0.088","0.0952","","","","","","1.099","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238438","8.5161","0.0003","16.8176","0.0006","20.5195","0.0006","90","","99.845","0.002","90","","2895.53","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5''-(2-Fluorobenzylidene)-1'-(2-fluorophenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1<i>H</i>)-dione","","- C37 H32 F2 N2 O2 -","- C37 H32 F2 N2 O2 -","- C148 H128 F8 N8 O8 -","4","1","TK5239","Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","5''-(2-Fluorobenzylidene)-1'-(2-fluorophenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","8","o1291","o1292","10.1107/S1600536813019594","","","0.71073","MoKα","","0.0719","0.0522","","","0.131","0.146","","","","","","1.023","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238439","9.5785","0.0006","8.5687","0.0005","20.2229","0.0013","90","","90","","90","","1659.8","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-Cyano-1-methylpyridinium iodide","","- C7 H7 I N2 -","- C7 H7 I N2 -","- C56 H56 I8 N16 -","8","1","TK5240","Kammer, Michael N.; Koplitz, Lynn V.; Mague, Joel T.","2-Cyano-1-methylpyridinium iodide","Acta Crystallographica Section E","2013","69","8","o1281","","10.1107/S1600536813019302","","","0.71073","MoKα","","0.0504","0.0356","","","0.0803","0.0908","","","","","","1.028","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238440","8.2594","0.0007","13.0352","0.0011","16.6241","0.0013","90","","90","","90","","1789.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-11-Bromo-10-bromomethyl-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H22 Br2 Cl2 -","- C16 H22 Br2 Cl2 -","- C64 H88 Br8 Cl8 -","4","1","TK5241","Benharref, Ahmed; El karroumi, Jamal; El Ammari, Lahcen; Saadi, Mohamed; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>,11<i>S</i>)-11-Bromo-10-bromomethyl-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","Acta Crystallographica Section E","2013","69","8","o1283","","10.1107/S1600536813019697","","","0.71073","MoKα","","0.0467","0.0383","","","0.0978","0.1023","","","","","","1.05","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238441","12.668","0.003","6.2153","0.0012","16.4","0.003","90","","95.91","0.03","90","","1284.4","0.5","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Thiophene-2-carbonyl azide","","- C5 H3 N3 O S -","- C5 H3 N3 O S -","- C40 H24 N24 O8 S8 -","8","1","TK5242","Hsu, Gene C.; Singer, Laci M.; Cordes, David B.; Findlater, Michael","Thiophene-2-carbonyl azide","Acta Crystallographica Section E","2013","69","8","o1298","","10.1107/S1600536813019740","","","0.71073","MoKα","","0.0656","0.0499","","","0.1447","0.1542","","","","","","1.127","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238442","23.5515","0.0009","8.9081","0.0003","20.8278","0.0008","90","","122.628","0.002","90","","3680.1","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(2-Allyl-4-chloro-2<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide hemihydrate","","- C17 H17 Cl N3 O3.5 S -","- C17 H17 Cl N3 O3.5 S -","- C136 H136 Cl8 N24 O28 S8 -","8","1","TK5244","Chicha, Hakima; Kouakou, Assoman; Rakib, El Mostapha; Saadi, Mohamed; El Ammari, Lahcen","<i>N</i>-(2-Allyl-4-chloro-2<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide hemihydrate","Acta Crystallographica Section E","2013","69","8","o1353","","10.1107/S1600536813020606","","","0.71073","MoKα","","0.0891","0.0471","","","0.1025","0.1221","","","","","","1.018","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238443","8.738","0.0017","6.166","0.0012","28.67","0.006","90","","95.95","0.03","90","","1536.4","0.5","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2-[4-(2-Chloroacetyl)phenyl]-2-methyl-1-(pyrrolidin-1-yl)propan-1-one","","- C16 H20 Cl N O2 -","- C16 H20 Cl N O2 -","- C64 H80 Cl4 N4 O8 -","4","2","VM2196","Ren, Dong-mei","2-[4-(2-Chloroacetyl)phenyl]-2-methyl-1-(pyrrolidin-1-yl)propan-1-one","Acta Crystallographica Section E","2013","69","8","o1326","","10.1107/S1600536813020175","","","0.71073","MoKα","","0.1212","0.0597","","","0.0572","0.0686","","","","","","0.922","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238444","6.963","0.002","9.844","0.003","11.213","0.003","103.93","0.03","105.83","0.03","106.38","0.03","666.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(p-nitrophenyl) phosphate sodium salt","Poly[[μ-bis(4-nitrophenyl) phosphato-κ^2^<i>O</i>,<i>O</i>']sodium]","","- C12 H8 N2 Na O8 P -","- C12 H8 N2 Na O8 P -","- C24 H16 N4 Na2 O16 P2 -","2","1","WM2751","Gerus, Aleksandra; Lis, Tadeusz","Poly[[μ-bis(4-nitrophenyl) phosphato-κ^2^<i>O</i>,<i>O</i>']sodium]","Acta Crystallographica Section E","2013","69","8","m464","m465","10.1107/S1600536813019260","","","0.71073","MoKα","","0.0408","0.03","","","0.0856","0.0899","","","","","","1.069","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238445","10.8343","0.0011","14.2291","0.0015","17.3994","0.0018","90","","102.095","0.002","90","","2622.8","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>trans</i>-Bis(μ-benzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis[chlorido(triphenylphosphane-κ<i>P</i>)palladium(II)] chloroform disolvate","","- C50 H42 Cl8 P2 Pd2 S2 -","- C50 H42 Cl8 P2 Pd2 S2 -","- C100 H84 Cl16 P4 Pd4 S4 -","2","0.5","WM2753","Avila-Sorrosa, Alcives; Reyes-Arellano, Alicia; Germán-Acacio, Juan Manuel; Reyes-Martínez, Reyna; Morales-Morales, David","<i>trans</i>-Bis(μ-benzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis[chlorido(triphenylphosphane-κ<i>P</i>)palladium(II)] chloroform disolvate","Acta Crystallographica Section E","2013","69","8","m472","","10.1107/S1600536813019806","","","0.71073","MoKα","","0.0429","0.0389","","","0.0862","0.0882","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238446","8.9075","0.0007","7.3903","0.0006","15.3253","0.0012","90","","90","","90","","1008.85","0.14","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Trichlorido(1,3-dimethyl-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene-κ<i>C</i>^2^)aluminium(III)","","- C5 H8 Al Cl3 N2 -","- C5 H8 Al Cl3 N2 -","- C20 H32 Al4 Cl12 N8 -","4","0.5","WM2754","Tian, Chong; Gao, Xiaofei; Chen, Qiao; Nie, Wanli; Borzov, Maxim V.","Trichlorido(1,3-dimethyl-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene-κ<i>C</i>^2^)aluminium(III)","Acta Crystallographica Section E","2013","69","8","m441","m442","10.1107/S1600536813018254","","","0.71073","MoKα","","0.0361","0.0328","","","0.0844","0.0866","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238447","10.6571","0.0007","13.2482","0.0009","15.0132","0.001","100.843","0.002","110.596","0.002","92.096","0.002","1936.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(2,4,6-triaminopyrimidin-1-ium) sulfate pentahydrate","","- C8 H26 N10 O9 S -","- C8 H26 N10 O9 S -","- C32 H104 N40 O36 S4 -","4","2","WM2755","Nimthong, Ruthairat; Chamchong, Siva; Pakawatchai, Chaveng; Mokhagul, Jedsada; Wattanakanjana, Yupa","Bis(2,4,6-triaminopyrimidin-1-ium) sulfate pentahydrate","Acta Crystallographica Section E","2013","69","8","o1266","o1267","10.1107/S1600536813019223","","","0.71073","MoKα","","0.13","0.0772","","","0.1478","0.1695","","","","","","1.075","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238448","11.2293","0.0009","15.715","0.001","12.8464","0.001","90","","93.238","0.002","90","","2263.4","0.3","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(cyclohexylammonium) tetrachlorido(oxalato)stannate(IV)","","- C14 H28 Cl4 N2 O4 Sn -","- C14 H28 Cl4 N2 O4 Sn -","- C56 H112 Cl16 N8 O16 Sn4 -","4","1","WM2756","Sarr, Modou; Diasse-Sarr, Aminata; Diallo, Waly; Plasseraud, Laurent; Cattey, Hélène","Bis(cyclohexylammonium) tetrachlorido(oxalato)stannate(IV)","Acta Crystallographica Section E","2013","69","8","m473","m474","10.1107/S1600536813019284","","","0.71073","MoKα","","0.0423","0.0354","","","0.0786","0.0834","","","","","","1.118","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238449","7.8535","0.0001","8.7793","0.0002","9.6165","0.0002","90","","101.434","0.001","90","","649.88","0.02","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Distrontium trimanganese(II) bis(hydrogenphosphate) bis(orthophosphate)","","- H2 Mn3 O16 P4 Sr2 -","- H2 Mn3 O16 P4 Sr2 -","- H4 Mn6 O32 P8 Sr4 -","2","0.5","WM2758","Khmiyas, Jamal; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","Distrontium trimanganese(II) bis(hydrogenphosphate) bis(orthophosphate)","Acta Crystallographica Section E","2013","69","8","i50","","10.1107/S1600536813018898","","","0.71073","MoKα","","0.022","0.0186","","","0.0443","0.0451","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238450","12.77795","0.00019","8.57581","0.00015","15.1086","0.0003","90","","95.0717","0.0017","90","","1649.14","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichloridobis[3-(4-methoxyphenyl)-2-methyl-5-(piperidin-1-yl)-2,3-dihydro-1,2,4-oxadiazole-κ<i>N</i>^4^]platinum(II)","","- C30 H42 Cl2 N6 O4 Pt -","- C30 H42 Cl2 N6 O4 Pt -","- C60 H84 Cl4 N12 O8 Pt2 -","2","0.5","XU5715","Kritchenkov, Andreii S.; Lavnevich, Leonid V.; Starova, Galina L.; Bokach, Nadezhda A.; Kalibabchuk, Valentina A.","Dichloridobis[3-(4-methoxyphenyl)-2-methyl-5-(piperidin-1-yl)-2,3-dihydro-1,2,4-oxadiazole-κ<i>N</i>^4^]platinum(II)","Acta Crystallographica Section E","2013","69","8","m435","m436","10.1107/S1600536813018059","","","0.71073","MoKα","","0.0328","0.0201","","","0.0382","0.0417","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238451","12.6077","0.0004","16.7569","0.0005","12.1402","0.0004","90","","99.647","0.002","90","","2528.54","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-3-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)copper(II)]","","- C48 H44 Cl4 Cu2 N4 O10 -","- C48 H44 Cl4 Cu2 N4 O10 -","- C96 H88 Cl8 Cu4 N8 O20 -","2","0.5","XU5716","Bozkurt, Nihat; Tunç, Tuncay; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Tetrakis(μ-3-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>^1^)copper(II)]","Acta Crystallographica Section E","2013","69","8","m431","m432","10.1107/S1600536813017881","","","0.71073","MoKα","","0.0336","0.0305","","","0.0811","0.0829","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238452","12.8911","0.0003","8.0049","0.0002","16.8757","0.0004","90","","90","","90","","1741.44","0.07","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Diaquabis[2-(2-hydroxyethyl)pyridine-κ^2^<i>N</i>,<i>O</i>]cobalt(II) dichloride","","- C14 H22 Cl2 Co N2 O4 -","- C14 H22 Cl2 Co N2 O4 -","- C56 H88 Cl8 Co4 N8 O16 -","4","0.5","XU5717","Zeghouan, Ouahida; Guenifa, Fatiha; Hadjadj, Nasreddine; Bendjeddou, Lamia; Merazig, Hocine","Diaquabis[2-(2-hydroxyethyl)pyridine-κ^2^<i>N</i>,<i>O</i>]cobalt(II) dichloride","Acta Crystallographica Section E","2013","69","8","m439","m440","10.1107/S1600536813018321","","","0.71073","MoKα","","0.0223","0.0198","","","0.0542","0.0562","","","","","","1.04","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238453","13.08","0.0012","13.517","0.0013","7.008","0.0004","90","","94.14","0.006","90","","1235.8","0.18","150","","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(2-Phenyldiazen-2-ium-1-yl)naphthalen-2-olate","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","XU5718","Bougueria, Hassiba; Chetioui, Souheyla; Boudraa, Issam; el kader Bouchoul, Abd; Bouaoud, Salah Eddine","(<i>E</i>)-1-(2-Phenyldiazen-2-ium-1-yl)naphthalen-2-olate","Acta Crystallographica Section E","2013","69","8","o1335","o1336","10.1107/S1600536813020102","","","0.71073","MoKα","","0.076","0.0537","","","0.1282","0.1435","","","","","","1.058","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238454","15.9185","0.0009","19.2366","0.0011","11.5535","0.0007","90","","90","","90","","3537.9","0.4","296","2","296","2","","","","","","","","6","I b a 2","I 2 -2c","45","","Aquabis(3-chlorobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>)copper(II)","","- C34 H38 Cl2 Cu N4 O7 -","- C34 H38 Cl2 Cu N4 O7 -","- C136 H152 Cl8 Cu4 N16 O28 -","4","0.5","XU5719","Bozkurt, Nihat; Tunç, Tuncay; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","Aquabis(3-chlorobenzoato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>-diethylnicotinamide-κ<i>N</i>)copper(II)","Acta Crystallographica Section E","2013","69","8","m458","m459","10.1107/S1600536813018989","","","0.71073","MoKα","","0.0403","0.0316","","","0.0823","0.0862","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238455","7.6629","0.001","11.8442","0.0014","14.342","0.002","90","","90","","90","","1301.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[(<i>E</i>)-(5-Chloro-2-methylphenyl)iminomethyl]-4-methylphenol","","- C15 H14 Cl N O -","- C15 H14 Cl N O -","- C60 H56 Cl4 N4 O4 -","4","1","XU5720","Zheng, Yun-Fa","2-[(<i>E</i>)-(5-Chloro-2-methylphenyl)iminomethyl]-4-methylphenol","Acta Crystallographica Section E","2013","69","8","o1349","","10.1107/S1600536813019454","","","0.71073","MoKα","","0.068","0.0413","","","0.0871","0.1001","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238456","25.1809","0.0005","7.0161","0.0003","30.6755","0.0006","90","","106.203","0.003","90","","5204.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[aquabis(3-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]-μ-<i>N</i>,<i>N</i>-diethylnicotinamide-κ^2^<i>N</i>^1^:<i>O</i>]","","- C24 H24 Cd Cl2 N2 O6 -","- C24 H24 Cd Cl2 N2 O6 -","- C192 H192 Cd8 Cl16 N16 O48 -","8","1","XU5721","Bozkurt, Nihat; Tunç, Tuncay; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer","<i>catena</i>-Poly[[aquabis(3-chlorobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]-μ-<i>N</i>,<i>N</i>-diethylnicotinamide-κ^2^<i>N</i>^1^:<i>O</i>]","Acta Crystallographica Section E","2013","69","8","m466","m467","10.1107/S160053681301965X","","","0.71073","MoKα","","0.0488","0.0461","","","0.0925","0.0932","","","","","","1.351","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238457","10.702","0.0014","7.0263","0.0008","18.024","0.003","90","","106.252","0.007","90","","1301.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-{(<i>E</i>)-[5-(Hydroxymethyl)furan-2-yl]methylidene}pyridine-4-carbohydrazide dihydrate","","- C12 H15 N3 O5 -","- C12 H15 N3 O5 -","- C48 H60 N12 O20 -","4","1","YK2097","Prasanna, M. K.; Sithambaresan, M.; Pradeepkumar, K.; Kurup, M. R. Prathapachandra","<i>N</i>'-{(<i>E</i>)-[5-(Hydroxymethyl)furan-2-yl]methylidene}pyridine-4-carbohydrazide dihydrate","Acta Crystallographica Section E","2013","69","8","o1342","o1343","10.1107/S1600536813020114","","","0.71073","MoKα","","0.0546","0.0375","","","0.1001","0.1138","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238458","7.677","0.004","12.003","0.01","13.885","0.01","90","","90","","90","","1279.5","1.6","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","2-(Benzyloxy)isoquinoline-1,3(2<i>H</i>,4<i>H</i>)-dione","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","ZL2556","Ishikawa, Yoshinobu; Matsuo, Soichiro","2-(Benzyloxy)isoquinoline-1,3(2<i>H</i>,4<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","8","o1311","","10.1107/S1600536813019934","","","0.71069","MoKα","","","0.0686","","","","0.2119","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238459","17.7791","0.0003","11.1766","0.0002","6.91805","0.00012","90","","90","","90","","1374.68","0.04","100","1","100","1","","","","","","","","6","P c a 21","P 2c -2ac","29","","(Dimethylphosphoryl)methanaminium iodide‒(dimethylphosphoryl)methanamine (1/1)","","- C6 H21 I N2 O2 P2 -","- C6 H21 I N2 O2 P2 -","- C24 H84 I4 N8 O8 P8 -","4","1","ZL2559","Reiss, Guido J.","(Dimethylphosphoryl)methanaminium iodide‒(dimethylphosphoryl)methanamine (1/1)","Acta Crystallographica Section E","2013","69","8","o1253","o1254","10.1107/S1600536813019004","","","0.71073","MoKα","","0.0176","0.0163","","","0.0321","0.0325","","","","","","1.045","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238460","20.1034","0.0012","17.799","0.001","6.1366","0.0003","90","","90","","90","","2195.8","0.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(2-<i>tert</i>-Butyl-3-phenyl-2,3-dihydroisoxazole-4,5-diyl)bis(phenylmethanone)","","- C27 H25 N O3 -","- C27 H25 N O3 -","- C108 H100 N4 O12 -","4","1","ZL2560","Sandhya, R.; Sithambaresan, M.; Prathapan, S.; Kurup, M. R. Prathapachandra","(2-<i>tert</i>-Butyl-3-phenyl-2,3-dihydroisoxazole-4,5-diyl)bis(phenylmethanone)","Acta Crystallographica Section E","2013","69","8","o1284","o1285","10.1107/S1600536813019508","","","0.71073","MoKα","","0.0512","0.0378","","","0.0858","0.0941","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238461","16.286","0.007","8.91","0.006","12.008","0.009","90","","102.65","0.04","90","","1700.2","1.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-6,8-Dichloro-3-{[(naphthalen-1-ylmethyl)iminio]methyl}-2<i>H</i>-chromen-4-olate","","- C21 H15 Cl2 N O2 -","- C21 H15 Cl2 N O2 -","- C84 H60 Cl8 N4 O8 -","4","1","ZP2006","Ishikawa, Yoshinobu; Motohashi, Yuya","(<i>E</i>)-6,8-Dichloro-3-{[(naphthalen-1-ylmethyl)iminiumyl]methyl}-2<i>H</i>-chromen-4-olate","Acta Crystallographica Section E","2013","69","8","o1226","","10.1107/S1600536813018084","","","0.71069","MoKα","","","0.0333","","","","0.0831","","","","","","1.041","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238462","10.1828","0.0011","10.3414","0.0011","15.5542","0.0016","90","","102.688","0.002","90","","1597.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","<i>N</i>^2^-(4-Methoxysalicylidene)arginine hemihydrate","(2<i>S</i>)-5-{[Amino(iminiumyl)methyl]amino}-2-{[(1<i>Z</i>)-4-methoxy-2-oxidobenzylidene]azaniumyl}pentanoate hemihydrate","","- C14 H21 N4 O4.5 -","- C14 H21 N4 O4.5 -","- C56 H84 N16 O18 -","4","2","ZS2267","Sethuram, M.; Bhargavi, G.; Dhandapani, M.; Amirthaganesan, G.; NizamMohideen, M.","<i>N</i>^2^-(4-Methoxysalicylidene)arginine hemihydrate","Acta Crystallographica Section E","2013","69","8","o1301","o1302","10.1107/S1600536813019727","","","0.71073","MoKα","","0.0907","0.0722","","","0.1561","0.1668","","","","","","1.098","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238463","8.4945","0.0007","9.961","0.0008","10.3969","0.0008","64.601","0.001","68.72","0.001","70.421","0.001","723.48","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bifenox","Methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate","","- C14 H9 Cl2 N O5 -","- C14 H9 Cl2 N O5 -","- C28 H18 Cl4 N2 O10 -","2","1","ZS2269","Jeon, Youngeun; Kim, Jineun; Cho, Seonghwa; Kim, Tae Ho","Bifenox: methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate","Acta Crystallographica Section E","2013","69","8","o1206","","10.1107/S1600536813018266","","","0.71073","MoKα","","0.0653","0.047","","","0.092","0.0975","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238464","11.9362","0.0011","7.511","0.0007","37.514","0.003","90","","91.65","0.002","90","","3361.8","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Amitraz","dimethylphenyl)carboximidoyl]-<i>N</i>-methylmethanimidamide","","- C19 H23 N3 -","- C19 H23 N3 -","- C152 H184 N24 -","8","2","ZS2270","Lee, Sangjin; Kim, Tae Ho; Shin, Yong Woon; Jeon, Youngeun; Kim, Jineun","Amitraz","Acta Crystallographica Section E","2013","69","8","o1300","","10.1107/S1600536813019764","","","0.71073","MoKα","","0.1337","0.0624","","","0.1476","0.1815","","","","","","0.981","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238465","13.98","0.003","21.808","0.004","9.8492","0.0016","90","","90","","90","","3002.8","1","173","","173","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Trichlorido{methyl[4-(methylimino)pent-2-en-2-yl]azanido-κ^2^<i>N</i>,<i>N</i>'}hafnium(IV)","","- C29 H41 Cl3 Hf N2 -","- C29 H41 Cl3 Hf N2 -","- C116 H164 Cl12 Hf4 N8 -","4","0.5","BH2479","Ikeda, Ken; Masuda, Hideki","Trichlorido{methyl[4-(methylimino)pent-2-en-2-yl]azanido-κ^2^<i>N</i>,<i>N</i>'}hafnium(IV)","Acta Crystallographica Section E","2013","69","9","m505","","10.1107/S1600536813022745","","","0.7107","MoKα","","","0.0285","","","","0.0684","","","","","","1.095","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238466","24.9465","0.0015","4.3709","0.0003","21.8091","0.0013","90","","90","","90","","2378","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","<i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]thiophene-2-carbohydrazide","","- C12 H9 Cl N2 O S -","- C12 H9 Cl N2 O S -","- C96 H72 Cl8 N16 O8 S8 -","8","2","BH2481","Warad, Ismail; Haddad, Salim F.; Al-Noaimi, Mousa; Hammouti, Belkheir; Ben Hadda, Taibi","<i>N</i>'-[(<i>E</i>)-2-Chlorobenzylidene]thiophene-2-carbohydrazide","Acta Crystallographica Section E","2013","69","9","o1442","","10.1107/S1600536813020850","","","0.71073","MoKα","","0.0516","0.0438","","","0.1078","0.1127","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238467","8.0026","0.0003","12.8195","0.0004","14.1321","0.0004","90","","91.602","0.002","90","","1449.24","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Methyl-<i>N</i>-(1-methyl-1<i>H</i>-indazol-5-yl)benzenesulfonamide","","- C15 H15 N3 O2 S -","- C15 H15 N3 O2 S -","- C60 H60 N12 O8 S4 -","4","1","BH2482","Chicha, Hakima; Oulemda, Bassou; Rakib, El Mostapha; Saadi, Mohamed; El Ammari, Lahcen","4-Methyl-<i>N</i>-(1-methyl-1<i>H</i>-indazol-5-yl)benzenesulfonamide","Acta Crystallographica Section E","2013","69","9","o1471","","10.1107/S1600536813023398","","","0.71073","MoKα","","0.0767","0.0461","","","0.1166","0.1344","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238468","6.719","0.001","8.169","0.002","34.12","0.005","90","","90","","90","","1872.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (20α)-16,17-didehydro-19α-methyl-18-oxayohimban-16-carboxylate","","- C21 H24 N2 O3 -","- C21 H24 N2 O3 -","- C84 H96 N8 O12 -","4","1","BQ2388","Cachet, Xavier; Porée, François-Hugues; Michel, Sylvie; Lemoine, Pascale","Tetrahydroalstonine","Acta Crystallographica Section E","2013","69","9","o1389","o1390","10.1107/S1600536813021168","","","0.71069","MoKα","","0.0638","0.0436","","","0.1009","0.1142","","","","","","1.012","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238469","11.2716","0.0001","11.2716","0.0001","4.6981","0.0001","90","","90","","90","","596.889","0.015","293","2","293","2","","","","","","","","5","I -4","I -4","82","","Zinc mercury(II) tetrakis(selenocyanate)","","- C4 Hg N4 Se4 Zn -","- C4 Hg N4 Se4 Zn -","- C8 Hg2 N8 Se8 Zn2 -","2","0.25","BR2230","Sun, Hai-Qing; Wang, Xin-Qiang; Zhang, Wei-Wei","Zinc mercury(II) tetrakis(selenocyanate)","Acta Crystallographica Section E","2013","69","9","i59","","10.1107/S1600536813022502","","","0.71073","MoKα","","0.03","0.026","","","0.0518","0.0527","","","","","","0.86","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238470","5.645","0.0009","11.2255","0.0017","11.5281","0.0017","73.911","0.009","89.898","0.009","81.466","0.009","693.53","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","<i>r</i>-2,<i>c</i>-6-Diphenylpiperidine","","- C17 H19 N -","- C17 H19 N -","- C34 H38 N2 -","2","1","BT6919","Maheshwaran, V.; Abdul Basheer, S.; Akila, A.; Ponnuswamy, S.; Ponnuswamy, M. N.","<i>r</i>-2,<i>c</i>-6-Diphenylpiperidine","Acta Crystallographica Section E","2013","69","9","o1371","","10.1107/S1600536813020382","","","0.71073","MoKα","","0.0576","0.0426","","","0.1121","0.1246","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238471","10.1069","0.0003","13.6178","0.0003","10.853","0.0002","90","","90.777","0.002","90","","1493.6","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-5-yl)benzenesulfonamide","","- C15 H15 N3 O3 S -","- C15 H15 N3 O3 S -","- C60 H60 N12 O12 S4 -","4","1","BT6924","Chicha, Hakima; Rakib, El Mostapha; Geffken, Detlef; Saadi, Mohamed; El Ammari, Lahcen","4-Methoxy-<i>N</i>-(1-methyl-1<i>H</i>-indazol-5-yl)benzenesulfonamide","Acta Crystallographica Section E","2013","69","9","o1398","","10.1107/S1600536813021624","","","0.71073","MoKα","","0.0551","0.0407","","","0.1138","0.1248","","","","","","1.021","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238472","13.3025","0.0006","11.2505","0.0005","7.3092","0.0003","90","","91.343","0.002","90","","1093.59","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Allyl-3-chloro-5-nitro-1<i>H</i>-indazole","","- C10 H8 Cl N3 O2 -","- C10 H8 Cl N3 O2 -","- C40 H32 Cl4 N12 O8 -","4","1","BT6927","Chicha, Hakima; Rakib, El Mostapha; Spinelli, Domenico; Saadi, Mohamed; El Ammari, Lahcen","1-Allyl-3-chloro-5-nitro-1<i>H</i>-indazole","Acta Crystallographica Section E","2013","69","9","o1410","","10.1107/S1600536813021995","","","0.71073","MoKα","","0.0884","0.0469","","","0.1161","0.136","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238473","8.5427","0.0002","9.829","0.0002","13.2658","0.0003","81.133","0.001","78.763","0.001","64.343","0.001","981.73","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3-Benzyl-1-{[3-(4-chlorophenyl)isoxazol-5-yl]methyl}-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C24 H18 Cl N3 O2 -","- C24 H18 Cl N3 O2 -","- C48 H36 Cl2 N6 O4 -","2","1","BT6928","Kandri Rodi, Youssef; Haoudi, Amal; Capet, Frédéric; Rolando, Christian; El Ammari, Lahcen","3-Benzyl-1-{[3-(4-chlorophenyl)isoxazol-5-yl]methyl}-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","9","o1451","","10.1107/S160053681302299X","","","0.71073","MoKα","","0.06","0.0452","","","0.1279","0.1434","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238474","5.6423","0.0003","8.0808","0.0004","36.3864","0.0019","90","","90","","90","","1659.01","0.15","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(+)-(<i>S</i>)-<i>N</i>-[(1-Benzothiophen-2-yl)methylidene]-1-(naphthalen-1-yl)ethylamine","","- C21 H17 N S -","- C21 H17 N S -","- C84 H68 N4 S4 -","4","1","BT6929","Hernández-Téllez, Guadalupe; Portillo-Moreno, Oscar; Gutiérrez, René; Rios-Merino, Francisco J.; Mendoza, Angel","(+)-(<i>S</i>)-<i>N</i>-[(1-Benzothiophen-2-yl)methylidene]-1-(naphthalen-1-yl)ethylamine","Acta Crystallographica Section E","2013","69","9","o1480","","10.1107/S1600536813023611","","","1.54184","CuKα","","0.0506","0.0397","","","","0.0919","","","","","","1.011","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238475","15.6232","0.001","15.0696","0.0009","15.9063","0.0011","90","","98.873","0.002","90","","3700.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-amino-4-(4-methyl-1,3-thiazol-5-yl)-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carboxylate","","- C19 H16 N2 O5 S -","- C19 H16 N2 O5 S -","- C152 H128 N16 O40 S8 -","8","2","BX2447","Karthikeyan, V.; Ramkumar, V.; Karunakaran, R. Joel","Ethyl 2-amino-4-(4-methyl-1,3-thiazol-5-yl)-5-oxo-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-3-carboxylate","Acta Crystallographica Section E","2013","69","9","o1411","o1412","10.1107/S1600536813021703","","","0.71073","MoKα","","0.1058","0.0481","","","0.1137","0.1445","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238476","6.27869","0.00007","15.43607","0.00012","15.27141","0.00013","90","","96.2633","0.0009","90","","1471.24","0.02","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","arylpyrazoles","Ethyl 5-amino-1-[(4-methylphenyl)sulfonyl]-1<i>H</i>-pyrazole-4-carboxylate","","- C13 H15 N3 O4 S -","- C13 H15 N3 O4 S -","- C52 H60 N12 O16 S4 -","4","1","CV5421","Elgazwy, Abdel-Sattar S. Hamad; Nassar, Ibrahim F.; Jones, Peter G.","Ethyl 5-amino-1-[(4-methylphenyl)sulfonyl]-1<i>H</i>-pyrazole-4-carboxylate","Acta Crystallographica Section E","2013","69","9","o1376","","10.1107/S1600536813019326","","","1.54184","CuKα","","0.0272","0.0271","","","0.0738","0.0738","","","","","","1.05","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238477","22.3068","0.0008","7.5667","0.0002","12.7114","0.0005","90","","98.837","0.004","90","","2120.07","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tricyclo[3.3.1.0^3,7^]nonane-3,7-diyl bis(4-methylbenzenesulfonate)","","- C23 H26 O6 S2 -","- C23 H26 O6 S2 -","- C92 H104 O24 S8 -","4","0.5","FB2286","Ioannou, Savvas; Moushi, Eleni","Tricyclo[3.3.1.0^3,7^]nonane-3,7-diyl bis(4-methylbenzenesulfonate)","Acta Crystallographica Section E","2013","69","9","o1464","o1465","10.1107/S1600536813023234","","","0.71073","MoKα","","0.035","0.0317","","","0.0864","0.0885","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238478","6.2028","0.0002","6.5971","0.0001","8.5963","0.0002","109.734","0.002","102.621","0.003","97.031","0.002","315.649","0.015","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Diaquadichloridobis(pyridine-κ<i>N</i>)cobalt(II)","","- C10 H14 Cl2 Co N2 O2 -","- C10 H14 Cl2 Co N2 O2 -","- C10 H14 Cl2 Co N2 O2 -","1","0.5","FB2288","Kannan, P.S.; Ganeshraja, A. S.; Anbalagan, K.; Govindan, E.; SubbiahPandi, A.","Diaquadichloridobis(pyridine-κ<i>N</i>)cobalt(II)","Acta Crystallographica Section E","2013","69","9","m508","m509","10.1107/S1600536813022484","","","0.71073","MoKα","","0.0518","0.0474","","","0.1462","0.1494","","","","","","1.157","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238479","4.8761","0.0002","12.1025","0.0004","9.822","0.0003","90","","99.112","0.003","90","","572.31","0.04","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Levulinic acid","4-Oxopentanoic acid","","- C5 H8 O3 -","- C5 H8 O3 -","- C20 H32 O12 -","4","1","FF2114","Hachuła, Barbara; Polasz, Anna; Dzida, Marzena; Nowak, Maria; Kusz, Joachim","Levulinic acid","Acta Crystallographica Section E","2013","69","9","o1406","","10.1107/S1600536813021090","","","0.71073","MoKα","","0.0447","0.04","","","0.1103","0.1136","","","","","","1.058","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238480","19.9481","0.0009","4.4138","0.0001","13.3277","0.0005","90","","109.027","0.004","90","","1109.35","0.07","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","<i>anti</i>-Ethyl acetohydroximate","Ethyl <i>N</i>-hydroxyethanecarboximidate","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","1","FF2116","Hachuła, Barbara; Polasz, Anna; Nowak, Maria; Kusz, Joachim","<i>anti</i>-Ethyl acetohydroximate","Acta Crystallographica Section E","2013","69","9","o1418","","10.1107/S1600536813022368","","","0.71073","MoKα","","0.0378","0.034","","","0.0964","0.0982","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238481","11.3755","0.0003","11.9028","0.0003","12.5261","0.0003","86.122","0.001","85.949","0.001","89.206","0.001","1687.86","0.07","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","2-Isopropyl-2-(6-methoxy-1,3-benzothiazol-2-yl)-5,5-dimethyl-1,3-thiazolidin-4-one","","- C16 H20 N2 O2 S2 -","- C16 H20 N2 O2 S2 -","- C64 H80 N8 O8 S8 -","4","2","FK2073","Würfel, Hendryk; Görls, Helmar; Weiss, Dieter; Beckert, Rainer","2-Isopropyl-2-(6-methoxy-1,3-benzothiazol-2-yl)-5,5-dimethyl-1,3-thiazolidin-4-one","Acta Crystallographica Section E","2013","69","9","o1391","","10.1107/S1600536813019521","","","0.71073","MoKα","","0.0457","0.0392","","","0.0828","0.0878","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238482","15.1438","0.0004","5.7099","0.0002","18.7388","0.0006","90","","91.967","0.002","90","","1619.38","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Amino-2-(pivaloylamino)pyridinium benzoate","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C68 H84 N12 O12 -","4","1","FY2103","Checińska, Lilianna; Ośmiałowski, Borys; Valkonen, Arto","6-Amino-2-(pivaloylamino)pyridinium benzoate","Acta Crystallographica Section E","2013","69","9","o1483","o1484","10.1107/S1600536813023787","","","0.71073","MoKα","","0.1398","0.0655","","","0.1209","0.1411","","","","","","1","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238483","7.5473","0.0008","11.7362","0.001","11.5228","0.0011","90","","96.436","0.003","90","","1014.22","0.17","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(<i>E</i>)-2-Bromomethyl-3-(<i>o</i>-tolyl)acrylonitrile","","- C11 H10 Br N -","- C11 H10 Br N -","- C44 H40 Br4 N4 -","4","1","GK2587","Kanchanadevi, J.; Anbalagan, G.; Selvakumar, R.; Bakthadoss, M.; Gunasekaran, B.; Manivannan, V.","(<i>E</i>)-2-Bromomethyl-3-(<i>o</i>-tolyl)acrylonitrile","Acta Crystallographica Section E","2013","69","9","o1367","","10.1107/S1600536813021041","","","0.71073","MoKα","","0.075","0.0347","","","0.0707","0.0845","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238484","9.4967","0.0003","11.2837","0.0002","12.0297","0.0004","109.897","0.002","96.388","0.002","102.048","0.002","1161.9","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-(1,1-Dicyclohexyl-3-phenylallyl)-5,5-dimethyl-1,3,2-dioxaborinane","","- C26 H39 B O2 -","- C26 H39 B O2 -","- C52 H78 B2 O4 -","2","1","GO2094","El-Hiti, Gamal A.; Smith, Keith; Elliott, Mark C.; Jones, Dyfyr Heulyn; Kariuki, Benson M.","(<i>E</i>)-2-(1,1-Dicyclohexyl-3-phenylallyl)-5,5-dimethyl-1,3,2-dioxaborinane","Acta Crystallographica Section E","2013","69","9","o1403","","10.1107/S1600536813021739","","","0.71073","MoKα","","0.0658","0.05","","","0.1167","0.1275","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238485","7.7994","0.0014","10.2797","0.0008","10.8056","0.0008","116.862","0.003","103.956","0.004","96.78","0.004","723.8","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Dimethyl 6-iodo-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","","- C14 H14 I N O4 -","- C14 H14 I N O4 -","- C28 H28 I2 N2 O8 -","2","1","GW2137","Gültekin, Zeynep; Frey, Wolfgang; Hökelek, Tuncer","Dimethyl 6-iodo-2-methyl-1,2-dihydroquinoline-2,4-dicarboxylate","Acta Crystallographica Section E","2013","69","9","o1476","","10.1107/S1600536813023544","","","0.71073","MoKα","","0.0272","0.0267","","","0.073","0.0733","","","","","","1.239","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238486","21.5802","0.0006","15.3758","0.0004","5.73626","0.00014","90","","90","","90","","1903.36","0.09","291","2","291","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","1,2:1',2'-Di-<i>O</i>-isopropylidenedifuranose","6-{5-Ethyl-6-hydroxy-2,2-dimethyltetrahydro-2<i>H</i>-furo[2,3-<i>d</i>][1,3]dioxol-6a-yl}-5-ethylidene-2,2-dimethyl-tetrahydro-2<i>H</i>-furo[2,3-<i>d</i>][1,3]dioxol-6-ol","","- C18 H28 O8 -","- C18 H28 O8 -","- C72 H112 O32 -","4","1","HB7100","Zhang, Qiurong; Zhou, Guangqiang; He, Peng; Chen, Xuebin; Liu, Hongmin","1,2:1',2'-Di-<i>O</i>-isopropylidenedifuranose-C12 higher carbon sugar","Acta Crystallographica Section E","2013","69","9","o1399","","10.1107/S1600536813021776","","","1.54184","CuKα","","0.0416","0.0371","","","0.094","0.0986","","","","","","1.048","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238487","11.1812","0.0002","11.5623","0.0002","16.4471","0.0002","101.42","0.001","98.127","0.001","101.316","0.001","2007.43","0.06","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis(phenylcarbamothioyl)benzene-1,3-dicarboxamide","","- C22 H18 N4 O2 S2 -","- C22 H18 N4 O2 S2 -","- C88 H72 N16 O8 S8 -","4","2","HB7103","Ngaini, Zainab; Mohd Ariff, Maya Asyikin; Wan Zullkiplee, Wan Sharifatun Handayani; Hussain, Hasnain; Rosli, Mohd Mustaqim","<i>N</i>,<i>N</i>'-Bis(phenylcarbamothioyl)benzene-1,3-dicarboxamide","Acta Crystallographica Section E","2013","69","9","o1374","o1375","10.1107/S1600536813020163","","","0.71073","MoKα","","0.0592","0.0443","","","0.1113","0.1215","","","","","","1.03","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238488","9.7158","0.0002","12.504","0.0002","13.5925","0.0002","106.415","0.001","100.882","0.001","94.854","0.001","1538.74","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Oxo-2-(2-oxo-2<i>H</i>-chromen-3-yl)ethyl pyrrolidine-1-carbodithioate","","- C16 H15 N O3 S2 -","- C16 H15 N O3 S2 -","- C64 H60 N4 O12 S8 -","4","2","HB7109","Kumar, K. Mahesh; Mahabhaleshwaraiah, N. M.; Kotresh, O.; Roopashree, K. R.; Devarajegowda, H. C.","2-Oxo-2-(2-oxo-2<i>H</i>-chromen-3-yl)ethyl pyrrolidine-1-carbodithioate","Acta Crystallographica Section E","2013","69","9","o1382","","10.1107/S1600536813020965","","","0.71073","MoKα","","0.048","0.0388","","","0.104","0.109","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238489","8.5905","0.0003","8.7215","0.0003","20.7373","0.0007","90","","90","","90","","1553.68","0.09","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-Cyclopropyl-1-(6'-Deoxy-1',2'-<i>O</i>-isopropylidene-α-<i>D</i>-glucofuranosyl)-1<i>H</i>-1,2,3-triazole","","- C14 H21 N3 O5 -","- C14 H21 N3 O5 -","- C56 H84 N12 O20 -","4","1","HB7111","Zhang, Qiurong; He, Peng; Zhou, Guangqiang; Yu, Kang; Liu, Hongmin","4-Cyclopropyl-1-(6'-deoxy-1',2'-<i>O</i>-isopropylidene-α-<small>D</small>-glucofuranosyl)-1<i>H</i>-1,2,3-triazole","Acta Crystallographica Section E","2013","69","9","o1386","","10.1107/S1600536813021351","","","1.54178","CuKα","","0.0467","0.0415","","","0.1076","0.1127","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238490","17.996","0.008","9.127","0.006","11.649","0.007","90","","102","0.04","90","","1871.5","1.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-{[([1,1'-Biphenyl]-3-ylmethyl)iminiumyl]methyl}-6,8-dichloro-2<i>H</i>-chromen-4-olate","","- C23 H17 Cl2 N O2 -","- C23 H17 Cl2 N O2 -","- C92 H68 Cl8 N4 O8 -","4","1","HB7114","Ishikawa, Yoshinobu; Motohashi, Yuya","(<i>E</i>)-3-{[([1,1'-Biphenyl]-3-ylmethyl)iminiumyl]methyl}-6,8-dichloro-2<i>H</i>-chromen-4-olate","Acta Crystallographica Section E","2013","69","9","o1448","","10.1107/S160053681302285X","","","0.71069","MoKα","","","0.0447","","","","0.1149","","","","","","1.005","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238491","16.3379","0.0005","9.6445","0.0003","20.5078","0.0006","90","","90","","90","","3231.43","0.17","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-Oxo-2-(2-oxo-2<i>H</i>-chromen-3-yl)ethyl diethyldithiocarbamate","","- C16 H17 N O3 S2 -","- C16 H17 N O3 S2 -","- C128 H136 N8 O24 S16 -","8","1","HB7115","Meenakshi, T. G.; Devarajegowda, H. C.; Kumar, K. Mahesh; Kotresh, O.; Devaru, Venkatesh B.","2-Oxo-2-(2-oxo-2<i>H</i>-chromen-3-yl)ethyl diethyldithiocarbamate","Acta Crystallographica Section E","2013","69","9","o1454","","10.1107/S1600536813021806","","","0.71073","MoKα","","0.0528","0.0351","","","0.0835","0.0895","","","","","","1.049","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238492","9.3684","0.0007","6.6146","0.0004","16.072","0.0011","90","","99.939","0.004","90","","981.01","0.12","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-Methoxyphenyl)pyrrolidine-2,5-dione","","- C11 H11 N O3 -","- C11 H11 N O3 -","- C44 H44 N4 O12 -","4","1","HB7117","Sirajuddin, Muhammad; Ali, Saqib","1-(4-Methoxyphenyl)pyrrolidine-2,5-dione","Acta Crystallographica Section E","2013","69","9","o1439","","10.1107/S1600536813022460","","","0.71073","MoKα","","0.0411","0.0339","","","0.0862","0.0935","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238493","17.674","0.003","6.1352","0.0012","23.961","0.005","90","","95.359","0.009","90","","2586.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(3-Chlorobenzoyl)-3-(3,4-dichlorophenyl)-1-(4-ferrocenylphenyl)guanidine","","- C30 H22 Cl3 Fe N3 O -","- C30 H22 Cl3 Fe N3 O -","- C120 H88 Cl12 Fe4 N12 O4 -","4","1","HB7118","Gul, Rukhsana; Khan, Azim; Badshah, Amin; Tahir, M. Nawaz","2-(3-Chlorobenzoyl)-3-(3,4-dichlorophenyl)-1-(4-ferrocenylphenyl)guanidine","Acta Crystallographica Section E","2013","69","9","m486","","10.1107/S1600536813021892","","","0.71073","MoKα","","0.1305","0.0599","","","0.1002","0.1222","","","","","","1.009","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238494","9.855","0.002","12.064","0.002","16.345","0.003","90","","97.61","0.03","90","","1926.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[2,5-Dibromo-4-(4-methylbenzoyl)phenyl](4-methylphenyl)methanone","1,4-Dibromo-2,5-di-<i>p</i>-toluoylbenzene","","- C22 H16 Br2 O2 -","- C22 H16 Br2 O2 -","- C88 H64 Br8 O8 -","4","1","HB7121","He, Guang-Ke; Song, Guang-Liang; Chen, Chen; Zhu, Hong-Jun","1,4-Dibromo-2,5-di-<i>p</i>-toluoylbenzene","Acta Crystallographica Section E","2013","69","9","o1444","","10.1107/S160053681302237X","","","0.71073","MoKα","","0.1644","0.0651","","","0.1082","0.1325","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238495","12.3467","0.0004","10.3227","0.0003","17.0611","0.0006","90","","90.864","0.002","90","","2174.21","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Triphenyl(pyrrolidine-1-carbodithioato-κ<i>S</i>)tin(IV)","","- C23 H23 N S2 Sn -","- C23 H23 N S2 Sn -","- C92 H92 N4 S8 Sn4 -","4","1","HB7122","Sirajuddin, Muhammad; Uddin, Noor; Ali, Saqib","Triphenyl(pyrrolidine-1-carbodithioato-κ<i>S</i>)tin(IV)","Acta Crystallographica Section E","2013","69","9","m497","","10.1107/S1600536813022472","","","0.71073","MoKα","","0.0305","0.0224","","","0.0534","0.0618","","","","","","1.012","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238496","12.426","0.0003","12.9136","0.0003","17.9749","0.0004","89.7528","0.0018","79.4467","0.0019","71.298","0.002","2681.23","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","Bis[<i>O</i>,<i>O</i>'-bis(4-<i>tert</i>-butylphenyl) dithiophosphato-κ^2^<i>S</i>,<i>S</i>']bis(pyridine-κ<i>N</i>)lead(II)","","- C50 H62 N2 O4 P2 Pb S4 -","- C50 H62 N2 O4 P2 Pb S4 -","- C100 H124 N4 O8 P4 Pb2 S8 -","2","1","HB7129","Zhang, Xiulan; Xie, Bin; He, Linxin; Lu, Lu; Chen, Neng","Bis[<i>O</i>,<i>O</i>'-bis(4-<i>tert</i>-butylphenyl) dithiophosphato-κ^2^<i>S</i>,<i>S</i>']bis(pyridine-κ<i>N</i>)lead(II)","Acta Crystallographica Section E","2013","69","9","m524","","10.1107/S1600536813023945","","","0.71073","MoKα","","0.0462","0.0328","","","0.0619","0.0675","","","","","","1.016","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238497","5.1264","0.001","8.035","0.0016","10.04","0.002","68.6","0.03","77.64","0.03","85.16","0.03","376.11","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Di-μ-aqua-bis[aqua(5-carboxylato-1<i>H</i>-1,2,3-triazole-4-carboxylic acid-κ^2^<i>N</i>^3^,<i>O</i>^4^)lithium]","","- C8 H12 Li2 N6 O12 -","- C8 H12 Li2 N6 O12 -","- C8 H12 Li2 N6 O12 -","1","0.5","HB7130","Starosta, Wojciech; Leciejewicz, Janusz","Di-μ-aqua-bis[aqua(5-carboxylato-1<i>H</i>-1,2,3-triazole-4-carboxylic acid-κ^2^<i>N</i>^3^,<i>O</i>^4^)lithium]","Acta Crystallographica Section E","2013","69","9","m515","m516","10.1107/S1600536813023167","","","0.71073","MoKα","","0.073","0.0572","","","0.1385","0.1512","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238498","15.097","0.002","5.8121","0.001","10.486","0.002","90","","99.75","0.02","90","","906.8","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Methylbenzylammonium nitrate","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C32 H48 N8 O12 -","4","1","HB7131","Gatfaoui, Sofian; Marouani, Houda; Rzaigui, Mohamed","4-Methylbenzylammonium nitrate","Acta Crystallographica Section E","2013","69","9","o1453","","10.1107/S1600536813022836","","","0.56083","AgKα","","0.225","0.0709","","","0.1642","0.2164","","","","","","0.958","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238499","6.1347","0.0005","7.1124","0.0003","19.8245","0.0013","90","","90","","90","","864.99","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-3-(4-Bromo-5-methylthiophen-2-yl)acrylonitrile","","- C8 H6 Br N S -","- C8 H6 Br N S -","- C32 H24 Br4 N4 S4 -","4","1","HG5330","El-Hiti, Gamal A.; Smith, Keith; Balakit, Asim A.; Masmali, Ali; Kariuki, Benson M.","(<i>E</i>)-3-(4-Bromo-5-methylthiophen-2-yl)acrylonitrile","Acta Crystallographica Section E","2013","69","9","o1385","","10.1107/S1600536813019752","","","0.71073","MoKα","","0.0526","0.0476","","","0.1157","0.1204","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238500","12.6926","0.0002","11.8015","0.0002","19.9701","0.0004","90","","103.883","0.002","90","","2903.97","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-[3-({[Bis(2-methylpropyl)carbamothioyl]amino}carbonyl)benzoyl]-3,3-bis(2-methylpropyl)thiourea","","- C26 H42 N4 O2 S2 -","- C26 H42 N4 O2 S2 -","- C104 H168 N16 O8 S8 -","4","1","HG5336","Selvakumaran, N.; Karvembu, R.; Ng, Seik Weng; Tiekink, Edward R. T.","1-[3-({[Bis(2-methylpropyl)carbamothioyl]amino}carbonyl)benzoyl]-3,3-bis(2-methylpropyl)thiourea","Acta Crystallographica Section E","2013","69","9","o1368","","10.1107/S1600536813021053","","","1.54184","CuKα","","0.0541","0.0504","","","0.1378","0.1423","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238501","8.1888","0.0005","13.8545","0.0006","8.1592","0.0004","90","","98.771","0.005","90","","914.85","0.08","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-chlorido-bis[(2-aminobenzamide-κ^2^<i>N</i>^2^,<i>O</i>)chloridocopper(II)]","","- C14 H16 Cl4 Cu2 N4 O2 -","- C14 H16 Cl4 Cu2 N4 O2 -","- C28 H32 Cl8 Cu4 N8 O4 -","2","0.5","HG5337","Damous, Maamar; Dénès, George; Bouacida, Sofiane; Hamlaoui, Meriem; Merazig, Hocine; Daran, Jean-Claude","Di-μ-chlorido-bis[(2-aminobenzamide-κ^2^<i>N</i>^2^,<i>O</i>)chloridocopper(II)]","Acta Crystallographica Section E","2013","69","9","m488","","10.1107/S1600536813021879","","","0.71073","MoKα","","0.0247","0.0219","","","0.0566","0.0584","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238502","6.5536","0.0004","8.06","0.0005","11.3369","0.0006","100.068","0.005","106.344","0.004","105.712","0.005","532.35","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","8-Hydroxyquinolin-1-ium hydrogen sulfate monohydrate","","- C9 H11 N O6 S -","- C9 H11 N O6 S -","- C18 H22 N2 O12 S2 -","2","1","HG5339","Damous, Maamar; Dénès, George; Bouacida, Sofiane; Hamlaoui, Meriem; Merazig, Hocine; Daran, Jean-Claude","8-Hydroxyquinolin-1-ium hydrogen sulfate monohydrate","Acta Crystallographica Section E","2013","69","9","o1458","o1459","10.1107/S1600536813022319","","","0.71073","MoKα","","0.0321","0.0295","","","0.0773","0.0793","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238503","7.457","0.0015","9.049","0.0015","11.782","0.002","68.8","0.011","81.124","0.013","73.441","0.009","709.3","0.2","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","Benzene-1,2,4,5-tetracarboxylic acid bis(1,3,7-trimethyl-2,3,6,7-tetrahydro-1<i>H</i>-purine-2,6-dione)","","- C26 H26 N8 O12 -","- C26 H26 N8 O12 -","- C26 H26 N8 O12 -","1","0.5","HG5340","Arman, Hadi D.; Tiekink, Edward R. T.","Benzene-1,2,4,5-tetracarboxylic acid bis(1,3,7-trimethyl-2,3,6,7-tetrahydro-1<i>H</i>-purine-2,6-dione)","Acta Crystallographica Section E","2013","69","9","o1443","","10.1107/S1600536813022563","","","0.71073","MoKα","","0.0468","0.0443","","","0.1175","0.1201","","","","","","1.043","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238504","9.4599","0.0002","23.3634","0.0005","17.2312","0.0004","90","","96.001","0.002","90","","3787.49","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ethyl 2-amino-6-(4-bromophenyl)-4-(4-fluorophenyl)cyclohexa-1,3-diene-1-carboxylate","Ethyl 2-amino-6-(4-bromophenyl)-4-(4-fluorophenyl)cyclohexa-1,3-diene-1-carboxylate","","- C21 H19 Br F N O2 -","- C21 H19 Br F N O2 -","- C168 H152 Br8 F8 N8 O16 -","8","2","HG5341","Narayana, B.; Sapnakumari, M.; Jasinski, Jerry P.; Fraiser, Peter M.; Yathirajan, H. S.","Ethyl 2-amino-6-(4-bromophenyl)-4-(4-fluorophenyl)cyclohexa-1,3-diene-1-carboxylate","Acta Crystallographica Section E","2013","69","9","o1473","","10.1107/S1600536813023325","","","1.5418","CuKα","","0.0629","0.051","","","0.137","0.1477","","","","","","1.025","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238505","4.9971","0.0004","8.6363","0.0004","13.5808","0.0009","97.869","0.004","91.66","0.006","100.968","0.005","569.06","0.07","200","1","200","1","","","","","","","","5","P -1","-P 1","2","Bis(4-methoxy-3,4-dihydroquinazolin-1-ium) chloranilate","Bis(4-methoxy-3,4-dihydroquinazolin-1-ium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate","","- C24 H22 Cl2 N4 O6 -","- C24 H22 Cl2 N4 O6 -","- C24 H22 Cl2 N4 O6 -","1","0.5","HG5342","Gotoh, Kazuma; Ishida, Hiroyuki","Bis(4-methoxy-3,4-dihydroquinazolin-1-ium) chloranilate","Acta Crystallographica Section E","2013","69","9","o1482","","10.1107/S1600536813023635","","","0.71075","MoKα","","0.0949","0.0824","","","0.168","0.177","","","","","","0.843","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238506","15.1335","0.0006","9.6048","0.0002","16.9739","0.0006","90","","97.384","0.001","90","","2446.77","0.14","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,3-Dimethyl-<i>cis</i>-9a,13a-diphenyl-2,3,9a,11,12,13a-hexahydro-1<i>H</i>-benzo[<i>h</i>][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-<i>f</i>]chromene","","- C31 H28 O5 -","- C31 H28 O5 -","- C124 H112 O20 -","4","1","HG5343","Bernardes, Bauer O.; Ferreira, Aurelio B. Buarque; Wardell, James L.; Wardell, Solange M. S. V.; Netto-Ferreira, José C.; Tiekink, Edward R. T.","3,3-Dimethyl-<i>cis</i>-9a,13a-diphenyl-2,3,9a,11,12,13a-hexahydro-1<i>H</i>-benzo[<i>h</i>][1,4]dioxino[2',3':5,6][1,4]dioxino[2,3-<i>f</i>]chromene","Acta Crystallographica Section E","2013","69","9","o1487","o1488","10.1107/S1600536813023660","","","0.71073","MoKα","","0.1007","0.0499","","","0.1122","0.1385","","","","","","1.015","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238507","16.8808","0.0004","7.3212","0.0002","13.5268","0.0003","90","","128.364","0.001","90","","1310.79","0.06","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[di-μ-aqua-diaquabis(μ~7~-oxalato-κ^9^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^2'^,<i>O</i>^1'^:<i>O</i>^1'^)calciumdicaesium]","","- C4 H8 Ca Cs2 O12 -","- C4 H8 Ca Cs2 O12 -","- C16 H32 Ca4 Cs8 O48 -","4","0.5","HY2635","Kherfi, Hamza; Hamadène, Malika; Guehria-Laïdoudi, Achoura; Dahaoui, Slimane; Lecomte, Claude","Poly[di-μ-aqua-diaquabis(μ~7~-oxalato-κ^9^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^2'^,<i>O</i>^1'^:<i>O</i>^1'^)calciumdicaesium]","Acta Crystallographica Section E","2013","69","9","m493","m494","10.1107/S1600536813022654","","","0.71073","MoKα","","0.025","0.0241","","","0.0601","0.0602","","","","","","1.25","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238508","9.0667","0.0002","9.3922","0.0002","9.6486","0.0002","94.218","0.001","113.543","0.001","106.265","0.001","706.87","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1-Allyl-3-benzyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C34 H32 N4 O2 -","2","1","IM2438","Kandri Rodi, Youssef; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; Essassi, El Mokhtar; El Ammari, Lahcen","1-Allyl-3-benzyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one","Acta Crystallographica Section E","2013","69","9","o1477","o1478","10.1107/S1600536813023568","","","0.71073","MoKα","","0.0657","0.0472","","","0.1271","0.1411","","","","","","1.059","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238509","8.2988","0.0004","10.4667","0.0003","10.9665","0.0003","75.568","0.002","85.411","0.002","74.145","0.002","887.33","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(<i>Z</i>)-<i>N</i>-(2,6-Diisopropylphenyl)-4-nitrobenzimidoyl chloride","","- C19 H21 Cl N2 O2 -","- C19 H21 Cl N2 O2 -","- C38 H42 Cl2 N4 O4 -","2","1","IS5293","El-Hiti, Gamal A.; Smith, Keith; Jones, Dyfyr Heulyn; Masmali, Ali; Kariuki, Benson M.","(<i>Z</i>)-<i>N</i>-(2,6-Diisopropylphenyl)-4-nitrobenzimidoyl chloride","Acta Crystallographica Section E","2013","69","9","o1384","","10.1107/S1600536813020862","","","0.71073","MoKα","","0.0879","0.0616","","","0.1476","0.1732","","","","","","1.057","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238510","10.917","0.002","19.083","0.004","12.705","0.003","90","","104.201","0.002","90","","2565.9","0.9","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Dichlorido[6,8,22,24,34,36-hexamethyl-33,35-diaza-3,11,19,27-tetraazoniapentacyclo[27.3.1.1^5,9^.1^13,17^.1^21,25^]hexatriaconta-1(33),5,7,9(34),13,15,17(35),21,23,25(36),29,31-dodecaene-κ^6^<i>N</i>^3^,<i>N</i>^11^,<i>N</i>^19^,<i>N</i>^27^,<i>N</i>^33^,<i>N</i>^35^]dipalladium(II) bis(perchlorate) <i>N</i>,<i>N</i>-dimethylformamide disolvate methanol disolvate","","- C44 H68 Cl4 N8 O12 Pd2 -","- C44 H68 Cl4 N8 O12 Pd2 -","- C88 H136 Cl8 N16 O24 Pd4 -","2","0.5","IS5294","Oda, Kohei; Funahashi, Yasuhiro; Masuda, Hideki","Dichlorido[6,8,22,24,34,36-hexamethyl-33,35-diaza-3,11,19,27-tetraazoniapentacyclo[27.3.1.1^5,9^.1^13,17^.1^21,25^]hexatriaconta-1(33),5,7,9(34),13,15,17(35),21,23,25(36),29,31-dodecaene-κ^6^<i>N</i>^3^,<i>N</i>^11^,<i>N</i>^19^,<i>N</i>^27^,<i>N</i>^33^,<i>N</i>^35^]dipalladium(II) bis(perchlorate) <i>N</i>,<i>N</i>-dimethylformamide disolvate methanol disolvate","Acta Crystallographica Section E","2013","69","9","m520","m521","10.1107/S1600536813022666","","","0.7107","MoKα","","","0.0375","","","","0.0965","","","","","","1.08","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238511","22.3698","0.0011","22.4296","0.0016","15.3707","0.0007","90","","90","","90","","7712.2","0.8","170","2","170","2","","","","","","","","6","P n n 2","P 2 -2n","34","","Poly[[bis[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']bis(thiocyanato-κ<i>N</i>)cobalt(II)] 1,2-bis(pyridin-4-yl)ethene monosolvate dihydrate]","","- C38 H34 Co N8 O2 S2 -","- C38 H34 Co N8 O2 S2 -","- C304 H272 Co8 N64 O16 S16 -","8","2","IS5295","Wöhlert, Susanne; Jess, Inke; Näther, Christian","Poly[[bis[μ~2~-1,2-bis(pyridin-4-yl)ethene-κ^2^<i>N</i>:<i>N</i>']bis(thiocyanato-κ<i>N</i>)cobalt(II)] 1,2-bis(pyridin-4-yl)ethene monosolvate dihydrate]","Acta Crystallographica Section E","2013","69","9","m482","","10.1107/S1600536813021107","","","0.71073","MoKα","","0.0628","0.0462","","","0.1009","0.108","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238512","6.0108","0.0005","7.3394","0.0005","31.674","0.002","90","","90","","90","","1397.32","0.17","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-Bis(2-hydroxy-5-methylbenzylidene)hydrazine","2-{[2-(2-Hydroxy-5-methylbenzylidene)hydrazin-1-ylidene]methyl}-4-methylphenol","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","1","IS5296","Saravanan, B.; Jayamani, A.; Sengottuvelan, N.; Chakkaravarthi, G.; Manivannan, V.","1,2-Bis(2-hydroxy-5-methylbenzylidene)hydrazine","Acta Crystallographica Section E","2013","69","9","o1394","o1395","10.1107/S160053681302148X","","","0.71073","MoKα","","0.0952","0.0503","","","0.128","0.1541","","","","","","1.022","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238513","10.5922","0.0005","8.2883","0.0003","19.1885","0.0009","90","","92.988","0.003","90","","1682.29","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","6-Chloro-2-(4-methoxyphenyl)-4-phenylquinoline","","- C22 H16 Cl N O -","- C22 H16 Cl N O -","- C88 H64 Cl4 N4 O4 -","4","1","IS5297","Saravanan, B.; Thamilarasan, V.; Sengottuvelan, N.; Chakkaravarthi, G.; Manivannan, V.","6-Chloro-2-(4-methoxyphenyl)-4-phenylquinoline","Acta Crystallographica Section E","2013","69","9","o1463","","10.1107/S1600536813023295","","","0.71073","MoKα","","0.0592","0.0432","","","0.1105","0.1251","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238514","12.6138","0.0002","14.8745","0.0003","20.7862","0.0015","97.909","0.007","105.209","0.007","99.034","0.007","3650.7","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","Bis(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(1-methylimidazole)di-μ-propionato-pentamanganese(III)manganese(II)‒dimethylformamide‒methanol (1/0.24/1.36)","","- C65.264 H74.971 Mn6 N15.417 O22.43 -","- C65.264 H74.971 Mn6 N15.417 O22.43 -","- C130.528 H149.942 Mn12 N30.834 O44.86 -","2","1","JJ2172","Lutter, Jacob C.; Kampf, Jeff W.; Zeller, Matthias; Zaleski, Curtis M.","Bis(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(1-methylimidazole)di-μ-propionato-pentamanganese(III)manganese(II)‒dimethylformamide‒methanol (1/0.24/1.36)","Acta Crystallographica Section E","2013","69","9","m483","m484","10.1107/S1600536813021314","","","1.54178","CuKα","","0.0707","0.0585","","","0.1553","0.1638","","","","","","1.093","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2238515","9.4901","0.0009","22.9466","0.0019","13.1776","0.0013","90","","97.978","0.006","90","","2841.9","0.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1',4,5-Tetrahydrotrispiro[1,3,2-diazaphosphole-2,2'-[1,3,5,2,4,6]triazatriphosphinine-4',6''-dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6',6'''-dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine] acetone monosolvate","","- C29 H28 N5 O5 P3 -","- C29 H28 N5 O5 P3 -","- C116 H112 N20 O20 P12 -","4","1","JJ2173","Fontenot, Krystal R.; Easson, Michael W.; Fronczek, Frank R.; Condon, Brian D.","1,1',4,5-Tetrahydrotrispiro[1,3,2-diazaphosphole-2,2'-[1,3,5,2,4,6]triazatriphosphinine-4',6''-dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-6',6'''-dibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine] acetone monosolvate","Acta Crystallographica Section E","2013","69","9","o1491","o1492","10.1107/S1600536813023830","","","1.54184","CuKα","","0.0452","0.0366","","","0.0973","0.1022","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238516","18.854","0.002","13.937","0.002","19.249","0.002","90","","90.082","0.003","90","","5058","1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(dimethyl sulfoxide-κ<i>O</i>)tetrakis(μ~2~-3,4,5-trimethoxybenzoato-κ^2^<i>O</i>:<i>O</i>')dizinc","","- C44 H56 O22 S2 Zn2 -","- C44 H56 O22 S2 Zn2 -","- C176 H224 O88 S8 Zn8 -","4","0.5","KJ2227","Deutsch, Diana; Zevaco, Thomas; Walter, Olaf","Bis(dimethyl sulfoxide-κ<i>O</i>)tetrakis(μ~2~-3,4,5-trimethoxybenzoato-κ^2^<i>O</i>:<i>O</i>')dizinc","Acta Crystallographica Section E","2013","69","9","m519","","10.1107/S1600536813023118","","","0.71073","MoKα","","0.1081","0.0647","","","0.1462","0.1642","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238517","8.9546","0.0001","9.0724","0.0001","10.6818","0.0002","79.556","0.001","75.42","0.001","83.451","0.001","823.79","0.02","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Fluazinam","3-Chloro-<i>N</i>-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2,6-dinitro-4-(trifluoromethyl)aniline","","- C13 H4 Cl2 F6 N4 O4 -","- C13 H4 Cl2 F6 N4 O4 -","- C26 H8 Cl4 F12 N8 O8 -","2","1","KJ2230","Jeon, Youngeun; Kim, Jineun; Lee, Sangjin; Kim, Tae Ho","Fluazinam","Acta Crystallographica Section E","2013","69","9","o1467","","10.1107/S1600536813023210","","","0.71073","MoKα","","0.0364","0.0323","","","0.0815","0.0845","","","","","","1.036","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238518","8.3432","0.0004","10.2446","0.0005","10.4543","0.0005","61.13","0.005","77.45","0.004","82.534","0.004","763.48","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Ethyl (2<i>Z</i>)-3-oxo-2-(3,4,5-trimethoxybenzylidene)butanoate","","- C16 H20 O6 -","- C16 H20 O6 -","- C32 H40 O12 -","2","1","KJ2231","Zukerman-Schpector, Julio; Hino, Camila Lury; Moran, Paulo J. S.; de Paula, Bruno R. S.; Ng, Seik Weng; Tiekink, Edward R. T.","Ethyl (2<i>Z</i>)-3-oxo-2-(3,4,5-trimethoxybenzylidene)butanoate","Acta Crystallographica Section E","2013","69","9","o1474","","10.1107/S1600536813023374","","","1.54184","CuKα","","0.0354","0.034","","","0.0935","0.0948","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238519","10.616","0.002","13.006","0.003","9.0513","0.0018","90","","93.09","0.03","90","","1247.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dipotassium tetraaquabis(μ-citrato-κ^4^<i>O</i>:<i>O</i>',<i>O</i>'',<i>O</i>''')nickelate(II) tetrahydrate","","- C12 H26 K2 Ni2 O22 -","- C12 H26 K2 Ni2 O22 -","- C24 H52 K4 Ni4 O44 -","2","0.5","KP2456","Yao, Hua-Gang; Huang, Jia-Na; Deng, Run-Kang; Yao, Zhi-Bang","Dipotassium tetraaquabis(μ-citrato-κ^4^<i>O</i>:<i>O</i>',<i>O</i>'',<i>O</i>''')nickelate(II) tetrahydrate","Acta Crystallographica Section E","2013","69","9","m502","m503","10.1107/S1600536813022630","","","0.71073","MoKα","","0.0245","0.0226","","","0.0614","0.0626","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238520","8.288","0.008","8.325","0.007","13.706","0.007","96.55","0.06","92.23","0.07","101.98","0.07","917.1","1.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","6,8-Dichloro-4-oxochromene-3-carbaldehyde","","- C10 H4 Cl2 O3 -","- C10 H4 Cl2 O3 -","- C40 H16 Cl8 O12 -","4","2","LD2111","Ishikawa, Yoshinobu; Motohashi, Yuya","6,8-Dichloro-4-oxochromene-3-carbaldehyde","Acta Crystallographica Section E","2013","69","9","o1416","","10.1107/S1600536813022228","","","0.71069","MoKα","","","0.0758","","","","0.2121","","","","","","1.102","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238521","8.2663","0.0011","11.1661","0.0013","39.478","0.006","90","","90","","90","","3643.9","0.8","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(<i>E</i>,<i>Z</i>)-1-(4-Chlorophenyl)-5-phenyl-5-(phenylsulfanyl)penta-2,4-dien-1-one","","- C23 H17 Cl O S -","- C23 H17 Cl O S -","- C184 H136 Cl8 O8 S8 -","8","1","LD2112","Vologzhanina, Anna V.; Gusev, Dmitry M.; Golovanov, Alexander A.; Pisareva, Valentina S.","(<i>E</i>,<i>Z</i>)-1-(4-Chlorophenyl)-5-phenyl-5-(phenylsulfanyl)penta-2,4-dien-1-one","Acta Crystallographica Section E","2013","69","9","o1479","","10.1107/S160053681302312X","","","0.71073","MoKα","","0.1117","0.0491","","","0.0779","0.0995","","","","","","1.002","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238522","8.7879","0.0008","9.4844","0.0009","18.9207","0.0018","90","","90","","90","","1577","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl 2-[(<i>tert</i>-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoate","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","LH5632","Li, Xiaokun","Methyl 2-[(<i>tert</i>-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoate","Acta Crystallographica Section E","2013","69","9","o1372","","10.1107/S160053681301979X","","","0.71073","MoKα","","0.0404","0.0388","","","0.1003","0.1015","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238523","5.638","0.004","16.16","0.011","16.798","0.012","90","","92.524","0.012","90","","1529","1.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Biphenyl-2,4,4',6-tetracarboxylic acid monohydrate","","- C16 H12 O9 -","- C16 H12 O9 -","- C64 H48 O36 -","4","1","LH5634","Wang, Ye-Nan; Zhao, Jun","Biphenyl-2,4,4',6-tetracarboxylic acid monohydrate","Acta Crystallographica Section E","2013","69","9","o1373","","10.1107/S1600536813019624","","","0.71073","MoKα","","0.0581","0.0524","","","0.1441","0.1522","","","","","","1.022","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238524","7.7347","0.0005","8.5151","0.0008","9.3913","0.0007","64.388","0.004","68.435","0.003","79.06","0.005","518.36","0.07","180","1","180","2","","","","","","","","5","P -1","-P 1","2","Bis(triethylammonium) chloranilate","Bis(triethylammonium) 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate","","- C18 H32 Cl2 N2 O4 -","- C18 H32 Cl2 N2 O4 -","- C18 H32 Cl2 N2 O4 -","1","0.5","LH5635","Gotoh, Kazuma; Maruyama, Shinpei; Ishida, Hiroyuki","Bis(triethylammonium) chloranilate","Acta Crystallographica Section E","2013","69","9","o1400","","10.1107/S1600536813021405","","","0.71075","MoKα","","0.0503","0.0436","","","0.1158","0.121","","","","","","1.058","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238525","10.9292","0.0008","10.9332","0.0006","13.7002","0.0013","90","","107.939","0.009","90","","1557.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Amino-1<i>H</i>-pyrazol-2-ium trifluoroacetate","","- C5 H6 F3 N3 O2 -","- C5 H6 F3 N3 O2 -","- C40 H48 F24 N24 O16 -","8","2","LH5637","Yamuna, T. S.; Jasinski, Jerry P.; Scadova, Derek R.; Yathirajan, H. S.; Kaur, Manpreet","3-Amino-1<i>H</i>-pyrazol-2-ium trifluoroacetate","Acta Crystallographica Section E","2013","69","9","o1425","o1426","10.1107/S1600536813022204","","","1.5418","CuKα","","0.0668","0.048","","","0.1204","0.1358","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238526","6.569","0.0007","10.1342","0.001","16.9357","0.0019","90","","90","","90","","1127.4","0.2","150","2","150","2","","","","","","","","5","P 21 n b","P -2bc 2a","33","","2-Hydroxymethyl-1,3-dimethyl-1<i>H</i>-benzimidazol-3-ium iodide","","- C10 H13 I N2 O -","- C10 H13 I N2 O -","- C40 H52 I4 N8 O4 -","4","1","LH5638","Said, Mohamed El Hadi; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali; Chibani, Aissa; Bouraiou, Abdelmalek","2-Hydroxymethyl-1,3-dimethyl-1<i>H</i>-benzimidazol-3-ium iodide","Acta Crystallographica Section E","2013","69","9","o1429","o1430","10.1107/S1600536813022307","","","0.71073","MoKα","","0.0384","0.0267","","","0.0618","0.068","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238527","17.077","0.003","17.816","0.003","8.5107","0.0017","90","","96.01","0.003","90","","2575.1","0.8","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{[Ethyl(pyridin-4-ylmethyl)carbamothioyl]sulfanido-κ^2^<i>S</i>,<i>S</i>'}(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium","","- C21 H35 K N2 O6 S2 -","- C21 H35 K N2 O6 S2 -","- C84 H140 K4 N8 O24 S8 -","4","1","LH5639","Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T.","{[Ethyl(pyridin-4-ylmethyl)carbamothioyl]sulfanido-κ^2^<i>S</i>,<i>S</i>'}(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium","Acta Crystallographica Section E","2013","69","9","m479","m480","10.1107/S1600536813021569","","","0.71069","MoKα","","0.0445","0.0397","","","0.0968","0.1002","","","","","","1.093","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238528","9.8347","0.0006","11.1775","0.0005","13.1287","0.0008","90","","110.614","0.007","90","","1350.8","0.15","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,5-Di-<i>tert</i>-butyl-2-hydroxybenzaldehyde","","- C15 H22 O2 -","- C15 H22 O2 -","- C60 H88 O8 -","4","1","LH5640","Ng, Seik Weng","A second monoclinic polymorph of 3,5-di-<i>tert</i>-butyl-2-hydroxybenzaldehyde","Acta Crystallographica Section E","2013","69","9","o1427","","10.1107/S1600536813022010","","","0.71073","MoKα","","0.0598","0.0457","","","0.1097","0.1189","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238529","10.8734","0.0005","11.2416","0.0005","7.0822","0.0003","90","","75.601","0.002","90","","838.5","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H9 N5 O S -","- C5 H9 N5 O S -","- C20 H36 N20 O4 S4 -","4","1","LH5642","Houari, Benayad; Louhibi, Samira; Boukli-Hacene, Leila; Roisnel, Thierry; Taleb, Mustapha","(<i>E</i>)-2-[(1<i>H</i>-Imidazol-4-yl)methylidene]hydrazinecarbothioamide monohydrate","Acta Crystallographica Section E","2013","69","9","o1469","","10.1107/S1600536813022927","","","0.71073","MoKα","","0.0337","0.0304","","","","0.0831","","","","","","1.056","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238530","10.0877","0.0014","8.1922","0.001","20.57","0.002","90","","102.589","0.008","90","","1659","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[{μ-<i>N</i>'-[2-(carboxylatomethoxy)benzylidene]-2-hydroxybenzohydrazidato}(methanol-κ<i>O</i>)nickel(II)]","","- C17 H16 N2 Ni O6 -","- C17 H16 N2 Ni O6 -","- C68 H64 N8 Ni4 O24 -","4","1","LH5646","Luo, Feihua; Du, Huirong; Yang, Li; Zhang, Ping","<i>catena</i>-Poly[{μ-<i>N</i>'-[2-(carboxylatomethoxy)benzylidene]-2-hydroxybenzohydrazidato}(methanol-κ<i>O</i>)nickel(II)]","Acta Crystallographica Section E","2013","69","9","m523","","10.1107/S1600536813024161","","","0.71073","MoKα","","0.0336","0.0293","","","0.0693","0.073","","","","","","1.079","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238531","8.107","0.005","11.043","0.005","12.573","0.005","99.766","0.005","101.878","0.005","105.335","0.005","1031.9","0.9","150","","150","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>')bis{[4-(dimethylamino)pyridine-κ<i>N</i>^1^]cobalt(II)}","","- C46 H48 Co2 N4 O8 -","- C46 H48 Co2 N4 O8 -","- C46 H48 Co2 N4 O8 -","1","0.5","LR2113","Benslimane, Meriem; Redjel, Yasmine Kheira; Dénès, Georges; Merazig, Hocine","Tetrakis(μ-2-phenylacetato-κ^2^<i>O</i>:<i>O</i>')bis{[4-(dimethylamino)pyridine-κ<i>N</i>^1^]cobalt(II)}","Acta Crystallographica Section E","2013","69","9","m517","m518","10.1107/S1600536813023258","","","0.71073","MoKα","","0.0281","0.025","","","0.0585","0.0601","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238532","18.572","0.003","11.025","0.002","14.975","0.003","90","","96.28","0.02","90","","3047.8","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Amino-6-methylpyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate","","- C10 H15 Cr N2 O11 -","- C10 H15 Cr N2 O11 -","- C80 H120 Cr8 N16 O88 -","8","1","MW2113","Dridi, Rihab; Namouchi Cherni, Saoussen; Zid, Mohamed Faouzi; Driss, Ahmed","2-Amino-6-methylpyridinium <i>trans</i>-diaquadioxalatochromate(III) monohydrate","Acta Crystallographica Section E","2013","69","9","m489","m490","10.1107/S1600536813022058","","","0.71073","MoKα","","0.0468","0.0398","","","0.1071","0.1122","","","","","","1.071","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238533","9.1621","0.0003","11.3598","0.0004","13.1879","0.0005","74.017","0.003","85.995","0.003","77.683","0.003","1289.07","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate","","- C31 H26 Cl2 N2 O2 -","- C31 H26 Cl2 N2 O2 -","- C62 H52 Cl4 N4 O4 -","2","1","MW2114","Prasath, R.; Sarveswari, S.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-3-(2-Chloro-7-methylquinolin-3-yl)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one ethanol monosolvate","Acta Crystallographica Section E","2013","69","9","o1414","o1415","10.1107/S1600536813022022","","","1.54184","CuKα","","0.0465","0.0439","","","0.1192","0.1217","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238534","9.1536","0.0002","12.6562","0.0002","19.3939","0.0004","84.674","0.001","79.667","0.001","72.405","0.001","2105.15","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Cyclohexyl-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran","","- C26 H23 F O2 S -","- C26 H23 F O2 S -","- C104 H92 F4 O8 S4 -","4","2","MW2115","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-2-(4-fluorophenyl)-3-phenylsulfinyl-1-benzofuran","Acta Crystallographica Section E","2013","69","9","o1452","","10.1107/S1600536813022678","","","0.71073","MoKα","","0.0444","0.0371","","","0.0944","0.1001","","","","","","1.026","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238535","6.278","0.003","7.9","0.003","21.5","0.007","90","","90","","90","","1066.3","0.7","298","1","298","1","101","2","","","","","","4","P 2 21 21","P 2bc 2","18","","2,5-Bis{[(-)-(<i>S</i>)-1-(4-methylphenyl)ethyl]iminomethyl}thiophene","","- C24 H26 N2 S -","- C24 H26 N2 S -","- C48 H52 N4 S2 -","2","0.5","NC2315","Bernès, Sylvain; Hernández-Téllez, Guadalupe; Sharma, Manju; Portillo-Moreno, Oscar; Gutiérrez, René","2,5-Bis{[(‒)-(<i>S</i>)-1-(4-methylphenyl)ethyl]iminomethyl}thiophene","Acta Crystallographica Section E","2013","69","9","o1428","","10.1107/S1600536813021685","","","0.71073","MoKα","","0.0781","0.0519","","","0.1275","0.1554","","","","","","1.063","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238536","5.5384","0.0005","9.2717","0.0009","16.0483","0.0014","75.508","0.005","89.474","0.005","81.625","0.005","789.04","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","3-Ethyl-<i>cis</i>-2,6-diphenylpiperidine","","- C19 H23 N -","- C19 H23 N -","- C38 H46 N2 -","2","1","NG5337","Maheshwaran, V.; Abdul Basheer, S.; Akila, A.; Ponnuswamy, S.; Ponnuswamy, M. N.","3-Ethyl-<i>cis</i>-2,6-diphenylpiperidine","Acta Crystallographica Section E","2013","69","9","o1441","","10.1107/S1600536813021417","","","0.71073","MoKα","","0.0547","0.0429","","","0.1133","0.1243","","","","","","1.031","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238537","19.053","0.001","8.0559","0.0005","16.1952","0.0009","90","","90","","90","","2485.8","0.2","293","","293","","","","","","","","","5","C m c a","-C 2ac 2","64","","<i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)iron(II)]-bis(μ-dipyrazin-2-yl disulfide-κ^2^<i>N</i>^4^:<i>N</i>^4'^)]","","- C18 H12 Fe N10 S6 -","- C18 H12 Fe N10 S6 -","- C72 H48 Fe4 N40 S24 -","4","","NR2047","Wöhlert, Susanne; Jess, Inke; Näther, Christian","<i>catena</i>-Poly[[bis(thiocyanato-κ<i>N</i>)iron(II)]-bis(μ-dipyrazin-2-yl disulfide-κ^2^<i>N</i>^4^:<i>N</i>^4'^)]","Acta Crystallographica Section E","2013","69","9","m487","","10.1107/S1600536813021958","","","0.71073","MoKα","","0.0607","0.0505","","","0.1079","0.1127","","","","","","1.152","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238538","6.043","0.002","11.716","0.004","12.217","0.005","117.99","0.02","92","0.02","97.42","0.02","752.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","3-(4-Chlorophenylsulfinyl)-2,4,7-trimethyl-1-benzofuran","","- C17 H15 Cl O2 S -","- C17 H15 Cl O2 S -","- C34 H30 Cl2 O4 S2 -","2","1","PK2491","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","3-(4-Chlorophenylsulfinyl)-2,4,7-trimethyl-1-benzofuran","Acta Crystallographica Section E","2013","69","9","o1383","","10.1107/S160053681302117X","","","0.71073","MoKα","","0.0549","0.0401","","","0.113","0.1278","","","","","","1.119","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238539","5.773","0.005","9.939","0.005","13.268","0.005","90","","95.876","0.005","90","","757.3","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2<i>E</i>,4<i>E</i>)-Ethyl 5-(2,4-dichlorophenylsulfonyl)penta-2,4-dienoate","","- C13 H12 Cl2 O4 S -","- C13 H12 Cl2 O4 S -","- C26 H24 Cl4 O8 S2 -","2","1","PV2638","Sankar, U.; Sabari, V.; Mahalakshmi, S.; Balasubramanian, K. K.; Aravindhan, S.","(2<i>E</i>,4<i>E</i>)-Ethyl 5-(2,4-dichlorophenylsulfonyl)penta-2,4-dienoate","Acta Crystallographica Section E","2013","69","9","o1387","","10.1107/S1600536813021429","","","0.71073","MoKα","","0.0332","0.0298","","","0.0709","0.074","","","","","","1.055","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238540","7.1354","0.0003","10.1627","0.0005","17.0127","0.0008","78.758","0.004","79.544","0.004","84.042","0.004","1186.91","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-3-(2-Chlorobenzo[<i>h</i>]quinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one","","- C32 H21 Cl N2 O -","- C32 H21 Cl N2 O -","- C64 H42 Cl2 N4 O2 -","2","1","PV2642","Prasath, R.; Sarveswari, S.; Ng, Seik Weng; Tiekink, Edward R. T.","(2<i>E</i>)-3-(2-Chlorobenzo[<i>h</i>]quinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","9","o1393","","10.1107/S1600536813021545","","","1.54184","CuKα","","0.0372","0.034","","","0.0914","0.0947","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238541","9.3668","0.0003","9.9785","0.0003","18.6303","0.0005","89.724","0.001","75.967","0.001","63.236","0.001","1497.37","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2-(4-Bromobenzoyl)-1-ferrocenylspiro[11<i>H</i>-pyrrolidizine-3,11'-indeno[1,2-<i>b</i>]quinoxaline]","","- C38 H30 Br Fe N3 O -","- C38 H30 Br Fe N3 O -","- C76 H60 Br2 Fe2 N6 O2 -","2","1","PV2643","Suhitha, Sivasubramanian; Gunasekaran, Krishnaswamy; Sureshbabu, Adukamparai Rajukrishnan; Raghunathan, Raghavachary; Velmurugan, Devadasan","2-(4-Bromobenzoyl)-1-ferrocenylspiro[11<i>H</i>-pyrrolidizine-3,11'-indeno[1,2-<i>b</i>]quinoxaline]","Acta Crystallographica Section E","2013","69","9","m512","m513","10.1107/S1600536813023064","","","0.71073","MoKα","","0.0653","0.0529","","","0.1287","0.1371","","","","","","1.043","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238542","10.889","0.002","10.11","0.002","17.01","0.003","90","","90","","90","","1872.6","0.6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,3-Xylidinium nitrate","2,3-Dimethylanilinium nitrate","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C64 H96 N16 O24 -","8","1","PV2645","Kefi, Chourouk; Marouani, Houda; Rzaigui, Mohamed","2,3-Xylidinium nitrate","Acta Crystallographica Section E","2013","69","9","o1475","","10.1107/S1600536813023465","","","0.56083","AgKα","","0.3175","0.0597","","","0.1084","0.1782","","","","","","0.86","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238543","8.285","0.002","8.987","0.002","10.665","0.003","68.58","0.02","78.95","0.02","88.87","0.02","724.4","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","Lacinilene C 7-methyl ether","1-Hydroxy-7-methoxy-1,6-dimethyl-4-(propan-2-yl)naphthalen-2(1<i>H</i>)-one","","- C16 H20 O3 -","- C16 H20 O3 -","- C32 H40 O6 -","2","1","RK2406","Uzbekov, Vyacheslav V.; Talipov, Samat A.; Ibragimov, Bakhtiyar T.; Stipanovic, Robert D.; Bell, Alois A.","Lacinilene C 7-methyl ether","Acta Crystallographica Section E","2013","69","9","o1392","","10.1107/S1600536813021430","","","1.54184","CuKα","","0.0801","0.0513","","","0.1503","0.1708","","","","","","1.061","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238544","8.65","0.005","16.952","0.005","14.438","0.005","90","","97.161","0.005","90","","2100.6","1.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4'-(1<i>H</i>-Imidazol-2-yl)-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile 0.15-hydrate","","- C25 H20.3 N6 O2.15 -","- C25 H20.3 N6 O2.15 -","- C100 H81.2 N24 O8.6 -","4","1","RK2411","Inglebert, S. Antony; Arun, Yuvaraj; Sethusankar, K.; Perumal, Paramasivam T.","4'-(1<i>H</i>-Imidazol-2-yl)-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxospiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile 0.15-hydrate","Acta Crystallographica Section E","2013","69","9","o1481","","10.1107/S1600536813023246","","","0.71073","MoKα","","0.0549","0.0401","","","0.1002","0.1104","","","","","","1.026","","","","has coordinates,has Fobs","194389","2020-10-21","18:00:00",""
"2238545","11.0114","0.0013","13.6647","0.0018","13.923","0.0018","61.554","0.003","80.252","0.003","89.782","0.004","1808.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-(Adamantan-1-yl)-<i>N</i>-(6-methoxy-1,3-benzothiazol-2-yl)acetamide","","- C20 H24 N2 O2 S -","- C20 H24 N2 O2 S -","- C80 H96 N8 O8 S4 -","4","2","RK2412","Bunev, Alexander S.; Sklyuev, Prokofij V.; Ostapenko, Gennady I.; Purygin, Petr P.; Khrustalev, Victor N.","2-(Adamantan-1-yl)-<i>N</i>-(6-methoxy-1,3-benzothiazol-2-yl)acetamide","Acta Crystallographica Section E","2013","69","9","o1472","","10.1107/S1600536813023313","","","0.71073","MoKα","","0.0983","0.0494","","","0.102","0.1151","","","","","","0.91","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238546","9.3555","0.0009","3.6432","0.0005","6.6887","0.0007","90","","111.669","0.006","90","","211.87","0.04","298","2","298","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Lithium vanado(V)molybdate(VI)","","- Li Mo O6 V -","- Li Mo O6 V -","- Li2 Mo2 O12 V2 -","2","0.25","RU2052","Ezzine Yahmed, Safa; Nasri, Rawia; Zid, Mohamed Faouzi; Driss, Ahmed","Lithium vanado(V)molybdate(VI), Li[VMoO~6~]","Acta Crystallographica Section E","2013","69","9","i57","i58","10.1107/S1600536813022411","","","0.71073","MoKα","","0.0179","0.0175","","","0.0519","0.052","","","","","","1.158","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238547","7.1986","0.0015","7.7611","0.0011","15.635","0.004","77.035","0.016","79.311","0.019","81.845","0.014","831.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2,3-Dimethylphenyl)piperazine-1,4-diium tetrachloridocuprate(II)","","- C12 H20 Cl4 Cu N2 -","- C12 H20 Cl4 Cu N2 -","- C24 H40 Cl8 Cu2 N4 -","2","1","RU2053","Ben Mabrouk, Safa; Ameur, Iness; Abid, Sonia; Rzaigui, Mohamed","1-(2,3-Dimethylphenyl)piperazine-1,4-diium tetrachloridocuprate(II)","Acta Crystallographica Section E","2013","69","9","m485","","10.1107/S1600536813021454","","","0.56087","AgKα","","0.112","0.0495","","","0.1092","0.1293","","","","","","0.998","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238548","13.072","0.003","15.136","0.003","17.192","0.006","90","","125.14","0.02","90","","2781.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4-aminopyridine){2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato}cobalt(III) nitrate","","- C30 H26 Co N7 O5 -","- C30 H26 Co N7 O5 -","- C120 H104 Co4 N28 O20 -","4","1","RZ5078","Dharmalingam, Sivanesan; Yoon, Sungho","Bis(4-aminopyridine){2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]diphenolato}cobalt(III) nitrate","Acta Crystallographica Section E","2013","69","9","m495","m496","10.1107/S1600536813020953","","","0.71073","MoKα","","0.1646","0.0496","","","0.0592","0.0843","","","","","","0.707","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238549","9.36677","0.00018","15.8434","0.0003","16.1452","0.0003","90","","90","","90","","2395.97","0.08","291","2","291.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2-[2-(5-Bromothiophen-2-yl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol","","- C28 H23 Br N2 O S -","- C28 H23 Br N2 O S -","- C112 H92 Br4 N8 O4 S4 -","4","1","RZ5079","Gao, Jie; Yang, Liangru; Mai, Wenpeng; Yuan, Jinwei; Mao, Pu","2-[2-(5-Bromothiophen-2-yl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]-3-phenylpropan-1-ol","Acta Crystallographica Section E","2013","69","9","o1379","","10.1107/S1600536813021016","","","1.5418","CuKα","","0.0355","0.0332","","","0.0828","0.0849","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238550","9.2308","0.0003","12.5991","0.0004","14.3043","0.0004","89.954","0.002","89.052","0.002","79.233","0.002","1634.07","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","2-(3-Cyano-4-methyl-5,5-diphenyl-5<i>H</i>-furan-2-ylidene)malononitrile","","- C21 H13 N3 O -","- C21 H13 N3 O -","- C84 H52 N12 O4 -","4","2","RZ5081","Bhuiyan, M. Delower H.; Gainsford, Graeme J.; Kay, Andrew; Anderson, Jack","2-(3-Cyano-4-methyl-5,5-diphenyl-5<i>H</i>-furan-2-ylidene)malononitrile","Acta Crystallographica Section E","2013","69","9","o1365","o1366","10.1107/S1600536813020849","","","0.71073","MoKα","","0.0679","0.0454","","","0.1073","0.1189","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238551","5.0479","0.0008","19.738","0.003","9.2428","0.0015","90","","91.432","0.004","90","","920.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,6-Difluoro-<i>N</i>-(prop-2-ynyl)benzamide","","- C10 H7 F2 N O -","- C10 H7 F2 N O -","- C40 H28 F8 N4 O4 -","4","1","RZ5082","Hussain, Zahid; Hussain, Ejaz; Siddiqui, Hina; Choudhary, M. Iqbal; Yousuf, Sammer","2,6-Difluoro-<i>N</i>-(prop-2-ynyl)benzamide","Acta Crystallographica Section E","2013","69","9","o1440","","10.1107/S1600536813021120","","","0.71073","MoKα","","0.0547","0.0402","","","0.0895","0.0994","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238552","10.245","0.003","12.72","0.003","15.222","0.004","69.523","0.004","75.854","0.005","66.565","0.004","1692.2","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","(4-Fluorophenyl)thiourea‒1,10-phenanthroline (1/1)","","- C19 H15 F N4 S -","- C19 H15 F N4 S -","- C76 H60 F4 N16 S4 -","4","2","SJ5347","Yamin, Bohari M.; Salem, Halima F.; Yusoff, Siti Fairus M.","(4-Fluorophenyl)thiourea‒1,10-phenanthroline (1/1)","Acta Crystallographica Section E","2013","69","9","o1468","","10.1107/S1600536813023222","","","0.71073","MoKα","","0.0565","0.0409","","","0.1083","0.1211","","","","","","1.027","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238553","9.8965","0.0002","15.2329","0.0003","20.1122","0.0004","90","","90","","90","","3031.96","0.1","100","","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","Pruniflorone N","3,6,11-Trihydroxy-1,1-dimethyl-2,3-dihydrochromeno[2,3-<i>f</i>]chromen-7-one monohydrate","","- C18 H18 O7 -","- C18 H18 O7 -","- C144 H144 O56 -","8","1","SJ5348","Boonnak, Nawong; Chantrapromma, Suchada; Fun, Hoong-Kun","Racemic 2'-hydroxy-4',4'-dimethylpyran-1,5-dihydroxyxanthone monohydrate","Acta Crystallographica Section E","2013","69","9","o1456","o1457","10.1107/S1600536813021223","","","0.71073","MoKα","","0.0581","0.0519","","","0.1405","0.1453","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238554","13.6267","0.0004","10.3769","0.0002","26.9387","0.0006","90","","91.361","0.002","90","","3808.14","0.16","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1'-Methylenebis[3-(2,6-diisopropylphenyl)-3,4,5,6-tetrahydropyrimidin-1-ium] dibromide ethanol monosolvate monohydrate","","- C35 H58 Br2 N4 O2 -","- C35 H58 Br2 N4 O2 -","- C140 H232 Br8 N16 O8 -","4","1","SU2619","Bian, Huanyu; Yang, Liangru; Yuan, Jinwei; Mao, Pu; Xiao, Yongmei","1,1'-Methylenebis[3-(2,6-diisopropylphenyl)-3,4,5,6-tetrahydropyrimidin-1-ium] dibromide ethanol monosolvate monohydrate","Acta Crystallographica Section E","2013","69","9","o1377","o1378","10.1107/S1600536813021004","","","0.7107","MoKα","","0.0797","0.0468","","","0.0889","0.1004","","","","","","1.029","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238555","24.9396","0.0006","6.9158","0.0002","16.2974","0.0005","90","","94.608","0.001","90","","2801.85","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(2-hydroxyethyl)ammonium picrate","","- C10 H14 N4 O9 -","- C10 H14 N4 O9 -","- C80 H112 N32 O72 -","8","2","SU2621","Nagapandiselvi, Perumal; Gopalakrishnan, Rengasamy","Bis(2-hydroxyethyl)ammonium picrate","Acta Crystallographica Section E","2013","69","9","o1455","","10.1107/S1600536813021697","","","0.71073","MoKα","","0.0678","0.045","","","0.113","0.1257","","","","","","1.033","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238556","8.533","0.005","24.952","0.005","17.641","0.005","90","0.005","101.277","0.005","90","0.005","3684","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","<i>cis</i>-Diaquatetrakis(1-butyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) dichloride","","- C28 H52 Cl2 N8 Ni O2 -","- C28 H52 Cl2 N8 Ni O2 -","- C112 H208 Cl8 N32 Ni4 O8 -","4","1","SU2624","Kannan, P. S.; Ganeshraja, A. S.; Rajkumar, K.; Anbalagan, K.; SubbiahPandi, A.","<i>cis</i>-Diaquatetrakis(1-butyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II) dichloride","Acta Crystallographica Section E","2013","69","9","m498","m499","10.1107/S1600536813022496","","","0.71073","MoKα","","0.1198","0.0767","","","0.1944","0.2327","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238557","8.2587","0.0003","8.7679","0.0004","10.9346","0.0005","101.616","0.002","90.426","0.002","91.93","0.002","775.05","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","(4<i>S</i>*)-2-Methylamino-3-nitro-4-(4-nitrophenyl)-5,6,7,8-tetrahydro-4<i>H</i>-chromen-5-one","","- C16 H15 N3 O6 -","- C16 H15 N3 O6 -","- C32 H30 N6 O12 -","2","1","SU2627","Narayanan, P.; Kamalraja, Jayabal; Perumal, Paramasivam T.; Sethusankar, K.","(4<i>S</i>*)-2-Methylamino-3-nitro-4-(4-nitrophenyl)-5,6,7,8-tetrahydro-4<i>H</i>-chromen-5-one","Acta Crystallographica Section E","2013","69","9","o1380","o1381","10.1107/S1600536813021181","","","0.71073","MoKα","","0.0525","0.0444","","","0.1178","0.1261","","","","","","1.038","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238558","7.5488","0.0006","9.9706","0.0007","12.9887","0.001","106.783","0.004","93.022","0.004","102.347","0.004","907.45","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-Chloro-1-(3,3-dimethyl-2,6-diphenylpiperidin-1-yl)ethanone","","- C21 H24 Cl N O -","- C21 H24 Cl N O -","- C42 H48 Cl2 N2 O2 -","2","1","SU2628","Prathebha, K.; Revathi, B. K.; Usha, G.; Ponnuswamy, S.; Abdul Basheer, S.","2-Chloro-1-(3,3-dimethyl-2,6-diphenylpiperidin-1-yl)ethanone","Acta Crystallographica Section E","2013","69","9","o1424","","10.1107/S1600536813022289","","","0.71073","MoKα","","0.054","0.0455","","","0.1228","0.1314","","","","","","1.016","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238559","10.772","0.0002","11.4243","0.0003","14.3507","0.0004","107.244","0.002","105.648","0.002","93.2742","0.0019","1606","0.07","150","2","150","","","","","","","","","7","P -1","-P 1","2","","Bis(triphenyl-λ^5^-phosphanylidene)ammonium chloride‒boric acid (1/1)","","- C36 H33 B Cl N O3 P2 -","- C36 H33 B Cl N O3 P2 -","- C72 H66 B2 Cl2 N2 O6 P4 -","2","1","SU2629","Correia Bicho, Bruno A.; Bolli, Christoph; Jenne, Carsten; Seeger, Helene","A second polymorph of bis(triphenyl-λ^5^-phosphanylidene)ammonium chloride‒boric acid adduct","Acta Crystallographica Section E","2013","69","9","o1435","o1436","10.1107/S1600536813020886","","","0.71073","MoKα","","0.0582","0.0405","","","0.0898","0.0984","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238560","9.5687","0.0003","10.0175","0.0003","17.1768","0.0005","80.367","0.002","75.43","0.001","65.293","0.001","1444.02","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","6-Ferrocenoyl-7-phenylspiro[hexahydropyrrolo[1,2-<i>c</i>][1,3]thiazole-5,11'-indeno[1,2-<i>b</i>]quinoxaline]","","- C37 H29 Fe N3 O S -","- C37 H29 Fe N3 O S -","- C74 H58 Fe2 N6 O2 S2 -","2","1","SU2630","Suhitha, Sivasubramanian; Gunasekaran, Krishnaswamy; Sureshbabu, Adukamparai Rajukrishnan; Raghunathan, Raghavachary; Velmurugan, Devadasan","6-Ferrocenoyl-7-phenylspiro[hexahydropyrrolo[1,2-<i>c</i>][1,3]thiazole-5,11'-indeno[1,2-<i>b</i>]quinoxaline]","Acta Crystallographica Section E","2013","69","9","m500","","10.1107/S1600536813022605","","","0.71073","MoKα","","0.0394","0.0336","","","0.0892","0.0937","","","","","","1.023","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238561","8.2409","0.0008","16.1702","0.0015","15.37","0.0015","90","","95.775","0.005","90","","2037.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-{2-[(<i>E</i>)-2-(2-Nitrophenyl)ethenyl]-1-phenylsulfonyl-1<i>H</i>-indol-3-yl}ethanone","","- C24 H18 N2 O5 S -","- C24 H18 N2 O5 S -","- C96 H72 N8 O20 S4 -","4","1","SU2631","Karthikeyan, S.; Sethusankar, K.; Saravanan, Velu; Mohanakrishnan, Arasambattu K.","1-{2-[(<i>E</i>)-2-(2-Nitrophenyl)ethenyl]-1-phenylsulfonyl-1<i>H</i>-indol-3-yl}ethanone","Acta Crystallographica Section E","2013","69","9","o1422","o1423","10.1107/S1600536813022241","","","0.71073","MoKα","","0.0549","0.041","","","0.1086","0.118","","","","","","1.02","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238562","8.1947","0.0015","14.384","0.003","18.795","0.003","90","","90.963","0.009","90","","2215.1","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-Chloro-2-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde","","- C25 H15 Cl N2 O6 S -","- C25 H15 Cl N2 O6 S -","- C100 H60 Cl4 N8 O24 S4 -","4","1","SU2632","Gopinath, S.; Sethusankar, K.; Ramalingam, Bose Muthu; Mohanakrishnan, Arasambattu K.","2-(4-Chloro-2-nitrophenyl)-9-phenylsulfonyl-9<i>H</i>-carbazole-3-carbaldehyde","Acta Crystallographica Section E","2013","69","9","o1420","o1421","10.1107/S1600536813022253","","","0.71073","MoKα","","0.0786","0.0534","","","0.1468","0.1721","","","","","","1.046","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238563","7.1767","0.0007","10.1743","0.001","17.115","0.0017","86.172","0.003","85.275","0.002","80.963","0.004","1228.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>'-[(<i>E</i>)-1-(2-Hydroxyphenyl)ethylidene]pyrazine-2-carbohydrazide","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C52 H48 N16 O8 -","4","2","SU2634","Hameed, Shahid; Ahmad, Mushtaq; Tahir, M. Nawaz; Israr, Muhammad; Anwar, Muhammad","<i>N</i>'-[(<i>E</i>)-1-(2-Hydroxyphenyl)ethylidene]pyrazine-2-carbohydrazide","Acta Crystallographica Section E","2013","69","9","o1419","","10.1107/S1600536813022137","","","0.71073","MoKα","","0.1149","0.0502","","","0.1089","0.1383","","","","","","1.003","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238564","8.7097","0.0002","12.6456","0.0003","13.5477","0.0004","83.865","0.001","79.008","0.001","86.776","0.001","1455.39","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","6-Ferrocenoyl-7-(4-fluorophenyl)spiro[hexahydropyrrolo[1,2-<i>c</i>][1,3]thiazole-5,11'-indeno[1,2-<i>b</i>]quinoxaline]","","- C37 H28 F Fe N3 O S -","- C37 H28 F Fe N3 O S -","- C74 H56 F2 Fe2 N6 O2 S2 -","2","1","SU2635","Suhitha, Sivasubramanian; Gunasekaran, Krishnaswamy; Gavaskar, Deivasigamani; Raghunathan, Raghavachary; Velmurugan, Devadasan","6-Ferrocenoyl-7-(4-fluorophenyl)spiro[hexahydropyrrolo[1,2-<i>c</i>][1,3]thiazole-5,11'-indeno[1,2-<i>b</i>]quinoxaline]","Acta Crystallographica Section E","2013","69","9","m501","","10.1107/S1600536813022617","","","0.71073","MoKα","","0.0425","0.035","","","0.0917","0.0965","","","","","","1.055","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238565","15.1363","0.0005","15.9252","0.0006","10.644","0.0006","90","","133.053","0.001","90","","1874.83","0.14","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-Cyclohexyl-3-ethylsulfinyl-2-(3-fluorophenyl)-1-benzofuran","","- C22 H23 F O2 S -","- C22 H23 F O2 S -","- C88 H92 F4 O8 S4 -","4","1","SU2636","Choi, Hong Dae; Seo, Pil Ja; Lee, Uk","5-Cyclohexyl-3-ethylsulfinyl-2-(3-fluorophenyl)-1-benzofuran","Acta Crystallographica Section E","2013","69","9","o1462","","10.1107/S1600536813023180","","","0.71073","MoKα","","0.0367","0.0321","","","0.071","0.0742","","","","","","1.035","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238566","10.3225","0.0005","16.3159","0.0005","15.4618","0.0008","90","","101.071","0.005","90","","2555.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(4-Hydroxyphenyl)-1<i>H</i>-benzimidazol-3-ium chloride monohydrate","","- C13 H13 Cl N2 O2 -","- C13 H13 Cl N2 O2 -","- C104 H104 Cl8 N16 O16 -","8","1","SU2637","González-Padilla, Jazmin E.; Rosales-Hernández, Martha Cecila; Padilla-Martínez, Itzia I.; García-Báez, Efren V.; Rojas-Lima, Susana","2-(4-Hydroxyphenyl)-1<i>H</i>-benzimidazol-3-ium chloride monohydrate","Acta Crystallographica Section E","2013","69","9","o1485","o1486","10.1107/S1600536813023441","","","0.71073","MoKα","","0.0549","0.0425","","","0.1168","0.124","","","","","","1.064","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238567","12.8719","0.0009","12.5878","0.0008","7.4523","0.0005","90","","90.831","0.003","90","","1207.36","0.14","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","1-[2-(3-Methoxyphenyl)ethyl]pyrrolidine-2,5-dione","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","SU2640","Fatima, Zeenat; Selvakumar, Jayaraman; Srinivasan, Thothadri; Velmurugan, Devadasan","1-[2-(3-Methoxyphenyl)ethyl]pyrrolidine-2,5-dione","Acta Crystallographica Section E","2013","69","9","o1489","","10.1107/S1600536813023751","","","0.71073","MoKα","","0.0398","0.0351","","","0.0921","0.0966","","","","","","1.019","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2238568","9.6472","0.0006","13.8194","0.0008","10.5384","0.0006","90","","114.355","0.003","90","","1279.93","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Methoxyphenyl)-2,6-dimethyl-1,3-dioxan-4-amine","","- C13 H19 N O3 -","- C13 H19 N O3 -","- C52 H76 N4 O12 -","4","1","SU2641","Fatima, Zeenat; Gottimukkal, Rambabu; Reddy, Bandapalli Palakshi; Vijayakumar, Vijayaparthasarathi; Velmurugan, Devadasan","<i>N</i>-(4-Methoxyphenyl)-2,6-dimethyl-1,3-dioxan-4-amine","Acta Crystallographica Section E","2013","69","9","o1490","","10.1107/S1600536813023763","","","0.71073","MoKα","","0.0778","0.0527","","","0.1428","0.1621","","","","","","1.034","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238569","13.447","0.0006","8.4557","0.0004","20.858","0.0009","90","","90.195","0.002","90","","2371.62","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1',1''-Dimethyl-4'-phenyldispiro[11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one","","- C30 H28 N4 O -","- C30 H28 N4 O -","- C120 H112 N16 O4 -","4","1","TK5246","Suresh, J.; Nagalakshmi, R. A.; Malathi, K.; Kumar, R. R.; Lakshman, P. L. N.","1',1''-Dimethyl-4'-phenyldispiro[11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one","Acta Crystallographica Section E","2013","69","9","o1433","","10.1107/S160053681302223X","","","0.71073","MoKα","","0.0829","0.0501","","","0.1195","0.1382","","","","","","1.024","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238570","22.3183","0.0007","14.4411","0.0005","17.2474","0.0006","90","","116.547","0.002","90","","4972.8","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1',1''-Dimethyl-4'-(4-methylphenyl)dispiro[11<i>H</i>-indeno[1,2-b]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one","","- C31 H30 N4 O -","- C31 H30 N4 O -","- C248 H240 N32 O8 -","8","1","TK5247","Nagalakshmi, R. A.; Suresh, J.; Malathi, K.; Kumar, R. Ranjith; Lakshman, P. L. N.","1',1''-Dimethyl-4'-(4-methylphenyl)dispiro[11<i>H</i>-indeno[1,2-b]quinoxaline-11,2'-pyrrolidine-3',3''-piperidin]-4''-one","Acta Crystallographica Section E","2013","69","9","o1466","","10.1107/S1600536813022964","","","0.71073","MoKα","","0.0709","0.0421","","","0.1091","0.1244","","","","","","1.04","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238571","9.569","0.0019","10.615","0.002","12.663","0.003","68.46","0.03","68.31","0.03","79.38","0.03","1109.9","0.5","99","2","99","2","","","","","","","","7","P -1","-P 1","2","","<i>trans</i>-Difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III) perchlorate","","- C20 H20 Cl Cr F2 N4 O4 -","- C20 H20 Cl Cr F2 N4 O4 -","- C40 H40 Cl2 Cr2 F4 N8 O8 -","2","1","TK5248","Moon, Dohyun; Choi, Jong-Ha","<i>trans</i>-Difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III) perchlorate from synchrotron radiation","Acta Crystallographica Section E","2013","69","9","m514","","10.1107/S1600536813023052","","","0.63001","synchrotron","","0.0444","0.036","","","0.0953","0.0988","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238572","6.8555","0.0007","8.291","0.0009","9.576","0.0009","96.032","0.007","106.743","0.008","101.824","0.009","502.28","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Lithium aluminium dimagnesium tetrakismolybdate","","- Al0.5 Li0.5 Mg2 Mo3 O12 -","- Al0.5 Li0.5 Mg2 Mo3 O12 -","- Al Li Mg4 Mo6 O24 -","2","1","WM2760","Ennajeh, Ines; Zid, Mohamed Faouzi; Driss, Ahmed","Li~0.5~Al~0.5~Mg~2~(MoO~4~)~3~","Acta Crystallographica Section E","2013","69","9","i54","i55","10.1107/S1600536813022046","","","0.71073","MoKα","","0.0212","0.0208","","","0.0532","0.0534","","","","","","1.286","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238573","10.2373","0.001","13.8981","0.0015","6.623","0.0006","90","","90","","90","","942.31","0.16","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","Strontium trimanganese tris(orthophosphate)","","- Mn3 O12 P3 Sr -","- Mn3 O12 P3 Sr -","- Mn12 O48 P12 Sr4 -","4","0.25","WM2761","Alhakmi, Ghaleb; Assani, Abderrazzak; Saadi, Mohamed; Follet, Claudine; El Ammari, Lahcen","SrMn^II^~2~Mn^III^(PO~4~)~3~","Acta Crystallographica Section E","2013","69","9","i56","","10.1107/S1600536813020977","","","0.71073","MoKα","","0.0326","0.0249","","","0.0628","0.0657","","","","","","1.042","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238574","20.7162","0.0003","10.159","0.0002","15.5574","0.0003","90","","107.315","0.001","90","","3125.77","0.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Di-μ-chlorido-dichloridobis{8-[2-(dimethylamino)ethylamino]quinoline}dicadmium monohydrate","","- C26 H36 Cd2 Cl4 N6 O -","- C26 H36 Cd2 Cl4 N6 O -","- C104 H144 Cd8 Cl16 N24 O4 -","4","0.5","WM2762","Al-Sudani, Abdul-Razak H.; Kariuki, Benson M.","Di-μ-chlorido-dichloridobis{8-[2-(dimethylamino)ethylamino]quinoline}dicadmium monohydrate","Acta Crystallographica Section E","2013","69","9","m491","m492","10.1107/S160053681302206X","","","0.71073","MoKα","","0.0237","0.0214","","","0.052","0.0533","","","","","","1.056","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238575","13.5059","0.0005","13.5059","0.0005","5.8903","0.0002","90","","90","","120","","930.5","0.06","293","2","293","2","","","","","","","","7","P 63/m","-P 6c","176","","Hexacopper(II) calcium/yttrium tris(arsenate/phosphate) hexahydroxide trihydrate","","- As2.48 Ca0.31 Cu5.7 H12 O21 P0.51 Y0.69 -","- As2.484 Ca0.31 Cu5.7 O20.9998 P0.516 Y0.69 -","- As4.968 Ca0.62 Cu11.4 O41.9996 P1.032 Y1.38 -","2","0.166667","WM2763","Morrison, Shaunna M.; Domanik, Kenneth J.; Origlieri, Marcus J.; Downs, Robert T.","Agardite-(Y), Cu^2+^~6~Y(AsO~4~)~3~(OH)~6~·3H~2~O","Acta Crystallographica Section E","2013","69","9","i61","i62","10.1107/S1600536813023477","","","0.71073","MoKα","","0.0416","0.032","","","0.0813","0.0858","","","","","","1.138","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2238576","10.3038","0.0007","14.0163","0.0011","6.7126","0.0004","90","","90","","90","","969.44","0.12","296","2","296","2","","","","","","","","4","I m m a","-I 2b 2","74","","Barium trimanganese tris(orthophosphate)","","- Ba Mn3 O12 P3 -","- Ba Mn3 O12 P3 -","- Ba4 Mn12 O48 P12 -","4","0.25","WM2767","Assani, Abderrazzak; Saadi, Mohamed; Alhakmi, Ghaleb; Houmadi, Elham; El Ammari, Lahcen","BaMn^II^~2~Mn^III^(PO~4~)~3~","Acta Crystallographica Section E","2013","69","9","i60","","10.1107/S1600536813023106","","","0.71073","MoKα","","0.0244","0.0201","","","0.0527","0.0551","","","","","","1.086","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238577","10.976","0.005","18.029","0.005","9.697","0.005","90","","90.728","0.005","90","","1918.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-[5-(Diphenylamino)thiophen-2-yl]-1-(pyridin-3-yl)prop-2-en-1-one","","- C24 H18 N2 O S -","- C24 H18 N2 O S -","- C96 H72 N8 O4 S4 -","4","1","XU5725","Li, Rui; Li, Dan-Dan; Wu, Jie-Ying","(<i>E</i>)-3-[5-(Diphenylamino)thiophen-2-yl]-1-(pyridin-3-yl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","9","o1405","","10.1107/S1600536813021946","","","0.71069","MoKα","","0.0583","0.0388","","","0.117","0.1377","","","","","","0.947","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238578","8.3121","0.0008","10.3911","0.001","8.3128","0.0008","90","","118.639","0.003","90","","630.15","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl 6-deoxy-6-iodo-2,3-<i>O</i>-isopropylidene-α-<i>D</i>-mannopyranoside","","- C10 H17 I O5 -","- C10 H17 I O5 -","- C20 H34 I2 O10 -","2","1","XU5727","Gültekin, Zeynep; Frey, Wolfgang; Çaylak Delibaş, Nagihan; Hökelek, Tuncer","Methyl 6-deoxy-6-iodo-2,3-<i>O</i>-isopropylidene-α-<small>D</small>-mannopyranoside","Acta Crystallographica Section E","2013","69","9","o1449","o1450","10.1107/S1600536813022629","","","0.71073","MoKα","","0.0163","0.0162","","","0.0424","0.0425","","","","","","1.242","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238579","10.6542","0.0003","11.5152","0.0004","11.6853","0.0004","87.01","0.003","83.703","0.003","71.572","0.002","1351.66","0.08","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","1-{2-(4-Chlorobenzyloxy)-2-[4-(morpholin-4-yl)phenyl]ethyl}-1<i>H</i>-benzimidazole propan-2-ol monosolvate","","- C29 H34 Cl N3 O3 -","- C29 H34 Cl N3 O3 -","- C58 H68 Cl2 N6 O6 -","2","1","XU5728","Özel Güven, Özden; Çapanlar, Seval; Adler, Philip D. F.; Coles, Simon J.; Hökelek, Tuncer","1-{2-(4-Chlorobenzyloxy)-2-[4-(morpholin-4-yl)phenyl]ethyl}-1<i>H</i>-benzimidazole propan-2-ol monosolvate","Acta Crystallographica Section E","2013","69","9","o1437","o1438","10.1107/S1600536813022599","","","0.71073","MoKα","","0.0938","0.0549","","","0.1419","0.1861","","","","","","1.105","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238580","9.374","0.002","17.834","0.005","8.926","0.002","90","","113.5","0.003","90","","1368.4","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[[2-(1,3-thiazol-4-yl)-1<i>H</i>-benzimidazole]manganese(II)]-μ-oxalato]","","- C12 H7 Mn N3 O4 S -","- C12 H7 Mn N3 O4 S -","- C48 H28 Mn4 N12 O16 S4 -","4","1","XU5729","Liang, Peng; Huang, Li-Ning; Yin, Xian-Hong","<i>catena</i>-Poly[[[2-(1,3-thiazol-4-yl)-1<i>H</i>-benzimidazole]manganese(II)]-μ-oxalato]","Acta Crystallographica Section E","2013","69","9","m522","","10.1107/S1600536813023428","","","0.71073","MoKα","","0.0269","0.0242","","","0.0667","0.0685","","","","","","1.077","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238581","6.5043","0.0009","14.6915","0.0019","15.398","0.003","90","","90","","90","","1471.4","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-{[(<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylidene]amino}pyridinium perchlorate","","- C16 H13 Cl N2 O5 -","- C16 H13 Cl N2 O5 -","- C64 H52 Cl4 N8 O20 -","4","1","XU5730","Damous, Maamar; Dénès, George; Bouacida, Sofiane; Hamlaoui, Meriem; Merazig, Hocine; Daran, Jean-Claude","3-{[(<i>E</i>)-(2-Hydroxynaphthalen-1-yl)methylidene]amino}pyridinium perchlorate","Acta Crystallographica Section E","2013","69","9","o1460","o1461","10.1107/S1600536813023015","","","0.71073","MoKα","","0.1528","0.0586","","","0.1027","0.1269","","","","","","0.917","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238582","11.798","0.004","13.893","0.004","19.163","0.006","90","","92.216","0.005","90","","3138.7","1.7","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(2,9-dimethyl-1,10-phenanthrolin-1-ium) 2,5-dicarboxybenzene-1,4-dicarboxylate‒2,9-dimethyl-1,10-phenanthroline‒benzene-1,2,4,5-tetracarboxylic acid (1/2/1)","","- C76 H60 N8 O16 -","- C76 H60 N8 O16 -","- C152 H120 N16 O32 -","2","0.5","XU5731","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","Bis(2,9-dimethyl-1,10-phenanthrolin-1-ium) 2,5-dicarboxybenzene-1,4-dicarboxylate‒2,9-dimethyl-1,10-phenanthroline‒benzene-1,2,4,5-tetracarboxylic acid (1/2/1)","Acta Crystallographica Section E","2013","69","9","o1445","o1446","10.1107/S1600536813022691","","","0.71069","MoKα","","0.0755","0.0617","","","0.1392","0.1476","","","","","","1.114","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238583","10.926","0.005","18.38","0.005","10.345","0.005","90","","107.998","0.005","90","","1975.8","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Ethoxy-<i>N</i>-(4-ethoxyphenyl)-<i>N</i>-(4-nitrophenyl)aniline","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C88 H88 N8 O16 -","4","1","XU5734","Kong, Ming; Hao, Fu-Ying; Li, Dan-Dan; Wu, Jie-Ying","4-Ethoxy-<i>N</i>-(4-ethoxyphenyl)-<i>N</i>-(4-nitrophenyl)aniline","Acta Crystallographica Section E","2013","69","9","o1470","","10.1107/S1600536813023386","","","0.71069","MoKα","","0.102","0.0536","","","0.1464","0.1778","","","","","","0.975","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238584","10.0914","0.0015","8.2388","0.0011","10.7592","0.001","90","","108.913","0.01","90","","846.24","0.19","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3<i>R</i>,3a<i>R</i>,6<i>R</i>,6a<i>R</i>)-Hexahydrofuro[3,2-<i>b</i>]furan-3,6-diyl dibenzoate","","- C20 H18 O6 -","- C20 H18 O6 -","- C40 H36 O12 -","2","1","YK2098","Piccialli, Vincenzo; Zaccaria, Sabrina; Borbone, Nicola; Centore, Roberto; Tuzi, Angela","(3<i>R</i>,3a<i>R</i>,6<i>R</i>,6a<i>R</i>)-Hexahydrofuro[3,2-<i>b</i>]furan-3,6-diyl dibenzoate","Acta Crystallographica Section E","2013","69","9","o1396","o1397","10.1107/S1600536813021612","","","0.71073","MoKα","","0.0472","0.0346","","","0.0677","0.0726","","","","","","1.11","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238585","8.6367","0.0014","31.515","0.005","12.696","0.002","90","","100.155","0.002","90","","3401.5","0.9","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(2,2'-Bipyridine)chlorido[diethyl (2,2':6',2''-terpyridin-4-yl)phosphonate]ruthenium(II) hexafluoridophosphate acetonitrile/water solvate","","- C30.66 H31.17 Cl F6 N5.83 O3.34 P2 Ru -","- C30.662 H31.169 Cl F6 N5.831 O3.338 P2 Ru -","- C122.648 H124.676 Cl4 F24 N23.324 O13.352 P8 Ru4 -","4","1","ZL2555","Chen, Weizhong; Rein, Francisca N.; Scott, Brian L.; Rocha, Reginaldo C.","(2,2'-Bipyridine)chlorido[diethyl (2,2':6',2''-terpyridin-4-yl)phosphonate]ruthenium(II) hexafluoridophosphate acetonitrile/water solvate","Acta Crystallographica Section E","2013","69","9","m510","m511","10.1107/S1600536813022940","","","0.71073","MoKα","","0.0792","0.0623","","","0.1336","0.1409","","","","","","1.137","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238586","6.3596","0.0019","18.495","0.003","8.3875","0.0015","90","","92.521","0.018","90","","985.6","0.4","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","Epibisdehydroneotuberostemonine J","(9<i>R</i>,10<i>R</i>,11<i>S</i>,14<i>S</i>,15<i>R</i>)-3-[(2<i>S</i>,5<i>S</i>)-4,5-dimethyloxolan-2-yl]-10-ethyl-14-methyl-12-oxa-4-azatetracyclo[7.6.1.0^4,16^.0^11,15^]hexadeca-1(16),2-dien-13-one","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C44 H58 N2 O8 -","2","1","ZL2558","Jin, Lu; Zhang, Rong-Rong; Tian, Hai-Yan; But, Paul Pui-Hay; Jiang, Ren-Wang","Epibisdehydroneotuberostemonine J","Acta Crystallographica Section E","2013","69","9","o1369","o1370","10.1107/S1600536813021077","","","0.71073","MoKα","","0.0767","0.0448","","","0.0818","0.0932","","","","","","1.053","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238587","12.2098","0.00012","12.2098","0.00012","16.2811","0.0003","90","","90","","90","","2427.17","0.06","100.6","0.9","100.6","0.9","","","","","","","","4","P 42/n","-P 4bc","86","","Bis[bis(pentamethylcyclopentadienyl)cobalt(III)] tetrachloridocobaltate(II) dichloromethane disolvate","","- C42 H64 Cl8 Co3 -","- C42 H64 Cl8 Co3 -","- C84 H128 Cl16 Co6 -","2","","ZL2564","Merola, Joseph S.; Ngo, Mai; Karpin, George W.","Bis[bis(pentamethylcyclopentadienyl)cobalt(III)] tetrachloridocobaltate(II) dichloromethane disolvate","Acta Crystallographica Section E","2013","69","9","m504","","10.1107/S160053681302254X","","","0.7107","MoKα","","0.0501","0.0367","","","0.0835","0.0909","","","","","","1.04","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238588","5.314","0.001","13.745","0.002","18.58","0.004","90","","93.66","0.02","90","","1354.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Ethylenediaminium bis(2-benzamidobenzoate)","","- C30 H30 N4 O6 -","- C30 H30 N4 O6 -","- C60 H60 N8 O12 -","2","0.5","ZQ2204","Ziyaev, Mavlonbek; Ashurov, Jamshid; Talipov, Samat; Ibragimov, Bakhtiyar","1,2-Ethylenediaminium bis(2-benzamidobenzoate)","Acta Crystallographica Section E","2013","69","9","o1388","","10.1107/S1600536813021028","","","1.54184","CuKα","","0.0663","0.0422","","","0.1071","0.1169","","","","","","0.945","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2238589","18.0277","0.001","13.0448","0.0005","12.807","0.0005","90","","121.738","0.005","90","","2561.4","0.2","223.15","","223.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')nickel(II) propane-1,2-diol monosolvate","","- C27 H24 N4 Ni O6 S -","- C27 H24 N4 Ni O6 S -","- C108 H96 N16 Ni4 O24 S4 -","4","0.5","ZQ2207","Zhong, Kai-Long; Duan, Cheng-Xian","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')nickel(II) propane-1,2-diol monosolvate","Acta Crystallographica Section E","2013","69","9","m506","m507","10.1107/S1600536813023027","","","0.71073","MoKα","","0.0404","0.0342","","","0.0799","0.0843","","","","","","1.008","","","","has coordinates,has disorder,has Fobs","176798","2020-10-21","18:00:00",""
"2238590","12.3826","0.0006","11.0048","0.0004","14.4485","0.0006","90","","107.037","0.001","90","","1882.47","0.14","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diaquatetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)magnesium dichloride","","- C12 H20 Cl2 Mg N8 O2 -","- C12 H20 Cl2 Mg N8 O2 -","- C48 H80 Cl8 Mg4 N32 O8 -","4","0.5","ZS2271","Kayalvizhi, M.; Vasuki, G.; Kaabi, Kamel; Ben Nasr, Cherif","Diaquatetrakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)magnesium dichloride","Acta Crystallographica Section E","2013","69","9","m481","","10.1107/S1600536813021478","","","0.71073","MoKα","","0.0278","0.0248","","","0.0655","0.0678","","","","","","1.054","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238591","11.732","0.002","8.6513","0.0017","9.879","0.002","90","","90","","90","","1002.7","0.3","153","2","153","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","<i>tert</i>-Butyl <i>N</i>-(thiophen-2-yl)carbamate","","- C9 H13 N O2 S -","- C9 H13 N O2 S -","- C36 H52 N4 O8 S4 -","4","1","ZS2273","Hsu, Gene C.; Singer, Laci M.; Cordes, David B.; Findlater, Michael","<i>tert</i>-Butyl <i>N</i>-(thiophen-2-yl)carbamate","Acta Crystallographica Section E","2013","69","9","o1413","","10.1107/S160053681302196X","","","0.71073","MoKα","","0.0447","0.034","","","0.0731","0.0777","","","","","","1.039","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238592","7.7005","0.0002","23.3452","0.0008","9.7016","0.0003","90","","110.349","0.002","90","","1635.21","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(7-Chloro-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","","- C15 H16 Cl N O2 S2 -","- C15 H16 Cl N O2 S2 -","- C60 H64 Cl4 N4 O8 S8 -","4","1","ZS2274","Meenakshi, T. G.; Shylajakumari, J.; Devarajegowda, H. C.; Kumar, K. Mahesh; Kotresh, O.","(7-Chloro-2-oxo-2<i>H</i>-chromen-4-yl)methyl diethylcarbamodithioate","Acta Crystallographica Section E","2013","69","9","o1431","o1432","10.1107/S160053681302240X","","","0.71073","MoKα","","0.0477","0.0386","","","0.0877","0.0914","","","","","","1.082","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238593","10.782","0.005","10.998","0.005","8.951","0.004","90","","107.215","0.007","90","","1013.9","0.8","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aminobenzoic acid‒4,4'-bipyridine (2/1)","","- C24 H22 N4 O4 -","- C24 H22 N4 O4 -","- C48 H44 N8 O8 -","2","0.5","ZS2276","Arman, Hadi D.; Tiekink, Edward R. T.","2-Aminobenzoic acid‒4,4'-bipyridine (2/1)","Acta Crystallographica Section E","2013","69","9","o1447","","10.1107/S160053681302271X","","","0.71069","MoKα","","0.0745","0.0606","","","0.1493","0.1585","","","","","","1.113","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2238594","10.7471","0.0013","13.3261","0.0016","15.5792","0.0019","90","","95.735","0.002","90","","2220","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Amino-5-methyl-3-(2-oxo-2-phenylethyl)-7-phenyl-4,5,6,7-tetrahydro-3<i>H</i>-[1,2,4]triazolo[1,5-<i>a</i>]pyrimidin-8-ium bromide ethanol monosolvate","","- C22 H28 Br N5 O2 -","- C22 H28 Br N5 O2 -","- C88 H112 Br4 N20 O8 -","4","1","AA2095","Chernyshev, Victor M.; Pyatakov, Dmitriy A.; Suponitsky, Kyrill Yu.","2-Amino-5-methyl-3-(2-oxo-2-phenylethyl)-7-phenyl-4,5,6,7-tetrahydro-3<i>H</i>-[1,2,4]triazolo[1,5-<i>a</i>]pyrimidin-8-ium bromide ethanol monosolvate","Acta Crystallographica Section E","2013","69","10","o1586","o1587","10.1107/S1600536813025853","","","0.71073","MoKα","","0.047","0.0319","","","0.0748","0.0821","","","","","","1.011","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238595","12.3802","0.0007","18.3516","0.001","17.3596","0.0009","90","","102.749","0.001","90","","3846.8","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>rac</i>-Methyl (3a<i>R*</i>,4<i>S*</i>,5<i>R*</i>,7a<i>R*</i>)-5,7a-bis(acetyloxy)-3-oxo-2-phenyloctahydro-1<i>H</i>-isoindole-4-carboxylate","","- C20 H23 N O7 -","- C20 H23 N O7 -","- C160 H184 N8 O56 -","8","1","AA2096","Toze, Flavien A. A.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Khrustalev, Victor N.","<i>rac</i>-Methyl (3a<i>R*</i>,4<i>S*</i>,5<i>R*</i>,7a<i>R*</i>)-5,7a-bis(acetyloxy)-3-oxo-2-phenyloctahydro-1<i>H</i>-isoindole-4-carboxylate","Acta Crystallographica Section E","2013","69","10","o1555","","10.1107/S1600536813025129","","","0.71073","MoKα","","0.0561","0.0412","","","0.1019","0.1083","","","","","","1.038","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238596","10.745","0.0002","10.1737","0.0002","21.6588","0.0004","90","","90","","90","","2367.66","0.08","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-(2-Methylbenzoyl)benzoic acid","","- C15 H12 O3 -","- C15 H12 O3 -","- C120 H96 O24 -","8","1","BG2513","Platosz, Natalia A.; Lalancette, Roger A.; Thompson, Hugh W.; Newman, Jacob M.; Schachter, Ari","2-(2-Methylbenzoyl)benzoic acid: catemeric hydrogen bonding in a γ-keto acid","Acta Crystallographica Section E","2013","69","10","o1547","o1548","10.1107/S1600536813025099","","","1.54178","CuKα","","0.031","0.03","","","0.075","0.076","","","","","","1.07","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238597","7.7319","0.0014","13.491","0.002","11.913","0.002","90","","102.625","0.003","90","","1212.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one","","- C14 H11 N O Se -","- C14 H11 N O Se -","- C56 H44 N4 O4 Se4 -","4","1","BG2515","Zhu, Xu; Xu, Ying; Han, Hongfei; Guo, Zhiqiang; Wei, Xuehong","<i>N</i>-(2-Methylphenyl)-1,2-benzoselenazol-3(2<i>H</i>)-one","Acta Crystallographica Section E","2013","69","10","o1538","","10.1107/S1600536813024744","","","0.71073","MoKα","","0.0494","0.0413","","","0.0914","0.0949","","","","","","1.103","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238598","7.286","0.004","15.148","0.008","25.84","0.014","90","","90","","90","","2852","3","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","3-Chloro-<i>N</i>-[<i>N</i>-(furan-2-carbonyl)hydrazinocarbothioyl]benzamide","","- C13 H10 Cl N3 O3 S -","- C13 H10 Cl N3 O3 S -","- C104 H80 Cl8 N24 O24 S8 -","8","1","BG2516","Yamin, Bohari M.; Yusof, Diyana; Hasbullah, Siti Aishah","3-Chloro-<i>N</i>-[<i>N</i>-(furan-2-carbonyl)hydrazinocarbothioyl]benzamide","Acta Crystallographica Section E","2013","69","10","o1567","","10.1107/S1600536813025440","","","0.71073","MoKα","","0.0733","0.0446","","","0.101","0.1165","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238599","8.847","0.0003","20.5656","0.0008","20.6403","0.0009","90","","98.633","0.002","90","","3712.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,4-Bis(4-fluorophenyl)-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-one","","- C22 H23 F2 N O -","- C22 H23 F2 N O -","- C176 H184 F16 N8 O8 -","8","2","BH2483","Rizwana Begum, S.; Hema, R.; Venkateswaramoorthi, R.; Krishnasamy, K.; Anitha, A. G.","2,4-Bis(4-fluorophenyl)-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-one","Acta Crystallographica Section E","2013","69","10","o1525","","10.1107/S1600536813024689","","","0.71073","MoKα","","0.083","0.0433","","","0.1016","0.1251","","","","","","1.006","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238600","31.6964","0.0006","11.0325","0.0002","14.1965","0.0003","90","","96.503","0.001","90","","4932.44","0.17","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Methyl 9-hydroxy-15-methyl-2-oxo-11-(pyren-1-yl)-10-oxa-15-azatetracyclo[7.6.0.0^1,12^.0^3,8^]pentadeca-3(8),4,6-triene-12-carboxylate","","","- C32 H25 N O5 -","- C32 H25 N O5 -","- C256 H200 N8 O40 -","8","1","BT6925","Sharmila, P.; Jagadeesan, G.; Raju, Rajesh; Raghavachary, Raghunathan; Aravindhan, S.","Methyl 9-hydroxy-15-methyl-2-oxo-11-(pyren-1-yl)-10-oxa-15-azatetracyclo[7.6.0.0^1,12^.0^3,8^]pentadeca-3(8),4,6-triene-12-carboxylate","Acta Crystallographica Section E","2013","69","10","o1569","","10.1107/S1600536813024951","","","0.71073","MoKα","","0.0651","0.0413","","","0.1013","0.1142","","","","","","1.035","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238601","8.363","0.005","10.267","0.005","10.481","0.005","75.043","0.005","75.789","0.005","74.576","0.005","822.9","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","1-(3,5-Dimethoxyphenyl)-4,5-dimethyl-2-phenyl-1<i>H</i>-imidazole","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C38 H40 N4 O4 -","2","1","BT6926","Divya, G.; Saravanan, K.; Santhiya, S.; Chandralekha, K.; Lakshmi, S.","1-(3,5-Dimethoxyphenyl)-4,5-dimethyl-2-phenyl-1<i>H</i>-imidazole","Acta Crystallographica Section E","2013","69","10","o1502","","10.1107/S1600536813023684","","","0.71073","MoKα","","0.0538","0.0416","","","0.1152","0.1262","","","","","","1.03","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238602","7.5193","0.0003","9.7278","0.0004","20.7616","0.0007","90","","93.659","0.003","90","","1515.54","0.1","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(3a<i>R</i>,6<i>S</i>,7a<i>R</i>)-7a-Chloro-2-[(4-nitrophenyl)sulfonyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole","(3a<i>R</i>,6<i>S</i>,7a<i>R</i>)-7a-Chloro-2-[(4-nitrophenyl)sulfonyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole","","- C14 H13 Cl N2 O5 S -","- C14 H13 Cl N2 O5 S -","- C56 H52 Cl4 N8 O20 S4 -","4","1","BT6932","Temel, Ersin; Demircan, Aydın; Kandemir, Muhammet Kasım; Çolak, Medine; Büyükgüngör, Orhan","(3a<i>R</i>,6<i>S</i>,7a<i>R</i>)-7a-Chloro-2-[(4-nitrophenyl)sulfonyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole","Acta Crystallographica Section E","2013","69","10","o1551","o1552","10.1107/S1600536813025336","","","0.71073","MoKα","","0.062","0.0364","","","0.1042","0.1104","","","","","","1.029","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238603","8.0294","0.0006","12.0187","0.0006","16.2151","0.0008","105.764","0.004","100.835","0.005","94.965","0.005","1463.34","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","{2-[1-(2-Methoxy-6-oxidophenyl-κ<i>O</i>^6^)ethylidene]-<i>N</i>-methylhydrazinecarbothioamidato-κ^2^<i>N</i>^2^,<i>S</i>}(triphenylphosphane-κ<i>P</i>)palladium(II) ethanol monosolvate","","- C31 H34 N3 O3 P Pd S -","- C31 H34 N3 O3 P Pd S -","- C62 H68 N6 O6 P2 Pd2 S2 -","2","1","BV2224","Anderson, Brian J.; O'Rourke, Kelly A.; Keeler, Alexander M.; Jasinski, Jerry P.","{2-[1-(2-Methoxy-6-oxidophenyl-κ<i>O</i>^6^)ethylidene]-<i>N</i>-methylhydrazinecarbothioamidato-κ^2^<i>N</i>^2^,<i>S</i>}(triphenylphosphane-κ<i>P</i>)palladium(II) ethanol monosolvate","Acta Crystallographica Section E","2013","69","10","m528","m529","10.1107/S1600536813023040","","","0.71073","MoKα","","0.0595","0.0488","","","0.1186","0.1281","","","","","","1.098","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238604","11.9706","0.0005","13.7518","0.0007","16.9887","0.0008","90","","109.396","0.002","90","","2637.9","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-(2,6-Bis{[3-(dimethylamino)propyl]iminomethyl}-4-methylphenolato)-μ-hydroxido-bis[(thiocyanato-κ<i>N</i>)copper(II)]","","- C21 H32 Cu2 N6 O2 S2 -","- C21 H32 Cu2 N6 O2 S2 -","- C84 H128 Cu8 N24 O8 S8 -","4","1","BX2448","Meera, M. G.; Selvaraj, P. Kamatchi; Viswanathan, B.; Ramkumar, V.","μ-(2,6-Bis{[3-(dimethylamino)propyl]iminomethyl}-4-methylphenolato)-μ-hydroxido-bis[(thiocyanato-κ<i>N</i>)copper(II)]","Acta Crystallographica Section E","2013","69","10","m542","m543","10.1107/S1600536813024768","","","0.71073","MoKα","","0.0478","0.0355","","","0.0905","0.1006","","","","","","1.009","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238605","7.1932","0.0007","10.0572","0.001","13.8729","0.0013","90","","93.673","0.005","90","","1001.55","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5,6-dimethyl-1,10-phenanthroline","5,6-Dimethyl-1,10-phenanthroline","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","BX2451","Rozenel, Sergio S.","5,6-Dimethyl-1,10-phenanthroline","Acta Crystallographica Section E","2013","69","10","o1560","","10.1107/S1600536813025087","","","0.71073","MoKα","","0.0404","0.0348","","","0.0957","0.1","","","","","","1.056","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238606","18.768","0.003","6.489","0.0009","18.681","0.003","90","","103.896","0.01","90","","2208.5","0.6","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Bis((<i>E</i>)-2-{3-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)styryl]-5,5-dimethylcyclohex-2-enylidene}malononitrile)diiodidomercury(II)","","- C44 H40 Hg I2 N8 -","- C44 H40 Hg I2 N8 -","- C88 H80 Hg2 I4 N16 -","2","0.5","CQ2006","Xi, Wen-Gang; Wu, Zhi-Chao; Zhou, Hong-Ping","Bis((<i>E</i>)-2-{3-[4-(1<i>H</i>-imidazol-1-yl-κ<i>N</i>^3^)styryl]-5,5-dimethylcyclohex-2-enylidene}malononitrile)diiodidomercury(II)","Acta Crystallographica Section E","2013","69","10","m548","","10.1107/S1600536813025191","","","0.71069","MoKα","","0.0384","0.036","","","0.0895","0.092","","","","","","1.035","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238607","9.0299","0.0006","11.4718","0.0008","17.9652","0.0013","92.946","0.003","95.521","0.004","91.204","0.003","1849.3","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2,2'-{[(1<i>E</i>,1'<i>E</i>)-(Cyclohexane-1,4-diyl)bis(azanylylidene)]bis(ethan-1-yl-1-ylidene)}diphenol","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C88 H104 N8 O8 -","4","2","CV5426","Lakshmi, S. H. Anjana; Kandaswamy, M.; Ramkumar, V.","2,2'-{[(1<i>E</i>,1'<i>E</i>)-(Cyclohexane-1,4-diyl)bis(azanylylidene)]bis(ethan-1-yl-1-ylidene)}diphenol","Acta Crystallographica Section E","2013","69","10","o1593","","10.1107/S1600536813026123","","","0.71073","MoKα","","0.1121","0.0603","","","0.1699","0.2389","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2238608","9.3113","0.0009","10.6511","0.001","15.3962","0.0015","95.242","0.002","103.085","0.002","95.492","0.002","1470.4","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","4,6-Di-<i>tert</i>-butyl-2,3-dihydroxybenzaldehyde","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","CV5427","Arsenyev, Max; Baranov, Eugene; Chesnokov, Sergey; Abakumov, Gleb","4,6-Di-<i>tert</i>-butyl-2,3-dihydroxybenzaldehyde","Acta Crystallographica Section E","2013","69","10","o1565","","10.1107/S1600536813025488","","","0.71073","MoKα","","0.0637","0.0463","","","","0.1299","","","","","","1.064","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238609","8.267","0.001","7.994","0.001","17.582","0.003","90","","98.98","0.02","90","","1147.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dipentyl 2,6-diaminobenzo[1,2-<i>b</i>:4,5-<i>b</i>']difuran-3,7-dicarboxylate","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C44 H56 N4 O12 -","2","0.5","DS2234","Roviello, Giuseppina; Borbone, Fabio; Carella, Antonio; Roviello, Giovanni N.; Tuzi, Angela","Dipentyl 2,6-diaminobenzo[1,2-<i>b</i>:4,5-<i>b</i>']difuran-3,7-dicarboxylate","Acta Crystallographica Section E","2013","69","10","o1526","o1527","10.1107/S160053681302480X","","","0.71073","MoKα","","0.1598","0.0548","","","0.1065","0.1343","","","","","","0.931","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238610","12.43478","0.00012","12.43478","0.00012","3.93697","0.00006","90","","90","","90","","608.749","0.012","100","1","100","1","","","","","","","","4","P 4 b m","P 4 -2ab","100","SBN60","Strontium barium niobium oxide","","- Ba0.4 Nb2 O6 Sr0.6 -","- Ba0.4 Nb2 O6 Sr0.6 -","- Ba2 Nb10 O30 Sr3 -","5","0.625","FF2110","Stachowicz, Marcin; Gawryszewska, Olga; Swirkowicz, Marek A.; Lukasiewicz, Tadeusz","SBN60, strontium-barium niobate at 100K","Acta Crystallographica Section E","2013","69","10","i69","i70","10.1107/S1600536813025142","","","0.71073","MoKα","","0.0286","0.0274","","","0.0734","0.0741","","","","","","1.161","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2238611","6.2598","0.0004","9.2822","0.0006","16.0437","0.0012","84.387","0.006","88.957","0.006","79.358","0.006","911.79","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>tert</i>-Butyl <i>N</i>-{[5-(5-oxohexanamido)pyridin-2-yl]amino}carbamate","","- C16 H24 N4 O4 -","- C16 H24 N4 O4 -","- C32 H48 N8 O8 -","2","1","FF2115","Ronga, Luisa; Pinaud, Noel; Rimbault, Charlotte; Marchivie, Mathieu; Guillon, Jean","<i>tert</i>-Butyl <i>N</i>-{[5-(5-oxohexanamido)pyridin-2-yl]amino}carbamate","Acta Crystallographica Section E","2013","69","10","o1531","o1532","10.1107/S1600536813024598","","","0.71073","MoKα","","0.0915","0.0525","","","0.1255","0.1473","","","","","","1.04","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238612","8.058","0.001","8.2629","0.0011","12.0972","0.0014","74.956","0.002","73.868","0.001","72.311","0.001","723.54","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3,22-Dioxa-11,14-diazapentacyclo[12.8.0.0^2,11^.0^5,10^.0^15,20^]docosa-5(10),6,8,15(20),16,18-hexaene-4,21-dione","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C36 H28 N4 O8 -","2","1","FF2118","Ren, Xiaolin; Feng, Jiao; Wang, Jinglin; Liu, Bin; Yang, Binsheng","3,22-Dioxa-11,14-diazapentacyclo[12.8.0.0^2,11^.0^5,10^.0^15,20^]docosa-5(10),6,8,15(20),16,18-hexaene-4,21-dione","Acta Crystallographica Section E","2013","69","10","o1535","","10.1107/S1600536813024537","","","0.71073","MoKα","","0.1086","0.051","","","0.0867","0.0979","","","","","","1.013","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238613","5.9686","0.0004","18.7567","0.0013","20.1089","0.0013","90","","100.932","0.0018","90","","2210.4","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","9-[(<i>E</i>)-2-(4-Chlorophenyl)ethenyl]-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthene-1,8-dione","","- C25 H27 Cl O3 -","- C25 H27 Cl O3 -","- C100 H108 Cl4 O12 -","4","1","FF2119","Yu, Byung-Yong; Lee, Jae Kyun; Cho, Yong Seo; Min, Sun-Joon; Woo, Jae Chun","9-[(<i>E</i>)-2-(4-Chlorophenyl)ethenyl]-3,3,6,6-tetramethyl-2,3,4,5,6,7,8,9-octahydro-1<i>H</i>-xanthene-1,8-dione","Acta Crystallographica Section E","2013","69","10","o1542","","10.1107/S1600536813025026","","","0.71075","MoKα","","","0.0571","","","","0.1938","","","","","","1.114","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238614","12.5312","0.0005","7.4562","0.0003","13.8913","0.0005","90","","112.331","0.004","90","","1200.6","0.09","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(2-Bromophenyl)-1,3-selenazolo[5,4-<i>b</i>]pyridin-2-amine","","- C12 H8 Br N3 Se -","- C12 H8 Br N3 Se -","- C48 H32 Br4 N12 Se4 -","4","1","FJ2639","Bo, Zhou; Du Shu, Huang; Wei, Liu; Mei Yun, Zhou","<i>N</i>-(2-Bromophenyl)-1,3-selenazolo[5,4-<i>b</i>]pyridin-2-amine","Acta Crystallographica Section E","2013","69","10","o1537","","10.1107/S1600536813023969","","","1.54178","CuKα","","0.0541","0.052","","","0.1291","0.1319","","","","","","1.105","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238615","7.87","0.0016","10.09","0.002","10.25","0.002","81.36","0.03","73.13","0.03","74.64","0.03","748.7","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-(3-Carboxylatophenyl)-4,4'-bipyridin-1-ium dihydrate","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C34 H32 N4 O8 -","2","1","FJ2640","Fan, Mengchan; Yao, Zhenguo; Li, Chen; Fu, Zhiyong","1-(3-Carboxylatophenyl)-4,4'-bipyridin-1-ium dihydrate","Acta Crystallographica Section E","2013","69","10","o1503","","10.1107/S1600536813024197","","","0.71073","MoKα","","0.0548","0.0415","","","0.144","0.1723","","","","","","1.183","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238616","16.347","0.004","5.0859","0.001","18.408","0.005","90","","115.311","0.009","90","","1383.5","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-{(<i>E</i>)-[2-(Pyridin-3-ylcarbonyl)hydrazinylidene]methyl}phenyl acetate","","- C15 H13 N3 O3 -","- C15 H13 N3 O3 -","- C60 H52 N12 O12 -","4","1","FJ2641","Datta, Riya; Ramya, V.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","4-{(<i>E</i>)-[2-(Pyridin-3-ylcarbonyl)hydrazinylidene]methyl}phenyl acetate","Acta Crystallographica Section E","2013","69","10","o1549","","10.1107/S1600536813025075","","","0.71073","MoKα","","0.0757","0.0485","","","0.1225","0.1403","","","","","","1.037","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238617","12.7407","0.0011","10.5126","0.0008","22.955","0.002","90","","100.461","0.003","90","","3023.4","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","6-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1H-benzimidazole (0.94/0.06)","5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole‒\ 6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole (0.94/0.06)","","- C16 H11 Cl N2 S2 -","- C16 H11 Cl N2 S2 -","- C128 H88 Cl8 N16 S16 -","8","2","FJ2642","Geiger, David K.; Nellist, Michael R.","5-Chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole‒6-chloro-2-(thiophen-2-yl)-1-(thiophen-2-ylmethyl)-1<i>H</i>-benzimidazole (0.94/0.06)","Acta Crystallographica Section E","2013","69","10","o1539","o1540","10.1107/S1600536813024999","","","0.71073","MoKα","","0.0517","0.0381","","","0.0876","0.0926","","","","","","1.079","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238618","8.476","0.004","5.264","0.003","28.295","0.013","90","","93.589","0.009","90","","1260","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-Benzyl-5-methoxyisoindoline-1,3-dione","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C64 H52 N4 O12 -","4","1","FY2100","Vila, Noemi; Costas-Lago, María Carmen; Besada, Pedro; Terán, Carmen","2-Benzyl-5-methoxyisoindoline-1,3-dione","Acta Crystallographica Section E","2013","69","10","o1594","o1595","10.1107/S160053681302638X","","","0.71073","MoKα","","0.0952","0.0533","","","0.1174","0.1374","","","","","","1.002","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238619","15.127","0.003","11.067","0.002","15.821","0.003","90","","115.71","0.03","90","","2386.4","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Di-μ-methanolato-bis[(2-<i>tert</i>-butyl-6-methylphenolato-κ<i>O</i>)methyltitanium(IV)]","","- C48 H72 O6 Ti2 -","- C48 H72 O6 Ti2 -","- C96 H144 O12 Ti4 -","2","0.5","GG2122","Nielson, Alastair J.; Shen, Chaohong; Waters, Joyce M.","Di-μ-methanolato-bis[(2-<i>tert</i>-butyl-6-methylphenolato-κ<i>O</i>)methyltitanium(IV)]","Acta Crystallographica Section E","2013","69","10","m554","m555","10.1107/S1600536813025634","","","0.71073","MoKα","","0.0435","0.0344","","","0.084","0.0889","","","","","","1.044","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238620","4.3198","0.0009","7.4921","0.0017","13.225","0.003","93.612","0.012","93.912","0.012","103.769","0.012","413.36","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,3,4,5,6-Pentafluoro-<i>trans</i>-cinnamic acid","(<i>E</i>)-3-(2,3,4,5,6-Pentafluorophenyl)prop-2-enoic acid","","- C9 H3 F5 O2 -","- C9 H3 F5 O2 -","- C18 H6 F10 O4 -","2","1","GG2124","Navarrete, Angélica; Somanathan, Ratnasamy; Aguirre, Gerardo","2,3,4,5,6-Pentafluoro-<i>trans</i>-cinnamic acid","Acta Crystallographica Section E","2013","69","10","o1519","","10.1107/S1600536813024513","","","0.71073","MoKα","","0.0397","0.0311","","","0.0933","0.1041","","","","","","0.702","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238621","17.5488","0.0014","11.936","0.0011","13.0663","0.0009","90","","120.664","0.005","90","","2354.2","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) ethanol monosolvate","","- C26 H20 Cu N4 O5 S -","- C26 H20 Cu N4 O5 S -","- C104 H80 Cu4 N16 O20 S4 -","4","1","GG2128","Meundaeng, Natthaya; Prior, Timothy J.; Rujiwatra, Apinpus","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)copper(II) ethanol monosolvate","Acta Crystallographica Section E","2013","69","10","m568","m569","10.1107/S1600536813026093","","","0.71073","MoKα","","0.0777","0.0578","","","0.1489","0.1595","","","","","","1.01","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238622","7.038","0.0005","12.8072","0.0009","11.3701","0.0009","90","","97.819","0.006","90","","1015.34","0.13","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2-nitrophenyl)-2-furancarboxamide","<i>N</i>-(2-Nitrophenyl)furan-2-carboxamide","","- C11 H8 N2 O4 -","- C11 H8 N2 O4 -","- C44 H32 N8 O16 -","4","1","GG2129","Moreno-Fuquen, Rodolfo; Azcárate, Alexis; Kennedy, Alan R.; Gilmour, Denise; De Almeida Santos, Regina H.","<i>N</i>-(2-Nitrophenyl)furan-2-carboxamide","Acta Crystallographica Section E","2013","69","10","o1592","","10.1107/S1600536813026202","","","0.71073","MoKα","","0.0498","0.0392","","","0.0906","0.0986","","","","","","1.04","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238623","8.2099","0.0007","13.8928","0.0012","15.0495","0.0014","90","","92.327","0.003","90","","1715.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(1-Allyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide hemihydrate","","- C34 H36 N6 O7 S2 -","- C34 H36 N6 O7 S2 -","- C68 H72 N12 O14 S4 -","2","0.5","GK2590","Chicha, Hakima; Rakib, El Mostapha; Geffken, Detlef; Saadi, Mohamed; El Ammari, Lahcen","<i>N</i>-(1-Allyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide hemihydrate","Acta Crystallographica Section E","2013","69","10","o1589","o1590","10.1107/S1600536813025543","","","0.71073","MoKα","","0.069","0.0422","","","0.1034","0.119","","","","","","1.009","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238624","8.617","0.004","20.438","0.005","15.038","0.005","90","","106.27","0.02","90","","2542.3","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Acetyl-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)-<i>N</i>-methyl-2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide","","- C29 H25 N5 O3 -","- C29 H25 N5 O3 -","- C116 H100 N20 O12 -","4","1","HB7092","Meneghetti, Fiorella; Maggio, Benedetta","<i>N</i>-(4-Acetyl-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)-<i>N</i>-methyl-2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)benzamide","Acta Crystallographica Section E","2013","69","10","o1582","","10.1107/S1600536813025683","","","0.71073","MoKα","","0.2675","0.0472","","","0.0787","0.1196","","","","","","0.92","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238625","19.6219","0.0013","8.1603","0.0006","15.2396","0.001","90","","95.95","0.003","90","","2427","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>-(2-Fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine","","- C12 H16 F N O2 -","- C12 H16 F N O2 -","- C96 H128 F8 N8 O16 -","8","1","HB7132","Fatima, Zeenat; Rambabu, Gottimukkala; Reddy, Bandapalli Palakshi; Vijayakumar, Vijayaparthasarathi; Velmurugan, Devadasan","<i>N</i>-(2-Fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine","Acta Crystallographica Section E","2013","69","10","o1524","","10.1107/S1600536813024732","","","0.71073","MoKα","","0.0685","0.0437","","","0.1181","0.137","","","","","","1.032","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238626","8.2925","0.0001","13.5841","0.0002","19.2995","0.0003","90","","98.797","0.001","90","","2148.44","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dihydrocyclam dimaleate","1,4,8,11-Tetraazacyclotetradecane-1,8-diium bis(3-carboxyprop-2-enoate)","","- C18 H32 N4 O8 -","- C18 H32 N4 O8 -","- C72 H128 N16 O32 -","4","1","HB7135","Mireille Ninon, Mbonzi Ombenga; Fahim, Mohammed; Lachkar, Mohammed; Marco Contelles, José Luis; Perles, Josefina; El Bali, Brahim","Dihydrocyclam dimaleate [H~2~(cyclam)(maleate)~2~]","Acta Crystallographica Section E","2013","69","10","o1574","o1575","10.1107/S1600536813025580","","","1.54178","CuKα","","0.033","0.0317","","","0.0819","0.083","","","","","","1.043","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238627","16.643","0.002","7.1118","0.001","6.9618","0.0011","90","","98.903","0.007","90","","814.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Methyl 4-(trifluoromethyl)-1<i>H</i>-pyrrole-3-carboxylate","","- C7 H6 F3 N O2 -","- C7 H6 F3 N O2 -","- C28 H24 F12 N4 O8 -","4","0.5","HB7136","Suchetan, P. A.; Sreenivasa, S.; Palakshamurthy, B. S.; ManojKumar, K. E.; Madan Kumar, S.; Lokanath, N. K.","Methyl 4-(trifluoromethyl)-1<i>H</i>-pyrrole-3-carboxylate","Acta Crystallographica Section E","2013","69","10","o1566","","10.1107/S160053681302549X","","","0.71073","MoKα","","0.0854","0.0649","","","0.1728","0.1797","","","","","","1.088","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238628","12.779","0.001","10.1894","0.0008","14.3953","0.0012","90","","113.744","0.002","90","","1715.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Bis(3-bromo-2-hydroxybenzylidene)propane-1,3-diamine","","- C17 H16 Br2 N2 O2 -","- C17 H16 Br2 N2 O2 -","- C68 H64 Br8 N8 O8 -","4","1","HB7137","Wang, Xiao-Zhen","<i>N</i>,<i>N</i>'-Bis(3-bromo-2-hydroxybenzylidene)propane-1,3-diamine","Acta Crystallographica Section E","2013","69","10","o1584","","10.1107/S1600536813025403","","","0.71073","MoKα","","0.0835","0.0537","","","0.125","0.1409","","","","","","1.069","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238629","7.6456","0.0007","21.4096","0.0018","9.7404","0.0012","90","","100.278","0.001","90","","1568.8","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Pyridinium <i>trans</i>-diaquabis[oxalato(2-)-κ^2^<i>O</i>^1^,<i>O</i>^2^]chromate(III) urea monosolvate","","- C10 H14 Cr N3 O11 -","- C10 H14 Cr N3 O11 -","- C40 H56 Cr4 N12 O44 -","4","0.5","HB7141","Bebga, Gouet; Signé, Martin; Nenwa, Justin; Mbarki, Mohammed; Fokwa, Boniface P. T.","Pyridinium <i>trans</i>-diaquabis[oxalato(2{-})-κ^2^<i>O</i>^1^,<i>O</i>^2^]chromate(III) urea monosolvate","Acta Crystallographica Section E","2013","69","10","m567","","10.1107/S1600536813026135","","","0.71073","MoKα","","0.0498","0.0407","","","0.1031","0.1108","","","","","","1.102","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238630","12.8969","0.001","28.001","0.002","4.533","0.0004","90","","90","","90","","1637","0.2","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","<i>N</i>,<i>N</i>'-(2-Hydroxypropane-1,3-diyl)bis(2-hydroxybenzamide) monohydrate","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","0.5","HB7142","Yebedri, Sihem; Louhibi, Samira; Bouacida, Sofiane; Ourari, Ali; Roisnel, Thierry","<i>N</i>,<i>N</i>'-(2-Hydroxypropane-1,3-diyl)bis(2-hydroxybenzamide) monohydrate","Acta Crystallographica Section E","2013","69","10","o1591","","10.1107/S1600536813026184","","","0.71073","MoKα","","0.0906","0.0478","","","0.1058","0.1231","","","","","","1.038","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238631","10.1889","0.0012","15.2033","0.0005","21.6254","0.0009","90","","90","","90","","3349.9","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}copper(II))","","- C36 H40 Cu2 N4 O8 -","- C36 H40 Cu2 N4 O8 -","- C144 H160 Cu8 N16 O32 -","4","0.5","HG5344","Sydoruk, Tetyana V.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}copper(II))","Acta Crystallographica Section E","2013","69","10","m551","m552","10.1107/S1600536813025105","","","0.71073","MoKα","","0.0449","0.0313","","","0.0789","0.0835","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238632","11.1738","0.0002","9.39846","0.00016","13.6046","0.0002","90","","105.109","0.002","90","","1379.32","0.04","123","2","123.3","0.3","","","","","","","","5","P 1 n 1","P -2yac","7","","[2-(1-Hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]dimethylammonium chloranilate ethyl acetate","","- C26 H35 Cl2 N O8 -","- C26 H35 Cl2 N O8 -","- C52 H70 Cl4 N2 O16 -","2","1","HG5346","Kaur, Manpreet; Jasinski, Jerry P.; Butcher, Ray J.; Yathirajan, H. S.; Byrappa, K.","Desvenlafaxinium chloranilate ethyl acetate solvate","Acta Crystallographica Section E","2013","69","10","o1556","o1557","10.1107/S1600536813025312","","","0.7107","MoKα","","0.0629","0.0571","","","0.1511","0.1576","","","","","","1.053","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238633","6.1925","0.0002","8.2636","0.0002","40.7287","0.0011","90","","93.513","0.002","90","","2080.27","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","<i>tert</i>-Butyl 4-{[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]methyl}piperazine-1-carboxylate","","- C20 H27 N5 O3 -","- C20 H27 N5 O3 -","- C80 H108 N20 O12 -","4","1","HG5347","Gajera, Nilesh N.; Patel, Mukesh C.; Jotani, Mukesh M.; Tiekink, Edward R. T.","<i>tert</i>-Butyl 4-{[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]methyl}piperazine-1-carboxylate","Acta Crystallographica Section E","2013","69","10","o1577","o1578","10.1107/S1600536813025774","","","0.71073","MoKα","","0.0778","0.0497","","","0.1258","0.1413","","","","","","1.035","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238634","15.387","0.0014","9.8771","0.0009","21.3246","0.0019","90","","99.306","0.001","90","","3198.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{9-Hexyl-2-[2-phenyl-6-(pyridin-2-yl)pyridin-4-yl]-9<i>H</i>-carbazole}diiodidozinc","","- C34 H31 I2 N3 Zn -","- C34 H31 I2 N3 Zn -","- C136 H124 I8 N12 Zn4 -","4","1","HP2061","Wang, Hui; Zhao, Xue-Song; Luo, Jun-Shan; Tian, Yu-Peng","{9-Hexyl-2-[2-phenyl-6-(pyridin-2-yl)pyridin-4-yl]-9<i>H</i>-carbazole}diiodidozinc","Acta Crystallographica Section E","2013","69","10","m553","","10.1107/S1600536813025464","","","0.71073","MoKα","","0.0463","0.0392","","","0.1151","0.1217","","","","","","1.037","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238635","38.9622","0.0016","5.5684","0.0012","21.9564","0.0014","90","","117.738","0.002","90","","4216.2","1","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis((<i>E</i>)-2-{5,5-dimethyl-3-[4-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)styryl]cyclohex-2-enylidene}malononitrile)diiodidomercury(II)","","- C42 H38 Hg I2 N10 -","- C42 H38 Hg I2 N10 -","- C168 H152 Hg4 I8 N40 -","4","0.5","HY2634","Wang, Lian-Ke; Zhu, Wei-Ju; Zhou, Hong-Ping","Bis((<i>E</i>)-2-{5,5-dimethyl-3-[4-(1<i>H</i>-1,2,4-triazol-1-yl-κ<i>N</i>^4^)styryl]cyclohex-2-enylidene}malononitrile)diiodidomercury(II)","Acta Crystallographica Section E","2013","69","10","m556","m557","10.1107/S160053681302518X","","","0.71073","MoKα","","0.0379","0.0274","","","0.0667","0.0714","","","","","","1.01","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238636","15.3862","0.0019","8.2397","0.001","27.198","0.004","90","","90","","90","","3448.1","0.8","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Bis[μ-1-(3,5-dichloropyridin-2-yl)-2-(pyridin-3-ylmethylidene)hydrazine]bis[(nitrato-κ<i>O</i>)silver(I)] acetonitrile disolvate","","- C26 H22 Ag2 Cl4 N12 O6 -","- C26 H22 Ag2 Cl4 N12 O6 -","- C104 H88 Ag8 Cl16 N48 O24 -","4","0.5","HY2636","Guo, Ying; Cai, Hua","Bis[μ-1-(3,5-dichloropyridin-2-yl)-2-(pyridin-3-ylmethylidene)hydrazine]bis[(nitrato-κ<i>O</i>)silver(I)] acetonitrile disolvate","Acta Crystallographica Section E","2013","69","10","m525","","10.1107/S1600536813024021","","","0.71073","MoKα","","0.0493","0.0389","","","0.1049","0.1129","","","","","","1.076","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238637","7.207","0.0014","7.62","0.0015","15.109","0.003","92.62","0.03","90.19","0.03","92.15","0.03","828.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","3-(3-Methylphenyl)-5-(quinolin-8-ylmethoxy)-1,2,4-oxadiazole monohydrate","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C38 H34 N6 O6 -","2","1","IM2428","Yang, Lu; Liu, Wei; Wang, Han; Chen, Xing-Wei; Wang, Hai-Bo","3-(3-Methylphenyl)-5-(quinolin-8-ylmethoxy)-1,2,4-oxadiazole monohydrate","Acta Crystallographica Section E","2013","69","10","o1541","","10.1107/S160053681302477X","","","0.71073","MoKα","","0.0922","0.054","","","0.137","0.1618","","","","","","1.002","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238638","42.892","0.009","13.335","0.003","14.234","0.003","90","","90","","90","","8141","3","295","2","295","2","","","","","","","","6","F d d 2","F 2 -2d","43","","2-Dichloromethyl-<i>N</i>-ethyl-5-(1-phenylsilolan-1-yl)cyclopent-3-enecarboxamide","","- C19 H25 Cl2 N O Si -","- C19 H25 Cl2 N O Si -","- C304 H400 Cl32 N16 O16 Si16 -","16","1","IM2436","Xiao, Han; Yang, Wan-Qiu; Shen, Liang","2-Dichloromethyl-<i>N</i>-ethyl-5-(1-phenylsilolan-1-yl)cyclopent-3-enecarboxamide","Acta Crystallographica Section E","2013","69","10","o1530","","10.1107/S160053681302446X","","","0.71073","MoKα","","0.0766","0.0476","","","0.0953","0.106","","","","","","1.029","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238639","4.7082","0.0005","12.2988","0.0008","10.0418","0.0007","90","","91.303","0.007","90","","581.32","0.08","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Hydroxy-6-methylpyridin-2(1<i>H</i>)-one","","- C6 H7 N O2 -","- C6 H7 N O2 -","- C24 H28 N4 O8 -","4","1","IM2437","Reyes, Héctor; Aguirre, Gerardo; Chávez, Daniel","4-Hydroxy-6-methylpyridin-2(1<i>H</i>)-one","Acta Crystallographica Section E","2013","69","10","o1534","","10.1107/S1600536813024240","","","0.71073","MoKα","","0.0723","0.0502","","","0.1424","0.1602","","","","","","1.056","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238640","9.8813","0.0003","9.9921","0.0003","11.1587","0.0003","94.125","0.002","92.196","0.002","101.5","0.002","1075.27","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","8-Bromo-3-(4-ethylphenyl)-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>- chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","","- C25 H21 Br N2 O2 -","- C25 H21 Br N2 O2 -","- C50 H42 Br2 N4 O4 -","2","1","IS5299","Kanchanadevi, J.; Anbalagan, G.; Srinivasan, J.; Bakthadoss, M.; Gunasekaran, B.; Manivannan, V.","8-Bromo-3-(4-ethylphenyl)-1-phenyl-3,3a,4,9b-tetrahydro-1<i>H</i>-chromeno[4,3-<i>c</i>]isoxazole-3a-carbonitrile","Acta Crystallographica Section E","2013","69","10","o1533","","10.1107/S1600536813023982","","","0.71073","MoKα","","0.0806","0.0441","","","0.1081","0.1232","","","","","","1.016","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238641","9.111","0.002","14.753","0.003","14.427","0.002","90","","100.785","0.014","90","","1904.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6-[(4'-Ethoxycarbonyl-[1,1'-biphenyl]-4-yl)oxy]hexanoic acid","","- C21 H24 O5 -","- C21 H24 O5 -","- C84 H96 O20 -","4","1","IS5302","López-Velázquez, Delia; Mendoza, Angel","6-[(4'-Ethoxycarbonyl-[1,1'-biphenyl]-4-yl)oxy]hexanoic acid","Acta Crystallographica Section E","2013","69","10","o1588","","10.1107/S1600536813025877","","","0.71073","MoKα","","0.1272","0.0586","","","","0.171","","","","","","1.059","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238642","15.4821","0.0018","7.3938","0.0009","15.7137","0.0018","90","","91.477","0.004","90","","1798.2","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Azido(η^5^-pentamethylcyclopentadienyl)[2-(pyridin-2-yl)phenyl]iridium(III)","","- C21 H23 Ir N4 -","- C21 H23 Ir N4 -","- C84 H92 Ir4 N16 -","4","1","IS5306","Ariyoshi, Keita; Suzuki, Takayoshi","Azido(η^5^-pentamethylcyclopentadienyl)[2-(pyridin-2-yl)phenyl]iridium(III)","Acta Crystallographica Section E","2013","69","10","m566","","10.1107/S1600536813026159","","","0.71075","MoKα","","0.0177","0.0172","","","0.0421","0.0424","","","","","","1.129","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238643","10.007","0.009","14.747","0.012","12.399","0.011","90","","93.088","0.014","90","","1827","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibromidobis(2-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cadmium","","- C16 H16 Br2 Cd N4 -","- C16 H16 Br2 Cd N4 -","- C64 H64 Br8 Cd4 N16 -","4","1","KQ2008","Liu, Bao-Cheng; Jin, Yan-Ling; Liu, Fa-Qian","Dibromidobis(2-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cadmium","Acta Crystallographica Section E","2013","69","10","m536","","10.1107/S1600536813024549","","","0.71073","MoKα","","0.0494","0.0328","","","0.0729","0.0767","","","","","","1.001","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238644","13.148","0.005","28.64","0.007","9.757","0.004","90","","100.19","0.02","90","","3616","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","(<i>E</i>)-2-{[1-(3,11-Dimethyl-4-methylene-10-oxo-1-phenyl-4,5,10,11-tetrahydro-1<i>H</i>-benzo[<i>b</i>]pyrazolo[3,4-<i>f</i>][1,5]diazocin-5-yl)ethylidene]amino}-<i>N</i>-methyl-<i>N</i>-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)benzamide","","- C40 H36 N8 O2 -","- C40 H36 N8 O2 -","- C160 H144 N32 O8 -","4","1","LD2108","Meneghetti, Fiorella; Maggio, Benedetta","(<i>E</i>)-2-{[1-(3,11-Dimethyl-4-methylene-10-oxo-1-phenyl-4,5,10,11-tetrahydro-1<i>H</i>-benzo[<i>b</i>]pyrazolo[3,4-<i>f</i>][1,5]diazocin-5-yl)ethylidene]amino}-<i>N</i>-methyl-<i>N</i>-(3-methyl-1-phenyl-1<i>H</i>-pyrazol-5-yl)benzamide","Acta Crystallographica Section E","2013","69","10","o1583","","10.1107/S1600536813025671","","","0.71073","MoKα","","0.1212","0.0378","","","0.0826","0.0971","","","","","","0.905","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238645","8.4392","0.0006","10.6683","0.0007","11.0755","0.0008","100.623","0.006","103.867","0.006","110.55","0.006","866.05","0.12","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","3-(4-Hydroxyphenyl)-1,5-bis(pyridin-2-yl)pentane-1,5-dione","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C42 H36 N4 O6 -","2","1","LD2113","Pan, Lixia; Shi, Huaduan; Ma, Zhen","3-(4-Hydroxyphenyl)-1,5-bis(pyridin-2-yl)pentane-1,5-dione","Acta Crystallographica Section E","2013","69","10","o1580","","10.1107/S1600536813025518","","","0.71073","MoKα","","0.062","0.0425","","","0.1029","0.1186","","","","","","1.034","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238646","14.9967","0.0003","7.4039","0.0002","17.5795","0.0004","90","","114.08","0.001","90","","1782.06","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-4-(2,4,5-trimethoxyphenyl)-2,2'-bipyridine-5-carbonitrile","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","1","LH5641","Chantrapromma, Suchada; Suwunwong, Thitipone; Ruanwas, Pumsak; Quah, Ching Kheng; Fun, Hoong-Kun","6-Methoxy-4-(2,4,5-trimethoxyphenyl)-2,2'-bipyridine-5-carbonitrile","Acta Crystallographica Section E","2013","69","10","o1500","o1501","10.1107/S1600536813023891","","","0.71073","MoKα","","0.0501","0.0423","","","0.1091","0.1157","","","","","","1.029","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238647","13.366","0.002","10.2326","0.0017","19.891","0.003","90","","113.004","0.008","90","","2504.1","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylquinolinium 4-fluorobenzenesulfonate monohydrate","","- C28 H31 F N2 O4 S -","- C28 H31 F N2 O4 S -","- C112 H124 F4 N8 O16 S4 -","4","1","LH5643","Fun, Hoong-Kun; Kaewmanee, Narissara; Chanawanno, Kullapa; Boonnak, Nawong; Chantrapromma, Suchada","(<i>E</i>)-2-[4-(Diethylamino)styryl]-1-methylquinolinium 4-fluorobenzenesulfonate monohydrate","Acta Crystallographica Section E","2013","69","10","o1510","o1511","10.1107/S1600536813023532","","","0.71073","MoKα","","0.0763","0.0584","","","0.1569","0.1724","","","","","","1.043","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238648","12.1162","0.0005","11.9638","0.0005","24.9181","0.0009","90","","90","","90","","3612","0.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tricarbonylchlorido(6',7'-dihydro-5'<i>H</i>-spiro[cyclopentane-1,6'-dipyrido[3,2-<i>d</i>:2',3'-<i>f</i>][1,3]diazepine]-κ^2^<i>N</i>^1^,<i>N</i>^11^)rhenium(I)","","- C18 H16 Cl N4 O3 Re -","- C18 H16 Cl N4 O3 Re -","- C144 H128 Cl8 N32 O24 Re8 -","8","1","LH5644","Clegg, Oliver R.; Harding, Lindsay P.; Miller, John W.; Rice, Craig R.","Tricarbonylchlorido(6',7'-dihydro-5'<i>H</i>-spiro[cyclopentane-1,6'-dipyrido[3,2-<i>d</i>:2',3'-<i>f</i>][1,3]diazepine]-κ^2^<i>N</i>^1^,<i>N</i>^11^)rhenium(I)","Acta Crystallographica Section E","2013","69","10","m526","","10.1107/S1600536813023076","","","0.71073","MoKα","","0.0611","0.0372","","","0.0676","0.0749","","","","","","1.041","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238649","12.6794","0.0006","11.904","0.0006","12.7732","0.0006","90","","97.066","0.001","90","","1913.29","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tricarbonylchlorido(6',7'-dihydro-5'<i>H</i>-spiro[cyclohexane-1,6'-dipyrido[3,2-<i>d</i>:2',3'-<i>f</i>][1,3]diazepine]-κ^2^<i>N</i>^1^,<i>N</i>^11^)rhenium(I)","","- C19 H18 Cl N4 O3 Re -","- C19 H18 Cl N4 O3 Re -","- C76 H72 Cl4 N16 O12 Re4 -","4","1","LH5645","Clegg, Oliver R.; Harding, Lindsay P.; Miller, John W.; Rice, Craig R.","Tricarbonylchlorido(6',7'-dihydro-5'<i>H</i>-spiro[cyclohexane-1,6'-dipyrido[3,2-<i>d</i>:2',3'-<i>f</i>][1,3]diazepine]-κ^2^<i>N</i>^1^,<i>N</i>^11^)rhenium(I)","Acta Crystallographica Section E","2013","69","10","m527","","10.1107/S1600536813024288","","","0.71073","MoKα","","0.0408","0.0265","","","0.0479","0.0509","","","","","","1.044","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238650","9.0025","0.0002","9.5921","0.0002","11.9914","0.0002","105.268","0.0008","103.48","0.0008","102.26","0.0008","929.15","0.03","90","0.2","90","0.2","","","","","","","","7","P -1","-P 1","2","","Bis[1-methoxy-2,2,2-tris(pyrazol-1-yl-κ<i>N</i>^2^)ethane]nickel(II) bis(trifluoromethanesulfonate) methanol disolvate","","- C28 H36 F6 N12 Ni O10 S2 -","- C28 H36 F6 N12 Ni O10 S2 -","- C28 H36 F6 N12 Ni O10 S2 -","1","0.5","LH5647","Lyubartseva, Ganna; Parkin, Sean; Mallik, Uma Prasad","Bis[1-methoxy-2,2,2-tris(pyrazol-1-yl-κ<i>N</i>^2^)ethane]nickel(II) bis(trifluoromethanesulfonate) methanol disolvate","Acta Crystallographica Section E","2013","69","10","m537","","10.1107/S1600536813024653","","","0.71073","MoKα","","0.0639","0.0428","","","0.0953","0.1052","","","","","","1.095","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238651","8.3121","0.0008","6.0287","0.0006","35.93","0.003","90","","90","","90","","1800.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[μ~5~-(4-methoxybenzenesulfonato)-sodium]","","- C7 H7 Na O4 S -","- C7 H7 Na O4 S -","- C56 H56 Na8 O32 S8 -","8","1","LH5648","Chantrapromma, Suchada; Boonnak, Nawong; Fun, Hoong-Kun","Poly[μ~5~-(4-methoxybenzenesulfonato)-sodium]","Acta Crystallographica Section E","2013","69","10","m558","","10.1107/S1600536813025919","","","0.71073","MoKα","","0.0375","0.0369","","","0.1003","0.1007","","","","","","1.202","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238652","9.5637","0.0004","5.567","0.0002","32.0682","0.0012","90","","92.901","0.002","90","","1705.16","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetrakis(acetonitrile)copper(I) hydrogen oxalate","Tetrakis(acetonitrile)copper(I) hydrogen oxalate‒oxalic acid‒acetonitrile (1/0.5/0.5)","","- C12 H15.5 Cu N4.5 O6 -","- C12 H15.5 Cu N4.5 O6 -","- C48 H62 Cu4 N18 O24 -","4","1","LH5649","Royappa, A. Timothy; Stepherson, Jacob R.; Vu, Oliver D.; Royappa, Andrew D.; Stern, Charlotte L.; Müller, Peter","Tetrakis(acetonitrile)copper(I) hydrogen oxalate‒oxalic acid‒acetonitrile (1/0.5/0.5)","Acta Crystallographica Section E","2013","69","10","m544","","10.1107/S1600536813024914","","","1.54184","CuKα","","0.0382","0.0362","","","0.0964","0.0976","","","","","","1.121","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238653","11.933","0.002","9.132","0.004","21.441","0.003","90","","101.2","0.02","90","","2292","1.1","293","2","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","<i>m</i>-Xylylenediaminium diaquabis[dihydrogen diphosphato(2-)]cobaltate(II) dihydrate","","- C8 H26 Co N2 O18 P4 -","- C8 H26 Co N2 O18 P4 -","- C32 H104 Co4 N8 O72 P16 -","4","0.5","LH5650","Elboulali, Adel; Akriche, Samah; Rzaigui, Mohamed","<i>m</i>-Xylylenediaminium diaquabis[dihydrogen diphosphato(2{-})]cobaltate(II) dihydrate","Acta Crystallographica Section E","2013","69","10","m545","m546","10.1107/S160053681302535X","","","0.56087","AgKα","","0.0604","0.0354","","","0.0816","0.0897","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238654","17.3913","0.001","12.9247","0.0007","13.2214","0.0007","90","","123.248","0.005","90","","2485.4","0.3","223.15","","223.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)zinc(II) propane-1,2-diol monosolvate","","- C27 H24 N4 O6 S Zn -","- C27 H24 N4 O6 S Zn -","- C108 H96 N16 O24 S4 Zn4 -","4","0.5","LH5651","Zhong, Kai-Long","Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)zinc(II) propane-1,2-diol monosolvate","Acta Crystallographica Section E","2013","69","10","m561","","10.1107/S160053681302610X","","","0.71073","MoKα","","0.0504","0.0409","","","0.0958","0.1024","","","","","","1.056","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238655","8.201","0.001","17.887","0.003","11.863","0.002","90","","92.444","0.003","90","","1738.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{5,5'-Dihydroxy-2,2'-[(2-hydroxypropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II) dihydrate","","- C17 H20 N2 Ni O7 -","- C17 H20 N2 Ni O7 -","- C68 H80 N8 Ni4 O28 -","4","1","MW2116","Datta, Amitabha; Huang, Jui-Hsien; Sheu, Shiann-Cherng","{5,5'-Dihydroxy-2,2'-[(2-hydroxypropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}nickel(II) dihydrate","Acta Crystallographica Section E","2013","69","10","m559","m560","10.1107/S1600536813026007","","","0.71069","MoKα","","0.0611","0.0373","","","0.0834","0.0934","","","","","","1.037","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238656","12.1005","0.0009","12.5711","0.0009","15.7032","0.0011","80.047","0.001","75.377","0.001","71.449","0.001","2180.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Tris[4-(dimethylamino)pyridine][tris(pyrazol-1-yl)methane]ruthenium(II) bis(hexafluoridophosphate) diethyl ether monosolvate","","- C35 H50 F12 N12 O P2 Ru -","- C35 H50 F12 N12 O P2 Ru -","- C70 H100 F24 N24 O2 P4 Ru2 -","2","1","NC2317","Coe, Benjamin J.; Raftery, James; Rusanova, Daniela","Tris[4-(dimethylamino)pyridine][tris(pyrazol-1-yl)methane]ruthenium(II) bis(hexafluoridophosphate) diethyl ether monosolvate","Acta Crystallographica Section E","2013","69","10","m549","m550","10.1107/S1600536813025245","","","0.71073","MoKα","","0.0799","0.0574","","","0.1039","0.1135","","","","","","0.945","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238657","10.294","0.003","15.617","0.005","16.082","0.005","90.984","0.007","103.01","0.008","103.869","0.008","2438.6","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(2,3,5,6-Tetrafluorophenolato)[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato]iron(III) cyclohexane monosolvate","","- C60 H49 F4 Fe N4 O5 -","- C60 H49 F4 Fe N4 O5 -","- C120 H98 F8 Fe2 N8 O10 -","2","1","NG5339","Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.","(2,3,5,6-Tetrafluorophenolato)[5,10,15,20-tetrakis(4-methoxyphenyl)porphyrinato]iron(III) cyclohexane monosolvate","Acta Crystallographica Section E","2013","69","10","m530","m531","10.1107/S1600536813021880","","","0.71073","MoKα","","0.0964","0.06","","","0.1419","0.159","","","","","","1.038","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238658","18.2954","0.0009","11.6004","0.0006","15.3351","0.0006","90","","104.963","0.003","90","","3144.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[μ-3,3'-Bis(trihydroboryl)[3]ferrocenophane]bis(chloridozirconocene)","","- C33 H38 B2 Cl2 Fe Zr2 -","- C33 H38 B2 Cl2 Fe Zr2 -","- C132 H152 B8 Cl8 Fe4 Zr8 -","4","1","NG5341","Reichert, Adelina; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael","[μ-3,3'-Bis(trihydroboryl)[3]ferrocenophane]bis(chloridozirconocene)","Acta Crystallographica Section E","2013","69","10","m534","m535","10.1107/S1600536813023933","","","0.71073","MoKα","","0.0866","0.0476","","","0.0998","0.1118","","","","","","0.936","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238659","7.3847","0.0003","25.2814","0.0015","6.1097","0.0003","90","","94.85","0.02","90","","1136.57","0.1","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","Tamarugite","Sodium aluminium bis(sulfate) hexahydrate","","- Al H12 Na O14 S2 -","- Al H12 Na O14 S2 -","- Al4 H48 Na4 O56 S8 -","4","1","PJ2005","Mereiter, Kurt","Redetermination of tamarugite, NaAl(SO~4~)~2~·6H~2~O","Acta Crystallographica Section E","2013","69","10","i63","i64","10.1107/S1600536813025154","","","0.71073","MoKα","","0.0339","0.025","","","0.0582","0.0612","","","","","","1.141","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238660","5.503","0.004","8.113","0.001","9.122","0.002","99.65","0.02","103.69","0.03","98.86","0.02","382","0.3","293","2","293","2","","","","","","","","3","P 1","P 1","1","3methyl-DAG","1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-α-<i>D</i>-allofuranose","","- C13 H22 O6 -","- C13 H22 O6 -","- C13 H22 O6 -","1","1","PK2484","da Forezi, Luana; Silva, Marcos Moitrel Pequeno; da Santos, Fernanda; Ferreira, Vitor Francisco; Souza, Maria Cecília Bastos Vieira de","1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-α-<small>D</small>-allofuranose","Acta Crystallographica Section E","2013","69","10","o1512","","10.1107/S1600536813022447","","","0.71073","MoKα","","0.0687","0.046","","","","0.1304","","","","","","1.042","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238661","22.287","0.004","12.676","0.002","13.339","0.002","90","","98.51","0.004","90","","3726.9","1.1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","(2,3,5,6-Tetrafluorophenolato-κ<i>O</i>)(5,10,15,20-tetraphenylporphyrinato)iron(III)","","- C50 H29 F4 Fe N4 O -","- C50 H29 F4 Fe N4 O -","- C200 H116 F16 Fe4 N16 O4 -","4","1","PK2492","Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.","(2,3,5,6-Tetrafluorophenolato-κ<i>O</i>)(5,10,15,20-tetraphenylporphyrinato)iron(III)","Acta Crystallographica Section E","2013","69","10","m564","m565","10.1107/S160053681302607X","","","0.71073","MoKα","","0.0961","0.0558","","","0.1026","0.1155","","","","","","1.009","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238662","16.251","0.003","10.473","0.002","19.973","0.004","90","","90","","90","","3399.3","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(6,6-Dimethyl-1-phenyl-6,7-dihydro-5<i>H</i>-pyrrolizin-2-yl)(thiophen-2-yl)methanone","","- C20 H19 N O S -","- C20 H19 N O S -","- C160 H152 N8 O8 S8 -","8","1","PK2493","Liu, Yu-min; Zhong, Jia-liang; Sun, Wen-xia; Zhang, Fu-li; Liu, He","(6,6-Dimethyl-1-phenyl-6,7-dihydro-5<i>H</i>-pyrrolizin-2-yl)(thiophen-2-yl)methanone","Acta Crystallographica Section E","2013","69","10","o1513","","10.1107/S1600536813023489","","","0.71073","MoKα","","0.0698","0.0462","","","0.1194","0.1314","","","","","","1.032","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238663","7.73182","0.00011","10.77708","0.00013","25.6818","0.0005","90","","98.4034","0.0015","90","","2117","0.06","100","1","100","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","indenyliridiumbisethylene","Bis(η^2^-ethylene)(η^5^-indenyl)iridium(I)","","- C13 H15 Ir -","- C13 H15 Ir -","- C104 H120 Ir8 -","8","2","PK2496","Merola, Joseph S.","Bis(η^2^-ethylene)(η^5^-indenyl)iridium(I)","Acta Crystallographica Section E","2013","69","10","m547","","10.1107/S1600536813025300","","","0.7107","MoKα","","0.0254","0.0243","","","0.0544","0.0548","","","","","","1.46","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238664","10.522","0.0015","11.8295","0.0016","11.987","0.003","112.871","0.011","97.939","0.011","110.123","0.008","1225.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","[(4<i>E</i>)-3-Ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene]amino 3-methylbenzoate","","- C28 H30 N2 O2 -","- C28 H30 N2 O2 -","- C56 H60 N4 O4 -","2","1","PV2635","Vinuchakkaravarthy, T.; Sivakumar, R.; Srinivasan, T.; Thanikachalam, V.; Velmurugan, D.","[(4<i>E</i>)-3-Ethyl-1-methyl-2,6-diphenylpiperidin-4-ylidene]amino 3-methylbenzoate","Acta Crystallographica Section E","2013","69","10","o1545","","10.1107/S1600536813024276","","","0.71073","MoKα","","0.0655","0.0457","","","0.1238","0.139","","","","","","1.03","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238665","17.3582","0.0015","18.5489","0.0013","8.9213","0.0008","90","","90","","90","","2872.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ethyl 1'-methyl-2-oxo-4'-[(3a<i>R</i>,5<i>R</i>,5a<i>S</i>,8a<i>S</i>,8b<i>R</i>)-2,2,7,7-tetramethyltetrahydro-3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl]-2<i>H</i>-spiro[acenaphthylene-1,2'-pyrrolidine]-3'-carboxylate","","- C30 H35 N O8 -","- C30 H35 N O8 -","- C120 H140 N4 O32 -","4","1","PV2644","Jagadeesan, G.; Sethusankar, K.; Prasanna, R.; Raghunathan, R.","Ethyl 1'-methyl-2-oxo-4'-[(3a<i>R</i>,5<i>R</i>,5a<i>S</i>,8a<i>S</i>,8b<i>R</i>)-2,2,7,7-tetramethyltetrahydro-3a<i>H</i>-bis[1,3]dioxolo[4,5-<i>b</i>:4',5'-<i>d</i>]pyran-5-yl]-2<i>H</i>-spiro[acenaphthylene-1,2'-pyrrolidine]-3'-carboxylate","Acta Crystallographica Section E","2013","69","10","o1517","o1518","10.1107/S1600536813024586","","","0.71073","MoKα","","0.0635","0.0388","","","0.0872","0.0987","","","","","","1.033","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238666","5.5582","0.0006","12.8881","0.0015","14.8377","0.0011","90","","98.782","0.008","90","","1050.43","0.19","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,6-Dibromo-<i>N</i>-{3-[(4,6-dibromo-2,3-dimethylphenyl)imino]butan-2-ylidene}-2,3-dimethylaniline","","- C20 H20 Br4 N2 -","- C20 H20 Br4 N2 -","- C40 H40 Br8 N4 -","2","0.5","RK2409","Huang, Lina; Du, Zhengyin; Liu, Wei; Che, Fushou","4,6-Dibromo-<i>N</i>-{3-[(4,6-dibromo-2,3-dimethylphenyl)imino]butan-2-ylidene}-2,3-dimethylaniline","Acta Crystallographica Section E","2013","69","10","o1496","","10.1107/S1600536813023921","","","1.5418","CuKα","","0.0474","0.0442","","","0.1311","0.1345","","","","","","1.113","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238667","11.2292","0.0003","12.4823","0.0003","24.444","0.0005","76.07","0.001","78.08","0.001","66.917","0.001","3034.98","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","3,3''-Bis(9-hydroxyfluoren-9-yl)-1,1':3',1''-terphenyl","","- C44 H30 O2 -","- C44 H30 O2 -","- C176 H120 O8 -","4","2","RK2410","Skobridis, Konstantinos; Theodorou, Vassiliki; Paraskevopoulos, Georgios; Seichter, Wilhelm; Weber, Edwin","3,3''-Bis(9-hydroxyfluoren-9-yl)-1,1':3',1''-terphenyl","Acta Crystallographica Section E","2013","69","10","o1514","o1515","10.1107/S1600536813024033","","","0.71073","MoKα","","0.0705","0.0439","","","0.0965","0.1088","","","","","","1.028","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238668","5.392","0.002","9.204","0.002","15.841","0.006","81.58","0.02","81.98","0.02","89.13","0.03","770.1","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","Ethyl <i>N</i>-(2-acetyl-3-oxo-1-phenylbutyl)carbamate","","- C15 H19 N O4 -","- C15 H19 N O4 -","- C30 H38 N2 O8 -","2","1","RK2414","Volov, Alexander N.; Zamilatskov, Ilia A.","Ethyl <i>N</i>-(2-acetyl-3-oxo-1-phenylbutyl)carbamate","Acta Crystallographica Section E","2013","69","10","o1529","","10.1107/S1600536813024884","","","1.54184","CuKα","","0.0998","0.0677","","","0.1991","0.2308","","","","","","1.044","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238669","13.076","0.004","20.581","0.005","6.725","0.003","90","","104.1","0.03","90","","1755.3","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4'-Acetyl-3''-carbamoyl-[1,1':3',1''-terphenyl]-2-carboxylic acid","","- C22 H17 N O4 -","- C22 H17 N O4 -","- C88 H68 N4 O16 -","4","1","RN2118","Ishikawa, Yoshinobu; Yoshida, Nanako; Suzuki, Takafumi","4'-Acetyl-3''-carbamoyl-[1,1':3',1''-terphenyl]-2-carboxylic acid","Acta Crystallographica Section E","2013","69","10","o1596","","10.1107/S1600536813026482","","","0.71069","MoKα","","","0.0498","","","","0.1324","","","","","","1.011","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238670","9.8647","0.0001","9.8647","0.0001","19.5957","0.0003","90","","90","","120","","1651.43","0.03","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","Tetrasodium pentadecamolybdenum nonadecaselenide","","- Mo15 Na3.88 Se19 -","- Mo15 Na3.884 Se19 -","- Mo30 Na7.768 Se38 -","2","0.166667","RU2054","Salloum, Diala; Gougeon, Patrick; Gall, Philippe","Na~3.88~Mo~15~Se~19~: a novel ternary reduced molybdenum selenide containing Mo~6~ and Mo~9~ clusters","Acta Crystallographica Section E","2013","69","10","i67","i68","10.1107/S1600536813025907","","","0.71069","MoKα","","0.0427","0.0326","","","0.0787","0.0836","","","","","","1.056","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238671","7.5319","0.0008","12.9302","0.0014","32.3268","0.0018","90","","90","","90","","3148.3","0.5","200","1","200","1","","","","","","","","5","C 2 2 21","C 2c 2","20","4-methoxyanilinium hydrogen 4,5-dichlorophthalate","4-Methoxyanilinium 2-carboxy-4,5-dichlorobenzoate","","- C15 H13 Cl2 N O5 -","- C15 H13 Cl2 N O5 -","- C120 H104 Cl16 N8 O40 -","8","1","SJ5350","Smith, Graham; Wermuth, Urs D.","4-Methoxyanilinium 2-carboxy-4,5-dichlorobenzoate","Acta Crystallographica Section E","2013","69","10","o1546","","10.1107/S1600536813025014","","","0.71073","MoKα","","0.0696","0.0668","","","0.1165","0.1173","","","","","","1.423","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238672","11.98275","0.00018","38.5234","0.0006","16.4239","0.0002","90","","94.197","0.0014","90","","7561.21","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-(1<i>H</i>-Imidazol-1-yl)propanaminium picrate","3-(1<i>H</i>-Imidazol-1-yl)propanaminium 2,4,6-trinitrophenolate","","- C12 H14 N6 O7 -","- C12 H14 N6 O7 -","- C240 H280 N120 O140 -","20","5","SJ5352","Yamuna, T. S.; Jasinski, Jerry P.; Duff, Courtney E.; Yathirajan, H. S.; Kaur, Manpreet","3-(1<i>H</i>-Imidazol-1-yl)propanaminium picrate","Acta Crystallographica Section E","2013","69","10","o1572","o1573","10.1107/S1600536813025646","","","1.54184","CuKα","","0.053","0.0422","","","0.1082","0.1163","","","","","","1.021","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238673","11.6215","0.0006","17.105","0.0011","12.3381","0.0008","90","","114.431","0.002","90","","2233","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3'-[(1<i>H</i>-Indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(thiophen-\ 2-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","","- C26 H20 N4 O2 S -","- C26 H20 N4 O2 S -","- C104 H80 N16 O8 S4 -","4","1","SU2642","Inglebert, S. Antony; Arun, Yuvaraj; Sethusankar, K.; Perumal, Paramasivam T.","3'-[(1<i>H</i>-Indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(thiophen-2-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile","Acta Crystallographica Section E","2013","69","10","o1585","","10.1107/S1600536813025890","","","0.71073","MoKα","","0.1036","0.0733","","","0.222","0.2523","","","","","","1.073","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238674","8.0209","0.0002","7.8762","0.0002","20.4293","0.0005","90","","99.066","0.002","90","","1274.48","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-Dimethyl-<i>N</i>-(2-methylphenyl)-1,3-dioxan-4-amine","","- C13 H19 N O2 -","- C13 H19 N O2 -","- C52 H76 N4 O8 -","4","1","SU2643","Fatima, Zeenat; Rambabu, Gottimukkala; Reddy, Bandapalli Palakshi; Vijayakumar, Vijayaparthasarathi; Velmurugan, Devadasan","2,6-Dimethyl-<i>N</i>-(2-methylphenyl)-1,3-dioxan-4-amine","Acta Crystallographica Section E","2013","69","10","o1561","","10.1107/S1600536813025294","","","0.71073","MoKα","","0.0517","0.0399","","","0.1089","0.1186","","","","","","1.032","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238675","5.2466","0.0007","17.973","0.002","14.8785","0.0018","90","","94.018","0.003","90","","1399.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","methyl 4-(benzyloxy)-3-methoxybenzoate","Methyl 4-(benzyloxy)-3-methoxybenzoate","","- C16 H16 O4 -","- C16 H16 O4 -","- C64 H64 O16 -","4","1","SU2645","Wang, Kai; Ju, ChaoFan; Xiao, Jian; Chen, Qiang","Methyl 4-(benzyloxy)-3-methoxybenzoate","Acta Crystallographica Section E","2013","69","10","o1562","","10.1107/S1600536813025415","","","0.71073","MoKα","","0.073","0.0452","","","0.12","0.1377","","","","","","0.909","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238676","9.9367","0.0005","13.566","0.0006","10.3206","0.0005","90","","115.543","0.003","90","","1255.25","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Bromophenyl)-2,6-dimethyl-1,3-dioxan-4-amine","","- C12 H16 Br N O2 -","- C12 H16 Br N O2 -","- C48 H64 Br4 N4 O8 -","4","1","SU2646","Fatima, Zeenat; Rambabu, Gottimukkala; Reddy, Bandapalli Palakshi; Vijayakumar, Vijayaparthasarathi; Velmurugan, Devadasan","<i>N</i>-(4-Bromophenyl)-2,6-dimethyl-1,3-dioxan-4-amine","Acta Crystallographica Section E","2013","69","10","o1579","","10.1107/S1600536813025750","","","0.71073","MoKα","","0.0853","0.0366","","","0.0794","0.0917","","","","","","1.013","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238677","14.8688","0.0002","6.895","0.00012","16.3546","0.0003","90","","99.5834","0.0016","90","","1653.28","0.05","120","2","120","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","1-(4-{[(1,3,3-Trimethylindolin-2-ylidene)methyl]diazenyl}phenyl)ethanone","","- C20 H21 N3 O -","- C20 H21 N3 O -","- C80 H84 N12 O4 -","4","0.5","TK5249","Gainsford, Graeme J.; Ashraf, Mohamed; Bhuiyan, M. Delower H.; Kay, Andrew J.","1-(4-{[(1,3,3-Trimethylindolin-2-ylidene)methyl]diazenyl}phenyl)ethanone","Acta Crystallographica Section E","2013","69","10","o1499","","10.1107/S1600536813024124","","","1.5418","CuKα","","0.0395","0.0357","","","0.0947","0.0982","","","","","","1.067","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238678","8.5582","0.0002","9.6515","0.0002","12.2347","0.0002","110.399","0.001","103.665","0.001","97.317","0.001","895.66","0.03","90","0.2","90","0.2","","","","","","","","7","P -1","-P 1","2","","Bis[1-methoxy-2,2,2-tris(pyrazol-1-yl-κ<i>N</i>^2^)ethane]nickel(II) bis(trifluoromethanesulfonate) dihydrate","","- C26 H32 F6 N12 Ni O10 S2 -","- C26 H32 F6 N12 Ni O10 S2 -","- C26 H32 F6 N12 Ni O10 S2 -","1","0.5","TK5252","Lyubartseva, Ganna; Parkin, Sean; Mallik, Uma Prasad","Bis[1-methoxy-2,2,2-tris(pyrazol-1-yl-κ<i>N</i>^2^)ethane]nickel(II) bis(trifluoromethanesulfonate) dihydrate","Acta Crystallographica Section E","2013","69","10","m532","m533","10.1107/S1600536813024252","","","0.71073","MoKα","","0.0329","0.0291","","","0.0701","0.0719","","","","","","1.066","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238679","16.8684","0.0006","8.3754","0.0003","15.993","0.0006","90","","96.658","0.001","90","","2244.25","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","14a-Hydroxy-12-methyl-10-(4-methylphenyl)-8,9,9a,10,12,13,14,14a-octahydro-10a,14-methano-5<i>H</i>-indeno[2',1':4,5]azepino[3,4-<i>b</i>]pyrrolizine-5,15(7<i>H</i>,11<i>H</i>)-dione","","- C27 H28 N2 O3 -","- C27 H28 N2 O3 -","- C108 H112 N8 O12 -","4","1","TK5254","Nagalakshmi, R. A.; Suresh, J.; Malathi, K.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","14a-Hydroxy-12-methyl-10-(4-methylphenyl)-8,9,9a,10,12,13,14,14a-octahydro-10a,14-methano-5<i>H</i>-indeno[2',1':4,5]azepino[3,4-<i>b</i>]pyrrolizine-5,15(7<i>H</i>,11<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","10","o1581","","10.1107/S1600536813025592","","","0.71073","MoKα","","0.0847","0.0531","","","0.1396","0.1606","","","","","","1.021","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238680","10.7444","0.0009","14.847","0.002","6.7223","0.0008","90","","105.51","0.02","90","","1033.3","0.2","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Tetrasodium lithium cobalt aluminium hexa(orthoarsenate)","","- Al0.71 As6 Co5.67 Li0.62 Na4 O24 -","- Al0.714 As6 Co5.666 Li0.62 Na4 O24 -","- Al1.428 As12 Co11.332 Li1.24 Na8 O48 -","2","0.25","VN2076","Marzouki, Riadh; Frigui, Wafa; Guesmi, Abderrahmen; Zid, Mohamed Faouzi; Driss, Ahmed","β-Xenophyllite-type Na~4~Li~0.62~Co~5.67~Al~0.71~(AsO~4~)~6~","Acta Crystallographica Section E","2013","69","10","i65","i66","10.1107/S1600536813025233","","","0.71073","MoKα","","0.0316","0.0261","","","0.0659","0.0683","","","","","","1.126","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238681","14.6401","0.0002","14.6401","0.0002","17.7899","0.0003","90","","90","","90","","3812.95","0.1","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","Dichloridodiphenylbis(thiourea-κ<i>S</i>)tin(IV)","","- C14 H18 Cl2 N4 S2 Sn -","- C14 H18 Cl2 N4 S2 Sn -","- C112 H144 Cl16 N32 S16 Sn8 -","8","0.5","WM2764","Sow, Yaya; Diop, Libasse; Molloy, Kieran C.; Kociok-Köhn, Gabriele","Dichloridodiphenylbis(thiourea-κ<i>S</i>)tin(IV)","Acta Crystallographica Section E","2013","69","10","m539","m540","10.1107/S1600536813024343","","","0.71073","MoKα","","0.0259","0.0193","","","0.0476","0.0513","","","","","","1.059","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238682","11.6933","0.0005","11.7463","0.0005","12.2301","0.0006","114.236","0.005","101.68","0.004","104.123","0.004","1395.8","0.14","175","","175","","","","","","","","","5","P -1","-P 1","2","","Tetrabutylammonium butyltetrachloridostannate(IV)","","- C20 H45 Cl4 N Sn -","- C20 H45 Cl4 N Sn -","- C40 H90 Cl8 N2 Sn2 -","2","1","WM2766","Diop, Tidiane; van der Lee, Arie; Diop, Libasse","Tetrabutylammonium butyltetrachloridostannate(IV)","Acta Crystallographica Section E","2013","69","10","m562","m563","10.1107/S1600536813026172","","","0.71073","MoKα","","0.0638","0.0494","","0.0879","0.0757","0.0876","","","","","","0.9686","","","","has coordinates","209451","2020-10-21","18:00:00",""
"2238683","6.4987","0.0005","6.6196","0.0005","13.2978","0.0009","87.418","0.004","85.702","0.004","60.854","0.003","498.19","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","yttrium fluoride disilicate ortho-silicate","Tetrayttrium difluoride disilicate orthosilicate","","- F2 O11 Si3 Y4 -","- F2 O11 Si3 Y4 -","- F4 O22 Si6 Y8 -","2","1","WM2768","Schäfer, Marion C.; Hartenbach, Ingo; Schleid, Thomas","Tetrayttrium difluoride disilicate orthosilicate, Y~4~F~2~[Si~2~O~7~][SiO~4~]","Acta Crystallographica Section E","2013","69","10","i71","","10.1107/S1600536813026391","","","0.71073","MoKα","","0.121","0.0549","","","0.0884","0.1067","","","","","","0.982","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238684","8.4625","0.0004","8.556","0.0003","14.5344","0.0005","90","","125.186","0.002","90","","860.08","0.06","290","1","290","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trilithium dichromium(III) tris(orthophosphate)","","- Cr2 Li3 O12 P3 -","- Cr2 Li2.99 O12 P3 -","- Cr8 Li11.96 O48 P12 -","4","1","WM2772","Sun, Joobin; Kim, Pilsoo; Yun, Hoseop","The monoclinic form of trilithium dichromium(III) tris(orthophosphate)","Acta Crystallographica Section E","2013","69","10","i72","","10.1107/S1600536813026433","","","0.71073","MoKα","","0.027","0.0257","","","","0.0679","","","","","","1.138","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2238685","13.604","0.003","15.56","0.003","11.274","0.002","90","","112.66","0.03","90","","2202.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 3,3'-(phenylmethylene)bis(1<i>H</i>-indole-2-carboxylate)","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C108 H88 N8 O16 -","4","1","XU5723","Sun, Hong-Shun; Li, Yu-Long; Xu, Ning; Xu, Hong; Zhang, Ji-Dong","Dimethyl 3,3'-(phenylmethylene)bis(1<i>H</i>-indole-2-carboxylate)","Acta Crystallographica Section E","2013","69","10","o1516","","10.1107/S1600536813024471","","","0.71073","MoKα","","0.1213","0.0617","","","0.1473","0.1809","","","","","","1.001","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238686","13.024","0.003","8.411","0.0017","23.143","0.005","90","","90","","90","","2535.2","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(Benzylcarbamoyl)nicotinic acid","2-(Benzylcarbamoyl)pyridine-3-carboxylic acid","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","1","XU5724","Mao, Yan-Cao; Wu, Hao; Shan, Jin-Jun; Yan, Ke","2-(Benzylcarbamoyl)nicotinic acid","Acta Crystallographica Section E","2013","69","10","o1520","","10.1107/S1600536813024483","","","0.71073","MoKα","","0.1133","0.0569","","","0.1434","0.1671","","","","","","1.002","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238687","11.157","0.002","11.524","0.003","14.967","0.004","79.601","0.018","72.859","0.017","61.237","0.012","1610.3","0.7","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>'-Bis[(pyridin-1-ium-2-yl)methyl]ethanedithioamide bis(2,6-dinitrobenzoate)‒2,6-dinitrobenzoic acid (1/4)","","- C56 H38 N16 O36 S2 -","- C56 H38 N16 O36 S2 -","- C56 H38 N16 O36 S2 -","1","0.5","XU5732","Arman, Hadi D.; Miller, Tyler; Poplaukhin, Pavel; Tiekink, Edward R. T.","The co-crystal <i>N</i>,<i>N</i>'-bis[(pyridin-1-ium-2-yl)methyl]ethanedithioamide bis(2,6-dinitrobenzoate)‒2,6-dinitrobenzoic acid (1/4)","Acta Crystallographica Section E","2013","69","10","o1506","o1507","10.1107/S1600536813023490","","","0.71069","MoKα","","0.0855","0.0645","","","0.1502","0.1655","","","","","","1.064","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238688","5.601","0.004","7.78","0.005","29.7","0.02","90","","94.624","0.016","90","","1290","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(3-Formylphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","","- C17 H12 N2 O2 -","- C17 H12 N2 O2 -","- C68 H48 N8 O8 -","4","1","XU5735","Mili, Assia; Benosmane, Ali; Benaouida, Mohamed Amine; Bouchoul, Abdelkader; Bouaoud, Salah Eddine","(<i>E</i>)-1-(3-Formylphenyl)-2-(2-oxidonaphthalen-1-yl)diazen-1-ium","Acta Crystallographica Section E","2013","69","10","o1498","","10.1107/S1600536813024112","","","0.71073","MoKα","","0.1272","0.0573","","","0.1249","0.1543","","","","","","1.007","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238689","6.8551","0.0014","18.892","0.004","10.716","0.003","90","","126.87","0.02","90","","1110.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[[triaquacopper(II)]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","","- C9 H10 Cu O9 -","- C9 H10 Cu O9 -","- C36 H40 Cu4 O36 -","4","1","XU5736","Ma, Yu-Hong; Ma, Pi-Zhuang; Yao, Ting; Hao, Jing-Tuan","<i>catena</i>-Poly[[triaquacopper(II)]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]","Acta Crystallographica Section E","2013","69","10","m538","","10.1107/S1600536813024781","","","0.71073","MoKα","","0.0476","0.0396","","","0.0793","0.083","","","","","","1.012","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238690","6.8028","0.0012","8.4263","0.0013","11.868","0.002","89.774","0.009","83.113","0.009","70.356","0.008","635.6","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-{(<i>E</i>)-[(2<i>Z</i>)-2-(1,2-Dihydrophthalazin-1-ylidene)hydrazinylidene]methyl}phenol","","- C15 H12 N4 O -","- C15 H12 N4 O -","- C30 H24 N8 O2 -","2","1","ZL2563","Prasanna, M. K.; Sithambaresan, M.; Pradeepkumar, K.; Kurup, M. R. Prathapachandra","2-{(<i>E</i>)-[(2<i>Z</i>)-2-(1,2-Dihydrophthalazin-1-ylidene)hydrazinylidene]methyl}phenol","Acta Crystallographica Section E","2013","69","10","o1522","o1523","10.1107/S1600536813024203","","","0.71073","MoKα","","0.0611","0.0411","","","0.1006","0.1174","","","","","","1.029","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238691","7.487","0.0007","10.205","0.0014","22.232","0.002","90","","90","","90","","1698.6","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(3<i>S</i>,3a<i>S</i>,6<i>R</i>,6a<i>R</i>)-2-Oxohexahydrofuro[3,2-<i>b</i>]furan-3,6-diyl dibenzoate","","- C20 H16 O7 -","- C20 H16 O7 -","- C80 H64 O28 -","4","1","ZP2007","Piccialli, Vincenzo; Oliviero, Giorgia; Zaccaria, Sabrina; Centore, Roberto; Tuzi, Angela","(3<i>S</i>,3a<i>S</i>,6<i>R</i>,6a<i>R</i>)-2-Oxohexahydrofuro[3,2-<i>b</i>]furan-3,6-diyl dibenzoate","Acta Crystallographica Section E","2013","69","10","o1494","o1495","10.1107/S160053681302391X","","","0.71073","MoKα","","0.0469","0.0344","","","0.0729","0.0782","","","","","","1.069","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238692","10.904","0.005","10.765","0.005","11.405","0.005","90","","91.681","0.005","90","","1338.2","1.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methyl 8-bromo-3-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-1-methyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate","","","- C30 H29 Br N2 O5 -","- C30 H29 Br N2 O5 -","- C60 H58 Br2 N4 O10 -","2","1","ZS2268","Sharmila, P.; Jagadeesan, G.; Raju, Rajesh; Raghavachary, Raghunathan; Aravindhan, S.","Methyl 8-bromo-3-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-1-methyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-<i>b</i>]pyrrole-3a-carboxylate","Acta Crystallographica Section E","2013","69","10","o1570","","10.1107/S1600536813024963","","","0.71073","MoKα","","0.0429","0.0297","","","0.0617","0.0652","","","","","","0.96","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238693","8.926","0.004","12.767","0.006","9.196","0.004","90","","90","","90","","1048","0.8","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","Poly[tetramethylammonium [tri-μ~2~-formato-κ^6^<i>O</i>:<i>O</i>'-manganate(II)]]","","- C7 H15 Mn N O6 -","- C7 H15 Mn N O6 -","- C28 H60 Mn4 N4 O24 -","4","0.5","ZS2272","Han, Cai-Yun; Liu, Min-Min; Dang, Qin-Qin","Poly[tetramethylammonium [tri-μ~2~-formato-κ^6^<i>O</i>:<i>O</i>'-manganate(II)]]","Acta Crystallographica Section E","2013","69","10","m541","","10.1107/S1600536813024045","","","0.71073","MoKα","","0.0317","0.0265","","","0.0691","0.0747","","","","","","0.981","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238694","13.138","0.002","10.0323","0.0019","17.838","0.003","90","","90","","90","","2351.1","0.7","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","<i>N</i>-<i>p</i>-Tolyl-1,3-selenazolo[5,4-<i>b</i>]pyridin-2-amine","","- C13 H11 N3 Se -","- C13 H11 N3 Se -","- C104 H88 N24 Se8 -","8","1","ZS2275","Wu, Zhaojun; Li, Yiqun; Zhou, Hua; Zhou, Meiyun","<i>N</i>-<i>p</i>-Tolyl-1,3-selenazolo[5,4-<i>b</i>]pyridin-2-amine","Acta Crystallographica Section E","2013","69","10","o1497","","10.1107/S1600536813023659","","","1.54178","CuKα","","0.1245","0.0939","","","0.2853","0.3141","","","","","","1.279","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238695","6.2076","0.0003","6.2076","0.0003","29.8731","0.0013","90","","90","","120","","996.92","0.08","100","","100","","","","","","","","","4","P 61","P 61","169","(<i>R</i>)-(-)-1-Azabicyclo[2.2.2]octan-3-ol","(<i>R</i>)-(-)-Quinuclidin-3-ol","","- C7 H13 N O -","- C7 H13 N O -","- C42 H78 N6 O6 -","6","1","BG2517","Rousselin, Yoann; Clavel, Alexandre; Bonnaventure, Isabelle","(<i>R</i>)-({-})-Quinuclidin-3-ol","Acta Crystallographica Section E","2013","69","11","o1672","","10.1107/S1600536813026998","","","1.54178","CuKα~1~","","0.0234","0.0234","","","0.0642","0.0642","","","","","","1.153","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238696","17.8654","0.0012","6.9444","0.0005","21.1462","0.0016","90","","90.122","0.007","90","","2623.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 1-allyl-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate","","- C13 H13 N O5 S -","- C13 H13 N O5 S -","- C104 H104 N8 O40 S8 -","8","2","BG2518","Shishkina, Svitlana V.; Ukrainets, Igor V.; Petrushova, Lidiya A.","Methyl 1-allyl-4-hydroxy-2,2-dioxo-1<i>H</i>-2λ^6^,1-benzothiazine-3-carboxylate","Acta Crystallographica Section E","2013","69","11","o1698","","10.1107/S1600536813028572","","","0.71073","MoKα","","0.0873","0.0692","","","0.2072","0.2182","","","","","","1.148","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238697","8.6925","0.0004","5.9266","0.0002","22.6456","0.0009","90","","95.423","0.004","90","","1161.41","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-3-(4-Fluorophenyl)-1-phenylprop-2-en-1-one","","- C15 H11 F O -","- C15 H11 F O -","- C60 H44 F4 O4 -","4","1","BH2484","Arias-Ruiz, Saira N.; Romero, Nancy; Lobato-García, Carlos E.; Gómez-Rivera, Abraham; Mendoza, Angel","Second monoclinic form of (<i>E</i>)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one","Acta Crystallographica Section E","2013","69","11","o1694","o1695","10.1107/S1600536813028079","","","0.71073","MoKα","","0.0749","0.0454","","","","0.1312","","","","","","1.011","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238698","7.2248","0.0004","8.7718","0.0005","10.1549","0.0005","85.504","0.003","71.087","0.002","68.659","0.002","566.5","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Uronium 3-carboxy-4-hydroxybenzenesulfonate","","- C8 H10 N2 O7 S -","- C8 H10 N2 O7 S -","- C16 H20 N4 O14 S2 -","2","1","BH2485","Silambarasan, A.; Kumar, M. Krishna; Chakkaravarthi, G.; Kumar, R. Mohan; Umarani, P. R.","Uronium 3-carboxy-4-hydroxybenzenesulfonate","Acta Crystallographica Section E","2013","69","11","o1725","","10.1107/S1600536813029474","","","0.71073","MoKα","","0.0447","0.0367","","","0.1035","0.1099","","","","","","1.047","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238699","12.375","0.0008","12.1901","0.0008","14.1713","0.0009","90","","115.023","0.001","90","","1937.1","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[4-(dimethylamino)pyridinium] tetrachloridocuprate(II)","","- C14 H22 Cl4 Cu N4 -","- C14 H22 Cl4 Cu N4 -","- C56 H88 Cl16 Cu4 N16 -","4","0.5","BQ2389","Bouacida, Sofiane; Bouchene, Rafika; Khadri, Amina; Belhouas, Ratiba; Merazig, Hocine","Bis[4-(dimethylamino)pyridinium] tetrachloridocuprate(II)","Acta Crystallographica Section E","2013","69","11","m610","m611","10.1107/S1600536813028006","","","0.71073","MoKα","","0.0277","0.0213","","","0.0565","0.0594","","","","","","1.054","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238700","28.7522","0.0009","11.1809","0.0004","16.5584","0.0005","90","","115.303","0.002","90","","4812.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-Isopropyl-1-{2-[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]acetyl}-2,6-diphenylpiperidin-4-one hemihydrate","","- C24 H28 N5 O2.5 S -","- C24 H28 N5 O2.5 S -","- C192 H224 N40 O20 S8 -","8","1","BT6930","Ganesan, S.; Sugumar, P.; Ananthan, S.; Ponnuswamy, M. N.","3-Isopropyl-1-{2-[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]acetyl}-2,6-diphenylpiperidin-4-one hemihydrate","Acta Crystallographica Section E","2013","69","11","o1598","","10.1107/S1600536813026500","","","0.71073","MoKα","","0.0729","0.0455","","","0.1238","0.1464","","","","","","1.041","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2238701","7.0994","0.0014","25.014","0.005","9.4083","0.0019","90","","90","","90","","1670.8","0.6","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,3-Bis(furan-2-yl)pyrazino[2,3-<i>f</i>][1,10]phenanthroline","","- C22 H12 N4 O2 -","- C22 H12 N4 O2 -","- C88 H48 N16 O8 -","4","0.5","BT6933","Dong, Wen-xian; Tong, Rong-rong; Zheng, Chang-ge","2,3-Bis(furan-2-yl)pyrazino[2,3-<i>f</i>][1,10]phenanthroline","Acta Crystallographica Section E","2013","69","11","o1613","","10.1107/S160053681302641X","","","0.71073","MoKα","","0.0616","0.051","","","0.1089","0.1144","","","","","","1.184","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238702","11.2088","0.0004","13.471","0.0005","18.9133","0.0007","69.648","0.001","80.124","0.001","68.521","0.001","2488.37","0.16","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","Poly[[(μ~2~-benzene-1,3-dicarboxylato){μ~2~-1,4-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene}cadmium] dimethylformamide monosolvate]","","- C25 H25 Cd N5 O5 -","- C25 H25 Cd N5 O5 -","- C100 H100 Cd4 N20 O20 -","4","2","BT6934","Chen, Yan; Wang, Daguang; He, Liang; Li, Wei; Suo, Jian","Poly[[(μ~2~-benzene-1,3-dicarboxylato){μ~2~-1,4-bis[(1<i>H</i>-imidazol-1-yl)methyl]benzene}cadmium] dimethylformamide monosolvate]","Acta Crystallographica Section E","2013","69","11","m616","m617","10.1107/S1600536813028298","","","0.71073","MoKα","","0.058","0.0337","","","0.0824","0.0952","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2238703","8.6049","0.0005","7.1949","0.0003","26.8195","0.0015","90","","101.186","0.004","90","","1628.89","0.15","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3a<i>R</i>,6<i>S</i>,7a<i>R</i>)-7a-Chloro-6-methyl-2-(4-nitrophenylsulfonyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole","","- C15 H15 Cl N2 O5 S -","- C15 H15 Cl N2 O5 S -","- C60 H60 Cl4 N8 O20 S4 -","4","1","BT6935","Demircan, Aydın; Temel, Ersin; Kandemir, Muhammet Kasım; Çolak, Medine; Büyükgüngör, Orhan","(3a<i>R</i>,6<i>S</i>,7a<i>R</i>)-7a-Chloro-6-methyl-2-(4-nitrophenylsulfonyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole","Acta Crystallographica Section E","2013","69","11","o1628","o1629","10.1107/S1600536813026329","","","0.71073","MoKα","","0.1448","0.0675","","","0.1637","0.1916","","","","","","0.89","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238704","13.8922","0.0007","10.4531","0.0009","7.8696","0.0005","90","","101.682","0.006","90","","1119.12","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Dichloromethyl-4-methyl-5-(nitromethyl)cyclohex-2-enone","","- C9 H11 Cl2 N O3 -","- C9 H11 Cl2 N O3 -","- C36 H44 Cl8 N4 O12 -","4","1","BT6936","Novaković, Sladjana B.; Rodić, Marko V.; Jaćimović, Željko K.; Ratković, Zoran; Sukdolak, Slobodan","4-Dichloromethyl-4-methyl-5-(nitromethyl)cyclohex-2-enone","Acta Crystallographica Section E","2013","69","11","o1638","","10.1107/S1600536813027517","","","1.5418","CuKα","","0.086","0.0725","","","0.2016","0.2144","","","","","","1.131","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238705","6.5835","0.0002","9.2584","0.0003","12.8428","0.0005","85.14","0.003","84.795","0.003","89.067","0.003","776.74","0.05","180","2","180","2","","","","","","","","4","P 1","P 1","1","","(1<i>R</i>,4<i>R</i>,6<i>S</i>,7<i>S</i>)-5,5-Dichloro-1,4,8,8-tetramethyltricyclo[5.4.1^1,7^.0^4,6^]dodecan-12-one","","- C16 H24 Cl2 O -","- C16 H24 Cl2 O -","- C32 H48 Cl4 O2 -","2","2","BT6937","Benharref, Ahmed; EL Karroumi, Jamal; Daran, Jean-Claude; Berraho, Moha","(1<i>R</i>,4<i>R</i>,6<i>S</i>,7<i>S</i>)-5,5-Dichloro-1,4,8,8-tetramethyltricyclo[5.4.1^1,7^.0^4,6^]dodecan-12-one","Acta Crystallographica Section E","2013","69","11","o1703","","10.1107/S1600536813028791","","","0.71073","MoKα","","0.0366","0.0303","","","0.0685","0.0702","","","","","","1.045","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238706","13.6014","0.0012","15.2064","0.0013","6.2738","0.0006","90","","113.587","0.003","90","","1189.19","0.19","295","2","295","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-di-μ-perchlorato-κ^4^<i>O</i>:<i>O</i>'-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]","","- C20 H18 Cl2 Cu2 N4 O10 -","- C20 H18 Cl2 Cu2 N4 O10 -","- C40 H36 Cl4 Cu4 N8 O20 -","2","0.25","BT6938","Saravanan, B.; Jayamani, A.; Sengottuvelan, N.; Chakkaravarthi, G.; Manivannan, V.","Di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-di-μ-perchlorato-κ^4^<i>O</i>:<i>O</i>'-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II)]","Acta Crystallographica Section E","2013","69","11","m600","","10.1107/S1600536813027852","","","0.71073","MoKα","","0.0321","0.0263","","","0.0728","0.077","","","","","","1.026","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238707","6.5865","0.0002","17.2263","0.0006","14.7778","0.0006","90","","90","","90","","1676.7","0.1","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","Natrium selenite pentahydrate","Disodium selenate(IV) pentahydrate","","- H10 Na2 O8 Se -","- H10 Na2 O8 Se -","- H80 Na16 O64 Se8 -","8","1","BT6939","Mereiter, Kurt","Sodium selenite pentahydrate, Na~2~SeO~3~·5H~2~O","Acta Crystallographica Section E","2013","69","11","i77","i78","10.1107/S1600536813028602","","","0.71073","MoKα","","0.0161","0.0154","","","0.0389","0.0391","","","","","","1.068","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238708","9.5817","0.0003","13.9439","0.0003","12.4804","0.0004","90","","109.832","0.003","90","","1568.57","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Hydroxy-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-6(5<i>H</i>)-one dihydrate","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C60 H64 N16 O24 -","4","1","BT6940","Yamuna, Thammarse S.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H.S.; Kaur, Manpreet","4-Hydroxy-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-6(5<i>H</i>)-one dihydrate","Acta Crystallographica Section E","2013","69","11","o1707","o1708","10.1107/S1600536813028900","","","1.54184","CuKα","","0.0442","0.0409","","","0.1107","0.1146","","","","","","1.034","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238709","17.235","0.003","6.736","0.001","23.074","0.005","90","","108.61","0.03","90","","2538.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexaaquabis[3,5-bis(hydroxyimino)-1-methyl-2,4,6-trioxocyclohexanido-κ^2^<i>N</i>^3^,<i>O</i>^4^]barium tetrahydrate","","- C14 H30 Ba N4 O20 -","- C14 H30 Ba N4 O20 -","- C56 H120 Ba4 N16 O80 -","4","0.5","BV2225","Dinh Do, Nguyen; Kovalchukova, Olga; Stash, Adam; Strashnova, Svetlana","Hexaaquabis[3,5-bis(hydroxyimino)-1-methyl-2,4,6-trioxocyclohexanido-κ^2^<i>N</i>^3^,<i>O</i>^4^]barium tetrahydrate","Acta Crystallographica Section E","2013","69","11","m602","m603","10.1107/S1600536813027761","","","0.71073","MoKα","","0.0656","0.0178","","","0.0458","0.0481","","","","","","0.976","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238710","7.7126","0.0002","18.2039","0.0005","16.3534","0.0004","90","","99.371","0.003","90","","2265.37","0.1","293","2","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[2,6-Difluoro-3-(pyridin-2-yl-κ<i>N</i>)pyridin-4-yl-κ<i>C</i>^4^](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')iridium(III)","","- C25 H17 F4 Ir N4 O2 -","- C25 H17 F4 Ir N4 O2 -","- C100 H68 F16 Ir4 N16 O8 -","4","1","BX2449","Luo, Kaijun; Zhang, Chenyang; Jia, Juan; Luo, Daibing","[2,6-Difluoro-3-(pyridin-2-yl-κ<i>N</i>)pyridin-4-yl-κ<i>C</i>^4^](pentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')iridium(III)","Acta Crystallographica Section E","2013","69","11","m590","","10.1107/S1600536813026160","","","0.7107","MoKα","","0.0467","0.0322","","","0.0607","0.0661","","","","","","1.031","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238711","18.082","0.006","11.129","0.004","10.617","0.003","90","","95.33","0.006","90","","2127.3","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-Bis(4-isopropylbenzylidene)thiocarbonohydrazide","","- C21 H26 N4 S -","- C21 H26 N4 S -","- C84 H104 N16 S4 -","4","1","CV5428","Han, Yan-Hua; Zhao, Qiao; Wang, Yong","1,5-Bis(4-isopropylbenzylidene)thiocarbonohydrazide","Acta Crystallographica Section E","2013","69","11","o1663","","10.1107/S1600536813027293","","","0.71073","MoKα","","0.1603","0.0775","","","0.1892","0.2362","","","","","","1.076","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238712","13.8594","0.0017","13.8594","0.0017","8.01","0.0014","90","","90","","120","","1332.5","0.3","153","2","153","2","","","","","","","","5","P -3","-P 3","147","","Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>')trizinc(II)]","","- C21 H27 N3 O15 Zn3 -","- C21 H27 N3 O15 Zn3 -","- C42 H54 N6 O30 Zn6 -","2","0.333333","CV5429","Sim, Jaeung; Kim, Taemin; Yang, Jin Kuk","Poly[(μ~6~-benzene-1,3,5-tricarboxylato-κ^6^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^:<i>O</i>^5'^)tris(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)tris(μ~3~-formato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>')trizinc(II)]","Acta Crystallographica Section E","2013","69","11","m619","","10.1107/S1600536813028687","","","0.71073","MoKα","","0.0543","0.0398","","","0.078","0.0893","","","0.809","","","0.809","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238713","11.1397","0.0006","15.6579","0.0008","7.3952","0.0004","90","","101.332","0.001","90","","1264.76","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-4-(2-phenyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)furazan","","- C14 H10 N6 O -","- C14 H10 N6 O -","- C56 H40 N24 O4 -","4","1","CV5430","Suponitsky, Kyrill Yu.; Chernyshev, Victor M.; Palysaeva, Nadezhda V.; Sheremetev, Aleksei B.","3-Methyl-4-(2-phenyl-1,2,4-triazolo[1,5-<i>a</i>]pyrimidin-7-yl)furazan","Acta Crystallographica Section E","2013","69","11","o1648","o1649","10.1107/S1600536813027700","","","0.71073","MoKα","","0.0498","0.0419","","","0.111","0.1176","","","","","","1.024","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238714","10.6055","0.0005","12.2181","0.0006","14.9774","0.0007","88.06","0.003","73.093","0.004","74.179","0.003","1784.35","0.16","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-[2-(2,2-Dimethylpropanamido)pyrimidin-4-yl]-2,2-dimethylpropanamide <i>n</i>-hexane 0.25-solvate hemihydrate","","- C31 H53 N8 O5 -","- C31 H53 N8 O5 -","- C62 H106 N16 O10 -","2","1","CV5431","Ośmiałowski, Borys; Valkonen, Arto; Checińska, Lilianna","<i>N</i>-[2-(2,2-Dimethylpropanamido)pyrimidin-4-yl]-2,2-dimethylpropanamide <i>n</i>-hexane 0.25-solvate hemihydrate","Acta Crystallographica Section E","2013","69","11","o1617","o1618","10.1107/S160053681302713X","","","0.71073","MoKα","","0.1609","0.0786","","","0.1319","0.1636","","","","","","1.043","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238715","18.853","0.012","7.512","0.005","6.364","0.004","90","","95.674","0.01","90","","896.9","1","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(hexyloxy)benzene","","- C18 H30 O2 -","- C18 H30 O2 -","- C36 H60 O4 -","2","0.5","CV5434","Cheng, Hua","1,4-Bis(hexyloxy)benzene","Acta Crystallographica Section E","2013","69","11","o1721","","10.1107/S1600536813029024","","","0.71073","MoKα","","0.1327","0.0665","","","0.1824","0.2384","","","","","","0.985","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238716","16.0285","0.0011","4.3862","0.0004","14.3684","0.001","90","","90","","90","","1010.16","0.14","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Thulium nickel/lithium distannide","","- Li0.035 Ni0.965 Sn2 Tm -","- Li0.035 Ni0.965 Sn2 Tm -","- Li0.42 Ni11.58 Sn24 Tm12 -","12","1.5","FF2120","Stetskiv, Andrij; Tarasiuk, Ivan; Misztal, Renata; Pavlyuk, Volodymyr","Thulium nickel/lithium distannide, TmNi~1{-~<i>x</i>}Li~<i>x~</i>Sn~2~ (<i>x</i> = 0.035)","Acta Crystallographica Section E","2013","69","11","i76","","10.1107/S1600536813027335","","","0.71073","MoKα","","0.0381","0.0264","","","0.0522","0.0598","","","","","","1.184","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238717","12.7397","0.0018","11.361","0.0016","15.611","0.002","90","","101.405","0.004","90","","2214.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,4'-Oxybis(2,6-dimethylpyridinium) bis(trifluoromethanesulfonate)","","- C16 H18 F6 N2 O7 S2 -","- C16 H18 F6 N2 O7 S2 -","- C64 H72 F24 N8 O28 S8 -","4","1","FF2121","Stubbs, Amanda W.; Golen, James A.; Rheingold, Arnold L.; Manke, David R.","4,4'-Oxybis(2,6-dimethylpyridinium) bis(trifluoromethanesulfonate)","Acta Crystallographica Section E","2013","69","11","o1633","o1634","10.1107/S1600536813027505","","","0.71073","MoKα","","0.0621","0.049","","","0.1171","0.1252","","","","","","1.091","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238718","11.8399","0.0007","11.8399","0.0007","19.711","0.0012","90","","90","","120","","2393","0.2","298","2","298","2","","","","","","","","6","R -3 :H","-R 3","148","","Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc(II) polyiodide","","- C12 H36 I4 O6 S6 Zn -","- C12 H36 I4 O6 S6 Zn -","- C36 H108 I12 O18 S18 Zn3 -","3","0.166667","FJ2643","Garzón-Tovar, Luis; Duarte-Ruiz, Álvaro; Fanwick, Phillip E.","Hexakis(dimethyl sulfoxide-κ<i>O</i>)zinc(II) polyiodide","Acta Crystallographica Section E","2013","69","11","m618","","10.1107/S1600536813028377","","","0.71073","MoKα","","0.066","0.047","","","0.09","0.104","","","","","","1.174","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2238719","9.4483","0.0005","9.8197","0.0003","11.5307","0.0004","104.067","0.001","103.026","0.001","100.475","0.001","978.83","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dichlorido{2-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]-<i>N</i>-phenylhydrazinecarboxamide-κ^2^<i>N</i>^2^,<i>O</i>}copper(II)","","- C19 H16 Cl2 Cu N4 O -","- C19 H16 Cl2 Cu N4 O -","- C38 H32 Cl4 Cu2 N8 O2 -","2","1","FJ2644","Aiswarya, N.; Sithambaresan, M.; Kurup, M. R. Prathapachandra; Ng, Seik Weng","Dichlorido{2-[(<i>E</i>)-phenyl(pyridin-2-yl-κ<i>N</i>)methylidene]-<i>N</i>-phenylhydrazinecarboxamide-κ^2^<i>N</i>^2^,<i>O</i>}copper(II)","Acta Crystallographica Section E","2013","69","11","m588","m589","10.1107/S1600536813026883","","","0.71073","MoKα","","0.047","0.0344","","","0.084","0.0917","","","","","","1.008","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238720","38.8025","0.001","9.7675","0.0002","6.09571","0.00013","90","","90","","90","","2310.29","0.09","173","2","173","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","Bis-[1-(benzo[1,3]dioxol-5-yl-methyl)piperazinyl]methane","Bis{4-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methane","","- C25 H32 N4 O4 -","- C25 H32 N4 O4 -","- C100 H128 N16 O16 -","4","1","FJ2646","Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet","Bis{4-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methane","Acta Crystallographica Section E","2013","69","11","o1669","","10.1107/S1600536813028109","","","1.54184","CuKα","","0.0454","0.0411","","","0.104","0.1077","","","","","","1.022","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238721","3.8146","0.0008","11.2571","0.0018","16.904","0.003","72.456","0.016","85.03","0.018","84.468","0.016","687.6","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","Dimethyl 4,4'-(diazenediyl)dibenzoate","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C32 H28 N4 O8 -","2","1","FK2074","Gajda, Katarzyna; Zarychta, Bartosz; Domański, Andrzej A.; Ejsmont, Krzysztof","Dimethyl 4,4'-(diazenediyl)dibenzoate at 100K","Acta Crystallographica Section E","2013","69","11","o1607","","10.1107/S1600536813026846","","","0.71073","MoKα","","0.0725","0.048","","","0.1367","0.1474","","","","","","1.05","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238722","9.8741","0.0013","13.0544","0.0018","13.365","0.002","90","","100.878","0.004","90","","1691.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(3-Nitrophenyl)-3-phenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one","","- C20 H14 N2 O3 S -","- C20 H14 N2 O3 S -","- C80 H56 N8 O12 S4 -","4","1","FY2105","Yennawar, Hemant P.; Silverberg, Lee J.; Minehan, Michael J.; Tierney, John","2-(3-Nitrophenyl)-3-phenyl-2,3-dihydro-4<i>H</i>-1,3-benzothiazin-4-one","Acta Crystallographica Section E","2013","69","11","o1679","","10.1107/S1600536813028389","","","0.71073","MoKα","","0.0379","0.0335","","","0.0848","0.0882","","","","","","1.041","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238723","11.353","0.003","8.093","0.002","14.607","0.004","90","","112.582","0.004","90","","1239.2","0.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Acetyl-3-[2-(ethoxycarbonyl)phenyl]sydnone","4-Acetyl-3-[2-(ethoxycarbonyl)phenyl]-1,2,3-oxadiazol-3-ylium-5-olate","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C52 H48 N8 O20 -","4","1","GG2123","Grossie, David; Harrison, Leanna; Turnbull, Kenneth","4-Acetyl-3-[2-(ethoxycarbonyl)phenyl]sydnone","Acta Crystallographica Section E","2013","69","11","o1662","","10.1107/S1600536813027207","","","0.71073","MoKα","","0.0731","0.0504","","0.1213","0.1121","0.1213","","","","","","0.9597","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238724","5.1524","0.0002","11.1467","0.0004","12.4478","0.0005","90","","99.967","0.004","90","","704.12","0.05","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(<i>L</i>-serinium) oxalate dihydrate","","- C8 H20 N2 O12 -","- C8 H20 N2 O12 -","- C16 H40 N4 O24 -","2","1","GK2581","Kulik, Marta; Pazio, Aleksandra; Wozniak, Krzysztof","Bis(<small>L</small>-serinium) oxalate dihydrate: polymorph II","Acta Crystallographica Section E","2013","69","11","o1667","o1668","10.1107/S160053681302727X","","","0.71073","MoKα","","0.0445","0.0316","","","0.0621","0.0653","","","","","","1.009","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238725","10.8411","0.0005","11.5923","0.0004","34.8078","0.0012","90","","90","","90","","4374.4","0.3","183","","183","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","Rubidium pentaaqua(<i>L</i>-serine)cobalt(II) hexahydrogenhexamolybdocobaltate(III) <i>L</i>-serine monosolvate decahydrate","","- C6 H50 Co2 Mo6 N2 O45 Rb -","- C6 H14 Co2 Mo6 N2 O45 Rb -","- C24 H56 Co8 Mo24 N8 O180 Rb4 -","4","1","HB7134","Iijima, Jun; Naruke, Haruo; Takiyama, Hiroshi","Rubidium pentaaqua(<small>L</small>-serine)cobalt(II) hexahydrogenhexamolybdocobaltate(III) <small>L</small>-serine monosolvate decahydrate","Acta Crystallographica Section E","2013","69","11","m612","m613","10.1107/S1600536813028304","","","0.71075","MoKα","","","0.0362","","","","0.0987","","","","","","1.038","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238726","10.4924","0.001","10.0614","0.001","11.0379","0.0011","90","","90.136","0.002","90","","1165.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>-(4-Fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine","","- C12 H16 F N O2 -","- C12 H16 F N O2 -","- C48 H64 F4 N4 O8 -","4","1","HB7138","Rambabu, Gottimukkala; Fatima, Zeenat; Reddy, Bandapalli Palakshi; Vijayakumar, Vijayaparthasarathi; Velmurugan, Devadasan","<i>N</i>-(4-Fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine","Acta Crystallographica Section E","2013","69","11","o1602","","10.1107/S1600536813026561","","","0.71073","MoKα","","0.0558","0.0407","","","0.1141","0.1293","","","","","","1.014","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238727","18.891","0.005","9.9619","0.0005","9.5029","0.0008","90","","90.799","0.013","90","","1788.2","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pimobendan B form","(<i>RS</i>)-6-[2-(4-Methoxyphenyl)-1<i>H</i>-benzimidazol-5-yl]-5-methyl-4,5-dihydropyridazin-3(2<i>H</i>)-one","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C76 H72 N16 O8 -","4","1","HB7139","Zvirgzdins, Alvis; Delina, Mara; Mishnev, Anatoly; Actins, Andris","Pimobendan B from powder diffraction data","Acta Crystallographica Section E","2013","69","11","o1677","","10.1107/S1600536813028353","powder diffraction","","1.54184","CuKα","","","","","","","","","","1.3","","","","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238728","7.1943","0.0008","7.3259","0.0008","13.2263","0.0015","85.124","0.002","85.542","0.002","72.938","0.002","662.98","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","1-(5,5-Dimethoxypentyl)-3-methylimidazolium-2-carboxylate","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C24 H40 N4 O8 -","2","1","HB7143","Walter, Olaf","1-(5,5-Dimethoxypentyl)-3-methylimidazolium-2-carboxylate","Acta Crystallographica Section E","2013","69","11","o1611","","10.1107/S1600536813027013","","","0.71073","MoKα","","0.09","0.0539","","","0.1598","0.1783","","","","","","1.034","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238729","11.1852","0.0004","7.4037","0.0004","20.9189","0.0008","90","","94.408","0.003","90","","1727.21","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","<i>N</i>-(1,3-Benzothiazol-2-yl)acetamide","<i>N</i>-(1,3-Benzothiazol-2-yl)acetamide","","- C9 H8 N2 O S -","- C9 H8 N2 O S -","- C72 H64 N16 O8 S8 -","8","2","HB7144","Nayak, Prakash S.; Narayana, B.; Jasinski, Jerry P.; Yathirajan, H. S.; Kaur, Manpreet","<i>N</i>-(1,3-Benzothiazol-2-yl)acetamide","Acta Crystallographica Section E","2013","69","11","o1622","","10.1107/S160053681302730X","","","0.71073","MoKα","","0.0624","0.0439","","","0.1001","0.1093","","","","","","1.08","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238730","10.907","0.003","11.302","0.003","13.169","0.002","106.45","0.04","107.71","0.04","105.34","0.04","1369.5","1","295","","295","","","","","","","","","6","P -1","-P 1","2","","Tetraquinolinium ditelluro(VI)octavanadate(V) octahydrate","","- C36 H48 N4 O36 Te2 V8 -","- C36 H48 N4 O36 Te2 V8 -","- C36 H48 N4 O36 Te2 V8 -","1","0.5","HB7146","Toumi, Sirine; Toumi, Samah Akriche; Rzaigui, Mohamed","Tetraquinolinium ditelluro(VI)octavanadate(V) octahydrate","Acta Crystallographica Section E","2013","69","11","m595","m596","10.1107/S1600536813027347","","","0.56087","AgKα","","0.2169","0.115","","","0.2635","0.3079","","","","","","1.047","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238731","14.4115","0.0008","6.2128","0.0003","27.5992","0.0015","90","","104.379","0.002","90","","2393.7","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>N</i>'-[(<i>E</i>)-3-Bromobenzylidene]pyrazine-2-carbohydrazide","","- C12 H9 Br N4 O -","- C12 H9 Br N4 O -","- C96 H72 Br8 N32 O8 -","8","1","HB7147","Ahmad, Mushtaq; Hameed, Shahid; Tahir, M. Nawaz; Anwar, Muhammad; Israr, Muhammad","<i>N</i>'-[(<i>E</i>)-3-Bromobenzylidene]pyrazine-2-carbohydrazide","Acta Crystallographica Section E","2013","69","11","o1635","","10.1107/S1600536813027426","","","0.71073","MoKα","","0.0544","0.0292","","","0.0666","0.0747","","","","","","1.021","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238732","11.753","0.002","13.086","0.003","13.165","0.003","77.69","0.03","66.05","0.03","81.73","0.03","1804.2","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Triphenyltelluronium(IV) bromide acetone hemisolvate","","- C39 H36 Br2 O Te2 -","- C39 H36 Br2 O Te2 -","- C78 H72 Br4 O2 Te4 -","2","1","HB7149","Närhi, Sari M.; Oilunkaniemi, Raija; Laitinen, Risto S.","Triphenyltelluronium(IV) bromide acetone hemisolvate","Acta Crystallographica Section E","2013","69","11","o1666","","10.1107/S160053681302816X","","","0.71073","MoKα","","0.0458","0.0374","","","0.0996","0.1061","","","","","","1.006","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238733","7.3071","0.0005","8.079","0.0007","11.3878","0.0011","82.678","0.008","83.642","0.007","72.309","0.007","633.41","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","2-[4-(Trifluoromethyl)phenylsulfanyl]benzoic acid","","- C14 H9 F3 O2 S -","- C14 H9 F3 O2 S -","- C28 H18 F6 O4 S2 -","2","1","HB7150","Yamuna, Thammarse S.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H.S.; Kaur, Manpreet","2-[4-(Trifluoromethyl)phenylsulfanyl]benzoic acid","Acta Crystallographica Section E","2013","69","11","o1704","","10.1107/S1600536813028778","","","1.54184","CuKα","","0.0622","0.054","","","0.1449","0.1554","","","","","","1.038","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238734","12.393","0.004","13.433","0.005","12.877","0.005","90","","112.49","0.02","90","","1980.7","1.3","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(3,5-Difluorophenyl)-4,4,4-trifluorobutane-1,3-dione","","- C10 H5 F5 O2 -","- C10 H5 F5 O2 -","- C80 H40 F40 O16 -","8","1","HB7151","Manoj Kumar, K.E.; Palakshamurthy, B. S.; Suchetan, P. A.; Madan Kumar, S.; Lokanath, N.K.; Sreenivasa, S.","1-(3,5-Difluorophenyl)-4,4,4-trifluorobutane-1,3-dione","Acta Crystallographica Section E","2013","69","11","o1705","","10.1107/S1600536813028535","","","0.71073","MoKα","","0.0888","0.0743","","","0.2195","0.2389","","","","","","1.082","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238735","6.9731","0.0002","10.231","0.0003","11.9955","0.0003","92.024","0.001","90.176","0.001","106.497","0.001","819.96","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(6-Methoxy-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","","- C17 H19 N O3 S2 -","- C17 H19 N O3 S2 -","- C34 H38 N2 O6 S4 -","2","1","HB7152","Kumar, K. Mahesh; Vinduvahini, M.; Mahabhaleshwaraiah, N. M.; Kotresh, O.; Devarajegowda, H. C.","(6-Methoxy-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate","Acta Crystallographica Section E","2013","69","11","o1683","","10.1107/S1600536813028432","","","0.71073","MoKα","","0.0462","0.0371","","","0.1015","0.1091","","","","","","1.037","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238736","8.5289","0.0005","8.363","0.0005","15.5645","0.0009","90","","105.298","0.0006","90","","1070.83","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,8-Dibromobenzocyclo-octateraene","(5<i>Z</i>,7<i>Z</i>,9<i>Z</i>)-5,10-Dibromobenzo[8]annulene","","- C12 H8 Br2 -","- C12 H8 Br2 -","- C48 H32 Br8 -","4","1","HG5345","Bender, Christopher O.; Boeré, René T.","(5<i>Z</i>,7<i>Z</i>,9<i>Z</i>)-5,10-Dibromobenzo[8]annulene","Acta Crystallographica Section E","2013","69","11","o1641","","10.1107/S1600536813027797","","","0.71073","MoKα","","0.0207","0.0174","","","0.0385","0.0394","","","","","","1.039","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238737","6.938","0.004","14.694","0.008","10.379","0.006","90","","108.598","0.009","90","","1002.9","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,6-Dimethyl-1<i>H</i>-benzimidazol-3-ium nitrate","","- C9 H11 N3 O3 -","- C9 H11 N3 O3 -","- C36 H44 N12 O12 -","4","1","HG5349","Liu, Bao-Cheng; Zhu, Shou-Jin; Liu, Fa-Qian","5,6-Dimethyl-1<i>H</i>-benzimidazol-3-ium nitrate","Acta Crystallographica Section E","2013","69","11","o1645","","10.1107/S1600536813027578","","","0.71073","MoKα","","0.0538","0.0446","","","0.1278","0.1356","","","","","","1.05","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238738","6.6916","0.0012","8.369","0.0017","12.358","0.003","88.809","0.012","76.322","0.008","72.193","0.009","639.2","0.2","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","4-[2-(Pyridin-1-ium-4-yl)ethyl]pyridin-1-ium bis(2,6-dinitrobenzoate)","","- C26 H20 N6 O12 -","- C26 H20 N6 O12 -","- C26 H20 N6 O12 -","1","0.5","HG5351","Arman, Hadi D.; Miller, Tyler; Tiekink, Edward R. T.","4-[2-(Pyridin-1-ium-4-yl)ethyl]pyridin-1-ium bis(2,6-dinitrobenzoate)","Acta Crystallographica Section E","2013","69","11","o1606","","10.1107/S1600536813026810","","","0.71069","MoKα","","0.0583","0.0497","","","0.1171","0.1241","","","","","","1.068","","","","has coordinates","219800","2020-10-21","18:00:00",""
"2238739","11.58","0.003","24.999","0.007","8.995","0.003","90","","106.891","0.006","90","","2491.6","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6,6'-Diethoxy-2,2'-[4-methyl-1,2-phenylenebis(nitrilomethanylylidene)]diphenol acetonitrile monosolvate","","- C27 H29 N3 O4 -","- C27 H29 N3 O4 -","- C108 H116 N12 O16 -","4","1","HG5352","Li, Lei; Zeng, Suyuan","6,6'-Diethoxy-2,2'-[4-methyl-1,2-phenylenebis(nitrilomethanylylidene)]diphenol acetonitrile monosolvate","Acta Crystallographica Section E","2013","69","11","o1714","","10.1107/S1600536813028845","","","0.71073","MoKα","","0.2566","0.0609","","","0.1096","0.1708","","","","","","0.906","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238740","14.4553","0.0013","8.7501","0.0009","16.863","0.0016","90","","119.696","0.006","90","","1852.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-Chloro-8-methylquinolin-3-yl)-4-phenyl-1,2-dihydroquinazoline","","- C24 H18 Cl N3 -","- C24 H18 Cl N3 -","- C96 H72 Cl4 N12 -","4","1","HG5353","Derabli, Chamseddine; Boulcina, Raouf; Bouacida, Sofiane; Merazig, Hocine; Debache, Abdelmadjid","2-(2-Chloro-8-methylquinolin-3-yl)-4-phenyl-1,2-dihydroquinazoline","Acta Crystallographica Section E","2013","69","11","o1719","o1720","10.1107/S1600536813029334","","","0.71073","MoKα","","0.037","0.0312","","","0.0787","0.0823","","","","","","1.061","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238741","7.563","0.0005","6.5593","0.0004","13.2319","0.0009","90","","100.072","0.006","90","","646.29","0.07","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","","<i>N</i>-(1<i>H</i>-Indol-3-ylmethylidene)-4-methylpiperazin-1-amine","","- C14 H18 N4 -","- C14 H18 N4 -","- C28 H36 N8 -","2","1","HG5354","Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet","<i>N</i>-(1<i>H</i>-Indol-3-ylmethylidene)-4-methylpiperazin-1-amine","Acta Crystallographica Section E","2013","69","11","o1706","","10.1107/S1600536813028523","","","0.71073","MoKα","","0.0718","0.0582","","","0.1442","0.1628","","","","","","1.057","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238742","8.4883","0.0003","9.3677","0.0005","10.9029","0.0005","109.516","0.005","95.868","0.003","90.242","0.004","812.18","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-iodido-bis(iodido{methyl 4-[(pyridin-2-ylmethylidene)amino]benzoate-κ^2^<i>N</i>,<i>N</i>'}cadmium)","","- C28 H24 Cd2 I4 N4 O4 -","- C28 H24 Cd2 I4 N4 O4 -","- C28 H24 Cd2 I4 N4 O4 -","1","0.5","HG5357","Basu Baul, Tushar S.; Kundu, Sajal; Ng, Seik Weng; Tiekink, Edward R. T.","Di-μ-iodido-bis(iodido{methyl 4-[(pyridin-2-ylmethylidene)amino]benzoate-κ^2^<i>N</i>,<i>N</i>'}cadmium)","Acta Crystallographica Section E","2013","69","11","m623","m624","10.1107/S160053681302905X","","","0.71073","MoKα","","0.0266","0.0217","","","0.047","0.0495","","","","","","1.002","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238743","9.6624","0.0014","10.9179","0.0015","15.768","0.002","90","","100.565","0.002","90","","1635.2","0.4","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>catena</i>-Poly[2,2',2''-nitrilotris(ethanaminium) [tri-μ-oxido-tris[dioxidovanadate(V)]] monohydrate]","","- C6 H23 N4 O10 V3 -","- C6 H23 N4 O10 V3 -","- C24 H92 N16 O40 V12 -","4","1","HP2060","Chang, Kelvin B.; Smith, Matthew D.; Zeller, Matthias; Norquist, Alexander J.","<i>catena</i>-Poly[2,2',2''-nitrilotris(ethanaminium) [tri-μ-oxido-tris[dioxidovanadate(V)]] monohydrate]","Acta Crystallographica Section E","2013","69","11","m570","m571","10.1107/S1600536813026056","","","0.71073","MoKα","","0.0877","0.0523","","0.11","0.0997","0.0938","","","","","","1.0022","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238744","10.231","0.0006","11.8118","0.0006","14.3588","0.0009","91.191","0.007","107.481","0.005","106.074","0.006","1580.1","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","Poly[[μ-chlorido-μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol-κ^2^<i>N</i>^4^:<i>N</i>^4'^]-zinc] chloride dihydrate]","","- C26 H28 Cl2 F4 N12 O4 Zn -","- C26 H28 Cl2 F4 N12 O4 Zn -","- C52 H56 Cl4 F8 N24 O8 Zn2 -","2","1","HY2637","Pan, Gang-Hong; Tang, Jin-Niu; Xu, Shi-Hua; Huang, Zhong-Jing; Mo, Bo-Fa","Poly[[μ-chlorido-μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol-κ^2^<i>N</i>^4^:<i>N</i>^4'^]-zinc] chloride dihydrate]","Acta Crystallographica Section E","2013","69","11","m573","","10.1107/S1600536813026524","","","0.71073","MoKα","","0.1498","0.0804","","","0.2282","0.3064","","","","","","1.071","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238745","14.481","0.005","22.052","0.007","14.482","0.005","90","","92.937","0.002","90","","4619","3","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,1'-Bis(diphenylphosphanyl)cobaltocenium-κ^2^<i>P</i>,<i>P</i>'](η^5^-cyclopentadienyl){2-[4-(4-ethynylphenyl)phenyl]ethynyl-κ<i>C</i>}ruthenium(II) hexafluoridophosphate","","- C55 H42 Co F6 P3 Ru -","- C55 H42 Co F6 P3 Ru -","- C220 H168 Co4 F24 P12 Ru4 -","4","1","HY2638","Zeng, Ling-Zhen; Wu, Yun-Ying; Tian, Guang-Xuan; Li, Zhen","[1,1'-Bis(diphenylphosphanyl)cobaltocenium-κ^2^<i>P</i>,<i>P</i>'](η^5^-cyclopentadienyl){2-[4-(4-ethynylphenyl)phenyl]ethynyl-κ<i>C</i>}ruthenium(II) hexafluoridophosphate","Acta Crystallographica Section E","2013","69","11","m607","","10.1107/S1600536813028195","","","0.71073","MoKα","","0.0948","0.057","","","0.1305","0.1404","","","","","","0.968","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238746","16.1229","0.0005","10.0562","0.0003","9.7955","0.0002","90","","105.388","0.001","90","","1531.26","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(3-Chloro-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide","","- C14 H12 Cl N3 O3 S -","- C14 H12 Cl N3 O3 S -","- C56 H48 Cl4 N12 O12 S4 -","4","1","IM2442","Chicha, Hakima; Rakib, El Mostapha; Bouissane, Latifa; Saadi, Mohamed; El Ammari, Lahcen","<i>N</i>-(3-Chloro-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2013","69","11","o1632","","10.1107/S160053681302744X","","","0.71073","MoKα","","0.0474","0.0399","","","0.1092","0.1166","","","","","","1.034","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238747","8.9996","0.0004","7.1999","0.0003","21.3728","0.001","90","","91.794","0.003","90","","1384.2","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(1<i>H</i>-Indazol-5-yl)-4-methoxybenzenesulfonamide","","- C14 H13 N3 O3 S -","- C14 H13 N3 O3 S -","- C56 H52 N12 O12 S4 -","4","1","IM2443","Chicha, Hakima; Rakib, El Mostapha; Bouissane, Latifa; Saadi, Mohamed; El Ammari, Lahcen","<i>N</i>-(1<i>H</i>-Indazol-5-yl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2013","69","11","o1702","","10.1107/S1600536813028912","","","0.71073","MoKα","","0.0637","0.0421","","","0.1067","0.1185","","","","","","1.05","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238748","18.18","0.004","14.857","0.003","10.53","0.003","90","","94.646","0.003","90","","2834.8","1.2","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis[μ-3,5-bis(pyridin-2-yl)-1<i>H</i>-pyrazole]bis[dibromidoiron(III)]","","- C26 H18 Br4 Fe2 N8 -","- C26 H18 Br4 Fe2 N8 -","- C104 H72 Br16 Fe8 N32 -","4","0.5","IS5304","Katsuta, Nagisa; Mishima, Akio; Fuyuhiro, Akira; Hayami, Shinya; Kawata, Satoshi","Bis[μ-3,5-bis(pyridin-2-yl)-1<i>H</i>-pyrazole]bis[dibromidoiron(III)]","Acta Crystallographica Section E","2013","69","11","m574","","10.1107/S1600536813026573","","","0.71075","MoKα","","","0.0233","","","","0.0601","","","","","","1.05","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238749","13.223","0.0014","4.8903","0.0005","13.2638","0.0015","90","","106.897","0.001","90","","820.67","0.15","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>S</i>,<i>S</i>'-Butane-1,4-diyl bis(benzenecarbothioate)","","- C18 H18 O2 S2 -","- C18 H18 O2 S2 -","- C36 H36 O4 S4 -","2","0.5","IS5305","Abe, Daisuke; Sasanuma, Yuji","<i>S</i>,<i>S</i>'-Butane-1,4-diyl bis(benzenecarbothioate)","Acta Crystallographica Section E","2013","69","11","o1612","","10.1107/S1600536813026822","","","0.71073","MoKα","","0.0344","0.0296","","","0.0792","0.0828","","","","","","1.046","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238750","13.2676","0.0003","13.5572","0.0003","17.1246","0.0004","90","","90","","90","","3080.23","0.12","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-Nitrobenzeneaminium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","","- C13 H14 N2 O9 S -","- C13 H14 N2 O9 S -","- C104 H112 N16 O72 S8 -","8","1","IS5308","Sivakumar, P. K.; Kumar, M. Krishna; Chakkaravarthi, G.; Kumar, R. Mohan; Kanagadurai, R.","4-Nitroanilinium 3-carboxy-4-hydroxybenzenesulfonate monohydrate","Acta Crystallographica Section E","2013","69","11","o1609","","10.1107/S1600536813026779","","","0.71073","MoKα","","0.0456","0.0375","","","0.1019","0.1074","","","","","","1.032","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238751","9.273","0.005","10.983","0.005","20.096","0.005","90","","90.038","0.005","90","","2046.7","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,15-Dioxa-7,18,19,20,23-pentaazaheptacyclo[21.6.1.1^17,20^.0^1,8^.0^3,7^.0^9,14^.0^24,29^]hentriaconta-9,11,13,17(31),18,24,26,28-octaen-30-one","","- C24 H23 N5 O3 -","- C24 H23 N5 O3 -","- C96 H92 N20 O12 -","4","1","IS5309","Subhashree, Govindarajulu Rangabashyam; Purushothaman, Santhanagopalan; Raghunathan, Raghavachary; Velmurugan, Devadasan; Gayathri, Dasararaju","2,15-Dioxa-7,18,19,20,23-pentaazaheptacyclo[21.6.1.1^17,20^.0^1,8^.0^3,7^.0^9,14^.0^24,29^]hentriaconta-9,11,13,17(31),18,24,26,28-octaen-30-one","Acta Crystallographica Section E","2013","69","11","o1637","","10.1107/S1600536813027396","","","0.71073","MoKα","","0.067","0.0499","","","0.133","0.1455","","","","","","1.006","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238752","11.0205","0.0006","7.2535","0.0005","11.309","0.0007","90","","110.805","0.002","90","","845.06","0.09","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Butane-1,4-diyl bis(benzenecarbodithioate)","","- C18 H18 S4 -","- C18 H18 S4 -","- C36 H36 S8 -","2","0.5","IS5312","Abe, Daisuke; Sasanuma, Yuji","Butane-1,4-diyl bis(benzenecarbodithioate)","Acta Crystallographica Section E","2013","69","11","o1636","","10.1107/S1600536813027529","","","1.54178","CuKα","","0.0369","0.0366","","","0.0994","0.0997","","","","","","1.127","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238753","10.829","0.002","9.6","0.002","12.53","0.003","90","","100.34","0.02","90","","1281.4","0.5","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-Isopropyl-4-methoxy-5-methylphenyl acetate","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","IS5314","Oubabi, Radouane; Auhmani, Aziz; Ait Itto, My Youssef; Driss, Mohamed; Soumhi, El Hassane","2-Isopropyl-4-methoxy-5-methylphenyl acetate","Acta Crystallographica Section E","2013","69","11","o1715","","10.1107/S160053681302922X","","","0.71073","MoKα","","0.0976","0.0455","","","0.1082","0.132","","","","","","1.018","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238754","7.1327","0.0009","23.852","0.003","7.3437","0.001","90","","113.541","0.003","90","","1145.4","0.3","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-Acetyl-5-(4-fluorophenyl)-2-sulfanylideneimidazolidin-4-one","","- C11 H9 F N2 O2 S -","- C11 H9 F N2 O2 S -","- C44 H36 F4 N8 O8 S4 -","4","1","IS5315","Kitoh, Soh-ichi; Feng, Yijing; Fujinami, Shuhei; Ichitani, Masaki; Honda, Mitsunori; Kunimoto, Ko-Ki","1-Acetyl-5-(4-fluorophenyl)-2-sulfanylideneimidazolidin-4-one","Acta Crystallographica Section E","2013","69","11","o1699","","10.1107/S1600536813028560","","","0.7107","MoKα","","","0.0314","","","","0.0823","","","","","","1.06","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238755","12.747","0.0002","14.0577","0.0003","11.7639","0.0002","90","","99.752","0.001","90","","2077.55","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(4-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","","- C21 H23 N3 O7 -","- C21 H23 N3 O7 -","- C84 H92 N12 O28 -","4","1","IS5316","Sureshbabu, N.; Sughanya, V.","6-Hydroxy-5-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-enyl)(4-nitrophenyl)methyl]-1,3-dimethylpyrimidine-2,4(1<i>H</i>,3<i>H</i>)-dione","Acta Crystallographica Section E","2013","69","11","o1690","o1691","10.1107/S1600536813028584","","","0.71073","MoKα","","0.0497","0.0377","","","0.0995","0.1114","","","","","","1.028","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238756","7.261","0.0015","7.5835","0.0015","8.5751","0.0017","68.38","0.03","89.07","0.03","63.66","0.03","387.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>catena</i>-Poly[[diaquabis(μ~3~-5-carboxylato-1<i>H</i>-pyrazole-3-carboxylic acid-κ^3^<i>O</i>^3^:<i>O</i>^3^;<i>O</i>^5^)dilithium(I)] monohydrate]","","- C10 H12 Li2 N4 O11 -","- C10 H12 Li2 N4 O11 -","- C10 H12 Li2 N4 O11 -","1","0.5","KP2459","Starosta, Wojciech; Leciejewicz, Janusz","<i>catena</i>-Poly[[diaquabis(μ~3~-5-carboxylato-1<i>H</i>-pyrazole-3-carboxylic acid-κ^3^<i>O</i>^3^:<i>O</i>^3^;<i>O</i>^5^)dilithium(I)] monohydrate]","Acta Crystallographica Section E","2013","69","11","m593","m594","10.1107/S1600536813026408","","","0.71073","MoKα","","0.0667","0.048","","","0.1261","0.139","","","","","","1.041","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238757","4.9164","0.0002","14.649","0.0005","18.013","0.0006","90","","90","","90","","1297.3","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>)-2-(4-Amino-5-iodo-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-7-yl)-5-methyltetrahydrofuran-3,4-diol","","- C11 H13 I N4 O3 -","- C11 H13 I N4 O3 -","- C44 H52 I4 N16 O12 -","4","1","KQ2009","Flörke, Ulrich; Drewes, Birte","(2<i>R</i>,3<i>R</i>,4<i>S</i>,5<i>R</i>)-2-(4-Amino-5-iodo-7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-7-yl)-5-methyltetrahydrofuran-3,4-diol","Acta Crystallographica Section E","2013","69","11","o1646","o1647","10.1107/S1600536813027931","","","0.71073","MoKα","","0.0204","0.02","","","0.0508","0.051","","","","","","1.064","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238758","12.1431","0.0011","12.6551","0.0012","5.3907","0.0005","90","","90","","90","","828.4","0.13","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","6-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-1,2,4,5-tetrazin-3(2<i>H</i>)-one","","- C7 H8 N6 O -","- C7 H8 N6 O -","- C28 H32 N24 O4 -","4","1","KQ2010","Suponitsky, Kyrill Yu.; Chernyshev, Victor M.; Mazharova, Anna G.; Palysaeva, Nadezhda V.; Sheremetev, Aleksei B.","6-(3,5-Dimethyl-1<i>H</i>-pyrazol-1-yl)-1,2,4,5-tetrazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2013","69","11","o1630","o1631","10.1107/S1600536813027360","","","0.71073","MoKα","","0.0436","0.0371","","","0.0896","0.0938","","","","","","1.053","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238759","13.769","0.003","10.832","0.002","16.91","0.003","90","","106.512","0.003","90","","2418","0.8","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>,<i>N</i>'-Tris[(1<i>H</i>-indol-3-yl)methyl]ethane-1,2-diamine","","- C29 H29 N5 -","- C29 H29 N5 -","- C116 H116 N20 -","4","1","LH5652","Li, Yan-Jun; Wang, De-Ju","<i>N</i>,<i>N</i>,<i>N</i>'-Tris[(1<i>H</i>-indol-3-yl)methyl]ethane-1,2-diamine","Acta Crystallographica Section E","2013","69","11","o1678","","10.1107/S1600536813028225","","","0.71073","MoKα","","0.081","0.0436","","","0.0983","0.1137","","","","","","0.988","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238760","5.0375","0.0003","11.4515","0.0013","20.802","0.002","90","","90","","90","","1200","0.19","200","1","200","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","LL-P880 beta","(6<i>S</i>*)-6-[(1<i>S</i>*,2<i>R</i>*)-1,2-Dihydroxypentyl]-4-methoxy-5,6-dihydro-2<i>H</i>-pyran-2-one","","- C11 H18 O5 -","- C11 H18 O5 -","- C44 H72 O20 -","4","1","LH5653","Valenti, Domenic J.; Arif, Atta M.; Strobel, Gary A.; Harper, James K.","(6<i>S</i>*)-6-[(1<i>S</i>*,2<i>R</i>*)-1,2-Dihydroxypentyl]-4-methoxy-5,6-dihydro-2<i>H</i>-pyran-2-one","Acta Crystallographica Section E","2013","69","11","o1657","o1658","10.1107/S1600536813027025","","","0.71073","MoKα","","0.082","0.0515","","","0.1072","0.1205","","","","","","1.056","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238761","13.971","0.002","12.15","0.003","9.169","0.002","90","","93.8","0.04","90","","1553","0.6","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H36 Mn N2 O20 P4 -","- C16 H36 Mn N2 O20 P4 -","- C32 H72 Mn2 N4 O40 P8 -","2","0.5","LH5654","Elboulali, Adel; Akriche, Samah; Rzaigui, Mohamed","Bis(2-methoxybenzylammonium) diaquabis(dihydrogen diphosphato-κ^2^<i>O</i>,<i>O</i>')manganate(II) dihydrate","Acta Crystallographica Section E","2013","69","11","m572","","10.1107/S1600536813026366","","","0.56087","AgKα","","0.1092","0.0468","","","0.0941","0.1116","","","","","","0.976","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238762","7.0412","0.0003","10.1058","0.0004","6.5773","0.0002","90","","95.509","0.003","90","","465.86","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,5-Dimethoxynaphthalene","","- C12 H12 O2 -","- C12 H12 O2 -","- C24 H24 O4 -","2","0.5","LH5655","Marfo-Owusu, Emmanuel; Thompson, Amber L.","1,5-Dimethoxynaphthalene","Acta Crystallographica Section E","2013","69","11","o1655","o1656","10.1107/S1600536813026731","","","1.5418","CuKα","","0.0361","0.0335","","0.0929","0.0908","0.0929","","","","","","1.0007","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238763","8.7718","0.0003","7.9892","0.0003","11.2921","0.0006","90","","96.581","0.004","90","","786.13","0.06","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Dimethylphosphoryl)methanaminium nitrate","","- C3 H11 N2 O4 P -","- C3 H11 N2 O4 P -","- C12 H44 N8 O16 P4 -","4","1","LH5656","Bianga, Claudia M.; Eggeling, Julia; Reiss, Guido J.","(Dimethylphosphoryl)methanaminium nitrate","Acta Crystallographica Section E","2013","69","11","o1639","o1640","10.1107/S1600536813027694","","","0.71073","MoKα","","0.036","0.0303","","","0.0621","0.0651","","","","","","1.006","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238764","17.1086","0.0006","15.0188","0.0004","19.9578","0.0007","90","","90","","90","","5128.2","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tris[4-bromo-2-(methyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(III)","","- C24 H21 Br3 Co N3 O3 -","- C24 H21 Br3 Co N3 O3 -","- C192 H168 Br24 Co8 N24 O24 -","8","1","LH5657","Huang, Qiu-Ping; Zhang, Chun-Lian; Zhao, Ru-Xia; Yang, Li; Jiang, Xi-Fu","Tris[4-bromo-2-(methyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(III)","Acta Crystallographica Section E","2013","69","11","m601","","10.1107/S1600536813027591","","","0.71073","MoKα","","0.074","0.0406","","","0.0769","0.0894","","","","","","1.01","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238765","9.2563","0.001","10.6283","0.0011","17.623","0.0019","90","","116.775","0.007","90","","1547.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Chlorophenyl)-4-phenyl-1,2-dihydroquinazoline","","- C20 H15 Cl N2 -","- C20 H15 Cl N2 -","- C80 H60 Cl4 N8 -","4","1","LH5660","Derabli, Chamseddine; Boulcina, Raouf; Bouacida, Sofiane; Merazig, Hocine; Debache, Abdelmadjid","2-(4-Chlorophenyl)-4-phenyl-1,2-dihydroquinazoline","Acta Crystallographica Section E","2013","69","11","o1653","o1654","10.1107/S1600536813027839","","","0.71073","MoKα","","0.035","0.0307","","","0.0775","0.0807","","","","","","1.045","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238766","9.1584","0.0017","14.075","0.003","13.856","0.003","90","","90.106","0.003","90","","1786.1","0.6","188","1","188","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>catena</i>-Poly[bis[dimethyl(pyridine-κ<i>N</i>)indium(III)]-μ~4~-benzene-1,3-diolato-bis[dimethylindium(III)]-μ~4~-benzene-1,3-diolato]","","- C15 H21 In2 N O2 -","- C15 H21 In2 N O2 -","- C60 H84 In8 N4 O8 -","4","1","LH5663","Briand, Glen G.; Decken, Andreas; Hoey, Marshall R.","<i>catena</i>-Poly[bis[dimethyl(pyridine-κ<i>N</i>)indium(III)]-μ~4~-benzene-1,3-diolato-bis[dimethylindium(III)]-μ~4~-benzene-1,3-diolato]","Acta Crystallographica Section E","2013","69","11","m622","","10.1107/S1600536813028985","","","0.71073","MoKα","","0.0641","0.0347","","","0.0733","0.0867","","","","","","1.156","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238767","5.5151","0.0016","9.045","0.003","12.387","0.004","101","0.005","94.027","0.005","94.78","0.005","602.1","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","1-(4-Chlorophenyl)-3-(3-chloropropionyl)thiourea","","- C10 H10 Cl2 N2 O S -","- C10 H10 Cl2 N2 O S -","- C20 H20 Cl4 N4 O2 S2 -","2","1","LR2115","Yamin, Bohari M.; Soh, Siti K. C.; Yusoff, Siti Fairus M.","1-(4-Chlorophenyl)-3-(3-chloropropionyl)thiourea","Acta Crystallographica Section E","2013","69","11","o1696","","10.1107/S1600536813028511","","","0.71073","MoKα","","0.0716","0.0533","","","0.1113","0.1156","","","","","","1.218","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238768","9.9954","0.0018","10.695","0.002","16.397","0.003","79.764","0.003","83.659","0.003","73.048","0.003","1646.8","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one","","- C19 H19 N O S -","- C19 H19 N O S -","- C76 H76 N4 O4 S4 -","4","2","LX2289","Yennawar, Hemant P.; Silverberg, Lee J.","6,7-Diphenyl-5-thia-7-azaspiro[2.6]nonan-8-one","Acta Crystallographica Section E","2013","69","11","o1659","","10.1107/S1600536813027979","","","0.71073","MOKα","","0.0566","0.0466","","","0.1246","0.1343","","","","","","1.019","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238769","13.6792","0.0003","13.6792","0.0003","24.9625","0.0013","90","","90","","90","","4671","0.3","295","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","(1<i>S</i>,1'<i>S</i>,2'<i>R</i>,4a'<i>S</i>,9a'<i>S</i>,9b'<i>R</i>)-1'-Acetyloxy-2,4'-dioxo-2',4',4a',7',8',9',9a',9b'-octahydro-1'<i>H</i>,2<i>H</i>-spiro[acenaphthylene-1,5'-pyrano[4,3-<i>a</i>]pyrrolizin]-2'-ylmethyl acetate","","- C26 H25 N O7 -","- C26 H25 N O7 -","- C208 H200 N8 O56 -","8","1","NC2316","Santhiya, S.; Naga Siva Rao, J.; Raghunathan, R.; Latha, N.; Lakshmi, S.","(1<i>S</i>,1'<i>S</i>,2'<i>R</i>,4a'<i>S</i>,9a'<i>S</i>,9b'<i>R</i>)-1'-Acetyloxy-2,4'-dioxo-2',4',4a',7',8',9',9a',9b'-octahydro-1'<i>H</i>,2<i>H</i>-spiro[acenaphthylene-1,5'-pyrano[4,3-<i>a</i>]pyrrolizin]-2'-ylmethyl acetate","Acta Crystallographica Section E","2013","69","11","o1601","","10.1107/S1600536813026111","","","0.71073","MoKα","","0.0678","0.0423","","","0.0918","0.1041","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"2238770","11.1585","0.0017","6.55","0.001","5.233","0.0008","90","","90","","90","","382.47","0.1","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Sodium cadmium orthoarsenate","","- As Cd Na O4 -","- As Cd Na O4 -","- As4 Cd4 Na4 O16 -","4","0.5","PJ2006","Weil, Matthias","Olivine-type NaCd(AsO~4~)","Acta Crystallographica Section E","2013","69","11","i75","","10.1107/S1600536813027256","","","0.71073","MoKα","","0.0189","0.0166","","","0.0413","0.0425","","","","","","1.097","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238771","7.9073","0.0002","9.2891","0.0002","10.8865","0.0002","84.474","0.001","79.798","0.001","72.437","0.001","749.52","0.03","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","(7-Chloro-2-oxo-2<i>H</i>-chromen-4-yl)methyl pyrrolidine-1-carbodithioate","","- C15 H14 Cl N O2 S2 -","- C15 H14 Cl N O2 S2 -","- C30 H28 Cl2 N2 O4 S4 -","2","1","PK2494","Kotresh, O.; Devarajegowda, H. C.; Shirahatti, Arunkumar; Kumar, K. Mahesh; Mahabhaleshwaraiah, N. M.","(7-Chloro-2-oxo-2<i>H</i>-chromen-4-yl)methyl pyrrolidine-1-carbodithioate","Acta Crystallographica Section E","2013","69","11","o1684","o1685","10.1107/S1600536813028080","","","0.71073","MoKα","","0.0337","0.0309","","","0.0972","0.1024","","","","","","1.182","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238772","7.7865","0.0009","7.7865","0.0009","7.466","0.002","90","","90","","90","","452.66","0.14","295","","295","","","","","","","","","4","I -4 2 d","I -4 2bw","122","rubidium dihydrogen arsenate(V)","Rubidium dihydrogenarsenate","","- As H2 O4 Rb -","- As H2 O4 Rb -","- As4 H8 O16 Rb4 -","4","0.25","PK2499","Stöger, Berthold","RbH~2~AsO~4~","Acta Crystallographica Section E","2013","69","11","i73","i74","10.1107/S1600536813026676","","","0.71073","MoKα","","0.0459","0.0254","","","0.0288","0.0317","","","","","","1.25","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238773","7.5163","0.0004","9.6774","0.0005","15.9053","0.0008","86.798","0.001","83.512","0.001","69.385","0.001","1075.75","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(1,3-Diphenylpropan-2-yl)-4-methyl-6-phenylisoxazolo[3,4-<i>d</i>]pyridazin-7(6<i>H</i>)-one","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C54 H46 N6 O4 -","2","1","QK2060","Campana, Charles F.; Mirzaei, Joseph; Koerner, Chris; Gates, Christina; Natale, Nicholas R.","3-(1,3-Diphenylpropan-2-yl)-4-methyl-6-phenylisoxazolo[3,4-<i>d</i>]pyridazin-7(6<i>H</i>)-one","Acta Crystallographica Section E","2013","69","11","o1680","o1681","10.1107/S160053681302802X","","","1.54178","CuKα","","0.0323","0.0315","","","0.0774","0.0781","","","","","","1.028","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238774","11.9315","0.0008","12.8805","0.001","15.3949","0.0013","90","","99.271","0.004","90","","2335","0.3","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Bis(μ-<i>L</i>-arginine-κ^3^<i>N</i>^2^,<i>O</i>:<i>O</i>')bis(<i>L</i>-arginine-κ^2^<i>N</i>^2^,<i>O</i>)tetra-μ-chlorido-tetrachloridotetracopper(II)","","- C6 H14 Cl2 Cu N4 O2 -","- C6 H14 Cl2 Cu N4 O2 -","- C48 H112 Cl16 Cu8 N32 O16 -","8","4","RK2413","Arularasan, P.; B.Sivakumar; Chakkaravarthi, G.; Mohan, R.","Bis(μ-<small>L</small>-arginine-κ^3^<i>N</i>^2^,<i>O</i>:<i>O</i>')bis(<small>L</small>-arginine-κ^2^<i>N</i>^2^,<i>O</i>)tetra-μ-chlorido-tetrachloridotetracopper(II)","Acta Crystallographica Section E","2013","69","11","m583","m584","10.1107/S1600536813026780","","","0.71073","MoKα","","0.0703","0.047","","","0.1013","0.1119","","","","","","0.978","","","","has coordinates","188723","2020-10-21","18:00:00",""
"2238775","11.041","0.005","5.76","0.004","30.069","0.013","90","","90","","90","","1912.3","1.8","298","2","298","1","","","","","","","","4","P n a 21","P 2c -2n","33","","<i>N</i>,<i>N</i>'-Bis(2-aminobenzyl)ethane-1,2-diaminium dinitrate","","- C16 H24 N6 O6 -","- C16 H24 N6 O6 -","- C64 H96 N24 O24 -","4","1","RK2415","Garza Rodríguez, Luis Ángel; Elizondo Martínez, Perla; Bernès, Sylvain; Nájera Martínez, Blanca; Pérez Rodríguez, Nancy","<i>N</i>,<i>N</i>'-Bis(2-aminobenzyl)ethane-1,2-diaminium dinitrate","Acta Crystallographica Section E","2013","69","11","o1643","o1644","10.1107/S1600536813027475","","","0.71073","MoKα","","0.1042","0.0612","","","0.1443","0.1799","","","","","","1.612","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238776","7.0624","0.0005","7.7132","0.0005","10.346","0.0007","93.353","0.001","90.107","0.001","98.832","0.001","555.92","0.07","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","6-(4-Chlorophenyl)-3-methylimidazo[2,1-<i>b</i>]thiazole","","- C12 H9 Cl N2 S -","- C12 H9 Cl N2 S -","- C24 H18 Cl2 N4 S2 -","2","1","RK2417","Bunev, Alexander S.; Sukhonosova, Elena V.; Statsyuk, Vladimir E.; Ostapenko, Gennady I.; Khrustalev, Victor N.","6-(4-Chlorophenyl)-3-methylimidazo[2,1-<i>b</i>]thiazole","Acta Crystallographica Section E","2013","69","11","o1701","","10.1107/S1600536813028833","","","0.71073","MoKα","","0.0532","0.0376","","","0.0887","0.093","","","","","","1.049","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238777","20.3346","0.0007","4.7167","0.0001","15.5674","0.0006","90","","109.255","0.002","90","","1409.58","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-2-[2-(3-Nitrophenyl)ethenyl]quinolin-8-ol","","- C17 H12 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","RN2119","Schulze, Mathias; Seichter, Wilhelm; Weber, Edwin","(<i>E</i>)-2-[2-(3-Nitrophenyl)ethenyl]quinolin-8-ol","Acta Crystallographica Section E","2013","69","11","o1651","o1652","10.1107/S1600536813027815","","","0.71073","MoKα","","0.0946","0.0654","","","0.1822","0.2255","","","","","","1.034","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238778","7.1892","0.0009","7.5438","0.0009","13.2195","0.0015","99.338","0.003","103.334","0.003","100.4","0.003","670.41","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Bis[(5-bromopyridin-2-yl)methanolato-κ^2^<i>N</i>,<i>O</i>]copper(II) monohydrate","","- C12 H12 Br2 Cu N2 O3 -","- C12 H12 Br2 Cu N2 O3 -","- C24 H24 Br4 Cu2 N4 O6 -","2","1","RU2055","Hamaguchi, Tomohiko; Kawahara, Issei; Ando, Isao","Bis[(5-bromopyridin-2-yl)methanolato-κ^2^<i>N</i>,<i>O</i>]copper(II) monohydrate","Acta Crystallographica Section E","2013","69","11","m585","","10.1107/S1600536813026974","","","0.71075","MoKα","","0.0522","0.0284","","","0.0552","0.0769","","","","","","1.196","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238779","23.4234","0.0014","5.0054","0.0003","15.9408","0.001","90","","97.21","0.006","90","","1854.2","0.2","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","8-Methoxy-3-methyl-3,4-dihydro-2<i>H</i>-1,3-benzoxazine","8-Methoxy-3-methyl-3,4-dihydro-2<i>H</i>-1,3-benzoxazine","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C80 H104 N8 O16 -","8","2","RZ5083","Zhu, Jing; Yang, Xiang-Xiang; Xu, Long-Yu; Ren, Zhi-Dong; Qu, Ling-Bo","8-Methoxy-3-methyl-3,4-dihydro-2<i>H</i>-1,3-benzoxazine","Acta Crystallographica Section E","2013","69","11","o1619","","10.1107/S1600536813026706","","","1.5418","CuKα","","0.0604","0.0406","","","0.1027","0.1144","","","","","","1.019","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238780","7.2703","0.0011","7.3226","0.0007","11.7615","0.0011","88.232","0.008","79.343","0.01","61.35","0.013","538.8","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-[(4-Methylphenyl)sulfanyl]butan-2-one","","- C11 H14 O S -","- C11 H14 O S -","- C22 H28 O2 S2 -","2","1","RZ5084","Novaković, Sladjana B.; Leka, Zorica; Stevanović, Dragana; Muškinja, Jovana; Bogdanović, Goran A.","4-[(4-Methylphenyl)sulfanyl]butan-2-one","Acta Crystallographica Section E","2013","69","11","o1625","","10.1107/S1600536813026895","","","1.5418","CuKα","","0.0635","0.0553","","","0.1555","0.1702","","","","","","1.071","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238781","9.2709","0.0019","11.812","0.002","15.982","0.003","90","","90","","90","","1750.2","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Amino-6-chloro-<i>N</i>-methylbenzamide","","- C8 H9 Cl N2 O -","- C8 H9 Cl N2 O -","- C64 H72 Cl8 N16 O8 -","8","1","RZ5085","Liang, Yan-Hui; Mei, Xiang-Dong; Li, Yao-Fa; Pan, Wen-Liang; Ning, Jun","2-Amino-6-chloro-<i>N</i>-methylbenzamide","Acta Crystallographica Section E","2013","69","11","o1642","","10.1107/S1600536813027827","","","0.71073","MoKα","","0.0741","0.0646","","","0.1331","0.1386","","","","","","1.174","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238782","9.4737","0.0003","5.1709","0.0002","23.6159","0.0008","90","","96.823","0.001","90","","1148.69","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Benzylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","","- C12 H10 N4 S -","- C12 H10 N4 S -","- C48 H40 N16 S4 -","4","1","RZ5086","El Fal, Mohammed; Ramli, Youssef; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen","4-Benzylsulfanyl-1<i>H</i>-pyrazolo[3,4-<i>d</i>]pyrimidine","Acta Crystallographica Section E","2013","69","11","o1650","","10.1107/S160053681302789X","","","0.71073","MoKα","","0.0509","0.0405","","","0.1044","0.1124","","","","","","1.031","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238783","7.613","0.0007","14.2716","0.0014","16.2594","0.0013","90","","114.556","0.004","90","","1606.8","0.3","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","Bis(μ-hydroxido-κ^2^<i>O</i>:<i>O</i>)bis[bis(5-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)iron(III)] dihydrate","","- C28 H22 Fe2 N4 O20 -","- C28 H22 Fe2 N4 O20 -","- C56 H44 Fe4 N8 O40 -","2","0.5","RZ5089","Cao, Wenhai","Bis(μ-hydroxido-κ^2^<i>O</i>:<i>O</i>)bis[bis(5-carboxypyridine-2-carboxylato-κ^2^<i>N</i>,<i>O</i>^2^)iron(III)] dihydrate","Acta Crystallographica Section E","2013","69","11","m625","","10.1107/S1600536813029449","","","0.71073","MoKα","","0.045","0.0345","","","0.0902","0.0962","","","","","","1.006","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238784","7.362","0.0003","11.1227","0.0005","21.1248","0.001","90","","95.328","0.001","90","","1722.34","0.13","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis[μ-<i>N</i>-(pyridin-2-ylmethyl)pyridin-3-amine-κ^2^<i>N</i>:<i>N</i>']disilver(I) bis(perchlorate) dimethyl sulfoxide disolvate","","- C26 H34 Ag2 Cl2 N6 O10 S2 -","- C26 H34 Ag2 Cl2 N6 O10 S2 -","- C52 H68 Ag4 Cl4 N12 O20 S4 -","2","0.5","SJ5353","Moon, Suk-Hee; Park, Ki-Min","Bis[μ-<i>N</i>-(pyridin-2-ylmethyl)pyridin-3-amine-κ^2^<i>N</i>:<i>N</i>']disilver(I) bis(perchlorate) dimethyl sulfoxide disolvate","Acta Crystallographica Section E","2013","69","11","m575","m576","10.1107/S1600536813026585","","","0.71073","MoKα","","0.0358","0.0325","","","0.0833","0.0855","","","","","","1.022","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238785","9.7426","0.0007","9.8821","0.0007","11.8356","0.0008","80.107","0.001","73.14","0.001","83.297","0.001","1071.6","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","1-Methyl-4-[(<i>E</i>)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyridinium 4-bromobenzenesulfonate monohydrate","","- C21 H22 Br N O6 S -","- C21 H22 Br N O6 S -","- C42 H44 Br2 N2 O12 S2 -","2","1","SJ5354","Chantrapromma, Suchada; Ruanwas, Pumsak; Jindawong, Boonwasana; Fun, Hoong-Kun","1-Methyl-4-[(<i>E</i>)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyridinium 4-bromobenzenesulfonate monohydrate","Acta Crystallographica Section E","2013","69","11","o1623","o1624","10.1107/S1600536813027244","","","0.71073","MoKα","","0.0462","0.0432","","","0.1223","0.1254","","","","","","1.048","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238786","8.4889","0.0012","8.3552","0.0016","17.143","0.003","90","","91.294","0.011","90","","1215.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (2<i>E</i>)-2-cyano-3-(4-methoxyphenyl)acrylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","SJ5355","Suchetan, P. A.; Palakshamurthy, B. S.; Mohan, N. R.; Madan Kumar, S.; Lokanath, N. K.; Sreenivasa, S.","Ethyl (2<i>E</i>)-2-cyano-3-(4-methoxyphenyl)acrylate","Acta Crystallographica Section E","2013","69","11","o1610","","10.1107/S1600536813026871","","","1.54178","CuKα","","0.0864","0.0667","","","0.1792","0.2008","","","","","","1.02","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238787","7.402","0.004","8.9","0.005","10.606","0.006","78.186","0.009","84.118","0.008","70.04","0.007","642.4","0.6","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","Aqua(azido)[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboxamido-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']copper(II)","","- C12 H10 Cu N6 O3 -","- C12 H10 Cu N6 O3 -","- C24 H20 Cu2 N12 O6 -","2","1","SJ5358","Bruda, Sandra; Turnbull, Mark M.; Wikaira, Jan L.","Aqua(azido)[<i>N</i>-(pyridin-2-ylcarbonyl)pyridine-2-carboxamido-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']copper(II)","Acta Crystallographica Section E","2013","69","11","m598","m599","10.1107/S1600536813027499","","","0.71073","MoKα","","0.0884","0.0634","","","0.0994","0.1053","","","","","","1.168","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238788","8.0508","0.0003","12.9487","0.0004","14.1915","0.0005","83.897","0.002","89.368","0.002","89.704","0.002","1470.94","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","<i>N</i>-[(2-Chlorophenyl)sulfonyl]-2-methoxybenzamide","","- C14 H12 Cl N O4 S -","- C14 H12 Cl N O4 S -","- C56 H48 Cl4 N4 O16 S4 -","4","2","SJ5359","Sreenivasa, S.; Palakshamurthy, B. S.; Suresha, E.; Tonannavar, J.; Jayashree, Yenagi; Suchetan, P. A.","<i>N</i>-[(2-Chlorophenyl)sulfonyl]-2-methoxybenzamide","Acta Crystallographica Section E","2013","69","11","o1716","","10.1107/S1600536813029012","","","0.71073","MoKα","","0.0806","0.0517","","","0.1435","0.1628","","","","","","0.903","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238789","7.2687","0.0013","7.8758","0.0014","14.177","0.003","104.071","0.01","99.672","0.01","97.21","0.01","764.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Methoxy-<i>N</i>-(pyridin-4-ylmethyl)-3-(trifluoromethyl)benzamide monohydrate","","- C15 H15 F3 N2 O3 -","- C15 H15 F3 N2 O3 -","- C30 H30 F6 N4 O6 -","2","1","SJ5360","Sreenivasa, S.; Mohan, N. R.; Kumar, Vijith; Palakshamurthy, B. S.; Arunakumar, D. B.; Suchetan, P. A.","4-Methoxy-<i>N</i>-(pyridin-4-ylmethyl)-3-(trifluoromethyl)benzamide monohydrate","Acta Crystallographica Section E","2013","69","11","o1717","o1718","10.1107/S1600536813029103","","","0.71073","MoKα","","0.0588","0.0476","","","0.1259","0.1352","","","","","","1.064","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238790","7.8312","0.0005","13.9334","0.0009","9.6313","0.0006","90","","112.269","0.002","90","","972.54","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","Tetra-n-butylammonium cyanotrihydroborate","<i>N</i>,<i>N</i>,<i>N</i>-Tributylbutan-1-aminium (<i>T</i>-4)-(cyano-κ<i>C</i>)trihydroborate","","- C17 H39 B N2 -","- C17 H39 B N2 -","- C34 H78 B2 N4 -","2","1","SJ5361","Maris, Thierry","<i>N</i>,<i>N</i>,<i>N</i>-Tributylbutan-1-aminium (<i>T</i>-4)-(cyano-κ<i>C</i>)trihydroborate","Acta Crystallographica Section E","2013","69","11","o1713","","10.1107/S1600536813028924","","","1.54178","CuKα","","0.0347","0.0346","","","0.0916","0.0919","","","","","","1.027","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238791","14.5999","0.0004","16.5714","0.0004","18.0165","0.0004","83.693","0.002","84.586","0.002","87.992","0.002","4311.88","0.19","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","Ethylenediammonium sodium tetrakis[bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobalt(III)] [pentahydrogen di(phosphatooctadecatungsten)] tetradecahydrate","","- C26 H102 Co4 N18 Na O154 P4 W36 -","- C26 H102 Co4 N18 Na O154 P4 W36 -","- C26 H102 Co4 N18 Na O154 P4 W36 -","1","0.5","SU2626","Zhang, Shuzhuo; Wang, Jing; Xu, Yun","Ethylenediammonium sodium tetrakis[bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobalt(III)] [pentahydrogen di(phosphatooctadecatungstate)] tetradecahydrate","Acta Crystallographica Section E","2013","69","11","m605","m606","10.1107/S160053681302583X","","","0.71073","MoKα","","0.0689","0.0403","","","0.0669","0.0747","","","","","","0.955","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238792","8.5619","0.0001","11.8846","0.0002","17.7457","0.0003","90","","90","","90","","1805.71","0.05","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(<i>E</i>)-13-(4-Aminophenyl)parthenolide","(3a<i>S</i>,9a<i>R</i>,10a<i>R</i>,10b<i>S</i>,<i>E</i>)-3-[(<i>E</i>)-4-(4-Aminobenzylidene)-6,9a-dimethyl-3a,4,5,8,9,9a,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan-2(3<i>H</i>)-one","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C84 H100 N4 O12 -","4","1","SU2647","Penthala, Narsimha Reddy; Janganati, Venumadhav; Parkin, Sean; Varughese, Kottayil I.; Crooks, Peter A.","(<i>E</i>)-13-(4-Aminophenyl)parthenolide","Acta Crystallographica Section E","2013","69","11","o1709","o1710","10.1107/S1600536813028730","","","1.54178","CuKα","","0.0268","0.0265","","","0.0699","0.0704","","","","","","1.062","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238793","27.1686","0.0016","27.1686","0.0016","10.8594","0.0006","90","","90","","120","","6941.8","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","4-Methoxy-<i>N</i>-[(4-methylphenyl)sulfonyl]benzamide","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C270 H270 N18 O72 S18 -","18","1","SU2649","Sreenivasa, Swamy; Palakshamurthy, Bandrehalli Siddagangaiah; Tonannavar, Jagdish; Jayashree, Yenagi; Sudha, Achar Gurumurthy; Suchetan, Parameshwar Adimoole","4-Methoxy-<i>N</i>-[(4-methylphenyl)sulfonyl]benzamide including an unknown solvate","Acta Crystallographica Section E","2013","69","11","o1664","o1665","10.1107/S1600536813028158","","","0.71073","MoKα","","0.0527","0.0393","","","0.1032","0.1089","","","","","","1.062","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238794","7.9424","0.0009","14.5238","0.0016","14.6561","0.0016","75.087","0.002","89.99","0.002","86.012","0.002","1629.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","2-(2,4-Difluorophenyl)-4,5-dimethyl-1-(4-methylphenyl)-1<i>H</i>-imidazole monohydrate","","- C18 H18 F2 N2 O -","- C18 H18 F2 N2 O -","- C72 H72 F8 N8 O4 -","4","2","SU2650","Srinivasan, Natesan; Rizwana Begum, Syed Rafee Ahamed; Hema, Ramu; Sridhar, Balasubramanian; Anitha, Azhagan Ganapathi","2-(2,4-Difluorophenyl)-4,5-dimethyl-1-(4-methylphenyl)-1<i>H</i>-imidazole monohydrate","Acta Crystallographica Section E","2013","69","11","o1599","o1600","10.1107/S1600536813026354","","","0.71073","MoKα","","0.0617","0.048","","","0.1276","0.1401","","","","","","1.001","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238795","26.488","0.003","9.7886","0.0011","12.2163","0.0013","90","","90","","90","","3167.4","0.6","98","2","98","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒1,4-diazabicyclo[2.2.2]octane (2/1)","","- C30 H40 N10 O4 S2 -","- C30 H40 N10 O4 S2 -","- C120 H160 N40 O16 S8 -","4","0.5","SU2652","Arman, Hadi D.; Kaulgud, Trupta; Tiekink, Edward R. T.","4-Amino-<i>N</i>-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide‒1,4-diazabicyclo[2.2.2]octane (2/1)","Acta Crystallographica Section E","2013","69","11","o1615","","10.1107/S1600536813027037","","","0.71073","MoKα","","0.049","0.044","","","0.11","0.1147","","","","","","0.985","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238796","7.823","0.0016","8.174","0.0016","18.994","0.004","90","","97.18","0.03","90","","1205.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Propyl 2-(1<i>H</i>-indol-3-yl)acetate","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","SU2653","Tang, Guo-Min; Xu, Wei","Propyl 2-(1<i>H</i>-indol-3-yl)acetate","Acta Crystallographica Section E","2013","69","11","o1686","","10.1107/S1600536813027633","","","0.71073","MoKα","","0.0973","0.0628","","","0.1544","0.1826","","","","","","1.001","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238797","18.001","0.004","7.6371","0.0017","9.372","0.002","90","","105.025","0.003","90","","1244.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(2-Chloroacetyl)glycine","","- C4 H6 Cl N O3 -","- C4 H6 Cl N O3 -","- C32 H48 Cl8 N8 O24 -","8","2","SU2655","Zhang, Yu-Cheng; Zhang, Xiu-Qin; Wang, Kai; Chen, Qiang","<i>N</i>-(2-Chloroacetyl)glycine","Acta Crystallographica Section E","2013","69","11","o1712","","10.1107/S1600536813028997","","","0.71073","MoKα","","0.043","0.0384","","","0.1002","0.1025","","","","","","1.066","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238798","6.13183","0.00019","12.0106","0.0004","14.8704","0.0005","90","","94.025","0.003","90","","1092.46","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone","1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C48 H64 N8 O8 -","4","1","SU2656","Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet","1-[4-(4-Hydroxyphenyl)piperazin-1-yl]ethanone","Acta Crystallographica Section E","2013","69","11","o1671","","10.1107/S1600536813028031","","","1.54184","CuKα","","0.0438","0.0405","","","0.1098","0.113","","","","","","1.071","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238799","5.9045","0.0003","15.6099","0.0007","20.0424","0.0009","90","","90","","90","","1847.28","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Pyrrolidinium-2-carboxylate‒4-nitrophenol (1/2)","","- C17 H19 N3 O8 -","- C17 H19 N3 O8 -","- C68 H76 N12 O32 -","4","1","SU2657","Sowmya, Narayanan Swarna; Vidyalakshmi, Yechuri; Sampathkrishnan, Sadasivam; Srinivasan, Thothadri; Velmurugan, Devadasan","Pyrrolidinium-2-carboxylate‒4-nitrophenol (1/2)","Acta Crystallographica Section E","2013","69","11","o1723","","10.1107/S1600536813028742","","","0.71073","MoKα","","0.0491","0.0365","","","0.087","0.0936","","","","","","1.064","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238800","11.0675","0.0005","8.0429","0.0003","15.6614","0.0007","90","","96.654","0.005","90","","1384.71","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Methyl 2-[4-(trifluoromethyl)phenylsulfanyl]benzoate","Methyl 2-[4-(trifluoromethyl)phenylsulfanyl]benzoate","","- C15 H11 F3 O2 S -","- C15 H11 F3 O2 S -","- C60 H44 F12 O8 S4 -","4","1","SU2658","Yamuna, Thammarse S.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet","Methyl 2-[4-(trifluoromethyl)phenylsulfanyl]benzoate","Acta Crystallographica Section E","2013","69","11","o1670","","10.1107/S1600536813028146","","","1.54184","CuKα","","0.0538","0.0433","","","0.1135","0.1229","","","","","","1.03","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238801","9.0532","0.0008","16.8067","0.0015","19.2508","0.0018","90","","90","","90","","2929.1","0.5","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","4-Ethynyl-<i>N</i>,<i>N</i>-diphenylaniline","","- C20 H15 N -","- C20 H15 N -","- C160 H120 N8 -","8","2","SU2660","Wang, Wan-Qiang","4-Ethynyl-<i>N</i>,<i>N</i>-diphenylaniline","Acta Crystallographica Section E","2013","69","11","o1722","","10.1107/S1600536813029036","","","0.71073","MoKα","","0.0464","0.0444","","","0.118","0.1209","","","","","","1.016","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238802","8.1848","0.0003","8.3253","0.0004","16.3194","0.0006","84.168","0.002","85.653","0.002","60.843","0.002","965.64","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-Allyl-7-nitro-2<i>H</i>-indazole","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","2","TK5258","Kouakou, Assoman; Rakib, El Mostapha; Spinelli, Domenico; Saadi, Mohamed; El Ammari, Lahcen","2-Allyl-7-nitro-2<i>H</i>-indazole","Acta Crystallographica Section E","2013","69","11","o1603","o1604","10.1107/S1600536813026743","","","0.71073","MoKα","","0.056","0.0463","","","0.1333","0.1423","","","","","","1.035","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238803","24.9063","0.0008","4.7226","0.0001","8.318","0.0003","90","","105.432","0.001","90","","943.11","0.05","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","<i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')barium]-bis(μ-<i>L</i>-histidine-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]","","- C12 H18 Ba N8 O10 -","- C12 H18 Ba N8 O10 -","- C24 H36 Ba2 N16 O20 -","2","0.5","TK5259","Arularasan, P.; Chakkaravarthi, G.; Mohan, R.","<i>catena</i>-Poly[[bis(nitrato-κ^2^<i>O</i>,<i>O</i>')barium]-bis(μ-<small>L</small>-histidine-κ^3^<i>O</i>,<i>O</i>':<i>O</i>]","Acta Crystallographica Section E","2013","69","11","m597","","10.1107/S1600536813027402","","","0.71073","MoKα","","0.0189","0.0189","","","0.0484","0.0484","","","","","","1.15","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238804","22.122","0.004","13.616","0.003","10.565","0.002","90","","115.23","0.03","90","","2878.7","1.2","95","2","95","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3,14-Diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane dichloride tetrahydrate","","- C22 H54 Cl2 N4 O4 -","- C22 H54 Cl2 N4 O4 -","- C88 H216 Cl8 N16 O16 -","4","0.5","TK5261","Moon, Dohyun; Subhan, Md Abdus; Choi, Jong-Ha","3,14-Diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane dichloride tetrahydrate from synchrotron radiation","Acta Crystallographica Section E","2013","69","11","o1620","","10.1107/S1600536813027232","","","0.72","synchrotron","","0.0308","0.0289","","","0.078","0.079","","","","","","1.046","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238805","7.0982","0.0003","8.4931","0.0004","20.497","0.0009","90","","90","","90","","1235.68","0.1","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,4,6-trinitrophenyl furan 2-carboxilate","2,4,6-Trinitrophenyl furan-2-carboxylate","","- C11 H5 N3 O9 -","- C11 H5 N3 O9 -","- C44 H20 N12 O36 -","4","1","TK5263","Moreno-Fuquen, Rodolfo; Mosquera, Fabricio; Kennedy, Alan R.","2,4,6-Trinitrophenyl furan-2-carboxylate","Acta Crystallographica Section E","2013","69","11","o1682","","10.1107/S1600536813028274","","","0.71073","MoKα","","0.0452","0.0389","","","0.0917","0.0948","","","","","","1.063","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238806","6.048","0.003","7.312","0.004","9.024","0.005","90","","100.78","0.01","90","","392","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2-[(1<i>H</i>-Pyrrol-2-yl)methyl]-1<i>H</i>-pyrrole","","- C9 H10 N2 -","- C9 H10 N2 -","- C18 H20 N4 -","2","1","TK5264","Kim, Chong-Hyeak; Jeon, Yea-Sel; Lynch, Vincent; Sessler, Jonathan L.; Hwang, Kwang-Jin","2-[(1<i>H</i>-Pyrrol-2-yl)methyl]-1<i>H</i>-pyrrole","Acta Crystallographica Section E","2013","69","11","o1697","","10.1107/S1600536813028365","","","0.71075","MoKα","","0.0815","0.0567","","","0.1195","0.1321","","","","","","1.048","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238807","18.0158","0.0004","5.9346","0.0001","25.548","0.0008","90","","90","","90","","2731.5","0.11","290","2","290","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","<i>N</i>-[(1,3-Benzodioxol-5-yl)methyl]benzenesulfonamide","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C112 H104 N8 O32 S8 -","8","1","TK5268","Maganhi, Stella H.; Tavares, Maurício T.; Damião, Mariana C. F. C. B.; Parise Filho, Roberto","<i>N</i>-[(1,3-Benzodioxol-5-yl)methyl]benzenesulfonamide: an analogue of capsaicin","Acta Crystallographica Section E","2013","69","11","o1700","","10.1107/S1600536813028481","","","0.71073","MoKα","","0.0774","0.0512","","","0.1322","0.1492","","","","","","1.04","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238808","13.439","0.003","15.636","0.003","18.644","0.004","90","","108.6","0.03","90","","3713.1","1.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","<i>tert</i>-Butyl 2-(6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl)acetate","","- C40 H47 F N2 O5 -","- C40 H47 F N2 O5 -","- C160 H188 F4 N8 O20 -","4","2","VM2197","Wu, Ya-Ming","<i>tert</i>-Butyl 2-(6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl)acetate","Acta Crystallographica Section E","2013","69","11","o1621","","10.1107/S160053681302624X","","","0.71073","MoKα","","0.1243","0.059","","","0.0879","0.104","","","","","","1","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238809","39.45","0.004","5.4465","0.0005","32.787","0.003","90","","119.185","0.009","90","","6150.4","1.1","223","","223","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Anthracene-1,4,9,10-tetraone","","- C14 H6 O4 -","- C14 H6 O4 -","- C336 H144 O96 -","24","3","VM2198","Kitamura, Chitoshi; Kawase, Takeshi","Anthracene-1,4,9,10-tetraone","Acta Crystallographica Section E","2013","69","11","o1597","","10.1107/S1600536813026342","","","0.71073","MoKα","","0.162","0.0698","","","0.1493","0.2044","","","","","","0.994","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238810","17.3634","0.0013","11.4669","0.0009","6.0818","0.0004","90","","90","","90","","1210.91","0.15","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","1<i>H</i>-Benzotriazole‒4-hydroxybenzoic acid (1/1)","","- C13 H11 N3 O3 -","- C13 H11 N3 O3 -","- C52 H44 N12 O12 -","4","1","VM2200","Thirunavukkarasu, A.; Silambarasan, A.; Chakkaravarthi, G.; Mohankumar, R.; Umarani, P. R.","1<i>H</i>-Benzotriazole‒4-hydroxybenzoic acid (1/1)","Acta Crystallographica Section E","2013","69","11","o1605","","10.1107/S1600536813026767","","","0.71073","MoKα","","0.0374","0.0307","","","0.07","0.074","","","","","","1.042","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238811","10.318","0.002","19.262","0.004","10.721","0.002","90","","113.32","0.03","90","","1956.7","0.8","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(μ-diphenylphosphanyl)bis[(trimethylphosphane)cobalt(I)](<i>Co</i>—<i>Co</i>)","","- C36 H56 Co2 P6 -","- C36 H56 Co2 P6 -","- C72 H112 Co4 P12 -","2","0.5","WM2765","Beck, Robert; Klein, Hans-Friedrich","Bis(μ-diphenylphosphanyl)bis[(trimethylphosphane)cobalt(I)](<i>Co</i>—<i>Co</i>)","Acta Crystallographica Section E","2013","69","11","m604","","10.1107/S1600536813027384","","","0.71073","MoKα","","0.0685","0.037","","","0.0768","0.083","","","","","","0.813","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238812","27.9894","0.001","12.3088","0.0005","19.3457","0.0007","90","","105.542","0.001","90","","6421.2","0.4","115","2","115","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tris(cyclohexylammonium) <i>cis</i>-dichloridobis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV) chloride monohydrate","","- C22 H44 Cl3 N3 O9 Sn -","- C22 H44 Cl3 N3 O9 Sn -","- C176 H352 Cl24 N24 O72 Sn8 -","8","1","WM2771","Sarr, Modou; Diallo, Waly; Diasse-Sarr, Aminata; Plasseraud, Laurent; Cattey, Hélène","Tris(cyclohexylammonium) <i>cis</i>-dichloridobis(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)stannate(IV) chloride monohydrate","Acta Crystallographica Section E","2013","69","11","m581","m582","10.1107/S1600536813026901","","","0.71073","MoKα","","0.0674","0.049","","","0.0865","0.0947","","","","","","1.223","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238813","7.1488","0.0006","19.7517","0.0018","8.5126","0.0007","90","","92.674","0.008","90","","1200.68","0.18","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dichloridobis[1-(2,4,6-trimethylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]copper(II)","","- C24 H28 Cl2 Cu N4 -","- C24 H28 Cl2 Cu N4 -","- C48 H56 Cl4 Cu2 N8 -","2","0.5","WM2773","Zhang, Yantao; Lin, Zhuzhen","Dichloridobis[1-(2,4,6-trimethylphenyl)-1<i>H</i>-imidazole-κ<i>N</i>^3^]copper(II)","Acta Crystallographica Section E","2013","69","11","m621","","10.1107/S1600536813028821","","","1.54178","CuKα","","0.0646","0.0521","","","0.1324","0.1446","","","","","","1.024","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238814","15.8353","0.0007","10.226","0.0004","12.6532","0.0004","90","","90","","90","","2048.96","0.14","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)","","- C22 H22 Mn N2 O4 -","- C22 H22 Mn N2 O4 -","- C88 H88 Mn4 N8 O16 -","4","0.5","WM2774","Suckert, Stefan; Jess, Inke; Näther, Christian","Redetermination of bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)","Acta Crystallographica Section E","2013","69","11","m620","","10.1107/S1600536813028614","","","0.71073","MoKα","","0.0562","0.0465","","","0.099","0.103","","","","","","1.161","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238815","9.36","0.0003","7.81198","0.00019","11.9892","0.0003","90","","110.11","0.003","90","","823.21","0.04","290","2","290","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis[(dimethylphosphoryl)methanaminium] tetrachloridopalladate(II)","","- C6 H22 Cl4 N2 O2 P2 Pd -","- C6 H22 Cl4 N2 O2 P2 Pd -","- C12 H44 Cl8 N4 O4 P4 Pd2 -","2","0.5","WM2775","Reiss, Guido J.","Bis[(dimethylphosphoryl)methanaminium] tetrachloridopalladate(II)","Acta Crystallographica Section E","2013","69","11","m614","m615","10.1107/S1600536813028067","","","0.71073","MoKα","","0.0302","0.0223","","","0.0479","0.0509","","","","","","1.089","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238816","6.5974","0.0002","6.8994","0.0002","6.9961","0.0002","83.325","0.001","63.898","0.001","80.145","0.001","281.45","0.015","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","Dicadmium divanadate(V)","","- Cd2 O7 V2 -","- Cd2 O7 V2 -","- Cd4 O14 V4 -","2","1","WM2776","Ould Saleck, Ahmed; Assani, Abderrazzak; Saadi, Mohamed; El Ammari, Lahcen","A triclinic polymorph of dicadmium divanadate(V)","Acta Crystallographica Section E","2013","69","11","i79","","10.1107/S1600536813028869","","","0.71073","MoKα","","0.0164","0.0155","","","0.0369","0.0374","","","","","","1.206","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238817","6.863","0.003","9.553","0.003","6.302","0.002","90","","90","","90","","413.2","0.3","293","2","293","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","Tridysprosium nickel","","- Dy3 Ni -","- Dy3 Ni -","- Dy12 Ni4 -","4","0.5","WM2777","Levytskyy, Volodymyr; Babizhetskyy, Volodymyr; Kotur, Bohdan; Smetana, Volodymyr","Redetermination of Dy~3~Ni from single-crystal X-ray data","Acta Crystallographica Section E","2013","69","11","i80","","10.1107/S1600536813028717","","","0.71073","MoKα","","0.0697","0.0417","","","0.0485","0.052","","","","","","1.12","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238818","8.8115","0.001","11.4587","0.0013","18.785","0.002","90","","98.226","0.002","90","","1877.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Di-μ-oxido-bis({2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}titanium(IV)) chloroform disolvate","","- C34 H30 Cl6 N4 O6 Ti2 -","- C34 H30 Cl6 N4 O6 Ti2 -","- C68 H60 Cl12 N8 O12 Ti4 -","2","0.5","WM2780","Zaitsev, Kirill V.; Karlov, Sergey S.; Zaitseva, Galina S.; Lermontova, Elmira Kh.; Churakov, Andrei V.","Di-μ-oxido-bis({2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}titanium(IV)) chloroform disolvate","Acta Crystallographica Section E","2013","69","11","m626","m627","10.1107/S1600536813029371","","","0.71073","MoKα","","0.0393","0.0314","","","0.0797","0.0836","","","","","","1.035","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238819","9.8118","0.0008","29.014","0.002","25.5854","0.0017","90","","90.196","0.006","90","","7283.6","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","di-benzylaminogossypol","2,2'-Bis{8-[(benzylamino)methylidene]-1,6-dihydroxy-5-isopropyl-8-[(benzylamino)methylidene]-3-methylnaphthalen-7(8<i>H</i>)-one}","","- C44 H44 N2 O6 -","- C44 H44 N2 O6 -","- C352 H352 N16 O48 -","8","2","XU5738","Hakberdiev, Shukhrat M.; Talipov, Samat A.; Dalimov, Davranbek N.; Ibragimov, Bakhtiyar T.","2,2'-Bis{8-[(benzylamino)methylidene]-1,6-dihydroxy-5-isopropyl-3-methylnaphthalen-7(8<i>H</i>)-one}","Acta Crystallographica Section E","2013","69","11","o1626","o1627","10.1107/S1600536813027281","","","1.54184","CuKα","","0.1166","0.0615","","","0.1637","0.1912","","","","","","0.937","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238820","4.8367","0.0003","9.0903","0.0006","9.4078","0.0006","108.091","0.001","100.637","0.001","102.275","0.001","369.95","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Poly[bis(ethanol)(μ~4~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato)cadmium]","","- C12 H12 Cd F4 O6 -","- C12 H12 Cd F4 O6 -","- C12 H12 Cd F4 O6 -","1","0.5","XU5740","Ko, Nakeun; Kim, Jaheon","Poly[bis(ethanol)(μ~4~-2,3,5,6-tetrafluorobenzene-1,4-dicarboxylato)cadmium]","Acta Crystallographica Section E","2013","69","11","m577","m578","10.1107/S1600536813026287","","","0.71073","MoKα","","0.0206","0.0204","","","0.0542","0.0543","","","1.107","","","1.102","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238821","9.7357","0.0003","15.6699","0.0006","13.0764","0.0005","90","","94.791","0.001","90","","1987.93","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~3~-5-<i>tert</i>-butylbenzene-1,3-dicarboxylato)dipyridinecobalt(II)]","","- C22 H22 Co N2 O4 -","- C22 H22 Co N2 O4 -","- C88 H88 Co4 N8 O16 -","4","1","XU5741","Noh, Kyungkyou; Kim, Jaheon","Poly[(μ~3~-5-<i>tert</i>-butylbenzene-1,3-dicarboxylato)dipyridinecobalt(II)]","Acta Crystallographica Section E","2013","69","11","m579","m580","10.1107/S1600536813026640","","","0.71073","MoKα","","0.0603","0.0489","","","0.1249","0.1345","","","","","","1.106","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238822","14.023","0.003","6.383","0.0013","30.493","0.006","90","","102.79","0.03","90","","2661.7","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","<i>N</i>-[5-(Diphenylphosphorylmethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl]-<i>N</i>-methylmethanesulfonamide","","- C28 H29 F N3 O3 P S -","- C28 H29 F N3 O3 P S -","- C112 H116 F4 N12 O12 P4 S4 -","4","1","XU5743","Wu, Ya-Ming","<i>N</i>-[5-(Diphenylphosphorylmethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin-2-yl]-<i>N</i>-methylmethanesulfonamide","Acta Crystallographica Section E","2013","69","11","o1673","","10.1107/S1600536813028286","","","0.71073","MoKα","","0.1406","0.0649","","","0.1138","0.1357","","","","","","1","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238823","11.305","0.002","11.102","0.002","8.8737","0.0016","90","","94.565","0.005","90","","1110.2","0.3","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Aminobenzoic acid‒4-[2-(pyridin-4-yl)ethyl]pyridine (2/1)","","- C26 H26 N4 O4 -","- C26 H26 N4 O4 -","- C52 H52 N8 O8 -","2","0.5","XU5744","Arman, Hadi D.; Tiekink, Edward R. T.","2-Aminobenzoic acid‒4-[2-(pyridin-4-yl)ethyl]pyridine (2/1)","Acta Crystallographica Section E","2013","69","11","o1616","","10.1107/S1600536813027128","","","0.71069","MoKα","","0.0477","0.045","","","0.1095","0.1119","","","","","","1.081","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238824","8.4282","0.0017","11.132","0.002","16.14","0.005","90","","121.39","0.02","90","","1292.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ^2^<i>O</i>,<i>O</i>')copper(II)","","- C10 H8 Cu N4 O6 -","- C10 H8 Cu N4 O6 -","- C40 H32 Cu4 N16 O24 -","4","1","XU5745","Liu, Feng-Yi; Zhang, Ming-Hui; Kou, Jun-Feng","(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ^2^<i>O</i>,<i>O</i>')copper(II)","Acta Crystallographica Section E","2013","69","11","m609","","10.1107/S1600536813028201","","","0.71073","MoKα","","0.0509","0.0353","","","0.0888","0.0983","","","","","","1.042","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238825","7.859","0.002","5.9448","0.0015","19.83","0.005","90","","100.962","0.003","90","","909.6","0.4","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","<i>catena</i>-Poly[2-methylpyridinium [tungstate-di-μ-selenido-silver-di-μ-selenido] 2-methylpyridine monosolvate]","","- C12 H15 Ag N2 Se4 W -","- C12 H15 Ag N2 Se4 W -","- C24 H30 Ag2 N4 Se8 W2 -","2","0.5","XU5746","Zhou, Lu-Jun; Shi, Hua-Tian; Xu, Chao; Chen, Qun; Zhang, Qian-Feng","<i>catena</i>-Poly[2-methylpyridinium [tungstate-di-μ-selenido-silver-di-μ-selenido] 2-methylpyridine monosolvate]","Acta Crystallographica Section E","2013","69","11","m608","","10.1107/S1600536813028213","","","0.71073","MoKα","","0.05","0.0337","","","0.0713","0.0778","","","","","","0.968","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238826","9.1","0.0002","12.549","0.0004","14.407","0.0005","90","","90","","90","","1645.22","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,3<i>R</i>,8<i>R</i>)-10-Bromomethyl-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","","- C16 H23 Br Cl2 -","- C16 H23 Br Cl2 -","- C64 H92 Br4 Cl8 -","4","1","YK2099","Bimoussa, Abdoullah; Auhmani, Aziz; Ait Itto, My Youssef; Daran, Jean-Claude; Auhmani, Abdelwahed","Absolute configuration of (1<i>S</i>,3<i>R</i>,8<i>R</i>)-10-bromomethyl-2,2-dichloro-3,7,7-trimethyltricyclo[6.4.0.0^1,3^]dodec-9-ene","Acta Crystallographica Section E","2013","69","11","o1692","o1693","10.1107/S1600536813028183","","","1.54184","CuKα","","0.0281","0.0267","","","0.0681","0.0695","","","","","","1.039","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238827","17.9719","0.0009","9.7654","0.0005","7.3637","0.0003","90","","92.134","0.001","90","","1291.45","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(2<i>R</i>,2'<i>S</i>)-2,2'-Bipiperidine-1,1'-diium dibromide","","- C10 H22 Br2 N2 -","- C10 H22 Br2 N2 -","- C40 H88 Br8 N8 -","4","0.5","ZL2557","Yang, Guang; Noll, Bruce C.; Rybak-Akimova, Elena V.","(2<i>R</i>,2'<i>S</i>)-2,2'-Bipiperidine-1,1'-diium dibromide","Acta Crystallographica Section E","2013","69","11","o1711","","10.1107/S1600536813028754","","","0.71073","MoKα","","0.0212","0.0179","","","0.0438","0.0449","","","","","","1.109","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238828","6.7117","0.0011","12.1495","0.0019","13.102","0.003","82.714","0.015","89.252","0.016","83.238","0.013","1052.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Bis(2,4,6-triamino-1,3,5-triazin-1-ium) 2-[bis(carboxylatomethyl)azaniumyl]acetate trihydrate","","- C12 H27 N13 O9 -","- C12 H27 N13 O9 -","- C24 H54 N26 O18 -","2","1","ZL2565","Hoxha, Kreshnik; Prior, Timothy J.","Bis(2,4,6-triamino-1,3,5-triazin-1-ium) 2-[bis(carboxylatomethyl)azaniumyl]acetate trihydrate","Acta Crystallographica Section E","2013","69","11","o1674","o1675","10.1107/S1600536813028250","","","0.71073","MoKα","","0.141","0.0843","","","0.2137","0.2435","","","","","","0.951","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238829","27.9353","0.0014","5.9247","0.0003","18.7763","0.0007","90","","126.527","0.003","90","","2497.2","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-Methyl-<i>N</i>-(4-nitrobenzylidene)piperazin-1-amine","","- C12 H16 N4 O2 -","- C12 H16 N4 O2 -","- C96 H128 N32 O16 -","8","1","ZL2568","Kavitha, Channappa N.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H.S.; Kaur, Manpreet","4-Methyl-<i>N</i>-(4-nitrobenzylidene)piperazin-1-amine","Acta Crystallographica Section E","2013","69","11","o1687","o1688","10.1107/S1600536813028493","","","1.54184","CuKα","","0.0491","0.0405","","","0.1101","0.1189","","","","","","1.024","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238830","27.397","0.0017","9.5764","0.0006","21.6754","0.0014","90","","97.433","0.001","90","","5639.1","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[diaqua[μ~2~-4-(4-carboxyphenoxy)benzoato](μ~2~-4,4'-oxydibenzoato)praseodymium(III)] monohydrate]","","- C28 H23 O13 Pr -","- C28 H23 O13 Pr -","- C224 H184 O104 Pr8 -","8","1","ZS2278","Li, Ping; Su, Duo-Meng; Zheng, Chang-Ge","<i>catena</i>-Poly[[diaqua[μ~2~-4-(4-carboxyphenoxy)benzoato](μ~2~-4,4'-oxydibenzoato)praseodymium(III)] monohydrate]","Acta Crystallographica Section E","2013","69","11","m586","m587","10.1107/S1600536813026421","","","0.71073","MoKα","","0.0274","0.0245","","","0.0565","0.0588","","","","","","1.08","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238831","10.231","0.002","8.754","0.002","12.826","0.003","90","","101.27","0.03","90","","1126.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>''-(trichloroacetyl)phosphoramide","","- C4 H9 Cl3 N3 O2 P -","- C4 H9 Cl3 N3 O2 P -","- C16 H36 Cl12 N12 O8 P4 -","4","1","BG2520","Ovchynnikov, Vladimir","<i>N</i>,<i>N</i>'-Dimethyl-<i>N</i>''-(trichloroacetyl)phosphoramide","Acta Crystallographica Section E","2013","69","12","o1759","","10.1107/S1600536813030389","","","0.71073","MoKα","","0.0951","0.0765","","","0.1821","0.1954","","","","","","1.079","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238832","8.1267","0.0006","9.857","0.0008","17.2099","0.0012","90","","93.564","0.007","90","","1375.93","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>exo</i>-1,7-Dimethyl-4-phenyl-10-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","","- C16 H15 N O3 -","- C16 H15 N O3 -","- C64 H60 N4 O12 -","4","1","BH2487","Pineda-Contreras, Armando; Vázquez-Vuelvas, Oscar Fernando; Negrete-López, Laura Edith; García-Ortega, Héctor; Flores-Alamo, Marcos","<i>exo</i>-1,7-Dimethyl-4-phenyl-10-oxa-4-azatricyclo[5.2.1.0^2,6^]dec-8-ene-3,5-dione","Acta Crystallographica Section E","2013","69","12","o1756","","10.1107/S1600536813030262","","","0.71073","MoKα","","0.0556","0.0399","","","0.0899","0.1012","","","","","","1.024","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238833","12.537","0.003","6.6745","0.0013","28.975","0.006","90","","90","","90","","2424.6","0.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(5-amino-1<i>H</i>-tetrazole-κ<i>N</i>^4^)diaqua(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cadmium","","- C4 H10 Cd N10 O6 -","- C4 H10 Cd N10 O6 -","- C32 H80 Cd8 N80 O48 -","8","1","BH2488","Liang, Qian; Wang, Yulin; Zhao, Yan; Cao, Gaojuan","Bis(5-amino-1<i>H</i>-tetrazole-κ<i>N</i>^4^)diaqua(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cadmium","Acta Crystallographica Section E","2013","69","12","m645","m646","10.1107/S1600536813030158","","","0.71073","MoKα","","0.0299","0.0293","","","0.0782","0.0786","","","","","","1.065","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238834","9.3327","0.0008","12.4575","0.0007","10.3103","0.0007","90","","105.469","0.008","90","","1155.27","0.15","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(11a<i>S</i>)-1,5,11,11a-Tetrahydro-1-benzothieno[3,2-<i>f</i>]indolizin-3(2<i>H</i>)-one","","- C14 H13 N O S -","- C14 H13 N O S -","- C56 H52 N4 O4 S4 -","4","2","BQ2390","Vrábel, Viktor; Sivý, Július; Šafář, Peter; Kožíšek, Jozef","(11a<i>S</i>)-1,5,11,11a-Tetrahydro-1-benzothieno[3,2-<i>f</i>]indolizin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2013","69","12","o1819","o1820","10.1107/S1600536813031693","","","0.71073","MoKα","","0.0735","0.0395","","","0.0581","0.0645","","","","","","0.944","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238835","10.3982","0.0009","16.087","0.002","6.4421","0.0006","90","","120.425","0.009","90","","929.21","0.19","298","2","298","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Trisodium dicobalt(II) (arsenate/phosphate) (diarsenate/diphosphate)","","- As2.42 Co2 Na3 O11 P0.57 -","- As2.425 Co2 Na2.9975 O11 P0.575 -","- As9.7 Co8 Na11.99 O44 P2.3 -","4","0.5","BR2232","Ben Smida, Youssef; Guesmi, Abderrahmen; Zid, Mohamed Faouzi; Driss, Ahmed","Na~3~Co~2~(As~0.52~P~0.48~)O~4~(As~0.95~P~0.05~)~2~O~7~","Acta Crystallographica Section E","2013","69","12","i85","i86","10.1107/S1600536813032029","","","0.71073","MoKα","","0.0226","0.0199","","","0.0485","0.0494","","","","","","1.149","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238836","9.021","0.005","9.604","0.005","15.254","0.005","72.72","0.005","76.997","0.005","63.875","0.005","1126.1","0.9","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","16-Methyl-11-(2-methylphenyl)-14-phenyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.0^2,7^.0^13,17^]heptadeca-2(7),3,5,13(17),15-pentaene-10-carbonitrile","","- C28 H23 N3 O2 -","- C28 H23 N3 O2 -","- C56 H46 N6 O4 -","2","1","BT6941","Kanchanadevi, Jeevanandam; Anbalagan, Gopalakrishnan; Kannan, Damodharan; Bakthadoss, Manickam; Manivannan, Vadivelu","16-Methyl-11-(2-methylphenyl)-14-phenyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.0^2,7^.0^13,17^]heptadeca-2(7),3,5,13(17),15-pentaene-10-carbonitrile","Acta Crystallographica Section E","2013","69","12","o1746","","10.1107/S1600536813029905","","","0.71073","MoKα","","0.0627","0.0431","","","0.1181","0.1328","","","","","","1.028","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238837","13.8803","0.0006","8.3195","0.0005","15.9035","0.0007","90","","90","","90","","1836.49","0.16","200","2","200","2","","","","","","","","6","C m c 21","C 2c -2","36","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(pyridine-κ<i>N</i>)(thiocyanato-κ<i>N</i>)manganese(III)","","- C16 H19 Mn N2 O4 S -","- C16 H19 Mn N2 O4 S -","- C64 H76 Mn4 N8 O16 S4 -","4","0.5","BT6942","Suckert, Stefan; Jess, Inke; Näther, Christian","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(pyridine-κ<i>N</i>)(thiocyanato-κ<i>N</i>)manganese(III): a redetermination using data from a single crystal","Acta Crystallographica Section E","2013","69","12","m657","","10.1107/S1600536813030407","","","0.71073","MoKα","","0.0346","0.0302","","","0.064","0.066","","","","","","1.044","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238838","7.3477","0.0007","15.4143","0.0014","20.3747","0.0019","104.642","0.008","92.414","0.008","90.793","0.007","2230","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)<i>-N</i>,<i>N</i>-Diethyl-2,6-diisopropyl-4-[2-(4-nitrophenyl)ethenyl]aniline","","- C24 H32 N2 O2 -","- C24 H32 N2 O2 -","- C96 H128 N8 O8 -","4","2","BT6943","Wink, Christoph; Schollmeyer, Dieter; Detert, Heiner","(<i>E</i>)<i>-N</i>,<i>N</i>-Diethyl-2,6-diisopropyl-4-[2-(4-nitrophenyl)ethenyl]aniline","Acta Crystallographica Section E","2013","69","12","o1785","o1786","10.1107/S1600536813030948","","","0.71073","MoKα","","0.1559","0.0567","","","0.1328","0.1739","","","","","","0.79","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238839","6.5975","0.0002","15.2612","0.0003","8.2688","0.0002","90","","100.045","0.003","90","","819.79","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(1<i>S</i>,3<i>R</i>,8<i>R</i>,10<i>R</i>)-2,2-Dibromo-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","","- C16 H24 Br2 O -","- C16 H24 Br2 O -","- C32 H48 Br4 O2 -","2","1","BT6944","Benharref, Ahmed; Mazoir, Noureddine; Daran, Jean-Claude; Berraho, Moha","(1<i>S</i>,3<i>R</i>,8<i>R</i>,10<i>R</i>)-2,2-Dibromo-3,7,7,10-tetramethyltricyclo[6.4.0.0^1,3^]dodecan-9-one","Acta Crystallographica Section E","2013","69","12","o1777","o1778","10.1107/S1600536813030936","","","1.54184","CuKα","","0.022","0.0219","","","0.0572","0.0573","","","","","","1.072","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238840","8.2615","0.0003","10.7624","0.0005","13.2432","0.0006","68.606","0.002","80.554","0.003","81.012","0.002","1075.53","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-1-[2-(4-Fluoro-2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]propan-1-one","","- C25 H19 F N2 O5 S -","- C25 H19 F N2 O5 S -","- C50 H38 F2 N4 O10 S2 -","2","1","BT6945","Umadevi, M.; Saravanan, V.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.","(<i>E</i>)-1-[2-(4-Fluoro-2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]propan-1-one","Acta Crystallographica Section E","2013","69","12","o1780","","10.1107/S1600536813030961","","","0.71073","MoKα","","0.0835","0.0552","","","0.1518","0.1757","","","","","","1.025","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238841","7.75379","0.00016","11.9658","0.0003","14.9005","0.0003","90","","90","","90","","1382.47","0.05","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Chloro-3-methylphenyl quinoline-2-carboxylate","","- C17 H12 Cl N O2 -","- C17 H12 Cl N O2 -","- C68 H48 Cl4 N4 O8 -","4","1","BT6947","Fazal, E.; Kaur, Manpreet; Sudha, B. S.; Nagarajan, S.; Jasinski, Jerry P.","4-Chloro-3-methylphenyl quinoline-2-carboxylate","Acta Crystallographica Section E","2013","69","12","o1842","o1843","10.1107/S1600536813032017","","","1.54184","CuKα","","0.0329","0.032","","","0.0841","0.085","","","","","","1.049","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238842","12.71","0.003","13.227","0.003","14.431","0.003","110.28","0.03","109.22","0.03","91.72","0.03","2120.2","1.1","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","[6,6'-Bis(1,1-dimethylethyl)-4,4'-dimethyl-2,2'-methylenediphenolato-κ^2^<i>O</i>,<i>O</i>']dichlorido(9<i>H</i>-fluoren-9-ol-κ<i>O</i>)titanium(IV)‒fluorene‒diethyl ether (1/0.5/1)","","- C46.5 H55 Cl2 O4 Ti -","- C46.5 H55 Cl2 O4 Ti -","- C93 H110 Cl4 O8 Ti2 -","2","1","BV2226","Nielson, Alastair J.; Shen, Chaohong; Waters, Joyce M.","[6,6'-Bis(1,1-dimethylethyl)-4,4'-dimethyl-2,2'-methylenediphenolato-κ^2^<i>O</i>,<i>O</i>']dichlorido(9<i>H</i>-fluoren-9-ol-κ<i>O</i>)titanium(IV)‒fluorene‒diethyl ether (1/0.5/1)","Acta Crystallographica Section E","2013","69","12","m673","m674","10.1107/S1600536813030249","","","0.71073","MoKα","","0.0521","0.0363","","","0.0782","0.0858","","","","","","1.074","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2238843","6.3368","0.0003","8.2642","0.0004","21.0277","0.0011","84.057","0.004","89.798","0.004","86.062","0.004","1092.68","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","4-(3-Fluoro-4-methylanilino)-2-methylidene-4-oxobutanoic acid","4-(3-Fluoro-4-methylanilino)-2-methylidene-4-oxobutanoic acid","","- C12 H12 F N O3 -","- C12 H12 F N O3 -","- C48 H48 F4 N4 O12 -","4","2","BV2227","Nayak, Prakash S.; Narayana, B.; Jasinski, Jerry P.; Yathirajan, H. S.; Kaur, Manpreet","4-(3-Fluoro-4-methylanilino)-2-methylidene-4-oxobutanoic acid","Acta Crystallographica Section E","2013","69","12","o1752","","10.1107/S160053681302998X","","","0.7107","MoKα","","0.1127","0.0808","","","0.197","0.2205","","","","","","1.059","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238844","6.1679","0.0012","11.094","0.002","20.502","0.004","90","","90","","90","","1402.9","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-[(Quinolin-8-yloxy)methyl]-1<i>H</i>-benzimidazole monohydrate","","- C17 H15 N3 O2 -","- C17 H15 N3 O2 -","- C68 H60 N12 O8 -","4","1","BX2452","Tang, Lin; Zhang, Yue; Wen, Yonghong","2-[(Quinolin-8-yloxy)methyl]-1<i>H</i>-benzimidazole monohydrate","Acta Crystallographica Section E","2013","69","12","o1838","","10.1107/S1600536813031322","","","0.71073","MoKα","","0.043","0.0391","","","0.0844","0.0866","","","","","","1.06","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238845","7.9844","0.001","14.1416","0.0017","18.553","0.002","90","","98.158","0.002","90","","2073.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-[(<i>tert</i>-Butyldiphenylsilyloxy)methyl]pyridazin-3(2<i>H</i>)-one","","- C21 H24 N2 O2 Si -","- C21 H24 N2 O2 Si -","- C84 H96 N8 O8 Si4 -","4","1","BX2453","Costas-Lago, María Carmen; Costas, Tamara; Vila, Noemí; Terán, Carmen","5-[(<i>tert</i>-Butyldiphenylsilyloxy)methyl]pyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2013","69","12","o1826","o1827","10.1107/S160053681303167X","","","0.71073","MoKα","","0.0958","0.0532","","","0.1358","0.1721","","","","","","1.006","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238846","11.697","0.0002","15.026","0.0003","29.777","0.0006","90","","99.864","0.002","90","","5156.21","0.17","180","2","180","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","Chlorido(η^6^-<i>N</i>^2^-diphenylphosphanyl-<i>N</i>^1^,<i>N</i>^1^-diisopropyl-4-methoxybenzamidine-κ<i>P</i>)(triphenylphosphane-κ<i>P</i>)ruthenium(II) trifluoromethansulfonate acetone disolvate","","- C51 H58 Cl F3 N2 O6 P2 Ru S -","- C51 H58 Cl F3 N2 O6 P2 Ru S -","- C204 H232 Cl4 F12 N8 O24 P8 Ru4 S4 -","4","1","CQ2007","Kéchaou-Perrot, Manel; Vendier, Laure; Igau, Alain","Chlorido(η^6^-<i>N</i>^2^-diphenylphosphanyl-<i>N</i>^1^,<i>N</i>^1^-diisopropyl-4-methoxybenzamidine-κ<i>P</i>)(triphenylphosphane-κ<i>P</i>)ruthenium(II) trifluoromethansulfonate acetone disolvate","Acta Crystallographica Section E","2013","69","12","m659","m660","10.1107/S1600536813029450","","","0.71073","MoKα","","0.0626","0.0428","","","0.0827","0.0892","","","","","","1.092","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238847","19.3078","0.0015","11.2651","0.0008","20.535","0.003","90","","90","","90","","4466.5","0.8","123","","123","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Di-<i>μ</i>~2~-acetato-1:2<i>κ</i>^2^<i>O</i>:<i>O</i>';2:3<i>κ</i>^2^<i>O</i>:<i>O</i>'-bis{<i>μ</i>~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2<i>κ</i>^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3<i>κ</i>^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricadmium(II)","","- C42 H42 Cd3 Cl4 N4 O8 -","- C42 H42 Cd3 Cl4 N4 O8 -","- C168 H168 Cd12 Cl16 N16 O32 -","4","0.5","CQ2008","Kubono, Koji; Tani, Keita; Yokoi, Kunihiko; Shinmyozu, Teruo; Goto, Kenta","Di-<i>{μ</i>}~2~-acetato-1:2<i>{κ</i>}^2^<i>O</i>:<i>O</i>';2:3<i>{κ</i>}^2^<i>O</i>:<i>O</i>'-bis{<i>{μ</i>}~2~-4,4'-dichloro-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}-1:2<i>{κ</i>}^6^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':<i>O</i>,<i>O</i>';2:3<i>{κ</i>}^6^<i>O</i>,<i>O</i>':<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'-tricadmium","Acta Crystallographica Section E","2013","69","12","m629","m630","10.1107/S1600536813029413","","","0.71075","MoKα","","","0.0186","","","","0.058","","","","","","1","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238848","8.8437","0.0001","16.7099","0.0002","11.7157","0.0002","90","","92.419","0.001","90","","1729.77","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-(10-bromoanthracen-9-yl)-5-methyl-1,2-oxazole-4-carboxylate","","- C21 H16 Br N O3 -","- C21 H16 Br N O3 -","- C84 H64 Br4 N4 O12 -","4","1","CV5433","Li, Chun; Campbell, Michael J.; Weaver, Matthew J.; Duncan, Nathan S.; Hunting, Janet L.; Natale, Nicholas R.","Ethyl 3-(10-bromoanthracen-9-yl)-5-methyl-1,2-oxazole-4-carboxylate","Acta Crystallographica Section E","2013","69","12","o1804","o1805","10.1107/S1600536813031395","","","0.71073","MoKα","","0.0257","0.0247","","","0.0736","0.0742","","","","","","1.045","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238849","14.693","0.002","13.531","0.002","16.347","0.002","90","","90","","90","","3250","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ethyl 8-(2,4-dichlorophenyl)-6-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyridine-7-carboxylate","","- C16 H13 Cl2 N3 O2 -","- C16 H13 Cl2 N3 O2 -","- C128 H104 Cl16 N24 O16 -","8","1","CV5435","Li, Yang; Sun, Chen; Zhang, Ran","Ethyl 8-(2,4-dichlorophenyl)-6-methyl-1,2,4-triazolo[1,5-<i>a</i>]pyridine-7-carboxylate","Acta Crystallographica Section E","2013","69","12","o1796","","10.1107/S160053681303033X","","","0.71073","MoKα","","0.0678","0.0545","","","0.1582","0.1704","","","","","","1.069","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238850","10.8728","0.0007","13.4403","0.001","9.0695","0.0006","90","","103.68","0.005","90","","1287.76","0.16","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","(C7H10NO)2.SnBr6.2H2O","Bis(2-methoxyanilinium) hexabromidostannate(IV) dihydrate","","- C14 H24 Br6 N2 O4 Sn -","- C14 H24 Br6 N2 O4 Sn -","- C28 H48 Br12 N4 O8 Sn2 -","2","0.5","CV5437","Chouaib, Hassen; Karoui, Sahel; Kamoun, Slaheddine; Michaud, Francois","Bis(2-methoxyanilinium) hexabromidostannate(IV) dihydrate","Acta Crystallographica Section E","2013","69","12","m678","m679","10.1107/S1600536813031681","","","0.71073","MoKα","","0.0695","0.0611","","","0.1484","0.1561","","","","","","1.069","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238851","8.1114","0.0005","11.8942","0.0007","12.397","0.0007","90","","106.402","0.001","90","","1147.37","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-Dinitrodiphenyl ether","1-Nitro-4-(4-nitrophenoxy)benzene","","- C12 H8 N2 O5 -","- C12 H8 N2 O5 -","- C48 H32 N8 O20 -","4","1","DS2235","Naz, Mehwish; Akhter, Zareen; McKee, Vickie; Nadeem, Arif","1-Nitro-4-(4-nitrophenoxy)benzene: a second monoclinic polymorph","Acta Crystallographica Section E","2013","69","12","o1747","","10.1107/S1600536813029346","","","0.71073","MoKα","","0.0485","0.0387","","","0.0964","0.1035","","","","","","1.062","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238852","15.8871","0.0001","15.8871","0.0001","15.93","0.0002","90","","90","","90","","4020.73","0.06","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","2,2,2-Trifluoro-<i>N</i>-(2-iodophenyl)acetamide","","- C8 H5 F3 I N O -","- C8 H5 F3 I N O -","- C128 H80 F48 I16 N16 O16 -","16","1","FF2122","Ruchun, Yang; Hui, Zhang; BanPeng, Cao","2,2,2-Trifluoro-<i>N</i>-(2-iodophenyl)acetamide","Acta Crystallographica Section E","2013","69","12","o1749","","10.1107/S1600536813029851","","","0.71073","MoKα","","0.0788","0.0437","","","0.0833","0.1046","","","","","","1.059","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238853","8.3356","0.001","8.841","0.001","13.696","0.002","74.103","0.007","83.263","0.006","83.56","0.007","960.6","0.2","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","","Hexa-μ-acetato-1:2κ^4^<i>O</i>,<i>O</i>';1:2κ^2^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>,<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>-bis(4,4'-dimethyl-2,2'-bipyridine)-1κ^2^<i>N</i>,<i>N</i>';3κ^2^<i>N</i>,<i>N</i>'-2-calcium-1,3-dizinc","","- C36 H42 Ca N4 O12 Zn2 -","- C36 H42 Ca N4 O12 Zn2 -","- C36 H42 Ca N4 O12 Zn2 -","1","0.5","FJ2647","Pramanik, Avijit; Fronczek, Frank R.; Venkatraman, Ramaiyer; Hossain, Md. Alamgir","Hexa-μ-acetato-1:2κ^4^<i>O</i>,<i>O</i>';1:2κ^2^<i>O</i>:<i>O</i>;2:3κ^4^<i>O</i>,<i>O</i>';2:3κ^2^<i>O</i>:<i>O</i>-bis(4,4'-dimethyl-2,2'-bipyridine)-1κ^2^<i>N</i>,<i>N</i>';3κ^2^<i>N</i>,<i>N</i>'-2-calcium-1,3-dizinc","Acta Crystallographica Section E","2013","69","12","m643","m644","10.1107/S1600536813030122","","","0.71073","MoKα","","0.046","0.034","","","0.081","0.086","","","","","","1.049","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238854","4.8474","0.0002","15.2776","0.0006","20.5546","0.0006","90","","96.113","0.004","90","","1513.55","0.1","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[μ~2~-<i>N</i>^2^,<i>N</i>^2'^-Bis(3-methoxy-2-oxidobenzylidene)benzene-1,3-dicarbohydrazidato]bis[pyridinecopper(II)]","","- C34 H28 Cu2 N6 O6 -","- C34 H28 Cu2 N6 O6 -","- C68 H56 Cu4 N12 O12 -","2","0.5","FJ2648","Tong, Hai-Bin; Xiao, Zi-Jing","[μ~2~-<i>N</i>^2^,<i>N</i>^2'^-Bis(3-methoxy-2-oxidobenzylidene)benzene-1,3-dicarbohydrazidato]bis[pyridinecopper(II)]","Acta Crystallographica Section E","2013","69","12","m658","","10.1107/S1600536813030286","","","1.54178","CuKα","","0.0579","0.0453","","","0.1222","0.1332","","","","","","1.059","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238855","24.427","0.003","30.875","0.004","10.0956","0.0013","90","","90","","90","","7613.9","1.7","173","2","173","2","","","","","","","","6","F d d 2","F 2 -2d","43","","{2,2'-[Ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(isopropanolato)aluminium dichloromethane hemisolvate","","- C19.5 H22 Al Cl N2 O3 -","- C19.5 H22 Al Cl N2 O3 -","- C312 H352 Al16 Cl16 N32 O48 -","16","1","FK2075","Zaitsev, Kirill V.; Kuchuk, Ekaterina A.; Karlov, Sergey S.; Zaitseva, Galina S.; Churakov, Andrei V.","{2,2'-[Ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}(isopropanolato)aluminium dichloromethane hemisolvate","Acta Crystallographica Section E","2013","69","12","m631","m632","10.1107/S1600536813029644","","","0.71073","MoKα","","0.0397","0.0337","","","0.078","0.0812","","","","","","1.043","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238856","4.5886","0.0005","8.5213","0.0011","13.9621","0.0015","75.898","0.013","87.669","0.013","77.58","0.014","517.05","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","4-Hydroxy-3-methoxybenzaldehyde thiosemicarbazone","4-Hydroxy-3-methoxybenzaldehyde thiosemicarbazone","","- C9 H11 N3 O2 S -","- C9 H11 N3 O2 S -","- C18 H22 N6 O4 S2 -","2","1","FY2108","de Oliveira, Adriano Bof; Feitosa, Bárbara Regina Santos; Näther, Christian; Jess, Inke","4-Hydroxy-3-methoxybenzaldehyde thiosemicarbazone","Acta Crystallographica Section E","2013","69","12","o1861","","10.1107/S1600536813032303","","","0.71073","MoKα","","0.0447","0.0359","","","0.0957","0.1","","","","","","1.026","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238857","10.1163","0.0005","10.2176","0.0004","13.8162","0.0006","72.074","0.004","70.108","0.004","63.889","0.005","1184.53","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","[2-(1-Hydroxycyclohexyl)-2-(4-methoxyphenyl)ethyl]dimethylazanium benzenesulfonate monohydrate","","- C23 H35 N O6 S -","- C23 H35 N O6 S -","- C46 H70 N2 O12 S2 -","2","1","GG2130","Corvalan, Carolina H.; Vega, Daniel R.","Venlafaxine besylate monohydrate","Acta Crystallographica Section E","2013","69","12","o1737","o1738","10.1107/S1600536813027542","","","0.71073","MoKα","","0.0962","0.0534","","","0.1511","0.1631","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2238858","6.893","0.004","8.257","0.006","13.33","0.01","72.78","0.03","87.44","0.03","69.42","0.03","676.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium tetrachloridozincate","","- C6 H18 Cl4 N2 Zn -","- C6 H18 Cl4 N2 Zn -","- C12 H36 Cl8 N4 Zn2 -","2","1","GK2591","Akhtar, Muhammad; Fettouhi, Mohammed; Ahmed, Maqsood; Khan, Islam Ullah; Ahmad, Saeed","<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetramethylethylenediammonium tetrachloridozincate","Acta Crystallographica Section E","2013","69","12","m642","","10.1107/S1600536813029802","","","0.71073","MoKα","","0.0551","0.0309","","","0.0675","0.0749","","","","","","1.048","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2238859","8.171","0.0008","10.0684","0.0009","10.6066","0.001","98.331","0.003","94.22","0.003","95.367","0.003","856.23","0.14","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 2-[1-(3-methylbutyl)-4-phenyl-1<i>H</i>-1,2,3-triazol-5-yl]-2-oxoacetate","","- C17 H21 N3 O3 -","- C17 H21 N3 O3 -","- C34 H42 N6 O6 -","2","1","GK2593","Ahmed, Muhammad Naeem; Yasin, Khawaja Ansar; Tahir, M. Nawaz; Hafeez, Muhammad; Aziz, Shahid","Ethyl 2-[1-(3-methylbutyl)-4-phenyl-1<i>H</i>-1,2,3-triazol-5-yl]-2-oxoacetate","Acta Crystallographica Section E","2013","69","12","o1768","","10.1107/S1600536813030420","","","0.71073","MoKα","","0.0613","0.0468","","","0.1415","0.1558","","","","","","1.055","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238860","3.91001","0.00015","11.3347","0.0004","17.8432","0.0006","90","","93.4","0.003","90","","789.4","0.05","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Dimethoxybenzonitrile","","- C9 H9 N O2 -","- C9 H9 N O2 -","- C36 H36 N4 O8 -","4","1","GK2594","Bugenhagen, Bernhard; Al Jasem, Yosef; Thiemann, Thies","2,5-Dimethoxybenzonitrile","Acta Crystallographica Section E","2013","69","12","o1808","","10.1107/S1600536813031309","","","0.7107","MoKα","","0.0596","0.0439","","","0.1028","0.116","","","","","","1.058","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238861","4.9248","0.0002","5.5117","0.0002","16.3894","0.0007","83.721","0.002","89.038","0.002","86.765","0.002","441.48","0.03","115","","115","","","","","","","","","6","P 1","P 1","1","","(-)-(<i>S</i>)-<i>N</i>-Benzyl-2-[(<i>R</i>)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide","","- C18 H21 Br F N O2 -","- C18 H21 Br F N O2 -","- C18 H21 Br F N O2 -","1","1","GW2140","Rousselin, Yoann; Laureano, Hugo; Clavel, Alexandre","A triclinic polymorph of ({-})-(<i>S</i>)-<i>N</i>-benzyl-2-[(<i>R</i>)-6-fluorochroman-2-yl]-2-hydroxyethanaminium bromide","Acta Crystallographica Section E","2013","69","12","o1794","o1795","10.1107/S1600536813030377","","","0.71073","MoKα~1~","","0.021","0.0209","","","0.0522","0.0523","","","","","","1.114","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238862","12.822","0.0003","8.2709","0.0002","14.6165","0.0004","90","","112.841","0.001","90","","1428.52","0.06","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(4-Acetylphenyl)-4-methoxybenzenesulfonamide","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","HB7153","Kobkeatthawin, Thawanrat; Chantrapromma, Suchada; Chidan Kumar, C. S.; Fun, Hoong-Kun","<i>N</i>-(4-Acetylphenyl)-4-methoxybenzenesulfonamide","Acta Crystallographica Section E","2013","69","12","o1750","o1751","10.1107/S1600536813029875","","","0.71073","MoKα","","0.0855","0.0466","","","0.114","0.1347","","","","","","1.036","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238863","9.6625","0.0003","10.8994","0.0002","15.8154","0.0004","90","","90","","90","","1665.61","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3a<i>R</i>,8b<i>R</i>)-3a,8b-Dihydroxy-2-methylsulfanyl-3-nitro-1-phenyl-1,8b-dihydroindeno [1,2-<i>b</i>]pyrrol-4(3a<i>H</i>)-one","","- C18 H14 N2 O5 S -","- C18 H14 N2 O5 S -","- C72 H56 N8 O20 S4 -","4","1","HB7154","Nagalakshmi, R. A.; Suresh, J.; Jeyachandran, V.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","(3a<i>R</i>,8b<i>R</i>)-3a,8b-Dihydroxy-2-methylsulfanyl-3-nitro-1-phenyl-1,8b-dihydroindeno[1,2-<i>b</i>]pyrrol-4(3a<i>H</i>)-one","Acta Crystallographica Section E","2013","69","12","o1770","o1771","10.1107/S1600536813029577","","","0.71073","MoKα","","0.0366","0.0324","","","0.088","0.0916","","","","","","1.002","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238864","12.9105","0.0009","6.1738","0.0004","16.9255","0.0011","90","","90.341","0.007","90","","1349.05","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(5'-Fluoro-2'-methoxybiphenyl-3-yl)-1,3,4-oxadiazol-2-amine","","- C15 H12 F N3 O2 -","- C15 H12 F N3 O2 -","- C60 H48 F4 N12 O8 -","4","1","HB7155","Usha, M. K.; Ramaprasad, G. C.; Kalluraya, Balakrishna; Kant, Rajni; Gupta, Vivek K.; Revannasiddaiah, D.","5-(5'-Fluoro-2'-methoxybiphenyl-3-yl)-1,3,4-oxadiazol-2-amine","Acta Crystallographica Section E","2013","69","12","o1788","","10.1107/S1600536813031206","","","0.71073","MoKα","","0.1157","0.0535","","","0.1046","0.1346","","","","","","1.006","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238865","8.754","0.0007","13.6648","0.001","15.3465","0.0011","97.206","0.001","91.186","0.002","99.924","0.001","1792.3","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","Bis{4-[(<i>E</i>)-2-(1<i>H</i>-indol-3-yl)ethenyl]-1-methylpyridinium} 4-chlorobenzenesulfonate nitrate","","- C38 H34 Cl N5 O6 S -","- C38 H34 Cl N5 O6 S -","- C76 H68 Cl2 N10 O12 S2 -","2","1","HB7156","Fun, Hoong-Kun; Quah, Ching Kheng; Boonnak, Nawong; Chantrapromma, Suchada","Bis{4-[(<i>E</i>)-2-(1<i>H</i>-indol-3-yl)ethenyl]-1-methylpyridinium} 4-chlorobenzenesulfonate nitrate","Acta Crystallographica Section E","2013","69","12","o1753","o1754","10.1107/S1600536813030080","","","0.71073","MoKα","","0.0937","0.0743","","","0.2312","0.2541","","","","","","1.048","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238866","10.836","0.001","7.5409","0.0007","16.349","0.003","90","","93.52","0.01","90","","1333.4","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Imidazolium <i>trans</i>-diaquadioxalatochromate(III) dihydrate","","- C7 H13 Cr N2 O12 -","- C7 H13 Cr N2 O12 -","- C28 H52 Cr4 N8 O48 -","4","0.5","HB7157","Chérif, Ichraf; Abdelhak, Jawher; Zid, Mohamed Faouzi; Driss, Ahmed","Imidazolium <i>trans</i>-diaquadioxalatochromate(III) dihydrate","Acta Crystallographica Section E","2013","69","12","m667","m668","10.1107/S160053681303078X","","","0.71073","MoKα","","0.0311","0.0294","","","0.0845","0.0857","","","","","","1.116","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238867","10.5618","0.0002","11.2123","0.0002","11.3084","0.0002","89.974","0.001","77.619","0.001","70.842","0.001","1232.03","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-(Adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","","- C26 H37 N5 S -","- C26 H37 N5 S -","- C52 H74 N10 S2 -","2","1","HB7161","Al-Abdullah, Ebtehal S.; Al-Tuwaijri, Hanaa M.; El-Emam, Ali A.; Chidan Kumar, C. S.; Fun, Hoong-Kun","3-(Adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-ethyl-1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione","Acta Crystallographica Section E","2013","69","12","o1813","o1814","10.1107/S1600536813031127","","","1.54178","CuKα","","0.0429","0.0403","","","0.1147","0.1167","","","","","","1.076","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238868","7.176","0.0003","8.6895","0.0004","12.1555","0.0006","92.645","0.002","92.115","0.002","103.781","0.002","734.47","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","2-[(<i>E</i>)-2-(4-Methoxyphenyl)ethenyl]-1-methylpyridinium iodide","","- C15 H16 I N O -","- C15 H16 I N O -","- C30 H32 I2 N2 O2 -","2","1","HB7162","Senthil, K.; Kalainathan, S.; RubanKumar, A.; Ramkumar, V.; Podder, Jiban","2-[(<i>E</i>)-2-(4-Methoxyphenyl)ethenyl]-1-methylpyridinium iodide","Acta Crystallographica Section E","2013","69","12","o1848","","10.1107/S1600536813031929","","","0.71073","MoKα","","0.0217","0.0204","","","0.0512","0.0523","","","","","","1.089","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238869","19.1707","0.0005","6.4106","0.0002","14.2838","0.0003","90","","103.366","0.002","90","","1707.87","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-(Adamantan-1-yl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide","","- C20 H26 N2 S -","- C20 H26 N2 S -","- C80 H104 N8 S4 -","4","1","HB7163","El-Emam, Ali A.; Al-Abdullah, Ebtehal S.; Al-Tuwaijri, Hanaa M.; Chidan Kumar, C. S.; Fun, Hoong-Kun","<i>N</i>-(Adamantan-1-yl)-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide","Acta Crystallographica Section E","2013","69","12","o1815","","10.1107/S1600536813031516","","","1.54178","CuKα","","0.0512","0.0412","","","0.1075","0.1143","","","","","","1.074","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238870","6.38693","0.00018","16.8893","0.0005","12.2649","0.0004","90","","103.527","0.003","90","","1286.32","0.07","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Chlorophenyl quinoline-2-carboxylate","","- C16 H10 Cl N O2 -","- C16 H10 Cl N O2 -","- C64 H40 Cl4 N4 O8 -","4","1","HB7166","Fazal, E.; Kaur, Manpreet; Sudha, B. S.; Nagarajan, S.; Jasinski, Jerry P.","4-Chlorophenyl quinoline-2-carboxylate","Acta Crystallographica Section E","2013","69","12","o1841","","10.1107/S1600536813032054","","","1.54184","CuKα","","0.0445","0.0385","","","0.0984","0.1035","","","","","","1.05","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238871","8.2595","0.0004","10.0175","0.0004","12.5257","0.0006","88.798","0.004","78.824","0.004","89.22","0.003","1016.45","0.08","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","3-[1-(4-Bromophenyl)ethoxy]-2,2,5-trimethyl-4-phenyl-3-azahexane","","- C22 H30 Br N O -","- C22 H30 Br N O -","- C44 H60 Br2 N2 O2 -","2","1","HG5350","Pitliya, Praveen; Butcher, Ray J.; Karim, A.; Hudrlik, Paul F.; Hudrlik, Anne M.; Raghavan, D.","3-[1-(4-Bromophenyl)ethoxy]-2,2,5-trimethyl-4-phenyl-3-azahexane","Acta Crystallographica Section E","2013","69","12","o1792","o1793","10.1107/S1600536813029966","","","0.71073","MoKα","","0.1355","0.0663","","","0.1006","0.1232","","","","","","1.083","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238872","10.1258","0.0007","10.4671","0.0008","17.8888","0.0012","100.833","0.006","92.527","0.005","116.812","0.007","1643.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)- 2-phenylacetamide","<i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenylacetamide","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","2","HG5356","Kaur, Manpreet; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Narayana, B.","<i>N</i>-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1<i>H</i>-pyrazol-4-yl)-2-phenylacetamide","Acta Crystallographica Section E","2013","69","12","o1726","o1727","10.1107/S1600536813029590","","","1.54184","CuKα","","0.0526","0.0462","","","0.1234","0.1302","","","","","","1.036","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238873","8.5795","0.0006","9.8373","0.0007","13.6999","0.0008","70.03","0.006","76.779","0.005","79.362","0.006","1050.74","0.13","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","(2-{[4-(Chloridomercuryl)phenyl]iminomethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')diiodidomercury(II) dimethyl sulfoxide monosolvate","","- C14 H15 Cl Hg2 I2 N2 O S -","- C14 H15 Cl Hg2 I2 N2 O S -","- C28 H30 Cl2 Hg4 I4 N4 O2 S2 -","2","1","HG5358","Basu Baul, Tushar S.; Longkumer, Imliwati; Ng, Seik Weng; Tiekink, Edward R. T.","(2-{[4-(Chloridomercuryl)phenyl]iminomethyl}pyridine-κ^2^<i>N</i>,<i>N</i>')diiodidomercury(II) dimethyl sulfoxide monosolvate","Acta Crystallographica Section E","2013","69","12","m633","m634","10.1107/S1600536813029693","","","0.71073","MoKα","","0.0798","0.053","","","0.1234","0.1431","","","","","","1.034","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238874","4.7223","0.0005","13.9357","0.0017","23.028","0.003","90","","90","","90","","1515.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-5-Bromo-2-hydroxy-3-methoxybenzylidene]benzohydrazide monohydrate","","- C15 H15 Br N2 O4 -","- C15 H15 Br N2 O4 -","- C60 H60 Br4 N8 O16 -","4","1","HG5359","Emmanuel, Jessy; Sithambaresan, M.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-5-Bromo-2-hydroxy-3-methoxybenzylidene]benzohydrazide monohydrate","Acta Crystallographica Section E","2013","69","12","o1775","o1776","10.1107/S1600536813030572","","","0.71073","MoKα","","0.0693","0.0444","","","0.1","0.114","","","","","","0.888","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238875","7.9617","0.0003","9.6379","0.0004","10.5783","0.0005","71.351","0.001","82.023","0.001","66.757","0.001","706.6","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ-2-hydroxymethyl-2-methylpropane-1,3-diolato)bis[dichloridotitanium(IV)] diethyl ether disolvate","","- C18 H40 Cl4 O8 Ti2 -","- C18 H40 Cl4 O8 Ti2 -","- C18 H40 Cl4 O8 Ti2 -","1","0.5","HG5360","Nielson, Alastair J.; Shen, Chaohong; Waters, Joyce M.","Bis(μ-2-hydroxymethyl-2-methylpropane-1,3-diolato)bis[dichloridotitanium(IV)] diethyl ether disolvate","Acta Crystallographica Section E","2013","69","12","m676","m677","10.1107/S1600536813031504","","","0.71073","MoKα","","0.0249","0.0215","","","0.059","0.0606","","","","","","1.043","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238876","16.402","0.002","7.7699","0.001","16.403","0.002","90","","115.466","0.001","90","","1887.3","0.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(5-hydroxyisophthalato-κ<i>O</i>^1^)bis[4-(pyridine-3-carboxamido-κ<i>N</i>^3^)pyridinium]copper(II) tetrahydrate","","- C38 H36 Cu N6 O16 -","- C38 H36 Cu N6 O16 -","- C76 H72 Cu2 N12 O32 -","2","0.5","HG5361","O'Donovan, Megan E.; LaDuca, Robert L.","Bis(5-hydroxyisophthalato-κ<i>O</i>^1^)bis[4-(pyridine-3-carboxamido-κ<i>N</i>^3^)pyridinium]copper(II) tetrahydrate","Acta Crystallographica Section E","2013","69","12","m663","","10.1107/S1600536813030675","","","0.71073","MoKα","","0.0315","0.0272","","","0.0728","0.0759","","","","","","1.069","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238877","9.969","0.0006","12.8677","0.0006","5.8409","0.0003","90","","106.491","0.006","90","","718.44","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Methylaspartic acid monohydrate","","- C5 H11 N O5 -","- C5 H11 N O5 -","- C20 H44 N4 O20 -","4","1","HG5362","Brewer, Greg; Burton, Aaron S.; Dworkin, Jason P.; Butcher, Ray J.","2-Methylaspartic acid monohydrate","Acta Crystallographica Section E","2013","69","12","o1856","o1857","10.1107/S1600536813032170","","","1.54178","CuKα","","0.093","0.0897","","","0.2704","0.2787","","","","","","1.202","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238878","7.9642","0.0016","12.53","0.003","8.709","0.0017","90","","113.66","0.03","90","","796","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[di-μ~9~-citrato-tetrasodiumzinc]","","- C12 H10 Na4 O14 Zn -","- C12 H10 Na4 O14 Zn -","- C24 H20 Na8 O28 Zn2 -","2","0.5","HY2639","Ma, Yu-Hong; Yang, Hong-Wei; Hao, Jing-Tuan; Ma, Pi-Zhuang; Yao, Ting","Poly[di-μ~9~-citrato-tetrasodiumzinc]","Acta Crystallographica Section E","2013","69","12","m672","","10.1107/S1600536813030067","","","0.71073","MoKα","","0.049","0.0367","","","0.0712","0.0745","","","","","","1.149","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238879","12.8246","0.0003","11.9115","0.0003","8.5375","0.0002","90","","99.735","0.001","90","","1285.41","0.05","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(6-Bromobenzo[<i>d</i>]thiazol-2-yl)-5,5-dimethylthiazol-4(5<i>H</i>)-one","","- C12 H9 Br N2 O S2 -","- C12 H9 Br N2 O S2 -","- C48 H36 Br4 N8 O4 S8 -","4","1","IM2444","Würfel, Hendryk; Görls, Helmar; Weiss, Dieter; Beckert, Rainer","2-(6-Bromobenzo[<i>d</i>]thiazol-2-yl)-5,5-dimethylthiazol-4(5<i>H</i>)-one","Acta Crystallographica Section E","2013","69","12","o1821","","10.1107/S1600536813031334","","","0.71073","MoKα","","0.0295","0.0251","","","0.0615","0.0645","","","","","","1.018","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238880","8.82","0.0004","10.4769","0.0005","19.7407","0.001","80.211","0.001","78.984","0.001","69.784","0.001","1669.51","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(1-Allyl-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide","","- C17 H17 N3 O2 S -","- C17 H17 N3 O2 S -","- C68 H68 N12 O8 S4 -","4","2","IM2445","Chicha, Hakima; Rakib, El Mostapha; Abderrafia, Hafid; Saadi, Mohamed; El Ammari, Lahcen","<i>N</i>-(1-Allyl-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide","Acta Crystallographica Section E","2013","69","12","o1847","","10.1107/S1600536813032091","","","0.71073","MoKα","","0.0553","0.042","","","0.1102","0.1204","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238881","12.5204","0.001","10.4962","0.0007","12.983","0.001","90","","98.892","0.002","90","","1685.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(<i>Z</i>)-3-(1-chloroprop-1-enyl)-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole","","- C18 H16 Cl N O2 S -","- C18 H16 Cl N O2 S -","- C72 H64 Cl4 N4 O8 S4 -","4","1","IS5320","Umadevi, M.; Saravanan, V.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.","(<i>Z</i>)-3-(1-Chloroprop-1-enyl)-2-methyl-1-phenylsulfonyl-1<i>H</i>-indole","Acta Crystallographica Section E","2013","69","12","o1781","","10.1107/S1600536813030730","","","0.71073","MoKα","","0.0646","0.0415","","","0.1026","0.1182","","","","","","1.03","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238882","19.5","0.009","5.291","0.002","6.0809","0.0015","90","","94.27","0.03","90","","625.7","0.4","292","","292","","","","","","","","","3","P 1 21 1","P 2yb","4","","(-)-Benzyl 2,3-dideoxy-β-<i>D</i>-<i>erythro</i>-hex-2-enopyranoside","","- C13 H16 O4 -","- C13 H16 O4 -","- C26 H32 O8 -","2","1","IS5321","Ohba, Shigeru; Okazaki, Hayato; Ueda, Yuji; Hanaya, Kengo; Shoji, Mitsuru; Sugai, Takeshi","({-})-Benzyl 2,3-dideoxy-β-<small>D</small>-<i>erythro</i>-hex-2-enopyranoside","Acta Crystallographica Section E","2013","69","12","o1811","","10.1107/S1600536813031140","","","0.71069","MoKα","","","0.0563","","","","0.2547","","","","","","1.044","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238883","10.2772","0.0007","8.661","0.0006","18.898","0.0014","90","","90.676","0.002","90","","1682","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1-(2-Bromomethyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)propan-1-one","","- C18 H16 Br N O3 S -","- C18 H16 Br N O3 S -","- C72 H64 Br4 N4 O12 S4 -","4","1","IS5323","Umadevi, M.; Saravanan, V.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.","1-(2-Bromomethyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)propan-1-one","Acta Crystallographica Section E","2013","69","12","o1802","o1803","10.1107/S1600536813031413","","","0.71073","MoKα","","0.1289","0.0519","","","0.11","0.1329","","","","","","1","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238884","6.1598","0.0005","7.7223","0.0006","11.4952","0.0007","80.683","0.006","83.494","0.006","74.614","0.007","518.83","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","2-(Phenylselenonyl)pyridine","","- C11 H9 N O2 Se -","- C11 H9 N O2 Se -","- C22 H18 N2 O4 Se2 -","2","1","JJ2170","Gulati, Shivani; Bhasin, K. K.; Potapov, V. A.; Arora, Ekta; Butcher, Ray J.","2-(Phenylselenonyl)pyridine","Acta Crystallographica Section E","2013","69","12","o1791","","10.1107/S1600536813029978","","","0.71073","MoKα","","0.0696","0.0469","","","0.0798","0.0901","","","","","","1.013","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238885","5.9089","0.0005","10.4444","0.001","11.9274","0.0011","90","","90","","90","","736.1","0.12","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Isovaline monohydrate","2-Azaniumyl-2-methylbutanoate monohydrate","","- C5 H13 N O3 -","- C5 H13 N O3 -","- C20 H52 N4 O12 -","4","1","JJ2178","Butcher, Ray J.; Brewer, Greg; Burton, Aaron S.; Dworkin, Jason P.","Isovaline monohydrate","Acta Crystallographica Section E","2013","69","12","o1829","o1830","10.1107/S1600536813031620","","","1.54184","CuKα","","0.064","0.0564","","","0.1565","0.1624","","","","","","1.109","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238886","16.9052","0.0002","16.798","0.0002","14.3805","0.0002","90","","97.272","0.001","90","","4050.83","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","<i>catena</i>-Poly[[aqualithium(I)]-μ-3-carboxy-5,6-dimethylpyrazine-2-carboxylato-κ^4^<i>O</i>^2^,<i>N</i>^1^:<i>O</i>^3^,<i>N</i>^4^]","","- C8 H9 Li N2 O5 -","- C8 H9 Li N2 O5 -","- C128 H144 Li16 N32 O80 -","16","2","KP2460","Starosta, Wojciech; Leciejewicz, Janusz","<i>catena</i>-Poly[[aqualithium(I)]-μ-3-carboxy-5,6-dimethylpyrazine-2-carboxylato-κ^4^<i>O</i>^2^,<i>N</i>^1^:<i>O</i>^3^,<i>N</i>^4^]","Acta Crystallographica Section E","2013","69","12","m655","m656","10.1107/S1600536813030493","","","1.54178","CuKα","","0.0518","0.0402","","","0.1051","0.1103","","","","","","0.972","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238887","16.2367","0.0007","7.1047","0.0002","11.4018","0.0003","90","","90","","90","","1315.28","0.08","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","4-Formyl-2-nitrophenyl 2-chlorobenzoate","","- C14 H8 Cl N O5 -","- C14 H8 Cl N O5 -","- C56 H32 Cl4 N4 O20 -","4","1","LH5661","Moreno-Fuquen, Rodolfo; Hernandez, Geraldine; Ellena, Javier; De Simone, Carlos A.; Tenorio, Juan C.","4-Formyl-2-nitrophenyl 2-chlorobenzoate","Acta Crystallographica Section E","2013","69","12","o1806","","10.1107/S1600536813031346","","","0.71073","MoKα","","0.0722","0.0439","","","0.1043","0.1197","","","","","","1.031","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238888","11.6611","0.0005","13.1823","0.0005","13.2251","0.0005","77.25","0.003","87.32","0.003","67.342","0.004","1828.15","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 6-(4-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","","- C21 H18 Cl F O3 -","- C21 H18 Cl F O3 -","- C84 H72 Cl4 F4 O12 -","4","2","LH5662","Sapnakumari, M.; Narayana, B.; Yathirajan, H.S.; Jasinski, Jerry P.; Butcher, Ray J.","Ethyl 6-(4-chlorophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate","Acta Crystallographica Section E","2013","69","12","o1839","o1840","10.1107/S1600536813031851","","","1.54178","CuKα","","0.0584","0.0554","","","0.1456","0.1483","","","","","","1.093","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238889","7.1135","0.0008","19.4512","0.0011","30.8","0.002","90","","90","","90","","4261.7","0.6","223.15","","223.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,9-Dimethyl-1,10-phenanthrolin-1-ium 2,4,5-tricarboxybenzoate monohydrate","","- C24 H20 N2 O9 -","- C24 H20 N2 O9 -","- C192 H160 N16 O72 -","8","1","LH5664","Zhong, Kai-Long","2,9-Dimethyl-1,10-phenanthrolin-1-ium 2,4,5-tricarboxybenzoate monohydrate","Acta Crystallographica Section E","2013","69","12","o1782","o1783","10.1107/S1600536813030857","","","0.71073","MoKα","","0.1489","0.0881","","","0.2192","0.2719","","","","","","1.001","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238890","8.3978","0.0003","11.2689","0.0004","15.921","0.0006","90","","90","","90","","1506.67","0.09","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-<i>N</i>-Benzyl-2,6-dideoxy-2,6-imino-3,4-<i>O</i>-isopropylidene-<i>D</i>-allononitrile","","- C16 H20 N2 O3 -","- C16 H20 N2 O3 -","- C64 H80 N8 O12 -","4","1","LH5665","Ayers, Benjamin J.; Jenkinson, Sarah F.; Fleet, George W. J.; Thompson, Amber L.","2-<i>N</i>-Benzyl-2,6-dideoxy-2,6-imino-3,4-<i>O</i>-isopropylidene-<small>D</small>-allononitrile","Acta Crystallographica Section E","2013","69","12","o1772","","10.1107/S1600536813030584","","","0.71073","MoKα","","0.0731","0.0436","","0.1207","0.0948","0.1207","","","","","","0.9532","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238891","6.07","0.0003","7.1073","0.0004","24.2183","0.0013","90","","94.035","0.005","90","","1042.22","0.1","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","caesium 4-nitrobenzoate dihydrate","Poly[μ~3~-aqua-aqua-μ~5~-(4-nitrobenzoato)-caesium]","","- C7 H8 Cs N O6 -","- C7 H8 Cs N O6 -","- C28 H32 Cs4 N4 O24 -","4","1","LH5666","Smith, Graham","Poly[μ~3~-aqua-aqua-μ~5~-(4-nitrobenzoato)-caesium]","Acta Crystallographica Section E","2013","69","12","m664","m665","10.1107/S1600536813030638","","","0.71073","MoKα","","0.0385","0.0321","","","0.0711","0.0739","","","","","","1.149","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238892","7.371","0.003","13.741","0.003","15.065","0.004","115.269","0.004","95.327","0.003","101.323","0.004","1325.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) pentacyanidonitrosoferrate(II)","","- C61 H48 Cu2 Fe N14 O -","- C61 H48 Cu2 Fe N14 O -","- C61 H48 Cu2 Fe N14 O -","1","0.5","LH5667","Rusanova, Julia A.; Kozachuk, Olesia V.; Semenaka, Valentyna V.; Dyakonenko, Viktoriya V.","Bis(2,9-dimethyl-1,10-phenanthroline)copper(I) pentacyanidonitrosoferrate(II)","Acta Crystallographica Section E","2013","69","12","m684","m685","10.1107/S1600536813031760","","","0.71073","MoKα","","0.0945","0.05","","","0.0995","0.1085","","","","","","0.931","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238893","7.2509","0.0011","15.67","0.002","14.529","0.002","90","","99.579","0.003","90","","1627.8","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","LH5668","Koh, Dongsoo","(<i>E</i>)-1-(2-Hydroxy-6-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","Acta Crystallographica Section E","2013","69","12","o1809","","10.1107/S1600536813031498","","","0.71073","MoKα","","0.1382","0.0493","","","0.1039","0.1463","","","","","","0.833","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238894","8.7927","0.0008","17.417","0.0015","12.5014","0.0012","90","","98.69","0.009","90","","1892.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","{4-Chloro-<i>N</i>'-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]benzohydrazidato-κ^2^<i>N</i>',<i>O</i>}dimethyltin(IV)","","- C20 H17 Cl N2 O2 Sn -","- C20 H17 Cl N2 O2 Sn -","- C80 H68 Cl4 N8 O8 Sn4 -","4","1","LH5669","Cui, Jichun; Qiao, Yanling; Wang, Fei","{4-Chloro-<i>N</i>'-[(2-oxidonaphthalen-1-yl-κ<i>O</i>)methylidene]benzohydrazidato-κ^2^<i>N</i>',<i>O</i>}dimethyltin(IV)","Acta Crystallographica Section E","2013","69","12","m688","","10.1107/S1600536813031826","","","0.71073","MoKα","","0.0577","0.0397","","","0.0929","0.1074","","","","","","1.06","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238895","14.4259","0.0014","6.6145","0.0006","21.722","0.002","90","","94.166","0.003","90","","2067.2","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1-Benzoyl-4-thiobiuret","{[(Phenylformamido)carbonyl]amino}methanethioamide","","- C9 H9 N3 O2 S -","- C9 H9 N3 O2 S -","- C72 H72 N24 O16 S8 -","8","1","LR2116","Kim, Namhun; Kim, Haneol; Kang, Sung Kwon","A monoclinic polymorph of 1-benzoyl-4-thiobiuret","Acta Crystallographica Section E","2013","69","12","o1760","","10.1107/S1600536813030250","","","0.71073","MoKα","","0.0834","0.0467","","","","0.1151","","","","","","1.027","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238896","10.774","0.004","7.988","0.003","24.681","0.01","90","","100.207","0.007","90","","2090.5","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[(<i>tert</i>-Butyldiphenylsilyloxy)methyl]pyridazin-3(2<i>H</i>)-one","","- C21 H24 N2 O2 Si -","- C21 H24 N2 O2 Si -","- C84 H96 N8 O8 Si4 -","4","1","LR2118","Costas-Lago, María Carmen; Costas, Tamara; Vila, Noemí; Besada, Pedro","4-[(<i>tert</i>-Butyldiphenylsilyloxy)methyl]pyridazin-3(2<i>H</i>)-one","Acta Crystallographica Section E","2013","69","12","o1859","o1860","10.1107/S1600536813032212","","","0.71073","MoKα","","0.0918","0.0464","","","0.1171","0.1484","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238897","18.086","0.0004","19.1755","0.0004","19.4619","0.0004","90","","90","","90","","6749.5","0.2","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","<i>catena</i>-Poly[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylendiammonium [[tetrabromidoantimonate(III)]-μ-bromido] hemihydrate]","","- C12 H38 Br10 N4 O Sb2 -","- C12 H38 Br10 N4 O Sb2 -","- C96 H304 Br80 N32 O8 Sb16 -","8","1","NC2318","Kharrat, Houda; Kamoun, Slaheddine; Michaud, François","<i>catena</i>-Poly[<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylendiammonium [[tetrabromidoantimonate(III)]-μ-bromido] hemihydrate]","Acta Crystallographica Section E","2013","69","12","m637","m638","10.1107/S1600536813028894","","","0.71073","MoKα","","0.1261","0.0473","","","0.0748","0.089","","","","","","1.014","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238898","7.371","0.0011","9.0675","0.0011","14.704","0.002","90","","105.041","0.011","90","","949.1","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethane-1,2-diaminium 2,2'-[terephthaloylbis(azanediyl)]diacetate tetrahydrate","","- C14 H28 N4 O10 -","- C14 H28 N4 O10 -","- C28 H56 N8 O20 -","2","0.5","NC2319","Pook, Niels-Patrick; Gjikaj, Mimoza; Adam, Arnold","Ethane-1,2-diaminium 2,2'-[terephthaloylbis(azanediyl)]diacetate tetrahydrate","Acta Crystallographica Section E","2013","69","12","o1731","","10.1107/S1600536813029632","","","0.71073","MoKα","","0.0442","0.0384","","","0.0934","0.0963","","","","","","1.091","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238899","12.529","0.0004","13.0264","0.0004","14.5681","0.0005","90","","111.674","0.003","90","","2209.53","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diethyl [4-(2,2':6',2''-terpyridine-4'-yl)phenyl]phosphonate","","- C25 H24 N3 O3 P -","- C25 H24 N3 O3 P -","- C100 H96 N12 O12 P4 -","4","1","NC2320","Chyba, Jan; Necas, Marek; Pinkas, Jiri","Diethyl [4-(2,2':6',2''-terpyridine-4'-yl)phenyl]phosphonate","Acta Crystallographica Section E","2013","69","12","o1824","","10.1107/S1600536813031541","","","0.71073","MoKα","","0.0492","0.0298","","","0.0716","0.0747","","","","","","1.015","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238900","8.724","0.003","15.141","0.006","17.844","0.007","93.89","0.03","99.19","0.03","103.26","0.03","2251.3","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>-(4-Methoxyphenyl)-6-methyl-2-phenyl-5-{[4-(trifluoromethyl)anilino]methyl}pyrimidin-4-amine","","- C26 H23 F3 N4 O -","- C26 H23 F3 N4 O -","- C104 H92 F12 N16 O4 -","4","2","NC2321","Cieplik, Jerzy; Pluta, Janusz; Bryndal, Iwona; Lis, Tadeusz","<i>N</i>-(4-Methoxyphenyl)-6-methyl-2-phenyl-5-{[4-(trifluoromethyl)anilino]methyl}pyrimidin-4-amine","Acta Crystallographica Section E","2013","69","12","o1831","o1832","10.1107/S160053681303170X","","","0.71073","MoKα","","0.0799","0.0538","","","0.1123","0.1247","","","","","","1.034","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238901","12.7884","0.0006","8.0546","0.0006","21.4116","0.001","90","","94.069","0.004","90","","2200","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl <i>N</i>-(3-cyano-1<i>H</i>-indol-2-yl)formimidate","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C96 H88 N24 O8 -","8","1","NG5344","Ruchun, Yang; Hui, Zhang; BanPeng, Cao","Ethyl <i>N</i>-(3-cyano-1<i>H</i>-indol-2-yl)formimidate","Acta Crystallographica Section E","2013","69","12","o1745","","10.1107/S1600536813029589","","","0.71073","MoKα","","0.0526","0.0402","","","0.1027","0.1104","","","","","","1.122","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238902","13.1252","0.0019","17.281","0.003","6.4777","0.0009","90","","90","","90","","1469.2","0.4","103","2","103","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","<i>catena</i>-Poly[[tetra-μ-formato-κ^8^<i>O</i>:<i>O</i>'-dicopper(II)]-μ-hexamethylenetetramine-κ^2^<i>N</i>^1^:<i>N</i>^5^]","","- C10 H16 Cu2 N4 O8 -","- C10 H16 Cu2 N4 O8 -","- C40 H64 Cu8 N16 O32 -","4","0.5","NG5345","Cao, Jianfang; Huang, Ziping; Cao, Changnian; Cheng, Chunchun; Sun, Chunyan","<i>catena</i>-Poly[[tetra-μ-formato-κ^8^<i>O</i>:<i>O</i>'-dicopper(II)]-μ-hexamethylenetetramine-κ^2^<i>N</i>^1^:<i>N</i>^5^]","Acta Crystallographica Section E","2013","69","12","m690","","10.1107/S160053681303184X","","","0.71073","MoKα","","0.0333","0.0282","","","","0.0766","","","1.042","","","1.042","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238903","12.4748","0.0017","5.363","0.0006","17.021","0.002","90","","90.699","0.005","90","","1138.7","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,2-Bis(4-benzyloxy-2-hydroxybenzylidene)hydrazine","5,5'-Bis(benzyloxy)-2,2'-[hydrazinediylidenebis(methanylylidene)]diphenol","","- C28 H24 N2 O4 -","- C28 H24 N2 O4 -","- C56 H48 N4 O8 -","2","0.5","NG5346","Sajitha, N. R.; Sithambaresan, M.; Kurup, M. R. Prathapachandra","5,5'-Bis(benzyloxy)-2,2'-[hydrazinediylidenebis(methanylylidene)]diphenol","Acta Crystallographica Section E","2013","69","12","o1755","","10.1107/S1600536813030171","","","0.71073","MoKα","","0.0856","0.0435","","","0.1004","0.122","","","","","","1.008","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238904","11.1933","0.0004","7.7564","0.0003","13.7728","0.0005","90","","121.741","0.002","90","","1016.91","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methyl 2-amino-4,5-dimethoxybenzoate","","- C10 H13 N O4 -","- C10 H13 N O4 -","- C40 H52 N4 O16 -","4","1","NG5347","Hill, Tania N.; Patel, Naadiya","Methyl 2-amino-4,5-dimethoxybenzoate","Acta Crystallographica Section E","2013","69","12","o1779","","10.1107/S1600536813030894","","","0.71073","MoKα","","","0.038","","","","0.1089","","","","","","1.051","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238905","10.8504","0.0003","22.2977","0.0008","20.3988","0.0008","90","","90","","90","","4935.3","0.3","293","2","293","2","","","","","","","","5","I b a 2","I 2 -2c","45","","Di-<i>n</i>-butyl[4-hydroxy-<i>N</i>'-(3-methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>,<i>O</i>]tin(IV)","","- C23 H30 N2 O4 Sn -","- C23 H30 N2 O4 Sn -","- C184 H240 N16 O32 Sn8 -","8","1","NG5348","Qiao, Yanling; Wang, Fei","Di-<i>n</i>-butyl[4-hydroxy-<i>N</i>'-(3-methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)benzohydrazidato-κ^2^<i>N</i>,<i>O</i>]tin(IV)","Acta Crystallographica Section E","2013","69","12","m675","","10.1107/S1600536813031401","","","0.71073","MoKα","","0.0624","0.0387","","","0.0662","0.0755","","","","","","1.011","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238906","11.7109","0.0013","13.0181","0.0014","13.398","0.0014","72.337","0.005","66.78","0.005","82.742","0.006","1788.6","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","(3-Methylbenzonitrile-κ<i>N</i>)tetrakis(μ-<i>N</i>-phenylacetamidato)-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-dirhodium(II)(<i>Rh</i>—<i>Rh</i>)","","- C40 H39 N5 O4 Rh2 -","- C40 H39 N5 O4 Rh2 -","- C80 H78 N10 O8 Rh4 -","2","1","PK2497","Eagle, Cassandra T.; Atem-Tambe, Nkongho; Kpogo, Kenneth K.; Tan, Jennie; Quarshie, Fredricka","(3-Methylbenzonitrile-κ<i>N</i>)tetrakis(μ-<i>N</i>-phenylacetamidato)-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-dirhodium(II)(<i>Rh</i>—<i>Rh</i>)","Acta Crystallographica Section E","2013","69","12","m639","","10.1107/S1600536813029838","","","0.71075","MoKα","","0.0861","0.0493","","","0.0903","0.1016","","","","","","1.042","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238907","5.007","0.001","11.642","0.002","12.739","0.003","63.66","0.03","82.69","0.03","82.75","0.03","658","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>-(2-Oxoazepan-3-yl)cyclohexanecarboxamide","","- C13 H22 N2 O2 -","- C13 H22 N2 O2 -","- C26 H44 N4 O4 -","2","1","PK2501","Chunjuan, Shi; Zhao, Yang","<i>N</i>-(2-Oxo-2,3,4,5,6,7-hexahydro-1<i>H</i>-azepin-3-yl)cyclohexanecarboxamide","Acta Crystallographica Section E","2013","69","12","o1837","","10.1107/S1600536813031863","","","0.71073","MoKα","","0.0953","0.0624","","","0.1576","0.1774","","","","","","1.008","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238908","9.3691","0.0004","17.7016","0.0008","14.2208","0.0007","90","","92.779","0.003","90","","2355.72","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(μ~3~-Hydrido)[μ~3~-2-(trimethylsilyl)ethylidyne-\ κ^3^<i>C</i>^1^:<i>C</i>^1^:<i>C</i>^1^]tetrakis[(η^5^-\ cyclopentadienyl)cobalt(II)]","","- C25 H32 Co4 Si -","- C25 H32 Co4 Si -","- C100 H128 Co16 Si4 -","4","1","PK2502","Haehnel, Martin; Spannenberg, Anke; Rosenthal, Uwe","(μ~3~-Hydrido)[μ~3~-2-(trimethylsilyl)ethylidyne-κ^3^<i>C</i>^1^:<i>C</i>^1^:<i>C</i>^1^]tetrakis[(η^5^-cyclopentadienyl)cobalt(II)]","Acta Crystallographica Section E","2013","69","12","m651","","10.1107/S1600536813030432","","","0.71073","MoKα","","0.0464","0.0284","","","0.0518","0.0576","","","","","","1.027","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238909","23.128","0.005","6.332","0.002","15.03","0.003","90","","103.22","0.02","90","","2142.8","0.9","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","phloroglucinol tribenzoate","Benzene-1,3,5-triyl tribenzoate","","- C27 H18 O6 -","- C27 H18 O6 -","- C108 H72 O24 -","4","1","PK2503","Corfield, Peter W. R.; Balija, Amy M.","Benzene-1,3,5-triyl tribenzoate","Acta Crystallographica Section E","2013","69","12","o1822","o1823","10.1107/S1600536813031462","","","0.7107","MoKα","","0.1164","0.0401","","","0.0913","0.1137","","","","","","1.026","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238910","21.0855","0.0003","14.0236","0.0002","10.0626","0.0001","90","","115.474","0.001","90","","2686.18","0.06","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","<i>N</i>-Benzyl-2-hydroxyethanaminium cyanurate","","- C12 H16 N4 O4 -","- C12 H16 N4 O4 -","- C96 H128 N32 O32 -","8","1","QK2061","Contreras-Espejel, Carlos Abraham; García-Eleno, Marco A.; Santacruz-Juárez, Ericka; Reyes-Martínez, Reyna; Morales-Morales, David","<i>N</i>-Benzyl-2-hydroxyethanaminium cyanurate","Acta Crystallographica Section E","2013","69","12","o1741","o1742","10.1107/S1600536813029383","","","0.71073","MoKα","","0.0658","0.0402","","","0.0953","0.1145","","","","","","1.023","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238911","10.237","0.003","10.356","0.003","10.936","0.003","117.075","0.004","93.113","0.004","110.463","0.004","935","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Di-μ-oxido-bis({2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}titanium(IV)) chloroform disolvate","","- C34 H34 Cl6 N4 O6 Ti2 -","- C34 H34 Cl6 N4 O6 Ti2 -","- C34 H34 Cl6 N4 O6 Ti2 -","1","0.5","QK2062","Zaitsev, Kirill V.; Karlov, Sergey S.; Piskun, Yulia A.; Vasilenko, Irina V.; Churakov, Andrei V.","Di-μ-oxido-bis({2,2'-[ethane-1,2-diylbis(nitrilomethanylylidene)]diphenolato}titanium(IV)) chloroform disolvate","Acta Crystallographica Section E","2013","69","12","m635","m636","10.1107/S1600536813029656","","","0.71073","MoKα","","0.0617","0.0405","","","0.0852","0.092","","","","","","1.03","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238912","6.19172","0.00017","15.4196","0.0004","14.6585","0.0004","90","","90.761","0.003","90","","1399.38","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,4-Dimethylphenyl quinoline-2-carboxylate","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","QM2101","Fazal, E.; Kaur, Manpreet; Sudha, B. S.; Nagarajan, S.; Jasinski, Jerry P.","3,4-Dimethylphenyl quinoline-2-carboxylate","Acta Crystallographica Section E","2013","69","12","o1853","o1854","10.1107/S1600536813032157","","","1.54184","CuKα","","0.0467","0.0419","","","0.1154","0.1205","","","","","","1.051","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238913","14.8695","0.0012","7.735","0.0006","15.2791","0.0013","90","","107.196","0.008","90","","1678.8","0.2","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Amino-6-(piperidin-1-yl)-4-<i>p</i>-tolylpyridine-3,5-dicarbonitrile","","- C19 H19 N5 -","- C19 H19 N5 -","- C76 H76 N20 -","4","1","RK2416","Inglebert, S. Antony; Kamalraja, Jayabal; Sethusankar, K.; Vasuki, Gnanasambandam","2-Amino-6-(piperidin-1-yl)-4-<i>p</i>-tolylpyridine-3,5-dicarbonitrile","Acta Crystallographica Section E","2013","69","12","o1807","","10.1107/S1600536813030845","","","0.71073","MoKα","","0.1573","0.0597","","","0.1284","0.1478","","","","","","0.768","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238914","10.3322","0.001","11.2231","0.0011","12.4813","0.0012","111.021","0.002","105.355","0.002","100.763","0.002","1237.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","Bis{μ~4~-<i>N</i>-[phenyl(pyridin-2-ylazanidyl)methyl]pyridin-2-aminido}tetrakis(tetrahydrofuran)tetralithium","","- C50 H60 Li4 N8 O4 -","- C50 H60 Li4 N8 O4 -","- C50 H60 Li4 N8 O4 -","1","0.5","RK2418","Chen, Juan","Bis{μ~4~-<i>N</i>-[phenyl(pyridin-2-ylazanidyl)methyl]pyridin-2-aminido}tetrakis(tetrahydrofuran)tetralithium","Acta Crystallographica Section E","2013","69","12","m683","","10.1107/S1600536813031838","","","0.71073","MoKα","","0.1281","0.0725","","","0.2108","0.2434","","","","","","0.925","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238915","13.831","0.003","15.28","0.003","14.363","0.003","90","","110.55","0.03","90","","2842.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Poly[[(μ~2~-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>')bis{μ~2~-<i>N</i>-[2-(2-hydroxybenzoyl)carbamothioyl]acetamidato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>S</i>}bis(nitrato-κ^2^<i>O</i>,<i>O</i>')dicadmium] dimethylformamide tetrasolvate]","","- C42 H56 Cd2 N14 O16 S2 -","- C42 H56 Cd2 N14 O16 S2 -","- C84 H112 Cd4 N28 O32 S4 -","2","0.5","RZ5087","You, Ming-Hua; Li, Fo-Jun; Yang, Xiao-Ping; Lin, Xu-Xiang; Ye, Hua-Yan","Poly[[(μ~2~-4,4'-bipyridyl-κ^2^<i>N</i>:<i>N</i>')bis{μ~2~-<i>N</i>-[2-(2-hydroxybenzoyl)carbamothioyl]acetamidato-κ^4^<i>O</i>,<i>N</i>,<i>O</i>':<i>S</i>}bis(nitrato-κ^2^<i>O</i>,<i>O</i>')dicadmium] dimethylformamide tetrasolvate]","Acta Crystallographica Section E","2013","69","12","m647","m648","10.1107/S1600536813030055","","","0.71073","MoKα","","0.0637","0.0599","","","0.1388","0.141","","","","","","1.276","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238916","17.837","0.002","9.163","0.004","10.552","0.003","90","","90","","90","","1724.6","0.9","298","","298","","","","","","","","","7","P m m a","-P 2a 2a","51","","Bis(4-aminopyridinium) μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxido[rhenium(VII)tetratungsten(VI)vanadium(V)]ate heptahydrate","","- C10 H28 N4 O26 Re V W4 -","- C10 H28 N4 O26 Re V W4 -","- C20 H56 N8 O52 Re2 V2 W8 -","2","0.25","RZ5088","Maaloui, Ahlem; Toumi, Samah Akriche; Rzaigui, Mohamed","Bis(4-aminopyridinium) μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxido[rhenium(VII)tetratungsten(VI)vanadium(V)]ate heptahydrate","Acta Crystallographica Section E","2013","69","12","m661","m662","10.1107/S1600536813030687","","","0.56087","AgKα","","0.1631","0.0691","","","0.1544","0.1924","","","","","","1.025","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238917","7.6891","0.0001","10.8642","0.0001","11.9867","0.0001","93.349","0.001","108.509","0.001","109.387","0.001","880.541","0.019","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(3-azaniumylpropyl)azanium hexachloridobismuthate(III) monohydrate","","- C6 H22 Bi Cl6 N3 O -","- C6 H22 Bi Cl6 N3 O -","- C12 H44 Bi2 Cl12 N6 O2 -","2","1","RZ5091","Elfaleh, Nizar; Chouaib, Hassen; Kamoun, Slaheddine","Bis(3-azaniumylpropyl)azanium hexachloridobismuthate(III) monohydrate","Acta Crystallographica Section E","2013","69","12","m666","","10.1107/S1600536813030900","","","0.71073","MoKα","","0.0338","0.0212","","","0.0511","0.0567","","","","","","0.92","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238918","13.401","0.003","7.4825","0.0019","15.068","0.004","90","","98.986","0.004","90","","1492.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 6-methyl-8-phenyl-1,2,4-triazolo[1,5-<i>a</i>]pyridine-7-carboxylate","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","1","RZ5092","Li, Yang; Sun, Chen; Zhang, Ran","Ethyl 6-methyl-8-phenyl-1,2,4-triazolo[1,5-<i>a</i>]pyridine-7-carboxylate","Acta Crystallographica Section E","2013","69","12","o1812","","10.1107/S1600536813031152","","","0.71073","MoKα","","0.0656","0.0489","","","0.1341","0.1517","","","","","","1.049","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238919","15.007","0.002","10.3322","0.0008","16.019","0.002","90","","117.399","0.013","90","","2205.2","0.5","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","(<i>S</i>)-(+)-<i>cis</i>-4'-Benzyloxypraziquantel","(<i>S</i>)-(+)-2-[<i>cis</i>-4-(Benzyloxy)cyclohexanecarbonyl]-1,2,3,6,7,11b-hexahydro-4<i>H</i>-pyrazino[2,1-<i>a</i>]isoquinolin-4-one","","- C26 H30 N2 O3 -","- C26 H30 N2 O3 -","- C104 H120 N8 O12 -","4","2","RZ5093","Cedillo-Cruz, Alberto; Aguilar, María Isabel; Jung-Cook, Helgi","(<i>S</i>)-(+)-<i>cis</i>-4'-Benzyloxypraziquantel","Acta Crystallographica Section E","2013","69","12","o1835","o1836","10.1107/S1600536813031735","","","1.54184","CuKα","","0.0913","0.0521","","","0.1103","0.1373","","","","","","1.029","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238920","12.7882","0.0007","13.7906","0.0006","16.0636","0.0007","90","","90","","90","","2832.9","0.2","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>S</i>)-4,5-Diphenyl-1-[1-phenyl-3-(phenylsulfanyl)propan-2-yl]-2-(thiophen-2-yl)-1<i>H</i>-imidazole","","- C34 H28 N2 S2 -","- C34 H28 N2 S2 -","- C136 H112 N8 S8 -","4","1","RZ5094","Gao, Jie; Wang, Hongyan; Yang, Liangru; Xiao, Yongmei; Mao, Pu","(<i>S</i>)-4,5-Diphenyl-1-[1-phenyl-3-(phenylsulfanyl)propan-2-yl]-2-(thiophen-2-yl)-1<i>H</i>-imidazole","Acta Crystallographica Section E","2013","69","12","o1858","","10.1107/S1600536813032066","","","1.5418","CuKα","","0.0514","0.0448","","","0.1197","0.1267","","","","","","1.027","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238921","20.266","0.004","4.6925","0.0001","15.7807","0.0011","90","","108.941","0.018","90","","1419.5","0.3","123","0.18","123","0.18","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Octylindoline-2,3-dione","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","RZ5095","Qachchachi, Fatima-Zahrae; Kandri Rodi, Youssef; Essassi, El Mokhtar; Kunz, Werner; El Ammari, Lahcen","1-Octylindoline-2,3-dione","Acta Crystallographica Section E","2013","69","12","o1801","","10.1107/S1600536813031383","","","1.5418","CuKα","","0.064","0.0568","","","0.1607","0.1673","","","","","","1.18","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238922","9.8073","0.0002","8.2784","0.0001","10.7741","0.0002","90","","95.015","0.001","90","","871.39","0.03","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","13-(Imidazol-1-yl)-11,13-dihydromelampomagnolide B monohydrate","(1a<i>R</i>,7a<i>S</i>,8<i>R</i>,10a<i>S</i>,10b<i>S</i>,<i>E</i>)-5-Hydroxymethyl-8-[(1<i>H</i>-imidazol-1-yl)methyl]-1a-methyl-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-9(1a<i>H</i>)-one monohydrate","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C36 H52 N4 O10 -","2","1","SJ5362","Janganati, Venumadhav; Penthala, Narsimha Reddy; Parkin, Sean; Crooks, Peter A.","13-(Imidazol-1-yl)-11,13-dihydromelampomagnolide B monohydrate","Acta Crystallographica Section E","2013","69","12","o1734","o1735","10.1107/S1600536813029188","","","1.54178","CuKα","","0.0238","0.0237","","","0.061","0.0612","","","","","","1.043","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238923","8.386","0.0006","11.861","0.0009","12.1102","0.0009","110.481","0.007","108.093","0.007","92.329","0.006","1057.43","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Raltegravir monohydrate","<i>N</i>-(4-fluorobenzyl)-5-hydroxy-1-methyl-2-{1-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-ylcarbonyl)amino]ethyl}-6-oxo-1,6-dihydropyrimidine-4-carboxamide monohydrate","","- C20 H23 F N6 O6 -","- C20 H23 F N6 O6 -","- C40 H46 F2 N12 O12 -","2","1","SJ5363","Yamuna, Thammarse S.; Jasinski, Jerry P.; Anderson, Brian J.; Yathirajan, H. S.; Kaur, Manpreet","Raltegravir monohydrate","Acta Crystallographica Section E","2013","69","12","o1743","o1744","10.1107/S1600536813029747","","","0.71073","MoKα","","0.0932","0.0674","","","0.1824","0.206","","","","","","1.028","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238924","9.1329","0.0002","10.5227","0.0002","16.7194","0.0003","90","","90","","90","","1606.78","0.05","90","0.2","90","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","13-(<i>N</i>,<i>N</i>-Dimethylamino)micheliolide 0.08-hydrate","(3<i>R</i>,3a<i>S</i>,9<i>R</i>,9a<i>S</i>,9b<i>S</i>)-3-[(Dimethylamino)methyl]-9-hydroxy-6,9-dimethyl-3,3a,4,5,7,8,9,9a-octahydroazuleno[4,5-<i>b</i>]furan-2(9b<i>H</i>)-one 0.08-hydrate","","- C17 H27.16 N O3.08 -","- C17 H27.156 N O3.078 -","- C68 H108.624 N4 O12.312 -","4","1","SJ5365","Bommagani, Shobanbabu; Penthala, Narsimha Reddy; Janganati, Venumadhav; Parkin, Sean; Crooks, Peter A.","13-(<i>N</i>,<i>N</i>-Dimethylamino)micheliolide 0.08-hydrate","Acta Crystallographica Section E","2013","69","12","o1789","o1790","10.1107/S1600536813030304","","","1.54178","CuKα","","0.0254","0.0252","","","0.0665","0.0666","","","","","","1.071","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238925","9.4373","0.0014","17.992","0.003","19.966","0.003","90","","103.276","0.003","90","","3299.5","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrachlorido[<i>N</i>^2^,<i>N</i>^2'^-(dimethylsilanediyl)bis(<i>N</i>-<i>tert</i>-butyl-3-methylbenzimidamide)-κ^2^<i>N</i>^2^,<i>N</i>^2'^]hafnium(IV)","","- C26 H40 Cl4 Hf N4 Si -","- C26 H40 Cl4 Hf N4 Si -","- C104 H160 Cl16 Hf4 N16 Si4 -","4","0.5","SJ5366","Wang, Tao; Zhao, Jian-Ping; Bai, Sheng-Di","Tetrachlorido[<i>N</i>^2^,<i>N</i>^2'^-(dimethylsilanediyl)bis(<i>N</i>-<i>tert</i>-butyl-3-methylbenzimidamidato)-κ^2^<i>N</i>^2^,<i>N</i>^2'^]hafnium(IV)","Acta Crystallographica Section E","2013","69","12","m654","","10.1107/S1600536813030328","","","0.71073","MoKα","","0.0384","0.0283","","","0.057","0.0606","","","","","","1.02","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238926","10.9448","0.0012","18.96","0.002","7.4738","0.0008","90","","94.743","0.002","90","","1545.6","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-(4-Aminophenyl)-2-methoxy-4-phenylnicotinonitrile","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","SJ5368","Suwunwong, Thitipone; Chantrapromma, Suchada; Quah, Ching Kheng; Fun, Hoong-Kun","6-(4-Aminophenyl)-2-methoxy-4-phenylnicotinonitrile","Acta Crystallographica Section E","2013","69","12","o1816","o1817","10.1107/S1600536813031437","","","0.71073","MoKα","","0.0676","0.0457","","","0.1274","0.1425","","","","","","1.066","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238927","9.8201","0.0013","10.3315","0.0014","12.4914","0.0017","99.898","0.002","111.134","0.002","107.042","0.002","1074","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","2-[(<i>E</i>)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate monohydrate","","- C21 H22 Br N O6 S -","- C21 H22 Br N O6 S -","- C42 H44 Br2 N2 O12 S2 -","2","1","SJ5370","Chantrapromma, Suchada; Boonnak, Nawong; Jindawong, Boonwasana; Fun, Hoong-Kun","2-[(<i>E</i>)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1-methylpyridinium 4-bromobenzenesulfonate monohydrate","Acta Crystallographica Section E","2013","69","12","o1851","o1852","10.1107/S1600536813031917","","","0.71073","MoKα","","0.055","0.0435","","","0.105","0.1127","","","","","","1.05","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238928","16.177","0.0004","20.984","0.0005","16.673","0.0004","90","","96.654","0.002","90","","5621.7","0.2","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","Bis(2,2'-bipyridine)[1,9-bis(diphenylphosphanyl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-<i>a</i>]pyrimidin-5-ium]ruthenium(II) hexafluoridophosphate dibromide dichloromethane disolvate monohydrate","","- C53 H54 Br2 Cl4 F6 N7 O P3 Ru -","- C53 H54 Br2 Cl4 F6 N7 O P3 Ru -","- C212 H216 Br8 Cl16 F24 N28 O4 P12 Ru4 -","4","1","SU2644","Shang, Congcong; Vendier, Laure; Sutra, Pierre; Igau, Alain","Bis(2,2'-bipyridine)[1,9-bis(diphenylphosphanyl)-1,2,3,4,6,7,8,9-octahydropyrimido[1,2-<i>a</i>]pyrimidin-5-ium]ruthenium(II) hexafluoridophosphate dibromide dichloromethane disolvate monohydrate","Acta Crystallographica Section E","2013","69","12","m640","m641","10.1107/S1600536813029462","","","0.71073","MoKα","","0.0876","0.0546","","","0.1152","0.1309","","","","","","1.041","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238929","11.4484","0.0019","9.0914","0.0015","13.23","0.002","90","","90","","90","","1377","0.4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-Bromo-3-hydroxy-6-methylpyridine","","- C6 H6 Br N O -","- C6 H6 Br N O -","- C48 H48 Br8 N8 O8 -","8","1","SU2659","Singh, Govind Pratap; Rajesh Goud, N.; Jeevan Kumar, P.; Sundaresan, C. N.; Nageswara Rao, G.","2-Bromo-3-hydroxy-6-methylpyridine","Acta Crystallographica Section E","2013","69","12","o1729","","10.1107/S1600536813029498","","","0.71073","MoKα","","0.0328","0.0245","","","0.0611","0.0659","","","","","","1.063","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238930","15.7317","0.0007","7.2634","0.0012","28.8121","0.0003","90","","90","","90","","3292.2","0.6","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-Acetyl-4-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one‒tris(hydroxymethyl)ammonium chloride (2/1)","","- C29 H38 Cl N5 O9 -","- C29 H38 Cl N5 O9 -","- C116 H152 Cl4 N20 O36 -","4","1","SU2662","Huq, C. A. M. A.; Fouzia, S.; NizamMohideen, M.","5-Acetyl-4-(3-hydroxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one‒tris(hydroxymethyl)ammonium chloride (2/1)","Acta Crystallographica Section E","2013","69","12","o1766","o1767","10.1107/S1600536813030559","","","0.71073","MoKα","","0.0636","0.0467","","","0.1399","0.1573","","","","","","0.883","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238931","9.6841","0.0002","9.703","0.0002","10.8456","0.0003","67.516","0.001","74.957","0.001","86.249","0.001","908.72","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-2-[2-(4-Carboxyphenyl)ethenyl]-8-hydroxyquinolin-1-ium chloride ethanol monosolvate","","- C20 H20 Cl N O4 -","- C20 H20 Cl N O4 -","- C40 H40 Cl2 N2 O8 -","2","1","SU2663","Schulze, Mathias M.; Seichter, Wilhelm; Weber, Edwin","(<i>E</i>)-2-[2-(4-Carboxyphenyl)ethenyl]-8-hydroxyquinolin-1-ium chloride ethanol monosolvate","Acta Crystallographica Section E","2013","69","12","o1773","o1774","10.1107/S1600536813030274","","","0.71073","MoKα","","0.0638","0.0478","","","0.1384","0.1469","","","","","","1.104","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238932","7.473","0.002","11.977","0.004","9.661","0.003","90","","91.01","0.02","90","","864.6","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Methyl <i>N</i>-(3-cyanopicolinoyl)-<i>L</i>-tryptophanate","","- C19 H16 N4 O3 -","- C19 H16 N4 O3 -","- C38 H32 N8 O6 -","2","1","SU2666","Ovdiichuk, Olga; Hordiyenko, Olga; Voitenko, Zoia; Arrault, Axelle; Medviediev, Volodymyr","Methyl <i>N</i>-(3-cyanopicolinoyl)-<small>L</small>-tryptophanate","Acta Crystallographica Section E","2013","69","12","o1810","","10.1107/S160053681303153X","","","0.7107","MoKα","","0.108","0.0505","","","0.1068","0.1328","","","","","","0.925","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238933","9.2035","0.0002","13.4629","0.0002","22.9607","0.0005","90","","90","","90","","2844.96","0.1","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1<i>S</i>,5<i>S</i>,7<i>R</i>)-3-Benzoyl-4-hydroxy-8,8-dimethyl-1,5,7-tris(3-methylbut-2-enyl)bicyclo[3.3.1]nona-3-ene-2,9-dione","","- C33 H42 O4 -","- C33 H42 O4 -","- C132 H168 O16 -","4","1","TK5270","Vaneesa Nagalingam, Sree; Wong Pik Ching, Janet; Khaled bin Break, Mohammed; Tahir, M. Ibrahim M.; Khoo, Teng-Jin","A <i>P</i>2~1~2~1~2~1~ polymorph of (+)-clusianone","Acta Crystallographica Section E","2013","69","12","o1799","o1800","10.1107/S1600536813031036","","","1.5418","CuKα","","0.0352","0.0335","","0.0838","0.0824","0.0838","","","","","","0.9567","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238934","8.4658","0.0003","8.6643","0.0003","16.1126","0.0006","84.196","0.002","87.768","0.003","79.541","0.002","1156.01","0.07","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","(<i>E</i>)-1-[2-(4-Chloro-2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]propan-1-one","","- C25 H19 Cl N2 O5 S -","- C25 H19 Cl N2 O5 S -","- C50 H38 Cl2 N4 O10 S2 -","2","1","TK5271","Umadevi, M.; Saravanan, V.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.","(<i>E</i>)-1-[2-(4-Chloro-2-nitrostyryl)-1-phenylsulfonyl-1<i>H</i>-indol-3-yl]propan-1-one","Acta Crystallographica Section E","2013","69","12","o1784","","10.1107/S1600536813031073","","","0.71073","MoKα","","0.0728","0.0499","","","0.1327","0.1496","","","","","","1.03","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238935","10.8409","0.0005","10.0152","0.0007","13.9777","0.0007","90","","99.246","0.003","90","","1497.89","0.15","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,4,6-trinitrophenyl 4-bromobenzoate","2,4,6-Trinitrophenyl 4-bromobenzoate","","- C13 H6 Br N3 O8 -","- C13 H6 Br N3 O8 -","- C52 H24 Br4 N12 O32 -","4","1","TK5272","Moreno-Fuquen, Rodolfo","2,4,6-Trinitrophenyl 4-bromobenzoate","Acta Crystallographica Section E","2013","69","12","o1787","","10.1107/S1600536813031061","","","0.71073","MoKα","","0.0829","0.0461","","","0.1128","0.1339","","","","","","1.02","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238936","5.4371","0.0001","9.8496","0.0003","10.2564","0.0003","96.445","0.001","91.232","0.001","91.328","0.001","545.49","0.03","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Poly[[octaaqua-μ~4~-(benzene-1,2,4,5-tetracarboxylato)-dicobalt(II)] octahydrate]","","- C10 H34 Co2 O24 -","- C10 H18 Co2 O24 -","- C10 H18 Co2 O24 -","1","0.5","VN2077","Camara, Magatte; Tine, Modou; Daiguebonne, Carole; Guillou, Olivier; Roisnel, Thierry","Poly[[octaaqua-μ~4~-(benzene-1,2,4,5-tetracarboxylato)-dicobalt(II)] octahydrate]","Acta Crystallographica Section E","2013","69","12","m680","m681","10.1107/S1600536813031577","","","0.71073","MoKα","","0.0567","0.048","","","0.142","0.1529","","","","","","0.967","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238937","10.8704","0.0006","12.8983","0.001","8.3362","0.0005","90","","106.503","0.003","90","","1120.67","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis 1,3-phenylendiamine dithiocyanato-cadmiate(II)","Poly[bis(μ~2~-1,3-phenylenediamine-κ^2^<i>N</i>:<i>N</i>')di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-cadmium]","","- C8 H8 Cd N4 S2 -","- C8 H8 Cd N4 S2 -","- C32 H32 Cd4 N16 S8 -","4","0.5","VN2078","Chemli, Rakia; Kamoun, Slaheddine; Roisnel, Thierry","Poly[bis(μ~2~-1,3-phenylenediamine-κ^2^<i>N</i>:<i>N</i>')di-μ-thiocyanato-κ^2^<i>N</i>:<i>S</i>;κ^2^<i>S</i>:<i>N</i>-cadmium]","Acta Crystallographica Section E","2013","69","12","m670","m671","10.1107/S1600536813031255","","","0.71073","MoKα","","0.039","0.0338","","","0.0625","0.0641","","","","","","1.026","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238938","7.1089","0.0001","7.1089","0.0001","25.616","0.0004","90","","90","","90","","1294.54","0.03","296","2","296","2","","","","","","","","3","P 43","P 4cw","78","Sr2As2O7","Strontium diarsenate","","- As2 O7 Sr2 -","- As2 O7 Sr2 -","- As16 O56 Sr16 -","8","2","WM2770","Mbarek, Aicha; Edhokkar, Fadhila","The <i>P</i>4~3~ enantiomorph of Sr~2~As~2~O~7~","Acta Crystallographica Section E","2013","69","12","i84","","10.1107/S1600536813031619","","","0.71073","MoKα","","0.0254","0.0218","","","0.0427","0.0437","","","","","","1.014","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238939","7.9488","0.0004","15.1248","0.0008","4.4661","0.0002","90","","90","","90","","536.93","0.05","100","2","100","2","","","","","","","","2","P b a m","-P 2 2ab","55","Lithium Silicide","Tridecalithium tetrasilicide","","- Li13 Si4 -","- Li13 Si4 -","- Li26 Si8 -","2","0.25","WM2778","Zeilinger, Michael; Fässler, Thomas F.","Revision of the Li~13~Si~4~ structure","Acta Crystallographica Section E","2013","69","12","i81","i82","10.1107/S1600536813029759","","","0.71073","MoKα","","0.0155","0.0148","","","0.0433","0.0437","","","","","","1.079","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238940","8.4854","0.0004","12.5107","0.0006","18.9003","0.001","89.024","0.002","87.75","0.002","72.206","0.003","1908.94","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","<i>N</i>^1^-(Thiophen-2-ylmethyl)-<i>N</i>^3^,<i>N</i>^3^-bis[3-(thiophen-2-ylmethylammonio)propyl]propane-1,3-diammonium hexafluoridosilicate methanol trisolvate","","- C27 H52 F12 N4 O3 S3 Si2 -","- C27 H52 F12 N4 O3 S3 Si2 -","- C54 H104 F24 N8 O6 S6 Si4 -","2","1","WM2779","Haque, Syed A.; Cooper, Dominique N.; Powell, Douglas R.; Venkatraman, Ramaiyer; Hossain, Md. Alamgir","<i>N</i>^1^-(Thiophen-2-ylmethyl)-<i>N</i>^3^,<i>N</i>^3^-bis[3-(thiophen-2-ylmethylammonio)propyl]propane-1,3-diammonium hexafluoridosilicate methanol trisolvate","Acta Crystallographica Section E","2013","69","12","o1739","o1740","10.1107/S1600536813029565","","","0.71073","MoKα","","0.0552","0.044","","","0.1166","0.1246","","","","","","1.002","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238941","17.0606","0.0012","4.9834","0.0003","13.9283","0.001","90","","98.127","0.006","90","","1172.29","0.14","200","1","200","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","caesium 2,3,6-trichlorophenylacetate monohydrate","Poly[μ-aqua-μ~5~-[2-(2,3,6-trichlorophenyl)acetato]-caesium]","","- C8 H6 Cl3 Cs O3 -","- C8 H6 Cl3 Cs O3 -","- C32 H24 Cl12 Cs4 O12 -","4","1","WM2781","Smith, Graham","Poly[μ-aqua-μ~5~-[2-(2,3,6-trichlorophenyl)acetato]-caesium]","Acta Crystallographica Section E","2013","69","12","m628","","10.1107/S1600536813029395","","","0.71073","MoKα","","0.0629","0.0495","","","0.1029","0.1113","","","","","","1.089","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238942","5.414","0.0006","18.172","0.002","12.9392","0.0015","90","","92.388","0.006","90","","1271.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","6-Chloro-<i>N</i>-(pyridin-4-ylmethyl)pyridine-3-sulfonamide","","- C11 H10 Cl N3 O2 S -","- C11 H10 Cl N3 O2 S -","- C44 H40 Cl4 N12 O8 S4 -","4","1","WM2782","Suchetan, Parameshwar Adimoole; Mohan, Revanasiddappa Nadigar; Vijithkumar; Palakshamurthy, Bandrehalli Siddagangaiah; Sreenivasa, Swamy","6-Chloro-<i>N</i>-(pyridin-4-ylmethyl)pyridine-3-sulfonamide","Acta Crystallographica Section E","2013","69","12","o1765","","10.1107/S1600536813030523","","","0.71073","MoKα","","0.0628","0.0442","","","0.1257","0.1373","","","","","","0.824","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238943","9.3031","0.0014","5.8892","0.0008","9.762","0.0012","90","","96.111","0.011","90","","531.8","0.13","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Hexaaquanickel(II) dihydrogen hypodiphosphate","","- H14 Ni O12 P2 -","- H14 Ni O12 P2 -","- H28 Ni2 O24 P4 -","2","0.5","WM2784","Gjikaj, Mimoza; Wu, Peng; Pook, Niels-Patrick","Hexaaquanickel(II) dihydrogen hypodiphosphate","Acta Crystallographica Section E","2013","69","12","i83","","10.1107/S1600536813030717","","","0.71073","MoKα","","0.0304","0.0291","","","0.0732","0.0742","","","","","","1.157","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238944","8.2261","0.0009","17.1054","0.0015","16.5895","0.0018","90","","95.52","0.009","90","","2323.5","0.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","μ-Hexathiometadiphosphato-bis[(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)rubidium] acetonitrile disolvate","","- C28 H54 N2 O12 P2 Rb2 S6 -","- C28 H54 N2 O12 P2 Rb2 S6 -","- C56 H108 N4 O24 P4 Rb4 S12 -","2","0.5","WM2785","Gjikaj, Mimoza; Pook, Niels-Patrick; Qarri, Flora","μ-Hexathiometadiphosphato-bis[(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)rubidium] acetonitrile disolvate","Acta Crystallographica Section E","2013","69","12","m689","","10.1107/S1600536813032121","","","0.71073","MoKα","","0.0693","0.0469","","","0.0696","0.0742","","","","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238945","10.5719","0.0005","10.8783","0.0006","23.8868","0.0011","90","","93.507","0.002","90","","2741.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-{4-Methyl-<i>N</i>-[(2,3,4,9-tetrahydro-1<i>H</i>-carbazol-3-yl)methyl]benzenesulfonamido}ethyl 4-methylbenzenesulfonate","","- C29 H32 N2 O5 S2 -","- C29 H32 N2 O5 S2 -","- C116 H128 N8 O20 S8 -","4","1","XU5750","Göçmentürk, Mustafa; Ergün, Yavuz; Mougang-Soume, Berline; Çaylak Delibaş, Nagihan; Hökelek, Tuncer","2-{4-Methyl-<i>N</i>-[(2,3,4,9-tetrahydro-1<i>H</i>-carbazol-3-yl)methyl]benzenesulfonamido}ethyl 4-methylbenzenesulfonate","Acta Crystallographica Section E","2013","69","12","o1797","o1798","10.1107/S1600536813031097","","","1.54178","CuKα","","0.0427","0.042","","","0.1154","0.1162","","","","","","1.052","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238946","6.4406","0.0002","15.458","0.0005","8.0789","0.0002","90","","97.143","0.002","90","","798.08","0.04","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis[μ-<i>N</i>-(pyridin-2-yl)methanesulfonamido-κ^2^<i>N</i>:<i>N</i>']silver(I)","","- C12 H14 Ag2 N4 O4 S2 -","- C12 H14 Ag2 N4 O4 S2 -","- C24 H28 Ag4 N8 O8 S4 -","2","0.5","XU5753","Hu, Hui-Ling; Yeh, Chun-Wei","Bis[μ-<i>N</i>-(pyridin-2-yl)methanesulfonamido-κ^2^<i>N</i>:<i>N</i>']silver(I)","Acta Crystallographica Section E","2013","69","12","m682","","10.1107/S1600536813031814","","","0.71073","MoKα","","0.0525","0.0359","","","0.084","0.0918","","","","","","1.045","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238947","9.701","0.0006","17.4114","0.0013","15.002","0.001","90","","104.126","0.004","90","","2457.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>N</i>'-[(<i>E</i>)-2-Fluorobenzylidene]benzohydrazide","","- C14 H11 F N2 O -","- C14 H11 F N2 O -","- C112 H88 F8 N16 O8 -","8","2","YK2100","Sreeja, P. B.; Sithambaresan, M.; Aiswarya, N.; Kurup, M. R. Prathapachandra","<i>N</i>'-[(<i>E</i>)-2-Fluorobenzylidene]benzohydrazide","Acta Crystallographica Section E","2013","69","12","o1828","","10.1107/S1600536813031747","","","0.71073","MoKα","","0.1016","0.0503","","","0.1315","0.1649","","","","","","1.002","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238948","12.187","0.002","12.98","0.002","13.437","0.002","90","","90","","90","","2125.6","0.6","293","2","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquabis(piperazin-1-ium)cobalt(II) bis(sulfate) dihydrate","","- C8 H34 Co N4 O14 S2 -","- C8 H34 Co N4 O14 S2 -","- C32 H136 Co4 N16 O56 S8 -","4","0.5","ZL2569","Sahbani, Thameur; Smirani Sta, Wajda; Rzaigui, Mohamed","Tetraaquabis(piperazin-1-ium)cobalt(II) bis(sulfate) dihydrate","Acta Crystallographica Section E","2013","69","12","m649","m650","10.1107/S1600536813030365","","","0.56085","AgKα","","0.099","0.045","","","0.093","0.1075","","","","","","1.037","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238949","20.1934","0.0002","12.7424","0.0001","15.9008","0.0001","90","","100.038","0.001","90","","4028.84","0.06","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Di-μ-oxido-bis[bis(diisopropylacetamidinato)-κ<i>N</i>;κ^2^<i>N</i>,<i>N</i>'-germanium(IV)]","","- C32 H68 Ge2 N8 O2 -","- C32 H68 Ge2 N8 O2 -","- C128 H272 Ge8 N32 O8 -","4","0.5","ZL2570","Syre, Ronny; Frenzel, Nancy; Hrib, Cristian G.; Burte, Edmund P.; Jones, Peter G.; Edelmann, Frank T.","Di-μ-oxido-bis[bis(diisopropylacetamidinato)-κ<i>N</i>;κ^2^<i>N</i>,<i>N</i>'-germanium(IV)]","Acta Crystallographica Section E","2013","69","12","m686","m687","10.1107/S1600536813032133","","","1.54184","CuKα","","0.0209","0.0202","","","0.0558","0.0565","","","","","","1.079","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238950","13.3019","0.0004","15.7762","0.0005","7.4265","0.0002","90","","93.719","0.002","90","","1555.19","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Bromobenzene-1,3-dicarbonitrile","","- C8 H3 Br N2 -","- C8 H3 Br N2 -","- C64 H24 Br8 N16 -","8","2","ZP2009","Seidel, Nadine; Seichter, Wilhelm; Weber, Edwin","5-Bromobenzene-1,3-dicarbonitrile","Acta Crystallographica Section E","2013","69","12","o1732","o1733","10.1107/S1600536813028857","","","0.71073","MoKα","","0.0433","0.0308","","","0.0718","0.0783","","","","","","1.047","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238951","8.8949","0.0018","9.0003","0.0018","25.58","0.005","90","","96.75","0.03","90","","2033.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-[6-(4-methylbenzoyl)-7-phenyl-2,3-dihydro-1<i>H</i>-pyrrolizin-5-yl]-2-oxoacetate","","- C25 H23 N O4 -","- C25 H23 N O4 -","- C100 H92 N4 O16 -","4","1","ZP2010","Zhong, Jia-liang; Sun, Wen-xia; Zhang, Fu-li; Liu, Li-hong; Liu, He","Ethyl 2-[6-(4-methylbenzoyl)-7-phenyl-2,3-dihydro-1<i>H</i>-pyrrolizin-5-yl]-2-oxoacetate","Acta Crystallographica Section E","2013","69","12","o1730","","10.1107/S1600536813029401","","","0.71073","MoKα","","0.1282","0.0617","","","0.1578","0.1936","","","","","","0.965","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238952","11.5314","0.0016","8.7905","0.0011","9.3363","0.0013","90","","97.339","0.014","90","","938.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Ethoxy-3-methoxybenzaldehyde","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","ZQ2209","Leka, Zorica; Novaković, Sladjana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vukićević, Rastko D.","4-Ethoxy-3-methoxybenzaldehyde","Acta Crystallographica Section E","2013","69","12","o1728","","10.1107/S160053681302761X","","","1.5418","CuKα","","0.0659","0.0468","","","0.1284","0.1475","","","","","","1.036","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238953","13.6601","0.0007","8.5782","0.0005","15.2373","0.0008","90","","97.684","0.003","90","","1769.46","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(3a<i>R</i>,8b<i>R</i>)-3a,8b-Dihydroxy-1-(4-methoxyphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-<i>b</i>]pyrrol-4(3a<i>H</i>)-one","","- C19 H16 N2 O6 S -","- C19 H16 N2 O6 S -","- C76 H64 N8 O24 S4 -","4","1","ZQ2211","Nagalakshmi, R. A.; Suresh, J.; Jeyachandran, V.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha","(3a<i>R</i>,8b<i>R</i>)-3a,8b-Dihydroxy-1-(4-methoxyphenyl)-2-methylsulfanyl-3-nitro-1,8b-dihydroindeno[1,2-<i>b</i>]pyrrol-4(3a<i>H</i>)-one","Acta Crystallographica Section E","2013","69","12","o1849","o1850","10.1107/S1600536813031279","","","0.71073","MoKα","","0.0649","0.0526","","","0.144","0.1553","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2238954","7.4317","0.0015","8.0137","0.0016","10.083","0.002","92.09","0.03","93.81","0.03","101.09","0.03","587.2","0.2","292","2","292","2","","","","","","","","5","P -1","-P 1","2","","2-[(Ferrocen-1-yl)(hydroxy)methyl]prop-2-enenitrile","","- C14 H13 Fe N O -","- C14 H13 Fe N O -","- C28 H26 Fe2 N2 O2 -","2","1","ZQ2212","Selvanayagam, S.; Ravikumar, K.; Kathiravan, S.; Raghunathan, R.","2-[(Ferrocen-1-yl)(hydroxy)methyl]prop-2-enenitrile","Acta Crystallographica Section E","2013","69","12","m669","","10.1107/S1600536813031218","","","0.71073","MoKα","","0.0439","0.0413","","","0.1096","0.1119","","","","","","1.061","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2238955","10.4817","0.0004","13.4904","0.0005","15.1639","0.0005","90","","90","","90","","2144.21","0.13","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4'-Acetyloxy-1,3,1'-trioxo-1,3,4,4a,4b,5,6,7,9,9a-decahydrospiro[indene-2,9'-pyrano[4,3-<i>a</i>]pyrrolizin]-3'-yl)methyl acetate","","- C23 H23 N O8 -","- C23 H23 N O8 -","- C92 H92 N4 O32 -","4","1","ZS2277","Latha, N.; Naga Siva Rao, J.; Raghunathan, R.; Divya, G.; Lakshmi, S.","(4'-Acetyloxy-1,3,1'-trioxo-1,3,4,4a,4b,5,6,7,9,9a-decahydrospiro[indene-2,9'-pyrano[4,3-<i>a</i>]pyrrolizin]-3'-yl)methyl acetate","Acta Crystallographica Section E","2013","69","12","o1764","","10.1107/S1600536813029826","","","0.71073","MoKα","","0.0757","0.0517","","","0.1311","0.1463","","","","","","1.033","","","","has coordinates","176798","2020-10-21","18:00:00",""
"2238956","12.4854","0.0006","11.3906","0.0005","28.365","0.002","90","","90","","90","","4034","0.4","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","[<i>meso</i>-5,10,15,20-Tetrakis(3-methylthiophen-2-yl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) benzene hemisolvate","","- C43 H31 N4 Ni S4 -","- C43 H31 N4 Ni S4 -","- C172 H124 N16 Ni4 S16 -","4","1","ZS2280","Prasath, R.; Bhavana, P.; Gupta, Sushil K.; Butcher, Ray J.","[<i>meso</i>-5,10,15,20-Tetrakis(3-methylthiophen-2-yl)porphyrinato-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']nickel(II) benzene hemisolvate","Acta Crystallographica Section E","2013","69","12","m652","m653","10.1107/S1600536813030468","","","0.71069","MoKα","","0.1664","0.0766","","","0.1842","0.24","","","","","","0.985","","","","has coordinates,has disorder","176798","2020-10-21","18:00:00",""
"2240715","10.3754","0.0017","32.519","0.005","5.0615","0.0008","90","","90","","90","","1707.7","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","<i>N</i>'-[(<i>E</i>)-Benzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","SJ5356","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; El-Remaily, Mahmoud A. A.; Albayati, Mustafa R.","<i>N</i>'-[(<i>E</i>)-Benzylidene]-2-(6-methoxynaphthalen-2-yl)propanohydrazide","Acta Crystallographica Section E","2013","69","11","o1614","","10.1107/S1600536813026986","","","0.71073","MoKα","","0.0567","0.0516","","","0.1255","0.1284","","","","","","1.099","","","","has coordinates,has Fobs","136874","2020-10-21","18:00:00",""
"2240718","4.7741","0.0013","15.198","0.004","17.274","0.005","90","","95.275","0.012","90","","1248","0.6","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4-Hydroxy-3,5-dimethylphenyl)(phenyl)methanone","","- C15 H14 O2 -","- C15 H14 O2 -","- C60 H56 O8 -","4","1","ZS2279","Dileep, C. S.; Prashanth, T.; Jeyaseelan, S.; Khanum, S. A.; Sridhar, M. A.","(4-Hydroxy-3,5-dimethylphenyl)(phenyl)methanone","Acta Crystallographica Section E","2013","69","11","o1676","","10.1107/S1600536813028444","","","0.71073","MoKα","","0.0537","0.0408","","","0.1253","0.1403","","","","","","1.02","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"2240733","8.7195","0.0017","9.9454","0.0019","23.389","0.004","90","","90","","90","","2028.3","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3,4-Difluorophenyl)-1<i>H</i>-benzimidazole","","- C13 H8 F2 N2 -","- C13 H8 F2 N2 -","- C104 H64 F16 N16 -","8","1","LH5659","Krishnamurthy, M. S.; Fathima, Nikhath; Nagarajaiah, H.; Begum, Noor Shahina","2-(3,4-Difluorophenyl)-1<i>H</i>-benzimidazole","Acta Crystallographica Section E","2013","69","11","o1689","","10.1107/S1600536813028559","","","0.71073","MoKα","","0.095","0.0593","","","0.1422","0.1558","","","","","","1.009","","","","has coordinates,has Fobs","136894","2020-10-21","18:00:00",""
"2240740","26.1463","0.0017","12.3091","0.0008","10.1776","0.0007","90","","101.383","0.004","90","","3211.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(4-Fluorophenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine","","- C19 H14 F N S2 -","- C19 H14 F N S2 -","- C152 H112 F8 N8 S16 -","8","1","JJ2176","Manjula, M.; Manjunath, B. C.; Renuka, N.; Ajay Kumar, K.; Lokanath, N. K.","2-(4-Fluorophenyl)-4-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepine","Acta Crystallographica Section E","2013","69","11","o1608","","10.1107/S1600536813025889","","","1.54178","CuKα","","0.0625","0.0465","","","0.1239","0.1341","","","","","","1.053","","","","has coordinates,has Fobs","136902","2020-10-21","18:00:00",""
"2300375","4.76029","0.00034","4.76029","","12.992","0.0011","90","","90","","120","","254.96","0.03","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Al2 O3 -","- Al2 O3 -","- Al12 O18 -","6","0.166667","KS5332","Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka","High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi","Journal of Applied Crystallography","2013","46","1","14","24","10.1107/S0021889812047085","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300376","4.49678","0.00005","4.49678","","4.49678","","90","","90","","90","","90.9295","0.001","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","","","- Ni Si -","- Ni Si -","- Ni4 Si4 -","4","0.333333","KS5332","Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka","High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi","Journal of Applied Crystallography","2013","46","1","14","24","10.1107/S0021889812047085","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300377","3.2735","0.00015","3.02662","0.00012","4.69776","0.00006","90","","90","","90","","46.544","0.003","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","","","","- Ni Si -","- Ni Si -","- Ni2 Si2 -","2","0.25","KS5332","Wood, Ian G.; Ahmed, Jabraan; Dobson, David P.; Vočadlo, Lidunka","High-pressure phase transitions and equations of state in NiSi. III. A new high-pressure phase of NiSi","Journal of Applied Crystallography","2013","46","1","14","24","10.1107/S0021889812047085","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300380","26.3034","0.0002","26.3034","0.0002","26.3034","0.0002","90","","90","","90","","18198.5","0.2","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","HKUST-1","","","- C15 H4 Cu2 O10 -","- C15 H4 Cu2 O10 -","- C360 H96 Cu48 O240 -","24","0.125","FS5026","Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai","Generation and applications of structure envelopes for porous metal‒organic frameworks","Journal of Applied Crystallography","2013","46","2","346","353","10.1107/S0021889812050935","powder diffraction","","0.45875","synchrotron","","","","","","","","","0.0824","1.73","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300381","26.3167","0.0011","26.3167","0.0011","26.3167","0.0011","90","","90","","90","","18226.1","1.3","100","","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","HKUST-1","","","- C33 H4 Cu2 O10 -","- C33 H4 Cu2 O10 -","- C792 H96 Cu48 O240 -","24","0.125","FS5026","Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai","Generation and applications of structure envelopes for porous metal‒organic frameworks","Journal of Applied Crystallography","2013","46","2","346","353","10.1107/S0021889812050935","powder diffraction","","0.45875","synchrotron","","","","","","","","","0.0682","1.64","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300382","28.697","0.002","9.2637","0.0005","9.3223","0.0005","90","","116.087","0.004","90","","2225.8","0.2","295","2","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H7 Cu N5 O2 -","- C8.5 H7 Cu N5 O2 -","- C68 H56 Cu8 N40 O16 -","8","1","FS5026","Yakovenko, Andrey A.; Reibenspies, Joseph H.; Bhuvanesh, Nattamai; Zhou, Hong-Cai","Generation and applications of structure envelopes for porous metal‒organic frameworks","Journal of Applied Crystallography","2013","46","2","346","353","10.1107/S0021889812050935","powder diffraction","","0.6065","synchrotron","","","","","","","","","0.0472","4.07","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2300383","11.22205","0.00006","34.8174","0.0002","11.22569","0.00007","90","","90","","90","","4386.13","0.04","300","","300","","","","","","","","","3","C m c 21","C 2c -2","36","yttrium_mono_metallofullerene","Endohedral metallofullerene","","- C356 H32 Y4 -","- C264 H32 Y4 -","- C264 H32 Y4 -","1","0.125","HE5595","Maki, Sachiko; Nishibori, Eiji; Kawaguchi, Daisuke; Sakata, Makoto; Takata, Masaki; Inoue, Takashi; Shinohara, Hisanori","Element-selective charge density visualization of endohedral metallofullerenes using synchrotron X-ray multi-wavelength anomalous powder diffraction data","Journal of Applied Crystallography","2013","46","3","649","655","10.1107/S002188981300592X","powder diffraction","","0.7333","synchrotron","","","","","","","","","","","","","","","","","has coordinates,has disorder","176809","2020-10-21","18:00:00",""
"2300384","7.979","0.003","10.274","0.003","12.103","0.004","90","","90","","90","","992.2","0.6","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Benzophenone","","","- C13 H10 O -","- C13 H10 O -","- C52 H40 O4 -","4","1","","Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H.","Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone","Journal of Applied Crystallography","2013","46","3","656","662","10.1107/S0021889813006225","","neutron","","neutron","","0.0904","0.0904","","","0.2243","0.2243","","","","","","1.07","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300385","7.7145","0.0015","10.2301","0.0015","12.0269","0.0018","90","","90","","90","","949.2","0.3","70","2","70","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Benzophenone","","","- C13 H10 O -","- C13 H10 O -","- C52 H40 O4 -","4","1","","Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H.","Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone","Journal of Applied Crystallography","2013","46","3","656","662","10.1107/S0021889813006225","","neutron","","neutron","","0.0914","0.0914","","","0.2068","0.2068","","","","","","1.044","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300386","7.9958","0.0015","10.2907","0.0019","12.174","0.002","90","","90","","90","","1001.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Benzophenone","","","- C13 H10 O -","- C13 H10 O -","- C52 H40 O4 -","4","1","","Reilly, Anthony M.; Wann, Derek A.; Gutmann, Matthias J.; Jura, Marek; Morrison, Carole A.; Rankin, David W. H.","Predicting anisotropic displacement parameters using molecular dynamics: density functional theory plus dispersion modelling of thermal motion in benzophenone","Journal of Applied Crystallography","2013","46","3","656","662","10.1107/S0021889813006225","","","0.71073","MoKα","","0.0914","0.0478","","","0.0675","0.079","","","","","","0.971","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300387","7.60788","0.00012","14.8299","0.0002","10.2865","0.00016","90","","90","","90","","1160.57","0.03","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","Barium Fluoride Borate","","- B3 Ba5 F O9 -","- B3 Ba5 F O9 -","- B12 Ba20 F4 O36 -","4","0.5","NB5067","Rashchenko, Sergey V.; Bekker, Tatyana B.; Bakakin, Vladimir V.; Seryotkin, Yurii V.; Kokh, Alexander E.; Gille, Peter; Popov, Arthur I.; Fedorov, Pavel P.","A new mechanism of anionic substitution in fluoride borates","Journal of Applied Crystallography","2013","46","4","1081","1084","10.1107/S0021889813015756","","","0.71073","MoKα","","0.0241","0.0211","","","0.054","0.0556","","","","","","1.113","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300388","3.82","0.01","3.82","0.01","6.318","0.01","90","0.02","90","0.02","90","0.02","92.2","0.4","293","2","293","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- As0.84 Cu1.08 Mn0.94 -","- As0.96 Cu Mn0.86 -","- As1.92 Cu2 Mn1.72 -","2","0.125","RG5041","Wadley, P.; Crespi, A.; Gázquez, J.; Roldán, M.A.; García, P.; Novak, V.; Campion, R.; Jungwirth, T.; Rinaldi, C.; Martí, X.; Holy, V.; Frontera, C.; Rius, J.","Obtaining the structure factors for an epitaxial film using Cu X-ray radiation","Journal of Applied Crystallography","2013","46","6","1749","1754","10.1107/S002188981302414X","","","1.5406","","","0.0933","0.046","","","0.0679","0.1066","","","","","","0.391","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300457","5.50729","0.00009","5.50729","","12.4789","0.0004","90","","90","","90","","378.488","0.014","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Barium strontium molybdate","","","- Ba0.41 Mo O4 Sr0.59 -","- Ba0.40845 Mo O4 Sr0.59155 -","- Ba1.6338 Mo4 O16 Sr2.3662 -","4","0.25","AJ5215","Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E.","Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals","Journal of Applied Crystallography","2013","46","5","1434","1446","10.1107/S0021889813020335","powder diffraction","x-ray","1.5405","CuKα","","0.0609","0.0485","","","0.0835","","0.03355","","1.72","","","1.37","","","","has coordinates","264551","2021-04-26","18:28:38",""
"2300458","5.54906","0.00005","5.54906","","12.66803","0.00022","90","","90","","90","","390.075","0.008","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Barium strontium molybdate","","","- Ba0.73 Mo O4 Sr0.27 -","- Ba0.727 Mo O4 Sr0.273 -","- Ba2.908 Mo4 O16 Sr1.092 -","4","0.25","AJ5215","Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E.","Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals","Journal of Applied Crystallography","2013","46","5","1434","1446","10.1107/S0021889813020335","powder diffraction","x-ray","1.5405","CuKα","","0.0658","0.0555","","","0.0898","","0.03415","","1.83","","","1.36","","","","has coordinates","264551","2021-04-26","18:28:39",""
"2300459","5.584828","0.000021","5.584828","","12.82922","0.00009","90","","90","","90","","400.147","0.003","298","","298","","","","","","","","Scheelite","3","I 41/a :2","-I 4ad","88","Barium molybdate","","","- Ba Mo O4 -","- Ba Mo O4 -","- Ba4 Mo4 O16 -","4","0.25","AJ5215","Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E.","Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals","Journal of Applied Crystallography","2013","46","5","1434","1446","10.1107/S0021889813020335","powder diffraction","x-ray","1.5405","CuKα","","0.0656","0.0555","","","0.092","","0.04185","","1.66","","","1.4","","","","has coordinates","264551","2021-04-26","18:28:39",""
"2300460","5.402647","0.000022","5.402647","","12.04112","0.00008","90","","90","","90","","351.463","0.003","298","","298","","","","","","","","Scheelite","3","I 41/a :2","-I 4ad","88","Strontium molybdate","","","- Mo O4 Sr -","- Mo O4 Sr -","- Mo4 O16 Sr4 -","4","0.25","XX","Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E.","Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals","Journal of Applied Crystallography","2013","46","5","1434","1446","10.1107/S0021889813020335","powder diffraction","x-ray","1.5405","CuKα","","0.0483","0.0462","","","0.0701","","0.02266","","1.52","","","1.45","","","","has coordinates","264551","2021-04-26","18:28:39",""
"2300461","5.45711","0.00005","5.45711","","12.25476","0.00023","90","","90","","90","","364.947","0.008","298","","298","","","","","","","","Scheelite","4","I 41/a :2","-I 4ad","88","Barium strontium molybdate","","","- Ba0.19 Mo O4 Sr0.81 -","- Ba0.19285 Mo O4 Sr0.80715 -","- Ba0.7714 Mo4 O16 Sr3.2286 -","4","0.25","AJ5215","Nogueira, I. C.; Cavalcante, L. S.; Pereira, P. F. S.; de Jesus, M. M.; Rivas Mercury, J. M.; Batista, N. C.; Li, M. Siu; Longo, E.","Rietveld refinement, morphology and optical properties of (Ba~1{-~<i>x</i>}Sr<i>~x~</i>)MoO~4~ crystals","Journal of Applied Crystallography","2013","46","5","1434","1446","10.1107/S0021889813020335","powder diffraction","x-ray","1.5405","CuKα","","0.0629","0.0447","","","0.0859","","0.02686","","1.92","","","1.37","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2300500","82.904","0.01","4.85","0.001","18.76","0.005","90","","74.34","0.01","90","","7263","3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cimetidine","N-Cyano-N'-methyl-N''-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidine","","- C10 H16 N6 S -","- C10 H16 N6 S -","- C240 H384 N144 S24 -","24","3","HE5576","Arakcheeva, Alla; Pattison, Philip; Bauer-Brandl, Annette; Birkedal, Henrik; Chapuis, Gervais","Cimetidine, C~10~H~16~N~6~S, form C: crystal structure and modelling of polytypes using the superspace approach","Journal of Applied Crystallography","2013","46","1","99","107","10.1107/S0021889812048133","","synchrotron","0.8","synchrotron","","0.0608","0.0457","","","0.0582","0.0713","","","","4.15","4.15","4.54","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2300547","13.817","0.001","4.85","0.001","18.76","0.005","90","","74.34","0.019","90","","1210.5","0.4","100","","100","","","","","","","","","4","P 1 2/c 1 (a,2*b,c)","-P 2yc (x,1/2*y,z)","13","Cimetidine","N-Cyano-N'-methyl-N''-[2-((4-methyl-5-imidazolyl)-methylthio)ethyl]guanidine","","- C10 H16 N6 S -","- C10 H16 N6 S -","- C40 H64 N24 S4 -","4","","HE5576","Arakcheeva, Alla; Pattison, Philip; Bauer-Brandl, Annette; Birkedal, Henrik; Chapuis, Gervais","Cimetidine, C10H16N6S, form C: crystal structure and modelling of polytypes using the superspace approach","Journal of Applied Crystallography","2013","46","1","99","","10.1107/S0021889812048133","","synchrotron","0.71073","synchrotron","","0.0609","0.0458","","","0.0582","0.0712","","","","4.16","4.16","4.56","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310113","40.5405","","40.5405","","40.5405","","90","","90","","90","","66629.6","","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Al72.515 Cr4.928 Fe7.853 Pd22.498 -","- Al72.52 Cr4.93 Fe7.844 Pd22.496 -","- Al2900.8 Cr197.2 Fe313.76 Pd899.84 -","40","1.66667","DM5040","Fujita, Nobuhisa; Takano, Hikari; Yamamoto, Akiji; Tsai, An-Pang","Cluster-packing geometry for Al-based F-type icosahedral alloys","Acta Crystallographica Section A","2013","69","3","322","340","10.1107/S0108767313005035","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310735","7.827","0.005","5.218","0.004","5.537","0.003","90","","90","","90.02","0.05","226.1","0.3","90","","90","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.615 La3.333 O11.333 Ti2.718 -","- Fe0.4336 La3.3344 O11.3328 Ti1.5648 -","- Fe0.4336 La3.3344 O11.3328 Ti1.5648 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","x-ray","0.71069","MoKα","","0.031","0.0292","","","0.0431","0.0433","","","","2.7","2.7","2.66","","","","has coordinates","201407","2020-10-21","18:00:00",""
"2310736","7.8266","0.0015","5.2203","0.0013","5.5404","0.0011","90","","90","","89.988","0.016","226.37","0.08","150","","150","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.615 La3.333 O11.333 Ti2.718 -","- Fe0.4432 La3.3344 O11.3328 Ti1.556 -","- Fe0.4432 La3.3344 O11.3328 Ti1.556 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","x-ray","0.71069","MoKα","","0.0305","0.0287","","","0.0428","0.0431","","","","2.7","2.7","2.66","","","","has coordinates","201407","2020-10-21","18:00:00",""
"2310737","7.8295","0.0016","5.2213","0.0014","5.5418","0.0012","90","","90","","89.994","0.017","226.55","0.09","200","","200","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.615 La3.333 O11.333 Ti2.718 -","- Fe0.416 La3.3344 O11.3328 Ti1.5832 -","- Fe0.416 La3.3344 O11.3328 Ti1.5832 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","x-ray","0.71069","MoKα","","0.0307","0.0288","","","0.0417","0.042","","","","2.63","2.63","2.59","","","","has coordinates","201407","2020-10-21","18:00:00",""
"2310738","7.8339","0.0017","5.2222","0.0015","5.5444","0.0013","90","","90","","90.007","0.017","226.82","0.1","250","","250","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.615 La3.333 O11.333 Ti2.718 -","- Fe0.4304 La3.3344 O11.3328 Ti1.5696 -","- Fe0.4304 La3.3344 O11.3328 Ti1.5696 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","x-ray","0.71069","MoKα","","0.0357","0.0332","","","0.0479","0.0481","","","","2.79","2.79","2.72","","","","has coordinates","201407","2020-10-21","18:00:00",""
"2310739","7.837","0.0016","5.2237","0.0013","5.5459","0.0012","90","","90","","90.001","0.017","227.04","0.09","293","","293","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.615 La3.333 O11.333 Ti2.718 -","- Fe0.44 La3.3344 O11.3328 Ti1.536 -","- Fe0.44 La3.3344 O11.3328 Ti1.536 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","","0.71069","MoKα","","0.0329","0.0299","","","0.0448","0.0452","","","","2.84","2.84","2.77","","","","has coordinates","201407","2020-10-21","18:00:00",""
"2310740","7.8394","0.0015","5.2244","0.0013","5.5468","0.00011","90","","90","","89.997","0.016","227.18","0.07","320","","320","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.615 La3.333 O11.333 Ti2.718 -","- Fe0.464 La3.3344 O11.3328 Ti1.504 -","- Fe0.464 La3.3344 O11.3328 Ti1.504 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","","0.71069","MoKα","","0.037","0.0339","","","0.0498","0.05","","","","2.91","2.91","2.84","","","","has coordinates","201407","2020-10-21","18:00:00",""
"2310741","7.8422","0.0016","5.2254","0.0014","5.5484","0.0012","90","","90","","89.998","0.017","227.37","0.09","350","","350","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.615 La3.333 O11.333 Ti2.718 -","- Fe0.4392 La3.3344 O11.3328 Ti1.5616 -","- Fe0.4392 La3.3344 O11.3328 Ti1.5616 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","x-ray","0.71069","","","0.0367","0.034","","","0.05","0.0503","","","","2.9","2.9","2.83","","","","has coordinates","201407","2020-10-21","18:00:00",""
"2310742","7.821","0.002","5.2697","0.0018","5.5468","0.0018","90","","90","","90.02","0.02","228.61","0.12","90","","90","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.571 La3.429 O11.429 Ti2.858 -","- Fe1.0304 La3.4288 O11.4288 Ti1.248 -","- Fe1.0304 La3.4288 O11.4288 Ti1.248 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","x-ray","0.71069","","","0.0734","0.0677","","","0.0892","0.09","","","","3.19","3.19","3.09","","","","has coordinates","201407","2020-10-21","18:00:00",""
"2310743","7.8248","0.0018","5.2721","0.0014","5.5483","0.0016","90","","90","","90.007","0.017","228.88","0.1","140","","140","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.571 La3.429 O11.429 Ti2.858 -","- Fe0.908 La3.4288 O11.4288 Ti1.3792 -","- Fe0.908 La3.4288 O11.4288 Ti1.3792 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","x-ray","0.71069","MoKα","","0.0672","0.0622","","","0.0833","0.0841","","","","3.31","3.31","3.22","","","","has coordinates","201407","2020-10-21","18:00:00",""
"2310744","7.8267","0.0019","5.2714","0.0016","5.5503","0.0017","90","","90","","90.019","0.017","228.99","0.11","200","","200","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.571 La3.429 O11.429 Ti2.858 -","- Fe0.956 La3.4288 O11.4288 Ti1.3304 -","- Fe0.956 La3.4288 O11.4288 Ti1.3304 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","x-ray","0.71069","MoKα","","0.0691","0.0635","","","0.0833","0.0841","","","","3.39","3.39","3.29","","","","has coordinates","201407","2020-10-21","18:00:00",""
"2310745","7.8302","0.0019","5.2737","0.0016","5.5518","0.0018","90","","90","","90.001","0.018","229.26","0.12","250","","250","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.571 La3.429 O11.429 Ti2.858 -","- Fe0.9544 La3.4288 O11.4288 Ti1.34 -","- Fe0.9544 La3.4288 O11.4288 Ti1.34 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","x-ray","0.71069","MoKα","","0.0677","0.0625","","","0.0821","0.0829","","","","3.32","3.32","3.22","","","","has coordinates","201407","2020-10-21","18:00:00",""
"2310746","7.8367","0.0018","5.2775","0.0014","5.5561","0.0017","90","","90","","90.044","0.017","229.79","0.11","295","","295","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.571 La3.429 O11.429 Ti2.858 -","- Fe0.9568 La3.4288 O11.4288 Ti1.3224 -","- Fe0.9568 La3.4288 O11.4288 Ti1.3224 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","x-ray","0.71069","MoKα","","0.0684","0.0657","","","0.0893","0.0899","","","","3.28","3.28","3.23","","","","has coordinates","201407","2020-10-21","18:00:00",""
"2310747","7.8339","0.0019","5.2752","0.0013","5.552","0.0018","90","","90","","89.99","0.016","229.44","0.11","320","","320","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.571 La3.429 O11.429 Ti2.858 -","- Fe0.9048 La3.4288 O11.4288 Ti1.3824 -","- Fe0.9048 La3.4288 O11.4288 Ti1.3824 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","x-ray","0.71069","MoKα","","0.0671","0.062","","","0.0829","0.0836","","","","3.35","3.35","3.25","","","","has coordinates","201407","2020-10-21","18:00:00",""
"2310748","7.8379","0.0018","5.2768","0.0013","5.5545","0.0014","90","","90","","89.996","0.017","229.73","0.1","350","","350","","","","","","","","","4","P 1 21/c 1 (2*c,2*a+c,b)","-P 2ybc (-1/4*x+1/2*z,1/2*x,y)","14","","","","- Fe0.571 La3.429 O11.429 Ti2.858 -","- Fe0.9248 La3.4288 O11.4288 Ti1.3544 -","- Fe0.9248 La3.4288 O11.4288 Ti1.3544 -","1","","BP5048","Wölfel, Alexander; Dorscht, Philipp; Lichtenberg, Frank; van Smaalen, Sander","Anisotropic thermal expansion of La(n)(Ti,Fe)(n)O(3n + 2) (n = 5 and 6)","Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials","2013","69","2","137","144","10.1107/S2052519213003126","","x-ray","0.71069","MoKα","","0.0683","0.0619","","","0.0811","0.0819","","","","3.21","3.21","3.09","","","","has coordinates","203219","2020-10-21","18:00:00",""
"2311115","16.2444","0.0006","21.17","0.0006","7.2399","0.0002","90","","90","","90","","2489.76","0.13","103","","103","","","","","","","","","3","I b a 2","I 2 -2c","45","","5-(Prop-2-yn-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepine","","- C17 H13 N -","- C17 H13 N -","- C136 H104 N8 -","8","1","HB6998","Abdoh, M. M. M.; Madan Kumar, S.; Vinay Kumar, K. S.; Manjunath, B. C.; Sadashiva, M. P.; Lokanath, N. K.","5-(Prop-2-yn-1-yl)-5H-dibenzo[b,f]azepine: ortho-rhom-bic polymorph.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 1","o17","","10.1107/S1600536812048908","","","0.71073","MoKα","","0.0283","0.0258","","","0.0658","0.0674","","","","","","1.088","","","","has coordinates","245587","2020-10-21","18:00:00",""
"2311116","8.1941","0.0006","9.5983","0.0014","10.3193","0.0018","64.637","0.016","80.356","0.01","83.61","0.009","722.3","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","benzimidazole","2-(1-Phenyl-1<i>H</i>-benzimidazol-2-yl)phenol","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C38 H28 N4 O2 -","2","1","TK5179","Thiruvalluvar, A.; Rosepriya, S.; Jayamoorthy, K.; Jayabharathi, J.; Oztürk Yildirim, Sema; Butcher, R. J.","2-(1-Phenyl-1H-benzimidazol-2-yl)phenol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 1","o62","","10.1107/S1600536812049859","","","1.54184","CuKα","","0.0664","0.0589","","","0.162","0.171","","","","","","1.037","","","","has coordinates","245588","2020-10-21","18:00:00",""
"2311117","11.79596","0.00009","9.17559","0.00007","16.75788","0.00013","90","","92.2372","0.0007","90","","1812.4","0.02","123","","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","9-[3-(Dimethylamino)propyl]-10,10-dimethyl-9,10-dihydroanthracen-9-ol","","- C21 H27 N O -","- C21 H27 N O -","- C84 H108 N4 O4 -","4","2","HB7006","Kaur, Manpreet; Butcher, Ray J.; Akkurt, Mehmet; Yathirajan, H. S.; Nagaraj, B.","9-[3-(Dimethyl-amino)-prop-yl]-10,10-dimethyl-9,10-dihydro-anthracen-9-ol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o175","","10.1107/S1600536812050088","","","1.54184","CuKα","","0.0337","0.0335","","","0.0909","0.0911","","","","","","1.057","","","","has coordinates","245589","2020-10-21","18:00:00",""
"2311118","8.81","0.002","13.809","0.003","15.797","0.004","90","","100.026","0.004","90","","1892.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","9-(3-Bromo-5-chloro-2-hydroxyphenyl)-10-(2-hydroxyethyl)-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione","","- C21 H21 Br Cl N O4 -","- C21 H21 Br Cl N O4 -","- C84 H84 Br4 Cl4 N4 O16 -","4","1","HG5278","Mohamed, Shaaban K.; Akkurt, Mehmet; Horton, Peter N.; Abdelhamid, Antar A.; Remaily, Mahmoud A A El","9-(3-Bromo-5-chloro-2-hy-droxy-phen-yl)-10-(2-hy-droxy-eth-yl)-1,2,3,4,5,6,7,8,9,10-deca-hydro-acridine-1,8-dione.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 1","o85","6","10.1107/S1600536812050222","","","0.71075","MoKα","","0.0293","0.0282","","","0.0758","0.0767","","","","","","1.026","","","","has coordinates","245590","2020-10-21","18:00:00",""
"2311119","18.9837","0.001","4.74","0.002","16.105","0.008","90","","92.927","0.009","90","","1447.3","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-{(<i>Z</i>)-[3-(1-Hydroxyethyl)anilino]methylidene}naphthalen- 2(1<i>H</i>)-one","","- C19 H17 N O2 -","- C19 H17 N O2 -","- C76 H68 N4 O8 -","4","1","SU2542","Horton, Peter N.; Akkurt, Mehmet; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Marzouk, Adel A.","1-{(Z)-[3-(1-Hy-droxy-eth-yl)anilino]methyl-idene}naphthalen-2(1H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 1","o106","","10.1107/S1600536812050635","","","0.71075","MoKα","","0.0716","0.0653","","","0.1687","0.1745","","","","","","1.064","","","","has coordinates,has disorder","245591","2020-10-21","18:00:00",""
"2311120","4.5082","0.0009","19.815","0.004","13.853","0.003","90","","95.484","0.005","90","","1231.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromo-2-[(<i>E</i>)-(2-fluoro-5-nitrophenyl)iminomethyl]phenol","","- C13 H8 Br F N2 O3 -","- C13 H8 Br F N2 O3 -","- C52 H32 Br4 F4 N8 O12 -","4","1","XU5665","Mohamed, Shaaban K.; Akkurt, Mehmet; Horton, Peter N.; Abdelhamid, Antar A.; Marzouk, Adel A.","4-Bromo-2-[(E)-(2-fluoro-5-nitro-phenyl)iminometh-yl]phenol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 1","o107","","10.1107/S1600536812050696","","","0.71075","MoKα","","0.0273","0.0251","","","0.0576","0.0586","","","","","","1.049","","","","has coordinates","245592","2020-10-21","18:00:00",""
"2311121","23.452","0.016","5.809","0.004","8.739","0.006","90","","96.445","0.007","90","","1183","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-{(<i>Z</i>)-[(2,3-Dihydroxypropyl)amino]methylidene}naphthalen- 2(1<i>H</i>)-one","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","LH5572","Akkurt, Mehmet; Horton, Peter N.; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Remaily, Mahmoud A A El","1-{(Z)-[(2,3-Dihy-droxy-prop-yl)amino]-methyl-idene}naphthalen-2(1H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 1","o136","7","10.1107/S1600536812051070","","","0.71075","MoKα","","0.0637","0.0579","","","0.1521","0.1563","","","","","","1.113","","","","has coordinates,has disorder","245593","2020-10-21","18:00:00",""
"2311122","6.3925","0.0003","7.988","0.0004","13.8629","0.0008","83.151","0.005","81.649","0.004","78.921","0.004","684.28","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","carbazole","(<i>E</i>)-2-[(Furan-2-yl)methylidene]-7-methyl-2,3,4,9- tetrahydro-1<i>H</i>-carbazol-1-one","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","TK5183","Thiruvalluvar, A.; Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Butcher, R. J.; Gupta, Sushil K.; Oztürk Yildirim, Sema","(E)-2-[(Furan-2-yl)methyl-idene]-7-methyl-2,3,4,9-tetra-hydro-1H-carbazol-1-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o150","","10.1107/S1600536812051203","","","1.54184","CuKα","","0.0527","0.0467","","","0.1252","0.1323","","","","","","1.054","","","","has coordinates","245594","2020-10-21","18:00:00",""
"2311123","18.0823","0.0013","6.4623","0.0004","15.1892","0.0011","90","","100.821","0.006","90","","1743.3","0.2","296","2","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-({4-[(2-Methylbenzylidene)amino]-5-sulfanylidene-1<i>H</i>- 1,2,4-triazol-3-yl}methyl)-1,3-benzoxazol-2(3<i>H</i>)-one","","- C18 H15 N5 O2 S -","- C18 H15 N5 O2 S -","- C72 H60 N20 O8 S4 -","4","1","CV5375","Aydın, Abdullah; Hekimoğlu, Nuray; Akkurt, Mehmet; Onkol, Tijen; Ciçekli, Sölen Urlu; Büyükgüngör, Orhan","3-({4-[(2-Methyl-benzyl-idene)amino]-5-sulfanyl-idene-1H-1,2,4-triazol-3-yl}meth-yl)-1,3-benzoxazol-2(3H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o169","70","10.1107/S1600536812051458","","","0.71073","MoKα","","0.06","0.0419","","","0.1023","0.1098","","","","","","1.031","","","","has coordinates","245595","2020-10-21","18:00:00",""
"2311124","8.227","0.004","13.505","0.007","16.044","0.008","87.451","0.008","78.869","0.009","80.241","0.009","1723.6","1.5","300","","300","","","","","","","","","4","P -1","-P 1","2","","4-[Amino(3-methylphenyl)methylidene]-2-(3-methylphenyl)-1<i>H</i>-imidazol- 5(4<i>H</i>)-one ethanol hemisolvate","","- C19 H20 N3 O1.5 -","- C19 H20 N3 O1.5 -","- C76 H80 N12 O6 -","4","2","HB7015","Prabhuswamy, M.; Madan Kumar, S.; Muneer, C. P.; Shafi, P. M.; Lokanath, N. K.","4-[Amino-(3-methyl-phen-yl)methyl-idene]-2-(3-methyl-phen-yl)-1H-imidazol-5(4H)-one ethanol hemisolvate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o174","","10.1107/S160053681205163X","","","0.71073","MoKα","","0.1002","0.0704","","","0.1976","0.2268","","","","","","1.022","","","","has coordinates","245596","2020-10-21","18:00:00",""
"2311125","33.088","0.008","12.732","0.003","8.711","0.0018","90","","97.896","0.009","90","","3634.9","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl <i>N</i>-(2-benzoyl-3-oxo-3-phenylpropanoyl)carbamate","","- C19 H17 N O5 -","- C19.002 H17.005 N O5 -","- C152.016 H136.04 N8 O40 -","8","1","HB7023","Akkurt, Mehmet; Sarıoğlu, Ahmet Oral; Sönmez, Mehmet; Tahir, Muhammad Nawaz","Ethyl N-(2-benzoyl-3-oxo-3-phenyl-propano-yl)carbamate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o220","","10.1107/S1600536813000445","","","0.71073","MoKα","","0.1108","0.0487","","","0.1043","0.1318","","","","","","1.009","","","","has coordinates,has disorder","245597","2020-10-21","18:00:00",""
"2311126","5.5885","0.0011","8.3929","0.0018","42.069","0.009","90","","92.149","0.01","90","","1971.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1-Methylethyl)-<i>N</i>-((<i>E</i>)-4-{[1-(prop-2-en-1-yl)-1<i>H</i>- 1,2,3-triazol-4-yl]methoxy}benzylidene)aniline","","- C22 H24 N4 O -","- C22 H24 N4 O -","- C88 H96 N16 O4 -","4","1","BQ2382","Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Tahir, Muhammad Nawaz","4-(1-Methyl-eth-yl)-N-((E)-4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}benzyl-idene)aniline.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o247","","10.1107/S1600536813000755","","","0.71073","MoKα","","0.2129","0.0684","","","0.1522","0.2166","","","","","","0.963","","","","has coordinates,has disorder","245598","2020-10-21","18:00:00",""
"2311127","4.8387","0.0002","9.2913","0.0004","20.0273","0.0008","90","","90.171","0.001","90","","900.38","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Glycine‒<i>D</i>-tartaric acid (1/1)","","- C6 H11 N O8 -","- C6 H11 N O8 -","- C24 H44 N4 O32 -","4","1","BV2215","Mohandas, T.; Inbaseelan, C. Ranjith Dev; Saravanan, S.; Sakthivel, P.","Glycine-d-tartaric acid (1/1).","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o236","","10.1107/S1600536813000822","","","0.71073","MoKα","","0.046","0.0371","","","0.1052","0.1116","","","","","","1.065","","","","has coordinates","245599","2020-10-21","18:00:00",""
"2311128","8.7179","0.0004","9.6796","0.0005","11.3612","0.0006","67.654","0.002","68.123","0.002","85.013","0.002","821.2","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-Phenyl-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole","","- C20 H13 F3 N2 -","- C20 H13 F3 N2 -","- C40 H26 F6 N4 -","2","1","BV2218","Jayamoorthy, K.; Mohandas, T.; Sakthivel, P.; Jayabharathi, J.","1-Phenyl-2-[4-(trifluoro-meth-yl)phen-yl]-1H-benzimidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o244","","10.1107/S1600536813000834","","","0.71073","MoKα","","0.0488","0.0377","","","0.0936","0.1048","","","","","","1.031","","","","has coordinates,has disorder","245600","2020-10-21","18:00:00",""
"2311129","14.476","0.006","9.312","0.004","9.835","0.004","90","","108.192","0.008","90","","1259.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4-(Trifluoromethoxy)phenyl]-1<i>H</i>-benzimidazole","","- C14 H9 F3 N2 O -","- C14 H9 F3 N2 O -","- C56 H36 F12 N8 O4 -","4","1","GK2550","Fathima, Nikhath; Krishnamurthy, M. S.; Begum, Noor Shahina","2-[4-(Trifluoro-meth-oxy)phen-yl]-1H-benzimidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o264","","10.1107/S1600536813001220","","","0.71073","MoKα","","0.1164","0.0642","","","0.1307","0.1574","","","","","","0.996","","","","has coordinates,has disorder","245601","2020-10-21","18:00:00",""
"2311130","16.362","0.005","14.476","0.005","9.543","0.005","90","","91.51","0.005","90","","2259.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')bis(pyridine-κ<i>N</i>)nickel(II) dihydrate","","- C20 H28 N2 Ni O6 -","- C20 H28 N2 Ni O6 -","- C80 H112 N8 Ni4 O24 -","4","1","KJ2219","Boutebdja, Mehdi; Beghidja, Adel; Beghidja, Chahrazed","Bis(acetyl-acetonato-κ(2)O,O')bis-(pyridine-κN)nickel(II) dihydrate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","m131","","10.1107/S1600536813002699","","","0.71073","MoKα","","0.0479","0.0342","","","0.0903","0.1027","","","","","","1.046","","","","has coordinates","245602","2020-10-21","18:00:00",""
"2311131","8.568","0.0002","10.607","0.0003","23.69","0.0006","90","","93.899","0.001","90","","2147.98","0.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3,5-Dimethylphenyl)-2-(4-fluorophenyl)-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C29 H21 F N2 -","- C29 H21 F N2 -","- C116 H84 F4 N8 -","4","1","RK2393","Sathishkumar, R.; Mohandas, T.; Sakthivel, P.; Jayabharathi, J.","1-(3,5-Dimethyl-phen-yl)-2-(4-fluoro-phen-yl)-1H-phenanthro[9,10-d]imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 3","o367","","10.1107/S1600536813003486","","","0.71073","MoKα","","0.054","0.0387","","","0.0969","0.1091","","","","","","1.024","","","","has coordinates","245603","2020-10-21","18:00:00",""
"2311132","9.643","0.0003","9.898","0.0003","12.307","0.0004","77.432","0.001","71.621","0.001","73.158","0.001","1056.57","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-(4-Fluorophenyl)-1-(4-methoxyphenyl)-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C28 H19 F N2 O -","- C28 H19 F N2 O -","- C56 H38 F2 N4 O2 -","2","1","PV2618","Mohandas, T.; Sathishkumar, R.; Sakthivel, P.; Jayabharathi, J.","2-(4-Fluoro-phen-yl)-1-(4-meth-oxy-phen-yl)-1H-phenanthro[9,10-d]imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 3","o368","","10.1107/S1600536813003504","","","0.71073","MoKα","","0.0422","0.0349","","","0.0886","0.0977","","","","","","1.031","","","","has coordinates","245604","2020-10-21","18:00:00",""
"2311133","6.4147","0.0002","14.6321","0.0006","11.9911","0.0005","90","","97.22","0.002","90","","1116.57","0.07","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-Methoxyphenyl)-5-methylisoxazole-4-carboxylic acid","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","HB7037","Chandra, ?; Raghu, K.; Srikantamurthy, N.; Umesha, K. B.; Palani, K.; Mahendra, M.","3-(4-Meth-oxy-phen-yl)-5-methylisoxazole-4-carb-oxy-lic acid.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 3","o388","","10.1107/S1600536813004029","","","0.71073","MoKα","","0.0626","0.0448","","","0.1105","0.125","","","","","","1.037","","","","has coordinates","245605","2020-10-21","18:00:00",""
"2311134","14.357","0.0004","13.282","0.0004","10.738","0.0003","90","","108.212","0.001","90","","1945.05","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[2-(4-Methoxyphenyl)-4,5-diphenyl-1<i>H</i>-imidazol-1-yl]ethanol","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C96 H88 N8 O8 -","4","1","SU2561","Mohamed, Shaaban Kamel; Akkurt, Mehmet; Marzouk, Adel A.; Abbasov, Vagif M.; Gurbanov, Atash V.","2-[2-(4-Meth-oxy-phen-yl)-4,5-diphenyl-1H-imidazol-1-yl]ethanol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o474","5","10.1107/S1600536813004285","","","0.71073","MoKα","","0.0564","0.0427","","","0.1048","0.11","","","","","","1.041","","","","has coordinates,has disorder","245606","2020-10-21","18:00:00",""
"2311135","9.4059","0.0008","6.5009","0.0005","12.4919","0.001","90","","105.914","0.009","90","","734.57","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-Amino-1-phenyl-1<i>H</i>-benzo[<i>f</i>]chromene-2-carbonitrile","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","1","TK5198","Akkurt, Mehmet; Kennedy, Alan R.; Mohamed, Shaaban Kamel; Younes, Sabry H. H.; Miller, Gary J.","3-Amino-1-phenyl-1H-benzo[f]chromene-2-carbonitrile.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 3","o401","","10.1107/S1600536813004376","","","0.71073","MoKα","","0.0504","0.0421","","","0.0847","0.0907","","","","","","1.058","","","","has coordinates","245607","2020-10-21","18:00:00",""
"2311136","18.6093","0.0019","11.5447","0.0013","12.1216","0.0013","90","","95.625","0.004","90","","2591.6","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[diaquabis(μ~2~-4,4'-bipyridyl)cobalt(II)] dinitrate tetrahydrate]","","- C20 H28 Co N6 O12 -","- C20 H28 Co N6 O12 -","- C80 H112 Co4 N24 O48 -","4","0.5","HB7035","Lehleh, Asma; Boutebdja, Mehdi; Beghidja, Adel; Beghidja, Chahrazed; Merazig, Hocine","Poly[[diaqua-bis-(μ2-4,4'-bipyrid-yl)cobalt(II)] dinitrate tetra-hydrate].","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","m177","8","10.1107/S1600536813005230","","","0.71073","MoKα","","0.0327","0.0297","","","0.0802","0.0828","","","","","","1.053","","","","has coordinates","245608","2020-10-21","18:00:00",""
"2311137","9.4259","0.0007","10.2028","0.0007","44.721","0.003","94.711","0.002","94.096","0.002","107.359","0.002","4070.2","0.5","90","0.5","90","0.5","","","","","","","","3","P -1","-P 1","2","","4-(1-Allyl-4,5-diphenyl-1<i>H</i>-imidazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","","- C26 H25 N3 -","- C26 H25 N3 -","- C208 H200 N24 -","8","4","SJ5302","Akkurt, Mehmet; Fronczek, Frank R.; Mohamed, Shaaban K.; Talybov, Avtandil H.; Marzouk, Adel A. E.; Abdelhamid, Antar A.","4-(1-Allyl-4,5-diphenyl-1H-imidazol-2-yl)-N,N-dimethyl-aniline.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o527","8","10.1107/S1600536813006326","","","1.54184","CuKα","","0.0441","0.0432","","","0.1169","0.1179","","","","","","1.027","","","","has coordinates","245609","2020-10-21","18:00:00",""
"2311138","8.2662","0.0008","9.6378","0.001","11.6224","0.0013","99.927","0.005","93.7","0.005","101.178","0.005","890.16","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-Bromo-2-(diethoxymethyl)phenyl benzoate","","- C18 H19 Br O4 -","- C18 H19 Br O4 -","- C36 H38 Br2 O8 -","2","1","BT6892","Sharmila, P.; Suresh Kumar, C.; Maheshwaran, S.; Narasimhan, S.; Aravindhan, S.","4-Bromo-2-(dieth-oxy-meth-yl)phenyl benzoate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o553","","10.1107/S1600536813006351","","","0.71073","MoKα","","0.0615","0.0336","","","0.0762","0.085","","","","","","1.01","","","","has coordinates","245610","2020-10-21","18:00:00",""
"2311139","6.172","0.0002","7.5616","0.0003","9.9216","0.0004","100.562","0.003","99.821","0.003","102.279","0.004","434.07","0.03","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Aminomethylpyrimidiniumphosphate","2-Amino-4-methylpyrimidinium dihydrogen phosphate","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C10 H20 N6 O8 P2 -","2","1","DS2227","Thomas, Sajesh P.; Sunkari, Jyothi","2-Amino-4-methyl-pyrimidinium dihydrogen phosphate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o529","","10.1107/S160053681300648X","","","0.71073","MoKα","","0.034","0.0305","","","0.0865","0.0879","","","","","","1.078","","","","has coordinates","245611","2020-10-21","18:00:00",""
"2311140","21.069","0.018","6.063","0.005","18.727","0.016","90","","107.159","0.013","90","","2286","3","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4^1^-(1,2,4-Oxadiazole-3,5-diyl)bis(4,1-phenylene) dibenzoate","4-[5-(4-Benzoyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl benzoate","","- C28 H18 N2 O5 -","- C28 H18 N2 O5 -","- C112 H72 N8 O20 -","4","1","SJ5303","Manjunath, B. C.; Madan Kumar, S.; Vinay Kumar, K. S.; Prabhuswamy, M.; Sadashiva, M. P.; Lokanath, N. K.","4-[5-(4-Benzoyl-oxyphen-yl)-1,2,4-oxa-diazol-3-yl]phenyl benzoate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o543","","10.1107/S1600536813006922","","","0.71073","MoKα","","0.127","0.0678","","","0.1595","0.1905","","","","","","1.033","","","","has coordinates","245612","2020-10-21","18:00:00",""
"2311141","13.442","0.0018","8.0015","0.001","14.2416","0.0018","90","","90","","90","","1531.8","0.3","130","2","130","2","","","","","","","","3","P n a 21","P 2c -2n","33","","9-(2-Hydroxy-6-oxocyclohex-1-en-1-yl)-2,3,4,9-tetrahydro-1<i>H</i>-xanthen-1-one","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","NK2202","Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antar A.; Saeed, Aamer; Flörke, Ulrich","9-(2-Hy-droxy-6-oxocyclo-hex-1-en-1-yl)-2,3,4,9-tetra-hydro-1H-xanthen-1-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o616","7","10.1107/S1600536813007952","","","0.71073","MoKα","","0.0458","0.0433","","","0.1088","0.111","","","","","","1.057","","","","has coordinates","245613","2020-10-21","18:00:00",""
"2311142","10.2741","0.0006","10.28","0.0006","15.8581","0.0008","90","","102.073","0.005","90","","1637.85","0.16","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","14-Bromo-12-chloro-2,16-dioxapentacyclo[7.7.5.0^1,21^.0^3,8^.0^10,15^]henicosa-3(8),10,12,14-tetraene-7,20-dione","","- C19 H16 Br Cl O4 -","- C19 H16 Br Cl O4 -","- C76 H64 Br4 Cl4 O16 -","4","1","HB7072","Kennedy, Alan R.; Akkurt, Mehmet; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Marzouk, Adel A. E.","14-Bromo-12-chloro-2,16-dioxa-penta-cyclo-[7.7.5.0(1,21).0(3,8).0(10,15)]henicosa-3(8),10,12,14-tetra-ene-7,20-dione.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 5","o769","70","10.1107/S1600536813010374","","","0.71073","MoKα","","0.0911","0.0581","","","0.119","0.1339","","","","","","1.044","","","","has coordinates","245614","2020-10-21","18:00:00",""
"2311143","12.0727","0.0006","7.5934","0.0003","16.8355","0.0008","90","","104.087","0.005","90","","1496.95","0.12","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","carbazole","7-Methyl-1-phenyl-1,10-dihydropyrazolo[3,4-<i>a</i>]carbazole","","- C20 H15 N3 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","BG2506","Archana, R.; Yamuna, E.; Thiruvalluvar, A.; Rajendra Prasad, K. J.; Butcher, R. J.; Gupta, Sushil K.; Oztürk Yildirim, Sema","7-Methyl-1-phenyl-1,10-di-hydro-pyrazolo-[3,4-a]carbazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 5","o801","","10.1107/S1600536813010994","","","0.71073","MoKα","","0.0806","0.0514","","","0.0988","0.1152","","","","","","1.034","","","","has coordinates","245615","2020-10-21","18:00:00",""
"2311144","11.953","0.004","5.981","0.002","14.142","0.005","90","","105.548","0.006","90","","974","0.6","273","","273","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-Methyl-3-phenylisoxazole-4-carboxylic acid","","- C11 H9 N O3 -","- C11 H9 N O3 -","- C44 H36 N4 O12 -","4","1","BG2504","Chandra, ?; Srikantamurthy, N.; Vishalakshi, G. J.; Jeyaseelan, S.; Umesha, K. B.; Mahendra, M.","5-Methyl-3-phenyl-isoxazole-4-carb-oxy-lic acid.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o897","","10.1107/S1600536813011410","","","0.71073","MoKα","","0.0416","0.0385","","","0.1069","0.1108","","","","","","1.046","","","","has coordinates","245616","2020-10-21","18:00:00",""
"2311145","20.172","0.006","15.947","0.005","14.5","0.005","90","","105.293","0.007","90","","4499","2","150","","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2,6-Dichlorophenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole","","- C26 H24 Cl2 N2 -","- C26 H24 Cl2 N2 -","- C208 H192 Cl16 N16 -","8","2","SU2592","Akkurt, Mehmet; Mohamed, Shaaban K.; Singh, Kuldip; Marzouk, Adel A.; Abdelhamid, Antar A.","2-(2,6-Di-chloro-phen-yl)-1-pentyl-4,5-diphenyl-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o846","7","10.1107/S1600536813011446","","","0.71073","MoKα","","0.1067","0.054","","","0.0858","0.0981","","","","","","0.842","","","","has coordinates","245617","2020-10-21","18:00:00",""
"2311146","7.8659","0.0001","8.5151","0.0001","25.1137","0.0004","90","","98.133","0.002","90","","1665.17","0.04","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","carbazole","10-Methyl-2-oxo-4-phenyl-2,11-dihydropyrano[2,3-<i>a</i>]carbazole-3-carbonitrile","","- C23 H14 N2 O2 -","- C23 H14 N2 O2 -","- C92 H56 N8 O8 -","4","1","SJ5318","Thiruvalluvar, A.; Yamuna, E.; Archana, R.; Rajendra Prasad, K. J.; Butcher, R. J.","10-Methyl-2-oxo-4-phenyl-2,11-di-hydro-pyrano[2,3-a]carbazole-3-carbo-nitrile.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o831","","10.1107/S1600536813011823","","","0.71073","MoKα","","0.0632","0.0531","","","0.1486","0.1542","","","","","","1.164","","","","has coordinates","245618","2020-10-21","18:00:00",""
"2311147","14.2226","0.0006","13.0856","0.0005","7.3801","0.0003","90","","94.151","0.004","90","","1369.92","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-{(<i>E</i>)-[(2-Fluoro-5-nitrophenyl)imino]methyl}naphthalen-2-ol","","- C17 H11 F N2 O3 -","- C17 H11 F N2 O3 -","- C68 H44 F4 N8 O12 -","4","1","SJ5319","Kennedy, Alan R.; Akkurt, Mehmet; Abdelhamid, Antar A.; Mohamed, Shaaban K.; Miller, Gary J.","1-{(E)-[(2-Fluoro-5-nitro-phen-yl)imino]-meth-yl}naphthalen-2-ol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o850","1","10.1107/S1600536813012099","","","0.71073","MoKα","","0.0697","0.0523","","","0.1249","0.1349","","","","","","1.067","","","","has coordinates,has disorder","245619","2020-10-21","18:00:00",""
"2311148","7.6731","0.0008","8.4348","0.0009","10.5806","0.0012","80.6107","0.0018","75.8216","0.0019","63.3573","0.0016","592.31","0.11","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","6-[(2,4-Dimethylanilino)methylidene]-2-hydroxycyclohexa-2,4-dienone","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C30 H30 N2 O4 -","2","1","HB7078","Shujah, Shaukat; Ali, Saqib; Zia-Ur-Rehman, ?; Tahir, M. Nawaz; Meetsma, Auke","6-[(2,4-Di-methyl-anilino)methyl-idene]-2-hy-droxy-cyclo-hexa-2,4-dienone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o871","","10.1107/S1600536813012233","","","0.71073","MoKα","","0.0458","0.043","","","0.1189","0.1227","","","","","","1.089","","","","has coordinates","245620","2020-10-21","18:00:00",""
"2311149","10.0916","0.0007","13.1386","0.0009","15.6155","0.001","72.924","0.001","86.849","0.001","71.83","0.001","1879","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Chlorophenyl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1<i>H</i>-imidazole","","- C24 H19 Cl N2 -","- C24 H19 Cl N2 -","- C96 H76 Cl4 N8 -","4","2","HG5314","Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A. E.; Santoyo-Gonzalez, Francisco; Elremaily, Mahmoud A. A.","2-(4-Chloro-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o875","6","10.1107/S1600536813012592","","","0.71073","MoKα","","0.046","0.0405","","","0.1017","0.1062","","","","","","1.066","","","","has coordinates","245621","2020-10-21","18:00:00",""
"2311150","7.7844","0.0018","11.251","0.002","22.039","0.006","90","","98.199","0.008","90","","1910.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","7-Bromo-3,3-dibutyl-8-methoxy-2,3-dihydrobenzo[<i>b</i>][1,4]thiazepin-4(5<i>H</i>)-one","","- C18 H26 Br N O2 S -","- C18 H26 Br N O2 S -","- C72 H104 Br4 N4 O8 S4 -","4","1","HB7081","Deepu, C. V.; Manjula, M.; Pampa, K. J.; Bhadregowda, D. G.; Lokanath, N. K.","7-Bromo-3,3-dibutyl-8-meth-oxy-2,3-di-hydro-1,5-benzothia-zepin-4(5H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1129","","10.1107/S1600536813013238","","","0.71073","MoKα","","0.0966","0.0476","","","0.1216","0.1405","","","","","","1.031","","","","has coordinates","245622","2020-10-21","18:00:00",""
"2311151","10.409","0.005","10.054","0.005","18.428","0.005","90","","94.85","0.005","90","","1921.6","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Bromophenyl)-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5<i>H</i>-cyclohepta[<i>b</i>]pyridine","","- C23 H22 Br N O -","- C23 H22 Br N O -","- C92 H88 Br4 N4 O4 -","4","1","RZ5059","Celik, Ismail; Akkurt, Mehmet; Gezegen, Hayreddin; Kazak, Canan","2-(4-Bromo-phen-yl)-4-(4-meth-oxy-phen-yl)-6,7,8,9-tetra-hydro-5H-cyclo-hepta-[b]pyridine.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o956","","10.1107/S1600536813013913","","","0.71073","MoKα","","0.0799","0.0596","","","0.1097","0.1187","","","","","","1.117","","","","has coordinates","245623","2020-10-21","18:00:00",""
"2311152","10.362","0.003","8.938","0.002","19.387","0.005","90","","90.34","0.005","90","","1795.5","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,4,5-Triphenyl-1-(prop-2-en-1-yl)-1<i>H</i>-imidazole","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","ZP2005","Akkurt, Mehmet; Mohamed, Shaaban K.; Marzouk, Adel A. E.; Abbasov, V. M.; Santoyo-Gonzalez, Francisco","2,4,5-Triphenyl-1-(prop-2-en-1-yl)-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o988","9","10.1107/S1600536813014104","","","0.71073","MoKα","","0.0783","0.0619","","","0.1676","0.1825","","","","","","1.04","","","","has coordinates,has disorder","245624","2020-10-21","18:00:00",""
"2311153","9.75","0.008","14.589","0.013","9.397","0.008","90","","116.872","0.013","90","","1192.3","1.8","273","","273","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-methyl-3-phenylisoxazole-4-carboxylate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","NC2309","Chandra, ?; Raghu, K.; Jeyaseelan, S.; Umesha, K. B.; Mahendra, M.","Ethyl 5-methyl-3-phenyl-isoxazole-4-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 6","o987","","10.1107/S160053681301427X","","","0.71073","MoKα","","0.083","0.0536","","","0.1595","0.1861","","","","","","0.989","","","","has coordinates","245625","2020-10-21","18:00:00",""
"2311154","15.228","0.004","15.215","0.004","17.641","0.004","90","","110.974","0.004","90","","3816.5","1.7","296","","296","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-(4,5-Diphenyl-1<i>H</i>-imidazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline","","- C23 H21 N3 -","- C23 H21 N3 -","- C184 H168 N24 -","8","2","ZS2260","Prabhuswamy, M.; Viveka, S.; Madan Kumar, S.; Nagaraja, G. K.; Lokanath, N. K.","4-(4,5-Diphenyl-1H-imidazol-2-yl)-N,N-di-methyl-aniline.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1006","","10.1107/S160053681301444X","","","0.71073","MoKα","","0.1301","0.07","","","0.1468","0.1745","","","","","","1.024","","","","has coordinates","245626","2020-10-21","18:00:00",""
"2311155","10.3311","0.0019","16.83","0.003","7.3374","0.0014","90","","97.518","0.003","90","","1264.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-Bromomethyl-6-<i>tert</i>-butyl-2<i>H</i>-chromen-2-one","","- C14 H15 Br O2 -","- C14 H15 Br O2 -","- C56 H60 Br4 O8 -","4","1","GK2575","Nagarajaiah, H.; Puttaraju, K. B.; Shivashankar, K.; Begum, Noor Shahina","4-Bromo-methyl-6-tert-butyl-2H-chromen-2-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1056","","10.1107/S1600536813015511","","","0.71073","MoKα","","0.0606","0.0408","","","0.0949","0.1069","","","","","","1.051","","","","has coordinates","245627","2020-10-21","18:00:00",""
"2311156","23.2993","0.0014","10.9282","0.0005","22.3632","0.0011","90","","133.032","0.003","90","","4162.2","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-[1-(4-Bromophenyl)-3-hydroxy-3-(4-methoxyphenyl)propyl]cyclohexanol","","- C22 H27 Br O3 -","- C22 H27 Br O3 -","- C176 H216 Br8 O24 -","8","1","SJ5331","Celik, Ismail; Akkurt, Mehmet; Gezegen, Hayreddin; Uremiş, Muhammed M; Duteanu, Narcis","2-[1-(4-Bromo-phen-yl)-3-hy-droxy-3-(4-meth-oxy-phen-yl)prop-yl]cyclo-hexa-nol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1091","2","10.1107/S1600536813015869","","","0.71073","MoKα","","0.1276","0.0676","","","0.1696","0.1984","","","","","","1.031","","","","has coordinates","245628","2020-10-21","18:00:00",""
"2311157","8.3117","0.0014","10.5217","0.0017","13.425","0.002","105.938","0.002","101.846","0.002","107.772","0.002","1020.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(2,5-Dimethoxyphenyl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1<i>H</i>-imidazole","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C52 H48 N4 O4 -","2","1","BX2444","Akkurt, Mehmet; Mohamed, Shaaban K.; Marzouk, Adel A.; Abdelhamid, Antar A.; Santoyo-Gonzalez, Francisco","2-(2,5-Di-meth-oxy-phen-yl)-4,5-diphenyl-1-(prop-2-en-1-yl)-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1098","9","10.1107/S1600536813015936","","","0.71073","MoKα","","0.0641","0.0469","","","0.1117","0.1248","","","","","","1.046","","","","has coordinates","245629","2020-10-21","18:00:00",""
"2311158","15.705","0.005","14.888","0.005","17.589","0.006","90","","105.151","0.004","90","","3970","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Prop-2-en-1-yl 4-(4,5-diphenyl-1<i>H</i>-imidazol-2-yl)benzoate","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C200 H160 N16 O16 -","8","2","HG5323","Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Abdelhamid, Antar A.; Santoyo-Gonzalez, Francisco","Prop-2-en-1-yl 4-(4,5-diphenyl-1H-imidazol-2-yl)benzoate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1105","6","10.1107/S160053681301619X","","","0.71073","MoKα","","0.0899","0.0576","","","0.1263","0.1485","","","","","","1.016","","","","has coordinates,has disorder","245630","2020-10-21","18:00:00",""
"2311159","8.984","0.004","6.056","0.003","15.248","0.006","90","","95.357","0.006","90","","826","0.6","273","","273","","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(1,3-Benzodioxol-5-yl)-3-phenylquinazolin-4(3<i>H</i>)-one","","- C21 H14 N2 O3 -","- C21 H14 N2 O3 -","- C42 H28 N4 O6 -","2","1","FK2072","Chandra, ?; Raghavendra, G. M.; Jeyaseelan, S.; Mantelingu, K.; Mahendra, M.","2-(1,3-Benzodioxol-5-yl)-3-phenyl-quinazolin-4(3H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1113","","10.1107/S1600536813016346","","","0.71073","MoKα","","0.0497","0.0401","","","0.0947","0.1006","","","","","","1.042","","","","has coordinates","245631","2020-10-21","18:00:00",""
"2311160","5.2727","0.0005","9.7977","0.0009","15.238","0.0015","102.229","0.007","95.732","0.008","92.332","0.007","763.94","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Chloro-<i>N</i>'-cyclohexylidene-3-methyl-1<i>H</i>-indole-2-carbohydrazide","","- C16 H18 Cl N3 O -","- C16 H18 Cl N3 O -","- C32 H36 Cl2 N6 O2 -","2","1","SJ5335","Akkurt, Mehmet; Zopun, Muhammet; Capan, Gültaze; Büyükgüngör, Orhan","5-Chloro-N'-cyclo-hexyl-idene-3-methyl-1H-indole-2-carbohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 7","o1137","","10.1107/S1600536813016899","","","0.71073","MoKα","","0.1025","0.0527","","","0.1105","0.1289","","","","","","1.012","","","","has coordinates","245632","2020-10-21","18:00:00",""
"2311161","17.8961","0.0005","8.0768","0.0002","6.8871","0.0002","90","","90","","90","","995.48","0.05","296","","296","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Tetraammine(carbonato-κ^2^<i>O</i>,<i>O</i>')cobalt(III) perchlorate","","- C H12 Cl Co N4 O7 -","- C H12 Cl Co N4 O7 -","- C4 H48 Cl4 Co4 N16 O28 -","4","0.5","LH5627","Mohan, Singaravelu Chandra; Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas; Jothivenkatachalam, Kandasamy","Tetraammine(carbonato-κ(2) O,O')cobalt(III) perchlorate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","i45","i46","10.1107/S1600536813018187","","","0.71073","MoKα","","0.0525","0.0417","","","0.143","0.1528","","","","","","1.153","","","","has coordinates","245633","2020-10-21","18:00:00",""
"2311162","10.471","0.002","9.7798","0.0019","21.682","0.004","90","","91.08","0.004","90","","2219.9","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Chlorophenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole","","- C26 H25 Cl N2 -","- C26 H25 Cl N2 -","- C104 H100 Cl4 N8 -","4","1","YK2095","Mohamed, Shaaban K.; Akkurt, Mehmet; Singh, Kuldip; Marzouk, Adel A.; Abdelhamid, Antar A.","2-(4-Chloro-phen-yl)-1-pentyl-4,5-di-phenyl-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1243","","10.1107/S1600536813018229","","","0.71073","MoKα","","0.0952","0.053","","","0.0976","0.1096","","","","","","0.887","","","","has coordinates","245634","2020-10-21","18:00:00",""
"2311163","16.979","0.009","9.407","0.005","7.034","0.004","90","","103.927","0.011","90","","1090.5","1","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","2-(4-Oxo-3-phenyl-1,3-thiazolidin-2-ylidene)propanedinitrile","","- C12 H7 N3 O S -","- C12 H7 N3 O S -","- C48 H28 N12 O4 S4 -","4","1","HG5329","Akkurt, Mehmet; El-Saghier, Ahmed M M; Younes, Sabry H. H.; Horton, Peter N.; Albayati, Mustafa R.","2-(4-Oxo-3-phenyl-1,3-thia-zolidin-2-yl-idene)propanedi-nitrile.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1313","","10.1107/S1600536813018308","","","0.71075","MoKα","","0.0228","0.0224","","","0.0606","0.0608","","","","","","1.075","","","","has coordinates","245635","2020-10-21","18:00:00",""
"2311164","22.6986","0.0011","22.6986","0.0011","8.448","0.0005","90","","90","","90","","4352.6","0.4","296","2","296","2","","","","","","","","5","I -4","I -4","82","","5-Fluoro-3-phenyl-<i>N</i>'-(4-propylcyclohexylidene)-1<i>H</i>-indole-2-carbohydrazide","","- C24 H26 F N3 O -","- C24 H26 F N3 O -","- C192 H208 F8 N24 O8 -","8","1","HB7101","Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Büyükgüngör, Orhan","5-Fluoro-3-phenyl-N'-(4-propyl-cyclo-hexyl-idene)-1H-indole-2-carbohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1202","","10.1107/S1600536813018333","","","0.71073","MoKα","","0.0681","0.0465","","","0.0853","0.0922","","","","","","1.032","","","","has coordinates","245636","2020-10-21","18:00:00",""
"2311165","9.4394","0.001","22.206","0.003","9.433","0.0009","90","","107.172","0.003","90","","1889.1","0.4","300","","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-[(4-Benzyl-1<i>H</i>-1,2,3-triazol-1-yl)methyl]-5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepine","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","1","HB7099","Manjunath, B. C.; Vinay Kumar, K. S.; Madan Kumar, S.; Sadashiva, M. P.; Lokanath, N. K.","5-[(4-Benzyl-1H-1,2,3-triazol-1-yl)meth-yl]-5H-dibenzo[b,f]azepine.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1233","","10.1107/S1600536813018412","","","0.71073","MoKα","","0.0579","0.0451","","","0.1167","0.1235","","","","","","1.005","","","","has coordinates","245637","2020-10-21","18:00:00",""
"2311166","11.663","0.0006","13.532","0.0007","14.7754","0.0008","112.967","0.004","95.936","0.004","111.385","0.004","1915.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","5-Fluoro-<i>N</i>'-(4-methylcyclohexylidene)-3-phenyl-1<i>H</i>-indole-2-carbohydrazide","","- C22 H22 F N3 O -","- C22 H22 F N3 O -","- C88 H88 F4 N12 O4 -","4","2","SJ5341","Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Capan, Gültaze; Büyükgüngör, Orhan","5-Fluoro-N'-(4-methyl-cyclo-hexyl-idene)-3-phenyl-1H-indole-2-carbohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1211","2","10.1107/S1600536813018436","","","0.71073","MoKα","","0.0881","0.0569","","","0.1302","0.1443","","","","","","1.025","","","","has coordinates","245638","2020-10-21","18:00:00",""
"2311167","13.2082","0.0018","13.2082","0.0018","23.584","0.004","90","","90","","120","","3563.2","0.9","296","2","296","2","","","","","","","","6","P 65","P 65","170","","5-Fluoro-<i>N</i>-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1<i>H</i>-indole-2-carboxamide","","- C24 H24 F N3 O2 S -","- C24 H24 F N3 O2 S -","- C144 H144 F6 N18 O12 S6 -","6","1","QM2099","Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Büyükgüngör, Orhan","5-Fluoro-N-(2-methyl-3-oxo-1-thia-4-aza-spiro-[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1229","","10.1107/S1600536813018576","","","0.71073","MoKα","","0.0701","0.0419","","","0.0911","0.1002","","","","","","0.958","","","","has coordinates","245639","2020-10-21","18:00:00",""
"2311168","7.8117","0.0005","17.1953","0.0012","9.9003","0.0007","90","","106.756","0.001","90","","1273.39","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(5-methoxy-2-methyl-1<i>H</i>-indol-3-yl)acetate","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","SU2618","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","Ethyl 2-(5-meth-oxy-2-methyl-1H-indol-3-yl)acetate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1242","","10.1107/S1600536813018618","","","0.71073","MoKα","","0.0519","0.0441","","","0.111","0.1168","","","","","","1.075","","","","has coordinates","245640","2020-10-21","18:00:00",""
"2311169","8.6121","0.0015","10.6579","0.0015","14.328","0.003","90","","92.58","0.003","90","","1313.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 3-amino-5-anilino-4-cyanothiophene-2-carboxylate","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","1","PV2639","El-Saghier, Ahmed M M; Akkurt, Mehmet; Mohamed, Shaaban K.; Horton, Peter N.; Albayati, Mustafa R.","Ethyl 3-amino-5-anilino-4-cyano-thio-phene-2-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1244","5","10.1107/S1600536813018734","","","0.71075","MoKα","","0.044","0.0384","","","0.085","0.0881","","","","","","1.069","","","","has coordinates","245641","2020-10-21","18:00:00",""
"2311170","9.4952","0.0009","7.4845","0.0007","34.692","0.003","90","","90","","90","","2465.5","0.4","150","","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Phenyl-1,2,4-triazaspiro[4.5]dec-1-ene-3-thione","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C104 H120 N24 S8 -","8","1","TK5237","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","4-Phenyl-1,2,4-tri-aza-spiro-[4.5]dec-1-ene-3-thione.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1259","","10.1107/S1600536813019120","","","0.71073","MoKα","","0.0458","0.0415","","","0.1016","0.1044","","","","","","1.099","","","","has coordinates","245642","2020-10-21","18:00:00",""
"2311171","7.6018","0.0005","11.9648","0.0007","14.0877","0.0009","106.425","0.001","104.7","0.002","106.296","0.001","1099.75","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Methyl 5-(4-acetoxyphenyl)-2-(2-bromobenzylidine)-7-methyl-3-oxo-2,3-dihydro-5<i>H</i>-1,3-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylate","","- C24 H19 Br N2 O5 S -","- C24 H19 Br N2 O5 S -","- C48 H38 Br2 N4 O10 S2 -","2","1","LH5628","Fathima, Nikhath; Nagarajaiah, H.; Begum, Noor Shahina","Methyl 5-(4-acet-oxy-phen-yl)-2-(2-bromo-benzyl-idine)-7-methyl-3-oxo-2,3-di-hydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1262","","10.1107/S1600536813019132","","","0.71073","MoKα","","0.0525","0.0393","","","0.0915","0.096","","","","","","1.048","","","","has coordinates","245643","2020-10-21","18:00:00",""
"2311172","7.7571","0.0001","8.3277","0.0001","11.2965","0.0001","82.283","0.007","75.839","0.007","66.823","0.006","649.87","0.04","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","2,2'-[Ethane-1,2-diylbis(oxy)]dibenzaldehyde","","- C16 H14 O4 -","- C16 H14 O4 -","- C32 H28 O8 -","2","1","BT6920","Akkurt, Mehmet; Mohamed, Shaaban K.; Horton, Peter N.; Abdel-Raheem, Eman M M; Albayati, Mustafa R.","2,2'-[Ethane-1,2-diylbis(-oxy)]dibenz-alde-hyde.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1260","","10.1107/S1600536813019156","","","0.71075","MoKα","","0.0407","0.0394","","","0.0997","0.1007","","","","","","1.068","","","","has coordinates","245644","2020-10-21","18:00:00",""
"2311173","11.7063","0.0009","20.2301","0.0016","9.5419","0.0008","90","","99.725","0.002","90","","2227.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-Methoxyphenyl)-2-[4-(trifluromethyl)phenyl]-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole","","- C29 H19 F3 N2 O -","- C29 H19 F3 N2 O -","- C116 H76 F12 N8 O4 -","4","1","BV2223","Mohandas, T.; Sathishkumar, R.; Jayabharathi, J.; Pasupathi, A.; Sakthivel, P.","1-(4-Meth-oxy-phen-yl)-2-[4-(tri-fluoro-meth-yl)phen-yl]-1H-phenanthro[9,10-d]imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1293","4","10.1107/S1600536813019351","","","0.71073","MoKα","","0.0733","0.0451","","","0.1063","0.1238","","","","","","1.011","","","","has coordinates","245645","2020-10-21","18:00:00",""
"2311174","12.201","0.005","13.429","0.005","13.932","0.005","90.47","0.007","110.099","0.006","107.321","0.006","2030.9","1.3","300","","300","","","","","","","","","4","P -1","-P 1","2","","(<i>E</i>)-2-(4-Isobutylphenyl)-<i>N</i>'-[1-(4-nitrophenyl)ethylidene]propanohydrazide","","- C21 H25 N3 O3 -","- C21 H25 N3 O3 -","- C84 H100 N12 O12 -","4","2","GK2579","Manjunath, B. C.; Madan Kumar, S.; Vinayaka, A. C.; Jayasheelan, S.; Sadashiva, M. P.; Lokanath, N. K.","A triclinic polymorph of (E)-2-(4-iso-butyl-phen-yl)-N'-[1-(4-nitro-phen-yl)ethyl-idene]propano-hydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1333","","10.1107/S1600536813019892","","","0.71073","MoKα","","0.1356","0.0679","","","0.1571","0.1934","","","","","","1.021","","","","has coordinates","245646","2020-10-21","18:00:00",""
"2311175","6.0793","0.0006","18.879","0.002","8.575","0.0009","90","","100.747","0.005","90","","966.9","0.17","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","1,3-Bis[(5-aminofuran-2-yl)methyl]-3,4,5,6-tetrahydropyrimidin-1-ium hexafluorophosphate","","- C16 H21 F6 N2 O2 P -","- C16 H21 F6 N2 O2 P -","- C32 H42 F12 N4 O4 P2 -","2","0.5","HG5332","Akkurt, Mehmet; Akkoç, Senem; Gök, Yetkin; Tahir, Muhammad Nawaz","1,3-Bis[(5-amino-furan-2-yl)meth-yl]-3,4,5,6-tetra-hydro-pyrimidin-1-ium hexa-fluoro-phosphate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1325","","10.1107/S1600536813020187","","","0.71073","MoKα","","0.1077","0.0767","","","0.2139","0.2473","","","","","","1.075","","","","has coordinates","245647","2020-10-21","18:00:00",""
"2311176","7.937","0.0008","10.7587","0.0011","11.9325","0.0013","94.922","0.002","97.436","0.002","95.383","0.002","1000.95","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(1<i>Z</i>,2<i>E</i>)-1-(3,4-Diphenyl-2,3-dihydro-1,3-thiazol-2-ylidene)-2-(1-<i>p</i>-tolylethylidene)hydrazine","","- C24 H21 N3 S -","- C24 H21 N3 S -","- C48 H42 N6 S2 -","2","1","XU5722","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","(1Z,2E)-1-(3,4-Diphenyl-2,3-di-hydro-1,3-thia-zol-2-yl-idene)-2-(1-p-tolyl-ethyl-idene)hydrazine.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1324","","10.1107/S1600536813020254","","","0.71073","MoKα","","0.0477","0.0429","","","0.1138","0.1186","","","","","","1.062","","","","has coordinates","245648","2020-10-21","18:00:00",""
"2311177","11.8121","0.0005","13.3802","0.0005","15.5693","0.0006","114.328","0.003","95.642","0.003","110.434","0.003","2014.85","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","<i>N</i>'-(4-Ethylcyclohexylidene)-5-fluoro-3-phenyl-1<i>H</i>-indole-2-carbohydrazide","","- C23 H24 F N3 O -","- C23 H24 F N3 O -","- C92 H96 F4 N12 O4 -","4","2","SJ5346","Akkurt, Mehmet; Celikesir, Sevim Türktekin; Ustündağ, Gökçe Cihan; Capan, Gültaze; Büyükgüngör, Orhan","N'-(4-Ethyl-cyclo-hexyl-idene)-5-fluoro-3-phenyl-1H-indole-2-carbohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1331","","10.1107/S1600536813020394","","","0.71073","MoKα","","0.0988","0.0665","","","0.1607","0.1797","","","","","","1.023","","","","has coordinates,has disorder","245649","2020-10-21","18:00:00",""
"2311178","19.4157","0.0005","7.6564","0.0002","27.404","0.0007","90","","90","","90","","4073.72","0.18","273","","273","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","[4-(4-Methoxyphenyl)-2-(pyridin-3-yl)-1,3-thiazol-5-yl][4-(trifluoromethyl)phenyl]methanone","","- C23 H15 F3 N2 O2 S -","- C23 H15 F3 N2 O2 S -","- C184 H120 F24 N16 O16 S8 -","8","1","SU2625","Pampa, K. J.; Abdoh, M. M. M.; Swaroop, T. R.; Rangappa, K. S.; Lokanath, N. K.","[4-(4-Meth-oxy-phen-yl)-2-(pyridin-3-yl)-1,3-thia-zol-5-yl][4-(tri-fluoro-meth-yl)phen-yl]methanone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1434","","10.1107/S1600536813021259","","","1.54178","CuKα","","0.0568","0.0551","","","0.1597","0.1621","","","","","","1.051","","","","has coordinates","245650","2020-10-21","18:00:00",""
"2311179","8.3713","0.0012","21.568","0.003","21.591","0.003","90","","96.411","0.002","90","","3873.9","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl (2<i>Z</i>)-((2<i>Z</i>)-2-{(2<i>E</i>)-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)ethanoate","","- C21 H19 N3 O3 S -","- C21 H19 N3 O3 S -","- C168 H152 N24 O24 S8 -","8","2","LH5636","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; Hassan, Alaa A.; Albayati, Mustafa R.","Methyl (2Z)-((2Z)-2-{(2E)-[1-(4-methyl-phen-yl)ethyl-idene]hydrazinyl-idene}-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene)ethano-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1401","2","10.1107/S1600536813021533","","","0.71073","MoKα","","0.0568","0.0436","","","0.1036","0.1123","","","","","","1.054","","","","has coordinates","245651","2020-10-21","18:00:00",""
"2311180","6.506","0.0003","11.8417","0.0004","14.1794","0.0005","104.385","0.002","97.905","0.002","99.549","0.002","1025.07","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","2-(3,5-Dioxo-4-azatricyclo[5.2.1.0^2,6^]dec-8-en-4-yl)acetic acid","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","2","HB7113","Akkurt, Mehmet; Jarrahpour, Aliasghar; Shirvani, Pouria; Tahir, Muhammad Nawaz","2-(3,5-Dioxo-4-aza-tri-cyclo-[5.2.1.0(2,6)]dec-8-en-4-yl)acetic acid.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1404","","10.1107/S1600536813021764","","","0.71073","MoKα","","0.05","0.04","","","0.099","0.1065","","","","","","1.033","","","","has coordinates","245652","2020-10-21","18:00:00",""
"2311181","9.1198","0.0004","15.4226","0.0005","10.7584","0.0004","90","","108.546","0.005","90","","1434.6","0.1","223","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Benzhydryl-1,3,4-thiadiazole-2(3<i>H</i>)-thione","","- C15 H12 N2 S2 -","- C15 H12 N2 S2 -","- C60 H48 N8 S8 -","4","1","TK5245","Thornton, Megan T.; Healy, Peter C.; Henderson, Luke C.","3-Benzhydryl-1,3,4-thia-diazole-2(3H)-thione.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1407","","10.1107/S1600536813021867","","","0.7107","MoKα","","0.0526","0.0433","","","0.1031","0.1079","","","","","","1.134","","","","has coordinates","245653","2020-10-21","18:00:00",""
"2311182","10.665","0.005","9.619","0.005","21.541","0.01","90","","91.092","0.009","90","","2209.4","1.9","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(4-Bromophenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole","","- C26 H25 Br N2 -","- C26 H25 Br N2 -","- C104 H100 Br4 N8 -","4","1","SU2633","Mohamed, Shaaban K.; Akkurt, Mehmet; Singh, Kuldip; Marzouk, Adel A.; Albayati, Mustafa R.","2-(4-Bromo-phen-yl)-1-pentyl-4,5-diphenyl-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1417","","10.1107/S1600536813021983","","","0.71073","MoKα","","0.1288","0.0655","","","0.0979","0.1158","","","","","","0.876","","","","has coordinates","245654","2020-10-21","18:00:00",""
"2311183","5.774","0.0002","14.9402","0.0006","19.2441","0.0007","106.06","0.001","93.459","0.001","92.653","0.001","1588.96","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(4<i>E</i>)-4-[(2-Hydroxyanilino)methylidene]-1-phenylpyrazolidine-3,5-dione dimethyl sulfoxide hemisolvate","","- C17 H16 N3 O3.5 S0.5 -","- C17 H16 N3 O3.5 S0.5 -","- C68 H64 N12 O14 S2 -","4","2","HG5338","Akkurt, Mehmet; Mohamed, Shaaban K.; Elremaily, Mahmoud A. A.; Ahmed, Eman A.; Albayati, Mustafa R.","(4E)-4-[(2-Hy-droxy-anilino)methyl-idene]-1-phenyl-pyrazolidine-3,5-dione dimethyl sulfoxide hemisolvate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1408","9","10.1107/S1600536813022034","","","0.71073","MoKα","","0.0596","0.044","","","0.1046","0.1122","","","","","","1.015","","","","has coordinates","245655","2020-10-21","18:00:00",""
"2311184","8.2786","0.0009","10.1194","0.0011","11.7739","0.0013","93.001","0.002","108.993","0.002","105.578","0.002","887.75","0.17","150","","150","2","","","","","","","","4","P -1","-P 1","2","","2-(5-Methoxy-2-methyl-1<i>H</i>-indol-3-yl)-<i>N</i>'-[(1<i>E</i>,2<i>E</i>)-3-phenylprop-2-en-1-ylidene]acetohydrazide","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C42 H42 N6 O4 -","2","1","QM2100","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Albayati, Mustafa R.; El-Remaily, Mahmoud A A","2-(5-Meth-oxy-2-methyl-1H-indol-3-yl)-N'-[(1E,2E)-3-phenyl-prop-2-en-1-yl-idene]acetohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 9","o1493","","10.1107/S1600536813023805","","","0.71073","MoKα","","0.0555","0.0448","","","0.1183","0.1264","","","","","","1.077","","","","has coordinates","245656","2020-10-21","18:00:00",""
"2311185","7.17","0.003","7.809","0.003","16.357","0.006","90","","93.301","0.006","90","","914.3","0.6","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(2<i>R</i>*,4<i>R</i>*,7<i>S</i>*,10<i>R</i>*,12<i>R</i>*)-3,11,13,15-Tetraoxapentacyclo[5.5.3.0^1,7^.0^2,4^.0^10,12^]pentadeca-5,8-dien-14-one","","- C11 H8 O5 -","- C11 H8 O5 -","- C44 H32 O20 -","4","1","IS5298","Mehta, Goverdhan; Sen, Saikat; Kumar, C. S. Ananda","(2R*,4R*,7S*,10R*,12R*)-3,11,13,15-Tetra-oxa-penta-cyclo-[5.5.3.0(1,7).0(2,4).0(10,12)]penta-deca-5,8-dien-14-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1504","5","10.1107/S1600536813023817","","","0.71073","MoKa","","0.0927","0.0717","","","0.1522","0.1616","","","","","","1.175","","","","has coordinates","245657","2020-10-21","18:00:00",""
"2311186","20.94","0.003","13.76","0.003","7.2852","0.0011","90","","96.369","0.004","90","","2086.2","0.6","273","","273","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-Trifluoromethyl-10<i>H</i>-benzo[4,5]imidazo[1,2-<i>a</i>]pyrimidin-4-one","","- C11 H6 F3 N3 O -","- C11 H6 F3 N3 O -","- C88 H48 F24 N24 O8 -","8","1","FF2117","Chandra, ?; Puttaraju, K. B.; Shivashankar, K.; Jithesh Babu, E. A.; Mahendra, M.","2-Tri-fluoro-methyl-10H-benzo[4,5]imidazo[1,2-a]pyrimidin-4-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1536","","10.1107/S160053681302401X","","","0.71073","MoKα","","0.055","0.0495","","","0.1374","0.1429","","","","","","1.057","","","","has coordinates","245658","2020-10-21","18:00:00",""
"2311187","18.6794","0.0011","7.5477","0.0004","15.5196","0.0008","90","","103.622","0.005","90","","2126.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,5-diketone","1,5-Bis(4-chlorophenyl)-3-(4-methylphenyl)pentane-1,5-dione","","- C24 H20 Cl2 O2 -","- C24 H20 Cl2 O2 -","- C96 H80 Cl8 O8 -","4","1","JJ2174","Chithiravel, R.; Thiruvalluvar, A.; Muthusubramanian, S.; Butcher, R. J.","1,5-Bis(4-chloro-phen-yl)-3-(4-methyl-phen-yl)pentane-1,5-dione.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1508","9","10.1107/S1600536813024355","","","0.71073","MoKα","","0.0555","0.0495","","","0.1407","0.1461","","","","","","1.072","","","","has coordinates","245659","2020-10-21","18:00:00",""
"2311188","11.0031","0.0003","12.5937","0.0003","13.0787","0.0003","90","","100.255","0.002","90","","1783.36","0.08","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6-Chloro-3-[(dimethylamino)methylidene]thiochroman-4-one","","- C12 H12 Cl N O S -","- C12 H12 Cl N O S -","- C72 H72 Cl6 N6 O6 S6 -","6","3","PV2641","Khan, Ashraf Y.; Fathima, Nikhath; Kalashetti, Mallikarjun B.; Begum, Noor Shahina; Khazi, I. M.","6-Chloro-3-[(di-methyl-amino)-methyl-idene]thio-chroman-4-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1521","","10.1107/S1600536813024550","","","0.71073","MoKα","","0.0506","0.0385","","","0.0808","0.0874","","","","","","1.011","","","","has coordinates","245660","2020-10-21","18:00:00",""
"2311189","7.6235","0.0003","10.5652","0.0004","13.1177","0.0004","103.344","0.002","95.025","0.002","108.221","0.002","961.78","0.06","296","","296","","","","","","","","","4","P -1","-P 1","2","","1-{3-(4-Methylphenyl)-5-[5-(2-nitrophenyl)furan-2-yl]-4,5-dihydro-1<i>H</i>-pyrazol-1-yl}ethanone","","- C22 H19 N3 O4 -","- C22 H19 N3 O4 -","- C44 H38 N6 O8 -","2","1","HB7133","Vinutha, N.; Madan Kumar, S.; Vidyashree Jois, B. S.; Balakrishna, Kalluraya; Lokanath, N. K.; Revannasiddaiah, D.","1-{3-(4-Methyl-phen-yl)-5-[5-(2-nitro-phen-yl)furan-2-yl]-4,5-di-hydro-1H-pyrazol-1-yl}ethanone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1528","","10.1107/S1600536813024690","","","1.54178","CuKα","","0.1061","0.0839","","","0.2164","0.2417","","","","","","1.056","","","","has coordinates","245661","2020-10-21","18:00:00",""
"2311190","12.3821","0.0004","17.8077","0.0007","14.5112","0.0005","90","","90.013","0.002","90","","3199.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Amino[(1<i>H</i>-benzimidazol-2-yl)amino]methaniminium 4-methylbenzenesulfonate","","- C15 H17 N5 O3 S -","- C15 H17 N5 O3 S -","- C120 H136 N40 O24 S8 -","8","2","SJ5349","Mohamed, Shaaban K.; Akkurt, Mehmet; Elremaily, Mahmoud A. A.; Ali, Ali M.; Albayati, Mustafa R.","Amino-[(1H-benzimidazol-2-yl)amino]-methaniminium 4-methyl-benzene-sulfonate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1543","4","10.1107/S1600536813024975","","","0.71073","MoKα","","0.0683","0.0436","","","0.0995","0.1087","","","","","","1.046","","","","has coordinates","245662","2020-10-21","18:00:00",""
"2311191","7.7043","0.0004","16.377","0.0008","17.7482","0.0009","90","","90","","90","","2239.3","0.2","293","","293","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(4-Hydroxy-3-methylphenyl)(phenyl)methanone","","- C14 H12 O2 -","- C14 H12 O2 -","- C112 H96 O16 -","8","1","IS5303","Dileep, C. S.; Lakshmi Ranganatha, V.; Lokanath, N. K.; Shaukath, A. K.; Sridhar, M. A.","(4-Hy-droxy-3-methyl-phen-yl)(phen-yl)methanone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1550","","10.1107/S160053681302521X","","","1.54178","CuKα","","0.0538","0.0455","","","0.1227","0.1289","","","","","","1.025","","","","has coordinates","245663","2020-10-21","18:00:00",""
"2311192","9.5049","0.0009","20.656","0.002","10.1364","0.001","90","","107.637","0.001","90","","1896.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Methyl 2-((2<i>Z</i>,5<i>Z</i>)-2-{(<i>E</i>)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazin-1-ylidene}-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)acetate","","- C20 H17 N3 O4 S -","- C20 H17 N3 O4 S -","- C80 H68 N12 O16 S4 -","4","1","GK2589","Mohamed, Shaaban K.; Mague, Joel T.; Akkurt, Mehmet; Hassan, Alaa A.; Albayati, Mustafa R.","Methyl 2-((2Z,5Z)-2-{(E)-2-[1-(4-hy-droxy-phen-yl)ethyl-idene]hydrazin-1-yl-idene}-4-oxo-3-phenyl-1,3-thia-zolidin-5-yl-idene)acetate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1553","4","10.1107/S1600536813025270","","","0.71073","MoKα","","0.0546","0.0441","","","0.1105","0.1182","","","","","","1.057","","","","has coordinates","245664","2020-10-21","18:00:00",""
"2311193","14.2855","0.0015","13.7461","0.0012","18.4","0.002","90","","90","","90","","3613.2","0.6","123","","123.3","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","12-(2-Hydroxy-6-oxocyclohex-1-enyl)-9,10-dihydro-8<i>H</i>-benzo[<i>a</i>]xanthen-11(12<i>H</i>)-one","","- C23 H20 O4 -","- C23 H20 O4 -","- C184 H160 O32 -","8","1","SJ5351","Akkurt, Mehmet; Mohamed, Shaaban K.; Kennedy, Alan R.; Abdelhamid, Antar A.; Miller, Gary J.; Albayati, Mustafa R.","12-(2-Hy-droxy-6-oxo-cyclo-hex-1-en-yl)-9,10-di-hydro-8H-benzo[a]xanthen-11(12H)-one.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1558","9","10.1107/S1600536813025324","","","0.7107","MoKα","","0.0752","0.0511","","","0.102","0.1142","","","","","","1.037","","","","has coordinates,has disorder","245665","2020-10-21","18:00:00",""
"2311194","7.9622","0.0005","11.2672","0.0007","11.637","0.0007","96.273","0.001","94.386","0.001","96.302","0.001","1027.31","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","(2<i>E</i>)-4-(4-Bromophenyl)-2-{(2<i>Z</i>)-[1-(4-methylphenyl)ethylidene]hydrazinylidene}-3-phenyl-2,3-dihydro-1,3-thiazole","","- C24 H20 Br N3 S -","- C24 H20 Br N3 S -","- C48 H40 Br2 N6 S2 -","2","1","XU5739","Mohamed, Shaaban K.; Akkurt, Mehmet; Mague, Joel T.; Hassan, Alaa A.; Albayati, Mustafa R.","(2E)-4-(4-Bromo-phen-yl)-2-{(2Z)-[1-(4-methyl-phen-yl)ethyl-idene]hydrazinyl-idene}-3-phenyl-2,3-di-hydro-1,3-thia-zole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1563","4","10.1107/S1600536813025506","","","0.71073","MoKα","","0.0434","0.0366","","","0.0941","0.0973","","","","","","1.094","","","","has coordinates","245666","2020-10-21","18:00:00",""
"2311195","16.0231","0.0004","7.4216","0.0002","19.6843","0.0005","90","","90","","90","","2340.8","0.1","295","","295","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-Chloro-2-(2-chlorobenzoyl)phenol","","- C13 H8 Cl2 O2 -","- C13 H8 Cl2 O2 -","- C104 H64 Cl16 O16 -","8","1","TK5253","Bushra Begum, A.; Madan Kumar, S.; Manjunath, B. C.; Khanum, Shaukath Ara; Lokanath, N. K.","4-Chloro-2-(2-chloro-benzoyl)phenol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1568","","10.1107/S1600536813025609","","","1.54178","CuKα","","0.0799","0.0371","","","0.0995","0.1045","","","","","","1.058","","","","has coordinates","245667","2020-10-21","18:00:00",""
"2311196","9.0074","0.0006","15.7781","0.0014","11.3083","0.0007","90","","99.052","0.005","90","","1587.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-[(<i>E</i>)-(Morpholin-4-ylimino)methyl]-6-(morpholin-4-ylmethyl)phenol","","- C16 H23 N3 O3 -","- C16 H23 N3 O3 -","- C64 H92 N12 O12 -","4","1","TK5257","Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Aberi, Mahdi; Büyükgüngör, Orhan","2-[(E)-(Morpholin-4-yl-imino)-meth-yl]-6-(morpholin-4-ylmeth-yl)phenol.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1571","","10.1107/S160053681302566X","","","0.71073","MoKα","","0.1146","0.0579","","","0.1046","0.1227","","","","","","1.031","","","","has coordinates","245668","2020-10-21","18:00:00",""
"2311197","5.1506","0.0006","15.334","0.002","22.965","0.005","90","","90","","90","","1813.8","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(<i>E</i>)-<i>N</i>-(1,3-Benzodioxol-5-yl)-1-(4-{[1-(prop-2-en-1-yl)-1<i>H</i>-1,2,3-triazol-4-yl]methoxy}phenyl)methanimine","","- C20 H18 N4 O3 -","- C20 H18 N4 O3 -","- C80 H72 N16 O12 -","4","1","HB7140","Akkurt, Mehmet; Jarrahpour, Aliasghar; Chermahini, Mehdi Mohammadi; Shiri, Pezhman; Büyükgüngör, Orhan","(E)-N-(1,3-Benzodioxol-5-yl)-1-(4-{[1-(prop-2-en-1-yl)-1H-1,2,3-triazol-4-yl]meth-oxy}phen-yl)methanimine.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 10","o1576","","10.1107/S1600536813025749","","","0.71073","MoKα","","0.096","0.0463","","","0.0883","0.1032","","","","","","0.903","","","","has coordinates","245669","2020-10-21","18:00:00",""
"2311198","7.1894","0.0002","10.4055","0.0003","12.4403","0.0004","107.983","0.002","92.451","0.002","97.882","0.002","873.24","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","<i>N</i>'-[(<i>E</i>)-4-Methoxybenzylidene]-2-(5-methoxy-2-methyl-1<i>H</i>-indol-3-yl)-acetohydrazide","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C40 H42 N6 O6 -","2","1","SJ5357","Akkurt, Mehmet; Mague, Joel T.; Mohamed, Shaaban K.; Abelhamid, Antar A.; Albayati, Mustafa R.","N'-[(E)-4-Meth-oxy-benzyl-idene]-2-(5-meth-oxy-2-methyl-1H-indol-3-yl)acetohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 11","o1660","1","10.1107/S1600536813027050","","","1.54178","CuKα","","0.0457","0.0356","","","0.0835","0.0899","","","","","","1.037","","","","has coordinates","245670","2020-10-21","18:00:00",""
"2311199","13.1198","0.0005","16.1282","0.0006","16.3659","0.0006","90","","95.507","0.001","90","","3447","0.2","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Di-μ-acetato-κ^4^<i>O</i>:<i>O</i>'-bis[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(trifluoromethanesulfonato-κ<i>O</i>)copper(II)]","","- C30 H22 Cu2 F6 N4 O10 S2 -","- C30 H22 Cu2 F6 N4 O10 S2 -","- C120 H88 Cu8 F24 N16 O40 S8 -","4","0.5","IM2439","Wannarit, Nanthawat; Pakawatchai, Chaveng; Youngme, Sujittra","Di-μ-acetato-κ(4) O:O'-bis-[(1,10-phenanthroline-κ(2) N,N')(tri-fluoro-methane-sulfonato-κO)copper(II)].","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 11","m591","2","10.1107/S1600536813027323","","","0.71073","MoKα","","0.0415","0.0344","","","0.0955","0.1016","","","","","","1.038","","","","has coordinates","245671","2020-10-21","18:00:00",""
"2311200","10.7039","0.0014","12.9341","0.0017","17.478","0.002","77.343","0.002","82.865","0.002","70.373","0.002","2220.4","0.5","273","","273","","","","","","","","","5","P -1","-P 1","2","","5-Methyl-1,3-diphenyl-<i>N</i>-(5-phenyl-1,3,4-thiadiazol-2-yl)-1<i>H</i>-pyrazole-4-carboxamide","","- C25 H19 N5 O S -","- C25 H19 N5 O S -","- C100 H76 N20 O4 S4 -","4","2","HB7148","Chandra, ?; Mahesh, S. S.; Srikantamurthy, N.; Umesha, K. B.; Palani, K.; Mahendra, M.","5-Methyl-1,3-diphenyl-N-(5-phenyl-1,3,4-thia-diazol-2-yl)-1H-pyrazole-4-carboxamide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1736","","10.1107/S1600536813028766","","","0.71073","MoKα","","0.0749","0.0488","","","0.1175","0.1329","","","","","","1.024","","","","has coordinates","245673","2020-10-21","18:00:00",""
"2311201","7.2786","0.001","11.5055","0.0016","27.22","0.004","90","","90","","90","","2279.5","0.6","296","","296","","","","","","","","","4","P c a 21","P 2c -2ac","29","","1-[5-Methyl-1-(4-nitrophenyl)-1<i>H</i>-1,2,3-triazol-4-yl]ethanone","","- C11 H10 N4 O3 -","- C11 H10 N4 O3 -","- C88 H80 N32 O24 -","8","2","IS5313","Vinutha, N.; Madan Kumar, S.; Nithinchandra, ?; Balakrishna, Kalluraya; Lokanath, N. K.; Revannasiddaiah, D.","1-[5-Methyl-1-(4-nitro-phen-yl)-1H-1,2,3-triazol-4-yl]ethanone.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 11","o1724","","10.1107/S1600536813029425","","","1.54178","CuKα","","0.0532","0.0457","","","0.1317","0.1381","","","","","","1.075","","","","has coordinates","245674","2020-10-21","18:00:00",""
"2311202","22.399","0.015","11.18","0.008","8.19","0.006","90","","97.378","0.012","90","","2034","2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","<i>N</i>'-Benzoyl-5-methyl-1,3-diphenyl-1<i>H</i>-pyrazole-4-carbohydrazide","","- C24 H20 N4 O2 -","- C24 H20 N4 O2 -","- C96 H80 N16 O8 -","4","1","PK2500","Chandra, ?; Srikantamurthy, N.; Kumar, Shamantha; Doreswamy, B. H.; Umesha, K. B.; Mahendra, M.","N'-Benzoyl-5-methyl-1,3-diphenyl-1H-pyrazole-4-carbohydrazide.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1769","","10.1107/S1600536813029528","","","0.71073","MoKα","","0.056","0.0404","","","0.0946","0.1038","","","","","","1.041","","","","has coordinates","245675","2020-10-21","18:00:00",""
"2311203","11.2936","0.0013","12.0531","0.0015","10.965","0.0013","90","","112.971","0.005","90","","1374.2","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Oxo-3-phenylpropyl)piperidinium chloride","","- C14 H20 Cl N O -","- C14 H20 Cl N O -","- C56 H80 Cl4 N4 O4 -","4","1","XU5748","Anuradha, Venkatramu; Madan Kumar, S.; Siddaraju, B. P.; Lokanath, N. K.; Nagendra, P.","1-(3-Oxo-3-phenyl-prop-yl)piperidinium chloride.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1748","","10.1107/S1600536813029887","","","1.54178","CuKα","","0.0953","0.0521","","","0.1225","0.1301","","","","","","1.087","","","","has coordinates","245676","2020-10-21","18:00:00",""
"2311204","11.4339","0.001","11.714","0.0012","14.4527","0.0013","90","","98.61","0.004","90","","1913.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-5<i>H</i>-dibenzo[<i>b,f</i>]azepine","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","1","SU2664","Manjunath, B. C.; Kumar, K. S. Vinay; Kumar, S. Madan; Sadashiva, M. P.; Lokanath, N. K.","5-[(1-Benzyl-1H-1,2,3-triazol-4-yl)meth-yl]-5H-dibenzo[b,f]azepine.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1763","","10.1107/S1600536813030547","","","1.54178","CuKα","","0.0536","0.0472","","","0.1293","0.135","","","","","","1.058","","","","has coordinates,has disorder","245677","2020-10-21","18:00:00",""
"2311205","5.8319","0.0003","12.3759","0.0006","13.5707","0.0006","86.484","0.002","80.098","0.002","78.671","0.002","945.69","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-2-methyl-5-oxo-2,5-dihydro-1<i>H</i>-pyrrole-2-carboxylate","","- C20 H18 Cl2 N2 O3 -","- C20 H18 Cl2 N2 O3 -","- C40 H36 Cl4 N4 O6 -","2","1","SJ5367","Akkurt, Mehmet; Mohamed, Shaaban K.; Elremaily, Mahmoud A. A.; Santoyo-Gonzalez, Francisco; Albayati, Mustafa R.","Ethyl 4-(4-chloro-anilino)-1-(4-chloro-phen-yl)-2-methyl-5-oxo-2,5-di-hydro-1H-pyrrole-2-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1761","2","10.1107/S1600536813030560","","","0.71073","MoKα","","0.0689","0.0447","","","0.0965","0.1072","","","","","","1.016","","","","has coordinates","245678","2020-10-21","18:00:00",""
"2311206","7.803","0.0015","8.275","0.0016","8.3596","0.0016","100.945","0.008","92.379","0.008","105.911","0.007","507.15","0.17","296","","296","","","","","","","","","5","P -1","-P 1","2","","5-[(2-Methyl-4-nitro-1<i>H</i>-imidazol-1-yl)methyl]-1,3,4-thiadiazol-2-amine","","- C7 H8 N6 O2 S -","- C7 H8 N6 O2 S -","- C14 H16 N12 O4 S2 -","2","1","HB7159","Usha, M. K.; Madan Kumar, S.; Vidyashree Jois, H. S.; Kalluraya, B.; Lokanath, N. K.; Revannasiddaiah, D.","5-[(2-Methyl-4-nitro-1H-imidazol-1-yl)meth-yl]-1,3,4-thia-diazol-2-amine.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1825","","10.1107/S1600536813030821","","","1.54178","CuKα","","0.0849","0.0836","","","0.2028","0.2062","","","","","","1.098","","","","has coordinates","245679","2020-10-21","18:00:00",""
"2311207","9.1832","0.0011","9.7082","0.001","14.1415","0.0016","90","","104.26","0.01","90","","1221.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methoxy-3-(trimethylsilyl)phenylboronic acid","","- C10 H17 B O3 Si -","- C10 H17 B O3 Si -","- C40 H68 B4 O12 Si4 -","4","1","TK5273","Durka, Krzysztof; Luliński, Sergiusz; Serwatowski, Janusz","2-Meth-oxy-3-(tri-methyl-sil-yl)phenyl-boronic acid.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1818","","10.1107/S1600536813031656","","","0.71073","MoKα","","0.0509","0.0339","","","0.0936","0.0969","","","","","","1.015","","","","has coordinates","245680","2020-10-21","18:00:00",""
"2311208","8.9","0.002","11.915","0.003","12.009","0.003","106.757","0.006","96.007","0.005","108.17","0.006","1131.8","0.5","150","","150","2","","","","","","","","4","P -1","-P 1","2","","2-(3,4-Dimethoxyphenyl)-1-pentyl-4,5-diphenyl-1<i>H</i>-imidazole","","- C28 H30 N2 O2 -","- C28 H30 N2 O2 -","- C56 H60 N4 O4 -","2","1","SJ5371","Mohamed, Shaaban K.; Akkurt, Mehmet; Marzouk, Adel A.; Singh, Kuldip; Albayati, Mustafa R.","2-(3,4-Di-meth-oxy-phen-yl)-1-pentyl-4,5-diphenyl-1H-imidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1833","4","10.1107/S1600536813031759","","","0.71073","MoKα","","0.1073","0.058","","","0.108","0.1267","","","","","","0.873","","","","has coordinates","245681","2020-10-21","18:00:00",""
"2311209","9.1129","0.0006","9.5116","0.0006","13.7914","0.0008","90.978","0.003","101.749","0.002","93.449","0.003","1167.72","0.13","296","","296","","","","","","","","","6","P -1","-P 1","2","","1-(4-Methylphenylsulfonyl)-2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl}-1<i>H</i>-1,3-benzimidazole","","- C23 H20 F3 N3 O3 S2 -","- C23 H20 F3 N3 O3 S2 -","- C46 H40 F6 N6 O6 S4 -","2","1","XU5751","Shivaprasad, C. M.; Kumar, S. Madan; Swaroop, T. R.; Rangappa, K. S.; Lokanath, N. K.","1-(4-Methyl-phenyl-sulfon-yl)-2-{[3-methyl-4-(2,2,2-tri-fluoro-eth-oxy)pyridin-2-yl]methyl-sulfan-yl}-1H-1,3-benzimidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1846","","10.1107/S1600536813031899","","","1.54178","CuKα","","0.0548","0.0497","","","0.1383","0.1435","","","","","","1.082","","","","has coordinates","245682","2020-10-21","18:00:00",""
"2311210","15.7027","0.0006","4.8543","0.0002","33.5974","0.0013","90","","92.539","0.003","90","","2558.47","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dimethyl (2<i>Z</i>)-2-[4-((1<i>Z</i>)-1-{2-[(2<i>Z</i>,5<i>Z</i>)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]hydrazin-1-ylidene}ethyl)anilino]but-2-enedioate","","- C26 H24 N4 O7 S -","- C26 H24 N4 O7 S -","- C104 H96 N16 O28 S4 -","4","1","SJ5373","Mohamed, Shaaban K.; Akkurt, Mehmet; Mague, Joel T.; Hassan, Alaa A.; Albayati, Mustafa R.","Dimethyl (2Z)-2-[4-((1Z)-1-{2-[(2Z,5Z)-5-(2-meth-oxy-2-oxo-ethyl-idene)-4-oxo-3-phenyl-1,3-thia-zolidin-2-yl-idene]hydra-zin-1-yl-idene}eth-yl)anilino]but-2-ene-dio-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1844","5","10.1107/S1600536813032042","","","1.54178","CuKα","","0.1147","0.0699","","","0.1373","0.1561","","","","","","1.029","","","","has coordinates,has disorder","245683","2020-10-21","18:00:00",""
"2311211","8.5305","0.0007","14.2102","0.0011","7.8803","0.0006","90","","104.381","0.0011","90","","925.32","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,2'-[(1,3,4-Thiadiazole-2,5-diyl)bis(sulfanediyl)]diacetonitrile","","- C6 H4 N4 S3 -","- C6 H4 N4 S3 -","- C24 H16 N16 S12 -","4","1","HG5363","Mague, Joel T.; Akkurt, Mehmet; Mohamed, Shaaban K.; El-Saghier, Ahmed M M; Albayati, Mustafa R.","2,2'-[(1,3,4-Thia-diazole-2,5-di-yl)bis-(sulfanedi-yl)]diaceto-nitrile.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1855","","10.1107/S1600536813032194","","","0.71073","MoKα","","0.0343","0.0288","","","0.0695","0.0743","","","","","","1.054","","","","has coordinates","245684","2020-10-21","18:00:00",""
"2311256","7.633","0.002","14.455","0.004","16.504","0.004","90","","90","","90","","1821","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O3 -","- C21 H26 N2 O3 -","- C84 H104 N8 O12 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0273","0.026","","","0.0664","0.0676","","","","","","1.057","","","","has coordinates","245732","2020-10-21","18:00:00",""
"2311257","12.056","0.004","19.225","0.007","6.519","0.002","90","","90","","90","","1511","0.9","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C18 H25 O2.5 -","- C18 H25 O2.5 -","- C72 H100 O10 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0267","0.0267","","","0.068","0.068","","","","","","1.104","","","","has coordinates","245733","2020-10-21","18:00:00",""
"2311258","5.094","0.002","7.745","0.002","15.941","0.002","90","","90","","90","","628.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O3 -","- C5 H10 N2 O3 -","- C20 H40 N8 O12 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54184","CuKα","","0.0244","0.0243","","","0.0636","0.0636","","","","","","1.143","","","","has coordinates","245734","2020-10-21","18:00:00",""
"2311259","8.54","0.002","11.086","0.002","17.344","0.003","90","","90","","90","","1642","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C84 H88 N8 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0258","0.0251","","","0.0659","0.0667","","","","","","1.064","","","","has coordinates","245735","2020-10-21","18:00:00",""
"2311260","8.513","0.002","11.527","0.002","17.855","0.004","90","","90","","90","","1752.1","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 N3 -","- C21 H29 N3 -","- C84 H116 N12 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0247","0.0247","","","0.0647","0.0647","","","","","","1.105","","","","has coordinates","245736","2020-10-21","18:00:00",""
"2311261","5.791","0.002","5.944","0.002","12.269","0.002","90","","90","","90","","422.3","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0217","0.0215","","","0.0594","0.0598","","","","","","1.145","","","","has coordinates","245737","2020-10-21","18:00:00",""
"2311262","11.25751","0.00006","15.43442","0.00009","22.52516","0.00013","90","","90","","90","","3913.82","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N6 O -","- C19 H26 N6 O -","- C152 H208 N48 O8 -","8","2","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54184","CuKα","","0.041","0.0406","","","0.1107","0.1112","","","","","","1.032","","","","has coordinates,has disorder","245738","2020-10-21","18:00:00",""
"2311263","6.816","0.002","8.446","0.003","21.186","0.007","90","","90","","90","","1219.6","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O -","- C14 H19 N O -","- C56 H76 N4 O4 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0277","0.0275","","","0.0684","0.0686","","","","","","1.094","","","","has coordinates","245739","2020-10-21","18:00:00",""
"2311264","8.529","0.002","12.793","0.003","12.018","0.003","90","","94.386","0.011","90","","1307.5","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 -","- C16 H18 N2 -","- C64 H72 N8 -","4","2","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0288","0.0285","","","0.0712","0.0716","","","","","","1.056","","","","has coordinates","245740","2020-10-21","18:00:00",""
"2311265","11.7721","0.0004","11.7721","0.0004","8.0824","0.0003","90","","90","","120","","970.02","0.06","100","2","100","2","","","","","","","","3","P 32","P 32","145","","","","- C16 H18 N2 -","- C16 H18 N2 -","- C48 H54 N6 -","3","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0283","0.0283","","","0.0748","0.0748","","","","","","1.145","","","","has coordinates","245741","2020-10-21","18:00:00",""
"2311266","12.094","0.004","12.094","0.004","8.551","0.003","90","","90","","120","","1083.1","0.6","100","2","100","2","","","","","","","","3","P 31","P 31","144","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C57 H54 N6 -","3","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0319","0.0319","","","0.083","0.083","","","","","","1.1","","","","has coordinates","245742","2020-10-21","18:00:00",""
"2311267","6.0196","0.0002","12.7041","0.0004","21.6151","0.0004","90","","90","","90","","1652.98","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 -","- C21 H22 N2 -","- C84 H88 N8 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0264","0.0262","","","0.0663","0.0665","","","","","","1.082","","","","has coordinates","245743","2020-10-21","18:00:00",""
"2311268","8.695","0.003","10.114","0.003","15.544","0.005","90","","90","","90","","1367","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0251","0.0251","","","0.0655","0.0656","","","","","","1.106","","","","has coordinates","245744","2020-10-21","18:00:00",""
"2311269","8.414","0.001","13.76","0.002","19.299","0.002","90","","90","","90","","2234.4","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0251","0.0245","","","0.0606","0.0612","","","","","","1.05","","","","has coordinates","245745","2020-10-21","18:00:00",""
"2311270","11.375","0.003","10.878","0.003","19.501","0.003","90","","104.237","0.011","90","","2338.9","1","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C27 H48 -","- C27 H48 -","- C108 H192 -","4","2","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54178","CuKα","","0.0286","0.0285","","","0.0743","0.0744","","","","","","1.068","","","","has coordinates","245746","2020-10-21","18:00:00",""
"2311271","11.25467","0.00007","15.43831","0.00008","22.51824","0.00011","90","","90","","90","","3912.61","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 N6 O -","- C19 H26 N6 O -","- C152 H208 N48 O8 -","8","2","","Parsons, Simon; Flack, Howard D.; Wagner, Trixie","Use of intensity quotients and differences in absolute structure refinement.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2013","69","Pt 3","249","259","10.1107/S2052519213010014","","","1.54184","CuKα","","0.0421","0.0411","","","0.1102","0.1113","","","","","","1.031","","","","has coordinates,has disorder","245747","2020-10-21","18:00:00",""
"2311606","8.6704","0.0008","11.0052","0.001","16.3277","0.0015","107.425","0.002","98.036","0.002","91.517","0.002","1468","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","<i>N^2^</i>,<i>N^2'^</i>-bis[2-(morpholin-4-yl)propyl]- <i>N^1^</i>,<i>N</i>^1'^-(1,2-phenylene)dioxalamide dimethyl sulfoxide monosolvate","","- C26 H42 N6 O7 S -","- C26 H42 N6 O7 S -","- C52 H84 N12 O14 S2 -","2","1","SF3181","González-González, Juan Saulo; Padilla-Martínez, Itzia I; García-Báez, Efrén V; Franco-Hernández, Olivia; Martínez-Martínez, Francisco J","Helical supramolecular assembly of N2,N2')bis[3-(morpholin-4-yl)propyl]-N1,N1'-(1,2-phenylene)dioxalamide dimethyl sulfoxide monosolvate.","Acta crystallographica. Section C, Crystal structure communications","2013","69","Pt 1","66","69","10.1107/S010827011204365X","","","0.71073","MoKα","","0.0452","0.0401","","","0.0945","0.0989","","","","","","1.038","","","","has coordinates,has disorder","246020","2020-10-21","18:00:00",""
"2311607","14.6558","0.0017","11.6017","0.0013","27.148","0.004","90","","103.662","0.0014","90","","4485.4","1","198","","198","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","{Tris[3-(adamantan-1-yl)-5-isopropylpyrazol-1-yl-κ<i>N</i>^2^]hydroborato}thallium(I)","","- C48 H70 B N6 Tl -","- C48 H70 B N6 Tl -","- C192 H280 B4 N24 Tl4 -","4","1","","Fujisawa, Kiyoshi; Takisawa, Hideyuki","{Tris[3-(adamantan-1-yl)-5-isopropylpyrazol-1-yl-κN(2)]hydroborato}thallium(I): the scorpionate with the most bulk?","Acta crystallographica. Section C, Crystal structure communications","2013","69","Pt 9","986","989","10.1107/S0108270113021677","","","0.71075","MoKα","","","0.0289","","","","0.124","","","","","","0.988","","","","has coordinates","246021","2020-10-21","18:00:00",""
"2311608","12.9137","0.0006","14.6324","0.0004","10.3114","0.0004","90","","99.484","0.004","90","","1921.79","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-Phenyl (<i>N</i>-methylcyclohexylamido)(<i>p</i>-tolylamido)phosphinate","","- C20 H27 N2 O2 P -","- C20 H27 N2 O2 P -","- C80 H108 N8 O8 P4 -","4","1","LG3117","Pourayoubi, Mehrdad; Karimi Ahmadabad, Fatemeh; Eshtiagh-Hosseini, Hossein; Kučeráková, Monika; Eigner, Václav; Dušek, Michal","New rac-XP(O)(OC6H5)(NHC6H4-p-CH3) [X = N(CH3)(cyclo-C6H11) and NH(C3H5)] and rac-(C6H5CH2NH)P(O)(OC6H5)(NH-cyclo-C6H11) mixed-amide phosphinates.","Acta crystallographica. Section C, Crystal structure communications","2013","69","Pt 10","1181","1185","10.1107/S010827011302341X","","","1.5418","CuKα","","0.0476","0.0401","","","0.1063","0.1109","","","","","","1.75","","","","has coordinates","246022","2020-10-21","18:00:00",""
"2311609","5.4168","0.0002","20.3357","0.0009","14.2398","0.0006","90","","97.489","0.003","90","","1555.2","0.11","120","0.14","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","<i>rac</i>-Phenyl (allylamido)(<i>p</i>-tolylamido)phosphinate","","- C16 H19 N2 O2 P -","- C16 H19 N2 O2 P -","- C64 H76 N8 O8 P4 -","4","1","LG3117","Pourayoubi, Mehrdad; Karimi Ahmadabad, Fatemeh; Eshtiagh-Hosseini, Hossein; Kučeráková, Monika; Eigner, Václav; Dušek, Michal","New rac-XP(O)(OC6H5)(NHC6H4-p-CH3) [X = N(CH3)(cyclo-C6H11) and NH(C3H5)] and rac-(C6H5CH2NH)P(O)(OC6H5)(NH-cyclo-C6H11) mixed-amide phosphinates.","Acta crystallographica. Section C, Crystal structure communications","2013","69","Pt 10","1181","1185","10.1107/S010827011302341X","","","1.5418","CuKα","","0.0352","0.0279","","","0.0666","0.0702","","","","","","1.81","","","","has coordinates","246022","2020-10-21","18:00:00",""
"2311610","13.3675","0.0005","8.0189","0.0002","17.4416","0.0006","90","","108.707","0.003","90","","1770.84","0.11","119.8","0.5","119.8","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","<i>rac</i>-Phenyl (benzylamido)(cyclohexylamido)phosphinate","","- C19 H25 N2 O2 P -","- C19 H25 N2 O2 P -","- C76 H100 N8 O8 P4 -","4","1","LG3117","Pourayoubi, Mehrdad; Karimi Ahmadabad, Fatemeh; Eshtiagh-Hosseini, Hossein; Kučeráková, Monika; Eigner, Václav; Dušek, Michal","New rac-XP(O)(OC6H5)(NHC6H4-p-CH3) [X = N(CH3)(cyclo-C6H11) and NH(C3H5)] and rac-(C6H5CH2NH)P(O)(OC6H5)(NH-cyclo-C6H11) mixed-amide phosphinates.","Acta crystallographica. Section C, Crystal structure communications","2013","69","Pt 10","1181","1185","10.1107/S010827011302341X","","","1.5418","CuKα","","0.0334","0.0288","","","0.083","0.0866","","","","","","1.53","","","","has coordinates","246022","2020-10-21","18:00:00",""
"2311611","9.6964","0.0004","11.2487","0.0005","15.7456","0.0007","109.525","0.001","100.572","0.001","98.324","0.001","1551.3","0.12","293","","293","","","","","","","","","6","P -1","-P 1","2","<i>cis</i>-Bis[dicyanidoargentato(I)-κ<i>N</i>]bis(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')cadmium(II) monohydrate","Di-μ-cyanido-1:3κ^2^<i>C</i>:<i>N</i>;2:3κ^2^<i>C</i>:<i>N</i>-\ dicyanido-1κ<i>C</i>,2κ<i>C</i>-bis(5,5'-dimethyl-2,2'-bipyridyl-\ 3κ^2^<i>N</i>,<i>N</i>')cadmium(II)disilver(I) monohydrate","","- C28 H26 Ag2 Cd N8 O -","- C28 H26 Ag2 Cd N8 O -","- C56 H52 Ag4 Cd2 N16 O2 -","2","1","WQ3049","Piromchom, Jureepan; Wannarit, Nanthawat; Pakawatchai, Chaveng; Youngme, Sujittra","The heterometallic cadmium-silver complex cis-bis[dicyanidoargentato(I)-κN]bis(5,5'-dimethyl-2,2'-bipyridyl-κ(2)N,N')cadmium(II) monohydrate.","Acta crystallographica. Section C, Crystal structure communications","2013","69","Pt 10","1136","1139","10.1107/S0108270113025201","","","0.71073","MoKα","","0.0317","0.0264","","","0.0626","0.0652","","","","","","1.033","","","","has coordinates","246023","2020-10-21","18:00:00",""
"2311612","20.781","0.004","9.1981","0.0013","7.3785","0.0016","90","","90","","90","","1410.4","0.5","100","","99.99","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H20 Cl N O2 -","- C14 H20 Cl N O2 -","- C56 H80 Cl4 N4 O8 -","4","1","","Wyss, Sara; Werner, Irmgard A.; Schweizer, W. Bernd; Ametamey, Simon M.; Milicevic Sephton, Selena","Preparation and structural analysis of (±)-threo-ritalinic acid.","Acta crystallographica. Section C, Crystal structure communications","2013","69","Pt 11","1225","1228","10.1107/S010827011302595X","","","0.71073","MoKα","","0.2314","0.0903","","","0.2205","0.3017","","","","","","1.02","","","","has coordinates,has disorder","246024","2020-10-21","18:00:00",""
"2311613","13.495","0.003","5.6335","0.0012","15.721","0.004","90","","109.368","0.008","90","","1127.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(±)-<i>threo</i>-Ritalinic acid","(<i>R</i>,<i>R</i>)-2-Phenyl-2-(piperidin-2-yl)acetic acid","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","FM3004","Wyss, Sara; Werner, Irmgard A.; Schweizer, W. Bernd; Ametamey, Simon M.; Milicevic Sephton, Selena","Preparation and structural analysis of (±)-threo-ritalinic acid.","Acta crystallographica. Section C, Crystal structure communications","2013","69","Pt 11","1225","1228","10.1107/S010827011302595X","","","0.71073","MoKα","","0.1328","0.0652","","","0.1242","0.143","","","","","","1.123","","","","has coordinates","246025","2020-10-21","18:00:00",""
"2311614","18.9215","0.0008","11.5507","0.0005","8.9392","0.0003","90","","93.874","0.003","90","","1949.26","0.14","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(3-Benzylamino-2-oxo-1,2-dihydropyridin-1-yl)-<i>N</i>-(3,4-dichlorobenzyl)acetamide","","- C21 H19 Cl2 N3 O2 -","- C21 H19 Cl2 N3 O2 -","- C84 H76 Cl8 N12 O8 -","4","1","CU3042","Popova, Inessa; Healy, Peter C.; Loughlin, Wendy A.; Karis, N. David; Jenkins, Ian D.","The glycogen phosphorylase inhibitor 2-(3-benzylamino-2-oxo-1,2-dihydropyridin-1-yl)-N-(3,4-dichlorobenzyl)acetamide.","Acta crystallographica. Section C, Crystal structure communications","2013","69","Pt 11","1408","1410","10.1107/S0108270113028631","","","0.7107","MoKα","","0.0833","0.051","","","0.1025","0.1157","","","","","","1.035","","","","has coordinates","246026","2020-10-21","18:00:00",""
"2311615","9.6946","0.0002","10.4874","0.0002","10.6819","0.0002","82.458","0.001","66.951","0.001","81.904","0.001","985.92","0.03","296","","296","","","","","","","","","5","P -1","-P 1","2","","Tetrakis(μ~2~-4-hydroxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[aquacopper(II)] dimethylformamide disolvate dihydrate","","- C34 H42 Cu2 N2 O18 -","- C34 H42 Cu2 N2 O18 -","- C34 H42 Cu2 N2 O18 -","1","0.5","OV3037","Gomathi, Sundaramoorthy; Muthiah, Packianathan Thomas","Supramolecular architecture of metal-organic frameworks involving dinuclear copper paddle-wheel complexes.","Acta crystallographica. Section C, Crystal structure communications","2013","69","Pt 12","1498","1502","10.1107/S0108270113031429","","","0.71073","MoKα","","0.0512","0.0386","","","0.1044","0.1119","","","","","","1.058","","","","has coordinates","246027","2020-10-21","18:00:00",""
"2311616","12.2001","0.0002","18.1548","0.0004","9.2514","0.0002","90","","101.042","0.001","90","","2011.16","0.07","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis(μ-4-methoxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[(dimethylformamide-κ<i>O</i>)copper(II)]","","- C38 H42 Cu2 N2 O14 -","- C38 H42 Cu2 N2 O14 -","- C76 H84 Cu4 N4 O28 -","2","0.5","OV3037","Gomathi, Sundaramoorthy; Muthiah, Packianathan Thomas","Supramolecular architecture of metal-organic frameworks involving dinuclear copper paddle-wheel complexes.","Acta crystallographica. Section C, Crystal structure communications","2013","69","Pt 12","1498","1502","10.1107/S0108270113031429","","","0.71073","MoKα","","0.06","0.0384","","","0.0928","0.1053","","","","","","1.027","","","","has coordinates","246027","2020-10-21","18:00:00",""
"2311624","12.322","0.0003","7.303","0.0002","18.245","0.0003","90","","108.909","0.001","90","","1553.22","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-Methoxyphenyl)-1-phenyl-1<i>H</i>-benzimidazole","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C80 H64 N8 O4 -","4","1","GO2077","Mohandas, T.; Jayamoorthy, K.; Jayabharathi, J.; Sakthivel, P.","2-(4-Meth-oxy-phen-yl)-1-phenyl-1H-benzimidazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 2","o269","70","10.1107/S1600536813001566","","","0.71073","MoKα","","0.0437","0.0347","","","0.0848","0.0924","","","","","","1.034","","","","has coordinates","246038","2020-10-21","18:00:00",""
"2311625","18.1224","0.0017","7.8055","0.0006","12.5057","0.0013","90","","132.207","0.009","90","","1310.3","0.3","301","","301","","","","","","","","","3","C 1 c 1","C -2yc","9","","3-Methyl-1,5-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole","","- C16 H16 N2 -","- C16 H16 N2 -","- C64 H64 N8 -","4","1","HB7053","Manjula, M.; Jayaroopa, P.; Manjunath, B. C.; Ajay Kumar, K.; Lokanath, N. K.","3-Methyl-1,5-diphenyl-4,5-dihydro-1H-pyrazole.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 4","o602","","10.1107/S1600536813007575","","","0.71073","MoKα","","0.0524","0.0373","","","0.1154","0.1307","","","","","","0.905","","","","has coordinates","246039","2020-10-21","18:00:00",""
"2311626","7.8441","0.0006","9.9413","0.0008","10.2846","0.0013","112.058","0.007","98.333","0.008","111.306","0.005","654.69","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","2-Amino-4,6-dimethylpyrimidine‒sorbic acid (1/1)","2-Amino-4,6-dimethylpyrimidine‒sorbic acid (1/1)","","- C12 H17 N3 O2 -","- C12 H17 N3 O2 -","- C24 H34 N6 O4 -","2","1","IS5286","Gomathi, Sundaramoorthy; Muthiah, Packianathan Thomas","2-Amino-4,6-di-methyl-pyrimidine-sorbic acid (1/1).","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1235","","10.1107/S1600536813018175","","","0.71073","MoKα","","0.0917","0.0688","","","0.1835","0.2103","","","","","","1.034","","","","has coordinates","246040","2020-10-21","18:00:00",""
"2311627","8.037","0.002","9.797","0.003","12.51","0.004","72.774","0.016","86.838","0.016","76.804","0.016","915.9","0.5","296","","296","","","","","","","","","5","P -1","-P 1","2","","Ethyl 1,4-bis(4-chlorophenyl)-2-methyl-1<i>H</i>-pyrrole-3-carboxylate","","- C20 H17 Cl2 N O2 -","- C20 H17 Cl2 N O2 -","- C40 H34 Cl4 N2 O4 -","2","1","FB2292","Nandeesh, K. N.; Chandra, ?; Mahendra, M.; Palani, K.; Mantelingu, K.","Ethyl 1,4-bis-(4-chloro-phen-yl)-2-methyl-1H-pyrrole-3-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 8","o1269","","10.1107/S1600536813019247","","","0.71073","MoKα","","0.0745","0.0441","","","0.1068","0.1253","","","","","","1.025","","","","has coordinates","246041","2020-10-21","18:00:00",""
"2311628","5.9071","0.0006","11.3474","0.0012","14.1716","0.0014","111.467","0.002","101.113","0.003","95.328","0.003","853.45","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 4-anilino-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1<i>H</i>-pyrrole-2-carboxylate","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C40 H40 N4 O6 -","2","1","IS5318","Akkurt, Mehmet; Mohamed, Shaaban K.; Elremaily, Mahmoud A. A.; Santoyo-Gonzalez, Francisco; Albayati, Mustafa R.","Ethyl 4-anilino-2-methyl-5-oxo-1-phenyl-2,5-di-hydro-1H-pyrrole-2-carboxyl-ate.","Acta crystallographica. Section E, Structure reports online","2013","69","Pt 12","o1757","8","10.1107/S1600536813030390","","","1.54178","CuKα","","0.0386","0.0368","","","0.0946","0.0962","","","","","","1.036","","","","has coordinates","246042","2020-10-21","18:00:00",""
"3000010","10.21145","0.00007","10.21145","0.00007","42.6958","0.0004","90","","90","","120","","3855.59","0.05","293","","293","","","","","","","","","3","P 61","P 61","169","tetrapotassium pyrophosphate","","","- K4 O7 P2 -","- K4 O7 P2 -","- K72 O126 P36 -","18","3","","Armel Le Bail; Thomas Hansen; Wilson A. Crichton","Tetrapotassium pyrophosphates gamma and delta-K4P2O7","Powder Diffraction","2013","28","","2","12","10.1017/S0885715612000954","powder diffraction","","0.3999","synchrotron","","","","","","","","","3.25","","","","","","","","has coordinates","176718","2020-10-21","18:00:00",""
"3000011","5.9645","0.0003","5.9645","0.0003","14.4972","0.0008","90","","90","","120","","446.65","0.04","570","","570","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","tetrapotassium pyrophosphate","","","- K4 O7 P2 -","- K4 O7 P2 -","- K8 O14 P4 -","2","0.0833333","","Armel Le Bail; Thomas Hansen; Wilson A. Crichton","Tetrapotassium pyrophosphates gamma and delta-K4P2O7","Powder Diffraction","2013","28","","2","12","10.1017/S0885715612000954","powder diffraction","","1.54056","X-ray","","","","","","","","","3.19","","","","","","","","has coordinates","176718","2020-10-21","18:00:00",""
"3000012","6.0117","0.0004","6.0117","0.0004","14.6215","0.0009","90","","90","","120","","457.63","0.05","870","","870","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","tetrapotassium pyrophosphate","","","- K4 O7 P2 -","- K4 O7 P2 -","- K8 O14 P4 -","2","0.0833333","","Armel Le Bail; Thomas Hansen; Wilson A. Crichton","Tetrapotassium pyrophosphates gamma and delta-K4P2O7","Powder Diffraction","2013","28","","2","12","10.1017/S0885715612000954","powder diffraction","","1.54056","X-ray","","","","","","","","","3.21","","","","","","","","has coordinates","176718","2020-10-21","18:00:00",""
"3500015","7.789","0.008","8.743","0.009","10.883","0.012","90","","102.76","0.008","90","","722.8","1.3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O11 -","- C12 H22 O11 -","- C24 H44 O22 -","2","1","","Luca Russo; Saulius Gražulis; Gintautas Bagdziunas","Structure of Sucrose","Personal communication to COD","2013","","","","","","","","0.71075","MoKα","","","0.0289","","","","0.0684","","","","","","1.051","","","","has coordinates,has Fobs","176722","2020-10-21","18:00:00",""
"4001713","27.282","0.0009","17.7669","0.0006","18.6716","0.0006","90","","96.77","0.003","90","","8987.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 N2 S4 Sn -","- C28 H42 N2 S4 Sn -","- C336 H504 N24 S48 Sn12 -","12","1.5","","Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul","Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD)","Chemistry of Materials","2013","25","3","266","276","10.1021/cm301660n","","","0.71073","MoKα","","0.0447","0.0339","","","0.0821","0.0857","","","","","","1.054","","","","has coordinates","218803","2020-10-21","18:00:00",""
"4001714","21.936","0.003","7.164","0.0012","21.873","0.002","90","","127.452","0.009","90","","2728.8","0.7","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H42 N2 S4 Sn -","- C20 H42 N2 S4 Sn -","- C80 H168 N8 S16 Sn4 -","4","0.5","","Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul","Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD)","Chemistry of Materials","2013","25","3","266","276","10.1021/cm301660n","","","0.71073","MoKα","","0.0715","0.0378","","","0.0601","0.0647","","","","","","0.763","","","","has coordinates","218803","2020-10-21","18:00:00",""
"4001715","20.345","0.005","9.597","0.005","34.35","0.005","90","0.005","91.27","0.005","90","0.005","6705","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H51 N2 S4 Sn -","- C26 H54 N2 S4 Sn -","- C208 H432 N16 S32 Sn8 -","8","2","","Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul","Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD)","Chemistry of Materials","2013","25","3","266","276","10.1021/cm301660n","","","0.71073","MoKα","","0.0482","0.0318","","","0.0755","0.0927","","","","","","1.016","","","","has coordinates","218803","2020-10-21","18:00:00",""
"4001716","9.629","0.0019","9.9","0.002","12.559","0.003","74.57","0.03","84.4","0.03","62.82","0.03","1026.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 N2 O2 S4 -","- C48 H50 N2 O2 S4 -","- C48 H50 N2 O2 S4 -","1","0.5","","Cai, Zhengxu; Guo, Yunlong; Yang, Sifen; Peng, Qian; Luo, Hewei; Liu, Zitong; Zhang, Guanxin; Liu, Yunqi; Zhang, Deqing","New Donor‒Acceptor‒Donor Molecules with Pechmann Dye as the Core Moiety for Solution-Processed Good-Performance Organic Field-Effect Transistors","Chemistry of Materials","2013","25","3","471","","10.1021/cm303793g","","","0.71073","MoKα","","0.1088","0.0891","","","0.2173","0.2348","","","","","","1.112","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001717","9.5525","0.0019","9.7452","0.0019","12.66","0.003","73.02","0.03","83.17","0.03","63.39","0.03","1007.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 N2 O4 S2 -","- C48 H50 N2 O4 S2 -","- C48 H50 N2 O4 S2 -","1","0.5","","Cai, Zhengxu; Guo, Yunlong; Yang, Sifen; Peng, Qian; Luo, Hewei; Liu, Zitong; Zhang, Guanxin; Liu, Yunqi; Zhang, Deqing","New Donor‒Acceptor‒Donor Molecules with Pechmann Dye as the Core Moiety for Solution-Processed Good-Performance Organic Field-Effect Transistors","Chemistry of Materials","2013","25","3","471","","10.1021/cm303793g","","","0.71073","MoKα","","0.1126","0.0959","","","0.225","0.2393","","","","","","1.124","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001718","8.188","0.0008","7.676","0.0007","8.7944","0.0009","90","","110.57","0.008","90","","517.5","0.09","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Al9 K O14 -","- Al9 K O14 -","- Al18 K2 O28 -","2","0.5","","Lazic, Biljana; Krüger, Hannes; Kaindl, Reinhard; Perfler, Lukas; Kremenović, Aleksandar; Cvetković, Vladica; Withers, Ray L.","Superstructure of Mullite-type KAl9O14","Chemistry of Materials","2013","25","3","496","","10.1021/cm3038476","","","0.71073","MoKα","","0.033","0.0296","","","0.0395","0.04","","","","2.94","2.94","2.83","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001754","11.751","0.002","6.8398","0.0012","18.669","0.003","90","","95.385","0.002","90","","1493.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Co N4 O14 S2 -","- C22 H36 Co N4 O14 S2 -","- C44 H72 Co2 N8 O28 S4 -","2","0.5","","Fei, Honghan; Han, Cari S.; Robins, Jeremy C.; Oliver, Scott R. J.","A Cationic Metal‒Organic Solid Solution Based on Co(II) and Zn(II) for Chromate Trapping","Chemistry of Materials","2013","25","5","647","","10.1021/cm302585r","","","0.71073","MoKα","","0.072","0.0511","","","0.1292","0.1443","","","","","","1.018","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001755","11.7309","0.0015","6.8571","0.0009","18.701","0.002","90","","95.331","0.002","90","","1497.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 N2 O7 S Zn0.5 -","- C11 H18 N2 O7 S Zn0.5 -","- C44 H72 N8 O28 S4 Zn2 -","4","1","","Fei, Honghan; Han, Cari S.; Robins, Jeremy C.; Oliver, Scott R. J.","A Cationic Metal‒Organic Solid Solution Based on Co(II) and Zn(II) for Chromate Trapping","Chemistry of Materials","2013","25","5","647","","10.1021/cm302585r","","","0.71073","MoKα","","0.041","0.0334","","","0.0894","0.0952","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001756","16.666","0.002","16.666","0.002","7.0012","0.0014","90","","90","","120","","1684.1","0.4","173","2","173","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C15 H16 N2 Ni O6 -","- C15 H15 N2 Ni O6 -","- C45 H45 N6 Ni3 O18 -","3","0.25","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.0975","0.0866","","","0.2182","0.2362","","","","","","1.081","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001757","16.586","0.005","16.586","0.005","18.124","0.007","90","","90","","120","","4318","2","173","2","173","2","","","","","","","","5","P 3","P 3","143","","","","- C31.67 H31.67 N4 Ni2 O12.67 -","- C31.6 H28.4 N4 Ni2 O12.6 -","- C94.8 H85.2 N12 Ni6 O37.8 -","3","1","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.2403","0.1172","","","0.2531","0.3168","","","","","","0.877","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001758","16.634","0.002","16.634","0.002","18.194","0.004","90","","90","","120","","4359.7","1.2","173","2","173","2","","","","","","","","5","P 3","P 3","143","","","","- C34 H28 N4 Ni2 O12 -","- C34 H26 N4 Ni2 O12 -","- C102 H78 N12 Ni6 O36 -","3","1","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.1403","0.0945","","","0.2337","0.27","","","","","","0.959","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001759","10.498797","0.000034","14.91631","0.00005","8.846944","0.000032","90","","106.057","0.0002","90","","1331.41","0.008","298","","298","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C7 F N2 O24 Si12 -","- C7 F N2 O24 Si12 -","- C14 F2 N4 O48 Si24 -","2","0.5","","Rojas, Alex; San-Roman, María Luisa; Zicovich-Wilson, Claudio M.; Camblor, Miguel A.","Host‒Guest Stabilization of a Zeolite Strained Framework: In Situ Transformation of Zeolite MTW into the Less Dense and More Strained ITW","Chemistry of Materials","2013","25","5","729","","10.1021/cm303709e","powder diffraction","x-ray","1.55","","","","","","","","","0.06182","","2.13","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001760","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","100","","100","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.468 O26 Si6 -","- Nd9.468 O26 Si6 -","- Nd9.468 O26 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0222","0.0213","","","0.058","0.0588","","","","1.83","1.83","1.82","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001761","9.5567","","9.5567","","7.0563","","90","","90","","120","","558.115","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al0.5 Nd9.772 O26 Si5.5 -","- Al0.4998 Nd9.772 O26 Si5.5002 -","- Al0.4998 Nd9.772 O26 Si5.5002 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0483","0.047","","","0.1217","0.1222","","","","3.27","3.27","3.22","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001762","9.5537","","9.5537","","7.0528","","90","","90","","120","","557.488","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al Nd9.782 O26 Si5 -","- Al1.0002 Nd9.78 O26 Si4.9998 -","- Al1.0002 Nd9.78 O26 Si4.9998 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0372","0.0364","","","0.107","0.1072","","","","3.22","3.22","3.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001763","9.5604","","9.5604","","7.0622","","90","","90","","120","","559.014","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al1.5 Nd9.924 O26 Si4.5 -","- Al1.5 Nd9.924 O26 Si4.5 -","- Al1.5 Nd9.924 O26 Si4.5 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0276","0.0272","","","0.0873","0.0875","","","","3.05","3.05","3.04","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001764","9.5567","0.0001","9.5567","0.0001","7.0189","0.0001","90","","90","","120","","555.157","0.011","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.348 O26 Si6 -","- Nd9.348 O26 Si6 -","- Nd9.348 O26 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71073","MoKα","","0.0259","0.0253","","","0.0699","0.0702","","","","1.87","1.87","1.86","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001765","9.5516","0.0002","9.5516","0.0002","7.0288","0.0002","90","","90","","120","","555.35","0.02","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al0.5 Nd9.508 O26 Si5.5 -","- Al0.5004 Nd9.508 O26 Si5.4996 -","- Al0.5004 Nd9.508 O26 Si5.4996 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71073","MoKα","","0.0233","0.0221","","","0.0703","0.0707","","","","2.32","2.32","2.3","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001766","8.771","0.009","15.632","0.017","17.623","0.02","71.72","0.02","86.96","0.02","86.73","0.03","2289","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 Cl14 Fe -","- C39 H27 Cl14 Fe -","- C78 H54 Cl28 Fe2 -","2","1","","Guasch, Judith; Grisanti, Luca; Jung, Stefan; Morales, Dayana; D’Avino, Gabriele; Souto, Manuel; Fontrodona, Xavier; Painelli, Anna; Renz, Franz; Ratera, Imma; Veciana, Jaume","Bistability of Fc-PTM-Based Dyads: The Role of the Donor Strength","Chemistry of Materials","2013","25","5","808","","10.1021/cm400147p","","","0.71073","MoKα","","0.33","0.1698","","","0.3785","0.4274","","","","","","0.997","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001767","8.33406","0.00004","8.33406","0.00004","8.33406","0.00004","90","","90","","90","","578.855","0.005","293","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga2 O4 Zn -","- Ga2 O4 Zn -","- Ga16 O32 Zn8 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2252","","","0.0094","0.0094","","0.0172","0.0172","","","","2.23","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001768","8.33665","0.00005","8.33665","0.00005","8.33665","0.00005","90","","90","","90","","579.395","0.006","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga1.8 Ge0.1 O4 Zn1.1 -","- Ga1.8 Ge0.1 O4 Zn1.1 -","- Ga14.4 Ge0.8 O32 Zn8.8 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2255","","","0.0149","0.0149","","0.0246","0.0245","","","","3.02","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001769","8.34115","0.00004","8.34115","0.00004","8.34115","0.00004","90","","90","","90","","580.334","0.005","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga1.5 Ge0.25 O4 Zn1.25 -","- Ga1.4999 Ge0.251 O4 Zn1.25 -","- Ga11.9992 Ge2.008 O32 Zn10 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2252","","","0.0101","0.0101","","0.0189","0.0189","","","","2.33","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001770","8.35049","0.00006","8.35049","0.00006","8.35049","0.00006","90","","90","","90","","582.285","0.007","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga Ge0.5 O4 Zn1.5 -","- Ga Ge0.5 O4 Zn1.5 -","- Ga8 Ge4 O32 Zn12 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2252","","","0.0108","0.0108","","0.0185","0.0185","","","","2.94","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001771","11.5128","0.0002","11.5128","0.0002","8.9087","0.0002","90","","90","","90","","1180.8","0.04","298","2","298","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C4 H8 Dy K O12 -","- C4 H8 Dy K O12 -","- C16 H32 Dy4 K4 O48 -","4","0.125","","Mohapatra, Sudip; Rajeswaran, Bharath; Chakraborty, Anindita; Sundaresan, A.; Maji, Tapas Kumar","Bimodal Magneto-Luminescent Dysprosium (DyIII)-Potassium (KI)-Oxalate Framework: Magnetic Switchability with High Anisotropic Barrier and Solvent Sensing","Chemistry of Materials","2013","25","9","1673","","10.1021/cm400116h","","","0.71073","MoKα","","0.0205","0.0193","","","0.0405","0.0415","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001772","13.0357","0.0007","13.035","0.0007","9.16771","0.00019","90","","90","","90","","1557.78","0.12","298","","","","","","","","","","","4","P c c 2","P 2 -2c","27","","","","- Al6 Ca4 O16 S -","- Al6 Ca4 O16 S -","- Al24 Ca16 O64 S4 -","4","1","","Cuesta, Ana; De la Torre, Angeles G.; Losilla, Enrique R.; Peterson, Vanessa K.; Rejmak, Pawel; Ayuela, Andrés; Frontera, Carlos; Aranda, Miguel A. G.","Structure, Atomistic Simulations, and Phase Transition of Stoichiometric Yeelimite","Chemistry of Materials","2013","25","9","1680","","10.1021/cm400129z","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","250899","2020-10-21","18:00:00",""
"4001773","6.4351","0.0018","13.119","0.004","14.261","0.005","83.81","0.02","88.486","0.017","83.745","0.016","1189.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,3-bis(tert-butyltelluro)propane-bis(trichlorogallium(III))","","- C11 H24 Cl6 Ga2 Te2 -","- C11 H24 Cl6 Ga2 Te2 -","- C22 H48 Cl12 Ga4 Te4 -","2","1","","George, Kathryn; de Groot, C. H. (Kees); Gurnani, Chitra; Hector, Andrew L.; Huang, Ruomeng; Jura, Marek; Levason, William; Reid, Gillian","Telluroether and Selenoether Complexes as Single Source Reagents for Low Pressure Chemical Vapor Deposition of Crystalline Ga2Te3and Ga2Se3Thin Films","Chemistry of Materials","2013","25","9","1829","","10.1021/cm400382j","","","0.71073","MoKα","","0.0946","0.0697","","","0.0983","0.1084","","","","","","1.138","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001774","18.6563","0.0002","18.6563","0.0002","18.6563","0.0002","90","","90","","90","","6493.47","0.12","123","2","123","2","","","","","","","","2","F -4 3 m","F -4 2 3","216","Lithium Silicide","","","- Li17 Si4 -","- Li17 Si4 -","- Li340 Si80 -","20","0.208333","","Zeilinger, Michael; Benson, Daryn; Häussermann, Ulrich; Fässler, Thomas F.","Single Crystal Growth and Thermodynamic Stability of Li17Si4","Chemistry of Materials","2013","25","9","1960","","10.1021/cm400612k","","","0.71073","MoKα","","0.0284","0.0207","","","0.0352","0.0369","","","","","","1.061","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001775","18.7353","0.0003","18.7353","0.0003","18.7353","0.0003","90","","90","","90","","6576.31","0.18","298","2","298","2","","","","","","","","2","F -4 3 m","F -4 2 3","216","Lithium Silicide","","","- Li17 Si4 -","- Li17 Si4 -","- Li340 Si80 -","20","0.208333","","Zeilinger, Michael; Benson, Daryn; Häussermann, Ulrich; Fässler, Thomas F.","Single Crystal Growth and Thermodynamic Stability of Li17Si4","Chemistry of Materials","2013","25","9","1960","","10.1021/cm400612k","","","0.71073","MoKα","","0.0205","0.0203","","","0.0549","0.055","","","","","","1.255","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001776","11.708","0.002","11.712","0.002","23.051","0.005","90","","97.28","0.03","90","","3135.4","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd2 Cs2 In2 Se6 -","- Cd2 Cs2 In2 Se6 -","- Cd16 Cs16 In16 Se48 -","8","1","","Li, Hao; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Jin, Hosub; Morris, Collin D.; Zhao, Li-Dong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","CsCdInQ3(Q = Se, Te): New Photoconductive Compounds As Potential Materials for Hard Radiation Detection","Chemistry of Materials","2013","25","10","2089","","10.1021/cm400634v","","","0.71073","MoKα","","0.0903","0.0496","","","0.0777","0.0882","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001777","12.523","0.003","12.517","0.003","24.441","0.005","90","","97.38","0.03","90","","3799.4","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd2 Cs2 In2 Te6 -","- Cd2 Cs2 In2 Te6 -","- Cd16 Cs16 In16 Te48 -","8","1","","Li, Hao; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Jin, Hosub; Morris, Collin D.; Zhao, Li-Dong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","CsCdInQ3(Q = Se, Te): New Photoconductive Compounds As Potential Materials for Hard Radiation Detection","Chemistry of Materials","2013","25","10","2089","","10.1021/cm400634v","","","0.71073","MoKα","","0.0762","0.0434","","","0.0991","0.1105","","","","","","0.986","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001778","3.6749","0.0004","3.6749","0.0004","16.827","0.004","90","","90","","120","","196.8","0.06","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K1.316 Mg0.658 S4 Sn1.342 -","- K1.32 Mg0.66 S4 Sn1.34 -","- K1.32 Mg0.66 S4 Sn1.34 -","1","0.0416667","","Mertz, Joshua L.; Fard, Zohreh Hassanzadeh; Malliakas, Christos D.; Manos, Manolis J.; Kanatzidis, Mercouri G.","Selective Removal of Cs+, Sr2+, and Ni2+by K2xMgxSn3‒xS6(x= 0.5‒1) (KMS-2) Relevant to Nuclear Waste Remediation","Chemistry of Materials","2013","25","10","2116","","10.1021/cm400699r","","","0.4428","synchrotron","","0.0557","0.0437","","","0.1198","0.123","","","","2.51","2.51","2.4","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001779","9.7094","0.0001","9.7094","0.0001","7.1816","0.0001","90","","90","","120","","586.323","0.012","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La9.5 O26 Si5.87 -","- La9.5024 O26 Si5.8728 -","- La9.5024 O26 Si5.8728 -","1","0.0833333","","Fukuda, Koichiro; Asaka, Toru; Hara, Shinji; Oyabu, Masayuki; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe","Crystal Structure and Oxide-Ion Conductivity alongc-Axis of Si-Deficient Apatite-Type Lanthanum Silicate","Chemistry of Materials","2013","25","10","2154","","10.1021/cm400892p","","","0.71073","MoKα","","0.0267","0.0156","","","0.0173","0.0185","","","","1.04","1.04","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001780","12.132","0.0002","6.0606","0.0001","8.0956","0.0001","90","","90","","90","","595.247","0.016","","","","","","","","","","","","4","P b 21 m","P -2 -2b","26","","","","- Ba2 Fe O5.5 Y -","- Ba2 Fe O5.5 Y -","- Ba8 Fe4 O22 Y4 -","4","1","","Luo, Kun; Johnson, Roger D.; Tran, Thao T.; Halasyamani, P. Shiv; Radaelli, Paolo G.; Hayward, Michael A.","Ba2YFeO5.5: A Ferromagnetic Pyroelectric Phase Prepared by Topochemical Oxidation.","Chemistry of Materials","2013","25","9","1800","","10.1021/cm400364y","","","","","","","","","","","","","","","","","","","","","has coordinates","176427","2020-10-21","18:00:00",""
"4001781","14.931","0.003","8.2217","0.0016","6.5989","0.0013","90","","90","","90","","810.1","0.3","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li4 Se4 Sn -","- Li4 Se4 Sn -","- Li16 Se16 Sn4 -","4","0.5","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0517","0.049","","","0.1367","0.139","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001782","12.522","0.003","7.2137","0.0014","7.7692","0.0016","90","","120.96","0.03","90","","601.8","0.3","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Li2 Se3 Sn -","- Li2 Se3 Sn -","- Li8 Se12 Sn4 -","4","1","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0623","0.0623","","","0.1634","0.1634","","","","","","1.117","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001783","12.84","0.003","12.93","0.003","13.274","0.003","90","","90","","90","","2203.8","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Li4 O13 Se4 Sn -","- Li4 O13 Se4 Sn -","- Li16 O52 Se16 Sn4 -","4","1","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0593","0.054","","","0.0882","0.0893","","","","","","1.331","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001784","7.2602","0.0015","9.5887","0.0019","10.496","0.002","77.46","0.03","71.1","0.03","74","0.03","657.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- H28 Li4 O14 Se6 Sn2 -","- H28 Li4 O14 Se6 Sn2 -","- H28 Li4 O14 Se6 Sn2 -","1","0.5","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0234","0.0213","","","0.0527","0.0536","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001785","13.73","0.0019","13.73","0.0019","11.9","0.002","90","","90","","90","","2243.3","0.6","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C16 H62 Li4 O16 Se4 Sn -","- C16 H64 Li4 O16 Se4 Sn -","- C32 H128 Li8 O32 Se8 Sn2 -","2","0.25","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0383","0.0347","","","0.0846","0.086","","","","","","1.003","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001786","8.98593","0.00011","6.73577","0.00005","5.15998","0.00004","90","","90.1225","0.0012","90","","312.318","0.005","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","sidorenkite","","","- C Mn Na3 O7 P -","- C Mn Na3 O7 P -","- C2 Mn2 Na6 O14 P2 -","2","0.5","","Chen, Hailong; Hao, Qing; Zivkovic, Olivera; Hautier, Geoffroy; Du, Lin-Shu; Tang, Yuanzhi; Hu, Yan-Yan; Ma, Xiaohua; Grey, Clare P.; Ceder, Gerbrand","Sidorenkite (Na3MnPO4CO3): A New Intercalation Cathode Material for Na-Ion Batteries","Chemistry of Materials","2013","25","14","2777","","10.1021/cm400805q","powder diffraction","","0.775192","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001787","18.4852","0.0005","18.4852","0.0005","18.4852","0.0005","90","","90","","90","","6316.4","0.3","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Cu Mn7 N48 O5 -","- C36 H12 Cl1.5 Cu6.12 Mn0.6 N48 O6 -","- C72 H24 Cl3 Cu12.24 Mn1.2 N96 O12 -","2","0.0416667","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.71073","MoKα","","0.1441","0.1291","","","0.3587","0.4042","","","","","","1.883","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001788","19.0218","0.0005","19.0218","0.0005","19.0218","0.0005","90","","90","","90","","6882.6","0.3","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Fe Mn7 N48 O5 -","- C18 H6 Cl0.75 Fe0.09 Mn2.91 N24 O3 -","- C72 H24 Cl3 Fe0.36 Mn11.64 N96 O12 -","4","0.0833333","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.7749","","","0.1485","0.1384","","","0.3635","0.3865","","","","","","3.309","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001789","18.9153","0.0005","18.9153","0.0005","18.9153","0.0005","90","","90","","90","","6767.7","0.3","296","2","296","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Mn7 N48 O5 -","- C36 H12 Cl1.5 Mn6.882 N48 O6 -","- C72 H24 Cl3 Mn13.764 N96 O12 -","2","0.0416667","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.7749","","","0.1676","0.1551","","","0.3978","0.428","","","","","","1.912","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001790","18.8285","0.0004","18.8285","0.0004","18.8285","0.0004","90","","90","","90","","6674.9","0.2","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Mn7 N48 O5 Zn -","- C18 H6 Cl0.75 Mn0.75 N24 O3 Zn2.61 -","- C72 H24 Cl3 Mn3 N96 O12 Zn10.44 -","4","0.0833333","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.71073","MoKα","","0.2086","0.1991","","","0.494","0.5026","","","","","","4.488","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001791","12.32","0.01","12.32","0.01","3.907","0.001","90","","90","","90","","593","0.7","293","2","293","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- K5.06 Nb4.724 O30 Ta6.264 -","- K5.06 Nb4.724 O30 Ta6.264 -","- K5.06 Nb4.724 O30 Ta6.264 -","1","0.0625","","Simon, Q.; Dorcet, V.; Boullay, P.; Demange, V.; Députier, S.; Bouquet, V.; Guilloux-Viry, M.","Nanorods of Potassium Tantalum Niobate Tetragonal Tungsten Bronze Phase Grown by Pulsed Laser Deposition","Chemistry of Materials","2013","25","14","2793","","10.1021/cm401018k","","","0.0196","electron","","0.2851","0.2849","","","0.3203","0.3203","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001792","9.1758","0.0013","9.1758","0.0013","9.5879","0.0019","90","","90","","90","","807.3","0.2","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- I4 S Tl6 -","- I4 S Tl6 -","- I8 S2 Tl12 -","2","0.125","","Nguyen, Sandy L.; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Zhao, Li-Dong; Sebastian, Maria; Jin, Hosub; Li, Hao; Johnsen, Simon; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Photoconductivity in Tl6SI4: A Novel Semiconductor for Hard Radiation Detection","Chemistry of Materials","2013","25","14","2868","","10.1021/cm401406j","","","0.71073","MoKα","","0.0584","0.048","","","0.0891","0.0912","","","","","","1.388","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001793","8.007","0.003","15.91","0.005","13.916","0.005","90","","101.318","0.004","90","","1738.3","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 F Lu Na4 O8 -","- C3 F Lu Na4 O9 -","- C24 F8 Lu8 Na32 O72 -","8","2","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0201","0.019","","","0.0367","0.0371","","","","","","1.008","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4001794","7.073","0.006","29.77","0.02","6.909","0.007","90","","111.924","0.015","90","","1350","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 F2 Lu Na3 O6 -","- C2 F2 Lu Na3 O6 -","- C16 F16 Lu8 Na24 O48 -","8","2","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0439","0.0355","","","0.0967","0.1054","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001795","7.5879","0.0003","7.5879","0.0003","11.5313","0.0009","90","","90","","90","","663.93","0.06","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C4 H4 Lu Na5 O14 -","- C4 H4 Lu Na5 O14 -","- C8 H8 Lu2 Na10 O28 -","2","0.25","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0145","0.0139","","","0.0307","0.0309","","","","","","1.302","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001796","17.534","0.004","6.1084","0.0014","11.285","0.003","90","","95.429","0.016","90","","1203.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 F Lu Na2 O6 -","- C2 F Lu Na2 O6 -","- C16 F8 Lu8 Na16 O48 -","8","1","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0305","0.0259","","","0.0655","0.0928","","","","","","1.118","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001797","38.3106","","7.72437","","38.2799","","90","","90","","90","","11328","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","","","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","1","0.5","","Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf","Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites","Chemistry of Materials","2013","25","13","2670","2683","10.1021/cm4012052","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001798","38.3106","","38.279869","","7.724372","","90","","90","","90","","11328","","","","","","","","","","","","","4","P 2 m m","P -2 2","25","","","","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","1","0.25","","Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf","Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites","Chemistry of Materials","2013","25","13","2670","2683","10.1021/cm4012052","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001799","12.0872","0.0007","24.8979","0.0008","21.0015","0.001","90","","90","","90","","6320.3","0.5","293","","295","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- Ba4 Nb2 O9 -","- Ba4 Nb2 O9 -","- Ba96 Nb48 O216 -","24","6","","Dunstan, Matthew T.; Blanc, Frédéric; Avdeev, Maxim; McIntyre, Garry J.; Grey, Clare P.; Ling, Chris D.","Long-Range-Ordered Coexistence of 4-, 5-, and 6-Coordinate Niobium in the Mixed Ionic-Electronic Conductor γ-Ba4Nb2O9","Chemistry of Materials","2013","25","15","3154","","10.1021/cm4014656","","neutron","1.2467","Neutron","","0.0822","0.0669","","","0.0683","0.0696","","","","3.75","3.75","3.48","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001800","25.9981","","26.2767","","26.5511","","90","","90","","90","","18138.2","","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C288 H192 Cu48 I108.75 O240 -","- C288 H192 Cu48 I108.75 O240 -","- C288 H192 Cu48 I108.75 O240 -","1","1","","Sava, Dorina F.; Chapman, Karena W.; Rodriguez, Mark A.; Greathouse, Jeffery A.; Crozier, Paul S.; Zhao, Haiyan; Chupas, Peter J.; Nenoff, Tina M.","Competitive I2Sorption by Cu-BTC from Humid Gas Streams","Chemistry of Materials","2013","25","13","2591","","10.1021/cm401762g","","","0.2128","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001801","3.831048","0.000005","3.827977","0.000004","7.724355","0.000008","90","","90","","90","","113.279","0.0002","293","","293","","","","","","","","","4","Pmmm(\a,1/2,0)000(1/2,\b,0)000","","","","","","- Li0.15 Nd0.617 O3 Ti -","","","2","","","Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf","Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites","Chemistry of Materials","2013","25","13","2670","2683","10.1021/cm4012052","powder diffraction","x-ray","0.3962","","","0.0517","0.045","","0.0235","0.0232","","","","2.02","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001802","6.44903","0.00005","9.48247","0.00008","10.99331","0.00008","64.8468","0.0004","86.2397","0.0005","73.1333","0.0005","581.05","0.008","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Fe2 Na4 O14 P4 -","- Fe2 Na4 O14 P4 -","- Fe4 Na7.99999 O28 P8 -","2","1","","Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo","Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries","Chemistry of Materials","2013","25","17","3480","","10.1021/cm401657c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001803","6.3297","0.0013","9.4646","0.0019","11.1","0.0023","62.6109","0.0006","83.29","0.0007","72.2418","0.0007","562.1","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Fe4 Na4 O28 P8 -","- Fe4 Na4 O28 P8 -","- Fe4 Na4 O28 P8 -","1","0.5","","Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo","Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries","Chemistry of Materials","2013","25","17","3480","","10.1021/cm401657c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001804","8.9903","0.0008","6.8681","0.0006","5.0441","0.0005","90","","90","","90","","311.45","0.05","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Na O4 P -","- Fe Na O4 P -","- Fe4 Na4 O16 P4 -","4","0.5","","Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo","Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries","Chemistry of Materials","2013","25","17","3480","","10.1021/cm401657c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001805","7.6635","0.0002","12.7242","0.0005","17.7724","0.0006","90","","90","","90","","1733.02","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Mg Se8 -","- Cs2 Ge3 Mg Se8 -","- Cs8 Ge12 Mg4 Se32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0719","0.0467","","","0.0771","0.0837","","","","","","1.026","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001806","7.2624","0.0004","16.9801","0.0009","12.6231","0.0008","90","","97.706","0.005","90","","1542.58","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cs2 Ge3 S8 Zn -","- Cs2 Ge3 S8 Zn -","- Cs8 Ge12 S32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0514","0.0428","","","0.1044","0.1085","","","","","","1.059","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001807","7.5756","0.0005","12.6191","0.001","17.6543","0.0011","90","","90","","90","","1687.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Se8 Zn -","- Cs2 Ge3 Se8 Zn -","- Cs8 Ge12 Se32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.119","0.088","","","0.2048","0.2238","","","","","","1.077","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001808","8.1345","0.0006","13.1145","0.0013","18.8263","0.0019","90","","90","","90","","2008.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Te8 Zn -","- Cs2 Ge3 Te8 Zn -","- Cs8 Ge12 Te32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.1023","0.0614","","","0.1505","0.1711","","","","","","0.9","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001809","7.4192","0.0002","12.5099","0.0004","17.0843","0.0006","90","","90","","90","","1585.65","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Ge3 S8 -","- Cd Cs2 Ge3 S8 -","- Cd4 Cs8 Ge12 S32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0415","0.0318","","","0.0529","0.0551","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001810","7.7048","0.0003","12.6822","0.0006","17.8208","0.0007","90","","90","","90","","1741.34","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Ge3 Se8 -","- Cd Cs2 Ge3 Se8 -","- Cd4 Cs8 Ge12 Se32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0622","0.0502","","","0.1045","0.1088","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001811","7.9055","0.0003","12.7661","0.0005","18.474","0.0006","90","","90","","90","","1864.44","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Mg Se8 Sn3 -","- Cs2 Mg Se8 Sn3 -","- Cs8 Mg4 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0643","0.0489","","","0.0991","0.104","","","","","","1.041","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001812","7.8146","0.0003","12.6534","0.0004","18.3747","0.0005","90","","90","","90","","1816.91","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Se8 Sn3 Zn -","- Cs2 Se8 Sn3 Zn -","- Cs8 Se32 Sn12 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0631","0.047","","","0.0901","0.0959","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001813","7.9335","0.0004","12.7336","0.0009","18.5387","0.001","90","","90","","90","","1872.82","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Se8 Sn3 -","- Cd Cs2 Se8 Sn3 -","- Cd4 Cs8 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0857","0.0621","","","0.1267","0.137","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001814","7.6672","0.0004","12.3405","0.001","17.9011","0.0012","90","","90","","90","","1693.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Hg S8 Sn3 -","- Cs2 Hg S8 Sn3 -","- Cs8 Hg4 S32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0928","0.0844","","","0.1996","0.2075","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001815","7.9196","0.0003","12.6657","0.0007","18.5375","0.0009","90","","90","","90","","1859.45","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Hg Se8 Sn3 -","- Cs2 Hg Se8 Sn3 -","- Cs8 Hg4 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0649","0.0498","","","0.1047","0.1122","","","","","","1.049","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001816","13.527","0.004","13.527","0.004","4.1422","0.0012","90","","90","","90","","757.9","0.4","298","2","298","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.75 Dy3 Fe Mg0.25 Si2 -","- Al3.75 Dy2.976 Fe Mg0.25 Si2 -","- Al15 Dy11.904 Fe4 Mg Si8 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0155","0.0131","","","0.022","0.0223","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001817","13.562","0.004","13.562","0.004","4.1201","0.0013","90","","90","","90","","757.8","0.4","298","2","298","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.5 Er3 Fe Ge2 Mg0.5 -","- Al3.5 Er2.9648 Fe Ge2 Mg0.5 -","- Al14 Er11.8592 Fe4 Ge8 Mg2 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0156","0.0152","","","0.0292","0.0293","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001818","13.6799","0.0011","13.6799","0.0011","4.1507","0.0003","90","","90","","90","","776.76","0.1","296","2","296","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.5 Fe Ge2 Mg0.5 Y3 -","- Al3.5 Fe Ge2 Mg0.5 Y2.9788 -","- Al14 Fe4 Ge8 Mg2 Y11.9152 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0231","0.0187","","","0.0393","0.0405","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001819","13.3479","0.0009","13.3479","0.0009","4.0996","0.0003","90","","90","","90","","730.41","0.09","296","2","296","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.72 Fe Mg0.28 Si2 Yb2.77 -","- Al3.5 Fe Mg0.5 Si2 Yb2.714 -","- Al14 Fe4 Mg2 Si8 Yb10.856 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0182","0.0172","","","0.0385","0.0388","","","","","","1.175","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001820","11.433","0.008","11.433","0.008","4.04","0.003","90","","90","","90","","528.1","0.7","296","2","296","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Al17 Fe4 Si6 Yb5 -","- Al17 Fe4 Si6 Yb5 -","- Al17 Fe4 Si6 Yb5 -","1","0.0625","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.019","0.017","","","0.0378","0.0383","","","","","","1.159","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001821","7.1634","0.0005","7.3956","0.0005","19.2069","0.0012","93.698","0.004","90.474","0.004","105.266","0.004","979.25","0.11","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 B10 N4 O12 -","- C30 H48 B10 N4 O12 -","- C30 H48 B10 N4 O12 -","1","0.5","","Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.","Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities","Chemistry of Materials","2013","25","17","3539","","10.1021/cm4020942","","","0.71073","MoKα","","0.0982","0.052","","","0.1294","0.1451","","","","","","0.955","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001822","7.0603","0.0003","10.4871","0.0005","10.8766","0.0005","111.528","0.003","93.925","0.003","103.985","0.003","715.84","0.06","100","2","100.04","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 B10 O8 -","- C26 H36 B10 O8 -","- C26 H36 B10 O8 -","1","0.5","","Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.","Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities","Chemistry of Materials","2013","25","17","3539","","10.1021/cm4020942","","","0.71073","MoKα","","0.0577","0.0484","","","0.1329","0.1415","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001823","18.6953","0.0007","18.6953","0.0007","39.1379","0.0017","90","","90","","120","","11846.6","0.8","100","2","100.02","","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C9 H10 B5 Cu O5 -","- C9 H10 B5 Cu O5 -","- C162 H180 B90 Cu18 O90 -","18","","","Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.","Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities","Chemistry of Materials","2013","25","17","3539","","10.1021/cm4020942","","","1.54178","CuKα","","0.1267","0.1173","","","0.3735","0.3904","","","","","","1.764","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001824","12.0769","0.0003","12.0769","0.0003","12.0769","0.0003","90","","90","","90","","1761.43","0.08","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cu2.77 K8 Sn43.23 -","- Cu2.772 K8 Sn43.228 -","- Cu2.772 K8 Sn43.228 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0171","0.0155","","","0.0319","0.0325","","","","","","1.157","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001825","12.0868","0.0008","12.0868","0.0008","12.0868","0.0008","90","","90","","90","","1765.8","0.2","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cu2.76 Rb8 Sn43.24 -","- Cu2.76 Rb8 Sn43.24 -","- Cu2.76 Rb8 Sn43.24 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0178","0.0145","","","0.0324","0.0337","","","","","","1.083","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001826","12.1234","0.0006","12.1234","0.0006","12.1234","0.0006","90","","90","","90","","1781.86","0.15","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cs8 Cu2.69 Sn43.31 -","- Cs8 Cu2.682 Sn43.318 -","- Cs8 Cu2.682 Sn43.318 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0153","0.014","","","0.0285","0.029","","","","","","1.208","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001827","12.0671","0.0004","12.0671","0.0004","12.0671","0.0004","90","","90","","90","","1757.15","0.1","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- K8 Sn42.22 Zn3.78 -","- K8 Sn42.22 Zn3.78 -","- K8 Sn42.22 Zn3.78 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0166","0.0138","","","0.0268","0.0275","","","","","","1.315","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001828","12.0913","0.0005","12.0913","0.0005","12.0913","0.0005","90","","90","","90","","1767.74","0.13","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Rb8 Sn42.48 Zn3.52 -","- Rb8 Sn42.484 Zn3.516 -","- Rb8 Sn42.484 Zn3.516 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0269","0.0176","","","0.0278","0.0306","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001829","12.1239","0.0004","12.1239","0.0004","12.1239","0.0004","90","","90","","90","","1782.08","0.1","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cs8 Sn42.57 Zn3.43 -","- Cs8 Sn42.568 Zn3.432 -","- Cs8 Sn42.568 Zn3.432 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0106","0.0102","","","0.0212","0.0213","","","","","","1.279","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001830","14.4807","0.0004","4.55923","0.00011","20.7613","0.0006","90","","110.159","0.008","90","","1286.71","0.09","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 O -","- C20 H12 O -","- C80 H48 O4 -","4","1","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","1.54187","CuKα","","","0.0568","","","","0.1394","","","","","","0.995","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001831","6.729","0.0003","26.7472","0.0012","7.7813","0.0004","90","","90","","90","","1400.49","0.11","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12 Se -","- C20 H12 Se -","- C80 H48 Se4 -","4","0.5","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","0.71075","MoKα","","","0.0629","","","","0.1654","","","","","","1.124","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001832","6.9337","0.0017","26.576","0.007","7.5281","0.0018","90","","90","","90","","1387.2","0.6","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","0.5","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","0.71075","MoKα","","","0.0983","","","","0.2875","","","","","","0.992","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001833","12.8934","0.0003","15.642","0.0004","23.0349","0.0005","109.545","0.002","101.108","0.0018","96.454","0.002","4216.64","0.19","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C44.5 H36 B Cl Cu F4 N3 O P2 -","- C44.5 H36 B Cl Cu F4 N3 O P2 -","- C178 H144 B4 Cl4 Cu4 F16 N12 O4 P8 -","4","2","","Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong","Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs","Chemistry of Materials","2013","25","19","3910","","10.1021/cm4024309","","","1.54184","CuKα","","0.0718","0.0626","","","0.1799","0.1917","","","","","","1.094","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001834","9.8109","0.0014","13.494","0.002","18.885","0.002","100.677","0.004","94.954","0.006","107.203","0.005","2320.3","0.5","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C45.5 H38 B Cl Cu F4 N3 O P2 -","- C45.5 H38 B Cl Cu F4 N3 O P2 -","- C91 H76 B2 Cl2 Cu2 F8 N6 O2 P4 -","2","1","","Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong","Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs","Chemistry of Materials","2013","25","19","3910","","10.1021/cm4024309","","","0.71073","MoKα","","0.0957","0.0709","","","0.2025","0.2315","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001835","9.846","0.003","13.394","0.005","17.194","0.005","95.74","0.014","90.447","0.015","109.394","0.015","2126.1","1.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H34 B Cu F7 N3 O P2 -","- C45 H34 B Cu F7 N3 O P2 -","- C90 H68 B2 Cu2 F14 N6 O2 P4 -","2","1","","Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong","Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs","Chemistry of Materials","2013","25","19","3910","","10.1021/cm4024309","","","0.71073","MoKα","","0.135","0.0852","","","0.2467","0.3435","","","","","","1.108","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001836","10.6322","0.0009","10.6322","0.0009","10.6322","0.0009","90","","90","","90","","1201.9","0.18","123","2","123","2","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","Lithium Silicide","","","- Li15 Si4 -","- Li15 Si4 -","- Li60 Si16 -","4","0.0833333","","Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.","Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4","Chemistry of Materials","2013","25","20","4113","","10.1021/cm402721n","","","0.71073","MoKα","","0.0103","0.0103","","","0.0299","0.0299","","","","","","1.145","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001837","10.687","0.007","10.687","0.007","10.687","0.007","90","","90","","90","","1220.6","1.4","298","2","298","2","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","Lithium Silicide","","","- Li15 Si4 -","- Li15 Si4 -","- Li60 Si16 -","4","0.0833333","","Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.","Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4","Chemistry of Materials","2013","25","20","4113","","10.1021/cm402721n","","","0.71073","MoKα","","0.0104","0.01","","","0.0267","0.027","","","","","","1.195","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001838","10.6172","0.0004","10.6172","0.0004","10.6172","0.0004","90","","90","","90","","1196.82","0.08","123","2","123","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","Al-doped Lithium Silicide","","","- Al0.63 Li14.37 Si4 -","- Al0.6333 Li14.3667 Si4 -","- Al2.5332 Li57.4668 Si16 -","4","0.0833333","","Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.","Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4","Chemistry of Materials","2013","25","20","4113","","10.1021/cm402721n","","","0.71073","MoKα","","0.0065","0.0063","","","0.0165","0.0165","","","","","","1.299","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001839","10.664","0.0012","10.664","0.0012","10.664","0.0012","90","","90","","90","","1212.7","0.2","298","2","298","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","Al-doped Lithium Silicide","","","- Al0.59 Li14.41 Si4 -","- Al0.5904 Li14.4096 Si4 -","- Al2.3616 Li57.6384 Si16 -","4","0.0833333","","Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.","Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4","Chemistry of Materials","2013","25","20","4113","","10.1021/cm402721n","","","0.71073","MoKα","","0.0129","0.0128","","","0.0314","0.0315","","","","","","1.307","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001841","8.608","0.003","10.221","0.004","13.297","0.005","97.85","0.03","96.79","0.03","113.64","0.04","1042.2","0.8","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 I2 N2 O2 -","- C44 H54 I2 N2 O2 -","- C44 H54 I2 N2 O2 -","1","0.5","","González, Lucía; Gimeno, Nélida; Tejedor, Rosa María; Polo, Víctor; Ros, M. Blanca; Uriel, Santiago; Serrano, José Luis","Halogen-Bonding Complexes Based on Bis(iodoethynyl)benzene Units: A New Versatile Route to Supramolecular Materials","Chemistry of Materials","2013","25","22","4503","","10.1021/cm401849f","","","0.71073","MoKα","","0.2913","0.1092","","","0.1476","0.2204","","","","","","0.952","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001842","7.728","0.003","9.453","0.004","14.8","0.005","75.71","0.03","84","0.03","66.93","0.04","963.9","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H54 I2 N2 O2 -","- C40 H54 I2 N2 O2 -","- C40 H54 I2 N2 O2 -","1","0.5","","González, Lucía; Gimeno, Nélida; Tejedor, Rosa María; Polo, Víctor; Ros, M. Blanca; Uriel, Santiago; Serrano, José Luis","Halogen-Bonding Complexes Based on Bis(iodoethynyl)benzene Units: A New Versatile Route to Supramolecular Materials","Chemistry of Materials","2013","25","22","4503","","10.1021/cm401849f","","","0.71073","MoKα","","0.2226","0.1115","","","0.1637","0.2118","","","","","","0.997","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001843","10.124","0.01","9.681","0.009","12.008","0.012","90","","106.047","0.013","90","","1131.1","1.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Ag2 N4 -","- C20 H38 Ag2 N4 -","- C40 H76 Ag4 N8 -","2","0.5","","Coyle, Jason P.; Gordon, Peter G.; Wells, Adam P.; Mandia, David J.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Se T.","Thermally Robust Gold and Silver Iminopyrrolidinates for Chemical Vapor Deposition of Metal Films","Chemistry of Materials","2013","25","22","4566","","10.1021/cm402658c","","","0.71073","MoKα","","0.0273","0.0235","","","0.0564","0.0588","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001844","10.1692","0.0014","9.7129","0.0013","12.0353","0.0017","90","","106.605","0.002","90","","1139.2","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Au2 N4 -","- C20 H38 Au2 N4 -","- C40 H76 Au4 N8 -","2","0.5","","Coyle, Jason P.; Gordon, Peter G.; Wells, Adam P.; Mandia, David J.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Se T.","Thermally Robust Gold and Silver Iminopyrrolidinates for Chemical Vapor Deposition of Metal Films","Chemistry of Materials","2013","25","22","4566","","10.1021/cm402658c","","","0.71073","MoKα","","0.0153","0.0141","","","0.0335","0.0343","","","","","","1.039","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001845","10.336","0.0002","6.006","0.0003","4.6932","0.0005","90","","90","","90","","291.34","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0189","0.018","","","0.0472","0.0476","","","","1.69","1.69","1.68","","","","has coordinates","288070","2023-12-06","12:50:23",""
"4001846","10.336","0.0002","6.006","0.0003","4.6932","0.0005","90","","90","","90","","291.34","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li1.1 O4.126 P -","- Fe4 Li4.4 O16.504 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0189","0.0179","","","0.0472","0.0476","","","","1.7","1.7","1.68","","","","has coordinates","288070","2023-12-06","12:50:25",""
"4001847","10.3244","0.0002","6.0064","0.0003","4.6901","0.0005","90","","90","","90","","290.84","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0177","0.0153","","","0.0423","0.0432","","","","1.45","1.45","1.41","","","","has coordinates","288070","2023-12-06","12:50:26",""
"4001848","10.3244","0.0002","6.0064","0.0003","4.6901","0.0005","90","","90","","90","","290.84","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe1.004 Li O4.125 P -","- Fe4.016 Li4 O16.5 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0178","0.0154","","","0.0413","0.0421","","","","1.42","1.42","1.38","","","","has coordinates","288070","2023-12-06","12:50:26",""
"4001849","10.3165","0.001","6.0095","0.0021","4.6988","0.0007","90","","90","","90","","291.31","0.11","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium iron phosphate","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","neutron","","neutron","","0.046","0.046","","","0.125","0.125","","","","","","2.292","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001850","12.2332","0.0019","9.4949","0.0015","38.973","0.006","90","","94.17","0.02","90","","4514.8","1.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 N2 O4 -","- C52 H64 N2 O4 -","- C208 H256 N8 O16 -","4","1","","Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas","Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances","Chemistry of Materials","2013","25","21","4340","","10.1021/cm4029484","","","0.6889","synchrotron","","0.0764","0.0515","","","0.1239","0.1352","","","","","","1.03","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4001851","24.021","0.004","4.8652","0.0009","28.577","0.005","90","","106.733","0.019","90","","3198.3","1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H92 N2 O6 -","- C72 H92 N2 O6 -","- C144 H184 N4 O12 -","2","0.5","","Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas","Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances","Chemistry of Materials","2013","25","21","4340","","10.1021/cm4029484","","","0.6889","Synchrotron","","0.0936","0.0713","","","0.1635","0.1767","","","","","","1.106","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001852","8.8088","0.0013","16.589","0.003","17.178","0.003","117.735","0.017","95.132","0.018","97.491","0.017","2170.4","0.8","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C95 H120 Cl2 N2 O9 -","- C91 H108 Cl2 N2 O7 -","- C91 H108 Cl2 N2 O7 -","1","0.5","","Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas","Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances","Chemistry of Materials","2013","25","21","4340","","10.1021/cm4029484","","x-ray","0.6889","Synchrotron","","0.0824","0.061","","","0.1805","0.1943","","","","","","1.076","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001853","19.637","0.007","8.175","0.003","23.803","0.008","90","","112.222","0.004","90","","3537","2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88 H88 N2 O6 -","- C88 H80 N2 O5.4 -","- C176 H160 N4 O10.8 -","2","0.5","","Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas","Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances","Chemistry of Materials","2013","25","21","4340","","10.1021/cm4029484","","x-ray","0.6889","Synchrotron","","0.0751","0.0519","","","0.1337","0.1449","","","","","","1.038","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001854","4.5246","0.0002","21.9437","0.001","13.2001","0.0006","90","","90","","90","","1310.59","0.1","100","2","100","2","","","","","","","","2","C m c m","-C 2c 2","63","Lithium Silicide","","","- Li4.106 Si -","- Li4.10625 Si -","- Li65.7 Si16 -","16","1","","Zeilinger, Michael; Kurylyshyn, Iryna M.; Häussermann, Ulrich; Fässler, Thomas F.","Revision of the Li‒Si Phase Diagram: Discovery and Single-Crystal X-ray Structure Determination of the High-Temperature Phase Li4.11Si","Chemistry of Materials","2013","25","22","4623","","10.1021/cm4029885","","","0.71073","MoKα","","0.0171","0.012","","","0.0274","0.0294","","","","","","1.087","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001855","4.5467","0.0009","22.065","0.004","13.24","0.003","90","","90","","90","","1328.3","0.5","298","2","298","2","","","","","","","","2","C m c m","-C 2c 2","63","Lithium Silicide","","","- Li4.105 Si -","- Li4.1045 Si -","- Li65.672 Si16 -","16","1","","Zeilinger, Michael; Kurylyshyn, Iryna M.; Häussermann, Ulrich; Fässler, Thomas F.","Revision of the Li‒Si Phase Diagram: Discovery and Single-Crystal X-ray Structure Determination of the High-Temperature Phase Li4.11Si","Chemistry of Materials","2013","25","22","4623","","10.1021/cm4029885","","","0.71073","MoKα","","0.0213","0.0188","","","0.0311","0.0319","","","","","","1.206","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001856","18.8164","0.0001","18.8164","0.0001","18.8164","0.0001","90","","90","","90","","6662.08","0.06","100","2","100","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- B18 H6 O63 V12 Zn3 -","- B18 H6 O63 V12 Zn3 -","- B72 H24 O252 V48 Zn12 -","4","0.166667","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","1.5418","CuKα","","0.0451","0.0411","","","0.136","0.1404","","","","","","0.963","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001857","32.7924","0.0001","32.7924","0.0001","28.322","0.0002","90","","90","","90","","30455.8","0.3","293","2","","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H36 B18 N6 O61 V12 Zn2 -","- C8 H36 B18 N6 O61 V12 Zn2 -","- C128 H576 B288 N96 O976 V192 Zn32 -","16","0.5","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.6889","synchrotron","","0.0368","0.036","","","0.1694","0.172","","","","","","1.099","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001858","18.9594","0.0004","18.5495","0.0003","19.4909","0.0004","90","","94.065","0.002","90","","6837.5","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B18 H6 O60 V12 -","- B18 H6 O60 V12 -","- B72 H24 O240 V48 -","4","0.5","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.71073","MoKα","","0.0557","0.0401","","","0.1027","0.1083","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001859","22.0072","0.0006","22.0072","0.0006","11.2578","0.0004","90","","90","","120","","4721.9","0.2","373","2","373","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 B27 N18 O90 V18 -","- C18 B27 N18 O90 V18 -","- C36 B54 N36 O180 V36 -","2","0.111111","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","1.54184","CuKα","","0.0717","0.0661","","","0.1826","0.187","","","","","","1.142","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001860","18.9393","0.0002","18.9393","0.0002","18.9393","0.0002","90","","90","","90","","6793.47","0.12","298","2","298","2","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- B36 Ni6 O132 V24 -","- B36 Ni6 O132 V24 -","- B72 Ni12 O264 V48 -","2","0.0833333","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.71073","MoKα","","0.1027","0.0675","","","0.1732","0.1918","","","","","","1.036","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001861","18.9341","0.0003","18.9341","0.0003","18.9341","0.0003","90","","90","","90","","6787.88","0.19","298","2","298","2","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- B24 Mn4 O88 V16 -","- B24 Mn4 O88 V16 -","- B72 Mn12 O264 V48 -","3","0.125","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.71073","MoKα","","0.0903","0.0684","","","0.1854","0.2008","","","","","","1.184","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001947","13.0397","0.0012","13.0397","0.0012","6.3042","0.0012","90","","90","","90","","1071.9","0.2","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba Cu0.25 Ga1.25 S3 -","- Ba Cu0.25 Ga1.25 S3 -","- Ba8 Cu2 Ga10 S24 -","8","1","","Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response","Chemistry of Materials","2013","25","12","2427","","10.1021/cm400311v","","","0.71073","MoKα","","0.0212","0.0211","","","0.0577","0.0578","","","","","","1.181","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001948","13.1585","0.0002","13.1585","0.0002","6.352","0.0002","90","","90","","90","","1099.82","0.04","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- Ba Cu0.25 Ga1.25 S2.32 Se0.68 -","- Ba Cu0.25 Ga1.25 S2.248 Se0.719 -","- Ba8 Cu2 Ga10 S17.984 Se5.752 -","8","1","","Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response","Chemistry of Materials","2013","25","12","2427","","10.1021/cm400311v","","","0.71073","MoKα","","0.0193","0.0181","","","0.0398","0.0402","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001949","13.5975","0.0014","13.5975","0.0014","6.5266","0.0013","90","","90","","90","","1206.7","0.3","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba Cu0.25 Ga1.25 Se3 -","- Ba Cu0.25 Ga1.25 Se3 -","- Ba8 Cu2 Ga10 Se24 -","8","1","","Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response","Chemistry of Materials","2013","25","12","2427","","10.1021/cm400311v","","","0.71073","MoKα","","0.0278","0.0264","","","0.0665","0.0673","","","","","","1.138","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001950","41.257","0.006","10.1464","0.0014","24.038","0.004","90","","96.739","0.004","90","","9993","3","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","10132","","","- C46 H36 -","- C46 H36 -","- C552 H432 -","12","1.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0919","0.0475","","","0.097","0.1131","","","","","","1.017","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001951","12.7495","0.001","9.4141","0.0007","14.5027","0.0011","90","","99.576","0.002","90","","1716.4","0.2","173","2","173","2","","","","","","","","2","P 1 21 1","P 2yb","4","10150","","","- C48 H40 -","- C48 H40 -","- C96 H80 -","2","1","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0606","0.0431","","","0.0958","0.1051","","","","","","1.024","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001952","15.2045","0.0008","13.901","0.0008","14.3104","0.0008","90","","90","","90","","3024.6","0.3","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","11253b","","","- C44 H32 -","- C44 H32 -","- C176 H128 -","4","1","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0635","0.0421","","","0.0861","0.0964","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001953","7.1443","0.0006","14.051","0.0012","34.143","0.003","90","","90","","90","","3427.4","0.5","123","2","123","2","","","","","","","","3","P b c m","-P 2c 2b","57","11079_0m","","","- C46 H30 F6 -","- C46 H30 F6 -","- C184 H120 F24 -","4","0.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.1207","0.0952","","","0.2648","0.2828","","","","","","1.143","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001954","7.5317","0.001","14.634","0.002","32.424","0.004","90","","90","","90","","3573.7","0.8","123","2","123","2","","","","","","","","3","P b c m","-P 2c 2b","57","11008a","","","- C48 H34 F6 -","- C48 H34 F6 -","- C192 H136 F24 -","4","0.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0976","0.0761","","","0.2043","0.2221","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001955","7.1162","0.0005","31.179","0.002","14.2075","0.001","90","","90","","90","","3152.3","0.4","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","11080","","","- C44 H26 F6 -","- C44 H26 F6 -","- C176 H104 F24 -","4","0.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0736","0.0459","","","0.1241","0.1477","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002851","27.3847","0.001","5.01906","0.00016","17.1935","0.0006","90","","97.3103","0.002","90","","2343.96","0.14","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 Cl N3 O5 -","- C25 H22 Cl N3 O5 -","- C100 H88 Cl4 N12 O20 -","4","1","","Dmytro V. Dudenko; P. Andrew Williams; Colan E. Hughes; Oleg N. Antzutkin; Sitaram P. Velaga; Steven P. Brown; Kenneth D. M. Harris","Exploiting the Synergy of Powder X-ray Diffraction and Solid-State NMR Spectroscopy in Structure Determination of Organic Molecular Solids","The Journal of Physical Chemistry. C, Nanomaterials and Interfaces","2013","13","","12258","12265","10.1021/jp4041106","powder diffraction","","","","","","","","","","","","","1.33","","","","","","","has coordinates","201403","2020-10-21","18:00:00",""
"4027832","8.0216","0.0009","9.3199","0.001","10.0691","0.0011","79.315","0.002","72.178","0.002","76.04","0.002","690.39","0.13","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N O4 -","- C15 H23 N O4 -","- C30 H46 N2 O8 -","2","1","","Stephen M. Canham; David J. France; Larry E. Overman","Total Synthesis of (+)-Sieboldine A: Evolution of a Pinacol-Terminated Cyclization Strategy","Journal of Organic Chemistry","2013","78","","9","34","10.1021/jo300872y","","","0.71073","MoKα","","0.0519","0.0369","","","0.0896","0.1","","","","","","1.022","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027833","8.3685","0.0003","10.298","0.0004","12.6902","0.0005","70.9236","0.0004","83.1057","0.0004","72.6356","0.0004","986.16","0.07","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O5 -","- C23 H29 N O5 -","- C46 H58 N2 O10 -","2","1","","Stephen M. Canham; David J. France; Larry E. Overman","Total Synthesis of (+)-Sieboldine A: Evolution of a Pinacol-Terminated Cyclization Strategy","Journal of Organic Chemistry","2013","78","","9","34","10.1021/jo300872y","","","0.71073","MoKα","","0.0384","0.0358","","","0.0955","0.0979","","","","","","1.048","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027834","8.2418","0.0007","21.0733","0.0017","14.2997","0.0012","90","","102.257","0.001","90","","2427","0.3","98","2","98","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H32 N2 O9 S -","- C24 H32 N2 O9 S -","- C96 H128 N8 O36 S4 -","4","1","","Stephen M. Canham; David J. France; Larry E. Overman","Total Synthesis of (+)-Sieboldine A: Evolution of a Pinacol-Terminated Cyclization Strategy","Journal of Organic Chemistry","2013","78","","9","34","10.1021/jo300872y","","","0.71073","MoKα","","0.0264","0.0251","","","0.0635","0.0645","","","","","","1.019","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027835","8.9733","0.0018","19.948","0.004","34.123","0.007","90","","90","","90","","6108","2","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C36 H44 O6 -","- C36 H44 O6 -","- C288 H352 O48 -","8","1","","Jihong Gao; Josephine Orso Simon; Russell Rodrigo; Abdeljalil Assoud","From Chiral ortho-Benzoquinone Monoketals to Nonracemic Indolinocodeines through Diels-Alder and Cope Reactions","Journal of Organic Chemistry","2013","78","","48","58","10.1021/jo3014098","","","0.71073","MoKα","","0.075","0.0607","","","0.1117","0.1158","","","","","","1.307","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027836","9.7491","0.0015","21.6842","0.0017","9.9916","0.0014","90","","105.495","0.011","90","","2035.5","0.5","250","","250","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 O2 -","- C21 H36 O2 -","- C84 H144 O8 -","4","1","","Aurélien Denichoux; Laurent Debien; Mathieu Cyklinsky; Malika Kaci; Fabrice Chemla; Franck Ferreira; Alejandro Pérez-Luna","Three-Carbon Homologation of Diorganozincs with Lithiated Acetylenic Epoxides","Journal of Organic Chemistry","2013","78","","134","145","10.1021/jo302128n","","","0.71073","MoKα","","0.1055","0.0511","","0.0921","0.0571","0.0571","","","","","","1.0129","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027837","8.2811","0.0008","21.745","0.002","7.6197","0.0008","90","","90.755","0.007","90","","1372","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O3 -","- C18 H13 N O3 -","- C72 H52 N4 O12 -","4","1","","Nayyef Aljaar; Chandi C. Malakar; Jürgen Conrad; Wolfgang Frey; Uwe Beifuss","Reaction of 1-Nitroso-2-naphthols with α-Functionalized Ketones and Related Compounds: The Unexpected Formation of Decarbonylated 2-Substituted Naphtho[1,2-d][1,3]oxazoles","Journal of Organic Chemistry","2013","78","","154","166","10.1021/jo3022956","","","0.71073","MoKα","","0.0985","0.047","","","0.0874","0.0974","","","","","","1.057","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027838","9.1901","0.0002","13.8414","0.0002","10.03","0.0002","90","","104.9","0.001","90","","1232.96","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H10 P2 S6 -","- C5 H10 P2 S6 -","- C20 H40 P8 S24 -","4","1","","Aviran Amir; Alon H. Sayer; Rostislav Zagalsky; Linda J. W. Shimon; Bilha Fischer","O,O'-Diester Methylenediphosphonotetrathioate: Synthesis, Characterization, and Potential Applications","Journal of Organic Chemistry","2013","78","","270","277","10.1021/jo301786m","","","0.71073","MoKα","","0.042","0.0361","","","0.0941","0.0992","","","","","","1.136","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027839","8.6963","0.0002","10.4629","0.0003","25.1241","0.0007","90","","90","","90","","2286","0.11","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F3 N2 O5 S2 -","- C19 H25 F3 N2 O5 S2 -","- C76 H100 F12 N8 O20 S8 -","4","1","","William J. Morris; Kiran K. Muppalla; Cameron Cowden; Richard G. Ball","Stereoselective Addition of 2-Phenyloxazol-4-yl Trifluoromethanesulfonate to N-Sulfinyl Imines: Application to the Synthesis of the HCV Protease Inhibitor Boceprevir","Journal of Organic Chemistry","2013","78","","706","710","10.1021/jo301856f","","","0.7107","MoKα","","","0.03","","","0.07","0.073","","","","","","1.043","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027840","10.515","0.002","10.515","0.002","6.565","0.003","90","","90","","120","","628.6","0.3","130","2","130","2","","","","","","","","3","P 31","P 31","144","","","","- C9 H16 O -","- C9 H16 O -","- C27 H48 O3 -","3","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0598","0.0421","","","0.0701","0.0781","","","","","","0.885","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027841","10.2043","0.0006","11.1772","0.0007","12.159","0.0008","90","","90","","90","","1386.8","0.15","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0391","0.0378","","","0.0976","0.0986","","","","","","1.025","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027842","9.7057","0.0008","11.5435","0.0009","29.504","0.002","90","","90","","90","","3305.6","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C128 H144 N16 O48 -","8","2","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0903","0.0438","","","0.0639","0.0731","","","","","","0.699","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027843","7.0798","0.0002","32.916","0.0006","7.4809","0.0002","90","","113.621","0.003","90","","1597.28","0.08","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","2","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","1.54184","CuKα","","0.0379","0.0353","","","0.0945","0.0957","","","","","","1.022","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027844","7.7048","0.0007","9.761","0.0009","9.6507","0.0009","90","","98.352","0.002","90","","718.1","0.11","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0347","0.0334","","","0.0795","0.0804","","","","","","1.043","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027845","10.6165","0.0007","10.9588","0.0011","11.8491","0.001","90","","90","","90","","1378.6","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","1.54184","CuKα","","0.0536","0.0373","","","0.0792","0.0832","","","","","","0.838","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027846","18.527","0.0003","7.489","0.0001","11.4673","0.0002","90","","96.453","0.002","90","","1580.99","0.04","130","2","130","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","1.54184","CuKα","","0.0364","0.0351","","","0.0974","0.0986","","","","","","1.05","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027847","7.2654","0.0006","8.3363","0.0007","12.6898","0.0011","90","","105.698","0.001","90","","739.91","0.11","130","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Shinn Dee Yeoh; Colin E. Skene; Jonathan M. White","Hyperconjugation Involving Strained Carbon-Carbon Bonds. Structural Analysis of Ester and Ether Derivatives and One-Bond 13C-13C Coupling Constants of α- and β-Nopinol","Journal of Organic Chemistry","2013","78","","311","319","10.1021/jo3020243","","","0.71073","MoKα","","0.0304","0.0299","","","0.0764","0.0768","","","","","","1.09","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027848","10.054","0.003","12.268","0.003","14.045","0.003","90","","90","","90","","1732.3","0.8","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Nucleoside","","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C84 H76 N12 O12 -","4","1","","Subhendu Sekhar Bag; Sangita Talukdar; Katsuhiko Matsumoto; Rajen Kundu","Triazolyl Donor/Acceptor Chromophore Decorated Unnatural Nucleosides and Oligonucleotides with Duplex Stability Comparable to That of a Natural Adenine/Thymine Pair","Journal of Organic Chemistry","2013","78","","278","291","10.1021/jo302033f","","x-ray","0.71073","MoKα","","0.1127","0.0522","","","0.0997","0.1184","","","","","","0.961","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027849","8.375","0.004","12.038","0.006","18.163","0.009","101.924","0.01","99.082","0.009","106.005","0.009","1676.7","1.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 N2 P2 Pd -","- C32 H56 N2 P2 Pd -","- C64 H112 N4 P4 Pd2 -","2","1","","Xiaotao Pu; Hongbo Li; Thomas J. Colacot","Heck Alkynylation (Copper-Free Sonogashira Coupling) of Aryl and Heteroaryl Chlorides, Using Pd Complexes of t-Bu2(p-NMe2C6H4)P: Understanding the Structure-Activity Relationships and Copper Effects","Journal of Organic Chemistry","2013","78","","568","581","10.1021/jo302195y","","","0.71073","MoKα","","0.1055","0.0728","","","0.1787","0.2024","","","","","","1.053","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027850","12.3722","0.0006","8.8919","0.0004","20.1596","0.001","90","","92.913","0.003","90","","2214.94","0.18","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Alkyidene Furan","(Z)-N-(2-(5,5-diphenyldihydrofuran-3(2H)-ylidene)ethyl) -4-methylbenzenesulfonamide","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Venkataraman Ganesh; Taraknath Kundu; Srinivasan Chandrasekaran","Electrophile-Induced C-C Bond Activation of Vinylcyclopropanes for the Synthesis of Z-Alkylidenetetrahydrofurans","Journal of Organic Chemistry","2013","78","","380","399","10.1021/jo302204k","","","0.71073","MoKα","","0.1425","0.0564","","","0.1335","0.1572","","","","","","0.959","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027851","15.003","0.003","5.577","0.0011","17.973","0.004","90","","102.02","0.004","90","","1470.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N2 S2 -","- C30 H40 N2 S2 -","- C60 H80 N4 S4 -","2","0.5","","Yu Xiong; Qinghe Wu; Jie Li; Shitao Wang; Xike Gao; Hongxiang Li","Electron-Rich Pyrroloindacenodithiophenes: Synthesis, Characterization, and Spectroscopic Studies","Journal of Organic Chemistry","2013","78","","752","756","10.1021/jo3022154","","","0.71073","MoKα","","0.0957","0.062","","","0.1571","0.1761","","","","","","1.045","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027852","35.045","0.003","5.4519","0.0005","24.299","0.002","90","","117.063","0.002","90","","4134.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H48 N2 S2 -","- C42 H48 N2 S2 -","- C168 H192 N8 S8 -","4","0.5","","Yu Xiong; Qinghe Wu; Jie Li; Shitao Wang; Xike Gao; Hongxiang Li","Electron-Rich Pyrroloindacenodithiophenes: Synthesis, Characterization, and Spectroscopic Studies","Journal of Organic Chemistry","2013","78","","752","756","10.1021/jo3022154","","","0.71073","MoKα","","0.0781","0.0666","","","0.1593","0.1669","","","","","","1.089","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027853","9.9283","0.0006","17.019","0.002","16.7464","0.001","90","","96.924","0.005","90","","2809","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H27 N3 O4 -","- C36 H27 N3 O4 -","- C144 H108 N12 O16 -","4","1","","Xinyao Li; Jiaxi Xu","Annuloselectivity in Cycloadditions of Ketenes with Imines: A DFT Study","Journal of Organic Chemistry","2013","78","","347","355","10.1021/jo302216d","","","0.7107","MoKα","","0.0894","0.0543","","","0.0966","0.1105","","","","","","1.057","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027854","17.3383","0.0013","10.5149","0.0008","12.2836","0.0009","90","","98.172","0.001","90","","2216.7","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 F N O6 -","- C18 H30 F N O6 -","- C72 H120 F4 N4 O24 -","4","1","","Gaëlle Milanole; Samuel Couve-Bonnaire; Jean-François Bonfanti; Philippe Jubault; Xavier Pannecoucke","Synthesis of Fluorinated Cyclopropyl Amino Acid Analogues: Toward the Synthesis of Original Fluorinated Peptidomimetics.","Journal of Organic Chemistry","2013","78","","212","223","10.1021/jo302222n","","x-ray","0.71073","MoKα","","0.0803","0.0527","","","0.142","0.1616","","","","","","1.046","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027855","8.551","0.001","21.374","0.004","17.241","0.002","90","","104.26","0.01","90","","3054","0.8","293","2","293","2","","","","","","","prof.Paolo Quadrelli","4","P 1 21/c 1","-P 2ybc","14","","N-mesitoyl-3,3-dimethyl-5-hydroxyl-isoxazolidine","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C120 H168 N8 O24 -","8","2","","Paolo Quadrelli; Mariella Mella; Serena Carosso; Bruna Bovio","N,O-Nucleosides from Ene Reactions of Nitrosocarbonyl Intermediates with the 3-Methyl-2-buten-1-ol","Journal of Organic Chemistry","2013","78","","516","526","10.1021/jo302346a","","","0.710738","MoKα","","","0.0482","","","","0.1121","","","","","","0.871","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027856","7.7285","0.0015","15.223","0.003","27.208","0.005","95.5","0.03","94.23","0.03","100.07","0.03","3123.8","1.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H44 O10 -","- C33 H44 O10 -","- C132 H176 O40 -","4","2","","Graham K. Murphy; Tatsuya Shirahata; Naoto Hama; Aaron Bedermann; Ping Dong; Travis C. McMahon; Barry M. Twenter; David A. Spiegel; Ivar M. McDonald; Nobuaki Taniguchi; Munenori Inoue; John L. Wood","Toward the Synthesis of Phomoidride D","Journal of Organic Chemistry","2013","78","","477","489","10.1021/jo302353g","","","0.71073","MoKα","","0.1648","0.0746","","","0.1749","0.2127","","","","","","1.063","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027857","21.99","0.004","15.567","0.003","22.168","0.004","90","","97.75","0.03","90","","7519","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H52 O8 S4 -","- C37 H52 O8 S4 -","- C296 H416 O64 S32 -","8","2","","Graham K. Murphy; Tatsuya Shirahata; Naoto Hama; Aaron Bedermann; Ping Dong; Travis C. McMahon; Barry M. Twenter; David A. Spiegel; Ivar M. McDonald; Nobuaki Taniguchi; Munenori Inoue; John L. Wood","Toward the Synthesis of Phomoidride D","Journal of Organic Chemistry","2013","78","","477","489","10.1021/jo302353g","","","0.71073","MoKα","","0.1542","0.0717","","","0.1646","0.2028","","","","","","1.04","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027858","5.7281","0.0009","26.834","0.004","8.6983","0.0014","90","","97.977","0.004","90","","1324.1","0.4","143","1","143","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O6 -","- C17 H12 O6 -","- C68 H48 O24 -","4","1","","Erin E. Podlesny; Marisa C. Kozlowski","Divergent Approach to the Bisanthraquinone Natural Products: Total Synthesis of (S)-Bisoranjidiol and Derivatives from Binaphtho-para-quinones","Journal of Organic Chemistry","2013","78","","466","476","10.1021/jo302364h","","","0.71073","MoKα","","0.0529","0.0478","","","0.131","0.1363","","","","","","1.068","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027859","9.138","0.0006","9.382","0.0006","17.5827","0.0012","90","","90","","90","","1507.41","0.17","160","1","160","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R)-3-acetamido-3-methyl-1-[1-(1S)-(N-methylcarbamoyl)phenylmethyl]azetidin- 2-one","","- C15 H19 N3 O3 -","- C15 H19 N3 O3 -","- C60 H76 N12 O12 -","4","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.059","0.0457","","","0.1097","0.1208","","","","","","1.073","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027860","5.7004","0.0002","7.3619","0.0003","8.3143","0.0003","108.938","0.0017","90.932","0.002","104.803","0.002","317.19","0.02","160","1","160","1","","","","","","","","4","P 1","P 1","1","","(3R)-3-acetamido-3-methyl-1-[1-(N-methylcarbamoyl)isopropyl]azetidin-2-one","","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","- C11 H19 N3 O3 -","1","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.0421","0.039","","","0.0987","0.102","","","","","","1.091","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027861","9.5901","0.0003","10.9851","0.0003","13.8555","0.0004","90","","96.0403","0.0016","90","","1451.55","0.07","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-{(3R)-benzyl-3-[2-(tert-butoxycarbonylamino)-(2R)-propanamido]- 2-oxoazetidin-1-yl}-2-methylpro panamido)-(2R)-propanamide","","- C26 H41 N5 O7 -","- C26 H41 N5 O7 -","- C52 H82 N10 O14 -","2","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.0703","0.0439","","","0.0976","0.1115","","","","","","1.022","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027862","10.4604","0.0002","9.9778","0.0002","14.1658","0.0003","90","","106.443","0.0011","90","","1418.04","0.05","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","2-(2-{(3R)-benzyl-3-[2-(tert-butoxycarbonylamino)-(2S)-propanamido]- 2-oxoazetidin-1-yl}-2-methylpro panamido)-(2R)-propanamide","","- C25 H39 N5 O7 -","- C25 H39 N5 O7 -","- C50 H78 N10 O14 -","2","1","","Jesus M. Aizpurua; Claudio Palomo; Eva Balentová; Azucena Jimenez; Elena Andreieff; Maialen Sagartzazu-Aizpurua; José Ignacio Miranda; Anthony Linden","Chirality-Driven Folding of Short β-Lactam Pseudopeptides","Journal of Organic Chemistry","2013","78","","224","237","10.1021/jo302368y","","","0.71073","MoKα","","0.0619","0.0537","","","0.1409","0.1478","","","","","","1.071","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027863","7.3928","0.0006","9.1829","0.0008","14.4452","0.0013","87.961","0.007","86.302","0.007","71.408","0.008","927.42","0.15","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br N3 O3 -","- C22 H14 Br N3 O3 -","- C44 H28 Br2 N6 O6 -","2","1","","Subburethinam Ramesh; Rajagopal Nagarajan","A Formal Synthesis of Lavendamycin Methyl Ester, Nitramarine, and Their Analogues: A Povarov Approach","Journal of Organic Chemistry","2013","78","","545","558","10.1021/jo302389s","","","0.71073","MoKα","","0.0476","0.0353","","","0.0779","0.0831","","","","","","1.028","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027864","7.5921","0.0005","12.0779","0.0009","18.0873","0.0014","90","","90","","90","","1658.5","0.2","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 Br F N2 O4 -","- C17 H12 Br F N2 O4 -","- C68 H48 Br4 F4 N8 O16 -","4","1","","Wen-Ting Meng; Yan Zheng; Jing Nie; Heng-Ying Xiong; Jun-An Ma","Organocatalytic Asymmetric One-Pot Sequential Conjugate Addition/Dearomative Fluorination: Synthesis of Chiral Fluorinated Isoxazol-5(4H)-ones","Journal of Organic Chemistry","2013","78","","559","567","10.1021/jo302419e","","","0.71073","MoKα","","0.0441","0.0374","","","0.0846","0.0888","","","","","","0.945","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027865","9.202","0.002","14.17","0.003","9.299","0.002","90","","98.369","0.006","90","","1199.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H23 N O3 -","- C30 H23 N O3 -","- C60 H46 N2 O6 -","2","1","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.0723","0.0577","","","0.1276","0.1333","","","","","","0.928","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027866","11.325","0.002","13.892","0.002","17.405","0.003","90","","90","","90","","2738.3","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 N O4 -","- C33 H29 N O4 -","- C132 H116 N4 O16 -","4","1","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.0972","0.0485","","","0.1071","0.1234","","","","","","0.984","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027867","11.7329","0.0012","13.8113","0.0015","16.8109","0.0018","90","","90","","90","","2724.1","0.5","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 Cl2 N O3 -","- C31 H25 Cl2 N O3 -","- C124 H100 Cl8 N4 O12 -","4","1","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.062","0.0527","","","0.1425","0.1527","","","","","","1.04","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027868","11.536","0.002","16.964","0.003","13.756","0.002","90","","96.314","0.002","90","","2675.7","0.8","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H25 N2 O3 -","- C32 H25 N2 O3 -","- C128 H100 N8 O12 -","4","2","","Yuichi Kitamoto; Kazumi Suzuki; Naoya Morohashi; Kenichi Sakai; Tetsutaro Hattori","Switching of the Diastereomer Deposited during the Crystallization of N-[(S)-1-Phenylethyl]-2'-carbamoyl-1,1'-binaphthalene-2-carboxylic Acid: Investigation of the Mechanism of Dielectrically Controlled Resolution","Journal of Organic Chemistry","2013","78","","597","605","10.1021/jo3024285","","","0.71073","MoKα","","0.0664","0.0525","","","0.1446","0.1551","","","","","","1.077","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027869","11.308","0.002","7.4047","0.0015","14.748","0.003","90","","101.928","0.012","90","","1208.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-dimethyl-4-(3-methyl-1H-indazol-1-yl)-1H-pyrrole-2,5-dione","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C56 H52 N12 O8 -","4","1","","Maria I. L. Soares; Cláudio M. Nunes; Clara S. B. Gomes; Teresa M. V. D. Pinho e Melo","Thiazolo[3,4-b]indazole-2,2-dioxides as Masked Extended Dipoles: Pericyclic Reactions of Benzodiazafulvenium Methides","Journal of Organic Chemistry","2013","78","","628","637","10.1021/jo302463q","","x-ray","0.71073","MoKα","","0.0504","0.0389","","","0.1082","0.1145","","","","","","1.084","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027870","8.8106","0.0011","9.7886","0.0014","16.251","0.002","73.623","0.008","87.036","0.007","63.785","0.007","1202","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H40 O3 Si -","- C24 H40 O3 Si -","- C48 H80 O6 Si2 -","2","1","","J. Stephen Clark; Raphaëlle Berger; Stewart T. Hayes; Hans Martin Senn; Louis J. Farrugia; Lynne H. Thomas; Angus J. Morrison; Luca Gobbi","Total Syntheses of Multiple Cladiellin Natural Products by Use of a Completely General Strategy","Journal of Organic Chemistry","2013","78","","673","696","10.1021/jo302542h","","","0.71073","MoKα","","0.0766","0.0501","","","0.1248","0.1386","","","","","","1.04","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027871","11.0342","0.0008","17.6915","0.0014","18.4903","0.0015","90","","90","","90","","3609.5","0.5","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C160 H256 O16 -","8","2","","J. Stephen Clark; Raphaëlle Berger; Stewart T. Hayes; Hans Martin Senn; Louis J. Farrugia; Lynne H. Thomas; Angus J. Morrison; Luca Gobbi","Total Syntheses of Multiple Cladiellin Natural Products by Use of a Completely General Strategy","Journal of Organic Chemistry","2013","78","","673","696","10.1021/jo302542h","","x-ray","0.71073","MoKα","","0.1334","0.0601","","","0.1085","0.1257","","","","","","0.957","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027872","6.9388","0.0006","8.185","0.001","33.548","0.003","90","","90","","90","","1905.3","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 O4 -","- C20 H34 O4 -","- C80 H136 O16 -","4","1","","J. Stephen Clark; Raphaëlle Berger; Stewart T. Hayes; Hans Martin Senn; Louis J. Farrugia; Lynne H. Thomas; Angus J. Morrison; Luca Gobbi","Total Syntheses of Multiple Cladiellin Natural Products by Use of a Completely General Strategy","Journal of Organic Chemistry","2013","78","","673","696","10.1021/jo302542h","","","0.71075","MoKα","","0.12","0.0743","","","","0.0957","","","","","","1.045","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027873","8.0076","0.0003","10.9331","0.0005","12.8196","0.0006","81.88","0.002","89.829","0.002","75.752","0.002","1076.31","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","[2R,1'S,2'S,1''R,(S)S] -2-[2'-(1''-Hydroxyisopropyl)-3'-oxocyclopentyl]- 2-[2-(p-tolylsulfinyl)phenyl]propanenitrile","","- C25 H29 N O3 S -","- C25 H29 N O3 S -","- C50 H58 N2 O6 S2 -","2","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","0.71073","MoKα","","0.0435","0.0342","","","0.0811","0.091","","","","","","1.06","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027874","18.156","0.004","10.473","0.002","16.106","0.004","90","","98.386","0.012","90","","3029.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[1S,1'S,2'S,1''R,(S)S] - N-[1-(2'-{1''-Cyano-1''-[2-(p-tolyl sulfinyl)phenyl]ethyl}-5'-oxocyclopentyl)-1-(phenyl)methyl-p-toluenesulfonamide","","- C35 H34 N2 O4 S2 -","- C35 H34 N2 O4 S2 -","- C140 H136 N8 O16 S8 -","4","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","0.71073","MoKα","","0.0769","0.0446","","","0.1084","0.1321","","","","","","1.052","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027875","8.4418","0.0014","8.2966","0.0015","13.3072","0.0019","90","","107.831","0.008","90","","887.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,1'S)-2-(3'-Oxocyclopentyl)-2-[2-(p-tolylsulfonyl)phenyl]propanenitrile","","- C21 H21 N O3 S -","- C21 H21 N O3 S -","- C42 H42 N2 O6 S2 -","2","1","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","0.71073","MoKα","","0.0826","0.0539","","","0.1315","0.1498","","","","","","1.082","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027876","8.7205","0.0004","8.3352","0.0003","26.3932","0.001","90","","98.68","0.002","90","","1896.47","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R,1'S,2'R)-2-(2'-Methyl-3'-oxocyclopentyl)-2-[2-(p-tolylsulfonyl)- phenyl]propanenitrile","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","2","","José Luis García Ruano; Esther Torrente; Ana M. Martín-Castro","Use of Lithiated Chiralo-Sulfinylbenzyl Carbanions for the One-Pot Building of Linear Fragments Containing up to Four Connected Stereocenters","Journal of Organic Chemistry","2013","78","","647","657","10.1021/jo3025434","","","1.54178","CuKα","","0.0522","0.0501","","","0.127","0.1286","","","","","","1.105","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027877","9.634","0.0009","20.589","0.001","9.671","0.001","90","","102.47","0.01","90","","1873","0.3","293","2","293","2","","","","","","","Prof. Paolo Quadrelli","4","P 1 21/n 1","-P 2yn","14","","N-Anthryl-3,3-dimethyl-5-hydroxyl-isoxazolidin acetate","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","","Paolo Quadrelli; Mariella Mella; Serena Carosso; Bruna Bovio","N,O-Nucleosides from Ene Reactions of Nitrosocarbonyl Intermediates with the 3-Methyl-2-buten-1-ol","Journal of Organic Chemistry","2013","78","","516","526","10.1021/jo302346a","","","0.710738","MoKα","","0.098","0.0414","","","","0.133","","","","","","0.989","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027878","12.737","0.003","6.8278","0.0014","13.272","0.003","90","","107.93","0.03","90","","1098.2","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H37 N O4 -","- C22 H37 N O4 -","- C44 H74 N2 O8 -","2","1","","Houhua Li; Xiaoming Wang; Benke Hong; Xiaoguang Lei","Collective Synthesis of Lycopodium Alkaloids and Tautomer Locking Strategy for the Total Synthesis of (-)-Lycojapodine A","Journal of Organic Chemistry","2013","78","","800","821","10.1021/jo3017555","","","0.71073","MoKα","","0.0748","0.0675","","","0.1934","0.2093","","","","","","1.328","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027879","9.475","0.005","11.821","0.005","13.921","0.005","90","0.005","101.921","0.005","90","0.005","1525.6","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H48 N O S -","- C34 H47 N O S -","- C68 H94 N2 O2 S2 -","2","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1464","0.0939","","","0.2198","0.2762","","","","","","1.056","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027880","6.9982","0.0012","13.753","0.004","24.403","0.007","90","","90","","90","","2348.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N3 O6 S -","- C23 H23 N3 O6 S -","- C92 H92 N12 O24 S4 -","4","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1397","0.0664","","","0.0778","0.098","","","","","","1.013","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027881","6.604","0.005","15.955","0.005","22.405","0.005","90","0.005","90","0.005","90","0.005","2361","2","293","2","293","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C23 H23 N3 O6 S -","- C23 H23 N3 O6 S -","- C92 H92 N12 O24 S4 -","4","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1595","0.0767","","","0.1703","0.2182","","","","","","1.152","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027882","9.975","0.005","6.85","0.005","15.836","0.005","90","0.005","104.034","0.005","90","0.005","1049.8","1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H23 N3 O6 S -","- C19 H23 N3 O6 S -","- C38 H46 N6 O12 S2 -","2","1","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.0952","0.0518","","","0.1082","0.1365","","","","","","0.946","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4027883","5.9102","0.0011","19.665","0.003","16.793","0.003","90","","91.701","0.017","90","","1950.9","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H23 N O6 S -","- C19 H23 N O6 S -","- C76 H92 N4 O24 S4 -","4","2","","Dhananjay Kumar; Amrita Mishra; Bhuwan B. Mishra; Subrato Bhattacharya; Vinod K. Tiwari","Synthesis of Glycoconjugate Benzothiazoles via Cleavage of Benzotriazole Ring","Journal of Organic Chemistry","2013","78","","899","909","10.1021/jo3021049","","","0.71073","MoKα","","0.1855","0.0957","","","0.1918","0.2398","","","","","","0.993","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027884","6.4421","0.0001","13.8099","0.0003","25.0821","0.0005","90","","94.746","0.001","90","","2223.77","0.07","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C21 H23 Br N2 O7 S -","- C21 H23 Br N2 O7 S -","- C84 H92 Br4 N8 O28 S4 -","4","2","","Michelle Bezanson; Joshua Pottel; Rana Bilbeisi; Sylvestre Toumieux; Mickaël Cueto; Nicolas Moitessier","Stereo- and Regioselective Synthesis of Polysubstituted Chiral 1,4-Oxazepanes","Journal of Organic Chemistry","2013","78","","872","885","10.1021/jo3021715","","","1.54178","CuKα","","0.0238","0.0235","","","0.0629","0.0632","","","","","","1.069","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027885","8.0091","0.0003","12.2395","0.0006","16.3039","0.0007","90","","90","","90","","1598.23","0.12","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O3 -","- C16 H18 Br N O3 -","- C64 H72 Br4 N4 O12 -","4","1","","Ai-Bao Xia; Chao Wu; Dan-Qian Xu; Yi-Feng Wang; Xiao-Hua Du; Zhao-Bo Li; Zhen-Yuan Xu","Prolinethiol Ether Catalysis in an Asymmetric Michael Reaction: Solvent-Free Synthesis of Functionalized Monohaloalkenes","Journal of Organic Chemistry","2013","78","","1254","1259","10.1021/jo302288z","","","0.71073","MoKα","","0.0861","0.037","","","0.0688","0.1136","","","","","","1.001","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027886","7.0942","0.0005","13.792","0.0011","17.3108","0.0013","90","","90","","90","","1693.7","0.2","296","1","296","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O3 -","- C17 H20 Br N O3 -","- C68 H80 Br4 N4 O12 -","4","1","","Ai-Bao Xia; Chao Wu; Dan-Qian Xu; Yi-Feng Wang; Xiao-Hua Du; Zhao-Bo Li; Zhen-Yuan Xu","Prolinethiol Ether Catalysis in an Asymmetric Michael Reaction: Solvent-Free Synthesis of Functionalized Monohaloalkenes","Journal of Organic Chemistry","2013","78","","1254","1259","10.1021/jo302288z","","","0.71073","MoKα","","0.1088","0.0396","","","0.0663","0.0905","","","","","","0.947","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027887","7.057","0.0002","11.2036","0.0002","12.3063","0.0003","63.444","0.001","84.133","0.001","71.854","0.001","826.26","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 Br2 O2 -","- C19 H16 Br2 O2 -","- C38 H32 Br4 O4 -","2","1","","Elumalai Gopi; Irishi N. N. Namboothiri","Synthesis of Fused Bromofurans via Mg-Mediated Dibromocyclopropanation of Cycloalkanone-Derived Chalcones and Cloke-Wilson Rearrangement","Journal of Organic Chemistry","2013","78","","910","919","10.1021/jo3022988","","","0.71073","MoKα","","0.0738","0.0461","","","0.1093","0.1236","","","","","","1.105","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027888","11.7848","0.0004","12.5578","0.0008","12.5773","0.0004","97.749","0.003","117.692","0.002","92.803","0.003","1619.82","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 Br2 O -","- C20 H12 Br2 O -","- C80 H48 Br8 O4 -","4","2","","Elumalai Gopi; Irishi N. N. Namboothiri","Synthesis of Fused Bromofurans via Mg-Mediated Dibromocyclopropanation of Cycloalkanone-Derived Chalcones and Cloke-Wilson Rearrangement","Journal of Organic Chemistry","2013","78","","910","919","10.1021/jo3022988","","","0.71073","MoKα","","0.0768","0.0375","","","0.0801","0.0925","","","","","","1.013","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027889","7.9204","0.0003","8.6133","0.0003","25.5389","0.0011","90","","90","","90","","1742.28","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br O3 -","- C21 H19 Br O3 -","- C84 H76 Br4 O12 -","4","1","","Elumalai Gopi; Irishi N. N. Namboothiri","Synthesis of Fused Bromofurans via Mg-Mediated Dibromocyclopropanation of Cycloalkanone-Derived Chalcones and Cloke-Wilson Rearrangement","Journal of Organic Chemistry","2013","78","","910","919","10.1021/jo3022988","","","0.71073","MoKα","","0.037","0.028","","","0.0581","0.0603","","","","","","0.972","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027890","11.523","0.004","20.652","0.006","9.308","0.003","90","","112.905","0.005","90","","2040.4","1.1","100","2","100","2","","","","","","","Schmitt Sebastien","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N2 O3 -","- C21 H30 N2 O3 -","- C84 H120 N8 O12 -","4","1","","Sébastien Schmitt; Richard C. D. Brown; Cécile Perrio","Diastereoselective Syntheses of (3R*,4R*)- and (3R*,4S*)-4-Aryl-3-methyl-4-piperidinemethanol and Fluoro Analogues","Journal of Organic Chemistry","2013","78","","1222","1229","10.1021/jo302303h","","","0.71075","MoKα","","0.1862","0.1226","","","0.1956","0.2219","","","","","","1.171","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027891","9.3755","0.0006","10.0021","0.0006","25.2346","0.0015","90","","90","","90","","2366.4","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H41 N O3 Si -","- C22 H41 N O3 Si -","- C88 H164 N4 O12 Si4 -","4","1","","Julie A. Pigza; Jeong-Seok Han; Aroop Chandra; Daniel Mutnick; Maren Pink; Jeffrey N. Johnston","Total Synthesis of the Lycopodium Alkaloid Serratezomine A Using Free Radical-Mediated Vinyl Amination to Prepare a β-Stannyl Enamine Linchpin","Journal of Organic Chemistry","2013","78","","822","843","10.1021/jo302333s","","","0.71073","MoKα","","0.031","0.0296","","","0.0814","0.0827","","","","","","0.987","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027892","24.705","0.009","6.725","0.003","11.915","0.004","90","","97.458","0.009","90","","1962.8","1.3","117","2","117","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H33 N O3.1 Si -","- C19 H33 N O3.098 Si -","- C76 H132 N4 O12.392 Si4 -","4","1","","Julie A. Pigza; Jeong-Seok Han; Aroop Chandra; Daniel Mutnick; Maren Pink; Jeffrey N. Johnston","Total Synthesis of the Lycopodium Alkaloid Serratezomine A Using Free Radical-Mediated Vinyl Amination to Prepare a β-Stannyl Enamine Linchpin","Journal of Organic Chemistry","2013","78","","822","843","10.1021/jo302333s","","","0.71073","MoKα","","0.0482","0.0373","","","0.0793","0.0845","","","","","","1.024","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4027893","7.8828","0.0004","10.6926","0.0005","20.2725","0.0009","105.055","0.001","92.644","0.001","94.146","0.001","1642.01","0.14","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C28 H50 F3 N O7 S Si -","- C28 H50 F3 N O7 S Si -","- C56 H100 F6 N2 O14 S2 Si2 -","2","2","","Julie A. Pigza; Jeong-Seok Han; Aroop Chandra; Daniel Mutnick; Maren Pink; Jeffrey N. Johnston","Total Synthesis of the Lycopodium Alkaloid Serratezomine A Using Free Radical-Mediated Vinyl Amination to Prepare a β-Stannyl Enamine Linchpin","Journal of Organic Chemistry","2013","78","","822","843","10.1021/jo302333s","","","0.71073","MoKα","","0.0557","0.0424","","","0.1076","0.1203","","","","","","1.07","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4027894","12.283","0.0016","12.1019","0.0012","8.4929","0.001","90","","104.21","0.013","90","","1223.8","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Br F N O2 -","- C13 H11 Br F N O2 -","- C52 H44 Br4 F4 N4 O8 -","4","1","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.54184","CuKα","","0.039","0.0324","","","0.0802","0.0845","","","","","","1.059","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027895","9.3023","0.0012","9.3885","0.0009","10.9742","0.0013","100.185","0.009","102.668","0.01","111.976","0.01","830.89","0.19","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Br N O -","- C8 H8 Br N O -","- C32 H32 Br4 N4 O4 -","4","2","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.5418","CuKα","","0.0289","0.0263","","","0.0766","0.0875","","","","","","1.26","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027896","7.86962","0.00017","12.1226","0.0003","15.534","0.0003","90","","97.5363","0.0019","90","","1469.15","0.06","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O7 -","- C14 H14 N2 O7 -","- C56 H56 N8 O28 -","4","1","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.54184","CuKα","","0.0491","0.0428","","","0.1117","0.1157","","","","","","1.061","","","","has coordinates,has disorder","178457","2020-10-21","18:00:00",""
"4027897","10.908","0.0016","11.3838","0.0018","11.6457","0.0015","64.786","0.014","86.639","0.011","72.367","0.014","1242.7","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 O5 -","- C12 H12 N2 O5 -","- C48 H48 N8 O20 -","4","2","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.54184","CuKα","","0.0512","0.0452","","","0.1231","0.1301","","","","","","1.035","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027898","6.9799","0.001","12.4949","0.0015","14.4554","0.0014","79.802","0.009","77.061","0.01","81.485","0.011","1201.5","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","2","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.54184","CuKα","","0.0489","0.0414","","","0.1086","0.1162","","","","","","1.044","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027899","9.7904","0.0004","11.8369","0.0004","12.317","0.0004","84.429","0.003","67.878","0.003","84.125","0.003","1312.71","0.09","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","2","","Simbarashe Ngwerume; William Lewis; Jason E. Camp","Development of a Gold-Multifaceted Catalysis Approach to the Synthesis of Highly Substituted Pyrroles: Mechanistic Insights via Huisgen Cycloaddition Studies","Journal of Organic Chemistry","2013","78","","920","934","10.1021/jo302349k","","","1.5418","CuKα","","0.0412","0.0351","","","0.0938","0.0972","","","","","","1.067","","","","has coordinates","178457","2020-10-21","18:00:00",""
"4027900","12.148","0.007","31.58","0.019","9.542","0.006","90","","102.717","0.008","90","","3571","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 F3 N2 O2 -","- C20 H17 F3 N2 O2 -","- C160 H136 F24 N16 O16 -","8","2","","Juan Yang; Xingang Xie; Zhengshen Wang; Ruoming Mei; Huaiji Zheng; Xiaolei Wang; Ling Zhang; Jing Qi; Xuegong She","Stereoselective Synthesis of Fused Spiroindolines via Tandem Mannich/Intramolecular Aminal Formation","Journal of Organic Chemistry","2013","78","","1230","1235","10.1021/jo302404v","","","0.71073","MoKα","","0.1695","0.0822","","","0.1589","0.1963","","","","","","1.026","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027901","8.3392","0.0013","10.0974","0.0016","15.684","0.003","98.756","0.002","101.508","0.002","97.415","0.002","1261.6","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H27 N3 -","- C33 H27 N3 -","- C66 H54 N6 -","2","1","","Alma R. Morales; Andrew Frazer; Adam W. Woodward; Hyo-Yang Ahn-White; Alexandr Fonari; Paul Tongwa; Tatiana Timofeeva; Kevin D. Belfield","Design, Synthesis, and Structural and Spectroscopic Studies of Push-Pull Two-Photon Absorbing Chromophores with Acceptor Groups of Varying Strength","Journal of Organic Chemistry","2013","78","","1014","1025","10.1021/jo302423p","","","0.71073","MoKα","","0.1247","0.0585","","","0.1293","0.1577","","","","","","1.001","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027902","8.7255","0.0012","10.875","0.0015","15.855","0.002","98.469","0.002","101.687","0.002","110.096","0.002","1344.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H29 N3 -","- C34 H29 N3 -","- C68 H58 N6 -","2","1","","Alma R. Morales; Andrew Frazer; Adam W. Woodward; Hyo-Yang Ahn-White; Alexandr Fonari; Paul Tongwa; Tatiana Timofeeva; Kevin D. Belfield","Design, Synthesis, and Structural and Spectroscopic Studies of Push-Pull Two-Photon Absorbing Chromophores with Acceptor Groups of Varying Strength","Journal of Organic Chemistry","2013","78","","1014","1025","10.1021/jo302423p","","","0.71073","MoKα","","0.0743","0.0434","","","0.0965","0.1083","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027903","9.3797","0.0006","10.4703","0.0006","15.9304","0.001","79.515","0.001","78.404","0.001","67.394","0.001","1405.3","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 N O S -","- C36 H31 N O S -","- C72 H62 N2 O2 S2 -","2","1","","Alma R. Morales; Andrew Frazer; Adam W. Woodward; Hyo-Yang Ahn-White; Alexandr Fonari; Paul Tongwa; Tatiana Timofeeva; Kevin D. Belfield","Design, Synthesis, and Structural and Spectroscopic Studies of Push-Pull Two-Photon Absorbing Chromophores with Acceptor Groups of Varying Strength","Journal of Organic Chemistry","2013","78","","1014","1025","10.1021/jo302423p","","","0.71073","MoKα","","0.0615","0.0439","","","0.1161","0.1257","","","","","","1.049","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027904","9.6574","0.0011","11.2128","0.0014","18.5445","0.0019","86.91","0.002","79.601","0.001","68.997","0.001","1843.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H40 Br N4 Ni P -","- C40 H40 Br N4 Ni P -","- C80 H80 Br2 N8 Ni2 P2 -","2","1","","Wang-Jun Guo; Zhong-Xia Wang","Cross-Coupling of ArX with ArMgBr Catalyzed by N-Heterocyclic Carbene-Based Nickel Complexes","Journal of Organic Chemistry","2013","78","","1054","1061","10.1021/jo302425x","","","0.71073","MoKα","","0.0902","0.0523","","","0.142","0.1558","","","","","","1.045","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027905","9.258","0.001","16.53","0.002","19.277","0.002","87.603","0.004","78.804","0.004","85.216","0.006","2882.8","0.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","Fraenkel 1342","","","- C22 H48 Li2 N2 O4 Si2 -","- C22 H48 Li2 N2 O4 Si2 -","- C88 H192 Li8 N8 O16 Si8 -","4","2","","Gideon Fraenkel; Xiao Chen; Albert Chow; Judith Gallucci","Internally versus Externally Solvated Derivatives of Doubly Bridged 1,4-Dilithio-2-butene: Structures and Dynamic Behavior. A ""T"" Shaped Dimeric Cluster in the Solid State","Journal of Organic Chemistry","2013","78","","1149","1156","10.1021/jo302439t","","x-ray","0.71073","MoKα","","0.0823","0.0585","","","0.1378","0.1492","","","","","","1.036","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027906","10.1487","0.0005","7.5675","0.0004","20.4078","0.0009","90","","94.563","0.002","90","","1562.36","0.13","296","1","296","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 Br N2 O2 -","- C17 H15 Br N2 O2 -","- C68 H60 Br4 N8 O8 -","4","1","","Yunkui Liu; Bo Jiang; Wei Zhang; Zhenyuan Xu","Multifold Bond Cleavage and Formation between MeOH and Quinoxalines (or Benzothiazoles): Synthesis of Carbaldehyde Dimethyl Acetals","Journal of Organic Chemistry","2013","78","","966","980","10.1021/jo302450f","","","0.71073","MoKα","","0.0997","0.0412","","","0.0896","0.1302","","","","","","1.003","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027907","13.7684","0.0002","13.785","0.0002","14.3419","0.0002","102.149","0.001","114.803","0.001","108.584","0.001","2146.61","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl2 N4 O4 Si2 -","- C44 H50 Cl2 N4 O4 Si2 -","- C88 H100 Cl4 N8 O8 Si4 -","2","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Manuel Schaffroth; Frank Rominger; Uwe H. F. Bunz","Reactions of Large Tetraaza-N,N'-dihydroacenes: Formation of Unexpected Adducts and an Unstable Tetraazahexacene","Journal of Organic Chemistry","2013","78","","1249","1253","10.1021/jo3024544","","","0.71073","MoKα","","0.0688","0.0454","","","0.11","0.1226","","","","","","1.018","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027908","7.8787","0.0001","12.8918","0.0001","21.5552","0.0002","93.602","0.001","94.672","0.001","95.417","0.001","2166.86","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H56 N4 Si2 -","- C48 H56 N4 Si2 -","- C96 H112 N8 Si4 -","2","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Manuel Schaffroth; Frank Rominger; Uwe H. F. Bunz","Reactions of Large Tetraaza-N,N'-dihydroacenes: Formation of Unexpected Adducts and an Unstable Tetraazahexacene","Journal of Organic Chemistry","2013","78","","1249","1253","10.1021/jo3024544","","","0.71073","MoKα","","0.107","0.0607","","","0.1424","0.1668","","","","","","1.008","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027909","7.706","0.005","23.131","0.014","45.24","0.03","90.756","0.012","90.191","0.012","94.472","0.012","8039","9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H54 N4 Si2 -","- C44 H54 N4 Si2 -","- C352 H432 N32 Si16 -","8","4","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Manuel Schaffroth; Frank Rominger; Uwe H. F. Bunz","Reactions of Large Tetraaza-N,N'-dihydroacenes: Formation of Unexpected Adducts and an Unstable Tetraazahexacene","Journal of Organic Chemistry","2013","78","","1249","1253","10.1021/jo3024544","","","0.71073","MoKα","","0.2598","0.1631","","","0.4158","0.4694","","","","","","1.033","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027910","7.214","0.002","21.153","0.006","33.108","0.009","90","","95.674","0.007","90","","5027","2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51.75 H56.75 Cl3.08 N4 O4 Si2 -","- C51.736 H56.736 Cl3.088 N4 O4 Si2 -","- C206.944 H226.944 Cl12.352 N16 O16 Si8 -","4","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Manuel Schaffroth; Frank Rominger; Uwe H. F. Bunz","Reactions of Large Tetraaza-N,N'-dihydroacenes: Formation of Unexpected Adducts and an Unstable Tetraazahexacene","Journal of Organic Chemistry","2013","78","","1249","1253","10.1021/jo3024544","","","0.71073","MoKα","","0.1717","0.1494","","","0.3649","0.3782","","","","","","1.122","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027911","38.388","0","38.388","0","12.218","0.002","90","0","90","0","120","0.015","15593","3","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C72 H72 O6 -","- C72 H72 O6 -","- C648 H648 O54 -","9","0.5","","Tao Xie; Shu-Zhen Hu; Chuan-Feng Chen","Triptycene-Derived Homooxacalixarene Analogues: Synthesis, Structures, and Complexation with Fullerenes C60 and C70","Journal of Organic Chemistry","2013","78","","981","987","10.1021/jo302459m","","","0.71073","MoKα","","0.1742","0.155","","","0.312","0.3246","","","","","","1.223","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027912","12.299","0.003","16.054","0.003","17.763","0.004","81.15","0.03","88.58","0.03","74.64","0.03","3341.3","1.4","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H72 O6 -","- C72 H72 O6 -","- C144 H144 O12 -","2","1","","Tao Xie; Shu-Zhen Hu; Chuan-Feng Chen","Triptycene-Derived Homooxacalixarene Analogues: Synthesis, Structures, and Complexation with Fullerenes C60 and C70","Journal of Organic Chemistry","2013","78","","981","987","10.1021/jo302459m","","","0.71073","MoKα","","0.1092","0.084","","","0.2302","0.2483","","","","","","1.039","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027913","8.884","0.002","17.286","0.005","23.428","0.006","109.558","0.003","90.173","0.005","100.381","0.006","3326.9","1.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H66 Cl6 O6 -","- C78 H66 Cl6 O6 -","- C156 H132 Cl12 O12 -","2","1","","Tao Xie; Shu-Zhen Hu; Chuan-Feng Chen","Triptycene-Derived Homooxacalixarene Analogues: Synthesis, Structures, and Complexation with Fullerenes C60 and C70","Journal of Organic Chemistry","2013","78","","981","987","10.1021/jo302459m","","","0.71073","MoKα","","0.1367","0.1084","","","0.2376","0.2545","","","","","","1.137","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027914","7.2074","0.0002","15.3803","0.0004","16.4727","0.0005","78.3311","0.0003","83.2943","0.0003","87.9616","0.0003","1775.92","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H50 O9 Si -","- C39 H50 O9 Si -","- C78 H100 O18 Si2 -","2","1","","Farzad Malihi; Derrick L. J. Clive; Che-Chien Chang; Minaruzzaman","Synthetic Studies on CP-225,917 and CP-263,114: Access to Advanced Tetracyclic Systems by Intramolecular Conjugate Displacement and [2,3]-Wittig Rearrangement","Journal of Organic Chemistry","2013","78","","996","1013","10.1021/jo302467w","","","0.71073","MoKα","","0.0481","0.0373","","","0.0937","0.104","","","","","","1.053","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027915","21.7","0.009","10.919","0.005","21.173","0.008","90","","118.59","0.02","90","","4405","3","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C116 H96 O12 -","- C116 H96 O12 -","- C232 H192 O24 -","2","0.25","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.3008","0.0908","","","0.2102","0.2915","","","","","","0.93","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027916","11.9712","0.0012","11.9712","0.0012","9.9653","0.0013","90","","90","","120","","1236.8","0.2","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- C30 H30 O4.5 -","- C30 H29.97 O4.5 -","- C60 H59.94 O9 -","2","0.333333","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.0867","0.0619","","","0.1715","0.196","","","","","","1.013","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027917","12.0399","0.0007","12.0399","0.0007","9.8716","0.0007","90","","90","","120","","1239.26","0.13","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- C H O -","- C1.61111 H1.665 O0.166667 -","- C58 H59.94 O6 -","36","6","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.1068","0.0798","","","0.2343","0.2696","","","","","","1.023","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027918","11.9","0.0009","11.9","0.0009","9.9832","0.0007","90","","90","","120","","1224.32","0.16","296","2","296","2","","","","","","","","3","P -3","-P 3","147","","","","- C20 H20 O2.67 -","- C19.9933 H19.98 O2.66667 -","- C59.98 H59.94 O8 -","3","0.5","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.0715","0.0592","","","0.1851","0.197","","","","","","1.076","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027919","8.642","0.004","11.335","0.005","12.752","0.006","101.855","0.008","101.09","0.007","108.971","0.007","1109.9","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H30 O3 -","- C29 H30 O3 -","- C58 H60 O6 -","2","1","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.1222","0.1025","","","0.2832","0.2937","","","","","","1.046","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027920","8.739","0.006","11.766","0.008","13.973","0.009","92.198","0.013","99.782","0.013","108.202","0.012","1338.6","1.6","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H36 O4 -","- C32 H36 O4 -","- C64 H72 O8 -","2","1","","Tao Wang; Yu-Fei Zhang; Qin-Qing Hou; Wen-Rong Xu; Xiao-Ping Cao; Hak-Fun Chow; Dietmar Kuck","C3-Symmetrical Tribenzotriquinacene Derivatives: Optical Resolution through Cryptophane Synthesis and Supramolecular Self-Assembly into Nanotubes","Journal of Organic Chemistry","2013","78","","1062","1069","10.1021/jo302470v","","","0.71073","MoKα","","0.275","0.1799","","","0.4812","0.5265","","","","","","1.528","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027921","14.34","0.001","10.507","0.001","13.04","0.002","90","","92.89","0.01","90","","1962.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-benzyl-11,11-diethyl-5-methyl-1,11-dihydroimidazol[2',1':3,4][1,4,2]- diazaborolo[1,5-a]indol-4-ium-11-uide","","- C23 H26 B N3 -","- C23 H26 B N3 -","- C92 H104 B4 N12 -","4","1","","Nazar Pidlypnyi; Jan C. Namyslo; Martin H. H. Drafz; Martin Nieger; Andreas Schmidt","Betaine-Carbene Interconversions. From N-Ylides to Zwitterionic N-Heterocyclic Carbene-Borane Adducts","Journal of Organic Chemistry","2013","78","","1070","1079","10.1021/jo302479p","","","0.71073","MoKα","","0.0589","0.0444","","","0.1097","0.1197","","","","","","1.04","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027922","21.753","0.012","14.269","0.008","17.857","0.01","90","","130.21","0.05","90","","4233","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 N2 O14 -","- C48 H52 N2 O14 -","- C192 H208 N8 O56 -","4","0.5","","Elżbieta Gońka; Damian Myśliwiec; Tadeusz Lis; Piotr J. Chmielewski; Marcin Stępień","Synthesis of Bis(phenanthropyrroles) via a Tandem Scholl Oxidation","Journal of Organic Chemistry","2013","78","","1260","1265","10.1021/jo302486x","","","0.71073","MoKα","","0.2106","0.0674","","","0.0564","0.0646","","","","","","0.933","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027923","10.811","0.002","14.427","0.003","21.917","0.004","90","","90","","90","","3418.4","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H58 O4 S Si3 -","- C26 H58 O4 S Si3 -","- C104 H232 O16 S4 Si12 -","4","1","","Robin Daly; Thomas McCabe; Eoin M. Scanlan","Development of Fully and Partially Protected Fucosyl Donors for Oligosaccharide Synthesis","Journal of Organic Chemistry","2013","78","","1080","1090","10.1021/jo302487c","","","0.71073","MoKα","","0.0356","0.0343","","","0.0821","0.0834","","","","","","1.072","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4027924","9.2047","0.0001","12.9635","0.0002","24.7453","0.0003","90","","90","","90","","2952.74","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C120 H168 N8 O16 S8 -","8","2","","David M. Hodgson; Christopher I. Pearson; Amber L. Thompson","α-Lithiation-Electrophile Trapping of N-Thiopivaloylazetidin-3-ol: Stereoselective Synthesis of 2-Substituted 3-Hydroxyazetidines","Journal of Organic Chemistry","2013","78","","1098","1106","10.1021/jo3025225","","","0.71073","MoKα","","0.0506","0.0412","","0.1052","0.1009","0.1052","","","","","","0.9936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027925","9.742","0.006","6.73","0.004","18.736","0.011","90","","97.666","0.01","90","","1217.4","1.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C60 H48 N8 O8 -","4","1","","Darapaneni Chandra Mohan; Sadu Nageswara Rao; Subbarayappa Adimurthy","Synthesis of Imidazo[1,2-a]pyridines: ""Water-Mediated"" Hydroamination and Silver-Catalyzed Aminooxygenation","Journal of Organic Chemistry","2013","78","","1266","1272","10.1021/jo3025303","","","0.71073","MoKα","","0.072","0.0639","","","0.1913","0.1997","","","","","","1.093","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027926","10.188","0.005","9.927","0.005","11.211","0.005","90","","109.129","0.005","90","","1071.2","0.9","100","2","100","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C19 H28 F3 N O4 S -","- C19 H28 F3 N O4 S -","- C38 H56 F6 N2 O8 S2 -","2","1","","Fabienne Grellepois","Enantiopure Trifluoromethylated β3,3-Amino Acids: Synthesis by Asymmetric Reformatsky Reaction with Stable Analogues of TrifluoromethylN-tert-Butanesulfinylketoimines and Incorporation into α/β-Peptides","Journal of Organic Chemistry","2013","78","","1127","1137","10.1021/jo302549v","","x-ray","0.71073","MoKα","","0.1059","0.0553","","","0.083","0.0978","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027927","10.322","0.0002","10.6609","0.0002","11.5882","0.0002","109.332","0.0012","111.752","0.0013","99.3681","0.0013","1056.67","0.04","200","","200","","","","","","","","from U of Wollongong","4","P -1","-P 1","2","","","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C50 H58 N2 O6 -","2","1","","Nikhom Wongsa; Ubonta Sommart; Thunwadee Ritthiwigrom; Arife Yazici; Somdej Kanokmedhakul; Kwanjai Kanokmedhakul; Anthony C. Willis; Stephen G. Pyne","Concise Synthesis of α-Substituted 2-Benzofuranmethamines and other 2-Subsituted Benzofurans via α-Substituted 2-Benzofuranmethyl Carbocation Intermediates","Journal of Organic Chemistry","2013","78","","1138","1148","10.1021/jo302554v","","","0.71073","MoKα","","0.0455","0.0391","","0.1051","0.1006","0.1051","","","","","","0.984","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027928","38.905","0.005","15.3839","0.0019","19.874","0.002","90","","103.18","0.003","90","","11581","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C132 H114 Br7 N12 O10 -","- C132 H114 Br7 N12 O10 -","- C528 H456 Br28 N48 O40 -","4","0.5","","Bijan Roy; Arun Kumar Bar; Bappaditya Gole; Partha Sarathi Mukherjee","Fluorescent Tris-Imidazolium Sensors for Picric Acid Explosive","Journal of Organic Chemistry","2013","78","","1306","1310","10.1021/jo302585a","","","0.71073","MoKα","","0.2367","0.115","","","0.3398","0.4005","","","","","","1.186","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027929","15.2753","0.0019","15.4099","0.0014","31.734","0.004","90","","99.903","0.002","90","","7358.6","1.5","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C160 H130 Br2 N24 O32 -","- C160 H130 Br2 N24 O32 -","- C320 H260 Br4 N48 O64 -","2","1","","Bijan Roy; Arun Kumar Bar; Bappaditya Gole; Partha Sarathi Mukherjee","Fluorescent Tris-Imidazolium Sensors for Picric Acid Explosive","Journal of Organic Chemistry","2013","78","","1306","1310","10.1021/jo302585a","","","0.71073","MoKα","","0.4484","0.1446","","","0.3184","0.4812","","","","","","0.961","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027930","19.674","0.004","14.365","0.003","20.551","0.004","90","","99.25","0.03","90","","5733","2","143","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C76 H42 O13 -","- C76 H38 O13 -","- C304 H152 O52 -","4","1","","Nana Xin; Xiaobing Yang; Zishuo Zhou; Jianxin Zhang; Showxin Zhang; Liangbing Gan","Synthesis of C60(O)3: An Open-Cage Fullerene with a Ketolactone Moiety on the Orifice","Journal of Organic Chemistry","2013","78","","1157","1162","10.1021/jo3026302","","","0.71073","MoKα","","0.199","0.0733","","","0.1356","0.1565","","","","","","1.007","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027931","16.947","0.004","15.195","0.003","18.824","0.004","90","","114.551","0.004","90","","4409.1","1.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C83 H22 O3 -","- C83 H22 O3 -","- C332 H88 O12 -","4","1","","Nana Xin; Xiaobing Yang; Zishuo Zhou; Jianxin Zhang; Showxin Zhang; Liangbing Gan","Synthesis of C60(O)3: An Open-Cage Fullerene with a Ketolactone Moiety on the Orifice","Journal of Organic Chemistry","2013","78","","1157","1162","10.1021/jo3026302","","","0.71073","MoKα","","0.1441","0.1158","","","0.2707","0.2842","","","","","","1.683","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027932","10.584","0.003","10.879","0.003","16.559","0.004","90","","98.725","0.005","90","","1884.6","0.9","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 S -","- C26 H18 S -","- C104 H72 S4 -","4","1","","Bo-Lun Hu; Sha-Sha Pi; Peng-Cheng Qian; Jin-Heng Li; Xing-Guo Zhang","Palladium-Catalyzed Iodine-Mediated Electrophilic Annulation of 2-(1-Alkynyl)biphenyls with Disulfides","Journal of Organic Chemistry","2013","78","","1300","1305","10.1021/jo302634n","","","0.71073","MoKα","","0.0751","0.0675","","","0.1393","0.1433","","","","","","1.227","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027933","6.0202","0.001","9.5695","0.0015","28.79","0.005","90","","90","","90","","1658.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Br2 N2 O4 -","- C13 H16 Br2 N2 O4 -","- C52 H64 Br8 N8 O16 -","4","1","","Hao Sun; Jianlin Han; Padmanabha V. Kattamuri; Yi Pan; Guigen Li","Approach to Vicinalt-Boc-amino Dibromides via Catalytic Aminobromination of Nitrostyrenes without Using Chromatography and Recrystallization","Journal of Organic Chemistry","2013","78","","1171","1175","10.1021/jo302727v","","","0.71073","MoKα","","0.0659","0.042","","","0.1013","0.1091","","","","","","0.749","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4027934","9.941","0.003","10.774","0.003","11.867","0.003","77.103","0.003","66.061","0.003","65.409","0.003","1054","0.5","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","1","","Michael P. McCormack; Stephen P. Waters","Synthesis of Functionalized Indolizidines through Pauson-Khand Cycloaddition of 2-Allylpyrrolidines","Journal of Organic Chemistry","2013","78","","1176","1183","10.1021/jo302734w","","","0.71073","MoKα","","0.0405","0.0343","","","0.0829","0.0869","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027935","12.2523","0.0015","39.556","0.006","14.9678","0.0013","90","","90","","90","","7254.2","1.5","170","","170","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C120 H104 N8 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.1671","0.1023","","0.1836","0.1174","0.1049","","","","","","1.1139","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027936","11.8553","0.0004","11.991","0.0005","18.5166","0.0006","90","","90.351","0.001","90","","2632.21","0.16","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 B2 F8 N2 -","- C30 H26 B2 F8 N2 -","- C120 H104 B8 F32 N8 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0744","0.0569","","","0.142","0.1547","","","","","","1.035","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027937","12.0251","0.0011","14.0218","0.0011","17.7444","0.0014","89.919","0.006","72.966","0.008","87.197","0.007","2857","0.4","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H66 B2 N2 -","- C78 H66 B2 N2 -","- C156 H132 B4 N4 -","2","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0906","0.0544","","0.0713","0.0529","0.0529","","","","","","1.1784","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027938","11.5458","0.0003","11.8918","0.0002","21.0317","0.0006","90","","122.155","0.004","90","","2444.73","0.15","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Br2 N2 -","- C30 H26 Br2 N2 -","- C120 H104 Br8 N8 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0381","0.0349","","0.0331","0.0317","0.0317","","","","","","1.3278","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027939","12.2508","0.0018","17.19","0.003","23.356","0.003","90","","90","","90","","4918.6","1.3","170","","170","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H26 Br2 N2 -","- C30 H26 Br2 N2 -","- C240 H208 Br16 N16 -","8","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0714","0.0495","","0.0779","0.0581","0.0581","","","","","","1.0262","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027940","8.308","0.0002","8.308","0.0002","40.7386","0.0011","90","","90","","90","","2811.89","0.12","150","2","150","2","","","","","","","synthesized by the authors","5","P 43 21 2","P 4nw 2abw","96","","","","- C34 H26 F6 N2 O4 -","- C34 H26 F6 N2 O4 -","- C136 H104 F24 N8 O16 -","4","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0448","0.0439","","","0.1241","0.1248","","","","","","1.135","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027941","20.6073","0.0004","20.6073","0.0004","46.635","0.0018","90","","90","","90","","19804.1","0.9","170","","170","","","","","","","","","3","P 42/m b c","-P 4c 2ab","135","","","","- C30 H26 N2 -","- C30 H26 N2 -","- C720 H624 N48 -","24","1.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.1145","0.0703","","0.1204","0.0809","0.0809","","","","","","1.1058","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027942","11.4978","0.001","11.519","0.0013","18.4158","0.0015","90","","90","","90","","2439","0.4","170","","170","","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C30 H26 Cl2 N2 -","- C30 H26 Cl2 N2 -","- C120 H104 Cl8 N8 -","4","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.5418","CuKα","","0.1307","0.0986","","0.0908","0.0811","0.0811","","","","","","0.9865","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027943","11.7877","0.0005","12.1474","0.0005","18.8577","0.0009","90","","90.299","0.002","90","","2700.2","0.2","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Cl2 N2 O8 -","- C30 H26 Cl2 N2 O8 -","- C120 H104 Cl8 N8 O32 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0587","0.0479","","","0.1208","0.1297","","","","","","1.037","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4027944","19.9753","0.0016","19.9753","0.0016","27.812","0.004","90","","90","","90","","11097","2","170","","170","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C30 H30 N2 O9 S2 -","- C30 H30 N2 O9 S2 -","- C480 H480 N32 O144 S32 -","16","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0918","0.0698","","0.1275","0.0935","0.0935","","","","","","0.9496","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027945","12.228","0.0005","11.2609","0.0006","20.2299","0.0008","90","","90","","90","","2785.6","0.2","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H32 N2 O6 S2 -","- C32 H32 N2 O6 S2 -","- C128 H128 N8 O24 S8 -","4","0.5","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.5418","CuKα","","0.0396","0.0357","","0.0389","0.0369","0.0369","","","","","","1.1537","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027946","12.3229","0.0004","18.3554","0.0005","22.9405","0.0006","90","","90","","90","","5189","0.3","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H26 I2 N2 -","- C30 H26 I2 N2 -","- C240 H208 I16 N16 -","8","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0449","0.0328","","","0.0734","0.0788","","","","","","1.095","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027947","11.5914","0.0011","11.8593","0.0006","21.167","0.002","90","","121.194","0.013","90","","2489","0.5","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N4 O6 -","- C30 H26 N4 O6 -","- C120 H104 N16 O24 -","4","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0714","0.0582","","0.0787","0.07","0.07","","","","","","1.0982","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027948","21.5279","0.001","14.0894","0.0005","21.8075","0.0009","90","","90","","90","","6614.5","0.5","170","","170","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H26 F6 N2 O6 S2 -","- C32 H26 F6 N2 O6 S2 -","- C256 H208 F48 N16 O48 S16 -","8","1","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","1.54184","CuKα","","0.0901","0.0547","","0.0945","0.0632","0.0632","","","","","","1.1155","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027949","11.903","0.0002","12.439","0.0002","20.873","0.0003","90","","89.805","0.0008","90","","3090.47","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H26 F6 N2 O6 S2 -","- C32 H26 F6 N2 O6 S2 -","- C128 H104 F24 N8 O24 S8 -","4","2","","Jan Vávra; Lukáš Severa; Ivana Císařová; Blanka Klepetářová; David Šaman; Dušan Koval; Václav Kašička; Filip Teplý","Search for Conglomerate in Set of [7]Helquat Salts: Multigram Resolution of Helicene-Viologen Hybrid by Preferential Crystallization","Journal of Organic Chemistry","2013","78","","1329","1342","10.1021/jo301615k","","","0.71073","MoKα","","0.0702","0.0439","","","0.1029","0.114","","","","","","1.012","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027950","18.797","0.003","18.797","0.003","12.998","0.004","90","","90","","120","","3977.3","1.5","100","2","100","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C44 H68 F6 Fe N4 O8 S2 -","- C36 H48 F6 Fe N4 O6 S2 -","- C108 H144 F18 Fe3 N12 O18 S6 -","3","0.5","","Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas","Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts","Journal of Organic Chemistry","2013","78","","1421","1433","10.1021/jo302196q","","","0.71073","MoKα","","0.045","0.0406","","","0.1029","0.1044","","","","","","1.002","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027951","14.954","0.011","16.34","0.012","16.575","0.012","90","","90","","90","","4050","5","300","2","300","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H46 F6 Fe N4 O6 S2 -","- C36 H46 F6 Fe N4 O6 S2 -","- C144 H184 F24 Fe4 N16 O24 S8 -","4","1","","Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas","Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts","Journal of Organic Chemistry","2013","78","","1421","1433","10.1021/jo302196q","","","0.71073","MoKα","","0.089","0.0549","","","0.144","0.161","","","","","","1.054","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027952","15.398","0.002","26.204","0.003","10.6011","0.0014","90","","90","","90","","4277.4","0.9","300","2","300","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C36 H46 F6 Fe N4 O6 S2 -","- C36 H46 F6 Fe N4 O6 S2 -","- C144 H184 F24 Fe4 N16 O24 S8 -","4","1","","Laura Gómez; Mercè Canta; David Font; Irene Prat; Xavi Ribas; Miquel Costas","Regioselective Oxidation of Nonactivated Alkyl C-H Groups Using Highly Structured Non-Heme Iron Catalysts","Journal of Organic Chemistry","2013","78","","1421","1433","10.1021/jo302196q","","","0.71073","MoKα","","0.1112","0.0596","","","0.1301","0.1467","","","","","","0.967","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027953","12.228","0.0004","10.289","0.0004","11.5126","0.0004","90","","97.802","0.002","90","","1435.04","0.09","150","1","150","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H19 N O -","- C19 H19 N O -","- C76 H76 N4 O4 -","4","1","","Rivka R. R. Taylor; Robert A. Batey","A Hetero Diels-Alder Approach to the Synthesis of Chromans (3,4-Dihydrobenzopyrans) Using Oxonium Ion Chemistry: The Oxa-Povarov Reaction","Journal of Organic Chemistry","2013","78","","1404","1420","10.1021/jo302328s","","","0.71073","MoKα","","0.0601","0.0452","","","0.1043","0.1168","","","","","","1.077","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027954","18.6617","0.001","5.4269","0.0008","29.7664","0.0013","90","","90","","90","","3014.6","0.5","150","1","150","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H17 N O -","- C20 H17 N O -","- C160 H136 N8 O8 -","8","2","","Rivka R. R. Taylor; Robert A. Batey","A Hetero Diels-Alder Approach to the Synthesis of Chromans (3,4-Dihydrobenzopyrans) Using Oxonium Ion Chemistry: The Oxa-Povarov Reaction","Journal of Organic Chemistry","2013","78","","1404","1420","10.1021/jo302328s","","","0.71073","MoKα","","0.0872","0.0489","","","0.1126","0.1348","","","","","","1.042","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027955","10.1709","0.0005","15.5204","0.0009","14.9385","0.001","90","","99.783","0.007","90","","2323.8","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","1.54187","CuKα","","0.0569","0.0505","","","0.1284","0.1401","","","","","","1.074","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027956","9.972","0.0003","10.748","0.0003","12.86","0.0004","84.94","0.0017","83.24","0.0016","75.82","0.0018","1324.51","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 F N O4 -","- C28 H28 Cl2 F N O4 -","- C56 H56 Cl4 F2 N2 O8 -","2","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","0.7107","MoKα","","0.0776","0.0568","","","0.1486","0.1652","","","","","","1.023","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027957","11.107","0.003","23.9229","0.0004","20.0388","0.0014","90","","105.468","0.011","90","","5131.7","1.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cl2 F N O3 -","- C26 H28 Cl2 F N O3 -","- C208 H224 Cl16 F8 N8 O24 -","8","2","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","1.54187","CuKα","","0.0567","0.0456","","","0.122","0.1345","","","","","","1.092","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027958","12.8738","0.0009","23.8897","0.0004","8.9217","0.0001","90","","101.111","0.007","90","","2692.4","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 1'-acetyl-6'-chloro-2-(3-chloro-2-fluorophenyl)-5-neopentyl-2' -oxospiro[cyclopent[3]ene-1,3'-indoline]-3-carboxylate","","- C28 H28 Cl2 F N O4 -","- C28 H28 Cl2 F N O4 -","- C112 H112 Cl8 F4 N4 O16 -","4","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","1.54187","CuKα","","0.0676","0.0521","","","0.1327","0.1646","","","","","","1.144","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027959","10.868","0.002","10.96","0.003","12.176","0.003","81.087","0.003","72.553","0.005","74.45","0.004","1328.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cl2 F N O4 -","- C28 H28 Cl2 F N O4 -","- C56 H56 Cl4 F2 N2 O8 -","2","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","0.7107","MoKα","","0.095","0.0653","","","0.171","0.196","","","","","","1.028","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027960","10.5343","0.0003","10.9772","0.0004","23.3812","0.0016","90","","98.035","0.007","90","","2677.2","0.2","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 F N O4 -","- C28 H28 Cl2 F N O4 -","- C112 H112 Cl8 F4 N4 O16 -","4","1","","Catherine Gomez; Maxime Gicquel; Jean-Christophe Carry; Laurent Schio; Pascal Retailleau; Arnaud Voituriez; Angela Marinetti","Phosphine-Catalyzed Synthesis of 3,3-Spirocyclopenteneoxindoles from γ-Substituted Allenoates: Systematic Studies and Targeted Applications","Journal of Organic Chemistry","2013","78","","1488","1496","10.1021/jo302460d","","","1.54187","CuKα","","0.0721","0.0549","","","0.1363","0.1611","","","","","","1.114","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027961","7.6506","0.0008","8.0881","0.0009","11.7507","0.0013","83.871","0.006","84.899","0.006","73.945","0.006","693.42","0.13","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C32 H32 O4 S2 -","2","1","","Ch Durga Prasad; Shah Jaimin Balkrishna; Amit Kumar; Bhagat Singh Bhakuni; Kaustubh Shrimali; Soumava Biswas; Sangit Kumar","Transition-Metal-Free Synthesis of Unsymmetrical Diaryl Chalcogenides from Arenes and Diaryl Dichalcogenides","Journal of Organic Chemistry","2013","78","","1434","1443","10.1021/jo302480j","","","0.71073","MoKα","","0.058","0.0487","","","0.1585","0.1754","","","","","","1.311","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027962","5.8855","0.0002","8.2344","0.0002","21.4492","0.0007","90","","90","","90","","1039.5","0.06","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O -","- C11 H19 N O -","- C44 H76 N4 O4 -","4","1","","David M. Hodgson; Andrew Charlton; Robert S. Paton; Amber L. Thompson","C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines","Journal of Organic Chemistry","2013","78","","1508","1518","10.1021/jo3025972","","","1.5418","CuKα","","0.0256","0.0253","","0.0696","0.0693","0.0696","","","","","","1.0061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027963","9.3133","0.0001","10.441","0.0001","18.1294","0.0002","90","","90","","90","","1762.91","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 N2 O -","- C19 H28 N2 O -","- C76 H112 N8 O4 -","4","1","","David M. Hodgson; Andrew Charlton; Robert S. Paton; Amber L. Thompson","C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines","Journal of Organic Chemistry","2013","78","","1508","1518","10.1021/jo3025972","","","1.5418","CuKα","","0.0331","0.0313","","0.0855","0.0827","0.0855","","","","","","0.9918","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027964","5.9046","0.0001","8.2614","0.0001","21.5105","0.0001","90","","90","","90","","1049.29","0.02","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O -","- C11 H19 N O -","- C44 H76 N4 O4 -","4","1","","David M. Hodgson; Andrew Charlton; Robert S. Paton; Amber L. Thompson","C-Alkylation of Chiral Tropane- and Homotropane-Derived Enamines","Journal of Organic Chemistry","2013","78","","1508","1518","10.1021/jo3025972","","","1.5418","CuKα","","0.0254","0.0252","","0.0676","0.0674","0.0676","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027965","9.708","0.003","15.036","0.002","16.37","0.004","91.375","0.015","97.32","0.02","91.426","0.015","2368.4","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H50 Cl3 N4 O3 P -","- C53 H50 Cl3 N4 O3 P -","- C106 H100 Cl6 N8 O6 P2 -","2","1","","Bin Liu; Xiaofang Li; Xin Xu; Marcin Stępień; Piotr J. Chmielewski","3-(Dialkoxyphosphoryl)-N-confused Phlorin and Porphyrin. Synthesis, Stereochemistry, and Coordination Properties","Journal of Organic Chemistry","2013","78","","1354","1364","10.1021/jo302689d","","","1.54178","CuKα","","0.2518","0.1156","","","0.3018","0.3193","","","","","","1.558","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027966","28.9133","0.001","11.6762","0.0004","31.8371","0.0018","90","","104.692","0.004","90","","10396.7","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Cd Cl N4 O3 P -","- C52 H46 Cd Cl N4 O3 P -","- C416 H368 Cd8 Cl8 N32 O24 P8 -","8","1","","Bin Liu; Xiaofang Li; Xin Xu; Marcin Stępień; Piotr J. Chmielewski","3-(Dialkoxyphosphoryl)-N-confused Phlorin and Porphyrin. Synthesis, Stereochemistry, and Coordination Properties","Journal of Organic Chemistry","2013","78","","1354","1364","10.1021/jo302689d","","","0.71073","MoKα","","0.1018","0.0707","","","0.1506","0.1612","","","","","","1.064","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027967","9.174","0.004","11.595","0.004","23.778","0.01","90","","90","","90","","2529.3","1.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl N3 O3 -","- C27 H30 Cl N3 O3 -","- C108 H120 Cl4 N12 O12 -","4","1","","Lei Zhao; Yudao Ma; Fuyan He; Wenzeng Duan; Jianqiang Chen; Chun Song","Enantioselective β-Boration of Acyclic Enones by a [2.2]Paracyclophane-Based N-Heterocyclic Carbene Copper(I) Catalyst","Journal of Organic Chemistry","2013","78","","1677","1681","10.1021/jo302694d","","","0.71073","MoKα","","0.0932","0.0556","","","0.1393","0.1698","","","","","","0.952","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027968","10.8557","0.0008","7.3889","0.0005","19.8046","0.0014","90","","100.406","0.001","90","","1562.43","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","organic","organic","","- C15 H15 Cl N2 O4 -","- C15 H15 Cl N2 O4 -","- C60 H60 Cl4 N8 O16 -","4","1","","Xinfang Xu; Peter Y. Zavalij; Wenhao Hu; Michael P. Doyle","Vinylogous Reactivity of Enol Diazoacetates with Donor-Acceptor Substituted Hydrazones. Synthesis of Substituted Pyrazole Derivatives","Journal of Organic Chemistry","2013","78","","1583","1588","10.1021/jo302696y","","","0.71073","MoKα","","0.0456","0.0378","","","0.0747","0.0761","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027969","7.3396","0.0006","8.7082","0.0006","9.9553","0.0009","85.772","0.002","74.592","0.003","89.535","0.003","611.71","0.09","173.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C32 H28 O6 -","2","1","","Masahiro Yoshida; Tomomi Nakagawa; Kouki Kinoshita; Kozo Shishido","Regiocontrolled Construction of Furo[3,2-c]pyran-4-one Derivatives by Palladium-Catalyzed Cyclization of Propargylic Carbonates with 4-Hydroxy-2-pyrones","Journal of Organic Chemistry","2013","78","","1687","1692","10.1021/jo3027092","","","0.7107","MoKα","","","0.084","","","","0.155","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027970","14.0092","0.0011","5.4563","0.0004","19.4651","0.0012","90","","104.045","0.005","90","","1443.4","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F N2 O -","- C17 H15 F N2 O -","- C68 H60 F4 N8 O4 -","4","1","","Liangguang Wang; Xiaoqiang Yu; Xiujuan Feng; Ming Bao","Synthesis of 3,5-Disubstituted Pyrazoles via Cope-Type Hydroamination of 1,3-Dialkynes","Journal of Organic Chemistry","2013","78","","1693","1698","10.1021/jo302732v","","","0.71073","MoKα","","0.1023","0.058","","","0.1564","0.178","","","","","","1.029","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027971","5.2028","0.0003","12.2999","0.0007","27.7966","0.0015","90","","90","","90","","1778.81","0.17","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Stefan C. Söderman; Adrian L. Schwan","Sulfenate Substitution as a Complement and Alternative to Sulfoxidation in the Diastereoselective Preparation of Chiral β-Substituted β-Amino Sulfoxides","Journal of Organic Chemistry","2013","78","","1638","1649","10.1021/jo302769b","","","1.54178","CuKα","","0.032","0.0306","","","0.0812","0.082","","","","","","1.069","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027972","9.0163","0.0009","8.9386","0.0009","10.7156","0.001","90","","104.137","0.001","90","","837.45","0.14","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","11197a","","","- C19 H19 N O6 -","- C19 H19 N O6 -","- C38 H38 N2 O12 -","2","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.0397","0.0344","","","0.0821","0.086","","","","","","1.072","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027973","9.107","0.003","11.053","0.004","24.15","0.008","90","","90","","90","","2430.9","1.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","11226a","","","- C26 H24 Cl3 N O7 -","- C26 H24 Cl3 N O7 -","- C104 H96 Cl12 N4 O28 -","4","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.031","0.028","","","0.0626","0.0644","","","","","","1.01","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027974","14.202","0.002","6.261","0.0009","19.724","0.003","90","","94.402","0.002","90","","1748.7","0.4","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.0687","0.0461","","","0.0892","0.0989","","","","","","1.015","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027975","6.7377","0.0008","14.7429","0.0018","18.131","0.002","90","","90","","90","","1801","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","Yunfei Du; Elizabeth H. Krenske; Jennifer E. Antoline; Andrew G. Lohse; K. N. Houk; Richard P. Hsung","Control of Regioselectivity and Stereoselectivity in (4 + 3) Cycloadditions of Chiral Oxyallyls with Unsymmetrically Disubstituted Furans","Journal of Organic Chemistry","2013","78","","1753","1759","10.1021/jo3011792","","","0.71073","MoKα","","0.0423","0.036","","","0.0859","0.091","","","","","","1.049","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027976","7.4036","0.0005","40.272","0.003","9.8627","0.0006","90","","104.307","0.005","90","","2849.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H19 Fe N9 -","- C34 H19 Fe N9 -","- C136 H76 Fe4 N36 -","4","1","","Benjamin Breiten; Markus Jordan; Daisuke Taura; Michal Zalibera; Markus Griesser; Daria Confortin; Corinne Boudon; Jean-Paul Gisselbrecht; W. Bernd Schweizer; Georg Gescheidt; François Diederich","Donor-Substituted Octacyano[4]dendralenes: Investigation of π-Electron Delocalization in Their Radical Ions","Journal of Organic Chemistry","2013","78","","1760","1767","10.1021/jo301194y","","","1.54178","CuKα","","0.1535","0.0603","","","0.154","0.1831","","","","","","1.066","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027977","8.48","0.003","15.471","0.004","18.112","0.005","91.016","0.007","94.203","0.008","93.318","0.008","2365.2","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H32 Cl4 N10 -","- C54 H32 Cl4 N10 -","- C108 H64 Cl8 N20 -","2","1","","Benjamin Breiten; Markus Jordan; Daisuke Taura; Michal Zalibera; Markus Griesser; Daria Confortin; Corinne Boudon; Jean-Paul Gisselbrecht; W. Bernd Schweizer; Georg Gescheidt; François Diederich","Donor-Substituted Octacyano[4]dendralenes: Investigation of π-Electron Delocalization in Their Radical Ions","Journal of Organic Chemistry","2013","78","","1760","1767","10.1021/jo301194y","","","0.71073","MoKα","","0.2141","0.0956","","","0.2149","0.2696","","","","","","1.147","","","","has coordinates,has disorder","178458","2020-10-21","18:00:00",""
"4027978","29.2377","0.0006","8.1211","0.0002","5.9432","0.0001","90","","90","","90","","1411.17","0.05","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H21 N O -","- C17 H21 N O -","- C68 H84 N4 O4 -","4","1","","Amy M. Green; Hannah R. Naughton; Zachariah B. Nealy; Robert D. Pike; Christopher J. Abelt","Carbonyl-Twisted 6-Acyl-2-dialkylaminonaphthalenes as Solvent Acidity Sensors","Journal of Organic Chemistry","2013","78","","1784","1789","10.1021/jo301263g","","","1.54178","CuKα","","0.0466","0.0462","","","0.1307","0.131","","","","","","1.031","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027979","9.437","0.0013","9.9383","0.0014","22.121","0.003","90","","90","","90","","2074.7","0.5","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O4 S -","- C23 H22 N2 O4 S -","- C92 H88 N8 O16 S4 -","4","1","","Kong-Zhen Hu; Jie Ma; Shi Qiu; Xiao Zheng; Pei-Qiang Huang","SmI2-Mediated Intermolecular Coupling of γ-LactamN-α-Radicals with Activated Alkenes: Asymmetric Synthesis of 11-Hydroxylated Analogues of the Lead Compounds CP-734432 and PF-04475270","Journal of Organic Chemistry","2013","78","","1790","1801","10.1021/jo301277n","","","0.71073","MoKα","","0.0418","0.0396","","","0.101","0.1025","","","","","","1.044","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4027980","3.9024","0.0001","18.9972","0.0004","14.5823","0.0003","90","","92.162","0.001","90","","1080.28","0.04","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","methyl 6-phenylpyran-2-one-4-carboxylate","","- C13 H10 O4 -","- C13 H10 O4 -","- C52 H40 O16 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0402","0.0347","","","0.0972","0.1025","","","","","","1.051","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027981","17.9308","0.0004","8.6679","0.0002","12.188","0.0002","90","","91.474","0.001","90","","1893.66","0.07","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","dimethyl spiro[endo-5-phenacylbicyclo[2.2.1]hept-2-ene- exo-5,endo-6-dicarboxylate-7,1'-cyclopropane]","","- C21 H22 O5 -","- C21 H22 O5 -","- C84 H88 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0575","0.0456","","","0.1321","0.1484","","","","","","1.007","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027982","15.6683","0.0004","18.0653","0.0005","22.3298","0.0006","70.632","0.002","72.214","0.002","74.598","0.002","5582.1","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl spiro[exo-5-phenacylbicyclo[2.2.1] hept-2-ene-endo-5,endo-6-dicarboxylate-7,1'-cyclopropane]","","- C21 H22 O5 -","- C21 H22 O5 -","- C252 H264 O60 -","12","6","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.223","0.0565","","","0.1396","0.2233","","","","","","0.907","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027983","7.6468","0.0001","13.3878","0.0003","17.294","0.0003","90","","90","","90","","1770.45","0.06","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","none","dimethyl (1RS, 4SR, 5RS, 6SR)-endo-5-((1'RS)-1'-benzoylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0859","0.0819","","","0.2187","0.2277","","","","","","1.046","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027984","8.5804","0.0001","8.7358","0.0001","16.1135","0.0002","98.901","0.001","94.857","0.001","113.388","0.001","1080.92","0.02","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 4SR, 5RS, 6SR)-endo-5- ((1'RS)-1'-benzoyl-2'-phenylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate","","- C26 H26 O5 -","- C26 H26 O5 -","- C52 H52 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0512","0.0416","","","0.119","0.1291","","","","","","1.005","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027985","8.6424","0.0002","11.4282","0.0002","22.3162","0.0005","90","","92.055","0.001","90","","2202.69","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","none","dimethyl (1RS, 4SR, 5RS, 6SR)-endo-5- ((1'SR)-1'-benzoyl-2'-phenylethyl)bicyclo[2.2.1] hept-2-ene-exo-5,endo-6-dicarboxylate","","- C26 H26 O5 -","- C26 H26 O5 -","- C104 H104 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.065","0.0445","","","0.1172","0.1363","","","","","","0.999","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027986","9.3974","0.0002","9.5924","0.0002","12.4627","0.0002","99.479","0.001","108.515","0.001","93.667","0.001","1042.59","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl exo-5-(1'-benzoyl-1'-phenylmethyl) bicyclo[2.2.1]hept-2-ene-endo-5,exo-6-dicarboxylate","","- C25 H24 O5 -","- C25 H24 O5 -","- C50 H48 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0503","0.0437","","","0.1221","0.1301","","","","","","1.017","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027987","8.5739","0.0006","9.0535","0.0007","16.3809","0.0015","99.041","0.005","93.136","0.005","114.132","0.003","1135.98","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 4RS, 5RS, 6SR)-spiro [(1''RS)-endo-5-(1''-benzoyl-2''-phenylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate-7,1'-cyclopropane]","","- C28 H28 O5 -","- C28 H28 O5 -","- C56 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0586","0.0511","","","0.1592","0.1723","","","","","","0.918","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027988","9.8314","0.0002","9.0122","0.0002","13.5105","0.0003","90","","99.774","0.001","90","","1179.69","0.04","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","none","dimethyl (1RS, 4RS, 5RS, 6SR)-spiro [endo-5-((1''SR)-1''-benzoyl-2''-phenylethyl) bicyclo[2.2.1]hept-2-ene-exo-5,endo-6-dicarboxylate-7,1'-cyclopropane]","","- C28 H28 O5 -","- C28 H28 O5 -","- C56 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0652","0.0416","","","0.1008","0.1143","","","","","","1.017","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027989","7.8067","0.0001","6.1544","0.0001","29.8237","0.0003","90","","93.767","0.001","90","","1429.8","0.03","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","delta-oxetane","Methyl (1RS, 3SR, 4RS, 5RS, 6SR, 9RS, 10SR)-11-oxa-3- phenyltetracyclo[4.3.1.13,5.04,9]undecane-10-carboxylate","","- C18 H20 O3 -","- C18 H20 O3 -","- C72 H80 O12 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0706","0.0498","","","0.1211","0.1327","","","","","","1.028","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027990","22.3257","0.001","21.0462","0.0009","21.4409","0.001","90","","107.855","0.002","90","","9589.2","0.8","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","elimination product","Methyl endo-5-hydroxy-2-methyl-3-phenyltricyclo [4.3.1.0^4,9^]dec-2-ene-exo-10-carboxylate","","- C19 H22 O3 -","- C19 H22 O3 -","- C456 H528 O72 -","24","3","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.1559","0.0481","","","0.1518","0.231","","","","","","0.927","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027991","6.0802","0.0003","11.6812","0.0006","12.2613","0.0006","95.495","0.003","92.632","0.003","101.434","0.003","847.76","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1SR, 2RS, 3RS, 5SR, 6SR, 7RS, 9SR, 10SR)- 3-hydroxy-3-phenyltetracyclo [3.3.1.1^7,9^.0^2,6^]decane-9,10-dicaboxylate","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0581","0.0402","","","0.1072","0.1193","","","","","","0.984","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027992","9.8942","0.0003","10.2782","0.0003","12.6652","0.0004","66.741","0.002","89.148","0.002","77.118","0.002","1149.67","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 2RS, 3SR, 4SR, 5RS, 6SR, 7RS, 9SR, 10SR)- spiro[3-hydroxy-3,4-diphenyltetracyclo[3.3.1.1^7,9^.0^2,6^] decane-9,10-dicaboxylate-8,1'-cyclopropane]","","- C28 H28 O5 -","- C28 H28 O5 -","- C56 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0531","0.0392","","","0.1022","0.1173","","","","","","0.958","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027993","9.6324","0.0012","14.8876","0.0019","16.35","0.002","68.818","0.007","89.637","0.007","73.735","0.007","2086.9","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 2RS, 3RS, 4SR, 5RS, 6SR, 7RS, 9SR, 10SR)- spiro[4-ethyl-3-hydroxy-3-phenyltetracyclo[3.3.1.1^7,9^.0^2,6^] decane-9,10-dicaboxylate-8,1'-cyclopropane]","","- C24 H28 O5 -","- C24 H28 O5 -","- C96 H112 O20 -","4","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0869","0.0771","","","0.203","0.2168","","","","","","1.026","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027994","8.5945","0.0001","11.1423","0.0002","11.3638","0.0002","88.382","0.001","79.091","0.001","74.839","0.001","1031.11","0.03","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 3RS, 4RS, 5SR, 6SR, 7RS, 8SR, 9SR)- spiro[6-hydroxy-6-phenyl-5-propyltetracyclo[3.2.1.1^3,8^.0^4,7^] nonane-8,9-dicaboxylate-2,1'-cyclopropyl]","","- C24 H28 O5 -","- C24 H28 O5 -","- C48 H56 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0436","0.039","","","0.1117","0.1185","","","","","","0.949","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027995","7.6888","0.0002","25.3925","0.0008","12.9468","0.0004","90","","90","","90","","2527.71","0.13","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","none","dimethyl 11,12-dioxatetracyclo[6.2.1.1^3,6^.0^2,7^] dodeca-4,9-diene-2,7-dicarboxylate","","- C14 H14 O6 -","- C14 H14 O6 -","- C112 H112 O48 -","8","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.08","0.0681","","","0.1895","0.1981","","","","","","1.115","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027996","5.9681","0.0001","32.3016","0.0004","8.5098","0.0001","90","","95.708","0.001","90","","1632.38","0.04","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","none","dimethyl exo-5-phenacylbicyclo[2.2.1]hept-2-ene-endo-5,exo-6-dicarboxylate","","- C19 H20 O5 -","- C19 H20 O5 -","- C76 H80 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0454","0.0371","","","0.0987","0.1058","","","","","","1.016","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027997","10.8266","0.0003","8.326","0.0002","19.1289","0.0005","90","","93.793","0.001","90","","1720.55","0.08","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","none","dimethyl (1RS, 4SR, 5SR, 6RS)-exo-5-((2'RS)-1'-indanon-2'-yl) bicyclo[2.2.1]hept-2-ene-endo-5,exo-6-dicarboxylate","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0519","0.044","","","0.1221","0.1299","","","","","","1.028","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027998","10.4496","0.0005","18.3597","0.0008","15.3287","0.0007","90","","94.863","0.002","90","","2930.2","0.2","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","none","methyl (1RS, 4SR, 5RS, 6SR)-exo-6- ((2'RS)-1'-indanon-2'-yl)bicyclo[2.2.1] hept-2-ene-endo-5-carboxylate","","- C18 H18 O3 -","- C18 H18 O3 -","- C144 H144 O24 -","8","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0489","0.0401","","","0.1067","0.1161","","","","","","0.998","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4027999","9.303","0.0001","9.3452","0.0001","11.6049","0.0001","82.811","0.001","84.72","0.001","66.999","0.001","920.372","0.018","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1SR, 4RS, 5RS, 6RS)-exo-5- ((2'SR, 3'RS)-3'-methyl-1'-indanon-2'-yl) bicyclo[2.2.1]hept-2-ene-endo-5,endo-6-dicarboxylate","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0491","0.0438","","","0.1223","0.1304","","","","","","1.013","","","","has coordinates","178458","2020-10-21","18:00:00",""
"4028000","9.9431","0.0001","14.1487","0.0002","30.3355","0.0004","90","","96.712","0.001","90","","4238.41","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23.5 O5 -","- C26 H23.5 O5 -","- C208 H188 O40 -","8","2","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0804","0.0694","","","0.2043","0.2175","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028001","9.4925","0.0004","11.313","0.0005","11.628","0.0005","67.47","0.002","82.067","0.002","69.069","0.002","1077.3","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","none","dimethyl (1RS, 4SR, 5SR, 6RS)-exo-5- ((2'SR, 3'SR)-3'-phenyl-1'-indanon-2'-yl) bicyclo[2.2.1]hept-2-ene-endo-5,exo-6-dicarboxylate","","- C26 H24 O5 -","- C26 H24 O5 -","- C52 H48 O10 -","2","1","","Roman A. Valiulin; Teresa M. Arisco; Andrei G. Kutateladze","Photoinduced Intramolecular Cyclopentanation vs Photoprotolytic Oxametathesis in Polycyclic Alkenes Outfitted with Conformationally Constrained Aroylmethyl Chromophores","Journal of Organic Chemistry","2013","78","","2012","2025","10.1021/jo301909j","","","0.71073","MoKα","","0.0445","0.0391","","","0.1061","0.1118","","","","","","0.996","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028002","12.947","0.001","13.2698","0.001","18.1285","0.0014","75.764","0.004","75.34","0.004","69.306","0.004","2776.3","0.4","143","1","143","1","","","","","","","","3","P -1","-P 1","2","","","","- C41 H27 Br -","- C41 H27 Br -","- C164 H108 Br4 -","4","2","","Frank B. Mallory; Clelia W. Mallory; Colleen K. Regan; Rebecca J. Aspden; Annie Butler Ricks; Joy M. Racowski; Abigail I. Nash; Ahmara V. Gibbons; Patrick J. Carroll; Joseph M. Bohen","Phenyl Groups versus tert-Butyl Groups as Solubilizing Substituents for Some [5]Phenacenes and [7]Phenacenes","Journal of Organic Chemistry","2013","78","","2040","2045","10.1021/jo3020819","","","1.54178","CuKα","","0.0445","0.0401","","","0.1137","0.1164","","","","","","1.164","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028003","8.802","0.002","12.636","0.003","13.191","0.003","111.156","0.003","93.692","0.004","104.707","0.003","1303.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 Br O8 -","- C29 H29 Br O8 -","- C58 H58 Br2 O16 -","2","1","","Samuel R. S. Sarsah; Marlon R. Lutz; Matthias Zeller; David S. Crumrine; Daniel P. Becker","Rearrangement of Cyclotriveratrylene (CTV) Diketone: 9,10-Diarylanthracenes with OLED Applications","Journal of Organic Chemistry","2013","78","","2051","2058","10.1021/jo302139w","","","0.71073","MoKα","","0.0642","0.0485","","","0.1297","0.1398","","","","","","1.049","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028004","9.2842","0.0019","12.395","0.003","12.941","0.003","86.217","0.003","70.284","0.003","86.07","0.003","1397.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 Br Cl2 O8 -","- C28 H27 Br Cl2 O8 -","- C56 H54 Br2 Cl4 O16 -","2","1","","Samuel R. S. Sarsah; Marlon R. Lutz; Matthias Zeller; David S. Crumrine; Daniel P. Becker","Rearrangement of Cyclotriveratrylene (CTV) Diketone: 9,10-Diarylanthracenes with OLED Applications","Journal of Organic Chemistry","2013","78","","2051","2058","10.1021/jo302139w","","","0.71073","MoKα","","0.0725","0.0591","","","0.1601","0.1682","","","","","","1.084","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028005","5.8187","0.0008","9.6719","0.0013","30.809","0.004","90","","90","","90","","1733.9","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C92 H80 N8 O4 -","4","1","","Ni-tao Zhang; Cheng-chu Zeng; Chiu Marco Lam; Randi K. Gbur; R. Daniel Little","Triarylimidazole Redox Catalysts: Electrochemical Analysis and Empirical Correlations","Journal of Organic Chemistry","2013","78","","2104","2110","10.1021/jo302309m","","","0.71073","MoKα","","0.0451","0.039","","","0.0895","0.0917","","","","","","1.089","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028006","11.194","0.005","11.997","0.005","12.342","0.005","89.61","0.005","80.206","0.005","64.565","0.005","1470.9","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 O4 S -","- C32 H34 N2 O4 S -","- C64 H68 N4 O8 S2 -","2","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","","0.71069","MoKα","","0.1862","0.1009","","","0.2178","0.279","","","","","","1.119","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028007","10.408","0.005","11.505","0.005","13.445","0.005","101.221","0.005","106.997","0.005","107.056","0.005","1401","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 O4 S -","- C32 H34 N2 O4 S -","- C64 H68 N4 O8 S2 -","2","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","x-ray","0.71069","MoKα","","0.1131","0.0767","","","0.2","0.2923","","","","","","1.122","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028008","11.951","0.005","11.17","0.005","19.919","0.005","90","","91.076","0.005","90","","2658.6","1.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 O4 S -","- C31 H32 N2 O4 S -","- C124 H128 N8 O16 S4 -","4","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","","0.71069","MoKα","","0.2001","0.0805","","","0.1542","0.214","","","","","","0.937","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028009","10.816","0.005","11.834","0.005","13.362","0.005","95.574","0.005","110.301","0.005","111.794","0.005","1438.4","1.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N3 O6 S -","- C32 H33 N3 O6 S -","- C64 H66 N6 O12 S2 -","2","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","","0.71069","MoKα","","0.1298","0.0797","","","0.1897","0.2688","","","","","","1.113","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028010","12.422","0.005","23.512","0.005","11.263","0.005","90","","115.713","0.005","90","","2963.8","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N2 O5 S -","- C33 H36 N2 O5 S -","- C132 H144 N8 O20 S4 -","4","1","","Manas K. Ghorai; Koena Ghosh; A. K. Yadav; Y. Nanaji; Sandipan Halder; Masthanvali Sayyad","Memory of Chirality (MOC) Concept in Imino-Aldol Reaction: Enantioselective Synthesis of α,β-Diamino Esters and Aziridines","Journal of Organic Chemistry","2013","78","","2311","2326","10.1021/jo302018a","","","0.71069","MoKα","","0.1616","0.0729","","","0.1517","0.2049","","","","","","0.947","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028011","5.442","","11.7123","0.0002","19.0408","0.0013","90","","90","","90","","1213.63","0.09","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-ethyl 2-hydroxy-6-((R)-5-oxo-2,5-dihydrofuran-2-yl) cyclohex-1-enecarboxylate","","- C13 H16 O5 -","- C13 H16 O5 -","- C52 H64 O20 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.0342","0.0326","","","0.0824","0.0843","","","","","","1.106","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028012","12.725","0.005","8.406","0.004","23.918","0.006","90","","95.128","0.005","90","","2548.2","1.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 O8 P -","- C29 H25 O8 P -","- C116 H100 O32 P4 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.1182","0.054","","","0.1075","0.1729","","","","","","1.114","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028013","9.041","0.0002","19.0319","0.0005","15.9413","0.0013","90","","116.538","0.006","90","","2454","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 O8 P -","- C26 H27 O8 P -","- C104 H108 O32 P4 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.0976","0.0738","","","0.1876","0.2172","","","","","","1.154","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028014","7.6937","0.0004","9.5654","0.0006","19.816","0.0013","90","","90","","90","","1458.33","0.15","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-ethyl 2-hydroxy-5,5-dimethyl-6-((R)-5-oxo-2,5-dihydrofuran-2-yl) cyclohex-1-enecarboxylate","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Xavier Jusseau; Pascal Retailleau; Laurent Chabaud; Catherine Guillou","Catalytic Enantioselective Vinylogous Mukaiyama-Michael Addition of 2-Silyloxyfurans to Cyclic Unsaturated Oxo Esters","Journal of Organic Chemistry","2013","78","","2289","2300","10.1021/jo3020648","","","1.54187","CuKα","","0.0492","0.0444","","","0.1044","0.1107","","","","","","1.096","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028015","7.8825","0.0008","10.8228","0.0011","15.9897","0.0017","87.01","0.002","88.663","0.002","76.653","0.002","1325.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 F2 O2 -","- C36 H26 F2 O2 -","- C72 H52 F4 O4 -","2","1","","Maozhong Miao; Jian Cao; Jingjing Zhang; Xian Huang; Luling Wu","Cu(I)-Catalyzed Domino Reaction of 3-Cyclopropylideneprop-2-en-1-ones","Journal of Organic Chemistry","2013","78","","2687","2692","10.1021/jo302312y","","","0.71073","MoKα","","0.0659","0.0558","","","0.1508","0.16","","","","","","1.035","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028016","15.9127","0.0003","15.9127","0.0003","19.3896","0.0005","90","","90","","90","","4909.72","0.18","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","(26IO)4","","","- C48 H28 N12 O8 -","- C48 H28 N12 O8 -","- C192 H112 N48 O32 -","4","0.5","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.046","0.0422","","","0.1135","0.1164","","","","","","1.023","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028017","12.5381","0.0001","11.7299","0.0001","28.1349","0.0003","90","","92.935","0.001","90","","4132.39","0.07","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(IO)3:2DMSO","","","- C43 H36 N6 O8 S2 -","- C43 H36 N6 O8 S2 -","- C172 H144 N24 O32 S8 -","4","1","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.0607","0.0574","","","0.1586","0.1625","","","","","","1.053","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028018","11.9279","0.0009","12.0291","0.0009","16.8723","0.0013","84.618","0.006","86.984","0.006","76.201","0.007","2339.5","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","(IO)4_CHCl3","","","- C53 H33 Cl3 N8 O8 -","- C53 H33 Cl3 N8 O8 -","- C106 H66 Cl6 N16 O16 -","2","1","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.0567","0.0448","","","0.1118","0.1232","","","","","","1.037","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028019","13.3884","0.0004","13.5458","0.0004","20.0062","0.0007","76.205","0.003","89.176","0.002","89.633","0.002","3523.2","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","(26IO)3_CHCl3","","","- C36.8 H22.85 Cl1.35 N9 O6.25 -","- C36.8 H22.85 Cl1.35 N9 O6.25 -","- C147.2 H91.4 Cl5.4 N36 O25 -","4","2","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.072","0.0595","","","0.1619","0.1758","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028020","22.7814","0.0001","22.7814","0.0001","19.0308","0.0001","90","","90","","90","","9876.84","0.08","294","2","294","2","","","","","","","","5","P -4 21 c","P -4 2n","114","(26IO)4_OC","","","- C99 H61 Cl7 N24 O16 -","- C99 H61 Cl7 N24 O16 -","- C396 H244 Cl28 N96 O64 -","4","0.5","","Pavle Mocilac; John F. Gallagher","Trezimides and Tennimides: New Imide-Based Macrocycles","Journal of Organic Chemistry","2013","78","","2355","2361","10.1021/jo302448h","","","1.54184","CuKα","","0.0487","0.0458","","","0.1316","0.1358","","","","","","1.028","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028021","8.5291","0.0011","12.2811","0.0015","13.3324","0.0016","70.573","0.002","80.1","0.002","81.923","0.002","1292.2","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H29 Br N2 O5 S -","- C25 H29 Br N2 O5 S -","- C50 H58 Br2 N4 O10 S2 -","2","1","","Jian Chen; Zhi-Cong Geng; Ning Li; Xiao-Fei Huang; Feng-Feng Pan; Xing-Wang Wang","Organocatalytic Asymmetric Michael Addition of Aliphatic Aldehydes to Indolylnitroalkenes: Access to Contiguous Stereogenic Tryptamine Precursors","Journal of Organic Chemistry","2013","78","","2362","2372","10.1021/jo3024945","","","0.71073","MoKα","","0.0739","0.0696","","","0.1919","0.194","","","","","","1.071","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028022","7.359","0.005","7.989","0.005","12.405","0.005","83.867","0.005","80.951","0.005","87.08","0.005","715.7","0.7","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C30 H40 O10 -","2","2","","Biswajit Panda; Tarun K. Sarkar","Gold Catalysis: Regio- and Stereoselective Total Synthesis of Xyloketals D and G and the Related Natural Product Alboatrin","Journal of Organic Chemistry","2013","78","","2413","2421","10.1021/jo302545n","","","0.71073","MoKα","","0.1061","0.0545","","","0.1526","0.1899","","","","","","1.016","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028023","11.506","0.003","22.806","0.005","12.71","0.003","90","","107.571","0.003","90","","3179.6","1.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H70 O8 Si4 -","- C56 H102 O8 Si4 -","- C112 H204 O16 Si8 -","2","1","","Liang Lu; Wei Zhang; Sangkil Nam; David A. Horne; Richard Jove; Rich G. Carter","Amphidinolide B: Total Synthesis, Structural Investigation, and Biological Evaluation","Journal of Organic Chemistry","2013","78","","2213","2247","10.1021/jo3026077","","","0.71073","MoKα","","0.0986","0.0709","","","0.1756","0.198","","","","","","0.999","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028024","17.131","0.003","18.112","0.003","19.066","0.003","90","","102.984","0.002","90","","5764.5","1.7","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 O4 -","- C38 H38 O4 -","- C304 H304 O32 -","8","2","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.0833","0.055","","","0.1204","0.1352","","","","","","0.999","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028025","15.4234","0.0018","15.0184","0.0018","14.9236","0.0018","90","","118.807","0.001","90","","3029","0.6","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 O4 -","- C40 H42 O4 -","- C160 H168 O16 -","4","1","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.0812","0.0586","","","0.1363","0.1459","","","","","","1.084","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028026","9.8661","0.0015","37.305","0.006","13.776","0.002","90","","104.852","0.002","90","","4900.9","1.3","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 O4 -","- C42 H46 O4 -","- C252 H276 O24 -","6","1.5","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.0744","0.0491","","","0.1127","0.1256","","","","","","1.029","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028027","13.017","0.005","13.523","0.005","16.174","0.006","78.252","0.005","69.584","0.005","68.704","0.004","2476.4","1.6","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C50 H74 O4 Si4 -","- C50 H74 O4 Si4 -","- C100 H148 O8 Si8 -","2","1","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.1449","0.0611","","","0.1195","0.1468","","","","","","0.84","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028028","10.5768","0.001","13.5065","0.0013","12.0761","0.0012","90","","90.12","0.001","90","","1725.1","0.3","93","","93","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","0.5","","Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi","Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material","Journal of Organic Chemistry","2013","78","","2206","2212","10.1021/jo302621k","","","0.71073","MoKα","","0.0415","0.0375","","","0.0986","0.1016","","","","","","1.106","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028029","15.957","0.004","4.0031","0.001","15.819","0.004","90","","116.708","0.003","90","","902.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 Br S3 -","- C8 H3 Br S3 -","- C32 H12 Br4 S12 -","4","1","","Hui Han; Wenling Zhao; Jinsheng Song; Chunli Li; Hua Wang","Selectivity of Br/Li Exchange and Deprotonation of 4,4'-Dibromo-3,3'-bithiophene for Synthesis of Symmetrical and Unsymmetrical Dithienoheteroaromatic Rings","Journal of Organic Chemistry","2013","78","","2726","2730","10.1021/jo302635y","","","0.71073","MoKα","","0.1372","0.0858","","","0.2057","0.2367","","","","","","0.916","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028030","7.802","0.01","7.872","0.011","15.48","0.02","84.27","0.02","84.91","0.02","82.84","0.02","936","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H3 Br O S2 -","- C9 H3 Br O S2 -","- C36 H12 Br4 O4 S8 -","4","2","","Hui Han; Wenling Zhao; Jinsheng Song; Chunli Li; Hua Wang","Selectivity of Br/Li Exchange and Deprotonation of 4,4'-Dibromo-3,3'-bithiophene for Synthesis of Symmetrical and Unsymmetrical Dithienoheteroaromatic Rings","Journal of Organic Chemistry","2013","78","","2726","2730","10.1021/jo302635y","","","0.71073","MoKα","","0.1331","0.0739","","","0.1632","0.1802","","","","","","1.006","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028031","8.681","0.005","9.419","0.005","11.422","0.01","100.02","0.03","97.28","0.03","116.291","0.018","802.3","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C36 H40 O8 -","2","1","","Debjit Das; Sanjay Pratihar; Sujit Roy","Heterobimetallic Pd-Sn Catalysis: Michael Addition Reaction with C-, N-, O-, and S-Nucleophiles and in Situ Diagnostics","Journal of Organic Chemistry","2013","78","","2430","2442","10.1021/jo302643v","","","0.71073","MoKα","","0.123","0.0508","","","0.1208","0.1551","","","","","","0.929","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028032","5.6935","0.0007","7.4544","0.0009","29.487","0.004","90","","93.565","0.004","90","","1249.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O S -","- C15 H14 O S -","- C60 H56 O4 S4 -","4","1","","Debjit Das; Sanjay Pratihar; Sujit Roy","Heterobimetallic Pd-Sn Catalysis: Michael Addition Reaction with C-, N-, O-, and S-Nucleophiles and in Situ Diagnostics","Journal of Organic Chemistry","2013","78","","2430","2442","10.1021/jo302643v","","","0.71073","MoKα","","0.0612","0.0396","","","0.0871","0.0971","","","","","","1.029","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028033","12.015","0.004","15.895","0.005","16.253","0.005","90","","105.595","0.004","90","","2989.7","1.7","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H36 F18 O6 -","- C72 H36 F18 O6 -","- C144 H72 F36 O12 -","2","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0834","0.0677","","","0.1788","0.1916","","","","","","1.132","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028034","10.282","0.006","11.031","0.006","10.571","0.006","90","","109.4","0.008","90","","1130.9","1.1","100.15","","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(5-Bpinfuran-2-yl)acetylene","","","- C22 H28 B2 O6 -","- C22 H28 B2 O6 -","- C44 H56 B4 O12 -","2","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0438","0.0383","","","0.1046","0.1087","","","","","","1.087","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028035","5.765","0.003","9.629","0.004","11.29","0.006","108.22","0.03","100.96","0.03","104.09","0.04","552.8","0.5","93.15","","93.15","","","","","","","","","3","P -1","-P 1","2","","hexa(furan-2-yl)benzene","","- C30 H18 O6 -","- C30 H18 O6 -","- C30 H18 O6 -","1","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0454","0.0388","","","0.1083","0.1121","","","","","","1.081","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028036","7.657","0.004","8.565","0.005","11.673","0.007","98.048","0.01","101.158","0.007","97.855","0.008","733","0.7","93.15","","93.15","","","","","","","","","3","P -1","-P 1","2","hexakis(5-methylfuran-2-yl)benzene","hexakis(5-methylfuran-2-yl)benzene","","- C36 H30 O6 -","- C36 H30 O6 -","- C36 H30 O6 -","1","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0634","0.0457","","","0.1073","0.1187","","","","","","1.002","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028037","16.951","0.002","25.304","0.003","19.179","0.003","90","","90","","90","","8226.4","1.9","100","","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hexakis(5-Bpinfuran-2-yl)benzene","Hexakis[5-(4,4,5,5-tetramethyl-1,3,2-dioxaboryl)-2-furyl]benzene","","- C80 H100 B6 O18 -","- C80 H100 B6 O18 -","- C320 H400 B24 O72 -","4","0.5","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.0754","0.071","","","0.1916","0.1961","","","","","","1.113","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028038","26.337","0.011","11.923","0.005","34.985","0.014","90","","96.567","0.005","90","","10914","8","100.15","","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Hexakis(5-phenylfuran-2-yl)benzene","","- C72 H56 O6 -","- C72 H56 O6 -","- C576 H448 O48 -","8","1","","Koichi Mitsudo; Jyunji Harada; Yo Tanaka; Hiroki Mandai; Chie Nishioka; Hideo Tanaka; Atsushi Wakamiya; Yasujiro Murata; Seiji Suga","Synthesis of Hexa(furan-2-yl)benzenes and Their π-Extended Derivatives","Journal of Organic Chemistry","2013","78","","2763","2768","10.1021/jo302652r","","","0.71075","MoKα","","0.12","0.1049","","","0.2362","0.2461","","","","","","1.244","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028039","7.412","0.005","11.143","0.008","18.737","0.012","90","","94.162","0.015","90","","1543.4","1.8","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br N O3 S -","- C16 H16 Br N O3 S -","- C64 H64 Br4 N4 O12 S4 -","4","1","","Boris Egart; Dieter Lentz; Constantin Czekelius","Diastereoselective Bromocyclization of O-Allyl-N-tosyl-hydroxylamines","Journal of Organic Chemistry","2013","78","","2490","2499","10.1021/jo3026725","","","0.71073","MoKα","","0.0504","0.04","","","0.1057","0.1115","","","","","","1.065","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028040","7.5229","0.0011","9.9379","0.0015","10.546","0.0015","78.088","0.003","88.577","0.003","74.232","0.003","742.02","0.19","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 Br N O3 S -","- C14 H18 Br N O3 S -","- C28 H36 Br2 N2 O6 S2 -","2","1","","Boris Egart; Dieter Lentz; Constantin Czekelius","Diastereoselective Bromocyclization of O-Allyl-N-tosyl-hydroxylamines","Journal of Organic Chemistry","2013","78","","2490","2499","10.1021/jo3026725","","","0.71073","MoKα","","0.0293","0.0239","","","0.0605","0.0633","","","","","","1.065","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028041","9.254","0.0014","17.036","0.003","10.3534","0.0016","90","","94.202","0.003","90","","1627.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H51 N5 O8 -","- C27 H51 N5 O8 -","- C54 H102 N10 O16 -","2","1","","Matteo De Poli; Marta De Zotti; James Raftery; Juan A. Aguilar; Gareth A. Morris; Jonathan Clayden","Left-Handed Helical Preference in an Achiral Peptide Chain Is Induced by an l-Amino Acid in an N-Terminal Type II β-Turn","Journal of Organic Chemistry","2013","78","","2248","2255","10.1021/jo302705k","","","0.71073","MoKα","","0.0727","0.049","","","0.0639","0.0694","","","","","","0.831","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028042","11.926","0.002","8.7132","0.0017","13.814","0.003","90","","94.826","0.004","90","","1430.4","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H43 N5 O7 -","- C24 H43 N5 O7 -","- C48 H86 N10 O14 -","2","1","","Matteo De Poli; Marta De Zotti; James Raftery; Juan A. Aguilar; Gareth A. Morris; Jonathan Clayden","Left-Handed Helical Preference in an Achiral Peptide Chain Is Induced by an l-Amino Acid in an N-Terminal Type II β-Turn","Journal of Organic Chemistry","2013","78","","2248","2255","10.1021/jo302705k","","","0.71073","MoKα","","0.0914","0.0681","","","0.1087","0.1178","","","","","","1.021","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028043","8.103","0.002","9.953","0.003","10.356","0.004","90","","116.195","0.004","90","","749.4","0.4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 S2 -","- C14 H20 N2 S2 -","- C28 H40 N4 S4 -","2","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0519","0.0486","","","0.1337","0.1386","","","","","","1.061","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028044","5.142","0.001","8.5329","0.0017","9.86","0.002","84.688","0.003","83.755","0.002","85.838","0.003","427.35","0.15","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Br2 N2 S2 -","- C14 H18 Br2 N2 S2 -","- C14 H18 Br2 N2 S2 -","1","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0574","0.0535","","","0.1319","0.1344","","","","","","1.047","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028045","13.393","0.002","8.369","0.0014","10.1189","0.0016","90","","107.022","0.002","90","","1084.5","0.3","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N6 S2 -","- C20 H24 N6 S2 -","- C40 H48 N12 S4 -","2","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0486","0.0385","","","0.1104","0.1174","","","","","","1.099","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028046","5.4824","0.0015","9.311","0.003","11.76","0.003","82.339","0.004","77.41","0.003","73.259","0.004","559.4","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N4 S2 -","- C24 H26 N4 S2 -","- C24 H26 N4 S2 -","1","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0596","0.0454","","","0.1174","0.127","","","","","","0.974","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028047","5.175","0.013","25.53","0.06","9.45","0.02","90","","117.87","0.04","90","","1104","4","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N2 S4 -","- C22 H24 N2 S4 -","- C44 H48 N4 S8 -","2","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.1891","0.0918","","","0.2119","0.2475","","","","","","0.952","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028048","5.4606","0.0019","12.111","0.004","14.081","0.005","100.073","0.005","96.591","0.007","101.281","0.006","888.4","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N4 O6 S2 -","- C34 H42 N4 O6 S2 -","- C34 H42 N4 O6 S2 -","1","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.1748","0.0908","","","0.2409","0.2773","","","","","","1.046","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028049","8.436","0.006","9.551","0.007","10.274","0.007","102.203","0.009","105.772","0.009","100.009","0.009","754.7","0.9","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O4 S2 -","- C32 H36 N2 O4 S2 -","- C32 H36 N2 O4 S2 -","1","0.5","","Tao Tao; Yu-Xin Peng; Wei Huang; Xiao-Zeng You","Coplanar Bithiazole-Centered Heterocyclic Aromatic Fluorescent Compounds Having Different Donor/Acceptor Terminal Groups","Journal of Organic Chemistry","2013","78","","2472","2481","10.1021/jo302706t","","","0.71073","MoKα","","0.0528","0.0354","","","0.0763","0.0823","","","","","","0.919","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028050","5.3465","0.0003","20.9082","0.0013","25.018","0.0015","90","","90","","90","","2796.7","0.3","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N O8 -","- C27 H39 N O8 -","- C108 H156 N4 O32 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","1.54184","CuKα","","0.1233","0.0999","","0.2588","0.243","0.2588","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028051","10.3911","0.0003","9.1043","0.0002","13.9722","0.0004","90","","109.534","0.0011","90","","1245.74","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H35 N O4 -","- C26 H35 N O4 -","- C52 H70 N2 O8 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","0.71073","MoKα","","0.0421","0.0352","","0.0873","0.08","0.0873","","","","","","0.9414","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028052","9.9357","0.0005","5.3382","0.0005","25.56","0.003","90","","90.009","0.007","90","","1355.7","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H33 N5 O9 S -","- C23 H33 N5 O9 S -","- C46 H66 N10 O18 S2 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","1.54184","CuKα","","0.0996","0.0907","","0.2431","0.2365","0.2431","","","","","","1.0363","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028053","5.49231","0.00008","16.4313","0.0003","25.747","0.0004","90","","90","","90","","2323.56","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 N O7 -","- C23 H33 N O7 -","- C92 H132 N4 O28 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Emma M. Foster; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of APTO and AETD: the β-Amino Acid Fragments within Microsclerodermins C, D, and E","Journal of Organic Chemistry","2013","78","","2500","2510","10.1021/jo302731m","","","1.54184","CuKα","","0.0333","0.0306","","0.0779","0.0748","0.0779","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028054","8.491","0.004","7.053","0.005","15.167","0.008","90","","99.67","0.01","90","","895.4","0.9","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N4 O3 -","- C20 H24 N4 O3 -","- C40 H48 N8 O6 -","2","1","","Giordano Lesma; Roberto Cecchi; Alfredo Cagnotto; Marco Gobbi; Fiorella Meneghetti; Manuele Musolino; Alessandro Sacchetti; Alessandra Silvani","Tetrahydro-β-carboline-Based Spirocyclic Lactam as Type II' β-Turn: Application to the Synthesis and Biological Evaluation of Somatostatine Mimetics","Journal of Organic Chemistry","2013","78","","2600","2610","10.1021/jo302737j","","x-ray","0.71073","MoKα","","0.0636","0.0582","","","0.1514","0.1592","","","","","","1.061","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028055","10.885","0.0005","11.4534","0.0005","18.6129","0.0009","90","","90","","90","","2320.48","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H40 B2 O2 P2 -","- C20 H40 B2 O2 P2 -","- C80 H160 B8 O8 P8 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKα","","0.0797","0.0541","","","0.1191","0.1719","","","","","","1.188","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028056","6.6655","0.0002","13.8497","0.0004","30.6661","0.001","90","","90","","90","","2830.95","0.15","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H48 B2 O4 P2 -","- C24 H48 B2 O4 P2 -","- C96 H192 B8 O16 P8 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKα","","0.0535","0.0448","","","0.094","0.1085","","","","","","1.132","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028057","10.5555","0.0006","16.2892","0.0009","19.6227","0.001","90","","90","","90","","3373.9","0.3","99","2","99","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H56 B2 O6 P2 -","- C28 H56 B2 O6 P2 -","- C112 H224 B8 O24 P8 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKα","","0.0529","0.0412","","","0.0864","0.1107","","","","","","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028058","11.3813","0.0006","14.2524","0.0008","17.1841","0.001","90","","90","","90","","2787.4","0.3","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 Cl2 O4 P2 Pt -","- C24 H42 Cl2 O4 P2 Pt -","- C96 H168 Cl8 O16 P8 Pt4 -","4","1","","Yasuhiro Morisaki; Ryosuke Kato; Yoshiki Chujo","Synthesis of Enantiopure P-Stereogenic Diphosphacrowns using P-Stereogenic Secondary Phosphines","Journal of Organic Chemistry","2013","78","","2769","2774","10.1021/jo302748x","","","0.71075","MoKa","","0.0416","0.0366","","","0.0713","0.0776","","","","","","1.05","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028059","11.102","0.003","13.823","0.003","21.704","0.006","78.067","0.009","83.121","0.009","69.937","0.008","3056.7","1.4","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C84 H72 O -","- C84 H72 O -","- C168 H144 O2 -","2","1","","Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola","Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors","Journal of Organic Chemistry","2013","78","","2266","2274","10.1021/jo3027752","","","0.71073","MoKα","","0.1051","0.0636","","","0.1698","0.1993","","","","","","1.075","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028060","15.6315","0.0037","15.9006","0.0037","26.612","0.0063","91.09","0.015","105.275","0.015","111.548","0.014","5885","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C254.5 H293 Cl5 O0 Si12 -","- C254.5 H288 Cl5 Si12 -","- C254.5 H288 Cl5 Si12 -","1","0.5","","Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola","Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors","Journal of Organic Chemistry","2013","78","","2266","2274","10.1021/jo3027752","","","0.71073","MoKα","","0.2036","0.0924","","","0.2446","0.3041","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028061","55.846","0.012","6.9266","0.0014","44.338","0.01","90","","95.087","0.017","90","","17083","6","120","2","120","2","","","","","","","","2","C 1 2 1","C 2y","5","","","","- C38 H32 -","- C38 H32 -","- C912 H768 -","24","6","","Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola","Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors","Journal of Organic Chemistry","2013","78","","2266","2274","10.1021/jo3027752","","","0.71073","MoKα","","0.2051","0.1536","","","0.4004","0.4437","","","","","","1.708","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028062","15.4016","0.0005","8.3054","0.0002","25.6869","0.0007","90","","99.922","0.001","90","","3236.63","0.16","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35.6 Cl0.4 O1.2 -","- C50 H34.4 Cl0.4 O1.2 -","- C200 H137.6 Cl1.6 O4.8 -","4","1","","Anirban Pradhan; Pierre Dechambenoit; Harald Bock; Fabien Durola","Twisted Polycyclic Arenes by Intramolecular Scholl Reactions of C3-Symmetric Precursors","Journal of Organic Chemistry","2013","78","","2266","2274","10.1021/jo3027752","","","0.71073","MoKα","","0.0834","0.063","","","0.1882","0.2124","","","","","","1.136","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028063","11.009","0.0003","9.033","0.0003","12.537","0.0004","90","","105.775","0.001","90","","1199.78","0.06","298","2","298","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C10 H18 O7 -","- C10 H18 O7 -","- C40 H72 O28 -","4","1","","Himali Y. Godage; Andrew M. Riley; Timothy J. Woodman; Mark P. Thomas; Mary F. Mahon; Barry V. L. Potter","Regioselective Opening of myo-Inositol Orthoesters: Mechanism and Synthetic Utility","Journal of Organic Chemistry","2013","78","","2275","2288","10.1021/jo3027774","","","0.71073","MoKα","","0.056","0.0429","","","0.1104","0.1212","","","","","","1.049","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028064","9.5443","0.0006","10.3293","0.0005","13.6741","0.0008","93.636","0.004","98.925","0.005","113.086","0.005","1213.6","0.13","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br N O7 -","- C26 H28 Br N O7 -","- C52 H56 Br2 N2 O14 -","2","1","","Mehdi Ghandi; Ali-Tabatabaei Ghomi; Maciej Kubicki","Synthesis of Cyclopentadiene-Fused Chromanones via One-Pot Multicomponent Reactions","Journal of Organic Chemistry","2013","78","","2611","2616","10.1021/jo302790y","","","1.54178","CuKα","","0.0437","0.0428","","","0.1194","0.1204","","","","","","1.064","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028065","5.1732","0.0003","9.5105","0.0006","23.2668","0.0015","90","","90","","90","","1144.72","0.12","299","2","299","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,4S,6R)-3-oxo-4-(2-pyrrolyl)-2,5-diazabicyclo[4.4.0]decane","","- C12 H17 N3 O -","- C12 H17 N3 O -","- C48 H68 N12 O4 -","4","1","","Elżbieta Wojaczyńska; Julia Bąkowicz; Mateusz Dorsz; Jacek Skarżewski","Monoimine Derived from trans-1,2-Diaminocyclohexane and Ethyl Glyoxylate: An Intermediate in Aza-Diels-Alder and Mannich Reactions","Journal of Organic Chemistry","2013","78","","2808","2811","10.1021/jo302820m","","","0.71073","MoKα","","0.0359","0.0319","","","0.0712","0.0735","","","","","","1.095","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028066","8.1475","0.0001","11.0267","0.0002","19.1568","0.0004","90","","90","","90","","1721.05","0.05","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 Cl3 N O3 -","- C15 H18 Cl3 N O3 -","- C60 H72 Cl12 N4 O12 -","4","1","","Che-Wah Lee; Ricardo Lira; Jason Dutra; Kevin Ogilvie; Brian T. O'Neill; Michael Brodney; Christopher Helal; Joseph Young; Erik Lachapelle; Subas Sakya; John C. Murray","Stereoselective Synthesis of Spiropiperidines as BACE-1 Aspartyl Protease Inhibitors via Late Stage N-Arylation of a 1,8-Diazaspiro[4.5]dec-3-en-2-one Pharmacophore","Journal of Organic Chemistry","2013","78","","2661","2669","10.1021/jo400016m","","","1.54178","CuKα","","0.0488","0.0419","","","0.1061","0.1119","","","","","","1.025","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028067","9.1205","0.0016","10.177","0.0017","39.051","0.007","90","","90","","90","","3624.7","1.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 Cl N2 O4 -","- C16 H23 Cl N2 O4 -","- C128 H184 Cl8 N16 O32 -","8","2","","Che-Wah Lee; Ricardo Lira; Jason Dutra; Kevin Ogilvie; Brian T. O'Neill; Michael Brodney; Christopher Helal; Joseph Young; Erik Lachapelle; Subas Sakya; John C. Murray","Stereoselective Synthesis of Spiropiperidines as BACE-1 Aspartyl Protease Inhibitors via Late Stage N-Arylation of a 1,8-Diazaspiro[4.5]dec-3-en-2-one Pharmacophore","Journal of Organic Chemistry","2013","78","","2661","2669","10.1021/jo400016m","","","1.54178","CuKα","","0.0672","0.0584","","","0.1465","0.1583","","","","","","1.059","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028068","10.2036","0.0018","14.265","0.0015","18.965","0.003","90","","97.125","0.011","90","","2739.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H30 N4 O8 -","- C28 H30 N4 O8 -","- C112 H120 N16 O32 -","4","1","","Codruţa C. Paraschivescu; Mihaela Matache; Cristian Dobrotă; Alina Nicolescu; Cătălin Maxim; Călin Deleanu; Ileana C. Fărcăşanu; Niculina D. Hădade","Unexpected Formation of N-(1-(2-Aryl-hydrazono)isoindolin-2-yl)benzamides and Their Conversion into 1,2-(Bis-1,3,4-oxadiazol-2-yl)benzenes","Journal of Organic Chemistry","2013","78","","2670","2679","10.1021/jo400023z","","","0.5608","AgKα","","0.1374","0.0778","","","0.1483","0.1709","","","","","","1.031","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028069","8.3104","0.0009","32.937","0.003","11.4746","0.0012","90","","110.755","0.004","90","","2937","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 Cl N3 O8 -","- C33 H28 Cl N3 O8 -","- C132 H112 Cl4 N12 O32 -","4","2","","Bing Zhou; Yaxi Yang; Jingjing Shi; Zhi Luo; Yuanchao Li","Synthesis of Six-Membered Spirocyclic Oxindoles with Five Consecutive Stereocenters in an Asymmetric Organocatalytic One-Pot Michael/Michael/Aldol Addition Sequence","Journal of Organic Chemistry","2013","78","","2897","2907","10.1021/jo302655u","","","0.71073","MoKα","","0.1542","0.1325","","","0.3514","0.3639","","","","","","1.447","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028070","9.5814","0.0002","6.9221","0.0002","12.0783","0.0003","90","","110.016","0.001","90","","752.69","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Robert D. Giacometti; Jan Duchek; Lukas Werner; Afeef S. Husni; Christopher R. McCurdy; Stephen J. Cutler; D. Phillip Cox; Tomas Hudlicky","Heteroatom Analogues of Hydrocodone: Synthesis and Biological Activity","Journal of Organic Chemistry","2013","78","","2914","2925","10.1021/jo3026753","","","1.54178","CuKα","","0.0307","0.0305","","","0.0852","0.0854","","","","","","1.068","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028071","8.1138","0.0012","13.118","0.002","15.489","0.003","81.523","0.007","81.844","0.007","73.917","0.006","1557.9","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H56 F12 Fe2 N4 O12 S4 -","- C58 H56 F12 Fe2 N4 O12 S4 -","- C58 H56 F12 Fe2 N4 O12 S4 -","1","0.5","","Yonghai Li; Guanxin Zhang; Ge Yang; Yunlong Guo; Chong'an Di; Xin Chen; Zitong Liu; Huiying Liu; Zhenzhen Xu; Wei Xu; Hongbing Fu; Deqing Zhang","Extended π-Conjugated Molecules Derived from Naphthalene Diimides toward Organic Emissive and Semiconducting Materials","Journal of Organic Chemistry","2013","78","","2926","2934","10.1021/jo302677k","","","0.71073","MoKα","","0.07","0.0606","","","0.1268","0.1327","","","","","","1.138","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028072","8.1567","0.001","10.7545","0.0013","12.9755","0.0016","109.98","0.002","103.478","0.002","97.274","0.002","1013.4","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N2 O8 -","- C21 H22 N2 O8 -","- C42 H44 N4 O16 -","2","1","","Laural A. Fisher; Natalee J. Smith; Joseph M. Fox","Chiral Cyclopropenyl Ketones: Reactive and Selective Diels-Alder Dienophiles","Journal of Organic Chemistry","2013","78","","3342","3348","10.1021/jo302683t","","","0.71073","MoKα","","0.0412","0.0385","","","0.1403","0.1483","","","","","","1.04","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028073","10.2995","0.0006","10.9546","0.0006","11.6942","0.0005","89.674","0.004","81.951","0.004","73.64","0.005","1252.74","0.12","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N7 O4 -","- C26 H29 N7 O4 -","- C52 H58 N14 O8 -","2","1","","Davit Jishkariani; C. Dennis Hall; Aydin Demircan; Blake J. Tomlin; Peter J. Steel; Alan R. Katritzky","Push-Pull Triazenes Derived from 1-(Benzylideneamino)- and 1-(Sulfonimido)-azolylidenes","Journal of Organic Chemistry","2013","78","","3349","3354","10.1021/jo302697q","","","1.54184","CuKα","","0.0482","0.0373","","","0.0954","0.1035","","","","","","1.03","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028074","10.1554","0.0004","10.8156","0.0004","10.8847","0.0004","79.384","0.003","82.776","0.003","74.162","0.004","1126.86","0.08","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N6 O2 -","- C27 H22 N6 O2 -","- C54 H44 N12 O4 -","2","1","","Davit Jishkariani; C. Dennis Hall; Aydin Demircan; Blake J. Tomlin; Peter J. Steel; Alan R. Katritzky","Push-Pull Triazenes Derived from 1-(Benzylideneamino)- and 1-(Sulfonimido)-azolylidenes","Journal of Organic Chemistry","2013","78","","3349","3354","10.1021/jo302697q","","","1.54184","CuKα","","0.0411","0.0345","","","0.0879","0.0931","","","","","","1","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028075","7.65041","0.00017","14.0243","0.0003","24.1551","0.0006","90","","91.567","0.002","90","","2590.67","0.1","393","2","393","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 I N6 O2 -","- C28 H25 I N6 O2 -","- C112 H100 I4 N24 O8 -","4","1","","Davit Jishkariani; C. Dennis Hall; Aydin Demircan; Blake J. Tomlin; Peter J. Steel; Alan R. Katritzky","Push-Pull Triazenes Derived from 1-(Benzylideneamino)- and 1-(Sulfonimido)-azolylidenes","Journal of Organic Chemistry","2013","78","","3349","3354","10.1021/jo302697q","","","1.54184","CuKα","","0.0477","0.0431","","","0.1093","0.1138","","","","","","1.045","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028076","8.9185","0.0011","10.0484","0.0013","11.7694","0.0015","66.01","0.003","68.622","0.003","67.713","0.003","863.6","0.19","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C40 H40 O6 S -","- C40 H40 O6 S -","- C40 H40 O6 S -","1","1","","Olivier St-Jean; Michel Prévost; Yvan Guindon","Study of the Endocyclic versus Exocyclic C-O Bond Cleavage Pathways of α- and β-Methyl Furanosides","Journal of Organic Chemistry","2013","78","","2935","2946","10.1021/jo3027438","","","0.71073","MoKα","","0.0435","0.036","","","0.0724","0.0752","","","","","","1.03","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028077","6.1467","0.001","23.558","0.004","9.1819","0.0015","90","","107.636","0.002","90","","1267.1","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Cl4 N O4 S2 -","- C24 H21 Cl4 N O4 S2 -","- C48 H42 Cl8 N2 O8 S4 -","2","1","","Gustavo P. Silveira; Joseph P. Marino","Enantioselective Synthesis of Dihydro-1H-benzindoles","Journal of Organic Chemistry","2013","78","","3379","3383","10.1021/jo302798j","","","0.71073","MoKα","","0.0325","0.0285","","","0.0605","0.0619","","","","","","1.048","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028078","8.5719","0.0005","14.7555","0.0009","15.693","0.0009","90","","90","","90","","1984.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 S2 -","- C20 H24 N2 O4 S2 -","- C80 H96 N8 O16 S8 -","4","1","","Gustavo P. Silveira; Joseph P. Marino","Enantioselective Synthesis of Dihydro-1H-benzindoles","Journal of Organic Chemistry","2013","78","","3379","3383","10.1021/jo302798j","","","0.71073","MoKα","","0.0257","0.0238","","","0.0619","0.063","","","","","","1.046","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028079","8.9037","0.0003","10.0646","0.0003","24.9129","0.0007","90","","90","","90","","2232.5","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H21 Cl2 N O3 S2 -","- C22 H21 Cl2 N O3 S2 -","- C88 H84 Cl8 N4 O12 S8 -","4","1","","Gustavo P. Silveira; Joseph P. Marino","Enantioselective Synthesis of Dihydro-1H-benzindoles","Journal of Organic Chemistry","2013","78","","3379","3383","10.1021/jo302798j","","","0.71073","MoKα","","0.0213","0.0205","","","0.052","0.0525","","","","","","1.058","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028080","8.2706","0.0004","11.4435","0.0005","16.388","0.0009","90","","90","","90","","1551.04","0.13","291","2","291","2","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","(3aS,4aS,5R,8S,8aR,9R,9aS)-3a-allyl-9-hydroxy-2,2-dimethyl-4a,5,8,8a,9,9a- hexahydro-5,8-methanonaphtho[2,3-d][1,3]dioxol-4(3aH)-one","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Goverdhan Mehta; Nagi Reddy Modugu","Concise Approach to the Carbocyclic Core of the Naturally Occurring Sphingomyelinase Inhibitor Scyphostatin","Journal of Organic Chemistry","2013","78","","3367","3373","10.1021/jo3028196","","","0.71073","MoKa","","0.0398","0.0339","","","0.0762","0.0795","","","","","","1.079","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028081","28.465","0.014","16.248","0.003","23.16","0.03","90","","122.23","0.05","90","","9061","14","293","2","293","2","","","","","","","see text","3","C 1 2/c 1","-C 2yc","15","","(1S*,2R*,4R*,8R*,9S*,10S*,11R*)-9-hydroxy-6,6-dimethyl-8-(prop-2-en-1-yl)- 5,7-dioxatetracyclo[9.2.1.0^2,10^.0^4,8^]tetradec-12-en-3-one","","- C17 H22 O4 -","- C17 H22 O4 -","- C408 H528 O96 -","24","3","","Goverdhan Mehta; Nagi Reddy Modugu","Concise Approach to the Carbocyclic Core of the Naturally Occurring Sphingomyelinase Inhibitor Scyphostatin","Journal of Organic Chemistry","2013","78","","3367","3373","10.1021/jo3028196","","","0.7107","MoKα","","0.2131","0.0948","","","0.2048","0.2776","","","","","","0.986","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028082","8.5453","0.0007","12.4572","0.0011","19.0765","0.0016","95.307","0.002","98.94","0.002","96.754","0.002","1979.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C108 H80 N8 O4 -","4","2","","Lehao Huang; Qian Li; Chen Wang; Chenze Qi","Palladium(II)-Catalyzed Regioselective Arylation of Naphthylamides with Aryl Iodides Utilizing a Quinolinamide Bidentate System","Journal of Organic Chemistry","2013","78","","3030","3038","10.1021/jo400017v","","","0.71073","MoKα","","0.046","0.0376","","","0.1269","0.1495","","","","","","1.049","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028083","15.0385","0.0004","15.1515","0.0004","20.2535","0.0005","97.366","0.001","101.544","0.001","100.972","0.001","4372","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H56.5 N2 O4.25 S2 -","- C53 H56.5 N2 O4.25 S2 -","- C212 H226 N8 O17 S8 -","4","2","","Anna G. Slater; E. Stephen Davies; Stephen P. Argent; William Lewis; Alexander J. Blake; Jonathan McMaster; Neil R. Champness","Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties","Journal of Organic Chemistry","2013","78","","2853","2862","10.1021/jo400026r","","","0.71073","MoKα","","0.0627","0.0416","","","0.1","0.112","","","","","","1.01","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028084","19.622","0.001","20.8987","0.0007","16.5571","0.001","90","","113.399","0.006","90","","6231.3","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H82 N2 O8 S2 -","- C74 H82 N2 O8 S2 -","- C296 H328 N8 O32 S8 -","4","1","","Anna G. Slater; E. Stephen Davies; Stephen P. Argent; William Lewis; Alexander J. Blake; Jonathan McMaster; Neil R. Champness","Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties","Journal of Organic Chemistry","2013","78","","2853","2862","10.1021/jo400026r","","","1.54184","CuKα","","0.154","0.112","","","0.255","0.281","","","","","","1.11","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028085","20.9121","0.0006","13.3093","0.0003","24.3484","0.0006","90","","107.082","0.003","90","","6477.8","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H83 Cl3 N2 O8 S2 -","- C75 H83 Cl3 N2 O8 S2 -","- C300 H332 Cl12 N8 O32 S8 -","4","1","","Anna G. Slater; E. Stephen Davies; Stephen P. Argent; William Lewis; Alexander J. Blake; Jonathan McMaster; Neil R. Champness","Bis-thioether-Substituted Perylene Diimides: Structural, Electrochemical, and Spectroelectrochemical Properties","Journal of Organic Chemistry","2013","78","","2853","2862","10.1021/jo400026r","","","1.5418","CuKα","","0.119","0.0947","","","0.244","0.261","","","","","","1.08","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028086","9.4776","0.0006","10.8233","0.0007","19.093","0.002","90","","97.824","0.007","90","","1940.3","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H24 Br N O4 S -","- C18 H24 Br N O4 S -","- C72 H96 Br4 N4 O16 S4 -","4","2","","Kimberly Geoghegan; Paul Evans","Double Reduction of Cyclic Aromatic Sulfonamides: Synthesis of (+)-Mesembrine and (+)-Mesembranol","Journal of Organic Chemistry","2013","78","","3410","3415","10.1021/jo4000306","","","0.71073","MoKα","","0.0583","0.0477","","","0.1127","0.1197","","","","","","1.053","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028087","11.441","0.0005","21.855","0.001","18.5306","0.0008","90","","126.626","0.003","90","","3718.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N4 O3 -","- C48 H40 N4 O3 -","- C192 H160 N16 O12 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0987","0.0874","","","0.2245","0.2324","","","","","","1.082","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028088","23.6921","0.0005","13.748","0.0003","25.7494","0.0008","90","","117.234","0.001","90","","7457.3","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48.5 H38.5 N4.5 O4 -","- C48.5 H38.5 N4.5 O4 -","- C388 H308 N36 O32 -","8","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0607","0.0516","","","0.1466","0.1551","","","","","","0.967","","","","has coordinates","271475","2021-12-16","11:44:13",""
"4028089","12.5921","0.0004","12.9701","0.0004","14.85","0.0005","111.992","0.001","96.561","0.001","97.727","0.001","2192.37","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H38 N4 O5 Zn -","- C47 H38 N4 O5 Zn -","- C94 H76 N8 O10 Zn2 -","2","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0645","0.0629","","","0.1734","0.1748","","","","","","0.968","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028090","9.4468","0.0002","13.2846","0.0003","30.4999","0.0007","90","","90","","90","","3827.64","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C47 H40 N4 O4 -","- C47 H40 N4 O4 -","- C188 H160 N16 O16 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0876","0.0808","","","0.2144","0.2213","","","","","","0.945","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028091","20.5804","0.0004","9.537","0.0002","19.1964","0.0004","90","","91.8","0.001","90","","3765.92","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H40 N4 O4 -","- C47 H40 N4 O4 -","- C188 H160 N16 O16 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.097","0.0814","","","0.2308","0.2549","","","","","","0.894","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028092","20.332","0.0005","11.1841","0.0003","18.4019","0.0005","90","","109.587","0.001","90","","3942.36","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 N4 O3 -","- C49 H44 N4 O3 -","- C196 H176 N16 O12 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","Oxazolochlorins. 9.meso-Tetraphenyl-2-oxabacteriochlorins and meso-Tetraphenyl-2,12/13-dioxabacteriochlorins(1)","Journal of Organic Chemistry","2013","78","","2840","2852","10.1021/jo400031r","","","1.54178","CuKα","","0.0904","0.0825","","","0.2563","0.2674","","","","","","1.037","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028093","29.031","0.002","6.2194","0.0003","13.9536","0.0007","90","","110.789","0.007","90","","2355.4","0.3","135","0.1","135","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25.5 H30 Cl N3 O4 -","- C25.5 H30 Cl N3 O4 -","- C102 H120 Cl4 N12 O16 -","4","1","","Liang Xia; Sheng Li; Ruijiao Chen; Kai Liu; Xiaochuan Chen","Catalytic Ugi-Type Condensation of α-Isocyanoacetamide and Chiral Cyclic Imine: Access to Asymmetric Construction of Several Heterocycles","Journal of Organic Chemistry","2013","78","","3120","3131","10.1021/jo4000702","","","0.7107","MoKα","","0.0526","0.037","","","0.0669","0.0705","","","","","","0.923","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028094","7.559","0.006","19.638","0.015","12.109","0.01","90","","90","","90","","1798","2","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","1","","Guodong Yin; Tianbing Ren; Yin Rao; Yifan Zhou; Zhexian Li; Wenming Shu; Anxin Wu","Stereoselective Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Michael Addition/Bicyclization Reaction","Journal of Organic Chemistry","2013","78","","3132","3141","10.1021/jo400081q","","","0.71073","MoKα","","0.0371","0.0319","","","0.0729","0.0767","","","","","","1.054","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4028095","11.5257","0.0018","9.4236","0.0015","17.54","0.003","90","","107.883","0.002","90","","1813","0.5","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 O3 S -","- C21 H20 O3 S -","- C84 H80 O12 S4 -","4","1","","Guodong Yin; Tianbing Ren; Yin Rao; Yifan Zhou; Zhexian Li; Wenming Shu; Anxin Wu","Stereoselective Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Michael Addition/Bicyclization Reaction","Journal of Organic Chemistry","2013","78","","3132","3141","10.1021/jo400081q","","","0.71073","MoKα","","0.0573","0.0509","","","0.1521","0.165","","","","","","1.094","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028096","14.211","0.0007","8.2737","0.0003","19.509","0.001","90","","109.519","0.005","90","","2162","0.19","120","1","120","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C20 H26 O10 -","- C20 H26 O10 -","- C80 H104 O40 -","4","2","","Kavirayani R. Prasad; Phaneendra Gutala","Total Synthesis and Determination of the Absolute Configuration of 5,6-Dihydro-α-pyrone Natural Product Synargentolide B","Journal of Organic Chemistry","2013","78","","3313","3322","10.1021/jo400083v","","x-ray","0.71073","MoKα","","0.0677","0.0507","","","0.1065","0.119","","","","","","1.04","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028097","8.0198","0.0008","12.5842","0.0013","18.2924","0.0019","88.317","0.003","80.352","0.003","72.342","0.003","1733.8","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 N2 O2 Si2 -","- C36 H48 N2 O2 Si2 -","- C72 H96 N4 O4 Si4 -","2","1","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.1061","0.0645","","","0.1406","0.1656","","","","","","1.028","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028098","8.1824","0.0007","13.9297","0.0012","15.7861","0.0014","71.224","0.002","77.184","0.002","77.313","0.002","1639.5","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H46 N2 O2 Si2 -","- C32 H46 N2 O2 Si2 -","- C64 H92 N4 O4 Si4 -","2","1","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.0606","0.0483","","","0.1308","0.1403","","","","","","1.047","","","","has coordinates","178459","2020-10-21","18:00:00",""
"4028099","31.2074","0.0015","8.2678","0.0004","28.3232","0.0013","90","","107.021","0.001","90","","6987.8","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H48 N2 O2 Si2 -","- C36 H48 N2 O2 Si2 -","- C288 H384 N16 O16 Si16 -","8","1","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.0975","0.0556","","","0.1431","0.1651","","","","","","1.031","","","","has coordinates,has disorder","178459","2020-10-21","18:00:00",""
"4028100","34.075","0.006","15.776","0.003","14.143","0.002","90","","100.877","0.004","90","","7466","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 N2 O2 Si2 -","- C40 H50 N2 O2 Si2 -","- C320 H400 N16 O16 Si16 -","8","1","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.0619","0.0453","","","0.121","0.1333","","","","","","1.034","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028101","8.4932","0.0012","17.857","0.003","25.874","0.004","87.374","0.004","81.836","0.004","78.822","0.004","3810","1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H50 N2 O2 Si2 -","- C40 H50 N2 O2 Si2 -","- C160 H200 N8 O8 Si8 -","4","2","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.1447","0.1054","","","0.2381","0.2597","","","","","","1.115","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028102","32","0.005","7.9673","0.0011","34.764","0.004","90","","113.32","0.004","90","","8139","2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 N2 O2 Si2 -","- C44 H52 N2 O2 Si2 -","- C352 H416 N16 O16 Si16 -","8","2","","Manuel Schaffroth; Benjamin D. Lindner; Vladislav Vasilenko; Frank Rominger; U. H. F. Bunz","Alkynylated Diazadioxaacenes: Syntheses and Properties","Journal of Organic Chemistry","2013","78","","3142","3150","10.1021/jo400092r","","","0.71073","MoKα","","0.1337","0.0643","","","0.1467","0.177","","","","","","1.001","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028103","5.743","0.005","9.43","0.005","18.057","0.005","90.784","0.005","94.855","0.005","106.042","0.005","935.7","1","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 N4 -","- C22 H20 N4 -","- C44 H40 N8 -","2","1","","Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives","Journal of Organic Chemistry","2013","78","","3222","3234","10.1021/jo400116j","","","0.71069","MoKα","","0.0589","0.0408","","","0.1261","0.1503","","","","","","1.021","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028104","6.149","0.005","7.323","0.005","40.953","0.005","90","0.005","90.751","0.005","90","0.005","1844","2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N4 -","- C22 H20 N4 -","- C88 H80 N16 -","4","1","","Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives","Journal of Organic Chemistry","2013","78","","3222","3234","10.1021/jo400116j","","","0.71069","MoKα","","0.0795","0.0475","","","0.129","0.1608","","","","","","0.995","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028105","6.439","0.005","7.222","0.005","39.313","0.005","90","0.005","90.207","0.005","90","0.005","1828.1","1.9","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N5 -","- C21 H19 N5 -","- C84 H76 N20 -","4","1","","Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives","Journal of Organic Chemistry","2013","78","","3222","3234","10.1021/jo400116j","","","0.71069","MoKα","","0.1059","0.0725","","","0.1945","0.232","","","","","","1.172","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028106","12.286","0.005","13.694","0.005","15.58","0.005","90","0.005","110.838","0.005","90","0.005","2449.8","1.6","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N3 -","- C31 H25 N3 -","- C124 H100 N12 -","4","1","","Zheng Zheng; Zhipeng Yu; Mingdi Yang; Feng Jin; Qiong Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Substituent Group Variations Directing the Molecular Packing, Electronic Structure, and Aggregation-Induced Emission Property of Isophorone Derivatives","Journal of Organic Chemistry","2013","78","","3222","3234","10.1021/jo400116j","","","0.71069","MoKα","","0.0621","0.04","","","0.1253","0.1501","","","","","","1.014","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028107","9.0919","0.0003","12.6482","0.0004","11.9258","0.0004","90","","94.663","0.002","90","","1366.88","0.08","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N O3 S -","- C33 H31 N O3 S -","- C66 H62 N2 O6 S2 -","2","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0469","0.04","","","0.102","0.1136","","","","","","1.076","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028108","9.1148","0.0003","10.8578","0.0004","15.6645","0.0006","90","","106.397","0.002","90","","1487.21","0.09","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H33 N O4 S -","- C35 H33 N O4 S -","- C70 H66 N2 O8 S2 -","2","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0408","0.0359","","","0.0928","0.1028","","","","","","1.097","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028109","8.4185","0.0001","10.1636","0.0001","10.2129","0.0001","94.193","0.001","110.298","0.001","113.931","0.001","725.441","0.017","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C35 H33 N O4 S -","- C35 H33 N O4 S -","- C35 H33 N O4 S -","1","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0385","0.0351","","","0.0925","0.0981","","","","","","1.055","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028110","10.8387","0.001","12.1976","0.001","13.2644","0.0011","107.99","0.006","92.021","0.006","92.084","0.006","1664.8","0.3","103","2","103","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H39 N O4 S -","- C38 H39 N O4 S -","- C76 H78 N2 O8 S2 -","2","2","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.1261","0.0897","","","0.2183","0.2476","","","","","","1.046","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028111","10.0149","0.0008","17.024","0.0013","17.8106","0.0011","90","","90","","90","","3036.6","0.4","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O4 S -","- C34 H37 N O4 S -","- C136 H148 N4 O16 S4 -","4","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0525","0.0414","","","0.1005","0.1111","","","","","","1.09","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028112","13.044","0.0007","9.9527","0.0005","13.2043","0.0007","90","","114.231","0.002","90","","1563.2","0.14","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H39 N O4 S -","- C35 H39 N O4 S -","- C70 H78 N2 O8 S2 -","2","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0801","0.0506","","","0.1118","0.1359","","","","","","1.07","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028113","15.6706","0.0004","11.6448","0.0003","18.6587","0.0004","90","","90","","90","","3404.86","0.14","103","2","103","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C37 H45 N O5 S Si -","- C37 H45 N O5 S Si -","- C148 H180 N4 O20 S4 Si4 -","4","1","","Weidong Rao; Sally; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,7-Enyne Esters to Structurally Diverse cis-1,2,3,6-Tetrahydropyridin-4-yl Ketones","Journal of Organic Chemistry","2013","78","","3183","3195","10.1021/jo400121j","","","0.71073","MoKα","","0.0627","0.0465","","","0.106","0.1261","","","","","","1.04","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028114","8.5258","0.0017","34.215","0.007","13.071","0.003","90","","107.06","0.03","90","","3645.2","1.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H98 N2 O20 -","- C80 H98 N2 O20 -","- C160 H196 N4 O40 -","2","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.1102","0.096","","","0.1538","0.1594","","","","","","1.292","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028115","13.7223","0.0014","14.0686","0.0014","14.395","0.0014","102.491","0.002","101.542","0.002","108.119","0.002","2469.3","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H122 F12 N2 O22 P2 -","- C96 H122 F12 N2 O22 P2 -","- C96 H122 F12 N2 O22 P2 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.0959","0.0637","","","0.1683","0.1986","","","","","","1.019","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028116","14.418","0.002","15.829","0.003","15.956","0.003","88.52","0.008","83.827","0.008","65.386","0.004","3290.7","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H136 F24 N4 O20 P4 -","- C124 H136 F24 N4 O20 P4 -","- C124 H136 F24 N4 O20 P4 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.0909","0.0764","","","0.1831","0.1924","","","","","","1.08","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028117","39.83","0.008","15.198","0.003","25.284","0.005","90","","108.23","0.03","90","","14537","6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H144 F24 N4 O20 P4 -","- C128 H144 F24 N4 O20 P4 -","- C512 H576 F96 N16 O80 P16 -","4","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.1569","0.1292","","","0.325","0.3404","","","","","","1.941","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028118","14.804","0.003","17.814","0.004","25.418","0.005","76.22","0.03","78.43","0.03","80.62","0.03","6331","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H141 F28 N7 O20 P4 -","- C130 H141 F28 N7 O20 P4 -","- C260 H282 F56 N14 O40 P8 -","2","1","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.1152","0.0933","","","0.1798","0.1926","","","","","","1.174","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028119","11.819","0.004","15.066","0.005","15.443","0.005","104.587","0.003","98.719","0.003","110.301","0.004","2407.9","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H112 Cl2 F12 N2 O20 P2 -","- C100 H112 Cl2 F12 N2 O20 P2 -","- C100 H112 Cl2 F12 N2 O20 P2 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.1062","0.0845","","","0.1949","0.2113","","","","","","1.111","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028120","11.783","0.004","15.157","0.005","15.464","0.005","104.62","0.003","99.12","0.003","110.08","0.004","2416.9","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H112 Br2 F12 N2 O20 P2 -","- C100 H112 Br2 F12 N2 O20 P2 -","- C100 H112 Br2 F12 N2 O20 P2 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.0926","0.0763","","","0.1663","0.1773","","","","","","1.068","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028121","13.4033","0.0011","15.6426","0.0014","17.7463","0.0015","66.405","0.005","87.465","0.006","66.34","0.005","3092.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C112 H134 F24 N10 O20 P4 -","- C112 H134 F24 N10 O20 P4 -","- C112 H134 F24 N10 O20 P4 -","1","0.5","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","1.54186","CuKα","","0.077","0.0642","","","0.1668","0.1747","","","","","","1.079","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028122","14.8","0.003","17.228","0.003","19.16","0.004","71.4","0.03","80.78","0.03","77.61","0.03","4500","1.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H114 F12 N2 O20 P2 -","- C96 H114 F12 N2 O20 P2 -","- C192 H228 F24 N4 O40 P4 -","2","1","","Ying Han; Jing Cao; Peng-Fei Li; Qian-Shou Zong; Jian-Min Zhao; Jia-Bin Guo; Jun-Feng Xiang; Chuan-Feng Chen","Complexation of Triptycene-Derived Macrotricyclic Polyether with Paraquat Derivatives, Diquat, and a 2,7-Diazapyrenium Salt: Guest-Induced Conformational Changes of the Host","Journal of Organic Chemistry","2013","78","","3235","3242","10.1021/jo400148b","","","0.71073","MoKα","","0.2153","0.1713","","","0.3974","0.4345","","","","","","1.183","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028123","9.9911","0.0007","10.4994","0.0007","18.8049","0.0013","90","","90","","90","","1972.6","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br2 N2 O5 -","- C18 H18 Br2 N2 O5 -","- C72 H72 Br8 N8 O20 -","4","1","","Hyo-Jun Lee; Chang-Woo Cho","Cinchona-Based Primary Amine-Catalyzed Asymmetric Cascade Aza-Michael-Aldol Reactions of Enones with 2-(1H-Pyrrol-2-yl)-2-oxoacetates: Synthesis of Chiral Pyrrolizines with Multistereocenters","Journal of Organic Chemistry","2013","78","","3306","3312","10.1021/jo4001614","","","0.71073","MoKα","","0.0951","0.0415","","","0.0843","0.1268","","","","","","1.06","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028124","14.842","0.004","6.615","0.002","24.531","0.009","90","","90","","90","","2408.4","1.3","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C128 H96 O16 -","8","2","","Debkumar Nandi; Debalina Ghosh; Shih-Ji Chen; Bing-Chiuan Kuo; Nancy M. Wang; Hon Man Lee","One-Step Synthesis of Isocoumarins and 3-Benzylidenephthalides via Ligandless Pd-Catalyzed Oxidative Coupling of Benzoic Acids and Vinylarenes","Journal of Organic Chemistry","2013","78","","3445","3451","10.1021/jo400174w","","x-ray","0.71073","MoKα","","0.2255","0.0642","","","0.1037","0.144","","","","","","0.857","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028125","13.6637","0.0009","26.4984","0.0016","8.3392","0.0006","90","","90","","90","","3019.3","0.3","150","2","150","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C144 H128 O40 -","8","1","","Debkumar Nandi; Debalina Ghosh; Shih-Ji Chen; Bing-Chiuan Kuo; Nancy M. Wang; Hon Man Lee","One-Step Synthesis of Isocoumarins and 3-Benzylidenephthalides via Ligandless Pd-Catalyzed Oxidative Coupling of Benzoic Acids and Vinylarenes","Journal of Organic Chemistry","2013","78","","3445","3451","10.1021/jo400174w","","x-ray","0.71073","MoKα","","0.1703","0.0617","","","0.1335","0.1801","","","","","","0.927","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028126","12.269","0.004","12.814","0.004","11.38","0.003","90","","98.462","0.005","90","","1769.6","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N O3 -","- C20 H18 Cl N O3 -","- C80 H72 Cl4 N4 O12 -","4","1","","Xu Liu; Ning Zhang; Jiming Yang; Yongjiu Liang; Rui Zhang; Dewen Dong","Hydrogen Bond-Assisted 6π-Azaelectrocyclization of Penta-2,4-dienamides: Synthesis of Dihydropyridin-2(3H)-ones","Journal of Organic Chemistry","2013","78","","3323","3328","10.1021/jo4001959","","","0.71073","MoKα","","0.2018","0.0909","","","0.2448","0.3123","","","","","","1","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028127","22.857","0.001","7.33","0.001","23.337","0.001","90","","90","","90","","3909.9","0.6","100","2","100","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","2,9-dibutyl-3,8-dichloronaphtho[1,2-b:8,7-b']dithiophene","","- C22 H22 Cl2 S2 -","- C22 H22 Cl2 S2 -","- C176 H176 Cl16 S16 -","8","1","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","x-ray","1.54178","CuKα","","0.0751","0.0563","","","0.1627","0.1963","","","","","","1.061","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028128","6.946","0.001","7.72","0.001","9.057","0.001","90.861","0.006","89.656","0.006","98.724","0.005","479.99","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,7-dibutyl-1,6-dichloronaphtho[1,2-b:5,6-b']dithiophene","","- C11 H11 Cl S -","- C11 H11 Cl S -","- C22 H22 Cl2 S2 -","2","1","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","x-ray","1.54178","CuKα","","0.0313","0.0273","","","0.0716","0.0741","","","","","","1.081","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028129","5.291","0.001","7.714","0.001","12.239","0.001","99.618","0.007","94.426","0.007","102.384","0.008","477.73","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,7-dibutyl-3,8-dichloronaphtho[2,1-b:6,5-b']dithiophene","","- C11 H11 Cl S -","- C11 H11 Cl S -","- C22 H22 Cl2 S2 -","2","1","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","","1.54178","CuKα","","0.0573","0.0406","","","0.097","0.1053","","","","","","1.046","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028130","9.525","0.001","11.52","0.001","13.591","0.001","81.463","0.004","87.681","0.005","84.909","0.005","1468.4","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,9-dibutyl-3,8-bis(4-methoxyphenyl)naphtho[1,2-b:8,7-b']dithiophene","","- C36 H36 O2 S2 -","- C36 H36 O2 S2 -","- C72 H72 O4 S4 -","2","1","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","","1.54178","CuKα","","0.0772","0.0464","","","0.1061","0.1231","","","","","","1.032","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028131","10.689","0.001","14.404","0.001","19.076","0.001","98.344","0.003","90.87","0.003","91.061","0.003","2905","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","2,7-dibutyl-1,6-bis(4-methoxyphenyl)naphtho[1,2-b:5,6-b']dithiophene","","- C36 H36 O2 S2 -","- C36 H36 O2 S2 -","- C144 H144 O8 S8 -","4","2","","Caterina Viglianisi; Lucia Becucci; Cristina Faggi; Sara Piantini; Piero Procacci; Stefano Menichetti","Regioselective Electrophilic Access to Naphtho[1,2-b:8,7-b']- and -[1,2-b:5,6-b']dithiophenes","Journal of Organic Chemistry","2013","78","","3496","3502","10.1021/jo400205j","","","1.54178","CuKα","","0.0757","0.0505","","","0.1198","0.136","","","","","","1.009","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028132","10.6882","0.0002","16.7476","0.0004","18.497","0.0013","90","","90","","90","","3311","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C160 H144 N16 O24 -","8","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54187","CuKα","","0.1284","0.0847","","","0.2094","0.2388","","","","","","1.843","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028133","11.9745","0.0004","7.6299","0.0003","18.3877","0.0012","90","","93.153","0.007","90","","1677.44","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54187","CuKα","","0.1232","0.0797","","","0.1913","0.2391","","","","","","1.239","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028134","11.6836","0.0002","7.5379","0.0001","21.9834","0.0015","90","","99.688","0.007","90","","1908.46","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54187","CuKα","","0.0616","0.0478","","","0.1468","0.1735","","","","","","1.059","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028135","10.199","","22.476","","8.841","","90","","107.61","","90","","1931.67","","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br2 N2 O3 -","- C20 H16 Br2 N2 O3 -","- C80 H64 Br8 N8 O12 -","4","1","","Hu Chen; Zhaofeng Wang; Yingnan Zhang; Yong Huang","Highly trans-Stereoselective Synthesis of Bicyclic Isoxazolidines via Copper-Catalyzed Triple Cascade Catalysis","Journal of Organic Chemistry","2013","78","","3503","3509","10.1021/jo400215e","","","1.54178","CuKα","","0.0834","0.0639","","","0.1829","0.2189","","","","","","1.538","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028136","12.9118","0.0008","10.1696","0.0007","17.7957","0.0012","90","","92.797","0.001","90","","2333.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 N3 O3 S -","- C27 H27 N3 O3 S -","- C108 H108 N12 O12 S4 -","4","1","","Andria M. Panagopoulos; Doug Steinman; Alexandra Goncharenko; Kyle Geary; Carlene Schleisman; Elizabeth Spaargaren; Matthias Zeller; Daniel P. Becker","Apparent Alkyl Transfer and Phenazine Formation via an Aryne Intermediate","Journal of Organic Chemistry","2013","78","","3532","3540","10.1021/jo302795w","","","0.71073","MoKα","","0.0527","0.0402","","","0.0988","0.1069","","","","","","1.042","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028137","13.439","0.003","10.26","0.002","13.653","0.003","90","","115.905","0.003","90","","1693.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N3 -","- C20 H20 Cl N3 -","- C80 H80 Cl4 N12 -","4","1","","Andria M. Panagopoulos; Doug Steinman; Alexandra Goncharenko; Kyle Geary; Carlene Schleisman; Elizabeth Spaargaren; Matthias Zeller; Daniel P. Becker","Apparent Alkyl Transfer and Phenazine Formation via an Aryne Intermediate","Journal of Organic Chemistry","2013","78","","3532","3540","10.1021/jo302795w","","","0.71073","MoKα","","0.1079","0.0586","","","0.1191","0.1383","","","","","","1.03","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028138","12.8268","0.0014","16.8384","0.0018","19.527","0.002","70.017","0.006","73.553","0.006","74.051","0.006","3726.5","0.7","160","2","160","2","","","","","","","","5","P -1","-P 1","2","CALIXARENE","","","- C82 H84 Cl6 N6 O4 -","- C82 H84 Cl6 N6 O4 -","- C164 H168 Cl12 N12 O8 -","2","1","","V. V. Sreenivasu Mummidivarapu; Vijaya Kumar Hinge; Khatija Tabbasum; Rajesh G. Gonnade; Chebrolu P. Rao","Triazole-Linked Anthracenyl-Appended Calix[4]arene Conjugate As Receptor for Co(II): Synthesis, Spectroscopy, Microscopy, and Computational Studies","Journal of Organic Chemistry","2013","78","","3570","3576","10.1021/jo400038x","","","0.71073","MoKα","","0.148","0.1034","","","0.2169","0.2368","","","","","","1.129","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028139","5.5387","0.0009","9.1358","0.0014","34.448","0.005","90","","90.723","0.002","90","","1742.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N O2 -","- C21 H20 Cl N O2 -","- C84 H80 Cl4 N4 O8 -","4","1","","Thomas O. Painter; Jonathon R. Bunn; Frank J. Schoenen; Justin T. Douglas; Victor W. Day; Conrad Santini","Skeletal Diversification via Heteroatom Linkage Control: Preparation of Bicyclic and Spirocyclic Scaffolds from N-Substituted Homopropargyl Alcohols","Journal of Organic Chemistry","2013","78","","3720","3730","10.1021/jo400077m","","","1.54178","CuKα","","0.0344","0.0343","","","0.0845","0.0845","","","","","","1.034","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028140","8.3288","0.0017","9.3506","0.0019","33.517","0.007","90","","90","","90","","2610.3","0.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 F4 N3 O8 P S -","- C23 H28 F4 N3 O8 P S -","- C92 H112 F16 N12 O32 P4 S4 -","4","1","","Jonathan T. Reeves; Daniel R. Fandrick; Zhulin Tan; Jinhua J. Song; Sonia Rodriguez; Bo Qu; Soojin Kim; Oliver Niemeier; Zhibin Li; Denis Byrne; Scot Campbell; Ashish Chitroda; Phil DeCroos; Thomas Fachinger; Victor Fuchs; Nina C. Gonnella; Nelu Grinberg; Nizar Haddad; Burkhard Jäger; Heewon Lee; Jon C. Lorenz; Shengli Ma; Bikshandarkoil A. Narayanan; Larry J. Nummy; Ajith Premasiri; Frank Roschangar; Max Sarvestani; Sherry Shen; Earl Spinelli; Xiufeng Sun; Richard J. Varsolona; Nathan Yee; Michael Brenner; Chris H. Senanayake","Development of a Large Scale Asymmetric Synthesis of the Glucocorticoid Agonist BI 653048 BS H3PO4","Journal of Organic Chemistry","2013","78","","3616","3635","10.1021/jo400079z","","","1.54178","CuKα","","0.0358","0.0343","","","0.0802","0.0816","","","","","","1.107","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028141","7.2117","0.001","10.159","0.0015","16.885","0.002","90","","90","","90","","1237.1","0.3","90","0.5","90","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0314","0.0297","","","0.0839","0.0852","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028142","12.793","0.002","7.5861","0.001","12.616","0.002","90","","94.795","0.005","90","","1220.1","0.3","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0519","0.0413","","","0.1059","0.1122","","","","","","1.044","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028143","8.8087","0.0009","9.1805","0.001","16.007","0.002","90","","102.879","0.005","90","","1261.9","0.2","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0482","0.0401","","","0.1138","0.1208","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028144","11.0615","0.0015","8.4714","0.001","13.82","0.002","90","","108.144","0.005","90","","1230.6","0.3","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0476","0.0386","","","0.113","0.12","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028145","8.774","0.001","8.8629","0.001","16.001","0.002","90","","94.81","0.005","90","","1239.9","0.3","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C56 H48 N8 O12 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0464","0.0392","","","0.1137","0.1203","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028146","17.454","0.005","5.917","0.002","13.841","0.005","90","","90","","90","","1429.4","0.8","90","0.5","90","0.5","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0418","0.0376","","","0.0932","0.0963","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028147","16.783","0.002","16.484","0.003","8.9999","0.001","90","","90","","90","","2489.8","0.6","90","0.5","90","0.5","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H12 Cl N O -","- C14 H12 Cl N O -","- C112 H96 Cl8 N8 O8 -","8","2","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0359","0.0308","","","0.0777","0.0806","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028148","14.187","0.004","7.762","0.002","22.998","0.006","90","","103.422","0.015","90","","2463.4","1.1","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","2","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.077","0.056","","","0.1411","0.154","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028149","8.8582","0.0016","8.4797","0.0015","32.907","0.006","90","","90.782","0.003","90","","2471.6","0.8","180","0.5","180","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C112 H96 N16 O24 -","8","2","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.1094","0.0505","","","0.0944","0.1144","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028150","8.0955","0.001","5.7255","0.0006","14.7233","0.0015","90","","90.723","0.005","90","","682.38","0.13","90","0.5","90","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","0.71073","MoKα","","0.0344","0.0327","","","0.0909","0.0934","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028151","6.063","0.002","25.888","0.009","23.133","0.007","90","","95.663","0.01","90","","3613","2","90","0.5","90","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C156 H180 N12 O24 -","12","3","","Debra D. Dolliver; Bijay T. Bhattarai; Arjun Pandey; Megan L. Lanier; Amber S. Bordelon; Sarju Adhikari; Jordan A. Dinser; Patrick F. Flowers; Veronica S. Wills; Caroline L. Schneider; Kevin H. Shaughnessy; Jane N. Moore; Steven M. Raders; Timothy S. Snowden; Artie S. McKim; Frank R. Fronczek","Stereospecific Suzuki, Sonogashira, and Negishi Coupling Reactions of N-Alkoxyimidoyl Iodides and Bromides","Journal of Organic Chemistry","2013","78","","3676","3687","10.1021/jo400179u","","","1.54184","CuKα","","0.1132","0.0528","","","0.097","0.1171","","","","","","0.992","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028152","14.9885","0.0005","7.1279","0.0002","16.1273","0.0005","90","","96.305","0.002","90","","1712.56","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 F2 N O6 P -","- C15 H18 F2 N O6 P -","- C60 H72 F8 N4 O24 P4 -","4","1","","Romana Pajkert; Gerd-Volker Röschenthaler","Synthesis of (α,α-Difluoropropargyl)phosphonates via Aldehyde-to-Alkyne Homologation","Journal of Organic Chemistry","2013","78","","3697","3708","10.1021/jo400198a","","","0.71073","MoKα","","0.0466","0.0381","","","0.1018","0.1081","","","","","","1.021","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028153","19.4022","0.0008","8.942","0.0004","14.2378","0.0006","90","","93.347","0.001","90","","2465.97","0.18","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H31 N O3 S Si -","- C26 H31 N O3 S Si -","- C104 H124 N4 O12 S4 Si4 -","4","1","","Francois Grillet; Kay M. Brummond","Enantioselective Synthesis of 5,7-Bicyclic Ring Systems from Axially Chiral Allenes Using a Rh(I)-Catalyzed Cyclocarbonylation Reaction","Journal of Organic Chemistry","2013","78","","3737","3754","10.1021/jo4002432","","","1.54178","CuKα","","0.1345","0.134","","","0.3943","0.3947","","","","","","4.123","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028154","20.059","0.0005","34.2353","0.0008","9.2333","0.0002","90","","90","","90","","6340.7","0.3","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C272 H304 N16 O48 S16 -","16","1","","Francois Grillet; Kay M. Brummond","Enantioselective Synthesis of 5,7-Bicyclic Ring Systems from Axially Chiral Allenes Using a Rh(I)-Catalyzed Cyclocarbonylation Reaction","Journal of Organic Chemistry","2013","78","","3737","3754","10.1021/jo4002432","","","1.54178","CuKα","","0.0394","0.0379","","","0.0948","0.0967","","","","","","1.104","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028155","23.8895","0.0015","9.8805","0.0006","30.8596","0.0019","90","","90","","90","","7284.1","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H19 N O -","- C25 H19 N O -","- C400 H304 N16 O16 -","16","2","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0366","0.0307","","","0.0771","0.0818","","","","","","1.03","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028156","12.5171","0.0003","9.7324","0.0002","17.7685","0.0004","90","","101.031","0.001","90","","2124.59","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0316","0.0297","","","0.0738","0.0752","","","","","","1.053","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028157","8.106","0.0002","5.947","0.0002","19.389","0.0005","90","","101.38","0.001","90","","916.3","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N2 O -","- C25 H20 N2 O -","- C50 H40 N4 O2 -","2","1","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0275","0.0272","","","0.0725","0.0728","","","","","","1.057","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028158","9.7537","0.0003","9.8726","0.0003","11.2156","0.0003","74.131","0.001","81.614","0.001","61.63","0.002","913.91","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N O -","- C26 H21 N O -","- C52 H42 N2 O2 -","2","1","","Sandeep N. Raikar; Helena C. Malinakova","Divergent Reaction Pathways of Homologous and Isosteric Propargyl Amides in Sequential Ru/Pd-Catalyzed Annulations for the Synthesis of Heterocycles","Journal of Organic Chemistry","2013","78","","3832","3846","10.1021/jo400246d","","","1.54178","CuKα","","0.0666","0.0592","","","0.1776","0.1828","","","","","","1.135","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028159","7.5759","0.0003","6.6953","0.0003","19.3769","0.001","90","","96.532","0.005","90","","976.47","0.08","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N5 -","- C11 H13 N5 -","- C44 H52 N20 -","4","0.5","","Joanna V. Geden; Alpa K. Pancholi; Michael Shipman","Palladium-Catalyzed Multicomponent Synthesis of 2-Aryl-2-imidazolines from Aryl Halides and Diamines","Journal of Organic Chemistry","2013","78","","4158","4164","10.1021/jo400252n","","","0.71073","MoKα","","0.0786","0.064","","","0.1586","0.1701","","","","","","1.105","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028160","6.9339","0.0007","7.4506","0.0007","12.9466","0.0013","90","","90.3446","0.0013","90","","668.83","0.11","296.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C28 H32 O12 -","2","1","","Fumiya Urabe; Shunsuke Nagashima; Keisuke Takahashi; Jun Ishihara; Susumi Hatakeyama","Total Synthesis of (-)-Cinatrin C1 Based on an In(OTf)3-Catalyzed Conia-Ene Reaction","Journal of Organic Chemistry","2013","78","","3847","3857","10.1021/jo400263w","","","0.7107","MoKα","","","0.0346","","","","0.0871","","","","","","0.896","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028161","13.0314","0.0003","19.7442","0.0006","13.2272","0.0003","90","","116.922","0.001","90","","3034.45","0.14","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H86 O10 S Si8 -","- C36 H86 O10 S Si8 -","- C72 H172 O20 S2 Si16 -","2","1","","Xiaojun Zeng; Raymond Smith; Xiangming Zhu","Synthesis of Thioglycoside Analogues of Maradolipid","Journal of Organic Chemistry","2013","78","","4165","4170","10.1021/jo400274s","","","0.71073","MoKα","","0.1575","0.099","","","0.2428","0.2589","","","","","","1.682","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028162","11.5576","0.0003","7.9815","0.0002","20.4407","0.0004","90","","105.625","0.002","90","","1815.91","0.08","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","4-Diethoxyphosphinyl-5-trifluoromethyl-1- (4-nitrophenyl)pyrrolidin-2-one","","- C15 H18 F3 N2 O6 P -","- C15 H18 F3 N2 O6 P -","- C60 H72 F12 N8 O24 P4 -","4","1","","Concepción Alonso; María González; María Fuertes; Gloria Rubiales; Jose María Ezpeleta; Francisco Palacios","Synthesis of Fluorinated β-Aminophosphonates and γ-Lactams","Journal of Organic Chemistry","2013","78","","3858","3866","10.1021/jo400281e","","x-ray","1.54184","CuKα","","0.0371","0.0301","","","0.0796","0.0855","","","","","","1.019","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028163","11.6857","0.0006","9.9337","0.0004","18.5976","0.0012","90","","90.895","0.006","90","","2158.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ethyl 3-diethoxyphosphinyl-5,5,5-trifluoro-4- (4-tolylamino)pentanoate","","- C18 H27 F3 N O5 P -","- C18 H27 F3 N O5 P -","- C72 H108 F12 N4 O20 P4 -","4","1","","Concepción Alonso; María González; María Fuertes; Gloria Rubiales; Jose María Ezpeleta; Francisco Palacios","Synthesis of Fluorinated β-Aminophosphonates and γ-Lactams","Journal of Organic Chemistry","2013","78","","3858","3866","10.1021/jo400281e","","","1.54184","CuKα","","0.0397","0.0362","","","0.094","0.0965","","","","","","1.038","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028164","9.493","0.005","13.546","0.005","30.223","0.005","90","","95.322","0.005","90","","3870","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O4 S -","- C22 H21 N O4 S -","- C176 H168 N8 O32 S8 -","8","2","","Manas K. Ghorai; Y. Nanaji","Synthetic Route to Chiral Indolines via Ring-Opening/C-N Cyclization of Activated 2-Haloarylaziridines","Journal of Organic Chemistry","2013","78","","3867","3878","10.1021/jo400287a","","","0.71073","MoKα","","0.0788","0.0539","","","0.1336","0.1735","","","","","","1.095","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028165","12.504","0.005","11.315","0.005","13.623","0.005","90","0.005","105.513","0.005","90","0.005","1857.2","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl F N2 O2 S -","- C21 H18 Cl F N2 O2 S -","- C84 H72 Cl4 F4 N8 O8 S4 -","4","1","","Manas K. Ghorai; Y. Nanaji","Synthetic Route to Chiral Indolines via Ring-Opening/C-N Cyclization of Activated 2-Haloarylaziridines","Journal of Organic Chemistry","2013","78","","3867","3878","10.1021/jo400287a","","","0.71073","MoKα","","0.0921","0.0593","","","0.1549","0.2129","","","","","","1.17","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028166","8.161","0.005","9.101","0.005","25.376","0.005","90","0.005","90.125","0.005","90","0.005","1884.8","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O2 S2 -","- C22 H21 N O2 S2 -","- C88 H84 N4 O8 S8 -","4","1","","Manas K. Ghorai; Y. Nanaji","Synthetic Route to Chiral Indolines via Ring-Opening/C-N Cyclization of Activated 2-Haloarylaziridines","Journal of Organic Chemistry","2013","78","","3867","3878","10.1021/jo400287a","","","0.71073","MoKα","","0.0591","0.049","","","0.1268","0.1362","","","","","","1.057","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028167","9.679","0.006","9.166","0.005","16.543","0.01","90","","98.455","0.015","90","","1451.7","1.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C68 H60 N4 O16 -","4","2","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","1.54178","CuKα","","0.0875","0.0766","","","0.1993","0.23","","","","","","0.954","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028168","28.023","0.013","5.984","0.003","18.353","0.009","90","","122.001","0.009","90","","2610","2","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","1.54187","CuKα","","","0.065","","","","0.1676","","","","","","1.083","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028169","5.954","0.017","8.03","0.03","15.54","0.04","90","","96.65","0.04","90","","738","4","125","","125","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Br N O2 -","- C16 H14 Br N O2 -","- C32 H28 Br2 N2 O4 -","2","1","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","0.71075","MoKα","","","0.055","","","","0.1175","","","","","","0.927","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028170","6.379","0.002","13.342","0.005","15.871","0.005","90","","90","","90","","1350.8","0.8","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Br N O2 -","- C15 H12 Br N O2 -","- C60 H48 Br4 N4 O8 -","4","1","","James Douglas; James E. Taylor; Gwydion Churchill; Alexandra M. Z. Slawin; Andrew D. Smith","NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes","Journal of Organic Chemistry","2013","78","","3925","3938","10.1021/jo4003079","","","0.71075","MoKα","","","0.0453","","","","0.1088","","","","","","1.039","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028171","6.054","0.0013","15.744","0.003","18.136","0.004","90","","90","","90","","1728.6","0.6","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O S -","- C19 H23 N O S -","- C76 H92 N4 O4 S4 -","4","1","","Suresh Pindi; Jianbin Wu; Guigen Li","Design, Synthesis, and Applications of Chiral N-2-Phenyl-2-propyl Sulfinyl Imines for Group-Assisted Purification (GAP) Asymmetric Synthesis","Journal of Organic Chemistry","2013","78","","4006","4012","10.1021/jo400354r","","","0.71073","MoKα","","0.0462","0.0344","","","0.0742","0.0804","","","","","","1.018","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028172","6.7751","0.0013","7.1451","0.0013","8.7889","0.0016","76.749","0.002","76.821","0.002","83.472","0.003","402.38","0.13","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H9 N3 O -","- C8 H9 N3 O -","- C16 H18 N6 O2 -","2","1","","Yu-Chiao Shih; Ya-Ying Yang; Chun-Chi Lin; Tun-Cheng Chien","Synthesis of 6-Alkyluridines from 6-Cyanouridine via Zinc(II) Chloride-Catalyzed Nucleophilic Substitution with Alkyl Grignard Reagents","Journal of Organic Chemistry","2013","78","","4027","4036","10.1021/jo400364p","","","0.71073","MoKα","","0.1242","0.1088","","","0.3069","0.3292","","","","","","1.248","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028173","8.0425","0.0012","11.1181","0.0018","16.194","0.002","90","","90","","90","","1448","0.4","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 N2 O6 -","- C13 H20 N2 O6 -","- C52 H80 N8 O24 -","4","1","","Yu-Chiao Shih; Ya-Ying Yang; Chun-Chi Lin; Tun-Cheng Chien","Synthesis of 6-Alkyluridines from 6-Cyanouridine via Zinc(II) Chloride-Catalyzed Nucleophilic Substitution with Alkyl Grignard Reagents","Journal of Organic Chemistry","2013","78","","4027","4036","10.1021/jo400364p","","","0.71073","MoKα","","0.0369","0.0336","","","0.0911","0.0934","","","","","","1.085","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028174","7.342","0.0007","6.2293","0.0006","19.9999","0.0014","90","","99.698","0.006","90","","901.63","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 F3 N2 O2 -","- C9 H5 F3 N2 O2 -","- C36 H20 F12 N8 O8 -","4","1","","Robert S. Foster; Harry Adams; Harald Jakobi; Joseph P. A. Harrity","Synthesis of 4-Fluoromethylsydnones and their Participation in Alkyne Cycloaddition Reactions","Journal of Organic Chemistry","2013","78","","4049","4064","10.1021/jo400381a","","","0.71073","MoKα","","0.0566","0.042","","","0.1231","0.1551","","","","","","1.12","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028175","7.0878","0.0007","6.147","0.0006","19.9237","0.0019","90","","98.92","0.005","90","","857.55","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F2 N2 O2 -","- C9 H6 F2 N2 O2 -","- C36 H24 F8 N8 O8 -","4","1","","Robert S. Foster; Harry Adams; Harald Jakobi; Joseph P. A. Harrity","Synthesis of 4-Fluoromethylsydnones and their Participation in Alkyne Cycloaddition Reactions","Journal of Organic Chemistry","2013","78","","4049","4064","10.1021/jo400381a","","","0.71073","MoKα","","0.0428","0.0376","","","0.1085","0.1136","","","","","","1.077","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028176","9.65","0.005","12.429","0.007","14.078","0.007","90","","90","","90","","1688.5","1.5","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C72 H80 Br4 N4 O4 -","4","1","","Jérémie Mandel; Xiaohong Pan; E. Ben Hay; Steven J. Geib; Craig S. Wilcox; Dennis P. Curran","Rotational Isomers of N-Methyl-N-arylacetamides and Their Derived Enolates: Implications for Asymmetric Hartwig Oxindole Cyclizations","Journal of Organic Chemistry","2013","78","","4083","4089","10.1021/jo400385t","","","0.71073","MoKα","","0.1126","0.0515","","","0.1301","0.1637","","","","","","0.944","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028177","13.4116","0.0004","9.9944","0.0003","19.195","0.0006","90","","93.348","0.002","90","","2568.52","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O6 S -","- C28 H25 N O6 S -","- C112 H100 N4 O24 S4 -","4","1","","Xiaoyi Xin; Dongping Wang; Fan Wu; Xincheng Li; Boshun Wan","Cyclization and N-Iodosuccinimide-Induced Electrophilic Iodocyclization of 3-Aza-1,5-enynes To Synthesize 1,2-Dihydropyridines and 3-Iodo-1,2-dihydropyridines","Journal of Organic Chemistry","2013","78","","4065","4074","10.1021/jo400387b","","","0.71073","MoKα","","0.0927","0.0768","","","0.2145","0.2297","","","","","","1.093","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028178","9.6086","0.0004","11.3986","0.0005","14.7124","0.0006","89.194","0.003","83.704","0.003","73.888","0.003","1538.51","0.12","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H24 I N O6 S -","- C28 H24 I N O6 S -","- C56 H48 I2 N2 O12 S2 -","2","2","","Xiaoyi Xin; Dongping Wang; Fan Wu; Xincheng Li; Boshun Wan","Cyclization and N-Iodosuccinimide-Induced Electrophilic Iodocyclization of 3-Aza-1,5-enynes To Synthesize 1,2-Dihydropyridines and 3-Iodo-1,2-dihydropyridines","Journal of Organic Chemistry","2013","78","","4065","4074","10.1021/jo400387b","","","0.71073","MoKα","","0.0698","0.0509","","","0.1646","0.1811","","","","","","1.059","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028179","8.379","0.0001","9.797","0.0001","12.862","0.0002","90","","90","","90","","1055.83","0.02","123","1","123","1","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C52 H36 N4 O12 -","4","1","","Kathrin Ulbrich; Peter Kreitmeier; Tirayut Vilaivan; Oliver Reiser","Enantioselective Synthesis of 4-Heterosubstituted Cyclopentenones","Journal of Organic Chemistry","2013","78","","4202","4206","10.1021/jo400409f","","x-ray","1.54178","CuKα","","0.0325","0.032","","","0.0829","0.0837","","","","","","1.051","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028180","8.2414","0.0002","9.3417","0.0003","9.8011","0.0008","94.71","0.006","114.659","0.004","105.507","0.005","644.44","0.07","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C14 H13 I O3 -","- C14 H13 I O3 -","- C28 H26 I2 O6 -","2","2","","Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin","Preparation and x-ray Structural Study of 1-Arylbenziodoxolones","Journal of Organic Chemistry","2013","78","","3767","3773","10.1021/jo400212u","","","0.71075","MoKα","","0.017","0.0163","","0.0387","0.0374","0.0374","","","","","","1.0585","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028181","11.4401","0.0004","17.2638","0.0006","20.1815","0.0014","103.013","0.007","106.063","0.008","108.802","0.008","3402.5","0.5","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C17.25 H21 I O3.75 -","- C17.25 H21 I O3.75 -","- C138 H168 I8 O30 -","8","4","","Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin","Preparation and x-ray Structural Study of 1-Arylbenziodoxolones","Journal of Organic Chemistry","2013","78","","3767","3773","10.1021/jo400212u","","","0.71075","MoKα","","0.0502","0.041","","0.0961","0.0874","0.0961","","","","","","0.9749","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028182","10.1587","0.0004","17.6882","0.001","20.1886","0.0014","90","","90.879","0.006","90","","3627.2","0.4","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 I O2 -","- C14 H11 I O2 -","- C168 H132 I12 O24 -","12","3","","Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin","Preparation and x-ray Structural Study of 1-Arylbenziodoxolones","Journal of Organic Chemistry","2013","78","","3767","3773","10.1021/jo400212u","","","0.71075","MoKα","","0.044","0.0363","","0.0572","0.0544","0.0572","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028183","11.6678","0.0014","11.6678","0.0014","9.4235","0.0006","90","","90","","120","","1111","0.2","123","","123","","","","","","","","","4","P 31","P 31","144","","","","- C16 H15 I O2 -","- C16 H15 I O2 -","- C48 H45 I3 O6 -","3","1","","Mekhman S. Yusubov; Roza Y. Yusubova; Victor N. Nemykin; Viktor V. Zhdankin","Preparation and x-ray Structural Study of 1-Arylbenziodoxolones","Journal of Organic Chemistry","2013","78","","3767","3773","10.1021/jo400212u","","","0.71075","MoKα","","0.0876","0.0446","","0.0921","0.068","0.0921","","","","","","0.9816","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028184","7.829","0.001","15.32","0.002","15.181","0.002","90","","90.62","0.02","90","","1820.7","0.4","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F3 O3 -","- C8 H7 F3 O3 -","- C64 H56 F24 O24 -","8","2","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0674","0.0321","","","0.0782","0.0852","","","","","","0.627","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028185","12.796","0.003","8.726","0.001","25.901","0.004","90","","94.74","0.04","90","","2882.2","0.9","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F3 O4 -","- C14 H15 F3 O4 -","- C112 H120 F24 O32 -","8","2","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0785","0.0522","","","0.1506","0.1608","","","","","","0.959","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028186","35.009","0.003","8.927","0.0009","11.884","0.0012","90","","97.76","0.02","90","","3680","0.6","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Cl F3 O4 -","- C19 H13 Cl F3 O4 -","- C152 H104 Cl8 F24 O32 -","8","1","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0562","0.0448","","","0.1271","0.1322","","","","","","0.987","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028187","14.4108","0.0014","30.084","0.003","8.6468","0.0008","90","","91.909","0.005","90","","3746.6","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F6 O8 -","- C16 H14 F6 O8 -","- C128 H112 F48 O64 -","8","2","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0534","0.0485","","","0.1272","0.1313","","","","","","1.047","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028188","7.14","0.0006","13.023","0.001","19.251","0.001","82.6","0.01","81.95","0.01","83.43","0.01","1749.2","0.2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl F3 O4 -","- C18 H14 Cl F3 O4 -","- C72 H56 Cl4 F12 O16 -","4","2","","Valerij A. Nikolaev; Murat B. Supurgibekov; Huw M. L. Davies; Joachim Sieler; Valerija M. Zakharova","Influence of an Internal Trifluoromethyl Group on the Rhodium(II)-Catalyzed Reactions of Vinyldiazocarbonyl Compounds","Journal of Organic Chemistry","2013","78","","4239","4244","10.1021/jo302726m","","","0.71073","MoKα","","0.0651","0.0344","","","0.074","0.0788","","","","","","0.766","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4028189","5.3049","0.0017","12.08","0.004","17.045","0.005","90","","94.079","0.004","90","","1089.5","0.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H21 F2 N O S2 -","- C23 H21 F2 N O S2 -","- C46 H42 F4 N2 O2 S4 -","2","1","","Haizhen Jiang; Liuming Yan; Minjun Xu; Wenjun Lu; Yeshan Cai; Wen Wan; Jianhua Yao; Shaoxiong Wu; Shizheng Zhu; Jian Hao","Nucleophile-Dependent Regioselective Reaction of (S)-4-Benzyl-2-Fluoroalkyl-1,3-Oxazolines","Journal of Organic Chemistry","2013","78","","4261","4269","10.1021/jo400073d","","","0.71073","MoKα","","0.0601","0.0428","","","0.0812","0.0898","","","","","","1.047","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028190","5.162","0.003","8.413","0.005","37.3","0.02","90","","90","","90","","1619.9","1.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 F3 N O2 -","- C17 H16 F3 N O2 -","- C68 H64 F12 N4 O8 -","4","1","","Haizhen Jiang; Liuming Yan; Minjun Xu; Wenjun Lu; Yeshan Cai; Wen Wan; Jianhua Yao; Shaoxiong Wu; Shizheng Zhu; Jian Hao","Nucleophile-Dependent Regioselective Reaction of (S)-4-Benzyl-2-Fluoroalkyl-1,3-Oxazolines","Journal of Organic Chemistry","2013","78","","4261","4269","10.1021/jo400073d","","","0.71073","MoKα","","0.11","0.0816","","","0.2457","0.2744","","","","","","1.105","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028191","8.247","0.003","5.0946","0.0016","14.235","0.005","90","","100.136","0.004","90","","588.8","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H12 F3 N O2 -","- C11 H12 F3 N O2 -","- C22 H24 F6 N2 O4 -","2","1","","Haizhen Jiang; Liuming Yan; Minjun Xu; Wenjun Lu; Yeshan Cai; Wen Wan; Jianhua Yao; Shaoxiong Wu; Shizheng Zhu; Jian Hao","Nucleophile-Dependent Regioselective Reaction of (S)-4-Benzyl-2-Fluoroalkyl-1,3-Oxazolines","Journal of Organic Chemistry","2013","78","","4261","4269","10.1021/jo400073d","","","0.71073","MoKα","","0.0741","0.0554","","","0.1429","0.1598","","","","","","1.053","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028192","15.761","0.003","12.379","0.002","12.96","0.003","90","","102.904","0.004","90","","2464.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Cl N2 O5 -","- C27 H21 Cl N2 O5 -","- C108 H84 Cl4 N8 O20 -","4","1","","Chun-Bao Miao; Chun-Ping Dong; Min Zhang; Wen-Long Ren; Qi Meng; Xiao-Qiang Sun; Hai-Tao Yang","Highly Stereoselective, One-Pot Synthesis of Azetidines and 2,4-Dioxo-1,3-diazabicyclo[3.2.0] Compounds Mediated by I2","Journal of Organic Chemistry","2013","78","","4329","4340","10.1021/jo400181r","","","0.71073","MoKα","","0.0885","0.0529","","","0.1321","0.1478","","","","","","1.053","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028193","10.0187","0.0015","11.4254","0.0016","13.785","0.003","105.439","0.004","93.916","0.004","115.678","0.003","1339.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 Cl N2 O6 -","- C27 H19 Cl N2 O6 -","- C54 H38 Cl2 N4 O12 -","2","1","","Chun-Bao Miao; Chun-Ping Dong; Min Zhang; Wen-Long Ren; Qi Meng; Xiao-Qiang Sun; Hai-Tao Yang","Highly Stereoselective, One-Pot Synthesis of Azetidines and 2,4-Dioxo-1,3-diazabicyclo[3.2.0] Compounds Mediated by I2","Journal of Organic Chemistry","2013","78","","4329","4340","10.1021/jo400181r","","","0.71073","MoKα","","0.1081","0.0898","","","0.2906","0.3259","","","","","","0.902","","","","has coordinates,has disorder","178460","2020-10-21","18:00:00",""
"4028194","8.6536","0.0008","11.2113","0.001","23.211","0.002","90","","90","","90","","2251.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H19 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","1","","Chun-Bao Miao; Chun-Ping Dong; Min Zhang; Wen-Long Ren; Qi Meng; Xiao-Qiang Sun; Hai-Tao Yang","Highly Stereoselective, One-Pot Synthesis of Azetidines and 2,4-Dioxo-1,3-diazabicyclo[3.2.0] Compounds Mediated by I2","Journal of Organic Chemistry","2013","78","","4329","4340","10.1021/jo400181r","","","0.71073","MoKα","","0.0724","0.0453","","","0.1129","0.1297","","","","","","0.984","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028195","6.5595","0.0001","13.8801","0.0003","15.4276","0.0003","90","","90","","90","","1404.63","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","meropenem","","","- C18 H15 N3 O -","- C18 H15 N3 O -","- C72 H60 N12 O4 -","4","1","","Xun Ji; Yu Zhou; Jinfang Wang; Linxiang Zhao; Hualiang Jiang; Hong Liu","Au(I)/Ag(I)-Catalyzed Cascade Approach for the Synthesis of Benzo[4,5]imidazo[1,2-c]pyrrolo[1,2-a]quinazolinones","Journal of Organic Chemistry","2013","78","","4312","4318","10.1021/jo400228g","","","0.71073","MoKα","","0.0379","0.0335","","","0.0774","0.0793","","","","","","1.351","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028196","10.01","0.003","10.641","0.005","10.743","0.003","83.155","0.007","75.634","0.005","62.657","0.004","984.7","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C52 H40 N4 O2 -","2","1","","Na An; Bo-Xue Tian; Hong-Jun Pi; Leif A. Eriksson; Wei-Ping Deng","Mechanistic Insight into Self-Propagation of Organo-Mediated Beckmann Rearrangement: A Combined Experimental and Computational Study","Journal of Organic Chemistry","2013","78","","4297","4302","10.1021/jo400278c","","","0.71073","MoKα","","0.1215","0.0691","","","0.1679","0.189","","","","","","0.869","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028197","10.922","0.003","20.287","0.006","9.3","0.003","90","","97.478","0.004","90","","2043.1","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O -","- C26 H20 N2 O -","- C104 H80 N8 O4 -","4","1","","Na An; Bo-Xue Tian; Hong-Jun Pi; Leif A. Eriksson; Wei-Ping Deng","Mechanistic Insight into Self-Propagation of Organo-Mediated Beckmann Rearrangement: A Combined Experimental and Computational Study","Journal of Organic Chemistry","2013","78","","4297","4302","10.1021/jo400278c","","","0.71073","MoKα","","0.0733","0.0376","","","0.0802","0.0908","","","","","","0.811","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028198","7.6866","0.0005","18.4249","0.0011","13.3065","0.0008","90","","96.761","0.003","90","","1871.4","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 N3 O3 -","- C20 H27 N3 O3 -","- C80 H108 N12 O12 -","4","1","","Jhonny Azuaje; Abdelaziz El Maatougui; José M. Pérez-Rubio; Alberto Coelho; Franco Fernández; Eddy Sotelo","Multicomponent Assembly of Diverse Pyrazin-2(1H)-one Chemotypes","Journal of Organic Chemistry","2013","78","","4402","4409","10.1021/jo4003163","","x-ray","0.7107","MoKα","","0.0503","0.0381","","","0.0829","0.0885","","","","","","1.032","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028199","16.5731","0.0004","6.5305","0.0002","31.5251","0.0008","90","","94.15","0.002","90","","3403.04","0.16","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","4","","Mukulesh Mondal; Han-Jen Ho; Nicholas J. Peraino; Melanie A. Gary; Kraig A. Wheeler; Nessan J. Kerrigan","Diastereoselective Reaction of Sulfoxonium Ylides, Aldehydes and Ketenes: An Approach to trans-γ-Lactones","Journal of Organic Chemistry","2013","78","","4587","4593","10.1021/jo4003213","","","1.54178","CuKα","","0.104","0.0692","","","0.1561","0.175","","","","","","1.053","","","","has coordinates","178460","2020-10-21","18:00:00",""
"4028200","7.9199","0.0006","22.3821","0.0018","15.455","0.0012","90","","102.289","0.001","90","","2676.8","0.4","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 N2 O2 S Si -","- C25 H40 N2 O2 S Si -","- C100 H160 N8 O8 S4 Si4 -","4","1","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.0448","0.0384","","","0.1292","0.1381","","","","","","1.123","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028201","13.1622","0.0012","14.1592","0.0012","15.1685","0.0014","90","","90","","90","","2826.9","0.4","296","","296","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H44 N2 O2 S Si -","- C27 H44 N2 O2 S Si -","- C108 H176 N8 O8 S4 Si4 -","4","2","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.031","0.0293","","","0.0942","0.0976","","","","","","0.86","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028202","15.241","0.0011","12.5664","0.001","16.0205","0.0012","90","","114.207","0.001","90","","2798.5","0.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N2 O2 S Si -","- C30 H34 N2 O2 S Si -","- C120 H136 N8 O8 S4 Si4 -","4","1","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.0403","0.034","","","0.1061","0.1169","","","","","","0.811","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028203","24.381","0.006","7.698","0.002","15.28","0.004","90","","96.687","0.004","90","","2848.3","1.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 N2 O2 S Si -","- C28 H44 N2 O2 S Si -","- C112 H176 N8 O8 S4 Si4 -","4","1","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.1094","0.0708","","","0.1776","0.21","","","","","","1.316","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028204","8.1578","0.0008","9.771","0.001","11.2573","0.0011","99.109","0.001","94.865","0.001","97.709","0.001","872.82","0.15","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N2 O2 S -","- C19 H24 N2 O2 S -","- C38 H48 N4 O4 S2 -","2","1","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.0416","0.0382","","","0.1394","0.1439","","","","","","1.217","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028205","11.6475","0.0011","18.532","0.0018","23.269","0.002","90","","92.298","0.001","90","","5018.6","0.8","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 N O5 S2 Si2 -","- C23 H36 N2 O2 S Si -","- C184 H288 N16 O16 S8 Si8 -","8","2","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.1073","0.0513","","","0.1357","0.1792","","","","","","0.928","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028206","12.3322","0.0011","15.5794","0.0014","15.9936","0.0014","114.611","0.001","106.319","0.001","98.457","0.001","2555.4","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H38 N2 O2 S Si -","- C25 H38 N2 O2 S Si -","- C100 H152 N8 O8 S4 Si4 -","4","2","","Tomohiro Igarashi; Shigeru Arai; Atsushi Nishida","AntiCarbocyanative Cyclization of Enynes under Nickel Catalysis","Journal of Organic Chemistry","2013","78","","4366","4372","10.1021/jo400342y","","","0.71073","MoKα","","0.0836","0.0505","","","0.132","0.1662","","","","","","0.966","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028207","11.5254","0.0003","11.2153","0.0003","12.6004","0.0004","90","","101.352","0.001","90","","1596.87","0.08","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 B F N3 O2 -","- C19 H13 B F N3 O2 -","- C76 H52 B4 F4 N12 O8 -","4","1","","Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging","Journal of Organic Chemistry","2013","78","","4410","4418","10.1021/jo4003745","","","0.71073","MoKα","","0.0706","0.0564","","","0.1276","0.138","","","","","","1.091","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028208","7.647","0.006","21.859","0.015","11.074","0.01","90","","94.778","0.011","90","","1845","3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 B F N3 O4 -","- C21 H17 B F N3 O4 -","- C84 H68 B4 F4 N12 O16 -","4","1","","Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging","Journal of Organic Chemistry","2013","78","","4410","4418","10.1021/jo4003745","","","0.7107","MoKα","","0.0485","0.036","","","0.1169","0.1584","","","","","","1.179","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028209","9.698","0.009","21.38","0.04","10.808","0.014","90","","104.7","0.04","90","","2168","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 B N5 -","- C27 H24 B N5 -","- C108 H96 B4 N20 -","4","1","","Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging","Journal of Organic Chemistry","2013","78","","4410","4418","10.1021/jo4003745","","","0.7107","MoKα","","0.0577","0.0442","","","0.1247","0.1525","","","","","","1.206","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028210","21.589","0.003","21.589","0.003","26.933","0.003","90","","90","","120","","10871","2","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C25 H34 B N5 O -","- C25 H34 B N5 O -","- C450 H612 B18 N90 O18 -","18","1","","Christoph Glotzbach; Ulrike Kauscher; Jens Voskuhl; N. Seda Kehr; Marc C. A. Stuart; Roland Fröhlich; Hans J. Galla; Bart Jan Ravoo; Kazuhiko Nagura; Shohei Saito; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Fluorescent Modular Boron Systems Based on NNN- and ONO-Tridentate Ligands: Self-Assembly and Cell Imaging","Journal of Organic Chemistry","2013","78","","4410","4418","10.1021/jo4003745","","","0.7107","MoKα","","0.0656","0.0576","","","0.1306","0.1358","","","","","","1.107","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028211","8.448","0.001","11.579","0.003","14.093","0.004","94.74","0.01","102.62","0.02","90.301","0.007","1340.3","0.5","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C29 H25 B F2 O6 -","- C29 H25 B F2 O6 -","- C58 H50 B2 F4 O12 -","2","1","","Abdellah Felouat; Anthony D'Aléo; Fredéric Fages","Synthesis and Photophysical Properties of Difluoroboron Complexes of Curcuminoid Derivatives Bearing Different Terminal Aromatic Units and a meso-Aryl Ring","Journal of Organic Chemistry","2013","78","","4446","4455","10.1021/jo400389h","","x-ray","0.71073","MoKα","","0.1687","0.0831","","","0.2305","0.309","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028212","10.5885","0.0007","12.0366","0.0005","16.3904","0.001","90","","96.405","0.006","90","","2075.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Br N2 O -","- C24 H21 Br N2 O -","- C96 H84 Br4 N8 O4 -","4","1","","Akhilesh K. Verma; Siva K. Reddy Kotla; Deepak Choudhary; Monika Patel; Rakesh K. Tiwari","Silver-Catalyzed Tandem Synthesis of Naphthyridines and Thienopyridines via Three-Component Reaction","Journal of Organic Chemistry","2013","78","","4386","4401","10.1021/jo400400c","","","0.71073","MoKα","","0.1038","0.0585","","","0.1428","0.1657","","","","","","0.999","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028213","9.822","0.002","9.849","0.002","10.995","0.003","95.962","0.004","112.616","0.004","106.985","0.004","910.4","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","1","1","","Ken S. Feldman; Brandon R. Selfridge","Synthesis Studies on the Lomaiviticin A Aglycone Core: Development of a Divergent, Two-Directional Strategy","Journal of Organic Chemistry","2013","78","","4499","4511","10.1021/jo4005074","","","0.71073","MoKα","","0.0438","0.0407","","","0.1067","0.1099","","","","","","1.027","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028214","13.13","0.005","8.462","0.002","18.001","0.004","90","","94.05","0.016","90","","1995","1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C92 H108 N4 O16 -","4","1","","Ken S. Feldman; Brandon R. Selfridge","Synthesis Studies on the Lomaiviticin A Aglycone Core: Development of a Divergent, Two-Directional Strategy","Journal of Organic Chemistry","2013","78","","4499","4511","10.1021/jo4005074","","","0.71073","MoKα","","0.0801","0.0588","","","0.1507","0.1656","","","","","","1.012","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028215","21.5297","0.0004","12.2669","0.0003","18.5384","0.0004","90","","95.2","0.001","90","","4875.89","0.18","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 N4 O15 P2 -","- C46 H36 N4 O12 P2 -","- C184 H144 N16 O48 P8 -","4","1","","Tyler T. Adint; Gene W. Wong; Clark R. Landis","Libraries of Bisdiazaphospholanes and Optimization of Rhodium-Catalyzed Enantioselective Hydroformylation","Journal of Organic Chemistry","2013","78","","4231","4238","10.1021/jo400525w","","","1.54178","Cu-Kα","","0.0531","0.0512","","","0.1375","0.1392","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4028216","8.1744","0.0014","8.2642","0.0014","11.2317","0.0019","87.925","0.002","77.109","0.002","80.284","0.002","729","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H24 O2 -","- C18 H24 O2 -","- C36 H48 O4 -","2","1","","Hilan Z. Kaplan; Victor L. Rendina; Jason S. Kingsbury","Diastereoselective Synthesis of Complex cis-Hexahydroindanes by Reductive Alkylation","Journal of Organic Chemistry","2013","78","","4620","4626","10.1021/jo400670y","","","0.71073","MoKα","","0.0538","0.0459","","","0.1143","0.1199","","","","","","1.03","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028217","15.099","0.003","9.3135","0.0014","18.43","0.002","90","","90","","90","","2591.7","0.7","190","","190","","","","101","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H28 F O6 P S -","- C26 H28 F O6 P S -","- C104 H112 F4 O24 P4 S4 -","4","1","","Stanislav Opekar; Radek Pohl; Václav Eigner; Petr Beier","Conjugate Addition of Diethyl 1-Fluoro-1-phenylsulfonylmethanephosphonate to α,β-Unsaturated Compounds","Journal of Organic Chemistry","2013","78","","4573","4579","10.1021/jo400297f","","","1.54184","CuKα","","0.1099","0.1032","","0.112","0.106","0.106","","","","","","0.9328","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028218","32.735","0.002","5.544","0.0003","22.2598","0.0015","90","","96.912","0.005","90","","4010.4","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cl6 N6 O2 S4 -","- C36 H34 Cl6 N6 O2 S4 -","- C144 H136 Cl24 N24 O8 S16 -","4","0.5","","Roya Esmaili; Davood Nematollahi","Electrochemical Method for the Synthesis of Disulfides of 2-(Benzo[d]thiazol(or oxazol)-2-ylamino)-5-morpholinobenzenethiol","Journal of Organic Chemistry","2013","78","","5018","5021","10.1021/jo302647r","","","0.71073","MoKα","","0.1382","0.0831","","","0.1584","0.1748","","","","","","1.047","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028219","12.0523","0.0011","7.62","0.0007","19.0289","0.0019","90","","90","","90","","1747.6","0.3","296","2","296","2","","","","","","","total synthesis","4","P b c a","-P 2ac 2ab","61","Caulibugulone A","7-(methylamino)isoquinoline-5,8-dione","","- C10 H8 N2 O2 -","- C10 H8 N2 O2 -","- C80 H64 N16 O16 -","8","1","","Fabrício F. Naciuk; Julio C. Milan; Almir Andreão; Paulo C. M. L. Miranda","Exploitation of a Tuned Oxidation with N-Haloimides in the Synthesis of Caulibugulones A-D","Journal of Organic Chemistry","2013","78","","5026","5030","10.1021/jo302772t","","","0.71073","MoKα","","0.0559","0.0456","","","0.1161","0.1242","","","","","","1.156","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028220","10.882","0.0008","7.6896","0.0006","11.7402","0.0009","90","","105.997","0.002","90","","944.36","0.12","296","2","296","2","","","","","","","total synthesis","5","P 1 21/n 1","-P 2yn","14","caulibugulone B","6-bromo-7-(methylamino)isoquinoline-5,8-dione","","- C10 H7 Br N2 O2 -","- C10 H7 Br N2 O2 -","- C40 H28 Br4 N8 O8 -","4","1","","Fabrício F. Naciuk; Julio C. Milan; Almir Andreão; Paulo C. M. L. Miranda","Exploitation of a Tuned Oxidation with N-Haloimides in the Synthesis of Caulibugulones A-D","Journal of Organic Chemistry","2013","78","","5026","5030","10.1021/jo302772t","","x-ray","0.71073","MoKα","","0.0493","0.028","","","0.0673","0.0756","","","","","","0.925","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028221","5.3738","0.0004","5.4329","0.0004","16.3535","0.0012","90","","95.509","0.002","90","","475.24","0.06","296","2","296","2","","","","","","","total synthesis","5","P 1 21 1","P 2yb","4","caulibugulone C","6-chloro-7-(methylamino)isoquinoline-5,8-dione","","- C10 H7 Cl N2 O2 -","- C10 H7 Cl N2 O2 -","- C20 H14 Cl2 N4 O4 -","2","1","","Fabrício F. Naciuk; Julio C. Milan; Almir Andreão; Paulo C. M. L. Miranda","Exploitation of a Tuned Oxidation with N-Haloimides in the Synthesis of Caulibugulones A-D","Journal of Organic Chemistry","2013","78","","5026","5030","10.1021/jo302772t","","","0.71073","MoKα","","0.0593","0.0387","","","0.1144","0.1442","","","","","","0.851","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028222","7.1713","0.0004","11.2608","0.0008","15.5138","0.0009","90","","99.538","0.006","90","","1235.49","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N O4 -","- C14 H12 N O4 -","- C56 H48 N4 O16 -","4","1","","R. Santhosh Reddy; Pragati K Prasad; Brij Bhushan Ahuja; Arumugam Sudalai","CuCN-Mediated Cascade Cyclization of 4-(2-Bromophenyl)-2-butenoates: A High-Yield Synthesis of Substituted Naphthalene Amino Esters","Journal of Organic Chemistry","2013","78","","5045","5050","10.1021/jo400244h","","","0.71073","MoKα","","0.093","0.068","","","0.2185","0.2476","","","","","","1.434","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028223","6.713","0.002","11.072","0.003","14.727","0.005","98.113","0.004","101.22","0.004","91.799","0.004","1061","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N6 O3 -","- C23 H22 N6 O3 -","- C46 H44 N12 O6 -","2","1","","Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Fused Polycyclic Compounds via Cycloaddition of 4-(1'-Cyclohexenyl)-5-iodo-1,2,3-triazoles with 4-Phenyl-1,2,4-triazoline-3,5-dione: The Importance of a Sacrificial Iodide Leaving Group","Journal of Organic Chemistry","2013","78","","5038","5044","10.1021/jo400271j","","","0.71073","MoKα","","0.0593","0.0482","","","0.1219","0.1309","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028224","7.4079","0.0004","16.7358","0.0009","18.8282","0.0011","90","","100.142","0.001","90","","2297.8","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H52 N12 O7 -","- C49 H52 N12 O7 -","- C98 H104 N24 O14 -","2","0.5","","Heather A. Michaels; J. Tyler Simmons; Ronald J. Clark; Lei Zhu","Fused Polycyclic Compounds via Cycloaddition of 4-(1'-Cyclohexenyl)-5-iodo-1,2,3-triazoles with 4-Phenyl-1,2,4-triazoline-3,5-dione: The Importance of a Sacrificial Iodide Leaving Group","Journal of Organic Chemistry","2013","78","","5038","5044","10.1021/jo400271j","","","0.71073","MoKα","","0.0595","0.0499","","","0.178","0.1899","","","","","","1.498","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4028225","5.3844","0.0014","9.514","0.002","22.874","0.006","90","","95.216","0.003","90","","1166.9","0.5","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H35 Cl N2 O4 -","- C22 H35 Cl N2 O4 -","- C44 H70 Cl2 N4 O8 -","2","1","","Arjun Raghuraman; Dongyue Xin; Lisa M. Perez; Kevin Burgess","Expanding the Scope of Oligo-pyrrolinone-Pyrrolidines as Protein-Protein Interface Mimics","Journal of Organic Chemistry","2013","78","","4823","4833","10.1021/jo400323k","","","0.71073","MoKα","","0.0589","0.0499","","","0.113","0.1174","","","","","","1.065","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028226","10.306","0.002","10.45","0.002","11.48","0.003","90","","104.939","0.004","90","","1194.6","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H34 N2 O5 -","- C24 H34 N2 O5 -","- C48 H68 N4 O10 -","2","1","","Nagarathanam Veerasamy; Erik C. Carlson; Nathan D. Collett; Mrinmoy Saha; Rich G. Carter","Enantioselective Approach to Quinolizidines: Total Synthesis of Cermizine D and Formal Syntheses of Senepodine G and Cermizine C","Journal of Organic Chemistry","2013","78","","4779","4800","10.1021/jo400324t","","","0.71073","MoKα","","0.0579","0.0416","","","0.0784","0.0865","","","","","","1.039","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028227","12.493","0.003","6.4889","0.0013","13.275","0.003","90","","97.91","0.03","90","","1065.9","0.4","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O3 Si -","- C23 H27 N O3 Si -","- C46 H54 N2 O6 Si2 -","2","1","","Paidi Venkatram Reddy; Julien Smith; Anushree Kamath; Hélène Jamet; Amaël Veyron; Peter Koos; Christian Philouze; Andrew E. Greene; Philippe Delair","Asymmetric Approach to Hyacinthacines B1 and B2","Journal of Organic Chemistry","2013","78","","4840","4849","10.1021/jo400386f","","x-ray","0.71073","MoKα","","0.097","0.08","","","0.1888","0.213","","","","","","1.1","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028228","9.7244","0.0004","9.7244","0.0004","20.4524","0.0012","90","","90","","120","","1674.94","0.14","173","2","173","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C30 H66 P2 Pd -","- C30 H66 P2 Pd -","- C60 H132 P4 Pd2 -","2","0.333333","","Steven M. Raders; Jane N. Moore; Jacquelynn K. Parks; Ashley D. Miller; Thomas M. Leißing; Steven P. Kelley; Robin D. Rogers; Kevin H. Shaughnessy","Trineopentylphosphine: A Conformationally Flexible Ligand for the Coupling of Sterically Demanding Substrates in the Buchwald-Hartwig Amination and Suzuki-Miyaura Reaction","Journal of Organic Chemistry","2013","78","","4649","4664","10.1021/jo400435z","","","0.71073","MoKα","","0.0481","0.0395","","","0.0989","0.1046","","","","","","1.099","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028229","15.03","0.0016","16.4173","0.0016","12.3394","0.0012","90","","113.961","0.003","90","","2782.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H46 Br P Pd -","- C25 H46 Br P Pd -","- C100 H184 Br4 P4 Pd4 -","4","1","","Steven M. Raders; Jane N. Moore; Jacquelynn K. Parks; Ashley D. Miller; Thomas M. Leißing; Steven P. Kelley; Robin D. Rogers; Kevin H. Shaughnessy","Trineopentylphosphine: A Conformationally Flexible Ligand for the Coupling of Sterically Demanding Substrates in the Buchwald-Hartwig Amination and Suzuki-Miyaura Reaction","Journal of Organic Chemistry","2013","78","","4649","4664","10.1021/jo400435z","","","0.71073","MoKα","","0.094","0.0433","","","0.091","0.1112","","","","","","0.975","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028230","13.689","0.009","9.441","0.007","18.734","0.013","90","","91.63","0.02","90","","2420","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H80 Br2 P2 Pd2 -","- C44 H80 Br2 P2 Pd2 -","- C88 H160 Br4 P4 Pd4 -","2","0.5","","Steven M. Raders; Jane N. Moore; Jacquelynn K. Parks; Ashley D. Miller; Thomas M. Leißing; Steven P. Kelley; Robin D. Rogers; Kevin H. Shaughnessy","Trineopentylphosphine: A Conformationally Flexible Ligand for the Coupling of Sterically Demanding Substrates in the Buchwald-Hartwig Amination and Suzuki-Miyaura Reaction","Journal of Organic Chemistry","2013","78","","4649","4664","10.1021/jo400435z","","","0.71073","MoKα","","0.1515","0.1236","","","0.3138","0.3379","","","","","","1.081","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028231","6.771","0.0004","12.089","0.0007","14.8586","0.0009","99.663","0.003","93.799","0.003","91.628","0.003","1195.39","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 B F2 N4 O2 -","- C26 H23 B F2 N4 O2 -","- C52 H46 B2 F4 N8 O4 -","2","1","","Sheri Madhu; Rajesh Gonnade; Mangalampalli Ravikanth","Synthesis of 3,5-Bis(acrylaldehyde) Boron-dipyrromethene and Application in Detection of Cysteine and Homocysteine in Living Cells","Journal of Organic Chemistry","2013","78","","5056","5060","10.1021/jo4004597","","","0.71073","MoKα","","0.0414","0.0374","","","0.1008","0.1054","","","","","","1.024","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028232","12.3447","0.0015","8.4511","0.0011","23.555","0.003","90","","103.932","0.008","90","","2385.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 N O3 S -","- C29 H23 N O3 S -","- C116 H92 N4 O12 S4 -","4","1","","Xinzhang Yu; Xiaoyi Xin; Boshun Wan; Xingwei Li","Base-Catalyzed Cyclization of N-Sulfonyl Propargylamides to Sulfonylmethyl-Substituted Oxazoles via Sulfonyl Migration","Journal of Organic Chemistry","2013","78","","4895","4904","10.1021/jo4004635","","","0.71073","MoKα","","0.0446","0.0379","","","0.1027","0.1067","","","","","","1.065","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028233","11.3247","0.0007","12.843","0.0007","15.8094","0.0009","90.059","0.003","90.014","0.004","98.644","0.003","2273.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N O4 S -","- C25 H23 N O4 S -","- C100 H92 N4 O16 S4 -","4","2","","Xinzhang Yu; Xiaoyi Xin; Boshun Wan; Xingwei Li","Base-Catalyzed Cyclization of N-Sulfonyl Propargylamides to Sulfonylmethyl-Substituted Oxazoles via Sulfonyl Migration","Journal of Organic Chemistry","2013","78","","4895","4904","10.1021/jo4004635","","","0.71073","MoKα","","0.0994","0.0645","","","0.1909","0.2144","","","","","","1.076","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028234","17.0756","0.0007","17.0756","0.0007","5.7157","0.0003","90","","90","","90","","1666.56","0.13","103","2","103","2","","","","","","","","4","P 41","P 4w","76","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C76 H72 O12 S4 -","4","1","","Guanghu Tong; Bo Zhu; Richmond Lee; Wenguo Yang; Davin Tan; Caiyun Yang; Zhiqiang Han; Lin Yan; Kuo-Wei Huang; Zhiyong Jiang","Highly Enantio- and Diastereoselective Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Allyl Ketones","Journal of Organic Chemistry","2013","78","","5067","5072","10.1021/jo400496z","","","0.71073","MoKα","","0.0591","0.0453","","","0.1085","0.1295","","","","","","1.097","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028235","12.537","0.002","11.4184","0.0019","30.962","0.005","90","","92.029","0.003","90","","4429.5","1.2","85","2","85","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H40 Cl I N O2 P2 Pd -","- C46 H38 I N O2 P2 Pd -","- C184 H152 I4 N4 O8 P8 Pd4 -","4","1","","Naresh Theddu; Edwin Vedejs","Stille Coupling of an Aziridinyl Stannatrane","Journal of Organic Chemistry","2013","78","","5061","5066","10.1021/jo4005052","","","0.71073","MoKα","","0.0542","0.0399","","","0.0858","0.09","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028236","13.293","0.0003","11.5155","0.0003","34.5292","0.0009","90","","90","","90","","5285.6","0.2","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H24 N2 O9 S2 -","- C26 H24 N2 O9 S2 -","- C208 H192 N16 O72 S16 -","8","2","","Rahul Kumar; Tarun Kumar; Shaikh M. Mobin; Irishi N. N. Nambothiri","Rauhut-Currier Reaction of Nitroalkenes with Vinyl Sulfones","Journal of Organic Chemistry","2013","78","","5073","5077","10.1021/jo400528j","","","0.71073","MoKα","","0.0576","0.0486","","","0.1185","0.127","","","","","","1.049","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028237","7.902","0.002","6.4016","0.0016","24.337","0.006","90","","94.076","0.005","90","","1228","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N3 O4 -","- C12 H13 N3 O4 -","- C48 H52 N12 O16 -","4","1","","Xiao-Jian Li; Jin-Ling Zhang; Yu Geng; Zhong Jin","Nickel-Catalyzed Suzuki-Miyaura Coupling of Heteroaryl Ethers with Arylboronic Acids","Journal of Organic Chemistry","2013","78","","5078","5084","10.1021/jo4005537","","","0.71073","MoKα","","0.0406","0.0355","","","0.0984","0.1023","","","","","","1.05","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028238","8.055","0.0016","6.578","0.0012","22.091","0.003","90","","90","","90","","1170.5","0.4","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H12 N4 O4 -","- C10 H12 N4 O4 -","- C40 H48 N16 O16 -","4","0.5","","Xiao-Jian Li; Jin-Ling Zhang; Yu Geng; Zhong Jin","Nickel-Catalyzed Suzuki-Miyaura Coupling of Heteroaryl Ethers with Arylboronic Acids","Journal of Organic Chemistry","2013","78","","5078","5084","10.1021/jo4005537","","","0.71075","MoKα","","0.0616","0.0467","","","0.1118","0.1221","","","","","","0.987","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028239","7.7674","0.0003","9.3961","0.0004","10.3181","0.0004","94.823","0.004","108.859","0.004","110.954","0.004","648.29","0.06","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C29 H33 B N O2 P -","- C29 H33 B N O2 P -","- C29 H33 B N O2 P -","1","1","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0546","0.0447","","","0.0896","0.0971","","","","","","1.053","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028240","14.5338","0.0002","14.7098","0.0003","16.4238","0.0003","90","","90","","90","","3511.23","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 B O P -","- C20 H20 B O P -","- C160 H160 B8 O8 P8 -","8","2","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0645","0.0454","","","0.1074","0.116","","","","","","1.058","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028241","11.7715","0.0001","11.7715","0.0001","33.0827","0.0005","90","","90","","90","","4584.21","0.09","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C28 H25 O3 P -","- C28 H25 O3 P -","- C224 H200 O24 P8 -","8","1","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0463","0.0394","","","0.0948","0.0985","","","","","","1.063","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028242","8.93335","0.00014","14.779","0.0002","14.9251","0.0002","90","","90","","90","","1970.5","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 B O3 P -","- C21 H22 B O3 P -","- C84 H88 B4 O12 P4 -","4","1","","Barbara Mohar; Alen Čusak; Barbara Modec; Michel Stephan","P-Stereogenic Phospholanes or Phosphorinanes from o-Biarylylphosphines: Two Bridges Not Too Far","Journal of Organic Chemistry","2013","78","","4665","4673","10.1021/jo400565b","","","0.71073","MoKα","","0.0624","0.0401","","","0.0889","0.0987","","","","","","1.074","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028243","5.8557","0.0002","11.1797","0.0003","23.0458","0.0007","90","","96.169","0.003","90","","1499.96","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 Fe2 N4 S2 -","- C38 H22 Fe2 N2.008 S1.004 -","- C76 H44 Fe4 N4.016 S2.008 -","2","0.5","","Rajneesh Misra; Prabhat Gautam; Thaksen Jadhav; Shaikh M. Mobin","Donor-Acceptor Ferrocenyl-Substituted Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","4940","4948","10.1021/jo4005734","","","0.71073","MoKα","","0.0413","0.0361","","","0.1033","0.1068","","","","","","1.118","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028244","7.8356","0.0003","13.5503","0.0006","14.1937","0.0007","101.051","0.004","104.151","0.004","102.601","0.004","1377.45","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Fe2 N2 S -","- C36 H24 Fe2 N2 S -","- C72 H48 Fe4 N4 S2 -","2","1","","Rajneesh Misra; Prabhat Gautam; Thaksen Jadhav; Shaikh M. Mobin","Donor-Acceptor Ferrocenyl-Substituted Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","4940","4948","10.1021/jo4005734","","","0.71073","MoKα","","0.06","0.0396","","","0.092","0.1045","","","","","","1.014","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028245","5.8233","0.0013","10.972","0.003","25.131","0.004","92.163","0.016","94.088","0.016","90.087","0.018","1600.5","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H11 Br Fe N2 S -","- C18 H11 Br Fe N2 S -","- C72 H44 Br4 Fe4 N8 S4 -","4","2","","Rajneesh Misra; Prabhat Gautam; Thaksen Jadhav; Shaikh M. Mobin","Donor-Acceptor Ferrocenyl-Substituted Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","4940","4948","10.1021/jo4005734","","","0.71073","MoKα","","0.0456","0.0356","","","0.0841","0.0904","","","","","","1.059","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028246","13.053","0.005","5.964","0.005","22.4","0.005","90","","104.204","0.005","90","","1690.5","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cl N2 -","- C21 H15 Cl N2 -","- C84 H60 Cl4 N8 -","4","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.141","0.0559","","","0.1135","0.1487","","","","","","0.977","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028247","10.57","0.0006","12.281","0.0013","12.175","0.0013","90","","94.429","0.007","90","","1575.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O0 -","- C20 H15 N3 -","- C80 H60 N12 -","4","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.0571","0.0447","","","0.1158","0.1252","","","","","","1.054","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028248","8.3176","0.0005","9.1581","0.0006","13.6637","0.0009","79.165","0.003","74.483","0.003","68.131","0.003","926.15","0.1","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N4 -","- C23 H18 N4 -","- C46 H36 N8 -","2","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.1363","0.0756","","","0.1647","0.1998","","","","","","0.881","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028249","19.0435","0.0007","5.8998","0.0002","15.716","0.0005","90","","111.362","0.002","90","","1644.43","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cl N2 -","- C21 H15 Cl N2 -","- C84 H60 Cl4 N8 -","4","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.0489","0.0354","","","0.0895","0.1013","","","","","","1.038","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028250","27.62","0.003","7.802","0.0008","16.139","0.0012","90","","111.655","0.005","90","","3232.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N3 O0 -","- C20 H15 N3 -","- C160 H120 N24 -","8","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.0552","0.0431","","","0.1078","0.1169","","","","","","1.07","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028251","9.3639","0.0016","10.21","0.0018","10.8034","0.0018","72.267","0.004","69.494","0.003","71.237","0.003","894.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H18 N4 -","- C23 H18 N4 -","- C46 H36 N8 -","2","1","","S. Vijay Kumar; Santosh K. Yadav; B. Raghava; B. Saraiah; H. Ila; K. S. Rangappa; Arpan Hazra","Cyclocondensation of Arylhydrazines with 1,3-Bis(het)arylmonothio-1,3-diketones and 1,3-Bis(het)aryl-3-(methylthio)-2-propenones: Synthesis of 1-Aryl-3,5-bis(het)arylpyrazoles with Complementary Regioselectivity","Journal of Organic Chemistry","2013","78","","4960","4973","10.1021/jo400599e","","","0.71073","MoKα","","0.1215","0.0648","","","0.1834","0.2372","","","","","","0.942","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028252","10.894","0.002","13.964","0.003","14.328","0.003","84.56","0.03","69.02","0.03","68.47","0.03","1891.5","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","22-thia-1,5-naphthiporphyrin","","","- C52 H36 N2 S -","- C52 H36 N2 S -","- C104 H72 N4 S2 -","2","1","","Bartosz Szyszko; Ewa Pacholska-Dudziak; Lechosław Latos-Grażyński","Incorporation of the 1,5-Naphthalene Subunit into Heteroporphyrin Structure: Toward Helical Aceneporphyrinoids","Journal of Organic Chemistry","2013","78","","5090","5095","10.1021/jo4006624","","","0.71073","MoKα","","0.1211","0.0611","","","0.1494","0.1728","","","","","","0.938","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028253","10.781","0.003","14.138","0.004","14.357","0.004","86.03","0.03","70.24","0.03","67.79","0.03","1902.4","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","22-selena-1,5-naphthiporphyrin","","","- C52 H36 N2 Se -","- C52 H36 N2 Se -","- C104 H72 N4 Se2 -","2","1","","Bartosz Szyszko; Ewa Pacholska-Dudziak; Lechosław Latos-Grażyński","Incorporation of the 1,5-Naphthalene Subunit into Heteroporphyrin Structure: Toward Helical Aceneporphyrinoids","Journal of Organic Chemistry","2013","78","","5090","5095","10.1021/jo4006624","","","0.71073","MoKα","","0.046","0.0344","","","0.0729","0.0771","","","","","","1.023","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028254","8.4875","0.0017","6.6947","0.0013","17.625","0.004","90","","92.5","0.03","90","","1000.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 O2 S -","- C12 H10 O2 S -","- C48 H40 O8 S4 -","4","1","","Peng Zhao; Hang Yin; Hongxin Gao; Chanjuan Xi","Cu-Catalyzed Synthesis of Diaryl Thioethers and S-Cycles by Reaction of Aryl Iodides with Carbon Disulfide in the Presence of DBU","Journal of Organic Chemistry","2013","78","","5001","5006","10.1021/jo400709s","","","0.71073","MoKα","","0.0416","0.0399","","","0.0948","0.0959","","","","","","1.139","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028255","10.8196","0.0009","12.0793","0.001","19.096","0.0016","72.509","0.001","89.47","0.001","70.382","0.001","2230.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]- 5-(4-methoxyphenyl)-5H-1,3-dithiolo[4,5-c]pyrrole","","- C21 H23 N O S6 -","- C21 H23 N O S6 -","- C84 H92 N4 O4 S24 -","4","2","","Matthias H. Düker; Hannes Schäfer; Matthias Zeller; Vladimir A. Azov","Rationally Designed Calix[4]arene-Pyrrolotetrathiafulvalene Receptors for Electron-Deficient Neutral Guests","Journal of Organic Chemistry","2013","78","","4905","4912","10.1021/jo400502t","","","0.71073","MoKα","","0.0342","0.0266","","","0.0647","0.0703","","","","","","1.033","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028256","4.9959","0.0001","15.4251","0.0005","16.5839","0.0006","90","","90","","90","","1277.99","0.07","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H11 N O4 -","- C17 H11 N O4 -","- C68 H44 N4 O16 -","4","1","","Hye Sun Kim; Martin G. Banwell; Anthony C. Willis","Convergent Total Syntheses of the Amaryllidaceae Alkaloids Lycoranine A, Lycoranine B, and 2-Methoxypratosine","Journal of Organic Chemistry","2013","78","","5103","5109","10.1021/jo4006987","","","0.71073","MoKα","","0.0437","0.0356","","0.0911","0.0863","0.0911","","","","","","1.0079","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028257","4.9832","0.0003","16.4133","0.0007","16.4878","0.0007","90","","90","","90","","1348.55","0.11","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C72 H52 N4 O16 -","4","1","","Hye Sun Kim; Martin G. Banwell; Anthony C. Willis","Convergent Total Syntheses of the Amaryllidaceae Alkaloids Lycoranine A, Lycoranine B, and 2-Methoxypratosine","Journal of Organic Chemistry","2013","78","","5103","5109","10.1021/jo4006987","","","0.71073","MoKα","","0.0504","0.0374","","0.0911","0.0854","0.0911","","","","","","0.9826","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028258","21.9693","0.0007","9.6562","0.0003","16.051","0.0005","90","","126.48","0.0015","90","","2737.9","0.16","295","","295","","","","","","","","local","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 Br2 N2 O8 -","- C30 H18 Br2 N2 O8 -","- C120 H72 Br8 N8 O32 -","4","0.5","","Hye Sun Kim; Martin G. Banwell; Anthony C. Willis","Convergent Total Syntheses of the Amaryllidaceae Alkaloids Lycoranine A, Lycoranine B, and 2-Methoxypratosine","Journal of Organic Chemistry","2013","78","","5103","5109","10.1021/jo4006987","","","0.71073","MoKα","","0.0774","0.0415","","0.1116","0.0968","0.1116","","","","","","0.9448","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028259","6.9155","0.0002","12.1618","0.0003","23.7255","0.0005","90","","90","","90","","1995.43","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O9 S -","- C18 H24 N2 O9 S -","- C72 H96 N8 O36 S4 -","4","1","","Baudouin Gerard; Maurice D. Lee; Sivaraman Dandapani; Jeremy R. Duvall; Mark E. Fitzgerald; Sarathy Kesavan; Jason T. Lowe; Jean-Charles Marié; Bhaumik A. Pandya; Byung-Chul Suh; Morgan Welzel O'Shea; Michael Dombrowski; Diane Hamann; Berenice Lemercier; Tiffanie Murillo; Lakshmi B. Akella; Michael A. Foley; Lisa A. Marcaurelle","Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides","Journal of Organic Chemistry","2013","78","","5160","5171","10.1021/jo4000916","","","1.54178","CuKα","","0.0323","0.0299","","","0.077","0.0789","","","","","","1.042","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028260","6.8352","0.0001","9.3359","0.0002","25.6298","0.0005","90","","90","","90","","1635.51","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N2 O7 -","- C17 H18 N2 O7 -","- C68 H72 N8 O28 -","4","1","","Baudouin Gerard; Maurice D. Lee; Sivaraman Dandapani; Jeremy R. Duvall; Mark E. Fitzgerald; Sarathy Kesavan; Jason T. Lowe; Jean-Charles Marié; Bhaumik A. Pandya; Byung-Chul Suh; Morgan Welzel O'Shea; Michael Dombrowski; Diane Hamann; Berenice Lemercier; Tiffanie Murillo; Lakshmi B. Akella; Michael A. Foley; Lisa A. Marcaurelle","Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides","Journal of Organic Chemistry","2013","78","","5160","5171","10.1021/jo4000916","","","1.54178","CuKα","","0.0265","0.0263","","","0.0681","0.0683","","","","","","1.081","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028261","4.8157","0.0001","11.331","0.0002","54.7137","0.0011","90","","90","","90","","2985.55","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl3 N O7 -","- C31 H30 Cl3 N O7 -","- C124 H120 Cl12 N4 O28 -","4","1","","Baudouin Gerard; Maurice D. Lee; Sivaraman Dandapani; Jeremy R. Duvall; Mark E. Fitzgerald; Sarathy Kesavan; Jason T. Lowe; Jean-Charles Marié; Bhaumik A. Pandya; Byung-Chul Suh; Morgan Welzel O'Shea; Michael Dombrowski; Diane Hamann; Berenice Lemercier; Tiffanie Murillo; Lakshmi B. Akella; Michael A. Foley; Lisa A. Marcaurelle","Synthesis of Stereochemically and Skeletally Diverse Fused Ring Systems from Functionalized C-Glycosides","Journal of Organic Chemistry","2013","78","","5160","5171","10.1021/jo4000916","","","1.54178","CuKα","","0.0481","0.0473","","","0.1245","0.1252","","","","","","1.098","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028262","7.577","0.006","7.621","0.006","11.472","0.009","90.963","0.007","101.151","0.01","112.377","0.011","598","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H32 N2 -","- C32 H32 N2 -","- C32 H32 N2 -","1","0.5","","Xuege Ling; Yan Xiong; Ruofeng Huang; Xiaohui Zhang; Shuting Zhang; Changguo Chen","Synthesis of Benzidine Derivatives via FeCl3.6H2O-Promoted Oxidative Coupling of Anilines","Journal of Organic Chemistry","2013","78","","5218","5226","10.1021/jo4002504","","","0.71073","MoKα","","0.1346","0.087","","","0.2671","0.2996","","","","","","0.979","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028263","9.3073","0.001","12.0801","0.0012","12.4086","0.0013","67.295","0.002","81.595","0.002","77.51","0.002","1253.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H25 N O4 -","- C35 H25 N O4 -","- C70 H50 N2 O8 -","2","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0585","0.0454","","","0.1082","0.1145","","","","","","1.016","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028264","12.2471","0.0004","14.0298","0.0005","19.1191","0.0007","90","","106.982","0.001","90","","3141.88","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H28 N2 O4 -","- C44 H28 N2 O4 -","- C176 H112 N8 O16 -","4","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.051","0.0374","","","0.0854","0.0904","","","","","","0.984","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028265","9.2269","0.0005","12.1529","0.0007","15.1197","0.0008","85.005","0.001","75.163","0.001","76.839","0.001","1595.11","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H23 Cl3 D4 N4 O4 -","- C36 H27 Cl3 N4 O4 -","- C72 H54 Cl6 N8 O8 -","2","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0647","0.0455","","","0.1078","0.116","","","","","","1.014","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028266","13.4642","0.001","12.4255","0.0009","18.3069","0.0013","90","","108.092","0.0018","90","","2911.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N3 O5 -","- C39 H27 N3 O5 -","- C156 H108 N12 O20 -","4","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.075","0.0553","","","0.1177","0.1267","","","","","","1.081","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028267","11.195","0.0006","17.6056","0.001","19.1402","0.0011","90","","90.748","0.001","90","","3772.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 D3 N3 O7 S -","- C47 H35 N3 O7 S -","- C188 H140 N12 O28 S4 -","4","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0492","0.038","","","0.0944","0.0996","","","","","","1.04","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028268","13.8334","0.0006","25.7733","0.0011","20.345","0.0008","90","","98.328","0.001","90","","7177.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H31 D1.5 I N2.5 O4 -","- C46 H31 I N2.5 O4 -","- C368 H248 I8 N20 O32 -","8","2","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0539","0.0462","","","0.1199","0.1258","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028269","9.6583","0.0007","10.435","0.0008","31.657","0.002","90","","94.42","0.002","90","","3181","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Cl3 D I N3 O4 -","- C35 H27 Cl3 I N3 O4 -","- C140 H108 Cl12 I4 N12 O16 -","4","1","","Ping Li; Chen Zhao; Mark D. Smith; Ken D. Shimizu","Comprehensive Experimental Study of N-Heterocyclic π-Stacking Interactions of Neutral and Cationic Pyridines","Journal of Organic Chemistry","2013","78","","5303","5313","10.1021/jo400370e","","","0.71073","MoKα","","0.0522","0.041","","","0.0897","0.101","","","","","","1.125","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028270","13.405","0.002","4.6947","0.0006","26.649","0.004","90","","104.114","0.003","90","","1626.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cl2 N2 O3 -","- C16 H16 Cl2 N2 O3 -","- C64 H64 Cl8 N8 O12 -","4","1","","Matthäus Getlik; Brian J. Wilson; M. Monzur Morshed; Iain D. G. Watson; Doris Tang; Pandiaraju Subramanian; Rima Al-awar","Rearrangement of 4-Amino-3-halo-pyridines by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","5705","5710","10.1021/jo4003773","","","0.71073","MoKα","","0.0589","0.0411","","","0.0879","0.0949","","","","","","1.067","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028271","13.4067","0.0006","4.7337","0.0002","26.7972","0.0013","90","","104.096","0.003","90","","1649.43","0.13","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br Cl N2 O3 -","- C16 H16 Br Cl N2 O3 -","- C64 H64 Br4 Cl4 N8 O12 -","4","1","","Matthäus Getlik; Brian J. Wilson; M. Monzur Morshed; Iain D. G. Watson; Doris Tang; Pandiaraju Subramanian; Rima Al-awar","Rearrangement of 4-Amino-3-halo-pyridines by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","5705","5710","10.1021/jo4003773","","","1.54178","CuKα","","0.0552","0.0527","","","0.1501","0.1524","","","","","","1.093","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028272","7.1704","0.0002","9.1427","0.0002","9.7023","0.0002","90","","93.713","0.002","90","","634.72","0.03","133","2","133","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O2 -","- C15 H18 O2 -","- C30 H36 O4 -","2","1","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","1.54178","CuKα","","0.0422","0.0355","","","0.0852","0.0895","","","","","","1.059","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028273","6.3404","0.0001","12.4922","0.0001","15.402","0.0001","90","","90","","90","","1219.92","0.02","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O2 -","- C14 H20 O2 -","- C56 H80 O8 -","4","1","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","1.54178","CuKα","","0.0357","0.0337","","","0.0867","0.0887","","","","","","1.118","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028274","9.556","0.003","7.2095","0.0019","20.257","0.005","90","","96.12","0.004","90","","1387.6","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","0.71073","MoKα","","0.0786","0.0518","","","0.1055","0.1125","","","","","","0.927","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028275","9.852","0.002","22.69","0.005","11.49","0.002","90","","94.817","0.003","90","","2559.4","0.9","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C112 H160 O24 -","8","4","","Ana L. Silva; Rubén A. Toscano; Luis A. Maldonado","An Enantioselective Approach to Furanoeremophilanes: (+)-9-Oxoeuryopsin","Journal of Organic Chemistry","2013","78","","5282","5292","10.1021/jo400399q","","","0.71073","MoKα","","0.1215","0.0714","","","0.1413","0.1623","","","","","","1.046","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028276","10.562","0.002","12.19","0.002","18.671","0.004","95.819","0.002","105.13","0.002","103.746","0.003","2219.6","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C122 H94 O2 -","- C122 H94 O2 -","- C122 H94 O2 -","1","0.5","","Melissa Hughs; Miguel Jimenez; Saeed Khan; Miguel A. Garcia-Garibay","Synthesis, Rotational Dynamics, and Photophysical Characterization of a Crystalline Linearly Conjugated Phenyleneethynylene Molecular Dirotor","Journal of Organic Chemistry","2013","78","","5293","5302","10.1021/jo4004053","","","0.71073","MoKα","","0.1204","0.0726","","","0.1538","0.1722","","","","","","1.034","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028277","5.1851","0.0002","32.7784","0.0012","7.2746","0.0002","90","","107.566","0.001","90","","1178.73","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Vinayak Vishnu Pagar; Appaso M. Jadhav; Rai-Shung Liu","Gold-Catalyzed Reactions between Alkenyldiazo Carbonyl Species and Acetals","Journal of Organic Chemistry","2013","78","","5711","5716","10.1021/jo400419d","","","0.71073","MoKα","","0.0454","0.0388","","","0.1116","0.1311","","","","","","1.155","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028278","7.2931","0.0009","13.1303","0.0014","13.7726","0.0015","92.71","0.001","96.367","0.001","98.725","0.002","1292.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 F5 N2 O4 -","- C31 H19 F5 N2 O4 -","- C62 H38 F10 N4 O8 -","2","1","","Yubin Ding; Xin Li; Tong Li; Weihong Zhu; Yongshu Xie","α-Monoacylated and α,α'- and α,β'-Diacylated Dipyrrins as Highly Sensitive Fluorescence ""Turn-on"" Zn2+ Probes","Journal of Organic Chemistry","2013","78","","5328","5338","10.1021/jo400454e","","","0.71073","MoKα","","0.1102","0.0528","","","0.0964","0.1095","","","","","","1.044","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028279","12.89","0.0013","16.4959","0.0015","21.712","0.002","92.231","0.001","90.21","0.001","112.136","0.002","4272.3","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H28 F10 N4 O5 Zn -","- C47 H28 F10 N4 O5 Zn -","- C188 H112 F40 N16 O20 Zn4 -","4","2","","Yubin Ding; Xin Li; Tong Li; Weihong Zhu; Yongshu Xie","α-Monoacylated and α,α'- and α,β'-Diacylated Dipyrrins as Highly Sensitive Fluorescence ""Turn-on"" Zn2+ Probes","Journal of Organic Chemistry","2013","78","","5328","5338","10.1021/jo400454e","","","0.71073","MoKα","","0.1808","0.0732","","","0.1576","0.2211","","","","","","1.032","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028280","9.22335","0.0002","14.6654","0.0003","9.7778","0.0002","90","","116.253","0.003","90","","1186.16","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 Cl2 N2 -","- C25 H30 Cl2 N2 -","- C50 H60 Cl4 N4 -","2","1","","Juan Agut; Andreu Vidal; Santiago Rodríguez; Florenci V. González","Dynamic Kinetic Asymmetric Ring-Opening/Reductive Amination Sequence of Racemic Nitroepoxides with Chiral Amines: Enantioselective Synthesis of Chiral Vicinal Diamines","Journal of Organic Chemistry","2013","78","","5717","5722","10.1021/jo400501k","","","1.54184","CuKα","","0.0402","0.0355","","","0.0915","0.0961","","","","","","1.048","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028281","18.452","0.005","21.012","0.005","23.169","0.005","77.835","0.013","76.289","0.013","80.419","0.014","8467","4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H114 N8 O38.25 S4 -","- C76 H96.5 N8 O38.25 S4 -","- C304 H386 N32 O153 S16 -","4","2","","Ling Chen; Ying-Ming Zhang; Li-Hua Wang; Yu Liu","Molecular Binding Behaviors of Pyromellitic and Naphthalene Diimide Derivatives by Tetrasulfonated 1,5-Dinaphtho-(3n+8)-crown-n (n= 8, 10) in Aqueous Solution","Journal of Organic Chemistry","2013","78","","5357","5363","10.1021/jo400519z","","","0.71073","MoKα","","0.1366","0.0932","","","0.2373","0.2709","","","","","","1.088","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028282","16.0646","0.0016","19.1312","0.0018","14.769","0.0012","90","","114.212","0.004","90","","4139.8","0.7","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H76 N4 Na2 O29 S4 -","- C60 H74 N4 Na2 O29 S4 -","- C120 H148 N8 Na4 O58 S8 -","2","0.5","","Ling Chen; Ying-Ming Zhang; Li-Hua Wang; Yu Liu","Molecular Binding Behaviors of Pyromellitic and Naphthalene Diimide Derivatives by Tetrasulfonated 1,5-Dinaphtho-(3n+8)-crown-n (n= 8, 10) in Aqueous Solution","Journal of Organic Chemistry","2013","78","","5357","5363","10.1021/jo400519z","","","0.71073","MoKα","","0.1231","0.1088","","","0.3177","0.3289","","","","","","1.07","","","","has coordinates,has disorder","289268","2024-02-02","08:58:43",""
"4028283","8.3298","0.0011","11.5891","0.0015","15.56","0.002","69.581","0.002","87.931","0.002","77.008","0.002","1370.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Diethyl r-4-benzoyl-t-2-(2,4-dichlorophenyl)-t-5-phenyltetrahydrofuran -3,3-dicarboxylate","","- C29 H26 Cl2 O6 -","- C29 H26 Cl2 O6 -","- C58 H52 Cl4 O12 -","2","1","","Gaosheng Yang; Yongxian Sun; Yue Shen; Zhuo Chai; Shuangliu Zhou; Jiang Chu; Jun Chai","cis-2,3-Disubstituted Cyclopropane 1,1-Diesters in [3 + 2] Annulations with Aldehydes: Highly Diastereoselective Construction of Densely Substituted Tetrahydrofurans","Journal of Organic Chemistry","2013","78","","5393","5400","10.1021/jo400554a","","","0.71073","MoKα","","0.0843","0.0601","","","0.1873","0.213","","","","","","1.041","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028284","11.9773","0.0005","33.8488","0.0014","26.8616","0.0012","90","","90","","90","","10890.2","0.8","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C36 H27 N O -","- C36 H27 N O -","- C576 H432 N16 O16 -","16","2","","Yushang Shao; Kai Zhu; Zhengchen Qin; Ende Li; Yanzhong Li","Lewis Acid-Catalyzed Cyclization of Enaminones with Propargylic Alcohols: Regioselective Synthesis of Multisubstituted 1,2-Dihydropyridines","Journal of Organic Chemistry","2013","78","","5731","5736","10.1021/jo4005553","","","0.71073","MoKα","","0.088","0.0493","","","0.1194","0.1408","","","","","","1.014","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028285","18.05","0.002","35.092","0.004","16.8645","0.0019","90","","90","","90","","10682","2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C33 H28 N2 O3 -","- C33 H28 N2 O3 -","- C528 H448 N32 O48 -","16","1","","Yushang Shao; Kai Zhu; Zhengchen Qin; Ende Li; Yanzhong Li","Lewis Acid-Catalyzed Cyclization of Enaminones with Propargylic Alcohols: Regioselective Synthesis of Multisubstituted 1,2-Dihydropyridines","Journal of Organic Chemistry","2013","78","","5731","5736","10.1021/jo4005553","","","0.71073","MoKα","","0.101","0.0484","","","0.1221","0.1446","","","","","","1.007","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028286","8.725","0.002","10.615","0.003","15.382","0.004","101.904","0.004","103.685","0.004","92.923","0.004","1346.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N O3 -","- C32 H28 N O3 -","- C64 H56 N2 O6 -","2","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0965","0.0683","","","0.2192","0.271","","","","","","1.059","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028287","10.4137","0.0016","10.9877","0.0017","11.8481","0.0019","77.438","0.002","69.263","0.002","86.112","0.002","1237.4","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 N2 O3 -","- C29 H22 N2 O3 -","- C58 H44 N4 O6 -","2","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0593","0.0491","","","0.1542","0.1754","","","","","","1.019","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028288","17.162","0.0019","14.1668","0.0016","9.4409","0.0011","90","","97.047","0.002","90","","2278","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C112 H100 N4 O12 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0498","0.0397","","","0.1097","0.1227","","","","","","1.05","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028289","8.415","0.003","8.415","0.003","16.635","0.007","88.127","0.003","88.127","0.003","65.54","","1071.4","0.7","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C54 H46 N2 O6 -","2","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0683","0.0469","","","0.1296","0.16","","","","","","1.098","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028290","10.9888","0.0019","11.3153","0.0019","19.432","0.003","90","","99.034","0.003","90","","2386.2","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N3 O3 -","- C29 H19 N3 O3 -","- C116 H76 N12 O12 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0941","0.0749","","","0.2207","0.2416","","","","","","1.041","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028291","11.0127","0.0014","11.3177","0.0014","19.429","0.002","90","","97.418","0.002","90","","2401.3","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 N2 O3 -","- C30 H20 N2 O3 -","- C120 H80 N8 O12 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0621","0.0456","","","0.1345","0.1517","","","","","","1.023","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028292","12.1292","0.0015","12.4025","0.0016","16.419","0.002","73.056","0.002","89.736","0.002","81.05","0.002","2331.8","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C112 H100 N4 O16 -","4","2","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0639","0.0494","","","0.145","0.1665","","","","","","1.047","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028293","10.3447","0.0008","11.4132","0.0009","19.3604","0.0016","90","","99.075","0.001","90","","2257.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N2 O3 S -","- C24 H16 N2 O3 S -","- C96 H64 N8 O12 S4 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.067","0.0572","","","0.1559","0.1635","","","","","","1.037","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028294","9.8042","0.0011","13.8629","0.0015","16.1318","0.0018","90","","90","","90","","2192.5","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 F N2 O4 -","- C21 H15 F N2 O4 -","- C84 H60 F4 N8 O16 -","4","1","","Yan Yang; Fan Ni; Wen-Ming Shu; Shang-Bo Yu; Meng Gao; An-Xin Wu","Synthesis of Tetrasubstituted Unsymmetrical 1,4-Enediones via Copper-Promoted Autotandem Catalysis and Air As the Oxidant","Journal of Organic Chemistry","2013","78","","5418","5426","10.1021/jo400564f","","","0.71073","MoKα","","0.0734","0.061","","","0.142","0.1481","","","","","","1.084","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028295","13.7138","0.0004","5.5493","0.0002","33.3099","0.001","90","","94.945","0.002","90","","2525.51","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Dihexyloxy-5,7-bis(2-thienyl)thieno[3,4-b]pyrazine","","- C26 H32 N2 O2 S3 -","- C26 H32 N2 O2 S2.9255 -","- C104 H128 N8 O8 S11.702 -","4","1","","Ryan L. Schwiderski; Seth C. Rasmussen","Synthesis and Characterization of Thieno[3,4-b]pyrazine-Based Terthienyls: Tunable Precursors for Low Band Gap Conjugated Materials","Journal of Organic Chemistry","2013","78","","5453","5462","10.1021/jo400577q","","","1.54178","CuKα","","0.0404","0.0324","","","0.084","0.0892","","","","","","1.039","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028296","11.9818","0.0003","13.2018","0.0003","10.9061","0.0003","90","","115.492","0.001","90","","1557.19","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,7-Bis(2-thienyl)thieno[3,4-b]pyrazine-2,3(1H,4H)-dione","","- C15 H12 N2 O3 S3 -","- C15 H12 N2 O3 S3 -","- C60 H48 N8 O12 S12 -","4","1","","Ryan L. Schwiderski; Seth C. Rasmussen","Synthesis and Characterization of Thieno[3,4-b]pyrazine-Based Terthienyls: Tunable Precursors for Low Band Gap Conjugated Materials","Journal of Organic Chemistry","2013","78","","5453","5462","10.1021/jo400577q","","","0.71073","MoKα","","0.048","0.0427","","","0.1209","0.1256","","","","","","1.056","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028297","16.1751","0.0004","13.433","0.0003","7.5616","0.0002","90","","95.576","0.001","90","","1635.21","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-Bis(bromomethyl)-5,7-bis(2-thienyl)thieno[3,4-b]pyrazine","","- C16 H10 Br2 N2 S3 -","- C16 H10 Br2 N2 S3 -","- C64 H40 Br8 N8 S12 -","4","1","","Ryan L. Schwiderski; Seth C. Rasmussen","Synthesis and Characterization of Thieno[3,4-b]pyrazine-Based Terthienyls: Tunable Precursors for Low Band Gap Conjugated Materials","Journal of Organic Chemistry","2013","78","","5453","5462","10.1021/jo400577q","","","1.54178","CuKα","","0.0201","0.0191","","","0.0535","0.0666","","","","","","1.24","","","","has coordinates,has disorder","178461","2020-10-21","18:00:00",""
"4028298","9.9176","0.0005","13.8269","0.0007","14.4534","0.0007","90","","102.099","0.003","90","","1937.96","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H45 Cl2 N O10 S -","- C37 H45 Cl2 N O10 S -","- C74 H90 Cl4 N2 O20 S2 -","2","1","","Nicholas A. Magnus; Bret A. Astleford; Dana L. T. Laird; Todd D. Maloney; Adam D. McFarland; John R. Rizzo; J. Craig Ruble; Gregory A. Stephenson; James P. Wepsiec","Additives Promote Noyori-type Reductions of a β-Keto-γ-lactam: Asymmetric Syntheses of Serotonin Norepinephrine Reuptake Inhibitors","Journal of Organic Chemistry","2013","78","","5768","5774","10.1021/jo400589j","","","1.54178","CuKα","","0.0557","0.05","","","0.1317","0.1406","","","","","","1.038","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028299","24.1779","0.0017","7.1621","0.0001","14.2437","0.0002","90","","105.839","0.007","90","","2372.86","0.19","113","","113","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N O7 -","- C26 H29 N O7 -","- C104 H116 N4 O28 -","4","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.0455","","","","0.1362","","","","","","1.025","","","","has coordinates","178461","2020-10-21","18:00:00",""
"4028300","8.947","0.0001","10.2863","0.0001","14.9572","0.001","70.258","0.005","79.287","0.006","69.189","0.005","1207.7","0.1","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O7 -","- C26 H29 N O7 -","- C52 H58 N2 O14 -","2","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.0477","","","","0.1395","","","","","","1.119","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028301","9.348","0.0001","8.2678","0.0001","10.8164","0.0007","90","","90.855","0.006","90","","835.88","0.06","113","","113","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.039","","","","0.1207","","","","","","1.019","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028302","10.28","0.002","10.274","0.002","10.758","0.002","90","","96.23","0.03","90","","1129.5","0.4","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H27 N O6 -","- C25 H27 N O6 -","- C50 H54 N2 O12 -","2","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","0.71073","MoKα","","0.0618","0.0537","","","0.1426","0.1486","","","","","","1.08","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028303","6.2811","0.0002","9.4985","0.0005","31.822","0.002","90","","90","","90","","1898.53","0.17","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O4 -","- C20 H28 O4 -","- C80 H112 O16 -","4","1","","Jing-Chun Han; Lian-Zhu Liu; Yuan-Yuan Chang; Guo-Zong Yue; Jie Guo; Li-Yan Zhou; Chuang-Chuang Li; Zhen Yang","Asymmetric Total Synthesis of Caribenol A via an Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","5492","5504","10.1021/jo4006156","","","1.54187","CuKα","","","0.0776","","","","0.2436","","","","","","1.506","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028304","6.1955","0.0003","11.2882","0.0005","14.7831","0.0007","93.486","0.003","92.912","0.003","98.573","0.003","1018.55","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 F N O2 S -","- C23 H24 F N O2 S -","- C46 H48 F2 N2 O4 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1133","0.0545","","","0.1399","0.197","","","","","","1.027","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028305","13.71","0.007","6.124","0.003","25.121","0.013","90","","95.688","0.008","90","","2098.8","1.8","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 F N O2 S -","- C24 H26 F N O2 S -","- C96 H104 F4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1653","0.063","","","0.1542","0.2339","","","","","","0.986","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028306","12.43","0.019","6.141","0.01","27.64","0.05","90","","92.46","0.03","90","","2108","6","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 F N O2 S -","- C24 H26 F N O2 S -","- C96 H104 F4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.3446","0.0881","","","0.1856","0.3581","","","","","","0.916","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028307","13.747","0.006","6.117","0.003","25.147","0.011","90","","97.805","0.007","90","","2095","1.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F N2 O4 S -","- C23 H23 F N2 O4 S -","- C92 H92 F4 N8 O16 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1306","0.0567","","","0.0946","0.118","","","","","","0.942","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028308","12.3463","0.0015","6.1068","0.0007","27.655","0.003","90","","92.396","0.005","90","","2083.3","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F N2 O4 S -","- C23 H23 F N2 O4 S -","- C92 H92 F4 N8 O16 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1204","0.0554","","","0.1413","0.2036","","","","","","1.013","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028309","34.923","0.006","6.1752","0.0009","27.36","0.005","90","","127.598","0.004","90","","4674.9","1.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 F N O4 S -","- C26 H28 F N O4 S -","- C208 H224 F8 N8 O32 S8 -","8","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.1841","0.0656","","","0.1034","0.1414","","","","","","0.932","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028310","8.0528","0.0009","11.9625","0.0013","24.136","0.003","90","","93.301","0.008","90","","2321.2","0.5","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 F N O4 S -","- C26 H28 F N O4 S -","- C104 H112 F4 N4 O16 S4 -","4","2","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.2013","0.1722","","","0.4482","0.4699","","","","","","1.705","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028311","13.853","0.003","6.0937","0.0012","25.16","0.004","90","","96.296","0.006","90","","2111.1","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Br F N O2 S -","- C23 H23 Br F N O2 S -","- C92 H92 Br4 F4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.0902","0.0426","","","0.0846","0.1103","","","","","","0.925","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028312","21.569","0.003","10.17","0.0015","21.832","0.003","90","","116.959","0.006","90","","4268.6","1.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O3 S -","- C24 H27 N O3 S -","- C192 H216 N8 O24 S8 -","8","2","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.2003","0.0985","","","0.2905","0.3483","","","","","","1.077","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028313","9.3782","0.0016","28.013","0.004","17.254","0.003","90","","96.101","0.009","90","","4507.2","1.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O3 S -","- C27 H27 N O3 S -","- C216 H216 N8 O24 S8 -","8","2","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.3432","0.0901","","","0.1486","0.2249","","","","","","0.907","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028314","8.6623","0.0013","17.538","0.003","15.378","0.002","90","","91.343","0.002","90","","2335.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O3 S -","- C25 H28 N2 O3 S -","- C100 H112 N8 O12 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.0699","0.0456","","","0.1232","0.1457","","","","","","1.033","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028315","8.3586","0.0003","10.8687","0.0004","12.8384","0.0005","101.952","0.002","100.022","0.002","111.15","0.002","1023.87","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 F N O2 S -","- C23 H24 F N O2 S -","- C46 H48 F2 N2 O4 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Tzu-Lin Huang; Hsiao-Ju Hsu; Yu-Shuo Tsau","Transition-Metal-Free Carbofluorination of TBS-Protected Nitrogen-Containing Cyclic Enynols: Synthesis of Fluorinated Azabicycles","Journal of Organic Chemistry","2013","78","","5521","5529","10.1021/jo400634c","","","0.71073","MoKα","","0.0733","0.0484","","","0.1396","0.1727","","","","","","1.084","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028316","21.2731","0.0016","5.6491","0.0005","12.1122","0.0008","90","","98.13","0.002","90","","1440.94","0.19","100","0.1","100","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H18 O S -","- C17 H18 O S -","- C68 H72 O4 S4 -","4","1","","Hsin-Yi Wu; Chih-Wei Chang; Rong-Jie Chein","Enantioselective Synthesis of (Thiolan-2-yl)diphenylmethanol and Its Application in Asymmetric, Catalytic Sulfur Ylide-Mediated Epoxidation","Journal of Organic Chemistry","2013","78","","5788","5793","10.1021/jo400648f","","","0.71073","MoKα","","0.0684","0.0461","","","0.0851","0.0942","","","","","","1.019","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028317","9.468","0.0006","23.0549","0.0015","13.3023","0.0009","90","","92.765","0.002","90","","2900.3","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N4 O5 S -","- C34 H34 N4 O5 S -","- C136 H136 N16 O20 S4 -","4","1","","Michael F. Geer; Michael D. Walla; Kyril M. Solntsev; Cristian A. Strassert; Linda S. Shimizu","Self-Assembled Benzophenone Bis-urea Macrocycles Facilitate Selective Oxidations by Singlet Oxygen","Journal of Organic Chemistry","2013","78","","5568","5578","10.1021/jo400685u","","","0.71073","MoKα","","0.1044","0.0675","","","0.1722","0.1907","","","","","","1.033","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028318","9.917","0.018","10.332","0.018","17.37","0.04","89.13","0.07","88.64","0.07","67.3","0.05","1641","6","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 O2 S -","- C18 H18 O2 S -","- C72 H72 O8 S4 -","4","2","","Anna Junker; Junichiro Yamaguchi; Kenichiro Itami; Bernhard Wünsch","Synthesis of Thiophene-Based TAK-779 Analogues by C-H Arylation","Journal of Organic Chemistry","2013","78","","5579","5586","10.1021/jo400692p","","","0.7107","MoKα","","0.1788","0.1153","","","0.2623","0.3115","","","","","","1.115","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028319","10.7126","0.0011","12.2124","0.0012","13.293","0.0013","90","","90","","90","","1739.1","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 -","- C21 H26 N2 -","- C84 H104 N8 -","4","1","","Changxia Yuan; Chih-Tsung Chang; Dionicio Siegel","Syntheses of (+)-Complanadine A and Lycodine Derivatives by Regioselective [2 + 2 + 2] Cycloadditions","Journal of Organic Chemistry","2013","78","","5647","5668","10.1021/jo400695c","","","0.71073","MoKα","","0.0601","0.0459","","","0.1007","0.1074","","","","","","1.139","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028320","8.3331","0.0012","9.4612","0.0015","16.866","0.002","90","","90","","90","","1329.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 -","- C14 H21 N O2 -","- C56 H84 N4 O8 -","4","1","","Changxia Yuan; Chih-Tsung Chang; Dionicio Siegel","Syntheses of (+)-Complanadine A and Lycodine Derivatives by Regioselective [2 + 2 + 2] Cycloadditions","Journal of Organic Chemistry","2013","78","","5647","5668","10.1021/jo400695c","","","0.71075","MoKα","","0.0306","0.0287","","","0.0738","0.0747","","","","","","1.168","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028321","11.6527","0.0014","8.0359","0.001","18.959","0.002","90","","91.457","0.002","90","","1774.7","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Christopher C. Nawrat; Leoni I. Palmer; Alexander J. Blake; Christopher J. Moody","Two Approaches to the Aromatic Core of the Aminonaphthoquinone Antibiotics","Journal of Organic Chemistry","2013","78","","5587","5603","10.1021/jo400737f","","","0.71073","MoKα","","0.0479","0.0393","","","0.112","0.117","","","","","","1.1","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028322","12.618","0.003","14.4435","0.0019","18.344","0.003","90","","95.588","0.014","90","","3327.3","1.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H37 N O6 -","- C40 H37 N O6 -","- C160 H148 N4 O24 -","4","1","","Jingjing Liang; Weimin Hu; Pengyu Tao; Yanxing Jia","Total Synthesis of Dictyodendrins B and E","Journal of Organic Chemistry","2013","78","","5810","5815","10.1021/jo400841d","","","0.71073","MoKα","","0.1306","0.0555","","","0.0898","0.116","","","","","","1.06","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028323","11.9172","0.0016","13.957","0.004","14.318","0.002","104.652","0.018","97.656","0.014","90.99","0.02","2280.3","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H47 Cl2 N2 O7 -","- C54 H47 Cl2 N2 O7 -","- C108 H94 Cl4 N4 O14 -","2","1","","Jingjing Liang; Weimin Hu; Pengyu Tao; Yanxing Jia","Total Synthesis of Dictyodendrins B and E","Journal of Organic Chemistry","2013","78","","5810","5815","10.1021/jo400841d","","","0.71073","MoKα","","0.1036","0.0676","","","0.1263","0.1419","","","","","","1.076","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028324","10.0113","0.0005","11.3161","0.0006","17.9297","0.0009","90","","90","","90","","2031.24","0.18","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O2 S -","- C20 H26 N2 O2 S -","- C80 H104 N8 O8 S4 -","4","1","","Xiang-Wei Liu; Chao Wang; Yan Yan; Yong-Qiang Wang; Jian Sun","An Organocatalyst Bearing Stereogenic Carbon and Sulfur Centers as an Efficient Promoter for Enantioselective Hydrosilylation of 1,4-Benzooxazines","Journal of Organic Chemistry","2013","78","","6276","6280","10.1021/jo400187e","","","0.7107","MoKα","","0.0976","0.054","","","0.1104","0.1285","","","","","","0.993","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028325","19.431","0.005","11.786","0.003","11.53","0.003","90","","102.154","0.004","90","","2581.3","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 S7 Si2 -","- C22 H20 S7 Si2 -","- C88 H80 S28 Si8 -","4","1","","Huiliang Sun; Jianwu Shi; Zilong Zhang; Sheng Zhang; Zhaoli Liang; Shisheng Wan; Yanxiang Cheng; Hua Wang","Synthesis and Structure of Bull's Horn-Shaped Oligothienoacene with Seven Fused Thiophene Rings","Journal of Organic Chemistry","2013","78","","6271","6275","10.1021/jo4002036","","","0.71073","MoKα","","0.0928","0.048","","","0.1032","0.1228","","","","","","0.998","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028326","10.271","0.009","7.222","0.006","19.244","0.016","90","","90","","90","","1427","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Br S3 Si -","- C11 H11 Br S3 Si -","- C44 H44 Br4 S12 Si4 -","4","0.5","","Huiliang Sun; Jianwu Shi; Zilong Zhang; Sheng Zhang; Zhaoli Liang; Shisheng Wan; Yanxiang Cheng; Hua Wang","Synthesis and Structure of Bull's Horn-Shaped Oligothienoacene with Seven Fused Thiophene Rings","Journal of Organic Chemistry","2013","78","","6271","6275","10.1021/jo4002036","","","0.71073","MoKα","","0.0748","0.0507","","","0.1108","0.1145","","","","","","1.103","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028327","14.6149","0.0003","14.4589","0.0003","21.0849","0.0004","90","","109.251","0.008","90","","4206.4","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Ethyl 5-fydroxy-3-oxo-5-phenyl-5-(pyridyn-2-yl)pentanoate zinc complex","","- C40 H46 Br2 N2 O10 Zn3 -","- C40 H46 Br2 N2 O10 Zn3 -","- C160 H184 Br8 N8 O40 Zn12 -","4","1","","Masahiro Mineno; Yasuhiro Sawai; Kazuaki Kanno; Naotaka Sawada; Hideya Mizufune","Double Reformatsky Reaction: Divergent Synthesis of δ-Hydroxy-β-ketoesters","Journal of Organic Chemistry","2013","78","","5843","5850","10.1021/jo400408t","","","1.54187","CuKα","","0.0487","0.045","","","","0.0944","","","","","","1.198","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028328","7.176","0.007","9.371","0.009","23.35","0.02","90","","90","","90","","1570","3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H51 B F2 N2 O -","- C36 H51 B F2 N2 O -","- C72 H102 B2 F4 N4 O2 -","2","1","","Juan O. Flores-Rizo; Ixone Esnal; Carlos A. Osorio-Martínez; César F. A. Gómez-Durán; Jorge Bañuelos; Iñigo López Arbeloa; Keith H. Pannell; Alejandro J. Metta-Magaña; Eduardo Peña-Cabrera","8-Alkoxy- and 8-Aryloxy-BODIPYs: Straightforward Fluorescent Tagging of Alcohols and Phenols","Journal of Organic Chemistry","2013","78","","5867","5877","10.1021/jo400417h","","","0.71073","MoKα","","0.2527","0.1269","","","0.223","0.3782","","","","","","0.786","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028329","7.57","0.017","14.2","0.03","10.9","0.02","90","","106.63","0.05","90","","1123","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H27 B F2 N2 O2 -","- C27 H27 B F2 N2 O2 -","- C54 H54 B2 F4 N4 O4 -","2","1","","Juan O. Flores-Rizo; Ixone Esnal; Carlos A. Osorio-Martínez; César F. A. Gómez-Durán; Jorge Bañuelos; Iñigo López Arbeloa; Keith H. Pannell; Alejandro J. Metta-Magaña; Eduardo Peña-Cabrera","8-Alkoxy- and 8-Aryloxy-BODIPYs: Straightforward Fluorescent Tagging of Alcohols and Phenols","Journal of Organic Chemistry","2013","78","","5867","5877","10.1021/jo400417h","","","0.71073","MoKα","","0.1366","0.0692","","","0.1508","0.1833","","","","","","0.855","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028330","9.8209","0.0013","11.2394","0.0016","13.1369","0.0018","90","","107.284","0.01","90","","1384.6","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H41 N O5 S -","- C30 H41 N O5 S -","- C60 H82 N2 O10 S2 -","2","1","","Remya Ramesh; Pandrangi Siva Swaroop; Rajesh G. Gonnade; Choppari Thirupathi; Rebeccah A. Waterworth; Jocelyn G. Millar; D. Srinivasa Reddy","Syntheses and Determination of Absolute Configurations and Biological Activities of the Enantiomers of the Longtailed Mealybug Pheromone","Journal of Organic Chemistry","2013","78","","6281","6284","10.1021/jo400491n","","","0.71073","MoKα","","0.0954","0.0524","","","0.0902","0.1053","","","","","","0.996","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4028331","16.8116","0.001","10.7857","0.0004","35.2377","0.0017","90","","90","","90","","6389.5","0.5","200","2","200","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C75 H53 B2 Cl3 F4 N10 O6 -","- C74 H52 B2 F4 N10 O6 -","- C296 H208 B8 F16 N40 O24 -","4","0.5","","Hemanta Kalita; Way-Zen Lee; Mangalampalli Ravikanth","Synthesis and Functionalization of BF2-Complexes of meso-Free 25-Oxasmaragdyrin","Journal of Organic Chemistry","2013","78","","6285","6290","10.1021/jo400540u","","","0.71073","MoKα","","0.1387","0.0662","","","0.1279","0.1504","","","","","","0.933","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028332","7.1373","0.0014","8.67","0.0017","11.027","0.002","106.43","0.003","91.316","0.004","103.592","0.003","633.2","0.2","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C28 H30 N6 O4 -","2","1","","Wei-Jen Lo; Yi-Hui Chen; Kuangsen Sung","Twisting-Based Spectroscopic Measure of Solvent Polarity: The PT Scale","Journal of Organic Chemistry","2013","78","","5925","5931","10.1021/jo400586w","","","0.71073","MoKα","","0.0995","0.055","","","0.1355","0.1534","","","","","","1.044","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028333","7.313","0.004","13.882","0.009","13.112","0.007","90","","98.647","0.001","90","","1316","1.3","296","1","296","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 O3 -","- C15 H11 N3 O3 -","- C60 H44 N12 O12 -","4","1","","Wei Zhang; Shaojie Lou; Yunkui Liu; Zhenyuan Xu","Palladium-Catalyzed Chelation-Assisted Aromatic C-H Nitration: Regiospecific Synthesis of Nitroarenes Free from the Effect of the Orientation Rules","Journal of Organic Chemistry","2013","78","","5932","5948","10.1021/jo400594j","","","0.71073","MoKα","","0.0744","0.0375","","","0.0892","0.1333","","","","","","1.001","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028334","9.6961","0.0005","11.2455","0.0006","12.1837","0.0006","104.865","0.004","92.658","0.004","100.365","0.004","1257.07","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 O3 P -","- C31 H27 O3 P -","- C62 H54 O6 P2 -","2","1","","Maozhong Miao; Jian Cao; Xian Huang; Luling Wu","Hydroxyphosphinylation Reaction of 3-Cyclopropylideneprop-2-en-1-ones via C-P σ-Bond Cleavage","Journal of Organic Chemistry","2013","78","","5999","6007","10.1021/jo400610q","","","0.71073","MoKα","","0.0771","0.0486","","","0.1081","0.1265","","","","","","1.03","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028335","9.8264","0.0006","9.845","0.0006","14.8604","0.0009","86.15","0.005","71.839","0.006","81.718","0.005","1351.37","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H33 O P -","- C34 H33 O P -","- C68 H66 O2 P2 -","2","1","","Maozhong Miao; Jian Cao; Xian Huang; Luling Wu","Hydroxyphosphinylation Reaction of 3-Cyclopropylideneprop-2-en-1-ones via C-P σ-Bond Cleavage","Journal of Organic Chemistry","2013","78","","5999","6007","10.1021/jo400610q","","","0.71073","MoKα","","0.0645","0.0443","","","0.0936","0.1042","","","","","","1.03","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028336","9.4609","0.0007","16.387","0.0014","16.619","0.0011","90","","102.115","0.007","90","","2519.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 O4 P -","- C31 H25 O4 P -","- C124 H100 O16 P4 -","4","1","","Maozhong Miao; Jian Cao; Xian Huang; Luling Wu","Hydroxyphosphinylation Reaction of 3-Cyclopropylideneprop-2-en-1-ones via C-P σ-Bond Cleavage","Journal of Organic Chemistry","2013","78","","5999","6007","10.1021/jo400610q","","","0.71073","MoKα","","0.1014","0.0586","","","0.1241","0.1474","","","","","","1.045","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028337","13.6406","0.0018","10.3114","0.0013","11.6169","0.0016","90","","94.785","0.004","90","","1628.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","0.5","","Claudio Martínez; Yichen Wu; Adam B. Weinstein; Shannon S. Stahl; Guosheng Liu; Kilian Muñiz","Palladium-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and the Influence of PhI(OAc)2 on Aminopalladation Stereoselectivity","Journal of Organic Chemistry","2013","78","","6309","6315","10.1021/jo400671q","","","0.71073","MoKα","","0.0688","0.055","","","0.1438","0.1503","","","","","","1.183","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028338","8.7085","0.0016","12.512","0.002","31.644","0.007","90","","90","","90","","3448","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C160 H152 N8 O40 -","8","1","","Claudio Martínez; Yichen Wu; Adam B. Weinstein; Shannon S. Stahl; Guosheng Liu; Kilian Muñiz","Palladium-Catalyzed Intermolecular Aminoacetoxylation of Alkenes and the Influence of PhI(OAc)2 on Aminopalladation Stereoselectivity","Journal of Organic Chemistry","2013","78","","6309","6315","10.1021/jo400671q","","","0.71073","MoKα","","0.1396","0.1143","","","0.226","0.2346","","","","","","1.285","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028339","20.8483","0.0016","10.69","0.0008","13.6039","0.0011","90","","107.394","0.001","90","","2893.2","0.4","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3aS*,4R*,7aS*)-4-(naphthalen-1-yl)hexahydro-2H-thieno[3,2-c]thiopyran","","- C17 H18 S2 -","- C17 H18 S2 -","- C136 H144 S16 -","8","2","","B. V. Subba Reddy; A. Venkateswarlu; Prashant Borkar; J. S. Yadav; M. Kanakaraju; A. C. Kunwar; B. Sridhar","Thia-Prins Bicyclization Approach for the Stereoselective Synthesis of Dithia- and Azathia-Bicycles","Journal of Organic Chemistry","2013","78","","6303","6308","10.1021/jo400680w","","","0.71073","MoKα","","0.0433","0.0357","","","0.0939","0.1003","","","","","","1.033","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028340","10.348","0.009","14.739","0.007","18.51","0.007","98.69","0.03","100.69","0.03","99.92","0.03","2683","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H40 S12 Si4 -","- C46 H40 S12 Si4 -","- C92 H80 S24 Si8 -","2","1","","Xinming Liu; Panpan Yu; Li Xu; Juanjuan Yang; Jianwu Shi; Zhihua Wang; Yanxiang Cheng; Hua Wang","Synthesis for the Mesomer and Racemate of Thiophene-Based Double Helicene under Irradiation","Journal of Organic Chemistry","2013","78","","6316","6321","10.1021/jo400691s","","","0.71073","MoKα","","0.1988","0.0825","","","0.157","0.1985","","","","","","1.087","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028341","9.3785","0.0004","14.7508","0.0005","18.4375","0.0008","90","","90.833","0.003","90","","2550.38","0.18","100","","100","","","","","","","","Synthesized by the authors. See text","3","C 1 c 1","C -2yc","9","","","","- C12 H24 O3 -","- C12 H24 O3 -","- C96 H192 O24 -","8","2","","François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon","A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans","Journal of Organic Chemistry","2013","78","","6075","6103","10.1021/jo400721e","","","1.54178","CuKα","","0.058","0.0507","","","0.1283","0.1329","","","","","","1.108","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028342","18.8892","0.0014","5.0802","0.0003","24.1881","0.0018","90","","99.713","0.004","90","","2287.8","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Br N O4 -","- C24 H30 Br N O4 -","- C96 H120 Br4 N4 O16 -","4","1","","François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon","A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans","Journal of Organic Chemistry","2013","78","","6075","6103","10.1021/jo400721e","","","1.54178","CuKα","","0.1471","0.0888","","","0.2211","0.2509","","","","","","1.034","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028343","15.8103","0.0008","5.1284","0.0003","30.3621","0.0017","90","","95.038","0.002","90","","2452.3","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Br N O4 -","- C26 H34 Br N O4 -","- C104 H136 Br4 N4 O16 -","4","1","","François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon","A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans","Journal of Organic Chemistry","2013","78","","6075","6103","10.1021/jo400721e","","","1.54178","CuKα","","0.0476","0.0388","","","0.1069","0.1116","","","","","","1.026","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028344","5.0201","0.0002","14.0677","0.0006","17.2224","0.0008","91.016","0.002","92.727","0.002","98.655","0.002","1200.67","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C25 H32 Br N O4 -","- C25 H32 Br N O4 -","- C50 H64 Br2 N2 O8 -","2","1","","François Godin; Michel Prévost; Frédérick Viens; Philippe Mochirian; Jean-François Brazeau; Serge I. Gorelsky; Yvan Guindon","A Study of Exocyclic Radical Reductions of Polysubstituted Tetrahydropyrans","Journal of Organic Chemistry","2013","78","","6075","6103","10.1021/jo400721e","","","1.54178","CuKα","","0.0327","0.0318","","","0.0853","0.0863","","","","","","1.045","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028345","5.6775","0.0002","25.0538","0.0008","10.3034","0.0003","90","","103.315","0.001","90","","1426.19","0.08","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 N3 O3 -","- C13 H23 N3 O3 -","- C52 H92 N12 O12 -","4","1","","Amandine Altmayer-Henzien; Valérie Declerck; Denis Merlet; Jean-Pierre Baltaze; Jonathan Farjon; Régis Guillot; David J. Aitken","Solution State Conformational Preferences of Dipeptides Derived from N-Aminoazetidinecarboxylic Acid: An Assessment of the Hydrazino Turn","Journal of Organic Chemistry","2013","78","","6031","6039","10.1021/jo400736t","","x-ray","0.71073","MoKα","","0.0695","0.0432","","","0.1042","0.1169","","","","","","1.037","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028346","6.0714","0.0003","9.9275","0.0004","29.0711","0.0011","90","","90","","90","","1752.23","0.13","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N3 O5 -","- C15 H25 N3 O5 -","- C60 H100 N12 O20 -","4","1","","Amandine Altmayer-Henzien; Valérie Declerck; Denis Merlet; Jean-Pierre Baltaze; Jonathan Farjon; Régis Guillot; David J. Aitken","Solution State Conformational Preferences of Dipeptides Derived from N-Aminoazetidinecarboxylic Acid: An Assessment of the Hydrazino Turn","Journal of Organic Chemistry","2013","78","","6031","6039","10.1021/jo400736t","","","0.71073","MoKα","","0.0492","0.039","","","0.095","0.0999","","","","","","1.049","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028347","5.9436","0.0004","24.018","0.002","5.9435","0.0005","90","","93.857","0.002","90","","846.53","0.12","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H25 N3 O5 -","- C15 H25 N3 O5 -","- C30 H50 N6 O10 -","2","1","","Amandine Altmayer-Henzien; Valérie Declerck; Denis Merlet; Jean-Pierre Baltaze; Jonathan Farjon; Régis Guillot; David J. Aitken","Solution State Conformational Preferences of Dipeptides Derived from N-Aminoazetidinecarboxylic Acid: An Assessment of the Hydrazino Turn","Journal of Organic Chemistry","2013","78","","6031","6039","10.1021/jo400736t","","x-ray","0.71073","MoKα","","0.0378","0.0363","","","0.0908","0.0916","","","","","","1.062","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028348","7.657","0.0015","5.566","0.0011","16.401","0.003","90","","99.53","0.03","90","","689.3","0.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C36 H32 O4 -","2","1","","Jing Wang; Xiaohua Liu; Shunxi Dong; Lili Lin; Xiaoming Feng","Asymmetric Organocatalytic Cyclopropanation of Cinnamone Derivatives with Stabilized Sulfonium Ylides","Journal of Organic Chemistry","2013","78","","6322","6327","10.1021/jo400743b","","","1.54186","CuKα","","0.0492","0.048","","","0.1098","0.1103","","","","","","1.276","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028349","7.6397","0.0002","9.8963","0.0002","20.2534","0.0004","90","","90.154","0.001","90","","1531.25","0.06","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 I N5 -","- C15 H14 I N5 -","- C60 H56 I4 N20 -","4","1","","Pradeep Sadhu; Santhosh Kumar Alla; Tharmalingam Punniyamurthy","Pd(II)-Catalyzed Aminotetrazole-directed Ortho-Selective Halogenation of Arenes","Journal of Organic Chemistry","2013","78","","6104","6111","10.1021/jo400755q","","","0.71073","MoKα","","0.0396","0.0362","","","0.092","0.0938","","","","","","1.156","","","","has coordinates","211178","2020-10-21","18:00:00",""
"4028350","7.7724","0.0013","7.417","0.0006","12.6426","0.0013","90","","104.774","0.014","90","","704.72","0.16","297.1","0.1","297.1","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C30 H36 O12 -","2","1","","Bowen Fang; Xingang Xie; Changgui Zhao; Peng Jing; Huilin Li; Zhengshen Wang; Jixiang Gu; Xuegong She","Asymmetric Total Synthesis of Fusarentin 6-Methyl Ether and Its Biomimetic Transformation into Fusarentin 6,7-Dimethyl Ether, 7-O-Demethylmonocerin, and (+)-Monocerin","Journal of Organic Chemistry","2013","78","","6338","6343","10.1021/jo400760q","","","0.7107","MoKα","","0.0689","0.0475","","","0.0989","0.1137","","","","","","1.055","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028351","7.2522","0.0009","8.037","0.001","16.347","0.002","82.145","0.004","85.415","0.004","75.178","0.004","911.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O6 -","- C22 H16 N2 O6 -","- C44 H32 N4 O12 -","2","1","","Partha Pratim Ghosh; Asish R. Das","Nanocrystalline and Reusable ZnO Catalyst for the Assembly of Densely Functionalized 4H-Chromenes in Aqueous Medium via One-Pot Three Component Reactions: A Greener ""NOSE"" Approach","Journal of Organic Chemistry","2013","78","","6170","6181","10.1021/jo400763z","","","0.71073","MoKα","","0.0737","0.0567","","","0.2046","0.2164","","","","","","1.466","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028352","7.7696","0.0004","12.8766","0.0007","21.506","0.001","93.162","0.004","93.844","0.005","90.531","0.005","2143.3","0.19","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H56 O12 -","- C48 H56 O12 -","- C96 H112 O24 -","2","1","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.0508","0.0434","","0.0799","0.0736","0.0799","","","","","","1.0325","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028353","11.3285","0.0005","12.499","0.0005","25.8161","0.0008","78.786","0.003","82.948","0.003","63.226","0.004","3198.6","0.2","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H42 O9 -","- C36 H42 O9 -","- C144 H168 O36 -","4","2","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.044","0.0396","","0.0754","0.0716","0.0754","","","","","","0.9222","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028354","21.2637","0.0002","13.1046","0.0001","21.9793","0.0002","90","","102.336","0.0008","90","","5983.17","0.09","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H63 Cl9 O15 -","- C60 H63 Cl9 O15 -","- C240 H252 Cl36 O60 -","4","1","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.0569","0.0543","","0.1514","0.1485","0.1514","","","","","","0.9885","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028355","12.429","0.001","12.697","0.001","20.361","0.001","84.869","0.006","82.376","0.006","61.765","0.008","2804.5","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C61 H68 Cl2 O18 -","- C61 H68 Cl2 O18 -","- C122 H136 Cl4 O36 -","2","1","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.0761","0.0637","","0.2174","0.1835","0.2174","","","","","","1.0827","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028356","18.7181","0.0004","12.5131","0.0003","21.9113","0.0006","90","","90.932","0.002","90","","5131.4","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Cl2 O15 -","- C58 H62 Cl2 O15 -","- C232 H248 Cl8 O60 -","4","1","","Thierry Brotin; Dominique Cavagnat; Erwann Jeanneau; Thierry Buffeteau","Synthesis of Highly Substituted Cryptophane Derivatives","Journal of Organic Chemistry","2013","78","","6143","6153","10.1021/jo4007738","","","1.5418","CuKα","","0.0931","0.0783","","0.2487","0.2186","0.2487","","","","","","1.0159","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028357","11.919","0.002","14.984","0.003","16.757","0.003","90","","101.78","0.03","90","","2929.7","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Cl N2 O10 -","- C31 H31 Cl N2 O10 -","- C124 H124 Cl4 N8 O40 -","4","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","0.71073","MoKα","","0.1409","0.1297","","","0.3429","0.3524","","","","","","1.193","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028358","12.278","0.003","14.793","0.003","16.961","0.003","90","","101.51","0.03","90","","3018.6","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl N2 O10 -","- C33 H33 Cl N2 O10 -","- C132 H132 Cl4 N8 O40 -","4","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","0.71073","MoKα","","0.1012","0.0905","","","0.2036","0.2106","","","","","","1.207","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028359","12.096","0.002","16.361","0.003","15.6","0.003","90","","104.3","0.03","90","","2991.6","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl N2 O9 -","- C33 H33 Cl N2 O9 -","- C132 H132 Cl4 N8 O36 -","4","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","0.71073","MoKα","","0.1121","0.0976","","","0.2352","0.2465","","","","","","1.147","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028360","12.346","0.003","16.964","0.003","15.303","0.003","90","","106.25","0.03","90","","3077","1.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Cl N2 O9 -","- C35 H35 Cl N2 O9 -","- C140 H140 Cl4 N8 O36 -","4","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","1.54178","CuKα","","0.1249","0.0923","","","0.2432","0.2611","","","","","","1.046","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028361","11.2476","0.0005","11.9832","0.0006","12.3358","0.0004","81.865","0.003","76.573","0.003","63.038","0.005","1440.16","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 N2 O4 S -","- C31 H30 N2 O4 S -","- C62 H60 N4 O8 S2 -","2","1","","Jianhong Chen; Weimin Liu; Bingjiang Zhou; Guangle Niu; Hongyan Zhang; Jiasheng Wu; Ying Wang; Weigang Ju; Pengfei Wang","Coumarin- and Rhodamine-Fused Deep Red Fluorescent Dyes: Synthesis, Photophysical Properties, and Bioimaging in Vitro","Journal of Organic Chemistry","2013","78","","6121","6130","10.1021/jo400783x","","","0.71073","MoKα","","0.0576","0.0473","","","0.1357","0.142","","","","","","1.086","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028362","8.72","0.002","13.383","0.003","15.606","0.003","115.17","0.03","96.03","0.03","98.19","0.03","1603.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H29 N O4 -","- C12 H23.2 N0.8 O3.2 -","- C60 H116 N4 O16 -","5","2.5","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.1377","0.0538","","","0.1069","0.1291","","","","","","1.069","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028363","30.456","0.006","8.4737","0.0017","13.944","0.003","90","","106.162","0.002","90","","3456.4","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C136 H200 N8 O40 -","8","1","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.1175","0.0748","","","0.1888","0.2145","","","","","","1.038","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028364","8.41","0.005","8.707","0.006","10.62","0.007","101.173","0.006","103.851","0.006","90.396","0.006","739.6","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H25 N O4 -","- C15 H25 N O4 -","- C30 H50 N2 O8 -","2","1","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.0758","0.0462","","","0.1094","0.1266","","","","","","1.048","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028365","8.186","0.016","23.09","0.05","8.398","0.017","90","","118.853","0.018","90","","1390","5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H25 N O3 -","- C15 H25 N O3 -","- C60 H100 N4 O12 -","4","1","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.1266","0.0813","","","0.2102","0.2517","","","","","","1.055","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028366","15.235","0.016","7.7","0.008","14.339","0.015","90","","108.123","0.011","90","","1599","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 N O5 -","- C16 H23 N O5 -","- C64 H92 N4 O20 -","4","1","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.0921","0.0491","","","0.1167","0.139","","","","","","1.031","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028367","9.978","0.006","8.194","0.005","17.056","0.01","90","","95.767","0.007","90","","1387.4","1.4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C56 H92 N4 O16 -","4","2","","Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li","Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids","Journal of Organic Chemistry","2013","78","","6154","6162","10.1021/jo4007943","","","0.71073","MoKα","","0.1468","0.077","","","0.1708","0.2098","","","","","","0.988","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028368","9.884","0.002","10.805","0.002","28.083","0.006","90","","90","","90","","2999.2","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H29 Cl4 O3 P Ru -","- C30 H29 Cl4 O3 P Ru -","- C120 H116 Cl16 O12 P4 Ru4 -","4","1","","Ke Li; Naifu Hu; Renshi Luo; Weicheng Yuan; Wenjun Tang","A Chiral Ruthenium-Monophosphine Catalyst for Asymmetric Addition of Arylboronic Acids to Aryl Aldehydes","Journal of Organic Chemistry","2013","78","","6350","6355","10.1021/jo400850m","","","1.54178","CuKα","","0.031","0.0293","","","0.0704","0.0713","","","","","","1.043","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4028369","14.9082","0.0003","18.0949","0.0003","20.7986","0.0015","90","","90","","90","","5610.7","0.4","153.1","","153.1","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37.36 N O6.18 -","- C30 H37.36 N O6.18 -","- C240 H298.88 N8 O49.44 -","8","2","","Yuta Hashimoto; Kennosuke Itoh; Akikazu Kakehi; Motoo Shiro; Hiroyuki Suga","Diastereoselective Synthesis of Tetrahydrofurans by Lewis Acid Catalyzed Intermolecular Carbenoid-Carbonyl Reaction-Cycloaddition Sequences: Unusual Diastereoselectivity of Lewis Acid Catalyzed Cycloadditions","Journal of Organic Chemistry","2013","78","","6182","6195","10.1021/jo400858u","","","1.54187","CuKα","","","0.0619","","","","0.1601","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028370","19.9063","0.0004","6.7658","0.0002","17.8716","0.0004","90","","101.317","0.0001","90","","2360.18","0.1","100","1","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cl2 O2 -","- C12 H10 Cl2 O2 -","- C96 H80 Cl16 O16 -","8","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.059","0.0454","","","0.1151","0.1289","","","","","","1.07","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028371","7.4703","0.0004","20.2714","0.0011","9.2951","0.0004","90","","124.22","0.003","90","","1163.91","0.11","100","1","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0474","0.0405","","","0.1183","0.125","","","","","","1.057","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028372","7.3159","0.0007","7.9854","0.0007","14.9576","0.0014","81.674","0.002","81.146","0.002","64.453","0.002","775.98","0.12","100","1","100","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O2 -","- C22 H20 O2 -","- C44 H40 O4 -","2","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0463","0.0421","","","0.1208","0.1254","","","","","","1.039","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028373","18.333","0.004","10.937","0.002","31.096","0.006","90","","90","","90","","6235","2","100","1","100","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C304 H320 O48 -","16","2","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0664","0.0451","","","0.1096","0.1256","","","","","","1.039","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028374","8.7207","0.0016","11.945","0.002","41.474","0.007","90","","90.02","0.003","90","","4320.3","1.3","100","1","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C240 H192 O24 -","12","3","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.159","0.0587","","","0.1413","0.191","","","","","","0.962","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028375","7.4789","0.0001","8.308","0.0001","14.567","0.0003","91.789","0.001","95.857","0.001","102.457","0.001","877.87","0.02","100","1","100","","","","","","","","","3","P -1","-P 1","2","","","","- C22 H20 O5 -","- C22 H20 O5 -","- C44 H40 O10 -","2","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0742","0.0517","","","0.115","0.1304","","","","","","1.024","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028376","9.6495","0.0004","9.9895","0.0004","12.536","0.0005","72.726","0.001","82.333","0.001","81.619","0.001","1136.36","0.08","100","1","100","","","","","","","","","3","P -1","-P 1","2","","","","- C31 H22 O4 -","- C31 H22 O4 -","- C62 H44 O8 -","2","1","","Wei Wang; Wen-Jie Zhang; Lei Wang; Ching Kheng Quah; Hoong-Kun Fun; Jian-Hua Xu; Yan Zhang","Photoinduced Reactions of para-Quinones with Bicyclopropylidene Leading to Diverse Polycyclic Compounds with Spirocyclopropanes","Journal of Organic Chemistry","2013","78","","6211","6222","10.1021/jo4008767","","","0.71073","MoKα","","0.0421","0.036","","","0.0939","0.0995","","","","","","1.041","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028377","16.6507","0.0003","8.3279","0.0001","30.7761","0.0005","90","","90","","90","","4267.58","0.12","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C60 H58 -","- C60 H58 -","- C240 H232 -","4","0.5","","Koichi Murayama; Yayoi Sawada; Keiichi Noguchi; Ken Tanaka","Synthesis of Triphenylene Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition: Application to the Synthesis of Highly Fluorescent Triphenylene-Based Long Ladder Molecules","Journal of Organic Chemistry","2013","78","","6202","6210","10.1021/jo4008892","","","1.54187","CuKα","","0.0561","0.0432","","","0.1069","0.1181","","","","","","1.106","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028378","29.1077","0.0005","14.1829","0.0003","31.4298","0.0006","90","","92.468","0.001","90","","12963.2","0.4","193","2","193","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C82 H93 -","- C82 H93 -","- C656 H744 -","8","1","","Koichi Murayama; Yayoi Sawada; Keiichi Noguchi; Ken Tanaka","Synthesis of Triphenylene Derivatives by Rhodium-Catalyzed [2 + 2 + 2] Cycloaddition: Application to the Synthesis of Highly Fluorescent Triphenylene-Based Long Ladder Molecules","Journal of Organic Chemistry","2013","78","","6202","6210","10.1021/jo4008892","","","1.54187","CuKα","","0.0968","0.0791","","","0.2445","0.2726","","","","","","1.122","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028379","6.6358","0.0003","6.8047","0.0004","25.913","0.001","90","","90","","90","","1170.09","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 O3 S -","- C12 H13 O3 S -","- C48 H52 O12 S4 -","4","1","","Gang Wang; Xia Chen; Gaohan Miao; Weijun Yao; Cheng Ma","Divergent NHC-Catalyzed Oxidative Transformations of 3-Bromoenal: Selective Synthesis of 2H-Pyran-2-ones and Chiral Dihydropyranones","Journal of Organic Chemistry","2013","78","","6223","6232","10.1021/jo400950j","","","0.71073","MoKα","","0.0704","0.0602","","","0.1813","0.1921","","","","","","1.104","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028380","14.8975","0.0016","7.3862","0.0004","30.776","0.003","90","","97.729","0.008","90","","3355.7","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32.75 H46.75 Cl2.25 N2 O4 -","- C32.75 H46.75 Cl2.25 N2 O4 -","- C131 H187 Cl9 N8 O16 -","4","1","","Mario Uosis-Martin; G. Dan Pantoş; Mary F. Mahon; Simon E. Lewis","A Model System for the Synthesis of Complanadine Alkaloids by ""Diverted Kondrat'eva"" Oxazole-Olefin Cycloaddition","Journal of Organic Chemistry","2013","78","","6253","6263","10.1021/jo401014n","","","1.54184","CuKα","","0.1397","0.1043","","","0.2796","0.3348","","","","","","1.108","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028381","12.8334","0.0002","7.98785","0.00014","20.8843","0.0004","90","","99.1302","0.0009","90","","2113.75","0.06","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F4 N2 O3 S -","- C24 H18 F4 N2 O3 S -","- C96 H72 F16 N8 O12 S4 -","4","1","","Hidetsugu Tabata; Tetsuya Yoneda; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Stereochemistry of 1,5-Benzothiazepin-4-oneS-Oxide: Insight into the Stereogenic Elements at the Sulfur Atom and Axis","Journal of Organic Chemistry","2013","78","","6264","6270","10.1021/jo401020y","","","1.54187","CuKα","","","0.0429","","","","0.1198","","","","","","1.585","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028382","12.4476","0.0002","25.601","0.0004","8.0385","0.0001","90","","94.393","","90","","2554.11","0.07","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 F4 N2 O4 S -","- C24 H18 F4 N2 O4 S -","- C96 H72 F16 N8 O16 S4 -","4","1","","Hidetsugu Tabata; Tetsuya Yoneda; Tetsuta Oshitari; Hideyo Takahashi; Hideaki Natsugari","Stereochemistry of 1,5-Benzothiazepin-4-oneS-Oxide: Insight into the Stereogenic Elements at the Sulfur Atom and Axis","Journal of Organic Chemistry","2013","78","","6264","6270","10.1021/jo401020y","","","1.54187","CuKα","","","0.1517","","","","0.3664","","","","","","3.496","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028383","17.2631","0.0012","35.327","0.003","8.9843","0.0006","90","","90","","90","","5479.1","0.7","200","2","200","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C30 H32 N4 O3 -","- C30 H32 N4 O3 -","- C240 H256 N32 O24 -","8","","","Shokoofeh Maghari; Sorour Ramezanpour; Saeed Balalaie; Fatemeh Darvish; Frank Rominger; Hamid Reza Bijanzadeh","Synthesis of Functionalized Pseudopeptides through Five-Component Sequential Ugi/Nucleophilic Reaction of N-Substituted 2-Alkynamides with Hydrazides","Journal of Organic Chemistry","2013","78","","6450","6456","10.1021/jo4003294","","","0.71073","MoKα","","0.0459","0.0376","","","0.0951","0.1","","","","","","1.075","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028384","24.0196","0.0012","7.2186","0.0004","9.3086","0.0005","90","","99.49","0.001","90","","1591.91","0.15","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H20 N2 O2 -","- C19 H20 N2 O2 -","- C76 H80 N8 O8 -","4","1","","Chitra R. Edwankar; Rahul V. Edwankar; Ojas A. Namjoshi; Xuebin Liao; James M. Cook","Stereospecific Approach to the Synthesis of Ring-A Oxygenated Sarpagine Indole Alkaloids. Total Synthesis of the Dimeric Indole Alkaloid P-(+)-Dispegatrine and Six Other Monomeric Indole Alkaloids","Journal of Organic Chemistry","2013","78","","6471","6487","10.1021/jo400469t","","","0.71073","MoKα","","0.0345","0.0339","","","0.0928","0.0934","","","","","","0.861","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028385","8.2247","0.0004","12.0571","0.0006","26.649","0.001","90","","90","","90","","2642.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H31 I N2 O5 -","- C27 H31 I N2 O5 -","- C108 H124 I4 N8 O20 -","4","1","","Chitra R. Edwankar; Rahul V. Edwankar; Ojas A. Namjoshi; Xuebin Liao; James M. Cook","Stereospecific Approach to the Synthesis of Ring-A Oxygenated Sarpagine Indole Alkaloids. Total Synthesis of the Dimeric Indole Alkaloid P-(+)-Dispegatrine and Six Other Monomeric Indole Alkaloids","Journal of Organic Chemistry","2013","78","","6471","6487","10.1021/jo400469t","","","0.71073","MoKα","","0.0315","0.0301","","","0.075","0.0756","","","","","","1.071","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028386","18.5929","0.0017","18.5929","0.0017","14.0338","0.0005","90","","90","","120","","4201.5","0.6","292","0.2","292","0.2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C21 H19 Br2 N O6 -","- C21 H19 Br2 N O6 -","- C126 H114 Br12 N6 O36 -","6","1","","Zhen-Xin Jia; Yong-Chun Luo; Xi-Na Cheng; Peng-Fei Xu; Yu-Cheng Gu","Organocatalyzed Michael-Michael Cascade Reaction: Asymmetric Synthesis of Polysubstituted Chromans","Journal of Organic Chemistry","2013","78","","6488","6494","10.1021/jo400476b","","","1.5418","CuKα","","0.0488","0.0366","","","0.1032","0.113","","","","","","0.938","","","","has coordinates,has disorder","178462","2020-10-21","18:00:00",""
"4028387","10.7896","0.0003","8.387","0.0002","21.8671","0.0005","90","","96.133","0.002","90","","1967.48","0.09","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 O P -","- C27 H19 O P -","- C108 H76 O4 P4 -","4","1","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0782","0.0459","","","0.1203","0.1406","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028388","21.6911","0.0005","11.2523","0.0003","7.7378","0.0002","90","","102.734","0.002","90","","1842.15","0.08","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C25 H19 O P -","- C25 H19 O P -","- C100 H76 O4 P4 -","4","1","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0335","0.0301","","","0.0738","0.076","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028389","7.8304","0.0001","22.5042","0.0002","21.5517","0.0003","90","","91.894","0.001","90","","3795.7","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 O2 P -","- C23 H21 O2 P -","- C184 H168 O16 P8 -","8","2","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0995","0.0724","","","0.1756","0.19","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028390","7.9797","0.0003","10.5497","0.0003","20.7707","0.0007","100.503","0.002","91.237","0.002","90.268","0.002","1718.79","0.1","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C23 H17 O P -","- C23 H17 O P -","- C92 H68 O4 P4 -","4","2","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.1006","0.0591","","","0.1298","0.1466","","","","","","1.072","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028391","12.9383","0.0003","9.6592","0.0003","14.2936","0.0004","90","","100.965","0.001","90","","1753.71","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H19 O P -","- C24 H19 O P -","- C96 H76 O4 P4 -","4","1","","Chris W. D. Gallop; Mariusz Bobin; Petra Hourani; Jessica Dwyer; S. Mark Roe; Eddy M. E. Viseux","Investigation of the Reductive Cleavage of BINAP and Application to the Rapid Synthesis of Phospholes","Journal of Organic Chemistry","2013","78","","6522","6528","10.1021/jo4006393","","x-ray","0.71073","MoKα","","0.0688","0.0563","","","0.1309","0.1367","","","","","","1.101","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028392","9.0028","0.0009","22.187","0.002","9.7931","0.001","90","","110.278","0.002","90","","1834.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C68 H96 Br4 N4 O8 -","4","2","","Xiao-Fei Yang; Wei-Hua Yu; Chang-Hua Ding; Qiu-Ping Ding; Shi-Li Wan; Xue-Long Hou; Li-Xin Dai; Pin-Jie Wang","Palladium-Catalyzed Regio-, Diastereo-, and Enantioselective Allylation of Nitroalkanes with Monosubstituted Allylic Substrates","Journal of Organic Chemistry","2013","78","","6503","6509","10.1021/jo400663d","","","0.71073","MoKα","","0.0932","0.0463","","","0.1067","0.1265","","","","","","0.978","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028393","5.8114","0.0005","10.6834","0.0009","32.091","0.003","90","","90","","90","","1992.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 Fe2 O2 S2 -","- C22 H22 Fe2 O2 S2 -","- C88 H88 Fe8 O8 S8 -","4","1","","Noureddine Khiar; Álvaro Salvador; Victoria Valdivia; Ahmed Chelouan; Ana Alcudia; Eleuterio Álvarez; Inmaculada Fernández","Flexible C2-Symmetric Bis-Sulfoxides as Ligands in Enantioselective 1,4-Addition of Boronic Acids to Electron-Deficient Alkenes","Journal of Organic Chemistry","2013","78","","6510","6521","10.1021/jo400700m","","","0.71073","MoKα","","0.027","0.0241","","","0.0571","0.0584","","","","","","1.052","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028394","11.118","0.003","11.118","0.003","34.896","0.013","90","","90","","90","","4313","2","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C44 H44 Cl2 Fe4 O4 Rh2 S4 -","- C44 H44 Cl2 Fe4 O4 Rh2 S4 -","- C176 H176 Cl8 Fe16 O16 Rh8 S16 -","4","0.5","","Noureddine Khiar; Álvaro Salvador; Victoria Valdivia; Ahmed Chelouan; Ana Alcudia; Eleuterio Álvarez; Inmaculada Fernández","Flexible C2-Symmetric Bis-Sulfoxides as Ligands in Enantioselective 1,4-Addition of Boronic Acids to Electron-Deficient Alkenes","Journal of Organic Chemistry","2013","78","","6510","6521","10.1021/jo400700m","","","0.71073","MoKα","","0.0631","0.0362","","","0.0652","0.0878","","","","","","1.146","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028395","11.2336","0.0007","6.569","0.0005","23.8716","0.0019","90","","102.137","0.003","90","","1722.2","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 Cl N O4 -","- C17 H24 Cl N O4 -","- C68 H96 Cl4 N4 O16 -","4","2","","Sarvesh Kumar; Paul D. Thornton; Thomas O. Painter; Prashi Jain; Jared Downard; Justin T. Douglas; Conrad Santini","Synthesis of a Family of Spirocyclic Scaffolds: Building Blocks for the Exploration of Chemical Space","Journal of Organic Chemistry","2013","78","","6529","6539","10.1021/jo400738b","","","1.54178","CuKα","","0.0597","0.0454","","","0.1029","0.109","","","","","","1.05","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028396","6.0662","0.0002","8.1707","0.0002","16.892","0.0005","103.88","0.002","92.202","0.002","95.783","0.002","806.97","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cl N O4 -","- C16 H22 Cl N O4 -","- C32 H44 Cl2 N2 O8 -","2","1","","Sarvesh Kumar; Paul D. Thornton; Thomas O. Painter; Prashi Jain; Jared Downard; Justin T. Douglas; Conrad Santini","Synthesis of a Family of Spirocyclic Scaffolds: Building Blocks for the Exploration of Chemical Space","Journal of Organic Chemistry","2013","78","","6529","6539","10.1021/jo400738b","","","1.54178","CuKα","","0.0372","0.0341","","","0.089","0.0914","","","","","","1.041","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028397","7.9645","0.0005","10.1854","0.0007","11.7036","0.0008","83.261","0.001","79.546","0.001","78.393","0.001","911.34","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-Fluoro-3,3-dimethyl-1,3-dihydro-1λ^3^-benzo[<i>d</i>][1,2]iodoxole","","- C9 H10 F I O -","- C9 H10 F I O -","- C36 H40 F4 I4 O4 -","4","2","","Václav Matoušek; Ewa Pietrasiak; Rino Schwenk; Antonio Togni","One-Pot Synthesis of Hypervalent Iodine Reagents for Electrophilic Trifluoromethylation","Journal of Organic Chemistry","2013","78","","6763","6768","10.1021/jo400774u","","","0.71073","MoKα","","0.0341","0.0226","","","0.0445","0.0474","","","","","","1.02","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028398","13.1415","0.0013","11.408","0.0011","9.324","0.0009","90","","107.601","0.002","90","","1332.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 N6 O6 S -","- C12 H4 N6 O6 S -","- C48 H16 N24 O24 S4 -","4","1","","Leticia A. Montoya; Taylor F. Pearce; Ryan J. Hansen; Lev N. Zakharov; Michael D. Pluth","Development of Selective Colorimetric Probes for Hydrogen Sulfide Based on Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","6550","6557","10.1021/jo4008095","","","0.71073","MoKα","","0.036","0.0319","","","0.0825","0.0863","","","","","","1.054","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028399","9.663","0.003","10.404","0.003","24.867","0.006","90.607","0.004","90.794","0.004","99.582","0.004","2464.6","1.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H52 Cl4 N4 S2 -","- C54 H52 Cl4 N4 S2 -","- C108 H104 Cl8 N8 S4 -","2","1","","Ramachandra Reddy Donthiri; Venkatanarayana Pappula; Darapaneni Chandra Mohan; Hiren H. Gaywala; Subbarayappa Adimurthy","Sodium Hydroxide Catalyzed N-Alkylation of (Hetero) Aromatic Primary Amines and N1,C5-Dialkylation of 4-Phenyl-2-aminothiazoles with Benzyl Alcohols","Journal of Organic Chemistry","2013","78","","6775","6781","10.1021/jo400834h","","","0.71073","MoKα","","0.0752","0.0655","","","0.165","0.1719","","","","","","1.049","","","","has coordinates","178462","2020-10-21","18:00:00",""
"4028400","12.9484","0.0006","9.9797","0.0003","11.131","0.0004","90","","113.437","0.005","90","","1319.69","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N O4 S -","- C10 H20 N O4 S -","- C40 H80 N4 O16 S4 -","4","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0508","0.0405","","","0.1059","0.1126","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028401","6.3108","0.0003","21.6752","0.0008","11.2066","0.0005","90","","119.167","0.003","90","","1338.56","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H21 N2 O3 S -","- C10 H21 N2 O3 S -","- C40 H84 N8 O12 S4 -","4","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0412","0.0383","","","0.1241","0.1269","","","","","","1.185","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028402","7.8821","0.0008","11.6183","0.0007","10.8273","0.0008","90","","111.059","0.01","90","","925.3","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H33 N3 O2 -","- C17 H33 N3 O2 -","- C34 H66 N6 O4 -","2","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0427","0.0386","","","0.1015","0.1046","","","","","","1.046","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028403","11.8431","0.0001","11.8431","0.0001","19.1284","0.0004","90","","90","","90","","2682.93","0.06","293","2","293","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C20 H39 N3 O4 -","- C10 H19.5 N1.5 O2 -","- C80 H156 N12 O16 -","8","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","1.54184","CuKα","","0.0397","0.037","","","0.1086","0.1114","","","","","","1.095","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028404","41.4219","0.0012","21.0998","0.0006","10.1443","0.0003","90","","90","","90","","8866.1","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C19 H37 N3 O4 S -","- C19 H37 N3 O4 S -","- C304 H592 N48 O64 S16 -","16","1","","Miroslav Kavala; Roman Boča; Lubomír Dlháň; Vlasta Brezová; Martin Breza; Jozef Kožíšek; Marek Fronc; Peter Herich; Lubomír Švorc; Peter Szolcsányi","Preparation and Spectroscopic, Magnetic, and Electrochemical Studies of Mono-/Biradical TEMPO Derivatives","Journal of Organic Chemistry","2013","78","","6558","6569","10.1021/jo400845m","","","0.71073","MoKα","","0.0357","0.0351","","","0.0961","0.0967","","","","","","1.043","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028405","7.0843","0.0005","8.9087","0.0006","24.7678","0.0018","88.059","0.0008","89.276","0.0009","88.0016","0.0009","1561.19","0.19","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C25 H44 N4 O7 Si2 -","- C25 H44 N4 O7 Si2 -","- C50 H88 N8 O14 Si4 -","2","2","","Vi Tuong Tran; K. A. Woerpel","Nucleophilic Addition to Silyl-Protected Five-Membered Ring Oxocarbenium Ions Governed by Stereoelectronic Effects","Journal of Organic Chemistry","2013","78","","6609","6621","10.1021/jo400945j","","","0.71073","MoKα","","0.0498","0.0464","","","0.1216","0.1251","","","","","","1.018","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028406","24.0157","0.0013","8.1309","0.0004","16.5638","0.0009","90","","100.094","0.001","90","","3184.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 N4 O7 Si2 -","- C26.0016 H46.0036 N4 O7 Si2 -","- C104.006 H184.014 N16 O28 Si8 -","4","1","","Vi Tuong Tran; K. A. Woerpel","Nucleophilic Addition to Silyl-Protected Five-Membered Ring Oxocarbenium Ions Governed by Stereoelectronic Effects","Journal of Organic Chemistry","2013","78","","6609","6621","10.1021/jo400945j","","","0.71073","MoKα","","0.0511","0.0436","","","0.1115","0.1167","","","","","","1.067","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028407","22.418","0.006","7.659","0.0019","18.298","0.005","90","","100.87","0.004","90","","3085.4","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 N4 O8 Si2 -","- C26 H44 N4 O8 Si2 -","- C104 H176 N16 O32 Si8 -","4","1","","Vi Tuong Tran; K. A. Woerpel","Nucleophilic Addition to Silyl-Protected Five-Membered Ring Oxocarbenium Ions Governed by Stereoelectronic Effects","Journal of Organic Chemistry","2013","78","","6609","6621","10.1021/jo400945j","","","0.71073","MoKα","","0.1617","0.0933","","","0.2181","0.2357","","","","","","1.033","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028408","11.3784","0.0019","5.7382","0.0008","13.148","0.003","90","","114.27","0.02","90","","782.6","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","aminopropenol","Heterocycles","","- C22 H17 N O -","- C22 H17 N O -","- C44 H34 N2 O2 -","2","1","","Akhilesh K. Verma; Deepak Choudhary; Rakesh K. Saunthwal; Vineeta Rustagi; Monika Patel; Rakesh K. Tiwari","On Water: Silver-Catalyzed Domino Approach for the Synthesis of Benzoxazine/Oxazine-Fused Isoquinolines and Naphthyridines from o-Alkynyl Aldehydes","Journal of Organic Chemistry","2013","78","","6657","6669","10.1021/jo4009639","","","0.71073","MoKα","","0.0664","0.0503","","","0.105","0.1157","","","","","","1.055","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028409","9.0484","0.0002","12.2605","0.0004","11.764","0.0003","90","","100.383","0.003","90","","1283.7","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Compound-9","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Pravat Mondal; Narshinha P. Argade","Enantioselective Total Synthesis of Desbromoarborescidines A-C and the Formal Synthesis of (S)-Deplancheine","Journal of Organic Chemistry","2013","78","","6802","6808","10.1021/jo401079v","","","0.7107","MoKα","","0.0606","0.0509","","","0.1604","0.1717","","","","","","1.168","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028410","8.1929","0.0012","12.7166","0.0019","12.7229","0.0019","108.994","0.002","94.057","0.002","96.092","0.002","1238.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl N3 O -","- C12 H14 Cl N3 O -","- C48 H56 Cl4 N12 O4 -","4","2","","Tjøstil Vlaar; Pieter Mampuys; Madeleine Helliwell; Bert U. W. Maes; Romano V. A. Orru; Eelco Ruijter","Multicomponent Synthesis of 4-Aminophthalazin-1(2H)-ones by Palladium-Catalyzed Isocyanide Insertion","Journal of Organic Chemistry","2013","78","","6735","6745","10.1021/jo401131p","","","0.71073","MoKα","","0.0413","0.0377","","","0.0966","0.0993","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028412","6.2411","0.0004","15.4844","0.0009","22.3655","0.0015","90","","90","","90","","2161.4","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 F2 N O4 -","- C24 H23 F2 N O4 -","- C96 H92 F8 N4 O16 -","4","1","","Marcin Śnieżek; Sebastian Stecko; Irma Panfil; Bartłomiej Furman; Marek Chmielewski","Total Synthesis of Ezetimibe, a Cholesterol Absorption Inhibitor","Journal of Organic Chemistry","2013","78","","7048","7057","10.1021/jo400807c","","","1.54178","CuKα","","0.062","0.0407","","","0.0923","0.1053","","","","","","1.038","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028413","7.845","0.0002","11.3855","0.0003","27.6202","0.0007","90","","90","","90","","2467.02","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H25 F2 N O3 -","- C31 H25 F2 N O3 -","- C124 H100 F8 N4 O12 -","4","1","","Marcin Śnieżek; Sebastian Stecko; Irma Panfil; Bartłomiej Furman; Marek Chmielewski","Total Synthesis of Ezetimibe, a Cholesterol Absorption Inhibitor","Journal of Organic Chemistry","2013","78","","7048","7057","10.1021/jo400807c","","","1.54178","CuKα","","0.044","0.0349","","","0.0881","0.0944","","","","","","1.041","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028414","10.7715","0.0005","9.7199","0.0005","12.6088","0.0007","90","","104.709","0.004","90","","1276.85","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H25 F2 N O4 -","- C31 H25 F2 N O4 -","- C62 H50 F4 N2 O8 -","2","1","","Marcin Śnieżek; Sebastian Stecko; Irma Panfil; Bartłomiej Furman; Marek Chmielewski","Total Synthesis of Ezetimibe, a Cholesterol Absorption Inhibitor","Journal of Organic Chemistry","2013","78","","7048","7057","10.1021/jo400807c","","","1.54178","CuKα","","0.1011","0.0699","","","0.1645","0.1896","","","","","","1.245","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028415","5.5792","0.0007","7.6582","0.0004","14.7901","0.0014","90","","90","","90","","631.93","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H5 N5 O -","- C5 H5 N5 O -","- C20 H20 N20 O4 -","4","1","","Tatyana S. Shestakova; Zakhar O. Shenkarev; Sergey L. Deev; Oleg N. Chupakhin; Igor A. Khalymbadzha; Vladimir L. Rusinov; Alexander S. Arseniev","Long-Range 1H-15N J Couplings Providing a Method for Direct Studies of the Structure and Azide-Tetrazole Equilibrium in a Series of Azido-1,2,4-triazines and Azidopyrimidines","Journal of Organic Chemistry","2013","78","","6975","6982","10.1021/jo4008207","","","0.71073","MoKα","","0.0423","0.0292","","","0.0711","0.073","","","","","","1","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028416","10.4","0.001","19.0495","0.0017","7.6075","0.0007","90","","90","","90","","1507.2","0.2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H27 Li N2 O2 -","- C12 H27 Li N2 O2 -","- C48 H108 Li4 N8 O8 -","4","1","","Chicheung Su; Russell Hopson; Paul G. Williard","Crystal Structure and Solution State Characterization of Lithium (S)-(1-(Bis(2-methoxyethyl)amino)-3-methylbutan-2-yl)(methyl)amide","Journal of Organic Chemistry","2013","78","","7288","7292","10.1021/jo400839q","","","0.71073","","","0.0448","0.0388","","","0.1005","0.1069","","","","","","1.054","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028417","7.643","0.0015","11.316","0.002","15.823","0.003","90","","90","","90","","1368.5","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C52 H80 O20 -","4","1","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.0354","0.0347","","","0.0913","0.0923","","","","","","1.09","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028418","7.2552","0.0015","5.7296","0.0011","14.708","0.003","90","","98.35","0.03","90","","604.9","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C24 H36 O10 -","2","1","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.0584","0.0576","","","0.1474","0.1496","","","","","","1.058","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028419","5.336","","25.071","","29.472","","90","","90","","90","","3942.73","","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C144 H240 O48 -","12","3","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.144","0.075","","","0.1743","0.2226","","","","","","1.053","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028420","8.535","0.001","5.571","0.001","13.141","0.001","90","","91.78","0.001","90","","624.53","0.14","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C24 H40 O8 -","2","1","","Peng Sun; Dong-Xiao Xu; Attila Mándi; Tibor Kurtán; Tie-Jun Li; Barbara Schulz; Wen Zhang","Structure, Absolute Configuration, and Conformational Study of 12-Membered Macrolides from the Fungus Dendrodochium sp. Associated with the Sea Cucumber Holothuria nobilis Selenka","Journal of Organic Chemistry","2013","78","","7030","7047","10.1021/jo400861j","","","1.54178","CuKα","","0.0733","0.0707","","","0.2167","0.223","","","","","","1.082","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028421","10.0993","0.0011","9.4276","0.0009","14.6656","0.0011","90","","90.076","0.006","90","","1396.3","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3S,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl) -2-borane-2-ethoxy-1,2-oxaphosphinan-3-ol","","- C28 H36 B O6 P -","- C28 H36 B O6 P -","- C56 H72 B2 O12 P2 -","2","1","","Angélique Ferry; Gaëlle Malik; Pascal Retailleau; Xavier Guinchard; David Crich","Alternative Synthesis of P-Chiral Phosphonite-Borane Complexes: Application to the Synthesis of Phostone-Phostone Dimers","Journal of Organic Chemistry","2013","78","","6858","6867","10.1021/jo400864s","","","1.54187","CuKα","","0.0412","0.0354","","","0.0873","0.0976","","","","","","1.09","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028422","11.0937","0.001","10.0847","0.0009","12.7293","0.0011","90","","105.853","0.007","90","","1369.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3R,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl) -2-borane-2-methoxy-1,2-oxaphosphinan-3-ol","","- C27 H34 B O6 P -","- C27 H34 B O6 P -","- C54 H68 B2 O12 P2 -","2","1","","Angélique Ferry; Gaëlle Malik; Pascal Retailleau; Xavier Guinchard; David Crich","Alternative Synthesis of P-Chiral Phosphonite-Borane Complexes: Application to the Synthesis of Phostone-Phostone Dimers","Journal of Organic Chemistry","2013","78","","6858","6867","10.1021/jo400864s","","","1.54187","CuKα","","0.1022","0.0669","","","0.1492","0.201","","","","","","1.137","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028423","9.9154","0.0007","9.5092","0.0006","14.515","0.0011","90","","91.09","0.006","90","","1368.34","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2S,3S,4S,5S,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)methyl) -2-borane-2-methoxy-1,2-oxaphosphinan-3-ol","","- C27 H34 B O6 P -","- C27 H34 B O6 P -","- C54 H68 B2 O12 P2 -","2","1","","Angélique Ferry; Gaëlle Malik; Pascal Retailleau; Xavier Guinchard; David Crich","Alternative Synthesis of P-Chiral Phosphonite-Borane Complexes: Application to the Synthesis of Phostone-Phostone Dimers","Journal of Organic Chemistry","2013","78","","6858","6867","10.1021/jo400864s","","","1.54187","CuKα","","0.0681","0.0427","","","0.0982","0.1322","","","","","","1.142","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028424","10.7117","0.0004","7.4436","0.0002","13.429","0.0005","90","","99.092","0.002","90","","1057.29","0.06","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 F N O5 S -","- C21 H24 F N O5 S -","- C42 H48 F2 N2 O10 S2 -","2","1","","Mari Fe Flores; Pilar García-García; Narciso M. Garrido; Isidro S. Marcos; Francisca Sanz-González; David Díez","Domino Elimination/Nucleophilic Addition in the Synthesis of Chiral Pyrrolidines","Journal of Organic Chemistry","2013","78","","7068","7075","10.1021/jo400873c","","","1.54178","CuKα","","0.034","0.0317","","","0.0722","0.0738","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028425","10.3409","0.0003","10.4801","0.0004","15.8279","0.0005","85.762","0.003","88.992","0.003","73.461","0.003","1639.85","0.1","115","0.2","115","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 B F4 Ir N4 O2 -","- C36 H36 B F4 Ir N4 O2 -","- C72 H72 B2 F8 Ir2 N8 O4 -","2","1","","Phillip L. van der Peet; Timothy U. Connell; Christian Gunawan; Jonathan M. White; Paul S. Donnelly; Spencer J. Williams","A Click Chemistry Approach to 5,5'-Disubstituted-3,3'-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes","Journal of Organic Chemistry","2013","78","","7298","7304","10.1021/jo4008755","","","0.7107","MoKα","","0.0376","0.0337","","","0.0807","0.0831","","","","","","1.039","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028426","5.8521","0.0002","8.9267","0.0003","13.1255","0.0005","98.92","0.003","91.029","0.003","96.137","0.003","673.08","0.04","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O2 -","- C18 H12 N2 O2 -","- C36 H24 N4 O4 -","2","1","","Phillip L. van der Peet; Timothy U. Connell; Christian Gunawan; Jonathan M. White; Paul S. Donnelly; Spencer J. Williams","A Click Chemistry Approach to 5,5'-Disubstituted-3,3'-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes","Journal of Organic Chemistry","2013","78","","7298","7304","10.1021/jo4008755","","","1.5418","CuKα","","0.0334","0.0324","","","0.0867","0.0878","","","","","","1.048","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028427","13.547","0.0002","14.1554","0.0002","19.7922","0.0003","90","","96.101","0.002","90","","3773.92","0.1","130","0.2","130","0.2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 B Cl2 F4 Ir N4 O2 -","- C41 H30 B Cl2 F4 Ir N4 O2 -","- C164 H120 B4 Cl8 F16 Ir4 N16 O8 -","4","1","","Phillip L. van der Peet; Timothy U. Connell; Christian Gunawan; Jonathan M. White; Paul S. Donnelly; Spencer J. Williams","A Click Chemistry Approach to 5,5'-Disubstituted-3,3'-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes","Journal of Organic Chemistry","2013","78","","7298","7304","10.1021/jo4008755","","","0.7107","MoKα","","0.0421","0.0295","","","0.0607","0.0664","","","","","","1.018","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028428","21.8354","0.0007","12.8132","0.0004","7.0674","0.0002","90","","92.155","0.003","90","","1975.93","0.1","130","0.2","130.2","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Br N2 O5 Re -","- C21 H12 Br N2 O5 Re -","- C84 H48 Br4 N8 O20 Re4 -","4","1","","Phillip L. van der Peet; Timothy U. Connell; Christian Gunawan; Jonathan M. White; Paul S. Donnelly; Spencer J. Williams","A Click Chemistry Approach to 5,5'-Disubstituted-3,3'-Bisisoxazoles from Dichloroglyoxime and Alkynes: Luminescent Organometallic Iridium and Rhenium Bisisoxazole Complexes","Journal of Organic Chemistry","2013","78","","7298","7304","10.1021/jo4008755","","","1.5418","CuKα","","0.047","0.0431","","","0.1173","0.1193","","","","","","1.087","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028429","7.409","0.002","9.477","0.002","16.798","0.004","90","","93.504","0.015","90","","1177.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 B Cl F2 N2 O -","- C12 H8 B Cl F2 N2 O -","- C48 H32 B4 Cl4 F8 N8 O4 -","4","1","","Yasuhiro Kubota; Yousuke Ozaki; Kazumasa Funabiki; Masaki Matsui","Synthesis and Fluorescence Properties of Pyrimidine Mono- and Bisboron Complexes","Journal of Organic Chemistry","2013","78","","7058","7067","10.1021/jo400879g","","","0.71075","MoKα","","0.0771","0.0495","","","0.1131","0.1274","","","","","","1.055","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028430","8.092","0.003","18.482","0.005","10.059","0.004","90","","109.344","0.015","90","","1419.5","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 B Cl F5 N2 O -","- C13 H7 B Cl F5 N2 O -","- C52 H28 B4 Cl4 F20 N8 O4 -","4","1","","Yasuhiro Kubota; Yousuke Ozaki; Kazumasa Funabiki; Masaki Matsui","Synthesis and Fluorescence Properties of Pyrimidine Mono- and Bisboron Complexes","Journal of Organic Chemistry","2013","78","","7058","7067","10.1021/jo400879g","","","0.71075","MoKα","","0.0779","0.0609","","","0.1538","0.167","","","","","","1.069","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028431","6.6641","0.0009","9.977","0.003","11.0105","0.0019","88.7","0.03","78.29","0.02","89.33","0.02","716.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H13 B Cl F2 N3 O -","- C14 H13 B Cl F2 N3 O -","- C28 H26 B2 Cl2 F4 N6 O2 -","2","1","","Yasuhiro Kubota; Yousuke Ozaki; Kazumasa Funabiki; Masaki Matsui","Synthesis and Fluorescence Properties of Pyrimidine Mono- and Bisboron Complexes","Journal of Organic Chemistry","2013","78","","7058","7067","10.1021/jo400879g","","","0.71075","MoKα","","0.056","0.0406","","","0.095","0.1039","","","","","","1.034","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028432","7.175","0.007","7.22","0.007","17.702","0.017","90","","94.824","0.013","90","","913.8","1.5","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C20 H14 B2 F4 N2 O2 -","- C20 H14 B2 F4 N2 O2 -","- C40 H28 B4 F8 N4 O4 -","2","0.5","","Yasuhiro Kubota; Yousuke Ozaki; Kazumasa Funabiki; Masaki Matsui","Synthesis and Fluorescence Properties of Pyrimidine Mono- and Bisboron Complexes","Journal of Organic Chemistry","2013","78","","7058","7067","10.1021/jo400879g","","","0.71075","MoKα","","0.0774","0.0513","","","0.1155","0.1294","","","","","","1.044","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028433","9.0559","0.0003","6.2328","0.0001","12.1773","0.0003","90","","103.658","0.0015","90","","667.9","0.03","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.0326","0.0282","","0.0693","0.068","0.0693","","","","","","0.9277","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028434","8.6862","0.0001","11.1107","0.0002","26.1274","0.0004","90","","90","","90","","2521.55","0.07","200","","200","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","2","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.0429","0.0356","","0.0901","0.0876","0.0901","","","","","","0.9581","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028435","7.825","0.0002","8.9113","0.0002","18.7892","0.0005","90","","90","","90","","1310.19","0.06","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","1","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.0415","0.0332","","0.0823","0.0806","0.0823","","","","","","0.9131","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028436","6.2161","0.0001","11.6949","0.0002","9.3974","0.0002","90","","105.481","0.0013","90","","658.37","0.02","200","","200","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C26 H38 N6 O4 -","2","1","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","Intramolecular Cycloaddition Reactions of cis-1,2-Dihydrocatechol Derivatives Incorporating C3-Tethered Diazoketones, Nitrile Oxides, and Azides: Stereocontrolled Routes to Enantiomerically Pure Spiro[5.5]undecanes and Related Systems","Journal of Organic Chemistry","2013","78","","7100","7111","10.1021/jo400952u","","","0.71073","MoKα","","0.038","0.0295","","0.0677","0.0658","0.0677","","","","","","0.8683","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028437","19.18","0.05","9.99","0.03","7.58","0.02","90","","94.11","0.03","90","","1449","7","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C15 H26 O3 -","- C15 H26 O3 -","- C60 H104 O12 -","4","1","","Shou-Jie Shen; Wei-Dong Z. Li","Formal Homoiodo Allylsilane Annulations: Dual Total Syntheses of (\±)-Hirsutene and (\±)-Capnellene","Journal of Organic Chemistry","2013","78","","7112","7120","10.1021/jo4009854","","","0.71073","MoKα","","0.1573","0.1117","","","0.3156","0.3815","","","","","","0.96","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028438","11.002","0.004","24.264","0.008","9.485","0.003","90","","123.324","0.014","90","","2115.7","1.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H28 Br N O2 -","- C22 H28 Br N O2 -","- C88 H112 Br4 N4 O8 -","4","1","","Shou-Jie Shen; Wei-Dong Z. Li","Formal Homoiodo Allylsilane Annulations: Dual Total Syntheses of (\±)-Hirsutene and (\±)-Capnellene","Journal of Organic Chemistry","2013","78","","7112","7120","10.1021/jo4009854","","","0.71073","MoKα","","0.0605","0.0358","","","0.0692","0.0766","","","","","","0.985","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028439","11.473","0.007","13.103","0.005","13.176","0.006","60.725","0.004","77.663","0.006","73.088","0.005","1647","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H43 N O6 S Si -","- C31 H43 N O6 S Si -","- C62 H86 N2 O12 S2 Si2 -","2","1","","Manas K. Ghorai; Deo Prakash Tiwari; Nikita Jain","Lewis Acid Catalyzed SN2-Type Ring Opening of N-Activated Aziridines with Electron-Rich Arenes/Heteroarenes","Journal of Organic Chemistry","2013","78","","7121","7130","10.1021/jo401028j","","","0.71073","MoKα","","0.1272","0.1054","","","0.2721","0.2989","","","","","","1.084","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028440","5.86578","0.00013","14.3542","0.0004","12.3044","0.0003","90","","98.1422","0.0015","90","","1025.57","0.04","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O S -","- C13 H9 N O S -","- C52 H36 N4 O4 S4 -","4","1","","Zhen Wang; Yoichiro Kuninobu; Motomu Kanai","Copper-Catalyzed Intramolecular N-S Bond Formation by Oxidative Dehydrogenative Cyclization","Journal of Organic Chemistry","2013","78","","7337","7342","10.1021/jo401056g","","","1.54187","CuKα","","","0.0552","","","","0.1423","","","","","","1.115","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028441","5.7853","0.0002","12.5191","0.0004","15.3075","0.0005","78.699","0.001","88.466","0.001","84.409","0.001","1081.97","0.06","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C23 H25 I O3 -","- C23 H25 I O3 -","- C46 H50 I2 O6 -","2","1","","Maiwenn Jacolot; Mickael Jean; Naresh Tumma; Arnaud Bondon; Srivari Chandrasekhar; Pierre van de Weghe","Synthesis of Stachybotrin C and All of Its Stereoisomers: Structure Revision","Journal of Organic Chemistry","2013","78","","7169","7175","10.1021/jo401116r","","x-ray","0.71073","MoKα","","0.127","0.0691","","","0.1213","0.1438","","","","","","1.076","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028442","9.5784","0.0004","12.4773","0.0005","17.9818","0.0008","73.87","0.002","78.263","0.002","77.712","0.002","1993.18","0.15","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H20 Cl3 N O3 -","- C20 H20 Cl3 N O3 -","- C80 H80 Cl12 N4 O12 -","4","2","","Mark W. Grafton; Louis J. Farrugia; Andrew Sutherland","Synthesis of Amino-Substituted Indanes and Tetralins via Consecutive Multibond-Forming Tandem Processes","Journal of Organic Chemistry","2013","78","","7199","7207","10.1021/jo401182r","","x-ray","0.71073","MoKα","","0.0697","0.0544","","","0.146","0.1541","","","","","","1.033","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028443","19.19","0.003","13.797","0.002","19.557","0.002","90","","120.635","0.011","90","","4455.3","1.2","188","2","188","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C85 H14 S2 -","- C85 H14 S2 -","- C340 H56 S8 -","4","1","","Shu-Hui Li; Zong-Jun Li; Wei-Wei Yang; Xiang Gao","Reactions of C70(2-) with Organic Halides Revisited: Unusual Magnetic Equivalence for the Diastereotopic Methylene Protons in 2,5-(PhCH2)2C70","Journal of Organic Chemistry","2013","78","","7208","7215","10.1021/jo4011848","","","0.71073","MoKα","","0.2668","0.1412","","","0.2409","0.2877","","","","","","1.188","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028444","50.558","0.003","10.0753","0.0006","20.1387","0.0012","90","","90","","90","","10258.4","1.1","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C86 H12 Br2 S4 -","- C86 H12 Br2 S4 -","- C688 H96 Br16 S32 -","8","1","","Shu-Hui Li; Zong-Jun Li; Wei-Wei Yang; Xiang Gao","Reactions of C70(2-) with Organic Halides Revisited: Unusual Magnetic Equivalence for the Diastereotopic Methylene Protons in 2,5-(PhCH2)2C70","Journal of Organic Chemistry","2013","78","","7208","7215","10.1021/jo4011848","","","0.71073","MoKα","","0.1158","0.0717","","","0.1791","0.2041","","","","","","1.053","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028445","14.002","0.0008","10.9052","0.0005","30.6099","0.0016","90","","98.829","0.001","90","","4618.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C85 H12 Br2 S2 -","- C85 H12 Br2 S2 -","- C340 H48 Br8 S8 -","4","1","","Shu-Hui Li; Zong-Jun Li; Wei-Wei Yang; Xiang Gao","Reactions of C70(2-) with Organic Halides Revisited: Unusual Magnetic Equivalence for the Diastereotopic Methylene Protons in 2,5-(PhCH2)2C70","Journal of Organic Chemistry","2013","78","","7208","7215","10.1021/jo4011848","","","0.71073","MoKα","","0.1481","0.0857","","","0.2337","0.2714","","","","","","1.104","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028446","10.7742","0.0008","11.1529","0.0009","20.303","0.0016","98.824","0.001","104.7","0.001","101.071","0.001","2262.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C84.5 H12 Br2 S -","- C84.5 H12 Br2 S -","- C169 H24 Br4 S2 -","2","1","","Shu-Hui Li; Zong-Jun Li; Wei-Wei Yang; Xiang Gao","Reactions of C70(2-) with Organic Halides Revisited: Unusual Magnetic Equivalence for the Diastereotopic Methylene Protons in 2,5-(PhCH2)2C70","Journal of Organic Chemistry","2013","78","","7208","7215","10.1021/jo4011848","","","0.71073","MoKα","","0.1063","0.0641","","","0.1638","0.186","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028447","8.526","0.005","7.988","0.005","13.822","0.005","90","0.005","102.748","0.005","90","0.005","918.2","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 N O4 S -","- C20 H19 N O4 S -","- C40 H38 N2 O8 S2 -","2","1","","S. Vijay Kumar; G. Parameshwarappa; H. Ila","Synthesis of 2,4,5-Trisubstituted Thiazoles via Lawesson's Reagent-Mediated Chemoselective Thionation-Cyclization of Functionalized Enamides","Journal of Organic Chemistry","2013","78","","7362","7369","10.1021/jo401208u","","","0.71073","MoKα","","0.0452","0.0335","","","0.0734","0.078","","","","","","0.814","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028448","6.1709","0.0002","10.0287","0.0003","29.5929","0.0007","90","","94.779","0.001","90","","1825.02","0.09","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 F2 N2 O S -","- C22 H14 F2 N2 O S -","- C88 H56 F8 N8 O4 S4 -","4","1","","S. Vijay Kumar; G. Parameshwarappa; H. Ila","Synthesis of 2,4,5-Trisubstituted Thiazoles via Lawesson's Reagent-Mediated Chemoselective Thionation-Cyclization of Functionalized Enamides","Journal of Organic Chemistry","2013","78","","7362","7369","10.1021/jo401208u","","","0.71073","MoKα","","0.0767","0.0435","","","0.1231","0.1533","","","","","","1.075","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028449","10.162","0.003","9.184","0.0003","14.8983","0.0011","90","","109.542","0.009","90","","1310.3","0.4","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C52 H80 O20 -","4","1","","Jun Ma; Mark W. Peczuh","Positioning and Configuration of Key Atoms Influence the Topology of [13]-Macrodiolides","Journal of Organic Chemistry","2013","78","","7414","7422","10.1021/jo400383g","","","0.71075","MoKα","","0.0523","0.0429","","","0.1076","0.1122","","","","","","1.111","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028450","7.1037","0.0003","19.0334","0.0008","10.0969","0.0007","90","","107.43","0.008","90","","1302.49","0.13","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C52 H80 O20 -","4","0.5","","Jun Ma; Mark W. Peczuh","Positioning and Configuration of Key Atoms Influence the Topology of [13]-Macrodiolides","Journal of Organic Chemistry","2013","78","","7414","7422","10.1021/jo400383g","","","0.71075","MoKα","","0.0392","0.0368","","","0.0992","0.1017","","","","","","1.102","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028451","13.6486","0.0004","9.0116","0.0003","10.8608","0.0008","90","","99.909","0.007","90","","1315.9","0.12","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","0.5","","Jun Ma; Mark W. Peczuh","Positioning and Configuration of Key Atoms Influence the Topology of [13]-Macrodiolides","Journal of Organic Chemistry","2013","78","","7414","7422","10.1021/jo400383g","","","0.71075","MoKα","","0.0394","0.0373","","","0.1014","0.1033","","","","","","1.073","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028452","7.9072","0.0004","8.6722","0.0004","11.1569","0.0008","106.68","0.007","99.245","0.007","111.357","0.008","651.69","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C26 H40 O8 -","2","1","","Jun Ma; Mark W. Peczuh","Positioning and Configuration of Key Atoms Influence the Topology of [13]-Macrodiolides","Journal of Organic Chemistry","2013","78","","7414","7422","10.1021/jo400383g","","","0.71075","MoKα","","0.0551","0.0511","","","0.1338","0.137","","","","","","1.105","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028453","11.5447","0.0008","21.013","0.0014","22.4743","0.0015","90","","101.771","0.001","90","","5337.4","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N8 O4 Pd2 -","- C60 H48 N8 O4 Pd2 -","- C240 H192 N32 O16 Pd8 -","4","1","","Raghu Ram Chamala; Damon Parrish; Padmanava Pradhan; Mahesh K. Lakshman","Purinyl N1-Directed Aromatic C-H Oxidation in 6-Arylpurines and 6-Arylpurine Nucleosides","Journal of Organic Chemistry","2013","78","","7423","7435","10.1021/jo4008282","","","0.71073","MoKα","","0.0998","0.0645","","","0.1663","0.1925","","","","","","1.039","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028454","8.102","0.002","10.608","0.003","12.154","0.003","84.335","0.005","84.569","0.005","70.466","0.005","977.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3-(9-benzyl-9H-purin-6-yl)naphthalen-2-yl acetate","","- C24 H18 N4 O2 -","- C24 H18 N4 O2 -","- C48 H36 N8 O4 -","2","1","","Raghu Ram Chamala; Damon Parrish; Padmanava Pradhan; Mahesh K. Lakshman","Purinyl N1-Directed Aromatic C-H Oxidation in 6-Arylpurines and 6-Arylpurine Nucleosides","Journal of Organic Chemistry","2013","78","","7423","7435","10.1021/jo4008282","","","0.71073","MoKα","","0.0706","0.0457","","","0.1177","0.1363","","","","","","1.046","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028455","9.349","0.004","14.881","0.007","13.437","0.006","90","","92.751","0.006","90","","1867.2","1.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 O4 -","- C22 H34 O4 -","- C88 H136 O16 -","4","1","","Michael E. Jung; Mikhail Guzaev","Studies Toward the Enantiospecific Total Synthesis of Rhodexin A","Journal of Organic Chemistry","2013","78","","7518","7526","10.1021/jo400909t","","","0.71073","MoKα","","0.0697","0.0475","","","0.1092","0.1182","","","","","","1.047","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028456","7.067","0.004","20.412","0.01","14.737","0.008","90","","98.1","0.005","90","","2104.6","1.9","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H74 O5 Si3 -","- C38 H74 O5 Si3 -","- C76 H148 O10 Si6 -","2","1","","Michael E. Jung; Mikhail Guzaev","Studies Toward the Enantiospecific Total Synthesis of Rhodexin A","Journal of Organic Chemistry","2013","78","","7518","7526","10.1021/jo400909t","","","0.71073","MoKα","","0.0703","0.0471","","","0.0908","0.1001","","","","","","1.001","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028457","5.9362","0.0003","7.6173","0.0003","23.4584","0.0012","90","","90","","90","","1060.74","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 P S -","- C13 H9 P S -","- C52 H36 P4 S4 -","4","1","","Joshua C. Worch; Danielle N. Chirdon; Andrew B. Maurer; Yunyan Qiu; Steven J. Geib; Stefan Bernhard; Kevin J. T. Noonan","Synthetic Tuning of Electronic and Photophysical Properties of 2-Aryl-1,3-Benzothiaphospholes","Journal of Organic Chemistry","2013","78","","7462","7469","10.1021/jo400947u","","","1.54178","CuKα","","0.0768","0.0721","","","0.2075","0.2114","","","","","","2.185","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028458","7.795","0.005","18.924","0.011","9.785","0.006","90","","107.907","0.006","90","","1373.5","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Dimethylsulfonium diazoacetate triflate","(1-diazo-2-ethoxy-2-oxoethyl)dimethylsulfonium triflate","","- C7 H11 F3 N2 O5 S2 -","- C7 H11 F3 N2 O5 S2 -","- C28 H44 F12 N8 O20 S8 -","4","1","","Christian Schnaars; Martin Hennum; Tore Bonge-Hansen","Nucleophilic Halogenations of Diazo Compounds, a Complementary Principle for the Synthesis of Halodiazo Compounds: Experimental and Theoretical Studies","Journal of Organic Chemistry","2013","78","","7488","7497","10.1021/jo401050c","","","0.71073","MoKα","","0.0577","0.0431","","","0.1149","0.1242","","","","","","1.067","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028459","8.9478","0.0014","14.984","0.002","12.673","0.002","90","","91.953","0.002","90","","1698.1","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","triethylammonium diazoacetate triflate","1-diazo-2-ethoxy-N,N,N-triethyl-2-oxoethanaminium","","- C11 H20 F3 N3 O5 S -","- C11 H20 F3 N3 O5 S -","- C44 H80 F12 N12 O20 S4 -","4","1","","Christian Schnaars; Martin Hennum; Tore Bonge-Hansen","Nucleophilic Halogenations of Diazo Compounds, a Complementary Principle for the Synthesis of Halodiazo Compounds: Experimental and Theoretical Studies","Journal of Organic Chemistry","2013","78","","7488","7497","10.1021/jo401050c","","","0.71073","MoKα","","0.0577","0.0487","","","0.1319","0.1391","","","","","","1.074","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028460","18.7732","0.0006","15.9334","0.0005","20.2459","0.0007","90","","104.18","0.002","90","","5871.5","0.3","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38.5 Au F2 N2 O2.25 P -","- C28 H38.5 Au F2 N2 O2.25 P -","- C224 H308 Au8 F16 N16 O18 P8 -","8","2","","Wan Teng Teo; Weidong Rao; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Domino Aminocyclization/1,3-Sulfonyl Migration of N-Substituted N-Sulfonyl-aminobut-3-yn-2-ols to 1-Substituted 3-Sulfonyl-1H-pyrroles","Journal of Organic Chemistry","2013","78","","7508","7517","10.1021/jo401083m","","","0.71073","MoKα","","0.0932","0.0434","","","0.0933","0.1193","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028461","10.6441","0.0009","7.9916","0.0007","17.1445","0.0013","90","","106.912","0.002","90","","1395.3","0.2","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H31 N O3 S -","- C33 H31 N O3 S -","- C66 H62 N2 O6 S2 -","2","1","","Wan Teng Teo; Weidong Rao; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Domino Aminocyclization/1,3-Sulfonyl Migration of N-Substituted N-Sulfonyl-aminobut-3-yn-2-ols to 1-Substituted 3-Sulfonyl-1H-pyrroles","Journal of Organic Chemistry","2013","78","","7508","7517","10.1021/jo401083m","","","0.71073","MoKα","","0.0787","0.0508","","","0.1149","0.1281","","","","","","1.03","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028462","9.8047","0.0011","15.1178","0.0019","19.35","0.003","102.154","0.003","90.787","0.004","103.19","0.004","2724.1","0.6","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.25 H29.5 Cl0.5 N O2 S -","- C33.25 H29.5 Cl0.5 N O2 S -","- C133 H118 Cl2 N4 O8 S4 -","4","2","","Wan Teng Teo; Weidong Rao; Ming Joo Koh; Philip Wai Hong Chan","Gold-Catalyzed Domino Aminocyclization/1,3-Sulfonyl Migration of N-Substituted N-Sulfonyl-aminobut-3-yn-2-ols to 1-Substituted 3-Sulfonyl-1H-pyrroles","Journal of Organic Chemistry","2013","78","","7508","7517","10.1021/jo401083m","","","0.71073","MoKα","","0.1211","0.0646","","","0.1601","0.2165","","","","","","0.987","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028463","21.9821","0.0016","4.1296","0.0003","14.4511","0.0011","90","","103.816","0.008","90","","1273.88","0.17","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Br2 S2 -","- C14 H8 Br2 S2 -","- C56 H32 Br8 S8 -","4","0.5","","Christian Ruzié; Jolanta Karpinska; Alan R. Kennedy; Yves H. Geerts","Synthesis of 1,6-, 2,7-, 3,8-, and 4,9-Isomers of Didodecyl[1]benzothieno[3,2-b][1]benzothiophenes","Journal of Organic Chemistry","2013","78","","7741","7748","10.1021/jo401134c","","","1.5418","CuKα","","0.0439","0.0423","","","0.1198","0.1217","","","","","","1.154","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028464","12.1734","0.0004","5.0975","0.0002","13.3805","0.0004","90","","97.547","0.002","90","","823.12","0.05","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N3 O -","- C8 H11 N3 O -","- C32 H44 N12 O4 -","4","1","","Borys Ośmiałowski; Karina Mroczyńska; Erkki Kolehmainen; Magdalena Kowalska; Arto Valkonen; Marek Pietrzak; Kari Rissanen","Association of N-(Pyridin-2-yl),N'-substituted Ureas with 2-Amino-1,8-naphthyridines and Benzoates: NMR and Quantum Chemical Studies of the Substituent Effect on Complexation","Journal of Organic Chemistry","2013","78","","7582","7593","10.1021/jo4011393","","","0.71073","MoKα","","0.0702","0.0447","","","0.0855","0.0952","","","","","","1.052","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028465","12.8161","0.0003","5.1702","0.0001","15.4402","0.0003","90","","92.666","0.001","90","","1021.99","0.04","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N3 O -","- C10 H15 N3 O -","- C40 H60 N12 O4 -","4","1","","Borys Ośmiałowski; Karina Mroczyńska; Erkki Kolehmainen; Magdalena Kowalska; Arto Valkonen; Marek Pietrzak; Kari Rissanen","Association of N-(Pyridin-2-yl),N'-substituted Ureas with 2-Amino-1,8-naphthyridines and Benzoates: NMR and Quantum Chemical Studies of the Substituent Effect on Complexation","Journal of Organic Chemistry","2013","78","","7582","7593","10.1021/jo4011393","","","0.71073","MoKα","","0.044","0.0371","","","0.0919","0.096","","","","","","1.063","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028466","13.4019","0.0006","5.5613","0.0002","15.169","0.0007","90","","111.952","0.003","90","","1048.61","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O -","- C12 H11 N3 O -","- C48 H44 N12 O4 -","4","1","","Borys Ośmiałowski; Karina Mroczyńska; Erkki Kolehmainen; Magdalena Kowalska; Arto Valkonen; Marek Pietrzak; Kari Rissanen","Association of N-(Pyridin-2-yl),N'-substituted Ureas with 2-Amino-1,8-naphthyridines and Benzoates: NMR and Quantum Chemical Studies of the Substituent Effect on Complexation","Journal of Organic Chemistry","2013","78","","7582","7593","10.1021/jo4011393","","","0.71073","MoKα","","0.0979","0.0542","","","0.0981","0.1131","","","","","","1.017","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028467","15.679","0.009","16.496","0.01","8.969","0.005","90","","95.185","0.011","90","","2310","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F6 N2 O3 -","- C25 H24 F6 N2 O3 -","- C100 H96 F24 N8 O12 -","4","1","","Joseph E. Banning; Jacob Gentillon; Pavel G. Ryabchuk; Anthony R. Prosser; Andrew Rogers; Andrew Edwards; Andrew Holtzen; Ivan A. Babkov; Marina Rubina; Michael Rubin","Formal Substitution of Bromocyclopropanes with Nitrogen Nucleophiles","Journal of Organic Chemistry","2013","78","","7601","7616","10.1021/jo4011798","","","0.71073","MoKα","","0.1127","0.0893","","","0.2258","0.2443","","","","","","1.031","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028468","9.8452","0.0016","12.615","0.002","17.535","0.003","70.29","0.004","75.181","0.005","85.869","0.004","1981.8","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H30 N2 O3 S -","- C19 H30 N2 O3 S -","- C76 H120 N8 O12 S4 -","4","2","","Joseph E. Banning; Jacob Gentillon; Pavel G. Ryabchuk; Anthony R. Prosser; Andrew Rogers; Andrew Edwards; Andrew Holtzen; Ivan A. Babkov; Marina Rubina; Michael Rubin","Formal Substitution of Bromocyclopropanes with Nitrogen Nucleophiles","Journal of Organic Chemistry","2013","78","","7601","7616","10.1021/jo4011798","","","1.54178","CuKα","","0.0326","0.0324","","","0.085","0.0852","","","","","","1.044","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028469","13.1836","0.0003","5.4727","0.0001","8.6078","0.0002","90","","92.362","0.002","90","","620.52","0.02","100","2","100","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C14 H15 N3 O -","- C14 H15 N3 O -","- C28 H30 N6 O2 -","2","1","","Joseph E. Banning; Jacob Gentillon; Pavel G. Ryabchuk; Anthony R. Prosser; Andrew Rogers; Andrew Edwards; Andrew Holtzen; Ivan A. Babkov; Marina Rubina; Michael Rubin","Formal Substitution of Bromocyclopropanes with Nitrogen Nucleophiles","Journal of Organic Chemistry","2013","78","","7601","7616","10.1021/jo4011798","","","1.54178","CuKα","","0.0283","0.0266","","","0.0673","0.0682","","","","","","1.036","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028470","15.0672","0.0003","16.1877","0.0003","33.1869","0.0006","89.496","0.006","77.803","0.005","64.751","0.005","7125.5","0.4","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C86 H83.25 O6 -","- C86 H83.25 O6 -","- C344 H333 O24 -","4","2","","Shin-ichiro Kato; Nobutaka Takahashi; Yosuke Nakamura","Hexadecadehydrodibenzo[20]-, Tetracosadehydrotribenzo[30]-, and Dotriacontadehydrotetrabenzo[40]annulenes: Syntheses, Characterizations, Electronic Properties, and Self-Associations","Journal of Organic Chemistry","2013","78","","7658","7663","10.1021/jo401200m","","","1.54187","CuKα","","0.1341","0.0864","","","0.2522","0.2877","","","","","","1.036","","","","has coordinates,has disorder","178463","2020-10-21","18:00:00",""
"4028471","8.4251","0.0002","10.9245","0.0003","20.7242","0.0004","90","","100.747","0.0015","90","","1874","0.08","200","","200","","","","","","","","from U of Wollongong","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 O2 -","- C25 H16 N2 O2 -","- C100 H64 N8 O8 -","4","1","","Alireza Shakoori; John B. Bremner; Anthony C. Willis; Rachada Haritakun; Paul A. Keller","Rapid Cascade Synthesis of Poly-Heterocyclic Architectures from Indigo","Journal of Organic Chemistry","2013","78","","7639","7647","10.1021/jo401210r","","","0.71073","MoKα","","0.0482","0.039","","0.104","0.0961","0.104","","","","","","0.9935","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028472","8.8893","0.0002","21.6743","0.0004","10.0894","0.0002","90","","106.018","0.0009","90","","1868.45","0.07","200","","200","","","","","","","","from U of Wollongong","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N2 O2 -","- C25 H16 N2 O2 -","- C100 H64 N8 O8 -","4","1","","Alireza Shakoori; John B. Bremner; Anthony C. Willis; Rachada Haritakun; Paul A. Keller","Rapid Cascade Synthesis of Poly-Heterocyclic Architectures from Indigo","Journal of Organic Chemistry","2013","78","","7639","7647","10.1021/jo401210r","","","0.71073","MoKα","","0.0625","0.0395","","0.0981","0.0896","0.0981","","","","","","0.9556","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028473","7.5927","0.0002","9.4172","0.0003","16.2992","0.0005","76.3835","0.0014","88.6282","0.0018","78.0391","0.0019","1107.7","0.06","200","","200","","","","","","","","from U of Wollongong","4","P -1","-P 1","2","","","","- C29 H18 N2 O4 -","- C29 H18 N2 O4 -","- C58 H36 N4 O8 -","2","1","","Alireza Shakoori; John B. Bremner; Anthony C. Willis; Rachada Haritakun; Paul A. Keller","Rapid Cascade Synthesis of Poly-Heterocyclic Architectures from Indigo","Journal of Organic Chemistry","2013","78","","7639","7647","10.1021/jo401210r","","","0.71073","MoKα","","0.0594","0.0464","","0.1252","0.1173","0.1252","","","","","","0.9891","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028474","6.8899","0.0001","9.0638","0.0001","11.7741","0.0002","90.773","0.001","101.424","0.001","111.34","0.001","668.341","0.018","110","2","110","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H3 Br2 Cl2 I N2 -","- C10 H3 Br2 Cl2 I N2 -","- C20 H6 Br4 Cl4 I2 N4 -","2","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","0.7107","MoKα","","0.0289","0.0282","","","0.0711","0.0718","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028475","26.6463","0.0003","8.8622","0.0001","13.5771","0.0001","90","","119.908","0.001","90","","2779.19","0.06","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H3 Br Cl2 I2 N2 -","- C10 H3 Br Cl2 I2 N2 -","- C80 H24 Br8 Cl16 I16 N16 -","8","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","0.7107","MoKα","","0.0158","0.0152","","","0.0348","0.035","","","","","","1.08","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028476","9.3313","0.0001","13.9522","0.0001","25.8239","0.0001","90","","90","","90","","3362.07","0.05","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br2 Cl2 N2 Si -","- C13 H12 Br2 Cl2 N2 Si -","- C104 H96 Br16 Cl16 N16 Si8 -","8","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.5418","CuKα","","0.0187","0.0187","","","0.0484","0.0484","","","","","","1.124","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028477","9.36","0.0001","14.3708","0.0001","26.1227","0.0002","90","","90","","90","","3513.78","0.05","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br2 Cl2 N2 Sn -","- C13 H12 Br2 Cl2 N2 Sn -","- C104 H96 Br16 Cl16 N16 Sn8 -","8","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.54184","CuKα","","0.0303","0.0302","","","0.0795","0.0796","","","","","","1.071","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028478","8.6743","0.0001","10.3483","0.0001","17.3438","0.0002","90","","90","","90","","1556.85","0.03","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5,5'-Dibromo-2,2'-dichloro-3-phenyl-[4,4']bipyridinyl","","- C16 H8 Br2 Cl2 N2 -","- C16 H8 Br2 Cl2 N2 -","- C64 H32 Br8 Cl8 N8 -","4","1","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","0.7107","MoKα","","0.0159","0.0152","","","0.0363","0.0366","","","","","","1.07","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028479","8.4324","0.0001","10.3748","0.0001","17.2945","0.0002","90","","90","","90","","1513","0.03","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H7 Br2 Cl2 N3 -","- C15 H7 Br2 Cl2 N3 -","- C60 H28 Br8 Cl8 N12 -","4","1","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.5418","CuKα","","0.0175","0.0173","","","0.0467","0.0467","","","","","","1.092","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028480","7.1636","0.0001","29.2923","0.0002","8.4859","0.0001","90","","94.362","0.001","90","","1775.51","0.03","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H8 Br2 Cl2 N2 -","- C18 H8 Br2 Cl2 N2 -","- C72 H32 Br8 Cl8 N8 -","4","2","","Victor Mamane; Emmanuel Aubert; Paola Peluso; Sergio Cossu","Lithiation of Prochiral 2,2'-Dichloro-5,5'-dibromo-4,4'-bipyridine as a Tool for the Synthesis of Chiral Polyhalogenated 4,4'-Bipyridines","Journal of Organic Chemistry","2013","78","","7683","7689","10.1021/jo401255q","","","1.5418","CuKα","","0.0326","0.0325","","","0.0814","0.0815","","","","","","1.064","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028481","6.6202","0.0002","11.2051","0.0005","28.4745","0.0012","90","","90.7","0.002","90","","2112.08","0.14","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 O7 -","- C23 H26 O7 -","- C92 H104 O28 -","4","1","","Soumik Mondal; Annamalai Prathap; Kana M. Sureshan","Vinylogy in Orthoester Hydrolysis: Total Syntheses of Cyclophellitol, Valienamine, Gabosine K, Valienone, Gabosine G, 1-epi-Streptol, Streptol, and Uvamalol A","Journal of Organic Chemistry","2013","78","","7690","7700","10.1021/jo401272j","","","0.71073","MoKα","","0.1029","0.0573","","","0.1698","0.2083","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028482","12.7467","0.0008","25.7775","0.0017","8.1981","0.0004","90","","101.632","0.004","90","","2638.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H25 N O5 S -","- C31 H25 N O5 S -","- C124 H100 N4 O20 S4 -","4","1","","Yancheng Hu; Ruxia Yi; Fan Wu; Boshun Wan","Synthesis of Functionalized Oxazoles via Silver-Catalyzed Cyclization of Propargylamides and Allenylamides","Journal of Organic Chemistry","2013","78","","7714","7726","10.1021/jo401330t","","","0.71073","MoKα","","0.1075","0.0494","","","0.0965","0.1116","","","","","","1.039","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028483","10.5504","0.0007","12.7378","0.0009","12.8597","0.0009","90","","90","","90","","1728.2","0.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Br N2 O6 -","- C16 H17 Br N2 O6 -","- C64 H68 Br4 N8 O24 -","4","1","","Artur Noole; Kaja Ilmarinen; Ivar Järving; Margus Lopp; Tõnis Kanger","Asymmetric Synthesis of Congested Spiro-cyclopentaneoxindoles via an Organocatalytic Cascade Reaction","Journal of Organic Chemistry","2013","78","","8117","8122","10.1021/jo4008223","","","0.71073","MoKα","","0.0242","0.0216","","","0.0472","0.0478","","","","","","1.019","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028484","9.667","0.0002","11.1719","0.0002","19.3587","0.0004","90","","90","","90","","2090.72","0.07","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Br N O3 -","- C23 H24 Br N O3 -","- C92 H96 Br4 N4 O12 -","4","1","","Khanh Hung Nguyen; Sophie Tomasi; Myriam Le Roch; Loïc Toupet; Jacques Renault; Philippe Uriac; Nicolas Gouault","Gold-Mediated Synthesis and Functionalization of Chiral Halopyridones","Journal of Organic Chemistry","2013","78","","7809","7815","10.1021/jo400827b","","","0.71073","MoKα","","0.0382","0.0274","","","0.0461","0.0473","","","","","","0.826","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028485","12.0501","0.0002","9.3407","0.0002","19.3246","0.0005","90","","98.772","0.002","90","","2149.66","0.08","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H24 I N O3 -","- C23 H24 I N O3 -","- C92 H96 I4 N4 O12 -","4","2","","Khanh Hung Nguyen; Sophie Tomasi; Myriam Le Roch; Loïc Toupet; Jacques Renault; Philippe Uriac; Nicolas Gouault","Gold-Mediated Synthesis and Functionalization of Chiral Halopyridones","Journal of Organic Chemistry","2013","78","","7809","7815","10.1021/jo400827b","","","0.71069","MoKα","","0.042","0.0309","","","0.0457","0.0473","","","","","","0.908","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028486","13.5058","0.0013","4.6253","0.0003","18.357","0.002","90","","93.274","0.004","90","","1144.86","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Subhadip De; Sourabh Mishra; Badrinath N. Kakde; Dhananjay Dey; Alakesh Bisai","Expeditious Approach to Pyrrolophenanthridones, Phenanthridines, and Benzo[c]phenanthridines via Organocatalytic Direct Biaryl-Coupling Promoted by Potassium tert-Butoxide","Journal of Organic Chemistry","2013","78","","7823","7844","10.1021/jo400890k","","","0.71073","MoKα","","0.112","0.0472","","","0.106","0.1313","","","","","","0.975","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4028487","8.4402","0.0004","12.1368","0.0006","14.9524","0.0008","90","","90.817","0.002","90","","1531.52","0.13","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C80 H60 N4 O16 -","4","1","","Subhadip De; Sourabh Mishra; Badrinath N. Kakde; Dhananjay Dey; Alakesh Bisai","Expeditious Approach to Pyrrolophenanthridones, Phenanthridines, and Benzo[c]phenanthridines via Organocatalytic Direct Biaryl-Coupling Promoted by Potassium tert-Butoxide","Journal of Organic Chemistry","2013","78","","7823","7844","10.1021/jo400890k","","","0.71073","MoKα","","0.0729","0.0507","","","0.1406","0.1572","","","","","","1.026","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4028488","10.9095","0.0006","12.0094","0.0007","13.3449","0.0007","72.715","0.002","80.074","0.003","78.396","0.002","1623.43","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","2","","Subhadip De; Sourabh Mishra; Badrinath N. Kakde; Dhananjay Dey; Alakesh Bisai","Expeditious Approach to Pyrrolophenanthridones, Phenanthridines, and Benzo[c]phenanthridines via Organocatalytic Direct Biaryl-Coupling Promoted by Potassium tert-Butoxide","Journal of Organic Chemistry","2013","78","","7823","7844","10.1021/jo400890k","","","0.71073","MoKα","","0.0735","0.0467","","","0.121","0.1367","","","","","","1.062","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4028489","10.9448","0.0006","15.4733","0.0009","13.881","0.0008","90","","104.966","0.001","90","","2271","0.2","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 Br F N O3 S -","- C25 H23 Br F N O3 S -","- C100 H92 Br4 F4 N4 O12 S4 -","4","1","","B.V. Subba Reddy; Durgaprasad Medaboina; B. Sridhar; Kiran Kumar Singarapu","Stereoselective Synthesis of Hexahydro-1H-pyrano- and thiopyrano[3,4-c]quinoline Derivatives through a Prins Cascade Cyclization","Journal of Organic Chemistry","2013","78","","8161","8168","10.1021/jo4009657","","","0.71073","MoKα","","0.0451","0.0369","","","0.0954","0.101","","","","","","1.037","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028490","14.6611","0.0005","15.1611","0.0006","20.8261","0.0008","90","","90","","90","","4629.2","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H27 N O3 S -","- C26 H27 N O3 S -","- C208 H216 N8 O24 S8 -","8","1","","B.V. Subba Reddy; Durgaprasad Medaboina; B. Sridhar; Kiran Kumar Singarapu","Stereoselective Synthesis of Hexahydro-1H-pyrano- and thiopyrano[3,4-c]quinoline Derivatives through a Prins Cascade Cyclization","Journal of Organic Chemistry","2013","78","","8161","8168","10.1021/jo4009657","","","0.71073","MoKα","","0.0692","0.0577","","","0.1304","0.1372","","","","","","1.181","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028491","8.5849","0.0005","10.9787","0.0008","26.2197","0.0016","90","","90","","90","","2471.2","0.3","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O4 S2 -","- C24 H27 N O4 S2 -","- C96 H108 N4 O16 S8 -","4","1","","Akio Kamimura; Koichiro Miyazaki; Yu Yamane; Ryuichiro Yo; Shingo Ishikawa; Hidemitsu Uno; Michinori Sumimoto","A Radical Cascade Cyclization To Prepare Dihydrothiophenes Induced by Thiyl Radicals as Sulfur Biradical Equivalents","Journal of Organic Chemistry","2013","78","","7816","7822","10.1021/jo400975t","","","0.71075","MoKα","","","0.0386","","","","0.1143","","","","","","1.044","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028492","12.5942","0.0008","7.418","0.0005","12.6348","0.0013","90","","90.76","0.003","90","","1180.29","0.16","296","","296","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 N3 O4 S2 -","- C24 H27 N O4 S2 -","- C48 H54 N2 O8 S4 -","2","1","","Akio Kamimura; Koichiro Miyazaki; Yu Yamane; Ryuichiro Yo; Shingo Ishikawa; Hidemitsu Uno; Michinori Sumimoto","A Radical Cascade Cyclization To Prepare Dihydrothiophenes Induced by Thiyl Radicals as Sulfur Biradical Equivalents","Journal of Organic Chemistry","2013","78","","7816","7822","10.1021/jo400975t","","","0.71075","MoKα","","","0.0354","","","","0.1051","","","","","","1.087","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028493","20.1281","0.0017","14.9938","0.0016","8.0453","0.0007","90","","90","","90","","2428","0.4","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C104 H136 N24 O8 -","8","2","","Manman Sun; Tianshui Zhang; Weiliang Bao","FeCl3-Catalyzed Cascade Cyclization in One Pot: Synthesis of Ring-Fused Tetrahydroquinoline Derivatives from Arylamines and N-Substituted Lactams","Journal of Organic Chemistry","2013","78","","8155","8160","10.1021/jo400979h","","","0.71073","MoKα","","0.1181","0.0928","","","0.2086","0.2376","","","","","","1.049","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028494","5.8867","0.0012","17.738","0.004","9.807","0.002","90","","90.84","0.03","90","","1023.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C48 H54 N2 O6 -","2","1","","Hui Zhao; Atsushi Kato; Kasumi Sato; Yue-Mei Jia; Chu-Yi Yu","Total Synthesis and Glycosidase Inhibition of Broussonetine I and J2","Journal of Organic Chemistry","2013","78","","7896","7902","10.1021/jo4010553","","","0.71073","MoKα","","0.0641","0.0578","","","0.0908","0.0935","","","","","","1.134","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028495","13.992","0.0009","8.9084","0.0001","8.6286","0.0001","90","","90","","90","","1075.52","0.07","296","2","296","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Lizhi Zhu; Congshan Zhou; Wei Yang; Shuzhong He; Gui-Juan Cheng; Xinhao Zhang; Chi-Sing Lee","Formal Syntheses of (\±)-Platensimycin and (\±)-Platencin via a Dual-Mode Lewis Acid Induced Cascade Cyclization Approach","Journal of Organic Chemistry","2013","78","","7912","7929","10.1021/jo401105q","","","1.54187","CuKα","","0.0427","0.0405","","","0.0963","0.0984","","","","","","1.15","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028496","12.636","0.0002","7.0137","0.0001","14.3915","0.001","90","","114.714","0.008","90","","1158.62","0.11","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Lizhi Zhu; Congshan Zhou; Wei Yang; Shuzhong He; Gui-Juan Cheng; Xinhao Zhang; Chi-Sing Lee","Formal Syntheses of (\±)-Platensimycin and (\±)-Platencin via a Dual-Mode Lewis Acid Induced Cascade Cyclization Approach","Journal of Organic Chemistry","2013","78","","7912","7929","10.1021/jo401105q","","","1.54178","CuKα","","0.0571","0.0507","","","0.1252","0.133","","","","","","1.164","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028497","13.4787","0.0002","13.3407","0.0002","14.214","0.001","90","","90","","90","","2555.89","0.19","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C120 H160 O16 -","8","1","","Lizhi Zhu; Congshan Zhou; Wei Yang; Shuzhong He; Gui-Juan Cheng; Xinhao Zhang; Chi-Sing Lee","Formal Syntheses of (\±)-Platensimycin and (\±)-Platencin via a Dual-Mode Lewis Acid Induced Cascade Cyclization Approach","Journal of Organic Chemistry","2013","78","","7912","7929","10.1021/jo401105q","","","1.54187","CuKα","","0.0519","0.0451","","","0.1209","0.1282","","","","","","1.093","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028498","13.155","0.002","14.57","0.002","27.548","0.004","90","","90.26","0.02","90","","5280","1.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-1-(4-iodo-2,6-bis(trifluoromethyl)phenyl)-3,3-diisopropyl- triaz-1-ene","","- C14 H16 F6 I N3 -","- C14 H16 F6 I N3 -","- C168 H192 F72 I12 N36 -","12","3","","Andreas Hafner; Angela Bihlmeier; Martin Nieger; Wim Klopper; Stefan Bräse","ortho-Perfluoroalkylation and Ethoxycarbonyldifluoromethylation of Aromatic Triazenes","Journal of Organic Chemistry","2013","78","","7938","7948","10.1021/jo401145g","","","0.71073","MoKα","","0.0525","0.0403","","","0.0754","0.0801","","","","","","1.058","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028499","36.8738","0.0028","7.8936","0.0006","17.0218","0.0013","90","","102.531","0.001","90","","4836.5","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-diethyl 2,2'-(2-(3,3-diisopropyltriaz-1-en-1-yl)-5-iodo- 1,3-phenylene)bis(2,2-difluoroacetate)","","- C20 H26 F4 I N3 O4 -","- C20 H26 F4 I N3 O4 -","- C160 H208 F32 I8 N24 O32 -","8","2","","Andreas Hafner; Angela Bihlmeier; Martin Nieger; Wim Klopper; Stefan Bräse","ortho-Perfluoroalkylation and Ethoxycarbonyldifluoromethylation of Aromatic Triazenes","Journal of Organic Chemistry","2013","78","","7938","7948","10.1021/jo401145g","","","0.71073","MoKα","","0.0588","0.043","","","0.0802","0.0855","","","","","","1.079","","","","has coordinates","178463","2020-10-21","18:00:00",""
"4028500","9.3223","0.0005","10.8288","0.0005","11.3948","0.0006","61.996","0.001","85.235","0.001","68.67","0.001","940.65","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 N O2 S -","- C19 H25 N O2 S -","- C38 H50 N2 O4 S2 -","2","1","","Hsiao-Hua Hung; Yi-Ching Liao; Rai-Shung Liu","Oxidant-Dependent Chemoselectivity in the Gold-Catalyzed Oxidative Cyclizations of 3,4,6,6-Tetrasubstituted 3,5-Dien-1-ynes","Journal of Organic Chemistry","2013","78","","7970","7976","10.1021/jo401161h","","","0.71073","MoKα","","0.0951","0.0534","","","0.1356","0.1575","","","","","","1.032","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028501","11.2827","0.0011","19.8394","0.0019","14.7376","0.0014","90","","90.385","0.003","90","","3298.8","0.5","174","2","174","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl2 F7 Ir N6 -","- C34 H24 Cl2 F7 Ir N6 -","- C136 H96 Cl8 F28 Ir4 N24 -","4","1","","Hea Jung Park; Ji Na Kim; Hyun-Ji Yoo; Kyung-Ryang Wee; Sang Ook Kang; Dae Won Cho; Ung Chan Yoon","Rational Design, Synthesis, and Characterization of Deep Blue Phosphorescent Ir(III) Complexes Containing (4'-Substituted-2'-pyridyl)-1,2,4-triazole Ancillary Ligands","Journal of Organic Chemistry","2013","78","","8054","8064","10.1021/jo4012514","","","0.71073","MoKα","","0.0215","0.0199","","","0.0509","0.0517","","","","","","1.026","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028502","10.6569","0.0001","17.5703","0.0002","22.4981","0.0004","107.328","0.001","94.596","0.001","102.635","0.001","3876.06","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H24 Cl6 F7 Ir N6 O -","- C35 H24 Cl6 F7 Ir N6 O -","- C140 H96 Cl24 F28 Ir4 N24 O4 -","4","2","","Hea Jung Park; Ji Na Kim; Hyun-Ji Yoo; Kyung-Ryang Wee; Sang Ook Kang; Dae Won Cho; Ung Chan Yoon","Rational Design, Synthesis, and Characterization of Deep Blue Phosphorescent Ir(III) Complexes Containing (4'-Substituted-2'-pyridyl)-1,2,4-triazole Ancillary Ligands","Journal of Organic Chemistry","2013","78","","8054","8064","10.1021/jo4012514","","","0.71073","MoKα","","0.0489","0.0367","","","0.0901","0.0969","","","","","","1.032","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028503","10.349","0.0002","11.8478","0.0002","15.8534","0.0002","109.257","0.001","91.904","0.001","97.133","0.001","1815.15","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H22 Cl2 F13 Ir N6 -","- C36 H22 Cl2 F13 Ir N6 -","- C72 H44 Cl4 F26 Ir2 N12 -","2","1","","Hea Jung Park; Ji Na Kim; Hyun-Ji Yoo; Kyung-Ryang Wee; Sang Ook Kang; Dae Won Cho; Ung Chan Yoon","Rational Design, Synthesis, and Characterization of Deep Blue Phosphorescent Ir(III) Complexes Containing (4'-Substituted-2'-pyridyl)-1,2,4-triazole Ancillary Ligands","Journal of Organic Chemistry","2013","78","","8054","8064","10.1021/jo4012514","","","0.71073","MoKα","","0.0501","0.0451","","","0.1246","0.1289","","","","","","1.054","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028504","9.5195","0.0017","8.2289","0.0014","11.0119","0.0019","90","","98.595","0.003","90","","852.9","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","","Svetlana Postikova; Mohamad Sabbah; Daniel Wightman; Ich Tuan Nguyen; Morgane Sanselme; Thierry Besson; Jean-François Brière; Sylvain Oudeyer; Vincent Levacher","Developments in Meyers' Lactamization Methodology: En Route to Bi(hetero)aryl Structures with Defined Axial Chirality","Journal of Organic Chemistry","2013","78","","8191","8197","10.1021/jo401259w","","x-ray","0.71073","MoKα","","0.0448","0.0405","","","0.1021","0.1055","","","","","","1.072","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028505","7.8773","0.001","14.4868","0.0019","8.7034","0.0012","90","","105.377","0.002","90","","957.6","0.2","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C50 H40 N4 O4 -","2","1","","Svetlana Postikova; Mohamad Sabbah; Daniel Wightman; Ich Tuan Nguyen; Morgane Sanselme; Thierry Besson; Jean-François Brière; Sylvain Oudeyer; Vincent Levacher","Developments in Meyers' Lactamization Methodology: En Route to Bi(hetero)aryl Structures with Defined Axial Chirality","Journal of Organic Chemistry","2013","78","","8191","8197","10.1021/jo401259w","","x-ray","0.71073","MoKα","","0.0318","0.03","","","0.0776","0.0791","","","","","","1.054","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028506","7.2135","0.0007","10.2319","0.0009","22.864","0.002","90","","90","","90","","1687.5","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Svetlana Postikova; Mohamad Sabbah; Daniel Wightman; Ich Tuan Nguyen; Morgane Sanselme; Thierry Besson; Jean-François Brière; Sylvain Oudeyer; Vincent Levacher","Developments in Meyers' Lactamization Methodology: En Route to Bi(hetero)aryl Structures with Defined Axial Chirality","Journal of Organic Chemistry","2013","78","","8191","8197","10.1021/jo401259w","","x-ray","0.71073","MoKα","","0.0404","0.0392","","","0.0997","0.1007","","","","","","1.099","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028507","13.2591","0.0004","25.5247","0.0007","10.0154","0.0003","90","","90","","90","","3389.56","0.17","296","2","296","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C23 H19 N -","- C23 H19 N -","- C184 H152 N8 -","8","","","Keith Ramig; Edyta M. Greer; David J. Szalda; Sasan Karimi; Allen Ko; Laura Boulos; Jiansan Gu; Nathan Dvorkin; Hema Bhramdat; Gopal Subramaniam","NMR Spectroscopic and Computational Study of Conformational Isomerism in Substituted 2-Aryl-3H-1-benzazepines: Toward Isolable Atropisomeric Benzazepine Enantiomers","Journal of Organic Chemistry","2013","78","","8028","8036","10.1021/jo4013089","","","0.71073","MoKα","","0.0421","0.0346","","","0.0891","0.0943","","","","","","1.055","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028508","11.80816","0.00009","9.10166","0.00006","12.70852","0.00009","90","","103.658","0.0007","90","","1327.21","0.017","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C64 H44 F12 O8 -","4","1","","Roderick C. Jones; Michał Gałęzowski; Donal F. O'Shea","Synthesis of Trisubstituted Alkenes via Direct Oxidative Arene-Alkene Coupling","Journal of Organic Chemistry","2013","78","","8044","8053","10.1021/jo401326f","","","1.54184","CuKα","","0.0321","0.031","","","0.0789","0.08","","","","","","1.053","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028509","17.14511","0.00005","15.82328","0.00006","19.53876","0.00007","90","","90","","90","","5300.71","0.03","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C256 H176 F48 O32 -","16","2","","Roderick C. Jones; Michał Gałęzowski; Donal F. O'Shea","Synthesis of Trisubstituted Alkenes via Direct Oxidative Arene-Alkene Coupling","Journal of Organic Chemistry","2013","78","","8044","8053","10.1021/jo401326f","","","1.54184","CuKα","","0.0331","0.0317","","","0.0817","0.0831","","","","","","1.025","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028510","8.0808","0.0018","10.686","0.004","14.044","0.005","86.22","0.03","75.19","0.02","79.31","0.02","1151.9","0.7","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C26 H27 N O5 S -","- C26 H27 N O5 S -","- C52 H54 N2 O10 S2 -","2","2","","Philip C. Bulman Page; Louise F. Appleby; Yohan Chan; David P. Day; Benjamin R. Buckley; Alexandra M. Z. Slawin; Steven M. Allin; Michael J. McKenzie","Kinetic Resolution in Asymmetric Epoxidation using Iminium Salt Catalysis","Journal of Organic Chemistry","2013","78","","8074","8082","10.1021/jo401345m","","","0.71075","MoKα","","","0.0683","","","","0.1993","","","","","","0.804","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028511","8.1835","0.0013","7.9979","0.0012","13.072","0.002","90","","103.357","0.002","90","","832.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 B2 F8 N2 O2 -","- C14 H12 B2 F8 N2 O2 -","- C28 H24 B4 F16 N4 O4 -","2","0.5","","Arumugam Thangavel; Ian A. Elder; Chariklia Sotiriou-Leventis; Richard Dawes; Nicholas Leventis","Breaking Aggregation and Driving the Keto-to-gem-Diol Equilibrium of the N,N'-Dimethyl-2,6-diaza-9,10-anthraquinonediium Dication to the Keto Form by Intercalation in Cucurbit[7]uril","Journal of Organic Chemistry","2013","78","","8297","8304","10.1021/jo3027577","","","0.71073","MoKα","","0.1113","0.0936","","","0.2589","0.2878","","","","","","1.185","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028512","13.625","0.009","4.904","0.003","11.031","0.007","90","","112.012","0.009","90","","683.3","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 F6 O2 -","- C16 H8 F6 O2 -","- C32 H16 F12 O4 -","2","0.5","","Yunus E. Türkmen; Viresh H. Rawal","Exploring the Potential of Diarylacetylenediols as Hydrogen Bonding Catalysts","Journal of Organic Chemistry","2013","78","","8340","8353","10.1021/jo400926n","","","0.71073","MoKα","","0.0585","0.0522","","","0.1368","0.1434","","","","","","0.943","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028513","9.797","0.002","6.1428","0.0012","35.557","0.007","90","","93.51","0.03","90","","2135.8","0.7","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","","Fenghai Guo; Ramesh C. Dhakal; R. Karl Dieter","Conjugate Addition Reactions of N-Carbamoyl-4-pyridones and 2,3-Dihydropyridones with Grignard Reagents in the Absence of Cu(I) Salts","Journal of Organic Chemistry","2013","78","","8451","8464","10.1021/jo400936z","","","0.71073","MoKα","","0.1263","0.0876","","","0.2368","0.294","","","","","","1.042","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028514","10.207","0.005","11.783","0.005","19.638","0.009","84.53","0.006","78.165","0.006","73.602","0.006","2215.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H40 F2 N2 O7 -","- C49 H40 F2 N2 O7 -","- C98 H80 F4 N4 O14 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.0772","0.0558","","","0.14","0.1535","","","","","","1.081","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028515","10.642","0.003","14.408","0.004","24.489","0.007","90","","101.997","0.004","90","","3672.9","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H24 Cl2 N2 O5 -","- C33 H24 Cl2 N2 O5 -","- C132 H96 Cl8 N8 O20 -","4","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1238","0.0621","","","0.1422","0.1624","","","","","","0.853","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028516","10.438","0.002","12.642","0.003","17.628","0.004","81.504","0.003","80.904","0.003","88.886","0.003","2271.7","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H40 Cl2 N2 O5 -","- C49 H40 Cl2 N2 O5 -","- C98 H80 Cl4 N4 O10 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1341","0.0621","","","0.1493","0.1776","","","","","","0.898","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028517","10.2295","0.0011","16.6807","0.0018","22.423","0.003","90","","98.328","0.002","90","","3785.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 F2 N2 O5 -","- C44 H46 F2 N2 O5 -","- C176 H184 F8 N8 O20 -","4","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1","0.0549","","","0.1164","0.1393","","","","","","1.004","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028518","10.326","0.004","15.052","0.006","16.253","0.007","97.534","0.006","99.983","0.005","94.847","0.006","2451.5","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H50 Cl5 N3 O4 -","- C50 H50 Cl5 N3 O4 -","- C100 H100 Cl10 N6 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.2128","0.1389","","","0.3204","0.3482","","","","","","1.073","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028519","10.2599","0.0017","12.206","0.002","20.525","0.004","95.768","0.002","104.41","0.002","102.815","0.002","2394.3","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H45 Cl2 N3 O5 -","- C52 H45 Cl2 N3 O5 -","- C104 H90 Cl4 N6 O10 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1547","0.0611","","","0.1385","0.1688","","","","","","0.858","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028520","11.996","0.002","14.028","0.002","14.829","0.004","104.425","0.003","104.884","0.003","106.77","0.002","2163.7","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H41 Cl3 N2 O4 -","- C49 H41 Cl3 N2 O4 -","- C98 H82 Cl6 N4 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1273","0.0686","","","0.1779","0.2174","","","","","","1.038","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028521","10.2274","0.001","12.2634","0.0012","17.1688","0.0017","90","","94.869","0.001","90","","2145.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H32 Cl4 N2 O4 -","- C46 H32 Cl4 N2 O4 -","- C92 H64 Cl8 N4 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.0441","0.0381","","","0.0993","0.1039","","","","","","1","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028522","10.3188","0.0013","11.8802","0.0015","15.944","0.002","91.334","0.004","104.48","0.004","103.952","0.003","1829.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Cl2 N2 O4 -","- C42 H42 Cl2 N2 O4 -","- C84 H84 Cl4 N4 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1597","0.0662","","","0.128","0.1567","","","","","","1.017","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028523","11.2621","0.0009","16.9401","0.0015","14.7831","0.0013","90","","100.165","0.003","90","","2776.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl2 N2 O4 -","- C34 H26 Cl2 N2 O4 -","- C136 H104 Cl8 N8 O16 -","4","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1679","0.1204","","","0.2526","0.2937","","","","","","1.132","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028524","11.308","0.002","11.459","0.002","12.459","0.002","69.744","0.002","88.758","0.003","81.088","0.003","1495.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","1","","Jing Sun; Ya-Jing Xie; Chao-Guo Yan","Construction of Dispirocyclopentanebisoxindoles via Self-Domino Michael-Aldol Reactions of 3-Phenacylideneoxindoles","Journal of Organic Chemistry","2013","78","","8354","8365","10.1021/jo4010603","","","0.71073","MoKα","","0.1591","0.1082","","","0.3381","0.3683","","","","","","1.068","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028525","7.5283","0.0006","10.4136","0.0008","12.1829","0.0009","114.304","0.007","97.336","0.006","90.168","0.006","861.7","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O4 S -","- C18 H18 N2 O4 S -","- C36 H36 N4 O8 S2 -","2","1","","Jinjin Wang; Jing Wang; Ping Lu; Yanguang Wang","Copper-Catalyzed Cascade Preparation of Dihydropyrimidin-4-ones from N-(Prop-2-yn-1-yl)amides and Azides","Journal of Organic Chemistry","2013","78","","8816","8820","10.1021/jo401094j","","","0.71073","MoKα","","0.0508","0.0385","","","0.087","0.0964","","","","","","1.036","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028526","9.546","0.0003","5.8393","0.0002","14.1047","0.0004","90","","96.805","0.002","90","","780.68","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Se-Mi Son; Hyeon-Kyu Lee","Dynamic Kinetic Resolution-Based Asymmetric Transfer Hydrogenation of 2-Benzoylmorpholinones and Its Use in Concise Stereoselective Synthesis of All Four Stereoisomers of the Antidepressant Reboxetine","Journal of Organic Chemistry","2013","78","","8396","8404","10.1021/jo401102d","","","0.71073","MoKα","","0.0363","0.0347","","","0.0912","0.0928","","","","","","1.067","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028527","12.808","0.003","11.901","0.002","24.056","0.007","90","","112.72","0.03","90","","3382.3","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C152 H136 N8 O40 S8 -","8","2","","Hao Yu; Lei Zhang; Zhilin Yang; Zhen Li; Yan Zhao; Yumei Xiao; Hongchao Guo","Phosphine-Catalyzed [3 + 2] Cycloaddition of Sulfamate-Derived Cyclic Imines with Allenoate: Synthesis of Sulfamate-Fused Dihydropyrroles","Journal of Organic Chemistry","2013","78","","8427","8436","10.1021/jo401107v","","","0.71073","MoKα","","0.0964","0.0811","","","0.1472","0.1538","","","","","","1.286","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028528","8.3672","0.0007","8.7128","0.0007","12.731","0.0011","90","","98.037","0.001","90","","919","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H19 N3 O5 S -","- C18 H19 N3 O5 S -","- C36 H38 N6 O10 S2 -","2","1","","Bao-Dong Cui; Wen-Yong Han; Zhi-Jun Wu; Xiao-Mei Zhang; Wei-Cheng Yuan","Enantioselective Synthesis of Quaternary 3-Aminooxindoles via Organocatalytic Asymmetric Michael Addition of 3-Monosubstituted 3-Aminooxindoles to Nitroolefins","Journal of Organic Chemistry","2013","78","","8833","8839","10.1021/jo401154b","","","0.71073","MoKα","","0.045","0.0357","","","0.0806","0.0844","","","","","","1.063","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028529","7.996","0.002","8.27","0.002","28.609","0.007","90","","90","","90","","1891.8","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 Br O2 -","- C21 H25 Br O2 -","- C84 H100 Br4 O8 -","4","1","","Douglass F. Taber; James F. Berry","Construction of the Tricyclic A-B-C Core of the Veratrum Alkaloids","Journal of Organic Chemistry","2013","78","","8437","8441","10.1021/jo401158d","","","0.71073","MoKα","","0.0265","0.0241","","","0.067","0.0684","","","","","","1.025","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028530","5.4454","0.0015","8.372","0.002","9.793","0.003","84.238","0.005","83.54","0.004","78.233","0.005","432.9","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H23 N O8 -","- C16 H23 N O8 -","- C16 H23 N O8 -","1","1","","Suresh Dharuman; Preeti Gupta; Pavan K. Kancharla; Yashwant D. Vankar","Synthesis of 2-Nitroglycals from Glycals Using the Tetrabutylammonium Nitrate-Trifluoroacetic Anhydride-Triethylamine Reagent System and Base-Catalyzed Ferrier Rearrangement of Acetylated 2-Nitroglycals","Journal of Organic Chemistry","2013","78","","8442","8450","10.1021/jo401165y","","","0.71073","MoKα","","0.0687","0.0507","","","0.1065","0.1438","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028531","9.0945","0.0013","11.1936","0.0009","21.398","0.003","90","","120.027","0.018","90","","1886","0.5","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl2 N2 O5 P -","- C15 H19 Cl2 N2 O5 P -","- C60 H76 Cl8 N8 O20 P4 -","4","1","","Wouter Debrouwer; Thomas S. A. Heugebaert; Kristof Van Hecke; Christian V. Stevens","Synthetic Entry into 1-Phosphono-3-azabicyclo[3.1.0]hexanes","Journal of Organic Chemistry","2013","78","","8232","8241","10.1021/jo401185u","","","1.5418","CuKα","","0.106","0.0702","","","0.174","0.2166","","","","","","1.008","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028532","9.6158","0.0004","11.3767","0.0005","17.5776","0.0007","90","","98.092","0.004","90","","1903.77","0.14","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl2 N2 O3 P -","- C16 H19 Cl2 N2 O3 P -","- C64 H76 Cl8 N8 O12 P4 -","4","1","","Wouter Debrouwer; Thomas S. A. Heugebaert; Kristof Van Hecke; Christian V. Stevens","Synthetic Entry into 1-Phosphono-3-azabicyclo[3.1.0]hexanes","Journal of Organic Chemistry","2013","78","","8232","8241","10.1021/jo401185u","","","1.5418","CuKα","","0.0707","0.0452","","","0.1177","0.1342","","","","","","1.027","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028533","11.812","0.005","12.254","0.005","16.871","0.005","86.203","0.005","72.152","0.005","63.842","0.005","2079.6","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H27 F5 N2 S -","- C45 H27 F5 N2 S -","- C90 H54 F10 N4 S2 -","2","1","","Ganesan Karthik; Pallavee Vitti Krushna; A. Srinivasan; Tavarekere K. Chandrashekar","Calix[2]thia[4]phyrin: An Expanded Calixphyrin with Aggregation-Induced Enhanced Emission and Anion Receptor Properties","Journal of Organic Chemistry","2013","78","","8496","8501","10.1021/jo401232a","","","0.71073","MoKα","","0.1209","0.0692","","","0.1815","0.2111","","","","","","0.945","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028534","17.6848","0.0016","21.47","0.002","20.6857","0.0018","90","","99.421","0.005","90","","7748.3","1.2","296","2","296","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C90.5 H56.5 Cl3.5 F10 N4 O9.5 S2 -","- C90.5 H56.5 Cl3.5 F10 N4 O9.5 S2 -","- C362 H226 Cl14 F40 N16 O38 S8 -","4","2","","Ganesan Karthik; Pallavee Vitti Krushna; A. Srinivasan; Tavarekere K. Chandrashekar","Calix[2]thia[4]phyrin: An Expanded Calixphyrin with Aggregation-Induced Enhanced Emission and Anion Receptor Properties","Journal of Organic Chemistry","2013","78","","8496","8501","10.1021/jo401232a","","","0.71073","MoKα","","0.1112","0.0814","","","0.2186","0.2455","","","","","","1.031","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028535","7.89551","0.00009","17.34558","0.00016","22.8169","0.0002","90","","90","","90","","3124.82","0.05","120","1","120","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 N3 O7 -","- C32 H43 N3 O7 -","- C128 H172 N12 O28 -","4","1","","Suvendu Biswas; Nader E. Abo-Dya; Alexander Oliferenko; Amir Khiabani; Peter J. Steel; Khalid A. Alamry; Alan R. Katritzky","Oxyazapeptides: Synthesis, Structure Determination, and Conformational Analysis","Journal of Organic Chemistry","2013","78","","8502","8509","10.1021/jo401234g","","","1.54184","CuKα","","0.0385","0.0354","","","0.0895","0.0925","","","","","","1.026","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028536","8.132","0.003","12.16","0.005","15.703","0.006","90","","90","","90","","1552.8","1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O6 -","- C16 H14 N2 O6 -","- C64 H56 N8 O24 -","4","1","","Chao Cheng; Zongwei Cai; Xiao-Shui Peng; Henry N. C. Wong","Enantiomeric Recognition of Amino Acid Salts by Macrocyclic Crown Ethers Derived from Enantiomerically Pure 1,8,9,16-Tetrahydroxytetraphenylenes","Journal of Organic Chemistry","2013","78","","8562","8573","10.1021/jo401240k","","","0.71073","MoKα","","0.0728","0.0561","","","0.1488","0.1596","","","","","","1.023","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028537","7.2906","0.0005","13.4966","0.0008","16.3088","0.001","90","","90","","90","","1604.76","0.18","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 I2 O2 -","- C16 H14 I2 O2 -","- C64 H56 I8 O8 -","4","1","","Chao Cheng; Zongwei Cai; Xiao-Shui Peng; Henry N. C. Wong","Enantiomeric Recognition of Amino Acid Salts by Macrocyclic Crown Ethers Derived from Enantiomerically Pure 1,8,9,16-Tetrahydroxytetraphenylenes","Journal of Organic Chemistry","2013","78","","8562","8573","10.1021/jo401240k","","","0.71073","MoKα","","0.026","0.0252","","","0.0612","0.0617","","","","","","1.307","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028538","16.677","0.003","9.9746","0.0015","15.086","0.002","90","","113.85","0.003","90","","2295.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl N3 O5 -","- C24 H30 Cl N3 O5 -","- C96 H120 Cl4 N12 O20 -","4","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0563","0.0426","","","0.0879","0.0914","","","","","","1.076","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028539","14.227","0.002","13.112","0.002","23.405","0.003","90","","117.331","0.007","90","","3878.7","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl4 N3 O8 -","- C37 H41 Cl4 N3 O8 -","- C148 H164 Cl16 N12 O32 -","4","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0845","0.0452","","","0.0797","0.0874","","","","","","0.82","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028540","16.928","0.006","9.845","0.003","31.117","0.011","90","","90","","90","","5186","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28.75 H32 N4 O5 -","- C28.5 H32 N4 O5 -","- C228 H256 N32 O40 -","8","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.1867","0.1285","","","0.3529","0.3882","","","","","","1.253","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028541","10.752","0.003","22.282","0.007","12.459","0.004","90","","90.181","0.005","90","","2984.9","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 Cl3 N4 O5 -","- C28 H37 Cl3 N4 O5 -","- C112 H148 Cl12 N16 O20 -","4","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0862","0.0637","","","0.1825","0.1937","","","","","","1.012","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028542","14.162","0.005","11.289","0.004","33.764","0.011","90","","90","","90","","5398","3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H40 N4 O6 -","- C28 H40 N4 O6 -","- C224 H320 N32 O48 -","8","1","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0778","0.0612","","","0.1626","0.1719","","","","","","0.976","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028543","10.152","0.003","17.836","0.005","23.318","0.007","101.848","0.005","93.41","0.005","95.553","0.005","4099","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H36 Cl4 N4 O4 -","- C29 H36 Cl4 N4 O4 -","- C116 H144 Cl16 N16 O16 -","4","2","","Song Liu; John S. Scotti; Sergey A. Kozmin","Emulating the Logic of Monoterpenoid Alkaloid Biogenesis to Access a Skeletally Diverse Chemical Library","Journal of Organic Chemistry","2013","78","","8645","8654","10.1021/jo401262v","","","0.71073","MoKα","","0.0997","0.0566","","","0.1739","0.1882","","","","","","0.972","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028544","8.6888","0.0003","9.189","0.0003","9.4216","0.0003","79.235","0.002","65.4","0.002","78.023","0.002","664.79","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Br N2 O4 -","- C13 H13 Br N2 O4 -","- C26 H26 Br2 N4 O8 -","2","1","","Mustafa J. Raihan; R. R. Rajawinslin; Veerababurao Kavala; Chun-Wei Kuo; Ting-Shen Kuo; Chiu-Hui He; Hsiu-Ni Huang; Ching-Fa Yao","Halonium Ion Mediated Synthesis of 2-Halomethylene-3-oxoketoxime Derivatives from Isoxazoline N-Oxides","Journal of Organic Chemistry","2013","78","","8872","8879","10.1021/jo401283x","","","0.71073","MoKα","","0.03","0.0243","","","0.0733","0.0982","","","","","","1.264","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028545","12.113","0.002","16.639","0.003","4.8589","0.001","90","","90","","90","","979.3","0.3","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 F6 N3 -","- C8 H3 F6 N3 -","- C32 H12 F24 N12 -","4","1","","Michael De Rosa; David Arnold; Douglas Hartline","Four Mechanisms in the Reactions of 3-Aminopyrrole with 1,3,5-Triazines: Inverse Electron Demand Diels-Alder Cycloadditions vs SNAr Reactions via Uncatalyzed and Acid-Catalyzed Pathways","Journal of Organic Chemistry","2013","78","","8614","8623","10.1021/jo4012915","","","0.71073","MoKα","","0.1266","0.1039","","","0.3028","0.3289","","","","","","1.247","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028546","12.571","0.007","20.299","0.011","4.706","0.003","90","","90","","90","","1200.9","1.2","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C10 H4 F4 N8 -","- C10 H4 F4 N8 -","- C40 H16 F16 N32 -","4","1","","Michael De Rosa; David Arnold; Douglas Hartline","Four Mechanisms in the Reactions of 3-Aminopyrrole with 1,3,5-Triazines: Inverse Electron Demand Diels-Alder Cycloadditions vs SNAr Reactions via Uncatalyzed and Acid-Catalyzed Pathways","Journal of Organic Chemistry","2013","78","","8614","8623","10.1021/jo4012915","","","0.71073","MoKα","","0.0563","0.0441","","","0.0954","0.1006","","","","","","1.023","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028547","9.024","0.0014","12.568","0.001","21.352","0.0017","90","","104.171","0.001","90","","2347.9","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Sahaj Gupta; Dipankar Koley; Krishnan Ravikumar; Bijoy Kundu","Counter Ion Effect in Au/Ag-Catalyzed Chemoselective 6-endo-dig N- and O-Cyclizations of Enyne-Urea System: Diversity-Oriented Synthesis of Annulated Indoles","Journal of Organic Chemistry","2013","78","","8624","8633","10.1021/jo4013332","","","0.71073","MoKα","","0.0599","0.0477","","","0.1305","0.1426","","","","","","1.025","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028548","6.0699","0.0014","22.271","0.005","17.599","0.004","90","","98.522","0.004","90","","2352.8","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Sahaj Gupta; Dipankar Koley; Krishnan Ravikumar; Bijoy Kundu","Counter Ion Effect in Au/Ag-Catalyzed Chemoselective 6-endo-dig N- and O-Cyclizations of Enyne-Urea System: Diversity-Oriented Synthesis of Annulated Indoles","Journal of Organic Chemistry","2013","78","","8624","8633","10.1021/jo4013332","","","0.71073","MoKα","","0.1474","0.0874","","","0.1542","0.178","","","","","","1.124","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028549","7.7674","0.0001","8.7329","0.0001","8.4874","0.0001","90","","97.962","0.001","90","","570.167","0.012","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H18 F N O3 -","- C10 H18 F N O3 -","- C20 H36 F2 N2 O6 -","2","1","","Simon J. Shaw; Dane A. Goff; Luke A. Boralsky; Mark Irving; Rajinder Singh","Enantioselective Synthesis of cis-3-Fluoropiperidin-4-ol, a Building Block for Medicinal Chemistry","Journal of Organic Chemistry","2013","78","","8892","8897","10.1021/jo401352z","","","1.54184","CuKα","","0.0305","0.03","","","0.0804","0.0809","","","","","","1.037","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028550","7.7639","0.0004","8.7343","0.0005","8.4835","0.0004","90","","98.013","0.003","90","","569.67","0.05","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H18 F N O3 -","- C10 H18 F N O3 -","- C20 H36 F2 N2 O6 -","2","1","","Simon J. Shaw; Dane A. Goff; Luke A. Boralsky; Mark Irving; Rajinder Singh","Enantioselective Synthesis of cis-3-Fluoropiperidin-4-ol, a Building Block for Medicinal Chemistry","Journal of Organic Chemistry","2013","78","","8892","8897","10.1021/jo401352z","","","1.54184","CuKα","","0.0383","0.0363","","","0.091","0.0925","","","","","","1.041","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028551","6.7212","0.0005","16.922","0.002","25.652","0.003","90","","90","","90","","2917.6","0.5","100.3","0.4","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H11 N5 -","- C18 H11 N5 -","- C144 H88 N40 -","8","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","1.54184","CuKα","","0.0629","0.0541","","","0.1582","0.1703","","","","","","1.082","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028552","23.5138","0.0007","13.2286","0.0004","9.4729","0.0003","90","","90","","90","","2946.59","0.16","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H11 N5 -","- C18 H11 N5 -","- C144 H88 N40 -","8","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","1.54184","CuKα","","0.0432","0.0359","","","0.0934","0.0977","","","","","","1.099","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028553","18.0008","0.0018","12.1839","0.0012","14.6705","0.0019","90","","108.737","0.012","90","","3047","0.6","100.05","0.1","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 N5 -","- C19 H13 N5 -","- C152 H104 N40 -","8","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","1.54184","CuKα","","0.0594","0.0538","","","0.1482","0.1536","","","","","","1.041","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028554","8.5353","0.0006","14.8828","0.001","11.7854","0.0008","90","","104.911","0.007","90","","1446.68","0.18","100.05","0.1","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 N5 -","- C18 H11 N5 -","- C72 H44 N20 -","4","1","","Styliana I. Mirallai; Maria Manoli; Panayiotis A. Koutentis","Reactions of Tetracyanoethylene with N'-Arylbenzamidines: A Route to 2-Phenyl-3H-imidazo[4,5-b]quinoline-9-carbonitriles","Journal of Organic Chemistry","2013","78","","8655","8668","10.1021/jo4013699","","","0.71073","MoKα","","0.0536","0.0432","","","0.1093","0.1153","","","","","","1.066","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028555","10.02","0.007","10.25","0.007","18.583","0.013","78.568","0.011","87.828","0.011","75.839","0.012","1814","2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cl3 N3 O S -","- C42 H36 Cl3 N3 O S -","- C84 H72 Cl6 N6 O2 S2 -","2","1","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.1228","0.0894","","","0.2226","0.2537","","","","","","0.946","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028556","10.0378","0.0009","10.1977","0.0009","10.4509","0.0009","71.289","0.002","72.671","0.002","65.066","0.001","902.18","0.14","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 Br N2 S -","- C21 H15 Br N2 S -","- C42 H30 Br2 N4 S2 -","2","1","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0529","0.0411","","","0.0982","0.1013","","","","","","0.927","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028557","10.2017","0.0014","12.9072","0.0017","17.458","0.002","85.786","0.002","85.243","0.002","73.689","0.002","2195.6","0.5","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20.5 N3.5 S -","- C27 H20.5 N3.5 S -","- C108 H82 N14 S4 -","4","2","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0994","0.0654","","","0.1805","0.2037","","","","","","0.973","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028558","10.3933","0.001","12.6851","0.0012","16.6669","0.0016","97.372","0.002","105.335","0.001","98.675","0.002","2062","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 S2 -","- C25 H18 N2 S2 -","- C100 H72 N8 S8 -","4","2","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0887","0.0495","","","0.1338","0.152","","","","","","1.03","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028559","10.237","0.004","11.233","0.004","15.634","0.005","78.122","0.004","85.747","0.005","79.296","0.005","1727.5","1.1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 N4 O2 S2 -","- C42 H34 N4 O2 S2 -","- C84 H68 N8 O4 S4 -","2","1","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0849","0.0719","","","0.1948","0.2038","","","","","","1.021","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028560","5.8778","0.0018","7.415","0.002","9.975","0.003","84.049","0.005","87.505","0.005","77.632","0.004","422.3","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 Br N2 S -","- C8 H5 Br N2 S -","- C16 H10 Br2 N4 S2 -","2","1","","Tao Tao; Bin-Bin Ma; Yu-Xin Peng; Xiao-Xu Wang; Wei Huang; Xiao-Zeng You","Asymmetrical/Symmetrical D-π-A/D-π-D Thiazole-Containing Aromatic Heterocyclic Fluorescent Compounds Having the Same Triphenylamino Chromophores","Journal of Organic Chemistry","2013","78","","8669","8679","10.1021/jo401384g","","","0.71073","MoKα","","0.0574","0.0526","","","0.1373","0.1404","","","","","","1.009","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028561","10.32","0.013","12.289","0.015","16.52","0.02","100.239","0.015","95.243","0.015","94.028","0.016","2045","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H39 Cl Ir N P2 -","- C49 H39 Cl Ir N P2 -","- C98 H78 Cl2 Ir2 N2 P4 -","2","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.0788","0.0513","","","0.1073","0.1181","","","","","","0.998","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028562","9.653","0.003","14.058","0.005","16.31","0.005","87.728","0.004","78.385","0.004","87.118","0.004","2164.2","1.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 Fe O -","- C29 H24 Fe O -","- C116 H96 Fe4 O4 -","4","2","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.1054","0.0494","","","0.0805","0.0975","","","","","","1.019","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028563","15.39","0.03","6.159","0.013","21.75","0.04","90","","94.94","0.03","90","","2054","7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Fe O2 -","- C26 H24 Fe O2 -","- C104 H96 Fe4 O8 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.1464","0.0773","","","0.1404","0.1589","","","","","","1.048","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028564","6.3952","0.001","7.5982","0.0012","39.534","0.006","90","","91.28","0.002","90","","1920.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Fe N -","- C26 H21 Fe N -","- C104 H84 Fe4 N4 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.0546","0.0433","","","0.1008","0.1063","","","","","","1.073","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028565","6.118","0.0003","11.4661","0.0004","29.4764","0.001","90","","91.952","0.003","90","","2066.56","0.14","291","2","291.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Fe N O2 -","- C27 H21 Fe N O2 -","- C108 H84 Fe4 N4 O8 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.7107","MoKα","","0.0633","0.0442","","","0.0976","0.1053","","","","","","1.042","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028566","29.415","0.004","6.2737","0.0008","10.6309","0.0014","90","","90","","90","","1961.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H21 Fe N -","- C26 H21 Fe N -","- C104 H84 Fe4 N4 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.0489","0.0348","","","0.0725","0.0797","","","","","","1.036","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028567","23","0.007","7.545","0.002","11.657","0.004","90","","90.115","0.004","90","","2022.9","1.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Fe N3 -","- C26 H23 Fe N3 -","- C104 H92 Fe4 N12 -","4","1","","Chen Xu; Xin-Qi Hao; Zhi-Qiang Xiao; Zhi-Qiang Wang; Xiao-Er Yuan; Wei-Jun Fu; Bao-Ming Ji; Mao-Ping Song","One-Pot Synthesis of Ferrocenyl Ketones Containing Biaryls and 6-Aryl-2-ferrocenylquinolines via Ir/Pd-Cocatalyzed α-Alkylation/Suzuki Reaction","Journal of Organic Chemistry","2013","78","","8730","8738","10.1021/jo401421b","","","0.71073","MoKα","","0.0716","0.0405","","","0.0886","0.1015","","","","","","1.037","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028568","12.591","0.0007","12.591","0.0007","43.157","0.005","90","","90","","120","","5925.2","0.8","297","2","297","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C37 H49 Cl3 O9 -","- C37 H49 Cl3 O9 -","- C222 H294 Cl18 O54 -","6","0.333333","","Monica Cîrcu; Albert Soran; Niculina Daniela Hădade; Monica Rednic; Anamaria Terec; Ion Grosu","Cryptands with 1,3,5-Tris(1',3'-dioxan-2'-yl)-benzene Units: Synthesis and Structural Investigations","Journal of Organic Chemistry","2013","78","","8722","8729","10.1021/jo401432y","","","0.71073","MoKα","","0.1043","0.0871","","","0.165","0.1734","","","","","","1.15","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028569","11.684","0.004","13.811","0.005","16.664","0.006","106.936","0.012","94.523","0.012","103.162","0.013","2474.2","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H65 N7 O11 -","- C47 H65 N7 O11 -","- C94 H130 N14 O22 -","2","1","","Subrata Saha; Bidyut Akhuli; Sourav Chakraborty; Pradyut Ghosh","Synthesis of a Preorganized Hybrid Macrobicycle with Distinct Amide and Amine Clefts: Tetrahedral versus Spherical Anions Binding Studies","Journal of Organic Chemistry","2013","78","","8759","8765","10.1021/jo401504f","","","0.71073","MoKα","","0.1448","0.0853","","","0.2467","0.2988","","","","","","1.048","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028570","20.207","0.0019","16.6727","0.0016","31.039","0.003","90","","90","","90","","10457.2","1.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C47 H63 Cl2 N8 O16 -","- C47 H63 Cl2 N8 O16 -","- C376 H504 Cl16 N64 O128 -","8","1","","Subrata Saha; Bidyut Akhuli; Sourav Chakraborty; Pradyut Ghosh","Synthesis of a Preorganized Hybrid Macrobicycle with Distinct Amide and Amine Clefts: Tetrahedral versus Spherical Anions Binding Studies","Journal of Organic Chemistry","2013","78","","8759","8765","10.1021/jo401504f","","","0.71073","MoKα","","0.0683","0.0477","","","0.1302","0.1482","","","","","","1.09","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028571","14.3205","0.0007","11.8681","0.0006","32.3426","0.0015","90","","113.74","0.002","90","","5031.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H63 Br3 N8 O7 -","- C47 H63 Br3 N8 O7 -","- C188 H252 Br12 N32 O28 -","4","1","","Subrata Saha; Bidyut Akhuli; Sourav Chakraborty; Pradyut Ghosh","Synthesis of a Preorganized Hybrid Macrobicycle with Distinct Amide and Amine Clefts: Tetrahedral versus Spherical Anions Binding Studies","Journal of Organic Chemistry","2013","78","","8759","8765","10.1021/jo401504f","","","0.71073","MoKα","","0.1224","0.0795","","","0.1945","0.2172","","","","","","0.972","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028572","13.9515","0.0006","7.4841","0.0003","20.7748","0.0009","90","","98.7267","0.0005","90","","2144.08","0.16","83","2","83","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H56 N4 O10 Si -","- C41 H56 N4 O10 Si -","- C82 H112 N8 O20 Si2 -","2","1","","Salman Y. Jabri; Larry E. Overman","Enantioselective Total Syntheses of Plectosphaeroic Acids B and C","Journal of Organic Chemistry","2013","78","","8766","8788","10.1021/jo4015479","","","0.71073","MoKα","","0.037","0.0358","","","0.0983","0.0993","","","","","","1.048","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028573","7.1493","0.0003","12.2599","0.0005","19.056","0.0008","90","","90","","90","","1670.25","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 N3 O2 -","- C19 H19 N3 O2 -","- C76 H76 N12 O8 -","4","1","","Mani Raj Chaulagain; Albert E. Felten; Kevin Gilbert; Zachary D. Aron","Diastereo- and Enantioselective Three-Component Coupling Approach to Highly Substituted Pyrrolidines","Journal of Organic Chemistry","2013","78","","9471","9476","10.1021/jo401015y","","","1.54178","CuKα","","0.0325","0.0316","","","0.0829","0.084","","","","","","1.057","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028574","7.5169","0.0013","16.51","0.003","13.022","0.002","90","","90","","90","","1616.1","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C19 H17 Br N2 O -","- C19 H17 Br N2 O -","- C76 H68 Br4 N8 O4 -","4","1","","Xiaodong Jia; Yaxin Wang; Fangfang Peng; Congde Huo; Liangliang Yu; Jing Liu; Xicun Wang","Catalytic sp3C-H Oxidation of Peptides and Their Analogues by Radical Cation Salts: From Glycine Amides to Quinolines","Journal of Organic Chemistry","2013","78","","9450","9456","10.1021/jo401018v","","","0.71073","MoKα","","0.0363","0.0314","","","0.0863","0.0904","","","","","","1.028","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028575","4.84198","0.00013","24.6091","0.0006","11.1667","0.0003","90","","97.31","0.003","90","","1319.77","0.06","293.96","0.1","293.96","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","Xiaodong Jia; Yaxin Wang; Fangfang Peng; Congde Huo; Liangliang Yu; Jing Liu; Xicun Wang","Catalytic sp3C-H Oxidation of Peptides and Their Analogues by Radical Cation Salts: From Glycine Amides to Quinolines","Journal of Organic Chemistry","2013","78","","9450","9456","10.1021/jo401018v","","","1.5418","CuKα","","0.0457","0.0426","","","0.1158","0.119","","","","","","1.066","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028576","10.5211","0.0006","19.7827","0.0012","11.4336","0.0005","90","","115.473","0.003","90","","2148.4","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O3 S -","- C23 H28 N2 O3 S -","- C92 H112 N8 O12 S4 -","4","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0854","0.0476","","","0.1138","0.1294","","","","","","0.94","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028577","7.4176","0.0002","9.5552","0.0002","10.6426","0.0003","73.5374","0.0012","71.7067","0.0012","89.4121","0.0015","684.26","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O3 S3 -","- C12 H14 N2 O3 S3 -","- C24 H28 N4 O6 S6 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0321","0.0265","","","0.0713","0.0733","","","","","","1.053","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028578","24.7995","0.0005","9.1854","0.0002","15.9469","0.0004","90","","90.6521","0.0012","90","","3632.36","0.14","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 N2 O3 S3 -","- C18 H18 N2 O3 S3 -","- C144 H144 N16 O24 S24 -","8","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.1048","0.0392","","","0.0648","0.075","","","","","","0.844","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028579","7.6137","0.0002","10.2745","0.0002","12.3735","0.0004","102.081","0.0011","93.9533","0.001","107.418","0.0011","894.08","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N3 O3 S3 -","- C18 H15 N3 O3 S3 -","- C36 H30 N6 O6 S6 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0495","0.0338","","","0.0801","0.0848","","","","","","0.968","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028580","10.2872","0.0003","10.4831","0.0004","11.0788","0.0004","82.6096","0.0016","85.8594","0.0014","80.255","0.003","1166.18","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H22 N4 O3 S2 -","- C25 H22 N4 O3 S2 -","- C50 H44 N8 O6 S4 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0594","0.0391","","","0.0932","0.0994","","","","","","1.009","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028581","8.6438","0.0004","20.1707","0.0011","12.4655","0.0007","90","","110.431","0.003","90","","2036.66","0.19","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N3 O4 S2 -","- C21 H23 N3 O4 S2 -","- C84 H92 N12 O16 S8 -","4","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.1473","0.0508","","","0.0767","0.0918","","","","","","0.813","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028582","8.2612","0.0003","11.53","0.0004","11.621","0.0005","118.884","0.002","101.288","0.002","97.331","0.002","918.11","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O3 S3 -","- C18 H18 N2 O3 S3 -","- C36 H36 N4 O6 S6 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.059","0.0415","","","0.1146","0.1228","","","","","","1.069","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028583","7.2005","0.0002","7.8115","0.0002","14.1006","0.0004","82.8219","0.0018","87.622","0.002","81.448","0.002","777.93","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O3 S2 -","- C16 H14 N2 O3 S2 -","- C32 H28 N4 O6 S4 -","2","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0558","0.0364","","","0.0905","0.0974","","","","","","1.011","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028584","12.106","0.0004","26.2262","0.0009","5.0256","0.0001","90","","90","","90","","1595.6","0.08","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H13 N3 O3 S2 -","- C17 H13 N3 O3 S2 -","- C68 H52 N12 O12 S8 -","4","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0351","0.0298","","","0.0709","0.0725","","","","","","1.034","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028585","10.1559","0.0002","9.6338","0.0001","26.2933","0.0006","90","","111.841","0.001","90","","2387.88","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N2 O3 S2 -","- C25 H32 N2 O3 S2 -","- C100 H128 N8 O12 S8 -","4","1","","Matthias D. Mertens; Markus Pietsch; Gregor Schnakenburg; Michael Gütschow","Regioselective Sulfonylation and N- to O-Sulfonyl Migration of Quinazolin-4(3H)-ones and Analogous Thienopyrimidin-4(3H)-ones","Journal of Organic Chemistry","2013","78","","8966","8979","10.1021/jo4010876","","","0.71073","MoKα","","0.0514","0.0371","","","0.0974","0.1029","","","","","","1.061","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028586","8.638","0.001","11.502","0.001","9.89","0.001","90","","101.376","0.002","90","","963.31","0.17","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,5-bis(pentyliminomethyl)-2,6-dihydroxynaphthalene","","","- C22 H30 N2 O2 -","- C22 H30 N2 O2 -","- C44 H60 N4 O4 -","2","0.5","","Hirohiko Houjou; Hajime Shingai; Keisuke Yagi; Isao Yoshikawa; Koji Araki","Mutual Interference between Intramolecular Proton Transfer Sites through the Adjoining π-Conjugated System in Schiff Bases of Double-Headed, Fused Salicylaldehydes","Journal of Organic Chemistry","2013","78","","9021","9031","10.1021/jo401108z","","","1.54184","CuKα","","0.0536","0.0519","","","0.1354","0.1389","","","","","","1.069","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028587","49.85","0.05","4.657","0.005","10.848","0.011","90","","99.408","0.014","90","","2485","4","93","2","93","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,5-bis(octyliminomethyl)-2,6-dihydroxynaphthalene","","","- C28 H42 N2 O2 -","- C28 H42 N2 O2 -","- C112 H168 N8 O8 -","4","0.5","","Hirohiko Houjou; Hajime Shingai; Keisuke Yagi; Isao Yoshikawa; Koji Araki","Mutual Interference between Intramolecular Proton Transfer Sites through the Adjoining π-Conjugated System in Schiff Bases of Double-Headed, Fused Salicylaldehydes","Journal of Organic Chemistry","2013","78","","9021","9031","10.1021/jo401108z","","","0.71075","MoKα","","0.0814","0.0534","","","0.1312","0.1569","","","","","","1.083","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028588","9.168","0.001","10.975","0.001","11.722","0.001","65.579","0.002","70.746","0.002","70.183","0.002","985.28","0.16","193","2","193","2","","","","","","","","4","P -1","-P 1","2","1,5-bis(benzyliminomethyl)-2,6-dihydroxynaphthalene","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C52 H44 N4 O4 -","2","1","","Hirohiko Houjou; Hajime Shingai; Keisuke Yagi; Isao Yoshikawa; Koji Araki","Mutual Interference between Intramolecular Proton Transfer Sites through the Adjoining π-Conjugated System in Schiff Bases of Double-Headed, Fused Salicylaldehydes","Journal of Organic Chemistry","2013","78","","9021","9031","10.1021/jo401108z","","","1.54184","CuKα","","0.0946","0.088","","","0.3532","0.3657","","","","","","1.826","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028589","6.0534","0.0001","9.3596","0.0002","31.6166","0.0005","90","","90","","90","","1791.31","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O7 -","- C19 H24 O7 -","- C76 H96 O28 -","4","1","","Stephen Hanessian; Benjamin R. Schroeder; Bradley L. Merner; Bin Chen; Eric E. Swayze; Punit P. Seth","Synthesis of cis- and trans-α-l-[4.3.0]Bicyclo-DNA Monomers for Antisense Technology: Methods for the Diastereoselective Formation of Bicyclic Nucleosides","Journal of Organic Chemistry","2013","78","","9051","9063","10.1021/jo401166q","","","1.54178","CuKα","","0.036","0.0334","","","0.0888","0.0906","","","","","","1.06","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028590","7.6328","0.0004","14.1459","0.0006","41.464","0.0019","90","","90","","90","","4477","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N2 O6 Si -","- C19 H30 N2 O6 Si -","- C152 H240 N16 O48 Si8 -","8","2","","Stephen Hanessian; Jernej Wagger; Bradley L. Merner; Robert D. Giacometti; Michael E. Østergaard; Eric E. Swayze; Punit P. Seth","A constrained Tricyclic Nucleic Acid Analogue of α-l-LNA: Investigating the Effects of Dual Conformational Restriction on Duplex Thermal Stability","Journal of Organic Chemistry","2013","78","","9064","9075","10.1021/jo401170y","","","1.54178","CuKα","","0.1167","0.0763","","","0.2149","0.2389","","","","","","1.017","","","","has coordinates,has disorder","178464","2020-10-21","18:00:00",""
"4028591","6.4711","0.0004","9.5163","0.0006","27.7291","0.0017","90","","90","","90","","1707.58","0.18","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 N2 O6 -","- C14 H18 N2 O6 -","- C56 H72 N8 O24 -","4","1","","Stephen Hanessian; Jernej Wagger; Bradley L. Merner; Robert D. Giacometti; Michael E. Østergaard; Eric E. Swayze; Punit P. Seth","A constrained Tricyclic Nucleic Acid Analogue of α-l-LNA: Investigating the Effects of Dual Conformational Restriction on Duplex Thermal Stability","Journal of Organic Chemistry","2013","78","","9064","9075","10.1021/jo401170y","","","1.54178","CuKα","","0.0354","0.0338","","","0.0963","0.0977","","","","","","1.075","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028592","5.9908","0.0001","21.9862","0.0006","13.158","0.0004","90","","94.8749","0.001","90","","1726.84","0.08","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C41 H46 O8 -","- C41 H46 O8 -","- C82 H92 O16 -","2","1","","Ananda Kumar Kanduluru; Prabal Banerjee; John A Beutler; Philip L Fuchs","A Convergent Total Synthesis of the Potent Cephalostatin/Ritterazine Hybrid -25-epiRitterostatin GN1N","Journal of Organic Chemistry","2013","78","","9085","9092","10.1021/jo401171q","","","0.71073","MO-Kα","","0.065","0.049","","","0.086","0.094","","","","","","1.061","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028593","11.2106","0.0003","6.3133","0.0002","28.577","0.001","90","","96.8071","0.0012","90","","2008.3","0.11","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H52 O10 -","- C48 H52 O10 -","- C96 H104 O20 -","2","1","","Ananda Kumar Kanduluru; Prabal Banerjee; John A Beutler; Philip L Fuchs","A Convergent Total Synthesis of the Potent Cephalostatin/Ritterazine Hybrid -25-epiRitterostatin GN1N","Journal of Organic Chemistry","2013","78","","9085","9092","10.1021/jo401171q","","","0.71073","MO-Kα","","0.081","0.057","","","0.093","0.103","","","","","","1.104","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028594","8.561","0.004","9.81","0.004","11.971","0.006","111","0.04","101.05","0.05","98.38","0.04","895.6","0.8","200","2","200","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C22 H17 N3 O3 -","- C22 H17 N3 O3 -","- C44 H34 N6 O6 -","2","1","","Belen Batanero; Fructuoso Barba; Avelino Martin","One-Pot Formation of 1,3,4-Oxadiazol-2(3H)-ones and Dibenzo[c,e]azepines by Concomitant Cathodic Reduction of Diazonium Salts and Phenanthrenequinones","Journal of Organic Chemistry","2013","78","","9477","9481","10.1021/jo401264w","","x-ray","0.71073","MoKα","","0.121","0.05","","","0.1156","0.1377","","","","","","0.944","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028595","10.3682","0.0013","20.31","0.005","10.8183","0.0013","90","","103.339","0.018","90","","2216.6","0.7","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 Cl3 N5 O3 -","- C21 H16 Cl3 N5 O3 -","- C84 H64 Cl12 N20 O12 -","4","1","","Belen Batanero; Fructuoso Barba; Avelino Martin","One-Pot Formation of 1,3,4-Oxadiazol-2(3H)-ones and Dibenzo[c,e]azepines by Concomitant Cathodic Reduction of Diazonium Salts and Phenanthrenequinones","Journal of Organic Chemistry","2013","78","","9477","9481","10.1021/jo401264w","","x-ray","0.71073","MoKα","","0.179","0.085","","","0.2324","0.2856","","","","","","1.266","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028596","15.162","0.009","8.812","0.002","16.235","0.009","90","","95.4","0.05","90","","2159.5","1.8","200","2","200","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N3 O3 -","- C25 H25 N3 O3 -","- C100 H100 N12 O12 -","4","1","","Belen Batanero; Fructuoso Barba; Avelino Martin","One-Pot Formation of 1,3,4-Oxadiazol-2(3H)-ones and Dibenzo[c,e]azepines by Concomitant Cathodic Reduction of Diazonium Salts and Phenanthrenequinones","Journal of Organic Chemistry","2013","78","","9477","9481","10.1021/jo401264w","","x-ray","0.71073","MoKα","","0.1645","0.06","","","0.1207","0.149","","","","","","0.941","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028597","3.827","0.0004","19.9545","0.0012","8.9557","0.0006","90","","90.672","0.006","90","","683.86","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H12 F N O3 -","- C17 H12 F N O3 -","- C34 H24 F2 N2 O6 -","2","1","","Shugao Zhu; Luling Wu; Xian Huang","Gold-Catalyzed Cyclization of 3-(2'-Azidoaryl)-1-arylpropargyl Carbonates or 3-Aryl-1-(2'-azidoaryl)propargyl Carbonates to Produce Quinolines","Journal of Organic Chemistry","2013","78","","9120","9126","10.1021/jo401324k","","","0.71073","MoKα","","0.0634","0.0404","","","0.0737","0.0843","","","","","","1.023","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028598","11.74","0.0005","7.1758","0.0003","13.2748","0.0007","90","","92.215","0.004","90","","1117.49","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F N O -","- C15 H10 F N O -","- C60 H40 F4 N4 O4 -","4","1","","Shugao Zhu; Luling Wu; Xian Huang","Gold-Catalyzed Cyclization of 3-(2'-Azidoaryl)-1-arylpropargyl Carbonates or 3-Aryl-1-(2'-azidoaryl)propargyl Carbonates to Produce Quinolines","Journal of Organic Chemistry","2013","78","","9120","9126","10.1021/jo401324k","","","0.71073","MoKα","","0.042","0.0348","","","0.0918","0.0968","","","","","","1.049","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028599","6.03","0.006","7.997","0.007","39.32","0.04","90","","90","","90","","1896","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-phenylglycinol salt of (+)-Trans-(1R,2R,5S)-3-(tert-butoxy- carbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.","","- C19 H28 N2 O5 -","- C19 H28 N2 O5 -","- C76 H112 N8 O20 -","4","1","","Bettina Bakonyi; Markus Furegati; Christian Kramer; Luigi La Vecchia; Flavio Ossola","Synthesis of All Four Stereoisomers of 3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic Acid","Journal of Organic Chemistry","2013","78","","9328","9339","10.1021/jo4013282","","","1.54178","CuKα","","0.0323","0.0318","","","0.0802","0.0805","","","","","","1.102","","","","has coordinates","178464","2020-10-21","18:00:00",""
"4028600","10.3442","0.0003","29.4631","0.0008","11.8597","0.0003","90","","105.406","0.002","90","","3484.63","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 N3 Pd -","- C42 H37 N3 Pd -","- C168 H148 N12 Pd4 -","4","1","","Timothy D. Lash; Ashley M. Toney; Kylie M. Castans; Gregory M. Ferrence","Synthesis of Benziporphyrins and Heterobenziporphyrins and an Assessment of the Diatropic Characteristics of the Protonated Species","Journal of Organic Chemistry","2013","78","","9143","9152","10.1021/jo401365p","","","0.71073","MoKα","","0.0851","0.0467","","","","0.0929","","","","","","1.023","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028601","6.4739","0.0006","15.5769","0.0015","18.5242","0.0017","90","","90","","90","","1868","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Benito Alcaide; Pedro Almendros; Teresa Martínez del Campo; M. Rosario Torres","Synthesis of Fused-β-Lactams through Selective Gold-Catalyzed Oxycyclization of Dioxolane-Tethered Enynes","Journal of Organic Chemistry","2013","78","","8956","8965","10.1021/jo401390k","","","0.71073","MoKα","","0.135","0.0393","","","0.0798","0.1004","","","","","","0.998","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028602","7.5027","0.0002","20.0377","0.0006","8.6994","0.0003","90","","104.153","0.0005","90","","1268.14","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H35 N5 O6 -","- C24 H35 N5 O6 -","- C48 H70 N10 O12 -","2","1","","Olga I. Shmatova; Valentine G. Nenajdenko","Synthesis of Tetrazole-Derived Organocatalysts via Azido-Ugi Reaction with Cyclic Ketimines","Journal of Organic Chemistry","2013","78","","9214","9222","10.1021/jo401428q","","","0.71073","MoKα","","0.0311","0.0289","","","0.0738","0.0755","","","","","","1.035","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028603","11.462","0.006","5.423","0.003","12.416","0.005","90","","101.315","0.013","90","","756.8","0.7","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Br F3 O2 -","- C16 H16 Br F3 O2 -","- C32 H32 Br2 F6 O4 -","2","1","","Alyn T. Davies; James E. Taylor; James Douglas; Christopher J. Collett; Louis C. Morrill; Charlene Fallan; Alexandra M. Z. Slawin; Gwydion Churchill; Andrew D. Smith","Stereospecific Asymmetric N-Heterocyclic Carbene (NHC)-Catalyzed Redox Synthesis of Trifluoromethyl Dihydropyranones and Mechanistic Insights","Journal of Organic Chemistry","2013","78","","9243","9257","10.1021/jo401433q","","","0.71075","MoKα","","","0.0456","","","","0.1091","","","","","","0.805","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028604","9.411","0.015","6.155","0.009","12.59","0.019","90","","104.26","0.03","90","","706.8","1.9","298","1","298","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H20 F N O S -","- C14 H20 F N O S -","- C28 H40 F2 N2 O2 S2 -","2","1","","Óscar Pablo; David Guijarro; Miguel Yus","Synthesis of Nitrogenated Heterocycles by Asymmetric Transfer Hydrogenation of N-(tert-Butylsulfinyl)haloimines","Journal of Organic Chemistry","2013","78","","9181","9189","10.1021/jo4014386","","","0.71073","MoKα","","0.1352","0.0534","","","0.0749","0.0925","","","","","","0.796","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028605","9.0663","0.0017","10.2171","0.0019","17.358","0.003","90","","90","","90","","1607.9","0.5","298","1","298","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O S -","- C16 H25 N O S -","- C64 H100 N4 O4 S4 -","4","1","","Óscar Pablo; David Guijarro; Miguel Yus","Synthesis of Nitrogenated Heterocycles by Asymmetric Transfer Hydrogenation of N-(tert-Butylsulfinyl)haloimines","Journal of Organic Chemistry","2013","78","","9181","9189","10.1021/jo4014386","","","0.71073","MoKα","","0.0564","0.0407","","","0.0931","0.1036","","","","","","1.019","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028606","16.0473","0.0006","8.2489","0.0003","28.1693","0.0011","90","","90","","90","","3728.8","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N6 S2 -","- C18 H18 N6 S2 -","- C144 H144 N48 S16 -","8","1","","Andréanne Bolduc; Abelaziz Al Ouahabi; Charlotte Mallet; W. G. Skene","Insight into the Isoelectronic Character of Azomethines and Vinylenes Using Representative Models: A Spectroscopic and Electrochemical Study","Journal of Organic Chemistry","2013","78","","9258","9269","10.1021/jo401497z","","","1.54178","CuKα","","0.0651","0.0541","","","0.1413","0.1467","","","","","","1.009","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028607","5.3357","0.0005","14.5791","0.0012","27.62","0.002","90","","90","","90","","2148.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0542","0.0521","","","0.1351","0.1372","","","","","","1.03","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028608","5.9321","0.0016","16.378","0.004","22.766","0.006","90","","90","","90","","2211.9","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.1043","0.0879","","","0.1926","0.2144","","","","","","1.08","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028609","5.6081","0.0014","17.574","0.004","23.186","0.006","90","","90","","90","","2285.1","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0755","0.0487","","","0.1017","0.1115","","","","","","0.906","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028610","5.9143","0.0019","16.418","0.005","23.943","0.008","90","","90","","90","","2324.9","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.1067","0.0843","","","0.1903","0.2025","","","","","","1.08","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028611","5.94","0.003","16.522","0.008","23.753","0.012","90","","90","","90","","2331","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0973","0.0722","","","0.1795","0.198","","","","","","1.096","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028612","5.608","0.0011","17.552","0.004","23.94","0.005","90","","90","","90","","2356.5","0.9","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0651","0.0586","","","0.1428","0.1464","","","","","","1.01","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028613","16.429","0.004","5.83","0.0014","25.749","0.006","90","","101.226","0.003","90","","2419.1","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","2","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0996","0.0611","","","0.141","0.162","","","","","","0.928","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028614","5.8548","0.0008","17.17","0.002","22.895","0.003","90","","90","","90","","2301.6","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C104 H124 N4 O24 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.063","0.0582","","","0.1246","0.1281","","","","","","1.005","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028615","9.5257","0.001","10.0665","0.0011","24.832","0.003","90","","90","","90","","2381.2","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 N O6 -","- C26 H31 N O6 -","- C104 H124 N4 O24 -","4","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0481","0.0431","","","0.1145","0.1175","","","","","","1.024","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028616","8.585","0.008","8.79","0.008","12.585","0.011","89.579","0.012","82.776","0.011","67.638","0.01","870.5","1.4","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C38 H47 N O11 -","- C38 H47 N O11 -","- C38 H47 N O11 -","1","1","","Hiroaki Shitara; Toshiki Shintani; Koichi Kodama; Takuji Hirose","Solvent-Induced Reversed Stereoselectivity in Reciprocal Resolutions of Mandelic Acid and erythro-2-Amino-1,2-diphenylethanol","Journal of Organic Chemistry","2013","78","","9309","9316","10.1021/jo401517q","","","0.71073","MoKα","","0.0777","0.0704","","","0.1957","0.2114","","","","","","1.039","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028617","19.0813","0.001","20.9562","0.0011","27.535","0.0013","69.762","0.004","81.598","0.004","74.116","0.005","9920.1","0.9","140","1","140","1","","","","","","","","4","P -1","-P 1","2","","","","- C114 H136 O8 S4 -","- C113.35 H107 O8 S4 -","- C453.4 H428 O32 S16 -","4","2","","Hemant Gopee; Xiangfei Kong; Zhiqun He; Isabelle Chambrier; David L. Hughes; Graham J. Tizzard; Simon J. Coles; Andrew N. Cammidge","Expanded Porphyrin-like Structures Based on Twinned Triphenylenes","Journal of Organic Chemistry","2013","78","","9505","9511","10.1021/jo401551c","","","0.71073","Mo-Kα","","0.2002","0.1344","","","0.349","0.3962","","","","","","1.295","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028618","13.0439","0.0014","14.4112","0.0016","14.9721","0.0016","85.365","0.007","80.789","0.007","89.884","0.006","2768.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C126.66 H154.64 F8 N4 O10.66 -","- C126.66 H154.64 F8 N4 O10.66 -","- C126.66 H154.64 F8 N4 O10.66 -","1","0.5","","Hemant Gopee; Xiangfei Kong; Zhiqun He; Isabelle Chambrier; David L. Hughes; Graham J. Tizzard; Simon J. Coles; Andrew N. Cammidge","Expanded Porphyrin-like Structures Based on Twinned Triphenylenes","Journal of Organic Chemistry","2013","78","","9505","9511","10.1021/jo401551c","","","0.71075","MoKα","","0.2232","0.0835","","","0.1496","0.2041","","","","","","0.932","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028619","8.4971","0.0012","15.548","0.002","22.387","0.003","90","","100.734","0.003","90","","2905.9","0.7","147","2","147","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N2 S3 -","- C12 H20 N2 S3 -","- C96 H160 N16 S24 -","8","2","","Brandon Djukic; Alan J. Lough; Dwight S. Seferos","A Highly Electron-Deficient Analogue of Aniline, Soluble Oligomers, and Their Redox Properties","Journal of Organic Chemistry","2013","78","","9340","9344","10.1021/jo401565f","","","0.71073","MoKα","","0.0946","0.06","","","0.1363","0.155","","","","","","1.027","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028620","35.432","0.007","13.899","0.003","5.4329","0.0013","90","","91.627","0.005","90","","2674.5","1","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H28 N2 O S -","- C9 H14 N2 O S -","- C72 H112 N16 O8 S8 -","8","1","","Brandon Djukic; Alan J. Lough; Dwight S. Seferos","A Highly Electron-Deficient Analogue of Aniline, Soluble Oligomers, and Their Redox Properties","Journal of Organic Chemistry","2013","78","","9340","9344","10.1021/jo401565f","","","0.71073","MoKα","","0.0727","0.0554","","","0.1586","0.167","","","","","","1.189","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028621","9.477","0.004","8.93","0.004","19.082","0.008","90","","92.506","0.008","90","","1613.4","1.2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cl N2 O -","- C19 H17 Cl N2 O -","- C76 H68 Cl4 N8 O4 -","4","1","","Bin Li; Jianfeng Ma; Weijia Xie; Haibin Song; Shansheng Xu; Baiquan Wang","Ruthenium-Catalyzed Regioselective C2 Alkenylation of Indoles and Pyrroles via C-H Bond Functionalization","Journal of Organic Chemistry","2013","78","","9345","9353","10.1021/jo401579m","","","0.71073","MoKα","","0.0558","0.0459","","","0.1041","0.1099","","","","","","1.085","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028622","9.293","0.007","9.394","0.007","9.908","0.007","100.73","","114.079","0.01","108.951","0.009","694.2","0.9","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C32 H36 N4 O4 -","2","1","","Bin Li; Jianfeng Ma; Weijia Xie; Haibin Song; Shansheng Xu; Baiquan Wang","Ruthenium-Catalyzed Regioselective C2 Alkenylation of Indoles and Pyrroles via C-H Bond Functionalization","Journal of Organic Chemistry","2013","78","","9345","9353","10.1021/jo401579m","","","0.71073","MoKα","","0.0645","0.0366","","","0.079","0.0855","","","","","","1.014","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028623","6.0255","0.0003","16.0531","0.0009","11.7146","0.0006","90","","90.119","0.002","90","","1133.13","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H26 Br N3 O6 -","- C20 H26 Br N3 O6 -","- C40 H52 Br2 N6 O12 -","2","1","","Mei-Xin Zhao; Hong-Lei Bi; Hao Zhou; Hui Yang; Min Shi","Cinchona Alkaloid Squaramide Catalyzed Enantioselective Hydrazination/Cyclization Cascade Reaction of α-Isocyanoacetates and Azodicarboxylates: Synthesis of Optically Active 1,2,4-Triazolines","Journal of Organic Chemistry","2013","78","","9377","9382","10.1021/jo401585v","","","0.71073","MoKα","","0.0671","0.0577","","","0.152","0.1613","","","","","","1.051","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028624","16.8589","0.0008","5.7629","0.0002","17.1929","0.0008","90","","97.666","0.003","90","","1655.47","0.12","93","2","93","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H18 Cl N3 O -","- C19 H18 Cl N3 O -","- C76 H72 Cl4 N12 O4 -","4","1","","Takahiro Sawano; Keiyu Ou; Takahiro Nishimura; Tamio Hayashi","Cobalt-Catalyzed Asymmetric Addition of Silylacetylenes to 1,1-Disubstituted Allenes","Journal of Organic Chemistry","2013","78","","8986","8993","10.1021/jo401604n","","","1.54187","CuKα","","0.1483","0.0734","","","0.1445","0.2062","","","","","","1.087","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028625","10.2955","0.0019","21.256","0.004","8.892","0.0017","90","","91.858","0.005","90","","1944.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O6 -","- C23 H19 N O6 -","- C92 H76 N4 O24 -","4","1","","Yu-Jin Li; Huan-Ming Huang; Hua-Qing Dong; Jian-Hong Jia; Liang Han; Qing Ye; Jian-Rong Gao","The Synthesis of Benzo[f]isoindole-1,3-dicarboxylates via an I2-Induced 1,3-Dipolar Cycloaddition Reaction","Journal of Organic Chemistry","2013","78","","9424","9430","10.1021/jo401652k","","","0.71073","MoKα","","0.078","0.0489","","","0.1367","0.1605","","","","","","1.067","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028626","6.079","0.002","27.279","0.01","41.157","0.015","90","","90","","90","","6825","4","100","0.5","100","0.5","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","frojc03","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C312 H348 N12 O60 -","12","3","","Jennifer Ciesielski; Vincent Gandon; Alison J. Frontier","Cascade Cyclizations of Acyclic and Macrocyclic Alkynones: Studies toward the Synthesis of Phomactin A","Journal of Organic Chemistry","2013","78","","9541","9552","10.1021/jo4007514","","","0.71073","MoKα","","0.1624","0.0642","","","0.0973","0.1257","","","","","","1.004","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028627","11.4553","0.0002","8.5264","0.0001","16.0262","0.0003","90","","104.796","0.001","90","","1513.41","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O -","- C19 H17 N3 O -","- C76 H68 N12 O4 -","4","1","","Sandra Milosevic; Antonio Togni","Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines to Unsaturated Nitriles Catalyzed by NiII-Pigiphos","Journal of Organic Chemistry","2013","78","","9638","9646","10.1021/jo401247d","","","0.71073","MoKα","","0.0639","0.0428","","","0.1001","0.1089","","","","","","1.017","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028628","19.3207","0.0008","19.3207","0.0008","8.1719","0.0005","90","","90","","120","","2641.8","0.2","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C19 H16 Br N3 O -","- C19 H16 Br N3 O -","- C114 H96 Br6 N18 O6 -","6","1","","Sandra Milosevic; Antonio Togni","Enantioselective 1,3-Dipolar Cycloaddition of C,N-Cyclic Azomethine Imines to Unsaturated Nitriles Catalyzed by NiII-Pigiphos","Journal of Organic Chemistry","2013","78","","9638","9646","10.1021/jo401247d","","","0.71073","MoKα","","0.0421","0.0328","","","0.0718","0.0742","","","","","","1.049","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028629","8.3131","0.0013","13.596","0.002","15.136","0.002","90","","90","","90","","1710.7","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Chih-Hau Chen; Gorakh S. Yellol; Cheng-Hsun Tsai; Prashant B. Dalvi; Chung-Ming Sun","Diastereoselective Synthesis of Bridged Polycyclic Alkaloids via Tandem Acylation/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","9738","9747","10.1021/jo401364s","","","0.71073","MoKα","","0.0419","0.0334","","","0.0797","0.0839","","","","","","1.082","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028630","11.0066","0.0007","10.7812","0.0006","17.4741","0.001","90","","96.936","0.001","90","","2058.4","0.2","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O6 -","- C23 H22 N2 O6 -","- C92 H88 N8 O24 -","4","1","","Chih-Hau Chen; Gorakh S. Yellol; Cheng-Hsun Tsai; Prashant B. Dalvi; Chung-Ming Sun","Diastereoselective Synthesis of Bridged Polycyclic Alkaloids via Tandem Acylation/Intramolecular Diels-Alder Reaction","Journal of Organic Chemistry","2013","78","","9738","9747","10.1021/jo401364s","","x-ray","0.71073","MoKα","","0.05","0.0424","","","0.1351","0.1422","","","","","","1.399","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028631","17.627","0.004","16.321","0.004","5.5951","0.0012","90","","90","","90","","1609.7","0.6","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H19 N -","- C23 H19 N -","- C92 H76 N4 -","4","1","","Estela Álvarez; Patricia García-García; Manuel A. Fernández-Rodríguez; Roberto Sanz","Regioselective Synthesis of Elusive 4,9-Dihydro-1H-Carbazoles by Gold-Catalyzed Cycloisomerization of 3-Allenylmethylindoles","Journal of Organic Chemistry","2013","78","","9758","9771","10.1021/jo401388b","","","0.71073","MoKα","","0.0359","0.0337","","","0.0803","0.0828","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028632","16.1213","0.0019","9.1571","0.0011","16.935","0.002","90","","98.899","0.002","90","","2469.9","0.5","90","2","90","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C46 H76 N8 O11 -","- C46 H76 N8 O11 -","- C92 H152 N16 O22 -","2","1","","Norikazu Yamazaki; Yosuke Demizu; Yukiko Sato; Mitsunobu Doi; Masaaki Kurihara","Helical Foldamer Containing a Combination of Cyclopentane-1,2-diamine and 2,2-Dimethylmalonic Acid","Journal of Organic Chemistry","2013","78","","9991","9994","10.1021/jo401505b","","","0.71073","MoKα","","0.0708","0.0695","","","0.185","0.1862","","","","","","1.211","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028633","9.6333","0.0011","35.622","0.004","10.5239","0.0012","90","","93.74","0.002","90","","3603.7","0.7","90","0.2","90","0.2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","","","- C59 H95 Cl9 N10 O13 -","- C59 H95 Cl9 N10 O13 -","- C118 H190 Cl18 N20 O26 -","2","1","","Norikazu Yamazaki; Yosuke Demizu; Yukiko Sato; Mitsunobu Doi; Masaaki Kurihara","Helical Foldamer Containing a Combination of Cyclopentane-1,2-diamine and 2,2-Dimethylmalonic Acid","Journal of Organic Chemistry","2013","78","","9991","9994","10.1021/jo401505b","","","0.71073","MoKα","","0.0385","0.0377","","","0.1017","0.1022","","","","","","1.028","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028634","16.235","0.002","9.2834","0.0012","17.084","0.002","90","","98.923","0.002","90","","2543.7","0.5","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C46 H76 N8 O11 -","- C46 H76 N8 O11 -","- C92 H152 N16 O22 -","2","1","","Norikazu Yamazaki; Yosuke Demizu; Yukiko Sato; Mitsunobu Doi; Masaaki Kurihara","Helical Foldamer Containing a Combination of Cyclopentane-1,2-diamine and 2,2-Dimethylmalonic Acid","Journal of Organic Chemistry","2013","78","","9991","9994","10.1021/jo401505b","","","0.71073","MoKα","","0.0538","0.0475","","","0.1309","0.1347","","","","","","1.035","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028635","7.4578","0.0007","9.7077","0.0008","50.505","0.004","90","","90","","90","","3656.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 Cl0 N2 O2 -","- C9.06667 H19.2 Cl0.533333 N0.533333 -","- C136 H288 Cl8 N8 -","15","3.75","","Veerle Smout; Aldo Peschiulli; Stefan Verbeeck; Emily A. Mitchell; Wouter Herrebout; Patrick Bultinck; Christophe M. L. Vande Velde; Didier Berthelot; Lieven Meerpoel; Bert U. W. Maes","Removal of the Pyridine Directing Group from α-Substituted N-(Pyridin-2-yl)piperidines Obtained via Directed Ru-Catalyzed sp3 C-H Functionalization","Journal of Organic Chemistry","2013","78","","9803","9814","10.1021/jo401521y","","","0.71073","MoKα","","0.0679","0.0519","","","0.1166","0.1274","","","","","","1.063","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028636","10.5263","0.0012","8.212","0.001","31.305","0.004","90","","97.253","0.002","90","","2684.4","0.6","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Cl N2 O8 -","- C28 H35 Cl N2 O8 -","- C112 H140 Cl4 N8 O32 -","4","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.1529","0.0658","","","0.142","0.1663","","","","","","0.99","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028637","6.536","0.001","15.092","0.002","16.092","0.003","114.521","0.003","99.953","0.003","93.66","0.003","1406.1","0.4","120","0.2","120","0.2","","","","","","","","5","P 1","P 1","1","","","","- C29 H37 I N2 O4 -","- C29 H37 I N2 O4 -","- C58 H74 I2 N4 O8 -","2","2","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.0679","0.0619","","","0.149","0.1521","","","","","","1.091","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028638","9.0052","0.0008","10.7537","0.0009","13.4745","0.0012","85.777","0.003","84.127","0.003","85.136","0.003","1290.6","0.2","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H35 I N2 O5 -","- C25 H35 I N2 O5 -","- C50 H70 I2 N4 O10 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.0849","0.0584","","","0.1583","0.1713","","","","","","1.043","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028639","8.9466","0.0008","10.8772","0.0009","13.6319","0.0012","85.65","0.005","84.387","0.005","85.205","0.005","1312.5","0.2","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H35 Cl N2 O9 -","- C25 H35 Cl N2 O9 -","- C50 H70 Cl2 N4 O18 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.1807","0.0813","","","0.1898","0.2245","","","","","","0.902","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028640","9.0412","0.0003","20.3132","0.0006","17.2983","0.0005","90","","101.284","0.001","90","","3115.52","0.17","120","0.2","120","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 Cl2 Li N2 O13 S -","- C26 H35 Cl2 Li N2 O13 S -","- C104 H140 Cl8 Li4 N8 O52 S4 -","4","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.0638","0.044","","","0.1115","0.1196","","","","","","1.046","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028641","8.7392","0.0008","12.4179","0.0011","17.0087","0.0015","75.226","0.004","80.385","0.004","84.548","0.004","1757.1","0.3","120","0.2","120","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H37 Ba Cl3 N2 O18 S -","- C26 H37 Ba Cl3 N2 O18 S -","- C52 H74 Ba2 Cl6 N4 O36 S2 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.1734","0.0885","","","0.1862","0.2162","","","","","","0.916","","","","has coordinates,has disorder","189187","2020-10-21","18:00:00",""
"4028642","7.091","0.0009","14.0438","0.0015","17.133","0.002","98.366","0.01","93.94","0.007","94.9","0.006","1676.2","0.3","120","0.2","120","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H41 Cl2 Li N2 O14 -","- C30 H41 Cl2 Li N2 O14 -","- C60 H82 Cl4 Li2 N4 O28 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","1.54178","CuKα","","0.1819","0.1717","","","0.4619","0.4658","","","","","","1.18","","","","has coordinates","189187","2020-10-21","18:00:00",""
"4028643","8.3396","0.0006","9.657","0.0008","21.7107","0.0017","94.045","0.004","99.674","0.004","100.827","0.004","1683.5","0.2","120","0.2","120","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 Cl2 N2 Na O13 -","- C30 H39 Cl2 N2 Na O13 -","- C60 H78 Cl4 N4 Na2 O26 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.1726","0.1069","","","0.2009","0.2193","","","","","","1.098","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028644","8.8035","0.0003","9.5442","0.0003","23.1098","0.0008","90.879","0.002","98.589","0.002","115.328","0.002","1728.57","0.11","120","0.2","120","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl2 K N2 O13.5 -","- C30 H40 Cl2 K N2 O13.5 -","- C60 H80 Cl4 K2 N4 O27 -","2","1","","Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov","Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes","Journal of Organic Chemistry","2013","78","","9834","9847","10.1021/jo401555a","","","0.71073","MoKα","","0.166","0.0964","","","0.2698","0.3077","","","","","","1.074","","","","has coordinates,has disorder","189187","2020-10-21","18:00:00",""
"4028645","8.2473","0.0002","10.037","0.0002","13.0591","0.0002","69.311","0.0012","79.7077","0.0014","70.2086","0.0012","949.42","0.03","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C9 H9 Br O4 -","- C9 H9 Br O4 -","- C36 H36 Br4 O16 -","4","2","","Aymeric Cervi; Paul Aillard; Nourallah Hazeri; Laurent Petit; Christina L. L. Chai; Anthony C. Willis; Martin G. Banwell","Total Syntheses of the Coumarin-Containing Natural Products Pimpinellin and Fraxetin Using Au(I)-Catalyzed Intramolecular Hydroarylation (IMHA) Chemistry","Journal of Organic Chemistry","2013","78","","9876","9882","10.1021/jo401583q","","","0.71073","MoKα","","0.0368","0.0298","","0.076","0.0717","0.076","","","","","","1.0162","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028646","8.5088","0.0007","15.6234","0.0015","18.1523","0.0013","112.714","0.004","95.776","0.005","104.045","0.004","2107.9","0.3","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C20 H30 O4 Si -","- C20 H30 O4 Si -","- C80 H120 O16 Si4 -","4","2","","Aymeric Cervi; Paul Aillard; Nourallah Hazeri; Laurent Petit; Christina L. L. Chai; Anthony C. Willis; Martin G. Banwell","Total Syntheses of the Coumarin-Containing Natural Products Pimpinellin and Fraxetin Using Au(I)-Catalyzed Intramolecular Hydroarylation (IMHA) Chemistry","Journal of Organic Chemistry","2013","78","","9876","9882","10.1021/jo401583q","","","0.71073","MoKα","","0.1945","0.0876","","0.2514","0.1886","0.2514","","","","","","0.9392","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028647","12.7674","0.0003","6.7691","0.0002","16.1154","0.0005","90","","99.797","0.002","90","","1372.44","0.07","200","","200","","","","","","","","local","3","P 1 21/a 1","-P 2yab","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Aymeric Cervi; Paul Aillard; Nourallah Hazeri; Laurent Petit; Christina L. L. Chai; Anthony C. Willis; Martin G. Banwell","Total Syntheses of the Coumarin-Containing Natural Products Pimpinellin and Fraxetin Using Au(I)-Catalyzed Intramolecular Hydroarylation (IMHA) Chemistry","Journal of Organic Chemistry","2013","78","","9876","9882","10.1021/jo401583q","","","0.71073","MoKα","","0.073","0.0554","","0.1298","0.1209","0.1298","","","","","","1.0458","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028648","10.878","0.002","9.082","0.0018","16.052","0.003","90","","105.74","0.03","90","","1526.4","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 O2 -","- C17 H28 O2 -","- C68 H112 O8 -","4","1","","A. Fernández-Mateos; S. Encinas Madrazo; P. Herrero Teijón; R. Rabanedo Clemente; R. Rubio González; F. Sanz González","Synthesis of the BCDE Molecular Fragment of Azadiradione Mediated by Titanocene(III)","Journal of Organic Chemistry","2013","78","","9571","9578","10.1021/jo401646g","","","1.5418","CuKα","","0.0459","0.038","","","0.097","0.1015","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028649","6.327","0.0013","16.604","0.003","16.389","0.003","90","","96.42","0.03","90","","1710.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 O3 -","- C19 H30 O3 -","- C76 H120 O12 -","4","1","","A. Fernández-Mateos; S. Encinas Madrazo; P. Herrero Teijón; R. Rabanedo Clemente; R. Rubio González; F. Sanz González","Synthesis of the BCDE Molecular Fragment of Azadiradione Mediated by Titanocene(III)","Journal of Organic Chemistry","2013","78","","9571","9578","10.1021/jo401646g","","","1.5418","CuKα","","0.1897","0.0498","","","0.0558","0.0867","","","","","","0.71","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028650","6.715","0.0013","11.402","0.002","13.724","0.003","86.58","0.03","86.95","0.03","74.18","0.03","1008.4","0.4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 O4 -","- C23 H32 O4 -","- C46 H64 O8 -","2","1","","A. Fernández-Mateos; S. Encinas Madrazo; P. Herrero Teijón; R. Rabanedo Clemente; R. Rubio González; F. Sanz González","Synthesis of the BCDE Molecular Fragment of Azadiradione Mediated by Titanocene(III)","Journal of Organic Chemistry","2013","78","","9571","9578","10.1021/jo401646g","","","1.5418","CuKα","","0.1318","0.0554","","","0.1337","0.235","","","","","","0.937","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028651","16.3251","0.0004","6.732","0.0002","21.6139","0.0005","90","","90","","90","","2375.38","0.11","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C120 H80 N32 -","8","1","","Styliana I. Mirallai; Manolis J. Manos; Panayiotis A. Koutentis","One-Step Conversion of 2-Amino-N'-arylbenzamidines into 3-Aryl-4-imino-3,4-dihydroquinazoline-2-carbonitriles Using 4,5-Dichloro-1,2,3-dithiazolium Chloride","Journal of Organic Chemistry","2013","78","","9906","9913","10.1021/jo401648t","","","0.71073","MoKα","","0.0425","0.0363","","","0.1096","0.1119","","","","","","1.08","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028652","14.026","0.003","13.368","0.003","8.2002","0.0016","90","","103.569","0.003","90","","1494.6","0.5","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 I N O5 -","- C14 H14 I N O5 -","- C56 H56 I4 N4 O20 -","4","1","","Anthony J. Pearson; Santanu Panda; Scott D. Bunge","Synthesis of a Potential Intermediate for TMC-95A via an Organocatalyzed Aldol Reaction","Journal of Organic Chemistry","2013","78","","9921","9928","10.1021/jo4017315","","","0.71073","MoKα","","0.0628","0.0592","","","0.2111","0.2162","","","","","","1.873","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028653","8.615","0.0007","10.6071","0.0009","11.8897","0.001","90","","90","","90","","1086.48","0.16","163","2","163","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Br N -","- C10 H18 Br N -","- C40 H72 Br4 N4 -","4","1","","Zachary D. Aron; Tatsuya Ito; Tricia L. May; Larry E. Overman; Jocelyn Wang","Enantioselective Synthesis of Angularly Substituted 1-Azabicylic Rings: Coupled Dynamic Kinetic Epimerization and Chirality Transfer","Journal of Organic Chemistry","2013","78","","9929","9948","10.1021/jo4018099","","","0.71073","MoKα","","0.0225","0.0214","","","0.0573","0.0581","","","","","","1.062","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028654","6.5683","0.0016","13.156","0.003","13.674","0.003","90","","90","","90","","1181.6","0.5","158","2","158","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Br N -","- C11 H20 Br N -","- C44 H80 Br4 N4 -","4","1","","Zachary D. Aron; Tatsuya Ito; Tricia L. May; Larry E. Overman; Jocelyn Wang","Enantioselective Synthesis of Angularly Substituted 1-Azabicylic Rings: Coupled Dynamic Kinetic Epimerization and Chirality Transfer","Journal of Organic Chemistry","2013","78","","9929","9948","10.1021/jo4018099","","","0.71073","MoKα","","0.0349","0.0295","","","0.0718","0.0737","","","","","","1.093","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028655","12.268","0.001","12.573","0.0008","18.1872","0.0011","88.879","0.005","77.687","0.006","63.913","0.007","2452.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H38 Cl6 N6 O2 Zn -","- C54 H38 Cl6 N6 O2 Zn -","- C108 H76 Cl12 N12 O4 Zn2 -","2","1","","Liguo Yang; Yang Zhou; Mengliang Zhu; Luyang Zhao; Liye Wei; Yongzhong Bian","Stereochemistry and Solid-State Structure of an Intrinsically Chiral Meso-Patterned Porphyrin: Case Study by NMR and Single-Crystal X-ray Diffraction Analysis","Journal of Organic Chemistry","2013","78","","9949","9955","10.1021/jo401825k","","","1.54178","CuKα","","0.1106","0.0925","","","0.2593","0.2754","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4028656","18.721","0.003","13.4029","0.0011","20.59","0.003","90","","115.365","0.017","90","","4668.3","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C53 H40 Cl3 N5 O4 Zn -","- C53 H40 Cl3 N5 O4 Zn -","- C212 H160 Cl12 N20 O16 Zn4 -","4","2","","Liguo Yang; Yang Zhou; Mengliang Zhu; Luyang Zhao; Liye Wei; Yongzhong Bian","Stereochemistry and Solid-State Structure of an Intrinsically Chiral Meso-Patterned Porphyrin: Case Study by NMR and Single-Crystal X-ray Diffraction Analysis","Journal of Organic Chemistry","2013","78","","9949","9955","10.1021/jo401825k","","","0.71073","MoKα","","0.1872","0.0866","","","0.136","0.1661","","","","","","0.936","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028657","8.3822","0.0002","10.6016","0.0002","12.8429","0.0003","90","","90.375","0.002","90","","1141.26","0.04","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 O P -","- C14 H13 O P -","- C56 H52 O4 P4 -","4","2","","Damien J. Carr; Jaya Satyanarayana Kudavalli; Katherine S. Dunne; Helge Müller-Bunz; Declan G. Gilheany","Synthesis of 2,3-Dihydro-1-phenylbenzo[b]phosphole (1-Phenylphosphindane) and Its Use as a Mechanistic Test in the Asymmetric Appel Reaction: Decisive Evidence against Involvement of Pseudorotation in the Stereoselecting Step","Journal of Organic Chemistry","2013","78","","10500","10505","10.1021/jo401318g","","","0.71073","MoKα","","0.0344","0.0314","","","0.068","0.0704","","","","","","1.062","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028658","9.373","0.003","12.019","0.004","13.078","0.004","108.637","0.005","95.801","0.006","95.605","0.004","1375.6","0.8","100","2","100","2","","","101.325","","","","University Of Vienna, Department of Analytical Chemistry","6","P -1","-P 1","2","","Methylhydrogen[2-({2-[(2,6-dimethylphenyl)amino]-2-oxo-1-phenylethyl}amino) propane-2-yl]phosphonate","","- C24 H39 N2 O6 P S2 -","- C24 H39 N2 O6 P S2 -","- C48 H78 N4 O12 P2 S4 -","2","1","","Andrea F. G. Gargano; Stefanie Buchinger; Michal Kohout; Wolfgang Lindner; Michael Lämmerhofer","Single-Step Ugi Multicomponent Reaction for the Synthesis of Phosphopeptidomimetics","Journal of Organic Chemistry","2013","78","","10077","10087","10.1021/jo401372x","","x-ray","0.71073","","","0.1056","0.0691","","","0.1179","0.132","","","","","","1.093","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028659","10.433","0.005","24.96","0.005","8.832","0.005","90","","93.07","0.005","90","","2296.6","1.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rohanester","","","- C28 H30 N2 O2 -","- C28 H30 N2 O2 -","- C112 H120 N8 O8 -","4","1","","Dattatraya H. Dethe; Rohan D. Erande; Alok Ranjan","Biomimetic Total Syntheses of Borreverine and Flinderole Alkaloids","Journal of Organic Chemistry","2013","78","","10106","10120","10.1021/jo4013833","","","0.71069","MoKα","","0.0556","0.0451","","","0.1127","0.121","","","","","","1.042","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028660","16.964","0.003","5.8359","0.001","12.553","0.002","90","","99.922","0.002","90","","1224.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F O2 -","- C17 H11 F O2 -","- C68 H44 F4 O8 -","4","1","","Yan He; Xinying Zhang; Nana Shen; Xuesen Fan","Tunable Synthesis of 3-Acyl-2-naphthols and 3-Substituted Isocoumarins via Jones Reagent Promoted Cascade Reactions of 2-(4-Hydroxy-but-1-ynyl)benzaldehydes","Journal of Organic Chemistry","2013","78","","10178","10191","10.1021/jo401502k","","","0.71073","MoKα","","0.0577","0.0382","","","0.0859","0.0979","","","","","","1.043","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028661","9.5226","0.0007","7.2796","0.0006","14.9337","0.0011","90","","98.656","0.003","90","","1023.42","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O5 -","- C25 H23 N O5 -","- C50 H46 N2 O10 -","2","1","","Zhijie Mao; Aijun Lin; Yan Shi; Haibin Mao; Weipeng Li; Yixiang Cheng; Chengjian Zhu","Chiral Tertiary Amine Thiourea-Catalyzed Asymmetric Inverse-Electron-Demand Diels-Alder Reaction of Chromone Heterodienes Using 3-Vinylindoles as Dienophiles","Journal of Organic Chemistry","2013","78","","10233","10239","10.1021/jo401592w","","","1.54178","CuKα","","0.0321","0.0316","","","0.0875","0.0881","","","","","","1.063","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028662","11.9456","0.0011","12.2757","0.0012","18.78","0.002","90","","90","","90","","2753.9","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","2","","Jing Long; Ya-Hui Ding; Pan-Pan Wang; Quan Zhang; Yue Chen","Protection-Group-Free Semisyntheses of Parthenolide and Its Cyclopropyl Analogue","Journal of Organic Chemistry","2013","78","","10512","10518","10.1021/jo401606q","","","1.54187","CuKα","","0.0737","0.0683","","","0.1403","0.1499","","","","","","1.085","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028663","6.8519","0.0015","13.52","0.003","14.696","0.003","90","","90","","90","","1361.4","0.5","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Jing Long; Ya-Hui Ding; Pan-Pan Wang; Quan Zhang; Yue Chen","Protection-Group-Free Semisyntheses of Parthenolide and Its Cyclopropyl Analogue","Journal of Organic Chemistry","2013","78","","10512","10518","10.1021/jo401606q","","","0.71073","MoKα","","0.0362","0.032","","","0.071","0.0723","","","","","","1.037","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028664","10.0155","0.0009","12.2702","0.0011","17.6705","0.0015","90","","98.496","0","90","","2147.7","0.3","293","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","2,3-diphenyl-4-(phenylethynyl)-3,4-dihydroquinazoline.","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","2","","R. Arun Kumar; G. Saidulu; Balasubramanian Sridhar; Shiuh Tzung Liu; K. Rajender Reddy","Copper-Catalyzed Activation of α-Amino Peroxy and Hydroxy Intermediates to Iminium Ion Precursor: An Access to C4-Substituted 3,4-Dihydroquinazolines via Oxidative Cross Coupling Strategy","Journal of Organic Chemistry","2013","78","","10240","10250","10.1021/jo401622r","","","0.71073","MoKα","","0.0311","0.0291","","","0.0752","0.0773","","","","","","1.101","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028665","11.7756","0.0007","14.3426","0.0008","18.5462","0.0011","90","","90","","90","","3132.3","0.3","294","2","294","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","4-(5-nitro-1H-indol-3-yl)-2,3-diphenyl-3,4-dihydroquinazoline","","- C30 H22 Cl6 N4 O2 -","- C30 H22 Cl6 N4 O2 -","- C120 H88 Cl24 N16 O8 -","4","1","","R. Arun Kumar; G. Saidulu; Balasubramanian Sridhar; Shiuh Tzung Liu; K. Rajender Reddy","Copper-Catalyzed Activation of α-Amino Peroxy and Hydroxy Intermediates to Iminium Ion Precursor: An Access to C4-Substituted 3,4-Dihydroquinazolines via Oxidative Cross Coupling Strategy","Journal of Organic Chemistry","2013","78","","10240","10250","10.1021/jo401622r","","","0.71073","MoKα","","0.0939","0.0797","","","0.2195","0.2342","","","","","","1.035","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028666","9.7121","0.0011","14.0265","0.0015","18.387","0.002","102.35","0.002","105.074","0.002","107.157","0.002","2193.4","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","2-(2,3-diphenyl-3,4-dihydroquinazolin-4-yl)-1-phenylethanone","","- C28 H22 N2 O -","- C28 H22 N2 O -","- C112 H88 N8 O4 -","4","2","","R. Arun Kumar; G. Saidulu; Balasubramanian Sridhar; Shiuh Tzung Liu; K. Rajender Reddy","Copper-Catalyzed Activation of α-Amino Peroxy and Hydroxy Intermediates to Iminium Ion Precursor: An Access to C4-Substituted 3,4-Dihydroquinazolines via Oxidative Cross Coupling Strategy","Journal of Organic Chemistry","2013","78","","10240","10250","10.1021/jo401622r","","","0.71073","MoKα","","0.0684","0.0432","","","0.1083","0.1251","","","","","","1.016","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028667","15.6578","0.0002","9.2645","0.0001","26.7527","0.0003","90","","141.126","0.001","90","","2435.62","0.07","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 N O5 P -","- C21 H38 N O5 P -","- C84 H152 N4 O20 P4 -","4","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.081","0.0623","","","0.1645","0.1805","","","","","","1.032","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028668","8.5099","0.0002","10.6736","0.0003","14.6871","0.0005","93.028","0.001","105.023","0.001","92.048","0.002","1284.96","0.06","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C22 H40 N O5 P -","- C22 H40 N O5 P -","- C44 H80 N2 O10 P2 -","2","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.114","0.0678","","","0.1512","0.1784","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028669","8.5111","0.0002","11.5511","0.0003","14.0074","0.0004","90.043","0.0008","97.5179","0.0009","103.211","0.002","1328.46","0.06","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H40 N O6 P -","- C23 H40 N O6 P -","- C46 H80 N2 O12 P2 -","2","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.0883","0.0624","","","0.1737","0.2046","","","","","","1.141","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028670","11.6028","0.0006","33.574","0.002","12.8315","0.0008","90","","99.94","0.002","90","","4923.5","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 N O5 P -","- C21 H38 N O5 P -","- C168 H304 N8 O40 P8 -","8","2","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.3037","0.1465","","","0.3201","0.421","","","","","","1.047","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028671","8.1829","0.0002","37.5161","0.0008","8.6128","0.0002","90","","108.326","0.001","90","","2509.95","0.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 N O5 P -","- C22 H40 N O5 P -","- C88 H160 N4 O20 P4 -","4","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.0976","0.0682","","","0.1849","0.2131","","","","","","1.149","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028672","9.8626","0.0002","12.0215","0.0003","12.6871","0.0004","83.195","0.001","70.494","0.001","69.459","0.001","1327.74","0.06","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H40 N O6 P -","- C23 H40 N O6 P -","- C46 H80 N2 O12 P2 -","2","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.1365","0.0764","","","0.2049","0.2643","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028673","34.8838","0.0004","9.9827","0.0002","20.1591","0.0003","90","","121.084","0.001","90","","6012.09","0.18","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 N O6 P -","- C28 H42 N O6 P -","- C224 H336 N8 O48 P8 -","8","1","","Paul Brémond; Teddy Butscher; Valérie Roubaud; Didier Siri; Stéphane Viel","Intramolecular Hydrogen Bond in Alkoxyamines. Influence on the C-ON Bond Homolysis","Journal of Organic Chemistry","2013","78","","10524","10529","10.1021/jo401681w","","x-ray","0.71073","MoKα","","0.1181","0.0743","","","0.1898","0.2265","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028674","8.411","0.002","10.24","0.003","30.534","0.008","90","","90","","90","","2629.9","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O8 -","- C24 H40 N2 O8 -","- C96 H160 N8 O32 -","4","1","","Jian-She Zhu; Shinpei Nakagawa; Wei Chen; Isao Adachi; Yue-Mei Jia; Xiang-Guo Hu; George W. J. Fleet; Francis X. Wilson; Teruhiko Nitoda; Graeme Horne; Renate van Well; Atsushi Kato; Chu-Yi Yu","Synthesis of Eight Stereoisomers of Pochonicine: Nanomolar Inhibition of β-N-Acetylhexosaminidases","Journal of Organic Chemistry","2013","78","","10298","10309","10.1021/jo401694e","","","0.71073","MoKα","","0.0418","0.0398","","","0.1056","0.1136","","","","","","1.172","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028675","20.32","0.003","20.32","0.003","8.7899","0.0018","90","","90","","90","","3629.4","1.1","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C19 H18 Br Cl N2 -","- C19 H18 Br Cl N2 -","- C152 H144 Br8 Cl8 N16 -","8","1","","Bifu Liu; Hanling Gao; Yue Yu; Wanqing Wu; Huanfeng Jiang","Palladium-Catalyzed Intermolecular Aerobic Oxidative Cyclization of 2-Ethynylanilines with Isocyanides: Regioselective Synthesis of 4-Halo-2-aminoquinolines","Journal of Organic Chemistry","2013","78","","10319","10328","10.1021/jo401707j","","","0.71073","MoKα","","0.0726","0.0506","","","0.1456","0.159","","","","","","1.017","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028676","9.806","0.003","15.377","0.005","24.836","0.008","88.03","0.004","88.733","0.004","82.218","0.004","3708","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N2 O0 -","- C33 H26 N2 -","- C198 H156 N12 -","6","3","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.3235","0.0769","","","0.1007","0.15","","","","","","0.976","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028677","10.872","0.01","38.16","0.04","11.993","0.011","90","","103.084","0.014","90","","4846","8","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 N3 -","- C32 H25 N3 -","- C256 H200 N24 -","8","2","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.1467","0.0521","","","0.0935","0.1147","","","","","","1.006","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028678","9.488","0.005","9.065","0.005","29.064","0.005","90","0.005","98.599","0.005","90","0.005","2471.7","1.9","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- C32 H25 N3 -","- C32 H25 N3 -","- C128 H100 N12 -","4","4","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71069","MoKα","","0.0731","0.0517","","","0.1368","0.1558","","","","","","1.081","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028679","9.7586","0.0012","15.4226","0.0019","24.439","0.003","88.839","0.002","89.37","0.002","82.413","0.002","3645.1","0.8","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H25 N3 -","- C32 H25 N3 -","- C192 H150 N18 -","6","3","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.1438","0.0535","","","0.1265","0.1875","","","","","","0.93","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028680","10.453","","15.215","","24.84","","98.78","","97.42","","95.99","","3840.47","","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H26 N2 O -","- C33 H26 N2 O -","- C198 H156 N12 O6 -","6","3","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.2291","0.1109","","","0.2977","0.3433","","","","","","1.485","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028681","9.289","0.005","9.45","0.005","17.389","0.005","83.091","0.005","89.713","0.005","74.588","0.005","1460.3","1.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H35 N3 -","- C37 H35 N3 -","- C74 H70 N6 -","2","1","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71069","MoKα","","0.0569","0.0447","","","0.1429","0.1589","","","","","","1.146","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028682","9.2815","0.001","9.4972","0.001","17.4636","0.0019","83.778","0.001","89.848","0.002","74.469","0.001","1473.9","0.3","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H35 N3 O -","- C37 H35 N3 O -","- C74 H70 N6 O2 -","2","1","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.0869","0.0508","","","0.1353","0.1703","","","","","","1.049","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028683","24.174","0.005","9.8145","0.0019","11.092","0.002","90","","99.977","0.003","90","","2591.8","0.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N2 O -","- C34 H28 N2 O -","- C136 H112 N8 O4 -","4","1","","Mingdi Yang; Dongling Xu; Wengang Xi; Lianke Wang; Jun Zheng; Jing Huang; Jingyan Zhang; Hongping Zhou; Jieying Wu; Yupeng Tian","Aggregation-Induced Fluorescence Behavior of Triphenylamine-Based Schiff Bases: The Combined Effect of Multiple Forces","Journal of Organic Chemistry","2013","78","","10344","10359","10.1021/jo401719c","","","0.71073","MoKα","","0.1302","0.0691","","","0.2151","0.2915","","","","","","0.95","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028684","6.965","0.0003","8.1765","0.0003","8.7646","0.0003","90","","99.001","0.001","90","","492.99","0.03","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H8 Br2 O3 -","- C9 H8 Br2 O3 -","- C18 H16 Br4 O6 -","2","1","","Michael D. VanHeyst; E. Zachary Oblak; Dennis L. Wright","Stereodivergent Resolution of Oxabicyclic Ketones: Preparation of Key Intermediates for Platensimycin and Other Natural Products","Journal of Organic Chemistry","2013","78","","10555","10559","10.1021/jo4017502","","","1.54178","CuKα","","0.044","0.044","","","0.1144","0.1144","","","","","","1.16","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028685","6.094","0.0005","16.4155","0.0018","19.6133","0.0012","90","","90","","90","","1962","0.3","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N O4 P S -","- C19 H22 N O4 P S -","- C76 H88 N4 O16 P4 S4 -","4","1","","Wen-Yong Han; Jian-Qiang Zhao; Zhi-Jun Wu; Xiao-Mei Zhang; Wei-Cheng Yuan","Asymmetric Synthesis of β-Hydroxy-α-amino Phosphonic Acid Derivatives via Organocatalytic Direct Aldol Reaction of α-Isothiocyanato Phosphonates with Aldehydes","Journal of Organic Chemistry","2013","78","","10541","10547","10.1021/jo401779x","","","0.71073","MoKα","","0.1007","0.0611","","","0.1313","0.158","","","","","","1.019","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028686","10.9516","0.0007","7.0293","0.0004","21.4714","0.0013","90","","99.065","0.004","90","","1632.27","0.17","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Seema Dhiman; S. S. V. Ramasastry","Acid Catalyzed Ring Transformation of Benzofurans to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2013","78","","10427","10436","10.1021/jo4018233","","","0.71073","MoKα","","0.1336","0.0799","","","0.2048","0.2358","","","","","","1.031","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028687","7.3627","0.001","16.577","0.002","11.7672","0.0016","90","","93.907","0.007","90","","1432.9","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O3 -","- C16 H18 O3 -","- C64 H72 O12 -","4","1","","Seema Dhiman; S. S. V. Ramasastry","Acid Catalyzed Ring Transformation of Benzofurans to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2013","78","","10427","10436","10.1021/jo4018233","","","0.71073","MoKα","","0.087","0.067","","","0.2004","0.2224","","","","","","1.045","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028688","10.4834","0.0005","10.8984","0.0005","11.9384","0.0006","63.43","0.003","69.213","0.003","73.77","0.003","1128.57","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H19 N O3 -","- C31 H19 N O3 -","- C62 H38 N2 O6 -","2","1","","Jin-Wei Sun; Xiang-Shan Wang; Yun Liu","Copper(II)-Catalyzed Sequential C,N-Difunctionalization of 1,4-Naphthoquinone for the Synthesis of Benzo[f]indole-4,9-diones under Base-Free Condition","Journal of Organic Chemistry","2013","78","","10560","10566","10.1021/jo401842d","","","0.71073","MoKα","","0.0504","0.0363","","","0.1111","0.1247","","","","","","0.941","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028689","8.7295","0.0003","9.9483","0.0002","13.9369","0.0004","96.205","0.002","104.131","0.003","100.355","0.002","1139.85","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N O4 S -","- C12 H11 N O4 S -","- C48 H44 N4 O16 S4 -","4","2","","Kimberly Geoghegan; Shaun Smullen; Paul Evans","Halonium Ion Triggered Rearrangement of Unsaturated Benzo-Annulated Bi- and Tricyclic Sulfonamides","Journal of Organic Chemistry","2013","78","","10443","10451","10.1021/jo401888f","","","1.54184","CuKα","","0.0585","0.0557","","","0.1371","0.1388","","","","","","1.092","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028690","11.8097","0.0002","18.801","0.0003","7.3495","0.0001","90","","102.774","0.002","90","","1591.45","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br2 N O4 S -","- C15 H13 Br2 N O4 S -","- C60 H52 Br8 N4 O16 S4 -","4","1","","Kimberly Geoghegan; Shaun Smullen; Paul Evans","Halonium Ion Triggered Rearrangement of Unsaturated Benzo-Annulated Bi- and Tricyclic Sulfonamides","Journal of Organic Chemistry","2013","78","","10443","10451","10.1021/jo401888f","","","0.71073","MoKα","","0.0342","0.0303","","","0.0654","0.0672","","","","","","1.056","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028691","10.519","0.006","14.773","0.007","8.352","0.004","90","","97.208","0.01","90","","1287.6","1.1","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C60 H48 N8 O12 -","4","1","","Chia-Wei Chang; Chi-Cheng Wu; Yung-Yu Chang; Chia-Chi Lin; Tun-Cheng Chien","Synthesis and Unexpected Oxidization of the Tricyclic Core of Ugibohlin, Isophakellin, and Styloguanidine","Journal of Organic Chemistry","2013","78","","10459","10468","10.1021/jo401911a","","","0.71073","MoKα","","0.1482","0.0599","","","0.1352","0.1716","","","","","","0.935","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028692","17.561","0.004","7.9588","0.0016","13.637","0.003","90","","91.7","0.03","90","","1905.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N O4 -","- C22 H18 Cl N O4 -","- C88 H72 Cl4 N4 O16 -","4","1","","Rong Zhou; Jianfang Wang; Jia Yu; Zhengjie He","Highly Chemoselective Rauhut-Currier Reaction between Maleimides and Enones and Dual Phosphine-Mediated One-Pot Synthesis of Bicyclic and Polycyclic Skeletons","Journal of Organic Chemistry","2013","78","","10596","10604","10.1021/jo401363u","","","0.71073","MoKα","","0.099","0.0604","","","0.1419","0.1634","","","","","","1.068","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028693","7.091","0.003","9.47","0.004","23.278","0.009","90","","98.522","0.003","90","","1545.9","1.1","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 N O2 -","- C21 H17 N O2 -","- C84 H68 N4 O8 -","4","1","","Rong Zhou; Jianfang Wang; Jia Yu; Zhengjie He","Highly Chemoselective Rauhut-Currier Reaction between Maleimides and Enones and Dual Phosphine-Mediated One-Pot Synthesis of Bicyclic and Polycyclic Skeletons","Journal of Organic Chemistry","2013","78","","10596","10604","10.1021/jo401363u","","","0.71073","MoKα","","0.047","0.0377","","","0.0947","0.1001","","","","","","1.008","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028694","26.627","0.005","10.341","0.002","19.766","0.004","90","","105.09","0.03","90","","5254.9","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl N O3 S -","- C31 H26 Cl N O3 S -","- C248 H208 Cl8 N8 O24 S8 -","8","2","","Li-Rong Wen; Tao He; Ming-Chao Lan; Ming Li","Three-Component Cascade Annulation of β-Ketothioamides Promoted by CF3CH2OH: A Regioselective Synthesis of Tetrasubstituted Thiophenes","Journal of Organic Chemistry","2013","78","","10617","10628","10.1021/jo401397d","","","0.71073","MoKα","","0.1031","0.0856","","","0.1414","0.1477","","","","","","1.283","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028695","14.0817","0.0014","9.5974","0.001","23.03","0.002","90","","90","","90","","3112.5","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H22 N2 O2 -","- C17 H22 N2 O2 -","- C136 H176 N16 O16 -","8","1","","Kiran Indukuri; R. Unnava; Manash J. Deka; Anil K. Saikia","Stereoselective Synthesis of Amido and Phenyl Azabicyclic Derivatives via a Tandem Aza Prins-Ritter/Friedel-Crafts Type Reaction of Endocyclic N-Acyliminium Ions","Journal of Organic Chemistry","2013","78","","10629","10641","10.1021/jo401450j","","","0.71073","MoKα","","0.0558","0.043","","","0.1363","0.1489","","","","","","1.137","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028696","10.493","0.002","19.484","0.004","11.334","0.002","90","","122.064","0.014","90","","1963.7","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O2 -","- C25 H23 N O2 -","- C100 H92 N4 O8 -","4","1","","Kiran Indukuri; R. Unnava; Manash J. Deka; Anil K. Saikia","Stereoselective Synthesis of Amido and Phenyl Azabicyclic Derivatives via a Tandem Aza Prins-Ritter/Friedel-Crafts Type Reaction of Endocyclic N-Acyliminium Ions","Journal of Organic Chemistry","2013","78","","10629","10641","10.1021/jo401450j","","","0.71073","MoKα","","0.0683","0.0425","","","0.0605","0.0632","","","","","","1.695","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028697","8.5555","0.0003","10.1638","0.0004","19.309","0.0008","90","","90","","90","","1679.04","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 F3 O2 S -","- C18 H15 F3 O2 S -","- C72 H60 F12 O8 S4 -","4","1","","Yu Su; Jun-Bing Ling; Shuang Zhang; Peng-Fei Xu","Organocatalytic Cascade Sulfa-Michael/Aldol Reaction of β,β-Disubstituted Enones: Enantioselective Synthesis of Tetrahydrothiophenes with a Trifluoromethylated Quaternary Center","Journal of Organic Chemistry","2013","78","","11053","11058","10.1021/jo4016024","","","0.7107","MoKα","","0.079","0.0504","","","0.1357","0.1707","","","","","","0.931","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028698","12.2436","0.0004","14.2193","0.0004","14.3945","0.0004","86.147","0.002","66.914","0.003","69.377","0.003","2150.27","0.13","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H50 N4 O3 -","- C54 H50 N4 O3 -","- C108 H100 N8 O6 -","2","1","","Zhanqian Yu; Marcin Ptaszek","Near-IR Emissive Chlorin-Bacteriochlorin Energy-Transfer Dyads with a Common Donor and Acceptors with Tunable Emission Wavelength","Journal of Organic Chemistry","2013","78","","10678","10691","10.1021/jo4016858","","","0.71073","MoKα","","0.0563","0.0422","","","0.1156","0.1226","","","","","","1.052","","","","has coordinates,has disorder","178465","2020-10-21","18:00:00",""
"4028699","21.212","","13.035","","8.79","","90","","105.71","","90","","2339.63","","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H29 N O4 -","- C27 H29 N O4 -","- C108 H116 N4 O16 -","4","1","","Antonio Salomone; Filippo Maria Perna; Francesca Claudia Sassone; Aurelia Falcicchio; Jure Bezenšek; Jurij Svete; Branko Stanovnik; Saverio Florio; Vito Capriati","Preparation of Polysubstituted Isochromanes by Addition of ortho-Lithiated Aryloxiranes to Enaminones","Journal of Organic Chemistry","2013","78","","11059","11065","10.1021/jo401689e","","","0.71073","MoKα","","0.1773","0.0768","","","0.1435","0.1827","","","","","","0.99","","","","has coordinates","178465","2020-10-21","18:00:00",""
"4028700","10.7365","0.0016","12.0629","0.0018","15.643","0.002","71.062","0.002","84.577","0.002","67.378","0.002","1767.8","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H56 N4 O2 -","- C37 H56 N4 O2 -","- C74 H112 N8 O4 -","2","1","","Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han","Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines","Journal of Organic Chemistry","2013","78","","10692","10704","10.1021/jo4016908","","","0.71073","MoKα","","0.0668","0.0472","","","0.1447","0.1737","","","","","","1.169","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028701","10.7783","0.0006","31.1615","0.0016","11.9415","0.0007","90","","113.234","0.007","90","","3685.5","0.4","121.16","0.1","121.16","0.1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C39 H59 N4 O2 -","- C39 H59 N4 O2 -","- C156 H236 N16 O8 -","4","1","","Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han","Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines","Journal of Organic Chemistry","2013","78","","10692","10704","10.1021/jo4016908","","","0.7107","MoKα","","0.1414","0.0747","","","0.1524","0.1875","","","","","","1.033","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028702","8.1683","0.0002","29.6471","0.0007","15.348","0.0004","90","","102.95","0.002","90","","3622.24","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H59 N2 O2 -","- C39 H58 N4 O2 -","- C156 H232 N16 O8 -","4","1","","Xiao-Yong Duan; Xiu-Long Yang; Ran Fang; Xie-Xue Peng; Wei Yu; Bing Han","Hydrazone Radical Promoted Vicinal Difunctionalization of Alkenes and Trifunctionalization of Allyls: Synthesis of Pyrazolines and Tetrahydropyridazines","Journal of Organic Chemistry","2013","78","","10692","10704","10.1021/jo4016908","","","1.54184","CuKα","","0.0644","0.0566","","","0.1606","0.1691","","","","","","1.07","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028703","11.281","0.002","8.8295","0.0018","17.148","0.003","90","","95.77","0.03","90","","1699.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2-bis[(4-benzyl)imidazo-pyridinium]ethane triflate","2,2'-(ethane-1,2-diyl)bis(4-benzyl-3H-imidazo[4,5-c]pyridin-4-ium) triflate","","- C30 H30 F6 N6 O8 S2 -","- C30 H30 F6 N6 O8 S2 -","- C60 H60 F12 N12 O16 S4 -","2","0.5","","Surisadai I. Moreno-Olivares; Ruy Cervantes; Jorge Tiburcio","Complexation of Imidazopyridine-Based Cations with a 24-Crown-8 Ether Host: [2]Pseudorotaxane and Partially Threaded Structures","Journal of Organic Chemistry","2013","78","","10724","10731","10.1021/jo401701m","","","0.71073","MoKα","","0.203","0.1207","","","0.2045","0.2448","","","","","","1.194","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028704","12.368","0.003","10.385","0.002","25.353","0.005","90","","90.87","0.03","90","","3256","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[2]pseudorotaxane: 1,2-bis[(4-benzyl)imidazo-pyridinium]ethane DB24C8 triflate","[2]pseudorotaxane","","- C56 H60 F12 N6 O20 S4 -","- C56 H60 F12 N6 O20 S4 -","- C112 H120 F24 N12 O40 S8 -","2","0.5","","Surisadai I. Moreno-Olivares; Ruy Cervantes; Jorge Tiburcio","Complexation of Imidazopyridine-Based Cations with a 24-Crown-8 Ether Host: [2]Pseudorotaxane and Partially Threaded Structures","Journal of Organic Chemistry","2013","78","","10724","10731","10.1021/jo401701m","","","0.71073","MoKα","","0.1949","0.0939","","","0.2417","0.2958","","","","","","1.058","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028705","9.925","0.0012","12.232","0.0012","25.401","0.0012","90","","97.864","0.001","90","","3054.7","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,2-bis[(3-benzyl)imidazo-pyridinium]ethane bromide","2,2'-(ethane-1,2-diyl)bis(4-benzyl-3H-imidazo[4,5-b]pyridin-4-ium) bromide","","- C29 H27 Br2 Cl3 N6 -","- C29 H27 Br2 Cl3 N6 -","- C116 H108 Br8 Cl12 N24 -","4","1","","Surisadai I. Moreno-Olivares; Ruy Cervantes; Jorge Tiburcio","Complexation of Imidazopyridine-Based Cations with a 24-Crown-8 Ether Host: [2]Pseudorotaxane and Partially Threaded Structures","Journal of Organic Chemistry","2013","78","","10724","10731","10.1021/jo401701m","","","0.71073","MoKα","","0.1652","0.0746","","","0.1652","0.2026","","","","","","1.031","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028706","13.3203","0.0003","13.3203","0.0003","18.4658","0.0003","90","","90","","90","","3276.39","0.12","173","2","173","2","","","","","","","","3","P 43","P 4cw","78","","","","- C34 H36 O10 -","- C34 H36 O10 -","- C136 H144 O40 -","4","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.08","0.0606","","","0.1585","0.1727","","","","","","1.021","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028707","13.1405","0.0005","9.1003","0.0003","14.1366","0.0004","90","","97.09","0.003","90","","1677.56","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 Br O7 -","- C14 H21 Br O7 -","- C56 H84 Br4 O28 -","4","2","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0617","0.0397","","","0.0757","0.0788","","","","","","0.869","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028708","10.7518","0.0003","17.896","0.0006","16.0933","0.0004","90","","90.165","0.002","90","","3096.57","0.16","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H30 O9 -","- C20 H30 O9 -","- C120 H180 O54 -","6","3","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0436","0.0289","","","0.0532","0.0554","","","","","","0.878","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028709","6.0447","0.0003","6.9522","0.0004","7.2801","0.0005","72.905","0.004","71.641","0.003","69.728","0.004","266.45","0.03","200","2","200","2","","","","","","","","3","P 1","P 1","1","","","","- C10 H16 O5 -","- C10 H16 O5 -","- C10 H16 O5 -","1","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0411","0.0387","","","0.1038","0.1066","","","","","","1.059","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028710","8.4976","0.0005","5.2988","0.0003","11.0339","0.0007","90","","93.476","0.005","90","","495.91","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C20 H28 O8 -","2","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0464","0.033","","","0.0595","0.062","","","","","","0.957","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028711","14.6591","0.0006","5.2307","0.0002","18.5204","0.0008","90","","105.576","0.002","90","","1367.94","0.1","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H38 O8 -","- C29 H38 O8 -","- C58 H76 O16 -","2","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0766","0.0484","","","0.0945","0.1048","","","","","","1.055","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028712","7.1089","0.0003","7.2805","0.0003","20.2476","0.0008","90","","90","","90","","1047.94","0.07","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C40 H56 O20 -","4","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0521","0.0339","","","0.0686","0.0717","","","","","","0.878","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028713","8.785","0.0003","10.6361","0.0004","38.731","0.0019","90","","90","","90","","3619","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H56 O5 Si2 -","- C35 H56 O5 Si2 -","- C140 H224 O20 Si8 -","4","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0866","0.0509","","","0.0933","0.1001","","","","","","0.928","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028714","10.6997","0.0006","9.6647","0.0007","10.9106","0.0006","90","","91.772","0.005","90","","1127.72","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H28 O5 -","- C27 H28 O5 -","- C54 H56 O10 -","2","1","","Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner","Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues","Journal of Organic Chemistry","2013","78","","10784","10801","10.1021/jo401706r","","","0.71073","MoKα","","0.0864","0.04","","","0.0639","0.07","","","","","","0.782","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028715","6.56651","0.00013","11.1912","0.0003","22.4202","0.0005","90","","90","","90","","1647.6","0.07","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 N2 O2 S -","- C17 H20 N2 O2 S -","- C68 H80 N8 O8 S4 -","4","1","","Yuka Amako; Hiroto Hori; Shigeru Arai; Atsushi Nishida","Regioselective Hydronickelation of Allenes and Its Application to the Hydrocyanative Carbocyclization Reaction of Allene-Ynes and Bis-Allenes","Journal of Organic Chemistry","2013","78","","10763","10775","10.1021/jo401758v","","","1.54187","CuKα","","0.0591","0.0536","","","0.1317","0.1365","","","","","","1.11","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028716","11.9965","0.0008","11.3182","0.0008","11.3721","0.0008","90","","97.065","0.001","90","","1532.37","0.18","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Yuka Amako; Hiroto Hori; Shigeru Arai; Atsushi Nishida","Regioselective Hydronickelation of Allenes and Its Application to the Hydrocyanative Carbocyclization Reaction of Allene-Ynes and Bis-Allenes","Journal of Organic Chemistry","2013","78","","10763","10775","10.1021/jo401758v","","","0.71073","MoKα","","0.0451","0.0349","","","0.1102","0.1249","","","","","","0.867","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028717","11.0701","0.0017","10.7138","0.0016","15.567","0.002","90","","91.745","0.002","90","","1845.4","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 N2 O4 S -","- C19 H24 N2 O2 S -","- C76 H96 N8 O8 S4 -","4","1","","Yuka Amako; Hiroto Hori; Shigeru Arai; Atsushi Nishida","Regioselective Hydronickelation of Allenes and Its Application to the Hydrocyanative Carbocyclization Reaction of Allene-Ynes and Bis-Allenes","Journal of Organic Chemistry","2013","78","","10763","10775","10.1021/jo401758v","","","0.71073","MoKα","","0.0626","0.0578","","","0.2085","0.2187","","","","","","1.783","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028718","14.0247","0.0006","7.4097","0.0003","14.5049","0.0007","90","","94.837","0.003","90","","1501.96","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3aa","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Zeng Li; Jing Li; Nan Yang; Ying Chen; Yu Zhou; Xun Ji; Lei Zhang; Jinfang Wang; Xin Xie; Hong Liu","Gold(I)-Catalyzed Cascade Approach for the Synthesis of Tryptamine-Based Polycyclic Privileged Scaffolds as α1-Adrenergic Receptor Antagonists","Journal of Organic Chemistry","2013","78","","10802","10811","10.1021/jo4017887","","","0.71073","MoKα","","0.1016","0.0515","","","0.1164","0.1363","","","","","","1.049","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028719","11.3759","0.0003","13.0992","0.0004","11.4895","0.0003","90","","92.179","0.001","90","","1710.87","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3be","","","- C21 H20 N2 O2 -","- C21 H20 N2 O2 -","- C84 H80 N8 O8 -","4","1","","Zeng Li; Jing Li; Nan Yang; Ying Chen; Yu Zhou; Xun Ji; Lei Zhang; Jinfang Wang; Xin Xie; Hong Liu","Gold(I)-Catalyzed Cascade Approach for the Synthesis of Tryptamine-Based Polycyclic Privileged Scaffolds as α1-Adrenergic Receptor Antagonists","Journal of Organic Chemistry","2013","78","","10802","10811","10.1021/jo4017887","","","0.71073","MoKα","","0.0472","0.0379","","","0.0885","0.0942","","","","","","0.992","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028720","6.999","0.005","11.729","0.009","21.182","0.016","90","","96.41","0.03","90","","1728","2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Zeng Li; Jing Li; Nan Yang; Ying Chen; Yu Zhou; Xun Ji; Lei Zhang; Jinfang Wang; Xin Xie; Hong Liu","Gold(I)-Catalyzed Cascade Approach for the Synthesis of Tryptamine-Based Polycyclic Privileged Scaffolds as α1-Adrenergic Receptor Antagonists","Journal of Organic Chemistry","2013","78","","10802","10811","10.1021/jo4017887","","","0.71073","MoKα","","0.1613","0.0602","","","0.1082","0.1372","","","","","","0.986","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028721","9.873","0.004","14.973","0.006","38.333","0.014","90","","91.692","0.012","90","","5664","4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 F12 N4 Si2 -","- C62 H56 F12 N4 Si2 -","- C248 H224 F48 N16 Si8 -","4","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1702","0.0726","","","0.1755","0.228","","","","","","1.01","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028722","8.6544","0.0009","12.7016","0.0013","21.437","0.002","100.096","0.002","96.605","0.002","103.513","0.002","2225.6","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H49 F9 N2 Si2 -","- C48 H49 F9 N2 Si2 -","- C96 H98 F18 N4 Si4 -","2","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1012","0.0551","","","0.1204","0.1485","","","","","","1.032","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028723","7.5628","0.0005","7.661","0.0006","17.1065","0.0013","89.004","0.002","78.407","0.002","85.986","0.002","968.52","0.12","220","2","220","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H48 F4 N4 Si2 -","- C40 H48 F4 N4 Si2 -","- C40 H48 F4 N4 Si2 -","1","1","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1189","0.0823","","","0.1867","0.2147","","","","","","0.972","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028724","7.6461","0.0017","7.6728","0.0017","16.941","0.004","89.462","0.005","78.563","0.005","84.127","0.005","969","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 F4 N4 Si2 -","- C40 H46 F4 N4 Si2 -","- C40 H46 F4 N4 Si2 -","1","0.5","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1104","0.0649","","","0.1439","0.1618","","","","","","1.059","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028725","7.7917","0.0009","16.4403","0.0019","17.186","0.002","76.699","0.008","89.404","0.009","84.78","0.008","2133.4","0.4","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H48 F6 N4 Si2 -","- C44 H48 F6 N4 Si2 -","- C88 H96 F12 N8 Si4 -","2","2","","Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz","Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution","Journal of Organic Chemistry","2013","78","","10832","10839","10.1021/jo401824g","","","0.71073","MoKα","","0.1823","0.0896","","","0.2038","0.2589","","","","","","1.017","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028726","11.8699","0.0012","27.928","0.003","7.6424","0.0007","90","","90.309","0.002","90","","2533.4","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C104 H144 O48 -","8","2","","G. Hari Mangeswara Rao; Faiz Ahmed Khan","An Unusual Fragmentation of Oxetane-Embedded Tetracyclic Ketal Systems","Journal of Organic Chemistry","2013","78","","11092","11095","10.1021/jo401870s","","","0.71073","MoKα","","0.1359","0.0826","","","0.1329","0.1679","","","","","","1.044","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028727","7.5473","0.0013","8.2391","0.0014","12.532","0.002","80.767","0.003","80.035","0.003","84.869","0.003","756.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 Cl O6 -","- C14 H21 Cl O6 -","- C28 H42 Cl2 O12 -","2","1","","G. Hari Mangeswara Rao; Faiz Ahmed Khan","An Unusual Fragmentation of Oxetane-Embedded Tetracyclic Ketal Systems","Journal of Organic Chemistry","2013","78","","11092","11095","10.1021/jo401870s","","","0.71073","MoKα","","0.0801","0.0575","","","0.1315","0.1899","","","","","","1.193","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028728","5.9205","0.0006","11.3365","0.0013","29.609","0.003","90","","90","","90","","1987.3","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Zenghui Lu; Fang Luo; Lina Wang; Gangguo Zhu","Palladium-Catalyzed Direct Alkenylation of 2-Oxazolones: An Entry to 3,4,5-Trisubstituted 2-Oxazolones","Journal of Organic Chemistry","2013","78","","10894","10901","10.1021/jo4018793","","","0.71073","MoKα","","0.1069","0.0464","","","0.1006","0.1241","","","","","","0.926","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028729","9.4027","0.0006","10.4191","0.0006","10.7784","0.0006","76.963","0.004","80.402","0.004","68.227","0.004","951.3","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O4 -","- C23 H21 N O4 -","- C46 H42 N2 O8 -","2","1","","Zenghui Lu; Fang Luo; Lina Wang; Gangguo Zhu","Palladium-Catalyzed Direct Alkenylation of 2-Oxazolones: An Entry to 3,4,5-Trisubstituted 2-Oxazolones","Journal of Organic Chemistry","2013","78","","10894","10901","10.1021/jo4018793","","","0.71073","MoKα","","0.0781","0.0444","","","0.1077","0.1264","","","","","","1.029","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028730","9.5467","0.0002","14.4083","0.0004","13.2429","0.0004","90","","92.938","0.003","90","","1819.19","0.08","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O -","- C26 H21 N O -","- C104 H84 N4 O4 -","4","1","","Frank D. King; Abil E. Aliev; Stephen Caddick; Derek A. Tocher","The Triflic Acid-Mediated Cyclization Reactions of N-Cinnamoyl-1-Naphthylamines","Journal of Organic Chemistry","2013","78","","10938","10946","10.1021/jo4018827","","","1.5418","CuKα","","0.0483","0.04","","","0.0957","0.1023","","","","","","1.021","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028731","13.01","0.017","18.68","0.02","7.224","0.009","90","","90","","90","","1756","4","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C38 H62 O4 -","- C38 H62 O4 -","- C76 H124 O8 -","2","0.5","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","0.71073","MoKα","","0.0713","0.0455","","","0.094","0.1057","","","","","","1.02","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028732","9.259","0.004","6.367","0.002","18.158","0.012","90","","97.41","0.04","90","","1061.5","0.9","282","4","282","4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N O2 -","- C10 H18 N O2 -","- C40 H72 N4 O8 -","4","1","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","0.71073","MoKα","","0.0763","0.0586","","","0.1498","0.1677","","","","","","1.066","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028733","6.761","0.009","9.463","0.013","10.518","0.014","90","","105.293","0.016","90","","649.1","1.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C28 H44 O8 -","2","1","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","0.71073","MoKα","","0.1581","0.0536","","","0.0874","0.1083","","","","","","0.982","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028734","14.8934","0.0008","11.7913","0.0006","19.2041","0.0018","90","","90","","90","","3372.5","0.4","301.19","0.1","301.19","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N2 O4 -","- C18 H23 N2 O4 -","- C144 H184 N16 O32 -","8","1","","Yu Peng; Long Luo; Chang-Song Yan; Jian-Jian Zhang; Ya-Wen Wang","Ni-Catalyzed Reductive Homocoupling of Unactivated Alkyl Bromides at Room Temperature and Its Synthetic Application","Journal of Organic Chemistry","2013","78","","10960","10967","10.1021/jo401936v","","","1.5418","CuKα","","0.0499","0.0379","","","0.0988","0.1085","","","","","","1.023","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028735","10.9237","0.0005","13.289","0.0006","13.9727","0.0005","63.682","0.002","81.338","0.002","81.12","0.002","1788.56","0.14","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H42 N2 O12 -","- C37 H42 N2 O12 -","- C74 H84 N4 O24 -","2","2","","Carlos Aydillo; Claudio D. Navo; Jesús H. Busto; Francisco Corzana; María M. Zurbano; Alberto Avenoza; Jesús M. Peregrina","A Double Diastereoselective Michael-Type Addition as an Entry to Conformationally Restricted Tn Antigen Mimics","Journal of Organic Chemistry","2013","78","","10968","10977","10.1021/jo4019396","","","0.71073","MoKα","","0.0988","0.0565","","","0.1411","0.1705","","","","","","1.004","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028736","6.1502","0.0004","8.0705","0.0005","17.2765","0.0011","90","","94.719","0.004","90","","854.62","0.09","296","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","3-benzyl-2-(phenylethynyl)benzofuran","3-benzyl-2-(phenylethynyl)benzofuran","","- C23 H15 O -","- C23 H15 O -","- C46 H30 O2 -","2","1","","Tamiris B. Grimaldi; Davi F. Back; Gilson Zeni","Potassiumtert-Butoxide Promoted Annulation of 2-Alkynylphenyl Propargyl Ethers: Selective Synthesis of Benzofuran and 12H-Benzoannulene Derivatives","Journal of Organic Chemistry","2013","78","","11017","11031","10.1021/jo4020062","","","0.71073","MoKα","","0.0773","0.0461","","","0.1127","0.1407","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028737","20.9774","0.001","8.871","0.0004","17.3971","0.0009","90","","91.719","0.003","90","","3236","0.3","296","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","12H-benzo-7-phenyl[7]annulen-6-benzo[b]furan","12H-benzo-7-phenyl[7]annulen-6-benzo[b]furan","","- C23 H16 O -","- C23 H16 O -","- C184 H128 O8 -","8","2","","Tamiris B. Grimaldi; Davi F. Back; Gilson Zeni","Potassiumtert-Butoxide Promoted Annulation of 2-Alkynylphenyl Propargyl Ethers: Selective Synthesis of Benzofuran and 12H-Benzoannulene Derivatives","Journal of Organic Chemistry","2013","78","","11017","11031","10.1021/jo4020062","","","0.71073","MoKα","","0.1505","0.0499","","","0.1004","0.1317","","","","","","0.961","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028738","12.1176","0.0004","12.1176","0.0004","12.1176","0.0004","90","","90","","90","","1779.3","0.1","100","2","100","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C6 H15 Br Cu N -","- C6 H15 Br Cu N -","- C48 H120 Br8 Cu8 N8 -","8","0.166667","","Anton Lishchynskyi; Maxim A. Novikov; Eddy Martin; Eduardo C. Escudero-Adán; Petr Novák; Vladimir V. Grushin","Trifluoromethylation of Aryl and Heteroaryl Halides with Fluoroform-Derived CuCF3: Scope, Limitations, and Mechanistic Features","Journal of Organic Chemistry","2013","78","","11126","11146","10.1021/jo401423h","","","0.71073","MoKα","","0.0138","0.0135","","","0.0348","0.0349","","","","","","1.122","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028739","9.9504","0.0006","19.6941","0.0011","10.6513","0.0006","90","","111.044","0.002","90","","1948.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cu2 F12 N6 O10 -","- C34 H26 Cu2 F12 N6 O10 -","- C68 H52 Cu4 F24 N12 O20 -","2","0.5","","Anton Lishchynskyi; Maxim A. Novikov; Eddy Martin; Eduardo C. Escudero-Adán; Petr Novák; Vladimir V. Grushin","Trifluoromethylation of Aryl and Heteroaryl Halides with Fluoroform-Derived CuCF3: Scope, Limitations, and Mechanistic Features","Journal of Organic Chemistry","2013","78","","11126","11146","10.1021/jo401423h","","","0.71073","MoKα","","0.042","0.0322","","","0.1005","0.1106","","","","","","0.817","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028740","8.0701","0.0006","10.4214","0.0008","12.9523","0.0009","71.799","0.002","75.062","0.002","80.007","0.002","994.69","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cu2 F12 N2 O10 -","- C38 H30 Cu2 F12 N2 O10 -","- C38 H30 Cu2 F12 N2 O10 -","1","0.5","","Anton Lishchynskyi; Maxim A. Novikov; Eddy Martin; Eduardo C. Escudero-Adán; Petr Novák; Vladimir V. Grushin","Trifluoromethylation of Aryl and Heteroaryl Halides with Fluoroform-Derived CuCF3: Scope, Limitations, and Mechanistic Features","Journal of Organic Chemistry","2013","78","","11126","11146","10.1021/jo401423h","","","0.71073","MoKα","","0.0455","0.0337","","","0.068","0.0725","","","","","","1.027","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028741","15.67","0.003","10.967","0.003","21.785","0.006","90","","107.289","0.008","90","","3574.7","1.6","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C42 H38 N4 Ni O3 -","- C42 H38 N4 Ni O3 -","- C168 H152 N16 Ni4 O12 -","4","1","","Shengbin Zhou; Jiang Wang; Daizong Lin; Fei Zhao; Hong Liu","Enantioselective Synthesis of 2-Substitued-Tetrahydroisoquinolin-1-yl Glycine Derivatives via Oxidative Cross-Dehydrogenative Coupling of Tertiary Amines and Chiral Nickel(II) Glycinate","Journal of Organic Chemistry","2013","78","","11204","11212","10.1021/jo401510b","","","0.71073","MoKα","","0.1402","0.0738","","","0.1478","0.1694","","","","","","0.911","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028742","20.601","0.003","8.4696","0.0013","31.301","0.005","90","","91.992","0.004","90","","5458.2","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H37 Br N4 Ni O3 -","- C42 H37 Br N4 Ni O3 -","- C252 H222 Br6 N24 Ni6 O18 -","6","3","","Shengbin Zhou; Jiang Wang; Daizong Lin; Fei Zhao; Hong Liu","Enantioselective Synthesis of 2-Substitued-Tetrahydroisoquinolin-1-yl Glycine Derivatives via Oxidative Cross-Dehydrogenative Coupling of Tertiary Amines and Chiral Nickel(II) Glycinate","Journal of Organic Chemistry","2013","78","","11204","11212","10.1021/jo401510b","","","0.71073","MoKα","","0.1891","0.0749","","","0.1367","0.1854","","","","","","0.984","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028743","11.2067","0.0014","7.1568","0.0009","22.836","0.003","90","","94.02","0.002","90","","1827","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H22 Br N O3 S -","- C15 H22 Br N O3 S -","- C60 H88 Br4 N4 O12 S4 -","4","2","","Wei Huang; Jian-Liang Ye; Wei Zheng; Han-Qing Dong; Bang-Guo Wei","Radical Migration-Addition of N-tert-Butanesulfinyl Imines with Organozinc Reagents","Journal of Organic Chemistry","2013","78","","11229","11237","10.1021/jo401640c","","","0.71073","MoKα","","0.1109","0.0637","","","0.1373","0.1504","","","","","","0.827","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028744","20.9064","0.0009","9.3117","0.0004","17.345","0.0007","90","","105.018","0.002","90","","3261.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 N3 O3 -","- C41 H35 N3 O3 -","- C164 H140 N12 O12 -","4","1","","Jun-An Xiao; Hong-Gang Zhang; Shan Liang; Ji-Wei Ren; Hua Yang; Xiao-Qing Chen","Synthesis of Pyrrolo(spiro-[2.3']-oxindole)-spiro-[4.3""]-oxindole via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 3-Acetonylideneoxindole","Journal of Organic Chemistry","2013","78","","11577","11583","10.1021/jo4017259","","","0.71073","MoKα","","0.113","0.0584","","","0.1463","0.1781","","","","","","1.032","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028745","12.7517","0.0005","9.5503","0.0003","28.7063","0.0011","90","","113.504","0.002","90","","3205.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 N3 O3 -","- C41 H35 N3 O3 -","- C164 H140 N12 O12 -","4","1","","Jun-An Xiao; Hong-Gang Zhang; Shan Liang; Ji-Wei Ren; Hua Yang; Xiao-Qing Chen","Synthesis of Pyrrolo(spiro-[2.3']-oxindole)-spiro-[4.3""]-oxindole via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 3-Acetonylideneoxindole","Journal of Organic Chemistry","2013","78","","11577","11583","10.1021/jo4017259","","","0.71073","MoKα","","0.1351","0.061","","","0.1537","0.2089","","","","","","1.002","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028746","9.2909","0.0002","19.3115","0.0005","17.429","0.0005","90","","112.188","0.002","90","","2895.57","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 N3 O3 -","- C37 H33 N3 O3 -","- C148 H132 N12 O12 -","4","1","","Jun-An Xiao; Hong-Gang Zhang; Shan Liang; Ji-Wei Ren; Hua Yang; Xiao-Qing Chen","Synthesis of Pyrrolo(spiro-[2.3']-oxindole)-spiro-[4.3""]-oxindole via 1,3-Dipolar Cycloaddition of Azomethine Ylides with 3-Acetonylideneoxindole","Journal of Organic Chemistry","2013","78","","11577","11583","10.1021/jo4017259","","","0.71073","MoKα","","0.1115","0.0564","","","0.1098","0.129","","","","","","0.995","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028747","10.457","0.0002","11.4169","0.0002","12.6533","0.0002","90","","90","","90","","1510.63","0.05","160","1","160","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Silvia V. Rocha; Nathaniel S. Finney","Systematic Evaluation of 2,6-Linked Pyridine-Thiophene Oligomers","Journal of Organic Chemistry","2013","78","","11255","11261","10.1021/jo401735g","","","0.71073","MoKα","","0.0511","0.0397","","","0.0896","0.0959","","","","","","1.046","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028748","8.2039","0.0012","8.2039","0.0012","21.191","0.004","90","","90","","90","","1426.2","0.4","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C10 H18 Cl N2 O4 P -","- C10 H18 Cl N2 O4 P -","- C40 H72 Cl4 N8 O16 P4 -","4","0.5","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","0.71073","MoKα","","0.0501","0.0425","","","0.0868","0.0908","","","","","","1.096","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028749","8.7196","0.0003","12.0985","0.0005","18.3711","0.0006","99.33","0.003","95.904","0.003","90.344","0.003","1901.75","0.12","291","2","291.15","","","","","","","","","6","P 1","P 1","1","","","","- C18 H18 Cl N2 O4 P -","- C18 H18 Cl N2 O4 P -","- C72 H72 Cl4 N8 O16 P4 -","4","4","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.0664","0.0474","","","0.1334","0.1625","","","","","","1.021","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028750","10.02685","0.00016","10.35683","0.00016","23.9983","0.0005","90","","97.9548","0.0018","90","","2468.16","0.08","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H36 N3 O6 P -","- C19 H36 N3 O6 P -","- C76 H144 N12 O24 P4 -","4","2","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.0585","0.0529","","","0.1452","0.152","","","","","","1.033","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028751","20.014","0.004","6.1055","0.0012","20.653","0.004","90","","101.36","0.03","90","","2474.3","0.9","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H32 N3 O6 P -","- C21 H32 N3 O6 P -","- C84 H128 N12 O24 P4 -","4","1","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","0.71073","MoKα","","0.1079","0.0821","","","0.1732","0.1898","","","","","","1.133","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028752","16.1499","0.0003","6.10696","0.00015","25.013","0.0007","90","","98.553","0.002","90","","2439.52","0.1","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N3 O6 P -","- C23 H28 N3 O6 P -","- C92 H112 N12 O24 P4 -","4","2","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.0503","0.0429","","","0.107","0.112","","","","","","1.061","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028753","11.3068","0.0003","8.2583","0.0003","13.1949","0.0004","90","","101.098","0.003","90","","1209.03","0.07","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H28 N3 O6 P -","- C23 H28 N3 O6 P -","- C46 H56 N6 O12 P2 -","2","1","","Shuxia Cao; Peng Gao; Yanchun Guo; Huamin Zhao; Jun Wang; Yifan Liu; Yufen Zhao","Unexpected Insertion of CO2 into the Pentacoordinate P-N Bond: Atherton-Todd-Type Reaction of Hydrospirophosphorane with Amines","Journal of Organic Chemistry","2013","78","","11283","11293","10.1021/jo4018342","","","1.5418","CuKα","","0.037","0.0349","","","0.0915","0.0945","","","","","","1.052","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028754","15.3492","0.0003","15.621","0.0004","17.0234","0.0002","89.136","0.002","80.277","0.002","86.364","0.002","4014.93","0.14","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C95.5 H110 N4 O9 -","- C95.493 H108.064 N4 O9 -","- C190.986 H216.128 N8 O18 -","2","1","","Marcin Grajda; Michał Wierzbicki; Piotr Cmoch; Agnieszka Szumna","Inherently Chiral Iminoresorcinarenes through Regioselective Unidirectional Tautomerization","Journal of Organic Chemistry","2013","78","","11597","11601","10.1021/jo4019182","","","1.5418","CuKα","","0.0882","0.084","","","0.2447","0.2527","","","","","","1.01","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028755","10.6821","0.0003","11.5613","0.0003","12.1911","0.0003","81.645","0.0011","83.7998","0.0012","79.6147","0.0011","1460.02","0.07","100","1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H72 F12 N4 O4 Sb2 -","- C58 H72 F12 N4 O4 Sb2 -","- C58 H72 F12 N4 O4 Sb2 -","1","0.5","","Almaz S. Jalilov; Lu Han; Stephen F. Nelsen; Ilia A. Guzei","Oxidation Products of Doubly Trimethylene-Bridged Tetrabenzyl p-Phenylenediamine Paracyclophane","Journal of Organic Chemistry","2013","78","","11373","11381","10.1021/jo401921f","","","0.71073","MoKα","","0.0174","0.0164","","","0.0411","0.0417","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028756","12.1617","0.0003","15.3473","0.0004","24.094","0.0005","83.6615","0.0014","82.0615","0.0014","79.8284","0.0014","4366.93","0.18","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C74 H124 B22 Cl8 N4 -","- C74 H124 B22 Cl8 N4 -","- C148 H248 B44 Cl16 N8 -","2","1","","Almaz S. Jalilov; Lu Han; Stephen F. Nelsen; Ilia A. Guzei","Oxidation Products of Doubly Trimethylene-Bridged Tetrabenzyl p-Phenylenediamine Paracyclophane","Journal of Organic Chemistry","2013","78","","11373","11381","10.1021/jo401921f","","","0.71073","MoKα","","0.1157","0.0595","","","0.1305","0.1549","","","","","","0.989","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4028757","7.0511","0.0002","9.8605","0.0002","24.4965","0.0006","90","","90","","90","","1703.18","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2S,3aS,6S,6aR)-methyl 6-(hydroxymethyl)-4-oxo-1-tosylhexahydro -1H-furo[3,4-b]pyrrole-2-carboxylate","","- C16 H19 N O7 S -","- C16 H19 N O7 S -","- C64 H76 N4 O28 S4 -","4","1","","José A. Gálvez; María D. Díaz-de-Villegas; Miriam Alías; Ramón Badorrey","Chiral Iminoesters Derived fromd-Glyceraldehyde in [3 + 2] Cycloaddition Reactions. Asymmetric Synthesis of a Key Intermediate in the Synthesis of Neuramidinase Inhibitors","Journal of Organic Chemistry","2013","78","","11404","11413","10.1021/jo401967a","","","0.71073","MoKα","","0.0541","0.0412","","","0.09","0.0969","","","","","","1.031","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028758","8.27","0.0012","9.0465","0.0019","16.281","0.003","83.342","0.017","77.216","0.014","87.954","0.015","1179.8","0.4","293","2","293","2","","","","","","","","5","P 1","P 1","1","","(2R,4R,5S)-4-ethyl 2-methyl 5-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl] -1-tosylpyrrolidine-2,4-dicarboxylate","","- C21 H29 N O8 S -","- C21 H29 N O8 S -","- C42 H58 N2 O16 S2 -","2","2","","José A. Gálvez; María D. Díaz-de-Villegas; Miriam Alías; Ramón Badorrey","Chiral Iminoesters Derived fromd-Glyceraldehyde in [3 + 2] Cycloaddition Reactions. Asymmetric Synthesis of a Key Intermediate in the Synthesis of Neuramidinase Inhibitors","Journal of Organic Chemistry","2013","78","","11404","11413","10.1021/jo401967a","","","0.71073","MoKα","","0.2437","0.0978","","","0.232","0.3064","","","","","","0.939","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028759","11.4634","0.0016","13.4376","0.0019","13.962","0.002","112.753","0.002","99.306","0.002","101.604","0.002","1873.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H34 Cl2 N4 O5 -","- C43 H34 Cl2 N4 O5 -","- C86 H68 Cl4 N8 O10 -","2","1","","Tuan-Jie Li; Zhong-Qiu Liu; Hong-Mei Yin; Chang-Sheng Yao; Bo Jiang; Xiang-Shan Wang; Shu-Jiang Tu; Xiu-Ling Li; Guigen Li","Metal-Free [3 + 2 + 1]/[2 + 2 + 1] Biscyclization: Stereospecific Construction with Concomitant Functionalization of Indolizin-5(1H)-one","Journal of Organic Chemistry","2013","78","","11414","11420","10.1021/jo401969g","","","0.71073","MoKα","","0.0912","0.0752","","","0.2333","0.2546","","","","","","1.076","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028760","12.6924","0.0008","14.0725","0.0009","17.2084","0.0011","73.164","0.004","89.207","0.004","71.084","0.004","2772.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H27 N5 O3 S -","- C16 H27 N5 O3 S -","- C96 H162 N30 O18 S6 -","6","3","","Asuman Durmus; Gorkem Gunbas; Steven C. Farmer; Marilyn M. Olmstead; Mark Mascal; Belete Legese; Jae-Young Cho; Rachel L. Beingessner; Takeshi Yamazaki; Hicham Fenniri","Synthesis of N-substituted Pyrido[4,3-d]pyrimidines for the Large-Scale Production of Self-Assembled Rosettes and Nanotubes","Journal of Organic Chemistry","2013","78","","11421","11426","10.1021/jo4019792","","","0.8856","synchrotron","","0.1021","0.0748","","","0.2142","0.2313","","","","","","1.092","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028761","23.335","0.006","6.2952","0.0015","23.129","0.006","90","","107.557","0.003","90","","3239.3","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,8-Dioxabicyclo[3.3.1]nonane","5-acetyl-8-bromo-4-methyl-6H-2,6-methanobenzo[d][1,3]dioxocine-11-carboxylate","","- C17 H17 Br O5 -","- C17 H17 Br O5 -","- C136 H136 Br8 O40 -","8","1","","Venu Srinivas; Mamoru Koketsu","Synthesis of 2,8-Dioxabicyclo[3.3.1]nonane Derivatives via a Sequential Knoevenagel Condensation and Hetero-Diels-Alder Reaction in an Aqueous Medium","Journal of Organic Chemistry","2013","78","","11612","11617","10.1021/jo401990h","","","0.71075","MoKα","","0.0419","0.0346","","","0.1144","0.1242","","","","","","0.913","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028762","11.033","0.002","10.0044","0.0018","14.451","0.003","90","","95.223","0.004","90","","1588.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Br2 O3 -","- C15 H14 Br2 O3 -","- C60 H56 Br8 O12 -","4","1","","Dong-Liang Mo; Teng Yuan; Chang-Hua Ding; Li-Xin Dai; Xue-Long Hou","Palladacycle-Catalyzed Methylenecyclopropanation of Bicyclic Alkenes with Propiolates","Journal of Organic Chemistry","2013","78","","11470","11476","10.1021/jo402024v","","","0.71073","MoKα","","0.087","0.0409","","","0.0913","0.0989","","","","","","0.82","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028763","7.471","0.006","9.498","0.007","9.667","0.007","77.39","0.014","70.626","0.013","86.718","0.014","631.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C30 H28 O6 -","2","1","","Dong-Liang Mo; Teng Yuan; Chang-Hua Ding; Li-Xin Dai; Xue-Long Hou","Palladacycle-Catalyzed Methylenecyclopropanation of Bicyclic Alkenes with Propiolates","Journal of Organic Chemistry","2013","78","","11470","11476","10.1021/jo402024v","","","0.71073","MoKα","","0.0777","0.0612","","","0.1487","0.1599","","","","","","0.975","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028764","12.152","0.002","7.7729","0.0016","16.896","0.003","90","","98.87","0.03","90","","1576.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 F N O2 -","- C19 H16 F N O2 -","- C76 H64 F4 N4 O8 -","4","1","","Xiaochen Ji; Huawen Huang; Wanqing Wu; Xianwei Li; Huanfeng Jiang","Palladium-Catalyzed Oxidative Coupling of Aromatic Primary Amines and Alkenes under Molecular Oxygen: Stereoselective Assembly of (Z)-Enamines","Journal of Organic Chemistry","2013","78","","11155","11162","10.1021/jo402117r","","","0.71073","MoKα","","0.1049","0.0539","","","0.1479","0.1959","","","","","","1.086","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028765","15.326","0.003","18.541","0.004","11.368","0.003","90","","90","","90","","3230.3","1.3","300","2","300","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","(4'R,5'R,3E)-4-[4',5'-bis(methoxydiphenylmethyl)- 1',3',2'-dioxaborolan-2'-yl]-2-methyl-but-3-en-2-ol","","- C36 H38.5 B N0.5 O5 -","- C36 H38.5 B N0.5 O5 -","- C144 H154 B4 N2 O20 -","4","1","","Roza Vahabi; Wolfgang Frey; Jörg Pietruszka","Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes","Journal of Organic Chemistry","2013","78","","11549","11559","10.1021/jo402130u","","","0.71073","MoKα","","0.0841","0.0467","","","0.1042","0.1145","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028766","10.46","0.0008","16.7619","0.0015","19.5379","0.0017","90","","90","","90","","3425.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,4'R,5'R)-'N,N-dimethyl-3-[4',5'-bis(methoxydiphenylmethyl)- 1',3',2'-dioxaborolan-2'-yl]-5-methyl-hex-4-en amide","","- C39 H44 B N O5 -","- C39 H44 B N O5 -","- C156 H176 B4 N4 O20 -","4","1","","Roza Vahabi; Wolfgang Frey; Jörg Pietruszka","Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes","Journal of Organic Chemistry","2013","78","","11549","11559","10.1021/jo402130u","","","0.71073","MoKα","","0.0562","0.0399","","","0.0823","0.0873","","","","","","1.033","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028767","10.8054","0.0008","15.9392","0.0013","20.1881","0.0017","90","","90","","90","","3477","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3R,4'R,5'R)-N,N-dimethyl-3-[4',5'-bis(methoxydiphenylmethyl)- 1',3',2'-dioxaborolan-2'-yl]-5-methyl-hex-4-en amide","","- C39 H44 B N O5 -","- C39 H44 B N O5 -","- C156 H176 B4 N4 O20 -","4","1","","Roza Vahabi; Wolfgang Frey; Jörg Pietruszka","Synthesis of Highly-Substituted Enantiomerically Pure Allylboronic Esters and Investigation of Their Stereoselective Addition to Aldehydes","Journal of Organic Chemistry","2013","78","","11549","11559","10.1021/jo402130u","","","0.71073","MoKα","","0.069","0.0454","","","0.0859","0.0917","","","","","","1.024","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028768","8.013","0.005","27.362","0.016","25.684","0.014","90","","106.062","0.017","90","","5411","6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H68 F12 N2 O16 P2 -","- C44 H68 F12 N2 O16 P2 -","- C176 H272 F48 N8 O64 P8 -","4","1","","Ziyong Li; Guoxing Liu; Wen Xue; Di Wu; Ying-Wei Yang; Jishan Wu; Sheng Hua Liu; Juyoung Yoon; Jun Yin","Construction of Hetero[n]rotaxanes by Use of Polyfunctional Rotaxane Frameworks","Journal of Organic Chemistry","2013","78","","11560","11570","10.1021/jo402166y","","","0.71073","MoKα","","0.2784","0.2424","","","0.5717","0.583","","","","","","2.209","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028769","7.44","0.003","8.52","0.003","10.916","0.004","82.128","0.007","89.698","0.008","64.857","0.007","619.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N O2 -","- C16 H11 N O2 -","- C32 H22 N2 O4 -","2","1","","Ri-Yuan Tang; Xiao-Kang Guo; Jian-Nan Xiang; Jin-Heng Li","Palladium-Catalyzed Synthesis of 3-Acylated Indoles Involving Oxidative Cross-Coupling of Indoles with α-Amino Carbonyl Compounds","Journal of Organic Chemistry","2013","78","","11163","11171","10.1021/jo402215s","","","0.71073","MoKα","","0.0873","0.0652","","","0.1912","0.2021","","","","","","1.026","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028770","10.102","0.0006","10.1363","0.0006","46.985","0.003","90","","90","","90","","4811.1","0.5","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N3 O4 -","- C26 H33 N3 O4 -","- C208 H264 N24 O32 -","8","2","","Sean K. Liew; Zhi He; Jeffrey D. St. Denis; Andrei K. Yudin","Stereocontrolled Synthesis of 1,2- and 1,3-Diamine Building Blocks from Aziridine Aldehyde Dimers","Journal of Organic Chemistry","2013","78","","11637","11645","10.1021/jo401489q","","","1.54178","CuKα","","0.0313","0.0309","","","0.0763","0.077","","","","","","1.072","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028771","8.6341","0.0003","5.2309","0.0002","15.231","0.0006","90","","95.623","0.002","90","","684.58","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 N2 O -","- C15 H20 N2 O -","- C30 H40 N4 O2 -","2","1","","Sean K. Liew; Zhi He; Jeffrey D. St. Denis; Andrei K. Yudin","Stereocontrolled Synthesis of 1,2- and 1,3-Diamine Building Blocks from Aziridine Aldehyde Dimers","Journal of Organic Chemistry","2013","78","","11637","11645","10.1021/jo401489q","","","1.54178","CuKα","","0.0276","0.0275","","","0.0681","0.0683","","","","","","1.111","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028772","9.17","0.002","12.496","0.002","23.338","0.003","90","","94.72","0.01","90","","2665.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 O3 P2 -","- C31 H30 O3 P2 -","- C124 H120 O12 P8 -","4","1","","Elena D. Matveeva; Tatyana A. Podrugina; Marina A. Taranova; Dmitriy S. Vinogradov; Rolf Gleiter; Nikolay S. Zefirov","Phosphonium-Iodonium Ylides with Heteroatomic Groups in the Synthesis of Annelated P-Containing Heterocycles","Journal of Organic Chemistry","2013","78","","11691","11697","10.1021/jo401514d","","","0.71073","MoKα","","0.0746","0.0495","","","0.1395","0.1708","","","","","","1.025","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028773","28.383","0.001","11.6353","0.0004","15.9062","0.0005","90","","107.593","0.002","90","","5007.2","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 N2 O5 S2 -","- C19 H26 N2 O5 S2 -","- C152 H208 N16 O40 S16 -","8","1","","Pradeep Kumar; Vishwajeet Jha; Rajesh Gonnade","Proline-Catalyzed Asymmetric Synthesis of syn- and anti-1,3-Diamines","Journal of Organic Chemistry","2013","78","","11756","11764","10.1021/jo401722e","","","0.71073","MoKα","","0.1003","0.07","","","0.2094","0.2417","","","","","","1.08","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028774","10.666","0.01","10.666","0.01","18.087","0.017","90","","90","","90","","2058","3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C19 H26 N2 O4 S2 -","- C19 H26 N2 O4 S2 -","- C76 H104 N8 O16 S8 -","4","0.5","","Pradeep Kumar; Vishwajeet Jha; Rajesh Gonnade","Proline-Catalyzed Asymmetric Synthesis of syn- and anti-1,3-Diamines","Journal of Organic Chemistry","2013","78","","11756","11764","10.1021/jo401722e","","","0.71073","MoKα","","0.0418","0.0359","","","0.0932","0.0978","","","","","","1.048","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028775","14.0232","0.0003","12.7797","0.0003","14.9172","0.0005","90","","106.626","0.001","90","","2561.58","0.12","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 B N -","- C32 H34 B N -","- C128 H136 B4 N4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.71073","MoKα","","0.1169","0.0836","","","0.1522","0.1696","","","","","","1.122","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028776","11.0791","0.0002","11.447","0.0002","12.2458","0.0002","100.964","0.001","112.053","0.001","92.043","0.001","1403.33","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 B N O2 -","- C34 H38 B N O2 -","- C68 H76 B2 N2 O4 -","2","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.71073","MoKα","","0.0596","0.0548","","","0.1384","0.1436","","","","","","1.04","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028777","9.6213","0.0015","20.391","0.003","10.9103","0.0017","90","","100.154","0.002","90","","2106.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 B N -","- C26 H30 B N -","- C104 H120 B4 N4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.7107","MoKα","","0.0635","0.0531","","","0.1233","0.1298","","","","","","1.099","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028778","19.3095","0.0012","8.7351","0.0006","15.5396","0.001","90","","108.725","0.009","90","","2482.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 B N -","- C30 H38 B N -","- C120 H152 B4 N4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.71073","MoKα","","0.1117","0.0843","","","0.2017","0.2227","","","","","","1.116","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028779","8.6193","0.0003","26.8803","0.0011","11.685","0.0006","90","","103.057","0.003","90","","2637.3","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 B N -","- C28 H32 B N -","- C112 H128 B4 N4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","1.54178","CuKα","","0.0792","0.0556","","","0.1428","0.1561","","","","","","1.06","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028780","8.8585","0.0002","31.3626","0.0008","9.4406","0.0003","90","","95.78","0.003","90","","2609.51","0.12","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 B N O -","- C31 H38 B N O -","- C124 H152 B4 N4 O4 -","4","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","1.54178","CuKα","","0.0511","0.045","","","0.1184","0.1232","","","","","","1.066","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028781","29.1131","0.0006","10.8631","0.0002","18.7653","0.0004","90","","116.993","0.001","90","","5288.17","0.19","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 B N O -","- C33 H34 B N O -","- C264 H272 B8 N8 O8 -","8","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.71073","MoKα","","0.0918","0.0683","","","0.1474","0.1628","","","","","","1.092","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028782","11.962","0.002","14.969","0.003","16.155","0.003","105.132","0.003","93.171","0.003","93.324","0.003","2780.2","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H68 B2 N2 -","- C64 H68 B2 N2 -","- C128 H136 B4 N4 -","2","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.7107","MoKα","","0.0917","0.0699","","","0.1907","0.2058","","","","","","1.061","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028783","11.3808","0.0014","13.1225","0.0016","16.561","0.002","76.31","0.007","77.264","0.007","67.385","0.006","2195","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H56 B2 N2 -","- C55 H56 B2 N2 -","- C110 H112 B4 N4 -","2","1","","Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds","Journal of Organic Chemistry","2013","78","","11747","11755","10.1021/jo401748d","","","0.7107","MoKα","","0.0743","0.051","","","0.125","0.1382","","","","","","1.088","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028784","27.6966","0.0011","4.8683","0.0002","21.0108","0.0009","90","","118.152","0.002","90","","2497.85","0.18","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N2 O5 -","- C14 H10 N2 O5 -","- C112 H80 N16 O40 -","8","1","","Bright U. Emenike; Albert Tianxiang Liu; Elsy P. Naveo; John D. Roberts","Substituent Effects on Energetics of Peptide-Carboxylate Hydrogen Bonds as Studied by 1H NMR Spectroscopy: Implications for Enzyme Catalysis","Journal of Organic Chemistry","2013","78","","11765","11771","10.1021/jo401762m","","","0.71073","MoKα","","0.0989","0.0708","","","0.0909","0.0923","","","","","","3.508","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028785","9.705","0.002","10.735","0.003","15.984","0.004","103.347","0.003","106.187","0.003","90.024","0.003","1552.3","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 N3 O3 S -","- C35 H41 N3 O3 S -","- C70 H82 N6 O6 S2 -","2","1","","Rachel Aranha Potter; Amy M. Bowser; Yanbo Yang; José S. Madalengoitia; Joseph W. Ziller","Structure-Reactivity Relationships of Zwitterionic 1,3-Diaza-Claisen Rearrangements","Journal of Organic Chemistry","2013","78","","11772","11782","10.1021/jo401810p","","","0.71073","MoKα","","0.0853","0.0549","","","0.1303","0.1445","","","","","","1.037","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028786","9.784","0.0003","11.1537","0.0003","11.4846","0.0003","90.8517","0.0003","98.4236","0.0003","112.35","0.0003","1143.22","0.06","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H33 N3 O4 -","- C24 H33 N3 O4 -","- C48 H66 N6 O8 -","2","1","","Rachel Aranha Potter; Amy M. Bowser; Yanbo Yang; José S. Madalengoitia; Joseph W. Ziller","Structure-Reactivity Relationships of Zwitterionic 1,3-Diaza-Claisen Rearrangements","Journal of Organic Chemistry","2013","78","","11772","11782","10.1021/jo401810p","","","0.71073","MoKα","","0.0378","0.0353","","","0.0904","0.0928","","","","","","1.033","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028787","23.8045","0.0017","10.9781","0.0005","7.5754","0.0004","90","","90","","90","","1979.7","0.2","293","2","293.15","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C8 H7 N2 O2 S2 -","- C9 H7 N O2 S2 -","- C72 H56 N8 O16 S16 -","8","1","","Shuai Liang; Ruo-Yi Zhang; Long-Yi Xi; Shan-Yong Chen; Xiao-Qi Yu","Sulfonylation of Five-Membered Heterocycles via an SNAr Reaction","Journal of Organic Chemistry","2013","78","","11874","11880","10.1021/jo401828b","","","0.7107","MoKα","","0.0657","0.0447","","","0.092","0.1032","","","","","","1.047","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028788","10.1296","0.0007","18.4212","0.0014","11.9851","0.0009","90","","91.991","0.001","90","","2235.1","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O6 -","- C27 H22 N2 O6 -","- C108 H88 N8 O24 -","4","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0494","0.0408","","","0.116","0.1251","","","","","","1.031","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028789","11.5429","0.0005","14.5961","0.0006","13.7283","0.0006","90","","103.401","0.005","90","","2249.98","0.17","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O6 -","- C28 H24 N2 O6 -","- C112 H96 N8 O24 -","4","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0728","0.0486","","","0.1338","0.1396","","","","","","1.054","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028790","11.6208","0.0007","8.9292","0.0006","31.995","0.002","90","","90","","90","","3319.9","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N2 O4 -","- C18 H20 N2 O4 -","- C144 H160 N16 O32 -","8","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0631","0.0502","","","0.1617","0.1728","","","","","","1.433","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028791","22.861","0.002","10.2821","0.0011","18.164","0.003","90","","94.522","0.011","90","","4256.3","0.9","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N2 O6 -","- C26 H18 N2 O6 -","- C208 H144 N16 O48 -","8","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.1716","0.1257","","","0.3173","0.3482","","","","","","1.126","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028792","12.1763","0.0004","12.2873","0.0005","14.78","0.0005","90","","97.307","0.003","90","","2193.33","0.14","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","","Wen-Chung Lin; Ding-Yah Yang","Photochromism of o-Nitrophenyl-Substituted Oxazabicycles","Journal of Organic Chemistry","2013","78","","11798","11806","10.1021/jo401838n","","x-ray","0.71073","MoKα","","0.0648","0.0403","","","0.0875","0.0909","","","","","","0.978","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028793","9.3544","0.0002","28.805","0.0007","11.3634","0.0003","90","","92.382","0.002","90","","3059.26","0.13","180","0.1","180","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C34 H40 O6 -","- C34 H39.5 O6 -","- C136 H158 O24 -","4","2","","Xionghao Lin; Shuai Ji; Xue Qiao; Hongbo Hu; Ni Chen; Yinhui Dong; Yun Huang; Dean Guo; Pengfei Tu; Min Ye","Density Functional Theory Calculations in Stereochemical Determination of Terpecurcumins J-W, Cytotoxic Terpene-Conjugated Curcuminoids from Curcuma longa L.","Journal of Organic Chemistry","2013","78","","11835","11848","10.1021/jo401859u","","","1.5418","CuKα","","0.0605","0.0581","","","0.1624","0.1663","","","","","","1.037","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4028794","8.4052","0.0009","9.2279","0.0009","19.9876","0.002","88.001","0.008","88.103","0.009","81.877","0.009","1533.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl2 N4 -","- C15 H12 Cl2 N4 -","- C60 H48 Cl8 N16 -","4","2","","M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo","Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)","Journal of Organic Chemistry","2013","78","","11824","11834","10.1021/jo401867e","","","0.71073","MoKα","","0.2703","0.0794","","","0.1112","0.1851","","","","","","0.951","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028795","7.6054","0.0014","11.951","0.004","17.019","0.006","90","","90","","90","","1546.9","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo","Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)","Journal of Organic Chemistry","2013","78","","11824","11834","10.1021/jo401867e","","","0.71073","MoKα","","0.2406","0.0813","","","0.0658","0.1049","","","","","","0.986","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028796","16.904","0.004","17","0.004","17.259","0.006","90","","109.76","0.03","90","","4668","2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N4 -","- C19 H15.6667 N4 -","- C228 H188 N48 -","12","3","","M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo","Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)","Journal of Organic Chemistry","2013","78","","11824","11834","10.1021/jo401867e","","","0.71073","MoKα","","0.4947","0.0937","","","0.1166","0.251","","","","","","0.83","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028797","21.257","0.0019","14.0225","0.0013","13.2352","0.0012","90","","101.593","0.002","90","","3864.6","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cl2 N4 Pd -","- C19 H16 Cl2 N4 Pd -","- C152 H128 Cl16 N32 Pd8 -","8","1","","M. Bhanuchandra; Malleswara Rao Kuram; Akhila K. Sahoo","Silver(I)-Catalyzed Reaction between Pyrazole and Propargyl Acetates: Stereoselective Synthesis of the Scorpionate Ligands (E)-Allyl-gem-dipyrazoles (ADPs)","Journal of Organic Chemistry","2013","78","","11824","11834","10.1021/jo401867e","","","0.71073","MoKα","","0.0354","0.0281","","","0.0674","0.0708","","","","","","0.975","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028798","10.0112","0.0005","17.0294","0.0009","10.0896","0.0005","90","","110.047","0.0006","90","","1615.91","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O7 -","- C15 H17 N O7 -","- C60 H68 N4 O28 -","4","1","","Ping Cheng; Wenjie Shao; Derrick L. J. Clive","A General Route to 1,3'-Bipyrroles","Journal of Organic Chemistry","2013","78","","11860","11873","10.1021/jo401892t","","","0.71073","MoKα","","0.0448","0.036","","","0.0903","0.0961","","","","","","1.059","","","","has coordinates,has disorder","178466","2020-10-21","18:00:00",""
"4028799","6.6903","0.0003","9.146","0.0004","23.0313","0.0011","90","","97.33","0.001","90","","1397.76","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","Ping Cheng; Wenjie Shao; Derrick L. J. Clive","A General Route to 1,3'-Bipyrroles","Journal of Organic Chemistry","2013","78","","11860","11873","10.1021/jo401892t","","","0.71073","MoKα","","0.0389","0.0334","","","0.0831","0.0868","","","","","","1.069","","","","has coordinates","178466","2020-10-21","18:00:00",""
"4028800","13.794","0.017","13.183","0.017","16.18","0.02","90","","106.781","0.015","90","","2817","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O -","- C17 H17 N O -","- C136 H136 N8 O8 -","8","1","","Weijun Fu; Fengjuan Xu; Yuqin Fu; Mei Zhu; Jiaqi Yu; Chen Xu; Dapeng Zou","Synthesis of 3,3-Disubstituted Oxindoles by Visible-Light-Mediated Radical Reactions of Aryl Diazonium Salts with N-Arylacrylamides","Journal of Organic Chemistry","2013","78","","12202","12206","10.1021/jo401894b","","","0.71073","MoKα","","0.1325","0.0578","","","0.1458","0.1881","","","","","","0.964","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028801","8.93","0.0005","12.8309","0.0007","14.2483","0.0008","97.358","0.003","92.479","0.003","107.783","0.003","1535.89","0.15","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H41 N O6 Si -","- C32 H41 N O6 Si -","- C64 H82 N2 O12 Si2 -","2","1","","Jaclyn Chau; Sanjia Xu; Marco A. Ciufolini","Assembly of a Key Dienic Intermediate for Tetrodotoxin via a Machetti-DeSarlo Reaction","Journal of Organic Chemistry","2013","78","","11901","11910","10.1021/jo401960p","","","0.71073","MoKα","","0.0499","0.037","","","0.09","0.0975","","","","","","1.033","","","","has coordinates,has Fobs","178467","2020-10-21","18:00:00",""
"4028802","9.5513","0.0011","10.1186","0.0011","17.6081","0.0019","78.541","0.002","77.525","0.002","69.229","0.002","1539.6","0.3","90","0.1","90","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H36 Cl2 N2 O5 Si -","- C29 H36 Cl2 N2 O5 Si -","- C58 H72 Cl4 N4 O10 Si2 -","2","1","","Jaclyn Chau; Sanjia Xu; Marco A. Ciufolini","Assembly of a Key Dienic Intermediate for Tetrodotoxin via a Machetti-DeSarlo Reaction","Journal of Organic Chemistry","2013","78","","11901","11910","10.1021/jo401960p","","","0.71073","MoKα","","0.0524","0.0386","","","0.0983","0.1058","","","","","","1.033","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028803","14.2596","0.0006","10.09","0.0004","15.1424","0.0006","90","","114.587","0.002","90","","1981.14","0.14","100","2","100","2","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N O3 P -","- C22 H26 N O3 P -","- C88 H104 N4 O12 P4 -","4","1","","Lukas Jedinak; LaToya Rush; Mijoon Lee; Dusan Hesek; Jed F. Fisher; Bill Boggess; Bruce C. Noll; Shahriar Mobashery","Use of Silver Carbonate in the Wittig Reaction","Journal of Organic Chemistry","2013","78","","12224","12228","10.1021/jo401972a","","x-ray","1.54178","CuKα","","0.0344","0.033","","","0.0868","0.0882","","","","","","1.078","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028804","5.7023","0.0014","18.621","0.004","20.8","0.005","90","","90","","90","","2208.6","0.9","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 O -","- C28 H26 N2 O -","- C112 H104 N8 O4 -","4","1","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.1461","0.0669","","","0.1428","0.1876","","","","","","0.959","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028805","5.07","0.006","12.757","0.015","33.28","0.04","90","","89.95","0.016","90","","2152","4","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H20 Cl2 N2 O -","- C26 H20 Cl2 N2 O -","- C104 H80 Cl8 N8 O4 -","4","2","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MoKα","","0.1723","0.0783","","","0.2297","0.3104","","","","","","1.012","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028806","10.3801","0.0004","15.2819","0.0005","15.5503","0.0006","90.655","0.002","90.471","0.002","95.063","0.002","2456.82","0.16","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19.5 Br2 N2 O -","- C26 H20 Br2 N2 O -","- C104 H80 Br8 N8 O4 -","4","2","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.1107","0.061","","","0.2119","0.2484","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028807","11.718","0.003","14.078","0.003","13.761","0.003","90","","94.233","0.014","90","","2263.9","0.9","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N4 O5 -","- C26 H20 N4 O5 -","- C104 H80 N16 O20 -","4","1","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.0695","0.0432","","","0.1047","0.1193","","","","","","1.021","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028808","35.3642","0.0014","5.4364","0.0002","21.9052","0.0009","90","","92.293","0.004","90","","4208","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N4 O5 -","- C21 H24 N4 O5 -","- C168 H192 N32 O40 -","8","1","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MoKα","","0.1166","0.0513","","","0.1308","0.1615","","","","","","1.007","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028809","9.4784","0.0008","9.4781","0.0007","46.173","0.004","90","","90","","90","","4148.1","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 Cl2 N2 O -","- C21 H24 Cl2 N2 O -","- C168 H192 Cl16 N16 O8 -","8","2","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MoKα","","0.1644","0.0503","","","0.1064","0.1419","","","","","","0.851","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4028810","30.2766","0.0012","10.3252","0.0004","19.7855","0.0006","90","","92.296","0.002","90","","6180.2","0.4","298","","298","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H14 Cl2 O2 -","- C17 H14 Cl2 O2 -","- C272 H224 Cl32 O32 -","16","4","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.0626","0.0442","","","0.1037","0.1171","","","","","","1.023","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028811","8.7708","0.0006","30.023","0.002","9.596","0.0006","90","","109.811","0.003","90","","2377.3","0.3","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br2 N2 O -","- C27 H22 Br2 N2 O -","- C108 H88 Br8 N8 O4 -","4","1","","Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu","Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry","Journal of Organic Chemistry","2013","78","","11911","11934","10.1021/jo4019733","","","0.71073","MOKα","","0.0986","0.0432","","","0.0887","0.1082","","","","","","1.012","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028812","9.856","0.005","13.199","0.006","7.922","0.004","90","","109.051","0.008","90","","974.1","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Br N O2 -","- C10 H8 Br N O2 -","- C40 H32 Br4 N4 O8 -","4","1","","Ram N. Ram; Vineet Kumar Soni","Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence","Journal of Organic Chemistry","2013","78","","11935","11947","10.1021/jo401985h","","","0.71073","MoKα","","0.1006","0.0648","","","0.185","0.2038","","","","","","1.087","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028813","7.872","0.002","11.776","0.003","13.692","0.004","90","","90.409","0.006","90","","1269.2","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Ram N. Ram; Vineet Kumar Soni","Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence","Journal of Organic Chemistry","2013","78","","11935","11947","10.1021/jo401985h","","","0.71073","MoKα","","0.1028","0.076","","","0.1492","0.1607","","","","","","1.208","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028814","5.8376","0.0011","8.6923","0.0016","12.493","0.002","75.098","0.003","85.414","0.003","74.855","0.003","591.27","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl N O2 -","- C14 H10 Cl N O2 -","- C28 H20 Cl2 N2 O4 -","2","1","","Ram N. Ram; Vineet Kumar Soni","Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence","Journal of Organic Chemistry","2013","78","","11935","11947","10.1021/jo401985h","","","0.71073","MoKα","","0.0397","0.0371","","","0.0859","0.0873","","","","","","1.135","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028815","5.331","0.0008","10.0858","0.0014","11.7987","0.0017","109.051","0.002","101.812","0.002","92.026","0.002","583.35","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Br N O2 -","- C14 H10 Br N O2 -","- C28 H20 Br2 N2 O4 -","2","1","","Ram N. Ram; Vineet Kumar Soni","Synthesis of 3-Alkylbenzoxazolones from N-Alkyl-N-arylhydroxylamines by Contiguous O-Trichloroacetylation, Trichloroacetoxy ortho-Shift, and Cyclization Sequence","Journal of Organic Chemistry","2013","78","","11935","11947","10.1021/jo401985h","","","0.71073","MoKα","","0.0207","0.0197","","","0.053","0.0535","","","","","","1.078","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028816","7.0565","0.0009","11.3492","0.0017","26.647","0.003","78.589","0.009","89.279","0.009","84.548","0.011","2082.4","0.5","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H83 F24 N5 P4 -","- C86 H83 F24 N5 P4 -","- C86 H83 F24 N5 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nicolaas A. Vermeulen; Edward J. Dale; J. Fraser Stoddart","Synthesis of ExnBox Cyclophanes","Journal of Organic Chemistry","2013","78","","11962","11969","10.1021/jo401993n","","","1.54178","CuKα","","0.1188","0.0821","","","0.211","0.2358","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","178467","2020-10-21","18:00:00",""
"4028817","18.014","","11.966","","25.055","","90","","98.57","","90","","5340.44","","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl N2 O -","- C11 H9 Cl N2 O -","- C220 H180 Cl20 N40 O20 -","20","5","","Xiaoqing Xin; Dexuan Xiang; Jiming Yang; Qian Zhang; Fenguo Zhou; Dewen Dong","Homogeneous and Stereoselective Copper(II)-Catalyzed Monohydration of Methylenemalononitriles to 2-Cyanoacrylamides","Journal of Organic Chemistry","2013","78","","11956","11961","10.1021/jo401997v","","","0.71073","MoKα","","0.2317","0.1139","","","0.2258","0.2881","","","","","","1.045","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028818","13.4278","0.0011","10.9087","0.0009","13.4767","0.0011","90","","99.609","0.001","90","","1946.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C88 H80 N16 O8 -","8","2","","Xiaoqing Xin; Dexuan Xiang; Jiming Yang; Qian Zhang; Fenguo Zhou; Dewen Dong","Homogeneous and Stereoselective Copper(II)-Catalyzed Monohydration of Methylenemalononitriles to 2-Cyanoacrylamides","Journal of Organic Chemistry","2013","78","","11956","11961","10.1021/jo401997v","","","0.71073","MoKα","","0.0522","0.0436","","","0.1151","0.1227","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028819","9.4112","0.0002","9.797","0.0002","13.2108","0.0002","100.766","0.001","94.837","0.001","105.426","0.001","1141.9","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","2","","Sunkyu Han; Dustin S. Siegel; Karen C. Morrison; Paul J. Hergenrother; Mohammad Movassaghi","Synthesis and Anticancer Activity of All Known (-)-Agelastatin Alkaloids","Journal of Organic Chemistry","2013","78","","11970","11984","10.1021/jo4020112","","","1.54178","CuKα","","0.0446","0.0412","","","0.1046","0.1073","","","","","","1.015","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028820","17.3834","0.0003","17.3834","0.0003","48.1688","0.0014","90","","90","","120","","12605.7","0.5","150","2","150","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C28 H36 N2 O3 -","- C23 H24 N2 O3 -","- C414 H432 N36 O54 -","18","3","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.54178","CuKα","","0.0942","0.0755","","","0.2105","0.2257","","","","","","1.066","","","","has coordinates,has Fobs","178467","2020-10-21","18:00:00",""
"4028821","11.52756","0.00012","11.52756","0.00012","58.0386","0.0007","90","","90","","90","","7712.44","0.15","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C23 H24 N2 O3 -","- C23 H24 N2 O3 -","- C368 H384 N32 O48 -","16","2","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.54184","CuKα","","0.0708","0.0695","","","0.1554","0.1559","","","","","","1.138","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028822","8.2592","0.0002","5.45466","0.00016","38.5981","0.001","90","","91.672","0.003","90","","1738.15","0.08","150","2","150.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.5418","CuKα","","0.0473","0.0449","","","0.1189","0.1202","","","","","","1.086","","","","has coordinates,has Fobs","178467","2020-10-21","18:00:00",""
"4028823","5.91473","0.00014","17.3076","0.0005","8.6214","0.0002","90","","100.809","0.002","90","","866.91","0.04","150","2","150.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Joanna V. Geden; Benjamin O. Beasley; Guy J. Clarkson; Michael Shipman","Asymmetric Synthesis of 2-Substituted Oxetan-3-ones via Metalated SAMP/RAMP Hydrazones","Journal of Organic Chemistry","2013","78","","12243","12250","10.1021/jo4020485","","","1.5418","CuKα","","0.0408","0.0389","","","0.1079","0.1103","","","","","","1.063","","","","has coordinates,has Fobs","178467","2020-10-21","18:00:00",""
"4028824","21.8697","0.0014","5.5982","0.0004","22.38","0.003","90","","108.856","0.01","90","","2593","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C136 H96 O16 -","8","2","","Yi-Feng Qiu; Fang Yang; Zi-Hang Qiu; Mei-Jin Zhong; Li-Jing Wang; Yu-Ying Ye; Bo Song; Yong-Min Liang","Brønsted Acid Catalyzed and NIS-Promoted Cyclization of Diynones: Selective Synthesis of 4-Pyrone, 4-Pyridone, and 3-Pyrrolone Derivatives","Journal of Organic Chemistry","2013","78","","12018","12028","10.1021/jo402055a","","","0.7107","MoKα","","0.1359","0.0852","","","0.2411","0.2926","","","","","","1.032","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028825","19.701","0.003","10.1591","0.0012","29.095","0.005","90","","102.041","0.014","90","","5695.1","1.5","292.53","0.1","292.53","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O -","- C24 H19 N O -","- C288 H228 N12 O12 -","12","3","","Yi-Feng Qiu; Fang Yang; Zi-Hang Qiu; Mei-Jin Zhong; Li-Jing Wang; Yu-Ying Ye; Bo Song; Yong-Min Liang","Brønsted Acid Catalyzed and NIS-Promoted Cyclization of Diynones: Selective Synthesis of 4-Pyrone, 4-Pyridone, and 3-Pyrrolone Derivatives","Journal of Organic Chemistry","2013","78","","12018","12028","10.1021/jo402055a","","","0.7107","MoKα","","0.2162","0.0604","","","0.1548","0.257","","","","","","0.926","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028826","9.841","0.0004","9.5876","0.0004","22.784","0.002","90","","94.824","0.008","90","","2142.1","0.2","291.64","0.1","291.64","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 I2 N O -","- C24 H17 I2 N O -","- C96 H68 I8 N4 O4 -","4","1","","Yi-Feng Qiu; Fang Yang; Zi-Hang Qiu; Mei-Jin Zhong; Li-Jing Wang; Yu-Ying Ye; Bo Song; Yong-Min Liang","Brønsted Acid Catalyzed and NIS-Promoted Cyclization of Diynones: Selective Synthesis of 4-Pyrone, 4-Pyridone, and 3-Pyrrolone Derivatives","Journal of Organic Chemistry","2013","78","","12018","12028","10.1021/jo402055a","","","0.7107","MoKα","","0.059","0.0386","","","0.0826","0.0944","","","","","","1.056","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028827","7.2895","0.0007","7.8258","0.0014","16.3446","0.0016","85.433","0.011","83.772","0.008","89.605","0.01","923.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-((<i>tert</i>-butyldimethylsilyl)methylene) -2-(2,4-dinitrophenyl)hydrazine","","- C13 H20 N4 O4 Si -","- C13 H20 N4 O4 Si -","- C26 H40 N8 O8 Si2 -","2","1","","Henrik von Wachenfeldt; Daniel Strand","Synthesis of Formylsilanes through Oxidative Cleavage of α-Silyl Glycols","Journal of Organic Chemistry","2013","78","","12268","12273","10.1021/jo402123j","","","0.71073","MoKα","","0.2076","0.1399","","","0.3171","0.3382","","","","","","2.802","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028828","7.935","0.002","8.125","0.002","16.481","0.004","85.89","0.02","80.43","0.02","81.21","0.02","1034.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(<i>E</i>)-1-(2,4-dinitrophenyl)-2-((triisopropylsilyl)methylene)hydrazine","","- C16 H26 N4 O4 Si -","- C16 H26 N4 O4 Si -","- C32 H52 N8 O8 Si2 -","2","1","","Henrik von Wachenfeldt; Daniel Strand","Synthesis of Formylsilanes through Oxidative Cleavage of α-Silyl Glycols","Journal of Organic Chemistry","2013","78","","12268","12273","10.1021/jo402123j","","","0.71073","MoKα","","0.1571","0.0877","","","0.2251","0.286","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028829","37.0549","0.0018","7.4656","0.0003","17.9306","0.0008","90","","113.023","0.005","90","","4565.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-((<i>tert</i>-butyldiphenylsilyl)methylene)-2-(2,4-dinitrophenyl)hydrazine","","- C23 H24 N4 O4 Si -","- C23 H24 N4 O4 Si -","- C184 H192 N32 O32 Si8 -","8","1","","Henrik von Wachenfeldt; Daniel Strand","Synthesis of Formylsilanes through Oxidative Cleavage of α-Silyl Glycols","Journal of Organic Chemistry","2013","78","","12268","12273","10.1021/jo402123j","","","0.71073","MoKα","","0.0942","0.0524","","","0.1061","0.1259","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028830","11.493","0.002","20.119","0.004","14.627","0.003","90","","90.154","0.004","90","","3382.2","1.1","293","2","293","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","","","","- C54 H101 N9 O13 -","- C54 H101 N9 O13 -","- C108 H202 N18 O26 -","2","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.121","0.1138","","","0.2691","0.2709","","","","","","2.182","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028831","14.9724","0.0015","16.2335","0.0017","38.546","0.004","90","","90","","90","","9368.8","1.7","90","2","90","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Leu-D-Leu-Aib)4-OMe.2H2O.2.48C4H8O2","","- C79.92 H151.84 N12 O21.96 -","- C79.92 H151.84 N12 O21.96 -","- C319.68 H607.36 N48 O87.84 -","4","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.084","0.0683","","","0.1776","0.1881","","","","","","1.045","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028832","10.767","0.0012","20.452","0.002","39.305","0.004","90","","90","","90","","8655.2","1.6","90","2","90","2","","","","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","","Boc-(Leu-Aib-D-Leu)4-OMe.CH3OH","","- C71 H132 N12 O16 -","- C71 H132 N12 O16 -","- C284 H528 N48 O64 -","4","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.0748","0.0731","","","0.2131","0.215","","","","","","1.103","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028833","48.52","0.005","9.321","0.0009","37.635","0.004","90","","107.421","0.002","90","","16240","3","200","2","200","2","","","","","","","synthesis","4","C 1 2 1","C 2y","5","","Boc-(Leu-Aib-D-Leu-Aib)3-OMe","","- C66 H120 N12 O15 -","- C66 H120 N12 O15 -","- C528 H960 N96 O120 -","8","2","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.1112","0.0983","","","0.2628","0.2682","","","","","","2.232","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028834","10.381","0.0008","14.179","0.0011","14.3223","0.0011","105.91","0.001","103.484","0.001","110.783","0.001","1762.8","0.2","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","","Boc-Leu-(D-Leu-Leu-Aib)3-OMe","","- C60 H110 N10 O13 -","- C60 H110 N10 O13 -","- C60 H110 N10 O13 -","1","1","","Yosuke Demizu; Hiroko Yamashita; Norikazu Yamazaki; Yukiko Sato; Mitsunobu Doi; Masakazu Tanaka; Masaaki Kurihara","Oligopeptides with Equal Amounts of l- and d-Amino Acids May Prefer a Helix Screw Sense","Journal of Organic Chemistry","2013","78","","12106","12113","10.1021/jo402133e","","","0.71073","MoKα","","0.0792","0.077","","","0.2063","0.2081","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028835","26.6957","0.0013","9.4112","0.0005","13.5643","0.0007","90","","115.845","0.002","90","","3067","0.3","160","","160","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 N O2 -","- C17 H25 N O2 -","- C136 H200 N8 O16 -","8","1","","Xiao-Chuan Cai; Barry B. Snider","Synthesis of the Spiroiminal Moiety and Approaches to the Synthesis of Marineosins A and B","Journal of Organic Chemistry","2013","78","","12161","12175","10.1021/jo402178r","","","0.71073","MoKα","","0.0483","0.0434","","0.1117","0.1042","0.1117","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028836","5.041","0.003","10.187","0.006","10.943","0.007","92.56","0.03","95.52","0.04","101.11","0.04","547.7","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","- C22 H32 N2 O5 -","1","1","","Michael W. Giuliano; Stacy J. Maynard; Aaron M. Almeida; Andrew G. Reidenbach; Li Guo; Emily C. Ulrich; Ilia A. Guzei; Samuel H. Gellman","Evaluation of a Cyclopentane-Based γ-Amino Acid for the Ability to Promote α/γ-Peptide Secondary Structure","Journal of Organic Chemistry","2013","78","","12351","12361","10.1021/jo401501g","","","1.54178","CuKα","","0.0308","0.0307","","","0.0803","0.0805","","","","","","1.034","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028837","11.0418","0.0008","11.3456","0.0009","28.3218","0.0019","90","","93.79","0.007","90","","3540.3","0.4","200.01","0.1","200.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O2 -","- C23 H18 N2 O2 -","- C184 H144 N16 O16 -","8","2","","Wen-Juan Hao; Jian-Qiang Wang; Xiao-Ping Xu; Shi-Lei Zhang; Shun-Yi Wang; Shun-Jun Ji","I2/O2-Promoted Domino Reactions of Isatins or 3-Hydroxyindolin-2-one Derivatives with Enaminones","Journal of Organic Chemistry","2013","78","","12362","12373","10.1021/jo401773j","","","0.7107","MoKα","","0.1456","0.0658","","","0.1455","0.1962","","","","","","0.88","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028838","30.901","0.004","30.901","0.004","8.0232","0.0011","90","","90","","90","","7661.1","1.8","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C22 H15 I N2 O -","- C22 H15 I N2 O -","- C352 H240 I16 N32 O16 -","16","1","","Wen-Juan Hao; Jian-Qiang Wang; Xiao-Ping Xu; Shi-Lei Zhang; Shun-Yi Wang; Shun-Jun Ji","I2/O2-Promoted Domino Reactions of Isatins or 3-Hydroxyindolin-2-one Derivatives with Enaminones","Journal of Organic Chemistry","2013","78","","12362","12373","10.1021/jo401773j","","","0.7107","MoKα","","0.1324","0.1149","","","0.4048","0.422","","","","","","1.105","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028839","14.273","0.01","9.963","0.007","16.258","0.011","90","","104.948","0.016","90","","2234","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C96 H100 N4 O16 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.1801","0.0956","","","0.2922","0.3456","","","","","","1.061","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028840","26.8945","0.0005","7.7214","0.0002","20.9187","0.0005","90","","91.813","0.002","90","","4341.87","0.17","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl2 N O3 S -","- C23 H23 Cl2 N O3 S -","- C184 H184 Cl16 N8 O24 S8 -","8","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.0526","0.0402","","","0.1141","0.1303","","","","","","1.114","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028841","27.4024","0.0016","7.8236","0.0005","20.6553","0.0013","90","","90.576","0.002","90","","4428","0.5","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Br2 N O3 S -","- C23 H23 Br2 N O3 S -","- C184 H184 Br16 N8 O24 S8 -","8","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.0468","0.0295","","","0.0775","0.0927","","","","","","1.11","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028842","19.08","0.006","6.626","0.002","20.154","0.006","90","","111.498","0.005","90","","2370.7","1.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 N2 O3 S -","- C26 H29 N O4 S -","- C104 H116 N4 O16 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.1383","0.0685","","","0.175","0.2231","","","","","","0.856","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028843","15.8523","0.0017","7.7562","0.0008","12.8718","0.0015","90","","96.761","0.006","90","","1571.6","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.0768","0.0503","","","0.13","0.1487","","","","","","1.05","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028844","13.1578","0.0005","6.6606","0.0002","20.2062","0.0008","90","","90.271","0.003","90","","1770.83","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.0947","0.0601","","","0.1643","0.1982","","","","","","1.108","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028845","13.04","0.03","6.146","0.015","19.61","0.05","90","","91.44","0.05","90","","1571","7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O2 S -","- C17 H19 N O2 S -","- C68 H76 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.4288","0.0991","","","0.2046","0.403","","","","","","0.881","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028846","8.1142","0.0007","9.5567","0.0008","10.7665","0.001","99.979","0.002","100.197","0.002","91.307","0.003","808.04","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C38 H40 O6 -","2","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","0.71073","MoKα","","0.119","0.0552","","","0.1449","0.1949","","","","","","1.027","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028847","16.9621","0.0003","16.9621","0.0003","9.6648","0.0003","90","","90","","90","","2780.69","0.11","150","","150","","","","","","","","","4","I 4","I 4","79","","","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C88 H152 N8 O40 -","8","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","1.54184","CuKα","","0.0465","0.0417","","0.1219","0.1131","0.1219","","","","","","0.9592","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028848","8.8277","0.0003","7.6317","0.0002","14.3944","0.0004","90","","98.519","0.003","90","","959.06","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26.64 N O2 -","- C22 H26.6439 N O2 -","- C44 H53.2878 N2 O4 -","2","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","1.54184","CuKα","","0.0397","0.0368","","0.097","0.0937","0.097","","","","","","0.9969","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4028849","10.6664","0.0012","7.2589","0.0009","11.7104","0.0014","90","","98.315","0.006","90","","897.16","0.19","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C42 H50 N2 O6 -","2","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","0.71073","MoKα","","0.0798","0.0658","","0.1572","0.1478","0.1572","","","","","","0.9178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028850","9.6934","0.0002","10.0175","0.0002","12.9042","0.0003","90","","108.306","0.001","90","","1189.63","0.04","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N O4 -","- C25 H35 N O4 -","- C50 H70 N2 O8 -","2","1","","Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson","Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide","Journal of Organic Chemistry","2013","78","","12397","12408","10.1021/jo4020563","","","0.71073","MoKα","","0.052","0.0416","","0.1074","0.0958","0.1074","","","","","","0.9134","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028851","10.6741","0.0008","12.3578","0.0009","15.4377","0.0011","90","","98.518","0.003","90","","2013.9","0.3","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","Phomoxanthone A","Phomoxanthone A hemi(ethyl acetate) hemi-hydrate","","- C38 H38 O16 -","- C38 H38 O16 -","- C76 H76 O32 -","2","1","","David Rönsberg; Abdessamad Debbab; Attila Mándi; Vera Vasylyeva; Philip Böhler; Björn Stork; Laura Engelke; Alexandra Hamacher; Richard Sawadogo; Marc Diederich; Victor Wray; WenHan Lin; Matthias U. Kassack; Christoph Janiak; Stefanie Scheu; Sebastian Wesselborg; Tibor Kurtán; Amal H. Aly; Peter Proksch","Pro-Apoptotic and Immunostimulatory Tetrahydroxanthone Dimers from the Endophytic Fungus Phomopsis longicolla","Journal of Organic Chemistry","2013","78","","12409","12425","10.1021/jo402066b","","","1.54178","CuKα","","0.047","0.0461","","","0.1263","0.1271","","","","","","1.079","","","","has coordinates,has disorder","178467","2020-10-21","18:00:00",""
"4028852","20.875","0.004","14.302","0.003","10.553","0.002","90","","102.85","0.03","90","","3071.7","1.1","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C136 H184 N8 O16 -","8","2","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.2375","0.12","","","0.1806","0.216","","","","","","1.879","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028853","5.6271","0.0016","13.257","0.004","20.571","0.007","90","","90","","90","","1534.6","0.8","178","2","178","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O3 S -","- C15 H22 O3 S -","- C60 H88 O12 S4 -","4","1","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.0792","0.0582","","","0.1419","0.16","","","","","","1.028","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028854","27.518","0.008","6.7633","0.0013","30.912","0.007","90","","94.103","0.007","90","","5738","2","188","2","188","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N4 O12 -","- C24 H24 N4 O12 -","- C192 H192 N32 O96 -","8","1","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.1621","0.1071","","","0.2764","0.3373","","","","","","1.034","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028855","10.6535","0.0018","12.7422","0.0018","19.093","0.002","73.751","0.019","75.66","0.02","85.64","0.02","2410.7","0.7","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N2 O8 S -","- C22 H24 N2 O8 S -","- C88 H96 N8 O32 S4 -","4","2","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.2753","0.1516","","","0.3048","0.3953","","","","","","1.419","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028856","13.755","0.003","16.362","0.003","10.483","0.002","90","","104.44","0.03","90","","2284.8","0.8","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N2 O7 -","- C25 H26 N2 O7 -","- C100 H104 N8 O28 -","4","1","","Ramesh C. Dhakal; R. Karl Dieter","Regio- and Stereocontrol in the Michael-Initiated Ring-Closure Reactions of γ,δ-Epoxy-α,β-unsaturated Esters, Ketones, Sulfones, and Amides","Journal of Organic Chemistry","2013","78","","12426","12439","10.1021/jo402075d","","","0.71073","MoKα","","0.0904","0.0731","","","0.1981","0.226","","","","","","1.098","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028857","8.3665","0.0005","12.8349","0.0007","13.9064","0.0008","92.895","0.005","90.071","0.005","92.334","0.004","1490.16","0.15","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H23 Fe N3 S -","- C36 H23 Fe N3 S -","- C72 H46 Fe2 N6 S2 -","2","1","","Rajneesh Misra; Prabhat Gautam; Shaikh M. Mobin","Aryl-Substituted Unsymmetrical Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","12440","12452","10.1021/jo402111q","","","0.71073","MoKα","","0.0521","0.0443","","","0.1367","0.1441","","","","","","1.107","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028858","10.7116","0.0002","19.331","0.0003","10.3975","0.0002","90","","115.994","0.002","90","","1935.17","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 Fe N3 S -","- C25 H15 Fe N3 S -","- C100 H60 Fe4 N12 S4 -","4","1","","Rajneesh Misra; Prabhat Gautam; Shaikh M. Mobin","Aryl-Substituted Unsymmetrical Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","12440","12452","10.1021/jo402111q","","","1.5418","CuKα","","0.0332","0.0308","","","0.0824","0.0841","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028859","14.4585","0.0003","7.5393","0.0001","23.5366","0.0004","90","","96.619","0.002","90","","2548.55","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 Fe N2 S -","- C34 H20 Fe N2 S -","- C136 H80 Fe4 N8 S4 -","4","1","","Rajneesh Misra; Prabhat Gautam; Shaikh M. Mobin","Aryl-Substituted Unsymmetrical Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","12440","12452","10.1021/jo402111q","","","1.5418","CuKα","","0.0423","0.0323","","","0.0849","0.091","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4028860","20.1248","0.0003","8.1436","0.0001","16.4453","0.0003","90","","93.096","0.001","90","","2691.26","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Cl3 Fe N3 S -","- C31 H20 Cl3 Fe N3 S -","- C124 H80 Cl12 Fe4 N12 S4 -","4","1","","Rajneesh Misra; Prabhat Gautam; Shaikh M. Mobin","Aryl-Substituted Unsymmetrical Benzothiadiazoles: Synthesis, Structure, and Properties","Journal of Organic Chemistry","2013","78","","12440","12452","10.1021/jo402111q","","","0.71073","MoKα","","0.0356","0.0302","","","0.0718","0.0755","","","","","","1.027","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028861","11.83","0.002","8.916","0.002","12.804","0.002","90","","99.082","0.009","90","","1333.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","3-hydroxy-3-(1-hydroxycyclohexyl)-2-methylisoindolin-1-one","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0525","0.0389","","","0.0972","0.1037","","","","","","1.054","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028862","13.919","0.011","9.284","0.006","14.029","0.009","90","","88.1","0.03","90","","1812","2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(4-tert-butyl-1-hydroxycyclohexyl)-3-hydroxy-2-methylisoindolin-1-one","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0712","0.0467","","","0.1176","0.1321","","","","","","1.048","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028863","8.7086","0.0012","5.7304","0.0006","17.984","0.002","90","","101.455","0.006","90","","879.59","0.18","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(propan-2-ylidene)isoindolin-1-one","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0418","0.038","","","0.0969","0.0992","","","","","","1.066","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028864","7.7636","0.0007","16.5858","0.0011","9.1023","0.0007","90","","107.742","0.004","90","","1116.32","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-2-methyl-3-(2-methylpropylidene)isoindolin-1-one","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0614","0.0436","","","0.1188","0.1252","","","","","","1.103","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028865","8.5149","0.0012","8.6262","0.0013","10.788","0.002","110.318","0.009","103.934","0.007","101.948","0.008","683.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(E)-3-(3-methoxybenzylidene)-2-methylisoindolin-1-one","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C34 H30 N2 O4 -","2","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0747","0.0503","","","0.128","0.1367","","","","","","0.956","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028866","7.9701","0.0009","16.241","0.002","10.4629","0.0011","90","","87.44","0.005","90","","1353","0.3","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(E)-3-(benzo[d][1,3]dioxol-5-ylmethylene)-2-methylisoindolin-1-one","","- C17 H13 N O3 -","- C17 H13 N O3 -","- C68 H52 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0731","0.0429","","","0.1006","0.1093","","","","","","1.019","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028867","9.5792","0.0007","11.4148","0.0009","11.4639","0.0007","90","","93.012","0.004","90","","1251.78","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-3-(4-fluorobenzylidene)-2-methylisoindolin-1-one","","- C16 H12 F N O -","- C16 H12 F N O -","- C64 H48 F4 N4 O4 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0518","0.0393","","","0.1054","0.1108","","","","","","1.069","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028868","10.642","0.005","19.168","0.012","11.125","0.004","90","","111.89","0.02","90","","2105.7","1.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z)-3-(2-methylpropylidene)isoindolin-1-one","","- C12 H13 N O -","- C12 H13 N O -","- C96 H104 N8 O8 -","8","2","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.14","0.0549","","","0.1232","0.1457","","","","","","0.898","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028869","7.135","0.0009","9.5257","0.0015","10.5396","0.0018","101.925","0.006","109.686","0.007","104.211","0.005","620.11","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","(Z)-3-(2-methoxybenzylidene)isoindolin-1-one","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C32 H26 N2 O4 -","2","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.0557","0.0407","","","0.1095","0.1142","","","","","","1.063","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028870","8.896","0.002","15.281","0.004","10.5883","0.0018","90","","97.549","0.008","90","","1426.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","(Z)-3-benzylidene-4,5-dimethoxyisoindolin-1-one","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Naoki Kise; Yusuke Kawano; Toshihiko Sakurai","Reductive Coupling of Phthalimides with Ketones and Aldehydes by Low-Valent Titanium: One-Pot Synthesis of Alkylideneisoindolin-1-ones","Journal of Organic Chemistry","2013","78","","12453","12459","10.1021/jo402125u","","","0.71075","MoKα","","0.096","0.044","","","0.0926","0.1034","","","","","","0.947","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028871","11.1402","0.0004","19.9585","0.0006","8.477","0.0003","90","","105.839","0.004","90","","1813.23","0.11","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","1","","Ennaji Najahi; Nicolas Vanthuyne; Françoise Nepveu; Marion Jean; Ibon Alkorta; José Elguero; Christian Roussel","Atropisomerization in N-aryl-2(1H)-pyrimidin-(thi)ones: A Ring-Opening/Rotation/Ring-Closure Process in Place of a Classical Rotation around the Pivot Bond","Journal of Organic Chemistry","2013","78","","12577","12584","10.1021/jo402149f","","","0.71073","MoKα","","0.0563","0.0373","","0.0504","0.0421","0.0403","","","","","","1.1242","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028872","9.809","0.001","10.7205","0.0009","17.2919","0.0016","90","","90","","90","","1818.4","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 Br N O8 -","- C17 H20 Br N O8 -","- C68 H80 Br4 N4 O32 -","4","1","","Raquel G. Soengas; Humberto Rodríguez-Solla; Artur M. S. Silva; Ricardo Llavona; Filipe A. Almeida Paz","Synthesis of Enantiopure 2-C-Glycosyl-3-nitrochromenes","Journal of Organic Chemistry","2013","78","","12831","12836","10.1021/jo4021634","","","0.71073","MoKα","","0.0316","0.0269","","","0.0606","0.0624","","","","","","1.05","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028873","8.8179","0.0003","10.3559","0.0004","11.765","0.0004","68.551","0.002","84.289","0.002","65.136","0.002","905.38","0.06","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C24 H18 O6 -","- C24 H18 O6 -","- C48 H36 O12 -","2","1","","Alejandro Criado; Manuel Vilas-Varela; Agustín Cobas; Dolores Pérez; Diego Peña; Enrique Guitián","Stereoselective Tandem Cascade Furan Cycloadditions","Journal of Organic Chemistry","2013","78","","12637","12649","10.1021/jo4022265","","x-ray","0.7107","MoKα","","0.0412","0.0372","","","0.0991","0.1021","","","","","","1.046","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028874","12.4297","0.0002","10.2084","0.0002","16.782","0.0003","90","","108.126","0.001","90","","2023.75","0.06","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 O2 -","- C32 H20 O2 -","- C128 H80 O8 -","4","1","","Alejandro Criado; Manuel Vilas-Varela; Agustín Cobas; Dolores Pérez; Diego Peña; Enrique Guitián","Stereoselective Tandem Cascade Furan Cycloadditions","Journal of Organic Chemistry","2013","78","","12637","12649","10.1021/jo4022265","","x-ray","0.7107","MoKα","","0.0948","0.0501","","","0.1007","0.1147","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028875","9.3481","0.0004","15.1543","0.0008","17.5589","0.0008","102.658","0.003","93.541","0.003","92.639","0.003","2417.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","gr1ac367F3","","","- C38 H24 O3 -","- C38 H24 O3 -","- C152 H96 O12 -","4","2","","Alejandro Criado; Manuel Vilas-Varela; Agustín Cobas; Dolores Pérez; Diego Peña; Enrique Guitián","Stereoselective Tandem Cascade Furan Cycloadditions","Journal of Organic Chemistry","2013","78","","12637","12649","10.1021/jo4022265","","","0.71073","MoKα","","0.1675","0.0687","","","0.141","0.1919","","","","","","1.017","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028876","19.732","0.003","9.1276","0.0014","10.1906","0.0016","90","","116.057","0.002","90","","1648.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","0.5","","Jian-Ping Li; Yu Huang; Ming-Sheng Xie; Gui-Rong Qu; Hong-Ying Niu; Hai-Xia Wang; Bo-Wen Qin; Hai-Ming Guo","One-Pot Synthesis of 7,9-Dialkylpurin-8-one Analogues: Broad Substrate Scope","Journal of Organic Chemistry","2013","78","","12629","12636","10.1021/jo402248d","","","0.71073","MoKα","","0.0483","0.0354","","","0.0873","0.0962","","","","","","1.053","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028877","10.8408","0.0004","18.4917","0.0007","9.6835","0.0004","90","","100.102","0.001","90","","1911.11","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl N O6 -","- C20 H19 Cl N O6 -","- C80 H76 Cl4 N4 O24 -","4","1","","Ram Tilak Naganaboina; Rama Krishna Peddinti","BF3.Etherate-Mediated Friedel-Crafts Arylation of 2-Hydroxy-1,4-benzoxazines: Synthesis of 2-Aryl-1,4-benzoxazine Derivatives","Journal of Organic Chemistry","2013","78","","12819","12824","10.1021/jo402254n","","","0.71073","MoKα","","0.0542","0.0456","","","0.1491","0.1574","","","","","","1.275","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028878","11.5447","0.0004","14.427","0.0005","19.4717","0.0007","90","","90","","90","","3243.1","0.2","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H29 Cl3 F6 N4 O2 -","- C31 H29 Cl3 F6 N4 O2 -","- C124 H116 Cl12 F24 N16 O8 -","4","1","","Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu","Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol","Journal of Organic Chemistry","2013","78","","12671","12680","10.1021/jo402277p","","","0.71073","MoKα","","0.0648","0.0536","","","0.1278","0.1349","","","","","","0.928","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028879","10.532","0.003","10.532","0.003","44.888","0.012","90","","90","","90","","4979","2","153","2","153","2","","","","","","","","5","P 43","P 4cw","78","","","","- C28 H24 F6 N4 O2 -","- C28 H24 F6 N4 O2 -","- C224 H192 F48 N32 O16 -","8","2","","Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu","Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol","Journal of Organic Chemistry","2013","78","","12671","12680","10.1021/jo402277p","","","0.71073","MoKα","","0.0913","0.0891","","","0.2127","0.2137","","","","","","1.189","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028880","18.621","0.006","9.489","0.003","11.431","0.003","90","","96.732","0.008","90","","2005.9","1","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C38 H38 Cl6 F6 N4 O2 -","- C38 H38 Cl6 F6 N4 O2 -","- C76 H76 Cl12 F12 N8 O4 -","2","0.5","","Shanshan Yu; Winston Plunkett; Michael Kim; Elaine Wu; Michal Sabat; Lin Pu","Molecular Recognition of Aliphatic Diamines by 3,3'-Di(trifluoroacetyl)-1,1'-bi-2-naphthol","Journal of Organic Chemistry","2013","78","","12671","12680","10.1021/jo402277p","","","0.71073","MoKα","","0.1","0.0882","","","0.1975","0.2049","","","","","","1.058","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028881","10.244","0.009","8.151","0.003","10.261","0.01","90","","117.66","0.04","90","","758.9","1.1","293","2","298","2","","","","","","","Synthesis","3","P 1 21 1","P 2yb","4","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C40 H32 N4 -","2","1","","Nared Phetrak; Thanya Rukkijakan; Jakkapan Sirijaraensre; Samran Prabpai; Palangpon Kongsaeree; Chayada Klinchan; Pitak Chuawong","Regioselectivity of Larock Heteroannulation: A Contribution from Electronic Properties of Diarylacetylenes","Journal of Organic Chemistry","2013","78","","12703","12709","10.1021/jo402304s","","x-ray","0.71073","MoKα","","0.0506","0.04","","","0.0953","0.1032","","","","","","1.034","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028882","8.758","0.0003","19.883","0.0006","9.721","0.0003","90","","102.512","0.0013","90","","1652.57","0.09","298","2","298","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O -","- C22 H18 N2 O -","- C88 H72 N8 O4 -","4","1","","Nared Phetrak; Thanya Rukkijakan; Jakkapan Sirijaraensre; Samran Prabpai; Palangpon Kongsaeree; Chayada Klinchan; Pitak Chuawong","Regioselectivity of Larock Heteroannulation: A Contribution from Electronic Properties of Diarylacetylenes","Journal of Organic Chemistry","2013","78","","12703","12709","10.1021/jo402304s","","x-ray","0.71073","MoKα","","0.083","0.0505","","","0.1323","0.1507","","","","","","1.095","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028883","12.3598","0.0007","8.2062","0.0006","14.7005","0.0009","90","","108.807","0.004","90","","1411.42","0.16","99.97","","99.97","","","","","","","","","6","P 1 21 1","P 2yb","4","","(3R,5R)-3-butyl-8-(diethoxyphosphorylmethyl)-3-ethyl-7-methoxy-5- phenyl-4,5-dihydro-2H-benzo[f][1,4]thiazepine 1,1-dioxide","","- C27 H40 N O6 P S -","- C27 H40 N O6 P S -","- C54 H80 N2 O12 P2 S2 -","2","1","","David J. Cowan; Jon L. Collins; Mark B. Mitchell; John A. Ray; Peter W. Sutton; Amy A. Sarjeant; Eric E. Boros","Enzymatic- and Iridium-Catalyzed Asymmetric Synthesis of a Benzothiazepinylphosphonate Bile Acid Transporter Inhibitor","Journal of Organic Chemistry","2013","78","","12726","12734","10.1021/jo402311e","","","1.54184","CuKα","","0.0725","0.0559","","","0.1318","0.1419","","","","","","1.035","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028884","10.6443","0.0005","12.4845","0.0006","12.8966","0.0006","104.609","0.002","96.556","0.002","104.52","0.002","1576.38","0.13","133","2","133","2","","","","","","","","4","P 1","P 1","1","","","","- C37 H37 N O7 -","- C37 H37 N O7 -","- C74 H74 N2 O14 -","2","2","","Tobias Becker; Helmar Görls; Gerhard Pauls; Roland Wedekind; Marco Kai; Stephan H. von Reuß; Wilhelm Boland","Synthesis of Isoxazolin-5-one Glucosides by a Cascade Reaction","Journal of Organic Chemistry","2013","78","","12779","12783","10.1021/jo4023155","","","0.71073","MoKα","","0.0332","0.0299","","","0.0712","0.073","","","","","","1.041","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028885","9.4491","0.0016","12.552","0.002","20.936","0.004","105.802","0.003","90.987","0.003","101.867","0.003","2331.1","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H21 Cl N4 -","- C27 H21 Cl N4 -","- C108 H84 Cl4 N16 -","4","2","","Dan Mao; Jun Tang; Wenbo Wang; Shengying Wu; Xin Liu; Jianjun Yu; Limin Wang","Scandium Pentafluorobenzoate-Catalyzed Unexpected Cascade Reaction of 2-Aminobenzaldehydes with Primary Amines: A Process for the Preparation of Ring-Fused Aminals","Journal of Organic Chemistry","2013","78","","12848","12854","10.1021/jo402331t","","","0.71073","MoKα","","0.0729","0.0611","","","0.1977","0.2094","","","","","","1.049","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028886","7.5666","0.0006","20.5185","0.0017","21.166","0.0018","90","","90","","90","","3286.1","0.5","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C168 H152 N24 -","8","1","","Dan Mao; Jun Tang; Wenbo Wang; Shengying Wu; Xin Liu; Jianjun Yu; Limin Wang","Scandium Pentafluorobenzoate-Catalyzed Unexpected Cascade Reaction of 2-Aminobenzaldehydes with Primary Amines: A Process for the Preparation of Ring-Fused Aminals","Journal of Organic Chemistry","2013","78","","12848","12854","10.1021/jo402331t","","","0.71073","MoKα","","0.0611","0.0502","","","0.1308","0.1386","","","","","","1.051","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028887","11.3009","0.0002","7.81","0.0001","20.9263","0.0003","90","","98.766","0.001","90","","1825.38","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O2 -","- C23 H19 N3 O2 -","- C92 H76 N12 O8 -","4","1","","Junbo Li; Junkuo Gao; Gang Li; Weiwei Xiong; Qichun Zhang","Azaisoquinolinones: N Positions Tell You Different Stories in Their Optical Properties","Journal of Organic Chemistry","2013","78","","12760","12768","10.1021/jo402338n","","","1.54178","CuKα","","0.0469","0.038","","","0.1203","0.1334","","","","","","0.99","","","","has coordinates","178467","2020-10-21","18:00:00",""
"4028888","14.3831","0.0004","9.8993","0.0003","14.8185","0.0005","90","","102.054","0.001","90","","2063.38","0.11","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 N O4 S -","- C23 H23 N O4 S -","- C92 H92 N4 O16 S4 -","4","1","","Ming-Chang P. Yeh; Ming-Nan Lin; Ching-Hsien Hsu; Chia-Jung Liang","Syntheses of 3,4-Disubstituted Pyrroles and Furans via Lewis Acid-Promoted Semipinacol Rearrangement/Alkyne-Ketone Metathesis Reaction of (C)-2-N- or O-((3-Arylpropargyl)methyl)-Tethered 3,5,5-Trimethyl-2,3-epoxycyclohexan-1-ones","Journal of Organic Chemistry","2013","78","","12381","12396","10.1021/jo402025z","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029688","10.1476","0.0009","15.7426","0.0014","10.5615","0.0009","90","","115.257","0.002","90","","1525.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H27 Au Cl P -","- C38 H27 Au Cl P -","- C76 H54 Au2 Cl2 P2 -","2","1","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.025","0.0231","","","0.0538","0.055","","","","","","1.022","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029689","9.0411","0.0007","13.4833","0.001","21.9878","0.0016","90","","90","","90","","2680.4","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H23 Au Cl O P -","- C32 H23 Au Cl O P -","- C128 H92 Au4 Cl4 O4 P4 -","4","1","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.0468","0.0378","","","0.068","0.0707","","","","","","0.982","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029690","7.6103","0.0005","12.6408","0.0008","34.029","0.002","90","","90","","90","","3273.6","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H22 Au F6 I N2 -","- C36 H22 Au F6 I N2 -","- C144 H88 Au4 F24 I4 N8 -","4","1","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.0604","0.0482","","","0.1072","0.1131","","","","","","1.041","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029691","9.6909","0.0005","18.5814","0.0009","36.0427","0.0018","90","","90","","90","","6490.2","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H22 Au F6 I N2 -","- C36 H22 Au F6 I N2 -","- C288 H176 Au8 F48 I8 N16 -","8","2","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.0684","0.0421","","","0.0793","0.0881","","","","","","0.947","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029692","5.8492","0.0016","13.351","0.004","21.102","0.006","90","","91.971","0.005","90","","1646.9","0.8","273","2","273","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 -","- C26 H16 -","- C104 H64 -","4","1","","Sun, Yin-Wei; Xu, Qin; Shi, Min","Synthesis of axially chiral gold complexes and their applications in asymmetric catalyses.","Beilstein journal of organic chemistry","2013","9","","2224","2232","10.3762/bjoc.9.261","","","0.71073","MoKα","","0.1055","0.0678","","","0.163","0.1823","","","","","","1.054","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029693","7.626","0.004","25.042","0.012","8.473","0.004","90","","116.762","0.008","90","","1444.8","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H21 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","2","","Lefranc, Julien; Minassi, Alberto; Clayden, Jonathan","Carbolithiation of N-alkenyl ureas and N-alkenyl carbamates.","Beilstein journal of organic chemistry","2013","9","","628","632","10.3762/bjoc.9.70","","","0.71073","MoKα","","0.0567","0.0456","","","0.0991","0.1039","","","","","","1.062","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029694","18.293","0.002","22.343","0.003","9.9739","0.0013","90","","90","","90","","4076.5","0.9","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C21 H27 Cl N2 O2 -","- C21 H27 Cl N2 O2 -","- C168 H216 Cl8 N16 O16 -","8","1","","Lefranc, Julien; Minassi, Alberto; Clayden, Jonathan","Carbolithiation of N-alkenyl ureas and N-alkenyl carbamates.","Beilstein journal of organic chemistry","2013","9","","628","632","10.3762/bjoc.9.70","","","0.71073","MoKα","","0.136","0.0717","","","0.1855","0.2172","","","","","","0.983","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029695","4.2681","0.0009","10.435","0.002","24.586","0.005","90","","90.2","0.03","90","","1095","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","3-nitro-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazole","","- C10 H6 F3 N3 O3 -","- C10 H6 F3 N3 O3 -","- C40 H24 F12 N12 O12 -","4","2","","Kurpet, Marta K.; Dąbrowska, Aleksandra; Jarosz, Małgorzata M; Kajewska-Kania, Katarzyna; Kuźnik, Nikodem; Suwiński, Jerzy W","Coupling of C-nitro-NH-azoles with arylboronic acids. A route to N-aryl-C-nitroazoles.","Beilstein journal of organic chemistry","2013","9","","1517","1525","10.3762/bjoc.9.173","","","0.71073","MoKα","","0.0806","0.0455","","","0.1276","0.1494","","","","","","1.008","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029696","10.9397","0.0002","10.1557","0.0002","12.7466","0.0002","90","","109.839","0.001","90","","1332.1","0.04","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","16-(Dimethylaminomethyl)salvinorin A","(2<i>S</i>,4a<i>R</i>,6a<i>R</i>,7<i>R</i>,9<i>S</i>,10a<i>S</i>,10b<i>R</i>)- Methyl 9-Acetoxy-2-[2-(dimethylaminomethyl)-3-furyl]-6a,10b-dimethyl- 4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1<i>H</i>-benzo[<i>f</i>]isochromene- 7-carboxylate","","- C26.5 H36.5 N O8.25 -","- C26.5 H36.5 N O8.25 -","- C53 H73 N2 O16.5 -","2","1","","Munro, Thomas A.; Xu, Wei; Ho, Douglas M.; Liu-Chen, Lee-Yuan; Cohen, Bruce M.","Studies toward bivalent κ opioids derived from salvinorin A: heteromethylation of the furan ring reduces affinity.","Beilstein journal of organic chemistry","2013","9","","2916","2924","10.3762/bjoc.9.328","","","0.71073","MoKα","","0.0727","0.0584","","","0.1661","0.182","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","176467","2020-10-21","18:00:00",""
"4029697","13.426","0.002","10.1901","0.0018","16.699","0.003","90","","106.72","0.005","90","","2188","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 N6 O4 Pd -","- C46 H56 N6 O4 Pd -","- C92 H112 N12 O8 Pd2 -","2","0.5","","Shaik, Jeelani Basha; Ramkumar, Venkatachalam; Varghese, Babu; Sankararaman, Sethuraman","Synthesis and structure of trans-bis(1,4-dimesityl-3-methyl-1,2,3-triazol-5-ylidene)palladium(II) dichloride and diacetate. Suzuki-Miyaura coupling of polybromoarenes with high catalytic turnover efficiencies.","Beilstein journal of organic chemistry","2013","9","","698","704","10.3762/bjoc.9.79","","","0.71073","MoKα","","0.0882","0.0417","","","0.084","0.1014","","","","","","0.999","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029698","14.7337","0.0004","14.7337","0.0004","43.098","0.003","90","","90","","90","","9355.8","0.7","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C46 H56 Cl2 N8 Pd -","- C46 H50 Cl2 N8 Pd -","- C368 H400 Cl16 N64 Pd8 -","8","0.25","","Shaik, Jeelani Basha; Ramkumar, Venkatachalam; Varghese, Babu; Sankararaman, Sethuraman","Synthesis and structure of trans-bis(1,4-dimesityl-3-methyl-1,2,3-triazol-5-ylidene)palladium(II) dichloride and diacetate. Suzuki-Miyaura coupling of polybromoarenes with high catalytic turnover efficiencies.","Beilstein journal of organic chemistry","2013","9","","698","704","10.3762/bjoc.9.79","","","0.71073","MoKα","","0.0762","0.0599","","","0.1366","0.1459","","","","","","1.329","","","","has coordinates,has disorder","178475","2020-10-21","18:00:00",""
"4029699","10.1246","0.0014","9.0703","0.0011","22.641","0.004","90","","92.224","0.012","90","","2077.6","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O S -","- C27 H22 N2 O S -","- C108 H88 N8 O4 S4 -","4","1","","Kumar, Sandeep; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Tandon, Vishnu K.; Ram, Vishnu Ji","Direct alkenylation of indolin-2-ones by 6-aryl-4-methylthio-2H-pyran-2-one-3-carbonitriles: a novel approach.","Beilstein journal of organic chemistry","2013","9","","809","817","10.3762/bjoc.9.92","","","0.71073","MoKα","","0.1373","0.0994","","","0.246","0.2727","","","","","","1.053","","","","has coordinates","178475","2020-10-21","18:00:00",""
"4029700","19.5001","0.0009","8.4923","0.0003","22.8927","0.0008","90","","92.088","0.003","90","","3788.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 N4 O3 S3 -","- C42 H38 N4 O3 S3 -","- C168 H152 N16 O12 S12 -","4","1","","Kumar, Sandeep; Pratap, Ramendra; Kumar, Abhinav; Kumar, Brijesh; Tandon, Vishnu K.; Ram, Vishnu Ji","Direct alkenylation of indolin-2-ones by 6-aryl-4-methylthio-2H-pyran-2-one-3-carbonitriles: a novel approach.","Beilstein journal of organic chemistry","2013","9","","809","817","10.3762/bjoc.9.92","","","0.71073","MoKα","","0.1048","0.0797","","","0.1919","0.2065","","","","","","1.107","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029701","11.342","0.0005","18.0868","0.0007","7.672","0.0003","90","","95.47","0.001","90","","1566.67","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 Cl2 N6 O2 Pd -","- C28 H46 Cl2 N6 O2 Pd -","- C56 H92 Cl4 N12 O4 Pd2 -","2","0.5","","Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio","Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.","Beilstein journal of organic chemistry","2013","9","","1455","1462","10.3762/bjoc.9.165","","","0.71073","MoKα","","0.0271","0.0239","","","0.0627","0.0641","","","","","","1.06","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029702","11.2008","0.0003","13.5909","0.0004","11.5265","0.0004","90","","111.563","0.001","90","","1631.86","0.09","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 Cl2 N6 O4 Pd -","- C28 H42 Cl2 N6 O4 Pd -","- C56 H84 Cl4 N12 O8 Pd2 -","2","0.5","","Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio","Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.","Beilstein journal of organic chemistry","2013","9","","1455","1462","10.3762/bjoc.9.165","","","0.71073","MoKα","","0.0307","0.0261","","","0.0796","0.0822","","","","","","1.081","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029703","24.09","0.0011","11.4512","0.0005","20.3122","0.0008","90","","114.671","0.001","90","","5091.8","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 Cl2 F2 I2 N6 Pd -","- C26 H38 Cl2 F2 I2 N6 Pd -","- C156 H228 Cl12 F12 I12 N36 Pd6 -","6","1.5","","Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio","Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.","Beilstein journal of organic chemistry","2013","9","","1455","1462","10.3762/bjoc.9.165","","","0.71073","MoKα","","0.0675","0.0452","","","0.1072","0.116","","","","","","1.071","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029704","12.9","0.007","13.63","0.007","8.531","0.004","90","","90.176","0.016","90","","1500","1.3","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H23 N3 O -","- C14 H23 N3 O -","- C56 H92 N12 O4 -","4","1","","Grirrane, Abdessamad; Garcia, Hermenegildo; Alvarez, Eleuterio","Isolation and X-ray characterization of palladium-N complexes in the guanylation of aromatic amines. Mechanistic implications.","Beilstein journal of organic chemistry","2013","9","","1455","1462","10.3762/bjoc.9.165","","","0.71073","MoKα","","0.0805","0.0681","","","0.1352","0.187","","","","","","1.015","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029705","9.3945","0.0016","11.3837","0.0019","18.54","0.003","83.241","0.004","79.382","0.004","67.287","0.003","1795.3","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H46 O S3 -","- C41 H46 O S3 -","- C82 H92 O2 S6 -","2","1","","Zhong, Hao; Shi, Jianwu; Kang, Jianxun; Wang, Shaomin; Liu, Xinming; Wang, Hua","Ring-opening reaction of 2,5-dioctyldithieno[2,3-b:3',2'-d]thiophene in the presence of aryllithium reagents.","Beilstein journal of organic chemistry","2013","9","","767","774","10.3762/bjoc.9.87","","","0.71073","MoKα","","0.2076","0.0805","","","0.1802","0.2037","","","","","","1.063","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029706","25.9277","0.0015","7.9561","0.0006","13.1658","0.0007","90","","120.28","0.006","90","","2345.4","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C112 H112 N32 -","8","1","","Sell, Hanno; Näther, Christian; Herges, Rainer","Amino-substituted diazocines as pincer-type photochromic switches.","Beilstein journal of organic chemistry","2013","9","","1","7","10.3762/bjoc.9.1","","","0.71073","MoKα","","0.0603","0.041","","","0.0962","0.1039","","","","","","1.038","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029707","5.1513","0.0007","25.835","0.003","6.7094","0.001","90","","99.501","0.017","90","","880.7","0.2","200","2","200","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C16 H20 N4 O2 -","- C18 H22 N4 O4 -","- C36 H44 N8 O8 -","2","0.5","","Sell, Hanno; Näther, Christian; Herges, Rainer","Amino-substituted diazocines as pincer-type photochromic switches.","Beilstein journal of organic chemistry","2013","9","","1","7","10.3762/bjoc.9.1","","","0.71073","MoKα","","0.0864","0.0571","","","0.1046","0.1155","","","","","","1.024","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029708","8.604","0.002","29.351","0.008","9.698","0.003","90","","90.108","0.004","90","","2449.1","1.2","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 Br N2 O7 -","- C25 H27 Br N2 O7 -","- C100 H108 Br4 N8 O28 -","4","2","","Peng, Jiahuan; Du, Da-Ming","Catalytic asymmetric tandem Friedel-Crafts alkylation/Michael addition reaction for the synthesis of highly functionalized chromans.","Beilstein journal of organic chemistry","2013","9","","1210","1216","10.3762/bjoc.9.137","","","0.71073","MoKα","","0.0657","0.0499","","","0.0988","0.1047","","","","","","1.004","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4029709","6.471","0.005","12.191","0.008","43.2","0.03","90","","90","","90","","3408","4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H45 N O4 S Si3 -","- C30 H45 N O4 S Si3 -","- C120 H180 N4 O16 S4 Si12 -","4","1","","Miyazaki, Koichiro; Yamane, Yu; Yo, Ryuichiro; Uno, Hidemitsu; Kamimura, Akio","Preparation of optically active bicyclodihydrosiloles by a radical cascade reaction.","Beilstein journal of organic chemistry","2013","9","","1326","1332","10.3762/bjoc.9.149","","","0.71075","MoKα","","0.0805","0.0678","","","0.131","0.1399","","","","","","1.087","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029710","5.958","0.0011","14.455","0.003","20.381","0.004","90","","92.069","0.002","90","","1754.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(3SR,4RS)-3-(benzyloxy)-4-(pentafluorosulfanylmethyl)- -1-(4-methoxyphenyl)azetidin-2-one","","- C18 H18 F5 N O3 S -","- C18 H18 F5 N O3 S -","- C72 H72 F20 N4 O12 S4 -","4","1","","Penger, Alexander; von Hahmann, Cortney N.; Filatov, Alexander S.; Welch, John T.","Diastereoselectivity in the Staudinger reaction of pentafluorosulfanylaldimines and ketimines.","Beilstein journal of organic chemistry","2013","9","","2675","2680","10.3762/bjoc.9.303","","","0.71073","Mo-Kα","","0.0352","0.0322","","","0.0867","0.0898","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029711","6.809","0.007","10.145","0.01","14.616","0.015","93.168","0.013","95.116","0.014","97.126","0.013","995.6","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(3SR,4RS)-3-(benzyloxy)-4-((1SR)-pentafluorosulfanyl-propyl)- -1-(4-methoxyphenyl)azetidin-2-one","","- C20 H22 F5 N O3 S -","- C20 H22 F5 N O3 S -","- C40 H44 F10 N2 O6 S2 -","2","1","","Penger, Alexander; von Hahmann, Cortney N.; Filatov, Alexander S.; Welch, John T.","Diastereoselectivity in the Staudinger reaction of pentafluorosulfanylaldimines and ketimines.","Beilstein journal of organic chemistry","2013","9","","2675","2680","10.3762/bjoc.9.303","","","0.71073","Mo-Kα","","0.2002","0.1262","","","0.2922","0.3241","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4031305","6.94329","0.00033","7.22572","0.00034","7.40473","0.00031","88.5586","0.0016","75.3464","0.0018","111.687","0.0013","331.05","0.03","300","","300","","","","","","","","","6","P -1","-P 1","2","","Catena-bis(2-thiobarbiturato-O,S)-diaqua-cadmium","","- C8 H6 Cd N4 O6 S2 -","- C8 H6 Cd N4 O6 S2 -","- C8 H6 Cd N4 O6 S2 -","1","0.5","","Golovnev, Nikolay; Molokeev, Maxim","Crystal structure of catena-Bis(2-thiobarbiturato-O,S)diaquacadmium","Russian Journal of Inorganic Chemistry","2013","58","10","1193","","10.1134/S0036023613100094","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.387","","","","2.578","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"4033570","8.6817","0.0006","11.5495","0.0006","13.8579","0.0006","106.72","0.005","104.256","0.004","97.837","0.006","1257.25","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Cl2 N10 O7 Pd2 -","- C16 H20 Cl2 N10 O7 Pd2 -","- C32 H40 Cl4 N20 O14 Pd4 -","2","1","","Illán-Cabeza, Nuria A; García-García, Antonio R; Martínez-Martos, José M; Ramírez-Expósito, María J; Moreno-Carretero, Miguel N","Antiproliferative effects of palladium(II) complexes of 5-nitrosopyrimidines and interactions with the proteolytic regulatory enzymes of the renin-angiotensin system in tumoral brain cells.","Journal of inorganic biochemistry","2013","126","","118","127","10.1016/j.jinorgbio.2013.06.005","","","0.71073","MoKα","","0.0904","0.0528","","","0.1218","0.1502","","","","","","1.072","","","","has coordinates","207915","2020-10-21","18:00:00",""
"4033571","7.7776","0.0005","19.1139","0.0007","8.4291","0.0007","90","","116.26","0.007","90","","1123.75","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Cl N5 O3 Pd -","- C7 H8 Cl N5 O3 Pd -","- C28 H32 Cl4 N20 O12 Pd4 -","4","1","","Illán-Cabeza, Nuria A; García-García, Antonio R; Martínez-Martos, José M; Ramírez-Expósito, María J; Moreno-Carretero, Miguel N","Antiproliferative effects of palladium(II) complexes of 5-nitrosopyrimidines and interactions with the proteolytic regulatory enzymes of the renin-angiotensin system in tumoral brain cells.","Journal of inorganic biochemistry","2013","126","","118","127","10.1016/j.jinorgbio.2013.06.005","","","0.71073","MoKα","","0.0449","0.0369","","","0.0898","0.096","","","","","","1.215","","","","has coordinates","207916","2020-10-21","18:00:00",""
"4079773","10.149","0.003","40.372","0.012","12.504","0.004","90","","111.751","0.003","90","","4759","3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H70 N3 P Si2 -","- C50 H70 N3 P Si2 -","- C200 H280 N12 P4 Si8 -","4","1","","Cui, Haiyan; Zhang, Jianying; Cui, Chunming","2-Hydro-2-aminophosphasilene with N‒Si‒P π Conjugation","Organometallics","2013","32","1","1","","10.1021/om3008184","","","0.71073","MoKα","","0.0463","0.0411","","","0.1129","0.1173","","","","","","1.026","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079774","21.048","0.004","11.345","0.002","16.46","0.003","90","","108.619","0.002","90","","3724.8","1.2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H52 N P Si2 -","- C39 H52 N P Si2 -","- C156 H208 N4 P4 Si8 -","4","1","","Cui, Haiyan; Zhang, Jianying; Cui, Chunming","2-Hydro-2-aminophosphasilene with N‒Si‒P π Conjugation","Organometallics","2013","32","1","1","","10.1021/om3008184","","","0.71073","MoKα","","0.0571","0.0459","","","0.1121","0.118","","","","","","1.074","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079775","10.606","0.003","11.48","0.003","17.31","0.005","81.417","0.005","83.86","0.005","74.76","0.005","2005.6","1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Co F2 P -","- C24 H20 Co F2 P -","- C96 H80 Co4 F8 P4 -","4","2","","Daniel J. Harrison; Serge I. Gorelsky; Graham M. Lee; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbene Complexes","Organometallics","2013","32","1","12","15","10.1021/om3010959","","","0.71073","MoKα","","0.0312","0.0256","","","0.0739","0.0794","","","","","","0.868","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079776","9.345","0.002","10.057","0.002","14.781","0.004","104.035","0.008","91.034","0.008","114.257","0.008","1217.8","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28.5 H24 Co F4 P -","- C28.5 H24 Co F4 P -","- C57 H48 Co2 F8 P2 -","2","1","","Daniel J. Harrison; Serge I. Gorelsky; Graham M. Lee; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbene Complexes","Organometallics","2013","32","1","12","15","10.1021/om3010959","","","0.71073","MoKα","","0.057","0.0504","","","0.1433","0.1493","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079777","10.5783","0.0004","11.4862","0.0005","17.2907","0.0007","81.329","0.002","83.879","0.002","74.97","0.002","2000.81","0.14","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.91 H41 Co2 F3.83 I0.09 P2 -","- C47.91 H41 Co2 F3.82 I0.09 P2 -","- C95.82 H82 Co4 F7.64 I0.18 P4 -","2","1","","Daniel J. Harrison; Serge I. Gorelsky; Graham M. Lee; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbene Complexes","Organometallics","2013","32","1","12","15","10.1021/om3010959","","","0.71073","MoKα","","0.0385","0.0288","","","0.077","0.0831","","","","","","1.018","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079778","24.6463","0.0009","7.9461","0.0002","17.3073","0.0007","90","","118.825","0.002","90","","2969.52","0.19","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 P -","- C20 H15 P -","- C160 H120 P8 -","8","1","","Lyaskovskyy, Volodymyr; van Dijk-Moes, Relinde J. A.; Burck, Sebastian; Dzik, Wojciech I.; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris; de Bruin, Bas; Lammertsma, Koop","Dibenzo[b,f]phosphepines: Novel Phosphane‒Olefin Ligands for Transition Metals","Organometallics","2013","32","2","363","","10.1021/om301012z","","","0.71073","MoKα","","0.0441","0.0325","","","0.0783","0.0852","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079779","15.66085","0.00011","7.84372","0.00012","28.7165","0.0005","90","","90","","90","","3527.52","0.09","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H21 P -","- C23 H21 P -","- C184 H168 P8 -","8","2","","Lyaskovskyy, Volodymyr; van Dijk-Moes, Relinde J. A.; Burck, Sebastian; Dzik, Wojciech I.; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris; de Bruin, Bas; Lammertsma, Koop","Dibenzo[b,f]phosphepines: Novel Phosphane‒Olefin Ligands for Transition Metals","Organometallics","2013","32","2","363","","10.1021/om301012z","","","0.71073","MoKα","","0.0373","0.0315","","","0.0797","0.0833","","","","","","1.053","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079780","30.616","0.002","10.2843","0.0005","21.7045","0.0013","90","","92.312","0.004","90","","6828.4","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H86 Na4 O7 P2 -","- C68 H86 Na4 O7 P2 -","- C272 H344 Na16 O28 P8 -","4","0.5","","Lyaskovskyy, Volodymyr; van Dijk-Moes, Relinde J. A.; Burck, Sebastian; Dzik, Wojciech I.; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris; de Bruin, Bas; Lammertsma, Koop","Dibenzo[b,f]phosphepines: Novel Phosphane‒Olefin Ligands for Transition Metals","Organometallics","2013","32","2","363","","10.1021/om301012z","","","0.71073","MoKα","","0.0676","0.0491","","","0.1295","0.1384","","","","","","1.055","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079781","11.6114","0.0004","20.7582","0.0008","22.5567","0.0009","102.57","0.002","97.034","0.002","92.218","0.002","5254.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H45 F3 O3 P3 Rh S -","- C61 H45 F3 O3 P3 Rh S -","- C244 H180 F12 O12 P12 Rh4 S4 -","4","2","","Lyaskovskyy, Volodymyr; van Dijk-Moes, Relinde J. A.; Burck, Sebastian; Dzik, Wojciech I.; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris; de Bruin, Bas; Lammertsma, Koop","Dibenzo[b,f]phosphepines: Novel Phosphane‒Olefin Ligands for Transition Metals","Organometallics","2013","32","2","363","","10.1021/om301012z","","","0.71073","MoKα","","0.0972","0.052","","","0.1112","0.1227","","","","","","0.958","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079782","12.2103","0.0005","23.0846","0.0009","16.4554","0.0006","90","","104.913","0.0018","90","","4482","0.3","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H45 Cl3 F3 O3 P2 Rh S -","- C48.5 H45 Cl3 F3 O3 P2 Rh S -","- C194 H180 Cl12 F12 O12 P8 Rh4 S4 -","4","1","","Lyaskovskyy, Volodymyr; van Dijk-Moes, Relinde J. A.; Burck, Sebastian; Dzik, Wojciech I.; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris; de Bruin, Bas; Lammertsma, Koop","Dibenzo[b,f]phosphepines: Novel Phosphane‒Olefin Ligands for Transition Metals","Organometallics","2013","32","2","363","","10.1021/om301012z","","","0.71073","MoKα","","0.0323","0.0284","","","0.069","0.0725","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079783","11.969","0.0005","7.656","0.0006","17.9709","0.001","90","","101.792","0.004","90","","1612","0.17","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 B8 Fe -","- C14 H20 B8 Fe -","- C56 H80 B32 Fe4 -","4","1","","Bakardjiev, Mario; Štíbr, Bohumil; Holub, Josef; Grüner, Bohumír; Padělková, Zdeňka; Růžička, Aleš","Three Isomers of Aryl-Substituted Twelve-Vertex Ferratricarbollides","Organometallics","2013","32","2","377","","10.1021/om3011118","","","0.71073","MoKα","","0.0561","0.0359","","","0.0772","0.0896","","","","","","1.104","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079784","9.083","0.0008","11.142","0.0008","17.8301","0.001","90","","95.857","0.007","90","","1795","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 B8 Fe -","- C18 H22 B8 Fe -","- C72 H88 B32 Fe4 -","4","1","","Bakardjiev, Mario; Štíbr, Bohumil; Holub, Josef; Grüner, Bohumír; Padělková, Zdeňka; Růžička, Aleš","Three Isomers of Aryl-Substituted Twelve-Vertex Ferratricarbollides","Organometallics","2013","32","2","377","","10.1021/om3011118","","","0.71073","MoKα","","0.0607","0.0394","","","0.0779","0.0891","","","","","","1.102","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079785","9.81","0.0006","14.4851","0.0009","15.764","0.0009","90","","126.405","0.005","90","","1802.9","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 B8 Fe -","- C18 H22 B8 Fe -","- C72 H88 B32 Fe4 -","4","1","","Bakardjiev, Mario; Štíbr, Bohumil; Holub, Josef; Grüner, Bohumír; Padělková, Zdeňka; Růžička, Aleš","Three Isomers of Aryl-Substituted Twelve-Vertex Ferratricarbollides","Organometallics","2013","32","2","377","","10.1021/om3011118","","","0.71073","MoKα","","0.0424","0.0322","","","0.0739","0.0811","","","","","","1.098","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079786","15.2722","0.0006","15.7319","0.0006","16.6232","0.0006","65.227","0.004","86.256","0.003","69.667","0.004","3385.2","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C106 H140 Ag4 F24 N16 O16 Pt4 Si8 -","- C106 H140 Ag4 F24 N16 O16 Pt4 Si8 -","- C106 H140 Ag4 F24 N16 O16 Pt4 Si8 -","1","0.5","","Zhang, Xiaofei; Cao, Bei; Valente, Edward J.; Hollis, T. Keith","Synthesis, Characterization, Photoluminescence, and Simulations of a CCC-NHC-Supported Pt2Ag2Mixed-Metal Cluster Containing a PtAg2Metallacyclopropane","Organometallics","2013","32","3","752","","10.1021/om300330y","","","0.71073","MoKα","","0.057","0.0308","","","0.0491","0.0508","","","","","","1.008","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079787","6.6502","0.0012","20.061","0.004","20.159","0.004","90","","93.427","0.007","90","","2684.6","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 F3 N4 O2 Pt Si2 -","- C21.949 H29 F2.9991 N4 O2 Pt Si2 -","- C87.796 H116 F11.9964 N16 O8 Pt4 Si8 -","4","1","","Zhang, Xiaofei; Cao, Bei; Valente, Edward J.; Hollis, T. Keith","Synthesis, Characterization, Photoluminescence, and Simulations of a CCC-NHC-Supported Pt2Ag2Mixed-Metal Cluster Containing a PtAg2Metallacyclopropane","Organometallics","2013","32","3","752","","10.1021/om300330y","","","0.71075","MoKα","","0.062","0.0395","","","0.0621","0.0684","","","","","","1.032","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079788","6.2984","0.0002","19.4917","0.0006","19.4312","0.0007","90","","91.865","0.003","90","","2384.24","0.14","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H29 Cl N4 Pt Si2 -","- C20 H29 Cl N4 Pt Si2 -","- C80 H116 Cl4 N16 Pt4 Si8 -","4","0.5","","Zhang, Xiaofei; Cao, Bei; Valente, Edward J.; Hollis, T. Keith","Synthesis, Characterization, Photoluminescence, and Simulations of a CCC-NHC-Supported Pt2Ag2Mixed-Metal Cluster Containing a PtAg2Metallacyclopropane","Organometallics","2013","32","3","752","","10.1021/om300330y","","","0.71073","MoKα","","0.029","0.0208","","","0.0379","0.0385","","","","","","0.999","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079789","6.6479","0.0013","12.825","0.003","16.735","0.003","107.92","0.03","90.17","0.03","101.7","0.03","1326.1","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H44 Si6 -","- C16 H44 Si6 -","- C32 H88 Si12 -","2","1","","Wallner, Andreas; Emanuelsson, Rikard; Baumgartner, Judith; Marschner, Christoph; Ottosson, Henrik","Coupling of Disilane and Trisilane Segments Through Zero, One, Two, and Three Disilanyl Bridges in Cyclic and Bicyclic Saturated Carbosilanes","Organometallics","2013","32","2","396","","10.1021/om3006678","","","0.71073","MoKα","","0.0575","0.0486","","","0.1209","0.1253","","","","","","1.057","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079790","10.954","0.002","12.75","0.003","20.977","0.004","90","","90","","90","","2929.7","1","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C16 H46 Si8 -","- C16 H46 Si8 -","- C64 H184 Si32 -","4","0.5","","Wallner, Andreas; Emanuelsson, Rikard; Baumgartner, Judith; Marschner, Christoph; Ottosson, Henrik","Coupling of Disilane and Trisilane Segments Through Zero, One, Two, and Three Disilanyl Bridges in Cyclic and Bicyclic Saturated Carbosilanes","Organometallics","2013","32","2","396","","10.1021/om3006678","","","0.71073","MoKα","","0.0308","0.0288","","","0.0749","0.0761","","","","","","1.111","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079791","9.2189","0.0018","30.807","0.006","12.014","0.002","90","","101.35","0.03","90","","3345.3","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H52 Si8 -","- C18 H52 Si8 -","- C72 H208 Si32 -","4","1","","Wallner, Andreas; Emanuelsson, Rikard; Baumgartner, Judith; Marschner, Christoph; Ottosson, Henrik","Coupling of Disilane and Trisilane Segments Through Zero, One, Two, and Three Disilanyl Bridges in Cyclic and Bicyclic Saturated Carbosilanes","Organometallics","2013","32","2","396","","10.1021/om3006678","","","0.71073","MoKα","","0.0412","0.0376","","","0.0919","0.0938","","","","","","1.107","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079792","13.78","0.0005","14.2055","0.0004","14.6125","0.0004","87.5","0.002","63.353","0.003","89.057","0.003","2554.16","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Cu F5 Ge N2 -","- C50 H54 Cu F5 Ge N2 -","- C100 H108 Cu2 F10 Ge2 N4 -","2","1","","Zhao, Na; Zhang, Jinyuan; Yang, Ying; Chen, Guifang; Zhu, Hongping; Roesky, Herbert W.","Reactivity Studies of (Phenylethynyl)germylene LGeC≡CPh (L = HC[C(Me)N-2,6-iPr2C6H3]2) toward Pentafluorophenylcopper(I), -silver(I), and -gold(I) Complexes","Organometallics","2013","32","3","762","","10.1021/om300724t","","","0.71073","MoKα","","0.0688","0.0534","","","0.1669","0.1741","","","","","","1.012","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079793","16.168","0.003","18.229","0.004","20.352","0.004","69.12","0.03","69.51","0.03","64.43","0.03","4917","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H108 Ag2 F10 Ge2 N4 -","- C100 H108 Ag2 F10 Ge2 N4 -","- C200 H216 Ag4 F20 Ge4 N8 -","2","1","","Zhao, Na; Zhang, Jinyuan; Yang, Ying; Chen, Guifang; Zhu, Hongping; Roesky, Herbert W.","Reactivity Studies of (Phenylethynyl)germylene LGeC≡CPh (L = HC[C(Me)N-2,6-iPr2C6H3]2) toward Pentafluorophenylcopper(I), -silver(I), and -gold(I) Complexes","Organometallics","2013","32","3","762","","10.1021/om300724t","","","0.71073","MoKα","","0.1128","0.0621","","","0.1701","0.2146","","","","","","1.082","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079794","13.7034","0.0007","41.483","0.003","16.3531","0.001","90","","101.571","0.006","90","","9107.1","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96.5 H104 Au2 F10 Ge2 N4 -","- C96.5 H100 Au2 F10 Ge2 N4 -","- C386 H400 Au8 F40 Ge8 N16 -","4","1","","Zhao, Na; Zhang, Jinyuan; Yang, Ying; Chen, Guifang; Zhu, Hongping; Roesky, Herbert W.","Reactivity Studies of (Phenylethynyl)germylene LGeC≡CPh (L = HC[C(Me)N-2,6-iPr2C6H3]2) toward Pentafluorophenylcopper(I), -silver(I), and -gold(I) Complexes","Organometallics","2013","32","3","762","","10.1021/om300724t","","","0.71073","MoKα","","0.0841","0.0469","","","0.0721","0.083","","","","","","0.937","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079795","12.1485","0.0006","14.5308","0.0005","15.7442","0.0008","71.045","0.004","69.256","0.005","70.946","0.004","2386.9","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C105 H100 Ag2 Cu2 F20 Ge2 N4 -","- C105 H92 Ag2 Cu2 F20 Ge2 N4 -","- C105 H92 Ag2 Cu2 F20 Ge2 N4 -","1","0.5","","Zhao, Na; Zhang, Jinyuan; Yang, Ying; Chen, Guifang; Zhu, Hongping; Roesky, Herbert W.","Reactivity Studies of (Phenylethynyl)germylene LGeC≡CPh (L = HC[C(Me)N-2,6-iPr2C6H3]2) toward Pentafluorophenylcopper(I), -silver(I), and -gold(I) Complexes","Organometallics","2013","32","3","762","","10.1021/om300724t","","","0.71073","MoKα","","0.089","0.0704","","","0.1792","0.1907","","","","","","1.058","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079796","14.3558","0.0002","23.155","0.0003","15.5012","0.0002","90","","104.119","0.001","90","","4997.07","0.12","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H50 Au Cu F10 Ge N2 -","- C52.5 H46 Au Cu F10 Ge N2 -","- C210 H184 Au4 Cu4 F40 Ge4 N8 -","4","1","","Zhao, Na; Zhang, Jinyuan; Yang, Ying; Chen, Guifang; Zhu, Hongping; Roesky, Herbert W.","Reactivity Studies of (Phenylethynyl)germylene LGeC≡CPh (L = HC[C(Me)N-2,6-iPr2C6H3]2) toward Pentafluorophenylcopper(I), -silver(I), and -gold(I) Complexes","Organometallics","2013","32","3","762","","10.1021/om300724t","","","0.71073","MoKα","","0.0463","0.0336","","","0.0672","0.0715","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079797","8.4719","0.0003","17.0771","0.0005","14.8339","0.0005","90","","103.558","0.002","90","","2086.3","0.12","100","","99.65","","","","","","","","","5","P 1 21 1","P 2yb","4","","UMCB0009_AH_I_201","","- C44 H54 I2 N4 Rh2 -","- C44 H54 I2 N4 Rh2 -","- C88 H108 I4 N8 Rh4 -","2","1","","Huckaba, Aron J.; Hollis, T. Keith; Howell, Tyler O.; Valle, Henry U.; Wu, Yunshan","Synthesis and Characterization of a 1,3-Phenylene-Bridged N-Alkyl Bis(benzimidazole) CCC-NHC Pincer Ligand Precursor: Homobimetallic Silver and Rhodium Complexes and the Catalytic Hydrosilylation of Phenylacetylene","Organometallics","2013","32","1","63","","10.1021/om3008037","","","1.54178","CuKα","","0.03473","0.03224","","","","0.081171","","","","","","1.01149","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079798","10.4183","0.0015","12.9358","0.0019","16.234","0.003","84.311","0.004","87.867","0.004","77.529","0.004","2125.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H48 K Mn2 O16 P -","- C35 H34 K Mn2 O16 P -","- C70 H68 K2 Mn4 O32 P2 -","2","1","","Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Virovets, Alexander V.; Scheer, Manfred","Transformation of a Phosphorus-Bound Cp* Moiety in the Coordination Sphere of Manganese Carbonyl Complexes","Organometallics","2013","32","3","770","","10.1021/om300808t","","","0.71073","MoKα","","0.1061","0.0655","","","0.1406","0.1594","","","","","","1.063","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4079799","18.947","0.004","12.731","0.003","16.313","0.003","90","","108.04","0.03","90","","3741.5","1.5","203","0.2","203","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Au Mn2 O9 P2 -","- C37 H29 Au Mn2 O9 P2 -","- C148 H116 Au4 Mn8 O36 P8 -","4","1","","Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Virovets, Alexander V.; Scheer, Manfred","Transformation of a Phosphorus-Bound Cp* Moiety in the Coordination Sphere of Manganese Carbonyl Complexes","Organometallics","2013","32","3","770","","10.1021/om300808t","","","0.71073","MoKα","","0.1442","0.0695","","","0.1229","0.1606","","","","","","1.145","","","","has coordinates","178686","2020-10-21","18:00:00",""
"4079800","17.8402","0.0007","13.3456","0.0005","15.4664","0.0006","90","","93.938","0.001","90","","3673.7","0.2","200","1","200","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 Au Mn2 O8 P2 -","- C36 H31 Au Mn2 O8 P2 -","- C144 H124 Au4 Mn8 O32 P8 -","4","1","","Pushkarevsky, Nikolay A.; Konchenko, Sergey N.; Virovets, Alexander V.; Scheer, Manfred","Transformation of a Phosphorus-Bound Cp* Moiety in the Coordination Sphere of Manganese Carbonyl Complexes","Organometallics","2013","32","3","770","","10.1021/om300808t","","","0.71073","MoKα","","0.0365","0.0282","","","0.0577","0.0603","","","","","","0.972","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079801","11.9302","0.0013","20.768","0.002","13.017","0.0013","90","","93.9015","0.0018","90","","3217.7","0.6","123.1","","123.1","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 F6 N3 Ni O6 Ru S4 -","- C23 H37 F6 N3 Ni O6 Ru S4 -","- C92 H148 F24 N12 Ni4 O24 Ru4 S16 -","4","1","","Kim, Kyoungmok; Kishima, Takahiro; Matsumoto, Takahiro; Nakai, Hidetaka; Ogo, Seiji","Selective Redox Activation of H2or O2in a [NiRu] Complex by Aromatic Ligand Effects","Organometallics","2013","32","1","79","","10.1021/om300833m","","","0.7107","MoKα","","","0.0336","","","","0.102","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079802","11.732","0.004","13.504","0.005","13.574","0.004","101.873","0.005","92.075","0.003","111.617","0.003","1941.6","1.1","123.1","","123.1","","","","","","","","","9","P -1","-P 1","2","","","","- C25 H39 F9 N3 Na Ni O9 Ru S5 -","- C25 H40 F9 N3 Na Ni O9 Ru S5 -","- C50 H80 F18 N6 Na2 Ni2 O18 Ru2 S10 -","2","1","","Kim, Kyoungmok; Kishima, Takahiro; Matsumoto, Takahiro; Nakai, Hidetaka; Ogo, Seiji","Selective Redox Activation of H2or O2in a [NiRu] Complex by Aromatic Ligand Effects","Organometallics","2013","32","1","79","","10.1021/om300833m","","","0.7107","MoKα","","","0.0458","","","","0.0918","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079803","29.741","0.002","29.741","0.002","5.8917","0.0005","90","","90","","90","","5211.4","0.7","100","2","100","2","","","","","","","","6","P 42","P 4c","77","","","","- C31.25 H25.5 Cl0.5 Fe2 N O4 -","- C31.25 H25.5 Cl0.5 Fe2 N O4 -","- C250 H204 Cl4 Fe16 N8 O32 -","8","2","","Raja, Muthukrishna; Iyer, Ratnasabapathy G.; Gwengo, Chengeto; Reger, Daniel L.; Pellechia, Perry J.; Smith, Mark D.; Pascui, Andrea E.","Design, Synthesis, and Structural Characterization of a New Class of Ferrocene-Containing Heterometallic Triple-Stranded Helicates","Organometallics","2013","32","1","95","","10.1021/om300843r","","","1.54178","CuKα","","0.0744","0.0572","","","0.1337","0.1425","","","","","","1.085","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079804","68.226","0.005","68.226","0.005","12.7521","0.0018","90","","90","","120","","51406","9","100","2","100","2","","","","","","","","7","R -3","-R 3","148","","","","- C101.36 H87.69 Cl6.39 Fe6 Ga2 N3 O13.56 -","- C101.355 H70 Cl6.393 Fe6 Ga2 N3 O13.556 -","- C1824.39 H1260 Cl115.074 Fe108 Ga36 N54 O244.008 -","18","","","Raja, Muthukrishna; Iyer, Ratnasabapathy G.; Gwengo, Chengeto; Reger, Daniel L.; Pellechia, Perry J.; Smith, Mark D.; Pascui, Andrea E.","Design, Synthesis, and Structural Characterization of a New Class of Ferrocene-Containing Heterometallic Triple-Stranded Helicates","Organometallics","2013","32","1","95","","10.1021/om300843r","","","0.71073","MoKα","","0.1363","0.0627","","","0.1578","0.1758","","","","","","0.85","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079805","67.44","0.002","67.44","0.002","12.8588","0.0009","90","","90","","120","","50648","4","100","2","100","2","","","","","","","","7","R -3","-R 3","148","","","","- C107.61 H103.36 Cl4.33 Fe6 In2 N3 O15.29 -","- C107.613 H87.837 Cl4.335 Fe6 In2 N3 O15.292 -","- C1937.03 H1581.07 Cl78.03 Fe108 In36 N54 O275.256 -","18","","","Raja, Muthukrishna; Iyer, Ratnasabapathy G.; Gwengo, Chengeto; Reger, Daniel L.; Pellechia, Perry J.; Smith, Mark D.; Pascui, Andrea E.","Design, Synthesis, and Structural Characterization of a New Class of Ferrocene-Containing Heterometallic Triple-Stranded Helicates","Organometallics","2013","32","1","95","","10.1021/om300843r","","","0.71073","MoKα","","0.1198","0.0701","","","0.1704","0.1906","","","","","","0.937","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079806","19.332","0.007","17.846","0.007","30.979","0.011","90","","94.366","0.011","90","","10657","7","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C114 H104 Cl3 F6 Fe6 Ga2 N7 O18 S2 -","- C114 H104 Cl3 F6 Fe6 Ga2 N7 O18 S2 -","- C456 H416 Cl12 F24 Fe24 Ga8 N28 O72 S8 -","4","0.5","","Raja, Muthukrishna; Iyer, Ratnasabapathy G.; Gwengo, Chengeto; Reger, Daniel L.; Pellechia, Perry J.; Smith, Mark D.; Pascui, Andrea E.","Design, Synthesis, and Structural Characterization of a New Class of Ferrocene-Containing Heterometallic Triple-Stranded Helicates","Organometallics","2013","32","1","95","","10.1021/om300843r","","","0.71073","MoKα","","0.1077","0.0581","","","0.1194","0.1354","","","","","","0.912","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079807","19.2023","0.0011","17.9718","0.0009","31.0005","0.0015","90","","94.224","0.004","90","","10669.2","1","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C114 H104 Cl3 F6 Fe6 In2 N7 O18 S2 -","- C114 H104 Cl3 F6 Fe6 In2 N7 O18 S2 -","- C456 H416 Cl12 F24 Fe24 In8 N28 O72 S8 -","4","0.5","","Raja, Muthukrishna; Iyer, Ratnasabapathy G.; Gwengo, Chengeto; Reger, Daniel L.; Pellechia, Perry J.; Smith, Mark D.; Pascui, Andrea E.","Design, Synthesis, and Structural Characterization of a New Class of Ferrocene-Containing Heterometallic Triple-Stranded Helicates","Organometallics","2013","32","1","95","","10.1021/om300843r","","","0.71073","MoKα","","0.1531","0.0664","","","0.1492","0.207","","","","","","1.004","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079808","7.1932","0.001","15.768","0.002","14.609","0.002","90","","90.564","0.001","90","","1656.9","0.4","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Cl F6 P Ru S2 -","- C11 H18 Cl F6 P Ru S2 -","- C44 H72 Cl4 F24 P4 Ru4 S8 -","4","1","","Mori, Shotaro; Mochida, Tomoyuki","Organometallic Ionic Liquids from Cationic Arene‒Ruthenium Complexes","Organometallics","2013","32","3","780","","10.1021/om300847s","","","0.71073","MoKα","","0.019","0.018","","","0.0431","0.0436","","","","","","1.044","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079809","6.5081","0.001","14.387","0.002","23.301","0.004","90","","92.892","0.002","90","","2178.9","0.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Cl F6 N O4 Ru S4 -","- C13 H18 Cl F6 N O4 Ru S4 -","- C52 H72 Cl4 F24 N4 O16 Ru4 S16 -","4","1","","Mori, Shotaro; Mochida, Tomoyuki","Organometallic Ionic Liquids from Cationic Arene‒Ruthenium Complexes","Organometallics","2013","32","3","780","","10.1021/om300847s","","","0.71073","MoKα","","0.2014","0.0283","","","0.0672","0.0803","","","","","","1.01","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079810","17.58","0.002","19.872","0.003","13.1492","0.0016","90","","119.39","0.001","90","","4002.5","0.9","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H24 Cl F6 P Ru S2 -","- C14 H24 Cl F6 P Ru S2 -","- C112 H192 Cl8 F48 P8 Ru8 S16 -","8","1","","Mori, Shotaro; Mochida, Tomoyuki","Organometallic Ionic Liquids from Cationic Arene‒Ruthenium Complexes","Organometallics","2013","32","3","780","","10.1021/om300847s","","","0.71073","MoKα","","0.0233","0.0219","","","0.0548","0.0558","","","","","","1.074","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079811","8.3913","0.0013","23.193","0.004","10.4686","0.0017","90","","109.497","0.002","90","","1920.6","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H22 Cl F6 P Ru S2 -","- C13 H22 Cl F6 P Ru S2 -","- C52 H88 Cl4 F24 P4 Ru4 S8 -","4","1","","Mori, Shotaro; Mochida, Tomoyuki","Organometallic Ionic Liquids from Cationic Arene‒Ruthenium Complexes","Organometallics","2013","32","3","780","","10.1021/om300847s","","","0.71073","MoKα","","0.0249","0.0226","","","0.052","0.0531","","","","","","1.035","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079812","8.3713","0.0012","11.7297","0.0017","20.707","0.003","90","","91.798","0.002","90","","2032.3","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Cl F6 N2 P Ru -","- C16 H30 Cl F6 N2 P Ru -","- C64 H120 Cl4 F24 N8 P4 Ru4 -","4","1","","Mori, Shotaro; Mochida, Tomoyuki","Organometallic Ionic Liquids from Cationic Arene‒Ruthenium Complexes","Organometallics","2013","32","3","780","","10.1021/om300847s","","","0.71073","MoKα","","0.0252","0.0226","","","0.0485","0.049","","","","","","1.897","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079813","14.218","0.002","11.8945","0.0018","16.75","0.003","90","","92.585","0.002","90","","2829.8","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 F6 P Ru2 S3 -","- C23 H37 F6 P Ru2 S3 -","- C92 H148 F24 P4 Ru8 S12 -","4","1","","Mori, Shotaro; Mochida, Tomoyuki","Organometallic Ionic Liquids from Cationic Arene‒Ruthenium Complexes","Organometallics","2013","32","3","780","","10.1021/om300847s","","","0.71073","MoKα","","0.048","0.0467","","","0.1275","0.128","","","","","","1.342","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079814","6.362","0.004","13.419","0.005","16.041","0.007","90","","90","","90","","1369.4","1.2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Ga N O2 -","- C15 H14 Ga N O2 -","- C60 H56 Ga4 N4 O8 -","4","1","","Pal, Manoj K.; Kushwah, Nisha; Manna, Debashree; Wadawale, Amey; Sudarsan, V.; Ghanty, Tapan K.; Jain, Vimal K.","Diorgano-Gallium and -Indium Complexes Derived from Benzoazole Ligands: Synthesis, Characterization, Photoluminescence, and Computational Studies","Organometallics","2013","32","1","104","","10.1021/om300855x","","","0.71069","MoKα","","0.0648","0.0313","","","0.0683","0.08","","","","","","1.016","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079815","7.7032","0.0016","10","0.004","10.532","0.003","70.73","0.03","87.144","0.018","74.28","0.02","736.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H28 In2 N2 O2 S2 -","- C30 H28 In2 N2 O2 S2 -","- C30 H28 In2 N2 O2 S2 -","1","0.5","","Pal, Manoj K.; Kushwah, Nisha; Manna, Debashree; Wadawale, Amey; Sudarsan, V.; Ghanty, Tapan K.; Jain, Vimal K.","Diorgano-Gallium and -Indium Complexes Derived from Benzoazole Ligands: Synthesis, Characterization, Photoluminescence, and Computational Studies","Organometallics","2013","32","1","104","","10.1021/om300855x","","","0.71069","MoKα","","0.0408","0.0265","","","0.0611","0.0655","","","","","","1.031","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079816","61.674","0.004","12.8551","0.001","13.3812","0.0009","90","","90","","90","","10609","1.3","100","2","100","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C46.88 H53.75 Cl1.75 F12 N6 Ni O2 P2 Pd -","- C46.875 H53.75 Cl1.75 F12 N6 Ni O2 P2 Pd -","- C375 H430 Cl14 F96 N48 Ni8 O16 P16 Pd8 -","8","2","","Mechler, Melanie; Latendorf, Katja; Frey, Wolfgang; Peters, René","Homo- and Heterobimetallic Pd‒, Ag‒, and Ni‒Hybrid Salen‒Bis-NHC Complexes","Organometallics","2013","32","1","112","","10.1021/om3008629","","","1.54178","CuKα","","0.0961","0.0932","","","0.2229","0.2253","","","","","","1.059","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079817","8.0288","0.0006","12.0059","0.0009","13.8546","0.0011","87.051","0.003","81.659","0.003","76.564","0.003","1284.98","0.17","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Cl N8 O6 Re -","- C22 H22 Cl N8 O6 Re -","- C44 H44 Cl2 N16 O12 Re2 -","2","1","","Anderson, Christopher B.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","fac-Re(CO)3Cl Complexes of [2-(4-R-1H-1,2,3-Triazol-1-yl)methyl]pyridine Inverse “Click” Ligands: A Systematic Synthetic, Spectroscopic, and Computational Study","Organometallics","2013","32","3","788","","10.1021/om300868k","","","0.71073","MoKα","","0.0195","0.0184","","","0.047","0.0478","","","","","","1.171","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079818","7.449","0.002","8.163","0.0019","17.482","0.004","76.774","0.013","88.194","0.012","82.644","0.012","1026.3","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cl N4 O4 Re -","- C19 H18 Cl N4 O4 Re -","- C38 H36 Cl2 N8 O8 Re2 -","2","1","","Anderson, Christopher B.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","fac-Re(CO)3Cl Complexes of [2-(4-R-1H-1,2,3-Triazol-1-yl)methyl]pyridine Inverse “Click” Ligands: A Systematic Synthetic, Spectroscopic, and Computational Study","Organometallics","2013","32","3","788","","10.1021/om300868k","","","0.71073","MoKα","","0.0972","0.0689","","","0.1816","0.2126","","","","","","1.027","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079819","7.5568","0.0006","9.5664","0.0009","13.4313","0.0012","84.932","0.004","83.901","0.004","69.692","0.004","904.08","0.14","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C17.25 H13 Cl N4 O3.25 Re -","- C17.25 H13 Cl N4 O3.25 Re -","- C34.5 H26 Cl2 N8 O6.5 Re2 -","2","1","","Anderson, Christopher B.; Elliott, Anastasia B. S.; McAdam, C. John; Gordon, Keith C.; Crowley, James D.","fac-Re(CO)3Cl Complexes of [2-(4-R-1H-1,2,3-Triazol-1-yl)methyl]pyridine Inverse “Click” Ligands: A Systematic Synthetic, Spectroscopic, and Computational Study","Organometallics","2013","32","3","788","","10.1021/om300868k","","","0.71073","MoKα","","0.0377","0.0341","","","0.0921","0.1031","","","","","","1.135","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079820","8.3143","0.0003","11.8895","0.0004","16.8125","0.0006","96.725","0.001","98.574","0.001","107.545","0.002","1543.62","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H35 B Cl2 Ir N7 O -","- C29 H35 B Cl2 Ir N7 O -","- C58 H70 B2 Cl4 Ir2 N14 O2 -","2","1","","Cristóbal, Crispín; Álvarez, Eleuterio; Paneque, Margarita; Poveda, Manuel L.","Facile Oxygen Atom Insertion into Unactivated C(sp3)‒C(sp2) Single Bonds in Reactions of Iridium(III) Complexes with O2","Organometallics","2013","32","2","714","","10.1021/om300890d","","","0.71073","MoKα","","0.0474","0.0416","","","0.1052","0.1077","","","","","","1.223","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079821","9.7683","0.0019","16.1528","0.0019","21.538","0.004","90","","98.796","0.014","90","","3358.4","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 F7 Ir N6 O3 S -","- C29 H28 F7 Ir N6 O3 S -","- C116 H112 F28 Ir4 N24 O12 S4 -","4","1","","Shavaleev, Nail M.; Monti, Filippo; Scopelliti, Rosario; Baschieri, Andrea; Sambri, Letizia; Armaroli, Nicola; Grätzel, Michael; Nazeeruddin, Mohammad K.","Extreme Tuning of Redox and Optical Properties of Cationic Cyclometalated Iridium(III) Isocyanide Complexes","Organometallics","2013","32","2","460","","10.1021/om300894m","","","0.71073","MoKα","","0.0519","0.0317","","","0.0632","0.0722","","","","","","1.112","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079822","33.321","0.015","13.588","0.002","17.206","0.002","90","","106.519","0.014","90","","7469","4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H28 F7 Ir N6 O3 S -","- C37 H28 F7 Ir N6 O3 S -","- C296 H224 F56 Ir8 N48 O24 S8 -","8","1","","Shavaleev, Nail M.; Monti, Filippo; Scopelliti, Rosario; Baschieri, Andrea; Sambri, Letizia; Armaroli, Nicola; Grätzel, Michael; Nazeeruddin, Mohammad K.","Extreme Tuning of Redox and Optical Properties of Cationic Cyclometalated Iridium(III) Isocyanide Complexes","Organometallics","2013","32","2","460","","10.1021/om300894m","","","0.71073","MoKα","","0.0445","0.0272","","","0.0538","0.0626","","","","","","1.109","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079823","10.1725","0.0004","10.686","0.0004","15.0723","0.0005","74.768","0.001","74.714","0.001","79.968","0.001","1515.2","0.1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H34 Cl2 N2 O6 Pd -","- C31 H34 Cl2 N2 O6 Pd -","- C62 H68 Cl4 N4 O12 Pd2 -","2","1","","Hauwert, Peter; Dunsford, Jay J.; Tromp, Dorette S.; Weigand, Jan J.; Lutz, Martin; Cavell, Kingsley J.; Elsevier, Cornelis J.","Zerovalent [Pd(NHC)(Alkene)1,2] Complexes Bearing Expanded-Ring N-Heterocyclic Carbene Ligands in Transfer Hydrogenation of Alkynes","Organometallics","2013","32","1","131","","10.1021/om300930w","","","0.71073","MoKα","","0.0387","0.0335","","","0.0902","0.0933","","","","","","1.087","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079824","10.303","0.0005","13.6864","0.0006","17.109","0.0008","90","","90.143","0.001","90","","2412.55","0.19","153","2","153","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H24 N2 O6 Pd -","- C26 H24 N2 O6 Pd -","- C104 H96 N8 O24 Pd4 -","4","1","","Hauwert, Peter; Dunsford, Jay J.; Tromp, Dorette S.; Weigand, Jan J.; Lutz, Martin; Cavell, Kingsley J.; Elsevier, Cornelis J.","Zerovalent [Pd(NHC)(Alkene)1,2] Complexes Bearing Expanded-Ring N-Heterocyclic Carbene Ligands in Transfer Hydrogenation of Alkynes","Organometallics","2013","32","1","131","","10.1021/om300930w","","","0.71073","MoKα","","0.0502","0.0325","","","0.0785","0.086","","","","","","1.041","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079825","8.4199","0.0003","10.7383","0.0004","15.3555","0.0005","88.464","0.0008","89.7292","0.0008","79.8575","0.0008","1366.19","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.5 H28 N2 O6 Pd -","- C29.5 H28 N2 O6 Pd -","- C59 H56 N4 O12 Pd2 -","2","1","","Hauwert, Peter; Dunsford, Jay J.; Tromp, Dorette S.; Weigand, Jan J.; Lutz, Martin; Cavell, Kingsley J.; Elsevier, Cornelis J.","Zerovalent [Pd(NHC)(Alkene)1,2] Complexes Bearing Expanded-Ring N-Heterocyclic Carbene Ligands in Transfer Hydrogenation of Alkynes","Organometallics","2013","32","1","131","","10.1021/om300930w","","","0.71073","MoKα","","0.0228","0.0215","","","0.0577","0.0586","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079826","10.7917","0.0008","14.651","0.0011","19.1107","0.0014","90","","93.862","0.001","90","","3014.7","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 N2 O3 Pd -","- C33 H44 N2 O3 Pd -","- C132 H176 N8 O12 Pd4 -","4","1","","Hauwert, Peter; Dunsford, Jay J.; Tromp, Dorette S.; Weigand, Jan J.; Lutz, Martin; Cavell, Kingsley J.; Elsevier, Cornelis J.","Zerovalent [Pd(NHC)(Alkene)1,2] Complexes Bearing Expanded-Ring N-Heterocyclic Carbene Ligands in Transfer Hydrogenation of Alkynes","Organometallics","2013","32","1","131","","10.1021/om300930w","","","0.71073","MoKα","","0.057","0.0391","","","0.0953","0.1037","","","","","","1.033","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079827","14.72965","0.00019","20.6819","0.0002","18.2822","0.0002","90","","101.101","0.0012","90","","5465.22","0.11","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C116 H122 O35.5 P4 Rh2 -","- C116 H122 O35.5 P4 Rh2 -","- C232 H244 O71 P8 Rh4 -","2","1","","Hrdina, Radim; Guénée, Laure; Moraleda, Delphine; Lacour, Jérôme","Synthesis, Structural Analysis, and Catalytic Properties of Tetrakis(binaphthyl or octahydrobinaphthyl phosphate) Dirhodium(II,II) Complexes","Organometallics","2013","32","2","473","","10.1021/om300935u","","","1.54184","CuKα","","0.0441","0.043","","","0.1157","0.1182","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079828","16.46806","0.00008","18.70016","0.00009","29.55729","0.00015","90","","90","","90","","9102.33","0.08","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C91 H98 Cl6 N4 O16 P4 Rh2 -","- C91 H98 Cl6 N4 O16 P4 Rh2 -","- C364 H392 Cl24 N16 O64 P16 Rh8 -","4","1","","Hrdina, Radim; Guénée, Laure; Moraleda, Delphine; Lacour, Jérôme","Synthesis, Structural Analysis, and Catalytic Properties of Tetrakis(binaphthyl or octahydrobinaphthyl phosphate) Dirhodium(II,II) Complexes","Organometallics","2013","32","2","473","","10.1021/om300935u","","","1.54184","CuKα","","0.0485","0.0466","","","0.1282","0.1313","","","","","","1.026","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079829","10.68954","0.00011","10.68954","0.00011","23.2454","0.0003","90","","90","","120","","2300.31","0.04","180","2","180","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C20 H12 F2 O2 -","- C20 H12 F2 O2 -","- C120 H72 F12 O12 -","6","1","","Hrdina, Radim; Guénée, Laure; Moraleda, Delphine; Lacour, Jérôme","Synthesis, Structural Analysis, and Catalytic Properties of Tetrakis(binaphthyl or octahydrobinaphthyl phosphate) Dirhodium(II,II) Complexes","Organometallics","2013","32","2","473","","10.1021/om300935u","","","1.54184","CuKα","","0.0315","0.0308","","","0.0907","0.0922","","","","","","1.24","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079830","12.3956","0.0012","13.0995","0.0013","19.6103","0.0018","90","","90","","90","","3184.2","0.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Cl N2 Si -","- C15 H21 Cl N2 Si -","- C120 H168 Cl8 N16 Si8 -","8","1","","Li, Yiqun; de Kock, Carmen; Smith, Peter J.; Guzgay, Hajira; Hendricks, Denver T.; Naran, Krupa; Mizrahi, Valerie; Warner, Digby F.; Chibale, Kelly; Smith, Gregory S.","Synthesis, Characterization, and Pharmacological Evaluation of Silicon-Containing Aminoquinoline Organometallic Complexes As Antiplasmodial, Antitumor, and Antimycobacterial Agents","Organometallics","2013","32","1","141","","10.1021/om300945c","","","0.71073","MoKα","","0.0838","0.05","","","0.1103","0.1243","","","","","","1.028","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079831","32.188","0.0012","10.787","0.0002","15.501","0.0006","90","","115.305","0.001","90","","4865.7","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H33 Cl2 N2 Rh Si -","- C23 H33 Cl2 N2 Rh Si -","- C184 H264 Cl16 N16 Rh8 Si8 -","8","1","","Li, Yiqun; de Kock, Carmen; Smith, Peter J.; Guzgay, Hajira; Hendricks, Denver T.; Naran, Krupa; Mizrahi, Valerie; Warner, Digby F.; Chibale, Kelly; Smith, Gregory S.","Synthesis, Characterization, and Pharmacological Evaluation of Silicon-Containing Aminoquinoline Organometallic Complexes As Antiplasmodial, Antitumor, and Antimycobacterial Agents","Organometallics","2013","32","1","141","","10.1021/om300945c","","","0.71073","MoKα","","0.0588","0.0319","","","0.0682","0.0754","","","","","","1.003","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079832","12.4698","0.0008","18.3853","0.0011","11.4979","0.0007","90","","106.045","0.007","90","","2533.3","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H44 Ga Li Na0 Si4 -","- C16 H44 Ga Li Si4 -","- C64 H176 Ga4 Li4 Si16 -","4","1","","Armstrong, David R.; Brammer, Elanor; Cadenbach, Thomas; Hevia, Eva; Kennedy, Alan R.","Co-complexation Syntheses, Structural Characterization, and DFT Studies of a Novel Series of Polymeric Alkali-Metal Tetraorganogallates","Organometallics","2013","32","2","480","","10.1021/om3009469","","","0.71073","MoKα","","0.0688","0.0398","","","0.0819","0.0874","","","","","","0.953","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079833","28.189","0.0006","28.189","0.0006","12.7454","0.0003","90","","90","","90","","10127.7","0.4","123","2","123","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C16 H44 Ga Na Si4 -","- C16 H44 Ga Na Si4 -","- C256 H704 Ga16 Na16 Si64 -","16","1","","Armstrong, David R.; Brammer, Elanor; Cadenbach, Thomas; Hevia, Eva; Kennedy, Alan R.","Co-complexation Syntheses, Structural Characterization, and DFT Studies of a Novel Series of Polymeric Alkali-Metal Tetraorganogallates","Organometallics","2013","32","2","480","","10.1021/om3009469","","","0.71073","MoKα","","0.046","0.0339","","","0.0652","0.0704","","","","","","1.03","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079834","10.7469","0.0005","17.2476","0.0011","19.5632","0.001","90","","91.103","0.004","90","","3625.5","0.3","123","2","123","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H56 Ga K Si4 -","- C28 H56 Ga K Si4 -","- C112 H224 Ga4 K4 Si16 -","4","1","","Armstrong, David R.; Brammer, Elanor; Cadenbach, Thomas; Hevia, Eva; Kennedy, Alan R.","Co-complexation Syntheses, Structural Characterization, and DFT Studies of a Novel Series of Polymeric Alkali-Metal Tetraorganogallates","Organometallics","2013","32","2","480","","10.1021/om3009469","","","0.71073","MoKα","","0.0885","0.0659","","","0.1414","0.1582","","","","","","1.011","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079835","8.9411","0.001","15.5862","0.0012","13.5476","0.0011","90","","91.563","0.003","90","","1887.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H33 Cl Co P3 -","- C11 H33 Cl Co P3 -","- C44 H132 Cl4 Co4 P12 -","4","1","","Xu, Hongwei; Williard, Paul G.; Bernskoetter, Wesley H.","Intermolecular Methyl Group Exchange and Reversible P‒Me Bond Cleavage at Cobalt(III) Dimethyl Halide Species","Organometallics","2013","32","3","798","","10.1021/om3009537","","","0.71073","","","0.1056","0.0601","","","0.1244","0.1454","","","","","","1.043","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079836","13.909","0.012","14.831","0.012","21.003","0.018","90","","90","","90","","4333","6","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H33 Co F3 O3 P3 S -","- C12 H33 Co F3 O3 P3 S -","- C96 H264 Co8 F24 O24 P24 S8 -","8","1","","Xu, Hongwei; Williard, Paul G.; Bernskoetter, Wesley H.","Intermolecular Methyl Group Exchange and Reversible P‒Me Bond Cleavage at Cobalt(III) Dimethyl Halide Species","Organometallics","2013","32","3","798","","10.1021/om3009537","","","0.71073","MoKα","","0.0686","0.0473","","","0.1182","0.1349","","","","","","1.017","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079837","9.647","0.001","10.615","0.001","22.981","0.001","90","","106.899","0.003","90","","2251.7","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 B P2 S -","- C25 H25 B P2 S -","- C100 H100 B4 P8 S4 -","4","1","","Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas","Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives","Organometallics","2013","32","2","498","","10.1021/om300954a","","","0.71069","MoKα","","0.0557","0.0467","","","0.0977","0.1028","","","","","","1.082","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079838","8.894","0.001","11.152","0.001","22.31","0.001","90","","90","","90","","2212.8","0.3","150","0.1","150","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 B O P2 -","- C25 H25 B O P2 -","- C100 H100 B4 O4 P8 -","4","1","","Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas","Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives","Organometallics","2013","32","2","498","","10.1021/om300954a","","","0.71069","MoKα","","0.056","0.0494","","","0.0986","0.1035","","","","","","1.089","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079839","11.498","0.001","16.165","0.001","15.384","0.001","90","","105.124","0.001","90","","2760.3","0.3","396","2","396","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H64 B2 Li2 O2 P4 S2 -","- C58 H64 B2 Li2 O2 P4 S2 -","- C116 H128 B4 Li4 O4 P8 S4 -","2","1","","Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas","Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives","Organometallics","2013","32","2","498","","10.1021/om300954a","","","0.71069","MoKα","","0.0489","0.0447","","","0.0984","0.1024","","","","","","1.063","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079840","11.184","0.001","12.134","0.001","12.367","0.001","111.622","0.001","114.649","0.001","93.327","0.001","1372.8","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C58 H68 B2 Li2 O4 P4 -","- C58 H68 B2 Li2 O4 P4 -","- C58 H68 B2 Li2 O4 P4 -","1","0.5","","Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas","Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives","Organometallics","2013","32","2","498","","10.1021/om300954a","","","0.71069","MoKα","","0.047","0.0388","","","0.0797","0.0845","","","","","","1.038","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079841","18.637","0.001","10.657","0.001","34.465","0.001","90","","90","","90","","6845.2","0.8","396","2","396","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H43 B Li2 O4 P2 S -","- C33 H43 B Li2 O4 P2 S -","- C264 H344 B8 Li16 O32 P16 S8 -","8","2","","Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas","Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives","Organometallics","2013","32","2","498","","10.1021/om300954a","","","0.71069","MoKα","","0.0481","0.0474","","","0.1261","0.1268","","","","","","1.078","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079842","16.104","0.001","16.104","0.001","57.726","0.002","90","","90","","120","","12964.9","1.2","150","0.1","150","0.1","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C67 H106 Li7 O5 P3 S3 Si4 -","- C67.02 H106.05 Li7 O5 P3 S3 Si4 -","- C402.12 H636.3 Li42 O30 P18 S18 Si24 -","6","0.333333","","Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas","Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives","Organometallics","2013","32","2","498","","10.1021/om300954a","","","0.71069","MoKα","","0.1092","0.0802","","","0.2257","0.2439","","","","","","1.038","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079843","11.0341","0.0003","10.756","0.0003","14.995","0.0004","90","","99.226","0.002","90","","1756.63","0.08","103","2","103","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C37 H47 B Mg O3 P2 S -","- C37 H47 B Mg O3 P2 S -","- C74 H94 B2 Mg2 O6 P4 S2 -","2","1","","Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas","Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives","Organometallics","2013","32","2","498","","10.1021/om300954a","","","0.71073","MoKα","","0.0874","0.0567","","","0.1214","0.1504","","","","","","1.035","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079844","12.909","0.001","23.904","0.001","26.912","0.001","105.11","0.001","99.058","0.001","92.24","0.001","7889.3","0.8","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C81.5 H85 B3 Li4 O4 P6 Si -","- C78 H81 B3 Li4 O4 P6 Si -","- C312 H324 B12 Li16 O16 P24 Si4 -","4","2","","Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas","Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives","Organometallics","2013","32","2","498","","10.1021/om300954a","","","0.71069","MoKα","","0.0843","0.0629","","","0.1568","0.1701","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079845","26.3225","0.0007","9.491","0.0003","20.1493","0.0006","90","","106.131","0.005","90","","4835.6","0.3","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 Cl6 N4 O6 Se2 Sn2 -","- C38 H50 Cl6 N4 O6 Se2 Sn2 -","- C152 H200 Cl24 N16 O24 Se8 Sn8 -","4","0.5","","Mairychová, Barbora; Svoboda, Tomáš; Erben, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman","Intramolecularly Coordinated Group 14 and 15 Chalcogenites","Organometallics","2013","32","1","157","","10.1021/om3009553","","","0.71073","MoKα","","0.0639","0.0381","","","0.0727","0.0819","","","","","","1.08","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079846","22.5721","0.0009","11.149","0.0007","22.5468","0.0009","90","","110.31","0.02","90","","5321.3","0.8","150","1","150","1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C40.5 H66 Bi3 Cl9 N6 O9 Se3 -","- C36 H57 Bi3 N6 O9 Se3 -","- C144 H228 Bi12 N24 O36 Se12 -","4","0.5","","Mairychová, Barbora; Svoboda, Tomáš; Erben, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman","Intramolecularly Coordinated Group 14 and 15 Chalcogenites","Organometallics","2013","32","1","157","","10.1021/om3009553","","","0.71073","MoKα","","0.0565","0.0452","","","0.105","0.1107","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079847","6.859","0.0005","10.852","0.0016","20.385","0.003","90","","100.517","0.007","90","","1491.8","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 N2 O3 Sb Se -","- C12 H19 N2 O3 Sb Se -","- C48 H76 N8 O12 Sb4 Se4 -","4","1","","Mairychová, Barbora; Svoboda, Tomáš; Erben, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman","Intramolecularly Coordinated Group 14 and 15 Chalcogenites","Organometallics","2013","32","1","157","","10.1021/om3009553","","","0.71073","MoKα","","0.0714","0.0353","","","0.0574","0.066","","","","","","1.054","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079848","9.604","0.0005","15.011","0.0009","16.657","0.0008","90","","124.385","0.005","90","","1981.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N2 O3.25 S Sn -","- C18 H25 N2 O3.282 S Sn -","- C72 H100 N8 O13.128 S4 Sn4 -","4","1","","Mairychová, Barbora; Svoboda, Tomáš; Erben, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman","Intramolecularly Coordinated Group 14 and 15 Chalcogenites","Organometallics","2013","32","1","157","","10.1021/om3009553","","","0.71073","MoKα","","0.0468","0.0272","","","0.0507","0.0575","","","","","","1.085","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079849","9.4462","0.0019","9.778","0.002","12.372","0.003","86.645","0.011","69.053","0.009","76.21","0.009","1036","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Au Cl3 N2 -","- C20 H22 Au Cl3 N2 -","- C40 H44 Au2 Cl6 N4 -","2","1","","Xu, Xiangya; Kim, Seung Hyo; Zhang, Xi; Das, Atanu Kumar; Hirao, Hajime; Hong, Soon Hyeok","Abnormal N-Heterocyclic Carbene Gold(I) Complexes: Synthesis, Structure, and Catalysis in Hydration of Alkynes","Organometallics","2013","32","1","164","","10.1021/om3009603","","","0.71073","MoKα","","0.0403","0.0355","","","0.1001","0.1132","","","","","","1.204","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079850","8.897","0.0005","14.3233","0.0007","13.8846","0.0007","90","","98.869","0.003","90","","1748.22","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Au Cl N2 -","- C16 H22 Au Cl N2 -","- C64 H88 Au4 Cl4 N8 -","4","1","","Xu, Xiangya; Kim, Seung Hyo; Zhang, Xi; Das, Atanu Kumar; Hirao, Hajime; Hong, Soon Hyeok","Abnormal N-Heterocyclic Carbene Gold(I) Complexes: Synthesis, Structure, and Catalysis in Hydration of Alkynes","Organometallics","2013","32","1","164","","10.1021/om3009603","","","0.71073","MoKα","","0.1442","0.0522","","","0.1299","0.1731","","","","","","1.034","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079851","8.0203","0.0004","9.4539","0.0005","10.6332","0.0007","105.11","0.003","100.168","0.004","92.556","0.003","762.65","0.08","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Au Cl3 N2 -","- C13 H16 Au Cl3 N2 -","- C26 H32 Au2 Cl6 N4 -","2","1","","Xu, Xiangya; Kim, Seung Hyo; Zhang, Xi; Das, Atanu Kumar; Hirao, Hajime; Hong, Soon Hyeok","Abnormal N-Heterocyclic Carbene Gold(I) Complexes: Synthesis, Structure, and Catalysis in Hydration of Alkynes","Organometallics","2013","32","1","164","","10.1021/om3009603","","","0.71073","MoKα","","0.0554","0.045","","","0.114","0.119","","","","","","1.103","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079852","10.3769","0.0004","9.8216","0.0003","12.3357","0.0004","90","","108.453","0.002","90","","1192.58","0.07","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 Au Cl N2 -","- C9 H16 Au Cl N2 -","- C36 H64 Au4 Cl4 N8 -","4","1","","Xu, Xiangya; Kim, Seung Hyo; Zhang, Xi; Das, Atanu Kumar; Hirao, Hajime; Hong, Soon Hyeok","Abnormal N-Heterocyclic Carbene Gold(I) Complexes: Synthesis, Structure, and Catalysis in Hydration of Alkynes","Organometallics","2013","32","1","164","","10.1021/om3009603","","","0.71073","MoKα","","0.0525","0.0443","","","0.1235","0.1299","","","","","","1.103","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079853","6.345","0.0004","21.6251","0.0014","40.383","0.003","90","","90.791","0.003","90","","5540.5","0.6","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H29 Au Cl F6 N4 P -","- C24.5 H29 Au Cl F6 N4 P -","- C196 H232 Au8 Cl8 F48 N32 P8 -","8","2","","Xu, Xiangya; Kim, Seung Hyo; Zhang, Xi; Das, Atanu Kumar; Hirao, Hajime; Hong, Soon Hyeok","Abnormal N-Heterocyclic Carbene Gold(I) Complexes: Synthesis, Structure, and Catalysis in Hydration of Alkynes","Organometallics","2013","32","1","164","","10.1021/om3009603","","","0.71073","MoKα","","0.0435","0.0293","","","0.0535","0.0584","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079854","12.5205","0.0002","20.7663","0.0003","22.532","0.0003","90","","90","","90","","5858.42","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H90 N6 O8 Ti2 -","- C58 H90 N6 O8 Ti2 -","- C232 H360 N24 O32 Ti8 -","4","0.5","","Li, Chen-Yu; Yu, Chia-Jung; Ko, Bao-Tsan","Facile Synthesis of Well-Defined Titanium Alkoxides Based on Benzotriazole Phenoxide Ligands: Efficient Catalysts for Ring-Opening Polymerization of Cyclic Esters","Organometallics","2013","32","1","172","","10.1021/om300962k","","","0.71073","MoKα","","0.0632","0.0468","","","0.1147","0.1249","","","","","","1.034","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079855","9.4538","0.0003","30.8648","0.0008","15.2809","0.0004","90","","106.692","0.001","90","","4270.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 N6 O4 Ti -","- C46 H62 N6 O4 Ti -","- C184 H248 N24 O16 Ti4 -","4","1","","Li, Chen-Yu; Yu, Chia-Jung; Ko, Bao-Tsan","Facile Synthesis of Well-Defined Titanium Alkoxides Based on Benzotriazole Phenoxide Ligands: Efficient Catalysts for Ring-Opening Polymerization of Cyclic Esters","Organometallics","2013","32","1","172","","10.1021/om300962k","","","0.71073","MoKα","","0.1212","0.0603","","","0.1186","0.1387","","","","","","1.014","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079856","10.4256","0.0002","13.1707","0.0003","17.4108","0.0004","90.459","0.002","92.021","0.001","98.561","0.001","2362.4","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H124 N12 O8 Ti2 -","- C99 H124 N12 O8 Ti2 -","- C99 H124 N12 O8 Ti2 -","1","0.5","","Li, Chen-Yu; Yu, Chia-Jung; Ko, Bao-Tsan","Facile Synthesis of Well-Defined Titanium Alkoxides Based on Benzotriazole Phenoxide Ligands: Efficient Catalysts for Ring-Opening Polymerization of Cyclic Esters","Organometallics","2013","32","1","172","","10.1021/om300962k","","","0.71073","MoKα","","0.0905","0.0521","","","0.1135","0.1279","","","","","","1.023","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079857","10.0672","0.0002","15.48","0.0003","16.4468","0.0004","110.522","0.001","103.266","0.001","99.374","0.001","2251.58","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H56 Cl2 N6 O4 Ti -","- C47 H56 Cl2 N6 O4 Ti -","- C94 H112 Cl4 N12 O8 Ti2 -","2","1","","Li, Chen-Yu; Yu, Chia-Jung; Ko, Bao-Tsan","Facile Synthesis of Well-Defined Titanium Alkoxides Based on Benzotriazole Phenoxide Ligands: Efficient Catalysts for Ring-Opening Polymerization of Cyclic Esters","Organometallics","2013","32","1","172","","10.1021/om300962k","","","0.71073","MoKα","","0.09","0.0567","","","0.1364","0.1577","","","","","","1.022","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079858","7.851","0.001","12.525","0.002","14.097","0.003","84.75","0.02","85.48","0.02","78.32","0.02","1349.2","0.4","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 F6 N4 P Pt -","- C27 H23 F6 N4 P Pt -","- C54 H46 F12 N8 P2 Pt2 -","2","1","","Chen, Yong; Lu, Wei; Che, Chi-Ming","Luminescent Pincer-Type Cyclometalated Platinum(II) Complexes with Auxiliary Isocyanide Ligands: Phase-Transfer Preparation, Solvatomorphism, and Self-Aggregation","Organometallics","2013","32","1","350","","10.1021/om300965b","","","0.71073","MoKα","","0.0401","0.0365","","","0.0968","0.0996","","","","","","1.025","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079859","6.8422","0.0003","24.1071","0.0012","15.0351","0.0008","90","","90","","90","","2480","0.2","296","2","296","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C25 H18 F6 N3 P Pt -","- C25 H18 F6 N3 P Pt -","- C100 H72 F24 N12 P4 Pt4 -","4","0.5","","Chen, Yong; Lu, Wei; Che, Chi-Ming","Luminescent Pincer-Type Cyclometalated Platinum(II) Complexes with Auxiliary Isocyanide Ligands: Phase-Transfer Preparation, Solvatomorphism, and Self-Aggregation","Organometallics","2013","32","1","350","","10.1021/om300965b","","","1.54178","CuKα","","0.0787","0.078","","","0.1993","0.2009","","","","","","1.083","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079860","7.3835","0.0002","24.5451","0.0007","21.2978","0.0006","90","","97.577","0.002","90","","3826.07","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H20 Cl Fe N3 O2 -","- C20.5 H20 Cl Fe N3 O2 -","- C164 H160 Cl8 Fe8 N24 O16 -","8","2","","Amin, Jahangir; Chuckowree, Irina; Tizzard, Graham J.; Coles, Simon J.; Wang, Minghua; Bingham, John P.; Hartley, John A.; Spencer, John","Targeting Epidermal Growth Factor Receptor with Ferrocene-Based Kinase Inhibitors","Organometallics","2013","32","2","509","","10.1021/om300974d","","","0.71073","MoKα","","0.1158","0.0823","","","0.1758","0.1992","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079861","17.87","0.006","7.225","0.002","17.095","0.006","90","","90.046","0.003","90","","2207.1","1.2","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Fe N3 O3 -","- C26 H25 Fe N3 O3 -","- C104 H100 Fe4 N12 O12 -","4","1","","Amin, Jahangir; Chuckowree, Irina; Tizzard, Graham J.; Coles, Simon J.; Wang, Minghua; Bingham, John P.; Hartley, John A.; Spencer, John","Targeting Epidermal Growth Factor Receptor with Ferrocene-Based Kinase Inhibitors","Organometallics","2013","32","2","509","","10.1021/om300974d","","","0.6889","Synchrotron","","0.0448","0.0357","","","0.0844","0.0925","","","","","","1.105","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079862","7.8161","0.0008","9.8929","0.001","15.2451","0.0016","76.453","0.002","79.549","0.002","83.197","0.002","1123.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Br Ir N3 -","- C25 H29 Br Ir N3 -","- C50 H58 Br2 Ir2 N6 -","2","1","","Rahaman, S. M. Wahidur; Dinda, Shrabani; Sinha, Arup; Bera, Jitendra K.","A Noninnocent Cyclooctadiene (COD) in the Reaction of an “Ir(COD)(OAc)” Precursor with Imidazolium Salts","Organometallics","2013","32","1","192","","10.1021/om300982q","","","0.71073","MoKα","","0.0336","0.0322","","","0.0854","0.0869","","","","","","1.023","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079863","24.6864","0.0006","24.6864","0.0006","8.3649","0.0004","90","","90","","90","","5097.7","0.3","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C28.25 H30.5 Br Cl0.5 Ir N4 -","- C28.25 H30.5 Br Cl0.5 Ir N4 -","- C226 H244 Br8 Cl4 Ir8 N32 -","8","1","","Rahaman, S. M. Wahidur; Dinda, Shrabani; Sinha, Arup; Bera, Jitendra K.","A Noninnocent Cyclooctadiene (COD) in the Reaction of an “Ir(COD)(OAc)” Precursor with Imidazolium Salts","Organometallics","2013","32","1","192","","10.1021/om300982q","","","0.71073","MoKα","","0.0548","0.0378","","","0.0855","0.0943","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079864","17.9306","0.0014","11.7882","0.0014","18.5379","0.0017","90","","107.018","0.002","90","","3746.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 B F4 Ir N2 -","- C18 H20 B F4 Ir N2 -","- C144 H160 B8 F32 Ir8 N16 -","8","1","","Rahaman, S. M. Wahidur; Dinda, Shrabani; Sinha, Arup; Bera, Jitendra K.","A Noninnocent Cyclooctadiene (COD) in the Reaction of an “Ir(COD)(OAc)” Precursor with Imidazolium Salts","Organometallics","2013","32","1","192","","10.1021/om300982q","","","0.71073","MoKα","","0.0428","0.0374","","","0.0919","0.0952","","","","","","1.185","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079865","7.5661","0.0004","11.9468","0.001","12.6947","0.0008","108.7","0.007","101.563","0.005","101.03","0.006","1023.66","0.14","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Ag F6 N5 P -","- C19 H17 Ag F6 N5 P -","- C38 H34 Ag2 F12 N10 P2 -","2","1","","Liu, Xiaolong; Pan, Shanfei; Wu, Junshi; Wang, Yapei; Chen, Wanzhi","A Planar π-Conjugated Naphthyridine-Based N-Heterocyclic Carbene Ligand and Its Derived Transition-Metal Complexes","Organometallics","2013","32","1","209","","10.1021/om3009876","","","0.71073","MoKα","","0.0337","0.0283","","","0.0615","0.0655","","","","","","1.043","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079866","24.2825","0.0007","13.4727","0.0004","13.9714","0.0004","90","","90","","90","","4570.8","0.2","140","2","140","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C21 H20 Cu F6 N6 P -","- C21 H20 Cu F6 N6 P -","- C168 H160 Cu8 F48 N48 P8 -","8","1","","Liu, Xiaolong; Pan, Shanfei; Wu, Junshi; Wang, Yapei; Chen, Wanzhi","A Planar π-Conjugated Naphthyridine-Based N-Heterocyclic Carbene Ligand and Its Derived Transition-Metal Complexes","Organometallics","2013","32","1","209","","10.1021/om3009876","","","0.71073","MoKα","","0.0472","0.0359","","","0.089","0.0971","","","","","","1.057","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079867","7.751","0.0004","12.007","0.0006","16.6989","0.001","88.355","0.004","89.248","0.004","82.027","0.004","1538.38","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H25 Cu F6 N7 P -","- C31 H25 Cu F6 N7 P -","- C62 H50 Cu2 F12 N14 P2 -","2","1","","Liu, Xiaolong; Pan, Shanfei; Wu, Junshi; Wang, Yapei; Chen, Wanzhi","A Planar π-Conjugated Naphthyridine-Based N-Heterocyclic Carbene Ligand and Its Derived Transition-Metal Complexes","Organometallics","2013","32","1","209","","10.1021/om3009876","","","0.71073","MoKα","","0.0768","0.0563","","","0.1478","0.1656","","","","","","1.021","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079868","30.2096","0.0008","11.4537","0.0004","28.5882","0.0008","90","","110.919","0.003","90","","9239.8","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H46 Cu F6 N5 O0.5 P3 -","- C47 H46 Cu F6 N5 O0.5 P3 -","- C376 H368 Cu8 F48 N40 O4 P24 -","8","1","","Liu, Xiaolong; Pan, Shanfei; Wu, Junshi; Wang, Yapei; Chen, Wanzhi","A Planar π-Conjugated Naphthyridine-Based N-Heterocyclic Carbene Ligand and Its Derived Transition-Metal Complexes","Organometallics","2013","32","1","209","","10.1021/om3009876","","","0.71073","MoKα","","0.0715","0.0506","","","0.1273","0.1421","","","","","","1.034","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4079869","12.1245","0.0004","13.2797","0.0005","14.8043","0.0005","65.262","0.003","84.575","0.003","87.872","0.003","2155.19","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34 Co F12 N10 P2 -","- C38 H34 Co F12 N10 P2 -","- C76 H68 Co2 F24 N20 P4 -","2","1","","Liu, Xiaolong; Pan, Shanfei; Wu, Junshi; Wang, Yapei; Chen, Wanzhi","A Planar π-Conjugated Naphthyridine-Based N-Heterocyclic Carbene Ligand and Its Derived Transition-Metal Complexes","Organometallics","2013","32","1","209","","10.1021/om3009876","","","0.71073","MoKα","","0.0531","0.0402","","","0.1002","0.107","","","","","","1.078","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079870","12.6512","0.0005","13.5778","0.0006","18.7523","0.0008","73.792","0.004","73.055","0.004","67.873","0.004","2801.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H48 F12 N14 Ni P2 -","- C55 H48 F12 N14 Ni P2 -","- C110 H96 F24 N28 Ni2 P4 -","2","1","","Liu, Xiaolong; Pan, Shanfei; Wu, Junshi; Wang, Yapei; Chen, Wanzhi","A Planar π-Conjugated Naphthyridine-Based N-Heterocyclic Carbene Ligand and Its Derived Transition-Metal Complexes","Organometallics","2013","32","1","209","","10.1021/om3009876","","","0.71073","MoKα","","0.0792","0.0555","","","0.1355","0.1536","","","","","","1.02","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079871","8.434","0.008","11.737","0.011","12.804","0.012","90","","103.4","0.014","90","","1233","2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H4 Ag9 N7 O21 -","- C6 H4 Ag9 N7 O21 -","- C12 H8 Ag18 N14 O42 -","2","1","","Hu, Ting; Mak, Thomas C. W.","Silver(I) Double and Multiple Salts Containing 1,5-Hexadiyne-1,6-diide and Nitrate Ions","Organometallics","2013","32","1","202","","10.1021/om300988r","","","0.71073","MoKα","","0.0745","0.0671","","","0.1654","0.1753","","","","","","1.007","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079872","7.437","0.003","27.268","0.013","8.247","0.004","90","","100.864","0.009","90","","1642.5","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 Ag7 F2 N3 O9 -","- C6 H4 Ag7 F2 N3 O9 -","- C24 H16 Ag28 F8 N12 O36 -","4","1","","Hu, Ting; Mak, Thomas C. W.","Silver(I) Double and Multiple Salts Containing 1,5-Hexadiyne-1,6-diide and Nitrate Ions","Organometallics","2013","32","1","202","","10.1021/om300988r","","","0.71073","MoKα","","0.071","0.0589","","","0.1483","0.1626","","","","","","1.086","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079873","6.9969","0.0004","32.2268","0.0018","10.712","0.0006","90","","97.824","0.001","90","","2392.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ag6 N8 O12 -","- C12 H12 Ag6 N8 O12 -","- C48 H48 Ag24 N32 O48 -","4","1","","Hu, Ting; Mak, Thomas C. W.","Silver(I) Double and Multiple Salts Containing 1,5-Hexadiyne-1,6-diide and Nitrate Ions","Organometallics","2013","32","1","202","","10.1021/om300988r","","","0.71073","MoKα","","0.0784","0.071","","","0.1872","0.1949","","","","","","1.084","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079874","8.8969","0.0005","14.2228","0.0008","15.2864","0.0009","90","","91.319","0.001","90","","1933.81","0.19","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Ag6 N6 O6 -","- C12 H10 Ag6 N6 O6 -","- C48 H40 Ag24 N24 O24 -","4","1","","Hu, Ting; Mak, Thomas C. W.","Silver(I) Double and Multiple Salts Containing 1,5-Hexadiyne-1,6-diide and Nitrate Ions","Organometallics","2013","32","1","202","","10.1021/om300988r","","","0.71073","MoKα","","0.0724","0.0683","","","0.167","0.1723","","","","","","1.064","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079875","8.2733","0.0005","14.2973","0.0011","23.5083","0.0011","90","","90","","90","","2780.7","0.3","296","2","296","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C8 H10 Ag3 N4 O6 -","- C8 H10 Ag3 N4 O6 -","- C64 H80 Ag24 N32 O48 -","8","","","Hu, Ting; Mak, Thomas C. W.","Silver(I) Double and Multiple Salts Containing 1,5-Hexadiyne-1,6-diide and Nitrate Ions","Organometallics","2013","32","1","202","","10.1021/om300988r","","","0.71073","MoKα","","0.0525","0.0476","","","0.1149","0.1186","","","","","","1.059","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079876","10.0756","0.0002","25.5986","0.0006","25.8184","0.0005","90","","105.002","0.001","90","","6432.2","0.2","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H50 B F24 Mo2 O2 P -","- C62 H50 B F24 Mo2 O2 P -","- C248 H200 B4 F96 Mo8 O8 P4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Menéndez, Sonia; Ruiz, Miguel A.","Electronic Structure and Reactivity of the Carbyne-Bridged Dimolybdenum Radical [Mo2(η5-C5H5)2(μ-CPh)(μ-PCy2)(μ-CO)]+","Organometallics","2013","32","1","218","","10.1021/om300989j","","x-ray","0.71073","MoKα","","0.0427","0.0352","","","0.1144","0.1181","","","","","","1.194","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079877","14.2293","0.0005","11.7167","0.0005","19.4308","0.0006","90","","110.289","0.001","90","","3038.52","0.19","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Cl2 Mo2 O2 P -","- C31 H39 Cl2 Mo2 O2 P -","- C124 H156 Cl8 Mo8 O8 P4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Menéndez, Sonia; Ruiz, Miguel A.","Electronic Structure and Reactivity of the Carbyne-Bridged Dimolybdenum Radical [Mo2(η5-C5H5)2(μ-CPh)(μ-PCy2)(μ-CO)]+","Organometallics","2013","32","1","218","","10.1021/om300989j","","x-ray","0.71073","MoKα","","0.0667","0.0405","","","0.1092","0.1456","","","","","","1.139","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079878","9.77","0.0004","9.9477","0.0005","15.515","0.0008","90.107","0.002","94.162","0.002","96.443","0.002","1494.34","0.12","100","0.1","100","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C30 H37 Mo2 O2 P -","- C30 H37 Mo2 O2 P -","- C60 H74 Mo4 O4 P2 -","2","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Menéndez, Sonia; Ruiz, Miguel A.","Electronic Structure and Reactivity of the Carbyne-Bridged Dimolybdenum Radical [Mo2(η5-C5H5)2(μ-CPh)(μ-PCy2)(μ-CO)]+","Organometallics","2013","32","1","218","","10.1021/om300989j","","x-ray","0.71073","MoKα","","0.0799","0.0528","","","0.1057","0.1149","","","","","","1.054","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079879","10.756","0.004","15.359","0.005","15.953","0.005","107.5","0.01","92.77","0.01","99.65","0.01","2464.2","1.5","108.1","","108.1","","","","","","","","","6","P -1","-P 1","2","","","","- C51 H49 N3 O11 P5 Ru -","- C51 H49 N3 O11 P5 Ru -","- C102 H98 N6 O22 P10 Ru2 -","2","1","","Kanao, Keiichiro; Ikeda, Yousuke; Kimura, Kazuhiro; Kamimura, Sou; Tanabe, Yoshiaki; Mutoh, Yuichiro; Iwasaki, Masakazu; Ishii, Youichi","Transformations of Alkynes at a Cyclotriphosphato Ruthenium Complex","Organometallics","2013","32","2","527","","10.1021/om3009926","","","0.7107","MoKα","","","0.055","","","","0.055","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079880","45.688","0.008","10.617","0.002","26.564","0.005","90","","123.517","0.002","90","","10743","3","123.1","","123.1","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H48 N3 O10.5 P5 Ru -","- C54 H47.5 N3 O10.5 P5 Ru -","- C432 H380 N24 O84 P40 Ru8 -","8","1","","Kanao, Keiichiro; Ikeda, Yousuke; Kimura, Kazuhiro; Kamimura, Sou; Tanabe, Yoshiaki; Mutoh, Yuichiro; Iwasaki, Masakazu; Ishii, Youichi","Transformations of Alkynes at a Cyclotriphosphato Ruthenium Complex","Organometallics","2013","32","2","527","","10.1021/om3009926","","","0.7107","MoKα","","","0.047","","","","0.052","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079881","10.663","0.003","15.345","0.006","17.515","0.006","98.67","0.01","106.18","0.01","105.36","0.01","2574.8","1.5","108.1","","108.1","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H47 N6 O9 P5 Ru -","- C52 H47 N6 O9 P5 Ru -","- C104 H94 N12 O18 P10 Ru2 -","2","1","","Kanao, Keiichiro; Ikeda, Yousuke; Kimura, Kazuhiro; Kamimura, Sou; Tanabe, Yoshiaki; Mutoh, Yuichiro; Iwasaki, Masakazu; Ishii, Youichi","Transformations of Alkynes at a Cyclotriphosphato Ruthenium Complex","Organometallics","2013","32","2","527","","10.1021/om3009926","","","0.7107","MoKα","","","0.04","","","","0.041","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079882","10.7266","0.0014","24.522","0.005","21.93","0.003","90","","91.157","0.007","90","","5767.2","1.6","108.1","","108.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H56 N3 O15 P5 Ru -","- C57 H55 N3 O15 P5 Ru -","- C228 H220 N12 O60 P20 Ru4 -","4","1","","Kanao, Keiichiro; Ikeda, Yousuke; Kimura, Kazuhiro; Kamimura, Sou; Tanabe, Yoshiaki; Mutoh, Yuichiro; Iwasaki, Masakazu; Ishii, Youichi","Transformations of Alkynes at a Cyclotriphosphato Ruthenium Complex","Organometallics","2013","32","2","527","","10.1021/om3009926","","","0.71075","MoKα","","","0.0383","","","","0.0405","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079883","13.0402","0.001","14.4874","0.0013","16.2155","0.0012","100.416","0.004","97.9811","0.0018","99.869","0.004","2922.4","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H56 N3 O12 P5 Ru -","- C62 H52 N3 O12 P5 Ru -","- C124 H104 N6 O24 P10 Ru2 -","2","1","","Kanao, Keiichiro; Ikeda, Yousuke; Kimura, Kazuhiro; Kamimura, Sou; Tanabe, Yoshiaki; Mutoh, Yuichiro; Iwasaki, Masakazu; Ishii, Youichi","Transformations of Alkynes at a Cyclotriphosphato Ruthenium Complex","Organometallics","2013","32","2","527","","10.1021/om3009926","","","0.71075","MoKα","","","0.0439","","","","0.1119","","","","","","1.08","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079884","10.578","0.002","16.978","0.003","27.567","0.006","90","","94.624","0.008","90","","4934.7","1.7","108.1","","108.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H46 N3 O12 P5 Ru -","- C51 H46 N3 O12 P5 Ru -","- C204 H184 N12 O48 P20 Ru4 -","4","1","","Kanao, Keiichiro; Ikeda, Yousuke; Kimura, Kazuhiro; Kamimura, Sou; Tanabe, Yoshiaki; Mutoh, Yuichiro; Iwasaki, Masakazu; Ishii, Youichi","Transformations of Alkynes at a Cyclotriphosphato Ruthenium Complex","Organometallics","2013","32","2","527","","10.1021/om3009926","","","0.7107","MoKα","","","0.051","","","","0.052","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079885","10.593","0.002","17.404","0.004","32.494","0.007","90","","92.252","0.003","90","","5986","2","123.1","","123.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H60 N3 O12 P5 Ru -","- C64 H60 N3 O12 P5 Ru -","- C256 H240 N12 O48 P20 Ru4 -","4","1","","Kanao, Keiichiro; Ikeda, Yousuke; Kimura, Kazuhiro; Kamimura, Sou; Tanabe, Yoshiaki; Mutoh, Yuichiro; Iwasaki, Masakazu; Ishii, Youichi","Transformations of Alkynes at a Cyclotriphosphato Ruthenium Complex","Organometallics","2013","32","2","527","","10.1021/om3009926","","","0.7107","MoKα","","","0.051","","","","0.053","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079886","10.584","0.003","14.659","0.004","17.808","0.007","84.18","0.02","73.41","0.03","88.88","0.03","2634.1","1.5","108.1","","108.1","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H42 Cl4 N3 O10 P5 Ru -","- C49 H42 Cl4 N3 O10 P5 Ru -","- C98 H84 Cl8 N6 O20 P10 Ru2 -","2","1","","Kanao, Keiichiro; Ikeda, Yousuke; Kimura, Kazuhiro; Kamimura, Sou; Tanabe, Yoshiaki; Mutoh, Yuichiro; Iwasaki, Masakazu; Ishii, Youichi","Transformations of Alkynes at a Cyclotriphosphato Ruthenium Complex","Organometallics","2013","32","2","527","","10.1021/om3009926","","","0.7107","MoKα","","","0.056","","","","0.057","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079887","10.9102","0.0009","13.9485","0.0011","19.4162","0.0015","90","","98.836","0.001","90","","2919.7","0.4","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","corannulene-(tris(dimethoxyethane)-lithium)","","- C32 H40 Li O6 -","- C32 H40 Li O6 -","- C128 H160 Li4 O24 -","4","2","","Spisak, Sarah N.; Zabula, Alexander V.; Ferguson, Michael V.; Filatov, Alexander S.; Petrukhina, Marina A.","“Naked” Mono- and Dianions of Corannulene with Lithium Counterions","Organometallics","2013","32","2","538","","10.1021/om300998p","","","0.71073","Mo-Kα","","0.1081","0.0867","","","0.1676","0.1783","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079888","9.9538","0.0008","16.5575","0.0013","14.5784","0.0011","90","","90.976","0.001","90","","2402.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","corannulene-(15-crown-5-ether)-lithium)","","- C30 H30 Li O5 -","- C30 H30 Li O5 -","- C120 H120 Li4 O20 -","4","1","","Spisak, Sarah N.; Zabula, Alexander V.; Ferguson, Michael V.; Filatov, Alexander S.; Petrukhina, Marina A.","“Naked” Mono- and Dianions of Corannulene with Lithium Counterions","Organometallics","2013","32","2","538","","10.1021/om300998p","","","0.71073","Mo-Kα","","0.0794","0.0586","","","0.1045","0.1144","","","","","","1.011","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079889","9.611","0.003","17.585","0.005","15.197","0.006","90","","93.912","0.004","90","","2562.5","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(η5,η2-(exo-corannulene))(bis(dimethoxyethane-lithium))-dimethoxyethane","","- C30 H35 Li2 O5 -","- C30 H35 Li2 O5 -","- C120 H140 Li8 O20 -","4","1","","Spisak, Sarah N.; Zabula, Alexander V.; Ferguson, Michael V.; Filatov, Alexander S.; Petrukhina, Marina A.","“Naked” Mono- and Dianions of Corannulene with Lithium Counterions","Organometallics","2013","32","2","538","","10.1021/om300998p","","","0.71073","Mo-Kα","","0.1926","0.0618","","","0.0897","0.1109","","","","","","1.089","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079890","14.032","0.004","19.217","0.006","16.592","0.005","90","","101.547","0.005","90","","4384","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","corannulene-bis(bis(bis(2-methoxyethyl) ether)-lithium))","","- C44 H66 Li2 O12 -","- C44 H66 Li2 O12 -","- C176 H264 Li8 O48 -","4","1","","Spisak, Sarah N.; Zabula, Alexander V.; Ferguson, Michael V.; Filatov, Alexander S.; Petrukhina, Marina A.","“Naked” Mono- and Dianions of Corannulene with Lithium Counterions","Organometallics","2013","32","2","538","","10.1021/om300998p","","","0.71073","Mo-Kα","","0.0972","0.0553","","","0.0812","0.0925","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079891","11.3808","0.0003","13.3608","0.0004","21.7312","0.0007","80.445","0.002","78.606","0.002","75.69","0.002","3114.77","0.16","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Me2Si(ON[Me]O)","2,4,8,10-Tetra-tert-butyl-6,6,12-trimethyl-12H- dibenzo[d,g][1,3,6,2]dioxazasilocine","","- C31 H49 N O2 Si -","- C31 H49 N O2 Si -","- C124 H196 N4 O8 Si4 -","4","2","","Shekar, Sukesh; Brown, Seth N.","Migrations of Alkyl and Aryl Groups from Silicon to Nitrogen in Silylated Aryloxyiminoquinones","Organometallics","2013","32","2","556","","10.1021/om301028c","","","0.71073","MoKα","","0.0943","0.054","","","0.1345","0.1604","","","","","","1.016","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079892","9.7339","0.0006","17.7599","0.0011","23.0354","0.0014","90","","90","","90","","3982.2","0.4","121","2","121","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ClMeSi(ON[Me]O).2 C6H6","2,4,8,10-Tetra-tert-butyl-6-chloro-6,12-dimethyl-12H- dibenzo[d,g][1,3,6,2]dioxazasilocine bisbenzene solvate","","- C42 H58 Cl N O2 Si -","- C42 H58 Cl N O2 Si -","- C168 H232 Cl4 N4 O8 Si4 -","4","1","","Shekar, Sukesh; Brown, Seth N.","Migrations of Alkyl and Aryl Groups from Silicon to Nitrogen in Silylated Aryloxyiminoquinones","Organometallics","2013","32","2","556","","10.1021/om301028c","","","0.71073","MoKα","","0.0799","0.0588","","","0.1547","0.1635","","","","","","0.999","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079893","10.7842","0.001","10.7966","0.0009","14.8554","0.0013","74.145","0.002","79.789","0.002","76.926","0.002","1608.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","ClPhSi(ON[Me]O)","2,4,8,10-tetra-tert-butyl-6-chloro-12-methyl-6-phenyl-12H- dibenzo[d,g][1,3,6,2]dioxazasilocine","","- C35 H48 Cl N O2 Si -","- C35 H48 Cl N O2 Si -","- C70 H96 Cl2 N2 O4 Si2 -","2","1","","Shekar, Sukesh; Brown, Seth N.","Migrations of Alkyl and Aryl Groups from Silicon to Nitrogen in Silylated Aryloxyiminoquinones","Organometallics","2013","32","2","556","","10.1021/om301028c","","","0.71073","MoKα","","0.0737","0.0439","","","0.0957","0.1088","","","","","","1.016","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079894","10.8488","0.0014","10.8977","0.0015","15.012","0.002","78.879","0.002","73.065","0.002","75.628","0.002","1630.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","MePhSi(ON[Me]O)","2,4,8,10-Tetra-tert-butyl-6,12-dimethyl-6-phenyl-12H- dibenzo[d,g][1,3,6,2]dioxazasilocine","","- C36 H51 N O2 Si -","- C36 H51 N O2 Si -","- C72 H102 N2 O4 Si2 -","2","1","","Shekar, Sukesh; Brown, Seth N.","Migrations of Alkyl and Aryl Groups from Silicon to Nitrogen in Silylated Aryloxyiminoquinones","Organometallics","2013","32","2","556","","10.1021/om301028c","","","0.71073","MoKα","","0.0469","0.0378","","","0.0957","0.1017","","","","","","1.036","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079895","23.8378","0.0017","13.5671","0.001","27.1044","0.0019","90","","114.196","0.0013","90","","7995.7","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ph2Si(ON[Ph]O)","2,4,8,12-Tetra-tert-butyl-6,6,12-triphenyl-12H- dibenzo[d,g][1,3,6,2]dioxazasilocine","","- C46 H55 N O2 Si -","- C46 H55 N O2 Si -","- C368 H440 N8 O16 Si8 -","8","2","","Shekar, Sukesh; Brown, Seth N.","Migrations of Alkyl and Aryl Groups from Silicon to Nitrogen in Silylated Aryloxyiminoquinones","Organometallics","2013","32","2","556","","10.1021/om301028c","","","0.71073","MoKα","","0.0599","0.0408","","","0.0986","0.1113","","","","","","1.01","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079896","11.1201","0.0011","12.8168","0.0015","23.1726","0.0019","103.694","0.007","90.075","0.005","106.822","0.007","3062.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Pb(ONO-Q)2 . 2 CHCl3","Bis[2-(3,5-di-tert-butyl-o-quinoneiminato)-4,6-di-tert- butylphenoxy]lead(II) dichloroform solvate","","- C58 H82 Cl6 N2 O4 Pb -","- C58 H82 Cl6 N2 O4 Pb -","- C116 H164 Cl12 N4 O8 Pb2 -","2","1","","Shekar, Sukesh; Brown, Seth N.","Migrations of Alkyl and Aryl Groups from Silicon to Nitrogen in Silylated Aryloxyiminoquinones","Organometallics","2013","32","2","556","","10.1021/om301028c","","","0.71073","MoKα","","0.0377","0.0299","","","0.0633","0.0662","","","","","","1.025","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079897","11.1944","0.001","12.1836","0.0011","20.7527","0.0018","90.909","0.002","104.408","0.002","103.912","0.002","2652.3","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Si(ONO-SQ)2","Bis[2-(3,5-di-tert-butyl-o-quinoneiminosemiquinonato)- 4,6-di-tert-butylphenoxy]silicon(IV)","","- C56 H80 N2 O4 Si -","- C56 H80 N2 O4 Si -","- C112 H160 N4 O8 Si2 -","2","1","","Shekar, Sukesh; Brown, Seth N.","Migrations of Alkyl and Aryl Groups from Silicon to Nitrogen in Silylated Aryloxyiminoquinones","Organometallics","2013","32","2","556","","10.1021/om301028c","","","0.71073","MoKα","","0.059","0.0432","","","0.1082","0.1195","","","","","","1.004","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079898","5.9995","0.0003","9.4458","0.0004","26.4122","0.0011","80.198","0.002","84.4337","0.0019","81.1163","0.0018","1453.39","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Me2Si(ONO-SQ)","2,4,8,10-Tetra-tert-butyl-6,6-dimethyl- dibenzo[d,g][1,3,6,2]dioxazasilocine","","- C30 H46 N O2 Si -","- C30 H46 N O2 Si -","- C60 H92 N2 O4 Si2 -","2","1","","Shekar, Sukesh; Brown, Seth N.","Migrations of Alkyl and Aryl Groups from Silicon to Nitrogen in Silylated Aryloxyiminoquinones","Organometallics","2013","32","2","556","","10.1021/om301028c","","","0.71073","MoKα","","0.053","0.04","","","0.0923","0.0993","","","","","","1.034","","","","has coordinates","178687","2020-10-21","18:00:00",""
"4079899","13.041","0.003","15.124","0.003","18.205","0.004","72.58","0.03","84.92","0.03","89.92","0.03","3411.3","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(ON[Me]O)Si(Me)(μ-O)Si(Me)(ON[Me]O) . 2 C6H6","Oxidobis(6,6'-2,4,8,10-Tetra-tert-butyl-6,12-dimethyl-12H- dibenzo[d,g][1,3,6,2]dioxazasilocine) dibenzene solvate","","- C72 H104 N2 O5 Si2 -","- C72 H104 N2 O5 Si2 -","- C144 H208 N4 O10 Si4 -","2","1","","Shekar, Sukesh; Brown, Seth N.","Migrations of Alkyl and Aryl Groups from Silicon to Nitrogen in Silylated Aryloxyiminoquinones","Organometallics","2013","32","2","556","","10.1021/om301028c","","","0.71073","MoKα","","0.0688","0.0516","","","0.1256","0.1383","","","","","","1.031","","","","has coordinates,has disorder","178687","2020-10-21","18:00:00",""
"4079900","11.4749","0.0007","13.7394","0.0009","15.8998","0.001","90","","97.678","0.001","90","","2484.3","0.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 6 = 969mp L-578-1","compound 6","","- C23 H30 B Ir N6 O -","- C23 H30 B Ir N6 O -","- C92 H120 B4 Ir4 N24 O4 -","4","1","","Santos, Laura L.; Mereiter, Kurt; Paneque, Margarita","Reaction of 2-Methylanisole with TpMe2Ir(C6H5)2(N2): A Comprehensive Set of Activations","Organometallics","2013","32","2","565","","10.1021/om301033c","","","0.71073","MoKα","","0.0293","0.0226","","","0.0579","0.0612","","","","","","1.03","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079901","10.445","0.0006","11.343","0.0006","13.4251","0.001","88.296","0.005","74.914","0.005","73.842","0.004","1473.53","0.17","291","1","291","1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 N S2 Sb -","- C31 H32 N S2 Sb -","- C62 H64 N2 S4 Sb2 -","2","1","","Šimon, Petr; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Oxidative Addition of Diphenyldichalcogenides PhEEPh (E = S, Se, Te) to Low-Valent CN- and NCN-Chelated Organoantimony and Organobismuth Compounds","Organometallics","2013","32","1","239","","10.1021/om3010383","","","0.71073","MoKα","","0.07","0.0439","","","0.0823","0.0969","","","","","","1.181","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079902","10.399","0.0007","16.73","0.0009","16.9401","0.0011","89.189","0.005","78.837","0.006","85.824","0.004","2883.7","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 N Sb Se2 -","- C31 H32 N Sb Se2 -","- C124 H128 N4 Sb4 Se8 -","4","2","","Šimon, Petr; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Oxidative Addition of Diphenyldichalcogenides PhEEPh (E = S, Se, Te) to Low-Valent CN- and NCN-Chelated Organoantimony and Organobismuth Compounds","Organometallics","2013","32","1","239","","10.1021/om3010383","","","0.71073","MoKα","","0.0685","0.0407","","","0.0691","0.0803","","","","","","1.149","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079903","14.014","0.0012","13.937","0.0013","23.325","0.002","90","","108.194","0.007","90","","4327.9","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 Bi2 Cl6 N2 -","- C39 H46 Bi2 Cl6 N2 -","- C156 H184 Bi8 Cl24 N8 -","4","1","","Šimon, Petr; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Oxidative Addition of Diphenyldichalcogenides PhEEPh (E = S, Se, Te) to Low-Valent CN- and NCN-Chelated Organoantimony and Organobismuth Compounds","Organometallics","2013","32","1","239","","10.1021/om3010383","","","0.71073","MoKα","","0.0691","0.0481","","","0.0847","0.0919","","","","","","1.142","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079904","11.5161","0.0007","12.8699","0.0008","13.905","0.0004","111.91","0.004","96.333","0.005","93.836","0.007","1887.26","0.19","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H49 Bi N2 S -","- C44 H49 Bi N2 S -","- C88 H98 Bi2 N4 S2 -","2","1","","Šimon, Petr; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Oxidative Addition of Diphenyldichalcogenides PhEEPh (E = S, Se, Te) to Low-Valent CN- and NCN-Chelated Organoantimony and Organobismuth Compounds","Organometallics","2013","32","1","239","","10.1021/om3010383","","","0.71073","MoKα","","0.0434","0.0322","","","0.0618","0.0659","","","","","","1.087","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079905","11.467","0.0009","12.9619","0.0013","13.9831","0.0016","111.97","0.007","96.572","0.008","93.387","0.008","1903","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H49 Bi N2 Se -","- C44 H49 Bi N2 Se -","- C88 H98 Bi2 N4 Se2 -","2","1","","Šimon, Petr; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Oxidative Addition of Diphenyldichalcogenides PhEEPh (E = S, Se, Te) to Low-Valent CN- and NCN-Chelated Organoantimony and Organobismuth Compounds","Organometallics","2013","32","1","239","","10.1021/om3010383","","","0.71073","MoKα","","0.0564","0.0414","","","0.0944","0.1053","","","","","","1.116","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079906","11.46","0.0003","13.2141","0.001","14.041","0.0008","112.146","0.005","96.641","0.005","92.567","0.004","1947.2","0.2","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C44 H49 Bi N2 Te -","- C44 H49 Bi N2 Te -","- C88 H98 Bi2 N4 Te2 -","2","1","","Šimon, Petr; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Oxidative Addition of Diphenyldichalcogenides PhEEPh (E = S, Se, Te) to Low-Valent CN- and NCN-Chelated Organoantimony and Organobismuth Compounds","Organometallics","2013","32","1","239","","10.1021/om3010383","","","0.71073","MoKα","","0.0436","0.0303","","","0.0562","0.0614","","","","","","1.095","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079907","10.468","0.0008","16.545","0.0008","16.8689","0.0012","90.664","0.006","102.897","0.006","93.428","0.005","2841.8","0.3","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 Bi N S2 -","- C31 H32 Bi N S2 -","- C124 H128 Bi4 N4 S8 -","4","2","","Šimon, Petr; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Oxidative Addition of Diphenyldichalcogenides PhEEPh (E = S, Se, Te) to Low-Valent CN- and NCN-Chelated Organoantimony and Organobismuth Compounds","Organometallics","2013","32","1","239","","10.1021/om3010383","","","0.71073","MoKα","","0.0772","0.0433","","","0.0802","0.0938","","","","","","1.144","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079908","10.439","0.0008","16.6721","0.0014","17.0039","0.0016","90.159","0.007","101.646","0.006","94.06","0.006","2890.7","0.4","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 Bi N Se2 -","- C31 H32 Bi N Se2 -","- C124 H128 Bi4 N4 Se8 -","4","2","","Šimon, Petr; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Oxidative Addition of Diphenyldichalcogenides PhEEPh (E = S, Se, Te) to Low-Valent CN- and NCN-Chelated Organoantimony and Organobismuth Compounds","Organometallics","2013","32","1","239","","10.1021/om3010383","","","0.71073","MoKα","","0.0846","0.0492","","","0.098","0.1162","","","","","","1.117","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079909","29.2788","0.0004","11.1702","0.0004","24.299","0.0003","90","","108.771","0.003","90","","7524.3","0.3","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41.5 H44 Bi N Te2 -","- C38 H40 Bi N Te2 -","- C304 H320 Bi8 N8 Te16 -","8","1","","Šimon, Petr; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Oxidative Addition of Diphenyldichalcogenides PhEEPh (E = S, Se, Te) to Low-Valent CN- and NCN-Chelated Organoantimony and Organobismuth Compounds","Organometallics","2013","32","1","239","","10.1021/om3010383","","","0.71073","MoKα","","0.0469","0.0335","","","0.0544","0.0579","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079910","10.327","0.0007","12.3949","0.001","18.608","0.0009","90","","92.454","0.006","90","","2379.7","0.3","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Bi N2 S2 -","- C24 H29 Bi N2 S2 -","- C96 H116 Bi4 N8 S8 -","4","1","","Šimon, Petr; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Oxidative Addition of Diphenyldichalcogenides PhEEPh (E = S, Se, Te) to Low-Valent CN- and NCN-Chelated Organoantimony and Organobismuth Compounds","Organometallics","2013","32","1","239","","10.1021/om3010383","","","0.71073","MoKα","","0.049","0.0312","","","0.0513","0.0576","","","","","","1.107","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079911","11.9844","0.0009","13.3071","0.0011","13.543","0.001","88.736","0.003","84.748","0.002","73.004","0.003","2056.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.67 H55.67 Cl4.01 O2 P Ru -","- C39.67 H55.67 Cl4.01 O2 P Ru -","- C79.34 H111.34 Cl8.02 O4 P2 Ru2 -","2","1","","Tabari, Daniel S.; Tolentino, Daniel R.; Schrodi, Yann","Reactivation of a Ruthenium-Based Olefin Metathesis Catalyst.","Organometallics","2013","32","1","5","8","10.1021/om301042a","","","1.54178","CuKα","","0.0329","0.0326","","","0.0931","0.0935","","","","","","1.085","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079912","8.0126","0.0002","10.8956","0.0003","11.8288","0.0003","69.164","0.001","84.519","0.002","75.128","0.001","932.8","0.04","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Ag2 F6 N4 O6 P2 S2 -","- C26 H46 Ag2 F6 N4 O6 P2 S2 -","- C26 H46 Ag2 F6 N4 O6 P2 S2 -","1","0.5","","Marchenko, Anatoliy P.; Koidan, Heorgiy N.; Hurieva, Anastasiya N.; Gutov, Oleksii V.; Kostyuk, Aleksandr N.; Tubaro, Cristina; Lollo, Samira; Lanza, Arianna; Nestola, Fabrizio; Biffis, Andrea","N-Phosphorylated Azolylidenes: Novel Ligands for Dinuclear Complexes of Coinage Metals","Organometallics","2013","32","2","718","","10.1021/om301051t","","","0.71073","MoKα","","0.0315","0.0254","","","0.0523","0.0543","","","","","","1.26","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079913","8.0029","0.0011","11.5009","0.0015","21.177","0.003","90","","99.207","0.012","90","","1924","0.5","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 Au2 F6 N4 O6 P2 S2 -","- C26 H46 Au2 F6 N4 O6 P2 S2 -","- C52 H92 Au4 F12 N8 O12 P4 S4 -","2","0.5","","Marchenko, Anatoliy P.; Koidan, Heorgiy N.; Hurieva, Anastasiya N.; Gutov, Oleksii V.; Kostyuk, Aleksandr N.; Tubaro, Cristina; Lollo, Samira; Lanza, Arianna; Nestola, Fabrizio; Biffis, Andrea","N-Phosphorylated Azolylidenes: Novel Ligands for Dinuclear Complexes of Coinage Metals","Organometallics","2013","32","2","718","","10.1021/om301051t","","","0.71073","MoKα","","0.0563","0.028","","","0.0474","0.0493","","","","","","0.999","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079914","14.6798","0.0016","16.706","0.002","20.104","0.003","90","","90","","90","","4930.3","1.1","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C38 H56 Au2 F6 N6 O6 P2 S2 -","- C38 H56 Au2 F6 N6 O6 P2 S2 -","- C152 H224 Au8 F24 N24 O24 P8 S8 -","4","0.5","","Marchenko, Anatoliy P.; Koidan, Heorgiy N.; Hurieva, Anastasiya N.; Gutov, Oleksii V.; Kostyuk, Aleksandr N.; Tubaro, Cristina; Lollo, Samira; Lanza, Arianna; Nestola, Fabrizio; Biffis, Andrea","N-Phosphorylated Azolylidenes: Novel Ligands for Dinuclear Complexes of Coinage Metals","Organometallics","2013","32","2","718","","10.1021/om301051t","","","0.71073","MoKα","","0.1736","0.0445","","","0.0729","0.1308","","","","","","0.998","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079915","14.109","0.006","21.811","0.009","19.624","0.008","90","","92.696","0.015","90","","6032","4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H62 B O P3 -","- C64 H62 B O P3 -","- C256 H248 B4 O4 P12 -","4","1","","Song, Ki Cheol; Lee, Kang Mun; Nghia, Nguyen Van; Sung, Woo Young; Do, Youngkyu; Lee, Min Hyung","Synthesis and Anion Binding Properties of Multi-phosphonium Triarylboranes: Selective Sensing of Cyanide Ions in Buffered Water at pH 7","Organometallics","2013","32","3","817","","10.1021/om3010542","","","0.71073","MoKα","","0.1112","0.082","","","0.2326","0.2593","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079916","14.7733","0.0004","14.7733","0.0004","14.7733","0.0004","91.08","","91.08","","91.08","","3222.54","0.15","100","2","100","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C63 H63 B I3 P3 -","- C63 H63 B I3 P3 -","- C126 H126 B2 I6 P6 -","2","0.333333","","Song, Ki Cheol; Lee, Kang Mun; Nghia, Nguyen Van; Sung, Woo Young; Do, Youngkyu; Lee, Min Hyung","Synthesis and Anion Binding Properties of Multi-phosphonium Triarylboranes: Selective Sensing of Cyanide Ions in Buffered Water at pH 7","Organometallics","2013","32","3","817","","10.1021/om3010542","","","0.71073","MoKα","","0.0895","0.0736","","","0.209","0.2156","","","","","","1.069","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079917","23.54","0.002","11.4463","0.0011","16.5946","0.0017","90","","111.4","0.002","90","","4163.1","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 F N2 O -","- C25 H27 F N2 O -","- C200 H216 F8 N16 O8 -","8","1","","Alkarekshi, Wafaa; Armitage, Andrew P.; Boyron, Olivier; Davies, Christopher J.; Govere, Matifadza; Gregory, Andrew; Singh, Kuldip; Solan, Gregory A.","Phenolate Substituent Effects on Ring-Opening Polymerization of ε-Caprolactone by Aluminum Complexes Bearing 2-(Phenyl-2-olate)-6-(1-amidoalkyl)pyridine Pincers","Organometallics","2013","32","1","249","","10.1021/om301057d","","","0.71073","MoKα","","0.1445","0.0844","","","0.1733","0.2022","","","","","","0.911","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079918","9.6394","0.0011","11.4816","0.0013","12.6831","0.0014","110.724","0.002","106.05","0.002","97.669","0.002","1219.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 N2 O -","- C28 H34 N2 O -","- C56 H68 N4 O2 -","2","1","","Alkarekshi, Wafaa; Armitage, Andrew P.; Boyron, Olivier; Davies, Christopher J.; Govere, Matifadza; Gregory, Andrew; Singh, Kuldip; Solan, Gregory A.","Phenolate Substituent Effects on Ring-Opening Polymerization of ε-Caprolactone by Aluminum Complexes Bearing 2-(Phenyl-2-olate)-6-(1-amidoalkyl)pyridine Pincers","Organometallics","2013","32","1","249","","10.1021/om301057d","","","0.71073","MoKα","","0.0507","0.0395","","","0.0963","0.1022","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079919","15.399","0.014","16.37","0.015","20.187","0.018","90","","90","","90","","5089","8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H36 Al N3 O -","- C29 H36 Al N3 O -","- C232 H288 Al8 N24 O8 -","8","1","","Alkarekshi, Wafaa; Armitage, Andrew P.; Boyron, Olivier; Davies, Christopher J.; Govere, Matifadza; Gregory, Andrew; Singh, Kuldip; Solan, Gregory A.","Phenolate Substituent Effects on Ring-Opening Polymerization of ε-Caprolactone by Aluminum Complexes Bearing 2-(Phenyl-2-olate)-6-(1-amidoalkyl)pyridine Pincers","Organometallics","2013","32","1","249","","10.1021/om301057d","","","0.71073","MoKα","","0.1935","0.0947","","","0.1935","0.2431","","","","","","0.951","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079920","15.067","0.006","13.208","0.005","15.967","0.007","90","","107.566","0.007","90","","3029","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H44 Al N3 O -","- C33 H44 Al N3 O -","- C132 H176 Al4 N12 O4 -","4","1","","Alkarekshi, Wafaa; Armitage, Andrew P.; Boyron, Olivier; Davies, Christopher J.; Govere, Matifadza; Gregory, Andrew; Singh, Kuldip; Solan, Gregory A.","Phenolate Substituent Effects on Ring-Opening Polymerization of ε-Caprolactone by Aluminum Complexes Bearing 2-(Phenyl-2-olate)-6-(1-amidoalkyl)pyridine Pincers","Organometallics","2013","32","1","249","","10.1021/om301057d","","","0.71073","MoKα","","0.0707","0.0531","","","0.1272","0.1354","","","","","","1.015","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079921","10.266","0.002","12.632","0.003","12.651","0.003","104.828","0.004","110.832","0.004","100","0.005","1417.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H38 Al Cl N3 O2.5 -","- C29 H35 Al Cl N3 O -","- C58 H70 Al2 Cl2 N6 O2 -","2","1","","Alkarekshi, Wafaa; Armitage, Andrew P.; Boyron, Olivier; Davies, Christopher J.; Govere, Matifadza; Gregory, Andrew; Singh, Kuldip; Solan, Gregory A.","Phenolate Substituent Effects on Ring-Opening Polymerization of ε-Caprolactone by Aluminum Complexes Bearing 2-(Phenyl-2-olate)-6-(1-amidoalkyl)pyridine Pincers","Organometallics","2013","32","1","249","","10.1021/om301057d","","","0.71073","MoKα","","0.1305","0.0679","","","0.1199","0.1375","","","","","","0.857","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079922","9.569","0.006","12.089","0.008","13.003","0.008","115.301","0.01","99.181","0.011","96.245","0.011","1315.8","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H35 Al F N3 O -","- C29 H35 Al F N3 O -","- C58 H70 Al2 F2 N6 O2 -","2","1","","Alkarekshi, Wafaa; Armitage, Andrew P.; Boyron, Olivier; Davies, Christopher J.; Govere, Matifadza; Gregory, Andrew; Singh, Kuldip; Solan, Gregory A.","Phenolate Substituent Effects on Ring-Opening Polymerization of ε-Caprolactone by Aluminum Complexes Bearing 2-(Phenyl-2-olate)-6-(1-amidoalkyl)pyridine Pincers","Organometallics","2013","32","1","249","","10.1021/om301057d","","","0.71073","MoKα","","0.0678","0.0504","","","0.1171","0.1238","","","","","","0.974","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079923","17.6486","0.0014","8.641","0.0007","18.162","0.0014","90","","94.198","0.001","90","","2762.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 Al N4 O -","- C30 H37 Al N4 O -","- C120 H148 Al4 N16 O4 -","4","1","","Alkarekshi, Wafaa; Armitage, Andrew P.; Boyron, Olivier; Davies, Christopher J.; Govere, Matifadza; Gregory, Andrew; Singh, Kuldip; Solan, Gregory A.","Phenolate Substituent Effects on Ring-Opening Polymerization of ε-Caprolactone by Aluminum Complexes Bearing 2-(Phenyl-2-olate)-6-(1-amidoalkyl)pyridine Pincers","Organometallics","2013","32","1","249","","10.1021/om301057d","","","0.71073","MoKα","","0.0569","0.0491","","","0.1281","0.1337","","","","","","1.043","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079924","9.4636","0.0009","11.326","0.0011","14.7377","0.0014","95.755","0.002","108.245","0.002","98.832","0.002","1463.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H42 Al N3 O -","- C32 H42 Al N3 O -","- C64 H84 Al2 N6 O2 -","2","1","","Alkarekshi, Wafaa; Armitage, Andrew P.; Boyron, Olivier; Davies, Christopher J.; Govere, Matifadza; Gregory, Andrew; Singh, Kuldip; Solan, Gregory A.","Phenolate Substituent Effects on Ring-Opening Polymerization of ε-Caprolactone by Aluminum Complexes Bearing 2-(Phenyl-2-olate)-6-(1-amidoalkyl)pyridine Pincers","Organometallics","2013","32","1","249","","10.1021/om301057d","","","0.71073","MoKα","","0.0558","0.0468","","","0.1282","0.1335","","","","","","1.065","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079925","9.2662","0.0007","22.9537","0.0018","25.349","0.002","90","","96.21","0.002","90","","5359.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Al Cl N3 O -","- C28 H33 Al Cl N3 O -","- C224 H264 Al8 Cl8 N24 O8 -","8","2","","Alkarekshi, Wafaa; Armitage, Andrew P.; Boyron, Olivier; Davies, Christopher J.; Govere, Matifadza; Gregory, Andrew; Singh, Kuldip; Solan, Gregory A.","Phenolate Substituent Effects on Ring-Opening Polymerization of ε-Caprolactone by Aluminum Complexes Bearing 2-(Phenyl-2-olate)-6-(1-amidoalkyl)pyridine Pincers","Organometallics","2013","32","1","249","","10.1021/om301057d","","","0.71073","MoKα","","0.0715","0.0494","","","0.1324","0.1414","","","","","","0.976","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079926","14.249","0.008","14.679","0.009","15.866","0.009","90","","90.969","0.01","90","","3318","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 Al2 N2 O2 -","- C33 H48 Al2 N2 O2 -","- C132 H192 Al8 N8 O8 -","4","1","","Alkarekshi, Wafaa; Armitage, Andrew P.; Boyron, Olivier; Davies, Christopher J.; Govere, Matifadza; Gregory, Andrew; Singh, Kuldip; Solan, Gregory A.","Phenolate Substituent Effects on Ring-Opening Polymerization of ε-Caprolactone by Aluminum Complexes Bearing 2-(Phenyl-2-olate)-6-(1-amidoalkyl)pyridine Pincers","Organometallics","2013","32","1","249","","10.1021/om301057d","","","0.71073","MoKα","","0.0558","0.046","","","0.1208","0.1267","","","","","","1.028","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079927","12.1918","0.0018","17.462","0.003","16.312","0.003","90","","91.508","0.009","90","","3471.5","1","100","2","100","2","","","","","","","synthesis","5","P 1 21/n 1","-P 2yn","14","N-heterocyclic carbene coordinated with SnCl2","","","- C39 H44 Cl2 N2 Sn -","- C39 H44 Cl2 N2 Sn -","- C156 H176 Cl8 N8 Sn4 -","4","1","","Singh, Amit Pratap; Samuel, Prinson P.; Mondal, Kartik Chandra; Roesky, Herbert W.; Sidhu, Navdeep S.; Dittrich, Birger","Lewis Base Stabilized Group 14 Metalylenes","Organometallics","2013","32","1","354","","10.1021/om301062d","","","1.54178","CuKα","","0.107","0.0683","","","0.1579","0.1761","","","","","","1.876","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079928","9.6658","0.0003","17.4247","0.0005","13.2381","0.0003","90","","104.448","0.0011","90","","2159.1","0.1","100","2","100","2","","","","","","","synthesis","5","P 1 21/n 1","-P 2yn","14","Cyclic alkylaminocarbene coordinated with SnCl2","","","- C20 H31 Cl2 N Sn -","- C20 H31 Cl2 N Sn -","- C80 H124 Cl8 N4 Sn4 -","4","1","","Singh, Amit Pratap; Samuel, Prinson P.; Mondal, Kartik Chandra; Roesky, Herbert W.; Sidhu, Navdeep S.; Dittrich, Birger","Lewis Base Stabilized Group 14 Metalylenes","Organometallics","2013","32","1","354","","10.1021/om301062d","","","1.54178","CuKα","","0.0347","0.0346","","","0.0935","0.0936","","","","","","1.121","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079929","8.2947","0.0005","11.3999","0.0006","18.0571","0.001","85.1","0.0014","83.613","0.0015","66.06","0.0013","1549.35","0.15","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H50 Ru3 -","- C33 Ru3 -","- C66 Ru6 -","2","1","","Tahara, Atsushi; Kajigaya, Mana; Takao, Toshiro; Suzuki, Hiroharu","Synthesis and Dynamic Properties of a Triruthenium Complex Containing μ3-η2(∥)-Ethyne and μ3-Methylidyne Ligands: Equilibrium of an Ethyne‒Hydrido Complex with a Nonclassical μ3-Vinyl Complex","Organometallics","2013","32","1","260","","10.1021/om301064y","","","0.71069","MoKα","","0.0509","0.0415","","","0.1084","0.117","","","","","","1.068","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079930","25.0973","0.0005","11.5168","0.0002","25.4917","0.0005","90","","101.596","0.0007","90","","7217.7","0.2","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H54 Ru3 -","- C39 H42 Ru3 -","- C312 H336 Ru24 -","8","2","","Tahara, Atsushi; Kajigaya, Mana; Takao, Toshiro; Suzuki, Hiroharu","Synthesis and Dynamic Properties of a Triruthenium Complex Containing μ3-η2(∥)-Ethyne and μ3-Methylidyne Ligands: Equilibrium of an Ethyne‒Hydrido Complex with a Nonclassical μ3-Vinyl Complex","Organometallics","2013","32","1","260","","10.1021/om301064y","","","0.71069","MoKα","","0.0406","0.0345","","","0.0795","0.0826","","","","","","1.022","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079931","19.0349","0.0004","10.8512","0.0003","20.362","0.0004","90","","109.87","0.0007","90","","3955.41","0.16","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H63 N Ru3 -","- C44 H63 N Ru3 -","- C176 H252 N4 Ru12 -","4","1","","Tahara, Atsushi; Kajigaya, Mana; Takao, Toshiro; Suzuki, Hiroharu","Synthesis and Dynamic Properties of a Triruthenium Complex Containing μ3-η2(∥)-Ethyne and μ3-Methylidyne Ligands: Equilibrium of an Ethyne‒Hydrido Complex with a Nonclassical μ3-Vinyl Complex","Organometallics","2013","32","1","260","","10.1021/om301064y","","","0.71069","MoKα","","0.0338","0.0306","","","0.0718","0.0736","","","","","","1.034","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079932","13.1916","0.0003","15.5913","0.0004","17.406","0.0004","90","","92.289","0.0008","90","","3577.11","0.15","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H59 N Ru3 -","- C38 H41 N Ru3 -","- C152 H164 N4 Ru12 -","4","1","","Tahara, Atsushi; Kajigaya, Mana; Takao, Toshiro; Suzuki, Hiroharu","Synthesis and Dynamic Properties of a Triruthenium Complex Containing μ3-η2(∥)-Ethyne and μ3-Methylidyne Ligands: Equilibrium of an Ethyne‒Hydrido Complex with a Nonclassical μ3-Vinyl Complex","Organometallics","2013","32","1","260","","10.1021/om301064y","","","0.71069","MoKα","","0.0371","0.0344","","","0.074","0.0751","","","","","","1.13","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079933","22.5033","0.0008","9.8583","0.0004","13.5324","0.0005","90","","90","","90","","3002.1","0.2","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H28 Mo N4 O3 P2 -","- C32 H28 Mo N4 O3 P2 -","- C128 H112 Mo4 N16 O12 P8 -","4","1","","Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides","Organometallics","2013","32","1","289","","10.1021/om301067v","","","0.71073","MoKα","","0.0266","0.0224","","","0.0481","0.0499","","","","","","1.01","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079934","18.5649","0.0007","9.7263","0.0003","19.0379","0.0007","90","","97.867","0.001","90","","3405.3","0.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H60 Cl4 Mo2 N8 O6 P4 -","- C66 H60 Cl4 Mo2 N8 O6 P4 -","- C132 H120 Cl8 Mo4 N16 O12 P8 -","2","0.5","","Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides","Organometallics","2013","32","1","289","","10.1021/om301067v","","","0.71073","MoKα","","0.061","0.0395","","","0.0894","0.0988","","","","","","1.03","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079935","22.1752","0.001","8.6798","0.0004","15.6483","0.0007","90","","104.319","0.001","90","","2918.4","0.2","153","2","153","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H30 Mo N2 O3 P2 -","- C32 H24 Mo N2 O3 P2 -","- C128 H96 Mo4 N8 O12 P8 -","4","1","","Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides","Organometallics","2013","32","1","289","","10.1021/om301067v","","","0.71073","MoKα","","0.0239","0.022","","","0.0523","0.053","","","","","","1.067","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079936","11.9644","0.0005","12.2905","0.0005","13.6395","0.0006","98.602","0.001","105.187","0.001","103.364","0.001","1835.45","0.14","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Mo N2 O6 P2 -","- C40 H36 Mo N2 O6 P2 -","- C80 H72 Mo2 N4 O12 P4 -","2","1","","Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides","Organometallics","2013","32","1","289","","10.1021/om301067v","","","0.71073","MoKα","","0.0355","0.0313","","","0.1053","0.1086","","","","","","1.088","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079937","11.9808","0.001","12.1509","0.001","13.7515","0.0011","100.148","0.001","100.671","0.001","103.831","0.001","1858.6","0.3","153","2","153","1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 N2 O6 P2 W -","- C40 H38 N2 O6 P2 W -","- C80 H76 N4 O12 P4 W2 -","2","1","","Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides","Organometallics","2013","32","1","289","","10.1021/om301067v","","","0.71073","MoKα","","0.0355","0.0281","","","0.0591","0.0615","","","","","","1.014","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079938","16.81","0.003","16.578","0.003","22.578","0.005","90","","90","","90","","6292","2","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 Mo N2 O3 P2 -","- C36 H30 Mo N2 O3 P2 -","- C288 H240 Mo8 N16 O24 P16 -","8","1","","Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides","Organometallics","2013","32","1","289","","10.1021/om301067v","","","0.71073","MoKα","","0.0531","0.0312","","","0.0607","0.0653","","","","","","0.96","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079939","16.766","0.003","16.528","0.003","22.564","0.005","90","","90","","90","","6253","2","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H30 N2 O3 P2 W -","- C36 H30 N2 O3 P2 W -","- C288 H240 N16 O24 P16 W8 -","8","1","","Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt","Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides","Organometallics","2013","32","1","289","","10.1021/om301067v","","","0.71073","MoKα","","0.0493","0.0289","","","0.0603","0.0658","","","","","","0.944","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079940","9.4521","0.0004","9.5618","0.0004","10.8844","0.0007","70.386","0.002","68.533","0.002","66.608","0.004","819.1","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H16 N2 -","- C23 H16 N2 -","- C46 H32 N4 -","2","1","","Chu, Jean-Ho; Wu, Chung-Chiu; Chang, Deng-Hsiang; Lee, Ya-Ming; Wu, Ming-Jung","Direct Ortho Arylation of 9-(Pyridin-2-yl)-9H-carbazoles Bearing a Removable Directing Group via Palladium(II)-Catalyzed C‒H Bond Activation","Organometallics","2013","32","1","272","","10.1021/om301071m","","","0.71073","MoKα","","0.1103","0.0657","","","0.1839","0.2272","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4079941","9.612","0.0007","10.2532","0.0008","21.4325","0.0017","87.865","0.001","80.978","0.001","72.354","0.001","1987.8","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H20 N2 -","- C29 H20 N2 -","- C116 H80 N8 -","4","2","","Chu, Jean-Ho; Wu, Chung-Chiu; Chang, Deng-Hsiang; Lee, Ya-Ming; Wu, Ming-Jung","Direct Ortho Arylation of 9-(Pyridin-2-yl)-9H-carbazoles Bearing a Removable Directing Group via Palladium(II)-Catalyzed C‒H Bond Activation","Organometallics","2013","32","1","272","","10.1021/om301071m","","","0.71073","MoKα","","0.0739","0.0553","","","0.1342","0.1538","","","","","","0.977","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079942","36.7884","0.0012","36.7884","0.0012","13.101","0.0004","90","","90","","120","","15355.2","0.8","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H28 N4 O4 Pd2 -","- C38 H28 N4 O4 Pd2 -","- C684 H504 N72 O72 Pd36 -","18","1","","Chu, Jean-Ho; Wu, Chung-Chiu; Chang, Deng-Hsiang; Lee, Ya-Ming; Wu, Ming-Jung","Direct Ortho Arylation of 9-(Pyridin-2-yl)-9H-carbazoles Bearing a Removable Directing Group via Palladium(II)-Catalyzed C‒H Bond Activation","Organometallics","2013","32","1","272","","10.1021/om301071m","","","0.71073","MoKα","","0.04","0.0291","","","0.0757","0.0793","","","","","","1.071","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079943","12.1819","0.0004","32.5347","0.0014","15.2506","0.0006","90","","106.392","0.002","90","","5798.7","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N4 O6 Pd2 -","- C30 H32 N4 O6 Pd2 -","- C240 H256 N32 O48 Pd16 -","8","2","","Chu, Jean-Ho; Wu, Chung-Chiu; Chang, Deng-Hsiang; Lee, Ya-Ming; Wu, Ming-Jung","Direct Ortho Arylation of 9-(Pyridin-2-yl)-9H-carbazoles Bearing a Removable Directing Group via Palladium(II)-Catalyzed C‒H Bond Activation","Organometallics","2013","32","1","272","","10.1021/om301071m","","","0.71073","MoKα","","0.0962","0.0798","","","0.2167","0.2309","","","","","","1.216","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079944","8.9716","0.0013","13.974","0.002","14.173","0.002","90","","99.419","0.002","90","","1752.9","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 F6 N2 P Ru -","- C15 H21 F6 N2 P Ru -","- C60 H84 F24 N8 P4 Ru4 -","4","1","","Mori, Shotaro; Mochida, Tomoyuki","Preparation and Properties of Cyclopentadienyl Ruthenocenium Complexes with 1,2-Disubstituted Benzene Ligands: Competition between Chelate Coordination and Sandwich Coordination","Organometallics","2013","32","1","283","","10.1021/om301073z","","","0.71073","MoKα","","0.0224","0.0205","","","0.0518","0.0531","","","","","","1.029","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079945","8.3689","0.0016","10.0682","0.0019","10.752","0.002","88.205","0.002","68.977","0.002","84.611","0.002","841.9","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H18 F6 N P Ru S -","- C14 H18 F6 N P Ru S -","- C28 H36 F12 N2 P2 Ru2 S2 -","2","1","","Mori, Shotaro; Mochida, Tomoyuki","Preparation and Properties of Cyclopentadienyl Ruthenocenium Complexes with 1,2-Disubstituted Benzene Ligands: Competition between Chelate Coordination and Sandwich Coordination","Organometallics","2013","32","1","283","","10.1021/om301073z","","","0.71073","MoKα","","0.0256","0.0246","","","0.0611","0.0618","","","","","","1.041","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079946","8.7715","0.0016","10.4845","0.0019","21.328","0.004","90","","98.983","0.002","90","","1937.4","0.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 F6 N P Ru S2 -","- C15 H18 F6 N P Ru S2 -","- C60 H72 F24 N4 P4 Ru4 S8 -","4","1","","Mori, Shotaro; Mochida, Tomoyuki","Preparation and Properties of Cyclopentadienyl Ruthenocenium Complexes with 1,2-Disubstituted Benzene Ligands: Competition between Chelate Coordination and Sandwich Coordination","Organometallics","2013","32","1","283","","10.1021/om301073z","","","0.71073","MoKα","","0.0294","0.0247","","","0.0583","0.0607","","","","","","1.051","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079947","11.465","0.002","14.463","0.003","26.036","0.005","90","","90","","90","","4317.2","1.4","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 Cl2 Co N4 -","- C48 H54 Cl2 Co N4 -","- C192 H216 Cl8 Co4 N16 -","4","1","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","NHC Complexes of Cobalt(II) Relevant to Catalytic C‒C Coupling Reactions","Organometallics","2013","32","3","723","","10.1021/om3010756","","","0.71073","MoKα","","0.0371","0.0355","","","0.0859","0.0872","","","","","","1.002","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079948","11.333","0.002","17.892","0.003","11.264","0.002","90","","114.816","0.002","90","","2073.1","0.6","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl4 Co2 N4 -","- C42 H48 Cl4 Co2 N4 -","- C84 H96 Cl8 Co4 N8 -","2","0.5","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","NHC Complexes of Cobalt(II) Relevant to Catalytic C‒C Coupling Reactions","Organometallics","2013","32","3","723","","10.1021/om3010756","","","0.71073","MoKα","","0.039","0.0378","","","0.1054","0.1069","","","","","","1.002","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079949","20.775","0.004","20.749","0.004","18.77","0.004","90","","108.07","0.03","90","","7692","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Cl Co N2 -","- C21 H24 Cl Co0.5 N2 -","- C336 H384 Cl16 Co8 N32 -","16","2","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","NHC Complexes of Cobalt(II) Relevant to Catalytic C‒C Coupling Reactions","Organometallics","2013","32","3","723","","10.1021/om3010756","","","0.71073","MoKα","","0.1085","0.0938","","","0.2607","0.2732","","","","","","1.015","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079950","20.782","0.003","20.801","0.003","18.742","0.003","90","","107.575","0.002","90","","7724","2","98","2","98","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H54 Co N4 -","- C44 H54 Co N4 -","- C352 H432 Co8 N32 -","8","1","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","NHC Complexes of Cobalt(II) Relevant to Catalytic C‒C Coupling Reactions","Organometallics","2013","32","3","723","","10.1021/om3010756","","","0.71073","MoKα","","0.05","0.0457","","","0.1188","0.123","","","","","","1.007","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079951","10.709","0.002","19.528","0.004","19.484","0.004","90","","102.57","0.03","90","","3976.9","1.4","98","2","98","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H57 Co N2 Si2 -","- C35 H57 Co N2 Si2 -","- C140 H228 Co4 N8 Si8 -","4","0.5","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","NHC Complexes of Cobalt(II) Relevant to Catalytic C‒C Coupling Reactions","Organometallics","2013","32","3","723","","10.1021/om3010756","","","0.71073","MoKα","","0.0494","0.0451","","","0.1231","0.1267","","","","","","1.024","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079952","22.234","0.006","11.708","0.003","15.39","0.004","90","","93.626","0.003","90","","3998.2","1.8","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H49 Co N4 O3 -","- C45 H49 Co N4 O3 -","- C180 H196 Co4 N16 O12 -","4","1","","Przyojski, Jacob A.; Arman, Hadi D.; Tonzetich, Zachary J.","NHC Complexes of Cobalt(II) Relevant to Catalytic C‒C Coupling Reactions","Organometallics","2013","32","3","723","","10.1021/om3010756","","","0.71073","MoKα","","0.0698","0.0582","","","0.1178","0.1254","","","","","","1.05","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079953","15.5624","0.0013","7.2379","0.0006","17.7554","0.0014","90","","98.244","0.001","90","","1979.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H29 Cl2 O3 P Ru -","- C16 H29 Cl2 O3 P Ru -","- C64 H116 Cl8 O12 P4 Ru4 -","4","1","","Knapp, Spring Melody M.; Sherbow, Tobias J.; Yelle, Robert B.; Zakharov, Lev N.; Juliette, J. Jerrick; Tyler, David R.","Mechanistic Investigations and Secondary Coordination Sphere Effects in the Hydration of Nitriles with [Ru(η6-arene)Cl2PR3] Complexes","Organometallics","2013","32","3","824","","10.1021/om301079u","","","0.71073","MoKα","","0.0322","0.0268","","","0.0708","0.0823","","","","","","1.146","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079954","15.8536","0.0001","11.124","0.0001","16.0637","0.0002","90","","108.225","0.0005","90","","2690.81","0.05","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H37 Cl4 N Ni P2 -","- C20 H37 Cl4 N Ni P2 -","- C80 H148 Cl16 N4 Ni4 P8 -","4","2","","Vogt, Matthias; Rivada-Wheelaghan, Orestes; Iron, Mark A.; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","Anionic Nickel(II) Complexes with Doubly Deprotonated PNP Pincer-Type Ligands and Their Reactivity toward CO2","Organometallics","2013","32","1","300","","10.1021/om3010838","","","0.71073","MoKα","","0.0577","0.0478","","","0.1036","0.108","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079955","11.0278","0.0005","13.618","0.0006","30.0929","0.0013","90","","106.252","0.002","90","","4338.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H37 N Ni P2 -","- C20 H37 N Ni P2 -","- C160 H296 N8 Ni8 P16 -","8","2","","Vogt, Matthias; Rivada-Wheelaghan, Orestes; Iron, Mark A.; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","Anionic Nickel(II) Complexes with Doubly Deprotonated PNP Pincer-Type Ligands and Their Reactivity toward CO2","Organometallics","2013","32","1","300","","10.1021/om3010838","","","0.71073","MoKα","","0.0502","0.0348","","","0.0783","0.085","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079956","11.1865","0.0007","16.1597","0.0013","21.9789","0.0016","90","","103.46","0.002","90","","3864","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H66 Li N Ni O6 P2 -","- C32 H66 Li N Ni O6 P2 -","- C128 H264 Li4 N4 Ni4 O24 P8 -","4","1","","Vogt, Matthias; Rivada-Wheelaghan, Orestes; Iron, Mark A.; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","Anionic Nickel(II) Complexes with Doubly Deprotonated PNP Pincer-Type Ligands and Their Reactivity toward CO2","Organometallics","2013","32","1","300","","10.1021/om3010838","","","0.71073","MoKα","","0.0607","0.0333","","","0.0704","0.0809","","","","","","1.012","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079957","11.633","0.002","11.75","0.002","14.916","0.003","84.54","0.02","70.92","0.03","66.44","0.03","1764.7","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H64 Li N Ni O2 P2 -","- C32 H64 Li N Ni O2 P2 -","- C64 H128 Li2 N2 Ni2 O4 P4 -","2","1","","Vogt, Matthias; Rivada-Wheelaghan, Orestes; Iron, Mark A.; Leitus, Gregory; Diskin-Posner, Yael; Shimon, Linda J. W.; Ben-David, Yehoshoa; Milstein, David","Anionic Nickel(II) Complexes with Doubly Deprotonated PNP Pincer-Type Ligands and Their Reactivity toward CO2","Organometallics","2013","32","1","300","","10.1021/om3010838","","","0.71073","MoKα","","0.0503","0.0392","","","0.0971","0.1032","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4079958","18.4774","0.0016","22.385","0.0019","27.557","0.002","99.003","0.004","98.53","0.004","96.578","0.004","11021.8","1.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C342 H502 Br16 N32 O44 S11 -","- C342 H498 Br16 N32 O44 S11 -","- C342 H498 Br16 N32 O44 S11 -","1","0.5","","Bullough, Emma K.; Little, Marc A.; Willans, Charlotte E.","Electrochemical Synthesis of a Tetradentate Copper N-Heterocyclic Carbene Calix[4]arene and Its Transmetalation to Palladium: Activity of the Palladium Complex in Suzuki‒Miyaura Cross-Coupling","Organometallics","2013","32","2","570","","10.1021/om301085s","","","0.71073","MoKα","","0.1237","0.0949","","","0.2802","0.3059","","","","","","1.147","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079959","42.542","0.006","24.032","0.004","14.441","0.002","90","","95.272","0.007","90","","14702","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C206 H277 Br16 N39 O16 Pd8 -","- C206 H277 Br16 N39 O16 Pd8 -","- C412 H554 Br32 N78 O32 Pd16 -","2","0.25","","Bullough, Emma K.; Little, Marc A.; Willans, Charlotte E.","Electrochemical Synthesis of a Tetradentate Copper N-Heterocyclic Carbene Calix[4]arene and Its Transmetalation to Palladium: Activity of the Palladium Complex in Suzuki‒Miyaura Cross-Coupling","Organometallics","2013","32","2","570","","10.1021/om301085s","","","0.71073","MoKα","","0.1069","0.0907","","","0.2486","0.2566","","","","","","1.11","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079960","21.331","0.004","9.6895","0.0017","28.509","0.005","90","","98.402","0.004","90","","5829.2","1.8","140","2","140","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","1Pd","","","- C30 H31 F3 N O3 P Pd S -","- C30 H31 F3 N O3 P Pd S -","- C240 H248 F24 N8 O24 P8 Pd8 S8 -","8","2","","Zingales, Nicholas C.; Shaffer, Andrew R.; Schmidt, Joseph A. R.","Investigation of Steric and Electronic Features of 3-Iminophosphine-Based Palladium Catalysts for Intermolecular Hydroamination","Organometallics","2013","32","2","578","","10.1021/om301102w","","","0.71073","MoKα","","0.0595","0.0432","","","0.1002","0.1097","","","","","","1.014","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079961","10.315","0.002","10.453","0.002","13.04","0.003","73.83","0.03","79.74","0.03","84.99","0.03","1327.7","0.5","140","2","140","2","","","","","","","","8","P -1","-P 1","2","8Pd","","","- C23 H41 F3 N O3 P Pd S -","- C23 H41 F3 N O3 P Pd S -","- C46 H82 F6 N2 O6 P2 Pd2 S2 -","2","1","","Zingales, Nicholas C.; Shaffer, Andrew R.; Schmidt, Joseph A. R.","Investigation of Steric and Electronic Features of 3-Iminophosphine-Based Palladium Catalysts for Intermolecular Hydroamination","Organometallics","2013","32","2","578","","10.1021/om301102w","","","0.71073","MoKα","","0.076","0.0696","","","0.1881","0.1923","","","","","","1.172","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079962","22.407","0.003","11.3067","0.0016","22.479","0.003","90","","91.578","0.001","90","","5692.9","1.3","140","2","140","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","9Pd","","","- C24 H43 F3 N O3 P Pd S -","- C24 H43 F3 N O3 P Pd S -","- C192 H344 F24 N8 O24 P8 Pd8 S8 -","8","2","","Zingales, Nicholas C.; Shaffer, Andrew R.; Schmidt, Joseph A. R.","Investigation of Steric and Electronic Features of 3-Iminophosphine-Based Palladium Catalysts for Intermolecular Hydroamination","Organometallics","2013","32","2","578","","10.1021/om301102w","","","0.71073","MoKα","","0.0574","0.0484","","","0.1296","0.1365","","","","","","1.069","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079963","19.555","0.0002","8.749","0.0002","25.96","0.0007","90","0.0012","95.927","0.0013","90","0.001","4417.67","0.16","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H31 Al N2 O -","- C25 H31 Al N2 O -","- C200 H248 Al8 N16 O8 -","8","1","","Hild, Frédéric; Neehaul, Nirvana; Bier, Frédéric; Wirsum, Morgane; Gourlaouen, Christophe; Dagorne, Samuel","Synthesis and Structural Characterization of Various N,O,N-Chelated Aluminum and Gallium Complexes for the Efficient ROP of Cyclic Esters and Carbonates: How Do Aluminum and Gallium Derivatives Compare ?","Organometallics","2013","32","2","587","","10.1021/om3011068","","","0.71073","MoKα","","0.15","0.075","","","0.1749","0.2046","","","","","","1.021","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079964","10.5947","0.0017","18.82","0.003","31.145","0.005","90","","105.873","0.005","90","","5973.3","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H66 Al2 N4 O4 -","- C58 H66 Al2 N4 O4 -","- C232 H264 Al8 N16 O16 -","4","1","","Hild, Frédéric; Neehaul, Nirvana; Bier, Frédéric; Wirsum, Morgane; Gourlaouen, Christophe; Dagorne, Samuel","Synthesis and Structural Characterization of Various N,O,N-Chelated Aluminum and Gallium Complexes for the Efficient ROP of Cyclic Esters and Carbonates: How Do Aluminum and Gallium Derivatives Compare ?","Organometallics","2013","32","2","587","","10.1021/om3011068","","","0.71073","MoKα","","0.1749","0.0861","","","0.2209","0.249","","","","","","1.046","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079965","9.94","0.005","11.592","0.005","13.262","0.005","94.82","0.05","94.43","0.05","109.98","0.05","1421.9","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H23 Al F6 N2 O6.5 S2 -","- C21 H23 Al F6 N2 O6.5 S2 -","- C42 H46 Al2 F12 N4 O13 S4 -","2","1","","Hild, Frédéric; Neehaul, Nirvana; Bier, Frédéric; Wirsum, Morgane; Gourlaouen, Christophe; Dagorne, Samuel","Synthesis and Structural Characterization of Various N,O,N-Chelated Aluminum and Gallium Complexes for the Efficient ROP of Cyclic Esters and Carbonates: How Do Aluminum and Gallium Derivatives Compare ?","Organometallics","2013","32","2","587","","10.1021/om3011068","","","0.71069","MoKα","","0.1952","0.0902","","","0.2278","0.2563","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079966","14.5386","0.0005","8.8558","0.0003","21.962","0.0006","90","","113.631","0.002","90","","2590.52","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H13 Cl2 F10 Ga N2 O -","- C26 H13 Cl2 F10 Ga N2 O -","- C104 H52 Cl8 F40 Ga4 N8 O4 -","4","1","","Hild, Frédéric; Neehaul, Nirvana; Bier, Frédéric; Wirsum, Morgane; Gourlaouen, Christophe; Dagorne, Samuel","Synthesis and Structural Characterization of Various N,O,N-Chelated Aluminum and Gallium Complexes for the Efficient ROP of Cyclic Esters and Carbonates: How Do Aluminum and Gallium Derivatives Compare ?","Organometallics","2013","32","2","587","","10.1021/om3011068","","","0.71073","MoKα","","0.0579","0.0349","","","0.0752","0.0842","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079967","8.3893","0.0004","41.705","0.002","9.1621","0.0005","90","","93.116","0.001","90","","3200.9","0.3","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 B N2 O2 Pt -","- C35 H33 B N2 O2 Pt -","- C140 H132 B4 N8 O8 Pt4 -","4","1","","Ko, Soo-Byung; Lu, Jia-Sheng; Kang, Youngjin; Wang, Suning","Impact of a Picolinate Ancillary Ligand on Phosphorescence and Fluoride Sensing Properties of BMes2-Functionalized Platinum(II) Compounds","Organometallics","2013","32","2","599","","10.1021/om301112u","","","0.71073","MoKα","","0.0427","0.0347","","","0.0643","0.0663","","","","","","1.132","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079968","8.629","0.005","13.934","0.009","14.256","0.008","111.266","0.008","94.36","0.006","107.869","0.005","1486","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H35 B N2 O2 Pt -","- C36 H35 B N2 O2 Pt -","- C72 H70 B2 N4 O4 Pt2 -","2","1","","Ko, Soo-Byung; Lu, Jia-Sheng; Kang, Youngjin; Wang, Suning","Impact of a Picolinate Ancillary Ligand on Phosphorescence and Fluoride Sensing Properties of BMes2-Functionalized Platinum(II) Compounds","Organometallics","2013","32","2","599","","10.1021/om301112u","","","0.71073","MoKα","","0.0834","0.0723","","","0.1886","0.1984","","","","","","1.036","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079969","17.5561","0.0001","28.53","0.0002","28.6778","0.0002","90","","90","","90","","14364","0.16","173","0.14","173","0.14","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C52 H91 Cl4 Co2 N2 O18 P6 Rh Ru2 -","- C52 H67.5 Cl4 Co2 N2 O18 P6 Rh Ru2 -","- C416 H540 Cl32 Co16 N16 O144 P48 Rh8 Ru16 -","8","2","","Kwan Huang, Enrique; Cheung, Wai-Man; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung","Reactions of a Ruthenium(VI) Nitride with Rhodium(III) and Iridium(III) Aryl Complexes. Insertion of the Ru≡N Group into the Rh‒C Bonds of Trimesitylrhodium(III)","Organometallics","2013","32","3","733","","10.1021/om301114p","","x-ray","1.5418","CuKα","","0.0547","0.0502","","","0.1221","0.1255","","","","","","1.017","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079970","13.1192","0.0005","20.7432","0.0005","25.3514","0.0008","90","","100.786","0.003","90","","6777.1","0.4","173","0.14","173","0.14","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C59 H90 Cl2 Co Ir N3 O14 P3 Ru -","- C59 H90 Cl2 Co Ir N3 O14 P3 Ru -","- C236 H360 Cl8 Co4 Ir4 N12 O56 P12 Ru4 -","4","1","","Kwan Huang, Enrique; Cheung, Wai-Man; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung","Reactions of a Ruthenium(VI) Nitride with Rhodium(III) and Iridium(III) Aryl Complexes. Insertion of the Ru≡N Group into the Rh‒C Bonds of Trimesitylrhodium(III)","Organometallics","2013","32","3","733","","10.1021/om301114p","","","1.5418","CuKα","","0.0792","0.0491","","","0.0945","0.1081","","","","","","1.024","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079971","11.7238","0.0015","9.7832","0.0007","13.0606","0.0016","90","","111.39","0.01","90","","1394.8","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H32 Cl N3 O Ru -","- C33 H32 Cl N3 O Ru -","- C66 H64 Cl2 N6 O2 Ru2 -","2","1","","Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Clavel, Catherine M.; Scopelliti, Rosario; Dyson, Paul J.","Cytotoxicity of Ruthenium‒Arene Complexes Containing β-Ketoamine Ligands","Organometallics","2013","32","1","309","","10.1021/om301115e","","","0.71073","MoKα","","0.0413","0.0371","","","0.0827","0.0846","","","","","","1.183","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079972","11.0725","0.0004","15.21","0.0005","21.3541","0.0007","90","","90","","90","","3596.3","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 Cl4 N3 O Ru -","- C38 H35 Cl4 N3 O Ru -","- C152 H140 Cl16 N12 O4 Ru4 -","4","1","","Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Clavel, Catherine M.; Scopelliti, Rosario; Dyson, Paul J.","Cytotoxicity of Ruthenium‒Arene Complexes Containing β-Ketoamine Ligands","Organometallics","2013","32","1","309","","10.1021/om301115e","","","0.71073","MoKα","","0.0819","0.0549","","","0.1371","0.159","","","","","","1.042","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079973","7.9453","0.0007","10.8254","0.0012","16.0514","0.0018","72.925","0.01","89.4","0.012","80.571","0.008","1300.9","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Cl N3 O Ru -","- C29 H32 Cl N3 O Ru -","- C58 H64 Cl2 N6 O2 Ru2 -","2","1","","Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Clavel, Catherine M.; Scopelliti, Rosario; Dyson, Paul J.","Cytotoxicity of Ruthenium‒Arene Complexes Containing β-Ketoamine Ligands","Organometallics","2013","32","1","309","","10.1021/om301115e","","","0.71073","MoKα","","0.0387","0.0364","","","0.0965","0.0982","","","","","","1.149","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079974","8.4729","0.0008","9.6604","0.0008","20.8289","0.0013","80.919","0.006","79.977","0.006","74.001","0.007","1602.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","2","","Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Clavel, Catherine M.; Scopelliti, Rosario; Dyson, Paul J.","Cytotoxicity of Ruthenium‒Arene Complexes Containing β-Ketoamine Ligands","Organometallics","2013","32","1","309","","10.1021/om301115e","","","0.71073","MoKα","","0.062","0.0436","","","0.0883","0.0993","","","","","","1.076","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079975","7.6107","0.0002","10.8013","0.0003","11.945","0.0003","94.4899","0.0016","92.0898","0.0015","103.319","0.0016","951.09","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Chlorido(η^6^-p-cymene)(tfpb-κ^2^O,O)ruthenium(II)","Chlorido(η^6^-p-isopropyltoluene)(4,4,4-trifluoro-1-phenyl-1,3-butanedionato-κ^2^O,O)ruthenium(II)","","- C20 H20 Cl F3 O2 Ru -","- C20 H20 Cl F3 O2 Ru -","- C40 H40 Cl2 F6 O4 Ru2 -","2","1","","Seršen, Sara; Kljun, Jakob; Požgan, Franc; Štefane, Bogdan; Turel, Iztok","Novel Organoruthenium(II) β-Diketonates as Catalysts for Ortho Arylation via C‒H Activation","Organometallics","2013","32","2","609","","10.1021/om3011189","","","0.71073","MoKα","","0.0336","0.0282","","","0.0658","0.0686","","","","","","1.045","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079976","9.917","0.002","16.127","0.003","13.773","0.003","90","","95.395","0.001","90","","2193","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Chlorido(η^6^-p-cymene)(tfnb-κ^2^O,O)ruthenium(II)","Chlorido(η^6^-p-isopropyltoluene)(4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedionato-κ^2^O,O)ruthenium(II)","","- C24 H22 Cl F3 O2 Ru -","- C24 H22 Cl F3 O2 Ru -","- C96 H88 Cl4 F12 O8 Ru4 -","4","1","","Seršen, Sara; Kljun, Jakob; Požgan, Franc; Štefane, Bogdan; Turel, Iztok","Novel Organoruthenium(II) β-Diketonates as Catalysts for Ortho Arylation via C‒H Activation","Organometallics","2013","32","2","609","","10.1021/om3011189","","","0.71073","MoKα","","0.0359","0.0272","","","0.0643","0.0695","","","","","","1.08","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079977","8.0583","0.0001","14.1389","0.0002","16.3291","0.0002","90","","90","","90","","1860.46","0.04","150","2","150","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","Chlorido(η^6^-p-cymene)(tta-κ^2^O,O)ruthenium(II)","Chlorido(η^6^-p-isopropyltoluene)(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedionato-κ^2^O,O)ruthenium(II)","","- C18 H18 Cl F3 O2 Ru S -","- C18 H18 Cl F3 O2 Ru S -","- C72 H72 Cl4 F12 O8 Ru4 S4 -","4","1","","Seršen, Sara; Kljun, Jakob; Požgan, Franc; Štefane, Bogdan; Turel, Iztok","Novel Organoruthenium(II) β-Diketonates as Catalysts for Ortho Arylation via C‒H Activation","Organometallics","2013","32","2","609","","10.1021/om3011189","","","0.71069","MoKα","","0.022","0.0197","","","0.0453","0.0464","","","","","","1.072","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079978","12.3801","0.0002","9.1099","0.0001","19.0019","0.0004","90","","106.514","0.002","90","","2054.66","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Chlorido(η^6^-p-cymene)(tfbdb-κ^2^O,O)ruthenium(II)","Chlorido(η^6^-p-isopropyltoluene)(4,4,4-trifluoro-1-(benzo[1,3]dioxol-5-yl)-1,3-butanedionato-κ^2^O,O)ruthenium(II)","","- C21 H20 Cl F3 O4 Ru -","- C21 H20 Cl F3 O4 Ru -","- C84 H80 Cl4 F12 O16 Ru4 -","4","1","","Seršen, Sara; Kljun, Jakob; Požgan, Franc; Štefane, Bogdan; Turel, Iztok","Novel Organoruthenium(II) β-Diketonates as Catalysts for Ortho Arylation via C‒H Activation","Organometallics","2013","32","2","609","","10.1021/om3011189","","","0.71073","MoKα","","0.032","0.0256","","","0.0608","0.0656","","","","","","1.052","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079979","12.4788","0.0002","8.6458","0.0001","19.6989","0.0003","90","","107.995","0.002","90","","2021.34","0.06","150","","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Chlorido(η^6^-p-cymene)(tfcpb-κ^2^O,O)ruthenium(II)","Chlorido(η^6^-p-isopropyltoluene)(4,4,4-trifluoro-1-(4-chlorophenyl)-1,3-butanedionato-κ^2^O,O)ruthenium(II)","","- C20 H19 Cl2 F3 O2 Ru -","- C20 H19 Cl2 F3 O2 Ru -","- C80 H76 Cl8 F12 O8 Ru4 -","4","1","","Seršen, Sara; Kljun, Jakob; Požgan, Franc; Štefane, Bogdan; Turel, Iztok","Novel Organoruthenium(II) β-Diketonates as Catalysts for Ortho Arylation via C‒H Activation","Organometallics","2013","32","2","609","","10.1021/om3011189","","","0.71073","MoKα","","0.0313","0.0237","","","0.0516","0.0562","","","","","","1.068","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079980","10.9156","0.0003","9.1901","0.0004","19.1747","0.0008","90","","92.328","0.002","90","","1921.93","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H6 B F12 N -","- C20 H6 B F12 N -","- C80 H24 B4 F48 N4 -","4","1","","Morgan, Matthew M.; Marwitz, Adam J. V.; Piers, Warren E.; Parvez, Masood","Comparative Lewis Acidity in Fluoroarylboranes: B(o-HC6F4)3, B(p-HC6F4)3, and B(C6F5)3","Organometallics","2013","32","1","317","","10.1021/om3011195","","","0.71073","MoKα","","0.1054","0.0726","","","0.1221","0.1376","","","","","","1.177","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079981","12.3768","0.0003","10.4815","0.0002","18.0249","0.0004","90","","92.334","0.0012","90","","2336.38","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 B F12 P -","- C24 H18 B F12 P -","- C96 H72 B4 F48 P4 -","4","1","","Morgan, Matthew M.; Marwitz, Adam J. V.; Piers, Warren E.; Parvez, Masood","Comparative Lewis Acidity in Fluoroarylboranes: B(o-HC6F4)3, B(p-HC6F4)3, and B(C6F5)3","Organometallics","2013","32","1","317","","10.1021/om3011195","","","0.71073","MoKα","","0.0573","0.0458","","","0.1004","0.1081","","","","","","1.061","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079982","9.0403","0.0002","12.501","0.0004","17.3078","0.0006","90","","104.457","0.0016","90","","1894.07","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H6 B F12 N -","- C20 H6 B F12 N -","- C80 H24 B4 F48 N4 -","4","1","","Morgan, Matthew M.; Marwitz, Adam J. V.; Piers, Warren E.; Parvez, Masood","Comparative Lewis Acidity in Fluoroarylboranes: B(o-HC6F4)3, B(p-HC6F4)3, and B(C6F5)3","Organometallics","2013","32","1","317","","10.1021/om3011195","","","0.71073","MoKα","","0.0628","0.0474","","","0.0957","0.1049","","","","","","1.081","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079983","10.6348","0.0005","19.1736","0.001","19.5711","0.001","90","","96.841","0.001","90","","3962.3","0.3","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H51 Ge N3 -","- C48 H51 Ge N3 -","- C192 H204 Ge4 N12 -","4","0.5","","Brown, Zachary D.; Erickson, Jeremy D.; Fettinger, James C.; Power, Philip P.","Facile, High-Yield Functionalization of Germanium and Tin by Oxidative Insertion of Tetrelenes into the E‒H Bonds of Inorganic Acids (E = C, N, O, F): Arene Elimination versus Oxidative Addition and Formation of a Germanium Cation‒Water Complex","Organometallics","2013","32","2","617","","10.1021/om301121x","","","0.71073","MoKα","","0.0613","0.0548","","","0.1099","0.1115","","","","","","1.312","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079984","20.782","0.004","44.041","0.009","8.2142","0.0014","90","","90","","90","","7518","2","90","2","90","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C48 H51 F Ge -","- C48 H51 F Ge -","- C384 H408 F8 Ge8 -","8","0.5","","Brown, Zachary D.; Erickson, Jeremy D.; Fettinger, James C.; Power, Philip P.","Facile, High-Yield Functionalization of Germanium and Tin by Oxidative Insertion of Tetrelenes into the E‒H Bonds of Inorganic Acids (E = C, N, O, F): Arene Elimination versus Oxidative Addition and Formation of a Germanium Cation‒Water Complex","Organometallics","2013","32","2","617","","10.1021/om301121x","","","0.71073","MoKα","","0.0388","0.0357","","","0.0865","0.0884","","","","","","1.039","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079985","12.2686","0.0014","25.414","0.003","15.593","0.0017","90","","94.108","0.002","90","","4849.3","1","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H54 F6 Ge O7 S2 -","- C50 H53.85 F6 Ge O7 S2 -","- C200 H215.4 F24 Ge4 O28 S8 -","4","1","","Brown, Zachary D.; Erickson, Jeremy D.; Fettinger, James C.; Power, Philip P.","Facile, High-Yield Functionalization of Germanium and Tin by Oxidative Insertion of Tetrelenes into the E‒H Bonds of Inorganic Acids (E = C, N, O, F): Arene Elimination versus Oxidative Addition and Formation of a Germanium Cation‒Water Complex","Organometallics","2013","32","2","617","","10.1021/om301121x","","","0.71073","MoKα","","0.0767","0.0523","","","0.1347","0.1521","","","","","","1.014","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079986","20.0006","0.0006","6.4932","0.0002","16.3362","0.0005","90","","94.695","0.001","90","","2114.43","0.11","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H23 Fe P S -","- C25 H23 Fe P S -","- C100 H92 Fe4 P4 S4 -","4","1","","Štěpnička, Petr; Škoch, Karel; Císařová, Ivana","Synthesis, Molecular Structure, and Catalytic Evaluation of Centrostereogenic Ferrocenophane Phosphines","Organometallics","2013","32","2","623","","10.1021/om3011245","","","0.71073","MoKα","","0.019","0.0181","","","0.0464","0.0469","","","","","","1.052","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079987","11.2875","0.0003","13.766","0.0004","14.7211","0.0005","102.974","0.001","109.236","0.001","90.019","0.001","2097.71","0.11","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C50 H46 Cl2 Fe2 P2 Pd -","- C50 H46 Cl2 Fe2 P2 Pd -","- C100 H92 Cl4 Fe4 P4 Pd2 -","2","2","","Štěpnička, Petr; Škoch, Karel; Císařová, Ivana","Synthesis, Molecular Structure, and Catalytic Evaluation of Centrostereogenic Ferrocenophane Phosphines","Organometallics","2013","32","2","623","","10.1021/om3011245","","","0.71073","MoKα","","0.0324","0.0274","","","0.0572","0.059","","","","","","1.009","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079988","14.8971","0.0004","10.5691","0.0003","15.6025","0.0005","90","","99.324","0.001","90","","2424.14","0.12","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H50 Cl6 Fe2 P2 Pd -","- C52 H50 Cl6 Fe2 P2 Pd -","- C104 H100 Cl12 Fe4 P4 Pd2 -","2","1","","Štěpnička, Petr; Škoch, Karel; Císařová, Ivana","Synthesis, Molecular Structure, and Catalytic Evaluation of Centrostereogenic Ferrocenophane Phosphines","Organometallics","2013","32","2","623","","10.1021/om3011245","","","0.71073","MoKα","","0.0193","0.018","","","0.0396","0.0401","","","","","","1.03","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079989","10.8345","0.0003","18.1754","0.0004","19.7106","0.0004","90","","90","","90","","3881.44","0.16","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H37 Cl7 Fe N P Pd -","- C36 H37 Cl7 Fe N P Pd -","- C144 H148 Cl28 Fe4 N4 P4 Pd4 -","4","1","","Štěpnička, Petr; Škoch, Karel; Císařová, Ivana","Synthesis, Molecular Structure, and Catalytic Evaluation of Centrostereogenic Ferrocenophane Phosphines","Organometallics","2013","32","2","623","","10.1021/om3011245","","","0.71073","MoKα","","0.0331","0.0269","","","0.0529","0.0551","","","","","","1.018","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079990","12.288","0.003","9.911","0.002","17.615","0.004","90","","92.71","0.03","90","","2142.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H36 O2.5 P4 Ru -","- C13 H36 O2.5 P4 Ru -","- C52 H144 O10 P16 Ru4 -","4","1","","Field, Leslie D.; Jurd, Peter M.; Magill, Alison M.; Bhadbhade, Mohan M.","Reactions of CO2and CS2with [RuH(η2-CH2PMe2)(PMe3)3]","Organometallics","2013","32","2","636","","10.1021/om3011307","","","0.71073","Synchrotron","","0.0426","0.0405","","","0.0949","0.0958","","","","","","1.147","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4079991","11.744","0.004","8.946","0.003","22.866","0.008","90","","94.403","0.018","90","","2395.3","1.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H36 P4 Ru S4 -","- C14 H36 P4 Ru S4 -","- C56 H144 P16 Ru4 S16 -","4","1","","Field, Leslie D.; Jurd, Peter M.; Magill, Alison M.; Bhadbhade, Mohan M.","Reactions of CO2and CS2with [RuH(η2-CH2PMe2)(PMe3)3]","Organometallics","2013","32","2","636","","10.1021/om3011307","","","0.71073","MoKα","","0.0861","0.0527","","","0.1295","0.1403","","","","","","1.153","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4079992","16.9621","0.0008","16.9621","0.0008","20.3077","0.0005","90","","90","","90","","5842.8","0.4","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","jfc196","","","- C54.25 H84.5 F6 N4 O0.75 Pt -","- C52 H80 F6 N4 Pt -","- C208 H320 F24 N16 Pt4 -","4","0.5","","Berenguer, Jesús R.; Fernández, Julio; Lalinde, Elena; Sánchez, Sergio","New Trans-Configured Acetylide‒Cyanide Platinum(II) Anions: Spectroscopic and Optical Studies","Organometallics","2013","32","3","835","","10.1021/om301134k","","","0.71073","MoKα","","0.0713","0.0474","","","0.1084","0.1177","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079993","36.693","0.003","36.693","0.003","11.829","0.0005","90","","90","","120","","13792.6","1.7","173","1","173","1","","","","","","","","5","R -3 :H","-R 3","148","jfc162","","","- C59.33 H90.67 N4 O Pt -","- C58 H86 N4 Pt -","- C522 H774 N36 Pt9 -","9","0.5","","Berenguer, Jesús R.; Fernández, Julio; Lalinde, Elena; Sánchez, Sergio","New Trans-Configured Acetylide‒Cyanide Platinum(II) Anions: Spectroscopic and Optical Studies","Organometallics","2013","32","3","835","","10.1021/om301134k","","","0.71073","MoKα","","0.1072","0.073","","","0.1581","0.1714","","","","","","1.053","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079994","30.6088","0.0012","17.2715","0.0004","22.9158","0.0009","90","","130.382","0.001","90","","9228.2","0.6","120","1","120","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","jfc164","","","- C48.25 H63.5 N3 O0.75 Pt -","- C48.25 H63.5 N3 O0.75 Pt -","- C386 H508 N24 O6 Pt8 -","8","1","","Berenguer, Jesús R.; Fernández, Julio; Lalinde, Elena; Sánchez, Sergio","New Trans-Configured Acetylide‒Cyanide Platinum(II) Anions: Spectroscopic and Optical Studies","Organometallics","2013","32","3","835","","10.1021/om301134k","","","0.71073","MoKα","","0.0712","0.0486","","","0.1336","0.1503","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4079995","10.5025","0.0003","11.1486","0.0003","17.17","0.0004","97.282","0.002","98.67","0.002","103.088","0.002","1908.59","0.09","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H41 Ge Mo N O3 Si -","- C44 H41 Ge Mo N O3 Si -","- C88 H82 Ge2 Mo2 N2 O6 Si2 -","2","1","","Hicks, Jamie; Hadlington, Terrance J.; Schenk, Christian; Li, Jiaye; Jones, Cameron","Utilizing Steric Bulk to Stabilize Molybdenum Aminogermylyne and Aminogermylene Complexes","Organometallics","2013","32","1","323","","10.1021/om301144h","","","0.71073","MoKα","","0.0334","0.0267","","","0.0618","0.0657","","","","","","1.035","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079996","9.6979","0.0006","14.1058","0.0009","14.7614","0.001","97.177","0.004","94.713","0.004","107.018","0.003","1900.7","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H37 Ge Mo N O3 -","- C47 H37 Ge Mo N O3 -","- C94 H74 Ge2 Mo2 N2 O6 -","2","1","","Hicks, Jamie; Hadlington, Terrance J.; Schenk, Christian; Li, Jiaye; Jones, Cameron","Utilizing Steric Bulk to Stabilize Molybdenum Aminogermylyne and Aminogermylene Complexes","Organometallics","2013","32","1","323","","10.1021/om301144h","","","0.71073","MoKα","","0.0668","0.041","","","0.0869","0.0969","","","","","","1.022","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079997","10.4466","0.0004","10.7223","0.0003","18.7882","0.0006","92.295","0.003","103.169","0.003","111.411","0.003","1890.03","0.12","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H41 Ge Mo N O2 Si -","- C43 H41 Ge Mo N O2 Si -","- C86 H82 Ge2 Mo2 N2 O4 Si2 -","2","1","","Hicks, Jamie; Hadlington, Terrance J.; Schenk, Christian; Li, Jiaye; Jones, Cameron","Utilizing Steric Bulk to Stabilize Molybdenum Aminogermylyne and Aminogermylene Complexes","Organometallics","2013","32","1","323","","10.1021/om301144h","","","0.71073","MoKα","","0.0509","0.0387","","","0.0974","0.1053","","","","","","1.025","","","","has coordinates","178688","2020-10-21","18:00:00",""
"4079998","18.0319","0.0012","21.0177","0.0013","7.8317","0.0005","90","","90","","90","","2968.1","0.3","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C39 H33 N -","- C39 H33 N -","- C156 H132 N4 -","4","0.5","","Hicks, Jamie; Hadlington, Terrance J.; Schenk, Christian; Li, Jiaye; Jones, Cameron","Utilizing Steric Bulk to Stabilize Molybdenum Aminogermylyne and Aminogermylene Complexes","Organometallics","2013","32","1","323","","10.1021/om301144h","","","0.71073","MoKα","","0.0643","0.0417","","","0.0983","0.1112","","","","","","1.021","","","","has coordinates,has disorder","178688","2020-10-21","18:00:00",""
"4079999","11.2582","0.0007","25.6213","0.001","11.5338","0.0005","90","","110.608","0.006","90","","3114","0.3","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H39 N -","- C42 H39 N -","- C168 H156 N4 -","4","1","","Hicks, Jamie; Hadlington, Terrance J.; Schenk, Christian; Li, Jiaye; Jones, Cameron","Utilizing Steric Bulk to Stabilize Molybdenum Aminogermylyne and Aminogermylene Complexes","Organometallics","2013","32","1","323","","10.1021/om301144h","","","0.71073","MoKα","","0.0761","0.0477","","","0.1035","0.1179","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080000","9.8642","0.0016","33.579","0.005","10.1044","0.0016","90","","103.159","0.002","90","","3259","0.9","293.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 P Rh -","- C43 H40 P Rh -","- C172 H160 P4 Rh4 -","4","1","","Onishi, Naoya; Shiotsuki, Masashi; Masuda, Toshio; Sano, Natsuhiro; Sanda, Fumio","Polymerization of Phenylacetylenes Using Rhodium Catalysts Coordinated by Norbornadiene Linked to a Phosphino or Amino Group","Organometallics","2013","32","3","846","","10.1021/om301147n","","","0.7107","MoKα","","","0.0452","","","","0.0536","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080001","10.4067","0.0004","20.6887","0.0007","17.0126","0.0005","90","","96.49","","90","","3639.4","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39.5 H33 Fe Ga O5 P2 W -","- C39.5 H29 Fe Ga O5 P2 W -","- C158 H116 Fe4 Ga4 O20 P8 W4 -","4","1","","Muraoka, Takako; Motohashi, Hideaki; Tomura, Hiroki; Ueno, Keiji","Photoinduced Formal Gallylene Transfer from Gallium-Bridged Dimetallic Complexes to 16-Electron Metal Fragments","Organometallics","2013","32","2","643","","10.1021/om301148y","","","0.71073","MoKα","","0.031","0.0307","","","0.0728","0.073","","","","","","1.309","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080002","14.7453","0.0014","14.752","0.004","17.575","0.004","82.28","0.04","85.75","0.04","63.85","0.03","3400.1","1.6","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H62 Cl4 Fe4 Ga2 O7 P4 -","- C70.221 H60.442 Cl2.442 Fe4 Ga2 O7 P4 -","- C140.442 H120.884 Cl4.884 Fe8 Ga4 O14 P8 -","2","1","","Muraoka, Takako; Motohashi, Hideaki; Tomura, Hiroki; Ueno, Keiji","Photoinduced Formal Gallylene Transfer from Gallium-Bridged Dimetallic Complexes to 16-Electron Metal Fragments","Organometallics","2013","32","2","643","","10.1021/om301148y","","","0.71073","MoKα","","0.0541","0.0524","","","0.1229","0.1239","","","","","","1.066","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080003","9.7462","0.0004","18.4867","0.0006","17.0096","0.0007","90","","97.57","0.002","90","","3038","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 N4 Si2 -","- C30 H42 N4 Si2 -","- C120 H168 N16 Si8 -","4","1","","Azhakar, Ramachandran; Roesky, Herbert W.; Holstein, Julian J.; Pröpper, Kevin; Dittrich, Birger","Reactivity Studies of Heteroleptic Silylenes PhC(NtBu)2SiX (X = NPh2, NMe2) toward Selected Azides","Organometallics","2013","32","1","358","","10.1021/om301149q","","","1.54178","CuKα","","0.0562","0.0523","","","0.1387","0.1431","","","","","","1.061","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080004","10.8224","0.0002","11.3612","0.0002","17.1797","0.0003","97.594","0.001","90.332","0.001","117.158","0.001","1857.73","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 N4 Si -","- C44 H56 N4 Si -","- C88 H112 N8 Si2 -","2","1","","Azhakar, Ramachandran; Roesky, Herbert W.; Holstein, Julian J.; Pröpper, Kevin; Dittrich, Birger","Reactivity Studies of Heteroleptic Silylenes PhC(NtBu)2SiX (X = NPh2, NMe2) toward Selected Azides","Organometallics","2013","32","1","358","","10.1021/om301149q","","","1.54178","CuKα","","0.0423","0.0392","","","0.0997","0.1179","","","","","","1.139","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080005","17.4541","0.001","11.4512","0.0007","13.5293","0.0009","90","","103.587","0.004","90","","2628.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H44 N4 Si -","- C27 H44 N4 Si -","- C108 H176 N16 Si4 -","4","1","","Azhakar, Ramachandran; Roesky, Herbert W.; Holstein, Julian J.; Pröpper, Kevin; Dittrich, Birger","Reactivity Studies of Heteroleptic Silylenes PhC(NtBu)2SiX (X = NPh2, NMe2) toward Selected Azides","Organometallics","2013","32","1","358","","10.1021/om301149q","","","1.54178","CuKα","","0.1225","0.0974","","","0.2171","0.2341","","","","","","1.073","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080006","8.3333","0.0009","7.2581","0.0006","10.0435","0.0012","90","","95.211","0.013","90","","604.96","0.11","291","2","291","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H11 B F4 N2 O -","- C10 H11 B F4 N2 O -","- C20 H22 B2 F8 N4 O2 -","2","0.5","","Makhloufi, Abdelaziz; Wahl, Michaela; Frank, Walter; Ganter, Christian","A New Mixed Amino‒Amido N-Heterocyclic Carbene Based on Anthranilic Acid","Organometallics","2013","32","3","854","","10.1021/om301152n","","","0.71073","MoKα","","0.1048","0.064","","","0.1906","0.2089","","","","","","1.231","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080007","20.1622","0.0007","12.1379","0.0005","14.1601","0.0004","90","","101.067","0.003","90","","3400.9","0.2","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cl N2 O Rh -","- C18 H22 Cl N2 O Rh -","- C144 H176 Cl8 N16 O8 Rh8 -","8","1","","Makhloufi, Abdelaziz; Wahl, Michaela; Frank, Walter; Ganter, Christian","A New Mixed Amino‒Amido N-Heterocyclic Carbene Based on Anthranilic Acid","Organometallics","2013","32","3","854","","10.1021/om301152n","","","0.71073","MoKα","","0.0452","0.0374","","","0.0847","0.0875","","","","","","1.327","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080008","17.1083","0.0016","12.8138","0.0012","19.7853","0.0019","90","","92.926","0.005","90","","4331.7","0.7","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl N2 O Rh -","- C24 H26 Cl N2 O Rh -","- C192 H208 Cl8 N16 O8 Rh8 -","8","2","","Makhloufi, Abdelaziz; Wahl, Michaela; Frank, Walter; Ganter, Christian","A New Mixed Amino‒Amido N-Heterocyclic Carbene Based on Anthranilic Acid","Organometallics","2013","32","3","854","","10.1021/om301152n","","","0.71073","MoKα","","0.0264","0.0231","","","0.0591","0.0617","","","","","","1.054","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080009","12.6788","0.0009","10.9654","0.0008","19.9135","0.0015","90","","94.087","0.004","90","","2761.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Nb Si2 -","- C30 H39 Nb Si2 -","- C120 H156 Nb4 Si8 -","4","1","","Antiñolo, Antonio; Pérez-Flores, Juan-Carlos; Hervás, Maria Jesús; García-Yuste, Santiago; López-Solera, Maria Isabel; Otero, Antonio; Fernández-Pacheco, Ana Rodríguez; Tercero-Morales, Maria Teresa","Synthesis and Reactivity of New Niobocene Hydride-Stibine and Hydride-Stilbene Complexes. X-ray Crystal Structure of [Nb(η5-C5H4SiMe3)2(H)(trans-η2-C,C-PhCH═CHPh)]","Organometallics","2013","32","3","862","","10.1021/om301171j","","","0.71073","MoKα","","0.0715","0.0451","","","0.1079","0.1276","","","","","","1.09","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080010","7.6259","0.0005","10.0665","0.0007","10.3029","0.0007","83.737","0.003","89.752","0.003","78.724","0.003","770.9","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H23 Br2 N2 Pt -","- C10 H23 Br2 N2 Pt -","- C20 H46 Br4 N4 Pt2 -","2","1","","Béthegnies, Aurélien; Daran, Jean-Claude; Poli, Rinaldo","Platinum-Catalyzed Hydroamination of Ethylene: Study of the Catalyst Decomposition Mechanism","Organometallics","2013","32","2","673","","10.1021/om301182x","","","0.71073","MoKα","","0.0438","0.0406","","","0.1024","0.1037","","","","","","1.071","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080011","9.4963","0.0004","17.4039","0.0006","15.2525","0.0006","90","","97.676","0.004","90","","2498.23","0.17","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br2 N2 Pt -","- C10 H10 Br2 N2 Pt -","- C80 H80 Br16 N16 Pt8 -","8","1","","Béthegnies, Aurélien; Daran, Jean-Claude; Poli, Rinaldo","Platinum-Catalyzed Hydroamination of Ethylene: Study of the Catalyst Decomposition Mechanism","Organometallics","2013","32","2","673","","10.1021/om301182x","","","0.71073","MoKα","","0.0383","0.0353","","","0.1091","0.1116","","","","","","1.11","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080012","15.224","0.003","20.393","0.003","21.991","0.003","90","","107.692","0.004","90","","6504.5","1.8","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H63 Cl N2 O4 Pd -","- C74 H63 Cl N2 O4 Pd -","- C296 H252 Cl4 N8 O16 Pd4 -","4","1","","Meiries, Sebastien; Speck, Klaus; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.","[Pd(IPr*OMe)(acac)Cl]: Tuning the N-Heterocyclic Carbene in Catalytic C‒N Bond Formation","Organometallics","2013","32","1","330","","10.1021/om3011867","","","0.71073","MoKα","","0.0953","0.0756","","","0.2339","0.2508","","","","","","1.078","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080013","11.991","0.003","27.222","0.007","19.274","0.005","90","","101.754","0.003","90","","6159","3","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H62 N2 Ni O5 -","- C78 H62 N2 Ni O5 -","- C312 H248 N8 Ni4 O20 -","4","1","","Meiries, Sebastien; Speck, Klaus; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.","[Pd(IPr*OMe)(acac)Cl]: Tuning the N-Heterocyclic Carbene in Catalytic C‒N Bond Formation","Organometallics","2013","32","1","330","","10.1021/om3011867","","","0.71075","MoKα","","","0.0666","","","","0.1595","","","","","","1.363","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080014","9.6598","0.0003","13.2279","0.0003","20.7805","0.0007","90","","90","","90","","2655.31","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 K O6 -","- C25 H43 K O6 -","- C100 H172 K4 O24 -","4","1","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","0.71073","MoKα","","0.0553","0.0371","","","0.0683","0.0743","","","","","","1.015","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4080015","12.1532","0.0002","14.9904","0.0004","24.2244","0.0006","90","","90","","90","","4413.23","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Ti -","- C26 H38 Ti -","- C208 H304 Ti8 -","8","2","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","0.71073","MoKα","","0.0458","0.0347","","","0.0652","0.0684","","","","","","1.042","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080016","12.0837","0.0002","14.9805","0.0002","24.2167","0.0002","90","","90","","90","","4383.7","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 V -","- C26 H38 V -","- C208 H304 V8 -","8","2","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","1.54184","CuKα","","0.0188","0.0187","","","0.0501","0.0502","","","","","","1.039","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080017","12.0216","0.0002","14.8368","0.0002","24.5563","0.0002","90","","90","","90","","4379.91","0.1","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Cr -","- C26 H38 Cr -","- C208 H304 Cr8 -","8","2","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","1.54184","CuKα","","0.0199","0.0197","","","0.0521","0.0522","","","","","","1.026","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080018","8.7907","0.0002","11.5333","0.0002","11.5809","0.0002","90","","111.23","0.002","90","","1094.45","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 Fe -","- C26 H38 Fe -","- C52 H76 Fe2 -","2","1","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","1.54184","CuKα","","0.0248","0.0243","","","0.0615","0.0619","","","","","","1.055","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080019","9.5922","0.0002","14.8818","0.0004","18.3651","0.0004","90","","90","","90","","2621.6","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 Fe -","- C30 H48 Fe -","- C120 H192 Fe4 -","4","1","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","0.71073","MoKα","","0.0334","0.0279","","","0.0594","0.0614","","","","","","1.045","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080020","8.0907","0.0002","10.9532","0.0002","18.8076","0.0004","90","","90","","90","","1666.71","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Zr -","- C20 H26 Zr -","- C80 H104 Zr4 -","4","1","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","0.71073","MoKα","","0.0149","0.0142","","","0.035","0.0353","","","","","","1.061","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080021","8.3693","0.0002","24.3239","0.0002","9.5464","0.0002","90","","115.328","0.002","90","","1756.59","0.06","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H31 Ir -","- C21 H31 Ir -","- C84 H124 Ir4 -","4","2","","Fecker, Ann Christin; Glückner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Synthesis and Coordination Chemistry of an Enantiomerically Pure Pentadienyl Ligand","Organometallics","2013","32","3","874","","10.1021/om301189g","","","0.71073","MoKα","","0.013","0.0128","","","0.0305","0.0305","","","","","","1.158","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080022","10.528","0.005","11.752","0.006","12.215","0.006","93.176","0.01","113.954","0.011","102.384","0.01","1331.7","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 Fe N5 Si -","- C30 H35 Fe N5 Si -","- C60 H70 Fe2 N10 Si2 -","2","1","","Sauer, Désirée C.; Kruck, Matthias; Wadepohl, Hubert; Enders, Markus; Gade, Lutz H.","Spin Density Distribution in Iron(II) and Cobalt(II) Alkyl Complexes Containing 1,3-Bis(2-pyridylimino)isoindolate Ligands","Organometallics","2013","32","3","885","","10.1021/om301198b","","x-ray","0.71073","MoKα","","0.0473","0.0355","","","0.0914","0.1001","","","","","","1.046","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080023","10.0361","0.0003","19.7005","0.0006","16.0296","0.0005","90","","107.696","0.001","90","","3019.35","0.16","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 B N8 O P W -","- C30 H34 B N8 O P W -","- C120 H136 B4 N32 O4 P4 W4 -","4","1","","Pienkos, Jared A.; Zottig, Victor E.; Iovan, Diana A.; Li, Mengxun; Harrison, Daniel P.; Sabat, Michal; Salomon, Rebecca J.; Strausberg, Laura; Teran, Victor A.; Myers, William H.; Harman, W. Dean","Friedel‒Crafts Ring-Coupling Reactions Promoted by Tungsten Dearomatization Agent","Organometallics","2013","32","2","691","","10.1021/om3012008","","","0.71073","MoKα","","0.0297","0.0225","","","0.0723","0.0827","","","","","","0.972","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080024","8.688","0.001","15.088","0.001","18.793","0.0002","90","","91.493","0.001","90","","2462.6","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 B N7 O4 P W -","- C19 H29 B N7 O4 P W -","- C76 H116 B4 N28 O16 P4 W4 -","4","1","","Pienkos, Jared A.; Zottig, Victor E.; Iovan, Diana A.; Li, Mengxun; Harrison, Daniel P.; Sabat, Michal; Salomon, Rebecca J.; Strausberg, Laura; Teran, Victor A.; Myers, William H.; Harman, W. Dean","Friedel‒Crafts Ring-Coupling Reactions Promoted by Tungsten Dearomatization Agent","Organometallics","2013","32","2","691","","10.1021/om3012008","","","0.71074","MoKα","","0.078","0.039","","","0.0954","0.1073","","","","","","1.033","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080025","10.2049","0.0002","20.5939","0.0003","14.913","0.0002","90","","105.31","0.001","90","","3022.87","0.09","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 B Cl3 N8 O2 P W -","- C23 H31 B Cl3 N8 O2 P W -","- C92 H124 B4 Cl12 N32 O8 P4 W4 -","4","1","","Pienkos, Jared A.; Zottig, Victor E.; Iovan, Diana A.; Li, Mengxun; Harrison, Daniel P.; Sabat, Michal; Salomon, Rebecca J.; Strausberg, Laura; Teran, Victor A.; Myers, William H.; Harman, W. Dean","Friedel‒Crafts Ring-Coupling Reactions Promoted by Tungsten Dearomatization Agent","Organometallics","2013","32","2","691","","10.1021/om3012008","","","0.71073","MoKα","","0.0259","0.0239","","","0.0973","0.1","","","","","","0.981","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080026","19.757","0.0003","16.5592","0.0002","14.7772","0.0002","90","","127.331","0.001","90","","3844.14","0.1","153","2","153","2","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C30 H42 B Cl F3 N8 O7 P S W -","- C30 H42 B Cl F3 N8 O7 P S W -","- C120 H168 B4 Cl4 F12 N32 O28 P4 S4 W4 -","4","1","","Pienkos, Jared A.; Zottig, Victor E.; Iovan, Diana A.; Li, Mengxun; Harrison, Daniel P.; Sabat, Michal; Salomon, Rebecca J.; Strausberg, Laura; Teran, Victor A.; Myers, William H.; Harman, W. Dean","Friedel‒Crafts Ring-Coupling Reactions Promoted by Tungsten Dearomatization Agent","Organometallics","2013","32","2","691","","10.1021/om3012008","","","0.71073","MoKα","","0.0212","0.0204","","","0.0583","0.0597","","","","","","1.022","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080027","24.9664","0.0008","11.5356","0.0004","25.4235","0.0011","90","","101.555","0.0012","90","","7173.6","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H55 B Ru3 -","- C38 H20.5 B Ru3 -","- C304 H164 B8 Ru24 -","8","2","","Kaneko, Takeshi; Suwa, Hitoshi; Takao, Toshiro; Suzuki, Hiroharu","Intramolecular Borylene Transfer Leading to the Formation of a μ3-BC2Ring on a Triruthenium Cluster","Organometallics","2013","32","3","737","","10.1021/om3012079","","","0.71069","MoKα","","0.0672","0.0612","","","0.2004","0.2065","","","","","","0.647","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080028","17.183","0.0009","17.9901","0.0011","11.57","0.0006","90","","103.24","0.0016","90","","3481.5","0.3","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C38 H53 B Ru3 -","- C38 H3 B Ru3 -","- C152 H12 B4 Ru12 -","4","0.5","","Kaneko, Takeshi; Suwa, Hitoshi; Takao, Toshiro; Suzuki, Hiroharu","Intramolecular Borylene Transfer Leading to the Formation of a μ3-BC2Ring on a Triruthenium Cluster","Organometallics","2013","32","3","737","","10.1021/om3012079","","","0.71069","MoKα","","0.0506","0.0446","","","0.1405","0.1465","","","","","","1.176","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080029","11.4185","0.0004","20.6949","0.0008","15.3392","0.0006","90","","101.894","0.0011","90","","3546.9","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H55 B Ru3 -","- C38 H53 B Ru3 -","- C152 H212 B4 Ru12 -","4","1","","Kaneko, Takeshi; Suwa, Hitoshi; Takao, Toshiro; Suzuki, Hiroharu","Intramolecular Borylene Transfer Leading to the Formation of a μ3-BC2Ring on a Triruthenium Cluster","Organometallics","2013","32","3","737","","10.1021/om3012079","","","0.71069","MoKα","","0.0448","0.0372","","","0.0996","0.1092","","","","","","0.544","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080030","18.515","0.004","15.392","0.002","21.541","0.004","90","","92.407","0.007","90","","6133.4","1.9","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H72 Fe2 N6 O7 -","- C70 H72 Fe2 N6 O7 -","- C280 H288 Fe8 N24 O28 -","4","1","","Warratz, Svenja; Postigo, Lorena; Royo, Beatriz","Direct Synthesis of Iron(0) N-Heterocyclic Carbene Complexes by Using Fe3(CO)12and Their Application in Reduction of Carbonyl Groups","Organometallics","2013","32","3","893","","10.1021/om3012085","","x-ray","0.7107","MoKα","","0.1306","0.0655","","","0.1328","0.1654","","","","","","1.019","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080031","18.3918","0.0012","16.4072","0.0008","7.5657","0.0004","90","0","99.686","0.002","90","0","2250.5","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Fe N2 O4 -","- C25 H24 Fe N2 O4 -","- C100 H96 Fe4 N8 O16 -","4","1","","Warratz, Svenja; Postigo, Lorena; Royo, Beatriz","Direct Synthesis of Iron(0) N-Heterocyclic Carbene Complexes by Using Fe3(CO)12and Their Application in Reduction of Carbonyl Groups","Organometallics","2013","32","3","893","","10.1021/om3012085","","x-ray","0.7107","MoKα","","0.0411","0.0324","","","0.0774","0.0822","","","","","","1.038","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080032","11.4211","0.0006","12.7243","0.0006","14.0664","0.0007","113.428","0.002","103.894","0.002","92.722","0.002","1797.2","0.16","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C38 H34 Cl3 Cu P2 Si -","- C38 H34 Cl3 Cu P2 Si -","- C76 H68 Cl6 Cu2 P4 Si2 -","2","1","","Joost, Maximilian; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","σ-SiH Complexes of Copper: Experimental Evidence and Computational Analysis","Organometallics","2013","32","3","898","","10.1021/om301211c","","x-ray","0.71073","MoKα","","0.0297","0.0281","","","0.0751","0.0768","","","","","","1.037","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080033","10.467","0.0004","12.3178","0.0004","16.7001","0.0006","107.352","0.002","91.413","0.002","99.282","0.002","2022.19","0.13","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C38 H34 Cl6 Cu Ga P2 Si -","- C38 H34 Cl6 Cu Ga P2 Si -","- C76 H68 Cl12 Cu2 Ga2 P4 Si2 -","2","1","","Joost, Maximilian; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","σ-SiH Complexes of Copper: Experimental Evidence and Computational Analysis","Organometallics","2013","32","3","898","","10.1021/om301211c","","x-ray","0.71073","MoKα","","0.0475","0.0342","","","0.0866","0.0937","","","","","","1.026","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080034","25.7847","0.0006","9.9052","0.0002","16.9885","0.0004","90","","90","","90","","4338.91","0.17","193","2","193","2","","","","","","","synthesis as described","8","P n a 21","P 2c -2n","33","","","","- C39.35 H37.6 Au Cl5.1 Ga O0.45 P2 Si -","- C39.35 H37.6 Au Cl5.1 Ga O0.45 P2 Si -","- C157.4 H150.4 Au4 Cl20.4 Ga4 O1.8 P8 Si4 -","4","1","","Joost, Maximilian; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier","σ-SiH Complexes of Copper: Experimental Evidence and Computational Analysis","Organometallics","2013","32","3","898","","10.1021/om301211c","","x-ray","0.71073","MoKα","","0.0401","0.027","","","0.0543","0.0582","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080035","12.5606","0.0011","12.9986","0.0012","13.2163","0.0012","117.132","0.004","98.286","0.004","105.827","0.004","1754.4","0.3","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H48 Cl N5 O13 Ru S2 -","- C27 H48 Cl N5 O13 Ru S2 -","- C54 H96 Cl2 N10 O26 Ru2 S4 -","2","1","","Jantke, Dominik; Cokoja, Mirza; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E.","Synthesis and Characterization of Highly Water Soluble Ruthenium(II) and Osmium(II) Complexes Bearing Chelating Sulfonated N-Heterocyclic Carbene Ligands","Organometallics","2013","32","3","741","","10.1021/om301218k","","x-ray","0.71073","MoKα","","0.039","0.0293","","","0.0621","0.0654","","","","","","1.03","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080036","9.8541","0.0007","12.92","0.001","13.3236","0.001","107.902","0.005","104.282","0.005","94.798","0.005","1540.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[(hapto^6^-p-Cymene)(6-chloro-11h-indolo[3,2-c]quinolin-2-yl)- (1-kappaN-pyridin-2-yl-methylidene)-kappaN-amine-chloridoruthenium(II)]chloride","","- C31 H35 Cl3 N4 O4 Ru -","- C31 H35 Cl3 N4 O4 Ru -","- C62 H70 Cl6 N8 O8 Ru2 -","2","1","","Filak, Lukas K.; Göschl, Simone; Heffeter, Petra; Ghannadzadeh Samper, Katia; Egger, Alexander E.; Jakupec, Michael A.; Keppler, Bernhard K.; Berger, Walter; Arion, Vladimir B.","Metal‒Arene Complexes with Indolo[3,2-c]-quinolines: Effects of Ruthenium vs Osmium and Modifications of the Lactam Unit on Intermolecular Interactions, Anticancer Activity, Cell Cycle, and Cellular Accumulation","Organometallics","2013","32","3","903","","10.1021/om3012272","","","0.71073","MoKα","","0.1361","0.0566","","","0.1027","0.1283","","","","","","1.001","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080037","17.7577","0.0011","9.4186","0.0005","18.9531","0.0012","90","","90.097","0.002","90","","3170","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(hapto^6^-p-Cymene)(5,11-dihydroindolo[3,2-c]quinolin-6-one-2-yl)- (1-kappaN-pyridin-2-yl-methylidene)-kappaN-amine-chloridoruthenium(II)]chloride","","- C33 H36 Cl2 N4 O3 Ru -","- C33 H36 Cl2 N4 O3 Ru -","- C132 H144 Cl8 N16 O12 Ru4 -","4","1","","Filak, Lukas K.; Göschl, Simone; Heffeter, Petra; Ghannadzadeh Samper, Katia; Egger, Alexander E.; Jakupec, Michael A.; Keppler, Bernhard K.; Berger, Walter; Arion, Vladimir B.","Metal‒Arene Complexes with Indolo[3,2-c]-quinolines: Effects of Ruthenium vs Osmium and Modifications of the Lactam Unit on Intermolecular Interactions, Anticancer Activity, Cell Cycle, and Cellular Accumulation","Organometallics","2013","32","3","903","","10.1021/om3012272","","","0.71073","MoKα","","0.0747","0.0449","","","0.1059","0.1148","","","","","","1.028","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080038","11.998","0.003","21.243","0.004","12.307","0.002","90","","90.084","0.007","90","","3136.7","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(hapto^6^-p-Cymene)(11h-indolo[3,2-c]quinolin-2-yl)- (1-kappaN-pyridin-2-yl-methylidene)-kappaN-amine-chloridoruthenium(II)]chloride","","- C32 H36 Cl2 N4 O3 Ru -","- C32 H36 Cl2 N4 O3 Ru -","- C128 H144 Cl8 N16 O12 Ru4 -","4","1","","Filak, Lukas K.; Göschl, Simone; Heffeter, Petra; Ghannadzadeh Samper, Katia; Egger, Alexander E.; Jakupec, Michael A.; Keppler, Bernhard K.; Berger, Walter; Arion, Vladimir B.","Metal‒Arene Complexes with Indolo[3,2-c]-quinolines: Effects of Ruthenium vs Osmium and Modifications of the Lactam Unit on Intermolecular Interactions, Anticancer Activity, Cell Cycle, and Cellular Accumulation","Organometallics","2013","32","3","903","","10.1021/om3012272","","","0.71073","MoKα","","0.111","0.0756","","","0.1947","0.2118","","","","","","1.053","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080039","17.7341","0.0018","9.5157","0.0009","19.07","0.002","90","","90.096","0.007","90","","3218.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(hapto^6^-p-Cymene)(5,11-dihydroindolo[3,2-c]quinolin-6-one-2-yl)- (1-kappaN-pyridin-2-yl-methylidene)-kappaN-amine-chloridoosmium(II)]chloride","","- C33 H36 Cl2 N4 O3 Os -","- C33 H36 Cl2 N4 O3 Os -","- C132 H144 Cl8 N16 O12 Os4 -","4","1","","Filak, Lukas K.; Göschl, Simone; Heffeter, Petra; Ghannadzadeh Samper, Katia; Egger, Alexander E.; Jakupec, Michael A.; Keppler, Bernhard K.; Berger, Walter; Arion, Vladimir B.","Metal‒Arene Complexes with Indolo[3,2-c]-quinolines: Effects of Ruthenium vs Osmium and Modifications of the Lactam Unit on Intermolecular Interactions, Anticancer Activity, Cell Cycle, and Cellular Accumulation","Organometallics","2013","32","3","903","","10.1021/om3012272","","","0.71073","MoKα","","0.0701","0.0395","","","0.0865","0.095","","","","","","1.027","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080040","10.8706","0.0007","12.0687","0.0008","12.9726","0.0008","87.432","0.001","83.113","0.001","86.061","0.001","1684.51","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H21 B Cl2 F6 N4 O4 Ru2 -","- C34 H21 B Cl2 F6 N4 O4 Ru2 -","- C68 H42 B2 Cl4 F12 N8 O8 Ru4 -","2","1","","Sinha, Arup; Majumdar, Moumita; Sarkar, Mithun; Ghatak, Tapas; Bera, Jitendra K.","Understanding C‒H Bond Activation on a Diruthenium(I) Platform","Organometallics","2013","32","1","340","","10.1021/om301228h","","","0.71073","MoKα","","0.0597","0.0384","","","0.0868","0.1038","","","","","","1.048","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080041","17.116","0.0016","12.9707","0.0012","28.893","0.003","90","","90","","90","","6414.4","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H23 B F4 N4 O6 Ru2 -","- C34 H23 B F4 N4 O6 Ru2 -","- C272 H184 B8 F32 N32 O48 Ru16 -","8","1","","Sinha, Arup; Majumdar, Moumita; Sarkar, Mithun; Ghatak, Tapas; Bera, Jitendra K.","Understanding C‒H Bond Activation on a Diruthenium(I) Platform","Organometallics","2013","32","1","340","","10.1021/om301228h","","","0.71073","MoKα","","0.0822","0.0485","","","0.1006","0.1199","","","","","","1.056","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080042","14.986","0.003","16.923","0.004","25.396","0.005","90","","90","","90","","6441","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H23 B F4 N4 O6 Ru2 -","- C34 H23 B F4 N4 O6 Ru2 -","- C272 H184 B8 F32 N32 O48 Ru16 -","8","1","","Sinha, Arup; Majumdar, Moumita; Sarkar, Mithun; Ghatak, Tapas; Bera, Jitendra K.","Understanding C‒H Bond Activation on a Diruthenium(I) Platform","Organometallics","2013","32","1","340","","10.1021/om301228h","","","0.71073","MoKα","","0.1628","0.0658","","","0.144","0.1898","","","","","","1.01","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080043","10.1067","0.0013","10.9721","0.0014","19.574","0.003","74.743","0.002","87.943","0.002","73.617","0.002","2007.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H27 B Cl6 F4 N6 O4 Ru2 -","- C33 H27 B Cl6 F4 N6 O4 Ru2 -","- C66 H54 B2 Cl12 F8 N12 O8 Ru4 -","2","1","","Sinha, Arup; Majumdar, Moumita; Sarkar, Mithun; Ghatak, Tapas; Bera, Jitendra K.","Understanding C‒H Bond Activation on a Diruthenium(I) Platform","Organometallics","2013","32","1","340","","10.1021/om301228h","","","0.71073","MoKα","","0.0893","0.0682","","","0.1799","0.2071","","","","","","1.091","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080044","14.654","0.0007","12.4662","0.0006","22.4013","0.0011","90","","95.43","0.001","90","","4073.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 B2 F8 N6 O4 Ru2 -","- C30 H22 B2 F8 N6 O4 Ru2 -","- C120 H88 B8 F32 N24 O16 Ru8 -","4","1","","Sinha, Arup; Majumdar, Moumita; Sarkar, Mithun; Ghatak, Tapas; Bera, Jitendra K.","Understanding C‒H Bond Activation on a Diruthenium(I) Platform","Organometallics","2013","32","1","340","","10.1021/om301228h","","","0.71073","MoKα","","0.0895","0.0573","","","0.1259","0.1457","","","","","","1.032","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080045","15.6111","0.0007","11.1454","0.0005","18.7778","0.0008","90","","95.698","0.002","90","","3251","0.2","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H33 Cl N2 P2 Pd -","- C39 H33 Cl N2 P2 Pd -","- C156 H132 Cl4 N8 P8 Pd4 -","4","1","","Pan, Baofei; Pierre, Sadrach; Bezpalko, Mark W.; Napoline, J. Wesley; Foxman, Bruce M.; Thomas, Christine M.","Isolation of N-Heterocyclic Alkyl Intermediates en Route to Transition Metal N-Heterocyclic Carbene Complexes: Insight into a C‒H Activation Mechanism","Organometallics","2013","32","2","704","","10.1021/om301230f","","","0.71073","MoKα","","0.0254","0.0211","","0.0535","0.0502","0.0535","","","","","","1.0042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080046","11.1255","0.0007","22.7387","0.0016","28.4541","0.0019","90","","90","","90","","7198.3","0.8","120","","120","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H41 Cl N2 O P2 Pt -","- C43 H41 Cl N2 O P2 Pt -","- C344 H328 Cl8 N16 O8 P16 Pt8 -","8","1","","Pan, Baofei; Pierre, Sadrach; Bezpalko, Mark W.; Napoline, J. Wesley; Foxman, Bruce M.; Thomas, Christine M.","Isolation of N-Heterocyclic Alkyl Intermediates en Route to Transition Metal N-Heterocyclic Carbene Complexes: Insight into a C‒H Activation Mechanism","Organometallics","2013","32","2","704","","10.1021/om301230f","","","0.71073","MoKα","","0.0503","0.0272","","0.0653","0.0557","0.0653","","","","","","0.9786","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080047","12.2642","0.0004","13.1012","0.0004","13.1026","0.0004","93.964","0.002","100.921","0.002","105.941","0.002","1971.21","0.11","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H37 Cl5 N2 P2 Pt -","- C41 H37 Cl5 N2 P2 Pt -","- C82 H74 Cl10 N4 P4 Pt2 -","2","1","","Pan, Baofei; Pierre, Sadrach; Bezpalko, Mark W.; Napoline, J. Wesley; Foxman, Bruce M.; Thomas, Christine M.","Isolation of N-Heterocyclic Alkyl Intermediates en Route to Transition Metal N-Heterocyclic Carbene Complexes: Insight into a C‒H Activation Mechanism","Organometallics","2013","32","2","704","","10.1021/om301230f","","","0.71073","MoKα","","0.0315","0.0256","","0.0603","0.0585","0.0603","","","","","","0.9732","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080048","17.074","0.002","33.689","0.004","13.5753","0.0016","90","","101.359","0.001","90","","7655.6","1.6","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H33 F6 N2 P3 Pt -","- C39 H33 F6 N2 P3 Pt -","- C312 H264 F48 N16 P24 Pt8 -","8","1","","Pan, Baofei; Pierre, Sadrach; Bezpalko, Mark W.; Napoline, J. Wesley; Foxman, Bruce M.; Thomas, Christine M.","Isolation of N-Heterocyclic Alkyl Intermediates en Route to Transition Metal N-Heterocyclic Carbene Complexes: Insight into a C‒H Activation Mechanism","Organometallics","2013","32","2","704","","10.1021/om301230f","","","0.71073","MoKα","","0.0416","0.0276","","0.0579","0.0545","0.0579","","","","","","1.0017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080049","7.8641","0.0001","9.08232","0.0001","16.97075","0.00019","90","","90","","90","","1212.12","0.02","115","0.1","115","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N -","- C15 H19 N -","- C60 H76 N4 -","4","1","","Scholl, Solveig A.; Wadepohl, Hubert; Gade, Lutz H.","Zirconium Hydrazinediido Complexes Derived from Cyclic Hydrazines and Their Role in the Catalytic Synthesis of 1,7-Annulated Indoles","Organometallics","2013","32","3","937","","10.1021/om301235d","","x-ray","1.5418","CuKα","","0.0286","0.028","","","0.0691","0.0696","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080050","8.455","0.004","14.579","0.006","21.01","0.009","90","","90","","90","","2590","2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N -","- C18 H17 N -","- C144 H136 N8 -","8","2","","Scholl, Solveig A.; Wadepohl, Hubert; Gade, Lutz H.","Zirconium Hydrazinediido Complexes Derived from Cyclic Hydrazines and Their Role in the Catalytic Synthesis of 1,7-Annulated Indoles","Organometallics","2013","32","3","937","","10.1021/om301235d","","x-ray","0.71073","MoKα","","0.0418","0.0387","","","0.1009","0.1048","","","","","","1.052","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080051","18.8426","0.0002","15.35907","0.00016","18.8516","0.0002","90","","105.363","0.0013","90","","5260.8","0.1","114.97","0.11","114.97","0.11","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58.5 H71 N9 Zr -","- C58.5 H71 N9 Zr -","- C234 H284 N36 Zr4 -","4","1","","Scholl, Solveig A.; Wadepohl, Hubert; Gade, Lutz H.","Zirconium Hydrazinediido Complexes Derived from Cyclic Hydrazines and Their Role in the Catalytic Synthesis of 1,7-Annulated Indoles","Organometallics","2013","32","3","937","","10.1021/om301235d","","x-ray","1.5418","CuKα","","0.0448","0.0331","","","0.074","0.0795","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080052","11.08162","0.00014","15.8271","0.0002","17.4213","0.0002","90","","106.928","0.0013","90","","2923.13","0.07","110","0.1","110","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H73 N9 Zr -","- C51 H57 N9 Zr -","- C102 H114 N18 Zr2 -","2","1","","Scholl, Solveig A.; Wadepohl, Hubert; Gade, Lutz H.","Zirconium Hydrazinediido Complexes Derived from Cyclic Hydrazines and Their Role in the Catalytic Synthesis of 1,7-Annulated Indoles","Organometallics","2013","32","3","937","","10.1021/om301235d","","x-ray","1.5418","CuKα","","0.0414","0.0394","","","0.1027","0.1041","","","","","","1.049","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080053","15.326","0.0003","11.5122","0.0002","20.0793","0.0003","90","","92.604","0.001","90","","3539.05","0.11","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H31 B Cl6 N7 O P W -","- C28 H31 B Cl6 N7 O P W -","- C112 H124 B4 Cl24 N28 O4 P4 W4 -","4","1","","Strausberg, Laura; Li, Mengxun; Harrison, Daniel P.; Myers, William H.; Sabat, Michal; Harman, W. Dean","Exploiting theo-Quinodimethane Nature of Naphthalene: Cycloaddition Reactions with η2-Coordinated Tungsten‒Naphthalene Complexes","Organometallics","2013","32","3","915","","10.1021/om301238q","","","0.71073","MoKα","","0.037","0.0258","","","0.1056","0.1199","","","","","","0.915","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080054","32.7214","0.0005","14.3863","0.0002","13.658","0.0002","90","","90.142","0.001","90","","6429.35","0.16","153","2","153","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29.5 H37 B Cl N8 O3 P W -","- C29.5 H37 B Cl N8 O3 P W -","- C236 H296 B8 Cl8 N64 O24 P8 W8 -","8","1","","Strausberg, Laura; Li, Mengxun; Harrison, Daniel P.; Myers, William H.; Sabat, Michal; Harman, W. Dean","Exploiting theo-Quinodimethane Nature of Naphthalene: Cycloaddition Reactions with η2-Coordinated Tungsten‒Naphthalene Complexes","Organometallics","2013","32","3","915","","10.1021/om301238q","","","0.71073","MoKα","","0.0248","0.0211","","","0.0826","0.09","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080055","11.6189","0.001","11.6227","0.001","16.3982","0.0014","93.0368","0.0008","102.065","0.0009","117.997","0.0008","1882.6","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H25 Al Cl4 O5 P2 W -","- C37 H25 Al Cl4 O5 P2 W -","- C74 H50 Al2 Cl8 O10 P4 W2 -","2","1","","Jayaraman, Arumugam; Sterenberg, Brian T.","Facile Phosphorus‒Carbon Bond Formation using a Tungsten-Coordinated Phosphirenyl Cation","Organometallics","2013","32","3","745","","10.1021/om301266x","","","0.71073","MoKα","","0.0157","0.0151","","","0.0371","0.0374","","","","","","1.062","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080056","8.4262","0.0001","32.5783","0.0003","10.4163","0.0001","90","","92.2999","0.0004","90","","2857.09","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 O2 Si W -","- C33 H36 O2 Si W -","- C132 H144 O8 Si4 W4 -","4","1","","Suzuki, Eiji; Komuro, Takashi; Kanno, Yuto; Tobita, Hiromi","(η3-α-Silabenzyl)tungsten Complexes: An Isolable Intermediate for Interconversion between a Silylene Complex and a Silyl Complex through 1,2-Aryl Migration","Organometallics","2013","32","3","748","","10.1021/om4000105","","","0.71069","MoKα","","0.0374","0.0323","","","0.0957","0.106","","","","","","1.278","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080057","9.5288","0.0004","22.9858","0.0005","13.823","0.0004","90","","109.84","0.002","90","","2847.9","0.16","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H10 B F15 S2 -","- C32 H10 B F15 S2 -","- C128 H40 B4 F60 S8 -","4","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Facile 1,1-Carboboration Reactions of Acetylenic Thioethers","Organometallics","2013","32","2","384","","10.1021/om400016t","","","1.54178","CuKα","","0.0425","0.0394","","","0.0986","0.1015","","","","","","1.061","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080058","11.0229","0.0009","11.0833","0.0004","15.6069","0.0005","103.586","0.002","94.281","0.005","109.041","0.003","1728.03","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H21 B F15 N S -","- C38 H21 B F15 N S -","- C76 H42 B2 F30 N2 S2 -","2","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Facile 1,1-Carboboration Reactions of Acetylenic Thioethers","Organometallics","2013","32","2","384","","10.1021/om400016t","","","1.54178","CuKα","","0.0447","0.0395","","","0.1009","0.1052","","","","","","1.037","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080059","11.7157","0.0003","20.1899","0.0008","15.8328","0.0007","90","","106.072","0.002","90","","3598.7","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H18 B F15 S -","- C41 H18 B F15 S -","- C164 H72 B4 F60 S4 -","4","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Facile 1,1-Carboboration Reactions of Acetylenic Thioethers","Organometallics","2013","32","2","384","","10.1021/om400016t","","","1.54178","CuKα","","0.0487","0.0406","","","0.0982","0.104","","","","","","1.037","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080060","11.3983","0.0004","12.6938","0.0004","18.3266","0.0011","82.812","0.003","75.461","0.002","63.725","0.003","2301.23","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H28 B Cl4 F15 S -","- C46 H28 B Cl4 F15 S -","- C92 H56 B2 Cl8 F30 S2 -","2","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Facile 1,1-Carboboration Reactions of Acetylenic Thioethers","Organometallics","2013","32","2","384","","10.1021/om400016t","","","1.54178","CuKα","","0.0933","0.0821","","","0.2336","0.2478","","","","","","1.033","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080061","11.3791","0.0005","11.817","0.0015","15.399","0.002","82.695","0.007","79.436","0.005","71.08","0.005","1920.5","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H16 B F15 S -","- C37 H16 B F15 S -","- C74 H32 B2 F30 S2 -","2","1","","Eller, Christina; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Facile 1,1-Carboboration Reactions of Acetylenic Thioethers","Organometallics","2013","32","2","384","","10.1021/om400016t","","","1.54178","CuKα","","0.0614","0.0519","","","0.1419","0.1489","","","","","","1.072","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080062","7.767","0.003","10.2","0.004","20.933","0.008","90","","91.405","0.016","90","","1657.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Cl2 N2 O Ru -","- C15 H22 Cl2 N2 O Ru -","- C60 H88 Cl8 N8 O4 Ru4 -","4","1","","DePasquale, Joseph; Kumar, Mukesh; Zeller, Matthias; Papish, Elizabeth T.","Variations on an NHC Theme: Which Features Enhance Catalytic Transfer Hydrogenation with Ruthenium Complexes?","Organometallics","2013","32","4","966","","10.1021/om300547f","","","0.71073","MoKα","","0.0981","0.0574","","","0.1342","0.1541","","","","","","1.046","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080063","12.417","0.003","11.457","0.003","15.937","0.004","90","","104.897","0.004","90","","2191","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31.79 Cl2 N2 O1.895 Ru -","- C19 H31.79 Cl2 N2 O1.895 Ru -","- C76 H127.16 Cl8 N8 O7.58 Ru4 -","4","1","","DePasquale, Joseph; Kumar, Mukesh; Zeller, Matthias; Papish, Elizabeth T.","Variations on an NHC Theme: Which Features Enhance Catalytic Transfer Hydrogenation with Ruthenium Complexes?","Organometallics","2013","32","4","966","","10.1021/om300547f","","","0.71073","MoKα","","0.0851","0.0493","","","0.1186","0.1331","","","","","","1.049","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080064","8.302","0.0006","15.1589","0.0011","19.7947","0.0014","90","","90","","90","","2491.1","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 Cl F6 N4 P Ru -","- C21 H30 Cl F6 N4 P Ru -","- C84 H120 Cl4 F24 N16 P4 Ru4 -","4","1","","DePasquale, Joseph; Kumar, Mukesh; Zeller, Matthias; Papish, Elizabeth T.","Variations on an NHC Theme: Which Features Enhance Catalytic Transfer Hydrogenation with Ruthenium Complexes?","Organometallics","2013","32","4","966","","10.1021/om300547f","","","0.71073","MoKα","","0.0436","0.0423","","","0.1057","0.1064","","","","","","1.165","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080065","8.784","0.003","20.645","0.007","11.995","0.004","90","","101.479","0.005","90","","2131.7","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl2 N2 Ru -","- C20 H32 Cl2 N2 Ru -","- C80 H128 Cl8 N8 Ru4 -","4","1","","DePasquale, Joseph; Kumar, Mukesh; Zeller, Matthias; Papish, Elizabeth T.","Variations on an NHC Theme: Which Features Enhance Catalytic Transfer Hydrogenation with Ruthenium Complexes?","Organometallics","2013","32","4","966","","10.1021/om300547f","","","0.71073","MoKα","","0.1486","0.088","","","0.2012","0.2234","","","","","","1.149","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080066","8.5965","0.0006","8.9504","0.0006","10.9882","0.0007","74.511","0.001","79.202","0.001","70.451","0.001","763.3","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13.89 H18.65 Cl1.12 N4 Pd -","- C13.88 H18.64 Cl1.12 N4 Pd -","- C27.76 H37.28 Cl2.24 N8 Pd2 -","2","1","","Obuah, Collins; Ainooson, Michael K.; Boltina, Sibulele; Guzei, Ilia A.; Nozaki, Kyoko; Darkwa, James","Ethylene and Styrene Carbon Monoxide Copolymerization Catalyzed by Pyrazolyl Palladium(II) Complexes","Organometallics","2013","32","4","980","","10.1021/om300798y","","","0.71073","Mo-Kα","","0.0216","0.0207","","","0.0547","0.0553","","","","","","1.078","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080067","9.7639","0.001","13.2818","0.0016","13.4208","0.0014","90","","109.482","0.003","90","","1640.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 Br Cl N3 Pd S -","- C13 H17 Br Cl N3 Pd S -","- C52 H68 Br4 Cl4 N12 Pd4 S4 -","4","1","","Obuah, Collins; Ainooson, Michael K.; Boltina, Sibulele; Guzei, Ilia A.; Nozaki, Kyoko; Darkwa, James","Ethylene and Styrene Carbon Monoxide Copolymerization Catalyzed by Pyrazolyl Palladium(II) Complexes","Organometallics","2013","32","4","980","","10.1021/om300798y","","","1.54178","Cu-Kα","","0.0475","0.0473","","","0.1529","0.1531","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080068","13.219","0.01","13.688","0.01","21.101","0.016","90","","107.489","0.009","90","","3642","5","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H59 P2 Rh Si -","- C37 H59 P2 Rh Si -","- C148 H236 P8 Rh4 Si4 -","4","1","","Fasulo, Meg E.; Calimano, Elisa; Buchanan, J. Matthew; Tilley, T. Don","Multiple Si‒H Bond Activations bytBu2PCH2CH2PtBu2andtBu2PCH2PtBu2Di(phosphine) Complexes of Rhodium and Iridium","Organometallics","2013","32","4","1016","","10.1021/om300943e","","","0.71073","MoKα","","0.0902","0.0422","","","0.0794","0.0981","","","","","","1.027","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080069","16.5825","0.0006","19.588","0.0008","21.8479","0.0009","90","","90","","90","","7096.6","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H61 P2 Rh Si -","- C35 H61 P2 Rh Si -","- C280 H488 P16 Rh8 Si8 -","8","1","","Fasulo, Meg E.; Calimano, Elisa; Buchanan, J. Matthew; Tilley, T. Don","Multiple Si‒H Bond Activations bytBu2PCH2CH2PtBu2andtBu2PCH2PtBu2Di(phosphine) Complexes of Rhodium and Iridium","Organometallics","2013","32","4","1016","","10.1021/om300943e","","","0.71073","MoKα","","0.0454","0.0306","","","0.0694","0.078","","","","","","1.13","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080070","16.541","0.005","19.613","0.005","21.955","0.005","90","0","90","0","90","0","7123","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H61 Ge P2 Rh -","- C35 H61 Ge P2 Rh -","- C280 H488 Ge8 P16 Rh8 -","8","1","","Fasulo, Meg E.; Calimano, Elisa; Buchanan, J. Matthew; Tilley, T. Don","Multiple Si‒H Bond Activations bytBu2PCH2CH2PtBu2andtBu2PCH2PtBu2Di(phosphine) Complexes of Rhodium and Iridium","Organometallics","2013","32","4","1016","","10.1021/om300943e","","","0.71069","MoKα","","0.0309","0.0235","","","0.0571","0.061","","","","","","1.088","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080071","19.6862","0.0027","9.8564","0.0014","22.0025","0.003","90","0","111.727","0.002","90","0","3966","1","155","2","155","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H65 P2 Rh Si -","- C38 H65 P2 Rh Si -","- C152 H260 P8 Rh4 Si4 -","4","1","","Fasulo, Meg E.; Calimano, Elisa; Buchanan, J. Matthew; Tilley, T. Don","Multiple Si‒H Bond Activations bytBu2PCH2CH2PtBu2andtBu2PCH2PtBu2Di(phosphine) Complexes of Rhodium and Iridium","Organometallics","2013","32","4","1016","","10.1021/om300943e","","","0.71073","MoKα","","0.1105","0.0576","","","0.1119","0.132","","","","","","0.985","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080072","22.7047","0.0016","15.6915","0.0011","20.2858","0.0014","90","","105.026","0.001","90","","6980.1","0.8","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H102 Cl2 Ir2 P4 Si -","- C60 H102 Cl2 Ir2 P4 Si -","- C240 H408 Cl8 Ir8 P16 Si4 -","4","1","","Fasulo, Meg E.; Calimano, Elisa; Buchanan, J. Matthew; Tilley, T. Don","Multiple Si‒H Bond Activations bytBu2PCH2CH2PtBu2andtBu2PCH2PtBu2Di(phosphine) Complexes of Rhodium and Iridium","Organometallics","2013","32","4","1016","","10.1021/om300943e","","","0.71073","MoKα","","0.0776","0.0488","","","0.1361","0.155","","","","","","1.047","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080073","14.427","0.005","16.079","0.005","18.585","0.005","90","0.005","103.041","0.005","90","0.005","4200","2","138","2","138","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H62 Cl Ir P2 Si -","- C41 H62 Cl Ir P2 Si -","- C164 H248 Cl4 Ir4 P8 Si4 -","4","1","","Fasulo, Meg E.; Calimano, Elisa; Buchanan, J. Matthew; Tilley, T. Don","Multiple Si‒H Bond Activations bytBu2PCH2CH2PtBu2andtBu2PCH2PtBu2Di(phosphine) Complexes of Rhodium and Iridium","Organometallics","2013","32","4","1016","","10.1021/om300943e","","","0.71069","MoKα","","0.125","0.0772","","","0.1743","0.1945","","","","","","1.016","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080074","14.447","0.003","14.447","0.003","22.606","0.005","90","","90","","90","","4718.2","1.7","113","","113","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C54 H48 P2 Pd Si4 -","- C54 H48 P2 Pd Si4 -","- C216 H192 P8 Pd4 Si16 -","4","0.5","","Tanabe, Makoto; Takahashi, Atsushi; Fukuta, Tomoko; Osakada, Kohtaro","Nickel-Catalyzed Cyclopolymerization of Hexyl- and Phenylsilanes","Organometallics","2013","32","4","1037","","10.1021/om301052f","","","0.7107","MoKα","","","0.0439","","","","0.1097","","","","","","1.122","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080075","15.3032","0.0007","15.4255","0.0007","27.7438","0.0014","90","","90","","90","","6549.2","0.5","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 F8 Ir2 N2 O2 -","- C36 H30 F8 Ir2 N2 O2 -","- C288 H240 F64 Ir16 N16 O16 -","8","2","","Mak, Kar Hang Garvin; Chan, Pek Ke; Fan, Wai Yip; Ganguly, Rakesh; Leong, Weng Kee","Photochemical Reaction of Cp*Ir(CO)2with C6F5X (X = CN, F): Formation of Diiridium(II) Complexes","Organometallics","2013","32","4","1053","","10.1021/om301055h","","","0.71073","MoKα","","0.094","0.0523","","","0.1138","0.1284","","","","","","1.073","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080076","11.7894","0.0011","35.409","0.003","17.3432","0.0016","90","","104.342","0.002","90","","7014.3","1.1","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H33.5 F10 Ir2 O2 -","- C35.5 H33.5 F10 Ir2 O2 -","- C284 H268 F80 Ir16 O16 -","8","2","","Mak, Kar Hang Garvin; Chan, Pek Ke; Fan, Wai Yip; Ganguly, Rakesh; Leong, Weng Kee","Photochemical Reaction of Cp*Ir(CO)2with C6F5X (X = CN, F): Formation of Diiridium(II) Complexes","Organometallics","2013","32","4","1053","","10.1021/om301055h","","","0.71073","MoKα","","0.0756","0.0658","","","0.155","0.1585","","","","","","1.352","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080077","8.445","0.0004","9.4692","0.0005","11.7555","0.0006","71.959","0.003","76.304","0.003","65.008","0.003","804","0.07","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 F4 Ir N O -","- C18 H15 F4 Ir N O -","- C36 H30 F8 Ir2 N2 O2 -","2","1","","Mak, Kar Hang Garvin; Chan, Pek Ke; Fan, Wai Yip; Ganguly, Rakesh; Leong, Weng Kee","Photochemical Reaction of Cp*Ir(CO)2with C6F5X (X = CN, F): Formation of Diiridium(II) Complexes","Organometallics","2013","32","4","1053","","10.1021/om301055h","","","0.71073","MoKα","","0.0547","0.0401","","","0.0797","0.0847","","","","","","1.043","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080078","12.5662","0.0003","8.2197","0.0002","15.8285","0.0004","90","","90","","90","","1634.93","0.07","223","2","223","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C17 H15 F6 Ir O -","- C17 H15 F6 Ir O -","- C68 H60 F24 Ir4 O4 -","4","0.5","","Mak, Kar Hang Garvin; Chan, Pek Ke; Fan, Wai Yip; Ganguly, Rakesh; Leong, Weng Kee","Photochemical Reaction of Cp*Ir(CO)2with C6F5X (X = CN, F): Formation of Diiridium(II) Complexes","Organometallics","2013","32","4","1053","","10.1021/om301055h","","","0.71073","MoKα","","0.0208","0.0207","","","0.0529","0.0529","","","","","","1.067","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080079","11.799","0.0005","18.3902","0.0009","16.4743","0.0008","90","","105.945","0.003","90","","3437.2","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 Fe2 O2 P6 -","- C28 H50 Fe2 O2 P6 -","- C112 H200 Fe8 O8 P24 -","4","1","","Zaffaroni, Riccardo; Rauchfuss, Thomas B.; Fuller, Amy; De Gioia, Luca; Zampella, Giuseppe","Contrasting Protonation Behavior of Diphosphido vs Dithiolato Diiron(I) Carbonyl Complexes","Organometallics","2013","32","1","232","","10.1021/om300997s","","","1.54178","CuKα","","0.0662","0.0471","","","0.1178","0.129","","","","","","1.02","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080080","17.1914","0.0003","17.213","0.0004","18.0119","0.0006","95.219","0.003","112.22","0.003","90.259","0.002","4909.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H44 N2 Zn -","- C26 H44 N2 Zn -","- C208 H352 N16 Zn8 -","8","4","","Chilleck, Maren A.; Braun, Thomas; Herrmann, Roy; Braun, Beatrice","Zinc Complexes with the N-Donor-Functionalized Cyclopentadienyl Ligand C5Me4(CH2)2NMe2","Organometallics","2013","32","4","1067","","10.1021/om301181e","","","0.71073","MoKα","","0.0611","0.0419","","","0.0819","0.0878","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080081","14.1101","0.0006","20.5775","0.0006","10.6019","0.0004","90","","100.803","0.003","90","","3023.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N Zn -","- C15 H27 N Zn -","- C120 H216 N8 Zn8 -","8","2","","Chilleck, Maren A.; Braun, Thomas; Herrmann, Roy; Braun, Beatrice","Zinc Complexes with the N-Donor-Functionalized Cyclopentadienyl Ligand C5Me4(CH2)2NMe2","Organometallics","2013","32","4","1067","","10.1021/om301181e","","","0.71073","MoKα","","0.0583","0.0451","","","0.1153","0.1231","","","","","","1.084","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080082","8.8515","0.0003","15.1751","0.0004","16.27","0.0006","90","","99.733","0.003","90","","2153.97","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 N Zn -","- C23 H37 N Zn -","- C92 H148 N4 Zn4 -","4","1","","Chilleck, Maren A.; Braun, Thomas; Herrmann, Roy; Braun, Beatrice","Zinc Complexes with the N-Donor-Functionalized Cyclopentadienyl Ligand C5Me4(CH2)2NMe2","Organometallics","2013","32","4","1067","","10.1021/om301181e","","","0.71073","MoKα","","0.0574","0.044","","","0.1216","0.1277","","","","","","1.078","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080083","8.3843","0.0003","18.003","0.0007","10.008","0.0003","90","","110.116","0.002","90","","1418.48","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Cl2 N2 Zn2 -","- C26 H44 Cl2 N2 Zn2 -","- C52 H88 Cl4 N4 Zn4 -","2","0.5","","Chilleck, Maren A.; Braun, Thomas; Herrmann, Roy; Braun, Beatrice","Zinc Complexes with the N-Donor-Functionalized Cyclopentadienyl Ligand C5Me4(CH2)2NMe2","Organometallics","2013","32","4","1067","","10.1021/om301181e","","","0.71073","MoKα","","0.0227","0.0187","","","0.0462","0.0474","","","","","","1.033","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080084","12.5611","0.0003","8.9255","0.0003","13.6004","0.0004","90","","102.301","0.002","90","","1489.79","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cl2 O2 Zn2 -","- C28 H46 Cl2 O2 Zn2 -","- C56 H92 Cl4 O4 Zn4 -","2","0.5","","Chilleck, Maren A.; Braun, Thomas; Herrmann, Roy; Braun, Beatrice","Zinc Complexes with the N-Donor-Functionalized Cyclopentadienyl Ligand C5Me4(CH2)2NMe2","Organometallics","2013","32","4","1067","","10.1021/om301181e","","","0.71073","MoKα","","0.0352","0.0232","","","0.0491","0.0501","","","","","","0.803","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080085","9.6837","0.0005","10.3437","0.0005","10.3664","0.0005","90","","90","","90","","1038.35","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1608 ww magr141 (SFc)-FcBrI","(S~Fc~)-2-Bromo-1-iodoferrocene","","- C10 H8 Br Fe I -","- C10 H8 Br Fe I -","- C40 H32 Br4 Fe4 I4 -","4","1","","Zirakzadeh, Afrooz; Groß, Manuela A.; Wang, Yaping; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Biferrocene-Based Diphosphine Ligands: Synthesis and Application of Walphos Analogues in Asymmetric Hydrogenations","Organometallics","2013","32","4","1075","","10.1021/om3012147","","","0.71073","MoKα","","0.0141","0.0139","","","0.0347","0.0348","","","","","","1.099","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080086","8.5531","0.0002","10.3363","0.0002","26.0765","0.0005","90","","90","","90","","2305.36","0.08","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","1574 ww yw46 (R,SFc,RFc)-3.BH3, isomer of 1521","(R~Fc~)-2''-Bromo-(S~Fc~)-2-[(R)-1-N,N-dimethylaminoethyl-κN] -1,1''-biferrocene trihydridoboron","","- C24 H29 B Br Fe2 N -","- C24 H29 B Br Fe2 N -","- C96 H116 B4 Br4 Fe8 N4 -","4","1","","Zirakzadeh, Afrooz; Groß, Manuela A.; Wang, Yaping; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Biferrocene-Based Diphosphine Ligands: Synthesis and Application of Walphos Analogues in Asymmetric Hydrogenations","Organometallics","2013","32","4","1075","","10.1021/om3012147","","","0.71073","MoKα","","0.0233","0.0214","","","0.0524","0.0531","","","","","","1.049","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080087","9.7275","0.0004","9.967","0.0005","46.626","0.002","90","","90","","90","","4520.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1642x2 ww magr161a (R,SFc,RFc)-16","(S~Fc~)-2-{(R)-1-Bis[3,5-bis(trifluoromethyl)phenyl]phosphinoethyl}- (R~Fc~)-2''-diphenylphosphino-1,1''-biferrocene","","- C50 H36 F12 Fe2 P2 -","- C50 H36 F12 Fe2 P2 -","- C200 H144 F48 Fe8 P8 -","4","1","","Zirakzadeh, Afrooz; Groß, Manuela A.; Wang, Yaping; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Biferrocene-Based Diphosphine Ligands: Synthesis and Application of Walphos Analogues in Asymmetric Hydrogenations","Organometallics","2013","32","4","1075","","10.1021/om3012147","","","0.71073","MoKα","","0.0256","0.0255","","","0.0638","0.0639","","","","","","1.085","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080088","9.3995","0.0003","15.5949","0.0004","17.1152","0.0005","90","","93.389","0.002","90","","2504.43","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","1585 ww magr1f-D2 (R,SFc,RFc)-17","(S~Fc~)-2-{(R)-1-Bis[3,5-bis(trifluoromethyl)phenyl]phosphinoethyl}- (R~Fc~)-2''-bis(3,5-dimethyl-4-methoxyphenyl)-phosphino-1,1''- biferrocene","","- C56 H48 F12 Fe2 O2 P2 -","- C56 H48 F12 Fe2 O2 P2 -","- C112 H96 F24 Fe4 O4 P4 -","2","1","","Zirakzadeh, Afrooz; Groß, Manuela A.; Wang, Yaping; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Biferrocene-Based Diphosphine Ligands: Synthesis and Application of Walphos Analogues in Asymmetric Hydrogenations","Organometallics","2013","32","4","1075","","10.1021/om3012147","","","0.71073","MoKα","","0.0326","0.0265","","","0.0597","0.0623","","","","","","1.022","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080089","11.2688","0.0004","14.6804","0.0005","15.1107","0.0004","109.367","0.002","90.523","0.002","104.076","0.002","2276.47","0.13","100","2","100","2","","","","","","","","7","P 1","P 1","1","1595 ww magr114 [PdCl2(12)].C7H8.1/2(H2O)","Dichloro-{(S~Fc~)-2-[(R)-1-diphenylphosphinoethyl-κP]- (R~Fc~)-2''-diphenylphosphino-?P-1,1''-biferrocene} palladium(II) toluene monosolvate hemihydrate","","- C53 H49 Cl2 Fe2 O0.5 P2 Pd -","- C53 H48 Cl2 Fe2 O0.3655 P2 Pd -","- C106 H96 Cl4 Fe4 O0.731 P4 Pd2 -","2","2","","Zirakzadeh, Afrooz; Groß, Manuela A.; Wang, Yaping; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Biferrocene-Based Diphosphine Ligands: Synthesis and Application of Walphos Analogues in Asymmetric Hydrogenations","Organometallics","2013","32","4","1075","","10.1021/om3012147","","","0.71073","MoKα","","0.0246","0.0231","","","0.0568","0.0581","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080090","11.5426","0.0002","18.4163","0.0003","22.5369","0.0004","90","","90","","90","","4790.71","0.14","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","1586 ww magr112 [RuCl(p-cymene)(12)]PF6","Chloro-{(S~Fc~)-2-[(R)-1-diphenylphosphinoethyl-κP]- (R~Fc~)-2''-diphenylphosphino-κP-1,1''-biferrocene}- (η6-p-cymene) ruthenium(II) hexafluorophosphate","","- C56 H54 Cl F6 Fe2 P3 Ru -","- C56 H54 Cl F6 Fe2 P3 Ru -","- C224 H216 Cl4 F24 Fe8 P12 Ru4 -","4","1","","Zirakzadeh, Afrooz; Groß, Manuela A.; Wang, Yaping; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Biferrocene-Based Diphosphine Ligands: Synthesis and Application of Walphos Analogues in Asymmetric Hydrogenations","Organometallics","2013","32","4","1075","","10.1021/om3012147","","","0.71073","MoKα","","0.0251","0.0233","","","0.0599","0.0616","","","","","","1.057","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080091","18.7194","0.0014","9.3375","0.0007","26.805","0.002","90","","102.426","0.001","90","","4575.6","0.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H71 Ge O2 P -","- C48 H71 Ge O2 P -","- C192 H284 Ge4 O8 P4 -","4","1","","Ghereg, Dumitru; Ouhsaine, Fatima; Escudié, Jean; Labat, Stéphane; André, Erwan; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Gornitzka, Heinz; Saffon, Nathalie","Versatile Reactivity of Phosphagermaallene Tip(t-Bu)Ge═C═PMes* with α-Ethylenic Esters","Organometallics","2013","32","4","1085","","10.1021/om301224t","","","0.71073","MoKα","","0.0485","0.0346","","","0.0839","0.0914","","","","","","1.031","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080092","10.4119","0.0012","22.586","0.002","18.438","0.002","90","","100.725","0.002","90","","4260.2","0.8","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H67 Ge O4 P -","- C43 H67 Ge O4 P -","- C172 H268 Ge4 O16 P4 -","4","1","","Ghereg, Dumitru; Ouhsaine, Fatima; Escudié, Jean; Labat, Stéphane; André, Erwan; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Gornitzka, Heinz; Saffon, Nathalie","Versatile Reactivity of Phosphagermaallene Tip(t-Bu)Ge═C═PMes* with α-Ethylenic Esters","Organometallics","2013","32","4","1085","","10.1021/om301224t","","","0.71073","MoKα","","0.1496","0.0592","","","0.1096","0.1411","","","","","","0.979","","","","has coordinates,has disorder","178689","2020-10-21","18:00:00",""
"4080093","14.8991","0.0004","18.2616","0.0005","16.6892","0.0004","90","","104.424","0.002","90","","4397.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 Ge O2.5 P -","- C44 H72 Ge O2.5 P -","- C176 H288 Ge4 O10 P4 -","4","1","","Ghereg, Dumitru; Ouhsaine, Fatima; Escudié, Jean; Labat, Stéphane; André, Erwan; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Gornitzka, Heinz; Saffon, Nathalie","Versatile Reactivity of Phosphagermaallene Tip(t-Bu)Ge═C═PMes* with α-Ethylenic Esters","Organometallics","2013","32","4","1085","","10.1021/om301224t","","","0.71073","MoKα","","0.0803","0.0422","","","0.083","0.0967","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080094","14.8315","0.0013","16.5743","0.0015","18.7171","0.0017","90","","106.818","0.002","90","","4404.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H55 Cl2 N2 Pd2 -","- C51 H55 Cl2 N2 Pd2 -","- C204 H220 Cl8 N8 Pd8 -","4","1","","Garc\?ía-López, José-Antonio; Oliva-Madrid, Mar\?ía-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Room-Temperature Isolation of Palladium(II) Organocarbonyl Intermediates in the Synthesis of Eight-Membered Lactams after Alkyne/CO Sequential Insertions","Organometallics","2013","32","4","1094","","10.1021/om301241n","","","0.71073","MoKα","","0.0418","0.0373","","","0.0881","0.0905","","","","","","1.105","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080095","8.5407","0.001","12.174","0.0015","18.682","0.002","90","","98.861","0.002","90","","1919.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Cl2 N2 O4 Pd2 -","- C40 H44 Cl2 N2 O4 Pd2 -","- C80 H88 Cl4 N4 O8 Pd4 -","2","0.5","","Garc\?ía-López, José-Antonio; Oliva-Madrid, Mar\?ía-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Room-Temperature Isolation of Palladium(II) Organocarbonyl Intermediates in the Synthesis of Eight-Membered Lactams after Alkyne/CO Sequential Insertions","Organometallics","2013","32","4","1094","","10.1021/om301241n","","","0.71073","MoKα","","0.0646","0.0539","","","0.1038","0.1077","","","","","","1.216","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080096","9.2646","0.0009","12.7351","0.0012","19.7474","0.0019","90","","90","","90","","2329.9","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 F3 N O6 Pd S -","- C22 H22 F3 N O6 Pd S -","- C88 H88 F12 N4 O24 Pd4 S4 -","4","1","","Garc\?ía-López, José-Antonio; Oliva-Madrid, Mar\?ía-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Room-Temperature Isolation of Palladium(II) Organocarbonyl Intermediates in the Synthesis of Eight-Membered Lactams after Alkyne/CO Sequential Insertions","Organometallics","2013","32","4","1094","","10.1021/om301241n","","","0.71073","MoKα","","0.0392","0.0355","","","0.0845","0.0867","","","","","","1.042","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080097","9.3702","0.0008","10.1873","0.0009","20.0745","0.0018","90","","94.143","0.002","90","","1911.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Garc\?ía-López, José-Antonio; Oliva-Madrid, Mar\?ía-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Room-Temperature Isolation of Palladium(II) Organocarbonyl Intermediates in the Synthesis of Eight-Membered Lactams after Alkyne/CO Sequential Insertions","Organometallics","2013","32","4","1094","","10.1021/om301241n","","","0.71073","MoKα","","0.0419","0.0392","","","0.0993","0.1019","","","","","","0.974","","","","has coordinates","178689","2020-10-21","18:00:00",""
"4080098","11.9721","0.0009","8.5681","0.0006","15.6711","0.0011","90","","95.444","0.002","90","","1600.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Garc\?ía-López, José-Antonio; Oliva-Madrid, Mar\?ía-José; Saura-Llamas, Isabel; Bautista, Delia; Vicente, José","Room-Temperature Isolation of Palladium(II) Organocarbonyl Intermediates in the Synthesis of Eight-Membered Lactams after Alkyne/CO Sequential Insertions","Organometallics","2013","32","4","1094","","10.1021/om301241n","","","0.71073","MoKα","","0.0484","0.0456","","","0.1076","0.1099","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080099","10.6343","0.0002","19.3018","0.0003","20.5439","0.0014","113.617","0.008","104.457","0.007","90.476","0.006","3713.3","0.4","150","0.2","150","0.2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H75 N8 O3 P Ru2 S Si -","- C73 H75 N8 O3 P Ru2 S Si -","- C146 H150 N16 O6 P2 Ru4 S2 Si2 -","2","1","","Cummings, Steven P.; Savchenko, Julia; Fanwick, Phillip E.; Kharlamova, Anastasia; Ren, Tong","Diruthenium Alkynyl Compounds with Phosphonate Capping Groups","Organometallics","2013","32","4","1129","","10.1021/om301247w","","","1.54184","CU-Kα","","0.074","0.063","","","0.185","0.201","","","","","","1.117","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4080100","35.0768","0.0018","13.4364","0.0007","19.0626","0.0007","90","","121.914","0.003","90","","7626.3","0.7","150","0.02","150","0.02","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H102 N8 O6 P2 Ru2 -","- C74 H102 N8 O6 P2 Ru2 -","- C296 H408 N32 O24 P8 Ru8 -","4","0.5","","Cummings, Steven P.; Savchenko, Julia; Fanwick, Phillip E.; Kharlamova, Anastasia; Ren, Tong","Diruthenium Alkynyl Compounds with Phosphonate Capping Groups","Organometallics","2013","32","4","1129","","10.1021/om301247w","","","0.71073","MO-Kα","","0.095","0.05","","","0.099","0.125","","","","","","1.089","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4080101","35.2455","0.0018","6.7435","0.0003","9.625","0.0006","90","","102.636","0.005","90","","2232.2","0.2","199.95","0.1","199.95","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H26 Cl2 N2 Pd -","- C24 H26 Cl2 N2 Pd -","- C96 H104 Cl8 N8 Pd4 -","4","1","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Chiral Palladacycles with N-Heterocyclic Carbene Ligands as Catalysts for Asymmetric Hydrophosphination","Organometallics","2013","32","4","1112","","10.1021/om400007a","","","0.7107","MoKα","","0.0324","0.0282","","","0.0538","0.0571","","","","","","1.077","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080102","12.4821","0.0003","12.8515","0.0003","20.5376","0.0005","90","","90","","90","","3294.51","0.14","219.95","0.1","219.95","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 N4 O4 Pd2 -","- C32 H36 N4 O4 Pd2 -","- C128 H144 N16 O16 Pd8 -","4","1","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Chiral Palladacycles with N-Heterocyclic Carbene Ligands as Catalysts for Asymmetric Hydrophosphination","Organometallics","2013","32","4","1112","","10.1021/om400007a","","","0.7107","MoKα","","0.0815","0.0453","","","0.0762","0.0914","","","","","","1.06","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080103","11.8164","0.0004","16.3861","0.0003","17.9298","0.0004","90","","90","","90","","3471.65","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 I N3 Pd -","- C15 H22 I N3 Pd -","- C120 H176 I8 N24 Pd8 -","8","2","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Chiral Palladacycles with N-Heterocyclic Carbene Ligands as Catalysts for Asymmetric Hydrophosphination","Organometallics","2013","32","4","1112","","10.1021/om400007a","","","0.71073","MOKα","","0.0558","0.0377","","","0.0645","0.0761","","","","","","1.076","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080104","7.8067","0.0005","7.9436","0.0005","33.1475","0.0018","90","","90","","90","","2055.6","0.2","199.95","0.1","199.95","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 I2 N3 Pd -","- C17 H21 I2 N3 Pd -","- C68 H84 I8 N12 Pd4 -","4","1","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Chiral Palladacycles with N-Heterocyclic Carbene Ligands as Catalysts for Asymmetric Hydrophosphination","Organometallics","2013","32","4","1112","","10.1021/om400007a","","","0.7107","MoKα","","0.0777","0.0444","","","0.0527","0.0617","","","","","","1.038","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080105","8.5601","0.0008","7.4175","0.0007","14.2238","0.0016","90","","103.859","0.01","90","","876.84","0.16","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H20 I N3 Pd -","- C17 H20 I N3 Pd -","- C34 H40 I2 N6 Pd2 -","2","1","","Sabater, Sara; Mata, Jose A.; Peris, Eduardo","Chiral Palladacycles with N-Heterocyclic Carbene Ligands as Catalysts for Asymmetric Hydrophosphination","Organometallics","2013","32","4","1112","","10.1021/om400007a","","","0.71073","MoKα","","0.0581","0.043","","","0.0771","0.0894","","","","","","1.028","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080106","17.1115","0.0012","10.5183","0.0008","18.4698","0.0013","90","","90.152","0.003","90","","3324.3","0.4","193","2","193","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H43 O4 P3 Pd -","- C34 H43 O4 P3 Pd -","- C136 H172 O16 P12 Pd4 -","4","1","","Derrah, Eric J.; Martin, Carmen; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Chelating Assistance of P‒C and P‒H Bond Activation at Palladium and Nickel: Straightforward Access to Diverse Pincer Complexes from a Diphosphine‒Phosphine Oxide","Organometallics","2013","32","4","1121","","10.1021/om400042v","","x-ray","0.71073","MoKα","","0.0455","0.031","","","0.0654","0.0707","","","","","","1.023","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080107","14.3667","0.0005","10.5128","0.0004","27.3848","0.0009","90","","96.647","0.002","90","","4108.2","0.3","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 Cl2 O7 P3 Pd2 -","- C39 H47 Cl2 O7 P3 Pd2 -","- C156 H188 Cl8 O28 P12 Pd8 -","4","1","","Derrah, Eric J.; Martin, Carmen; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Chelating Assistance of P‒C and P‒H Bond Activation at Palladium and Nickel: Straightforward Access to Diverse Pincer Complexes from a Diphosphine‒Phosphine Oxide","Organometallics","2013","32","4","1121","","10.1021/om400042v","","x-ray","0.71073","MoKα","","0.0588","0.0354","","","0.0738","0.0824","","","","","","1.013","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080108","8.9837","0.0002","18.4157","0.0005","21.5909","0.0005","90","","107.043","0.002","90","","3415.16","0.15","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 F3 O4 P3 Pd S -","- C31 H42 F3 O4 P3 Pd S -","- C124 H168 F12 O16 P12 Pd4 S4 -","4","1","","Derrah, Eric J.; Martin, Carmen; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Chelating Assistance of P‒C and P‒H Bond Activation at Palladium and Nickel: Straightforward Access to Diverse Pincer Complexes from a Diphosphine‒Phosphine Oxide","Organometallics","2013","32","4","1121","","10.1021/om400042v","","x-ray","0.71073","MoKα","","0.0695","0.0378","","","0.073","0.0828","","","","","","1.001","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080109","8.4351","0.0018","16.229","0.004","24.682","0.006","90","","90","","90","","3378.8","1.4","193","2","193","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 F3 O4 P3 Pd S -","- C31 H42 F3 O4 P3 Pd S -","- C124 H168 F12 O16 P12 Pd4 S4 -","4","1","","Derrah, Eric J.; Martin, Carmen; Mallet-Ladeira, Sonia; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Chelating Assistance of P‒C and P‒H Bond Activation at Palladium and Nickel: Straightforward Access to Diverse Pincer Complexes from a Diphosphine‒Phosphine Oxide","Organometallics","2013","32","4","1121","","10.1021/om400042v","","x-ray","0.71073","MoKα","","0.0254","0.0234","","","0.0561","0.0572","","","","","","1.045","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080110","14.4154","0.0003","22.0265","0.0003","21.506","0.0004","90","","97.955","0.001","90","","6762.9","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H107 N9 O0.5 Y -","- C68 H107 N9 O0.5 Y -","- C272 H428 N36 O2 Y4 -","4","1","","Behrle, Andrew C.; Schmidt, Joseph A. R.","Insertion Reactions and Catalytic Hydrophosphination of Heterocumulenes using α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes","Organometallics","2013","32","5","1141","1149","10.1021/om300807k","","","1.54178","CuKα","","0.0841","0.0724","","","0.2152","0.2296","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080111","9.105","0.0002","11.1607","0.0003","18.8762","0.0005","98.193","0.001","96.863","0.001","108.486","0.001","1772.7","0.08","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 N5 Si2 Y -","- C34 H54 N5 Si2 Y -","- C68 H108 N10 Si4 Y2 -","2","1","","Behrle, Andrew C.; Schmidt, Joseph A. R.","Insertion Reactions and Catalytic Hydrophosphination of Heterocumulenes using α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes","Organometallics","2013","32","5","1141","1149","10.1021/om300807k","","","1.54178","CuKα","","0.0472","0.0458","","","0.1256","0.1275","","","","","","1.039","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080112","10.0569","0.0012","12.789","0.0016","21.968","0.003","82.324","0.002","83.209","0.002","80.949","0.002","2751.6","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H72 La N6 P3 -","- C57 H72 La N6 P3 -","- C114 H144 La2 N12 P6 -","2","1","","Behrle, Andrew C.; Schmidt, Joseph A. R.","Insertion Reactions and Catalytic Hydrophosphination of Heterocumulenes using α-MetalatedN,N-Dimethylbenzylamine Rare-Earth-Metal Complexes","Organometallics","2013","32","5","1141","1149","10.1021/om300807k","","","0.71073","MoKα","","0.0238","0.0201","","","0.0462","0.0476","","","","","","1.022","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080113","9.32","0.0009","9.6463","0.0009","15.0326","0.0015","76.201","0.001","83.494","0.001","74.153","0.001","1260.9","0.2","100","1","100","1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 N2 Yb -","- C31 H37 N2 Yb -","- C62 H74 N4 Yb2 -","2","1","","Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Andersen, Richard A.","Thermal Dihydrogen Elimination from Cp*2Yb(4,5-diazafluorene)","Organometallics","2013","32","5","1150","1158","10.1021/om300876b","","","0.71073","MoKα","","0.016","0.0145","","","0.035","0.0358","","","","","","1.082","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080114","21.33","0.004","25.817","0.004","14.995","0.002","90","","132.711","0.002","90","","6067.4","1.7","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C74 H84 N4 Yb2 -","- C74 H84 N4 Yb2 -","- C296 H336 N16 Yb8 -","4","0.5","","Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Andersen, Richard A.","Thermal Dihydrogen Elimination from Cp*2Yb(4,5-diazafluorene)","Organometallics","2013","32","5","1150","1158","10.1021/om300876b","","","0.71073","MoKα","","0.0461","0.031","","","0.0633","0.0695","","","","","","1.061","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080115","13.543","0.002","14.4","0.002","14.572","0.002","84.042","0.003","74.078","0.003","82.847","0.003","2704.3","0.7","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H83 N6 Sc Si -","- C58 H83 N6 Sc Si -","- C116 H166 N12 Sc2 Si2 -","2","1","","Chu, Jiaxiang; Lu, Erli; Chen, Yaofeng; Leng, Xuebing","Reversible Addition of the Si‒H Bond of Phenylsilane to the Sc‒N Bond of a Scandium Terminal Imido Complex","Organometallics","2013","32","5","1137","1140","10.1021/om3010349","","","0.71073","MoKα","","0.0938","0.0539","","","0.1311","0.1578","","","","","","1.012","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080116","12.7391","0.0003","14.3319","0.0003","21.0538","0.0006","75.308","0.002","82.8","0.002","89.461","0.002","3687.9","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H108 N4 S2 Yb2 -","- C79 H108 N4 S2 Yb2 -","- C158 H216 N8 S4 Yb4 -","2","1","","Basalov, Ivan V.; Lyubov, Dmitry M.; Fukin, Georgy K.; Cherkasov, Anton V.; Trifonov, Alexander A.","Reactivity of Ytterbium(II) Hydride. Redox Reactions: Ytterbium(II) vs Hydrido Ligand. Metathesis of the Yb‒H Bond","Organometallics","2013","32","5","1507","","10.1021/om400015k","","","0.71073","MoKα","","0.0759","0.0575","","","0.1216","0.1281","","","","","","1.039","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080117","15.4161","0.0004","17.4607","0.0004","15.9777","0.0004","90","","114.938","0.003","90","","3899.82","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H114 N4 S4 Yb2 -","- C86 H114 N4 S4 Yb2 -","- C172 H228 N8 S8 Yb4 -","2","0.5","","Basalov, Ivan V.; Lyubov, Dmitry M.; Fukin, Georgy K.; Cherkasov, Anton V.; Trifonov, Alexander A.","Reactivity of Ytterbium(II) Hydride. Redox Reactions: Ytterbium(II) vs Hydrido Ligand. Metathesis of the Yb‒H Bond","Organometallics","2013","32","5","1507","","10.1021/om400015k","","","0.71073","MoKα","","0.091","0.05","","","0.0667","0.0742","","","","","","0.945","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080118","20.671","0.002","26.709","0.003","29.791","0.003","111.023","0.002","106.486","0.003","97.723","0.003","14200","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C91.67 H139.67 N6 O4.17 Yb2 -","- C91.6667 H139.667 N6 O4.16667 Yb2 -","- C550 H838 N36 O25 Yb12 -","6","3","","Basalov, Ivan V.; Lyubov, Dmitry M.; Fukin, Georgy K.; Cherkasov, Anton V.; Trifonov, Alexander A.","Reactivity of Ytterbium(II) Hydride. Redox Reactions: Ytterbium(II) vs Hydrido Ligand. Metathesis of the Yb‒H Bond","Organometallics","2013","32","5","1507","","10.1021/om400015k","","","0.71073","MoKα","","0.3462","0.1105","","","0.1754","0.2314","","","","","","0.823","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080119","15.29584","0.00019","21.1987","0.0003","19.8807","0.0003","90","","90.6024","0.0012","90","","6446","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H97 N4 P Yb2 -","- C70 H97 N4 P Yb2 -","- C280 H388 N16 P4 Yb8 -","4","0.5","","Basalov, Ivan V.; Lyubov, Dmitry M.; Fukin, Georgy K.; Cherkasov, Anton V.; Trifonov, Alexander A.","Reactivity of Ytterbium(II) Hydride. Redox Reactions: Ytterbium(II) vs Hydrido Ligand. Metathesis of the Yb‒H Bond","Organometallics","2013","32","5","1507","","10.1021/om400015k","","","0.71073","MoKα","","0.0682","0.0409","","","0.0572","0.0613","","","","","","1.037","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080120","11.9708","0.0007","13.2488","0.0007","27.7865","0.0016","90","","93.543","0.001","90","","4398.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H73 N2 O Si2 Yb -","- C41 H73 N2 O Si2 Yb -","- C164 H292 N8 O4 Si8 Yb4 -","4","1","","Basalov, Ivan V.; Lyubov, Dmitry M.; Fukin, Georgy K.; Cherkasov, Anton V.; Trifonov, Alexander A.","Reactivity of Ytterbium(II) Hydride. Redox Reactions: Ytterbium(II) vs Hydrido Ligand. Metathesis of the Yb‒H Bond","Organometallics","2013","32","5","1507","","10.1021/om400015k","","","0.71073","MoKα","","0.0384","0.0294","","","0.0672","0.0702","","","","","","1.058","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080121","11.5785","0.0005","14.3272","0.0005","16.7733","0.0008","90","","97.621","0.004","90","","2757.9","0.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H60 K2 N2 P4 S2 Si2 -","- C56 H60 K2 N2 P4 S2 Si2 -","- C112 H120 K4 N4 P8 S4 Si4 -","2","0.5","","Murugesapandian, Balasubramanian; Kuzdrowska, Magdalena; Gamer, Michael T.; Hartenstein, Larissa; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methanide {CH(PPh2NSiMe3)(Ph2PS)}−as a Ligand in Rare-Earth-Element Chemistry","Organometallics","2013","32","5","1500","1506","10.1021/om400001e","","","0.71073","MoKα","","0.0898","0.0403","","","0.0501","0.057","","","","","","0.803","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080122","9.77838","0.00024","33.7778","0.0011","11.5709","0.0003","90","","111.613","0.0018","90","","3553.08","0.18","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Cl2 Dy N O P2 S Si -","- C32 H38 Cl2 Dy N O P2 S Si -","- C128 H152 Cl8 Dy4 N4 O4 P8 S4 Si4 -","4","1","","Murugesapandian, Balasubramanian; Kuzdrowska, Magdalena; Gamer, Michael T.; Hartenstein, Larissa; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methanide {CH(PPh2NSiMe3)(Ph2PS)}−as a Ligand in Rare-Earth-Element Chemistry","Organometallics","2013","32","5","1500","1506","10.1021/om400001e","","","0.71073","MoKα","","0.0346","0.0291","","","0.0688","0.0709","","","","","","1.042","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080123","9.74712","0.00017","33.7383","0.0008","11.55968","0.00022","90","","111.596","0.0014","90","","3534.55","0.13","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Cl2 Er N O P2 S Si -","- C32 H38 Cl2 Er N O P2 S Si -","- C128 H152 Cl8 Er4 N4 O4 P8 S4 Si4 -","4","1","","Murugesapandian, Balasubramanian; Kuzdrowska, Magdalena; Gamer, Michael T.; Hartenstein, Larissa; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methanide {CH(PPh2NSiMe3)(Ph2PS)}−as a Ligand in Rare-Earth-Element Chemistry","Organometallics","2013","32","5","1500","1506","10.1021/om400001e","","","0.71073","MoKα","","0.0414","0.0279","","","0.0531","0.0562","","","","","","0.99","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080124","17.9574","0.0008","18.1055","0.0005","28.2892","0.001","90","","92.465","0.003","90","","9189.1","0.6","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H58 N3 P2 S Si5 Y -","- C36 H58 N3 P2 S Si5 Y -","- C288 H464 N24 P16 S8 Si40 Y8 -","8","4","","Murugesapandian, Balasubramanian; Kuzdrowska, Magdalena; Gamer, Michael T.; Hartenstein, Larissa; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methanide {CH(PPh2NSiMe3)(Ph2PS)}−as a Ligand in Rare-Earth-Element Chemistry","Organometallics","2013","32","5","1500","1506","10.1021/om400001e","","","0.71073","MoKα","","0.1297","0.0548","","","0.0717","0.0865","","","","","","0.803","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080125","18.1063","0.0005","18.3094","0.0008","28.5034","0.0009","90","","92.609","0.002","90","","9439.5","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 N3 P2 S Si5 Sm -","- C36 H58 N3 P2 S Si5 Sm -","- C288 H464 N24 P16 S8 Si40 Sm8 -","8","2","","Murugesapandian, Balasubramanian; Kuzdrowska, Magdalena; Gamer, Michael T.; Hartenstein, Larissa; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methanide {CH(PPh2NSiMe3)(Ph2PS)}−as a Ligand in Rare-Earth-Element Chemistry","Organometallics","2013","32","5","1500","1506","10.1021/om400001e","","","0.71073","MoKα","","0.1603","0.076","","","0.114","0.1355","","","","","","0.991","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080126","17.9443","0.0006","18.0724","0.0003","28.227","0.001","90","","92.458","0.003","90","","9145.5","0.5","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H58 Er N3 P2 S Si5 -","- C36 H58 Er N3 P2 S Si5 -","- C288 H464 Er8 N24 P16 S8 Si40 -","8","4","","Murugesapandian, Balasubramanian; Kuzdrowska, Magdalena; Gamer, Michael T.; Hartenstein, Larissa; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methanide {CH(PPh2NSiMe3)(Ph2PS)}−as a Ligand in Rare-Earth-Element Chemistry","Organometallics","2013","32","5","1500","1506","10.1021/om400001e","","","0.71073","MoKα","","0.0383","0.0293","","","0.0571","0.0583","","","","","","0.82","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080127","18.0044","0.0004","18.1553","0.0004","28.2986","0.0006","90","","92.596","0.002","90","","9240.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H58 Lu N3 P2 S Si5 -","- C36 H58 Lu N3 P2 S Si5 -","- C288 H464 Lu8 N24 P16 S8 Si40 -","8","2","","Murugesapandian, Balasubramanian; Kuzdrowska, Magdalena; Gamer, Michael T.; Hartenstein, Larissa; Roesky, Peter W.","(Iminophosphoranyl)(thiophosphoranyl)methanide {CH(PPh2NSiMe3)(Ph2PS)}−as a Ligand in Rare-Earth-Element Chemistry","Organometallics","2013","32","5","1500","1506","10.1021/om400001e","","","0.71073","MoKα","","0.0905","0.0679","","","0.1094","0.1152","","","","","","1.284","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080128","12.1707","0.0006","19.6297","0.001","20.3094","0.001","61.861","0.004","87.197","0.004","77.763","0.004","4174","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H63 N4 O Si4 Y -","- C33 H63 N4 O Si4 Y -","- C132 H252 N16 O4 Si16 Y4 -","4","2","","Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands","Organometallics","2013","32","5","1209","","10.1021/om301010m","","","0.71073","MoKα","","0.0946","0.0841","","","0.1229","0.1256","","","","","","1.433","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080129","18.758","0.004","11.075","0.002","21.964","0.004","90","","93.14","0.03","90","","4556.1","1.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H71 N4 O Si4 Y -","- C37 H71 N4 O Si4 Y -","- C148 H284 N16 O4 Si16 Y4 -","4","1","","Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands","Organometallics","2013","32","5","1209","","10.1021/om301010m","","","0.71073","MoKα","","0.1318","0.0954","","","0.1522","0.1642","","","","","","1.244","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080130","11.5677","0.0011","12.5648","0.0011","12.6101","0.0011","112.244","0.007","102.724","0.007","91.594","0.007","1642.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H51 Al2 N2 Y -","- C29 H51 Al2 N2 Y -","- C58 H102 Al4 N4 Y2 -","2","1","","Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands","Organometallics","2013","32","5","1209","","10.1021/om301010m","","","0.71073","MoKα","","0.0727","0.0696","","","0.172","0.1746","","","","","","1.109","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080131","20.3515","0.0014","18.6499","0.0011","12.4888","0.0008","90","","96.487","0.005","90","","4709.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H72 Al3 La N2 -","- C42.5 H72 Al3 La N2 -","- C170 H288 Al12 La4 N8 -","4","1","","Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands","Organometallics","2013","32","5","1209","","10.1021/om301010m","","","0.71073","MoKα","","0.0612","0.0474","","","0.088","0.0926","","","","","","1.145","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080132","28.475","0.006","9.796","0.002","24.756","0.005","90","","114.67","0.03","90","","6275","3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H47 Al2 N2 Y -","- C27 H47 Al2 N2 Y -","- C216 H376 Al16 N16 Y8 -","8","2","","Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands","Organometallics","2013","32","5","1209","","10.1021/om301010m","","","0.71073","MoKα","","0.0945","0.0745","","","0.1454","0.1534","","","","","","1.2","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080133","10.238","0.002","14.998","0.003","27.636","0.002","75.1","0.03","79.68","0.03","74.01","0.03","3915.3","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H118 Al6 La2 N4 -","- C64 H118 Al6 La2 N4 -","- C128 H236 Al12 La4 N8 -","2","1","","Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands","Organometallics","2013","32","5","1209","","10.1021/om301010m","","","0.71073","MoKα","","0.1151","0.0708","","","0.1557","0.1738","","","","","","1.078","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080134","13.249","0.003","16.148","0.003","17.544","0.004","90","","100.35","0.03","90","","3692.4","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H59 Al2 N2 Y -","- C33 H59 Al2 N2 Y -","- C132 H236 Al8 N8 Y4 -","4","1","","Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands","Organometallics","2013","32","5","1209","","10.1021/om301010m","","","0.71073","MoKα","","0.1183","0.0902","","","0.136","0.1439","","","","","","1.309","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080135","13.323","0.003","16.235","0.003","17.615","0.004","90","","99.65","0.03","90","","3756.2","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H59 Al2 La N2 -","- C33 H59 Al2 La N2 -","- C132 H236 Al8 La4 N8 -","4","1","","Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands","Organometallics","2013","32","5","1209","","10.1021/om301010m","","","0.71073","MoKα","","0.0534","0.0398","","","0.0825","0.0869","","","","","","1.081","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080136","9.2439","0.0003","12.2091","0.0004","16.2281","0.0005","110.156","0.002","93.658","0.002","106.79","0.002","1618.63","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H51 Al2 N2 Y -","- C29 H51 Al2 N2 Y -","- C58 H102 Al4 N4 Y2 -","2","1","","Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands","Organometallics","2013","32","5","1209","","10.1021/om301010m","","","0.71073","MoKα","","0.0472","0.0335","","","0.0846","0.0896","","","","","","1.073","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080137","9.2922","0.0019","12.29","0.003","16.392","0.003","109.91","0.03","94.15","0.03","105.93","0.03","1663.8","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H51 Al2 La N2 -","- C29 H51 Al2 La N2 -","- C58 H102 Al4 La2 N4 -","2","1","","Hamidi, Shima; Jende, Lars N.; Martin Dietrich, H.; Maichle-Mössmer, Cäcilia; Törnroos, Karl W.; Deacon, Glen B.; Junk, Peter C.; Anwander, Reiner","C‒H Bond Activation and Isoprene Polymerization by Rare-Earth-Metal Tetramethylaluminate Complexes Bearing Formamidinato N-Ancillary Ligands","Organometallics","2013","32","5","1209","","10.1021/om301010m","","","0.71073","MoKα","","0.0463","0.035","","","0.0723","0.0754","","","","","","1.04","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080138","11.9605","0.0004","23.4161","0.0008","12.3163","0.0004","90","","107.273","0.001","90","","3293.84","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H82 N8 Y2 -","- C78 H82 N8 Y2 -","- C156 H164 N16 Y4 -","2","0.5","","Kaneko, Hiroshi; Dietrich, H. Martin; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Tsurugi, Hayato; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner","Synthesis of Rare-Earth-Metal Iminopyrrolyl Complexes from Alkyl Precursors: Ln→Al N-Ancillary Ligand Transfer","Organometallics","2013","32","5","1199","","10.1021/om301002n","","","0.71073","MoKα","","0.0588","0.0395","","","0.0858","0.0943","","","","","","1.086","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080139","15.4304","0.0007","13.3008","0.0006","20.8582","0.001","90","","93.685","0.001","90","","4272","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H64 N4 Y -","- C47 H64 N4 Y -","- C188 H256 N16 Y4 -","4","1","","Kaneko, Hiroshi; Dietrich, H. Martin; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Tsurugi, Hayato; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner","Synthesis of Rare-Earth-Metal Iminopyrrolyl Complexes from Alkyl Precursors: Ln→Al N-Ancillary Ligand Transfer","Organometallics","2013","32","5","1199","","10.1021/om301002n","","","0.71073","MoKα","","0.0645","0.0481","","","0.1043","0.1118","","","","","","1.094","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080140","9.9779","0.0004","16.8309","0.0006","21.997","0.0008","90","","92.77","0.001","90","","3689.8","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 N2 Y -","- C43 H57 N2 Y -","- C172 H228 N8 Y4 -","4","1","","Kaneko, Hiroshi; Dietrich, H. Martin; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Tsurugi, Hayato; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner","Synthesis of Rare-Earth-Metal Iminopyrrolyl Complexes from Alkyl Precursors: Ln→Al N-Ancillary Ligand Transfer","Organometallics","2013","32","5","1199","","10.1021/om301002n","","","0.71073","MoKα","","0.0492","0.0318","","","0.0704","0.0777","","","","","","1.045","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080141","11.0471","0.0005","18.7061","0.0009","13.7101","0.0006","90","","109.152","0.001","90","","2676.4","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Al2 La2 N4 -","- C44 H72 Al2 La2 N4 -","- C88 H144 Al4 La4 N8 -","2","0.5","","Kaneko, Hiroshi; Dietrich, H. Martin; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Tsurugi, Hayato; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner","Synthesis of Rare-Earth-Metal Iminopyrrolyl Complexes from Alkyl Precursors: Ln→Al N-Ancillary Ligand Transfer","Organometallics","2013","32","5","1199","","10.1021/om301002n","","","0.71073","MoKα","","0.053","0.0503","","","0.1281","0.1294","","","","","","1.244","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080142","9.2848","0.0003","11.5466","0.0004","12.5982","0.0005","105.821","0.001","106.197","0.001","93.899","0.001","1232.62","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H37 Al2 N2 Y -","- C21 H37 Al2 N2 Y -","- C42 H74 Al4 N4 Y2 -","2","1","","Kaneko, Hiroshi; Dietrich, H. Martin; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Tsurugi, Hayato; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner","Synthesis of Rare-Earth-Metal Iminopyrrolyl Complexes from Alkyl Precursors: Ln→Al N-Ancillary Ligand Transfer","Organometallics","2013","32","5","1199","","10.1021/om301002n","","","0.71073","MoKα","","0.0227","0.0198","","","0.0509","0.052","","","","","","1.081","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080143","8.5714","0.0016","8.6724","0.0016","19.893","0.004","90","","96.567","0.005","90","","1469","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Al N2 -","- C15 H19 Al N2 -","- C60 H76 Al4 N8 -","4","1","","Kaneko, Hiroshi; Dietrich, H. Martin; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Tsurugi, Hayato; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner","Synthesis of Rare-Earth-Metal Iminopyrrolyl Complexes from Alkyl Precursors: Ln→Al N-Ancillary Ligand Transfer","Organometallics","2013","32","5","1199","","10.1021/om301002n","","","0.71073","MoKα","","0.0397","0.035","","","0.0894","0.0931","","","","","","1.077","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080144","9.7346","0.0005","17.5172","0.0011","20.4851","0.0013","90","","95.894","0.004","90","","3474.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 N6 Y -","- C39 H39 N6 Y -","- C156 H156 N24 Y4 -","4","1","","Kaneko, Hiroshi; Dietrich, H. Martin; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Tsurugi, Hayato; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner","Synthesis of Rare-Earth-Metal Iminopyrrolyl Complexes from Alkyl Precursors: Ln→Al N-Ancillary Ligand Transfer","Organometallics","2013","32","5","1199","","10.1021/om301002n","","","1.54178","CuKα","","0.0666","0.0459","","","0.1111","0.117","","","","","","1.323","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080145","15.657","0.003","16.6","0.003","19.979","0.004","95.93","0.03","109.49","0.03","102.26","0.03","4697","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H52 F6 N4 O10 Ru2 S2 -","- C40 H52 F6 N4 O10 Ru2 S2 -","- C160 H208 F24 N16 O40 Ru8 S8 -","4","2","","Vajpayee, Vaishali; Lee, Sun mi; Park, Joeng Woo; Dubey, Abhishek; Kim, Hyunuk; Cook, Timothy R.; Stang, Peter J.; Chi, Ki-Whan","Growth Inhibitory Activity of a Bis-Benzimidazole-Bridged Arene Ruthenium Metalla-Rectangle and -Prism","Organometallics","2013","32","6","1563","1566","10.1021/om301174s","","","0.75","synchrotron","","0.0959","0.0836","","","0.3084","0.3228","","","","","","1.203","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080146","8.6475","0.0002","12.3083","0.0003","13.467","0.0003","90","","90.181","0.002","90","","1433.37","0.06","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Au Cl P -","- C14 H17 Au Cl P -","- C56 H68 Au4 Cl4 P4 -","4","1","","Fourmy, Kévin; Mallet-Ladeira, Sonia; Dechy-Cabaret, Odile; Gouygou, Maryse","Gold Phosphole Complexes as Efficient Catalysts for Alkyne Activation","Organometallics","2013","32","6","1571","1574","10.1021/om301244m","","x-ray","0.71073","MoKα","","0.0468","0.0443","","","0.1231","0.1252","","","","","","1.062","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080147","11.2945","0.0005","12.3781","0.0006","16.0285","0.0007","90","","110.382","0.002","90","","2100.56","0.17","180","2","180","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Au F6 N P Sb -","- C16 H20 Au F6 N P Sb -","- C64 H80 Au4 F24 N4 P4 Sb4 -","4","1","","Fourmy, Kévin; Mallet-Ladeira, Sonia; Dechy-Cabaret, Odile; Gouygou, Maryse","Gold Phosphole Complexes as Efficient Catalysts for Alkyne Activation","Organometallics","2013","32","6","1571","1574","10.1021/om301244m","","x-ray","0.71073","MoKα","","0.0249","0.0196","","","0.0475","0.0499","","","","","","1.047","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080148","9.8877","0.0004","17.1927","0.0007","22.3641","0.001","90","","90","","90","","3801.8","0.3","180","2","180","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C22 H17 Au Cl P -","- C22 H17 Au Cl P -","- C176 H136 Au8 Cl8 P8 -","8","1","","Fourmy, Kévin; Mallet-Ladeira, Sonia; Dechy-Cabaret, Odile; Gouygou, Maryse","Gold Phosphole Complexes as Efficient Catalysts for Alkyne Activation","Organometallics","2013","32","6","1571","1574","10.1021/om301244m","","x-ray","0.71073","MoKα","","0.0141","0.0126","","","0.0329","0.034","","","","","","1.167","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080149","17.845","0.005","10.692","0.003","18.267","0.006","90","","118.197","0.003","90","","3071.7","1.6","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","MePNPRhOTF","","","- C27 H40 F3 N O3 P2 Rh S -","- C27 H40 F3 N O3 P2 Rh S -","- C108 H160 F12 N4 O12 P8 Rh4 S4 -","4","1","","Smith, Dan A.; Herbert, David E.; Walensky, Justin R.; Ozerov, Oleg V.","Monomeric Rhodium(II) Complexes Supported by a Diarylamido/Bis(phosphine) PNP Pincer Ligand and Their Reactivity Toward Dihydrogen","Organometallics","2013","32","7","2050","","10.1021/om300760j","","","0.71073","MoKα","","0.028","0.0236","","","0.0595","0.0623","","","","","","1.036","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080150","12.63","0.03","13.75","0.04","15.86","0.07","101.55","0.04","96.3","0.05","115.73","0.03","2370","14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","(MePNPiPr)Rh(OSiPh3)","","","- C51 H63 N O P2 Rh Si -","- C51 H63 N O P2 Rh Si -","- C102 H126 N2 O2 P4 Rh2 Si2 -","2","1","","Smith, Dan A.; Herbert, David E.; Walensky, Justin R.; Ozerov, Oleg V.","Monomeric Rhodium(II) Complexes Supported by a Diarylamido/Bis(phosphine) PNP Pincer Ligand and Their Reactivity Toward Dihydrogen","Organometallics","2013","32","7","2050","","10.1021/om300760j","","","0.71073","MoKα","","0.1083","0.0588","","","0.1209","0.1461","","","","","","0.916","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080151","10.394","0.007","15.819","0.011","17.659","0.012","90","","90","","90","","2904","3","163","2","163","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Me-PNPiPr Rh (II) acetate","","","- C28 H43 N O2 P2 Rh -","- C28 H43 N O2 P2 Rh -","- C112 H172 N4 O8 P8 Rh4 -","4","1","","Smith, Dan A.; Herbert, David E.; Walensky, Justin R.; Ozerov, Oleg V.","Monomeric Rhodium(II) Complexes Supported by a Diarylamido/Bis(phosphine) PNP Pincer Ligand and Their Reactivity Toward Dihydrogen","Organometallics","2013","32","7","2050","","10.1021/om300760j","","","0.71073","MoKα","","0.0398","0.0345","","","0.0766","0.0795","","","","","","1.025","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080152","26.147","0.015","14.062","0.008","8.548","0.005","90","","90","","90","","3143","3","110","2","110","2","","","","","","","","7","P n a 21","P 2c -2n","33","MePNPRh(II) para-fluorophenoxide","","","- C32 H44 F N O P2 Rh -","- C32 H44 F N O P2 Rh -","- C128 H176 F4 N4 O4 P8 Rh4 -","4","1","","Smith, Dan A.; Herbert, David E.; Walensky, Justin R.; Ozerov, Oleg V.","Monomeric Rhodium(II) Complexes Supported by a Diarylamido/Bis(phosphine) PNP Pincer Ligand and Their Reactivity Toward Dihydrogen","Organometallics","2013","32","7","2050","","10.1021/om300760j","","","0.71073","MoKα","","0.0436","0.0332","","","0.0652","0.0693","","","","","","1.02","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080153","11.506","0.004","9.706","0.004","18.323","0.005","90","","127.603","0.014","90","","1621.2","1","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","(Me-PNP-iPr)RhCl","","","- C26 H40 Cl N P2 Rh -","- C26 H40 Cl N P2 Rh -","- C52 H80 Cl2 N2 P4 Rh2 -","2","0.5","","Smith, Dan A.; Herbert, David E.; Walensky, Justin R.; Ozerov, Oleg V.","Monomeric Rhodium(II) Complexes Supported by a Diarylamido/Bis(phosphine) PNP Pincer Ligand and Their Reactivity Toward Dihydrogen","Organometallics","2013","32","7","2050","","10.1021/om300760j","","","0.71073","MoKα","","0.0365","0.0316","","","0.0785","0.0805","","","","","","1.064","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080154","9.584","0.0009","11.3082","0.0011","12.4037","0.0012","91.135","0.001","94.768","0.001","110.576","0.001","1252.4","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 N2 -","- C32 H28 N2 -","- C64 H56 N4 -","2","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang","Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene","Organometallics","2013","32","8","2291","","10.1021/om300883h","","","0.71073","MoKα","","0.0607","0.0413","","","0.1021","0.1157","","","","","","1.012","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080155","10.5237","0.0018","21.689","0.004","15.496","0.003","90","","109.85","0.01","90","","3326.8","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 N2 -","- C40 H44 N2 -","- C160 H176 N8 -","4","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang","Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene","Organometallics","2013","32","8","2291","","10.1021/om300883h","","","0.71073","MoKα","","0.0704","0.0441","","","0.1049","0.1208","","","","","","1.021","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080156","8.7514","0.0015","13.562","0.002","22.65","0.004","90","","90","","90","","2688.2","0.8","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C136 H128 N8 -","4","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang","Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene","Organometallics","2013","32","8","2291","","10.1021/om300883h","","","0.71073","MoKα","","0.0701","0.047","","","0.1233","0.1391","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080157","16.846","0.002","13.7766","0.0018","22.911","0.003","90","","90","","90","","5317.2","1.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H26 Br2 N2 -","- C32 H26 Br2 N2 -","- C256 H208 Br16 N16 -","8","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang","Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene","Organometallics","2013","32","8","2291","","10.1021/om300883h","","","0.71073","MoKα","","0.1064","0.0455","","","0.1","0.1241","","","","","","1.002","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080158","17.7877","0.0011","16.6656","0.0011","18.986","0.0012","90","","90","","90","","5628.3","0.6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H28 Br2 N2 Ni -","- C32 H28 Br2 N2 Ni -","- C256 H224 Br16 N16 Ni8 -","8","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang","Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene","Organometallics","2013","32","8","2291","","10.1021/om300883h","","","0.71073","MoKα","","0.0589","0.0363","","","0.0843","0.0978","","","","","","1.018","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080159","12.482","0.002","17.805","0.003","18.236","0.003","90","","101.502","0.002","90","","3971.4","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H92 Br4 Cl4 N4 Ni2 -","- C82 H92 Br4 Cl4 N4 Ni2 -","- C164 H184 Br8 Cl8 N8 Ni4 -","2","0.5","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang","Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene","Organometallics","2013","32","8","2291","","10.1021/om300883h","","","0.71073","MoKα","","0.0471","0.03","","","0.0698","0.0779","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080160","8.801","0.0009","16.94","0.0016","20.792","0.002","90","","90.819","0.001","90","","3099.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Br2 N2 Ni -","- C34 H32 Br2 N2 Ni -","- C136 H128 Br8 N8 Ni4 -","4","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang","Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene","Organometallics","2013","32","8","2291","","10.1021/om300883h","","","0.71073","MoKα","","0.0683","0.0451","","","0.1088","0.1232","","","","","","1.024","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080161","8.787","0.004","41.362","0.019","18.251","0.008","90","","103.93","","90","","6438","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H54 Br8 Cl2 N4 Ni2 -","- C65 H54 Br8 Cl2 N4 Ni2 -","- C260 H216 Br32 Cl8 N16 Ni8 -","4","1","","Huo, Ping; Liu, Wanyun; He, Xiaohui; Wang, Hongming; Chen, Yiwang","Nickel(II) Complexes with Three-Dimensional Geometry α-Diimine Ligands: Synthesis and Catalytic Activity toward Copolymerization of Norbornene","Organometallics","2013","32","8","2291","","10.1021/om300883h","","","0.71073","MoKα","","0.1111","0.0484","","","0.0996","0.1199","","","","","","1.008","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080162","9.2161","0.0011","25.684","0.003","12.9507","0.0015","90","","109.035","0.003","90","","2897.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4","","","- C58 H80 P4 Pt2 S2 -","- C58 H80 P4 Pt2 S2 -","- C116 H160 P8 Pt4 S4 -","2","0.5","","Nguyen, Minh-Hai; Wong, Chun-Yuen; Yip, John H. K.","Ligand Perturbations on Fluorescence of Dinuclear Platinum Complexes of 5,12-Diethynyltetracene: A Spectroscopic and Computational Study","Organometallics","2013","32","6","1620","","10.1021/om300904b","","","0.71073","MoKα","","0.1454","0.0844","","","0.1687","0.188","","","","","","1.126","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080163","8.905","0.0008","11.5177","0.0011","27.949","0.003","90","","93.569","0.002","90","","2861","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","5","","","- C58 H80 Cl0 P4 Pt2 Se2 -","- C58 H80 P4 Pt2 Se2 -","- C116 H160 P8 Pt4 Se4 -","2","0.5","","Nguyen, Minh-Hai; Wong, Chun-Yuen; Yip, John H. K.","Ligand Perturbations on Fluorescence of Dinuclear Platinum Complexes of 5,12-Diethynyltetracene: A Spectroscopic and Computational Study","Organometallics","2013","32","6","1620","","10.1021/om300904b","","","0.71073","MoKα","","0.1142","0.0863","","","0.1717","0.1804","","","","","","1.225","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080164","9.5196","0.0004","17.2407","0.0008","18.7566","0.0008","71.52","0.001","80.678","0.001","81.328","0.001","2864.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","6","","","- C62 H80 P4 Pt2 -","- C62 H80 P4 Pt2 -","- C124 H160 P8 Pt4 -","2","1","","Nguyen, Minh-Hai; Wong, Chun-Yuen; Yip, John H. K.","Ligand Perturbations on Fluorescence of Dinuclear Platinum Complexes of 5,12-Diethynyltetracene: A Spectroscopic and Computational Study","Organometallics","2013","32","6","1620","","10.1021/om300904b","","","0.71073","MoKα","","0.0413","0.0357","","","0.0879","0.0907","","","","","","1.069","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080165","9.4901","0.0004","11.5318","0.0005","20.5678","0.0009","81.069","0.001","89.872","0.001","80.764","0.001","2194.19","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","7","","","- C86 H104 Cl4 F6 O6 P6 Pt2 S2 -","- C86 H104 Cl4 F6 O6 P6 Pt2 S2 -","- C86 H104 Cl4 F6 O6 P6 Pt2 S2 -","1","0.5","","Nguyen, Minh-Hai; Wong, Chun-Yuen; Yip, John H. K.","Ligand Perturbations on Fluorescence of Dinuclear Platinum Complexes of 5,12-Diethynyltetracene: A Spectroscopic and Computational Study","Organometallics","2013","32","6","1620","","10.1021/om300904b","","","0.71073","MoKα","","0.0437","0.0395","","","0.0974","0.0991","","","","","","1.154","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080166","22.9582","0.001","10.8973","0.0005","29.5076","0.0013","90","","91.5","0.001","90","","7379.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","8","","","- C61.5 H103 F6 O7.5 P6 Pt2 S2 -","- C61.5 H103 F6 O7.5 P6 Pt2 S2 -","- C246 H412 F24 O30 P24 Pt8 S8 -","4","1","","Nguyen, Minh-Hai; Wong, Chun-Yuen; Yip, John H. K.","Ligand Perturbations on Fluorescence of Dinuclear Platinum Complexes of 5,12-Diethynyltetracene: A Spectroscopic and Computational Study","Organometallics","2013","32","6","1620","","10.1021/om300904b","","","0.71073","MoKα","","0.0802","0.0572","","","0.1438","0.1581","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080167","9.2429","0.0008","20.0203","0.0017","37.838","0.003","90","","95.066","0.002","90","","6974.4","1","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","9","","","- C60 H84 Cl4 F6 N2 O6 P4 Pt2 S2 -","- C60 H84 Cl4 F6 N2 O6 P4 Pt2 S2 -","- C240 H336 Cl16 F24 N8 O24 P16 Pt8 S8 -","4","0.5","","Nguyen, Minh-Hai; Wong, Chun-Yuen; Yip, John H. K.","Ligand Perturbations on Fluorescence of Dinuclear Platinum Complexes of 5,12-Diethynyltetracene: A Spectroscopic and Computational Study","Organometallics","2013","32","6","1620","","10.1021/om300904b","","","0.71073","MoKα","","0.0455","0.0416","","","0.0931","0.0946","","","","","","1.245","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080168","11.1873","0.0016","11.9314","0.0017","15.713","0.002","69.757","0.002","87.328","0.002","65.752","0.002","1783","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[Me3NN]Ni(CNAr)2","","","- C41 H47 N4 Ni -","- C41 H47 N4 Ni -","- C82 H94 N8 Ni2 -","2","1","","Wiese, Stefan; Aguila, Mae Joanne B.; Kogut, Elzbieta; Warren, Timothy H.","β-Diketiminato Nickel Imides in Catalytic Nitrene Transfer to Isocyanides","Organometallics","2013","32","8","2300","","10.1021/om300909n","","","0.71073","MoKα","","0.0667","0.0434","","","0.0943","0.1046","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080169","10.6222","0.0006","21.5359","0.0011","20.3535","0.0011","90","","93.514","0.001","90","","4647.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{[Me2NN]Ni}2(m-NAd)","","","- C52 H62 N5 Ni2 O0.5 -","- C52 H62 N5 Ni2 O0.5 -","- C208 H248 N20 Ni8 O2 -","4","1","","Wiese, Stefan; Aguila, Mae Joanne B.; Kogut, Elzbieta; Warren, Timothy H.","β-Diketiminato Nickel Imides in Catalytic Nitrene Transfer to Isocyanides","Organometallics","2013","32","8","2300","","10.1021/om300909n","","","0.71073","MoKα","","0.0535","0.0365","","","0.0863","0.094","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080170","11.2225","0.0012","11.4744","0.0012","12.0113","0.0013","89.293","0.001","65.114","0.001","79.469","0.001","1375.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[Me3NN]Ni(N3)(pic)","","","- C29 H36 N6 Ni -","- C29 H36 N6 Ni -","- C58 H72 N12 Ni2 -","2","1","","Wiese, Stefan; Aguila, Mae Joanne B.; Kogut, Elzbieta; Warren, Timothy H.","β-Diketiminato Nickel Imides in Catalytic Nitrene Transfer to Isocyanides","Organometallics","2013","32","8","2300","","10.1021/om300909n","","","0.71073","MoKα","","0.0529","0.0376","","","0.0912","0.0973","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080171","22.103","0.015","8.942","0.009","22.82","0.02","90","","108.48","0.03","90","","4278","6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{[Me3NN]Ni}2(m-CO)2","","","- C24 H29 N2 Ni O -","- C24 H29 N2 Ni O -","- C192 H232 N16 Ni8 O8 -","8","1","","Wiese, Stefan; Aguila, Mae Joanne B.; Kogut, Elzbieta; Warren, Timothy H.","β-Diketiminato Nickel Imides in Catalytic Nitrene Transfer to Isocyanides","Organometallics","2013","32","8","2300","","10.1021/om300909n","","","0.71073","MoKα","","0.1095","0.0511","","","0.1201","0.1355","","","","","","0.967","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080172","21.146","0.004","18.933","0.004","27.182","0.005","90","","109.01","0.03","90","","10289","4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H88 N4 Sc -","- C54 H88 N4 Sc -","- C432 H704 N32 Sc8 -","8","1","","Chu, Terry; Piers, Warren E.; Dutton, Jason L.; Parvez, Masood","Synthesis and Reactivity of a Terminal Scandium Imido Complex","Organometallics","2013","32","5","1159","","10.1021/om300913d","","","0.71073","MoKα","","0.0737","0.0583","","","0.1558","0.181","","","","","","1.128","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080173","13.6417","0.0002","18.0956","0.0003","23.0011","0.0003","90","","103.867","0.0008","90","","5512.44","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 N3 Sc -","- C60 H88 N3 Sc -","- C240 H352 N12 Sc4 -","4","1","","Chu, Terry; Piers, Warren E.; Dutton, Jason L.; Parvez, Masood","Synthesis and Reactivity of a Terminal Scandium Imido Complex","Organometallics","2013","32","5","1159","","10.1021/om300913d","","","0.71073","MoKα","","0.1021","0.0709","","","0.1273","0.1413","","","","","","1.227","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080174","10.106","0.003","14.562","0.003","20.551","0.005","90","","93.202","0.008","90","","3019.6","1.3","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 Al N2 -","- C32 H50 Al N2 -","- C128 H200 Al4 N8 -","4","1","","Li, Jianfeng; Zhang, Kun; Huang, Hanmin; Yu, Ao; Hu, Hongfan; Cui, Haiyan; Cui, Chunming","Synthesis and Reactions of a Redox-Active α-Diimine Aluminum Complex","Organometallics","2013","32","6","1630","","10.1021/om300920y","","","1.54178","CuKα","","0.0794","0.0697","","","0.1764","0.189","","","","","","1.09","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080175","9.1208","0.0018","9.921","0.002","18.795","0.004","86.61","0.03","83.07","0.03","65.02","0.03","1530.3","0.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H49 Al N2 -","- C32 H49 Al N2 -","- C64 H98 Al2 N4 -","2","1","","Li, Jianfeng; Zhang, Kun; Huang, Hanmin; Yu, Ao; Hu, Hongfan; Cui, Haiyan; Cui, Chunming","Synthesis and Reactions of a Redox-Active α-Diimine Aluminum Complex","Organometallics","2013","32","6","1630","","10.1021/om300920y","","","0.71073","MoKα","","0.0863","0.064","","","0.1778","0.1943","","","","","","1.09","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080176","12.086","0.004","16.987","0.005","13.148","0.004","90","","100.534","0.007","90","","2653.9","1.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 B Cl N2 -","- C28 H40 B Cl N2 -","- C112 H160 B4 Cl4 N8 -","4","1","","Li, Jianfeng; Zhang, Kun; Huang, Hanmin; Yu, Ao; Hu, Hongfan; Cui, Haiyan; Cui, Chunming","Synthesis and Reactions of a Redox-Active α-Diimine Aluminum Complex","Organometallics","2013","32","6","1630","","10.1021/om300920y","","","0.71073","MoKα","","0.0494","0.0367","","","0.0899","0.0949","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080177","11.6977","0.0011","13.3739","0.0013","15.0525","0.0014","112.893","0.005","93.633","0.005","96.203","0.005","2142.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H97 B2 N8 O2 Os2 S2 -","- C99.6 H97 B2 N8 O2 Os2 S2 -","- C99.6 H97 B2 N8 O2 Os2 S2 -","1","0.5","","Sommer, Michael G.; Schweinfurth, David; Weisser, Fritz; Hohloch, Stephan; Sarkar, Biprajit","Substituent-Induced Reactivity in Quinonoid-Bridged Dinuclear Complexes: Comparison between the Ruthenium and Osmium Systems","Organometallics","2013","32","7","2069","","10.1021/om300939x","","","0.71073","MoKα","","0.0783","0.0609","","","0.1261","0.1427","","","","","","1.18","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080178","14.5968","0.0008","14.8242","0.0008","22.9614","0.0013","90","","90.757","0.001","90","","4968.1","0.5","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H60 N3 O0 P2 Sc Si2 -","- C51 H60 N3 P2 Sc Si2 -","- C204 H240 N12 P8 Sc4 Si8 -","4","1","","Rong, Weifeng; Liu, Dongtao; Zuo, Huiping; Pan, Yupeng; Jian, Zhongbao; Li, Shihui; Cui, Dongmei","Rare-Earth-Metal Complexes Bearing Phosphazene Ancillary Ligands: Structures and Catalysis toward Highly Trans-1,4-Selective (Co)Polymerizations of Conjugated Dienes","Organometallics","2013","32","5","1166","","10.1021/om300967h","","","0.71073","MoKα","","0.0757","0.0557","","","0.123","0.1338","","","","","","1.056","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080179","14.5727","0.0005","14.8201","0.0005","23.1035","0.0008","90","","90.76","0.001","90","","4989.2","0.3","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H60 Lu N3 O0 P2 Si2 -","- C51 H60 Lu N3 P2 Si2 -","- C204 H240 Lu4 N12 P8 Si8 -","4","1","","Rong, Weifeng; Liu, Dongtao; Zuo, Huiping; Pan, Yupeng; Jian, Zhongbao; Li, Shihui; Cui, Dongmei","Rare-Earth-Metal Complexes Bearing Phosphazene Ancillary Ligands: Structures and Catalysis toward Highly Trans-1,4-Selective (Co)Polymerizations of Conjugated Dienes","Organometallics","2013","32","5","1166","","10.1021/om300967h","","","0.71073","MoKα","","0.0476","0.0318","","","0.0703","0.0851","","","","","","1.038","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080180","12.4059","0.0009","21.1873","0.0015","17.9735","0.0013","90","","97.811","0.001","90","","4680.5","0.6","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 N3 O0 P2 Sc Si2 -","- C48 H60 N3 P2 Sc Si2 -","- C192 H240 N12 P8 Sc4 Si8 -","4","1","","Rong, Weifeng; Liu, Dongtao; Zuo, Huiping; Pan, Yupeng; Jian, Zhongbao; Li, Shihui; Cui, Dongmei","Rare-Earth-Metal Complexes Bearing Phosphazene Ancillary Ligands: Structures and Catalysis toward Highly Trans-1,4-Selective (Co)Polymerizations of Conjugated Dienes","Organometallics","2013","32","5","1166","","10.1021/om300967h","","","0.71073","MoKα","","0.1098","0.0574","","","0.1097","0.1288","","","","","","0.998","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080181","18.6248","0.0011","14.6409","0.0008","22.5166","0.0013","90","","93.205","0.001","90","","6130.3","0.6","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H76 Lu N3 O0 P2 Si2 -","- C63 H76 Lu N3 P2 Si2 -","- C252 H304 Lu4 N12 P8 Si8 -","4","1","","Rong, Weifeng; Liu, Dongtao; Zuo, Huiping; Pan, Yupeng; Jian, Zhongbao; Li, Shihui; Cui, Dongmei","Rare-Earth-Metal Complexes Bearing Phosphazene Ancillary Ligands: Structures and Catalysis toward Highly Trans-1,4-Selective (Co)Polymerizations of Conjugated Dienes","Organometallics","2013","32","5","1166","","10.1021/om300967h","","","0.71073","MoKα","","0.0667","0.0414","","","0.0891","0.1011","","","","","","1.015","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080182","10.1131","0.0005","10.9594","0.0006","22.0767","0.0011","87.232","0.001","85.16","0.001","73.582","0.001","2337.9","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H62 N O4 P2 Si2 Y -","- C44 H62 N O4 P2 Si2 Y -","- C88 H124 N2 O8 P4 Si4 Y2 -","2","1","","Rong, Weifeng; Liu, Dongtao; Zuo, Huiping; Pan, Yupeng; Jian, Zhongbao; Li, Shihui; Cui, Dongmei","Rare-Earth-Metal Complexes Bearing Phosphazene Ancillary Ligands: Structures and Catalysis toward Highly Trans-1,4-Selective (Co)Polymerizations of Conjugated Dienes","Organometallics","2013","32","5","1166","","10.1021/om300967h","","","0.71073","MoKα","","0.07","0.0486","","","0.1168","0.1307","","","","","","1.033","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080183","19.5696","0.0009","19.7387","0.0009","13.673","0.0006","90","","102.244","0.001","90","","5161.4","0.4","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 B2 N3 Nd O3 P2 -","- C48 H62 B2 N3 Nd O3 P2 -","- C192 H248 B8 N12 Nd4 O12 P8 -","4","1","","Rong, Weifeng; Liu, Dongtao; Zuo, Huiping; Pan, Yupeng; Jian, Zhongbao; Li, Shihui; Cui, Dongmei","Rare-Earth-Metal Complexes Bearing Phosphazene Ancillary Ligands: Structures and Catalysis toward Highly Trans-1,4-Selective (Co)Polymerizations of Conjugated Dienes","Organometallics","2013","32","5","1166","","10.1021/om300967h","","","0.71073","MoKα","","0.0542","0.0395","","","0.1053","0.1124","","","","","","1.038","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080184","17.8105","0.0018","17.8105","0.0018","9.7851","0.001","90","","90","","90","","3104","0.5","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C26 H54 La2 N8 -","- C26 H54 La2 N8 -","- C104 H216 La8 N32 -","4","0.5","","Cui, Peng; Spaniol, Thomas P.; Okuda, Jun","Heterometallic Potassium Rare-Earth-Metal Allyl and Hydrido Complexes Stabilized by a Dianionic (NNNN)-Type Macrocyclic Ancillary Ligand","Organometallics","2013","32","5","1176","","10.1021/om300986w","","","0.71073","MoKα","","0.048","0.0355","","","0.1021","0.1089","","","","","","1.01","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080185","31.638","0.003","9.9754","0.0011","18.728","0.002","90","","125.754","0.002","90","","4796.6","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 K N4 O Y -","- C20 H40 K N4 O Y -","- C160 H320 K8 N32 O8 Y8 -","8","1","","Cui, Peng; Spaniol, Thomas P.; Okuda, Jun","Heterometallic Potassium Rare-Earth-Metal Allyl and Hydrido Complexes Stabilized by a Dianionic (NNNN)-Type Macrocyclic Ancillary Ligand","Organometallics","2013","32","5","1176","","10.1021/om300986w","","","0.71073","MoKα","","0.0721","0.0409","","","0.0834","0.0949","","","","","","0.996","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080186","15.997","0.002","12.2","0.002","18.525","0.004","90","","98.59","0.003","90","","3574.8","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H126 K2 N16 O4 Y4 -","- C56 H126 K2 N16 O4 Y4 -","- C112 H252 K4 N32 O8 Y8 -","2","0.5","","Cui, Peng; Spaniol, Thomas P.; Okuda, Jun","Heterometallic Potassium Rare-Earth-Metal Allyl and Hydrido Complexes Stabilized by a Dianionic (NNNN)-Type Macrocyclic Ancillary Ligand","Organometallics","2013","32","5","1176","","10.1021/om300986w","","","0.71073","MoKα","","0.093","0.0589","","","0.1403","0.1586","","","","","","1.022","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080187","26.465","0.0019","11.1898","0.0008","12.9222","0.0009","90","","90","","90","","3826.8","0.5","150","","150","","","","","","","","","7","P n a m","-P 2c 2n","62","","","","- C50 H119 Li2 N4 O10 Si4 Th2 -","- C50 H123 Li2 N4 O10 Si4 Th2 -","- C100 H246 Li4 N8 O20 Si8 Th4 -","2","0.25","","Hayes, Cassandra E.; Sarazin, Yann; Katz, Michael J.; Carpentier, Jean-François; Leznoff, Daniel B.","Diamido-Ether Actinide Complexes as Initiators for Lactide Ring-Opening Polymerization","Organometallics","2013","32","5","1183","","10.1021/om300993r","","","0.71073","MoKα","","0.1247","0.0824","","0.079","0.075","0.0742","","","","","","3.5262","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080188","17.5704","0.0019","12.6855","0.0014","22.676","0.003","90","","90","","90","","5054.2","1","150","","150","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C36 H88 N4 O6 Si4 U2 -","- C36 H88 N4 O6 Si4 U2 -","- C144 H352 N16 O24 Si16 U8 -","4","","","Hayes, Cassandra E.; Sarazin, Yann; Katz, Michael J.; Carpentier, Jean-François; Leznoff, Daniel B.","Diamido-Ether Actinide Complexes as Initiators for Lactide Ring-Opening Polymerization","Organometallics","2013","32","5","1183","","10.1021/om300993r","","","0.71073","MoKα","","0.1758","0.1157","","0.076","0.0739","0.0729","","","","","","5.4952","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080189","11.5726","0.001","21.379","0.002","28.376","0.003","90","","90.026","0.006","90","","7020.5","1.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H118 N6 O S Si12 U2 -","- C40 H118 N6 O S Si12 U2 -","- C160 H472 N24 O4 S4 Si48 U8 -","4","2","","Brown, Jessie L.; Wu, Guang; Hayton, Trevor W.","Chalcogen Atom Transfer to Uranium(III): Synthesis and Characterization of [(R2N)3U]2(μ-E) and [(R2N)3U]2(μ-η2:η2-S2) (R = SiMe3; E = S, Se, Te)","Organometallics","2013","32","5","1193","","10.1021/om301004q","","","0.71073","MoKα","","0.0939","0.0907","","","0.2119","0.2133","","","","","","1.214","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080190","11.6382","0.0004","11.6617","0.0004","27.9827","0.0011","92.123","0.003","97.622","0.003","118.498","0.002","3286.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H108 N6 S2 Si12 U2 -","- C36 H108 N6 S2 Si12 U2 -","- C72 H216 N12 S4 Si24 U4 -","2","1","","Brown, Jessie L.; Wu, Guang; Hayton, Trevor W.","Chalcogen Atom Transfer to Uranium(III): Synthesis and Characterization of [(R2N)3U]2(μ-E) and [(R2N)3U]2(μ-η2:η2-S2) (R = SiMe3; E = S, Se, Te)","Organometallics","2013","32","5","1193","","10.1021/om301004q","","","0.71073","MoKα","","0.0521","0.0328","","","0.0655","0.0682","","","","","","0.98","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080191","11.6","0.006","21.067","0.011","28.14","0.014","90","","90.827","0.005","90","","6876","6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C43 H115 N6 Se Si12 U2 -","- C43 H114.5 N6 Se Si12 U2 -","- C172 H458 N24 Se4 Si48 U8 -","4","2","","Brown, Jessie L.; Wu, Guang; Hayton, Trevor W.","Chalcogen Atom Transfer to Uranium(III): Synthesis and Characterization of [(R2N)3U]2(μ-E) and [(R2N)3U]2(μ-η2:η2-S2) (R = SiMe3; E = S, Se, Te)","Organometallics","2013","32","5","1193","","10.1021/om301004q","","","0.71073","MoKα","","0.0637","0.0509","","","0.1232","0.1282","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080192","32.0769","0.0015","11.87","0.0008","38.0147","0.0019","90","","113.205","0.002","90","","13303.3","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H108 N6 Si12 Te U2 -","- C36 H108 N6 Si12 Te U2 -","- C288 H864 N48 Si96 Te8 U16 -","8","2","","Brown, Jessie L.; Wu, Guang; Hayton, Trevor W.","Chalcogen Atom Transfer to Uranium(III): Synthesis and Characterization of [(R2N)3U]2(μ-E) and [(R2N)3U]2(μ-η2:η2-S2) (R = SiMe3; E = S, Se, Te)","Organometallics","2013","32","5","1193","","10.1021/om301004q","","","0.71073","MoKα","","0.0751","0.0482","","","0.0826","0.0891","","","","","","1.144","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080193","10.9362","0.0006","10.4056","0.0006","17.3083","0.001","90","","93.29","0.001","90","","1966.4","0.19","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cl N Zr -","- C23 H24 Cl N Zr -","- C92 H96 Cl4 N4 Zr4 -","4","1","","Fan, Guoqin; Xie, Xin; Liu, Yuanhong; Li, Yuxue","Unusual Regioselectivity in the Aldehyde Addition Reactions of Allenyl/Propargyl Zirconium Complexes Derived from γ-(2-Pyridyl)propargyl Ethers: Synthesis of Multisubstituted α-Hydroxyallenes","Organometallics","2013","32","6","1636","","10.1021/om301007z","","","0.71073","MoKα","","0.0214","0.0207","","","0.0604","0.0614","","","","","","1.03","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080194","10.9804","0.0014","9.1245","0.0011","17.616","0.002","90","","100.796","0.002","90","","1733.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl N O -","- C20 H20 Cl N O -","- C80 H80 Cl4 N4 O4 -","4","1","","Fan, Guoqin; Xie, Xin; Liu, Yuanhong; Li, Yuxue","Unusual Regioselectivity in the Aldehyde Addition Reactions of Allenyl/Propargyl Zirconium Complexes Derived from γ-(2-Pyridyl)propargyl Ethers: Synthesis of Multisubstituted α-Hydroxyallenes","Organometallics","2013","32","6","1636","","10.1021/om301007z","","","0.71073","MoKα","","0.0519","0.0435","","","0.1302","0.1423","","","","","","1.044","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080195","14.8584","0.0005","25.4645","0.0008","26.6088","0.001","90","","91.664","0.003","90","","10063.5","0.6","102","1","102","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H149 Gd4 Li N4 O4 S9 Si8 -","- C58 H149 Gd4 Li N4 O4 S9 Si8 -","- C232 H596 Gd16 Li4 N16 O16 S36 Si32 -","4","1","","Woodruff, Daniel N.; Tuna, Floriana; Bodensteiner, Michael; Winpenny, Richard E. P.; Layfield, Richard A.","Single-Molecule Magnetism in Tetrametallic Terbium and Dysprosium Thiolate Cages","Organometallics","2013","32","5","1224","","10.1021/om3010096","","","0.71073","MoKα","","0.143","0.0696","","","0.183","0.2021","","","","","","1.111","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080196","14.8431","0.0009","25.4673","0.0012","26.4317","0.0015","90","","91.784","0.005","90","","9986.7","1","102","1","102","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H157 Li N4 O5 S9 Si8 Tb4 -","- C58 H149 Li N4 O4 S9 Si8 Tb4 -","- C232 H596 Li4 N16 O16 S36 Si32 Tb16 -","4","1","","Woodruff, Daniel N.; Tuna, Floriana; Bodensteiner, Michael; Winpenny, Richard E. P.; Layfield, Richard A.","Single-Molecule Magnetism in Tetrametallic Terbium and Dysprosium Thiolate Cages","Organometallics","2013","32","5","1224","","10.1021/om3010096","","","0.71073","MoKα","","0.1791","0.0823","","","0.1883","0.2312","","","","","","0.993","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080197","14.8212","0.0005","25.4429","0.0007","26.2217","0.0008","90","","91.779","0.003","90","","9883.3","0.5","101","1","101","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H154 Dy4 Li N4 O5 S9 Si8 -","- C56.5 H146 Dy4 Li N4 O4 S9 Si8 -","- C226 H584 Dy16 Li4 N16 O16 S36 Si32 -","4","1","","Woodruff, Daniel N.; Tuna, Floriana; Bodensteiner, Michael; Winpenny, Richard E. P.; Layfield, Richard A.","Single-Molecule Magnetism in Tetrametallic Terbium and Dysprosium Thiolate Cages","Organometallics","2013","32","5","1224","","10.1021/om3010096","","","0.71073","MoKα","","0.1244","0.0568","","","0.1362","0.1472","","","","","","0.916","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080198","13.282","0.003","12.463","0.003","10.964","0.002","90","","118.85","0.03","90","","1589.7","0.8","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H47 B2 N2 O2 Sc -","- C31 H39 B2 N2 O2 Sc -","- C62 H78 B4 N4 O4 Sc2 -","2","0.5","","Kratsch, Jochen; Kuzdrowska, Magdalena; Schmid, Matthias; Kazeminejad, Neda; Kaub, Christoph; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2013","32","5","1230","","10.1021/om301011v","","","0.71073","MoKα","","0.102","0.0594","","","0.1153","0.1306","","","","","","0.883","","","","has coordinates","178690","2020-10-21","18:00:00",""
"4080199","13.297","0.003","12.881","0.003","10.822","0.002","90","","117","0.03","90","","1651.5","0.8","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H47 B2 La N2 O2 -","- C31 H39 B2 La N2 O2 -","- C62 H78 B4 La2 N4 O4 -","2","0.5","","Kratsch, Jochen; Kuzdrowska, Magdalena; Schmid, Matthias; Kazeminejad, Neda; Kaub, Christoph; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2013","32","5","1230","","10.1021/om301011v","","","0.71073","MoKα","","0.0298","0.0294","","","0.067","0.0681","","","","","","1.035","","","","has coordinates,has disorder","178690","2020-10-21","18:00:00",""
"4080200","13.223","0.003","12.679","0.003","10.765","0.002","90","","116.91","0.03","90","","1609.4","0.7","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H47 B2 N2 Nd O2 -","- C31 H47 B2 N2 Nd O2 -","- C62 H94 B4 N4 Nd2 O4 -","2","0.5","","Kratsch, Jochen; Kuzdrowska, Magdalena; Schmid, Matthias; Kazeminejad, Neda; Kaub, Christoph; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2013","32","5","1230","","10.1021/om301011v","","","0.71073","MoKα","","0.0339","0.0338","","","0.0713","0.0714","","","","","","1.015","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080201","13.223","0.003","12.678","0.003","10.773","0.002","90","","117.34","0.03","90","","1604.3","0.7","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H47 B2 N2 O2 Sm -","- C31 H47 B2 N2 O2 Sm -","- C62 H94 B4 N4 O4 Sm2 -","2","0.5","","Kratsch, Jochen; Kuzdrowska, Magdalena; Schmid, Matthias; Kazeminejad, Neda; Kaub, Christoph; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2013","32","5","1230","","10.1021/om301011v","","","0.71073","MoKα","","0.0223","0.0223","","","0.0523","0.0523","","","","","","1.075","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080202","13.256","0.003","12.6","0.003","10.874","0.002","90","","118.16","0.03","90","","1601.3","0.8","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H47 B2 N2 O2 Yb -","- C31 H39 B2 N2 O2 Yb -","- C62 H78 B4 N4 O4 Yb2 -","2","0.5","","Kratsch, Jochen; Kuzdrowska, Magdalena; Schmid, Matthias; Kazeminejad, Neda; Kaub, Christoph; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2013","32","5","1230","","10.1021/om301011v","","","0.71073","MoKα","","0.0235","0.0235","","","0.059","0.059","","","","","","1.052","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080203","13.25","0.003","12.6","0.003","10.877","0.002","90","","118.22","0.03","90","","1600.1","0.8","200","2","200","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C31 H47 B2 Lu N2 O2 -","- C31 H39 B2 Lu N2 O2 -","- C62 H78 B4 Lu2 N4 O4 -","2","0.5","","Kratsch, Jochen; Kuzdrowska, Magdalena; Schmid, Matthias; Kazeminejad, Neda; Kaub, Christoph; Oña-Burgos, Pascual; Guillaume, Sophie M.; Roesky, Peter W.","Chiral Rare Earth Borohydride Complexes Supported by Amidinate Ligands: Synthesis, Structure, and Catalytic Activity in the Ring-Opening Polymerization ofrac-Lactide","Organometallics","2013","32","5","1230","","10.1021/om301011v","","","0.71073","MoKα","","0.0377","0.0357","","","0.0789","0.0818","","","","","","1.083","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080204","20.021","0.003","19.555","0.002","10.4855","0.0008","90","","90","","90","","4105.2","0.8","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C36 H47 I N2 P3 Si2 Y -","- C36 H47 I N2 P3 Si2 Y -","- C144 H188 I4 N8 P12 Si8 Y4 -","4","0.5","","Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity Studies of a T-Shaped Yttrium Carbene: C‒F and C‒O Bond Activation and C═C Bond Formation Promoted by [Y(BIPM)(I)(THF)2] (BIPM = C(PPh2NSiMe3)2)","Organometallics","2013","32","5","1239","","10.1021/om301016j","","","1.5418","CuKα","","0.178","0.0961","","","0.1916","0.2595","","","","","","1.067","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080205","11.8218","0.0003","13.8371","0.0004","16.316","0.0004","92.766","0.002","99.723","0.002","107.467","0.002","2495.39","0.12","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H68 I N4 O P2 Si2 Y -","- C48 H68 I N4 O P2 Si2 Y -","- C96 H136 I2 N8 O2 P4 Si4 Y2 -","2","1","","Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity Studies of a T-Shaped Yttrium Carbene: C‒F and C‒O Bond Activation and C═C Bond Formation Promoted by [Y(BIPM)(I)(THF)2] (BIPM = C(PPh2NSiMe3)2)","Organometallics","2013","32","5","1239","","10.1021/om301016j","","","0.71073","MoKα","","0.1103","0.0741","","","0.1405","0.1569","","","","","","1.181","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080206","11.8331","0.0013","17.3545","0.0018","23.769","0.002","90","","102.276","0.002","90","","4769.5","0.8","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H63 I N3 O3 P2 Si2 Y -","- C44 H63 I N3 O3 P2 Si2 Y -","- C176 H252 I4 N12 O12 P8 Si8 Y4 -","4","1","","Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity Studies of a T-Shaped Yttrium Carbene: C‒F and C‒O Bond Activation and C═C Bond Formation Promoted by [Y(BIPM)(I)(THF)2] (BIPM = C(PPh2NSiMe3)2)","Organometallics","2013","32","5","1239","","10.1021/om301016j","","","0.71073","MoKα","","0.06","0.0357","","","0.0752","0.0834","","","","","","1.006","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080207","14.986","0.003","15.291","0.003","17.647","0.004","90.56","0.03","102.89","0.03","100.2","0.03","3874.5","1.5","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H51 N3 P2 Si2 -","- C36 H47 N3 P2 Si2 -","- C144 H188 N12 P8 Si8 -","4","2","","Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity Studies of a T-Shaped Yttrium Carbene: C‒F and C‒O Bond Activation and C═C Bond Formation Promoted by [Y(BIPM)(I)(THF)2] (BIPM = C(PPh2NSiMe3)2)","Organometallics","2013","32","5","1239","","10.1021/om301016j","","","1.5418","CuKα","","0.0662","0.0499","","","0.1282","0.1374","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080208","12.2756","0.0002","45.6639","0.0007","9.47291","0.00014","90","","99.2161","0.0015","90","","5241.51","0.14","90","2","90","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H73 I N3 O2 P2 Si2 Y -","- C51 H73 I N3 O2 P2 Si2 Y -","- C204 H292 I4 N12 O8 P8 Si8 Y4 -","4","1","","Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity Studies of a T-Shaped Yttrium Carbene: C‒F and C‒O Bond Activation and C═C Bond Formation Promoted by [Y(BIPM)(I)(THF)2] (BIPM = C(PPh2NSiMe3)2)","Organometallics","2013","32","5","1239","","10.1021/om301016j","","","1.5418","CuKα","","0.0582","0.0483","","","0.134","0.137","","","","","","1.23","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080209","14.0687","0.0006","16.9323","0.0007","22.4949","0.0009","96.996","0.003","90.722","0.004","93.541","0.004","5307.5","0.4","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C106.75 H122 I2 N4 O5 P4 Si4 Y2 -","- C98 H112 I2 N4 O5 P4 Si4 Y2 -","- C196 H224 I4 N8 O10 P8 Si8 Y4 -","2","1","","Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity Studies of a T-Shaped Yttrium Carbene: C‒F and C‒O Bond Activation and C═C Bond Formation Promoted by [Y(BIPM)(I)(THF)2] (BIPM = C(PPh2NSiMe3)2)","Organometallics","2013","32","5","1239","","10.1021/om301016j","","","1.5418","CuKα","","0.0651","0.0579","","","0.165","0.176","","","","","","1.19","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080210","12.4201","0.0003","16.6524","0.0004","22.1146","0.0003","83.0555","0.0016","82.7864","0.0015","69.759","0.002","4242.65","0.17","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C86.5 H98 I N4 O2 P4 Si4 Y -","- C83 H94 I N4 O2 P4 Si4 Y -","- C166 H188 I2 N8 O4 P8 Si8 Y2 -","2","1","","Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity Studies of a T-Shaped Yttrium Carbene: C‒F and C‒O Bond Activation and C═C Bond Formation Promoted by [Y(BIPM)(I)(THF)2] (BIPM = C(PPh2NSiMe3)2)","Organometallics","2013","32","5","1239","","10.1021/om301016j","","","1.54184","CuKα","","0.0623","0.0479","","","0.113","0.12","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080211","10.5979","0.0007","12.8692","0.0008","20.1907","0.0013","82.257","0.002","87.16","0.002","80.411","0.002","2689.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H70 N3 O P2 Si2 Y -","- C54 H70 N3 O P2 Si2 Y -","- C108 H140 N6 O2 P4 Si4 Y2 -","2","1","","Mills, David P.; Soutar, Lyndsay; Cooper, Oliver J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the Yttrium Alkyl Carbene Complex [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})2‒: From Insertions, Substitutions, and Additions to Nontypical Transformations","Organometallics","2013","32","5","1251","","10.1021/om3010178","","","0.71073","MoKα","","0.0495","0.0415","","","0.1067","0.1119","","","","","","1.033","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080212","12.725","0.007","19.531","0.011","20.748","0.011","90","","101.224","0.01","90","","5058","5","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H68 N5 O P2 Si2 Y -","- C52 H68 N5 O P2 Si2 Y -","- C208 H272 N20 O4 P8 Si8 Y4 -","4","1","","Mills, David P.; Soutar, Lyndsay; Cooper, Oliver J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the Yttrium Alkyl Carbene Complex [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})2‒: From Insertions, Substitutions, and Additions to Nontypical Transformations","Organometallics","2013","32","5","1251","","10.1021/om3010178","","","0.71073","MoKα","","0.1099","0.0708","","","0.1771","0.2011","","","","","","1.03","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080213","14.098","0.002","14.224","0.002","19.349","0.003","90.999","0.003","90.104","0.003","119.346","0.002","3381.4","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H99 N6 O P2 Si2 Y -","- C68 H99 N6 O P2 Si2 Y -","- C136 H198 N12 O2 P4 Si4 Y2 -","2","1","","Mills, David P.; Soutar, Lyndsay; Cooper, Oliver J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the Yttrium Alkyl Carbene Complex [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})2‒: From Insertions, Substitutions, and Additions to Nontypical Transformations","Organometallics","2013","32","5","1251","","10.1021/om3010178","","","0.71073","MoKα","","0.0789","0.0665","","","0.171","0.1791","","","","","","1.017","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080214","11.5702","0.0017","13.0541","0.0019","18.88","0.003","80.088","0.003","88.14","0.003","72.461","0.002","2677.9","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H71 N4 O3 P2 Si2 Y -","- C52 H71 N4 O3 P2 Si2 Y -","- C104 H142 N8 O6 P4 Si4 Y2 -","2","1","","Mills, David P.; Soutar, Lyndsay; Cooper, Oliver J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the Yttrium Alkyl Carbene Complex [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})2‒: From Insertions, Substitutions, and Additions to Nontypical Transformations","Organometallics","2013","32","5","1251","","10.1021/om3010178","","","0.71073","MoKα","","0.1401","0.0946","","","0.2388","0.2633","","","","","","1.069","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080215","11.87174","0.00019","18.9361","0.0003","22.0918","0.0004","90","","97.8907","0.0015","90","","4919.31","0.14","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C96.5 H124 N6 P4 S4 Si4 Y2 -","- C86 H112 N6 P4 S4 Si4 Y2 -","- C172 H224 N12 P8 S8 Si8 Y4 -","2","0.5","","Mills, David P.; Soutar, Lyndsay; Cooper, Oliver J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the Yttrium Alkyl Carbene Complex [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})2‒: From Insertions, Substitutions, and Additions to Nontypical Transformations","Organometallics","2013","32","5","1251","","10.1021/om3010178","","","1.5418","CuKα","","0.0456","0.0356","","","0.0928","0.0965","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080216","11.5102","0.0003","23.044","0.0005","17.9369","0.0005","90","","97.652","0.003","90","","4715.2","0.2","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H64 N3 O P2 Si2 Y -","- C47 H64 N3 O P2 Si2 Y -","- C188 H256 N12 O4 P8 Si8 Y4 -","4","1","","Mills, David P.; Soutar, Lyndsay; Cooper, Oliver J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the Yttrium Alkyl Carbene Complex [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})2‒: From Insertions, Substitutions, and Additions to Nontypical Transformations","Organometallics","2013","32","5","1251","","10.1021/om3010178","","","1.54184","CuKα","","0.0442","0.0348","","","0.082","0.0885","","","","","","1.02","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080217","20.2089","0.0003","11.4985","0.0002","23.9442","0.0004","90","","92.0323","0.0017","90","","5560.46","0.16","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H68 K N2 P2 Si2 Y -","- C59 H68 K N2 P2 Si2 Y -","- C236 H272 K4 N8 P8 Si8 Y4 -","4","1","","Mills, David P.; Soutar, Lyndsay; Cooper, Oliver J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","Reactivity of the Yttrium Alkyl Carbene Complex [Y(BIPM)(CH2C6H5)(THF)] (BIPM = {C(PPh2NSiMe3)2})2‒: From Insertions, Substitutions, and Additions to Nontypical Transformations","Organometallics","2013","32","5","1251","","10.1021/om3010178","","","1.5418","CuKα","","0.0491","0.0387","","","0.0897","0.0959","","","","","","1.006","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080218","12.185","0.002","21.789","0.004","16.478","0.003","90","","104.55","0.03","90","","4234.6","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H98 La2 O16 -","- C100 H98 La2 O16 -","- C200 H196 La4 O32 -","2","0.5","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0888","0.0461","","","0.0906","0.1085","","","","","","0.945","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080219","11.8097","0.0006","21.5927","0.0012","16.8574","0.0009","90","","103.977","0.002","90","","4171.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C100 H98 Nd2 O16 -","- C100 H98 Nd2 O16 -","- C200 H196 Nd4 O32 -","2","0.5","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0373","0.027","","","0.0615","0.0667","","","","","","0.964","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080220","13.0275","0.0002","13.0747","0.0002","14.7602","0.0002","113.058","0.0006","95.0251","0.0007","106.034","0.0007","2168.09","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H98 Nd2 O20 -","- C100 H98 Nd2 O20 -","- C100 H98 Nd2 O20 -","1","0.5","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0311","0.0258","","","0.063","0.0677","","","","","","1.009","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080221","13.4191","0.0013","13.6351","0.0013","17.706","0.003","92.596","0.002","93.621","0.002","118.519","0.002","2830.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H69 La O12 -","- C66 H69 La O12 -","- C132 H138 La2 O24 -","2","1","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0527","0.0393","","","0.0776","0.0837","","","","","","1.018","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080222","20.3827","0.0006","20.3827","0.0006","24.4901","0.001","90","","90","","120","","8811.4","0.5","100","2","100","2","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C72 H69 Nd O9 -","- C72 H69 Nd O9 -","- C432 H414 Nd6 O54 -","6","1","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0761","0.0359","","","0.0682","0.0769","","","","","","0.948","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080223","30.134","0.002","14.7826","0.0011","26.9229","0.0019","90","","92.84","0.001","90","","11978.3","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C144 H142 La2 O20 -","- C136 H126 La2 O18 -","- C544 H504 La8 O72 -","4","0.5","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0462","0.0309","","","0.0605","0.063","","","","","","0.922","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080224","14.33","0.004","19.169","0.005","22.304","0.006","90.7","0.007","105.847","0.005","97.538","0.005","5836","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C138 H135 Nd2 O21 -","- C130 H115 Nd2 O17 -","- C260 H230 Nd4 O34 -","2","1","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.092","0.0427","","","0.0721","0.0762","","","","","","0.859","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080225","14.4284","0.0006","18.495","0.0007","18.5519","0.0007","99.405","0.001","94.582","0.001","91.468","0.001","4864.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H116 La Na O15 -","- C120 H116 La Na O15 -","- C240 H232 La2 Na2 O30 -","2","1","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0941","0.0522","","","0.1001","0.1194","","","","","","0.949","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080226","14.382","0.003","18.59","0.004","18.617","0.004","100.38","0.03","93.86","0.03","91.82","0.03","4880","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H116 Na Nd O15 -","- C120 H116 Na Nd O15 -","- C240 H232 Na2 Nd2 O30 -","2","1","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0499","0.0387","","","0.0922","0.0988","","","","","","0.989","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080227","14.9186","0.0008","35.9032","0.0019","15.4383","0.0008","90","","110.87","0.001","90","","7726.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C92 H88 La Na O13 -","- C92 H88 La Na O13 -","- C368 H352 La4 Na4 O52 -","4","1","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.095","0.0474","","","0.0846","0.1036","","","","","","0.979","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080228","15.6966","0.0006","16.1619","0.0006","18.5589","0.0007","108.516","0.001","98.655","0.001","106.82","0.001","4118.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H95 La Na O15 -","- C90 H85 La Na O13 -","- C180 H170 La2 Na2 O26 -","2","1","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0632","0.0427","","","0.0867","0.0931","","","","","","0.928","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080229","13.4822","0.0006","14.6498","0.0006","20.8819","0.0009","89.874","0.001","87.102","0.001","83.459","0.001","4092.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H100 Al2 La2 O8 -","- C96 H100 Al2 La2 O8 -","- C192 H200 Al4 La4 O16 -","2","1","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0401","0.0295","","","0.0657","0.0708","","","","","","1.024","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080230","13.472","0.003","14.63","0.003","20.893","0.004","89.93","0.03","87.36","0.03","83.6","0.03","4087.9","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H100 Al2 Nd2 O8 -","- C96 H100 Al2 Nd2 O8 -","- C192 H200 Al4 Nd4 O16 -","2","1","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0509","0.0349","","","0.0802","0.0898","","","","","","0.988","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080231","15.3405","0.0007","14.8579","0.0007","17.7921","0.0008","90","","90","","90","","4055.3","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H50 Al2 O4 -","- C48 H50 Al2 O4 -","- C192 H200 Al8 O16 -","4","0.5","","Roitershtein, Dmitrii M.; Vinogradov, Alexander A.; Vinogradov, Alexei A.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Anan’ev, Ivan V.; Nifant’ev, Ilya E.; Yakovlev, Vladimir A.; Kostitsyna, Natalya N.","Di- and Triphenylacetates of Lanthanum and Neodymium. Synthesis, Structural Diversity, and Application in Diene Polymerization","Organometallics","2013","32","5","1272","","10.1021/om301020r","","","0.71073","MoKα","","0.0708","0.0439","","","0.1056","0.1244","","","","","","1.01","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080232","12.1942","0.0003","20.9616","0.0006","19.1668","0.0005","90","","116.668","0.001","90","","4378.1","0.2","150","","150","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C51.5 H47 N O4 P2 Pt -","- C51.5 H47 N O4 P2 Pt -","- C206 H188 N4 O16 P8 Pt4 -","4","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic Properties and Reactivity of Bis(triphenylphosphine)platinum(0) Olefin Complexes","Organometallics","2013","32","6","1643","","10.1021/om301021j","","x-ray","0.71073","MoKα","","0.0209","0.018","","","0.0419","0.0431","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080233","23.2464","0.0013","9.6633","0.0004","19.5892","0.001","90","","93.877","0.002","90","","4390.4","0.4","173","","173","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 N O4 P2 Pt -","- C52 H43 N O4 P2 Pt -","- C208 H172 N4 O16 P8 Pt4 -","4","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic Properties and Reactivity of Bis(triphenylphosphine)platinum(0) Olefin Complexes","Organometallics","2013","32","6","1643","","10.1021/om301021j","","x-ray","0.71073","MoKα","","0.031","0.0243","","","0.0464","0.0492","","","","","","1.156","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080234","23.2571","0.001","9.6685","0.0004","19.6859","0.0009","90","","92.352","0.002","90","","4422.9","0.3","172","","172","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 N O5 P2 Pt -","- C52 H43 N O5 P2 Pt -","- C208 H172 N4 O20 P8 Pt4 -","4","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic Properties and Reactivity of Bis(triphenylphosphine)platinum(0) Olefin Complexes","Organometallics","2013","32","6","1643","","10.1021/om301021j","","x-ray","0.71073","MoKα","","0.0224","0.0205","","","0.0509","0.0527","","","","","","1.106","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080235","10.2103","0.0009","17.8507","0.0013","22.6104","0.0019","90","","94.566","0.003","90","","4107.9","0.6","173","","173","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H42 O2 P2 Pt -","- C51 H42 O2 P2 Pt -","- C204 H168 O8 P8 Pt4 -","4","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic Properties and Reactivity of Bis(triphenylphosphine)platinum(0) Olefin Complexes","Organometallics","2013","32","6","1643","","10.1021/om301021j","","x-ray","0.71073","MoKα","","0.0256","0.0205","","","0.0485","0.0513","","","","","","0.985","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080236","13.1504","0.0019","13.584","0.002","24.442","0.004","83.12","0.007","83.981","0.007","85.467","0.006","4301.1","1.1","173","","173","","","","","","","","see text","5","P -1","-P 1","2","","","","- C52 H44 O2 P2 Pt -","- C52 H44 O2 P2 Pt -","- C208 H176 O8 P8 Pt4 -","4","2","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic Properties and Reactivity of Bis(triphenylphosphine)platinum(0) Olefin Complexes","Organometallics","2013","32","6","1643","","10.1021/om301021j","","x-ray","0.71073","MoKα","","0.0509","0.0324","","","0.065","0.0716","","","","","","1","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080237","22.9412","0.0009","9.6754","0.0003","19.4574","0.0007","90","","96.099","0.002","90","","4294.4","0.3","173","","173","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H41 N O4 P2 Pt -","- C51 H41 N O4 P2 Pt -","- C204 H164 N4 O16 P8 Pt4 -","4","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic Properties and Reactivity of Bis(triphenylphosphine)platinum(0) Olefin Complexes","Organometallics","2013","32","6","1643","","10.1021/om301021j","","x-ray","0.71073","MoKα","","0.0334","0.0196","","","0.0385","0.0437","","","","","","1.069","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080238","23.0336","0.0013","9.5895","0.0006","19.7733","0.0012","90","","93.581","0.002","90","","4359","0.5","173","","173","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H40 N2 O6 P2 Pt -","- C51 H40 N2 O6 P2 Pt -","- C204 H160 N8 O24 P8 Pt4 -","4","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic Properties and Reactivity of Bis(triphenylphosphine)platinum(0) Olefin Complexes","Organometallics","2013","32","6","1643","","10.1021/om301021j","","x-ray","0.71073","MoKα","","0.0164","0.0149","","","0.0344","0.036","","","","","","1.121","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080239","9.6547","0.0005","18.4881","0.0008","24.5659","0.001","90","","98.323","0.002","90","","4338.8","0.3","173","","173","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 O2 P2 Pt -","- C52 H44 O2 P2 Pt -","- C208 H176 O8 P8 Pt4 -","4","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic Properties and Reactivity of Bis(triphenylphosphine)platinum(0) Olefin Complexes","Organometallics","2013","32","6","1643","","10.1021/om301021j","","x-ray","0.71073","MoKα","","0.0314","0.0277","","","0.0624","0.0635","","","","","","1.259","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080240","9.3211","0.0002","10.1306","0.0001","46.5362","0.0006","90","","90.365","0.001","90","","4394.25","0.12","173","","173","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H46 O4 P2 Pt -","- C53 H46 O4 P2 Pt -","- C212 H184 O16 P8 Pt4 -","4","1","","Buchner, Magnus R.; Bechlars, Bettina; Wahl, Bernhard; Ruhland, Klaus","Influence of Electronically and Sterically Tunable Cinnamate Ligands on the Spectroscopic Properties and Reactivity of Bis(triphenylphosphine)platinum(0) Olefin Complexes","Organometallics","2013","32","6","1643","","10.1021/om301021j","","x-ray","0.71073","MoKα","","0.0795","0.0633","","","0.1098","0.1131","","","","","","1.327","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080241","17.4376","0.0016","28.884","0.002","18.6968","0.0016","90","","99.526","0.002","90","","9287.1","1.3","185","2","185","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 Cl3 Li N O4 Sc -","- C44 H66 Cl3 Li N O4 Sc -","- C352 H528 Cl24 Li8 N8 O32 Sc8 -","8","2","","Tao, Xin; Gao, Wei; Huo, Hang; Mu, Ying","AchiralCs-Symmetric Half-Sandwich Scandium(III) Complexes with Imine‒Cyclopentadienyl Ligands Catalyze Isotactic Polymerization of 1-Hexene","Organometallics","2013","32","5","1287","","10.1021/om301026e","","","0.71073","MoKα","","0.2342","0.0852","","","0.165","0.2253","","","","","","0.944","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080242","18.949","0.002","14.6979","0.0017","17.889","0.002","90","","103.303","0.002","90","","4848.6","0.9","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H27 Cl3 N Sc -","- C24.5 H27 Cl3 N Sc -","- C196 H216 Cl24 N8 Sc8 -","8","1","","Tao, Xin; Gao, Wei; Huo, Hang; Mu, Ying","AchiralCs-Symmetric Half-Sandwich Scandium(III) Complexes with Imine‒Cyclopentadienyl Ligands Catalyze Isotactic Polymerization of 1-Hexene","Organometallics","2013","32","5","1287","","10.1021/om301026e","","","0.71073","MoKα","","0.1033","0.0873","","","0.1968","0.2046","","","","","","1.143","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080243","18.7558","0.0018","17.5583","0.0017","18.5051","0.0019","90","","108.752","0.002","90","","5770.6","1","185","2","185","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H90.25 Li N O3 Sc Si3 -","- C52 H90.256 Li N O3 Sc Si3 -","- C208 H361.024 Li4 N4 O12 Sc4 Si12 -","4","1","","Tao, Xin; Gao, Wei; Huo, Hang; Mu, Ying","AchiralCs-Symmetric Half-Sandwich Scandium(III) Complexes with Imine‒Cyclopentadienyl Ligands Catalyze Isotactic Polymerization of 1-Hexene","Organometallics","2013","32","5","1287","","10.1021/om301026e","","","0.71073","MoKα","","0.1841","0.0909","","","0.2309","0.2878","","","","","","1.023","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080244","9.7","0.003","11.464","0.004","16.574","0.005","88.128","0.005","86.32","0.005","81.461","0.006","1818.4","1","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H56 N Sc Si2 -","- C36 H56 N Sc Si2 -","- C72 H112 N2 Sc2 Si4 -","2","1","","Tao, Xin; Gao, Wei; Huo, Hang; Mu, Ying","AchiralCs-Symmetric Half-Sandwich Scandium(III) Complexes with Imine‒Cyclopentadienyl Ligands Catalyze Isotactic Polymerization of 1-Hexene","Organometallics","2013","32","5","1287","","10.1021/om301026e","","","0.71073","MoKα","","0.0589","0.0469","","","0.1176","0.1272","","","","","","1.037","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080245","8.935","0.002","10.743","0.002","12.522","0.003","98.081","0.004","105.754","0.004","96.538","0.004","1130.7","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H35 K N2 Si3 -","- C13 H35 K N2 Si3 -","- C26 H70 K2 N4 Si6 -","2","1","","Yan, KaKing; Schoendorff, George; Upton, Brianna M.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Intermolecular β-Hydrogen Abstraction in Ytterbium, Calcium, and Potassium Tris(dimethylsilyl)methyl Compounds","Organometallics","2013","32","5","1300","","10.1021/om3010299","","","0.71073","MoKα","","0.0982","0.0575","","","0.1269","0.1492","","","","","","1.035","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080246","9.171","0.006","19.213","0.008","20.296","0.009","90","","98.525","0.013","90","","3537","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H58 N2 Si6 Yb -","- C20 H58 N2 Si6 Yb -","- C80 H232 N8 Si24 Yb4 -","4","1","","Yan, KaKing; Schoendorff, George; Upton, Brianna M.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Intermolecular β-Hydrogen Abstraction in Ytterbium, Calcium, and Potassium Tris(dimethylsilyl)methyl Compounds","Organometallics","2013","32","5","1300","","10.1021/om3010299","","","0.71073","MoKα","","0.0763","0.0476","","","0.1081","0.1248","","","","","","1.045","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080247","11.0485","0.0015","23.131","0.003","15.359","0.002","90","","96.616","0.002","90","","3899.1","0.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 B Ca F15 O2 Si3 -","- C33 H38 B Ca F15 O2 Si3 -","- C132 H152 B4 Ca4 F60 O8 Si12 -","4","1","","Yan, KaKing; Schoendorff, George; Upton, Brianna M.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Intermolecular β-Hydrogen Abstraction in Ytterbium, Calcium, and Potassium Tris(dimethylsilyl)methyl Compounds","Organometallics","2013","32","5","1300","","10.1021/om3010299","","","0.71073","MoKα","","0.0626","0.0418","","","0.099","0.1093","","","","","","1.013","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080248","21.7767","0.0019","14.309","0.0012","22.33","0.0019","90","","90","","90","","6958.1","1","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H33 B F15 K N4 -","- C30 H33 B F15 K N4 -","- C240 H264 B8 F120 K8 N32 -","8","1","","Yan, KaKing; Schoendorff, George; Upton, Brianna M.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Intermolecular β-Hydrogen Abstraction in Ytterbium, Calcium, and Potassium Tris(dimethylsilyl)methyl Compounds","Organometallics","2013","32","5","1300","","10.1021/om3010299","","","0.71073","MoKα","","0.0544","0.0332","","","0.0785","0.0932","","","","","","1.046","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080249","10.5289","0.0007","9.7573","0.0007","34.854","0.003","90","","92.316","0.001","90","","3577.8","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H45 B2 N2 Yb -","- C42 H45 B2 N2 Yb -","- C168 H180 B8 N8 Yb4 -","4","1","","Yan, KaKing; Schoendorff, George; Upton, Brianna M.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Intermolecular β-Hydrogen Abstraction in Ytterbium, Calcium, and Potassium Tris(dimethylsilyl)methyl Compounds","Organometallics","2013","32","5","1300","","10.1021/om3010299","","","0.71073","MoKα","","0.0472","0.0449","","","0.0855","0.0862","","","","","","1.379","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080250","10.2093","0.0008","15.3491","0.0012","24.6786","0.0019","90","","90","","90","","3867.2","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H48 B2 O Yb -","- C47 H48 B2 O Yb -","- C188 H192 B8 O4 Yb4 -","4","1","","Yan, KaKing; Schoendorff, George; Upton, Brianna M.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Intermolecular β-Hydrogen Abstraction in Ytterbium, Calcium, and Potassium Tris(dimethylsilyl)methyl Compounds","Organometallics","2013","32","5","1300","","10.1021/om3010299","","","0.71073","MoKα","","0.0279","0.024","","","0.0544","0.0559","","","","","","1.006","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080251","15.1779","0.0006","15.8732","0.0006","21.3796","0.0009","90","","104.048","0.001","90","","4996.8","0.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H24 B2 F30 O2 Yb -","- C50 H24 B2 F30 O2 Yb -","- C200 H96 B8 F120 O8 Yb4 -","4","0.5","","Yan, KaKing; Schoendorff, George; Upton, Brianna M.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Intermolecular β-Hydrogen Abstraction in Ytterbium, Calcium, and Potassium Tris(dimethylsilyl)methyl Compounds","Organometallics","2013","32","5","1300","","10.1021/om3010299","","","0.71073","MoKα","","0.0302","0.0258","","","0.0582","0.0601","","","","","","1.038","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080252","12.2697","0.0006","12.3676","0.0006","20.1568","0.001","85.435","0.001","76.578","0.001","67.164","0.001","2741.8","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H30 B2 F30 N2 Yb -","- C54 H30 B2 F30 N2 Yb -","- C108 H60 B4 F60 N4 Yb2 -","2","1","","Yan, KaKing; Schoendorff, George; Upton, Brianna M.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.","Intermolecular β-Hydrogen Abstraction in Ytterbium, Calcium, and Potassium Tris(dimethylsilyl)methyl Compounds","Organometallics","2013","32","5","1300","","10.1021/om3010299","","","0.71073","MoKα","","0.0398","0.0328","","","0.0879","0.0921","","","","","","1.048","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080253","23.1975","0.0016","17.0581","0.0009","24.398","0.002","90","","116.846","0.01","90","","8613.9","1.3","190","2","190","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C90.5 H94 La2 N6 Sn2 Yb -","- C90.5 H94 La2 N6 Sn2 Yb -","- C362 H376 La8 N24 Sn8 Yb4 -","4","1","","Zeckert, Kornelia","Pyridyl Compounds of Heavier Group 13 and 14 Elements as Ligands for Lanthanide Metals","Organometallics","2013","32","5","1387","","10.1021/om301032x","","","0.71073","MoKα","","0.0634","0.0422","","","0.0952","0.1072","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080254","21.38","0.0008","14.6367","0.0006","8.4907","0.0004","90","","90","","90","","2657.02","0.19","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H33 N3 Sn Yb -","- C28 H33 N3 Sn Yb -","- C112 H132 N12 Sn4 Yb4 -","4","0.5","","Zeckert, Kornelia","Pyridyl Compounds of Heavier Group 13 and 14 Elements as Ligands for Lanthanide Metals","Organometallics","2013","32","5","1387","","10.1021/om301032x","","","0.71073","MoKα","","0.0441","0.0243","","","0.0443","0.0463","","","","","","0.873","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080255","11.6336","0.0005","19.3358","0.0007","15.0814","0.0007","90","","90","","90","","3392.5","0.2","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H52 Ga N2 Sm -","- C36 H52 Ga N2 Sm -","- C144 H208 Ga4 N8 Sm4 -","4","0.5","","Zeckert, Kornelia","Pyridyl Compounds of Heavier Group 13 and 14 Elements as Ligands for Lanthanide Metals","Organometallics","2013","32","5","1387","","10.1021/om301032x","","","0.71073","MoKα","","0.0745","0.0381","","","0.0841","0.0986","","","","","","1.021","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080256","11.9097","0.0002","19.0579","0.0004","15.1619","0.0003","90","","90","","90","","3441.36","0.11","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H52 In N2 Sm -","- C36 H52 In N2 Sm -","- C144 H208 In4 N8 Sm4 -","4","0.5","","Zeckert, Kornelia","Pyridyl Compounds of Heavier Group 13 and 14 Elements as Ligands for Lanthanide Metals","Organometallics","2013","32","5","1387","","10.1021/om301032x","","","0.71073","MoKα","","0.0743","0.0346","","","0.058","0.0677","","","","","","1.039","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080257","10.5912","0.0005","14.0519","0.0007","14.0695","0.0005","90","","90","","90","","2093.91","0.16","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 B F4 N O -","- C19 H30 B F4 N O -","- C76 H120 B4 F16 N4 O4 -","4","1","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.058","0.0526","","","0.1495","0.1544","","","","","","1.063","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080258","16.1246","0.0013","10.6141","0.0011","34.007","0.003","90","","100.304","0.006","90","","5726.4","0.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 B F4 N2 O -","- C27 H39 B F4 N2 O -","- C216 H312 B8 F32 N16 O8 -","8","2","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.1662","0.0608","","","0.1192","0.1472","","","","","","0.988","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080259","18.9985","0.0015","6.8889","0.0003","21.2758","0.0016","90","","115.889","0.003","90","","2505.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 B F N2 O -","- C27 H36 B F N2 O -","- C108 H144 B4 F4 N8 O4 -","4","1","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.0852","0.0708","","","0.1685","0.1742","","","","","","1.151","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080260","9.9061","0.0006","13.0594","0.001","14.8115","0.0012","103.48","0.003","108.736","0.004","103.91","0.004","1658","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H52 N2 O -","- C37 H52 N2 O -","- C74 H104 N4 O2 -","2","1","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.1182","0.0554","","","0.1252","0.1445","","","","","","0.976","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080261","9.5402","0.0014","10.9327","0.0011","14.383","0.002","73.96","0.008","87.426","0.007","86.955","0.009","1439","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H88 Li4 N4 O4 -","- C62 H88 Li4 N4 O4 -","- C62 H88 Li4 N4 O4 -","1","0.5","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.0765","0.0511","","","0.1256","0.1371","","","","","","1.03","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080262","17.4358","0.0009","17.436","0.0012","32.131","0.002","89.401","0.003","80.627","0.003","65.259","0.004","8734.9","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H108 Cl4 N4 O2 Zr2 -","- C90 H108 Cl4 N4 O2 Zr2 -","- C360 H432 Cl16 N16 O8 Zr8 -","4","2","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.118","0.0725","","","0.2042","0.2247","","","","","","1.026","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080263","14.8213","0.0007","21.6499","0.0005","24.1822","0.0011","90","","98.984","0.002","90","","7664.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H92 Cl2 N8 O2 Yb2 -","- C74 H92 Cl2 N8 O2 Yb2 -","- C296 H368 Cl8 N32 O8 Yb8 -","4","1","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.0908","0.0439","","","0.1062","0.119","","","","","","1.001","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080264","15.8182","0.0005","19.2508","0.0005","19.7418","0.0006","111.657","0.0012","107.715","0.0014","101.935","0.002","4964.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H112 Cl5 Li N4 O7 Th2 -","- C74 H112 Cl5 Li N4 O7 Th2 -","- C148 H224 Cl10 Li2 N8 O14 Th4 -","2","1","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.0925","0.0792","","","0.2182","0.2297","","","","","","1.043","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080265","21.2552","0.001","10.7158","0.0005","25.9523","0.0007","90","","102.364","0.003","90","","5774","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 N4 O2 U -","- C62 H88 N4 O2 U -","- C248 H352 N16 O8 U4 -","4","0.5","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.0335","0.0254","","","0.0567","0.0586","","","","","","0.989","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080266","15.5297","0.0007","18.9498","0.0009","21.2327","0.0009","75.631","0.002","78.574","0.003","70.549","0.002","5661.7","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H84 N4 O2 Zr -","- C59 H84 N4 O2 Zr -","- C236 H336 N16 O8 Zr4 -","4","2","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.0841","0.0536","","","0.1481","0.165","","","","","","1.017","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080267","21.0006","0.0003","10.734","0.0002","25.6378","0.0005","90","","102.306","0.0006","90","","5646.5","0.17","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 N4 O2 Zr -","- C62 H88 N4 O2 Zr -","- C248 H352 N16 O8 Zr4 -","4","0.5","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.0359","0.0306","","","0.0789","0.0814","","","","","","1.022","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080268","16.0461","0.0002","21.2603","0.0005","20.518","0.0005","90","","107.973","0.0013","90","","6658.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H108 Li N4 O4 Yb -","- C70 H108 Li N4 O4 Yb -","- C280 H432 Li4 N16 O16 Yb4 -","4","1","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.0412","0.0279","","","0.0659","0.0694","","","","","","1.008","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080269","21.2874","0.0009","10.7327","0.0003","26.059","0.0011","90","","102.213","0.002","90","","5819","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 N4 O2 Th -","- C62 H88 N4 O2 Th -","- C248 H352 N16 O8 Th4 -","4","0.5","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.0461","0.0312","","","0.0594","0.0625","","","","","","0.97","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080270","13.1462","0.0006","16.4882","0.0006","23.2295","0.0011","97.148","0.002","104.141","0.002","113.277","0.002","4345","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H126 Cl Li3 N6 O5 Th -","- C89 H126 Cl Li3 N6 O5 Th -","- C178 H252 Cl2 Li6 N12 O10 Th2 -","2","1","","Dulong, Florian; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault","Synthesis ofN-Aryloxy-β-diketiminate Ligands and Coordination to Zirconium, Ytterbium, Thorium, and Uranium","Organometallics","2013","32","5","1328","","10.1021/om3010355","","","0.71073","MoKα","","0.0493","0.0355","","","0.0774","0.0813","","","","","","1.009","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080271","48.3194","0.0007","11.5899","0.0002","24.037","0.0003","90","","119.148","0.001","90","","11756.5","0.3","201","2","201","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H95 N3 O2.5 U -","- C64 H95 N3 O2.5 U -","- C512 H760 N24 O20 U8 -","8","1","","Vlaisavljevich, Bess; Diaconescu, Paula L.; Lukens, Wayne L.; Gagliardi, Laura; Cummins, Christopher C.","Investigations of the Electronic Structure of Arene-Bridged Diuranium Complexes","Organometallics","2013","32","5","1341","","10.1021/om3010367","","","0.71073","MoKα","","0.0696","0.0579","","","0.1238","0.1298","","","","","","1.161","","","","has coordinates","270822","2021-11-23","08:35:15",""
"4080272","11.0165","0.0002","12.4826","0.0003","22.6984","0.0006","79.215","0.001","78.35","","64.907","0.001","2750.35","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H84 I N3 U -","- C59 H84 I N3 U -","- C118 H168 I2 N6 U2 -","2","1","","Vlaisavljevich, Bess; Diaconescu, Paula L.; Lukens, Wayne L.; Gagliardi, Laura; Cummins, Christopher C.","Investigations of the Electronic Structure of Arene-Bridged Diuranium Complexes","Organometallics","2013","32","5","1341","","10.1021/om3010367","","","0.71073","MoKα","","0.0364","0.0332","","","0.0828","0.0865","","","","","","1.254","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080273","10.7784","0.0014","11.3375","0.0015","25.6","0.003","82.255","0.002","89.666","0.002","75.38","0.002","2998.1","0.7","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C129 H186 N8 Si2 U2 -","- C129 H186 N8 Si2 U2 -","- C129 H186 N8 Si2 U2 -","1","0.5","","Vlaisavljevich, Bess; Diaconescu, Paula L.; Lukens, Wayne L.; Gagliardi, Laura; Cummins, Christopher C.","Investigations of the Electronic Structure of Arene-Bridged Diuranium Complexes","Organometallics","2013","32","5","1341","","10.1021/om3010367","","","0.71073","MoKα","","0.0429","0.0397","","","0.096","0.0978","","","","","","1.072","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080274","22.2766","0.0014","12.6684","0.0008","22.433","0.0015","90","","116.406","0.001","90","","5670.3","0.6","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H91 Li N4 O Si U -","- C61 H91 Li N4 O Si U -","- C244 H364 Li4 N16 O4 Si4 U4 -","4","1","","Vlaisavljevich, Bess; Diaconescu, Paula L.; Lukens, Wayne L.; Gagliardi, Laura; Cummins, Christopher C.","Investigations of the Electronic Structure of Arene-Bridged Diuranium Complexes","Organometallics","2013","32","5","1341","","10.1021/om3010367","","","0.71073","MoKα","","0.0526","0.0418","","","0.0819","0.0855","","","","","","1.078","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080275","15.228","0.0006","7.309","0.0003","19.623","0.0008","90","","96.902","0.003","90","","2168.24","0.15","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 P2 Ru Y -","- C21 H31 P2 Ru Y -","- C84 H124 P8 Ru4 Y4 -","4","1","","Sobaczynski, Adam P.; Bauer, Tobias; Kempe, Rhett","Heterometallic Hydride Complexes of Rare-Earth Metals and Ruthenium through C‒H Bond Activation","Organometallics","2013","32","5","1363","","10.1021/om301039g","","","0.71069","MoKα","","0.0734","0.0701","","","0.1996","0.2013","","","","","","1.204","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080276","12.416","0.0005","12.516","0.0005","13.756","0.0005","103.685","0.003","113.818","0.003","105.65","0.003","1732.21","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 P2 Ru Y -","- C35 H41 P2 Ru Y -","- C70 H82 P4 Ru2 Y2 -","2","1","","Sobaczynski, Adam P.; Bauer, Tobias; Kempe, Rhett","Heterometallic Hydride Complexes of Rare-Earth Metals and Ruthenium through C‒H Bond Activation","Organometallics","2013","32","5","1363","","10.1021/om301039g","","","0.71069","MoKα","","0.0443","0.0275","","","0.0532","0.0555","","","","","","0.797","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080277","9.745","0.0007","25.81","0.0019","11.933","0.0009","90","","113.074","0.006","90","","2761.3","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H82 O2 P4 Ru2 Y2 -","- C50 H82 O2 P4 Ru2 Y2 -","- C100 H164 O4 P8 Ru4 Y4 -","2","0.5","","Sobaczynski, Adam P.; Bauer, Tobias; Kempe, Rhett","Heterometallic Hydride Complexes of Rare-Earth Metals and Ruthenium through C‒H Bond Activation","Organometallics","2013","32","5","1363","","10.1021/om301039g","","","0.71069","MoKα","","0.1306","0.0394","","","0.067","0.0843","","","","","","0.613","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080278","15.093","0.0007","15.523","0.0008","18.388","0.0008","97.095","0.004","112.04","0.003","110.461","0.004","3576.8","0.4","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H104 Lu2 O2 P4 Ru2 -","- C71 H104 Lu2 O2 P4 Ru2 -","- C142 H208 Lu4 O4 P8 Ru4 -","2","1","","Sobaczynski, Adam P.; Bauer, Tobias; Kempe, Rhett","Heterometallic Hydride Complexes of Rare-Earth Metals and Ruthenium through C‒H Bond Activation","Organometallics","2013","32","5","1363","","10.1021/om301039g","","","0.71069","MoKα","","0.0695","0.0372","","","0.0757","0.0803","","","","","","0.742","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080279","17.2522","0.0015","20.797","0.0018","8.4068","0.0007","90","","93.279","0.001","90","","3011.4","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H45 Ho O3 -","- C33 H45 Ho O3 -","- C132 H180 Ho4 O12 -","4","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.015","0.0142","","","0.0319","0.0322","","","","","","0.835","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080280","7.6498","0.0007","12.7111","0.0012","14.1433","0.0013","75.066","0.001","77.776","0.001","73.839","0.001","1261.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H37 Er O2 -","- C29 H37 Er O2 -","- C58 H74 Er2 O4 -","2","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0194","0.018","","","0.0439","0.0445","","","","","","1.035","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080281","9.591","0.0011","17.505","0.002","20.379","0.002","90","","90","","90","","3421.4","0.6","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C33 H53 Fe Ho N2 O Si2 -","- C33 H53 Fe Ho N2 O Si2 -","- C132 H212 Fe4 Ho4 N8 O4 Si8 -","4","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0405","0.037","","","0.0781","0.0793","","","","","","1.086","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080282","11.1129","0.0016","11.6364","0.0017","16.175","0.002","101.74","0.002","91.948","0.002","118.2","0.001","1784.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Fe Ho I N2 O2 Si2 -","- C30 H54 Fe Ho I N2 O2 Si2 -","- C60 H108 Fe2 Ho2 I2 N4 O4 Si4 -","2","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0642","0.0487","","","0.108","0.1186","","","","","","1.066","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080283","11.135","0.0015","11.551","0.0016","16.112","0.003","100.706","0.002","93.321","0.002","118.039","0.001","1771.9","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Er Fe I N2 O2 Si2 -","- C30 H54 Er Fe I N2 O2 Si2 -","- C60 H108 Er2 Fe2 I2 N4 O4 Si4 -","2","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0547","0.0402","","","0.0854","0.0949","","","","","","1.146","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080284","9.555","0.003","17.625","0.006","20.422","0.006","90","","90","","90","","3439.2","1.9","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C33 H53 Fe Gd N2 O Si2 -","- C33 H53 Fe Gd N2 O Si2 -","- C132 H212 Fe4 Gd4 N8 O4 Si8 -","4","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0539","0.0481","","","0.111","0.1133","","","","","","1.096","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080285","17.222","0.007","20.689","0.008","8.479","0.003","90","","92.871","0.004","90","","3017","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H45 Gd O3 -","- C33 H45 Gd O3 -","- C132 H180 Gd4 O12 -","4","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.017","0.0157","","","0.0342","0.0347","","","","","","0.972","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080286","17.261","0.008","20.805","0.009","8.402","0.004","90","","93.365","0.005","90","","3012","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H45 Er O3 -","- C33 H45 Er O3 -","- C132 H180 Er4 O12 -","4","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0224","0.0191","","","0.036","0.037","","","","","","0.909","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080287","14.855","0.006","13.701","0.006","15.412","0.007","90","","91.046","0.005","90","","3136","2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H92 Fe2 I2 N4 Nd2 O2 Si4 -","- C52 H92 Fe2 I2 N4 Nd2 O2 Si4 -","- C104 H184 Fe4 I4 N8 Nd4 O4 Si8 -","2","0.5","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0426","0.0282","","","0.0551","0.0597","","","","","","1.021","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080288","11.203","0.005","11.628","0.005","16.17","0.007","101.299","0.005","92.174","0.005","118.392","0.003","1796","1.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H54 Fe Gd I N2 O2 Si2 -","- C30 H54 Fe Gd I N2 O2 Si2 -","- C60 H108 Fe2 Gd2 I2 N4 O4 Si4 -","2","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0586","0.0439","","","0.0888","0.0984","","","","","","1.105","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080289","9.599","0.003","17.491","0.005","20.369","0.006","90","","90","","90","","3419.9","1.8","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C33 H53 Er Fe N2 O Si2 -","- C33 H53 Er Fe N2 O Si2 -","- C132 H212 Er4 Fe4 N8 O4 Si8 -","4","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0451","0.0436","","","0.0997","0.1003","","","","","","1.296","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080290","9.546","0.005","17.747","0.009","20.479","0.01","90","","90","","90","","3469","3","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C33 H53 Fe N2 Nd O Si2 -","- C33 H53 Fe N2 Nd O Si2 -","- C132 H212 Fe4 N8 Nd4 O4 Si8 -","4","1","","Huang, Wenliang; Upton, Brianna M.; Khan, Saeed I.; Diaconescu, Paula L.","Synthesis and Characterization of Paramagnetic Lanthanide Benzyl Complexes","Organometallics","2013","32","5","1379","","10.1021/om3010433","","","0.71073","MoKα","","0.0223","0.0202","","","0.0425","0.0434","","","","","","1.024","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080291","8.5397","0.0017","22.649","0.004","9.756","0.002","90","","100.18","0.03","90","","1857.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","complex_7","","","- C37 H65 Si2 U -","- C37 H65 Si2 U -","- C74 H130 Si4 U2 -","2","0.5","","Tsoureas, Nikolaos; Summerscales, Owen T.; Cloke, F. Geoffrey N.; Roe, S. Mark","Steric Effects in the Reductive Coupling of CO by Mixed-Sandwich Uranium(III) Complexes","Organometallics","2013","32","5","1353","","10.1021/om301045k","","","0.71073","MoKα","","0.0497","0.0427","","","0.0989","0.1026","","","","","","1.22","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080292","11.9814","0.0002","15.207","0.0003","21.7406","0.0005","90","","90.008","0.001","90","","3961.16","0.14","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","complex_8","","","- C38 H67 Si2 U -","- C38 H67 Si2 U -","- C152 H268 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Summerscales, Owen T.; Cloke, F. Geoffrey N.; Roe, S. Mark","Steric Effects in the Reductive Coupling of CO by Mixed-Sandwich Uranium(III) Complexes","Organometallics","2013","32","5","1353","","10.1021/om301045k","","","0.71073","MoKα","","0.0904","0.0454","","","0.0696","0.078","","","","","","1.022","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080293","26.268","0.005","14.737","0.003","24.491","0.005","90","","119.59","0.03","90","","8244","4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","complex_9","","","- C38 H68 Si3 U -","- C38 H69 Si3 U -","- C304 H552 Si24 U8 -","8","1","","Tsoureas, Nikolaos; Summerscales, Owen T.; Cloke, F. Geoffrey N.; Roe, S. Mark","Steric Effects in the Reductive Coupling of CO by Mixed-Sandwich Uranium(III) Complexes","Organometallics","2013","32","5","1353","","10.1021/om301045k","","","0.71073","MoKα","","0.117","0.0731","","","0.174","0.2007","","","","","","1.069","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080294","19.1449","0.0014","19.1449","0.0014","11.9066","0.0009","90","","90","","120","","3779.4","0.5","173","2","173","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","complex_10b","","","- C24 H39 Si2 U -","- C24 H39 Si2 U -","- C144 H234 Si12 U6 -","6","1","","Tsoureas, Nikolaos; Summerscales, Owen T.; Cloke, F. Geoffrey N.; Roe, S. Mark","Steric Effects in the Reductive Coupling of CO by Mixed-Sandwich Uranium(III) Complexes","Organometallics","2013","32","5","1353","","10.1021/om301045k","","","0.71073","MoKα","","0.102","0.0693","","","0.1285","0.1397","","","","","","1.106","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080295","11.197","0.002","14.297","0.003","15.97","0.003","66.38","0.03","70.6","0.03","85.91","0.03","2203.7","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","complex_12","","","- C86 H151.3 O2 Si4 U2 -","- C86 H151.304 O2 Si4 U2 -","- C86 H151.304 O2 Si4 U2 -","1","0.5","","Tsoureas, Nikolaos; Summerscales, Owen T.; Cloke, F. Geoffrey N.; Roe, S. Mark","Steric Effects in the Reductive Coupling of CO by Mixed-Sandwich Uranium(III) Complexes","Organometallics","2013","32","5","1353","","10.1021/om301045k","","","0.71073","MoKα","","0.0574","0.0404","","","0.0783","0.0852","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080296","18.694","0.004","26.788","0.005","12.122","0.002","90","","93.03","0.03","90","","6062","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","complex_14","","","- C54 H90 O2 Si6 U2 -","- C54 H90 O2 Si6 U2 -","- C216 H360 O8 Si24 U8 -","4","0.5","","Tsoureas, Nikolaos; Summerscales, Owen T.; Cloke, F. Geoffrey N.; Roe, S. Mark","Steric Effects in the Reductive Coupling of CO by Mixed-Sandwich Uranium(III) Complexes","Organometallics","2013","32","5","1353","","10.1021/om301045k","","","0.71073","MoKα","","0.0666","0.0384","","","0.0719","0.08","","","","","","1.026","","","","has coordinates","178691","2020-10-21","18:00:00",""
"4080297","12.067","0.002","13.795","0.003","17.212","0.003","90","","100.83","0.03","90","","2814.2","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","complex_15","","","- C26 H33 O2 Si2 U -","- C26 H33 O2 Si2 U -","- C104 H132 O8 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Summerscales, Owen T.; Cloke, F. Geoffrey N.; Roe, S. Mark","Steric Effects in the Reductive Coupling of CO by Mixed-Sandwich Uranium(III) Complexes","Organometallics","2013","32","5","1353","","10.1021/om301045k","","","0.71073","MoKα","","0.0827","0.048","","","0.1027","0.1194","","","","","","1.043","","","","has coordinates,has disorder","178691","2020-10-21","18:00:00",""
"4080298","11.283","0.002","14.597","0.003","16.373","0.003","84.14","0.03","77.9","0.03","80.8","0.03","2596.2","0.9","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[Sm(DippForm)2Cl(THF)]","","","- C54 H78 Cl N4 O Sm -","- C54 H78 Cl N4 O Sm -","- C108 H156 Cl2 N8 O2 Sm2 -","2","1","","Cole, Marcus L.; Deacon, Glen B.; Junk, Peter C.; Wang, Jun","Bulky Formamidinate-Supported Lanthanoid Halides and Alkyls, Including a Rare Terminal La‒Me Species","Organometallics","2013","32","5","1370","","10.1021/om301048b","","","0.71073","MoKα","","0.1335","0.0659","","","0.0825","0.0971","","","","","","0.965","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080299","11.4129","0.0002","14.5854","0.0003","16.3356","0.0003","83.981","0.001","77.876","0.001","80.518","0.001","2615.31","0.09","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[Sm(DippForm)2Br(THF)]","","","- C54 H78 Br N4 O Sm -","- C54 H78 Br N4 O Sm -","- C108 H156 Br2 N8 O2 Sm2 -","2","1","","Cole, Marcus L.; Deacon, Glen B.; Junk, Peter C.; Wang, Jun","Bulky Formamidinate-Supported Lanthanoid Halides and Alkyls, Including a Rare Terminal La‒Me Species","Organometallics","2013","32","5","1370","","10.1021/om301048b","","","0.71073","MoKα","","0.0766","0.0458","","","0.0958","0.1092","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080300","11.694","0.0002","14.5418","0.0002","16.2892","0.0003","83.413","0.001","77.483","0.001","79.73","0.001","2652.49","0.08","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[Sm(DippForm)2I(THF)]","","","- C54 H78 I N4 O Sm -","- C54 H78 I N4 O Sm -","- C108 H156 I2 N8 O2 Sm2 -","2","1","","Cole, Marcus L.; Deacon, Glen B.; Junk, Peter C.; Wang, Jun","Bulky Formamidinate-Supported Lanthanoid Halides and Alkyls, Including a Rare Terminal La‒Me Species","Organometallics","2013","32","5","1370","","10.1021/om301048b","","","0.71073","MoKα","","0.028","0.0225","","","0.0466","0.0487","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080301","11.238","0.002","14.685","0.003","16.382","0.003","83.97","0.03","77.94","0.03","80.91","0.03","2603.4","0.9","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[Sm(DippForm)2Me(THF)]","","","- C55 H81 Cl0 N4 O Sm -","- C55 H81 N4 O Sm -","- C110 H162 N8 O2 Sm2 -","2","1","","Cole, Marcus L.; Deacon, Glen B.; Junk, Peter C.; Wang, Jun","Bulky Formamidinate-Supported Lanthanoid Halides and Alkyls, Including a Rare Terminal La‒Me Species","Organometallics","2013","32","5","1370","","10.1021/om301048b","","","0.71073","MoKα","","0.0666","0.0442","","","0.0839","0.0904","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080302","12.858","0.003","13.488","0.003","18.772","0.004","108.51","0.03","93.48","0.03","95.08","0.03","3061.4","1.3","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[Sm(DippForm)2(CH2SiMe3)(THF)]","","","- C65 H97 N4 O Si Sm -","- C65 H97 N4 O Si Sm -","- C130 H194 N8 O2 Si2 Sm2 -","2","1","","Cole, Marcus L.; Deacon, Glen B.; Junk, Peter C.; Wang, Jun","Bulky Formamidinate-Supported Lanthanoid Halides and Alkyls, Including a Rare Terminal La‒Me Species","Organometallics","2013","32","5","1370","","10.1021/om301048b","","","0.71073","MoKα","","0.0806","0.0508","","","0.1078","0.1191","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080303","11.2278","0.0002","14.776","0.0003","16.4311","0.0003","83.683","0.001","77.954","0.001","80.98","0.001","2624.51","0.09","123","1","123","1","","","","","","","","5","P -1","-P 1","2","[La(DippForm)2Me(THF)]","","","- C55 H81 La N4 O -","- C55 H81 La N4 O -","- C110 H162 La2 N8 O2 -","2","1","","Cole, Marcus L.; Deacon, Glen B.; Junk, Peter C.; Wang, Jun","Bulky Formamidinate-Supported Lanthanoid Halides and Alkyls, Including a Rare Terminal La‒Me Species","Organometallics","2013","32","5","1370","","10.1021/om301048b","","","0.71073","MoKα","","0.0582","0.0408","","","0.072","0.0764","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080304","13.033","0.003","37.741","0.008","16.757","0.003","90","","96.42","0.03","90","","8191","3","123","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[La(DippForm)3]","","","- C94 H113 D12 La N6 -","- C81 H111 La N6 -","- C324 H444 La4 N24 -","4","1","","Cole, Marcus L.; Deacon, Glen B.; Junk, Peter C.; Wang, Jun","Bulky Formamidinate-Supported Lanthanoid Halides and Alkyls, Including a Rare Terminal La‒Me Species","Organometallics","2013","32","5","1370","","10.1021/om301048b","","","0.71073","Synchrotron","","0.073","0.0464","","","0.1058","0.113","","","","","","1.019","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080305","19.5632","0.0003","19.1357","0.0003","23.8446","0.0004","90","","90","","90","","8926.4","0.2","123","1","123","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","[Sm(DippForm)Br2(THF)3]","","","- C44 H67 Br2 N2 O3 Sm -","- C44 H67 Br2 N2 O3 Sm -","- C352 H536 Br16 N16 O24 Sm8 -","8","1","","Cole, Marcus L.; Deacon, Glen B.; Junk, Peter C.; Wang, Jun","Bulky Formamidinate-Supported Lanthanoid Halides and Alkyls, Including a Rare Terminal La‒Me Species","Organometallics","2013","32","5","1370","","10.1021/om301048b","","","0.71073","MoKα","","0.0724","0.0379","","","0.0822","0.0936","","","","","","0.978","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080306","12.2755","0.0003","14.0703","0.0003","17.8816","0.0005","78.315","0.001","69.943","0.001","67.892","0.001","2678.3","0.12","123","1","123","1","","","","","","","","5","P -1","-P 1","2","[Sm(DippForm)2(OCH=CH2)(THF)]","","","- C56 H81 N4 O2 Sm -","- C56 H81 N4 O2 Sm -","- C112 H162 N8 O4 Sm2 -","2","1","","Cole, Marcus L.; Deacon, Glen B.; Junk, Peter C.; Wang, Jun","Bulky Formamidinate-Supported Lanthanoid Halides and Alkyls, Including a Rare Terminal La‒Me Species","Organometallics","2013","32","5","1370","","10.1021/om301048b","","","0.71073","MoKα","","0.0432","0.0367","","","0.078","0.0825","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080307","14.5587","0.0007","18.1919","0.0008","34.3519","0.0013","90","","90","","90","","9098.1","0.7","170","2","170","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H64 Cd F4 O9 Zr2 -","- C33 H64 Cd F4 O9 Zr2 -","- C264 H512 Cd8 F32 O72 Zr16 -","8","1","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.0975","0.0357","","","0.075","0.0865","","","","","","0.735","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080308","22.463","0.004","15.761","0.002","12.5635","0.0015","90","","90","","90","","4448","1.1","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H63 Cd F3 O9 Zr2 -","- C29 H63 Cd F3 O9 Zr2 -","- C116 H252 Cd4 F12 O36 Zr8 -","4","0.5","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.1685","0.0477","","","0.1101","0.1407","","","","","","0.71","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080309","9.8945","0.0008","24.896","0.002","17.3038","0.0015","90","","96.135","0.007","90","","4238.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H63 Cd N O12 Zr2 -","- C27 H63 Cd N O12 Zr2 -","- C108 H252 Cd4 N4 O48 Zr8 -","4","1","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.0973","0.0436","","","0.1139","0.1348","","","","","","0.81","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080310","9.6602","0.0002","24.5946","0.0006","26.7211","0.0006","76.331","0.002","89.826","0.002","87.142","0.002","6160.9","0.2","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H66 Cd O11 Zr2 -","- C29 H66 Cd O11 Zr2 -","- C174 H396 Cd6 O66 Zr12 -","6","3","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.0574","0.0426","","","0.1112","0.1217","","","","","","1.023","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080311","9.5647","0.0004","12.106","0.0005","20.6284","0.0008","78.046","0.003","76.96","0.003","68.863","0.003","2149.53","0.16","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H68 Cd Cl N O13 Zr2 -","- C30 H68 Cd Cl N O13 Zr2 -","- C60 H136 Cd2 Cl2 N2 O26 Zr4 -","2","1","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.0378","0.0352","","","0.0932","0.0961","","","","","","1.045","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080312","12.4431","0.0013","19.527","0.0017","21.303","0.002","90","","125.021","0.007","90","","4238.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H126 Cd2 Cl2 O26 Zr4 -","- C54 H126 Cd2 Cl2 O26 Zr4 -","- C108 H252 Cd4 Cl4 O52 Zr8 -","2","0.5","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.0947","0.0462","","","0.1104","0.1295","","","","","","0.874","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080313","20.2917","0.0004","20.1932","0.0004","21.6979","0.0006","90","","90","","90","","8890.8","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H112 Cd2 F12 O24 Zr4 -","- C56 H112 Cd2 F12 O24 Zr4 -","- C224 H448 Cd8 F48 O96 Zr16 -","4","0.5","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.1154","0.0528","","","0.1369","0.1722","","","","","","0.971","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080314","11.121","0.003","11.746","0.003","19.154","0.005","73.035","0.019","77.5","0.2","71.019","0.017","2242.5","1.6","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H112 Cd2 F20 O24 Zr4 -","- C60 H112 Cd2 F20 O24 Zr4 -","- C60 H112 Cd2 F20 O24 Zr4 -","1","0.5","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.2412","0.1053","","","0.2034","0.2592","","","","","","0.936","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080315","12.9291","0.0003","18.7332","0.0004","20.9041","0.0005","90","","128.165","0.002","90","","3980.74","0.19","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H126 Cd2 N2 O20 Zr4 -","- C56 H126 Cd2 N2 O20 Zr4 -","- C112 H252 Cd4 N4 O40 Zr8 -","2","0.5","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.0909","0.09","","","0.2296","0.2299","","","","","","1.225","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080316","11.5307","0.0015","20.538","0.002","20.228","0.003","90","","112.186","0.011","90","","4435.7","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H126 Cd2 F6 O24 S2 Zr4 -","- C56 H126 Cd2 F6 O24 S2 Zr4 -","- C112 H252 Cd4 F12 O48 S4 Zr8 -","2","0.5","","Hegemann, Corinna; Tyrra, Wieland; Neudörfl, Jörg-Martin; Mathur, Sanjay","Synthetic and Structural Investigations on the Reactivity of the Cd‒I Bond in [ICd{Zr2(OPri)9}] to Construct New Mixed-Metal Alkoxides","Organometallics","2013","32","6","1654","","10.1021/om301053b","","","0.71073","MoKα","","0.1504","0.0354","","","0.0614","0.0773","","","","","","0.65","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080317","15.101","0.0004","15.3382","0.0005","36.8413","0.0006","85.198","0.002","78.323","0.002","60.699","0.003","7286.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C70.5 H111.75 N5.25 O4 U -","- C70.5 H111.75 N5.25 O4 U -","- C282 H447 N21 O16 U4 -","4","2","","Mora, Elsa; Maria, Leonor; Biswas, Biplab; Camp, Clément; Santos, Isabel C.; Pécaut, Jacques; Cruz, Adelaide; Carretas, José M.; Marçalo, Joaquim; Mazzanti, Marinella","Diamine Bis(phenolate) as Supporting Ligands in Organoactinide(IV) Chemistry. Synthesis, Structural Characterization, and Reactivity of Stable Dialkyl Derivatives","Organometallics","2013","32","5","1409","","10.1021/om3010806","","","0.71073","MoKα","","0.1062","0.0635","","","0.1459","0.1543","","","","","","0.908","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080318","18.2767","0.0003","24.4463","0.0004","16.6782","0.0003","90","","99.62","0.001","90","","7347","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H116 N4 O5 U -","- C72 H116 N4 O5 U -","- C288 H464 N16 O20 U4 -","4","0.5","","Mora, Elsa; Maria, Leonor; Biswas, Biplab; Camp, Clément; Santos, Isabel C.; Pécaut, Jacques; Cruz, Adelaide; Carretas, José M.; Marçalo, Joaquim; Mazzanti, Marinella","Diamine Bis(phenolate) as Supporting Ligands in Organoactinide(IV) Chemistry. Synthesis, Structural Characterization, and Reactivity of Stable Dialkyl Derivatives","Organometallics","2013","32","5","1409","","10.1021/om3010806","","","0.71069","MoKα","","0.0357","0.0309","","","0.0821","0.0838","","","","","","1.124","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080319","10.1592","0.0009","31.13","0.003","18.5587","0.0017","90","","91.005","0.003","90","","5868.4","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H78 I2 N4 O2 U -","- C58 H78 I2 N4 O2 U -","- C232 H312 I8 N16 O8 U4 -","4","1","","Mora, Elsa; Maria, Leonor; Biswas, Biplab; Camp, Clément; Santos, Isabel C.; Pécaut, Jacques; Cruz, Adelaide; Carretas, José M.; Marçalo, Joaquim; Mazzanti, Marinella","Diamine Bis(phenolate) as Supporting Ligands in Organoactinide(IV) Chemistry. Synthesis, Structural Characterization, and Reactivity of Stable Dialkyl Derivatives","Organometallics","2013","32","5","1409","","10.1021/om3010806","","","0.71073","MoKα","","0.1411","0.0719","","","0.1413","0.1571","","","","","","1.06","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080320","8.52423","0.00014","8.52423","0.00014","38.5227","0.0012","90","","90","","90","","2799.16","0.11","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C24 H33 I2 N3 O2 U -","- C24 H33 I2 N3 O2 U -","- C96 H132 I8 N12 O8 U4 -","4","0.5","","Mora, Elsa; Maria, Leonor; Biswas, Biplab; Camp, Clément; Santos, Isabel C.; Pécaut, Jacques; Cruz, Adelaide; Carretas, José M.; Marçalo, Joaquim; Mazzanti, Marinella","Diamine Bis(phenolate) as Supporting Ligands in Organoactinide(IV) Chemistry. Synthesis, Structural Characterization, and Reactivity of Stable Dialkyl Derivatives","Organometallics","2013","32","5","1409","","10.1021/om3010806","","","0.71073","MoKα","","0.0693","0.0439","","","0.0806","0.0845","","","","","","1.056","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080321","34.0855","0.0008","16.1899","0.0003","18.798","0.0004","90","","105.919","0.002","90","","9975.7","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H67 Cl2 N4 O2 U -","- C51 H67 Cl2 N4 O2 U -","- C408 H536 Cl16 N32 O16 U8 -","8","1","","Mora, Elsa; Maria, Leonor; Biswas, Biplab; Camp, Clément; Santos, Isabel C.; Pécaut, Jacques; Cruz, Adelaide; Carretas, José M.; Marçalo, Joaquim; Mazzanti, Marinella","Diamine Bis(phenolate) as Supporting Ligands in Organoactinide(IV) Chemistry. Synthesis, Structural Characterization, and Reactivity of Stable Dialkyl Derivatives","Organometallics","2013","32","5","1409","","10.1021/om3010806","","","0.71073","MoKα","","0.0588","0.0363","","","0.0845","0.09","","","","","","1.042","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080322","18.2062","0.0004","24.5461","0.0004","16.5539","0.0003","90","","98.998","0.001","90","","7306.8","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H122 N4 O4 Th -","- C74 H122 N4 O4 Th -","- C296 H488 N16 O16 Th4 -","4","0.5","","Mora, Elsa; Maria, Leonor; Biswas, Biplab; Camp, Clément; Santos, Isabel C.; Pécaut, Jacques; Cruz, Adelaide; Carretas, José M.; Marçalo, Joaquim; Mazzanti, Marinella","Diamine Bis(phenolate) as Supporting Ligands in Organoactinide(IV) Chemistry. Synthesis, Structural Characterization, and Reactivity of Stable Dialkyl Derivatives","Organometallics","2013","32","5","1409","","10.1021/om3010806","","","0.71073","MoKα","","0.0316","0.0247","","","0.0524","0.0537","","","","","","1.052","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080323","41.4321","0.0013","41.4321","0.0013","19.3575","0.0007","90","","90","","120","","28777.5","1.6","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C109 H148 Cl4 N8 O4 Th2 -","- C109 H148 Cl4 N8 O4 Th2 -","- C981 H1332 Cl36 N72 O36 Th18 -","9","0.5","","Mora, Elsa; Maria, Leonor; Biswas, Biplab; Camp, Clément; Santos, Isabel C.; Pécaut, Jacques; Cruz, Adelaide; Carretas, José M.; Marçalo, Joaquim; Mazzanti, Marinella","Diamine Bis(phenolate) as Supporting Ligands in Organoactinide(IV) Chemistry. Synthesis, Structural Characterization, and Reactivity of Stable Dialkyl Derivatives","Organometallics","2013","32","5","1409","","10.1021/om3010806","","","0.71073","MoKα","","0.0485","0.0364","","","0.0767","0.0792","","","","","","1.214","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080324","20.0165","0.0004","10.3489","0.0002","21.9123","0.0005","90","","92.111","0.001","90","","4536.03","0.16","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H76 N2 O2 Si2 Th -","- C42 H76 N2 O2 Si2 Th -","- C168 H304 N8 O8 Si8 Th4 -","4","0.5","","Mora, Elsa; Maria, Leonor; Biswas, Biplab; Camp, Clément; Santos, Isabel C.; Pécaut, Jacques; Cruz, Adelaide; Carretas, José M.; Marçalo, Joaquim; Mazzanti, Marinella","Diamine Bis(phenolate) as Supporting Ligands in Organoactinide(IV) Chemistry. Synthesis, Structural Characterization, and Reactivity of Stable Dialkyl Derivatives","Organometallics","2013","32","5","1409","","10.1021/om3010806","","","0.71073","MoKα","","0.0306","0.0252","","","0.0489","0.0501","","","","","","1.013","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080325","18.1779","0.0003","18.2607","0.0003","20.3703","0.0004","109.667","0.001","97.926","0.002","108.813","0.002","5792.2","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C111 H173 Cl N4 O10 Si3 Th2 -","- C111 H173 Cl N4 O10 Si3 Th2 -","- C222 H346 Cl2 N8 O20 Si6 Th4 -","2","1","","Mora, Elsa; Maria, Leonor; Biswas, Biplab; Camp, Clément; Santos, Isabel C.; Pécaut, Jacques; Cruz, Adelaide; Carretas, José M.; Marçalo, Joaquim; Mazzanti, Marinella","Diamine Bis(phenolate) as Supporting Ligands in Organoactinide(IV) Chemistry. Synthesis, Structural Characterization, and Reactivity of Stable Dialkyl Derivatives","Organometallics","2013","32","5","1409","","10.1021/om3010806","","","0.71073","MoKα","","0.0712","0.0414","","","0.0964","0.1056","","","","","","1.037","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080326","13.1023","0.0004","11.437","0.0004","13.0783","0.0004","90","","96.882","0.002","90","","1945.68","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","","Sun, Wen-Hua; Xing, Qifeng; Yu, Jiangang; Novikova, Elena; Zhao, Weizhen; Tang, Xiubo; Liang, Tongling; Redshaw, Carl","Probing the Characteristics of Mono- or Bimetallic (Iron or Cobalt) Complexes Bearing 2,4-Bis(6-iminopyridin-2-yl)-3H-benzazepines: Synthesis, Characterization, and Ethylene Reactivity","Organometallics","2013","32","8","2309","","10.1021/om301086p","","","0.71073","MoKα","","","0.0378","","","0.091","0.0969","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080327","15.531","0.003","12.245","0.002","22.444","0.005","90","","95.64","0.03","90","","4247.7","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H53 N5 O0 -","- C48 H53 N5 -","- C192 H212 N20 -","4","1","","Sun, Wen-Hua; Xing, Qifeng; Yu, Jiangang; Novikova, Elena; Zhao, Weizhen; Tang, Xiubo; Liang, Tongling; Redshaw, Carl","Probing the Characteristics of Mono- or Bimetallic (Iron or Cobalt) Complexes Bearing 2,4-Bis(6-iminopyridin-2-yl)-3H-benzazepines: Synthesis, Characterization, and Ethylene Reactivity","Organometallics","2013","32","8","2309","","10.1021/om301086p","","","0.71073","MoKα","","","0.0683","","","0.1799","0.2109","","","","","","0.926","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080328","15.451","0.003","15.729","0.003","20.72","0.004","72.61","0.03","82.62","0.03","76.73","0.03","4667.4","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H37 Cl2 Co N5 -","- C40 H37 Cl2 Co N5 -","- C160 H148 Cl8 Co4 N20 -","4","2","","Sun, Wen-Hua; Xing, Qifeng; Yu, Jiangang; Novikova, Elena; Zhao, Weizhen; Tang, Xiubo; Liang, Tongling; Redshaw, Carl","Probing the Characteristics of Mono- or Bimetallic (Iron or Cobalt) Complexes Bearing 2,4-Bis(6-iminopyridin-2-yl)-3H-benzazepines: Synthesis, Characterization, and Ethylene Reactivity","Organometallics","2013","32","8","2309","","10.1021/om301086p","","","0.71073","MoKα","","","0.1032","","","0.3069","0.3357","","","","","","1.011","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080329","10.1923","0.0008","16.5294","0.0012","26.1084","0.0019","90","","90","","90","","4398.6","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H40 Cl11 Ir N O P -","- C39 H37 Cl11 Ir N O P -","- C156 H148 Cl44 Ir4 N4 O4 P4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0499","0.0467","","","0.1147","0.1165","","","","","","1.071","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080330","10.3802","0.0006","16.5419","0.0009","14.3722","0.0008","90","","98.551","0.001","90","","2440.4","0.2","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C54 H45 Cl F6 Ir N O P3 Sb -","- C54 H45 Cl F6 Ir N O P3 Sb -","- C108 H90 Cl2 F12 Ir2 N2 O2 P6 Sb2 -","2","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0244","0.0232","","","0.0515","0.0519","","","","","","1.021","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080331","11.7636","0.0009","20.7067","0.0016","22.6749","0.0017","90","","90","","90","","5523.3","0.7","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C58 H57 Cl F6 Ir N O3 P3 Sb -","- C58 H50 Cl F6 Ir N O3 P3 Sb -","- C232 H200 Cl4 F24 Ir4 N4 O12 P12 Sb4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0627","0.048","","","0.1004","0.1066","","","","","","1.007","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080332","10.3697","0.0011","16.4257","0.0017","14.5792","0.0015","90","","98.467","0.002","90","","2456.2","0.4","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C55 H49 Cl F6 Ir N O P3 Sb -","- C55 H49 Cl F6 Ir N O P3 Sb -","- C110 H98 Cl2 F12 Ir2 N2 O2 P6 Sb2 -","2","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0286","0.027","","","0.0555","0.0561","","","","","","1.021","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080333","23.953","0.001","13.0385","0.0006","17.5487","0.0008","90","","105.657","0.001","90","","5277.3","0.4","100","2","100","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C55 H61 Cl F6 Ir N O2 P3 Sb -","- C55 H61 Cl F6 Ir N O2 P3 Sb -","- C220 H244 Cl4 F24 Ir4 N4 O8 P12 Sb4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0659","0.0592","","","0.1432","0.1486","","","","","","1.063","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080334","21.2265","0.001","22.1966","0.0012","12.5639","0.0006","90","","90","","90","","5919.6","0.5","100","2","100","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C57 H33 Cl F26 Ir N O2 P3 Sb -","- C57 H27 Cl F26 Ir N O2 P3 Sb -","- C228 H108 Cl4 F104 Ir4 N4 O8 P12 Sb4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0511","0.0441","","","0.0829","0.0852","","","","","","1.1","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080335","14.0311","0.0008","14.9436","0.0009","27.7435","0.0016","90","","90","","90","","5817.1","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C58 H36 F26 Ir N O2 P3 Sb -","- C58 H36 F26 Ir N O2 P3 Sb -","- C232 H144 F104 Ir4 N4 O8 P12 Sb4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.0708","0.0554","","","0.0956","0.1003","","","","","","1.075","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080336","11.1488","0.0007","21.9003","0.0014","22.0481","0.0015","90","","90","","90","","5383.3","0.6","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50 H28 F26 Ir N O P3 Sb -","- C50 H19 F26 Ir N O P3 Sb -","- C200 H76 F104 Ir4 N4 O4 P12 Sb4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ramírez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Diastereoselective Synthesis of Chiral Octahedral Iridium(III) Phosphano‒Oxazoline Complexes","Organometallics","2013","32","6","1595","","10.1021/om301088x","","","0.71073","MoKα","","0.1184","0.0787","","","0.1615","0.1828","","","","","","1.02","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080337","11.6736","0.0008","23.6185","0.0017","11.8942","0.0008","90","","94.527","0.001","90","","3269.2","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C62 H71 F12 Ir N O5 P3 Sb2 -","- C62 H57 F12 Ir N O5 P3 Sb2 -","- C124 H114 F24 Ir2 N2 O10 P6 Sb4 -","2","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ram\?írez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Chiral Octahedral Phosphano‒Oxazoline Iridium(III) Complexes as Catalysts in Asymmetric Cycloaddition Reactions","Organometallics","2013","32","6","1609","","10.1021/om301089c","","","0.71073","MoKα","","0.0779","0.0605","","","0.1093","0.117","","","","","","1.046","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080338","13.102","0.005","16.399","0.005","14.495","0.005","90","0.005","109.079","0.005","90","0.005","2943.3","1.8","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C59 H59 Cl2 F12 Ir N O3 P3 Sb2 -","- C59 H45 Cl2 F12 Ir N O3 P3 Sb2 -","- C118 H90 Cl4 F24 Ir2 N2 O6 P6 Sb4 -","2","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ram\?írez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Chiral Octahedral Phosphano‒Oxazoline Iridium(III) Complexes as Catalysts in Asymmetric Cycloaddition Reactions","Organometallics","2013","32","6","1609","","10.1021/om301089c","","","0.71069","MoKα","","0.0666","0.0592","","","0.119","0.1221","","","","","","1.117","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080339","14.003","0.003","18.597","0.004","22.965","0.005","90","","90","","90","","5980","2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C67 H91 F8 Ir N O7 P4 Sb -","- C51 H51 F8 Ir N O3 P4 Sb -","- C204 H204 F32 Ir4 N4 O12 P16 Sb4 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ram\?írez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Chiral Octahedral Phosphano‒Oxazoline Iridium(III) Complexes as Catalysts in Asymmetric Cycloaddition Reactions","Organometallics","2013","32","6","1609","","10.1021/om301089c","","","0.71073","MoKα","","0.0905","0.0532","","","0.0969","0.1073","","","","","","0.918","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080340","25.703","0.003","26.433","0.003","21.329","0.002","90","","90","","90","","14491","3","100","2","100","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C139 H158 Cl2 F24 Ir2 N2 O4 P6 Sb4 -","- C120 H112 Cl2 F24 Ir2 N2 O4 P6 Sb4 -","- C480 H448 Cl8 F96 Ir8 N8 O16 P24 Sb16 -","4","1","","Carmona, Daniel; Ferrer, Joaquina; Garc\?ía, Néstor; Ram\?írez, Paola; Lahoz, Fernando J.; Garc\?ía-Orduña, Pilar; Oro, Luis A.","Chiral Octahedral Phosphano‒Oxazoline Iridium(III) Complexes as Catalysts in Asymmetric Cycloaddition Reactions","Organometallics","2013","32","6","1609","","10.1021/om301089c","","","0.71073","MoKα","","0.1114","0.0861","","","0.2308","0.2468","","","","","","1.06","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080341","36.731","0.009","12.654","0.003","22.999","0.006","90","","124.22","0.004","90","","8839","4","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H65 Br3 N2 O3 Th -","- C33 H49 Br3 N2 O Th -","- C264 H392 Br24 N16 O8 Th8 -","8","1","","Monreal, Marisa J.; Wright, Robert J.; Morris, David E.; Scott, Brian L.; Golden, Jeffery T.; Power, Philip P.; Kiplinger, Jaqueline L.","Thorium(IV) and Uranium(IV) Halide Complexes Supported by Bulky β-Diketiminate Ligands","Organometallics","2013","32","5","1423","","10.1021/om3010965","","","0.71073","MoKα","","0.0718","0.0425","","","0.0969","0.1051","","","","","","1.044","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080342","25.94","0.005","21.3","0.004","17.171","0.003","90","","115.181","0.003","90","","8586","3","141","2","141","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H69 Br3 N2 O2 Th -","- C39 H61 Br3 N2 O Th -","- C312 H488 Br24 N16 O8 Th8 -","8","1","","Monreal, Marisa J.; Wright, Robert J.; Morris, David E.; Scott, Brian L.; Golden, Jeffery T.; Power, Philip P.; Kiplinger, Jaqueline L.","Thorium(IV) and Uranium(IV) Halide Complexes Supported by Bulky β-Diketiminate Ligands","Organometallics","2013","32","5","1423","","10.1021/om3010965","","","0.71073","MoKα","","0.0498","0.0347","","","0.0826","0.0876","","","","","","1.019","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080343","10.6208","0.0001","20.3151","0.0002","18.8606","0.0002","90","","105.52","","90","","3921.03","0.07","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H60 Br2 N2 Th -","- C41 H60 Br2 N2 Th -","- C164 H240 Br8 N8 Th4 -","4","1","","Monreal, Marisa J.; Wright, Robert J.; Morris, David E.; Scott, Brian L.; Golden, Jeffery T.; Power, Philip P.; Kiplinger, Jaqueline L.","Thorium(IV) and Uranium(IV) Halide Complexes Supported by Bulky β-Diketiminate Ligands","Organometallics","2013","32","5","1423","","10.1021/om3010965","","","0.71073","MoKα","","0.0198","0.0176","","","0.0488","0.0493","","","","","","1.472","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080344","35.507","0.008","12.576","0.003","22.923","0.005","90","","124.222","0.003","90","","8464","3","141","2","141","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H63 Cl3 N2 O U -","- C33 H49 Cl3 N2 O U -","- C264 H392 Cl24 N16 O8 U8 -","8","1","","Monreal, Marisa J.; Wright, Robert J.; Morris, David E.; Scott, Brian L.; Golden, Jeffery T.; Power, Philip P.; Kiplinger, Jaqueline L.","Thorium(IV) and Uranium(IV) Halide Complexes Supported by Bulky β-Diketiminate Ligands","Organometallics","2013","32","5","1423","","10.1021/om3010965","","","0.71073","MoKα","","0.1071","0.0602","","","0.128","0.1431","","","","","","0.947","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080345","10.2148","0.0004","10.6827","0.0004","18.9861","0.0008","83.799","0.001","82.505","0.001","61.941","0.001","1810.08","0.13","140","1","140","1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H53 Cl3 N2 U -","- C35 H53 Cl3 N2 U -","- C70 H106 Cl6 N4 U2 -","2","1","","Monreal, Marisa J.; Wright, Robert J.; Morris, David E.; Scott, Brian L.; Golden, Jeffery T.; Power, Philip P.; Kiplinger, Jaqueline L.","Thorium(IV) and Uranium(IV) Halide Complexes Supported by Bulky β-Diketiminate Ligands","Organometallics","2013","32","5","1423","","10.1021/om3010965","","","0.71073","MoKα","","0.0154","0.0145","","","0.0387","0.039","","","","","","1.152","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080346","15","0.003","19.922","0.003","23.849","0.004","90","","91.273","0.003","90","","7125","2","141","2","141","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68.5 H94 Cl6 N4 U2 -","- C68.5 H90 Cl6 N4 U2 -","- C274 H360 Cl24 N16 U8 -","4","1","","Monreal, Marisa J.; Wright, Robert J.; Morris, David E.; Scott, Brian L.; Golden, Jeffery T.; Power, Philip P.; Kiplinger, Jaqueline L.","Thorium(IV) and Uranium(IV) Halide Complexes Supported by Bulky β-Diketiminate Ligands","Organometallics","2013","32","5","1423","","10.1021/om3010965","","","0.71073","MoKα","","0.1267","0.0652","","","0.1043","0.1199","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080347","11.616","0.002","12.321","0.003","18.436","0.004","98.92","0.03","102.4","0.03","98.87","0.03","2497.3","1.1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Ce Li O6 Si4 -","- C40 H78 Ce Li O6 Si4 -","- C80 H156 Ce2 Li2 O12 Si8 -","2","1","","Edelmann, Anja; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Blaurock, Steffen; Edelmann, Frank T.","Steric Effects in Lanthanide Sandwich Complexes Containing Bulky Cyclooctatetraenyl Ligands","Organometallics","2013","32","5","1435","","10.1021/om3010993","","","0.71073","MoKα","","0.0477","0.0325","","","0.0748","0.0783","","","","","","0.936","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080348","11.3988","0.0002","11.7195","0.0002","19.5981","0.0004","87.119","0.002","81.867","0.002","78.888","0.002","2542.44","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H80 Li Nd O4 Si4 -","- C44 H80 Li Nd O4 Si4 -","- C88 H160 Li2 Nd2 O8 Si8 -","2","1","","Edelmann, Anja; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Blaurock, Steffen; Edelmann, Frank T.","Steric Effects in Lanthanide Sandwich Complexes Containing Bulky Cyclooctatetraenyl Ligands","Organometallics","2013","32","5","1435","","10.1021/om3010993","","","0.71073","MoKα","","0.0358","0.0292","","","0.0626","0.0644","","","","","","1.049","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080349","18.051","0.004","19.402","0.004","21.261","0.004","90","","114.3","0.03","90","","6786","3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H112 Ce Li O8 Si4 -","- C56 H112 Ce Li O8 Si4 -","- C224 H448 Ce4 Li4 O32 Si16 -","4","1","","Edelmann, Anja; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Blaurock, Steffen; Edelmann, Frank T.","Steric Effects in Lanthanide Sandwich Complexes Containing Bulky Cyclooctatetraenyl Ligands","Organometallics","2013","32","5","1435","","10.1021/om3010993","","","0.71073","MoKα","","0.061","0.031","","","0.0639","0.0672","","","","","","0.726","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080350","12.462","0.003","10.798","0.002","21.049","0.004","90","","102.05","0.03","90","","2770","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H80 Cl2 Nd2 O2 Si4 -","- C50 H80 Cl2 Nd2 O2 Si4 -","- C100 H160 Cl4 Nd4 O4 Si8 -","2","0.5","","Edelmann, Anja; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Blaurock, Steffen; Edelmann, Frank T.","Steric Effects in Lanthanide Sandwich Complexes Containing Bulky Cyclooctatetraenyl Ligands","Organometallics","2013","32","5","1435","","10.1021/om3010993","","","0.71073","MoKα","","0.046","0.0349","","","0.0948","0.097","","","","","","1.029","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080351","12.529","0.003","32.137","0.006","14.071","0.003","90","","105.77","0.03","90","","5452","2","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H83 N2 O Si2 Yb -","- C57 H83 N2 O Si2 Yb -","- C228 H332 N8 O4 Si8 Yb4 -","4","1","","Edelmann, Anja; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Blaurock, Steffen; Edelmann, Frank T.","Steric Effects in Lanthanide Sandwich Complexes Containing Bulky Cyclooctatetraenyl Ligands","Organometallics","2013","32","5","1435","","10.1021/om3010993","","","0.71073","MoKα","","0.0888","0.0541","","","0.1158","0.1273","","","","","","0.99","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080352","11.8","0.002","13.13","0.003","15.747","0.003","87.29","0.03","81.26","0.03","86.64","0.03","2405.4","0.8","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H72 Ho2 Si6 -","- C42 H72 Ho2 Si6 -","- C84 H144 Ho4 Si12 -","2","1","","Edelmann, Anja; Lorenz, Volker; Hrib, Cristian G.; Hilfert, Liane; Blaurock, Steffen; Edelmann, Frank T.","Steric Effects in Lanthanide Sandwich Complexes Containing Bulky Cyclooctatetraenyl Ligands","Organometallics","2013","32","5","1435","","10.1021/om3010993","","","0.71073","MoKα","","0.1077","0.0583","","","0.0906","0.1011","","","","","","0.979","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080353","12.2694","0.0011","15.4315","0.0015","18.0584","0.0017","90.416","0.005","99.78","0.004","95.898","0.004","3350.5","0.5","200","1","200","1","","","","","","","","9","P -1","-P 1","2","","","","- C32 H36 Au Cl F3 O3 P Ru S -","- C32 H36 Au Cl F3 O3 P Ru S -","- C128 H144 Au4 Cl4 F12 O12 P4 Ru4 S4 -","4","2","","Dubarle-Offner, Julien; Barbazanges, Marion; Augé Mylène; Desmarets, Christophe; Moussa, Jamal; Axet, M. Rosa; Ollivier, Cyril; Aubert, Corinne; Fensterbank, Louis; Gandon, Vincent; Malacria, Max; Gontard, Geoffrey; Amouri, Hani","Gold Compounds Anchored to a Metalated Arene Scaffold: Synthesis, X-ray Molecular Structures, and Cycloisomerization of Enyne","Organometallics","2013","32","6","1665","","10.1021/om301101z","","","0.71073","MoKα","","0.0673","0.0452","","","0.0998","0.1165","","","","","","1.07","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080354","8.8271","0.0002","34.611","0.0009","11.2302","0.0003","90","","98.165","0.001","90","","3396.21","0.15","200","1","200","1","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C31 H28 Au Cl F9 O3 P Ru S -","- C31 H28 Au Cl F9 O3 P Ru S -","- C124 H112 Au4 Cl4 F36 O12 P4 Ru4 S4 -","4","2","","Dubarle-Offner, Julien; Barbazanges, Marion; Augé Mylène; Desmarets, Christophe; Moussa, Jamal; Axet, M. Rosa; Ollivier, Cyril; Aubert, Corinne; Fensterbank, Louis; Gandon, Vincent; Malacria, Max; Gontard, Geoffrey; Amouri, Hani","Gold Compounds Anchored to a Metalated Arene Scaffold: Synthesis, X-ray Molecular Structures, and Cycloisomerization of Enyne","Organometallics","2013","32","6","1665","","10.1021/om301101z","","","1.54178","CuKα","","0.0267","0.026","","","0.067","0.0675","","","","","","1.038","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080355","13.1576","0.001","14.9541","0.0011","16.0818","0.0013","90","","96.078","0.001","90","","3146.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H47 O Sc Si3 -","- C28 H47 O Sc Si3 -","- C112 H188 O4 Sc4 Si12 -","4","1","","Li, Xiaofang; Wang, Xiaoying; Tong, Xin; Zhang, Hongxia; Chen, Yuanyuan; Liu, Ying; Liu, Hui; Wang, Xiaojie; Nishiura, Masayoshi; He, Huan; Lin, Zhenguo; Zhang, Shaowen; Hou, Zhaomin","Aluminum Effects in the Syndiospecific Copolymerization of Styrene with Ethylene by Cationic Fluorenyl Scandium Alkyl Catalysts","Organometallics","2013","32","5","1445","","10.1021/om3011036","","","0.71073","MoKα","","0.0315","0.0282","","","0.0845","0.0911","","","","","","1.114","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080356","30.756","0.002","17.8209","0.0012","49.797","0.003","90","","93.003","0.001","90","","27256","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C250 H450 O6 Sc6 Si18 -","- C250 H434 O6 Sc6 Si18 -","- C1000 H1736 O24 Sc24 Si72 -","4","0.5","","Li, Xiaofang; Wang, Xiaoying; Tong, Xin; Zhang, Hongxia; Chen, Yuanyuan; Liu, Ying; Liu, Hui; Wang, Xiaojie; Nishiura, Masayoshi; He, Huan; Lin, Zhenguo; Zhang, Shaowen; Hou, Zhaomin","Aluminum Effects in the Syndiospecific Copolymerization of Styrene with Ethylene by Cationic Fluorenyl Scandium Alkyl Catalysts","Organometallics","2013","32","5","1445","","10.1021/om3011036","","","0.71073","MoKα","","0.1125","0.0667","","","0.1673","0.2003","","","","","","1.026","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080357","9.9554","0.0005","14.8253","0.0007","17.849","0.0008","90","","90","","90","","2634.4","0.2","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 N Sc Si2 -","- C25 H40 N Sc Si2 -","- C100 H160 N4 Sc4 Si8 -","4","1","","Li, Xiaofang; Wang, Xiaoying; Tong, Xin; Zhang, Hongxia; Chen, Yuanyuan; Liu, Ying; Liu, Hui; Wang, Xiaojie; Nishiura, Masayoshi; He, Huan; Lin, Zhenguo; Zhang, Shaowen; Hou, Zhaomin","Aluminum Effects in the Syndiospecific Copolymerization of Styrene with Ethylene by Cationic Fluorenyl Scandium Alkyl Catalysts","Organometallics","2013","32","5","1445","","10.1021/om3011036","","","0.71073","MoKα","","0.0278","0.0256","","","0.0631","0.0643","","","","","","1.013","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080358","11.0418","0.0005","15.1637","0.0007","21.436","0.001","90","","97.756","0.001","90","","3556.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 N Sc Si2 -","- C33 H56 N Sc Si2 -","- C132 H224 N4 Sc4 Si8 -","4","1","","Li, Xiaofang; Wang, Xiaoying; Tong, Xin; Zhang, Hongxia; Chen, Yuanyuan; Liu, Ying; Liu, Hui; Wang, Xiaojie; Nishiura, Masayoshi; He, Huan; Lin, Zhenguo; Zhang, Shaowen; Hou, Zhaomin","Aluminum Effects in the Syndiospecific Copolymerization of Styrene with Ethylene by Cationic Fluorenyl Scandium Alkyl Catalysts","Organometallics","2013","32","5","1445","","10.1021/om3011036","","","0.71073","MoKα","","0.0542","0.0392","","","0.0924","0.1024","","","","","","1.023","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080359","14.5019","0.0013","21.336","0.0018","16.1952","0.0014","90","","92.803","0.002","90","","5005","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H79 Cl Li O3 Sc Si3 -","- C44 H77 Cl Li O3 Sc Si3 -","- C176 H308 Cl4 Li4 O12 Sc4 Si12 -","4","1","","Li, Xiaofang; Wang, Xiaoying; Tong, Xin; Zhang, Hongxia; Chen, Yuanyuan; Liu, Ying; Liu, Hui; Wang, Xiaojie; Nishiura, Masayoshi; He, Huan; Lin, Zhenguo; Zhang, Shaowen; Hou, Zhaomin","Aluminum Effects in the Syndiospecific Copolymerization of Styrene with Ethylene by Cationic Fluorenyl Scandium Alkyl Catalysts","Organometallics","2013","32","5","1445","","10.1021/om3011036","","","0.71073","MoKα","","0.0857","0.0561","","","0.1669","0.2122","","","","","","1.05","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080360","10.652","0.001","26.052","0.001","11.446","0.001","90","","107.083","0.001","90","","3036.2","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C66 H87 N2 O4 P2 Y -","- C66 H87 N2 O4 P2 Y -","- C132 H174 N4 O8 P4 Y2 -","2","0.5","","Bakewell, Clare; Cao, Thi-Phuong-Anh; Le Goff, Xavier F.; Long, Nicholas J.; Auffrant, Audrey; Williams, Charlotte K.","Yttrium Phosphasalen Initiators forrac-Lactide Polymerization","Organometallics","2013","32","5","1475","","10.1021/om301129k","","","0.71069","MoKα","","0.0655","0.0512","","","0.1277","0.1416","","","","","","1.033","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080361","10.652","0.001","26.078","0.001","11.444","0.001","90","","107.043","0.001","90","","3039.3","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H87 N2 O4 P2 Y -","- C66 H87 N2 O4 P2 Y -","- C132 H174 N4 O8 P4 Y2 -","2","1","","Bakewell, Clare; Cao, Thi-Phuong-Anh; Le Goff, Xavier F.; Long, Nicholas J.; Auffrant, Audrey; Williams, Charlotte K.","Yttrium Phosphasalen Initiators forrac-Lactide Polymerization","Organometallics","2013","32","5","1475","","10.1021/om301129k","","","0.71069","MoKα","","0.0791","0.0603","","","0.119","0.1327","","","","","","1.111","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080362","11.409","0.001","27.849","0.001","21.019","0.001","90","","113.905","0.005","90","","6105.5","0.7","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H87 N2 O4 P2 Y -","- C65 H87 N2 O4 P2 Y -","- C260 H348 N8 O16 P8 Y4 -","4","1","","Bakewell, Clare; Cao, Thi-Phuong-Anh; Le Goff, Xavier F.; Long, Nicholas J.; Auffrant, Audrey; Williams, Charlotte K.","Yttrium Phosphasalen Initiators forrac-Lactide Polymerization","Organometallics","2013","32","5","1475","","10.1021/om301129k","","","0.71069","MoKα","","0.086","0.0783","","","0.1588","0.1628","","","","","","1.159","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080363","35.816","0.001","19.399","0.001","25.18","0.001","90","","123.852","0.001","90","","14529.2","1","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H105 N2 O4 P2 Y -","- C66 H81 N2 O4 P2 Y -","- C528 H648 N16 O32 P16 Y8 -","8","1","","Bakewell, Clare; Cao, Thi-Phuong-Anh; Le Goff, Xavier F.; Long, Nicholas J.; Auffrant, Audrey; Williams, Charlotte K.","Yttrium Phosphasalen Initiators forrac-Lactide Polymerization","Organometallics","2013","32","5","1475","","10.1021/om301129k","","","0.71069","MoKα","","0.0985","0.0702","","","0.1679","0.1837","","","","","","1.036","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080364","12.3983","0.0016","19.246","0.003","26.498","0.004","82.016","0.004","79.396","0.004","88.571","0.002","6154.7","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H224 N2 O2 Si2 U2 -","- C113 H175 N4 O2 Si4 U2 -","- C226 H350 N8 O4 Si8 U4 -","2","1","","Andreychuk, Nicholas R.; Ilango, Sougandi; Vidjayacoumar, Balamurugan; Emslie, David J. H.; Jenkins, Hilary A.","Uranium(IV) Alkyl Complexes of a Rigid Dianionic NON-Donor Ligand: Synthesis and Quantitative Alkyl Exchange Reactions with Alkyllithium Reagents","Organometallics","2013","32","5","1466","","10.1021/om301136f","","","0.71073","MoKα","","0.0824","0.0499","","","0.1063","0.1162","","","","","","0.964","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4080365","31.383","0.016","9.827","0.005","38.88","0.02","90","","102.716","0.011","90","","11697","10","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H98 N2 O U -","- C57 H84 N2 O U -","- C456 H672 N16 O8 U8 -","8","2","","Andreychuk, Nicholas R.; Ilango, Sougandi; Vidjayacoumar, Balamurugan; Emslie, David J. H.; Jenkins, Hilary A.","Uranium(IV) Alkyl Complexes of a Rigid Dianionic NON-Donor Ligand: Synthesis and Quantitative Alkyl Exchange Reactions with Alkyllithium Reagents","Organometallics","2013","32","5","1466","","10.1021/om301136f","","","0.71073","MoKα","","0.098","0.0528","","","0.1168","0.1317","","","","","","0.959","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080366","14.259","0.004","14.344","0.004","17.959","0.005","76.978","0.005","81.499","0.005","83.966","0.006","3529.6","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H111 Li N2 O9 U -","- C66 H111 Li N2 O9 U -","- C132 H222 Li2 N4 O18 U2 -","2","1","","Andreychuk, Nicholas R.; Ilango, Sougandi; Vidjayacoumar, Balamurugan; Emslie, David J. H.; Jenkins, Hilary A.","Uranium(IV) Alkyl Complexes of a Rigid Dianionic NON-Donor Ligand: Synthesis and Quantitative Alkyl Exchange Reactions with Alkyllithium Reagents","Organometallics","2013","32","5","1466","","10.1021/om301136f","","","0.71073","MoKα","","0.1435","0.0653","","","0.122","0.1498","","","","","","0.985","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080367","8.6868","0.0007","14.4742","0.0012","9.3571","0.0008","90","","105.293","0.002","90","","1134.85","0.16","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Cl3 N O Si -","- C8 H10 Cl3 N O Si -","- C32 H40 Cl12 N4 O4 Si4 -","4","1","","Sohail, Muhammad; Bassindale, Alan R.; Taylor, Peter G.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Synthesis and Hydrolysis‒Condensation Study of Water-Soluble Self-Assembled Pentacoordinate Polysilylamides","Organometallics","2013","32","6","1721","","10.1021/om301137b","","","0.71073","MoKα","","0.0615","0.0423","","","0.0851","0.0917","","","","","","1","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080368","11.806","0.0009","8.8251","0.0007","13.1856","0.001","90","","99.413","0.001","90","","1355.3","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 Cl2 N O3 Si -","- C9 H17 Cl2 N O3 Si -","- C36 H68 Cl8 N4 O12 Si4 -","4","1","","Sohail, Muhammad; Bassindale, Alan R.; Taylor, Peter G.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Synthesis and Hydrolysis‒Condensation Study of Water-Soluble Self-Assembled Pentacoordinate Polysilylamides","Organometallics","2013","32","6","1721","","10.1021/om301137b","","","0.71073","MoKα","","0.0438","0.036","","","0.0697","0.0725","","","","","","1","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080369","7.8386","0.0005","21.0217","0.0013","7.4554","0.0005","90","","90","","90","","1228.51","0.14","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl3 N O2 Si -","- C8 H12 Cl3 N O2 Si -","- C32 H48 Cl12 N4 O8 Si4 -","4","1","","Sohail, Muhammad; Bassindale, Alan R.; Taylor, Peter G.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Synthesis and Hydrolysis‒Condensation Study of Water-Soluble Self-Assembled Pentacoordinate Polysilylamides","Organometallics","2013","32","6","1721","","10.1021/om301137b","","","0.71073","MoKα","","0.0441","0.0361","","","0.0804","0.084","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080370","7.6476","0.0005","18.2561","0.0012","8.9072","0.0006","90","","114.373","0.001","90","","1132.75","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 Cl4 N2 O3 Si2 -","- C16 H24 Cl4 N2 O3 Si2 -","- C32 H48 Cl8 N4 O6 Si4 -","2","0.5","","Sohail, Muhammad; Bassindale, Alan R.; Taylor, Peter G.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Synthesis and Hydrolysis‒Condensation Study of Water-Soluble Self-Assembled Pentacoordinate Polysilylamides","Organometallics","2013","32","6","1721","","10.1021/om301137b","","","0.71073","MoKα","","0.056","0.0381","","","0.0716","0.0734","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080371","7.941","0.003","10.448","0.005","12.404","0.006","88.673","0.012","71.708","0.011","71.435","0.012","922.9","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H21.75 Cl1.75 N2 O3 Si -","- C15 H19 Cl1.74 N2 O3.002 Si -","- C30 H38 Cl3.48 N4 O6.004 Si2 -","2","1","","Sohail, Muhammad; Bassindale, Alan R.; Taylor, Peter G.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Male, Louise; Coles, Simon J.; Hursthouse, Michael B.","Synthesis and Hydrolysis‒Condensation Study of Water-Soluble Self-Assembled Pentacoordinate Polysilylamides","Organometallics","2013","32","6","1721","","10.1021/om301137b","","","0.6889","synchrotron","","0.0646","0.0545","","","0.1441","0.1536","","","","","","1.038","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080372","28.1568","0.0011","40.7185","0.0018","11.4426","0.0004","90","","90","","90","","13119","0.9","150","0.02","150","0.02","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C33 H44 B N6 O U -","- C33 H44 B N6 O U -","- C528 H704 B16 N96 O16 U16 -","16","1","","Matson, Ellen M.; Forrest, William P.; Fanwick, Phillip E.; Bart, Suzanne C.","Synthesis and Reactivity of Trivalent Tp*U(CH2Ph)2(THF): Insertion vs Oxidation at Low-Valent Uranium–Carbon Bonds","Organometallics","2013","32","5","1484","","10.1021/om301139h","","","0.71073","MO-Kα","","0.054","0.039","","","0.074","0.079","","","","","","1.05","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4080373","11.4951","0.0003","14.206","0.0004","16.4196","0.0007","81.376","0.003","73.371","0.003","69.5017","0.0019","2402.8","0.15","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H61 B N6 O2 U -","- C53 H61 B N6 O2 U -","- C106 H122 B2 N12 O4 U2 -","2","1","","Matson, Ellen M.; Forrest, William P.; Fanwick, Phillip E.; Bart, Suzanne C.","Synthesis and Reactivity of Trivalent Tp*U(CH2Ph)2(THF): Insertion vs Oxidation at Low-Valent Uranium–Carbon Bonds","Organometallics","2013","32","5","1484","","10.1021/om301139h","","","1.54184","CU-Kα","","0.036","0.036","","","0.092","0.093","","","","","","1.074","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4080374","10.8811","0.0004","22.5809","0.0008","20.1628","0.0007","90","","102.187","0.003","90","","4842.5","0.3","150","0.2","150","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H67 B N10 O2 U -","- C48 H67 B N10 O2 U -","- C192 H268 B4 N40 O8 U4 -","4","1","","Matson, Ellen M.; Forrest, William P.; Fanwick, Phillip E.; Bart, Suzanne C.","Synthesis and Reactivity of Trivalent Tp*U(CH2Ph)2(THF): Insertion vs Oxidation at Low-Valent Uranium–Carbon Bonds","Organometallics","2013","32","5","1484","","10.1021/om301139h","","","1.54184","CU-Kα","","0.05","0.045","","","0.13","0.139","","","","","","1.121","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4080375","10.9314","0.0007","14.5626","0.0014","14.7879","0.0009","63.69","0.005","74.055","0.006","75.903","0.007","2008.7","0.3","150","0.2","150","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H48 B N7 O U -","- C35 H48 B N7 O U -","- C70 H96 B2 N14 O2 U2 -","2","1","","Matson, Ellen M.; Forrest, William P.; Fanwick, Phillip E.; Bart, Suzanne C.","Synthesis and Reactivity of Trivalent Tp*U(CH2Ph)2(THF): Insertion vs Oxidation at Low-Valent Uranium–Carbon Bonds","Organometallics","2013","32","5","1484","","10.1021/om301139h","","","1.54184","CU-Kα","","0.058","0.057","","","0.15","0.151","","","","","","1.077","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4080376","10.6806","0.0003","11.0989","0.0002","16.6846","0.0004","106.895","0.001","106.276","0.001","116.777","0.001","1480.92","0.07","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C35 H34 Al N O Si -","- C35 H34 Al N O Si -","- C70 H68 Al2 N2 O2 Si2 -","2","1","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.0735","0.0457","","","0.103","0.1156","","","","","","1.065","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080377","12.457","0.004","12.815","0.004","19.042","0.007","88.399","0.012","85.994","0.012","76.229","0.012","2945","1.7","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C34 H33 Al N2 O Si -","- C34 H33 Al N2 O Si -","- C136 H132 Al4 N8 O4 Si4 -","4","2","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.164","0.0613","","","0.1137","0.1519","","","","","","0.951","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080378","10.317","0.003","16.229","0.004","21.408","0.005","80.609","0.008","87.483","0.011","81.689","0.011","3498.5","1.6","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C40 H43 In N2 O Si -","- C40 H43 Al N2 O Si -","- C160 H172 Al4 N8 O4 Si4 -","4","2","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.1235","0.063","","","0.1459","0.1752","","","","","","1.027","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080379","17.1495","0.0005","11.1441","0.0003","18.2625","0.0005","90","","115.337","0.001","90","","3154.51","0.15","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 In N2 O Si -","- C37 H33 In N2 O Si -","- C148 H132 In4 N8 O4 Si4 -","4","1","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.0365","0.0281","","","0.0689","0.074","","","","","","1.048","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080380","10.512","0.0005","16.1052","0.0007","21.2943","0.0007","80.836","0.001","88.792","0.001","80.585","0.001","3511.1","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C40 H43 In N2 O Si -","- C40 H43 In N2 O Si -","- C160 H172 In4 N8 O4 Si4 -","4","2","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.0392","0.0286","","","0.0637","0.068","","","","","","1.028","","","","has coordinates","278158","2022-09-26","15:28:11",""
"4080381","14.5921","0.0004","15.1638","0.0004","19.8274","0.0006","90","","99.837","0.001","90","","4322.7","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H52 In N2 O Si3 -","- C46 H52 In N2 O Si3 -","- C184 H208 In4 N8 O4 Si12 -","4","1","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.0327","0.0251","","","0.0779","0.0953","","","","","","1.186","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080382","14.5801","0.0007","16.4131","0.0008","32.5737","0.0016","90","","98.132","0.002","90","","7716.7","0.7","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H76 Al2 N2 O4 Si2 -","- C74 H76 Al2 N2 O4 Si2 -","- C296 H304 Al8 N8 O16 Si8 -","4","0.5","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.0898","0.0753","","","0.2042","0.2112","","","","","","1.11","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080383","9.3187","0.0013","27.975","0.004","11.3288","0.0018","90","","100.289","0.005","90","","2905.8","0.7","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C36 H34 N2 O2 Si -","- C36 H34 N2 O2 Si -","- C144 H136 N8 O8 Si4 -","4","1","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.1557","0.0578","","","0.1071","0.1375","","","","","","0.977","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080384","9.1793","0.0006","18.3533","0.0012","31.392","0.002","90","","90","","90","","5288.6","0.6","150","2","150","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C33 H29 N O Si -","- C33 H29 N O Si -","- C264 H232 N8 O8 Si8 -","8","1","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.0556","0.0406","","","0.0962","0.1041","","","","","","1.017","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080385","10.0428","0.0006","28.804","0.002","10.7253","0.0009","90","","115.727","0.004","90","","2795","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C32 H35 N O Si -","- C32 H35 N O Si -","- C128 H140 N4 O4 Si4 -","4","2","","Normand, Mickael; Dorcet, Vincent; Kirillov, Evgeny; Carpentier, Jean-François","{Phenoxy-imine}aluminum versus -indium Complexes for the Immortal ROP of Lactide: Different Stereocontrol, Different Mechanisms","Organometallics","2013","32","6","1694","","10.1021/om301155m","","x-ray","0.71073","MoKα","","0.0688","0.0522","","","0.1231","0.1356","","","","","","1.02","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080386","22.2691","0.0015","21.9669","0.0008","11.5215","0.0004","90","","96.973","0.007","90","","5594.4","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 I4 O8 Si8 -","- C40 H52 I4 O8 Si8 -","- C160 H208 I16 O32 Si32 -","4","1","","Panisch, Robin; Bassindale, Alan R.; Korlyukov, Alexander A.; Pitak, Mateusz B.; Coles, Simon J.; Taylor, Peter G.","Selective Derivatization and Characterization of Bifunctional “Janus-Type” Cyclotetrasiloxanes","Organometallics","2013","32","6","1732","","10.1021/om301158w","","","0.71075","MoKα","","0.0627","0.0539","","","0.1452","0.1517","","","","","","1.128","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080387","68.514","0.006","68.514","0.006","10.822","0.001","90","","90","","120","","43994","7","100","","100.15","","","","","","","","","4","R -3","-R 3","148","","","","- C94 H90 O8 Si8 -","- C94 H90 O8 Si8 -","- C1692 H1620 O144 Si144 -","18","","","Panisch, Robin; Bassindale, Alan R.; Korlyukov, Alexander A.; Pitak, Mateusz B.; Coles, Simon J.; Taylor, Peter G.","Selective Derivatization and Characterization of Bifunctional “Janus-Type” Cyclotetrasiloxanes","Organometallics","2013","32","6","1732","","10.1021/om301158w","","","0.71073","MoKα","","0.191","0.1019","","","0.2185","0.2507","","","","","","1.008","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080388","11.0828","0.0013","12.9661","0.0016","15.6133","0.0019","90","","90","","90","","2243.6","0.5","100","","100","","","","","","","","tetrahydrofuran","6","P b c n","-P 2n 2ab","60","","N,N'-bis(4-tolylsulfonyl)- 4,9-diazadodeca-1,11-diene-6-yne-nickel","","- C24 H28 N2 Ni O4 S2 -","- C24 H28 N2 Ni O4 S2 -","- C96 H112 N8 Ni4 O16 S8 -","4","0.5","","Brun, Sandra; Torres, Óscar; Pla-Quintana, Anna; Roglans, Anna; Goddard, Richard; Pörschke, Klaus-Richard","Nickel(0) Complexes of Acyclic Polyunsaturated Aza Ligands","Organometallics","2013","32","6","1710","","10.1021/om301160m","","","0.71073","Mo-Kα","","0.0276","0.0246","","","0.072","0.0736","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080389","11.0276","0.0014","16.379","0.002","17.013","0.002","90","","90","","90","","3072.9","0.7","100","","100","","","","","","","","tetrahydrofuran","6","P 21 21 21","P 2ac 2ab","19","","N,N'-bis(4-tolylsulfonyl)- 4,9-diazadodeca-1,11-diene-6-yne-dinickel-cycloocta-1,4-diene","","- C32 H40 N2 Ni2 O4 S2 -","- C32 H40 N2 Ni2 O4 S2 -","- C128 H160 N8 Ni8 O16 S8 -","4","1","","Brun, Sandra; Torres, Óscar; Pla-Quintana, Anna; Roglans, Anna; Goddard, Richard; Pörschke, Klaus-Richard","Nickel(0) Complexes of Acyclic Polyunsaturated Aza Ligands","Organometallics","2013","32","6","1710","","10.1021/om301160m","","","0.71073","Mo-Kα","","0.0523","0.0486","","","0.1204","0.1219","","","","","","1.167","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080390","10.7565","0.0018","15.921","0.003","16.427","0.003","90","","105.413","0.002","90","","2712","0.8","100","","100","","","","","","","","tetrahydrofuran","6","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(4-tolylsulfonyl)- 4,9-diazatrideca-1,6-diene-11-yne-nickel hemi-tetrahydrofuran solute","","- C54 H72 N4 Ni2 O9 S4 -","- C54 H72 N4 Ni2 O9 S4 -","- C108 H144 N8 Ni4 O18 S8 -","2","0.5","","Brun, Sandra; Torres, Óscar; Pla-Quintana, Anna; Roglans, Anna; Goddard, Richard; Pörschke, Klaus-Richard","Nickel(0) Complexes of Acyclic Polyunsaturated Aza Ligands","Organometallics","2013","32","6","1710","","10.1021/om301160m","","","0.71073","Mo-Kα","","0.0518","0.0457","","","0.1267","0.1323","","","","","","1.022","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080391","19.161","0.003","11.114","0.002","18.851","0.003","90","","117.238","0.003","90","","3569.3","1","100","","100","","","","","","","","tetrahydrofuran","6","P 1 21/c 1","-P 2ybc","14","","N,N'-bis(4-tolylsulfonyl)- 4,9-diazatrideca-1,6-diene-11-yne-dinickel-cycloocta-1,4-diene tetrahydrofuran solute","","- C37 H50 N2 Ni2 O5 S2 -","- C37 H50 N2 Ni2 O5 S2 -","- C148 H200 N8 Ni8 O20 S8 -","4","1","","Brun, Sandra; Torres, Óscar; Pla-Quintana, Anna; Roglans, Anna; Goddard, Richard; Pörschke, Klaus-Richard","Nickel(0) Complexes of Acyclic Polyunsaturated Aza Ligands","Organometallics","2013","32","6","1710","","10.1021/om301160m","","","0.71073","Mo-Kα","","0.1068","0.0579","","","0.1434","0.1674","","","","","","1.196","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080392","29.021","0.002","8.5304","0.0007","13.8195","0.0011","90","","102.291","0.001","90","","3342.7","0.4","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 Cl2 O2 S Ta -","- C14 H23 Cl2 O2 S Ta -","- C112 H184 Cl16 O16 S8 Ta8 -","8","2","","Fernández-Gallardo, Jacob; Bajo, Ángel; Fandos, Rosa; Otero, Antonio; Rodr\?íguez, Ana; Ruiz, María José","Insertion Reactions in Ta‒H and Ta‒Me Bonds in Complexes Containing Tridentate κ3O,S,O-Type Ligands","Organometallics","2013","32","6","1752","","10.1021/om3011728","","","0.71073","MoKα","","0.0454","0.035","","","0.076","0.0816","","","","","","1.043","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080393","8.8889","0.0018","9.8859","0.0019","14.654","0.003","84.953","0.005","82.566","0.004","73.729","0.004","1223.9","0.4","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 F6 O8 S3 Ta -","- C16 H23 F6 O8 S3 Ta -","- C32 H46 F12 O16 S6 Ta2 -","2","1","","Fernández-Gallardo, Jacob; Bajo, Ángel; Fandos, Rosa; Otero, Antonio; Rodr\?íguez, Ana; Ruiz, María José","Insertion Reactions in Ta‒H and Ta‒Me Bonds in Complexes Containing Tridentate κ3O,S,O-Type Ligands","Organometallics","2013","32","6","1752","","10.1021/om3011728","","","0.71073","MoKα","","0.1213","0.0686","","","0.1305","0.1568","","","","","","0.956","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080394","9.7149","0.0006","13.1293","0.0008","38.866","0.003","90.112","0.004","90.192","0.004","105.038","0.003","4787.5","0.6","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H45 O P4 S4 Si -","- C52 H45 O P4 S4 Si -","- C208 H180 O4 P16 S16 Si4 -","4","2","","Yang, Yi-Fan; Foo, Cechao; Xi, Hong-Wei; Li, Yongxin; Lim, Kok Hwa; So, Cheuk-Wai","A Base-Stabilized 2-Silaallene","Organometallics","2013","32","7","2267","","10.1021/om301175p","","","0.71073","MoKα","","0.1598","0.0733","","","0.1571","0.2116","","","","","","0.969","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080395","20.0694","0.0009","13.8996","0.0006","22.8318","0.0008","90","","111.954","0.002","90","","5907.2","0.4","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H58 Cl4 N2 P4 S4 Si -","- C59 H58 Cl4 N2 P4 S4 Si -","- C236 H232 Cl16 N8 P16 S16 Si4 -","4","1","","Yang, Yi-Fan; Foo, Cechao; Xi, Hong-Wei; Li, Yongxin; Lim, Kok Hwa; So, Cheuk-Wai","A Base-Stabilized 2-Silaallene","Organometallics","2013","32","7","2267","","10.1021/om301175p","","","0.71073","MoKα","","0.1258","0.0741","","","0.2071","0.2498","","","","","","1.071","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080396","11.0718","0.0017","25.4","0.004","26.095","0.005","90","","90","","90","","7339","2","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84 H84 Cl Li3 O12 U -","- C84 H84 Cl Li3 O12 U -","- C336 H336 Cl4 Li12 O48 U4 -","4","1","","Robinson, Jerome R.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","Uranium(IV) BINOLate Heterobimetallics: Synthesis and Reactivity in an Asymmetric Diels‒Alder Reaction","Organometallics","2013","32","5","1493","","10.1021/om3011849","","","0.71073","MoKα","","0.0231","0.0211","","","0.0549","0.0557","","","","","","1.032","","","","has coordinates,has disorder","178692","2020-10-21","18:00:00",""
"4080397","19.834","0.003","25.703","0.005","30.533","0.005","90","","90","","90","","15566","5","143","1","143","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C72 H66 Cl Li3 N6 O6 U -","- C72 H66 Cl Li3 N6 O6 U -","- C576 H528 Cl8 Li24 N48 O48 U8 -","8","2","","Robinson, Jerome R.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","Uranium(IV) BINOLate Heterobimetallics: Synthesis and Reactivity in an Asymmetric Diels‒Alder Reaction","Organometallics","2013","32","5","1493","","10.1021/om3011849","","","0.71073","MoKα","","0.0736","0.0574","","","0.1416","0.1504","","","","","","1.039","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080398","15.554","0.003","24.866","0.004","30.021","0.005","90","","90","","90","","11611","3","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C109 H101 Br8 Li3 O14 U -","- C109 H101 Br8 Li3 O14 U -","- C436 H404 Br32 Li12 O56 U4 -","4","1","","Robinson, Jerome R.; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","Uranium(IV) BINOLate Heterobimetallics: Synthesis and Reactivity in an Asymmetric Diels‒Alder Reaction","Organometallics","2013","32","5","1493","","10.1021/om3011849","","","0.71073","MoKα","","0.0767","0.062","","","0.1423","0.1485","","","","","","1.08","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080399","10.84","0.005","11.003","0.004","13.958","0.005","95.694","0.007","96.6","0.006","107.189","0.01","1564.3","1.1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H36 Au F5 N2 O -","- C33 H36 Au F5 N2 O -","- C66 H72 Au2 F10 N4 O2 -","2","1","","Egbert, Jonathan D.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Synthesis ofN-Heterocyclic Carbene Gold Complexes Using Solution-Phase and Solid-State Protocols","Organometallics","2013","32","7","2271","","10.1021/om301187a","","","0.71075","MoKα","","","0.0586","","","","0.2495","","","","","","1.203","","","","has coordinates","178692","2020-10-21","18:00:00",""
"4080400","12.8526","0.0005","15.6573","0.0005","18.0649","0.0007","89.884","0.002","83.36","0.002","82.805","0.002","3582.2","0.2","135","","135","","","","","","","","","7","P -1","-P 1","2","","","","- C116 H170 Co2 N10 O2 P6 Zr2 -","- C116 H170 Co2 N10 O2 P6 Zr2 -","- C116 H170 Co2 N10 O2 P6 Zr2 -","1","0.5","","Zhou, Wen; Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.","Catalytic Hydrosilylation of Ketones Using a Co/Zr Heterobimetallic Complex: Evidence for an Unusual Mechanism Involving Ketyl Radicals","Organometallics","2013","32","6","1766","","10.1021/om301194g","","","0.71073","MoKα","","0.0652","0.0433","","0.1273","0.117","0.1273","","","","","","0.9823","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080401","9.5099","0.0006","32.01","0.003","7.6128","0.0006","90","","90","","90","","2317.4","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H38 B P -","- C28 H38 B P -","- C112 H152 B4 P4 -","4","1","","Doherty, Simon; Knight, Julian G.; Ward, Nicholas A. B.; Bittner, Dror M.; Wills, Corinne; McFarlane, William; Clegg, William; Harrington, Ross W.","Electron-Rich Trialkyl-Type Dihydro-KITPHOS Monophosphines: Efficient Ligands for Palladium-Catalyzed Suzuki‒Miyaura Cross-Coupling. Comparison with Their Biaryl-Like KITPHOS Monophosphine Counterparts","Organometallics","2013","32","6","1773","","10.1021/om3011992","","","0.71073","MoKα","","0.0663","0.055","","","0.1108","0.1168","","","","","","1.099","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080402","10.0924","0.0018","16.907","0.003","20.136","0.004","88.004","0.002","89.567","0.002","87.631","0.002","3430.8","1.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H45 Cl N P Pd -","- C40 H45 Cl N P Pd -","- C160 H180 Cl4 N4 P4 Pd4 -","4","2","","Doherty, Simon; Knight, Julian G.; Ward, Nicholas A. B.; Bittner, Dror M.; Wills, Corinne; McFarlane, William; Clegg, William; Harrington, Ross W.","Electron-Rich Trialkyl-Type Dihydro-KITPHOS Monophosphines: Efficient Ligands for Palladium-Catalyzed Suzuki‒Miyaura Cross-Coupling. Comparison with Their Biaryl-Like KITPHOS Monophosphine Counterparts","Organometallics","2013","32","6","1773","","10.1021/om3011992","","","0.6889","synchrotron","","0.0748","0.0522","","","0.1284","0.1384","","","","","","1.03","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080403","23.1852","0.0003","11.002","0.0001","33.2598","0.0004","90","","102.014","0.001","90","","8298.2","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H51.5 Cl2 N P Pd -","- C48 H51.5 Cl2 N P Pd -","- C384 H412 Cl16 N8 P8 Pd8 -","8","2","","Doherty, Simon; Knight, Julian G.; Ward, Nicholas A. B.; Bittner, Dror M.; Wills, Corinne; McFarlane, William; Clegg, William; Harrington, Ross W.","Electron-Rich Trialkyl-Type Dihydro-KITPHOS Monophosphines: Efficient Ligands for Palladium-Catalyzed Suzuki‒Miyaura Cross-Coupling. Comparison with Their Biaryl-Like KITPHOS Monophosphine Counterparts","Organometallics","2013","32","6","1773","","10.1021/om3011992","","","1.54178","CuKα","","0.0412","0.0333","","","0.0834","0.0889","","","","","","1.023","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080404","10.2056","0.0002","58.596","0.0014","28.6094","0.0006","90","","90.452","0.002","90","","17108.1","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 Cl3 N P Pd -","- C47.75 H50.5 Cl2.5 N P Pd -","- C764 H808 Cl40 N16 P16 Pd16 -","16","4","","Doherty, Simon; Knight, Julian G.; Ward, Nicholas A. B.; Bittner, Dror M.; Wills, Corinne; McFarlane, William; Clegg, William; Harrington, Ross W.","Electron-Rich Trialkyl-Type Dihydro-KITPHOS Monophosphines: Efficient Ligands for Palladium-Catalyzed Suzuki‒Miyaura Cross-Coupling. Comparison with Their Biaryl-Like KITPHOS Monophosphine Counterparts","Organometallics","2013","32","6","1773","","10.1021/om3011992","","","0.71073","MoKα","","0.093","0.0622","","","0.1254","0.1373","","","","","","1.029","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080405","19.6707","0.0005","16.816","0.0004","20.0484","0.0005","90","","90.906","0.002","90","","6630.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 Cl N P Pd -","- C37 H45 Cl N P Pd -","- C296 H360 Cl8 N8 P8 Pd8 -","8","2","","Doherty, Simon; Knight, Julian G.; Ward, Nicholas A. B.; Bittner, Dror M.; Wills, Corinne; McFarlane, William; Clegg, William; Harrington, Ross W.","Electron-Rich Trialkyl-Type Dihydro-KITPHOS Monophosphines: Efficient Ligands for Palladium-Catalyzed Suzuki‒Miyaura Cross-Coupling. Comparison with Their Biaryl-Like KITPHOS Monophosphine Counterparts","Organometallics","2013","32","6","1773","","10.1021/om3011992","","","0.71073","MoKα","","0.0857","0.0459","","","0.0816","0.0978","","","","","","1.037","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080406","20.431","0.008","14.075","0.006","20.975","0.009","90","","91.185","0.007","90","","6030","4","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H80 Al4 Cl2 Cr N4 O2 -","- C48 H72 Al4 Cl2 Cr N4 O2 -","- C192 H288 Al16 Cl8 Cr4 N16 O8 -","4","0.5","","Shuster, Vladimir; Gambarotta, Sandro; Nikiforov, Grigory B.; Budzelaar, Peter H. M.","Heterometallic Aluminum‒Chromium Phenazine and Thiophenazine Complexes. Formation of a Tetranuclear Chromium(I) Sandwich Complex","Organometallics","2013","32","8","2329","","10.1021/om3012097","","","0.71073","MoKα","","0.0919","0.0692","","","0.1842","0.1972","","","","","","1.052","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080407","9.3503","0.0013","9.9256","0.0014","10.0618","0.0014","106.479","0.002","95.036","0.002","107.048","0.002","841.1","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H36 Al2 Cl2 Cr N2 S2 -","- C32 H36 Al2 Cl2 Cr N2 S2 -","- C32 H36 Al2 Cl2 Cr N2 S2 -","1","0.5","","Shuster, Vladimir; Gambarotta, Sandro; Nikiforov, Grigory B.; Budzelaar, Peter H. M.","Heterometallic Aluminum‒Chromium Phenazine and Thiophenazine Complexes. Formation of a Tetranuclear Chromium(I) Sandwich Complex","Organometallics","2013","32","8","2329","","10.1021/om3012097","","","0.71073","MoKα","","0.0466","0.0422","","","0.1373","0.1426","","","","","","1.028","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080408","7.109","0.005","10.03","0.006","13.068","0.008","71.206","0.01","86.81","0.01","70.68","0.009","831.1","0.9","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H44 Al2 Cr2 N4 -","- C39 H44 Al2 Cr2 N4 -","- C39 H44 Al2 Cr2 N4 -","1","0.5","","Shuster, Vladimir; Gambarotta, Sandro; Nikiforov, Grigory B.; Budzelaar, Peter H. M.","Heterometallic Aluminum‒Chromium Phenazine and Thiophenazine Complexes. Formation of a Tetranuclear Chromium(I) Sandwich Complex","Organometallics","2013","32","8","2329","","10.1021/om3012097","","","0.71073","MoKα","","0.1557","0.0759","","","0.1233","0.1413","","","","","","1.101","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080409","10.272","0.003","11.348","0.004","11.912","0.004","104.347","0.004","102.76","0.005","109.161","0.004","1199.4","0.7","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H72 Cl2 Li4 N2 O8 -","- C44 H72 Cl2 Li4 N2 O8 -","- C44 H72 Cl2 Li4 N2 O8 -","1","0.5","","Shuster, Vladimir; Gambarotta, Sandro; Nikiforov, Grigory B.; Budzelaar, Peter H. M.","Heterometallic Aluminum‒Chromium Phenazine and Thiophenazine Complexes. Formation of a Tetranuclear Chromium(I) Sandwich Complex","Organometallics","2013","32","8","2329","","10.1021/om3012097","","","0.71073","MoKα","","0.11","0.0548","","","0.1347","0.1643","","","","","","1.025","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080410","7.2856","0.0001","13.551","0.0002","8.3838","0.0002","90","","109.241","0.001","90","","781.47","0.02","153","2","153","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C18 H20 Fe O2 -","- C18 H20 Fe O2 -","- C36 H40 Fe2 O4 -","2","0.5","","Kalman, Steven E.; Petit, Alban; Gunnoe, T. Brent; Ess, Daniel H.; Cundari, Thomas R.; Sabat, Michal","Facile and Regioselective C‒H Bond Activation of Aromatic Substrates by an Fe(II) Complex Involving a Spin-Forbidden Pathway","Organometallics","2013","32","6","1797","","10.1021/om301219t","","","0.71073","MoKα","","0.0312","0.0287","","","0.1071","0.1108","","","","","","0.979","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080411","8.2307","0.0001","8.4998","0.0002","13.3303","0.0002","73.158","0.001","84.287","0.001","72.891","0.001","852.97","0.03","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N O -","- C19 H23 Fe N O -","- C38 H46 Fe2 N2 O2 -","2","1","","Kalman, Steven E.; Petit, Alban; Gunnoe, T. Brent; Ess, Daniel H.; Cundari, Thomas R.; Sabat, Michal","Facile and Regioselective C‒H Bond Activation of Aromatic Substrates by an Fe(II) Complex Involving a Spin-Forbidden Pathway","Organometallics","2013","32","6","1797","","10.1021/om301219t","","","0.71073","MoKα","","0.0344","0.0294","","","0.0861","0.0928","","","","","","0.937","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080412","8.8473","0.0003","20.0739","0.0006","15.3712","0.0004","90","","100.537","0.001","90","","2683.89","0.14","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Fe O2 P -","- C33 H33 Fe O2 P -","- C132 H132 Fe4 O8 P4 -","4","1","","Kalman, Steven E.; Petit, Alban; Gunnoe, T. Brent; Ess, Daniel H.; Cundari, Thomas R.; Sabat, Michal","Facile and Regioselective C‒H Bond Activation of Aromatic Substrates by an Fe(II) Complex Involving a Spin-Forbidden Pathway","Organometallics","2013","32","6","1797","","10.1021/om301219t","","","0.71073","MoKα","","0.0482","0.0352","","","0.1115","0.1258","","","","","","0.968","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080413","14.3254","0.0011","15.6412","0.0015","16.3321","0.0014","113.031","0.003","95.462","0.003","94.456","0.003","3326","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H77 Au2 Cl6 Hg N9 -","- C66 H77 Au2 Cl6 Hg N9 -","- C132 H154 Au4 Cl12 Hg2 N18 -","2","1","","Herbst, Annika; Bronner, Catherine; Dechambenoit, Pierre; Wenger, Oliver S.","Gold Complexes with Tridentate Cyclometalating and NHC Ligands: A Search for New Photoluminescent Gold(III) Compounds","Organometallics","2013","32","6","1807","","10.1021/om301226b","","","0.71073","MoKα","","0.1023","0.0536","","","0.1356","0.1654","","","","","","1.043","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080414","28.3108","0.0013","28.3108","0.0013","8.6035","0.0005","90","","90","","90","","6895.7","0.6","120","2","120","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C32 H37 Au2 Cl5 N4 -","- C32 H37 Au2 Cl5 N4 -","- C256 H296 Au16 Cl40 N32 -","8","1","","Herbst, Annika; Bronner, Catherine; Dechambenoit, Pierre; Wenger, Oliver S.","Gold Complexes with Tridentate Cyclometalating and NHC Ligands: A Search for New Photoluminescent Gold(III) Compounds","Organometallics","2013","32","6","1807","","10.1021/om301226b","","","0.71073","MoKα","","0.0801","0.0463","","","0.11","0.1379","","","","","","1.154","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080415","8.5265","0.0007","26.266","0.002","15.2847","0.0011","90","","111.294","0.005","90","","3189.4","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 Au2 Cl3 N4 -","- C32 H37 Au2 Cl3 N4 -","- C128 H148 Au8 Cl12 N16 -","4","1","","Herbst, Annika; Bronner, Catherine; Dechambenoit, Pierre; Wenger, Oliver S.","Gold Complexes with Tridentate Cyclometalating and NHC Ligands: A Search for New Photoluminescent Gold(III) Compounds","Organometallics","2013","32","6","1807","","10.1021/om301226b","","","0.71073","MoKα","","0.0417","0.0318","","","0.0783","0.0939","","","","","","1.315","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080416","7.7407","0.001","12.8819","0.0015","14.564","0.0018","82.449","0.005","83.851","0.006","81.713","0.005","1418.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H27 Au2 Br6 N5 -","- C19 H27 Au2 Br6 N5 -","- C38 H54 Au4 Br12 N10 -","2","1","","Herbst, Annika; Bronner, Catherine; Dechambenoit, Pierre; Wenger, Oliver S.","Gold Complexes with Tridentate Cyclometalating and NHC Ligands: A Search for New Photoluminescent Gold(III) Compounds","Organometallics","2013","32","6","1807","","10.1021/om301226b","","","0.71073","MoKα","","0.0707","0.0573","","","0.1724","0.1898","","","","","","1.064","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080417","13.2988","0.0003","13.2988","0.0003","45.8519","0.0013","90","","90","","120","","7022.8","0.3","100","2","100","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C38 H50 Au2 F12 N10 P2 -","- C38 H50 Au2 F12 N10 P2 -","- C228 H300 Au12 F72 N60 P12 -","6","0.5","","Herbst, Annika; Bronner, Catherine; Dechambenoit, Pierre; Wenger, Oliver S.","Gold Complexes with Tridentate Cyclometalating and NHC Ligands: A Search for New Photoluminescent Gold(III) Compounds","Organometallics","2013","32","6","1807","","10.1021/om301226b","","","0.71073","MoKα","","0.0522","0.0404","","","0.0745","0.0823","","","","","","1.058","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080418","12.259","0.004","14.301","0.004","15.77","0.006","63.634","0.012","74.49","0.015","67.662","0.008","2275","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H47 Au2 Cl2 I4 N5 O -","- C35 H47 Au2 Cl2 I4 N5 O -","- C70 H94 Au4 Cl4 I8 N10 O2 -","2","1","","Herbst, Annika; Bronner, Catherine; Dechambenoit, Pierre; Wenger, Oliver S.","Gold Complexes with Tridentate Cyclometalating and NHC Ligands: A Search for New Photoluminescent Gold(III) Compounds","Organometallics","2013","32","6","1807","","10.1021/om301226b","","","0.71073","MoKα","","0.0634","0.0427","","","0.1079","0.1231","","","","","","1.063","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080419","15.568","0.006","16.01","0.006","17.581","0.007","70.348","0.018","81.3","0.02","61.965","0.016","3642","3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H74 Au2 Hg2 I6 N10 -","- C62 H74 Au2 Hg2 I6 N10 -","- C124 H148 Au4 Hg4 I12 N20 -","2","1","","Herbst, Annika; Bronner, Catherine; Dechambenoit, Pierre; Wenger, Oliver S.","Gold Complexes with Tridentate Cyclometalating and NHC Ligands: A Search for New Photoluminescent Gold(III) Compounds","Organometallics","2013","32","6","1807","","10.1021/om301226b","","","0.71073","MoKα","","0.0696","0.0425","","","0.121","0.1361","","","","","","1.056","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080420","6.462","0.002","10.82","0.004","21.212","0.009","90","","90","","90","","1483.1","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 B P -","- C13 H24 B P -","- C52 H96 B4 P4 -","4","1","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","","0.71073","MoKα","","0.0504","0.0503","","","0.1172","0.1172","","","","","","1.225","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080421","7.584","0.004","6.423","0.009","16.502","0.011","90","","94.56","0.06","90","","801.3","1.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 B O P -","- C14 H26 B O P -","- C28 H52 B2 O2 P2 -","2","1","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","","0.71073","MoKα","","0.074","0.0453","","","0.1131","0.1241","","","","","","1.044","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080422","18.854","0.004","15.316","0.008","6.811","0.008","90","","90","","90","","1967","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 B O P -","- C19 H28 B O P -","- C76 H112 B4 O4 P4 -","4","1","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","","0.71073","MoKα","","0.0829","0.0465","","","0.105","0.1354","","","","","","0.929","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080423","6.2672","0.0012","12.117","0.002","22.568","0.005","90","","90","","90","","1713.8","0.6","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 B P -","- C19 H28 B P -","- C76 H112 B4 P4 -","4","1","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","x-ray","0.71073","MoKα","","0.0711","0.048","","","0.0957","0.1055","","","","","","1.046","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080424","6.7165","0.0005","34.852","0.003","12.2032","0.001","90","","91.191","0.004","90","","2856","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 Cl2 P Ru Si -","- C27 H43 Cl2 P Ru Si -","- C108 H172 Cl8 P4 Ru4 Si4 -","4","2","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","","0.71073","MoKα","","0.0743","0.0516","","","0.106","0.1183","","","","","","1.005","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080425","8.897","0.003","17.008","0.004","13.237","0.003","90","","90.32","0.02","90","","2003","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H31 Cl2 P Ru -","- C18 H31 Cl2 P Ru -","- C72 H124 Cl8 P4 Ru4 -","4","2","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","","0.71073","MoKα","","0.0453","0.0419","","","0.1289","0.1433","","","","","","1.113","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080426","14.752","0.005","14.752","0.005","19.599","0.006","90","","90","","120","","3694","2","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C21 H29 Cl6 P Ru -","- C21 H25 Cl6 P Ru -","- C126 H150 Cl36 P6 Ru6 -","6","1","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","","0.71073","MoKα","","0.0718","0.0615","","","0.2076","0.2135","","","","","","1.145","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080427","11.845","0.0004","11.845","0.0004","11.7329","0.0009","90","","90","","120","","1425.63","0.13","100","2","100","2","","","","","","","synthesis as described","5","P 31","P 31","144","","","","- C19 H25 Cl2 P Ru -","- C19 H25 Cl2 P Ru -","- C57 H75 Cl6 P3 Ru3 -","3","1","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","x-ray","0.7107","MoKα","","0.0389","0.0327","","","0.0634","0.0656","","","","","","1.031","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080428","13.2677","0.0005","12.4629","0.0004","14.2956","0.0005","90","","102.755","0.002","90","","2305.5","0.14","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 Cl4 P Ru Si -","- C18 H31 Cl4 P Ru Si -","- C72 H124 Cl16 P4 Ru4 Si4 -","4","1","","Aznar, Rosario; Grabulosa, Arnald; Mannu, Alberto; Muller, Guillermo; Sainz, Daniel; Moreno, Virtudes; Font-Bardia, Mercè; Calvet, Teresa; Lorenzo, Julia","[RuCl2(η6-p-cymene)(P*)] and [RuCl2(κ-P*-η6-arene)] Complexes ContainingP-Stereogenic Phosphines. Activity in Transfer Hydrogenation and Interactions with DNA","Organometallics","2013","32","8","2344","","10.1021/om3012294","","x-ray","0.7107","MoKα","","0.066","0.0444","","","0.0992","0.1101","","","","","","1.023","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080429","14.4983","0.0018","14.8867","0.0017","10.594","0.0014","90","","125.259","0.003","90","","1867.1","0.4","123","","123","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C38 H60 Fe2 N2 Si4 -","- C38 H60 Fe2 N2 Si4 -","- C76 H120 Fe4 N4 Si8 -","2","0.25","","Sunada, Yusuke; Imaoka, Tsuyoshi; Nagashima, Hideo","Disilametallacycles as a Platform for Stabilizing M(II) and M(IV) (M = Fe, Ru) Centers: Synthesis and Characterization of Half-Sandwich Complexes and Their Application to Catalytic Double Silylation of Alkenes and Alkynes","Organometallics","2013","32","7","2112","","10.1021/om3012322","","","0.71075","MoKα","","","0.0487","","","","0.1891","","","","","","1","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080430","11.947","0.004","19.428","0.006","16.674","0.005","90","","90","","90","","3870","2","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C19 H30 Fe Si2 -","- C19 H30 Fe Si2 -","- C152 H240 Fe8 Si16 -","8","1","","Sunada, Yusuke; Imaoka, Tsuyoshi; Nagashima, Hideo","Disilametallacycles as a Platform for Stabilizing M(II) and M(IV) (M = Fe, Ru) Centers: Synthesis and Characterization of Half-Sandwich Complexes and Their Application to Catalytic Double Silylation of Alkenes and Alkynes","Organometallics","2013","32","7","2112","","10.1021/om3012322","","","0.71075","MoKα","","","0.0545","","","","0.1843","","","","","","1.006","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080431","8.738","0.003","14.243","0.004","14.535","0.004","90","","95.733","0.006","90","","1799.9","0.9","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 O Ru Si2 -","- C17 H22 O Ru Si2 -","- C68 H88 O4 Ru4 Si8 -","4","1","","Sunada, Yusuke; Imaoka, Tsuyoshi; Nagashima, Hideo","Disilametallacycles as a Platform for Stabilizing M(II) and M(IV) (M = Fe, Ru) Centers: Synthesis and Characterization of Half-Sandwich Complexes and Their Application to Catalytic Double Silylation of Alkenes and Alkynes","Organometallics","2013","32","7","2112","","10.1021/om3012322","","","0.71075","MoKα","","","0.0424","","","","0.1515","","","","","","1.01","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080432","8.75","0.003","12.045","0.003","13.198","0.004","101.664","0.004","108.563","0.004","93.812","0.0013","1278.5","0.7","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H96 P2 Pd2 Si2 -","- C48 H96 P2 Pd2 Si2 -","- C48 H96 P2 Pd2 Si2 -","1","0.5","","Tanabe, Makoto; Takahashi, Atsushi; Yamada, Tetsuyuki; Osakada, Kohtaro","Dipalladium Complexes with Bridging Monoalkyl or Monophenyl Silyl Ligands in the Solid State and in Solution","Organometallics","2013","32","6","1815","","10.1021/om3012486","","","0.7107","MoKα","","0.0724","0.0603","","","0.1662","0.1798","","","","","","1.094","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080433","22.049","0.006","8.577","0.002","26.569","0.007","90","","109.673","0.003","90","","4731","2","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 P2 Pd2 Si2 -","- C48 H80 P2 Pd2 Si2 -","- C192 H320 P8 Pd8 Si8 -","4","1","","Tanabe, Makoto; Takahashi, Atsushi; Yamada, Tetsuyuki; Osakada, Kohtaro","Dipalladium Complexes with Bridging Monoalkyl or Monophenyl Silyl Ligands in the Solid State and in Solution","Organometallics","2013","32","6","1815","","10.1021/om3012486","","","0.7107","MoKα","","0.0673","0.0527","","","0.1155","0.1227","","","","","","1.034","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080434","11.969","0.004","22.797","0.006","18.311","0.006","90","","95.378","0.005","90","","4974","3","113","","113","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H78 Cl2 P2 Pd2 Si2 -","- C48 H78 Cl2 P2 Pd2 Si2 -","- C192 H312 Cl8 P8 Pd8 Si8 -","4","1","","Tanabe, Makoto; Takahashi, Atsushi; Yamada, Tetsuyuki; Osakada, Kohtaro","Dipalladium Complexes with Bridging Monoalkyl or Monophenyl Silyl Ligands in the Solid State and in Solution","Organometallics","2013","32","6","1815","","10.1021/om3012486","","","0.7107","MoKα","","0.1012","0.0729","","","0.1972","0.2268","","","","","","1.114","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080435","9.9577","0.0002","13.3639","0.0003","23.9913","0.0005","90","","101.474","0.001","90","","3128.81","0.12","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H19 Cl F2 N2 O8 Re2 -","- C31 H19 Cl F2 N2 O8 Re2 -","- C124 H76 Cl4 F8 N8 O32 Re8 -","4","1","","Zhao, Helen C.; Mello, Barbara; Fu, Bi-Li; Chowdhury, Hara; Szalda, David J.; Tsai, Ming-Kang; Grills, David C.; Rochford, Jonathan","Investigation of Monomeric versus Dimericfac-Rhenium(I) Tricarbonyl Systems Containing the Noninnocent 8-Oxyquinolate Ligand","Organometallics","2013","32","6","1832","","10.1021/om301250v","","","0.71073","MoKα","","0.0683","0.0376","","","0.0637","0.0714","","","","","","0.98","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080436","17.2393","0.001","9.0765","0.0004","20.7384","0.001","90","","110.476","0.002","90","","3040","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H24 N2 O8 Re2 -","- C31.5 H20 N2 O8 Re2 -","- C126 H80 N8 O32 Re8 -","4","1","","Zhao, Helen C.; Mello, Barbara; Fu, Bi-Li; Chowdhury, Hara; Szalda, David J.; Tsai, Ming-Kang; Grills, David C.; Rochford, Jonathan","Investigation of Monomeric versus Dimericfac-Rhenium(I) Tricarbonyl Systems Containing the Noninnocent 8-Oxyquinolate Ligand","Organometallics","2013","32","6","1832","","10.1021/om301250v","","","0.71073","MoKα","","0.0986","0.0501","","","0.0893","0.1024","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080437","12.9715","0.0003","11.7487","0.0003","11.2543","0.0003","90","","107.115","0.001","90","","1639.18","0.07","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N2 O4 Re -","- C16 H13 N2 O4 Re -","- C64 H52 N8 O16 Re4 -","4","1","","Zhao, Helen C.; Mello, Barbara; Fu, Bi-Li; Chowdhury, Hara; Szalda, David J.; Tsai, Ming-Kang; Grills, David C.; Rochford, Jonathan","Investigation of Monomeric versus Dimericfac-Rhenium(I) Tricarbonyl Systems Containing the Noninnocent 8-Oxyquinolate Ligand","Organometallics","2013","32","6","1832","","10.1021/om301250v","","","0.71073","MoKα","","0.043","0.0211","","","0.0354","0.0397","","","","","","1.016","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080438","17.1273","0.0007","20.6239","0.0009","8.1996","0.0003","90","","91.595","0.002","90","","2895.2","0.2","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H45 Cr O3 -","- C33 H45 Cr O3 -","- C132 H180 Cr4 O12 -","4","1","","Danopoulos, Andreas A.; Monakhov, Kirill Yu.; Robert, Vincent; Braunstein, Pierre; Pattacini, Roberto; Conde-Guadaño, Susana; Hanton, Martin; Tooze, Robert P.","Angular Distortions at Benzylic Carbons Due to Intramolecular Polarization-Induced Metal‒Arene Interactions: A Case Study with Open-Shell Chromium(II) NHC Complexes","Organometallics","2013","32","6","1842","","10.1021/om3012568","","","0.71073","MoKα","","0.1317","0.0779","","","0.1558","0.1818","","","","","","1.126","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080439","10.4254","0.0004","10.6281","0.0004","16.0874","0.0006","81.14","0.002","85.553","0.002","88.504","0.002","1755.77","0.12","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Cr N4 O -","- C36.0004 H54.0008 Cr N4 O1.0001 -","- C72.0008 H108.002 Cr2 N8 O2.0002 -","2","1","","Danopoulos, Andreas A.; Monakhov, Kirill Yu.; Robert, Vincent; Braunstein, Pierre; Pattacini, Roberto; Conde-Guadaño, Susana; Hanton, Martin; Tooze, Robert P.","Angular Distortions at Benzylic Carbons Due to Intramolecular Polarization-Induced Metal‒Arene Interactions: A Case Study with Open-Shell Chromium(II) NHC Complexes","Organometallics","2013","32","6","1842","","10.1021/om3012568","","","0.71073","MoKα","","0.0999","0.0746","","","0.1699","0.1878","","","","","","1.101","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080440","23.7036","0.0013","12.0562","0.0007","12.2266","0.0006","90","","90","","90","","3494.1","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C41 H50 Cr N2 -","- C41 H50 Cr N2 -","- C164 H200 Cr4 N8 -","4","1","","Danopoulos, Andreas A.; Monakhov, Kirill Yu.; Robert, Vincent; Braunstein, Pierre; Pattacini, Roberto; Conde-Guadaño, Susana; Hanton, Martin; Tooze, Robert P.","Angular Distortions at Benzylic Carbons Due to Intramolecular Polarization-Induced Metal‒Arene Interactions: A Case Study with Open-Shell Chromium(II) NHC Complexes","Organometallics","2013","32","6","1842","","10.1021/om3012568","","","0.71073","MoKα","","0.1367","0.0543","","","0.0914","0.1194","","","","","","0.998","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080441","13.639","0.003","16.21","0.003","19.728","0.004","90","","90","","90","","4361.6","1.5","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H28 Zr -","- C28 H28 Zr -","- C224 H224 Zr8 -","8","1","","Danopoulos, Andreas A.; Monakhov, Kirill Yu.; Robert, Vincent; Braunstein, Pierre; Pattacini, Roberto; Conde-Guadaño, Susana; Hanton, Martin; Tooze, Robert P.","Angular Distortions at Benzylic Carbons Due to Intramolecular Polarization-Induced Metal‒Arene Interactions: A Case Study with Open-Shell Chromium(II) NHC Complexes","Organometallics","2013","32","6","1842","","10.1021/om3012568","","","0.71073","MoKα","","0.0535","0.0407","","","0.0724","0.0784","","","","","","1.147","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080442","35.288","0.005","18.769","0.002","19.515","0.003","90","","118.318","0.002","90","","11378","3","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H41 F6 Fe P Ru -","- C28 H41 F6 Fe P Ru -","- C448 H656 F96 Fe16 P16 Ru16 -","16","2","","Ghag, Sonam K.; Tarlton, Michael L.; Henle, Ernst A.; Ochoa, Elizabeth M.; Watson, Alex W.; Zakharov, Lev N.; Watson, Eric J.","Synthesis and Structures of Triple-Decker Complexes with a Bridging Tetramethylcyclopentadienyl Ligand","Organometallics","2013","32","6","1851","","10.1021/om301258s","","","0.71073","MoKα","","0.0746","0.0557","","","0.1341","0.148","","","","","","1.06","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080443","9.2966","0.0009","26.022","0.003","10.0159","0.001","90","","102.323","0.002","90","","2367.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 F6 Fe P Ru -","- C23 H31 F6 Fe P Ru -","- C92 H124 F24 Fe4 P4 Ru4 -","4","1","","Ghag, Sonam K.; Tarlton, Michael L.; Henle, Ernst A.; Ochoa, Elizabeth M.; Watson, Alex W.; Zakharov, Lev N.; Watson, Eric J.","Synthesis and Structures of Triple-Decker Complexes with a Bridging Tetramethylcyclopentadienyl Ligand","Organometallics","2013","32","6","1851","","10.1021/om301258s","","","0.71073","MoKα","","0.049","0.0455","","","0.1382","0.1412","","","","","","1.069","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080444","8.8702","0.0016","9.0088","0.0016","15.678","0.003","90","","95.007","0.003","90","","1248","0.4","193","2","193","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C23 H30 F6 Fe Mn O3 P -","- C23 H30 F6 Fe Mn O3 P -","- C46 H60 F12 Fe2 Mn2 O6 P2 -","2","0.5","","Ghag, Sonam K.; Tarlton, Michael L.; Henle, Ernst A.; Ochoa, Elizabeth M.; Watson, Alex W.; Zakharov, Lev N.; Watson, Eric J.","Synthesis and Structures of Triple-Decker Complexes with a Bridging Tetramethylcyclopentadienyl Ligand","Organometallics","2013","32","6","1851","","10.1021/om301258s","","","0.71073","MoKα","","0.0578","0.0463","","","0.1248","0.1396","","","","","","1.065","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080445","18.633","0.002","9.1527","0.0011","16.88","0.002","90","","115.545","0.002","90","","2597.3","0.5","193","2","193","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H39 B F4 Fe2 -","- C27 H39 B F4 Fe2 -","- C108 H156 B4 F16 Fe8 -","4","1","","Ghag, Sonam K.; Tarlton, Michael L.; Henle, Ernst A.; Ochoa, Elizabeth M.; Watson, Alex W.; Zakharov, Lev N.; Watson, Eric J.","Synthesis and Structures of Triple-Decker Complexes with a Bridging Tetramethylcyclopentadienyl Ligand","Organometallics","2013","32","6","1851","","10.1021/om301258s","","","0.71073","MoKα","","0.028","0.0273","","","0.0712","0.0718","","","","","","1.065","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080446","11.6524","0.0017","9.6776","0.0014","29.871","0.005","90","","96.218","0.003","90","","3348.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 B Cl N9 Ru -","- C37 H39 B Cl N9 Ru -","- C148 H156 B4 Cl4 N36 Ru4 -","4","1","","Kumar, Mukesh; DePasquale, Joseph; White, Nicholas J.; Zeller, Matthias; Papish, Elizabeth T.","Ruthenium Complexes of Triazole-Based Scorpionate Ligands Transfer Hydrogen to Substrates under Base-Free Conditions","Organometallics","2013","32","7","2135","","10.1021/om301260j","","","0.71073","MoKα","","0.0363","0.0299","","","0.0703","0.0742","","","","","","1.058","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080447","9.8583","0.0011","23.482","0.003","16.793","0.002","90","","96.767","0.002","90","","3860.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C87 H86 B2 Cl2 N18 Ru2 -","- C87 H86 B2 Cl2 N18 Ru2 -","- C174 H172 B4 Cl4 N36 Ru4 -","2","0.5","","Kumar, Mukesh; DePasquale, Joseph; White, Nicholas J.; Zeller, Matthias; Papish, Elizabeth T.","Ruthenium Complexes of Triazole-Based Scorpionate Ligands Transfer Hydrogen to Substrates under Base-Free Conditions","Organometallics","2013","32","7","2135","","10.1021/om301260j","","","0.71073","MoKα","","0.0701","0.0489","","","0.0906","0.1033","","","","","","1.071","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080448","11.454","0.002","11.704","0.002","20.894","0.004","90","","90","","90","","2801","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 B Cl3 N9 Ru -","- C23 H35 B Cl3 N9 Ru -","- C92 H140 B4 Cl12 N36 Ru4 -","4","1","","Kumar, Mukesh; DePasquale, Joseph; White, Nicholas J.; Zeller, Matthias; Papish, Elizabeth T.","Ruthenium Complexes of Triazole-Based Scorpionate Ligands Transfer Hydrogen to Substrates under Base-Free Conditions","Organometallics","2013","32","7","2135","","10.1021/om301260j","","","0.71073","MoKα","","0.0272","0.0253","","","0.0549","0.0569","","","","","","1.072","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080449","22.425","0.003","13.1236","0.0015","20.074","0.002","90","","90","","90","","5907.7","1.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C24.5 H40 B Cl2 N9 O Ru -","- C24.5 H40 B Cl2 N9 O Ru -","- C196 H320 B8 Cl16 N72 O8 Ru8 -","8","2","","Kumar, Mukesh; DePasquale, Joseph; White, Nicholas J.; Zeller, Matthias; Papish, Elizabeth T.","Ruthenium Complexes of Triazole-Based Scorpionate Ligands Transfer Hydrogen to Substrates under Base-Free Conditions","Organometallics","2013","32","7","2135","","10.1021/om301260j","","","0.71073","MoKα","","0.0203","0.019","","","0.0482","0.0494","","","","","","1.043","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080450","8.9055","0.0009","12.3841","0.0012","14.9984","0.0015","90","","90","","90","","1654.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 B Cl N6 Ru -","- C14 H20 B Cl N6 Ru -","- C56 H80 B4 Cl4 N24 Ru4 -","4","1","","Kumar, Mukesh; DePasquale, Joseph; White, Nicholas J.; Zeller, Matthias; Papish, Elizabeth T.","Ruthenium Complexes of Triazole-Based Scorpionate Ligands Transfer Hydrogen to Substrates under Base-Free Conditions","Organometallics","2013","32","7","2135","","10.1021/om301260j","","","0.71073","MoKα","","0.0199","0.0187","","","0.044","0.0445","","","","","","1.068","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080451","14.5034","0.0009","10.1858","0.0006","15.4427","0.001","90","","103.835","0.003","90","","2215.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","kea016","kea016","","- C23 H30 Ir N2 O4 -","- C23 H30 Ir N2 O4 -","- C92 H120 Ir4 N8 O16 -","4","1","","Allen, Kate E.; Heinekey, D. Michael; Goldman, Alan S.; Goldberg, Karen I.","Alkane Dehydrogenation by C‒H Activation at Iridium(III)","Organometallics","2013","32","6","1579","","10.1021/om301267c","","","0.71073","MoKα","","0.0288","0.0188","","","0.0363","0.0394","","","","","","1.048","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080452","18.9251","0.0008","21.655","0.0011","9.3611","0.0005","90","","101.448","0.002","90","","3760.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H61 N5 Ti -","- C38 H61 N5 Ti -","- C152 H244 N20 Ti4 -","4","1","","Chong, Eugene; Qayyum, Sadaf; Schafer, Laurel L.; Kempe, Rhett","2-Aminopyridinate Titanium Complexes for the Catalytic Hydroamination of Primary Aminoalkenes","Organometallics","2013","32","6","1858","","10.1021/om3012695","","","0.71073","MoKα","","0.074","0.0532","","","0.1208","0.1291","","","","","","1.084","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080453","10.7276","0.0002","8.5789","0.0002","16.3989","0.0004","90","","107.04","0.001","90","","1442.95","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H43 N5 Ti -","- C29 H43 N5 Ti -","- C58 H86 N10 Ti2 -","2","1","","Chong, Eugene; Qayyum, Sadaf; Schafer, Laurel L.; Kempe, Rhett","2-Aminopyridinate Titanium Complexes for the Catalytic Hydroamination of Primary Aminoalkenes","Organometallics","2013","32","6","1858","","10.1021/om3012695","","","0.71073","MoKα","","0.0556","0.0417","","","0.0829","0.0879","","","","","","1.004","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080454","15.386","0.002","10.9913","0.0014","18.668","0.002","90","","91.647","0.008","90","","3155.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 N5 Ti -","- C31 H47 N5 Ti -","- C124 H188 N20 Ti4 -","4","1","","Chong, Eugene; Qayyum, Sadaf; Schafer, Laurel L.; Kempe, Rhett","2-Aminopyridinate Titanium Complexes for the Catalytic Hydroamination of Primary Aminoalkenes","Organometallics","2013","32","6","1858","","10.1021/om3012695","","","0.71073","MoKα","","0.1662","0.0902","","","0.2248","0.2825","","","","","","1.068","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080455","9.9392","0.0004","13.2438","0.0006","28.9141","0.0012","90","","96.245","0.002","90","","3783.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H49 N5 Ti -","- C44 H49 N5 Ti -","- C176 H196 N20 Ti4 -","4","1","","Chong, Eugene; Qayyum, Sadaf; Schafer, Laurel L.; Kempe, Rhett","2-Aminopyridinate Titanium Complexes for the Catalytic Hydroamination of Primary Aminoalkenes","Organometallics","2013","32","6","1858","","10.1021/om3012695","","","0.71073","MoKα","","0.0549","0.0373","","","0.0861","0.094","","","","","","1.013","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080456","12.8437","0.0008","20.5174","0.0013","21.695","0.0014","90","","94.138","0.001","90","","5702.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H92 Si4 Zr4 -","- C48 H92 Si4 Zr4 -","- C192 H368 Si16 Zr16 -","4","1","","Hu, Shaowei; Shima, Takanori; Luo, Yi; Hou, Zhaomin","Tetranuclear Zirconium and Hafnium Polyhydride Complexes Composed of the “CpMH2” Units","Organometallics","2013","32","7","2145","","10.1021/om400012a","","","0.71073","MoKα","","0.0518","0.0392","","","0.1137","0.1197","","","","","","1.04","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080457","16.2485","0.0014","16.2485","0.0014","12.1427","0.0015","90","","90","","90","","3205.8","0.6","173","2","173","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C48 H92 Si4 Zr4 -","- C48 H92 Si4 Zr4 -","- C96 H184 Si8 Zr8 -","2","0.25","","Hu, Shaowei; Shima, Takanori; Luo, Yi; Hou, Zhaomin","Tetranuclear Zirconium and Hafnium Polyhydride Complexes Composed of the “CpMH2” Units","Organometallics","2013","32","7","2145","","10.1021/om400012a","","","0.71073","MoKα","","0.025","0.0232","","","0.066","0.0664","","","","","","1.064","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080458","22.629","0.002","12.1038","0.0012","23.781","0.002","90","","110.554","0.002","90","","6098.9","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H92 Hf4 Si4 -","- C48 H92 Hf4 Si4 -","- C192 H368 Hf16 Si16 -","4","0.5","","Hu, Shaowei; Shima, Takanori; Luo, Yi; Hou, Zhaomin","Tetranuclear Zirconium and Hafnium Polyhydride Complexes Composed of the “CpMH2” Units","Organometallics","2013","32","7","2145","","10.1021/om400012a","","","0.71073","MoKα","","0.0255","0.0214","","","0.0458","0.0464","","","","","","0.982","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080459","11.3569","0.0017","11.446","0.0017","18.867","0.003","82.332","0.002","81.631","0.002","65.028","0.002","2192.5","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H68 Zr4 -","- C40 H68 Zr4 -","- C80 H136 Zr8 -","2","1","","Hu, Shaowei; Shima, Takanori; Luo, Yi; Hou, Zhaomin","Tetranuclear Zirconium and Hafnium Polyhydride Complexes Composed of the “CpMH2” Units","Organometallics","2013","32","7","2145","","10.1021/om400012a","","","0.71073","MoKα","","0.1032","0.0814","","","0.2075","0.2169","","","","","","0.965","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080460","23.09","0.005","12.098","0.003","24.031","0.005","90","","110.088","0.004","90","","6305","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H92 Se Si4 Zr4 -","- C48 H90 Se Si4 Zr4 -","- C192 H360 Se4 Si16 Zr16 -","4","0.5","","Hu, Shaowei; Shima, Takanori; Luo, Yi; Hou, Zhaomin","Tetranuclear Zirconium and Hafnium Polyhydride Complexes Composed of the “CpMH2” Units","Organometallics","2013","32","7","2145","","10.1021/om400012a","","","0.71073","MoKα","","0.061","0.0343","","","0.0573","0.0597","","","","","","1.201","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080461","33.649","0.007","8.6216","0.0017","21.952","0.004","90","","117.83","0.03","90","","5632","2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H36 N6 O5 Pd -","- C27 H36 N6 O5 Pd -","- C216 H288 N48 O40 Pd8 -","8","1","","Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.","Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes","Organometallics","2013","32","6","1913","","10.1021/om4000133","","","0.71073","MoKα","","0.0309","0.0258","","","0.0566","0.0593","","","","","","1.077","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080462","17.4653","0.0002","19.2011","0.0003","15.9269","0.0003","90","","102.002","0.001","90","","5224.38","0.14","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N7 O3 Pd -","- C27 H31 N7 O3 Pd -","- C216 H248 N56 O24 Pd8 -","8","2","","Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.","Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes","Organometallics","2013","32","6","1913","","10.1021/om4000133","","","0.71073","MoKα","","0.0698","0.037","","","0.0774","0.0903","","","","","","1.02","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080463","11.605","0.002","12.36","0.003","13.096","0.003","68.14","0.03","74.72","0.03","83.59","0.03","1681.6","0.8","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 Cl2 N6 O3 Pd -","- C35 H32 Cl2 N6 O3 Pd -","- C70 H64 Cl4 N12 O6 Pd2 -","2","1","","Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.","Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes","Organometallics","2013","32","6","1913","","10.1021/om4000133","","","0.71073","MoKα","","0.0475","0.0373","","","0.0929","0.1003","","","","","","1.051","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080464","11.3453","0.0016","11.3453","0.0016","27.492","0.006","90","","90","","90","","3538.7","1","173","","173","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C37 H40 N12 Ni2 O5 -","- C37 H40 N12 Ni2 O5 -","- C148 H160 N48 Ni8 O20 -","4","0.5","","Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.","Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes","Organometallics","2013","32","6","1913","","10.1021/om4000133","","","0.71073","MoKα","","0.0324","0.0296","","","0.0723","0.0738","","","","","","1.083","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080465","25.029","0.003","25.029","0.003","25.029","0.003","90","","90","","90","","15679","3","173","","173","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C28 H22 N6 Ni O2 -","- C28 H22 N6 Ni O2 -","- C672 H528 N144 Ni24 O48 -","24","1","","Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.","Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes","Organometallics","2013","32","6","1913","","10.1021/om4000133","","","0.71073","MoKα","","0.0554","0.0382","","","0.0963","0.1047","","","","","","1.086","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080466","11.029","0.002","9.3359","0.0019","16.855","0.003","90","","100.81","0.03","90","","1704.7","0.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N6 O2 Pd -","- C18 H18 N6 O2 Pd -","- C72 H72 N24 O8 Pd4 -","4","1","","Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.","Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes","Organometallics","2013","32","6","1913","","10.1021/om4000133","","","0.71073","MoKα","","0.0341","0.0287","","","0.0672","0.0708","","","","","","1.048","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080467","8.448","0.0017","13.267","0.003","15.181","0.003","90","","92","0.03","90","","1700.4","0.6","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N6 O2 Pd -","- C18 H18 N6 O2 Pd -","- C72 H72 N24 O8 Pd4 -","4","1","","Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.","Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes","Organometallics","2013","32","6","1913","","10.1021/om4000133","","","0.71073","MoKα","","0.03","0.0239","","","0.0525","0.0555","","","","","","1.028","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080468","25.205","0.003","25.205","0.003","25.205","0.003","90","","90","","90","","16013","3","173.2","0.1","173","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C29 H26 N6 O3 Pd -","- C29 H26 N6 O3 Pd -","- C696 H624 N144 O72 Pd24 -","24","1","","Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.","Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes","Organometallics","2013","32","6","1913","","10.1021/om4000133","","","0.71073","MoKα","","0.0343","0.0256","","","0.0593","0.0627","","","","","","1.086","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080469","20.648","0.004","19.386","0.004","14.289","0.003","90","","112.84","0.03","90","","5271","2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29.5 H27.5 N6 O3.25 Pd -","- C29.5 H27.5 N6 O3.25 Pd -","- C236 H220 N48 O26 Pd8 -","8","1","","Tan, Kel Vin; Dutton, Jason L.; Skelton, Brian W.; Wilson, David J. D.; Barnard, Peter J.","Nickel(II) and Palladium(II) Complexes with Chelating N-Heterocyclic Carbene Amidate Ligands: Interplay between Normal and Abnormal Coordination Modes","Organometallics","2013","32","6","1913","","10.1021/om4000133","","","0.71073","MoKα","","0.0565","0.0381","","","0.0849","0.0934","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080470","16.7558","0.001","12.3342","0.0007","25.7292","0.0012","90","","95.714","0.002","90","","5291","0.5","100","2","100","2","","","","","","","synthesis as described","6","P 1 2/c 1","-P 2yc","13","","","","- C102 H108 Cl10 F12 Fe2 P6 -","- C102 H108 Cl10 F12 Fe2 P6 -","- C204 H216 Cl20 F24 Fe4 P12 -","2","0.5","","Burgun, Alexandre; Gendron, Frédéric; Roisnel, Thierry; Sinbandhit, Sourisak; Costuas, Karine; Halet, Jean-François; Bruce, Michael I.; Lapinte, Claude","Oxidative Activation of Aryldiynyl‒Iron Complexes: Regioselective Dimerization","Organometallics","2013","32","6","1866","","10.1021/om400014g","","x-ray","0.71073","MoKα","","0.112","0.0867","","","0.2057","0.2237","","","","","","1.034","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080471","11.496","0.0018","11.926","0.0001","24.074","0.006","92.88","0.02","92.4","0.001","114.335","0.01","2996.4","0.9","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H87 Cl N6 Si4 Y2 -","- C52 H87 Cl N6 Si4 Y2 -","- C104 H174 Cl2 N12 Si8 Y4 -","2","1","","Sun, Song; Sun, Qiu; Zhao, Bei; Zhang, Yong; Shen, Qi; Yao, Yingming","Unexpected C‒H Bond Activation Promoted by Bimetallic Lanthanide Amido Complexes Bearing a META-Phenylene-Bridged Bis(β-diketiminate) Ligand","Organometallics","2013","32","6","1876","","10.1021/om400018b","","","0.71075","MoKα","","0.1073","0.0636","","","0.1396","0.1827","","","","","","1.11","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080472","11.4491","0.001","11.927","0.0011","24.1294","0.0019","92.904","0.002","92.422","0.002","114.028","0.002","2998.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H87 Cl N6 Si4 Yb2 -","- C52 H87 Cl N6 Si4 Yb2 -","- C104 H174 Cl2 N12 Si8 Yb4 -","2","1","","Sun, Song; Sun, Qiu; Zhao, Bei; Zhang, Yong; Shen, Qi; Yao, Yingming","Unexpected C‒H Bond Activation Promoted by Bimetallic Lanthanide Amido Complexes Bearing a META-Phenylene-Bridged Bis(β-diketiminate) Ligand","Organometallics","2013","32","6","1876","","10.1021/om400018b","","","0.7107","MoKα","","0.0646","0.0524","","","0.1207","0.1315","","","","","","1.097","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080473","11.559","0.0017","18.425","0.003","19.218","0.003","99.743","0.003","96.697","0.003","106.962","0.003","3798.1","1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H114 Cl N7 O Si6 Y2 -","- C62 H114 Cl N7 O Si6 Y2 -","- C124 H228 Cl2 N14 O2 Si12 Y4 -","2","1","","Sun, Song; Sun, Qiu; Zhao, Bei; Zhang, Yong; Shen, Qi; Yao, Yingming","Unexpected C‒H Bond Activation Promoted by Bimetallic Lanthanide Amido Complexes Bearing a META-Phenylene-Bridged Bis(β-diketiminate) Ligand","Organometallics","2013","32","6","1876","","10.1021/om400018b","","","0.71075","MoKα","","0.1063","0.073","","","0.1414","0.1567","","","","","","1.093","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080474","11.505","0.005","18.382","0.008","19.229","0.008","99.74","0.01","96.401","0.007","106.71","0.009","3783","3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H114 Cl N7 O Si6 Yb2 -","- C62 H114 Cl N7 O Si6 Yb2 -","- C124 H228 Cl2 N14 O2 Si12 Yb4 -","2","1","","Sun, Song; Sun, Qiu; Zhao, Bei; Zhang, Yong; Shen, Qi; Yao, Yingming","Unexpected C‒H Bond Activation Promoted by Bimetallic Lanthanide Amido Complexes Bearing a META-Phenylene-Bridged Bis(β-diketiminate) Ligand","Organometallics","2013","32","6","1876","","10.1021/om400018b","","","0.71075","MoKα","","0.1509","0.1014","","","0.2296","0.2645","","","","","","1.027","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080475","13.817","0.0004","11.4064","0.0004","12.304","0.0004","90","","108.468","0.004","90","","1839.27","0.11","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 I N3 O Pd -","- C16 H28 I N3 O Pd -","- C64 H112 I4 N12 O4 Pd4 -","4","1","","Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Synthesis and Reactivity of Ortho-Palladated 3-Phenylpropanamides. Insertion of CO, XyNC, and Alkynes into the Pd‒C Bond. Synthesis of Seven- and Nine-Membered Palladacycles and Benzazepine- and Benzazonine-Based Heterocycles","Organometallics","2013","32","6","1892","","10.1021/om4000192","","","0.71073","MoKα","","0.0221","0.0195","","","0.0433","0.0445","","","","","","1.083","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080476","11.9985","0.0003","8.51","0.0002","15.4033","0.0004","90","","102.645","0.003","90","","1534.64","0.07","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H25 N3 O Pd -","- C15 H25 N3 O Pd -","- C60 H100 N12 O4 Pd4 -","4","1","","Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Synthesis and Reactivity of Ortho-Palladated 3-Phenylpropanamides. Insertion of CO, XyNC, and Alkynes into the Pd‒C Bond. Synthesis of Seven- and Nine-Membered Palladacycles and Benzazepine- and Benzazonine-Based Heterocycles","Organometallics","2013","32","6","1892","","10.1021/om4000192","","","0.71073","MoKα","","0.0239","0.0192","","","0.0412","0.0428","","","","","","1.066","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080477","9.4029","0.0002","15.6438","0.0004","20.8748","0.0005","90","","91.508","0.002","90","","3069.56","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H18 N2 O -","- C18 H18 N2 O -","- C144 H144 N16 O8 -","8","4","","Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Synthesis and Reactivity of Ortho-Palladated 3-Phenylpropanamides. Insertion of CO, XyNC, and Alkynes into the Pd‒C Bond. Synthesis of Seven- and Nine-Membered Palladacycles and Benzazepine- and Benzazonine-Based Heterocycles","Organometallics","2013","32","6","1892","","10.1021/om4000192","","","0.71073","MoKα","","0.0669","0.0459","","","0.0813","0.0903","","","","","","1.033","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080478","25.0366","0.0005","9.8044","0.0002","25.8625","0.0005","90","","97.947","0.002","90","","6287.5","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 F3 N3 O4 Pd S -","- C30 H36 F3 N3 O4 Pd S -","- C240 H288 F24 N24 O32 Pd8 S8 -","8","1","","Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Synthesis and Reactivity of Ortho-Palladated 3-Phenylpropanamides. Insertion of CO, XyNC, and Alkynes into the Pd‒C Bond. Synthesis of Seven- and Nine-Membered Palladacycles and Benzazepine- and Benzazonine-Based Heterocycles","Organometallics","2013","32","6","1892","","10.1021/om4000192","","","0.71073","MoKα","","0.025","0.022","","","0.0521","0.0536","","","","","","1.097","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080479","10.4168","0.0003","12.4158","0.0004","14.5218","0.0004","112.399","0.004","96.1","0.003","94.524","0.003","1712","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H48 Cl2 F3 N3 O4 Pd S -","- C29 H48 Cl2 F3 N3 O4 Pd S -","- C58 H96 Cl4 F6 N6 O8 Pd2 S2 -","2","1","","Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Synthesis and Reactivity of Ortho-Palladated 3-Phenylpropanamides. Insertion of CO, XyNC, and Alkynes into the Pd‒C Bond. Synthesis of Seven- and Nine-Membered Palladacycles and Benzazepine- and Benzazonine-Based Heterocycles","Organometallics","2013","32","6","1892","","10.1021/om4000192","","","0.71073","MoKα","","0.0288","0.0236","","","0.0526","0.0555","","","","","","1.057","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080480","36.899","0.002","7.9959","0.0005","12.4947","0.0008","90","","104.559","0.007","90","","3568.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C192 H152 N8 O16 -","8","1","","Frutos-Pedreño, Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Synthesis and Reactivity of Ortho-Palladated 3-Phenylpropanamides. Insertion of CO, XyNC, and Alkynes into the Pd‒C Bond. Synthesis of Seven- and Nine-Membered Palladacycles and Benzazepine- and Benzazonine-Based Heterocycles","Organometallics","2013","32","6","1892","","10.1021/om4000192","","","1.54184","CuKα","","0.036","0.0341","","","0.0844","0.0861","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080481","18.8812","0.0004","13.8509","0.0003","19.7703","0.0004","90","","90","","90","","5170.36","0.19","100","2","100.02","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H24 N2 Si -","- C32 H24 N2 Si -","- C256 H192 N16 Si8 -","8","1","","Carroll, James B.; Braddock-Wilking, Janet","Synthesis of 2,5-Substituted Siloles and Optical Study of Interactions with Mercury(II), Copper(II), and Nickel(II) Cations","Organometallics","2013","32","6","1905","","10.1021/om400022f","","","0.71073","MoKα","","0.0548","0.0413","","","0.1081","0.121","","","","","","1.034","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080482","27.5566","0.0019","14.5109","0.0009","9.9159","0.0006","90","","90","","90","","3965.1","0.4","100","2","100.02","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C37 H40 Cl6 S4 Si -","- C37 H40 Cl6 S4 Si -","- C148 H160 Cl24 S16 Si4 -","4","0.5","","Carroll, James B.; Braddock-Wilking, Janet","Synthesis of 2,5-Substituted Siloles and Optical Study of Interactions with Mercury(II), Copper(II), and Nickel(II) Cations","Organometallics","2013","32","6","1905","","10.1021/om400022f","","","0.71073","MoKα","","0.0839","0.0606","","","0.1428","0.1561","","","","","","1.061","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080483","13.4775","0.0019","23.346","0.003","17.54","0.003","90","","99.228","0.003","90","","5447.5","1.4","148","2","148","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C59 H42 B F15 Fe Ni O3 P2 -","- C59 H42 B F15 Fe Ni O3 P2 -","- C236 H168 B4 F60 Fe4 Ni4 O12 P8 -","4","1","","Jin, Dong; Schmeier, Timothy J.; Williard, Paul G.; Hazari, Nilay; Bernskoetter, Wesley H.","Lewis Acid Induced β-Elimination from a Nickelalactone: Efforts toward Acrylate Production from CO2and Ethylene","Organometallics","2013","32","7","2152","","10.1021/om400025h","","","0.71073","MoKα","","0.0719","0.0409","","","0.0835","0.0969","","","","","","0.974","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080484","17.8602","0.0017","7.5102","0.0007","21.248","0.002","90","","114.577","0.003","90","","2591.9","0.4","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N4 -","- C31 H34 N4 -","- C124 H136 N16 -","4","1","","Rad’kov, Vasily; Dorcet, Vincent; Carpentier, Jean-François; Trifonov, Alexander; Kirillov, Evgeny","Alkylyttrium Complexes of Amidine‒Amidopyridinate Ligands. Intramolecular C(sp3)‒H Activation and Reactivity Studies","Organometallics","2013","32","5","1517","","10.1021/om400027d","","x-ray","0.71073","MoKα","","0.123","0.0631","","","0.1465","0.1738","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080485","14.061","0.003","18.161","0.003","31.122","0.006","90","","101.108","0.005","90","","7798","3","250","2","250","2","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C78 H102 N8 O2 Si2 Y2 -","- C78 H102 N8 O2 Si2 Y2 -","- C312 H408 N32 O8 Si8 Y8 -","4","1","","Rad’kov, Vasily; Dorcet, Vincent; Carpentier, Jean-François; Trifonov, Alexander; Kirillov, Evgeny","Alkylyttrium Complexes of Amidine‒Amidopyridinate Ligands. Intramolecular C(sp3)‒H Activation and Reactivity Studies","Organometallics","2013","32","5","1517","","10.1021/om400027d","","x-ray","0.71073","MoKα","","0.1964","0.0622","","","0.1137","0.149","","","","","","0.98","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080486","11.7059","0.0004","22.5039","0.0006","13.387","0.0004","90","","104.14","0.001","90","","3419.67","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H45 B N5 Y -","- C38 H45 B N5 Y -","- C152 H180 B4 N20 Y4 -","4","1","","Rad’kov, Vasily; Dorcet, Vincent; Carpentier, Jean-François; Trifonov, Alexander; Kirillov, Evgeny","Alkylyttrium Complexes of Amidine‒Amidopyridinate Ligands. Intramolecular C(sp3)‒H Activation and Reactivity Studies","Organometallics","2013","32","5","1517","","10.1021/om400027d","","x-ray","0.71073","MoKα","","0.0753","0.0433","","","0.0949","0.1056","","","","","","1.021","","","","has coordinates,has disorder","178693","2020-10-21","18:00:00",""
"4080487","24.1225","0.0015","14.6664","0.0007","29.2667","0.0017","90","","121.401","0.002","90","","8837.8","0.9","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H102 N8 O2 Si2 Y2 -","- C84 H102 N8 O2 Si2 Y2 -","- C336 H408 N32 O8 Si8 Y8 -","4","0.5","","Rad’kov, Vasily; Dorcet, Vincent; Carpentier, Jean-François; Trifonov, Alexander; Kirillov, Evgeny","Alkylyttrium Complexes of Amidine‒Amidopyridinate Ligands. Intramolecular C(sp3)‒H Activation and Reactivity Studies","Organometallics","2013","32","5","1517","","10.1021/om400027d","","x-ray","0.71073","MoKα","","0.076","0.0475","","","0.1146","0.1241","","","","","","0.992","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080488","15.2617","0.0005","21.2573","0.0005","24.7584","0.0007","90","","106.618","0.001","90","","7696.7","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H98 N8 O2 Si2 Y2 -","- C82 H98 N8 O2 Si2 Y2 -","- C328 H392 N32 O8 Si8 Y8 -","4","1","","Rad’kov, Vasily; Dorcet, Vincent; Carpentier, Jean-François; Trifonov, Alexander; Kirillov, Evgeny","Alkylyttrium Complexes of Amidine‒Amidopyridinate Ligands. Intramolecular C(sp3)‒H Activation and Reactivity Studies","Organometallics","2013","32","5","1517","","10.1021/om400027d","","x-ray","0.71073","MoKα","","0.1556","0.0621","","","0.105","0.1304","","","","","","0.993","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080489","29.613","0.019","7.948","0.005","17.26","0.011","90","","123.962","0.008","90","","3369","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Br N S -","- C19 H14 Br N S -","- C152 H112 Br8 N8 S8 -","8","1","","Qiao, Ya-Lin; Jin, Guo-Xin","Nickel(II) and Palladium(II) Complexes with Tridentate [C,N,S] and [C,N,P] Ligands: Syntheses, Characterization, and Catalytic Norbornene Polymerization","Organometallics","2013","32","6","1932","","10.1021/om400033n","","","0.71073","MoKα","","0.1788","0.0739","","","0.1493","0.1898","","","","","","0.943","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080490","10.739","0.002","17.527","0.004","11.279","0.002","90","","106.456","0.003","90","","2036","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Br N P -","- C25 H19 Br N P -","- C100 H76 Br4 N4 P4 -","4","1","","Qiao, Ya-Lin; Jin, Guo-Xin","Nickel(II) and Palladium(II) Complexes with Tridentate [C,N,S] and [C,N,P] Ligands: Syntheses, Characterization, and Catalytic Norbornene Polymerization","Organometallics","2013","32","6","1932","","10.1021/om400033n","","","0.71073","MoKα","","0.0718","0.0476","","","0.1299","0.1423","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080491","12.2201","0.0012","15.134","0.0016","9.0568","0.001","90","","106.708","0.002","90","","1604.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N Pd S -","- C19 H14 Cl N Pd S -","- C76 H56 Cl4 N4 Pd4 S4 -","4","1","","Qiao, Ya-Lin; Jin, Guo-Xin","Nickel(II) and Palladium(II) Complexes with Tridentate [C,N,S] and [C,N,P] Ligands: Syntheses, Characterization, and Catalytic Norbornene Polymerization","Organometallics","2013","32","6","1932","","10.1021/om400033n","","","0.71073","MoKα","","0.0773","0.0447","","","0.1225","0.1417","","","","","","0.858","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080492","12.6651","0.0008","9.9737","0.0006","18.3405","0.001","90","","106.824","0.004","90","","2217.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 Pt S -","- C24 H28 N2 Pt S -","- C96 H112 N8 Pt4 S4 -","4","1","","Traversa, Elise; Templeton, Joseph L.; Cheng, Hiu Yan; Mohadjer Beromi, Megan; White, Peter S.; West, Nathan M.","Reductive Elimination from Platinum(IV) Aminotroponiminate Dimethyl Complexes Promoted by Sterically Hindered Lewis Bases","Organometallics","2013","32","6","1938","","10.1021/om400034y","","","1.54178","CuKα","","0.0584","0.0507","","","0.1113","0.1145","","","","","","1.094","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080493","11.676","0.0005","19.1569","0.0008","12.646","0.0005","90","","94.933","0.003","90","","2818.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 F3 N2 O4 Pt S2 -","- C26 H33 F3 N2 O4 Pt S2 -","- C104 H132 F12 N8 O16 Pt4 S8 -","4","1","","Traversa, Elise; Templeton, Joseph L.; Cheng, Hiu Yan; Mohadjer Beromi, Megan; White, Peter S.; West, Nathan M.","Reductive Elimination from Platinum(IV) Aminotroponiminate Dimethyl Complexes Promoted by Sterically Hindered Lewis Bases","Organometallics","2013","32","6","1938","","10.1021/om400034y","","","1.54178","CuKα","","0.0568","0.0475","","","0.1","0.1036","","","","","","1.132","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080494","9.3286","0.0002","12.9106","0.0002","14.91","0.0003","83.989","0.001","73.274","0.001","83.268","0.001","1703.13","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H40 F3 N3 O3 Pt S2 -","- C31 H40 F3 N3 O3 Pt S2 -","- C62 H80 F6 N6 O6 Pt2 S4 -","2","1","","Traversa, Elise; Templeton, Joseph L.; Cheng, Hiu Yan; Mohadjer Beromi, Megan; White, Peter S.; West, Nathan M.","Reductive Elimination from Platinum(IV) Aminotroponiminate Dimethyl Complexes Promoted by Sterically Hindered Lewis Bases","Organometallics","2013","32","6","1938","","10.1021/om400034y","","","0.71073","MoKα","","0.0479","0.0346","","","0.0614","0.0654","","","","","","1.035","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080495","13.5687","0.0007","19.0331","0.0012","13.5212","0.0007","90","","110.214","0.002","90","","3276.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 F3 N2 O4 P Pt S2 -","- C29 H42 F3 N2 O4 P Pt S2 -","- C116 H168 F12 N8 O16 P4 Pt4 S8 -","4","1","","Traversa, Elise; Templeton, Joseph L.; Cheng, Hiu Yan; Mohadjer Beromi, Megan; White, Peter S.; West, Nathan M.","Reductive Elimination from Platinum(IV) Aminotroponiminate Dimethyl Complexes Promoted by Sterically Hindered Lewis Bases","Organometallics","2013","32","6","1938","","10.1021/om400034y","","","1.54178","CuKα","","0.0618","0.0586","","","0.1444","0.1467","","","","","","1.16","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080496","10.2555","0.0008","12.2417","0.0009","12.6678","0.001","95.95","0.004","100.623","0.005","110.784","0.004","1436.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H35 N2 P Pt -","- C35 H35 N2 P Pt -","- C70 H70 N4 P2 Pt2 -","2","1","","Traversa, Elise; Templeton, Joseph L.; Cheng, Hiu Yan; Mohadjer Beromi, Megan; White, Peter S.; West, Nathan M.","Reductive Elimination from Platinum(IV) Aminotroponiminate Dimethyl Complexes Promoted by Sterically Hindered Lewis Bases","Organometallics","2013","32","6","1938","","10.1021/om400034y","","","1.54178","CuKα","","0.0641","0.0499","","","0.1207","0.128","","","","","","1.007","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080497","10.7822","0.0005","19.6848","0.0012","17.2688","0.0008","90","","94.1111","0.0012","90","","3655.8","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 F9 Fe4 N2 O3 P S -","- C33 H37 F9 Fe4 N2 O3 P S -","- C132 H148 F36 Fe16 N8 O12 P4 S4 -","4","1","","Okazaki, Masaaki; Taniwaki, Wataru; Miyagi, Kazuki; Takano, Masato; Kaneko, Satoshi; Ozawa, Fumiyuki","Lewis Acid Chemistry of a Cationic [CCH] Subunit in a Bisdisphenoidal Eight-Atom Tetrairon‒Tetracarbon Cluster","Organometallics","2013","32","6","1951","","10.1021/om400035q","","x-ray","0.71069","MoKα","","0.1146","0.0941","","","0.2165","0.2344","","","","","","1.232","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080498","10.3972","0.0006","16.1594","0.0007","11.5132","0.0008","90","","111.275","0.008","90","","1802.5","0.2","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H38 F12 Fe4 N3 P2 -","- C34 H38 F12 Fe4 N3 P2 -","- C68 H76 F24 Fe8 N6 P4 -","2","1","","Okazaki, Masaaki; Taniwaki, Wataru; Miyagi, Kazuki; Takano, Masato; Kaneko, Satoshi; Ozawa, Fumiyuki","Lewis Acid Chemistry of a Cationic [CCH] Subunit in a Bisdisphenoidal Eight-Atom Tetrairon‒Tetracarbon Cluster","Organometallics","2013","32","6","1951","","10.1021/om400035q","","x-ray","0.71075","MoKα","","0.0318","0.0297","","","0.0699","0.0712","","","","","","1.067","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080499","9.8734","0.0003","20.1827","0.0007","24.0045","0.0008","90","","100.266","0.0009","90","","4706.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H61 B Fe4 N O -","- C58 H61 B Fe4 N O -","- C232 H244 B4 Fe16 N4 O4 -","4","1","","Okazaki, Masaaki; Taniwaki, Wataru; Miyagi, Kazuki; Takano, Masato; Kaneko, Satoshi; Ozawa, Fumiyuki","Lewis Acid Chemistry of a Cationic [CCH] Subunit in a Bisdisphenoidal Eight-Atom Tetrairon‒Tetracarbon Cluster","Organometallics","2013","32","6","1951","","10.1021/om400035q","","x-ray","0.71075","MoKα","","0.0687","0.0531","","","0.1385","0.1489","","","","","","1.054","","","","has coordinates","178693","2020-10-21","18:00:00",""
"4080500","10.4257","0.0003","10.4257","0.0003","30.5083","0.0009","90","","90","","90","","3316.11","0.17","173","2","173","2","","","","","","","","7","P 43","P 4cw","78","","","","- C34 H36 F6 Fe4 N2 O2 P -","- C34 H36 F6 Fe4 N2 O2 P -","- C136 H144 F24 Fe16 N8 O8 P4 -","4","1","","Okazaki, Masaaki; Taniwaki, Wataru; Miyagi, Kazuki; Takano, Masato; Kaneko, Satoshi; Ozawa, Fumiyuki","Lewis Acid Chemistry of a Cationic [CCH] Subunit in a Bisdisphenoidal Eight-Atom Tetrairon‒Tetracarbon Cluster","Organometallics","2013","32","6","1951","","10.1021/om400035q","","x-ray","0.71075","MoKα","","0.0285","0.0259","","","0.0625","0.0638","","","","","","1.019","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080501","18.7467","0.0001","14.6766","0.0001","26.1406","0.0002","90","","101.74","0.0004","90","","7041.82","0.08","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C66 H76 B2 F24 N P Ru -","- C66 H76 B2 F24 N P Ru -","- C264 H304 B8 F96 N4 P4 Ru4 -","4","1","","Addy, David A.; Bates, Joshua I.; Kelly, Michael J.; Riddlestone, Ian M.; Aldridge, Simon","Aminoborane σ Complexes: Significance of Hydride Co-ligands in Dynamic Processes and Dehydrogenative Borylene Formation","Organometallics","2013","32","6","1583","","10.1021/om400040q","","","0.71073","MoKα","","0.1199","0.081","","0.2564","0.2032","0.2564","","","","","","0.9292","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080502","12.8893","0.0002","13.6791","0.0003","18.9851","0.0004","91.1751","0.0009","90.1685","0.001","90.5343","0.0008","3346.47","0.11","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H58 B2 F24 N P Ru -","- C66 H58 B2 F24 N P Ru -","- C132 H116 B4 F48 N2 P2 Ru2 -","2","1","","Addy, David A.; Bates, Joshua I.; Kelly, Michael J.; Riddlestone, Ian M.; Aldridge, Simon","Aminoborane σ Complexes: Significance of Hydride Co-ligands in Dynamic Processes and Dehydrogenative Borylene Formation","Organometallics","2013","32","6","1583","","10.1021/om400040q","","","0.71073","MoKα","","0.1126","0.0702","","0.1767","0.1313","0.1767","","","","","","0.9332","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080503","20.0982","0.0002","16.8675","0.0002","22.0476","0.0003","90","","94.1089","0.0006","90","","7455.07","0.15","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H63 B2 F24 N P2 Ru -","- C79 H63 B2 F24 N P2 Ru -","- C316 H252 B8 F96 N4 P8 Ru4 -","4","1","","Addy, David A.; Bates, Joshua I.; Kelly, Michael J.; Riddlestone, Ian M.; Aldridge, Simon","Aminoborane σ Complexes: Significance of Hydride Co-ligands in Dynamic Processes and Dehydrogenative Borylene Formation","Organometallics","2013","32","6","1583","","10.1021/om400040q","","","0.71073","MoKα","","0.0722","0.0536","","0.13","0.1129","0.13","","","","","","0.91","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080504","12.7989","0.0001","26.3879","0.0002","20.0973","0.0001","90","","90.5439","0.0003","90","","6787.28","0.08","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H74 B2 F24 N2 P Ru -","- C65 H74 B2 F24 N2 P Ru -","- C260 H296 B8 F96 N8 P4 Ru4 -","4","1","","Addy, David A.; Bates, Joshua I.; Kelly, Michael J.; Riddlestone, Ian M.; Aldridge, Simon","Aminoborane σ Complexes: Significance of Hydride Co-ligands in Dynamic Processes and Dehydrogenative Borylene Formation","Organometallics","2013","32","6","1583","","10.1021/om400040q","","","0.71073","MoKα","","0.0838","0.0577","","0.1556","0.1283","0.1556","","","","","","0.945","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080505","18.9717","0.0001","17.2717","0.0001","36.3666","0.0003","90","","94.5427","0.0003","90","","11878.9","0.14","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H58 B F24 P Ru -","- C60 H58 B F24 P Ru -","- C480 H464 B8 F192 P8 Ru8 -","8","1","","Addy, David A.; Bates, Joshua I.; Kelly, Michael J.; Riddlestone, Ian M.; Aldridge, Simon","Aminoborane σ Complexes: Significance of Hydride Co-ligands in Dynamic Processes and Dehydrogenative Borylene Formation","Organometallics","2013","32","6","1583","","10.1021/om400040q","","","0.71073","MoKα","","0.1168","0.0733","","0.1915","0.1694","0.1915","","","","","","0.928","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080506","8.5435","0.0005","8.6724","0.0005","12.6108","0.0008","96.93","0.002","95.43","0.002","97.572","0.002","913.63","0.1","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H48 B2 I2 N8 O2 S2 -","- C26 H48 B2 I2 N8 O2 S2 -","- C26 H48 B2 I2 N8 O2 S2 -","1","0.5","","Bass, Heather M.; Cramer, S. Alan; McCullough, Alexander S.; Bernstein, Karl J.; Murdock, Christopher R.; Jenkins, David M.","Employing Dianionic Macrocyclic Tetracarbenes To Synthesize Neutral Divalent Metal Complexes","Organometallics","2013","32","7","2160","","10.1021/om400043z","","","0.71073","MoKα","","0.0326","0.0315","","","0.0806","0.0815","","","","","","1.073","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080507","13.4806","0.0004","13.4806","0.0004","29.3772","0.0009","90","","90","","120","","4623.4","0.2","100","2","100","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H40 B2 Br2 N8 O4 -","- C20 H40 B2 Br2 N8 O4 -","- C120 H240 B12 Br12 N48 O24 -","6","0.5","","Bass, Heather M.; Cramer, S. Alan; McCullough, Alexander S.; Bernstein, Karl J.; Murdock, Christopher R.; Jenkins, David M.","Employing Dianionic Macrocyclic Tetracarbenes To Synthesize Neutral Divalent Metal Complexes","Organometallics","2013","32","7","2160","","10.1021/om400043z","","","0.71073","MoKα","","0.0659","0.0609","","","0.169","0.1737","","","","","","1.097","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080508","18.058","0.004","12.853","0.003","11.742","0.005","90","","126.154","0.002","90","","2200.5","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 B2 N8 Ni -","- C20 H28 B2 N8 Ni -","- C80 H112 B8 N32 Ni4 -","4","0.5","","Bass, Heather M.; Cramer, S. Alan; McCullough, Alexander S.; Bernstein, Karl J.; Murdock, Christopher R.; Jenkins, David M.","Employing Dianionic Macrocyclic Tetracarbenes To Synthesize Neutral Divalent Metal Complexes","Organometallics","2013","32","7","2160","","10.1021/om400043z","","","0.71073","MoKα","","0.0563","0.0415","","","0.0976","0.1055","","","","","","1.068","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080509","16.957","0.002","12.5805","0.0015","12.1662","0.0014","90","","122.257","0.001","90","","2194.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 B2 N8 Pd -","- C20 H28 B2 N8 Pd -","- C80 H112 B8 N32 Pd4 -","4","0.5","","Bass, Heather M.; Cramer, S. Alan; McCullough, Alexander S.; Bernstein, Karl J.; Murdock, Christopher R.; Jenkins, David M.","Employing Dianionic Macrocyclic Tetracarbenes To Synthesize Neutral Divalent Metal Complexes","Organometallics","2013","32","7","2160","","10.1021/om400043z","","","0.71073","MoKα","","0.033","0.0277","","","0.0625","0.0653","","","","","","1.061","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080510","13.6932","0.0005","16.6751","0.0006","24.4","0.0008","90","","98.888","0.002","90","","5504.5","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61.5 H67 Cl N2 O2 P2 Ru -","- C61.5 H67 Cl N2 O2 P2 Ru -","- C246 H268 Cl4 N8 O8 P8 Ru4 -","4","1","","Wang, Tongen; Pranckevicius, Conor; Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Ruthenium Carbene‒Diether Ligand Complexes: Catalysts for Hydrogenation of Olefins","Organometallics","2013","32","7","2168","","10.1021/om400044w","","","0.71073","MoKα","","0.0694","0.039","","","0.0752","0.085","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080511","10.8308","0.0008","11.4714","0.0008","21.7185","0.0016","79.62","0.004","83.685","0.004","71.402","0.004","2511.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H67 Cl N2 O2 P2 Ru -","- C55 H67 Cl N2 O2 P2 Ru -","- C110 H134 Cl2 N4 O4 P4 Ru2 -","2","1","","Wang, Tongen; Pranckevicius, Conor; Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Ruthenium Carbene‒Diether Ligand Complexes: Catalysts for Hydrogenation of Olefins","Organometallics","2013","32","7","2168","","10.1021/om400044w","","","0.71073","MoKα","","0.0736","0.0601","","","0.1563","0.1657","","","","","","1.082","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080512","10.6483","0.0009","12.1231","0.001","18.4292","0.0014","75.387","0.004","89.222","0.005","83.008","0.005","2284.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H50 Cl N2 O2 P2 Ru -","- C55 H50 Cl N2 O2 P2 Ru -","- C110 H100 Cl2 N4 O4 P4 Ru2 -","2","1","","Wang, Tongen; Pranckevicius, Conor; Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Ruthenium Carbene‒Diether Ligand Complexes: Catalysts for Hydrogenation of Olefins","Organometallics","2013","32","7","2168","","10.1021/om400044w","","","0.71073","MoKα","","0.1185","0.0576","","","0.1137","0.1358","","","","","","1.007","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080513","21.1035","0.0006","13.4582","0.0004","22.183","0.0008","90","","99.727","0.001","90","","6209.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H85 Cl N4 O2 P Ru -","- C70 H85 Cl N4 O2 P Ru -","- C280 H340 Cl4 N16 O8 P4 Ru4 -","4","1","","Wang, Tongen; Pranckevicius, Conor; Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Ruthenium Carbene‒Diether Ligand Complexes: Catalysts for Hydrogenation of Olefins","Organometallics","2013","32","7","2168","","10.1021/om400044w","","","0.71073","MoKα","","0.0673","0.0491","","","0.1161","0.1247","","","","","","1.078","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080514","20.2438","0.001","13.4384","0.0006","16.6949","0.0008","90","","109.275","0.003","90","","4287.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H49 Cl N2 O2 P2 Ru -","- C49 H49 Cl N2 O2 P2 Ru -","- C196 H196 Cl4 N8 O8 P8 Ru4 -","4","1","","Wang, Tongen; Pranckevicius, Conor; Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Ruthenium Carbene‒Diether Ligand Complexes: Catalysts for Hydrogenation of Olefins","Organometallics","2013","32","7","2168","","10.1021/om400044w","","","0.71073","MoKα","","0.0877","0.0439","","","0.11","0.1416","","","","","","0.818","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080515","20.5084","0.0011","12.5772","0.0006","16.0558","0.0009","90","","90.392","0.002","90","","4141.3","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H45 Cl3 N2 O2 P2 Ru -","- C45 H45 Cl3 N2 O2 P2 Ru -","- C180 H180 Cl12 N8 O8 P8 Ru4 -","4","1","","Wang, Tongen; Pranckevicius, Conor; Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Ruthenium Carbene‒Diether Ligand Complexes: Catalysts for Hydrogenation of Olefins","Organometallics","2013","32","7","2168","","10.1021/om400044w","","","0.71073","MoKα","","0.0559","0.0395","","","0.1025","0.1114","","","","","","1.031","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080516","10.44","0.003","12.236","0.003","18.231","0.005","73.988","0.014","83.053","0.014","84.911","0.014","2218.4","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H49 Cl3 N2 O3 P2 Ru -","- C47 H49 Cl3 N2 O3 P2 Ru -","- C94 H98 Cl6 N4 O6 P4 Ru2 -","2","1","","Wang, Tongen; Pranckevicius, Conor; Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Ruthenium Carbene‒Diether Ligand Complexes: Catalysts for Hydrogenation of Olefins","Organometallics","2013","32","7","2168","","10.1021/om400044w","","","0.71073","MoKα","","0.1171","0.0496","","","0.0902","0.1083","","","","","","0.878","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080517","16.7271","0.0018","23.182","0.003","33.512","0.003","90","","90","","90","","12995","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H42 Cl N4 O3 Ru -","- C31 H42 Cl N4 O3 Ru -","- C496 H672 Cl16 N64 O48 Ru16 -","16","2","","Wang, Tongen; Pranckevicius, Conor; Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Ruthenium Carbene‒Diether Ligand Complexes: Catalysts for Hydrogenation of Olefins","Organometallics","2013","32","7","2168","","10.1021/om400044w","","","0.71073","MoKα","","0.0604","0.0444","","","0.1089","0.1197","","","","","","1.046","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080518","12.6933","0.0009","14.0273","0.001","17.4882","0.0012","97.558","0.003","104.656","0.003","108.104","0.003","2787.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H75 B N4 O2 Ru -","- C66 H75 B N4 O2 Ru -","- C132 H150 B2 N8 O4 Ru2 -","2","1","","Wang, Tongen; Pranckevicius, Conor; Lund, Clinton L.; Sgro, Michael J.; Stephan, Douglas W.","Ruthenium Carbene‒Diether Ligand Complexes: Catalysts for Hydrogenation of Olefins","Organometallics","2013","32","7","2168","","10.1021/om400044w","","","0.71073","MoKα","","0.0732","0.0443","","","0.0835","0.093","","","","","","1.013","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080519","9.4347","0.0008","12.5162","0.0011","16.0412","0.0014","75.497","0.001","78.327","0.001","71.822","0.001","1726.4","0.3","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C37 H24 Cl2 N6 O4 Pd2 -","- C37 H24 Cl2 N6 O4 Pd2 -","- C74 H48 Cl4 N12 O8 Pd4 -","2","1","","Powers, David C.; Ritter, Tobias","A Transition State Analogue for the Oxidation of Binuclear Palladium(II) to Binuclear Palladium(III) Complexes","Organometallics","2013","32","7","2042","","10.1021/om4000456","","","0.71073","MoKα","","0.0513","0.0368","","","0.07","0.0745","","","","","","1.064","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080520","11.8268","0.0005","25.7252","0.001","21.1322","0.0008","90","","105.904","0.002","90","","6183.3","0.4","112","2","112","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C65 H101 N Si3 -","- C65 H101 N Si3 -","- C260 H404 N4 Si12 -","4","1","","Ohmori, Yu; Ichinohe, Masaaki; Sekiguchi, Akira; Cowley, Michael J.; Huch, Volker; Scheschkewitz, David","Functionalized Cyclic Disilenes via Ring Expansion of Cyclotrisilenes with Isocyanides","Organometallics","2013","32","6","1591","","10.1021/om400054u","","","0.71073","MoKα","","0.0733","0.0504","","","0.1144","0.1234","","","","","","1.063","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080521","20.0059","0.0006","14.7795","0.0005","20.1475","0.0006","90","","115.714","0.001","90","","5367.2","0.3","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2,3,3-Tetrakis(di-tert-butylmethylsilyl)-4-[N-(2,6-dimethylphenyl)imino]- 1,2,3-trisilacyclobutene","","- C45 H93 N Si7 -","- C45 H93 N Si7 -","- C180 H372 N4 Si28 -","4","1","","Ohmori, Yu; Ichinohe, Masaaki; Sekiguchi, Akira; Cowley, Michael J.; Huch, Volker; Scheschkewitz, David","Functionalized Cyclic Disilenes via Ring Expansion of Cyclotrisilenes with Isocyanides","Organometallics","2013","32","6","1591","","10.1021/om400054u","","","0.71073","MoKα","","0.0532","0.0418","","","0.1048","0.1122","","","","","","0.98","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080522","13.3836","0.0006","13.6638","0.0006","19.0406","0.0008","83.677","0.002","87.454","0.002","73.316","0.002","3314.8","0.3","122","2","122","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H108 N Si3 -","- C72 H108 N Si3 -","- C144 H216 N2 Si6 -","2","1","","Ohmori, Yu; Ichinohe, Masaaki; Sekiguchi, Akira; Cowley, Michael J.; Huch, Volker; Scheschkewitz, David","Functionalized Cyclic Disilenes via Ring Expansion of Cyclotrisilenes with Isocyanides","Organometallics","2013","32","6","1591","","10.1021/om400054u","","","0.71073","MoKα","","0.0691","0.0444","","","0.1059","0.119","","","","","","1.014","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080523","17.432","0.004","16.519","0.003","21.023","0.004","90","","101.2","0.03","90","","5938","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H68 Au2 B8 P2 Rh2 -","- C56 H68 Au2 B8 P2 Rh2 -","- C224 H272 Au8 B32 P8 Rh8 -","4","1","","Roy, Dipak Kumar; Anju, R. S.; Varghese, Babu; Ghosh, Sundargopal","Reactivity of Dirhodium Analogues of Octaborane-12 and Decaborane-14 towards Transition-Metal Moieties","Organometallics","2013","32","6","1964","","10.1021/om400055s","","","0.71073","MoKα","","0.0633","0.0406","","","0.0874","0.1011","","","","","","1.107","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080524","12.802","0.002","14.693","0.002","17.784","0.002","102.622","0.006","105.979","0.006","99.782","0.006","3042.4","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H70 Au2 B6 Cl4 P2 Rh2 -","- C58 H70 Au2 B6 Cl4 P2 Rh2 -","- C116 H140 Au4 B12 Cl8 P4 Rh4 -","2","1","","Roy, Dipak Kumar; Anju, R. S.; Varghese, Babu; Ghosh, Sundargopal","Reactivity of Dirhodium Analogues of Octaborane-12 and Decaborane-14 towards Transition-Metal Moieties","Organometallics","2013","32","6","1964","","10.1021/om400055s","","","0.71073","MoKα","","0.0526","0.0479","","","0.1292","0.1322","","","","","","1.142","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080525","10.0001","0.0004","11.5343","0.0006","18.9128","0.0008","79.419","0.003","82.464","0.002","67.166","0.002","1972.02","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H33 B6 Fe4 O10 Rh2 -","- C30 H33 B6 Fe4 O10 Rh2 -","- C60 H66 B12 Fe8 O20 Rh4 -","2","1","","Roy, Dipak Kumar; Anju, R. S.; Varghese, Babu; Ghosh, Sundargopal","Reactivity of Dirhodium Analogues of Octaborane-12 and Decaborane-14 towards Transition-Metal Moieties","Organometallics","2013","32","6","1964","","10.1021/om400055s","","","0.71073","MoKα","","0.0474","0.0323","","","0.098","0.1163","","","","","","0.836","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080526","18.612","0.005","8.905","0.005","18.083","0.005","90","0.005","96.861","0.005","90","0.005","2976","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 B3 Fe2 O6 Rh2 -","- C26 H30 B3 Fe2 O6 Rh2 -","- C104 H120 B12 Fe8 O24 Rh8 -","4","1","","Roy, Dipak Kumar; Anju, R. S.; Varghese, Babu; Ghosh, Sundargopal","Reactivity of Dirhodium Analogues of Octaborane-12 and Decaborane-14 towards Transition-Metal Moieties","Organometallics","2013","32","6","1964","","10.1021/om400055s","","","0.71073","MoKα","","0.0961","0.0716","","","0.1747","0.1887","","","","","","1.089","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080527","18.3909","0.0004","9.6367","0.0002","16.9976","0.0003","90","","90.349","0.002","90","","3012.39","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Fe2 O8 Rh2 -","- C28 H30 Fe2 O8 Rh2 -","- C112 H120 Fe8 O32 Rh8 -","4","1","","Roy, Dipak Kumar; Anju, R. S.; Varghese, Babu; Ghosh, Sundargopal","Reactivity of Dirhodium Analogues of Octaborane-12 and Decaborane-14 towards Transition-Metal Moieties","Organometallics","2013","32","6","1964","","10.1021/om400055s","","","0.71073","MoKα","","0.0389","0.0352","","","0.0986","0.1026","","","","","","1.044","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080528","12.5312","0.0007","12.7679","0.0007","14.9324","0.0008","83.943","0.002","66.915","0.001","72.7","0.001","2098.2","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H24 Au O10 Os3 P -","- C44 H24 Au O10 Os3 P -","- C88 H48 Au2 O20 Os6 P2 -","2","1","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Dynamic Rotation of Bridging Aryl Ligands in Unsaturated Metal Carbonyl Cluster Complexes","Organometallics","2013","32","6","1587","","10.1021/om400059c","","","0.71073","MoKα","","0.0832","0.0473","","","0.0753","0.0874","","","","","","1.003","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080529","24.8348","0.0012","28.6396","0.0012","8.5557","0.0003","90","","90","","90","","6085.3","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","2,6-iPr2LNiCl2(CH3CN)","acetonitrile dichloro(2,6-bis{1-[(2-isopropylphenyl)-imino]ethyl}pyridine)nickel(II)","","- C29.5 H34.75 Cl2 N4.25 Ni -","- C29.5 H34 Cl2 N4.25 Ni -","- C236 H272 Cl16 N34 Ni8 -","8","1","","Antonov, Artem A.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.","Formation of Cationic Intermediates upon the Activation of Bis(imino)pyridine Nickel Catalysts","Organometallics","2013","32","7","2187","","10.1021/om400061p","","x-ray","0.71073","MoKα","","0.0851","0.0519","","","0.1615","0.1864","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080530","9.1255","0.0007","9.7833","0.0007","11.2992","0.0009","99.758","0.001","102.21","0.001","102.629","0.001","937.16","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","9a in manuscript","","","- C18 H26 Au Cl N2 -","- C18 H26 Au Cl N2 -","- C36 H52 Au2 Cl2 N4 -","2","1","","Manzano, Rubén; Rominger, Frank; Hashmi, A. Stephen K.","Saturated Abnormal NHC‒Gold(I) Complexes: Synthesis and Catalytic Activity","Organometallics","2013","32","7","2199","","10.1021/om4000659","","","0.71073","MoKα","","0.0128","0.0113","","","0.0269","0.0273","","","","","","1.046","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080531","10.0881","0.0012","10.9105","0.0014","12.697","0.0016","80.699","0.002","76.187","0.002","88.447","0.002","1339.2","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","23b in manuscript","","","- C24 H32 Au Cl2 I N2 -","- C24 H32 Au Cl2 I N2 -","- C48 H64 Au2 Cl4 I2 N4 -","2","1","","Manzano, Rubén; Rominger, Frank; Hashmi, A. Stephen K.","Saturated Abnormal NHC‒Gold(I) Complexes: Synthesis and Catalytic Activity","Organometallics","2013","32","7","2199","","10.1021/om4000659","","","0.71073","MoKα","","0.0373","0.0308","","","0.0795","0.0824","","","","","","1.065","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080532","9.3743","0.0006","10.9831","0.0006","24.7685","0.0015","90","","90","","90","","2550.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Cl2 N2 Pd -","- C27 H28 Cl2 N2 Pd -","- C108 H112 Cl8 N8 Pd4 -","4","1","","Kritchenkov, Andreii S.; Luzyanin, Konstantin V.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Gurzhiy, Vladislav V.; Kukushkin, Vadim Yu.","Selective Nucleophilic Oxygenation of Palladium-Bound Isocyanide Ligands: Route to Imine Complexes That Serve as Efficient Catalysts for Copper-/Phosphine-Free Sonogashira Reactions","Organometallics","2013","32","6","1979","","10.1021/om4000665","","","0.71073","MoKα","","0.0606","0.0517","","","0.1215","0.126","","","","","","1.015","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080533","10.8823","0.0006","21.1719","0.0011","19.4673","0.001","90","","101.954","0.001","90","","4388","0.4","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H47 N5 P2 Ru -","- C56 H47 N5 P2 Ru -","- C224 H188 N20 P8 Ru4 -","4","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Base-Free, Acceptorless, and Chemoselective Alcohol Dehydrogenation Catalyzed by an Amide-DerivedNNN-Ruthenium(II) Hydride Complex","Organometallics","2013","32","7","2046","","10.1021/om4000677","","","0.71073","MoKα","","0.0671","0.04","","","0.0839","0.0933","","","","","","1.018","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080534","10.2275","0.0004","15.8186","0.0007","19.4086","0.0014","90","","90","","90","","3140","0.3","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H32 Cl N4 P Ru -","- C38 Cl N5 P Ru -","- C152 Cl4 N20 P4 Ru4 -","4","1","","Tseng, Kuei-Nin T.; Kampf, Jeff W.; Szymczak, Nathaniel K.","Base-Free, Acceptorless, and Chemoselective Alcohol Dehydrogenation Catalyzed by an Amide-DerivedNNN-Ruthenium(II) Hydride Complex","Organometallics","2013","32","7","2046","","10.1021/om4000677","","","1.54178","CuKα","","0.0787","0.0729","","","0.1942","0.2025","","","","","","1.336","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080535","11.6685","0.0008","14.3088","0.0009","22.9645","0.0016","90","","91.113","0.002","90","","3833.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 N2 O W -","- C44 H54 N2 O W -","- C176 H216 N8 O4 W4 -","4","1","","Gerber, Laura C. H.; Schrock, Richard R.; Müller, Peter","Molybdenum and Tungsten Monoalkoxide Pyrrolide (MAP) Alkylidene Complexes That Contain a 2,6-Dimesitylphenylimido Ligand","Organometallics","2013","32","8","2373","","10.1021/om4000693","","","0.71073","MoKα","","0.0395","0.0273","","","0.0597","0.064","","","","","","1.066","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080536","9.883","0.0007","11.6031","0.0008","20.9756","0.0015","79.475","0.002","83.237","0.001","83.253","0.002","2337","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H53 Cl4 N3 W Zn -","- C51 H53 Cl4 N3 W Zn -","- C102 H106 Cl8 N6 W2 Zn2 -","2","1","","Gerber, Laura C. H.; Schrock, Richard R.; Müller, Peter","Molybdenum and Tungsten Monoalkoxide Pyrrolide (MAP) Alkylidene Complexes That Contain a 2,6-Dimesitylphenylimido Ligand","Organometallics","2013","32","8","2373","","10.1021/om4000693","","","0.71073","MoKα","","0.0307","0.0261","","","0.063","0.0644","","","","","","1.039","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080537","37.898","0.002","11.0508","0.0007","20.6358","0.0013","90","","117.321","0.001","90","","7678.3","0.8","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 Dy N2 Si2 -","- C39 H52 Dy N2 Si2 -","- C312 H416 Dy8 N16 Si16 -","8","1","","Yao, Changguang; Wu, Chunji; Wang, Baoli; Cui, Dongmei","Copolymerization of Ethylene with 1-Hexene and 1-Octene Catalyzed by Fluorenyl N-Heterocyclic Carbene Ligated Rare-Earth Metal Precursors","Organometallics","2013","32","7","2204","","10.1021/om4000709","","","0.71073","MoKα","","0.0493","0.0338","","","0.0776","0.0847","","","","","","1.046","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080538","37.909","0.002","11.0583","0.0007","20.5609","0.0014","90","","117.264","0.001","90","","7661.8","0.8","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H52 Er N2 Si2 -","- C39 H52 Er N2 Si2 -","- C312 H416 Er8 N16 Si16 -","8","1","","Yao, Changguang; Wu, Chunji; Wang, Baoli; Cui, Dongmei","Copolymerization of Ethylene with 1-Hexene and 1-Octene Catalyzed by Fluorenyl N-Heterocyclic Carbene Ligated Rare-Earth Metal Precursors","Organometallics","2013","32","7","2204","","10.1021/om4000709","","","0.71073","MoKα","","0.0859","0.0596","","","0.1279","0.1413","","","","","","1.045","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080539","10.9902","0.0009","15.1213","0.0011","19.4765","0.0015","90","","92.062","0.003","90","","3234.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H22 B Cl F15 N -","- C35.5 H22 B Cl F15 N -","- C142 H88 B4 Cl4 F60 N4 -","4","1","","Mahdi, Tayseer; del Castillo, Jon Nathaniel; Stephan, Douglas W.","Metal-Free Hydrogenation ofN-Based Heterocycles","Organometallics","2013","32","6","1971","","10.1021/om4000727","","","0.71073","MoKα","","0.0808","0.0495","","","0.118","0.1363","","","","","","0.936","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080540","10.1339","0.0005","11.2923","0.0006","11.8209","0.0006","98.563","0.002","109.751","0.002","94.983","0.002","1245.2","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 B F15 N -","- C25 H17 B F15 N -","- C50 H34 B2 F30 N2 -","2","1","","Mahdi, Tayseer; del Castillo, Jon Nathaniel; Stephan, Douglas W.","Metal-Free Hydrogenation ofN-Based Heterocycles","Organometallics","2013","32","6","1971","","10.1021/om4000727","","","0.71073","MoKα","","0.0431","0.0371","","","0.092","0.0964","","","","","","1.044","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080541","13.7416","0.0004","11.9983","0.0004","19.1036","0.0007","90","","109.317","0.002","90","","2972.4","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H20 B1.33 F20 N1.33 -","- C42 H20 B1.33333 F20 N1.33333 -","- C126 H60 B4 F60 N4 -","3","0.75","","Mahdi, Tayseer; del Castillo, Jon Nathaniel; Stephan, Douglas W.","Metal-Free Hydrogenation ofN-Based Heterocycles","Organometallics","2013","32","6","1971","","10.1021/om4000727","","","0.71073","MoKα","","0.0481","0.0362","","","0.097","0.1054","","","","","","1.042","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080542","9.5967","0.0015","10.8364","0.0015","14.143","0.002","75.929","0.005","80.009","0.006","76.629","0.005","1377.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 B F15 N -","- C27.48 H19.21 B F14.6 N0.95 -","- C54.96 H38.42 B2 F29.2 N1.9 -","2","1","","Mahdi, Tayseer; del Castillo, Jon Nathaniel; Stephan, Douglas W.","Metal-Free Hydrogenation ofN-Based Heterocycles","Organometallics","2013","32","6","1971","","10.1021/om4000727","","","0.71073","MoKα","","0.0711","0.0553","","","0.1532","0.17","","","","","","1.008","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080543","20.155","0.0011","13.3628","0.0011","26.6328","0.0018","90","","111.905","0.006","90","","6655.1","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H25.5 B Br0.5 F15 N -","- C36 H25.5 B Br0.5 F15 N -","- C288 H204 B8 Br4 F120 N8 -","8","1","","Mahdi, Tayseer; del Castillo, Jon Nathaniel; Stephan, Douglas W.","Metal-Free Hydrogenation ofN-Based Heterocycles","Organometallics","2013","32","6","1971","","10.1021/om4000727","","","0.71073","MoKα","","0.1189","0.0651","","","0.1539","0.1802","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080544","9.7752","0.0004","12.058","0.0004","12.112","0.0005","102.296","0.002","100.079","0.002","90.901","0.002","1371.27","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 B F15 N -","- C28 H21 B F15 N -","- C56 H42 B2 F30 N2 -","2","1","","Mahdi, Tayseer; del Castillo, Jon Nathaniel; Stephan, Douglas W.","Metal-Free Hydrogenation ofN-Based Heterocycles","Organometallics","2013","32","6","1971","","10.1021/om4000727","","","0.71073","MoKα","","0.0461","0.0362","","","0.0907","0.0971","","","","","","1.036","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080545","11.2914","0.0004","18.3705","0.0007","14.5648","0.0005","90","","90.48","0.002","90","","3021.05","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 B F15 N -","- C31 H25 B F15 N -","- C124 H100 B4 F60 N4 -","4","1","","Mahdi, Tayseer; del Castillo, Jon Nathaniel; Stephan, Douglas W.","Metal-Free Hydrogenation ofN-Based Heterocycles","Organometallics","2013","32","6","1971","","10.1021/om4000727","","","0.71073","MoKα","","0.1102","0.0778","","","0.2107","0.2335","","","","","","1.007","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080546","10.725","0.0006","11.2916","0.0007","13.6756","0.0008","70.523","0.002","88.868","0.002","86.934","0.002","1559.14","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 B F15 N -","- C34 H30 B F15 N -","- C68 H60 B2 F30 N2 -","2","1","","Mahdi, Tayseer; del Castillo, Jon Nathaniel; Stephan, Douglas W.","Metal-Free Hydrogenation ofN-Based Heterocycles","Organometallics","2013","32","6","1971","","10.1021/om4000727","","","0.71073","MoKα","","0.0442","0.0371","","","0.0994","0.1066","","","","","","0.926","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080547","9.9895","0.0004","11.5666","0.0005","15.541","0.0006","90","","105.054","0.002","90","","1734.05","0.12","150","2","150","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C38 H26 B F15 N2 -","- C38 H26 B F15 N2 -","- C76 H52 B2 F30 N4 -","2","1","","Mahdi, Tayseer; del Castillo, Jon Nathaniel; Stephan, Douglas W.","Metal-Free Hydrogenation ofN-Based Heterocycles","Organometallics","2013","32","6","1971","","10.1021/om4000727","","","0.71073","MoKα","","0.059","0.04","","","0.0813","0.0893","","","","","","1.011","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080548","16.799","0.002","18.206","0.003","33.473","0.005","90","","90","","90","","10237","3","173","2","173","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C51 H83 Cl Ir N O2 P2 -","- C51 H83 Cl Ir N O2 P2 -","- C408 H664 Cl8 Ir8 N8 O16 P16 -","8","1","","Chang, Yung-Hung; Nakajima, Yumiko; Ozawa, Fumiyuki","A Bis(phosphaethenyl)pyridine Complex of Iridium(I): Synthesis and Catalytic Application toN-Alkylation of Amines with Alcohols","Organometallics","2013","32","7","2210","","10.1021/om4000743","","","0.7107","MoKα","","0.0536","0.0427","","","0.1332","0.1437","","","","","","1.003","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080549","18.907","0.008","10.975","0.003","15.506","0.004","90","","103.24","0.03","90","","3132","1.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Ag2 F6 N6 O2 -","- C28 H26 Ag2 F6 N6 O2 -","- C112 H104 Ag8 F24 N24 O8 -","4","0.5","","Guernon, Hannah; Legault, Claude Y.","N-Acyliminoimidazolium Ylides as Precursors to AnionicN-Heterocyclic Carbene Ligands: Control of Topology and Reactivity","Organometallics","2013","32","6","1988","","10.1021/om400078f","","","0.71073","MoKα","","0.0685","0.0433","","","0.1057","0.1155","","","","","","0.991","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080550","8.529","0.004","10.391","0.003","12.512","0.007","91.22","0.04","109.88","0.04","107.34","0.03","986.1","0.9","193","2","193","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C17.5 H20 Ag Cl F3 N3 O -","- C17.472 H19.944 Ag Cl0.944 F3 N3 O -","- C34.944 H39.888 Ag2 Cl1.888 F6 N6 O2 -","2","1","","Guernon, Hannah; Legault, Claude Y.","N-Acyliminoimidazolium Ylides as Precursors to AnionicN-Heterocyclic Carbene Ligands: Control of Topology and Reactivity","Organometallics","2013","32","6","1988","","10.1021/om400078f","","x-ray","1.54176","CuKα","","0.14","0.0947","","","0.2494","0.285","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080551","11.766","0.003","19.158","0.002","36.462","0.006","90","","90","","90","","8219","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Ag3 Cl2 F9 N9 O3 -","- C28 H35 Ag3 Cl2 F9 N9 O3 -","- C224 H280 Ag24 Cl16 F72 N72 O24 -","8","2","","Guernon, Hannah; Legault, Claude Y.","N-Acyliminoimidazolium Ylides as Precursors to AnionicN-Heterocyclic Carbene Ligands: Control of Topology and Reactivity","Organometallics","2013","32","6","1988","","10.1021/om400078f","","","1.54176","CuKα","","0.0691","0.0679","","","0.1876","0.1894","","","","","","1.034","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4080552","10.3921","0.0016","10.4385","0.0016","11.108","0.0017","101.011","0.004","109.771","0.004","98.455","0.005","1083.5","0.3","130","2","130","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C46 H52 Ag2 N6 O2 -","- C46 H52 Ag2 N6 O2 -","- C46 H52 Ag2 N6 O2 -","1","0.5","","Guernon, Hannah; Legault, Claude Y.","N-Acyliminoimidazolium Ylides as Precursors to AnionicN-Heterocyclic Carbene Ligands: Control of Topology and Reactivity","Organometallics","2013","32","6","1988","","10.1021/om400078f","","x-ray","1.54186","CuKα","","0.0603","0.0326","","","0.0892","0.0998","","","","","","1.063","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080553","10.2696","0.0002","21.474","0.0005","14.6214","0.0003","90","","91.157","0.002","90","","3223.79","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Cl3 F6 N6 Ni O2 -","- C29 H27 Cl3 F6 N6 Ni O2 -","- C116 H108 Cl12 F24 N24 Ni4 O8 -","4","1","","Guernon, Hannah; Legault, Claude Y.","N-Acyliminoimidazolium Ylides as Precursors to AnionicN-Heterocyclic Carbene Ligands: Control of Topology and Reactivity","Organometallics","2013","32","6","1988","","10.1021/om400078f","","","1.54186","CuKα","","0.0681","0.0621","","","0.1466","0.1498","","","","","","1.141","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080554","24.3876","0.0013","8.4057","0.0004","14.9834","0.0008","90","","112.045","0.002","90","","2847","0.3","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 F3 N3 O -","- C14 H14 F3 N3 O -","- C112 H112 F24 N24 O8 -","8","1","","Guernon, Hannah; Legault, Claude Y.","N-Acyliminoimidazolium Ylides as Precursors to AnionicN-Heterocyclic Carbene Ligands: Control of Topology and Reactivity","Organometallics","2013","32","6","1988","","10.1021/om400078f","","x-ray","1.54178","CuKα","","0.068","0.0674","","","0.2021","0.2023","","","","","","1.103","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080555","16.8528","0.0006","16.931","0.0006","23.3849","0.0009","90","","97.456","0.002","90","","6616.1","0.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C304 H304 N48 O16 -","16","4","","Guernon, Hannah; Legault, Claude Y.","N-Acyliminoimidazolium Ylides as Precursors to AnionicN-Heterocyclic Carbene Ligands: Control of Topology and Reactivity","Organometallics","2013","32","6","1988","","10.1021/om400078f","","","1.54178","CuKα","","0.059","0.0586","","","0.1505","0.1507","","","","","","1.139","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080556","25.876","0.002","5.8528","0.0004","19.8475","0.0016","90","","124.934","0.009","90","","2464.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 F3 I N3 O -","- C9 H11 F3 I N3 O -","- C72 H88 F24 I8 N24 O8 -","8","1","","Guernon, Hannah; Legault, Claude Y.","N-Acyliminoimidazolium Ylides as Precursors to AnionicN-Heterocyclic Carbene Ligands: Control of Topology and Reactivity","Organometallics","2013","32","6","1988","","10.1021/om400078f","","","1.54178","CuKα","","0.0927","0.0844","","","0.2026","0.2177","","","","","","1.044","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080557","12.184","0.0008","14.951","0.0016","27.754","0.003","90","","90","","90","","5055.8","0.8","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 Cl4 Ge2 N2 O -","- C20 H26 Cl4 Ge2 N2 O -","- C160 H208 Cl32 Ge16 N16 O8 -","8","1","","Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Stabilization of Three-Coordinated Germanium(II) and Tin(II) Cations by a Neutral Chelating Ligand","Organometallics","2013","32","6","1995","","10.1021/om400082t","","","0.71073","MoKα","","0.0938","0.0593","","","0.1056","0.1275","","","","","","1.121","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080558","10.571","0.0005","15.312","0.0012","20.462","0.003","90","","102.694","0.006","90","","3231.1","0.6","150","1","150","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H27 Br4 Cl3 N2 O Sn -","- C21 H27 Br4 Cl3 N2 O Sn -","- C84 H108 Br16 Cl12 N8 O4 Sn4 -","4","2","","Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman","Stabilization of Three-Coordinated Germanium(II) and Tin(II) Cations by a Neutral Chelating Ligand","Organometallics","2013","32","6","1995","","10.1021/om400082t","","","0.71073","MoKα","","0.1233","0.0774","","","0.1738","0.2165","","","","","","1.158","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080559","8.1657","0.0003","21.52","0.0009","27.9068","0.001","90","","92.9124","0.001","90","","4897.6","0.3","198","","198","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C76.75 H117.5 Cl21.5 Mo4 P4 Zr2 -","- C76.75 H116 Cl21.5 Mo4 P4 Zr2 -","- C153.5 H232 Cl43 Mo8 P8 Zr4 -","2","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.1283","","","","0.2088","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080560","8.1877","0.0003","21.5572","0.0006","27.9565","0.0007","90","","92.904","0.0008","90","","4928.1","0.3","198","","198","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38.25 H58.5 Cl10.5 Hf Mo2 P2 -","- C38.25 H58.5 Cl10.5 Hf Mo2 P2 -","- C153 H234 Cl42 Hf4 Mo8 P8 -","4","2","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.096","","","","0.1943","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080561","8.1693","0.0003","21.5637","0.0008","27.973","0.001","90","","93.021","0.0012","90","","4920.9","0.3","173.1","","173.1","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38.5 H59 Cl11 P2 W2 Zr -","- C38.5 H59 Cl11 P2 W2 Zr -","- C154 H236 Cl44 P8 W8 Zr4 -","4","2","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.056","","","","0.1403","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080562","11.6018","0.0004","13.6568","0.0006","20.1047","0.0006","90","","90","","90","","3185.5","0.2","173.1","","173.1","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Cl4 Mo P2 Zr -","- C28 H43 Cl4 Mo P2 Zr -","- C112 H172 Cl16 Mo4 P8 Zr4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.0315","","","","0.0671","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080563","10.4206","0.0005","11.3899","0.0005","14.6949","0.0006","102.407","0.0013","105.36","0.0014","97.6556","0.0014","1608.73","0.12","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H46 Cl3 Mo P2 Zr -","- C31 H41 Cl3 Mo P2 Zr -","- C62 H82 Cl6 Mo2 P4 Zr2 -","2","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.0512","","","","0.1007","","","","","","1","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080564","10.5004","0.0004","11.3631","0.0005","14.6128","0.0006","102.802","0.0011","105.973","0.0012","96.713","0.001","1604.88","0.12","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H46 Cl3 Hf Mo P2 -","- C31 H46 Cl3 Hf Mo P2 -","- C62 H92 Cl6 Hf2 Mo2 P4 -","2","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.049","","","","0.1043","","","","","","1","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080565","10.2774","0.0006","11.3357","0.0006","15.0666","0.001","101.389","0.002","100.691","0.0019","103.736","0.002","1620.96","0.17","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C31.5 H47 Cl3 P2 W Zr -","- C31.5 H43 Cl3 P2 W Zr -","- C63 H86 Cl6 P4 W2 Zr2 -","2","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.1058","","","","0.1937","","","","","","0.892","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080566","33.5527","0.0008","14.4432","0.0003","12.7234","0.0003","90","","90","","90","","6165.9","0.2","93","","93","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C60 H55 B Cl2 F24 Mo P2 Zr -","- C60 H55 B Cl2 F24 Mo P2 Zr -","- C240 H220 B4 Cl8 F96 Mo4 P8 Zr4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.0458","","","","0.0991","","","","","","1","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080567","9.34028","0.00017","19.5084","0.0004","18.0472","0.0004","90","","90.4352","0.0007","90","","3288.36","0.12","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cl Mo P2 Zr -","- C32 H52 Cl Mo P2 Zr -","- C128 H208 Cl4 Mo4 P8 Zr4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.0221","","","","0.0553","","","","","","1","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080568","9.3302","0.0003","19.5282","0.0005","18.0595","0.0005","90","","90.5325","0.0007","90","","3290.34","0.16","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cl Hf Mo P2 -","- C32 H52 Cl Hf Mo P2 -","- C128 H208 Cl4 Hf4 Mo4 P8 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.0174","","","","0.0406","","","","","","1","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080569","9.37363","0.00017","19.5702","0.0004","18.1036","0.0004","90","","90.2967","0.0007","90","","3320.95","0.12","198","","198","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cl P2 W Zr -","- C32 H52 Cl P2 W Zr -","- C128 H208 Cl4 P8 W4 Zr4 -","4","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.0214","","","","0.0433","","","","","","1","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080570","11.4654","0.0004","12.6094","0.0005","13.8707","0.0005","111.308","0.0008","92.521","0.0009","101.446","0.001","1816.21","0.12","198","","198","","","","","","","","","6","P -1","-P 1","2","","","","- C35 H59 Cl2 Mo P2 Zr -","- C35 H47 Cl2 Mo P2 Zr -","- C70 H94 Cl4 Mo2 P4 Zr2 -","2","1","","Miyazaki, Takamasa; Tanabe, Yoshiaki; Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis, Structure, and Reactivity of Group VI Metal Complexes Bearing Group IV Metallocenyldiphosphine Moieties and a Pentamethylcyclopentadienyl Ligand","Organometallics","2013","32","6","2007","","10.1021/om400088d","","","0.71075","MoKα","","","0.06","","","","0.1312","","","","","","1","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080571","8.3991","0.0009","15.8","0.0011","17.0948","0.0018","90","","100.741","0.012","90","","2228.8","0.4","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cl2 N3 O3 Pt -","- C21 H21 Cl2 N3 O3 Pt -","- C84 H84 Cl8 N12 O12 Pt4 -","4","1","","Bette, Martin; Kluge, Tim; Schmidt, Jürgen; Steinborn, Dirk","Diacetylplatinum(II) Complexes with κ2-Coordinated Tris(pyridyl)methanol and Tris(pyridyl)methyl Ether Ligands: Structural Insight into the Ligand Dynamics in Solution","Organometallics","2013","32","7","2216","","10.1021/om400091h","","","0.71073","MoKα","","0.0393","0.0312","","","0.0551","0.0572","","","","","","0.978","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080572","8.1635","0.0003","13.7797","0.0006","17.865","0.0007","90","","90","","90","","2009.64","0.14","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N3 O3 Pt -","- C21 H21 N3 O3 Pt -","- C84 H84 N12 O12 Pt4 -","4","1","","Bette, Martin; Kluge, Tim; Schmidt, Jürgen; Steinborn, Dirk","Diacetylplatinum(II) Complexes with κ2-Coordinated Tris(pyridyl)methanol and Tris(pyridyl)methyl Ether Ligands: Structural Insight into the Ligand Dynamics in Solution","Organometallics","2013","32","7","2216","","10.1021/om400091h","","","0.71073","MoKα","","0.0349","0.0293","","","0.0546","0.0558","","","","","","1.037","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080573","8.2151","0.0007","13.9315","0.001","18.5456","0.0017","90","","90","","90","","2122.5","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O3 Pt -","- C22 H23 N3 O3 Pt -","- C88 H92 N12 O12 Pt4 -","4","1","","Bette, Martin; Kluge, Tim; Schmidt, Jürgen; Steinborn, Dirk","Diacetylplatinum(II) Complexes with κ2-Coordinated Tris(pyridyl)methanol and Tris(pyridyl)methyl Ether Ligands: Structural Insight into the Ligand Dynamics in Solution","Organometallics","2013","32","7","2216","","10.1021/om400091h","","","0.71073","MoKα","","0.028","0.025","","","0.0562","0.057","","","","","","1.046","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080574","14.315","0.003","10.7222","0.0011","16.602","0.002","90","","108.82","0.02","90","","2412","0.7","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 N3 O3 Pt -","- C27 H25 N3 O3 Pt -","- C108 H100 N12 O12 Pt4 -","4","1","","Bette, Martin; Kluge, Tim; Schmidt, Jürgen; Steinborn, Dirk","Diacetylplatinum(II) Complexes with κ2-Coordinated Tris(pyridyl)methanol and Tris(pyridyl)methyl Ether Ligands: Structural Insight into the Ligand Dynamics in Solution","Organometallics","2013","32","7","2216","","10.1021/om400091h","","","0.71073","MoKα","","0.0439","0.0317","","","0.0729","0.0768","","","","","","1.01","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080575","14.146","0.009","11.768","0.007","7.447","0.005","90","","90","","90","","1239.7","1.4","291","2","291","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C2 H12 B10 S3 -","- C2 H12 B10 S3 -","- C8 H48 B40 S12 -","4","0.5","","Zhang, Xiaolei; Tang, Xiao; Yang, Jiajia; Li, Yizhi; Yan, Hong; Bregadze, Vladimir I.","Boron-Substitutedo-Carboranetrithiol To Construct Trimeric Cobalt Clusters","Organometallics","2013","32","6","2014","","10.1021/om400097m","","","0.71073","MoKα","","0.0854","0.054","","","0.091","0.0985","","","","","","1.161","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080576","9.136","0.003","11.886","0.004","21.283","0.008","90","","90","","90","","2311.1","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 B10 Co3 S3 -","- C17 H24 B10 Co3 S3 -","- C68 H96 B40 Co12 S12 -","4","1","","Zhang, Xiaolei; Tang, Xiao; Yang, Jiajia; Li, Yizhi; Yan, Hong; Bregadze, Vladimir I.","Boron-Substitutedo-Carboranetrithiol To Construct Trimeric Cobalt Clusters","Organometallics","2013","32","6","2014","","10.1021/om400097m","","","0.71073","MoKα","","0.0962","0.0609","","","0.1354","0.1481","","","","","","1.01","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080577","10.144","0.005","9.361","0.004","29.836","0.014","90","","93.618","0.008","90","","2828","2","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 B10 Co3 F6 P S3 -","- C17 H24 B10 Co3 F6 P S3 -","- C68 H96 B40 Co12 F24 P4 S12 -","4","1","","Zhang, Xiaolei; Tang, Xiao; Yang, Jiajia; Li, Yizhi; Yan, Hong; Bregadze, Vladimir I.","Boron-Substitutedo-Carboranetrithiol To Construct Trimeric Cobalt Clusters","Organometallics","2013","32","6","2014","","10.1021/om400097m","","","0.71073","MoKα","","0.0544","0.0435","","","0.0796","0.0821","","","","","","1.189","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080578","20.566","0.003","9.9052","0.0013","13.655","0.0017","90","","91.974","0.002","90","","2780","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 B18 Co2 S4 -","- C14 H30 B18 Co2 S4 -","- C56 H120 B72 Co8 S16 -","4","1","","Zhang, Xiaolei; Tang, Xiao; Yang, Jiajia; Li, Yizhi; Yan, Hong; Bregadze, Vladimir I.","Boron-Substitutedo-Carboranetrithiol To Construct Trimeric Cobalt Clusters","Organometallics","2013","32","6","2014","","10.1021/om400097m","","","0.71073","MoKα","","0.0729","0.0607","","","0.155","0.1612","","","","","","1.07","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080579","10.0359","0.0006","11.6546","0.0008","20.5907","0.0013","95.855","0.001","90.204","0.001","112.873","0.001","2205","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H64 N3 O2 Y -","- C51 H64 N3 O2 Y -","- C102 H128 N6 O4 Y2 -","2","1","","Karpov, Alexander A.; Cherkasov, Anton V.; Fukin, Georgy K.; Shavyrin, Andrei S.; Luconi, Lapo; Giambastiani, Giuliano; Trifonov, Alexander A.","Yttrium Complexes Featuring Different Y‒C Bonds. Comparative Reactivity Studies: Toward Terminal Imido Complexes","Organometallics","2013","32","8","2379","","10.1021/om400099z","","","0.71073","MoKα","","0.0621","0.0423","","","0.0923","0.0978","","","","","","1.017","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080580","10.51965","0.00015","19.8913","0.0004","47.7557","0.0007","90","","90","","90","","9992.9","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H64 N5 S Y -","- C56 H64 N5 S Y -","- C448 H512 N40 S8 Y8 -","8","1","","Karpov, Alexander A.; Cherkasov, Anton V.; Fukin, Georgy K.; Shavyrin, Andrei S.; Luconi, Lapo; Giambastiani, Giuliano; Trifonov, Alexander A.","Yttrium Complexes Featuring Different Y‒C Bonds. Comparative Reactivity Studies: Toward Terminal Imido Complexes","Organometallics","2013","32","8","2379","","10.1021/om400099z","","","0.71073","MoKα","","0.0904","0.0748","","","0.123","0.127","","","","","","1.249","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080581","21.976","0.002","13.4831","0.0013","17.1832","0.0017","90","","104.695","0.002","90","","4924.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H71 N4 S Y -","- C55.5 H71 N4 S Y -","- C222 H284 N16 S4 Y4 -","4","1","","Karpov, Alexander A.; Cherkasov, Anton V.; Fukin, Georgy K.; Shavyrin, Andrei S.; Luconi, Lapo; Giambastiani, Giuliano; Trifonov, Alexander A.","Yttrium Complexes Featuring Different Y‒C Bonds. Comparative Reactivity Studies: Toward Terminal Imido Complexes","Organometallics","2013","32","8","2379","","10.1021/om400099z","","","0.71073","MoKα","","0.1381","0.0692","","","0.1423","0.1613","","","","","","0.982","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080583","16.9665","0.0003","19.4635","0.0003","30.0634","0.0004","90","","90.1406","0.0013","90","","9927.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H68 N5 S Y -","- C55 H68 N5 S Y -","- C440 H544 N40 S8 Y8 -","8","2","","Karpov, Alexander A.; Cherkasov, Anton V.; Fukin, Georgy K.; Shavyrin, Andrei S.; Luconi, Lapo; Giambastiani, Giuliano; Trifonov, Alexander A.","Yttrium Complexes Featuring Different Y‒C Bonds. Comparative Reactivity Studies: Toward Terminal Imido Complexes","Organometallics","2013","32","8","2379","","10.1021/om400099z","","","0.71073","MoKα","","0.1199","0.0677","","","0.1488","0.1695","","","","","","0.964","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080584","7.1509","0.0002","8.5074","0.0002","9.7666","0.0003","78.6786","0.0011","77.2946","0.0011","70.1342","0.0011","540.31","0.03","150","","150","","","","100","","","","SYN","3","P -1","-P 1","2","","","","- C20 H36 Sn2 -","- C20 H36 Sn2 -","- C20 H36 Sn2 -","1","0.5","","Cooper, Robert T.; Chadwick, F. Mark; Ashley, Andrew E.; O’Hare, Dermot","Synthesis and Characterization of Group 4 Permethylpentalene Dichloride Complexes","Organometallics","2013","32","7","2228","","10.1021/om400103g","","","0.71073","MoKα","","0.0391","0.032","","0.0781","0.0703","0.0781","","","","","","0.898","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080585","10.2516","0.0002","15.1798","0.0003","18.8164","0.0003","83.7249","0.0007","75.9084","0.0007","78.9043","0.0008","2780.95","0.09","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H36 Cl4 Ti2 -","- C28 H36 Cl4 Ti2 -","- C112 H144 Cl16 Ti8 -","4","2","","Cooper, Robert T.; Chadwick, F. Mark; Ashley, Andrew E.; O’Hare, Dermot","Synthesis and Characterization of Group 4 Permethylpentalene Dichloride Complexes","Organometallics","2013","32","7","2228","","10.1021/om400103g","","","0.71073","MoKα","","0.0696","0.052","","0.1373","0.1191","0.1373","","","","","","1.0001","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080586","12.285","0.0002","12.7036","0.0002","12.6985","0.0003","90","","102.181","0.0009","90","","1937.15","0.06","150","","150","","","","101","","","","SYN","6","P 1 21 1","P 2yb","4","","","","- C36 H52 Cl5 Li O2 Zr2 -","- C36 H52 Cl5 Li O2 Zr2 -","- C72 H104 Cl10 Li2 O4 Zr4 -","2","1","","Cooper, Robert T.; Chadwick, F. Mark; Ashley, Andrew E.; O’Hare, Dermot","Synthesis and Characterization of Group 4 Permethylpentalene Dichloride Complexes","Organometallics","2013","32","7","2228","","10.1021/om400103g","","","0.71073","MoKα","","0.0505","0.0405","","0.1022","0.0894","0.1022","","","","","","0.9233","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080587","12.262","0.0001","12.6405","0.0002","12.6817","0.0002","90","","102.117","0.0005","90","","1921.85","0.05","150","","150","","","","101","","","","SYN","6","P 1 21 1","P 2yb","4","","","","- C36 H52 Cl5 Hf2 Li O2 -","- C36 H52 Cl5 Hf2 Li O2 -","- C72 H104 Cl10 Hf4 Li2 O4 -","2","1","","Cooper, Robert T.; Chadwick, F. Mark; Ashley, Andrew E.; O’Hare, Dermot","Synthesis and Characterization of Group 4 Permethylpentalene Dichloride Complexes","Organometallics","2013","32","7","2228","","10.1021/om400103g","","","0.71073","MoKα","","0.0251","0.025","","0.0624","0.0621","0.0624","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080588","9.8963","0.0004","11.8911","0.0006","12.3316","0.0006","85.551","0.002","89.254","0.002","67.831","0.002","1339.62","0.11","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 O11 P W2 -","- C24 H15 O11 P W2 -","- C48 H30 O22 P2 W4 -","2","1","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","The Original Reactivity of a Phosphole-Substituted Fischer Carbene Complex","Organometallics","2013","32","8","2287","","10.1021/om400109h","","","0.71073","MoKα","","0.0409","0.0361","","","0.08","0.0826","","","","","","1.204","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080589","12.8473","0.001","10.3999","0.0009","15.6057","0.0013","90","","105.103","0.002","90","","2013.1","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 O7 P W -","- C19 H15 O7 P W -","- C76 H60 O28 P4 W4 -","4","1","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","The Original Reactivity of a Phosphole-Substituted Fischer Carbene Complex","Organometallics","2013","32","8","2287","","10.1021/om400109h","","","0.71073","MoKα","","0.0313","0.0257","","","0.0601","0.0619","","","","","","1.08","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080590","23.05","0.0013","10.6336","0.0005","31.9768","0.0019","90","","106.282","0.002","90","","7523.3","0.7","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 O6 P W -","- C18 H13 O6 P W -","- C288 H208 O96 P16 W16 -","16","4","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","The Original Reactivity of a Phosphole-Substituted Fischer Carbene Complex","Organometallics","2013","32","8","2287","","10.1021/om400109h","","","0.71073","MoKα","","0.1034","0.0534","","","0.1024","0.129","","","","","","1.057","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080591","12.4421","0.0003","15.0036","0.0004","14.0515","0.0004","90","","99.835","0.001","90","","2584.53","0.12","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 O6 P W -","- C27 H23 O6 P W -","- C108 H92 O24 P4 W4 -","4","1","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","The Original Reactivity of a Phosphole-Substituted Fischer Carbene Complex","Organometallics","2013","32","8","2287","","10.1021/om400109h","","","0.71073","MoKα","","0.0274","0.0206","","","0.0418","0.0437","","","","","","1.035","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080592","8.3349","0.0012","17.001","0.002","18.996","0.003","90","","90","","90","","2691.8","0.7","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 B F4 N2 Pd S -","- C28 H29 B F4 N2 Pd S -","- C112 H116 B4 F16 N8 Pd4 S4 -","4","1","","Krishnan, Deepa; Wu, Meiyi; Chiang, Minyi; Li, Yongxin; Leung, Pak-Hing; Pullarkat, Sumod A.","N-Heterocyclic Carbene C,S Palladium(II) π-Allyl Complexes: Synthesis, Characterization, and Catalytic Application In Allylic Amination Reactions","Organometallics","2013","32","8","2389","","10.1021/om400110t","","","0.71073","MoKα","","0.0866","0.0611","","","0.149","0.1691","","","","","","1.137","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080593","10.0663","0.0006","14.9463","0.0011","16.7885","0.0012","96.048","0.006","90.55","0.005","99.252","0.005","2478.3","0.3","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 Fe N O P -","- C31 H30 Fe N O P -","- C124 H120 Fe4 N4 O4 P4 -","4","2","","Madalska, Martyna; Lönnecke, Peter; Hey-Hawkins, Evamarie","1,2-Disubstituted Aryl-Based Ferrocenyl Phosphines","Organometallics","2013","32","6","2019","","10.1021/om400117n","","","0.71073","MoKα","","0.1227","0.0598","","","0.1132","0.1259","","","","","","0.935","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080594","15.3927","0.0002","12.8996","0.0002","12.8858","0.0002","90","","102.034","0.002","90","","2502.37","0.07","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Fe N P S -","- C29 H28 Fe N P S -","- C116 H112 Fe4 N4 P4 S4 -","4","1","","Madalska, Martyna; Lönnecke, Peter; Hey-Hawkins, Evamarie","1,2-Disubstituted Aryl-Based Ferrocenyl Phosphines","Organometallics","2013","32","6","2019","","10.1021/om400117n","","","0.71073","MoKα","","0.053","0.0365","","","0.0743","0.0809","","","","","","1.027","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080595","9.4842","0.0009","12.8512","0.0012","22.654","0.002","81.326","0.007","82.564","0.008","71.866","0.009","2584","0.4","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 Fe N P -","- C31 H30 Fe N P -","- C124 H120 Fe4 N4 P4 -","4","2","","Madalska, Martyna; Lönnecke, Peter; Hey-Hawkins, Evamarie","1,2-Disubstituted Aryl-Based Ferrocenyl Phosphines","Organometallics","2013","32","6","2019","","10.1021/om400117n","","","0.71073","MoKα","","0.1318","0.0684","","","0.1295","0.1582","","","","","","0.989","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080596","9.792","0.005","13.836","0.007","15.372","0.002","102.61","0.02","100.73","0.019","96.66","0.03","1970","1.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H43 N O2 Si2 Sn -","- C45 H43 N O2 Si2 Sn -","- C90 H86 N2 O4 Si4 Sn2 -","2","1","","Padělková, Zdeňka; Švec, Petr; Kampová, Hana; Sýkora, Jan; Semler, Miloslav; Štěpnička, Petr; Bakardjieva, Snejana; Willem, Rudolph; Růžička, Aleš","Unusual Reactivity of a C,N-Chelated Stannylene with Siloxanes and Silanols","Organometallics","2013","32","8","2398","","10.1021/om400123y","","","0.71073","MoKα","","0.0843","0.0521","","","0.1068","0.1206","","","","","","1.045","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080597","9.9502","0.001","14.2312","0.001","23.4769","0.0019","75.928","0.009","87.302","0.009","76.82","0.006","3139.6","0.5","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C75 H71 N O3 Si3 Sn -","- C75 H71 N O3 Si3 Sn -","- C150 H142 N2 O6 Si6 Sn2 -","2","1","","Padělková, Zdeňka; Švec, Petr; Kampová, Hana; Sýkora, Jan; Semler, Miloslav; Štěpnička, Petr; Bakardjieva, Snejana; Willem, Rudolph; Růžička, Aleš","Unusual Reactivity of a C,N-Chelated Stannylene with Siloxanes and Silanols","Organometallics","2013","32","8","2398","","10.1021/om400123y","","","0.71073","MoKα","","0.0484","0.0329","","","0.0621","0.0678","","","","","","1.065","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080598","12.7452","0.0012","13.6259","0.0005","13.8621","0.0012","113.392","0.004","113.727","0.006","92.396","0.005","1963.7","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H43 N O2 Si2 Sn -","- C45 H43 N O2 Si2 Sn -","- C90 H86 N2 O4 Si4 Sn2 -","2","1","","Padělková, Zdeňka; Švec, Petr; Kampová, Hana; Sýkora, Jan; Semler, Miloslav; Štěpnička, Petr; Bakardjieva, Snejana; Willem, Rudolph; Růžička, Aleš","Unusual Reactivity of a C,N-Chelated Stannylene with Siloxanes and Silanols","Organometallics","2013","32","8","2398","","10.1021/om400123y","","","0.71073","MoKα","","0.0615","0.0405","","","0.075","0.0831","","","","","","1.096","","","","has coordinates","178694","2020-10-21","18:00:00",""
"4080599","17.7321","0.0013","8.9551","0.0005","21.8382","0.0018","90","","102.76","0.006","90","","3382.1","0.4","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H39 Cl N2 O2 Si Sn -","- C36 H39 Cl N2 O2 Si Sn -","- C144 H156 Cl4 N8 O8 Si4 Sn4 -","4","1","","Padělková, Zdeňka; Švec, Petr; Kampová, Hana; Sýkora, Jan; Semler, Miloslav; Štěpnička, Petr; Bakardjieva, Snejana; Willem, Rudolph; Růžička, Aleš","Unusual Reactivity of a C,N-Chelated Stannylene with Siloxanes and Silanols","Organometallics","2013","32","8","2398","","10.1021/om400123y","","","0.71073","MoKα","","0.1209","0.0942","","","0.2147","0.2295","","","","","","1.16","","","","has coordinates,has disorder","178694","2020-10-21","18:00:00",""
"4080600","21.3369","0.0006","14.7821","0.001","12.528","0.0011","90","","90","","90","","3951.4","0.5","150","2","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38 H54 N4 O3 Si Sn2 -","- C38 H54 N4 O3 Si Sn2 -","- C152 H216 N16 O12 Si4 Sn8 -","4","1","","Padělková, Zdeňka; Švec, Petr; Kampová, Hana; Sýkora, Jan; Semler, Miloslav; Štěpnička, Petr; Bakardjieva, Snejana; Willem, Rudolph; Růžička, Aleš","Unusual Reactivity of a C,N-Chelated Stannylene with Siloxanes and Silanols","Organometallics","2013","32","8","2398","","10.1021/om400123y","","","0.71073","MoKα","","0.0604","0.0359","","","0.059","0.0662","","","","","","1.053","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080601","10.5139","0.0004","13.8582","0.0007","20.0299","0.0011","90","","118.326","0.004","90","","2569","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 N2 O4 Si2 Sn -","- C22 H36 N2 O4 Si2 Sn -","- C88 H144 N8 O16 Si8 Sn4 -","4","1","","Padělková, Zdeňka; Švec, Petr; Kampová, Hana; Sýkora, Jan; Semler, Miloslav; Štěpnička, Petr; Bakardjieva, Snejana; Willem, Rudolph; Růžička, Aleš","Unusual Reactivity of a C,N-Chelated Stannylene with Siloxanes and Silanols","Organometallics","2013","32","8","2398","","10.1021/om400123y","","","0.71073","MoKα","","0.0884","0.0441","","","0.0658","0.0774","","","","","","1.031","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080602","10.4833","0.0002","11.1755","0.0002","17.2569","0.0003","94.827","0.002","99.635","0.002","106.361","0.002","1894.01","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[K-(18-crown-6)(THF)2][P3C2Ph2]","","- C34 H50 K O8 P3 -","- C34 H50 K O8 P3 -","- C68 H100 K2 O16 P6 -","2","1","","Turbervill, Robert S. P.; Jupp, Andrew R.; McCullough, Phillip S. B.; Ergöçmen, Doruk; Goicoechea, Jose M.","Synthesis and Characterization of Free and Coordinated 1,2,3-Tripnictolide Anions","Organometallics","2013","32","7","2234","","10.1021/om4001296","","","1.54178","CuKα","","0.0372","0.0357","","","0.0915","0.093","","","","","","1.031","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080603","11.4018","0.0001","17.311","0.0002","18.7984","0.0003","90","","101.123","0.001","90","","3640.67","0.08","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[K(2,2,2-crypt)][As3C2Ph2]","","- C32 H46 As3 K N2 O6 -","- C32 H46 As3 K N2 O6 -","- C128 H184 As12 K4 N8 O24 -","4","1","","Turbervill, Robert S. P.; Jupp, Andrew R.; McCullough, Phillip S. B.; Ergöçmen, Doruk; Goicoechea, Jose M.","Synthesis and Characterization of Free and Coordinated 1,2,3-Tripnictolide Anions","Organometallics","2013","32","7","2234","","10.1021/om4001296","","","0.71073","MoKα","","0.039","0.0363","","","0.0888","0.0912","","","","","","1.037","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080604","20.5579","0.0001","21.2058","0.0001","19.8422","0.0002","90","","115.888","0.001","90","","7782.09","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[K(2,2,2-crypt)][As3C2Ph2]*0.5THF","","- C34 H50 As3 K N2 O6.5 -","- C34 H50 As3 K N2 O6.5 -","- C272 H400 As24 K8 N16 O52 -","8","2","","Turbervill, Robert S. P.; Jupp, Andrew R.; McCullough, Phillip S. B.; Ergöçmen, Doruk; Goicoechea, Jose M.","Synthesis and Characterization of Free and Coordinated 1,2,3-Tripnictolide Anions","Organometallics","2013","32","7","2234","","10.1021/om4001296","","","0.71073","MoKα","","0.0623","0.0381","","","0.0776","0.0872","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080605","8.0614","0.0002","10.1857","0.0002","19.1222","0.0004","94.17","0.002","96.314","0.002","106.266","0.002","1489.31","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[K(18-crown-6)][As3C2PhH]*THF","","- C24 H38 As3 K O7 -","- C24 H38 As3 K O7 -","- C48 H76 As6 K2 O14 -","2","1","","Turbervill, Robert S. P.; Jupp, Andrew R.; McCullough, Phillip S. B.; Ergöçmen, Doruk; Goicoechea, Jose M.","Synthesis and Characterization of Free and Coordinated 1,2,3-Tripnictolide Anions","Organometallics","2013","32","7","2234","","10.1021/om4001296","","","1.54184","CuKα","","0.0269","0.0261","","","0.0708","0.0717","","","","","","1.05","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080606","8.8345","0.0001","16.4513","0.0002","16.9233","0.0002","90","","96.796","0.001","90","","2442.33","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[K(18-crown-6)][(eta5-P3C2H2)Mo(CO)3]","","- C17 H26 K Mo O9 P3 -","- C17 H26 K Mo O9 P3 -","- C68 H104 K4 Mo4 O36 P12 -","4","1","","Turbervill, Robert S. P.; Jupp, Andrew R.; McCullough, Phillip S. B.; Ergöçmen, Doruk; Goicoechea, Jose M.","Synthesis and Characterization of Free and Coordinated 1,2,3-Tripnictolide Anions","Organometallics","2013","32","7","2234","","10.1021/om4001296","","","0.71073","MoKα","","0.0511","0.0327","","","0.0702","0.0773","","","","","","1.008","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080607","8.8791","0.0001","16.5362","0.0002","17.0138","0.0002","90","","96.747","0.001","90","","2480.78","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[K(18-crown-6)][(eta5-As3C2H2)Mo(CO)3]","","- C17 H26 As3 K Mo O9 -","- C17 H26 As3 K Mo O9 -","- C68 H104 As12 K4 Mo4 O36 -","4","1","","Turbervill, Robert S. P.; Jupp, Andrew R.; McCullough, Phillip S. B.; Ergöçmen, Doruk; Goicoechea, Jose M.","Synthesis and Characterization of Free and Coordinated 1,2,3-Tripnictolide Anions","Organometallics","2013","32","7","2234","","10.1021/om4001296","","","0.71073","MoKα","","0.0486","0.0327","","","0.0714","0.0764","","","","","","1.045","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080608","10.3755","0.0004","10.8188","0.0004","17.8646","0.0006","78.429","0.003","79.284","0.003","73.683","0.003","1867.43","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[K(18-crown-6)(THF)][Mo(P3C2Ph2)(CO)3]","","- C33 H42 K Mo O10 P3 -","- C33 H42 K Mo O10 P3 -","- C66 H84 K2 Mo2 O20 P6 -","2","1","","Turbervill, Robert S. P.; Jupp, Andrew R.; McCullough, Phillip S. B.; Ergöçmen, Doruk; Goicoechea, Jose M.","Synthesis and Characterization of Free and Coordinated 1,2,3-Tripnictolide Anions","Organometallics","2013","32","7","2234","","10.1021/om4001296","","","1.54178","CuKα","","0.0257","0.0236","","","0.0591","0.0609","","","","","","1.012","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080609","10.9027","0.0002","37.5485","0.0005","20.3109","0.0003","90","","92.785","0.001","90","","8305.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[K(2,2,2-crypt)][Mo(As3C2Ph2)(CO)3]","","- C35 H46 As3 K Mo N2 O9 -","- C35 H46 As3 K Mo N2 O9 -","- C280 H368 As24 K8 Mo8 N16 O72 -","8","2","","Turbervill, Robert S. P.; Jupp, Andrew R.; McCullough, Phillip S. B.; Ergöçmen, Doruk; Goicoechea, Jose M.","Synthesis and Characterization of Free and Coordinated 1,2,3-Tripnictolide Anions","Organometallics","2013","32","7","2234","","10.1021/om4001296","","","1.54178","CuKα","","0.0293","0.0259","","","0.0591","0.0612","","","","","","1.071","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080610","8.5753","0.0003","10.9107","0.0004","16.9299","0.0004","97.171","0.003","102.873","0.003","102.459","0.003","1482.75","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[K(18-crown-6)][Mo(As3C2HPh)(CO)3]","","- C23 H30 As3 K Mo O9 -","- C23 H30 As3 K Mo O9 -","- C46 H60 As6 K2 Mo2 O18 -","2","1","","Turbervill, Robert S. P.; Jupp, Andrew R.; McCullough, Phillip S. B.; Ergöçmen, Doruk; Goicoechea, Jose M.","Synthesis and Characterization of Free and Coordinated 1,2,3-Tripnictolide Anions","Organometallics","2013","32","7","2234","","10.1021/om4001296","","","1.54178","CuKα","","0.0354","0.0335","","","0.0866","0.088","","","","","","1.127","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080611","24.203","0.003","9.25","0.0011","24.86","0.003","90","","94.039","0.002","90","","5551.8","1.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 Ge2 -","- C30 H42 Ge2 -","- C240 H336 Ge16 -","8","2","","Schrick, Erin K.; Forget, Trevor J.; Roewe, Kimberly D.; Schrick, Aaron C.; Moore, Curtis E.; Golen, James A.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Substituent Effects in Digermanes: Electrochemical, Theoretical, and Structural Investigations","Organometallics","2013","32","7","2245","","10.1021/om400132z","","","0.71073","MoKα","","0.0766","0.0441","","","0.0778","0.0904","","","","","","1.021","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080612","8.2473","0.0008","9.8391","0.001","15.0469","0.0013","87.343","0.005","85.481","0.005","65.243","0.005","1105.21","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H30 Ge2 -","- C24 H30 Ge2 -","- C48 H60 Ge4 -","2","1","","Schrick, Erin K.; Forget, Trevor J.; Roewe, Kimberly D.; Schrick, Aaron C.; Moore, Curtis E.; Golen, James A.; Rheingold, Arnold L.; Materer, Nicholas F.; Weinert, Charles S.","Substituent Effects in Digermanes: Electrochemical, Theoretical, and Structural Investigations","Organometallics","2013","32","7","2245","","10.1021/om400132z","","","0.71073","MoKα","","0.0293","0.0222","","","0.0518","0.0544","","","","","","1.039","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080613","9.5872","0.0004","18.1276","0.0009","30.2789","0.0014","90","","96.777","0.001","90","","5225.5","0.4","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H8 Cu Ir4 N O11 -","- C19 H8 Cu Ir4 N O11 -","- C152 H64 Cu8 Ir32 N8 O88 -","8","2","","Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Yang, Xinzheng; Zhang, Qiang","Semibridging Phenyl Ligands in Iridium‒Copper and Iridium‒Silver Cluster Compounds: Synthesis, Structures, and Bonding","Organometallics","2013","32","8","2416","","10.1021/om400133w","","","0.71073","MoKα","","0.0437","0.033","","","0.0823","0.089","","","","","","1.022","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080614","9.4395","0.001","12.3182","0.0013","13.4671","0.0015","110.465","0.002","95.102","0.002","108.783","0.002","1352.6","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H13 Ag0.5 Ir4 N0.5 O11 -","- C20 H13 Ag0.5 Ir4 N0.5 O11 -","- C40 H26 Ag Ir8 N O22 -","2","1","","Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Yang, Xinzheng; Zhang, Qiang","Semibridging Phenyl Ligands in Iridium‒Copper and Iridium‒Silver Cluster Compounds: Synthesis, Structures, and Bonding","Organometallics","2013","32","8","2416","","10.1021/om400133w","","","0.71073","MoKα","","0.059","0.0471","","","0.1417","0.1493","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080615","9.1167","0.0014","14.12","0.002","17.939","0.003","85.205","0.003","87.131","0.003","80.804","0.003","2270","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H10 Ag2 Ir8 O22 -","- C34 H10 Ag2 Ir8 O22 -","- C68 H20 Ag4 Ir16 O44 -","2","1","","Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Yang, Xinzheng; Zhang, Qiang","Semibridging Phenyl Ligands in Iridium‒Copper and Iridium‒Silver Cluster Compounds: Synthesis, Structures, and Bonding","Organometallics","2013","32","8","2416","","10.1021/om400133w","","","0.71073","MoKα","","0.1124","0.0679","","","0.1593","0.1839","","","","","","0.981","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080616","8.4194","0.0006","11.4307","0.0008","13.5542","0.0009","90","","99.755","0.001","90","","1285.59","0.15","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H8 Ag Ir4 N O11 -","- C19 H8 Ag Ir4 N O11 -","- C38 H16 Ag2 Ir8 N2 O22 -","2","1","","Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Yang, Xinzheng; Zhang, Qiang","Semibridging Phenyl Ligands in Iridium‒Copper and Iridium‒Silver Cluster Compounds: Synthesis, Structures, and Bonding","Organometallics","2013","32","8","2416","","10.1021/om400133w","","","0.71073","MoKα","","0.0406","0.0396","","","0.1115","0.1125","","","","","","1.026","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080617","9.6558","0.0004","12.818","0.0006","15.6027","0.0007","92.276","0.001","92.228","0.001","101.404","0.001","1889.34","0.15","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H20 Ag Ir4 O11 P -","- C35 H20 Ag Ir4 O11 P -","- C70 H40 Ag2 Ir8 O22 P2 -","2","1","","Adams, Richard D.; Chen, Mingwei; Elpitiya, Gaya; Yang, Xinzheng; Zhang, Qiang","Semibridging Phenyl Ligands in Iridium‒Copper and Iridium‒Silver Cluster Compounds: Synthesis, Structures, and Bonding","Organometallics","2013","32","8","2416","","10.1021/om400133w","","","0.71073","MoKα","","0.0419","0.0366","","","0.0973","0.1009","","","","","","1.072","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080618","13.8038","0.0004","14.4244","0.0003","17.3556","0.0004","77.532","0.002","87.258","0.002","74.989","0.002","3258.94","0.14","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H38 F6 N4 O6 S2 -","- C31 H38 F6 N4 O6 S2 -","- C124 H152 F24 N16 O24 S8 -","4","2","","Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan","Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities","Organometallics","2013","32","8","2435","","10.1021/om400139s","","","0.71073","MoKα","","0.0951","0.0501","","","","0.164","","","","","","0.927","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080619","13.6733","0.0006","12.188","0.0005","17.95","0.0007","90","","105.722","0.002","90","","2879.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 F6 N4 O6 S2 -","- C25 H30 F6 N4 O6 S2 -","- C100 H120 F24 N16 O24 S8 -","4","1","","Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan","Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities","Organometallics","2013","32","8","2435","","10.1021/om400139s","","","0.71073","MoKα","","0.0445","0.034","","","0.0816","0.0887","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080620","13.8038","0.0004","14.4244","0.0003","17.3556","0.0004","77.532","0.002","87.258","0.002","74.989","0.002","3258.94","0.14","","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H38 F6 N4 O6 S2 -","- C31 H38 F6 N4 O6 S2 -","- C124 H152 F24 N16 O24 S8 -","4","2","","Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan","Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities","Organometallics","2013","32","8","2435","","10.1021/om400139s","","","0.71073","MoKα","","0.0951","0.05","","","","0.1639","","","","","","0.9276","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080621","9.8028","0.0003","11.821","0.0003","13.1591","0.0003","106.495","0.001","94.501","0.001","108.649","0.001","1361.08","0.06","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H33 I2 N5 -","- C25 H33 I2 N5 -","- C50 H66 I4 N10 -","2","1","","Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan","Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities","Organometallics","2013","32","8","2435","","10.1021/om400139s","","","0.71073","MoKα","","0.0235","0.0215","","","0.056","0.0573","","","","","","1.044","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080622","9.1851","0.0004","17.8482","0.0008","17.816","0.0006","90","","101.599","0.003","90","","2861.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cl3 F3 N4 O3 S -","- C25 H30 Cl3 F3 N4 O3 S -","- C100 H120 Cl12 F12 N16 O12 S4 -","4","1","","Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan","Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities","Organometallics","2013","32","8","2435","","10.1021/om400139s","","","0.71073","MoKα","","0.0563","0.0358","","","0.0759","0.0853","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080623","15.1461","0.0008","16.6023","0.0011","7.776","0.0003","90","","90","","90","","1955.35","0.18","100","2","100","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C23 H28 N4 -","- C23 H28 N4 -","- C92 H112 N16 -","4","","","Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan","Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities","Organometallics","2013","32","8","2435","","10.1021/om400139s","","","0.71073","MoKα","","0.1012","0.076","","","0.1986","0.2209","","","","","","1.021","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080624","9.8779","0.0002","23.158","0.0006","10.7976","0.0003","90","","111.841","0.001","90","","2292.68","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 I N4 -","- C24 H31 I N4 -","- C96 H124 I4 N16 -","4","1","","Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan","Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities","Organometallics","2013","32","8","2435","","10.1021/om400139s","","","0.71073","MoKα","","0.0221","0.0193","","","0.0488","0.0506","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080625","21.8209","0.0005","8.8104","0.0003","22.4682","0.0007","90","","106.711","0.002","90","","4137.1","0.2","100","2","100.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N4 -","- C24 H30 N4 -","- C192 H240 N32 -","8","1","","Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan","Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities","Organometallics","2013","32","8","2435","","10.1021/om400139s","","","0.71073","MoKα","","0.0662","0.0421","","","0.0963","0.111","","","","","","0.996","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080626","13.1488","0.0004","9.3115","0.0002","25.2926","0.0009","90","","110.559","0.003","90","","2899.48","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Cl N4 O3 Rh -","- C29 H36 Cl N4 O3 Rh -","- C116 H144 Cl4 N16 O12 Rh4 -","4","1","","Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan","Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities","Organometallics","2013","32","8","2435","","10.1021/om400139s","","","0.71073","MoKα","","0.0594","0.0368","","","0.0637","0.0729","","","","","","1.055","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080627","13.0449","0.0003","10.8494","0.0002","24.8892","0.0005","90","","97.84","0.001","90","","3489.63","0.12","100.15","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cl N4 O2 Rh -","- C38 H44 Cl N4 O2 Rh -","- C152 H176 Cl4 N16 O8 Rh4 -","4","1","","Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan","Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities","Organometallics","2013","32","8","2435","","10.1021/om400139s","","","0.71073","MoKα","","0.0479","0.0365","","","0.09","0.0959","","","","","","1.027","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080628","18.0883","0.0007","9.3309","0.0003","18.826","0.0008","90","","117.989","0.001","90","","2805.81","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Cl3 N4 Pd -","- C27 H35 Cl3 N4 Pd -","- C108 H140 Cl12 N16 Pd4 -","4","1","","Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan","Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities","Organometallics","2013","32","8","2435","","10.1021/om400139s","","","0.71073","MoKα","","0.0939","0.0494","","","0.0918","0.1088","","","","","","1.014","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080629","9.8719","0.0012","12.4986","0.0014","13.3487","0.0017","91.69","0.005","104.044","0.005","101.925","0.004","1557.8","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.24 H24 F8.28 N6 O3.72 P0.76 S2.24 -","- C27.239 H24 F8.283 N6 O3.717 P0.761 S2.239 -","- C54.478 H48 F16.566 N12 O7.434 P1.522 S4.478 -","2","1","","Seitz, Stefanie C.; Rominger, Frank; Straub, Bernd F.","Stepwise Deprotonation of a Thiol-Functionalized Bis(1,2,4-triazolium) Salt as a Selective Route to Heterometallic NHC Complexes","Organometallics","2013","32","8","2427","","10.1021/om400143u","","","0.71073","MoKα","","0.0945","0.0587","","","0.135","0.1534","","","","","","1.032","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080630","22.9642","0.0017","22.856","0.0018","23.8791","0.0019","90","","98.757","0.002","90","","12387.3","1.7","198","2","198","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 Cu2 F12 N14 P2 Pd S2 -","- C56 H52 Cu2 F12 N14 P2 Pd S2 -","- C448 H416 Cu16 F96 N112 P16 Pd8 S16 -","8","1","","Seitz, Stefanie C.; Rominger, Frank; Straub, Bernd F.","Stepwise Deprotonation of a Thiol-Functionalized Bis(1,2,4-triazolium) Salt as a Selective Route to Heterometallic NHC Complexes","Organometallics","2013","32","8","2427","","10.1021/om400143u","","","0.71073","MoKα","","0.0924","0.0561","","","0.1304","0.1557","","","","","","1.012","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080631","13.668","0.003","8.0698","0.0018","14.591","0.003","90","","116.004","0.004","90","","1446.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl2 N2 Pd Se -","- C12 H14 Cl2 N2 Pd Se -","- C48 H56 Cl8 N8 Pd4 Se4 -","4","1","","Sharma, Kamal Nayan; Joshi, Hemant; Sharma, Alpesh K.; Prakash, Om; Singh, Ajai K.","Selenium-Containing N-Heterocyclic Carbenes and Their First Palladium(II) Complexes: Synthesis, Structure, and Pendent Alkyl Chain Length Dependent Catalytic Activity for Suzuki‒Miyaura Coupling","Organometallics","2013","32","8","2443","","10.1021/om400148c","","","0.71073","MoKα","","0.0315","0.028","","","0.0538","0.0549","","","","","","1.123","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080632","18.53","0.006","8.252","0.002","14.644","0.004","90","","106.613","0.006","90","","2145.7","1","195","2","195","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H28 Cl2 N2 Pd Se -","- C19 H28 Cl2 N2 Pd Se -","- C76 H112 Cl8 N8 Pd4 Se4 -","4","1","","Sharma, Kamal Nayan; Joshi, Hemant; Sharma, Alpesh K.; Prakash, Om; Singh, Ajai K.","Selenium-Containing N-Heterocyclic Carbenes and Their First Palladium(II) Complexes: Synthesis, Structure, and Pendent Alkyl Chain Length Dependent Catalytic Activity for Suzuki‒Miyaura Coupling","Organometallics","2013","32","8","2443","","10.1021/om400148c","","","0.71073","MoKα","","0.1158","0.0832","","","0.169","0.184","","","","","","1.058","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080633","9.7515","0.0007","11.4741","0.0008","17.4586","0.0014","90","","90","","90","","1953.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ACD-2","","","- C16 H15 Cl5 N2 O Pd -","- C16 H15 Cl5 N2 O Pd -","- C64 H60 Cl20 N8 O4 Pd4 -","4","1","","De Crisci, Antonio G.; Chung, Kevin; Oliver, Allen G.; Solis-Ibarra, Diego; Waymouth, Robert M.","Chemoselective Oxidation of Polyols with Chiral Palladium Catalysts","Organometallics","2013","32","7","2257","","10.1021/om4001549","","","0.71073","","","0.0148","0.0142","","","0.034","0.0342","","","","","","1.078","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080634","9.4035","0.0004","11.5964","0.0004","17.0774","0.0006","90","","90","","90","","1862.23","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 Cl4 N2 O Pd -","- C14 H20 Cl4 N2 O Pd -","- C56 H80 Cl16 N8 O4 Pd4 -","4","1","","De Crisci, Antonio G.; Chung, Kevin; Oliver, Allen G.; Solis-Ibarra, Diego; Waymouth, Robert M.","Chemoselective Oxidation of Polyols with Chiral Palladium Catalysts","Organometallics","2013","32","7","2257","","10.1021/om4001549","","","1.54178","CuKα","","0.0187","0.0179","","","0.0441","0.0444","","","","","","1.05","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080635","13.9076","0.0008","23.8618","0.0013","22.5455","0.0012","90","","90","","90","","7482","0.7","100","2","100","2","","","","","","","","7","C 2 2 21","C 2c 2","20","PdNeoBoxH","","","- C28 H34 F6 N4 O12 Pd2 S2 -","- C28 H34 F6 N4 O12 Pd2 S2 -","- C224 H272 F48 N32 O96 Pd16 S16 -","8","1","","De Crisci, Antonio G.; Chung, Kevin; Oliver, Allen G.; Solis-Ibarra, Diego; Waymouth, Robert M.","Chemoselective Oxidation of Polyols with Chiral Palladium Catalysts","Organometallics","2013","32","7","2257","","10.1021/om4001549","","","1.54178","CuKα","","0.0755","0.0573","","","0.1384","0.1483","","","","","","1.039","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080636","9.8875","0.0009","10.6135","0.001","10.6892","0.0009","71.972","0.002","70.386","0.002","85.06","0.002","1004.57","0.16","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C32 H42 F6 N4 O12 Pd2 S2 -","- C32 H42 F6 N4 O12 Pd2 S2 -","- C32 H42 F6 N4 O12 Pd2 S2 -","1","1","","De Crisci, Antonio G.; Chung, Kevin; Oliver, Allen G.; Solis-Ibarra, Diego; Waymouth, Robert M.","Chemoselective Oxidation of Polyols with Chiral Palladium Catalysts","Organometallics","2013","32","7","2257","","10.1021/om4001549","","","0.71073","MoKα","","0.036","0.0288","","","0.0546","0.057","","","","","","1.033","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080637","8.948","0.002","10.178","0.003","14.684","0.004","86.059","0.005","86.844","0.005","80.961","0.005","1316.3","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H25 Cl4 N O2 Pd S -","- C24 H25 Cl4 N O2 Pd S -","- C48 H50 Cl8 N2 O4 Pd2 S2 -","2","1","","Rao, Gyandshwar Kumar; Kumar, Arun; Kumar, Satyendra; Dupare, Umesh B.; Singh, Ajai K.","Palladacycles of Thioethers Catalyzing Suzuki‒Miyaura C‒C Coupling: Generation and Catalytic Activity of Nanoparticles","Organometallics","2013","32","8","2452","","10.1021/om4001956","","","0.71073","MoKα","","0.1041","0.0792","","","0.1563","0.1673","","","","","","1.161","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080638","8.5597","0.0003","8.5597","0.0003","23.7678","0.0008","90","","90","","90","","1741.43","0.1","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C24 H16 Si -","- C24 H16 Si -","- C96 H64 Si4 -","4","0.5","","Pusztai, Erika; Toulokhonova, Irina S.; Temple, Nicole; Albright, Haley; Zakai, Uzma I.; Guo, Song; Guzei, Ilia A.; Hu, Rongrong; West, Robert","Synthesis and Photophysical Properties of Asymmetric Substituted Silafluorenes","Organometallics","2013","32","9","2529","","10.1021/om300891n","","","1.54178","CuKα","","0.0276","0.0275","","","0.0716","0.0716","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080639","9.6128","0.0013","10.4695","0.001","17.023","0.0015","99.632","0.007","91.463","0.01","93.566","0.005","1684.7","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H32 Si -","- C48 H32 Si -","- C96 H64 Si2 -","2","1","","Pusztai, Erika; Toulokhonova, Irina S.; Temple, Nicole; Albright, Haley; Zakai, Uzma I.; Guo, Song; Guzei, Ilia A.; Hu, Rongrong; West, Robert","Synthesis and Photophysical Properties of Asymmetric Substituted Silafluorenes","Organometallics","2013","32","9","2529","","10.1021/om300891n","","","1.54178","MoKα","","0.045","0.0399","","","0.1051","0.1086","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080640","6.6494","0.0008","11.4823","0.0009","23.034","0.002","90","","91.473","0.004","90","","1758.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Si -","- C24 H18 Si -","- C96 H72 Si4 -","4","1","","Pusztai, Erika; Toulokhonova, Irina S.; Temple, Nicole; Albright, Haley; Zakai, Uzma I.; Guo, Song; Guzei, Ilia A.; Hu, Rongrong; West, Robert","Synthesis and Photophysical Properties of Asymmetric Substituted Silafluorenes","Organometallics","2013","32","9","2529","","10.1021/om300891n","","","1.54178","CuKα","","0.0399","0.0388","","","0.101","0.1019","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080641","10.718","0.004","19.313","0.007","13.299","0.005","90","","101.05","0.016","90","","2701.8","1.7","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Si -","- C36 H26 Si -","- C144 H104 Si4 -","4","1","","Pusztai, Erika; Toulokhonova, Irina S.; Temple, Nicole; Albright, Haley; Zakai, Uzma I.; Guo, Song; Guzei, Ilia A.; Hu, Rongrong; West, Robert","Synthesis and Photophysical Properties of Asymmetric Substituted Silafluorenes","Organometallics","2013","32","9","2529","","10.1021/om300891n","","","0.71073","MoKα","","0.0688","0.0448","","","0.1057","0.1212","","","","","","0.937","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080642","10.0191","0.0008","11.4409","0.0007","13.2205","0.001","103.812","0.004","104.06","0.004","102.427","0.01","1366.17","0.19","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H34 Si3 -","- C30 H34 Si3 -","- C60 H68 Si6 -","2","1","","Pusztai, Erika; Toulokhonova, Irina S.; Temple, Nicole; Albright, Haley; Zakai, Uzma I.; Guo, Song; Guzei, Ilia A.; Hu, Rongrong; West, Robert","Synthesis and Photophysical Properties of Asymmetric Substituted Silafluorenes","Organometallics","2013","32","9","2529","","10.1021/om300891n","","","1.54178","CuKα","","0.0361","0.035","","","0.0951","0.0965","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080643","9.622","0.004","10.58","0.004","11.616","0.004","67.3","0.02","65.942","0.007","75.289","0.007","989.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 Cl2 Si -","- C24 H16 Cl2 Si -","- C48 H32 Cl4 Si2 -","2","1","","Pusztai, Erika; Toulokhonova, Irina S.; Temple, Nicole; Albright, Haley; Zakai, Uzma I.; Guo, Song; Guzei, Ilia A.; Hu, Rongrong; West, Robert","Synthesis and Photophysical Properties of Asymmetric Substituted Silafluorenes","Organometallics","2013","32","9","2529","","10.1021/om300891n","","","0.71073","MoKα","","0.0351","0.0321","","","0.0839","0.0865","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080644","24.97","0.002","15.7974","0.0012","21.8435","0.0017","90","","105.631","0.003","90","","8297.7","1.1","200","2","200","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C58 H106 Ag3 F18 N12 O Sb3 -","- C58 H106 Ag3 F18 N12 O Sb3 -","- C232 H424 Ag12 F72 N48 O4 Sb12 -","4","1","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0697","0.0428","","","0.1094","0.1195","","","","","","1.061","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080645","9.6119","0.001","24.199","0.003","41.756","0.005","90","","90","","90","","9712","2","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag Cl N4 O4 -","- C18 H32 Ag Cl N4 O4 -","- C288 H512 Ag16 Cl16 N64 O64 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0497","0.0434","","","0.1226","0.1286","","","","","","1.085","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080646","9.5993","0.0005","24.1313","0.0014","41.716","0.002","90","","90","","90","","9663.2","0.9","280","2","280","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag Cl N4 O4 -","- C18 H32 Ag Cl N4 O4 -","- C288 H512 Ag16 Cl16 N64 O64 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0542","0.0424","","","0.119","0.1288","","","","","","1.066","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080647","23.503","0.002","42.07","0.003","9.4155","0.0008","90","","90","","90","","9309.8","1.3","200","2","200","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C18 H32 Ag Cl N4 O4 -","- C18 H32 Ag Cl N4 O4 -","- C288 H512 Ag16 Cl16 N64 O64 -","16","1","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0266","0.0214","","","0.0482","0.05","","","","","","1.02","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080648","9.1954","0.0009","11.3672","0.0009","20.0322","0.0019","90","","92.33","0.003","90","","2092.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Ag F6 N4 P -","- C14 H24 Ag F6 N4 P -","- C56 H96 Ag4 F24 N16 P4 -","4","1","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0424","0.0312","","","0.0713","0.0775","","","","","","0.964","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080649","9.133","0.0012","11.2462","0.0013","19.95","0.002","90","","92.275","0.004","90","","2047.5","0.4","205","2","205","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Ag F6 N4 P -","- C14 H24 Ag F6 N4 P -","- C56 H96 Ag4 F24 N16 P4 -","4","1","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0578","0.038","","","0.0777","0.0849","","","","","","1.093","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080650","11.412","0.002","21.494","0.004","7.1073","0.0014","90","","110.788","0.007","90","","1629.9","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Ag F6 N4 P -","- C10 H16 Ag F6 N4 P -","- C40 H64 Ag4 F24 N16 P4 -","4","0.5","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0863","0.0535","","","0.1411","0.1637","","","","","","1.048","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080651","11.3568","0.0016","21.499","0.003","7.0296","0.0009","90","","111.507","0.005","90","","1596.8","0.4","205","2","205","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Ag F6 N4 P -","- C10 H16 Ag F6 N4 P -","- C40 H64 Ag4 F24 N16 P4 -","4","0.5","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0568","0.0388","","","0.1169","0.1551","","","","","","1.194","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080652","8.479","0.005","16.11","0.008","13.26","0.007","90","","94","0.02","90","","1806.9","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Ag4 Br4 N8 -","- C12 H20 Ag2 Br2 N4 -","- C48 H80 Ag8 Br8 N16 -","4","1","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.063","0.0362","","","0.0762","0.0829","","","","","","1.021","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080653","8.4961","0.0008","15.8887","0.0015","13.1215","0.0012","90","","93.714","0.003","90","","1767.6","0.3","205","2","205","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Ag2 Br2 N4 -","- C12 H20 Ag2 Br2 N4 -","- C48 H80 Ag8 Br8 N16 -","4","1","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0726","0.0565","","","0.1639","0.1757","","","","","","1.072","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080654","9.7887","0.0005","24.8387","0.0011","41.738","0.002","90","","90","","90","","10148.1","0.8","293","2","293","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C288 H512 Ag16 F96 N64 P16 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0505","0.0354","","","0.0947","0.1054","","","","","","1.023","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080655","9.7624","0.0005","24.813","0.001","41.7229","0.0019","90","","90","","90","","10106.7","0.8","281","2","281","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C288 H512 Ag16 F96 N64 P16 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0484","0.0343","","","0.0917","0.1026","","","","","","1.031","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080656","9.7322","0.0004","24.7866","0.0011","41.73","0.002","90","","90","","90","","10066.5","0.8","260","2","260","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C288 H512 Ag16 F96 N64 P16 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0444","0.034","","","0.0923","0.1002","","","","","","1.044","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080657","9.7049","0.0004","24.754","0.0011","41.727","0.002","90","","90","","90","","10024.3","0.8","240","2","240","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C288 H512 Ag16 F96 N64 P16 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0492","0.037","","","0.1022","0.1216","","","","","","1.118","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080658","9.6828","0.0005","24.7211","0.001","41.694","0.002","90","","90","","90","","9980.3","0.8","220","2","220","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C288 H512 Ag16 F96 N64 P16 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.039","0.0307","","","0.0809","0.0867","","","","","","1.044","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080659","9.6544","0.0004","24.6826","0.001","41.6964","0.0018","90","","90","","90","","9936.1","0.7","200","2","200","2","","","","","","","","6","F d d d","-F 2uv 2vw","70","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C288 H512 Ag16 F96 N64 P16 -","16","","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","0.71073","MoKα","","0.0427","0.0334","","","0.0907","0.107","","","","","","1.15","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080660","9.5037","0.0012","24.321","0.003","83.46","0.01","90","","90","","90","","19291","4","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C18 H32 Ag F6 N4 P -","- C18 H32 Ag F6 N4 P -","- C576 H1024 Ag32 F192 N128 P32 -","32","4","","Kriechbaum, Margit; Hölbling, Johanna; Stammler, Hans-Georg; List, Manuela; Berger, Raphael J. F.; Monkowius, Uwe","Unprecedented Large Temperature Dependence of Silver(I)‒Silver(I) Distances in Some N-Heterocyclic Carbene Silver(I) Complex Salts","Organometallics","2013","32","10","2876","","10.1021/om300932r","","","1.54178","CuKα","","0.1113","0.1071","","","0.2503","0.2545","","","","","","1.095","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080661","21.1588","0.0007","29.4711","0.001","9.1006","0.0003","90","","90","","90","","5674.9","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C52 H72 I2 P4 Pt2 -","- C52 H72 I2 P4 Pt2 -","- C208 H288 I8 P16 Pt8 -","4","1","","Wu, Nai-Wei; Zhang, Jing; Ciren, Deji; Han, Qing; Chen, Li-Jun; Xu, Lin; Yang, Hai-Bo","Construction of Supramolecular Pyrene-Modified Metallacycles via Coordination-Driven Self-Assembly and Their Spectroscopic Behavior","Organometallics","2013","32","9","2536","","10.1021/om301108s","","","0.71073","MoKα","","0.0329","0.0278","","","0.0644","0.0671","","","","","","1.045","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080662","12.7564","0.0013","9.8867","0.001","16.1989","0.0015","90","","100.352","0.004","90","","2009.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 B N -","- C24 H28 B N -","- C96 H112 B4 N4 -","4","0.5","","Sudhakar, Pagidi; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Revisiting Borylanilines: Unique Solid-State Structures and Insight into Photophysical Properties","Organometallics","2013","32","10","3129","","10.1021/om301197f","","","0.71073","MoKα","","0.0524","0.0469","","","0.1347","0.1398","","","","","","1.041","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080663","11.602","0.001","11.6688","0.0009","16.4915","0.0015","90","","107.555","0.006","90","","2128.7","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 B N -","- C26 H32 B N -","- C104 H128 B4 N4 -","4","0.5","","Sudhakar, Pagidi; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Revisiting Borylanilines: Unique Solid-State Structures and Insight into Photophysical Properties","Organometallics","2013","32","10","3129","","10.1021/om301197f","","","0.71073","MoKα","","0.1064","0.0645","","","0.1651","0.189","","","","","","1.066","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080664","11.1083","0.0014","13.7513","0.0017","16.122","0.002","90","","93.539","0.002","90","","2458","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 Cl4 N2 Ru Sn -","- C19 H32 Cl4 N2 Ru Sn -","- C76 H128 Cl16 N8 Ru4 Sn4 -","4","1","","Khan, Rais Ahmad; Asim, Ahmad; Kakkar, Rita; Gupta, Deepti; Bagchi, Vivek; Arjmand, Farukh; Tabassum, Sartaj","A Chloro-Bridged Heterobimetallic (η6-Arene)ruthenium‒Organotin Complex as an Efficient Topoisomerase Iα Inhibitor","Organometallics","2013","32","9","2546","","10.1021/om301223k","","","0.71073","MoKα","","0.1","0.0609","","","0.1357","0.1465","","","","","","1.109","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080665","9.5714","0.0003","6.864","0.0002","9.3036","0.0003","90","","90","","90","","611.23","0.03","297","2","297","2","","","","","","","","6","P m n m :2","-P 2c 2a","59","","","","- C10 H10 B Cl2 F4 Mo -","- C10 H10 B Cl2 F4 Mo -","- C20 H20 B2 Cl4 F8 Mo2 -","2","0.25","","Kuo, Louis Y.; Shari’ati, Yusef A.; Valente, Edward J.","Aqueous Chemistry of the Metallocene [Cp2MoCl2]BF4: Evidence of Autocatalytic Molybdenum(V) Reduction in Water","Organometallics","2013","32","10","2902","","10.1021/om301262u","","","0.71073","MoKα","","0.0251","0.023","","","0.0532","0.0546","","","","","","1.003","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080666","13.274","0.0005","13.0986","0.0004","12.0574","0.0005","90","","107.013","0.004","90","","2004.69","0.13","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl2 Mo -","- C10 H10 Cl2 Mo -","- C80 H80 Cl16 Mo8 -","8","2","","Kuo, Louis Y.; Shari’ati, Yusef A.; Valente, Edward J.","Aqueous Chemistry of the Metallocene [Cp2MoCl2]BF4: Evidence of Autocatalytic Molybdenum(V) Reduction in Water","Organometallics","2013","32","10","2902","","10.1021/om301262u","","","0.71073","MoKα","","0.0528","0.0352","","","0.0716","0.079","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080667","32.192","0.008","11.776","0.003","34.595","0.009","90","","94.986","0.005","90","","13065","6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C276 H208 F24 Ir4 N8 O11 P12 -","- C276 H208 F24 Ir4 N8 O11 P12 -","- C552 H416 F48 Ir8 N16 O22 P24 -","2","0.5","","Luo, Shao-Xiong; Wei, Lu; Zhang, Xin-Hai; Lim, Min Hwee; Lin, K. X. Vivian; Yeo, M. H. Valerie; Zhang, Wen-Hua; Liu, Zhi-Pan; Young, David J.; Hor, T. S. Andy","Enhanced Emission and Analyte Sensing by Cinchonine Iridium(III) Cyclometalated Complexes Bearing Bent Diphosphine Chelators","Organometallics","2013","32","10","2908","","10.1021/om400028n","","","0.71073","MoKα","","0.0888","0.0697","","","0.1899","0.2024","","","","","","1.104","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080668","20.9513","0.0016","20.9513","0.0016","41.583","0.007","90","","90","","90","","18253","4","100","2","100","2","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C105 H82 Cl2 F12 Ir2 N4 O2 P6 -","- C105 H82 Cl2 F12 Ir2 N4 O2 P6 -","- C840 H656 Cl16 F96 Ir16 N32 O16 P48 -","8","0.5","","Luo, Shao-Xiong; Wei, Lu; Zhang, Xin-Hai; Lim, Min Hwee; Lin, K. X. Vivian; Yeo, M. H. Valerie; Zhang, Wen-Hua; Liu, Zhi-Pan; Young, David J.; Hor, T. S. Andy","Enhanced Emission and Analyte Sensing by Cinchonine Iridium(III) Cyclometalated Complexes Bearing Bent Diphosphine Chelators","Organometallics","2013","32","10","2908","","10.1021/om400028n","","","0.71073","MoKα","","0.041","0.0332","","","0.0801","0.0839","","","","","","1.055","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080669","18.4035","0.0008","19.7103","0.0009","29.7739","0.0014","90","","90","","90","","10800.1","0.8","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C117 H88 Cl2 F12 Ir2 N6 O2 P6 -","- C117 H88 Cl2 F12 Ir2 N6 O2 P6 -","- C468 H352 Cl8 F48 Ir8 N24 O8 P24 -","4","0.5","","Luo, Shao-Xiong; Wei, Lu; Zhang, Xin-Hai; Lim, Min Hwee; Lin, K. X. Vivian; Yeo, M. H. Valerie; Zhang, Wen-Hua; Liu, Zhi-Pan; Young, David J.; Hor, T. S. Andy","Enhanced Emission and Analyte Sensing by Cinchonine Iridium(III) Cyclometalated Complexes Bearing Bent Diphosphine Chelators","Organometallics","2013","32","10","2908","","10.1021/om400028n","","","0.71073","MoKα","","0.0676","0.044","","","0.1205","0.1486","","","","","","1.149","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080670","40.796","0.003","10.3529","0.0007","29.27","0.002","90","","123.26","0.002","90","","10337.3","1.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C214 H144 F40 Ir4 N11 P12 -","- C214 H144 F40 Ir4 N11 P12 -","- C428 H288 F80 Ir8 N22 P24 -","2","0.25","","Luo, Shao-Xiong; Wei, Lu; Zhang, Xin-Hai; Lim, Min Hwee; Lin, K. X. Vivian; Yeo, M. H. Valerie; Zhang, Wen-Hua; Liu, Zhi-Pan; Young, David J.; Hor, T. S. Andy","Enhanced Emission and Analyte Sensing by Cinchonine Iridium(III) Cyclometalated Complexes Bearing Bent Diphosphine Chelators","Organometallics","2013","32","10","2908","","10.1021/om400028n","","","0.71073","MoKα","","0.0468","0.035","","","0.1047","0.1146","","","","","","1.118","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080671","12.487","0.002","13.955","0.003","18.365","0.003","103.716","0.004","98.452","0.004","104.397","0.004","2938.3","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H59 F10 Ir N3 O3 P3 -","- C66 H59 F10 Ir N3 O3 P3 -","- C132 H118 F20 Ir2 N6 O6 P6 -","2","1","","Luo, Shao-Xiong; Wei, Lu; Zhang, Xin-Hai; Lim, Min Hwee; Lin, K. X. Vivian; Yeo, M. H. Valerie; Zhang, Wen-Hua; Liu, Zhi-Pan; Young, David J.; Hor, T. S. Andy","Enhanced Emission and Analyte Sensing by Cinchonine Iridium(III) Cyclometalated Complexes Bearing Bent Diphosphine Chelators","Organometallics","2013","32","10","2908","","10.1021/om400028n","","","0.71073","MoKα","","0.0616","0.0519","","","0.1234","0.1282","","","","","","1.025","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080672","12.855","0.0009","24.0949","0.0014","7.6806","0.0005","90","","101.505","0.003","90","","2331.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Br N4 Pt -","- C25 H25 Br N4 Pt -","- C100 H100 Br4 N16 Pt4 -","4","1","","Moustafa, Mohamed E.; McCready, Matthew S.; Puddephatt, Richard J.","Photoswitchable Organoplatinum(IV) Complexes","Organometallics","2013","32","9","2552","","10.1021/om4000314","","","0.71073","MoKα","","0.0426","0.0304","","","0.058","0.0611","","","","","","1.081","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080673","12.434","0.003","13.705","0.003","15.993","0.003","96.95","0.03","107.82","0.03","95.22","0.03","2551.8","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H26 Br Cl N4 Pt -","- C27.5 H26 Br Cl N4 Pt -","- C110 H104 Br4 Cl4 N16 Pt4 -","4","2","","Moustafa, Mohamed E.; McCready, Matthew S.; Puddephatt, Richard J.","Photoswitchable Organoplatinum(IV) Complexes","Organometallics","2013","32","9","2552","","10.1021/om4000314","","","0.71073","MoKα","","0.0893","0.0518","","","0.1247","0.1614","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080674","36.604","0.003","6.9477","0.0006","23.434","0.002","90","","90","","90","","5959.6","0.9","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C31 H33 Br N4 O4 Pt -","- C31 H33 Br N4 O4 Pt -","- C248 H264 Br8 N32 O32 Pt8 -","8","1","","Moustafa, Mohamed E.; McCready, Matthew S.; Puddephatt, Richard J.","Photoswitchable Organoplatinum(IV) Complexes","Organometallics","2013","32","9","2552","","10.1021/om4000314","","","0.71073","MoKα","","0.0451","0.0371","","","0.0783","0.0808","","","","","","1.271","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080675","11.7537","0.0005","35.6472","0.0016","15.8928","0.0006","90","","90.031","0.002","90","","6658.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71 H76 Br2 Cl2 N12 Pt2 -","- C71 H76 Br2 Cl2 N12 Pt2 -","- C284 H304 Br8 Cl8 N48 Pt8 -","4","1","","Moustafa, Mohamed E.; McCready, Matthew S.; Puddephatt, Richard J.","Photoswitchable Organoplatinum(IV) Complexes","Organometallics","2013","32","9","2552","","10.1021/om4000314","","","0.71073","MoKα","","0.0536","0.0364","","","0.0756","0.0823","","","","","","1.035","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080676","13.6944","0.0012","8.5307","0.0008","23.958","0.002","90","","96.831","0.001","90","","2779","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H53 Cl Os P2 -","- C23 H53 Cl Os P2 -","- C92 H212 Cl4 Os4 P8 -","4","1","","Esteruelas, Miguel A.; Larramona, Carmen; Oñate, Enrique","Hydroosmiation of Allenes and Reductive Elimination of Olefin in Unsaturated Osmium(IV) Polyhydrides: Hydride versus Chloride","Organometallics","2013","32","9","2567","","10.1021/om400041m","","","0.71073","MoKα","","0.0289","0.0211","","","0.0479","0.0507","","","","","","0.994","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080677","8.7675","0.001","11.8843","0.0014","16.7509","0.0019","98.151","0.002","100.785","0.002","104.551","0.001","1626.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H59 Cl O3 Os P2 -","- C27 H59 Cl O3 Os P2 -","- C54 H118 Cl2 O6 Os2 P4 -","2","1","","Esteruelas, Miguel A.; Larramona, Carmen; Oñate, Enrique","Hydroosmiation of Allenes and Reductive Elimination of Olefin in Unsaturated Osmium(IV) Polyhydrides: Hydride versus Chloride","Organometallics","2013","32","9","2567","","10.1021/om400041m","","","0.71073","MoKα","","0.0265","0.0226","","","0.0494","0.0506","","","","","","1.029","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080678","8.5084","0.0001","14.5398","0.0002","22.3966","0.0004","90","","90.662","0.001","90","","2770.51","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1 in manuscript","","","- C29 H33 Au N2 O3 -","- C29 H33 Au N2 O3 -","- C116 H132 Au4 N8 O12 -","4","1","","Ibrahim, Nada; Vilhelmsen, Mie Højer; Pernpointner, Markus; Rominger, Frank; Hashmi, A. Stephen K.","Gold Phenolate Complexes: Synthesis, Structure, and Reactivity","Organometallics","2013","32","9","2576","","10.1021/om400060s","","","0.71073","MoKα","","0.0316","0.0261","","","0.065","0.0681","","","","","","1.062","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080679","12.2263","0.0001","27.8242","0.0004","12.6285","0.0002","90","","116.606","0.001","90","","3841.13","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2 in manuscript","","","- C36 H46 Au Cl3 N2 O3 -","- C36 H46 Au Cl3 N2 O3 -","- C144 H184 Au4 Cl12 N8 O12 -","4","1","","Ibrahim, Nada; Vilhelmsen, Mie Højer; Pernpointner, Markus; Rominger, Frank; Hashmi, A. Stephen K.","Gold Phenolate Complexes: Synthesis, Structure, and Reactivity","Organometallics","2013","32","9","2576","","10.1021/om400060s","","","0.71073","MoKα","","0.0566","0.0331","","","0.0644","0.0708","","","","","","1.037","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080680","24.6781","0.0002","20.9612","0.0001","27.588","0.0003","90","","90","","90","","14270.8","0.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","3 in manuscript","","","- C35 H39 Au F6 N2 O -","- C35 H39 Au F6 N2 O -","- C560 H624 Au16 F96 N32 O16 -","16","2","","Ibrahim, Nada; Vilhelmsen, Mie Højer; Pernpointner, Markus; Rominger, Frank; Hashmi, A. Stephen K.","Gold Phenolate Complexes: Synthesis, Structure, and Reactivity","Organometallics","2013","32","9","2576","","10.1021/om400060s","","","0.71073","MoKα","","0.0929","0.0363","","","0.0562","0.0707","","","","","","1.035","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080681","12.1367","0.0013","12.5252","0.0013","13.7251","0.0015","70.042","0.002","83.825","0.002","72.231","0.002","1867.5","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","4 in manuscript","","","- C34 H40 Au Br2 Cl3 N2 O -","- C34 H40 Au Br2 Cl3 N2 O -","- C68 H80 Au2 Br4 Cl6 N4 O2 -","2","1","","Ibrahim, Nada; Vilhelmsen, Mie Højer; Pernpointner, Markus; Rominger, Frank; Hashmi, A. Stephen K.","Gold Phenolate Complexes: Synthesis, Structure, and Reactivity","Organometallics","2013","32","9","2576","","10.1021/om400060s","","","0.71073","MoKα","","0.0618","0.0461","","","0.0989","0.1152","","","","","","1.063","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080682","21.229","0.003","14.067","0.002","23.899","0.004","90","","112.638","0.003","90","","6587.1","1.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5 in manuscript","","","- C36 H44 Au N2 O1.5 -","- C36 H44 Au N2 O1.5 -","- C288 H352 Au8 N16 O12 -","8","1","","Ibrahim, Nada; Vilhelmsen, Mie Højer; Pernpointner, Markus; Rominger, Frank; Hashmi, A. Stephen K.","Gold Phenolate Complexes: Synthesis, Structure, and Reactivity","Organometallics","2013","32","9","2576","","10.1021/om400060s","","","0.71073","MoKα","","0.0547","0.0383","","","0.0895","0.0972","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080683","22.8993","0.0019","12.6652","0.001","28.032","0.002","90","","93.814","0.002","90","","8112","1.1","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6 in manuscript","","","- C36.5 H48.5 Au Cl4.5 N2 O3 -","- C36.5 H48.5 Au Cl4.5 N2 O3 -","- C292 H388 Au8 Cl36 N16 O24 -","8","2","","Ibrahim, Nada; Vilhelmsen, Mie Højer; Pernpointner, Markus; Rominger, Frank; Hashmi, A. Stephen K.","Gold Phenolate Complexes: Synthesis, Structure, and Reactivity","Organometallics","2013","32","9","2576","","10.1021/om400060s","","","0.71073","MoKα","","0.0489","0.0361","","","0.0926","0.1003","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080684","10.6369","0.0004","24.2508","0.0009","13.8349","0.0005","90","","107.679","0.001","90","","3400.2","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","7 in manuscript","","","- C36 H45 Au N2 O -","- C36 H45 Au N2 O -","- C144 H180 Au4 N8 O4 -","4","1","","Ibrahim, Nada; Vilhelmsen, Mie Højer; Pernpointner, Markus; Rominger, Frank; Hashmi, A. Stephen K.","Gold Phenolate Complexes: Synthesis, Structure, and Reactivity","Organometallics","2013","32","9","2576","","10.1021/om400060s","","","0.71073","MoKα","","0.085","0.0511","","","0.0943","0.1068","","","","","","1.105","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080685","11.631","0.0004","12.1927","0.0004","12.319","0.0004","90","","112.915","0.001","90","","1609.13","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N P S -","- C16 H22 N P S -","- C64 H88 N4 P4 S4 -","4","1","","Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.","Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane","Organometallics","2013","32","9","2584","","10.1021/om400062e","","","0.71073","MoKα","","0.0392","0.0322","","","0.0903","0.0992","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080686","17.3667","0.0009","13.1244","0.0006","14.5135","0.0007","90","","95.932","0.001","90","","3290.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Mg N2 P2 S2 -","- C32 H42 Mg N2 P2 S2 -","- C128 H168 Mg4 N8 P8 S8 -","4","1","","Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.","Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane","Organometallics","2013","32","9","2584","","10.1021/om400062e","","","0.71073","MoKα","","0.0533","0.041","","","0.1037","0.1223","","","","","","1.125","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080687","8.1729","0.0008","11.8714","0.0014","11.8887","0.0014","101.902","0.002","98.882","0.002","100.067","0.002","1089.4","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H62 Li2 N2 O2 P2 S2 -","- C40 H62 Li2 N2 O2 P2 S2 -","- C40 H62 Li2 N2 O2 P2 S2 -","1","0.5","","Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.","Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane","Organometallics","2013","32","9","2584","","10.1021/om400062e","","","0.71073","MoKα","","0.0562","0.046","","","0.1329","0.1422","","","","","","1.088","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080688","12.8167","0.0006","24.1586","0.0012","22.4787","0.0011","90","","94.701","0.001","90","","6936.7","0.6","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H40 N2 P2 Pb2 S2 -","- C32 H40 N2 P2 Pb2 S2 -","- C256 H320 N16 P16 Pb16 S16 -","8","2","","Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.","Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane","Organometallics","2013","32","9","2584","","10.1021/om400062e","","","0.71073","MoKα","","0.0274","0.023","","","0.0489","0.0507","","","","","","0.98","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080689","12.7235","0.0012","24.007","0.002","22.492","0.002","90","","94.649","0.001","90","","6847.6","1.1","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H40 N2 P2 S2 Sn2 -","- C32 H40 N2 P2 S2 Sn2 -","- C256 H320 N16 P16 S16 Sn16 -","8","2","","Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.","Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane","Organometallics","2013","32","9","2584","","10.1021/om400062e","","","0.71073","MoKα","","0.0378","0.0343","","","0.0868","0.0887","","","","","","1.042","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080690","12.8842","0.0009","9.9351","0.0007","13.9787","0.001","90","","105.895","0.001","90","","1720.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 K N P S -","- C16 H21 K N P S -","- C64 H84 K4 N4 P4 S4 -","4","1","","Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.","Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane","Organometallics","2013","32","9","2584","","10.1021/om400062e","","","0.71073","MoKα","","0.071","0.0429","","","0.1051","0.1213","","","","","","1.03","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080691","11.2271","0.0007","13.4898","0.0008","15.2475","0.0009","100.943","0.001","108.536","0.001","105.108","0.001","2017.8","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H48 Cl0 N2 P2 Pb2 S2 -","- C39 H48 N2 P2 Pb2 S2 -","- C78 H96 N4 P4 Pb4 S4 -","2","1","","Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.","Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane","Organometallics","2013","32","9","2584","","10.1021/om400062e","","","0.71073","MoKα","","0.0691","0.0555","","","0.1332","0.1441","","","","","","1.026","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080692","20.041","0.011","11.98","0.006","14.696","0.008","90","","110.009","0.009","90","","3315","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Ge2 N2 P2 S2 -","- C32 H40 Ge2 N2 P2 S2 -","- C128 H160 Ge8 N8 P8 S8 -","4","1","","Leung, Wing-Por; Chan, Yuk-Chi; Mak, Thomas C. W.","Synthesis and Structural Characterization of Lithium, Potassium, Magnesium, and Heavier Group 14 Metal Complexes Derived from 2-Quinolyl-Linked (Thiophosphorano)methane","Organometallics","2013","32","9","2584","","10.1021/om400062e","","","0.71073","MoKα","","0.0994","0.0576","","","0.1403","0.174","","","","","","1.062","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080693","13.0114","0.0003","11.4886","0.0002","19.3697","0.0005","90","","100.042","0.001","90","","2851.08","0.11","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 K2 N2 O -","- C28 H44 K2 N2 O -","- C112 H176 K8 N8 O4 -","4","1","","Glock, Carsten; Younis, Fadi M.; Ziemann, Steffen; Görls, Helmar; Imhof, Wolfgang; Krieck, Sven; Westerhausen, Matthias","2,6-Diisopropylphenylamides of Potassium and Calcium: A Primary Amido Ligand in s-Block Metal Chemistry with an Unprecedented Catalytic Reactivity","Organometallics","2013","32","9","2649","","10.1021/om4001007","","","0.71073","MoKα","","0.0612","0.0449","","","0.0957","0.1041","","","","","","1.069","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080694","10.5944","0.0003","19.811","0.0007","11.4098","0.0003","90","","104.561","0.002","90","","2317.84","0.12","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H82 K2 N8 -","- C42 H82 K2 N8 -","- C84 H164 K4 N16 -","2","0.5","","Glock, Carsten; Younis, Fadi M.; Ziemann, Steffen; Görls, Helmar; Imhof, Wolfgang; Krieck, Sven; Westerhausen, Matthias","2,6-Diisopropylphenylamides of Potassium and Calcium: A Primary Amido Ligand in s-Block Metal Chemistry with an Unprecedented Catalytic Reactivity","Organometallics","2013","32","9","2649","","10.1021/om4001007","","","0.71073","MoKα","","0.112","0.0776","","","0.1652","0.1838","","","","","","1.137","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080695","11.9767","0.0002","12.2027","0.0002","20.5366","0.0002","90","","91.41","0.001","90","","3000.48","0.08","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H46 K2 N2 O2 Si2 -","- C22 H46 K2 N2 O2 Si2 -","- C88 H184 K8 N8 O8 Si8 -","4","1","","Glock, Carsten; Younis, Fadi M.; Ziemann, Steffen; Görls, Helmar; Imhof, Wolfgang; Krieck, Sven; Westerhausen, Matthias","2,6-Diisopropylphenylamides of Potassium and Calcium: A Primary Amido Ligand in s-Block Metal Chemistry with an Unprecedented Catalytic Reactivity","Organometallics","2013","32","9","2649","","10.1021/om4001007","","","0.71073","MoKα","","0.0424","0.0364","","","0.0898","0.0946","","","","","","1.045","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080696","9.2687","0.0003","13.4006","0.0002","14.0694","0.0003","90","","90.141","0.001","90","","1747.5","0.07","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H59 Ca N5 -","- C33 H59 Ca N5 -","- C66 H118 Ca2 N10 -","2","1","","Glock, Carsten; Younis, Fadi M.; Ziemann, Steffen; Görls, Helmar; Imhof, Wolfgang; Krieck, Sven; Westerhausen, Matthias","2,6-Diisopropylphenylamides of Potassium and Calcium: A Primary Amido Ligand in s-Block Metal Chemistry with an Unprecedented Catalytic Reactivity","Organometallics","2013","32","9","2649","","10.1021/om4001007","","","0.71073","MoKα","","0.0872","0.0831","","","0.1919","0.1947","","","","","","1.214","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080697","13.4294","0.0002","16.708","0.0002","30.7572","0.0005","98.896","0.001","94.149","0.001","91.05","0.001","6797.31","0.17","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 Ca N2 O4 -","- C32 H56 Ca N2 O4 -","- C256 H448 Ca8 N16 O32 -","8","4","","Glock, Carsten; Younis, Fadi M.; Ziemann, Steffen; Görls, Helmar; Imhof, Wolfgang; Krieck, Sven; Westerhausen, Matthias","2,6-Diisopropylphenylamides of Potassium and Calcium: A Primary Amido Ligand in s-Block Metal Chemistry with an Unprecedented Catalytic Reactivity","Organometallics","2013","32","9","2649","","10.1021/om4001007","","","0.71073","MoKα","","0.1425","0.0965","","","0.1731","0.2007","","","","","","1.149","","","","has coordinates,has disorder","178695","2020-10-21","18:00:00",""
"4080698","19.5067","0.0015","18.9652","0.0014","17.0042","0.0009","90","","123.84","0.003","90","","5225","0.6","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H80 Ca K2 N4 -","- C55 H80 Ca K2 N4 -","- C220 H320 Ca4 K8 N16 -","4","0.5","","Glock, Carsten; Younis, Fadi M.; Ziemann, Steffen; Görls, Helmar; Imhof, Wolfgang; Krieck, Sven; Westerhausen, Matthias","2,6-Diisopropylphenylamides of Potassium and Calcium: A Primary Amido Ligand in s-Block Metal Chemistry with an Unprecedented Catalytic Reactivity","Organometallics","2013","32","9","2649","","10.1021/om4001007","","","0.71073","MoKα","","0.174","0.0649","","","0.1294","0.1679","","","","","","0.986","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080699","9.8977","0.0003","12.3541","0.0003","17.1276","0.0006","84.32","0.002","75.873","0.002","71.276","0.002","1923","0.1","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H44 N -","- C52 H44 N -","- C104 H88 N2 -","2","1","","Glock, Carsten; Younis, Fadi M.; Ziemann, Steffen; Görls, Helmar; Imhof, Wolfgang; Krieck, Sven; Westerhausen, Matthias","2,6-Diisopropylphenylamides of Potassium and Calcium: A Primary Amido Ligand in s-Block Metal Chemistry with an Unprecedented Catalytic Reactivity","Organometallics","2013","32","9","2649","","10.1021/om4001007","","","0.71073","MoKα","","0.0792","0.0625","","","0.1224","0.1333","","","","","","1.116","","","","has coordinates","178695","2020-10-21","18:00:00",""
"4080700","11.7","0.02","22.19","0.07","18.56","0.03","90","","102.49","0.07","90","","4705","19","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H76 N3 O3 Si2 Y -","- C43 H76 N3 O3 Si2 Y -","- C172 H304 N12 O12 Si8 Y4 -","4","1","","Nie, Kun; Gu, Weikai; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and Characterization of Salalen Lanthanide Complexes and Their Application in the Polymerization ofrac-Lactide","Organometallics","2013","32","9","2608","","10.1021/om4001023","","","0.71075","MoKα","","0.1302","0.0933","","","0.1813","0.2016","","","","","","1.153","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080701","11.778","0.002","22.319","0.004","18.626","0.004","90","","101.987","0.004","90","","4789.5","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H76 N3 O3 Si2 Sm -","- C43 H76 N3 O3 Si2 Sm -","- C172 H304 N12 O12 Si8 Sm4 -","4","1","","Nie, Kun; Gu, Weikai; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and Characterization of Salalen Lanthanide Complexes and Their Application in the Polymerization ofrac-Lactide","Organometallics","2013","32","9","2608","","10.1021/om4001023","","","0.7107","MoKα","","0.0764","0.0618","","","0.1426","0.1522","","","","","","1.098","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080702","13.766","0.006","13.982","0.005","15.195","0.006","98.765","0.004","107.678","0.004","113.817","0.006","2419.1","1.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H76 N3 Nd O3 Si2 -","- C43 H76 N3 Nd O3 Si2 -","- C86 H152 N6 Nd2 O6 Si4 -","2","1","","Nie, Kun; Gu, Weikai; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and Characterization of Salalen Lanthanide Complexes and Their Application in the Polymerization ofrac-Lactide","Organometallics","2013","32","9","2608","","10.1021/om4001023","","","0.71075","MoKα","","0.0784","0.0554","","","0.1246","0.1641","","","","","","1.109","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080703","12.1564","0.0012","15.2953","0.0008","16.4736","0.0012","70.937","0.016","74.983","0.018","73.57","0.018","2729.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H132 N4 O6 Y2 -","- C98 H132 N4 O6 Y2 -","- C98 H132 N4 O6 Y2 -","1","0.5","","Nie, Kun; Gu, Weikai; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and Characterization of Salalen Lanthanide Complexes and Their Application in the Polymerization ofrac-Lactide","Organometallics","2013","32","9","2608","","10.1021/om4001023","","","0.7107","MoKα","","0.1775","0.1368","","","0.3355","0.3668","","","","","","1.127","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080704","12.5937","0.0007","13.828","0.0007","14.6265","0.0007","108.59","0.005","104.09","0.005","107.369","0.005","2136.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H122 N4 O7 Sm2 -","- C84 H118 N4 O7 Sm2 -","- C84 H118 N4 O7 Sm2 -","1","0.5","","Nie, Kun; Gu, Weikai; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and Characterization of Salalen Lanthanide Complexes and Their Application in the Polymerization ofrac-Lactide","Organometallics","2013","32","9","2608","","10.1021/om4001023","","","0.71073","MoKα","","0.0922","0.0601","","","0.1313","0.1439","","","","","","0.99","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080705","11.9932","0.0013","15.002","0.0016","15.6481","0.0017","65.739","0.019","70.85","0.02","71.9","0.02","2373.6","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H130 N4 O8 Yb2 -","- C88 H130 N4 O8 Yb2 -","- C88 H130 N4 O8 Yb2 -","1","0.5","","Nie, Kun; Gu, Weikai; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and Characterization of Salalen Lanthanide Complexes and Their Application in the Polymerization ofrac-Lactide","Organometallics","2013","32","9","2608","","10.1021/om4001023","","","0.71075","MoKα","","0.0878","0.0623","","","0.1658","0.2056","","","","","","1.017","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080706","11.0749","0.0014","27.492","0.003","16.843","0.002","90","","101.632","0.003","90","","5022.9","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H130 N4 O7 Y2 -","- C104 H130 N4 O7 Y2 -","- C208 H260 N8 O14 Y4 -","2","0.5","","Nie, Kun; Gu, Weikai; Yao, Yingming; Zhang, Yong; Shen, Qi","Synthesis and Characterization of Salalen Lanthanide Complexes and Their Application in the Polymerization ofrac-Lactide","Organometallics","2013","32","9","2608","","10.1021/om4001023","","","0.7107","MoKα","","0.1141","0.0923","","","0.2093","0.2206","","","","","","1.214","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080707","7.2293","0.001","12.4372","0.0008","21.1286","0.0014","90","","91.288","0.009","90","","1899.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Al N S -","- C18 H30 Al N S -","- C72 H120 Al4 N4 S4 -","4","1","","Postigo, Lorena; Maestre, Mar\?ía del Carmen; Mosquera, Marta E. G.; Cuenca, Tomás; Jiménez, Gerardo","Aminoarenethiolate Aluminum Complexes: Synthesis, Characterization, and Use inl-Lactide Polymerization","Organometallics","2013","32","9","2618","","10.1021/om400111f","","","0.71073","MoKα","","0.1178","0.0574","","","0.122","0.1478","","","","","","1.022","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080708","7.1323","0.0016","18.115","0.007","14.263","0.003","90","","104.427","0.016","90","","1784.7","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 Al N S -","- C17 H28 Al N S -","- C68 H112 Al4 N4 S4 -","4","1","","Postigo, Lorena; Maestre, Mar\?ía del Carmen; Mosquera, Marta E. G.; Cuenca, Tomás; Jiménez, Gerardo","Aminoarenethiolate Aluminum Complexes: Synthesis, Characterization, and Use inl-Lactide Polymerization","Organometallics","2013","32","9","2618","","10.1021/om400111f","","","0.71073","MoKα","","0.0905","0.0505","","","0.114","0.1373","","","","","","1.039","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080709","12.2807","0.0002","20.2298","0.0003","23.4545","0.0003","90","","90","","90","","5826.94","0.15","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C72 H70 Mo N4 O -","- C72 H70 Mo N4 O -","- C288 H280 Mo4 N16 O4 -","4","1","","Reithofer, Michael R.; Dobereiner, Graham E.; Schrock, Richard R.; Müller, Peter","Monoaryloxide Pyrrolide (MAP) Imido Alkylidene Complexes of Molybdenum and Tungsten That Contain 2,6-Bis(2,5-R2-pyrrolyl)phenoxide (R = i-Pr, Ph) Ligands and an Unsubstituted Metallacyclobutane on Its Way to Losing Ethylene.","Organometallics","2013","32","9","2489","2492","10.1021/om400114h","","","1.54178","CuKα","","0.0274","0.0266","","","0.0693","0.07","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080710","19.1624","0.0004","15.9182","0.0003","17.2741","0.0003","90","","99.744","0.001","90","","5193.12","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H80 Mo N4 O -","- C57 H80 Mo N4 O -","- C228 H320 Mo4 N16 O4 -","4","1","","Reithofer, Michael R.; Dobereiner, Graham E.; Schrock, Richard R.; Müller, Peter","Monoaryloxide Pyrrolide (MAP) Imido Alkylidene Complexes of Molybdenum and Tungsten That Contain 2,6-Bis(2,5-R2-pyrrolyl)phenoxide (R = i-Pr, Ph) Ligands and an Unsubstituted Metallacyclobutane on Its Way to Losing Ethylene.","Organometallics","2013","32","9","2489","2492","10.1021/om400114h","","","1.54178","CuKα","","0.0261","0.0251","","","0.0645","0.0653","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080711","13.2795","0.0006","13.6061","0.0006","14.0913","0.0007","62.083","0.001","81.703","0.001","86.455","0.001","2226.16","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H54 N4 O W -","- C57 H54 N4 O W -","- C114 H108 N8 O2 W2 -","2","1","","Reithofer, Michael R.; Dobereiner, Graham E.; Schrock, Richard R.; Müller, Peter","Monoaryloxide Pyrrolide (MAP) Imido Alkylidene Complexes of Molybdenum and Tungsten That Contain 2,6-Bis(2,5-R2-pyrrolyl)phenoxide (R = i-Pr, Ph) Ligands and an Unsubstituted Metallacyclobutane on Its Way to Losing Ethylene.","Organometallics","2013","32","9","2489","2492","10.1021/om400114h","","","0.71073","MoKα","","0.029","0.0246","","","0.0565","0.0579","","","","","","1.078","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080712","8.3847","0.0004","22.048","0.001","29.1904","0.0013","90","","90","","90","","5396.3","0.4","83","2","83","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 La Si3 -","- C24 H39 La Si3 -","- C192 H312 La8 Si24 -","8","1","","Peterson, Jeffrey K.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Synthetic Aspects of (C5H4SiMe3)3Ln Rare-Earth Chemistry: Formation of (C5H4SiMe3)3Lu via [(C5H4SiMe3)2Ln]+Metallocene Precursors","Organometallics","2013","32","9","2625","","10.1021/om400116d","","","0.71073","MoKα","","0.0261","0.022","","","0.0543","0.0568","","","","","","1.104","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080713","12.7444","0.0007","13.6852","0.0007","16.2057","0.0008","93.4058","0.0006","94.5966","0.0006","106.67","0.0006","2688.9","0.2","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H39 La O Si2 -","- C25 H39 La O Si2 -","- C100 H156 La4 O4 Si8 -","4","2","","Peterson, Jeffrey K.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Synthetic Aspects of (C5H4SiMe3)3Ln Rare-Earth Chemistry: Formation of (C5H4SiMe3)3Lu via [(C5H4SiMe3)2Ln]+Metallocene Precursors","Organometallics","2013","32","9","2625","","10.1021/om400116d","","","0.71073","MoKα","","0.0263","0.0215","","","0.0517","0.0538","","","","","","1.027","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080714","25.766","0.002","13.5773","0.0011","17.9154","0.0015","90","","90","","90","","6267.4","0.9","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H47 La O Si3 -","- C28 H47 La O Si3 -","- C224 H376 La8 O8 Si24 -","8","2","","Peterson, Jeffrey K.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Synthetic Aspects of (C5H4SiMe3)3Ln Rare-Earth Chemistry: Formation of (C5H4SiMe3)3Lu via [(C5H4SiMe3)2Ln]+Metallocene Precursors","Organometallics","2013","32","9","2625","","10.1021/om400116d","","","0.71073","MoKα","","0.068","0.0655","","","0.161","0.1631","","","","","","1.143","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080715","8.1546","0.0004","22.3062","0.0011","28.6176","0.0014","90","","90","","90","","5205.5","0.4","83","2","83","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Lu Si3 -","- C24 H39 Lu Si3 -","- C192 H312 Lu8 Si24 -","8","1","","Peterson, Jeffrey K.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Synthetic Aspects of (C5H4SiMe3)3Ln Rare-Earth Chemistry: Formation of (C5H4SiMe3)3Lu via [(C5H4SiMe3)2Ln]+Metallocene Precursors","Organometallics","2013","32","9","2625","","10.1021/om400116d","","","0.71073","MoKα","","0.0218","0.0181","","","0.0397","0.0412","","","","","","1.108","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080716","10.7315","0.0006","12.7032","0.0007","17.8457","0.001","101.1","0.0006","99.6938","0.0006","107.192","0.0005","2213.8","0.2","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H130 Lu4 Si8 -","- C82 H130 Lu4 Si8 -","- C82 H130 Lu4 Si8 -","1","0.5","","Peterson, Jeffrey K.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Synthetic Aspects of (C5H4SiMe3)3Ln Rare-Earth Chemistry: Formation of (C5H4SiMe3)3Lu via [(C5H4SiMe3)2Ln]+Metallocene Precursors","Organometallics","2013","32","9","2625","","10.1021/om400116d","","","0.71073","MoKα","","0.0226","0.0201","","","0.0489","0.05","","","","","","1.022","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080717","13.8245","0.0008","19.0919","0.0012","19.5594","0.0012","87.268","0.0007","76.6168","0.0007","78.7567","0.0007","4925.8","0.5","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H70 B Lu O3 Si2 -","- C52 H70 B Lu O3 Si2 -","- C208 H280 B4 Lu4 O12 Si8 -","4","2","","Peterson, Jeffrey K.; MacDonald, Matthew R.; Ziller, Joseph W.; Evans, William J.","Synthetic Aspects of (C5H4SiMe3)3Ln Rare-Earth Chemistry: Formation of (C5H4SiMe3)3Lu via [(C5H4SiMe3)2Ln]+Metallocene Precursors","Organometallics","2013","32","9","2625","","10.1021/om400116d","","","0.71073","MoKα","","0.0594","0.0477","","","0.1184","0.1274","","","","","","1.032","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080718","14.6958","0.0009","9.821","0.0007","18.2435","0.0014","90","","102.543","0.004","90","","2570.2","0.3","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H71 N O2 P2 Ru -","- C57 H71 N O2 P2 Ru -","- C114 H142 N2 O4 P4 Ru2 -","2","1","","Nakajima, Yumiko; Okamoto, Yuki; Chang, Yung-Hung; Ozawa, Fumiyuki","Synthesis, Structures, and Reactivity of Ruthenium Complexes with PNP-pincer Type Phosphaalkene Ligands","Organometallics","2013","32","10","2918","","10.1021/om400126v","","","0.71075","MoKα","","0.2128","0.1126","","","0.1783","0.2276","","","","","","1.179","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080719","10.821","0.006","15.463","0.008","16.36","0.009","91.304","0.007","91.307","0.011","96.082","0.014","2720","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H74 N O2 P2 Ru -","- C60 H74 N O2 P2 Ru -","- C120 H148 N2 O4 P4 Ru2 -","2","1","","Nakajima, Yumiko; Okamoto, Yuki; Chang, Yung-Hung; Ozawa, Fumiyuki","Synthesis, Structures, and Reactivity of Ruthenium Complexes with PNP-pincer Type Phosphaalkene Ligands","Organometallics","2013","32","10","2918","","10.1021/om400126v","","","0.7107","MoKα","","0.1406","0.0829","","","0.1831","0.2231","","","","","","1.032","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080720","9.9725","0.0001","19.8126","0.0003","27.5036","0.0005","90","","90","","90","","5434.19","0.14","103","2","103","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C59 H74.5 Cl N O2 P2 Ru -","- C59 H70 Cl N O2 P2 Ru -","- C236 H280 Cl4 N4 O8 P8 Ru4 -","4","1","","Nakajima, Yumiko; Okamoto, Yuki; Chang, Yung-Hung; Ozawa, Fumiyuki","Synthesis, Structures, and Reactivity of Ruthenium Complexes with PNP-pincer Type Phosphaalkene Ligands","Organometallics","2013","32","10","2918","","10.1021/om400126v","","","0.71075","MoKα","","0.073","0.0505","","","0.1123","0.128","","","","","","1.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080721","10.4103","0.0013","18.63","0.002","17.843","0.002","90","","98.353","0.001","90","","3423.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 N4 Ni -","- C40 H48 N4 Ni -","- C160 H192 N16 Ni4 -","4","1","","Dong, Qingsong; Su, Ji-Hu; Gong, Shida; Li, Qian-Shu; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Nickel Complexes with Two Types of Noninnocent Ligands: α-Diimine and Phenazine","Organometallics","2013","32","9","2866","","10.1021/om400130m","","","0.71073","MoKα","","0.0341","0.0295","","","0.0847","0.0911","","","","","","1.034","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080722","10.7791","0.0017","13.479","0.002","15.832","0.002","94.52","0.002","107.634","0.002","102.176","0.002","2117.6","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H128 K2 N6 Ni2 O6 -","- C84 H128 K2 N6 Ni2 O6 -","- C84 H128 K2 N6 Ni2 O6 -","1","0.5","","Dong, Qingsong; Su, Ji-Hu; Gong, Shida; Li, Qian-Shu; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan","Nickel Complexes with Two Types of Noninnocent Ligands: α-Diimine and Phenazine","Organometallics","2013","32","9","2866","","10.1021/om400130m","","","0.71073","MoKα","","0.0608","0.0509","","","0.1483","0.1662","","","","","","1.06","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080723","9.3713","0.0006","14.2239","0.001","21.3991","0.0014","90","","102.677","0.004","90","","2782.9","0.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cl12 Ge2 P4 S4 Sn2 -","- C40 H32 Cl12 Ge2 P4 S4 Sn2 -","- C80 H64 Cl24 Ge4 P8 S8 Sn4 -","2","0.5","","Yang, Yi-Fan; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Tin(II) 1,3-Benzodi(thiophosphinoyl)methanediide Complex toward Gallium, Germanium, and Zinc Compounds","Organometallics","2013","32","9","2643","","10.1021/om400141j","","","0.71073","MoKα","","0.062","0.0545","","","0.1612","0.1688","","","","","","1.14","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080724","10.2102","0.0002","10.9838","0.0002","13.0334","0.0003","78.538","0.001","69.729","0.001","65.482","0.001","1244.9","0.05","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H48 P4 S6 Sn2 Zn2 -","- C46 H48 P4 S6 Sn2 Zn2 -","- C46 H48 P4 S6 Sn2 Zn2 -","1","0.5","","Yang, Yi-Fan; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Tin(II) 1,3-Benzodi(thiophosphinoyl)methanediide Complex toward Gallium, Germanium, and Zinc Compounds","Organometallics","2013","32","9","2643","","10.1021/om400141j","","","0.71073","MoKα","","0.0291","0.0223","","","0.0537","0.0573","","","","","","1.049","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080725","17.431","0.0006","14.8843","0.0005","20.4573","0.0007","90","","105.154","0.002","90","","5123","0.3","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H64 Cl20 Ga4 P8 S8 Sn4 -","- C80 H64 Cl20 Ga4 P8 S8 Sn4 -","- C160 H128 Cl40 Ga8 P16 S16 Sn8 -","2","0.5","","Yang, Yi-Fan; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai","Reactivity of a Tin(II) 1,3-Benzodi(thiophosphinoyl)methanediide Complex toward Gallium, Germanium, and Zinc Compounds","Organometallics","2013","32","9","2643","","10.1021/om400141j","","","0.71073","MoKα","","0.0572","0.0351","","","0.0915","0.1137","","","","","","1.083","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080726","23.573","0.002","8.5014","0.0008","25.957","0.002","90","","106.897","0.001","90","","4977.3","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 Cl Ni O2 P2 -","- C22 H33 Cl Ni O2 P2 -","- C176 H264 Cl8 Ni8 O16 P16 -","8","2","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.0433","0.0344","","","0.0861","0.0894","","","","","","0.967","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080727","34.216","0.004","8.292","0.0009","19.034","0.002","90","","108.934","0.002","90","","5108.1","1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H33 Cl O2 P2 Pd -","- C22 H33 Cl O2 P2 Pd -","- C176 H264 Cl8 O16 P16 Pd8 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.0424","0.0318","","","0.0669","0.0699","","","","","","0.946","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080728","16.787","0.001","13.557","0.001","27.926","0.001","90","","90.041","0.001","90","","6355.4","0.6","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Cl F6 Ni O P3 Ru -","- C27 H38 Cl F6 Ni O2 P3 Ru -","- C216 H304 Cl8 F48 Ni8 O16 P24 Ru8 -","8","2","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71069","MoKα","","0.0364","0.034","","","0.0845","0.0865","","","","","","1.043","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080729","16.9395","0.0011","13.5596","0.0009","28.602","0.002","90","","90","","90","","6569.7","0.8","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl F6 O2 P3 Pd Ru -","- C27 H38 Cl F6 O2 P3 Pd Ru -","- C216 H304 Cl8 F48 O16 P24 Pd8 Ru8 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.1424","0.086","","","0.2031","0.2271","","","","","","1.153","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080730","16.832","0.001","13.431","0.001","28.285","0.001","90","","90.051","0.001","90","","6394.4","0.6","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Cl F6 O2 P3 Pt Ru -","- C27 H38 Cl F6 O2 P3 Pt Ru -","- C216 H304 Cl8 F48 O16 P24 Pt8 Ru8 -","8","2","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71069","MoKα","","0.0524","0.046","","","0.0937","0.0963","","","","","","1.078","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080731","17.0269","0.0014","13.2282","0.0011","28.684","0.002","90","","90","","90","","6460.6","0.9","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl F6 Fe Ni O2 P3 -","- C27 H38 Cl F6 Fe Ni O2 P3 -","- C216 H304 Cl8 F48 Fe8 Ni8 O16 P24 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.1499","0.0801","","","0.1823","0.2134","","","","","","1.008","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080732","17.074","0.002","13.2009","0.0016","29.002","0.004","90","","90","","90","","6536.8","1.4","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl F6 Fe O2 P3 Pd -","- C27 H38 Cl F6 Fe O2 P3 Pd -","- C216 H304 Cl8 F48 Fe8 O16 P24 Pd8 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.1955","0.0718","","","0.1502","0.1899","","","","","","0.898","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080733","17.0443","0.0012","13.1286","0.0009","29.024","0.002","90","","90","","90","","6494.6","0.8","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H38 Cl F6 Fe O2 P3 Pt -","- C27 H38 Cl F6 Fe O2 P3 Pt -","- C216 H304 Cl8 F48 Fe8 O16 P24 Pt8 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.1093","0.0588","","","0.1365","0.154","","","","","","0.943","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080734","35.728","0.001","10.946","0.001","15.424","0.001","90","","109.585","0.001","90","","5683","0.7","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H33 Cl Cr Ni O5 P2 -","- C25 H33 Cl Cr Ni O5 P2 -","- C200 H264 Cl8 Cr8 Ni8 O40 P16 -","8","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71069","MoKα","","0.0616","0.0492","","","0.1071","0.1144","","","","","","1.091","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080735","11.488","0.001","13.505","0.001","18.355","0.001","90","","90","","90","","2847.7","0.4","150","0.1","150","0.1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl Cr O5 P2 Pd -","- C25 H33 Cl Cr O5 P2 Pd -","- C100 H132 Cl4 Cr4 O20 P8 Pd4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71069","MoKα","","0.0209","0.0204","","","0.0501","0.0505","","","","","","1.081","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080736","11.5738","0.001","13.6509","0.0012","18.4648","0.0016","90","","90","","90","","2917.3","0.4","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Cl Cr O5 P2 Pt -","- C25 H33 Cl Cr O5 P2 Pt -","- C100 H132 Cl4 Cr4 O20 P8 Pt4 -","4","1","","Espinosa-Jalapa, Noel Ángel; Hernández-Ortega, Simón; Le Goff, Xavier-Fredéric; Morales-Morales, David; Djukic, Jean-Pierre; Le Lagadec, Ronan","Coordination of 12-Electron Organometallic Fragments to the Arene Ring of Nonsymmetric Group 10 POCOP Pincer Complexes","Organometallics","2013","32","9","2661","","10.1021/om400147x","","","0.71073","MoKα","","0.0236","0.0214","","","0.0488","0.0497","","","","","","1","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080737","9.8762","0.0003","10.5856","0.0003","12.9701","0.0004","72.002","0.003","69.415","0.003","64.541","0.003","1125.96","0.07","100.6","","100.6","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H24 N3 P -","- C28 H24 N3 P -","- C56 H48 N6 P2 -","2","1","","Wanniarachchi, Sarath; Hewage, Jeewantha S.; Lindeman, Sergey V.; Gardinier, James R.","Rhodium Complexes of a New Structurally Adaptive PNN-Pincer Type Ligand","Organometallics","2013","32","10","2885","","10.1021/om400151e","","","0.7107","MoKα","","0.0391","0.0354","","","0.0866","0.0894","","","","","","1.069","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080738","11.5283","0.0004","13.2391","0.0005","14.1743","0.0005","63.183","0.004","89.65","0.003","74.92","0.003","1848.59","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C39 H43.4 N5 P Rh -","- C39.001 H43.402 N5 P Rh -","- C78.002 H86.804 N10 P2 Rh2 -","2","1","","Wanniarachchi, Sarath; Hewage, Jeewantha S.; Lindeman, Sergey V.; Gardinier, James R.","Rhodium Complexes of a New Structurally Adaptive PNN-Pincer Type Ligand","Organometallics","2013","32","10","2885","","10.1021/om400151e","","","0.7107","MoKα","","0.0398","0.03","","","0.0609","0.0667","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080739","9.8201","0.0003","13.408","0.0004","15.699","0.0006","76.809","0.003","77.066","0.003","69.199","0.003","1858.04","0.11","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C40 H41 I N4 P Rh -","- C40 H41 I N4 P Rh -","- C80 H82 I2 N8 P2 Rh2 -","2","1","","Wanniarachchi, Sarath; Hewage, Jeewantha S.; Lindeman, Sergey V.; Gardinier, James R.","Rhodium Complexes of a New Structurally Adaptive PNN-Pincer Type Ligand","Organometallics","2013","32","10","2885","","10.1021/om400151e","","","0.7107","MoKα","","0.0359","0.0268","","","0.0528","0.0582","","","","","","1.055","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080740","11.1383","0.0004","13.5899","0.0006","15.4823","0.0005","81.434","0.003","77.878","0.003","87.488","0.003","2265.53","0.15","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H53 I N5 P Rh -","- C48 H53 I N5 P Rh -","- C96 H106 I2 N10 P2 Rh2 -","2","1","","Wanniarachchi, Sarath; Hewage, Jeewantha S.; Lindeman, Sergey V.; Gardinier, James R.","Rhodium Complexes of a New Structurally Adaptive PNN-Pincer Type Ligand","Organometallics","2013","32","10","2885","","10.1021/om400151e","","","0.7107","MoKα","","0.0415","0.03","","","0.0602","0.0679","","","","","","1.066","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080741","10.7444","0.0003","14.5778","0.0004","15.3318","0.0004","100.965","0.002","104.59","0.003","103.059","0.003","2184.71","0.12","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H50 I N5 P Rh -","- C45 H50 I N5 P Rh -","- C90 H100 I2 N10 P2 Rh2 -","2","1","","Wanniarachchi, Sarath; Hewage, Jeewantha S.; Lindeman, Sergey V.; Gardinier, James R.","Rhodium Complexes of a New Structurally Adaptive PNN-Pincer Type Ligand","Organometallics","2013","32","10","2885","","10.1021/om400151e","","","0.7107","MoKα","","0.0443","0.0308","","","0.0638","0.0716","","","","","","1.07","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080742","10.9887","0.0005","13.716","0.0006","16.4225","0.0007","106.957","0.004","95.347","0.004","104.978","0.004","2248.79","0.19","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C41 H48 Cl4 I N5 P Rh -","- C41 H48 Cl4 I N5 P Rh -","- C82 H96 Cl8 I2 N10 P2 Rh2 -","2","1","","Wanniarachchi, Sarath; Hewage, Jeewantha S.; Lindeman, Sergey V.; Gardinier, James R.","Rhodium Complexes of a New Structurally Adaptive PNN-Pincer Type Ligand","Organometallics","2013","32","10","2885","","10.1021/om400151e","","","0.7107","MoKα","","0.0479","0.0321","","","0.063","0.0718","","","","","","1.06","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080743","10.6257","0.0004","13.1378","0.0005","15.8308","0.0006","97.659","0.003","107.384","0.003","111.238","0.004","1891.93","0.15","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H44 I N5 O0.25 P Rh -","- C39 H44 I N5 O0.253 P Rh -","- C78 H88 I2 N10 O0.506 P2 Rh2 -","2","1","","Wanniarachchi, Sarath; Hewage, Jeewantha S.; Lindeman, Sergey V.; Gardinier, James R.","Rhodium Complexes of a New Structurally Adaptive PNN-Pincer Type Ligand","Organometallics","2013","32","10","2885","","10.1021/om400151e","","","1.5418","CuKα","","0.0297","0.0255","","","0.0616","0.0641","","","","","","1.031","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080744","9.7284","0.0001","30.8098","0.0004","11.1839","0.0002","90","","96.5977","0.0006","90","","3329.95","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H44 B2 Fe -","- C42 H44 B2 Fe -","- C168 H176 B8 Fe4 -","4","1","","Kelly, Michael J.; Broomsgrove, Alexander E.J.; Morgan, Ian R.; Siewert, Inke; Fitzpatrick, Philip; Smart, Jessica; Vidovic, Dragoslav; Aldridge, Simon","Syntheses and Anion Binding Capabilities of Bis(diarylboryl) Ferrocenes and Related Systems","Organometallics","2013","32","9","2674","","10.1021/om400152x","","","0.71073","MoKα","","0.0662","0.0428","","0.1024","0.0927","0.1024","","","","","","0.9647","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080745","12.8992","0.0002","13.3331","0.0002","15.6365","0.0002","96.9261","0.0006","112.531","0.0006","90.6447","0.0006","2461.02","0.06","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C51 H62 B2 Fe -","- C51 H62 B2 Fe -","- C102 H124 B4 Fe2 -","2","1","","Kelly, Michael J.; Broomsgrove, Alexander E.J.; Morgan, Ian R.; Siewert, Inke; Fitzpatrick, Philip; Smart, Jessica; Vidovic, Dragoslav; Aldridge, Simon","Syntheses and Anion Binding Capabilities of Bis(diarylboryl) Ferrocenes and Related Systems","Organometallics","2013","32","9","2674","","10.1021/om400152x","","","0.71073","MoKα","","0.0706","0.0531","","0.1663","0.1537","0.1663","","","","","","0.9553","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080746","14.9853","0.0002","8.9111","0.0001","20.9","0.0003","90","","96.4694","0.0005","90","","2773.12","0.06","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 B Fe O Si -","- C31 H39 B Fe O Si -","- C124 H156 B4 Fe4 O4 Si4 -","4","1","","Kelly, Michael J.; Broomsgrove, Alexander E.J.; Morgan, Ian R.; Siewert, Inke; Fitzpatrick, Philip; Smart, Jessica; Vidovic, Dragoslav; Aldridge, Simon","Syntheses and Anion Binding Capabilities of Bis(diarylboryl) Ferrocenes and Related Systems","Organometallics","2013","32","9","2674","","10.1021/om400152x","","","0.71073","MoKα","","0.0556","0.0434","","0.0981","0.0902","0.0981","","","","","","0.9131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080747","21.6605","0.0002","13.7952","0.0001","22.3255","0.0001","90","","109.212","0.001","90","","6299.57","0.09","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61.25 H79.75 B2 Cl3.75 Fe K N O6.25 -","- C61.25 H79.75 B2 Cl3.75 Fe K N O6.25 -","- C245 H319 B8 Cl15 Fe4 K4 N4 O25 -","4","1","","Kelly, Michael J.; Broomsgrove, Alexander E.J.; Morgan, Ian R.; Siewert, Inke; Fitzpatrick, Philip; Smart, Jessica; Vidovic, Dragoslav; Aldridge, Simon","Syntheses and Anion Binding Capabilities of Bis(diarylboryl) Ferrocenes and Related Systems","Organometallics","2013","32","9","2674","","10.1021/om400152x","","","0.71073","MoKα","","0.1375","0.0932","","","0.252","0.2875","","","","","","1.039","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080748","23.32","0.0004","16.034","0.0003","22.3901","0.0004","90","","113.478","0.0009","90","","7678.8","0.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H110 B2 Fe K2 N2 O13 -","- C76 H110 B2 Fe K2 N2 O13 -","- C304 H440 B8 Fe4 K8 N8 O52 -","4","0.5","","Kelly, Michael J.; Broomsgrove, Alexander E.J.; Morgan, Ian R.; Siewert, Inke; Fitzpatrick, Philip; Smart, Jessica; Vidovic, Dragoslav; Aldridge, Simon","Syntheses and Anion Binding Capabilities of Bis(diarylboryl) Ferrocenes and Related Systems","Organometallics","2013","32","9","2674","","10.1021/om400152x","","","0.71073","MoKα","","0.1618","0.14","","","0.3115","0.32","","","","","","1.2","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080749","11.06","0.0003","12.3916","0.0002","14.034","0.0003","64.573","0.001","75.472","0.001","79.957","0.001","1676.62","0.07","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H88 B2 F4 Fe K2 N2 O12 -","- C68 H88 B2 F4 Fe K2 N2 O12 -","- C68 H88 B2 F4 Fe K2 N2 O12 -","1","0.5","","Kelly, Michael J.; Broomsgrove, Alexander E.J.; Morgan, Ian R.; Siewert, Inke; Fitzpatrick, Philip; Smart, Jessica; Vidovic, Dragoslav; Aldridge, Simon","Syntheses and Anion Binding Capabilities of Bis(diarylboryl) Ferrocenes and Related Systems","Organometallics","2013","32","9","2674","","10.1021/om400152x","","","0.71073","MoKα","","0.0816","0.064","","","0.1554","0.1666","","","","","","1.187","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080750","12.4769","0.0002","14.4345","0.0002","24.4216","0.0004","90","","92.3848","0.0005","90","","4394.47","0.12","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H61 B F Fe K O7 Si -","- C42 H61 B F Fe K O7 Si -","- C168 H244 B4 F4 Fe4 K4 O28 Si4 -","4","1","","Kelly, Michael J.; Broomsgrove, Alexander E.J.; Morgan, Ian R.; Siewert, Inke; Fitzpatrick, Philip; Smart, Jessica; Vidovic, Dragoslav; Aldridge, Simon","Syntheses and Anion Binding Capabilities of Bis(diarylboryl) Ferrocenes and Related Systems","Organometallics","2013","32","9","2674","","10.1021/om400152x","","","0.71073","MoKα","","0.082","0.0495","","0.1099","0.098","0.1099","","","","","","0.9461","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4080751","12.81313","0.00012","17.36807","0.00016","20.2116","0.0002","90","","90.3773","0.001","90","","4497.78","0.07","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H72.09 B Fe N2 O Si -","- C47 H72.087 B Fe N2 O Si -","- C188 H288.348 B4 Fe4 N8 O4 Si4 -","4","1","","Kelly, Michael J.; Broomsgrove, Alexander E.J.; Morgan, Ian R.; Siewert, Inke; Fitzpatrick, Philip; Smart, Jessica; Vidovic, Dragoslav; Aldridge, Simon","Syntheses and Anion Binding Capabilities of Bis(diarylboryl) Ferrocenes and Related Systems","Organometallics","2013","32","9","2674","","10.1021/om400152x","","","1.54184","CuKα","","0.0599","0.0537","","0.1317","0.1239","0.1317","","","","","","0.8767","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4080752","11.4886","0.0007","13.1892","0.0007","16.2447","0.0009","98.342","0.001","92.895","0.001","93.204","0.001","2427.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H67 N O2 Zr -","- C58 H67 N O2 Zr -","- C116 H134 N2 O4 Zr2 -","2","1","","Nifant’ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Nagy, Sandor M.; Mihan, Shahram; Winslow, Linda N.; Churakov, Andrei V.","Reaction of 2,8-Bis(o-hydroxyaryl)quinolines with Group 4 Metal Alkyls Resulting in Three Distinct Coordination Modes of the Tridentate Ligand. X-ray Structure of Complexes and Performance as Precursors in Ethylene Polymerization Catalysis","Organometallics","2013","32","9","2685","","10.1021/om4001555","","","0.71073","MoKα","","0.0532","0.041","","","0.0941","0.0989","","","","","","1.064","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080753","11.5053","0.0006","13.2076","0.0007","16.2475","0.0009","98.307","0.001","92.71","0.001","93.23","0.001","2435.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H67 Hf N O2 -","- C58 H67 Hf N O2 -","- C116 H134 Hf2 N2 O4 -","2","1","","Nifant’ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Nagy, Sandor M.; Mihan, Shahram; Winslow, Linda N.; Churakov, Andrei V.","Reaction of 2,8-Bis(o-hydroxyaryl)quinolines with Group 4 Metal Alkyls Resulting in Three Distinct Coordination Modes of the Tridentate Ligand. X-ray Structure of Complexes and Performance as Precursors in Ethylene Polymerization Catalysis","Organometallics","2013","32","9","2685","","10.1021/om4001555","","","0.71073","MoKα","","0.0353","0.0303","","","0.069","0.0708","","","","","","1.04","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080754","12.4137","0.0017","20.891","0.003","34.987","0.005","90","","90.174","0.002","90","","9073","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C107 H130 N2 O4 Ti2 -","- C107 H130 N2 O4 Ti2 -","- C428 H520 N8 O16 Ti8 -","4","0.5","","Nifant’ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Nagy, Sandor M.; Mihan, Shahram; Winslow, Linda N.; Churakov, Andrei V.","Reaction of 2,8-Bis(o-hydroxyaryl)quinolines with Group 4 Metal Alkyls Resulting in Three Distinct Coordination Modes of the Tridentate Ligand. X-ray Structure of Complexes and Performance as Precursors in Ethylene Polymerization Catalysis","Organometallics","2013","32","9","2685","","10.1021/om4001555","","","0.71073","MoKα","","0.1305","0.0758","","","0.1802","0.2014","","","","","","1.069","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080755","7.7246","0.0015","11.666","0.002","29.958","0.006","90","","90","","90","","2699.7","0.9","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H47 Cl Ni2 P2 -","- C23 H47 Cl Ni2 P2 -","- C92 H188 Cl4 Ni8 P8 -","4","1","","Beck, Robert; Johnson, Samuel A.","Dinuclear Ni(I)—Ni(I) Complexes with Syn-Facial Bridging Ligands from Ni(I) Precursors or Ni(II)/Ni(0) Comproportionation","Organometallics","2013","32","10","2944","","10.1021/om4001633","","","0.71073","MoKα","","0.0712","0.0523","","","0.1016","0.1099","","","","","","1.026","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080756","16.456","0.003","8.149","0.0016","22.477","0.005","90","","95","0.03","90","","3002.7","1.1","173","2","173.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H49 Cl Ni2 P2 -","- C27 H49 Cl Ni2 P2 -","- C108 H196 Cl4 Ni8 P8 -","4","1","","Beck, Robert; Johnson, Samuel A.","Dinuclear Ni(I)—Ni(I) Complexes with Syn-Facial Bridging Ligands from Ni(I) Precursors or Ni(II)/Ni(0) Comproportionation","Organometallics","2013","32","10","2944","","10.1021/om4001633","","","0.71073","MoKα","","0.05","0.0368","","","0.0839","0.0954","","","","","","1.04","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080757","7.776","0.0009","14.0565","0.0017","14.5394","0.0017","96.64","0.002","96.441","0.002","90.256","0.002","1568.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H26 Cl Ni P -","- C14 H26 Cl Ni P -","- C56 H104 Cl4 Ni4 P4 -","4","2","","Beck, Robert; Johnson, Samuel A.","Dinuclear Ni(I)—Ni(I) Complexes with Syn-Facial Bridging Ligands from Ni(I) Precursors or Ni(II)/Ni(0) Comproportionation","Organometallics","2013","32","10","2944","","10.1021/om4001633","","","0.71073","MoKα","","0.0796","0.0507","","","0.0939","0.106","","","","","","0.998","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080758","14.641","0.003","16.122","0.003","16.613","0.003","90","","107.6","0.03","90","","3737.8","1.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl Ni P -","- C18 H28 Cl Ni P -","- C144 H224 Cl8 Ni8 P8 -","8","2","","Beck, Robert; Johnson, Samuel A.","Dinuclear Ni(I)—Ni(I) Complexes with Syn-Facial Bridging Ligands from Ni(I) Precursors or Ni(II)/Ni(0) Comproportionation","Organometallics","2013","32","10","2944","","10.1021/om4001633","","","0.71073","MoKα","","0.0959","0.0533","","","0.1013","0.1207","","","","","","1.01","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080759","7.4557","0.0015","17.27","0.003","16.264","0.005","90","","108.57","0.03","90","","1985.1","0.9","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Cl Ni P -","- C18 H34 Cl Ni P -","- C72 H136 Cl4 Ni4 P4 -","4","1","","Beck, Robert; Johnson, Samuel A.","Dinuclear Ni(I)—Ni(I) Complexes with Syn-Facial Bridging Ligands from Ni(I) Precursors or Ni(II)/Ni(0) Comproportionation","Organometallics","2013","32","10","2944","","10.1021/om4001633","","","0.71073","MoKα","","0.0628","0.0444","","","0.0956","0.1112","","","","","","1.04","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080760","8.8699","0.0012","10.142","0.002","17.693","0.002","90","","90","","90","","1591.6","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H29 Ni P -","- C15 H29 Ni P -","- C60 H116 Ni4 P4 -","4","1","","Beck, Robert; Johnson, Samuel A.","Dinuclear Ni(I)—Ni(I) Complexes with Syn-Facial Bridging Ligands from Ni(I) Precursors or Ni(II)/Ni(0) Comproportionation","Organometallics","2013","32","10","2944","","10.1021/om4001633","","","0.71073","MoKα","","0.0339","0.0312","","","0.0766","0.0778","","","","","","1.053","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080761","34.726","0.007","11.609","0.002","21.98","0.004","90","","112.26","0.03","90","","8201","3","130.15","","130.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H62 B Cl Ni2 P2 -","- C42 H62 B Cl Ni2 P2 -","- C336 H496 B8 Cl8 Ni16 P16 -","8","1","","Beck, Robert; Johnson, Samuel A.","Dinuclear Ni(I)—Ni(I) Complexes with Syn-Facial Bridging Ligands from Ni(I) Precursors or Ni(II)/Ni(0) Comproportionation","Organometallics","2013","32","10","2944","","10.1021/om4001633","","","0.71073","MoKα","","0.1039","0.0647","","","0.1475","0.1677","","","","","","1.037","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080762","31.6164","0.001","13.6477","0.0005","16.4738","0.0006","90","","92.856","0.003","90","","7099.5","0.4","130","2","130","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","Phtalimide-[1,2-bis(diisopropylphosphanyl)ethane-P,P]-chloro-nickel(II)","","- C22 H36 Cl N Ni O2 P2 -","- C22 H36 Cl N Ni O2 P2 -","- C176 H288 Cl8 N8 Ni8 O16 P16 -","8","1","","Arévalo, Alma; Ovando-Segovia, Sebastián; Flores-Alamo, Marcos; Garc\?ía, Juventino J.","Selective C═O Reduction in Phthalimide with Nickel(0) Compounds","Organometallics","2013","32","10","2939","","10.1021/om400164g","","x-ray","0.71073","MoKα","","0.0749","0.0535","","","0.1605","0.1755","","","","","","1.033","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080763","10.7373","0.0012","22.229","0.002","16.1552","0.0018","90","","116.914","0.007","90","","3438.3","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl2 Fe N2 O2 -","- C38 H36 Cl2 Fe N2 O2 -","- C152 H144 Cl8 Fe4 N8 O8 -","4","1","","Pranckevicius, Conor; Stephan, Douglas W.","Three-Coordinate, Cyclic Bent Allene Iron Complexes","Organometallics","2013","32","9","2693","","10.1021/om400166t","","","0.71073","MoKα","","0.1373","0.0518","","","0.0843","0.1084","","","","","","0.95","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080764","20.1797","0.0011","17.4954","0.001","20.3989","0.0011","90","","90","","90","","7201.9","0.7","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H42 Fe N2 O2 -","- C45 H42 Fe N2 O2 -","- C360 H336 Fe8 N16 O16 -","8","1","","Pranckevicius, Conor; Stephan, Douglas W.","Three-Coordinate, Cyclic Bent Allene Iron Complexes","Organometallics","2013","32","9","2693","","10.1021/om400166t","","","0.71073","MoKα","","0.0677","0.0384","","","0.0778","0.0881","","","","","","1.007","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080765","11.2843","0.0008","12.3459","0.0007","14.57","0.001","109.054","0.003","104.225","0.003","100.875","0.003","1777.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H34 Fe N2 O6 -","- C41 H34 Fe N2 O6 -","- C82 H68 Fe2 N4 O12 -","2","1","","Pranckevicius, Conor; Stephan, Douglas W.","Three-Coordinate, Cyclic Bent Allene Iron Complexes","Organometallics","2013","32","9","2693","","10.1021/om400166t","","","0.71073","MoKα","","0.0495","0.0408","","","0.1125","0.1185","","","","","","1.054","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080766","16.0903","0.0005","16.0903","0.0005","24.508","0.0017","90","","90","","90","","6345.1","0.5","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C33 H46 B O3 Ru3 -","- C33 H46 B O3 Ru3 -","- C264 H368 B8 O24 Ru24 -","8","1","","Yuvaraj, K.; Roy, Dipak Kumar; Geetharani, K.; Mondal, Bijan; Anju, V. P.; Shankhari, Pritam; Ramkumar, V.; Ghosh, Sundargopal","Chemistry of Homo- and Heterometallic Bridged-Borylene Complexes","Organometallics","2013","32","9","2705","","10.1021/om400167f","","","0.71073","MoKα","","0.0447","0.0389","","","0.0943","0.098","","","","","","1.057","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080767","9.74","0.0004","10.3286","0.0005","16.3675","0.0007","96.889","0.002","91.409","0.002","114.007","0.002","1488.39","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 B O13 Ru5 -","- C23 H15 B O13 Ru5 -","- C46 H30 B2 O26 Ru10 -","2","1","","Yuvaraj, K.; Roy, Dipak Kumar; Geetharani, K.; Mondal, Bijan; Anju, V. P.; Shankhari, Pritam; Ramkumar, V.; Ghosh, Sundargopal","Chemistry of Homo- and Heterometallic Bridged-Borylene Complexes","Organometallics","2013","32","9","2705","","10.1021/om400167f","","","0.71073","MoKα","","0.0218","0.0189","","","0.0502","0.0522","","","","","","1.102","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080768","20.8004","0.0009","9.1526","0.0003","18.0342","0.0009","90","","114.666","0.005","90","","3120","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 B O8 Ru4 -","- C28 H30 B O8 Ru4 -","- C112 H120 B4 O32 Ru16 -","4","0.5","","Yuvaraj, K.; Roy, Dipak Kumar; Geetharani, K.; Mondal, Bijan; Anju, V. P.; Shankhari, Pritam; Ramkumar, V.; Ghosh, Sundargopal","Chemistry of Homo- and Heterometallic Bridged-Borylene Complexes","Organometallics","2013","32","9","2705","","10.1021/om400167f","","","0.71073","MoKα","","0.0258","0.0225","","","0.0525","0.0547","","","","","","1.07","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080769","11.5889","0.0015","16.792","0.003","17.681","0.003","88.594","0.006","89.689","0.006","89.718","0.006","3439.6","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H41 B Fe2 O7 Ru2 Si -","- C32 H41 B Fe2 O7 Ru2 Si -","- C128 H164 B4 Fe8 O28 Ru8 Si4 -","4","2","","Yuvaraj, K.; Roy, Dipak Kumar; Geetharani, K.; Mondal, Bijan; Anju, V. P.; Shankhari, Pritam; Ramkumar, V.; Ghosh, Sundargopal","Chemistry of Homo- and Heterometallic Bridged-Borylene Complexes","Organometallics","2013","32","9","2705","","10.1021/om400167f","","","0.71073","MoKα","","0.1111","0.0724","","","0.161","0.1858","","","","","","1.047","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080770","10.972","0.002","12.542","0.002","15.935","0.003","90","","90","","90","","2192.8","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 F6 N2 P2 -","- C20 H24 F6 N2 P2 -","- C80 H96 F24 N8 P8 -","4","1","","You, Hongxing; Wang, Yongyong; Zhao, Xiaoli; Chen, Shengjie; Liu, Ye","Stable Ionic Rh(I,II,III) Complexes Ligated by an Imidazolium-Substituted Phosphine with π-Acceptor Character: Synthesis, Characterization, and Application to Hydroformylation","Organometallics","2013","32","9","2698","","10.1021/om400171t","","","0.71073","MoKα","","0.0638","0.0541","","","0.1494","0.1603","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4080771","8.6869","0.0002","11.0411","0.0003","15.9693","0.0004","96.296","0.001","96.046","0.001","97.935","0.001","1496.52","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H31 F6 N2 O3 P2 Rh -","- C26 H31 F6 N2 O3 P2 Rh -","- C52 H62 F12 N4 O6 P4 Rh2 -","2","1","","You, Hongxing; Wang, Yongyong; Zhao, Xiaoli; Chen, Shengjie; Liu, Ye","Stable Ionic Rh(I,II,III) Complexes Ligated by an Imidazolium-Substituted Phosphine with π-Acceptor Character: Synthesis, Characterization, and Application to Hydroformylation","Organometallics","2013","32","9","2698","","10.1021/om400171t","","","0.71073","MoKα","","0.0392","0.0346","","","0.0934","0.0978","","","","","","1.033","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080772","15.0023","0.0005","15.6987","0.0005","12.3254","0.0004","90","","90","","90","","2902.84","0.16","296","2","296","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C24 H30 F6 N2 O4 P2 Rh -","- C24 H30 F6 N2 O4 P2 Rh -","- C96 H120 F24 N8 O16 P8 Rh4 -","4","1","","You, Hongxing; Wang, Yongyong; Zhao, Xiaoli; Chen, Shengjie; Liu, Ye","Stable Ionic Rh(I,II,III) Complexes Ligated by an Imidazolium-Substituted Phosphine with π-Acceptor Character: Synthesis, Characterization, and Application to Hydroformylation","Organometallics","2013","32","9","2698","","10.1021/om400171t","","","0.71073","MoKα","","0.039","0.0325","","","0.0906","0.0978","","","","","","1.059","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080773","25.2518","0.0016","9.6885","0.0006","22.8601","0.0014","90","","104.213","0.002","90","","5421.6","0.6","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C46 H60 Cl4 F6 N4 O2 P3 Rh -","- C46 H60 Cl4 F6 N4 O2 P3 Rh -","- C184 H240 Cl16 F24 N16 O8 P12 Rh4 -","4","0.5","","You, Hongxing; Wang, Yongyong; Zhao, Xiaoli; Chen, Shengjie; Liu, Ye","Stable Ionic Rh(I,II,III) Complexes Ligated by an Imidazolium-Substituted Phosphine with π-Acceptor Character: Synthesis, Characterization, and Application to Hydroformylation","Organometallics","2013","32","9","2698","","10.1021/om400171t","","","0.71073","MoKα","","0.0922","0.0553","","","0.1416","0.17","","","","","","1.047","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080774","17.9558","0.0015","17.9642","0.0015","22.2095","0.0019","95.203","0.002","95.103","0.002","96.819","0.002","7047.8","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H45 B3 Co2 -","- C42 H45 B3 Co2 -","- C336 H360 B24 Co16 -","8","4","","Muratov, Dmitry V.; Romanov, Alexander S.; Timofeeva, Tatiana V.; Siebert, Walter; Corsini, Maddalena; Fedi, Serena; Zanello, Piero; Kudinov, Alexander R.","Monocationic μ-Diborolyl Triple-Decker Complexes [CpCo(μ-1,3-C3B2Me5)M(ring)]+: Synthesis, Structures, and Electrochemistry","Organometallics","2013","32","9","2713","","10.1021/om400178n","","","0.71073","MoKα","","0.0625","0.0393","","","0.0763","0.0836","","","","","","1.026","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080775","8.6366","0.0007","11.5923","0.0009","13.6427","0.0011","99.277","0.002","105.566","0.003","95.297","0.002","1285.3","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H35 B2 Co2 F6 P -","- C23 H35 B2 Co2 F6 P -","- C46 H70 B4 Co4 F12 P2 -","2","1","","Muratov, Dmitry V.; Romanov, Alexander S.; Timofeeva, Tatiana V.; Siebert, Walter; Corsini, Maddalena; Fedi, Serena; Zanello, Piero; Kudinov, Alexander R.","Monocationic μ-Diborolyl Triple-Decker Complexes [CpCo(μ-1,3-C3B2Me5)M(ring)]+: Synthesis, Structures, and Electrochemistry","Organometallics","2013","32","9","2713","","10.1021/om400178n","","","0.71073","MoKα","","0.0604","0.0367","","","0.0855","0.0961","","","","","","0.997","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080776","10.118","0.005","14.491","0.007","14.639","0.006","83.576","0.007","82.452","0.005","82.94","0.007","2101.6","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H25 B2 Co F6 Ir P -","- C18 H25 B2 Co F6 Ir P -","- C72 H100 B8 Co4 F24 Ir4 P4 -","4","2","","Muratov, Dmitry V.; Romanov, Alexander S.; Timofeeva, Tatiana V.; Siebert, Walter; Corsini, Maddalena; Fedi, Serena; Zanello, Piero; Kudinov, Alexander R.","Monocationic μ-Diborolyl Triple-Decker Complexes [CpCo(μ-1,3-C3B2Me5)M(ring)]+: Synthesis, Structures, and Electrochemistry","Organometallics","2013","32","9","2713","","10.1021/om400178n","","","0.71073","MoKα","","0.1197","0.0576","","","0.099","0.1128","","","","","","0.898","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080777","8.747","0.0009","9.4004","0.001","15.1277","0.0016","73.368","0.002","74.926","0.002","89.972","0.003","1147.1","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H26 B2 Co F3 O3 Ru S -","- C20 H26 B2 Co F3 O3 Ru S -","- C40 H52 B4 Co2 F6 O6 Ru2 S2 -","2","1","","Muratov, Dmitry V.; Romanov, Alexander S.; Timofeeva, Tatiana V.; Siebert, Walter; Corsini, Maddalena; Fedi, Serena; Zanello, Piero; Kudinov, Alexander R.","Monocationic μ-Diborolyl Triple-Decker Complexes [CpCo(μ-1,3-C3B2Me5)M(ring)]+: Synthesis, Structures, and Electrochemistry","Organometallics","2013","32","9","2713","","10.1021/om400178n","","","0.71073","MoKα","","0.0656","0.0546","","","0.1389","0.1518","","","","","","1.033","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080778","11.6418","0.0013","8.8538","0.0011","26.659","0.003","90","","101.774","0.003","90","","2690","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 B2 Co F6 P Ru -","- C25 H38 B2 Co F6 P Ru -","- C100 H152 B8 Co4 F24 P4 Ru4 -","4","1","","Muratov, Dmitry V.; Romanov, Alexander S.; Timofeeva, Tatiana V.; Siebert, Walter; Corsini, Maddalena; Fedi, Serena; Zanello, Piero; Kudinov, Alexander R.","Monocationic μ-Diborolyl Triple-Decker Complexes [CpCo(μ-1,3-C3B2Me5)M(ring)]+: Synthesis, Structures, and Electrochemistry","Organometallics","2013","32","9","2713","","10.1021/om400178n","","","0.71073","MoKα","","0.0302","0.026","","","0.0645","0.0671","","","","","","1.02","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080779","17.0049","0.0007","14.433","0.0006","17.7271","0.0007","90","","113.196","0.001","90","","3999.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H52 Cl2 Hf N2 O3 -","- C35 H52 Cl2 Hf N2 O3 -","- C140 H208 Cl8 Hf4 N8 O12 -","4","1","","Dagorne, Samuel; Bellemin-Laponnaz, Stéphane; Romain, Charles","Neutral and Cationic N-Heterocyclic Carbene Zirconium and Hafnium Benzyl Complexes: Highly Regioselective Oligomerization of 1-Hexene with a Preference for Trimer Formation","Organometallics","2013","32","9","2736","","10.1021/om400182d","","","0.71073","MoKα","","0.0809","0.0586","","","0.1635","0.1859","","","","","","1.174","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080780","9.8633","0.0002","13.92","0.0002","30.643","0.0005","90","","102.249","0.001","90","","4111.42","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 N2 O2 Zr -","- C45 H58 N2 O2 Zr -","- C180 H232 N8 O8 Zr4 -","4","1","","Dagorne, Samuel; Bellemin-Laponnaz, Stéphane; Romain, Charles","Neutral and Cationic N-Heterocyclic Carbene Zirconium and Hafnium Benzyl Complexes: Highly Regioselective Oligomerization of 1-Hexene with a Preference for Trimer Formation","Organometallics","2013","32","9","2736","","10.1021/om400182d","","","0.71073","MoKα","","0.0392","0.0332","","","0.0921","0.0995","","","","","","1.149","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080781","9.851","0.0004","13.9634","0.0005","30.5804","0.0011","90","","102.042","0.001","90","","4113.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H58 Hf N2 O2 -","- C45 H58 Hf N2 O2 -","- C180 H232 Hf4 N8 O8 -","4","1","","Dagorne, Samuel; Bellemin-Laponnaz, Stéphane; Romain, Charles","Neutral and Cationic N-Heterocyclic Carbene Zirconium and Hafnium Benzyl Complexes: Highly Regioselective Oligomerization of 1-Hexene with a Preference for Trimer Formation","Organometallics","2013","32","9","2736","","10.1021/om400182d","","","0.71073","MoKα","","0.0428","0.0346","","","0.0709","0.0735","","","","","","1.398","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080782","11.4977","0.0005","19.2962","0.0008","9.6181","0.0004","90","","90","","90","","2133.89","0.16","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C50 H56 Fe N4 P2 -","- C50 H56 Fe N4 P2 -","- C100 H112 Fe2 N8 P4 -","2","0.5","","Arribas, Inmaculada; Álvarez, Eleuterio; Pizzano, Antonio","Novel Bis(1,3,2-diazaphospholidine) Ligands for Asymmetric Catalysis","Organometallics","2013","32","9","2497","","10.1021/om400185q","","","0.71073","MoKα","","0.0326","0.0287","","","0.0739","0.0751","","","","","","1.039","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080783","6.5272","0.0011","7.36","0.0008","9.8971","0.0011","75.784","0.007","77.753","0.006","73.444","0.007","436.59","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H11 N2 -","- C11 H11 N2 -","- C22 H22 N4 -","2","1","","Bheemaraju, Amarnath; Beattie, Jeffrey W.; Tabasan, Erwyn G.; Martin, Philip D.; Lord, Richard L.; Groysman, Stanislav","Steric and Electronic Effects in the Formation and Carbon Disulfide Reactivity of Dinuclear Nickel Complexes Supported by Bis(iminopyridine) Ligands","Organometallics","2013","32","10","2952","","10.1021/om400187v","","","0.71073","MoKα","","0.0681","0.06","","","0.1866","0.1905","","","","","","1.347","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080784","20.717","0.002","13.0872","0.0014","22.238","0.002","90","","91.097","0.004","90","","6028.2","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H74 N8 Ni2 O4 -","- C73.5 H57 N8 Ni2 O4 -","- C294 H228 N32 Ni8 O16 -","4","1","","Bheemaraju, Amarnath; Beattie, Jeffrey W.; Tabasan, Erwyn G.; Martin, Philip D.; Lord, Richard L.; Groysman, Stanislav","Steric and Electronic Effects in the Formation and Carbon Disulfide Reactivity of Dinuclear Nickel Complexes Supported by Bis(iminopyridine) Ligands","Organometallics","2013","32","10","2952","","10.1021/om400187v","","","0.71073","MoKα","","0.2039","0.0982","","","0.1988","0.2646","","","","","","1.052","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080785","23.353","0.003","14.3771","0.0015","10.0362","0.0011","90","","95.632","0.004","90","","3353.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H53 N2 Ni O -","- C37 H53 N2 Ni O -","- C148 H212 N8 Ni4 O4 -","4","1","","Bheemaraju, Amarnath; Beattie, Jeffrey W.; Tabasan, Erwyn G.; Martin, Philip D.; Lord, Richard L.; Groysman, Stanislav","Steric and Electronic Effects in the Formation and Carbon Disulfide Reactivity of Dinuclear Nickel Complexes Supported by Bis(iminopyridine) Ligands","Organometallics","2013","32","10","2952","","10.1021/om400187v","","","0.71073","MoKα","","0.083","0.0448","","","0.1018","0.1198","","","","","","1.052","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080786","17.8048","0.0013","17.958","0.0014","18.3954","0.0014","77.063","0.003","80.344","0.003","73.745","0.002","5468.5","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C115 H152 N8 Ni2 -","- C115.5 H124 N8 Ni2 -","- C231 H248 N16 Ni4 -","2","1","","Bheemaraju, Amarnath; Beattie, Jeffrey W.; Tabasan, Erwyn G.; Martin, Philip D.; Lord, Richard L.; Groysman, Stanislav","Steric and Electronic Effects in the Formation and Carbon Disulfide Reactivity of Dinuclear Nickel Complexes Supported by Bis(iminopyridine) Ligands","Organometallics","2013","32","10","2952","","10.1021/om400187v","","","0.71073","MoKα","","0.0888","0.0584","","","0.1659","0.1895","","","","","","1.044","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080787","9.2043","0.0014","17.587","0.003","15.385","0.002","90","","93.694","0.007","90","","2485.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N4 Ni2 S4 -","- C24 H22 N4 Ni2 S4 -","- C96 H88 N16 Ni8 S16 -","4","1","","Bheemaraju, Amarnath; Beattie, Jeffrey W.; Tabasan, Erwyn G.; Martin, Philip D.; Lord, Richard L.; Groysman, Stanislav","Steric and Electronic Effects in the Formation and Carbon Disulfide Reactivity of Dinuclear Nickel Complexes Supported by Bis(iminopyridine) Ligands","Organometallics","2013","32","10","2952","","10.1021/om400187v","","","0.71073","MoKα","","0.1727","0.1366","","","0.3172","0.3279","","","","","","1.092","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080788","8.8718","0.0006","19.4107","0.0013","10.8456","0.0007","90","","100.377","0.003","90","","1837.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N2 Ni O S2 -","- C16 H28 N2 Ni O S2 -","- C64 H112 N8 Ni4 O4 S8 -","4","1","","Bheemaraju, Amarnath; Beattie, Jeffrey W.; Tabasan, Erwyn G.; Martin, Philip D.; Lord, Richard L.; Groysman, Stanislav","Steric and Electronic Effects in the Formation and Carbon Disulfide Reactivity of Dinuclear Nickel Complexes Supported by Bis(iminopyridine) Ligands","Organometallics","2013","32","10","2952","","10.1021/om400187v","","","0.71073","MoKα","","0.0512","0.0331","","","0.0662","0.0723","","","","","","1.019","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080789","24.428","0.006","10.52","0.002","19.509","0.004","90","","114.327","0.003","90","","4568.3","1.7","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C44 H64 B F3 N2 O5 Os S -","- C44 H64 B F3 N2 O5 Os S -","- C176 H256 B4 F12 N8 O20 Os4 S4 -","4","1","","Buil, Mar\?ía L.; Esteruelas, Miguel A.; Fernández, Israel; Izquierdo, Susana; Oñate, Enrique","Cationic Dihydride Boryl and Dihydride Silyl Osmium(IV) NHC Complexes: A Marked Diagonal Relationship","Organometallics","2013","32","9","2744","","10.1021/om400188z","","","0.71073","MoKα","","0.0565","0.0445","","","0.0982","0.104","","","","","","1.028","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080790","22.892","0.006","12.206","0.003","20.32","0.005","90","","111.161","0.004","90","","5295","2","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C56 H67 F3 N2 O3 Os S Si -","- C56 H67 F3 N2 O3 Os S Si -","- C224 H268 F12 N8 O12 Os4 S4 Si4 -","4","1","","Buil, Mar\?ía L.; Esteruelas, Miguel A.; Fernández, Israel; Izquierdo, Susana; Oñate, Enrique","Cationic Dihydride Boryl and Dihydride Silyl Osmium(IV) NHC Complexes: A Marked Diagonal Relationship","Organometallics","2013","32","9","2744","","10.1021/om400188z","","","0.71073","MoKα","","0.0692","0.0673","","","0.1676","0.1687","","","","","","1.249","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080791","14.862","0.0004","16.5798","0.0005","21.861","0.0006","90","","90","","90","","5386.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H33 Hf I3 N2 -","- C22 H33 Hf I3 N2 -","- C176 H264 Hf8 I24 N16 -","8","1","","Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek; Klosin, Jerzy","Synthesis and Scale-up of Imino‒Enamido Hafnium and Zirconium Olefin Polymerization Catalysts","Organometallics","2013","32","10","2963","","10.1021/om400189w","","","0.71073","MoKα","","0.0202","0.0163","","","0.0326","0.0336","","","","","","1.039","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080792","10.8416","0.0002","17.4171","0.0003","13.5117","0.0003","90","","94.255","0.001","90","","2544.37","0.09","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Hf N2 -","- C25 H42 Hf N2 -","- C100 H168 Hf4 N8 -","4","1","","Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek; Klosin, Jerzy","Synthesis and Scale-up of Imino‒Enamido Hafnium and Zirconium Olefin Polymerization Catalysts","Organometallics","2013","32","10","2963","","10.1021/om400189w","","","0.71073","MoKα","","0.0183","0.0155","","","0.0381","0.0399","","","","","","1.035","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080793","10.8529","0.0004","17.0807","0.0007","13.7356","0.0005","90","","95.355","0.002","90","","2535.13","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 N2 Zr -","- C25 H42 N2 Zr -","- C100 H168 N8 Zr4 -","4","1","","Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek; Klosin, Jerzy","Synthesis and Scale-up of Imino‒Enamido Hafnium and Zirconium Olefin Polymerization Catalysts","Organometallics","2013","32","10","2963","","10.1021/om400189w","","","0.71073","MoKα","","0.0288","0.0259","","","0.0712","0.0746","","","","","","1.054","","","","has coordinates,has disorder","178696","2020-10-21","18:00:00",""
"4080794","13.5113","0.0004","10.169","0.0003","19.3016","0.0006","90","","110.252","0.001","90","","2488.02","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Hf N2 -","- C25 H42 Hf N2 -","- C100 H168 Hf4 N8 -","4","1","","Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek; Klosin, Jerzy","Synthesis and Scale-up of Imino‒Enamido Hafnium and Zirconium Olefin Polymerization Catalysts","Organometallics","2013","32","10","2963","","10.1021/om400189w","","","0.71073","MoKα","","0.0144","0.0133","","","0.0309","0.0312","","","","","","1.167","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080795","13.5205","0.0006","10.1652","0.0005","19.3393","0.0011","90","","110.388","0.002","90","","2491.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 N2 Zr -","- C25 H42 N2 Zr -","- C100 H168 N8 Zr4 -","4","1","","Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek; Klosin, Jerzy","Synthesis and Scale-up of Imino‒Enamido Hafnium and Zirconium Olefin Polymerization Catalysts","Organometallics","2013","32","10","2963","","10.1021/om400189w","","","0.71073","MoKα","","0.0234","0.0219","","","0.0598","0.0612","","","","","","1.087","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080796","8.783","0.0001","16.624","0.0002","15.979","0.0002","90","","97.54","0.0006","90","","2312.9","0.05","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 Cl N2 O P Ru -","- C23 H34 Cl N2 O P Ru -","- C92 H136 Cl4 N8 O4 P4 Ru4 -","4","1","","Barrios-Francisco, Rigoberto; Balaraman, Ekambaram; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","PNN Ruthenium Pincer Complexes Based on Phosphinated 2,2′-Dipyridinemethane and 2,2′-Oxobispyridine. Metal‒Ligand Cooperation in Cyclometalation and Catalysis","Organometallics","2013","32","10","2973","","10.1021/om400194w","","","0.71073","MoKα","","0.0314","0.0261","","","0.0609","0.0637","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080797","11.6739","0.0005","12.5406","0.0006","18.8822","0.001","90","","99.703","0.003","90","","2724.8","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H39 Cl N2 O P Ru -","- C28 H39 Cl N2 O P Ru -","- C112 H156 Cl4 N8 O4 P4 Ru4 -","4","1","","Barrios-Francisco, Rigoberto; Balaraman, Ekambaram; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","PNN Ruthenium Pincer Complexes Based on Phosphinated 2,2′-Dipyridinemethane and 2,2′-Oxobispyridine. Metal‒Ligand Cooperation in Cyclometalation and Catalysis","Organometallics","2013","32","10","2973","","10.1021/om400194w","","","0.71073","MoKα","","0.0684","0.039","","","0.0809","0.0916","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080798","8.5498","0.0001","16.4923","0.0003","15.8575","0.0003","90","","101.561","0.001","90","","2190.64","0.06","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H33 N2 O P Ru -","- C23 H33 N2 O P Ru -","- C92 H132 N8 O4 P4 Ru4 -","4","1","","Barrios-Francisco, Rigoberto; Balaraman, Ekambaram; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","PNN Ruthenium Pincer Complexes Based on Phosphinated 2,2′-Dipyridinemethane and 2,2′-Oxobispyridine. Metal‒Ligand Cooperation in Cyclometalation and Catalysis","Organometallics","2013","32","10","2973","","10.1021/om400194w","","","0.71073","MoKα","","0.0381","0.0264","","","0.0579","0.0621","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080799","10.8579","0.0003","19.3948","0.0006","20.9791","0.0006","84.03","0.001","84.873","0.001","89.758","0.001","4376.3","0.2","173","2","173","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C45 H45 Cl2 N2 O P3 Ru Si -","- C45 H45 Cl2 N2 O P3 Ru Si -","- C180 H180 Cl8 N8 O4 P12 Ru4 Si4 -","4","2","","Trathen, Nicola; Greenacre, Victoria K.; Crossley, Ian R.; Roe, S. Mark","Ambiphilic Reactivity of a Ruthenaphosphaalkenyl: Synthesis ofP-Pyrazolylphosphaalkene Complexes of Ruthenium(0)","Organometallics","2013","32","9","2501","","10.1021/om4001988","","x-ray","0.71073","MoKα","","0.0844","0.0682","","","0.1538","0.1603","","","","","","1.14","","","","has coordinates","178696","2020-10-21","18:00:00",""
"4080800","21.3342","0.0002","11.9218","0.0001","43.0554","0.0005","90","","104.358","0.0004","90","","10608.8","0.18","173","2","173","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C57.5 H57 Cl2 Hg O P3 Ru Si -","- C57.5 H57 Cl2 Hg O P3 Ru Si -","- C460 H456 Cl16 Hg8 O8 P24 Ru8 Si8 -","8","1","","Trathen, Nicola; Greenacre, Victoria K.; Crossley, Ian R.; Roe, S. Mark","Ambiphilic Reactivity of a Ruthenaphosphaalkenyl: Synthesis ofP-Pyrazolylphosphaalkene Complexes of Ruthenium(0)","Organometallics","2013","32","9","2501","","10.1021/om4001988","","x-ray","0.71073","MoKα","","0.0729","0.0456","","","0.1009","0.1101","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080801","11.6122","0.0015","12.2993","0.0016","22.146","0.003","91.318","0.002","105.053","0.002","101.085","0.002","2988.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H34 F25 Mo N O6 -","- C67 H34 F25 Mo N O6 -","- C134 H68 F50 Mo2 N2 O12 -","2","1","","Yuan, Jian; Schrock, Richard R.; Gerber, Laura C. H.; Müller, Peter; Smith, Stacey","Synthesis and ROMP Chemistry of Decafluoroterphenoxide Molybdenum Imido Alkylidene and Ethylene Complexes","Organometallics","2013","32","10","2983","","10.1021/om400199u","","","0.71073","MoKα","","0.0277","0.0247","","","0.0646","0.0668","","","","","","1.053","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080802","11.931","0.0011","43.92","0.004","7.9516","0.0007","90","","105.667","0.002","90","","4011.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H10 F25 Mo N O2 -","- C44 H10 F25 Mo N O2 -","- C176 H40 F100 Mo4 N4 O8 -","4","1","","Yuan, Jian; Schrock, Richard R.; Gerber, Laura C. H.; Müller, Peter; Smith, Stacey","Synthesis and ROMP Chemistry of Decafluoroterphenoxide Molybdenum Imido Alkylidene and Ethylene Complexes","Organometallics","2013","32","10","2983","","10.1021/om400199u","","","0.71073","MoKα","","0.0671","0.0538","","","0.0975","0.1014","","","","","","1.18","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080803","11.9807","0.0008","16.7624","0.0011","22.1895","0.0015","96.267","0.001","105.508","0.001","100.952","0.001","4155.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H31 F15 Mo N3 O1.5 -","- C44 H31 F15 Mo N3 O1.5 -","- C176 H124 F60 Mo4 N12 O6 -","4","2","","Yuan, Jian; Schrock, Richard R.; Gerber, Laura C. H.; Müller, Peter; Smith, Stacey","Synthesis and ROMP Chemistry of Decafluoroterphenoxide Molybdenum Imido Alkylidene and Ethylene Complexes","Organometallics","2013","32","10","2983","","10.1021/om400199u","","","0.71073","MoKα","","0.0332","0.027","","","0.0657","0.0693","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080804","7.5138","0.0006","16.1833","0.0017","19.668","0.0019","90","","90","","90","","2391.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Fe2 P S -","- C30 H25 Fe2 P S -","- C120 H100 Fe8 P4 S4 -","4","1","","Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Low, Paul J.; Lang, Heinrich","Synthesis and (Spectro)electrochemical Behavior of 2,5-Diferrocenyl-1-phenyl-1H-phosphole","Organometallics","2013","32","10","2993","","10.1021/om400201b","","","1.54184","CuKα","","0.0953","0.0871","","","0.2106","0.2236","","","","","","0.998","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080805","7.525","0.0003","16.0764","0.0013","19.8209","0.0011","90","","90","","90","","2397.8","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H25 Fe2 P Se -","- C30 H25 Fe2 P Se -","- C120 H100 Fe8 P4 Se4 -","4","1","","Miesel, Dominique; Hildebrandt, Alexander; Korb, Marcus; Low, Paul J.; Lang, Heinrich","Synthesis and (Spectro)electrochemical Behavior of 2,5-Diferrocenyl-1-phenyl-1H-phosphole","Organometallics","2013","32","10","2993","","10.1021/om400201b","","","0.71073","MoKα","","0.0965","0.0578","","","0.0839","0.0949","","","","","","0.95","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080806","9.4416","0.0002","10.347","0.0002","12.6884","0.0002","79.784","0.001","70.925","0.001","73.731","0.001","1119.54","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 B Mo N9 O4 -","- C18 H24 B Mo N9 O4 -","- C36 H48 B2 Mo2 N18 O8 -","2","1","","Carden, Robert G.; Ohane, James J.; Pike, Robert D.; Graham, Peter M.","Synthesis of Tungsten and Molybdenum Carbon Dioxide Complexes","Organometallics","2013","32","9","2505","","10.1021/om4002022","","","1.54178","CuKα","","0.0251","0.0248","","","0.0633","0.0636","","","","","","1.051","","","","has coordinates,has disorder","288540","2023-12-24","01:16:02",""
"4080807","10.3695","0.0003","12.4462","0.0003","14.5269","0.0004","90","","104.09","0.001","90","","1818.45","0.09","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 B N7 O3 P W -","- C13.055 H19 B N6.947 O3.057 P W -","- C52.22 H76 B4 N27.788 O12.228 P4 W4 -","4","1","","Carden, Robert G.; Ohane, James J.; Pike, Robert D.; Graham, Peter M.","Synthesis of Tungsten and Molybdenum Carbon Dioxide Complexes","Organometallics","2013","32","9","2505","","10.1021/om4002022","","","1.54178","CuKα","","0.0341","0.0324","","","0.097","0.0979","","","","","","1.606","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080808","16.636","0.008","12.192","0.006","18.546","0.009","90","","104.656","0.008","90","","3639","3","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","di(mu~2~-bromo)bis(N,N,N-tris[2-(dimethylstibanyl)benzyl]azane)- tricopper(I) tetrafluoroborate dichloromethane solvate","","- C55.5 H75 B Br2 Cl3 Cu3 F4 N2 Sb6 -","- C55.5 H75 B Br2 Cl3 Cu3 F4 N2 Sb6 -","- C111 H150 B2 Br4 Cl6 Cu6 F8 N4 Sb12 -","2","0.5","","Benjamin, Sophie L.; Levason, William; Reid, Gillian","Synthesis and Reactions of a Hybrid Tristibine Ligand","Organometallics","2013","32","9","2760","","10.1021/om400205d","","","0.71073","MoKα","","0.0834","0.0648","","","0.1637","0.1784","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080809","17.908","0.006","14.592","0.004","26.275","0.009","90","","109.25","0.008","90","","6482","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","tetra(mu~2~-bromo)bis(N,N,N-tris[2-(dimethylstibanyl)benzyl]azane)- tetracopper(I)","","- C54 H72 Br4 Cu4 N2 Sb6 -","- C54 H72 Br4 Cu4 N2 Sb6 -","- C216 H288 Br16 Cu16 N8 Sb24 -","4","0.5","","Benjamin, Sophie L.; Levason, William; Reid, Gillian","Synthesis and Reactions of a Hybrid Tristibine Ligand","Organometallics","2013","32","9","2760","","10.1021/om400205d","","","0.71073","MoKα","","0.0398","0.0311","","","0.065","0.0683","","","","","","1.066","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080810","16.758","0.004","14.392","0.003","19.233","0.007","90","","93.825","0.007","90","","4628","2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","tricarbonyl-N,N,N-tris[2-(dimethylstibanyl)benzyl]azane-manganese(I) trifluoromethanesulfonate chloroform solvate toluene solvate","","- C39 H45 Cl3 F3 Mn N O6 S Sb3 -","- C39 H45 Cl3 F3 Mn N O6 S Sb3 -","- C156 H180 Cl12 F12 Mn4 N4 O24 S4 Sb12 -","4","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian","Synthesis and Reactions of a Hybrid Tristibine Ligand","Organometallics","2013","32","9","2760","","10.1021/om400205d","","","0.71073","MoKα","","0.1118","0.0688","","","0.1436","0.1614","","","","","","1.037","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080811","9.644","0.002","22.7495","0.0012","19.7761","0.0014","90","","102.835","0.011","90","","4230.4","1","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","dicarbonyl-acetonitrile-N,N,N-tris[2-(dimethylstibanyl)benzyl]azane- manganese(I) trifluoromethanesulfonate diethyl ether solvate","","- C36 H49 F3 Mn N2 O6 S Sb3 -","- C36 H49 F3 Mn N2 O6 S Sb3 -","- C144 H196 F12 Mn4 N8 O24 S4 Sb12 -","4","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian","Synthesis and Reactions of a Hybrid Tristibine Ligand","Organometallics","2013","32","9","2760","","10.1021/om400205d","","","0.71073","MoKα","","0.0816","0.052","","","0.1022","0.1153","","","","","","1.032","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080812","11.755","0.003","12.875","0.004","13.094","0.005","100.987","0.007","93.589","0.007","101.211","0.007","1898","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","tetra(mu~2~-bromo)bis(N,N,N-tris[2-(dimethylstibanyl)benzyl]azane)- tetracopper(I) dichloromethane solvate","","- C58 H80 Br4 Cl8 Cu4 N2 Sb6 -","- C58 H80 Br4 Cl8 Cu4 N2 Sb6 -","- C58 H80 Br4 Cl8 Cu4 N2 Sb6 -","1","0.5","","Benjamin, Sophie L.; Levason, William; Reid, Gillian","Synthesis and Reactions of a Hybrid Tristibine Ligand","Organometallics","2013","32","9","2760","","10.1021/om400205d","","","0.71073","MoKα","","0.0634","0.0401","","","0.0688","0.0751","","","","","","1.041","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080813","9.6461","0.0013","11.2438","0.0016","13.686","0.002","102.791","0.007","93.471","0.007","102.749","0.007","1402.5","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","6-[2-(dimethylstibanyl)benzyl]-12,12-dimethyl-5,6,7,12- tetrahydrodibenzo[c,f][1,5]azastibocin-12-ium iodide dichloromethane solvate","","- C26 H32 Cl2 I N Sb2 -","- C26 H32 Cl2 I N Sb2 -","- C52 H64 Cl4 I2 N2 Sb4 -","2","1","","Benjamin, Sophie L.; Levason, William; Reid, Gillian","Synthesis and Reactions of a Hybrid Tristibine Ligand","Organometallics","2013","32","9","2760","","10.1021/om400205d","","","0.71073","MoKα","K-L~2,3~","0.0425","0.0383","","","0.1024","0.1063","","","","","","1.056","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080814","10.693","0.0008","13.4285","0.001","17.2274","0.0013","68.936","0.001","81.951","0.001","67.892","0.001","2138.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C40.5 H57 Cl F3 N4 O3 Rh S -","- C40 H56 F3 N4 O3 Rh S -","- C80 H112 F6 N8 O6 Rh2 S2 -","2","1","","Palacios, Laura; Di Giuseppe, Andrea; Opalinska, Anna; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Lahoz, Fernando J.; Oro, Luis A.","Labile Rhodium(I)‒N-Heterocyclic Carbene Complexes","Organometallics","2013","32","9","2768","","10.1021/om400209m","","","0.71073","MoKα","","0.0404","0.0346","","","0.089","0.0915","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080815","16.1335","0.0019","11.5894","0.0007","16.415","0.003","90","","100.304","0.018","90","","3019.7","0.7","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","dibromido-bis(1,4,7,10,13-pentaoxacyclohexadec-15-ylmethyl)-stannane","","- C24 H46 Br2 O10 Sn -","- C24 H46 Br2 O10 Sn -","- C96 H184 Br8 O40 Sn4 -","4","0.5","","Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors","Organometallics","2013","32","9","2775","","10.1021/om400216z","","","0.71073","MoKα","","0.0368","0.0239","","","0.0495","0.0505","","","","","","0.922","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080816","15.948","0.004","11.4212","0.0006","16.389","0.002","90","","100.19","0.02","90","","2938.1","0.9","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","dichlorido-bis(1,4,7,10,13-pentaoxacyclohexadec-15-ylmethyl)-stannane","","- C24 H46 Cl2 O10 Sn -","- C24 H46 Cl2 O10 Sn -","- C96 H184 Cl8 O40 Sn4 -","4","0.5","","Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors","Organometallics","2013","32","9","2775","","10.1021/om400216z","","","0.71073","MoKα","","0.0376","0.0238","","","0.0352","0.036","","","","","","0.81","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080817","14.586","0.006","12.2579","0.0013","16.169","0.004","90","","102.09","0.04","90","","2826.8","1.5","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","difluorido-bis(1,4,7,10,13-pentaoxacyclohexadec-15-ylmethyl)-stannane","","- C24 H46 F2 O10 Sn -","- C24 H46 F2 O10 Sn -","- C96 H184 F8 O40 Sn4 -","4","0.5","","Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors","Organometallics","2013","32","9","2775","","10.1021/om400216z","","","0.71073","MoKα","","0.0546","0.0329","","","0.0297","0.0305","","","","","","0.807","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080818","14.02","0.005","11.6934","0.0007","17.38","0.003","90","","101.2","0.04","90","","2795","1.2","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","diiodido-bis(1,4,7,10-tetraoxacylcotridec-12-ylmethyl)stannane","","- C20 H38 I2 O8 Sn -","- C20 H38 I2 O8 Sn -","- C80 H152 I8 O32 Sn4 -","4","0.5","","Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors","Organometallics","2013","32","9","2775","","10.1021/om400216z","","","0.71073","MoKα","","0.0377","0.0258","","","0.0535","0.0551","","","","","","0.913","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080819","13.743","0.003","11.334","0.002","17.683","0.004","90","","97.82","0.03","90","","2728.7","1","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","dibromido-bis(1,4,7,10-tetraoxacylcotridec-12-ylmethyl)stannane","","- C20 H20 Br2 O8 Sn -","- C20 H38 Br1.87 O8 Sn1.115 -","- C80 H152 Br7.48 O32 Sn4.46 -","4","0.5","","Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors","Organometallics","2013","32","9","2775","","10.1021/om400216z","","","0.71073","MoKα","","0.0492","0.042","","","0.143","0.1482","","","","","","1.122","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080820","16.6098","0.0007","14.2088","0.0007","19.5728","0.001","90","","90","","90","","4619.3","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","difluorido-bis(1,4,7,10-tetraoxacylcotridec-12-ylmethyl)stannane","","- C20 H38 F2 O8 Sn -","- C20 H38 F2 O8 Sn -","- C160 H304 F16 O64 Sn8 -","8","1","","Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus","Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors","Organometallics","2013","32","9","2775","","10.1021/om400216z","","","0.71073","MoKα","","0.0611","0.0292","","","0.0499","0.0521","","","","","","0.856","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080821","12.193","0.017","12.193","0.017","12.193","0.017","90","","90","","90","","1813","4","223","","223","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C12 H30 Br2 Mg N4 -","- C12 H30 Br2 Mg N4 -","- C48 H120 Br8 Mg4 N16 -","4","0.333333","","Guard, Louise M.; Hazari, Nilay","Synthesis and Reactivity of Magnesium Complexes Supported by Tris(2-dimethylaminoethyl)amine (Me6tren)","Organometallics","2013","32","9","2787","","10.1021/om4002186","","","0.71073","MoKα","","0.0407","0.0366","","","0.1054","0.1091","","","","","","0.876","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080822","15.1927","0.0003","19.9755","0.0004","15.9698","0.0011","90","","113.437","0.008","90","","4446.7","0.4","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H128 Br12 Mg6 N16 -","- C55 H128 Br12 Mg6 N16 -","- C110 H256 Br24 Mg12 N32 -","2","0.5","","Guard, Louise M.; Hazari, Nilay","Synthesis and Reactivity of Magnesium Complexes Supported by Tris(2-dimethylaminoethyl)amine (Me6tren)","Organometallics","2013","32","9","2787","","10.1021/om4002186","","","1.54178","CuKα","","0.029","0.028","","","0.0699","0.0705","","","","","","1.085","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080823","8.3141","0.0003","11.5776","0.0005","19.5193","0.0014","90","","99.555","0.007","90","","1852.81","0.17","223","","223","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H36 Mg N4 -","- C14 H36 Mg N4 -","- C56 H144 Mg4 N16 -","4","1","","Guard, Louise M.; Hazari, Nilay","Synthesis and Reactivity of Magnesium Complexes Supported by Tris(2-dimethylaminoethyl)amine (Me6tren)","Organometallics","2013","32","9","2787","","10.1021/om4002186","","x-ray","0.71073","MoKα","K-L~3~","0.0622","0.0458","","","0.1004","0.1081","","","","","","1.059","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080824","7.945","0.007","9.961","0.008","14.237","0.012","104.59","0.014","95.656","0.016","92.374","0.017","1082.5","1.6","223","","223","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H30 Br3 Cl Mg2 N4 -","- C12 H30 Br3 Cl Mg2 N4 -","- C24 H60 Br6 Cl2 Mg4 N8 -","2","1","","Guard, Louise M.; Hazari, Nilay","Synthesis and Reactivity of Magnesium Complexes Supported by Tris(2-dimethylaminoethyl)amine (Me6tren)","Organometallics","2013","32","9","2787","","10.1021/om4002186","","","0.71073","MoKα","","0.0651","0.0408","","","0.0952","0.1271","","","","","","1.109","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080825","8.4574","0.0002","32.8279","0.0007","10.3808","0.0003","90","","92.5371","0.0011","90","","2879.29","0.12","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Mo O2 Si -","- C33 H36 Mo O2 Si -","- C132 H144 Mo4 O8 Si4 -","4","1","","Komuro, Takashi; Kanno, Yuto; Tobita, Hiromi","Synthesis, Structure, and Reactions of a (η3-α-silabenzyl)molybdenum Complex: A Synthetic Equivalent of a Coordinatively Unsaturated Silyl Complex","Organometallics","2013","32","9","2795","","10.1021/om400225j","","","0.71069","MoKα","","0.0508","0.0429","","","0.0988","0.1073","","","","","","1.295","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080826","20.6607","0.001","20.3913","0.0007","20.767","0.0009","90","","101.645","0.0015","90","","8569","0.6","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H58 Mo N2 O3.5 Si -","- C46 H46 Mo N2 O3.5 Si -","- C368 H368 Mo8 N16 O28 Si8 -","8","1","","Komuro, Takashi; Kanno, Yuto; Tobita, Hiromi","Synthesis, Structure, and Reactions of a (η3-α-silabenzyl)molybdenum Complex: A Synthetic Equivalent of a Coordinatively Unsaturated Silyl Complex","Organometallics","2013","32","9","2795","","10.1021/om400225j","","","0.71069","MoKα","","0.0751","0.0556","","","0.1556","0.1724","","","","","","1.167","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080827","21.754","0.0006","8.6383","0.0003","20.4816","0.0005","90","","113.453","0.001","90","","3530.88","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Mo N O2 Si -","- C38 H46 Mo N O2 Si -","- C152 H184 Mo4 N4 O8 Si4 -","4","1","","Komuro, Takashi; Kanno, Yuto; Tobita, Hiromi","Synthesis, Structure, and Reactions of a (η3-α-silabenzyl)molybdenum Complex: A Synthetic Equivalent of a Coordinatively Unsaturated Silyl Complex","Organometallics","2013","32","9","2795","","10.1021/om400225j","","","0.71069","MoKα","","0.03","0.0257","","","0.0791","0.091","","","","","","1.266","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080828","11.081","0.0011","17.746","0.002","19.476","0.0012","83.536","0.005","73.59","0.007","72.324","0.01","3498.9","0.6","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","Na[Ag(NHC)2].6MeOH","","","- C60 H92 Ag N4 Na3 O18 S4 -","- C60 H92 Ag N4 Na3 O18 S4 -","- C120 H184 Ag2 N8 Na6 O36 S8 -","2","1","","Baquero, Edwin A.; Silbestri, Gustavo F.; Gómez-Sal, Pilar; Flores, Juan C.; de Jesús, Ernesto","Sulfonated Water-Soluble N-Heterocyclic Carbene Silver(I) Complexes: Behavior in Aqueous Medium and as NHC-Transfer Agents to Platinum(II)","Organometallics","2013","32","9","2814","","10.1021/om400228s","","x-ray","0.71073","MoKα","","0.1425","0.074","","","0.1858","0.208","","","","","","1.043","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080829","11.119","0.002","17.365","0.004","18.3179","0.0019","90","","81.104","0.014","90","","3494.3","1.1","200","2","200","2","","","","","","","synthesis as described","7","P 1 2/c 1","-P 2yc","13","Ag[Ag(NHC)2].2H2O","","","- C54 H68 Ag2 N4 Na2 O15 S4 -","- C54 H68 Ag2 N4 Na2 O15 S4 -","- C108 H136 Ag4 N8 Na4 O30 S8 -","2","0.5","","Baquero, Edwin A.; Silbestri, Gustavo F.; Gómez-Sal, Pilar; Flores, Juan C.; de Jesús, Ernesto","Sulfonated Water-Soluble N-Heterocyclic Carbene Silver(I) Complexes: Behavior in Aqueous Medium and as NHC-Transfer Agents to Platinum(II)","Organometallics","2013","32","9","2814","","10.1021/om400228s","","x-ray","0.71073","MoKα","","0.1421","0.11","","","0.2993","0.3227","","","","","","1.137","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080830","21.864","0.002","14.9797","0.0019","24.108","0.002","90","","93.662","0.004","90","","7879.6","1.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","Na[Ag(NHC)2].5dmso.2H2O","","","- C64 H98 Ag N4 Na3 O17.5 S9 -","- C64 H98 Ag N4 Na3 O17.5 S9 -","- C256 H392 Ag4 N16 Na12 O70 S36 -","4","1","","Baquero, Edwin A.; Silbestri, Gustavo F.; Gómez-Sal, Pilar; Flores, Juan C.; de Jesús, Ernesto","Sulfonated Water-Soluble N-Heterocyclic Carbene Silver(I) Complexes: Behavior in Aqueous Medium and as NHC-Transfer Agents to Platinum(II)","Organometallics","2013","32","9","2814","","10.1021/om400228s","","","0.71073","","","0.1164","0.0868","","","0.254","0.3027","","","","","","1.103","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080831","10.2882","0.0003","14.4724","0.0004","31.03","0.0009","90","","91.991","0.001","90","","4617.4","0.2","296","2","296","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","Na[Ag(NHC)Cl].2SOMe2","","","- C31 H49 Ag Cl N2 Na2 O8 S4 -","- C31 H37 Ag Cl N2 Na2 O8 S4 -","- C124 H148 Ag4 Cl4 N8 Na8 O32 S16 -","4","1","","Baquero, Edwin A.; Silbestri, Gustavo F.; Gómez-Sal, Pilar; Flores, Juan C.; de Jesús, Ernesto","Sulfonated Water-Soluble N-Heterocyclic Carbene Silver(I) Complexes: Behavior in Aqueous Medium and as NHC-Transfer Agents to Platinum(II)","Organometallics","2013","32","9","2814","","10.1021/om400228s","","","0.71073","","","0.139","0.0822","","","0.2467","0.2975","","","","","","1.132","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080832","8.2265","0.0002","10.4402","0.0002","16.4703","0.0004","96.147","0.001","93.504","0.001","95.03","0.001","1397.47","0.06","293","2","293","2","","","","","","","synthesis as described","8","P -1","-P 1","2","Na[Pt(NHC)Cl2(dmso)].3H2O","","","- C11 H20 Cl2 N2 Na2 O10 Pt S3 -","- C11 H20 Cl2 N2 Na2 O10 Pt S3 -","- C22 H40 Cl4 N4 Na4 O20 Pt2 S6 -","2","1","","Baquero, Edwin A.; Silbestri, Gustavo F.; Gómez-Sal, Pilar; Flores, Juan C.; de Jesús, Ernesto","Sulfonated Water-Soluble N-Heterocyclic Carbene Silver(I) Complexes: Behavior in Aqueous Medium and as NHC-Transfer Agents to Platinum(II)","Organometallics","2013","32","9","2814","","10.1021/om400228s","","","0.71073","","","0.0906","0.0849","","","0.2411","0.256","","","","","","1.101","","","","has coordinates,has disorder","286259","2023-09-07","05:58:05",""
"4080833","9.5379","0.0004","14.2348","0.0005","18.071","0.0008","90","","98.527","0.002","90","","2426.38","0.17","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H64 B Fe O4 P -","- C56 H64 B Fe O4 P -","- C112 H128 B2 Fe2 O8 P2 -","2","1","","Khiri-Meribout, Naima; Bertrand, Etienne; Bayardon, Jérôme; Eymin, Marie-Joëlle; Rousselin, Yoann; Cattey, Hélène; Fortin, Daniel; Harvey, Pierre D.; Jugé, Sylvain","P-Chirogenic Phosphines Supported by Calix[4]arene: New Insight into Palladium-Catalyzed Asymmetric Allylic Substitution","Organometallics","2013","32","9","2827","","10.1021/om400229p","","","0.71073","MoKα","","0.1054","0.0827","","","0.1705","0.1899","","","","","","1.11","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080834","15.5827","0.0004","15.7535","0.0004","18.4561","0.0005","90","","90","","90","","4530.6","0.2","115","2","115","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H62 B O5 P -","- C53 H62 B O5 P -","- C212 H248 B4 O20 P4 -","4","1","","Khiri-Meribout, Naima; Bertrand, Etienne; Bayardon, Jérôme; Eymin, Marie-Joëlle; Rousselin, Yoann; Cattey, Hélène; Fortin, Daniel; Harvey, Pierre D.; Jugé, Sylvain","P-Chirogenic Phosphines Supported by Calix[4]arene: New Insight into Palladium-Catalyzed Asymmetric Allylic Substitution","Organometallics","2013","32","9","2827","","10.1021/om400229p","","","0.71073","MoKα","","0.1162","0.0586","","","0.1186","0.1389","","","","","","1.009","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080835","34.5194","0.001","9.5372","0.0002","24.9507","0.0008","90","","125.88","0.001","90","","6655.5","0.3","115","2","115","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C73 H82 B2 Cl2 Fe2 O4 P2 -","- C73 H82 B2 Cl2 Fe2 O4 P2 -","- C292 H328 B8 Cl8 Fe8 O16 P8 -","4","1","","Khiri-Meribout, Naima; Bertrand, Etienne; Bayardon, Jérôme; Eymin, Marie-Joëlle; Rousselin, Yoann; Cattey, Hélène; Fortin, Daniel; Harvey, Pierre D.; Jugé, Sylvain","P-Chirogenic Phosphines Supported by Calix[4]arene: New Insight into Palladium-Catalyzed Asymmetric Allylic Substitution","Organometallics","2013","32","9","2827","","10.1021/om400229p","","","0.71073","MoKα","","0.0678","0.0601","","","0.1203","0.127","","","","","","1.088","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080836","15.7555","0.0004","15.9369","0.0004","18.3866","0.0005","90","","90","","90","","4616.8","0.2","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H61 B Cl O5 P -","- C53 H61 B Cl O5 P -","- C212 H244 B4 Cl4 O20 P4 -","4","1","","Khiri-Meribout, Naima; Bertrand, Etienne; Bayardon, Jérôme; Eymin, Marie-Joëlle; Rousselin, Yoann; Cattey, Hélène; Fortin, Daniel; Harvey, Pierre D.; Jugé, Sylvain","P-Chirogenic Phosphines Supported by Calix[4]arene: New Insight into Palladium-Catalyzed Asymmetric Allylic Substitution","Organometallics","2013","32","9","2827","","10.1021/om400229p","","","0.71073","MoKα","","0.0692","0.047","","","0.0919","0.1021","","","","","","1.018","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080837","10.7324","0.0005","11.296","0.0006","13.2587","0.0004","82.295","0.003","89.823","0.003","64.399","0.004","1433.79","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H23 Cl O4 Ru -","- C38 H23 Cl O4 Ru -","- C76 H46 Cl2 O8 Ru2 -","2","1","","Mavrynsky, Denys; Rahkila, Jani; Bandarra, Daniel; Martins, Soraia; Meireles, Margarida; Calhorda, Maria José; Kovács, Ida J.; Zupkó, István; Hänninen, Mikko M.; Leino, Reko","Cytotoxicities of Polysubstituted Chlorodicarbonyl(cyclopentadienyl) and (Indenyl)ruthenium Complexes","Organometallics","2013","32","10","3012","","10.1021/om400234p","","","1.54184","CuKα","","0.0255","0.0248","","","0.0638","0.0643","","","","","","1.036","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080838","11.1495","0.0004","11.7004","0.0005","13.1208","0.0006","94.613","0.003","105.666","0.004","108.025","0.003","1541.85","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H35 Cl O2 Ru -","- C37 H35 Cl O2 Ru -","- C74 H70 Cl2 O4 Ru2 -","2","1","","Mavrynsky, Denys; Rahkila, Jani; Bandarra, Daniel; Martins, Soraia; Meireles, Margarida; Calhorda, Maria José; Kovács, Ida J.; Zupkó, István; Hänninen, Mikko M.; Leino, Reko","Cytotoxicities of Polysubstituted Chlorodicarbonyl(cyclopentadienyl) and (Indenyl)ruthenium Complexes","Organometallics","2013","32","10","3012","","10.1021/om400234p","","","1.54184","CuKα","","0.0317","0.0309","","","0.0811","0.0821","","","","","","1.034","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080839","15.3955","0.0008","15.0565","0.0008","33.9742","0.0017","90","","103.987","0.003","90","","7641.8","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Complex_13","","","- C36 H39 B Ir N6 O4 P -","- C36 H39 B Ir N6 O4 P -","- C288 H312 B8 Ir8 N48 O32 P8 -","8","2","","Tsoureas, Nikolaos; Hamilton, Alex; Haddow, Mairi F.; Harvey, Jeremy N.; Orpen, A. Guy; Owen, Gareth R.","Insight into the Hydrogen Migration Processes Involved in the Formation of Metal‒Borane Complexes: Importance of the Third Arm of the Scorpionate Ligand","Organometallics","2013","32","9","2840","","10.1021/om4002389","","","0.71073","MoKα","","0.0529","0.0425","","","0.0999","0.1034","","","","","","1.109","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080840","18.4965","0.0004","18.4965","0.0004","38.7777","0.0007","90","","90","","120","","11489.3","0.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","Complex_20","","","- C28 H24 B Ir N4 O -","- C28 H24 B Ir N4 O -","- C504 H432 B18 Ir18 N72 O18 -","18","1","","Tsoureas, Nikolaos; Hamilton, Alex; Haddow, Mairi F.; Harvey, Jeremy N.; Orpen, A. Guy; Owen, Gareth R.","Insight into the Hydrogen Migration Processes Involved in the Formation of Metal‒Borane Complexes: Importance of the Third Arm of the Scorpionate Ligand","Organometallics","2013","32","9","2840","","10.1021/om4002389","","","0.71073","MoKα","","0.0291","0.0213","","","0.0425","0.0436","","","","","","0.927","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080841","7.113","0.003","12.396","0.005","13.575","0.006","105.51","0.03","101.09","0.03","101.13","0.03","1093.3","0.9","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H16 Cl2 Fe I N O6 -","- C19 H16 Cl2 Fe I N O6 -","- C38 H32 Cl4 Fe2 I2 N2 O12 -","2","1","","Song, Li-Cheng; Zhao, Gao-Yu; Xie, Zhao-Jun; Zhang, Ji-Wei","A Novel Acylmethylpyridinol Ligand Containing Dinuclear Iron Complex Closely Related to [Fe]-Hydrogenase","Organometallics","2013","32","9","2509","","10.1021/om400240e","","","0.71073","MoKα","","0.0367","0.0302","","","0.0553","0.056","","","","","","0.984","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080842","9.5019","0.0019","20.434","0.004","11.461","0.002","90","","103.28","0.03","90","","2165.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Fe N2 O5 S -","- C22 H18 Fe N2 O5 S -","- C88 H72 Fe4 N8 O20 S4 -","4","1","","Song, Li-Cheng; Zhao, Gao-Yu; Xie, Zhao-Jun; Zhang, Ji-Wei","A Novel Acylmethylpyridinol Ligand Containing Dinuclear Iron Complex Closely Related to [Fe]-Hydrogenase","Organometallics","2013","32","9","2509","","10.1021/om400240e","","","0.71073","MoKα","","0.0995","0.0603","","","0.1227","0.141","","","","","","1.046","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080843","10.2407","0.0004","19.2337","0.0008","13.6351","0.0006","90","","111.878","0.001","90","","2492.24","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H16 Cl Fe2 N3 O8 S -","- C23.5 H16 Cl Fe2 N3 O8 S -","- C94 H64 Cl4 Fe8 N12 O32 S4 -","4","1","","Song, Li-Cheng; Zhao, Gao-Yu; Xie, Zhao-Jun; Zhang, Ji-Wei","A Novel Acylmethylpyridinol Ligand Containing Dinuclear Iron Complex Closely Related to [Fe]-Hydrogenase","Organometallics","2013","32","9","2509","","10.1021/om400240e","","","0.71073","MoKα","","0.0286","0.0257","","","0.0622","0.0639","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080844","7.0967","0.0006","10.4376","0.0009","54.077","0.005","90","","90","","90","","4005.6","0.6","100","2","100","2","","","","","","","","5","P 21 m n","P -2ab 2ab","31","[(C2H4)3Cu]7[SbF6]7","","","- C6 H12 Cu F6 Sb -","- C6 H12 Cu F6 Sb -","- C84 H168 Cu14 F84 Sb14 -","14","3.5","","Fianchini, Mauro; Campana, Charles F.; Chilukuri, Bhaskar; Cundari, Thomas R.; Petricek, Vaclav; Dias, H. V. Rasika","Use of [SbF6]−to Isolate Cationic Copper and Silver Adducts with More than One Ethylene on the Metal Center","Organometallics","2013","32","10","3034","","10.1021/om4002439","","","0.71073","MoKα","","0.082","0.0729","","","0.1687","0.178","","","","","","1.085","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080845","8.5814","0.0004","18.1377","0.0009","20.3187","0.001","101.544","0.002","96.973","0.002","93.283","0.002","3064.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H60 Cl2 Cu7 F30 Sb5 -","- C30 H60 Cl2 Cu7 F30 Sb5 -","- C60 H120 Cl4 Cu14 F60 Sb10 -","2","1","","Fianchini, Mauro; Campana, Charles F.; Chilukuri, Bhaskar; Cundari, Thomas R.; Petricek, Vaclav; Dias, H. V. Rasika","Use of [SbF6]−to Isolate Cationic Copper and Silver Adducts with More than One Ethylene on the Metal Center","Organometallics","2013","32","10","3034","","10.1021/om4002439","","","0.71073","MoKα","","0.0926","0.0675","","","0.2014","0.2184","","","","","","1.019","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080846","8.294","0.0007","11.975","0.001","11.995","0.001","90","","95.204","0.001","90","","1186.44","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[(C2H4)3Ag][SbF6]","","","- C6 H12 Ag F6 Sb -","- C6 H12 Ag F6 Sb -","- C24 H48 Ag4 F24 Sb4 -","4","1","","Fianchini, Mauro; Campana, Charles F.; Chilukuri, Bhaskar; Cundari, Thomas R.; Petricek, Vaclav; Dias, H. V. Rasika","Use of [SbF6]−to Isolate Cationic Copper and Silver Adducts with More than One Ethylene on the Metal Center","Organometallics","2013","32","10","3034","","10.1021/om4002439","","","0.71073","MoKα","","0.0641","0.0529","","","0.1399","0.1548","","","","","","1.031","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080847","10.1741","0.0006","13.158","0.0007","14.104","0.0008","99.456","0.003","95.412","0.003","104.306","0.003","1786.64","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","1648 [W(PNP-Ph)(CO)3Br]Br.CH3OH (3a.CH3OH)","[W(PNP-Ph)(CO)3Br]Br.CH3OH (3a.CH3OH)","","- C33 H29 Br2 N3 O4 P2 W -","- C32 H25 Br2 N3 O3 P2 W -","- C64 H50 Br4 N6 O6 P4 W2 -","2","1","","Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.","Organometallics","2013","32","10","3042","3052","10.1021/om400254k","","","0.71073","MoKα","","0.0625","0.0385","","","0.0822","0.0884","","","","","","0.98","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080848","29.6913","0.0015","10.7919","0.0005","16.7764","0.0008","90","","97.954","0.001","90","","5323.9","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","1155 [Mo(PNP-iPr)(CO)3Br]Br (4b)","[Mo(PNP-iPr)(CO)3Br]Br (4b)","","- C20 H33 Br2 Mo N3 O3 P2 -","- C20 H33 Br2 Mo N3 O3 P2 -","- C160 H264 Br16 Mo8 N24 O24 P16 -","8","1","","Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.","Organometallics","2013","32","10","3042","3052","10.1021/om400254k","","","0.71073","MoKα","","0.0351","0.0273","","","0.0693","0.0734","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080849","18.6552","0.0005","12.1772","0.0003","10.9035","0.0002","90","","90","","90","","2476.93","0.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","1683 [Mo(PNPMe-iPr)(CO)3] (2d)","[Mo(PNPMe-iPr)(CO)3] (2d)","","- C22 H37 Mo N3 O3 P2 -","- C22 H37 Mo N3 O3 P2 -","- C88 H148 Mo4 N12 O12 P8 -","4","0.5","","Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.","Organometallics","2013","32","10","3042","3052","10.1021/om400254k","","","0.71073","MoKα","","0.0276","0.0217","","","0.0507","0.0534","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080850","10.1399","0.001","15.5053","0.0018","20.036","0.002","90","","94.485","0.005","90","","3140.5","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","oemw [W(PNP-iPr)(CO)3].THF.1/2hexane (5b.THF.1/2hexane)","[W(PNP-iPr)(CO)3].THF.1/2hexane (5b.THF.1/2hexane)","","- C27 H48 N3 O4 P2 W -","- C24 H41 N3 O4 P2 W -","- C96 H164 N12 O16 P8 W4 -","4","1","","Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.","Organometallics","2013","32","10","3042","3052","10.1021/om400254k","","","0.71073","MoKα","","0.0689","0.0398","","","0.0805","0.0907","","","","","","1.046","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080851","8.948","0.0002","16.2069","0.0004","21.6874","0.0005","90","","95.539","0.001","90","","3130.41","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1667 [W(PNP-tBu)(CO)3].THF (5c.THF)","[W(PNP-tBu)(CO)3].THF (5c.THF)","","- C28 H49 N3 O4 P2 W -","- C28 H49 N3 O4 P2 W -","- C112 H196 N12 O16 P8 W4 -","4","1","","Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.","Organometallics","2013","32","10","3042","3052","10.1021/om400254k","","","0.71073","MoKα","","0.0226","0.0202","","","0.047","0.0479","","","","","","1.022","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080852","17.4696","0.0005","15.529","0.0004","23.394","0.0006","90","","90","","90","","6346.5","0.3","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","1664 [Mo(PNP-Ph)(CO)3H]BF4 (7a)","[Mo(PNP-Ph)(CO)3H]BF4 (7a)","","- C32 H26 B F4 Mo N3 O3 P2 -","- C32 H26 B F4 Mo N3 O3 P2 -","- C256 H208 B8 F32 Mo8 N24 O24 P16 -","8","1","","Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.","Organometallics","2013","32","10","3042","3052","10.1021/om400254k","","","0.71073","MoKα","","0.0302","0.0252","","","0.0595","0.0636","","","","","","1.114","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080853","8.4324","0.0003","23.4895","0.0007","16.2384","0.0005","90","","104.815","0.002","90","","3109.46","0.18","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","1691 [Mo(PNPMe-iPr)(CO)3H]BF4.CH2Cl2 (7d.CH2Cl2)","[Mo(PNPMe-iPr)(CO)3H]BF4.CH2Cl2 (7d.CH2Cl2)","","- C23 H40 B Cl2 F4 Mo N3 O3 P2 -","- C23 H40 B Cl2 F4 Mo N3 O3 P2 -","- C92 H160 B4 Cl8 F16 Mo4 N12 O12 P8 -","4","1","","Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.","Organometallics","2013","32","10","3042","3052","10.1021/om400254k","","","0.71073","MoKα","","0.0253","0.0216","","","0.0504","0.0525","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080854","17.515","0.0004","15.5022","0.0003","23.3387","0.0005","90","","90","","90","","6336.9","0.2","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","1665 [W(PNP-Ph)(CO)3H]BF4 (8a)","[W(PNP-Ph)(CO)3H]BF4 (8a)","","- C32 H26 B F4 N3 O3 P2 W -","- C32 H26 B F4 N3 O3 P2 W -","- C256 H208 B8 F32 N24 O24 P16 W8 -","8","1","","Oztopcu, Ozgür; Holzhacker, Christian; Puchberger, Michael; Weil, Matthias; Mereiter, Kurt; Veiros, Luis F.; Kirchner, Karl","Synthesis and Characterization of Hydrido Carbonyl Molybdenum and Tungsten PNP Pincer Complexes.","Organometallics","2013","32","10","3042","3052","10.1021/om400254k","","","0.71073","MoKα","","0.026","0.02","","","0.0385","0.0406","","","","","","1.123","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080855","10.969","0.001","15.882","0.0014","20.704","0.0018","90","","102.446","0.002","90","","3522.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 B Fe N2 P3 -","- C36 H56 B Fe N2 P3 -","- C144 H224 B4 Fe4 N8 P12 -","4","1","","Fong, Henry; Moret, Marc-Etienne; Lee, Yunho; Peters, Jonas C.","Heterolytic H2Cleavage and Catalytic Hydrogenation by an Iron Metallaboratrane","Organometallics","2013","32","10","3053","","10.1021/om400281v","","","0.71073","MoKα","","0.0865","0.0505","","","0.1111","0.1264","","","","","","1.035","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080856","10.6196","0.0006","21.3418","0.0013","15.6111","0.0009","90","","94.019","0.004","90","","3529.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H55 B Fe P3 -","- C36 H55 B Fe P3 -","- C144 H220 B4 Fe4 P12 -","4","1","","Fong, Henry; Moret, Marc-Etienne; Lee, Yunho; Peters, Jonas C.","Heterolytic H2Cleavage and Catalytic Hydrogenation by an Iron Metallaboratrane","Organometallics","2013","32","10","3053","","10.1021/om400281v","","","0.71073","MoKα","","0.1021","0.0548","","","0.127","0.1511","","","","","","1.056","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080857","11.2415","0.0003","11.2415","0.0003","59.3261","0.0018","90","","90","","120","","6492.7","0.3","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C43 H69 B Fe N P3 Si0.5 -","- C42.99 H69.03 B Fe N0.99 P3 Si0.5 -","- C257.94 H414.18 B6 Fe6 N5.94 P18 Si3 -","6","0.333333","","Fong, Henry; Moret, Marc-Etienne; Lee, Yunho; Peters, Jonas C.","Heterolytic H2Cleavage and Catalytic Hydrogenation by an Iron Metallaboratrane","Organometallics","2013","32","10","3053","","10.1021/om400281v","","","0.71073","MoKα","","0.0771","0.0611","","","0.1562","0.1683","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080858","28.1082","0.0011","11.7188","0.0005","12.0896","0.0005","90","","90","","90","","3982.2","0.3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H65 B Fe N P3 -","- C41 H65 B Fe N P3 -","- C164 H260 B4 Fe4 N4 P12 -","4","1","","Fong, Henry; Moret, Marc-Etienne; Lee, Yunho; Peters, Jonas C.","Heterolytic H2Cleavage and Catalytic Hydrogenation by an Iron Metallaboratrane","Organometallics","2013","32","10","3053","","10.1021/om400281v","","","0.71073","MoKα","","0.0531","0.0369","","","0.0807","0.0878","","","","","","0.944","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080859","11.7652","0.0005","18.1293","0.0008","18.8179","0.0008","112.296","0.002","90.625","0.002","105.264","0.002","3555","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H58 B Fe P3 -","- C38 H58 B Fe P3 -","- C152 H232 B4 Fe4 P12 -","4","2","","Fong, Henry; Moret, Marc-Etienne; Lee, Yunho; Peters, Jonas C.","Heterolytic H2Cleavage and Catalytic Hydrogenation by an Iron Metallaboratrane","Organometallics","2013","32","10","3053","","10.1021/om400281v","","","0.71073","MoKα","","0.0761","0.0428","","","0.1232","0.1475","","","","","","0.942","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080860","25.3343","0.0011","15.1553","0.0006","23.4782","0.001","90","","113.176","0.002","90","","8287","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H61 B Fe P3 -","- C45 H61 B Fe P3 -","- C360 H488 B8 Fe8 P24 -","8","2","","Fong, Henry; Moret, Marc-Etienne; Lee, Yunho; Peters, Jonas C.","Heterolytic H2Cleavage and Catalytic Hydrogenation by an Iron Metallaboratrane","Organometallics","2013","32","10","3053","","10.1021/om400281v","","","0.71073","MoKα","","0.1171","0.0671","","","0.1565","0.1824","","","","","","1.049","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080861","14.7183","0.0008","22.2944","0.0013","14.841","0.0009","90","","103.864","0.003","90","","4728","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H76 B2 Fe P4 -","- C48 H76 B2 Fe P4 -","- C192 H304 B8 Fe4 P16 -","4","0.5","","Fong, Henry; Moret, Marc-Etienne; Lee, Yunho; Peters, Jonas C.","Heterolytic H2Cleavage and Catalytic Hydrogenation by an Iron Metallaboratrane","Organometallics","2013","32","10","3053","","10.1021/om400281v","","","0.71073","MoKα","","0.0668","0.0374","","","0.0885","0.1027","","","","","","1.028","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080862","36.5798","0.0008","11.7777","0.0003","17.1309","0.0004","90","","104.243","0.001","90","","7153.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H55 Fe O P3 Si -","- C37 H55 Fe O P3 Si -","- C296 H440 Fe8 O8 P24 Si8 -","8","1","","Fong, Henry; Moret, Marc-Etienne; Lee, Yunho; Peters, Jonas C.","Heterolytic H2Cleavage and Catalytic Hydrogenation by an Iron Metallaboratrane","Organometallics","2013","32","10","3053","","10.1021/om400281v","","","1.54178","CuKα","","0.029","0.0273","","","0.0693","0.0703","","","","","","1.046","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080863","10.0715","0.0002","27.7173","0.0004","11.3586","0.0002","90","","95.084","0.001","90","","3158.33","0.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 B P -","- C40 H38 B P -","- C160 H152 B4 P4 -","4","1","","Li, Yu-Fei; Kang, Youngjin; Ko, Soo-Byung; Rao, Yingli; Sauriol, Francoise; Wang, Suning","Highly Congested Donor‒Acceptor P‒B Compound: Synthesis and Properties of a BMes2- and a PPh2-Functionalized 1,8-Naphthalene","Organometallics","2013","32","10","3063","","10.1021/om4002846","","","0.71073","MoKα","","0.0556","0.0418","","","0.104","0.1115","","","","","","1.058","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080864","12.63","0.008","12.13","0.007","21.567","0.013","90","","105.285","0.007","90","","3187","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 B O P -","- C40 H38 B O P -","- C160 H152 B4 O4 P4 -","4","1","","Li, Yu-Fei; Kang, Youngjin; Ko, Soo-Byung; Rao, Yingli; Sauriol, Francoise; Wang, Suning","Highly Congested Donor‒Acceptor P‒B Compound: Synthesis and Properties of a BMes2- and a PPh2-Functionalized 1,8-Naphthalene","Organometallics","2013","32","10","3063","","10.1021/om4002846","","","0.71073","MoKα","","0.1954","0.0697","","","0.1341","0.185","","","","","","0.97","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080865","17.3754","0.001","13.5398","0.0008","31.1195","0.0018","90","","93.127","0.001","90","","7310.3","0.7","295","1","295","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H35 Cl O4 P2 Ru -","- C44 H35 Cl O4 P2 Ru -","- C352 H280 Cl8 O32 P16 Ru8 -","8","1","","Musa, Sanaa; Fronton, Sveta; Vaccaro, Luigi; Gelman, Dmitri","Bifunctional Ruthenium(II) PCP Pincer Complexes and Their Catalytic Activity in Acceptorless Dehydrogenative Reactions","Organometallics","2013","32","10","3069","","10.1021/om400285r","","","0.71073","MoKα","","0.0659","0.0594","","","0.1403","0.1438","","","","","","1.254","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080866","11.858","0.0005","16.1553","0.0006","16.4658","0.0006","66.663","0.002","75.207","0.002","79.34","0.002","2787.78","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H144 F20 N4 P8 Pd4 -","- C100 H144.014 F20 N4 P8 Pd4 -","- C100 H144.014 F20 N4 P8 Pd4 -","1","0.5","","Orbach, Meital; Zenkina, Olena V.; Diskin-Posner, Yael; Iron, Mark A.; van der Boom, Milko E.","A Phosphine-Accelerated ArF‒Chloride Bond Activation Process by Palladium","Organometallics","2013","32","10","3074","","10.1021/om400295p","","","0.71073","MoKα","","0.0785","0.0436","","","0.0967","0.1134","","","","","","1.041","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080867","13.312","0.0004","11.045","0.0006","38.614","0.0016","90","","90","","90","","5677.5","0.4","120","2","120","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H36 Cl F4 N P2 Pd -","- C25 H36 Cl F4 N P2 Pd -","- C200 H288 Cl8 F32 N8 P16 Pd8 -","8","1","","Orbach, Meital; Zenkina, Olena V.; Diskin-Posner, Yael; Iron, Mark A.; van der Boom, Milko E.","A Phosphine-Accelerated ArF‒Chloride Bond Activation Process by Palladium","Organometallics","2013","32","10","3074","","10.1021/om400295p","","","0.71073","MoKα","","0.1084","0.0498","","","0.1093","0.1265","","","","","","0.989","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080868","10.1354","0.0014","20.092","0.003","25.755","0.004","90","","90","","90","","5244.8","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H42 Cl2 N6 P2 Ru -","- C54 H42 Cl2 N6 P2 Ru -","- C216 H168 Cl8 N24 P8 Ru4 -","4","1","","Du, Wangming; Wu, Ping; Wang, Qingfu; Yu, Zhengkun","Ruthenium(II) Complex Catalysts Bearing a Pyridyl-Based Benzimidazolyl‒Benzotriazolyl Ligand for Transfer Hydrogenation of Ketones","Organometallics","2013","32","10","3083","","10.1021/om400298c","","","0.71073","MoKα","","0.0979","0.0654","","","0.1424","0.1538","","","","","","0.958","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080869","15.338","0.007","13.72","0.006","27.325","0.011","90","","96.145","0.012","90","","5717","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H58 N6 P2 Ru -","- C67.5 H58 N6 P2 Ru -","- C270 H232 N24 P8 Ru4 -","4","1","","Du, Wangming; Wu, Ping; Wang, Qingfu; Yu, Zhengkun","Ruthenium(II) Complex Catalysts Bearing a Pyridyl-Based Benzimidazolyl‒Benzotriazolyl Ligand for Transfer Hydrogenation of Ketones","Organometallics","2013","32","10","3083","","10.1021/om400298c","","","0.71073","MoKα","","0.1024","0.0576","","","0.1373","0.1571","","","","","","0.996","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080870","11.6427","0.0008","11.4432","0.0005","22.0114","0.0015","90","","107.414","0.003","90","","2798.2","0.3","200.1","","200","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Fe N O S Si -","- C32 H29 Fe N O S Si -","- C128 H116 Fe4 N4 O4 S4 Si4 -","4","1","","Fukumoto, Kozo; Sakai, Akane; Hayasaka, Kazumasa; Nakazawa, Hiroshi","Desulfurization and H-Migration of Secondary Thioamides Catalyzed by an Iron Complex to Yield Imines and Their Reaction Mechanism","Organometallics","2013","32","10","2889","","10.1021/om400304v","","","0.7107","MoKα","","","0.0373","","","","0.1048","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080871","33.3303","0.0007","13.1354","0.0003","26.2782","0.0005","90","","90.584","0.001","90","","11504.2","0.4","153","2","153","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C54.5 H37 B Br2 F24 N2 O Pt -","- C54.5 H37 B Br2 F24 N2 O Pt -","- C436 H296 B8 Br16 F192 N16 O8 Pt8 -","8","1","","McKeown, Bradley A.; Gonzalez, H. Emanuel; Friedfeld, Max R.; Brosnahan, Anna M.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal","Platinum(II)-Catalyzed Ethylene Hydrophenylation: Switching Selectivity between Alkyl- and Vinylbenzene Production","Organometallics","2013","32","9","2857","","10.1021/om400306w","","","0.71073","MoKα","","0.0598","0.0501","","","0.1523","0.159","","","","","","1.284","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080872","13.9767","0.0015","17.7168","0.0018","19.951","0.002","90","","92.806","0.002","90","","4934.4","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H25 B F24 N4 O4 Pt -","- C45 H25 B F24 N4 O4 Pt -","- C180 H100 B4 F96 N16 O16 Pt4 -","4","1","","McKeown, Bradley A.; Gonzalez, H. Emanuel; Friedfeld, Max R.; Brosnahan, Anna M.; Gunnoe, T. Brent; Cundari, Thomas R.; Sabat, Michal","Platinum(II)-Catalyzed Ethylene Hydrophenylation: Switching Selectivity between Alkyl- and Vinylbenzene Production","Organometallics","2013","32","9","2857","","10.1021/om400306w","","","0.71073","MoKα","","0.1867","0.0664","","","0.1376","0.1856","","","","","","0.964","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080873","17.6109","0.0003","12.2187","0.0003","16.6542","0.0003","90","","111.849","0.001","90","","3326.27","0.12","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Au Br2 F N3 O2 -","- C35 H33 Au Br2 F N3 O2 -","- C140 H132 Au4 Br8 F4 N12 O8 -","4","1","","Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S.","Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization","Organometallics","2013","32","10","3108","","10.1021/om400310z","","","0.71073","MoKα","","0.0401","0.0285","","","0.0581","0.0613","","","","","","1.072","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080874","9.7911","0.0005","13.9362","0.0007","15.3479","0.0008","72.352","0.001","74.022","0.001","86.479","0.001","1918.02","0.17","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H24 Au Br2 N3 O2 -","- C15 H24 Au Br2 N3 O2 -","- C60 H96 Au4 Br8 N12 O8 -","4","2","","Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S.","Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization","Organometallics","2013","32","10","3108","","10.1021/om400310z","","","0.71073","MoKα","","0.0421","0.0307","","","0.0654","0.0688","","","","","","1.007","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080875","19.8674","0.0017","13.3922","0.0011","8.3251","0.0007","90","","90","","90","","2215","0.3","110","2","110","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H24 Au Br2 N3 O2 -","- C19 H24 Au Br2 N3 O2 -","- C76 H96 Au4 Br8 N12 O8 -","4","0.5","","Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S.","Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization","Organometallics","2013","32","10","3108","","10.1021/om400310z","","","0.71073","MoKα","","0.0352","0.0319","","","0.0845","0.0871","","","","","","1.073","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080876","11.8766","0.0006","17.1592","0.0009","9.4378","0.0005","90","","90","","90","","1923.36","0.17","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H24 Au N3 O2 -","- C19 H24 Au N3 O2 -","- C76 H96 Au4 N12 O8 -","4","0.5","","Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S.","Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization","Organometallics","2013","32","10","3108","","10.1021/om400310z","","","0.71073","MoKα","","0.0246","0.02","","","0.0441","0.0456","","","","","","1.022","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080877","11.8901","0.0009","14.8899","0.0011","15.2604","0.0012","106.69","0.001","107.283","0.001","96.264","0.001","2414.6","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H61 Au2 Br4 F N6 O4 -","- C40 H61 Au2 Br4 F N6 O4 -","- C80 H122 Au4 Br8 F2 N12 O8 -","2","1","","Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S.","Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization","Organometallics","2013","32","10","3108","","10.1021/om400310z","","","0.71073","MoKα","","0.03","0.0247","","","0.0617","0.0639","","","","","","1.032","","","","has coordinates,has disorder","178697","2020-10-21","18:00:00",""
"4080878","9.6744","0.0004","20.2249","0.0009","12.7004","0.0006","90","","109.804","0.001","90","","2338.04","0.18","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Au N3 O2 -","- C25 H28 Au N3 O2 -","- C100 H112 Au4 N12 O8 -","4","1","","Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S.","Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization","Organometallics","2013","32","10","3108","","10.1021/om400310z","","","0.71073","MoKα","","0.0271","0.0229","","","0.0525","0.054","","","","","","1.047","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080879","11.3451","0.0008","10.6675","0.0007","27.4051","0.0019","90","","90","","90","","3316.7","0.4","110","2","110","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H24 Au N3 O2 -","- C15 H24 Au N3 O2 -","- C120 H192 Au8 N24 O16 -","8","2","","Reeds, Jonathan P.; Whitwood, Adrian C.; Healy, Mark P.; Fairlamb, Ian J. S.","Synthesis and Reactivity of N-Heterocyclic Carbene Gold(I) and Gold(III) Imidate Complexes and Their Catalytic Activity in 1,5-Enyne Cycloisomerization","Organometallics","2013","32","10","3108","","10.1021/om400310z","","","0.71073","MoKα","","0.0282","0.0213","","","0.045","0.0472","","","","","","1.037","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080880","10.3235","0.0002","12.5522","0.0003","14.3656","0.0004","91.4334","0.0009","108.448","0.001","110.347","0.001","1636.49","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","Li4[(N(SiMe3)CH2CH2)2O]2","","- C20 H52 Li4 N4 O2 Si4 -","- C20 H52 Li4 N4 O2 Si4 -","- C40 H104 Li8 N8 O4 Si8 -","2","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","0.71073","MoKα","","0.1209","0.0673","","0.0478","0.0342","0.0312","","","","","","1.0539","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080881","12.5602","0.0002","28.568","0.0005","13.1348","0.0002","90","","104.057","0.0006","90","","4571.9","0.13","150","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","Ti(N2ArO)(NNPh2)(py)2","","- C40 H46 N6 O Si2 Ti -","- C40 H46 N6 O Si2 Ti -","- C160 H184 N24 O4 Si8 Ti4 -","4","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","0.71073","MoKα","","0.1407","0.0853","","0.1055","0.0777","0.0713","","","","","","1.0878","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080882","10.1761","0.0001","18.8025","0.0002","29.2221","0.0004","103.809","0.0005","99.2816","0.0005","99.0278","0.0006","5245.98","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","Ti(N2O)(NNPh2)(py)2","","- C32 H46 N6 O Si2 Ti -","- C32 H46 N6 O Si2 Ti -","- C192 H276 N36 O6 Si12 Ti6 -","6","3","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","0.71073","MoKα","","0.1744","","","0.1147","","0.0618","","","","","","1.1477","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080883","11.2543","0.0003","13.2633","0.0003","19.3767","0.0005","91.2","0.001","101.007","0.0011","107.604","0.0011","2696.59","0.12","150","","150","","","","","","","","","6","P -1","-P 1","2","","Ti(N2ArO)(NNPh2)(bipy_tBu)","","- C51.5 H64 N6 O Si2 Ti -","- C51.5 H64 N6 O Si2 Ti -","- C103 H128 N12 O2 Si4 Ti2 -","2","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","0.71073","MoKα","","0.1421","0.0982","","0.1333","0.0986","0.0931","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080884","10.0067","0.0001","19.2","0.0002","17.1616","0.0002","90","","98.5373","0.0004","90","","3260.7","0.06","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ti(O(CH2CH2NSiMe3)2)(NNPh2)(bipy)","","- C32 H44 N6 O Si2 Ti -","- C32 H44 N6 O Si2 Ti -","- C128 H176 N24 O4 Si8 Ti4 -","4","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","0.71073","MoKα","","0.0767","0.0454","","0.062","0.0417","0.0391","","","","","","1.1587","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080885","19.8316","0.0002","22.3574","0.0002","47.3876","0.0007","90","","90","","90","","21010.9","0.4","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","Ti (N2O)(NNPh2){N(NPh2)C(NAr)S}(py)","","- C52 H70 N6 O S Si2 Ti -","- C52 H70 N6 O S Si2 Ti -","- C832 H1120 N96 O16 S16 Si32 Ti16 -","16","2","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","1.54184","CuKα","","0.1049","0.0799","","0.0736","0.0666","0.0648","","","","","","0.9054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080886","11.6769","0.0009","13.0496","0.0009","14.0198","0.0011","64.159","0.007","71.134","0.007","69.448","0.007","1763.2","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","Ti2(N2O)2(u-Se)2","","- C20 H52 N4 O2 Se2 Si4 Ti2 -","- C20 H52 N4 O2 Se2 Si4 Ti2 -","- C40 H104 N8 O4 Se4 Si8 Ti4 -","2","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","1.54184","CuKα","","0.1053","0.0962","","0.0981","0.0892","0.088","","","","","","1.1927","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080887","12.1879","0.0002","12.4631","0.0001","18.7917","0.0003","73.5239","0.0005","86.8122","0.0005","65.5205","0.0005","2484.9","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","Ti(N2ArO)(NC(ArF)NNPh2)(py)","","- C47 H46 F5 N7 O Si2 Ti -","- C47 H46 F5 N7 O Si2 Ti -","- C94 H92 F10 N14 O2 Si4 Ti2 -","2","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","0.71073","MoKα","","0.0971","0.0719","","0.099","0.0772","0.0737","","","","","","1.0426","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080888","37.6557","0.0004","11.8874","0.0001","18.5197","0.0002","90","","97.1298","0.0005","90","","8225.84","0.14","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Ti(N2O)(NC(ArF)NNPh)(py)2","","- C39 H46 F5 N7 O Si2 Ti -","- C39 H46 F5 N7 O Si2 Ti -","- C312 H368 F40 N56 O8 Si16 Ti8 -","8","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","0.71073","MoKα","","0.1085","0.0476","","0.095","0.0465","0.0412","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080889","10.5115","0.0001","11.0721","0.0001","15.8554","0.0002","70.7026","0.0005","73.1029","0.0005","66.3732","0.0006","1568.72","0.03","150","","150","","","","","","","","","6","P -1","-P 1","2","","Ti(O(CH2CH2NSiMe3)2)(NCNtBu)(NPh2)","","- C27 H45 N5 O Si2 Ti -","- C27 H45 N5 O Si2 Ti -","- C54 H90 N10 O2 Si4 Ti2 -","2","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","0.71073","MoKα","","0.0568","0.0398","","0.0622","0.0458","0.0433","","","","","","1.0635","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080890","13.941","0.003","15.331","0.003","19.787","0.004","90","","107.51","0.03","90","","4033.1","1.6","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ti(O(CH2CH2NSiMe3)(CH2CH2NCN(Xyl)(SiMe3))(NCNXyl)(NPh2)","","- C40 H54 N6 O Si2 Ti -","- C40 H54 N6 O Si2 Ti -","- C160 H216 N24 O4 Si8 Ti4 -","4","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","0.71073","MoKα","","0.1122","0.0687","","0.0762","0.0616","0.059","","","","","","1.0621","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080891","10.0433","0.0002","19.1205","0.0005","16.3472","0.0004","90","","90.2581","0.0009","90","","3139.17","0.13","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Ti(O(CH2CH2NSiMe3)(CH2CH2NC(Me)C(Ph)NSiMe3)NPh2","","- C31 H44 N4 O Si2 Ti -","- C31 H44 N4 O Si2 Ti -","- C124 H176 N16 O4 Si8 Ti4 -","4","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","0.71073","MoKα","","0.0719","0.0466","","0.0593","0.0483","0.0462","","","","","","1.1236","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080892","20.6564","0.0002","10.49603","0.00011","15.80991","0.00017","90","","96.128","0.001","90","","3408.16","0.06","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ti(N2O)(CH2CH2NC(Me)C(C6H4CF3)NSiMe3)NPh2","","- C32 H43 F3 N4 O Si2 Ti -","- C32 H43 F3 N4 O Si2 Ti -","- C128 H172 F12 N16 O4 Si8 Ti4 -","4","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","1.54184","CuKα","","0.0385","0.0355","","0.0406","0.0396","0.0393","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080893","8.6182","0.0007","11.8395","0.0009","17.0966","0.0014","74.409","0.007","85.427","0.006","74.224","0.007","1616.9","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","Ti(O(CH2CH2NSiMe3)(CH2CH2NC(H)C(Ph)NSiMe3)NPh2","","- C31 H44 N4 O Si2 Ti -","- C31 H44 N4 O Si2 Ti -","- C62 H88 N8 O2 Si4 Ti2 -","2","1","","Unruangsri, Junjuda; Morgan, Hannah; Schwarz, Andrew D.; Schofield, A. Daniel; Mountford, Philip","Synthesis and Reactivity of Titanium Hydrazido Complexes Supported by Diamido-Ether Ligands","Organometallics","2013","32","10","3091","","10.1021/om400311w","","","1.54184","CuKα","","0.0446","0.0394","","0.0426","0.0409","0.0405","","","","","","1.0298","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080894","7.9541","0.0008","13.085","0.0014","18.971","0.003","90","","90","","90","","1974.5","0.4","293","2","120","2","","","","","","","","3","P b n a","-P 2ac 2b","60","[(COD)Pt(CC(2Me)Ph)2]","Bis((2-methylphenyl)ethynyl)(1,5-cyclooctadien)platinum(II)","","- C26 H26 Pt -","- C26 H26 Pt -","- C104 H104 Pt4 -","4","0.5","","Lüning, Anna; Schur, Julia; Hamel, Laura; Ott, Ingo; Klein, Axel","Strong Cytotoxicity of Organometallic Platinum Complexes with Alkynyl Ligands","Organometallics","2013","32","13","3662","","10.1021/om400293u","","","0.71073","MoKα","","0.0483","0.0323","","","0.0827","0.0926","","","","","","0.947","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080895","11.0258","0.0014","7.9891","0.0008","11.8817","0.0013","90","","100.068","0.014","90","","1030.5","0.2","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","[(COD)Pt(CC(3Me)Ph)2]","Bis((3-methylphenyl)ethynyl)(1,5-cyclooctadien)platinum(II)","","- C26 H26 Pt -","- C26 H26 Pt -","- C52 H52 Pt2 -","2","0.5","","Lüning, Anna; Schur, Julia; Hamel, Laura; Ott, Ingo; Klein, Axel","Strong Cytotoxicity of Organometallic Platinum Complexes with Alkynyl Ligands","Organometallics","2013","32","13","3662","","10.1021/om400293u","","","0.71073","MoKα","","0.0346","0.0274","","","0.0629","0.0648","","","","","","1.18","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080896","10.3303","0.0011","7.9232","0.0012","11.9632","0.0013","90","","90.055","0.008","90","","979.2","0.2","293","2","170","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","[(COD)Pt(CC(4Me)Ph)2]","Bis((4-methylphenyl)ethynyl)(1,5-cyclooctadien)platinum(II)","","- C26 H26 Pt -","- C26 H26 Pt -","- C52 H52 Pt2 -","2","0.5","","Lüning, Anna; Schur, Julia; Hamel, Laura; Ott, Ingo; Klein, Axel","Strong Cytotoxicity of Organometallic Platinum Complexes with Alkynyl Ligands","Organometallics","2013","32","13","3662","","10.1021/om400293u","","","0.71073","MoKα","","0.027","0.0242","","","0.063","0.0638","","","","","","1.172","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080897","10.0746","0.0017","7.8999","0.0017","11.7544","0.0017","90","","95.684","0.019","90","","930.9","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","[(COD)Pt(CC(4F)Ph)2]","Bis((4-fluorophenyl)ethynyl)(1,5-cyclooctadien)platinum(II)","","- C24 H20 F2 Pt -","- C24 H20 F2 Pt -","- C48 H40 F4 Pt2 -","2","0.5","","Lüning, Anna; Schur, Julia; Hamel, Laura; Ott, Ingo; Klein, Axel","Strong Cytotoxicity of Organometallic Platinum Complexes with Alkynyl Ligands","Organometallics","2013","32","13","3662","","10.1021/om400293u","","","0.71073","MoKα","","0.0654","0.0339","","","0.0541","0.0594","","","","","","0.863","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080898","11.326","0.002","7.898","0.0007","12.0525","0.0018","90","","93.06","0.02","90","","1076.6","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","[(COD)Pt(CC(4OMe)Ph)2]","Bis((4-methoxyphenyl)ethynyl)(1,5-cyclooctadien)platinum(II)","","- C26 H20 O2 Pt -","- C26 H20 O2 Pt -","- C52 H40 O4 Pt2 -","2","0.5","","Lüning, Anna; Schur, Julia; Hamel, Laura; Ott, Ingo; Klein, Axel","Strong Cytotoxicity of Organometallic Platinum Complexes with Alkynyl Ligands","Organometallics","2013","32","13","3662","","10.1021/om400293u","","","0.71073","MoKα","","0.1028","0.0614","","","0.1255","0.1429","","","","","","1.051","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080899","18.893","0.005","9.615","0.005","8.14","0.005","90","","90","","90","","1478.7","1.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","[(COD)Pt(Me)(CC(4F)Ph)]","((4-Fluorophenyl)ethynyl)(methyl)(1,5-cyclooctadiene)platinum(II)","","- C17 H22 F Pt -","- C17 H19 F Pt -","- C68 H76 F4 Pt4 -","4","0.5","","Lüning, Anna; Schur, Julia; Hamel, Laura; Ott, Ingo; Klein, Axel","Strong Cytotoxicity of Organometallic Platinum Complexes with Alkynyl Ligands","Organometallics","2013","32","13","3662","","10.1021/om400293u","","","0.71073","MoKα","","0.0545","0.0331","","","0.0604","0.0642","","","","","","1.08","","","","has coordinates","178697","2020-10-21","18:00:00",""
"4080900","8.2036","0.0016","10.3681","0.0014","18.997","0.003","90","","107.414","0.014","90","","1541.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","[(COD)Pt(Me)(CC(3Me)Ph)]","((3-Methylphenyl)ethynyl)(methyl)(1,5-cyclooctadiene)platinum(II)","","- C18 H22 Pt -","- C18 H22 Pt -","- C72 H88 Pt4 -","4","1","","Lüning, Anna; Schur, Julia; Hamel, Laura; Ott, Ingo; Klein, Axel","Strong Cytotoxicity of Organometallic Platinum Complexes with Alkynyl Ligands","Organometallics","2013","32","13","3662","","10.1021/om400293u","","","0.71073","MoKα","","0.0859","0.0323","","","0.0582","0.0704","","","","","","0.845","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080901","14.1528","0.0004","8.4997","0.0002","16.9359","0.0004","90","","91.87","0.003","90","","2036.21","0.09","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2Z,3Z)-3-ethoxy-1-(4-methoxyphenyl)-4-phenyl-2-(phenylimino)-but-3-en-1-one","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Flores-Conde, María Inés; Vázquez, Miguel Angel; Reyes, Leonor; Tamariz, Joaquín; Delgado, Francisco","Unprecedented Synthesis of 3-Alkenyl-3-ethoxy-2-iminoketones via 1,3-Dipolar Cycloadditions of Nitrones with Alkynyl Fischer Carbene Complexes","Organometallics","2013","32","15","4244","","10.1021/om400420c","","","0.71073","MoKα","","0.1025","0.0673","","","0.1391","0.1508","","","","","","1.066","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080902","19.184","0.001","17.092","0.0009","19.6003","0.001","90","","106.77","0.001","90","","6153.5","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 Au3 Cl2 Cu F6 P4 -","- C62 H66 Au3 Cl2 Cu F6 P4 -","- C248 H264 Au12 Cl8 Cu4 F24 P16 -","4","1","","Shakirova, Julia R.; Grachova, Elena V.; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Haukka, Matti; Pakkanen, Tapani A.; Koshevoy, Igor O.","Toward Luminescence Vapochromism of Tetranuclear AuI‒CuIClusters","Organometallics","2013","32","15","4061","","10.1021/om301100v","","","0.71073","MoKα","","0.0857","0.0465","","","0.1076","0.127","","","","","","1.036","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080903","24.1779","0.0009","24.1779","0.0009","25.2815","0.0009","90","","90","","90","","14778.8","0.9","100","2","100","2","","","","","","","","7","I -4","I -4","82","","","","- C64 H70 Au3 Cu F6 O4 P4 -","- C64 H70 Au3 Cu F6 O4 P4 -","- C512 H560 Au24 Cu8 F48 O32 P32 -","8","1","","Shakirova, Julia R.; Grachova, Elena V.; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Haukka, Matti; Pakkanen, Tapani A.; Koshevoy, Igor O.","Toward Luminescence Vapochromism of Tetranuclear AuI‒CuIClusters","Organometallics","2013","32","15","4061","","10.1021/om301100v","","","0.71073","MoKα","","0.055","0.04","","","0.1064","0.1128","","","","","","0.92","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080904","14.9267","0.0009","16.8107","0.0011","17.3211","0.0011","117.475","0.001","110.611","0.001","93.073","0.001","3485.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H65 Au3 Cl3 Cu F6 O3 P4 -","- C59 H65 Au3 Cl3 Cu F6 O3 P4 -","- C118 H130 Au6 Cl6 Cu2 F12 O6 P8 -","2","1","","Shakirova, Julia R.; Grachova, Elena V.; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Haukka, Matti; Pakkanen, Tapani A.; Koshevoy, Igor O.","Toward Luminescence Vapochromism of Tetranuclear AuI‒CuIClusters","Organometallics","2013","32","15","4061","","10.1021/om301100v","","","0.71073","MoKα","","0.0675","0.0593","","","0.1786","0.1867","","","","","","1.057","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080905","11.6977","0.0005","21.4438","0.0009","29.1247","0.0012","90","","98.588","0.001","90","","7223.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H68 Au3 Cu F6 O4 P4 -","- C83 H68 Au3 Cu F6 O4 P4 -","- C332 H272 Au12 Cu4 F24 O16 P16 -","4","1","","Shakirova, Julia R.; Grachova, Elena V.; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Haukka, Matti; Pakkanen, Tapani A.; Koshevoy, Igor O.","Toward Luminescence Vapochromism of Tetranuclear AuI‒CuIClusters","Organometallics","2013","32","15","4061","","10.1021/om301100v","","","0.71073","MoKα","","0.078","0.0347","","","0.0525","0.0581","","","","","","0.745","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080906","21.3278","0.0005","14.3896","0.0004","25.1547","0.0007","90","","112.14","0.001","90","","7150.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85 H70 Au3 Cl Cu O4 P3 -","- C85 H70 Au3 Cl Cu O4 P3 -","- C340 H280 Au12 Cl4 Cu4 O16 P12 -","4","1","","Shakirova, Julia R.; Grachova, Elena V.; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Haukka, Matti; Pakkanen, Tapani A.; Koshevoy, Igor O.","Toward Luminescence Vapochromism of Tetranuclear AuI‒CuIClusters","Organometallics","2013","32","15","4061","","10.1021/om301100v","","","0.71073","MoKα","","0.1052","0.0444","","","0.0817","0.1011","","","","","","1.002","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080907","21.461","0.0015","14.7834","0.0009","25.4063","0.0016","90","","112.321","0.001","90","","7456.6","0.8","210","2","210","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85 H70 Au3 Br Cu O4 P3 -","- C85 H70 Au3 Br Cu O4 P3 -","- C340 H280 Au12 Br4 Cu4 O16 P12 -","4","1","","Shakirova, Julia R.; Grachova, Elena V.; Melnikov, Alexei S.; Gurzhiy, Vladislav V.; Tunik, Sergey P.; Haukka, Matti; Pakkanen, Tapani A.; Koshevoy, Igor O.","Toward Luminescence Vapochromism of Tetranuclear AuI‒CuIClusters","Organometallics","2013","32","15","4061","","10.1021/om301100v","","","0.71073","MoKα","","0.0925","0.0438","","","0.1026","0.1193","","","","","","0.862","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080908","16.799","0.004","9.713","0.002","23.059","0.006","90","","90.016","0.003","90","","3762.5","1.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 O Si4 -","- C40 H42 O Si4 -","- C160 H168 O4 Si16 -","4","0.5","","Sharma, Hemant K.; Arias-Ugarte, Renzo; Tomlinson, David; Gappa, Rie; Metta-Maga Alejandro J.; Ito, Haruhiko; Pannell, Keith H.","(Me3N)Mo(CO)5-Catalyzed Reduction of DMF by Disiloxane and Disilane Moieties: Fate of the Silicon-Containing Fragments","Organometallics","2013","32","14","3788","","10.1021/om301206c","","","0.71073","MoKα","","0.2202","0.058","","","0.1309","0.189","","","","","","0.694","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080909","8.92","0.003","9.541","0.003","13.285","0.005","86.017","0.006","75.923","0.006","62.423","0.005","970.9","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H42 O3 Si4 -","- C40 H42 O3 Si4 -","- C40 H42 O3 Si4 -","1","0.5","","Sharma, Hemant K.; Arias-Ugarte, Renzo; Tomlinson, David; Gappa, Rie; Metta-Maga Alejandro J.; Ito, Haruhiko; Pannell, Keith H.","(Me3N)Mo(CO)5-Catalyzed Reduction of DMF by Disiloxane and Disilane Moieties: Fate of the Silicon-Containing Fragments","Organometallics","2013","32","14","3788","","10.1021/om301206c","","","0.71073","MoKα","","0.0962","0.0562","","","0.1432","0.1711","","","","","","0.871","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080910","9","0.005","11.516","0.006","19.784","0.011","97.966","0.01","97.355","0.01","94.346","0.009","2004.8","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 Ge2 O3 Si2 -","- C40 H42 Ge2 O3 Si2 -","- C80 H84 Ge4 O6 Si4 -","2","1","","Sharma, Hemant K.; Arias-Ugarte, Renzo; Tomlinson, David; Gappa, Rie; Metta-Maga Alejandro J.; Ito, Haruhiko; Pannell, Keith H.","(Me3N)Mo(CO)5-Catalyzed Reduction of DMF by Disiloxane and Disilane Moieties: Fate of the Silicon-Containing Fragments","Organometallics","2013","32","14","3788","","10.1021/om301206c","","","0.71073","MoKα","","0.1217","0.0501","","","0.1184","0.151","","","","","","0.733","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080911","6.4655","0.0004","19.8772","0.0012","10.4965","0.0006","90","","102.694","0.003","90","","1316","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Fe O5 -","- C13 H14 Fe O5 -","- C52 H56 Fe4 O20 -","4","1","","Botov, Svetlana; Stamellou, Eleni; Romanski, Steffen; Guttentag, Miguel; Alberto, Roger; Neudörfl, Jörg-Martin; Yard, Benito; Schmalz, Hans-Günther","Synthesis and Performance of Acyloxy-diene-Fe(CO)3Complexes with Variable Chain Lengths as Enzyme-Triggered Carbon Monoxide-Releasing Molecules","Organometallics","2013","32","13","3587","","10.1021/om301233h","","","0.71073","MoKα","","0.061","0.0339","","","0.0707","0.0766","","","","","","0.989","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080912","8.494","0.0007","7.7356","0.0006","24.1713","0.0017","90","","107.372","0.004","90","","1515.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Fe O5 -","- C15 H18 Fe O5 -","- C60 H72 Fe4 O20 -","4","1","","Botov, Svetlana; Stamellou, Eleni; Romanski, Steffen; Guttentag, Miguel; Alberto, Roger; Neudörfl, Jörg-Martin; Yard, Benito; Schmalz, Hans-Günther","Synthesis and Performance of Acyloxy-diene-Fe(CO)3Complexes with Variable Chain Lengths as Enzyme-Triggered Carbon Monoxide-Releasing Molecules","Organometallics","2013","32","13","3587","","10.1021/om301233h","","","0.71073","MoKα","","0.069","0.0524","","","0.1212","0.1275","","","","","","1.137","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080913","16.569","0.006","31.944","0.005","15.811","0.002","90","","90.34","0.02","90","","8368","3","203.2","","203.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C38 H26 B F24 N O Si -","- C38 H26 B F24 N O Si -","- C304 H208 B8 F192 N8 O8 Si8 -","8","2","","Chandra Sheker Reddy, Anugu; Chen, Zhang; Hatanaka, Tohru; Minami, Tatsuya; Hatanaka, Yasuo","Synthesis of Silaoxazolinium Salts Bearing Weakly Coordinating Anions: Structures and Catalytic Activities in the Aldol Reaction","Organometallics","2013","32","13","3575","","10.1021/om400017f","","","0.7107","MoKα","","","0.0768","","","","0.249","","","","","","1.631","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080914","13.841","0.004","15.636","0.005","8.021","0.006","90","","90.04","0.04","90","","1735.9","1.5","203.2","","203.2","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C7 H26 B11 N O Si -","- C7 H26 B11 N O Si -","- C28 H104 B44 N4 O4 Si4 -","4","1","","Chandra Sheker Reddy, Anugu; Chen, Zhang; Hatanaka, Tohru; Minami, Tatsuya; Hatanaka, Yasuo","Synthesis of Silaoxazolinium Salts Bearing Weakly Coordinating Anions: Structures and Catalytic Activities in the Aldol Reaction","Organometallics","2013","32","13","3575","","10.1021/om400017f","","","0.7107","MoKα","","0.0629","0.0609","","","0.17","0.1722","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080915","9.957","0.004","24.184","0.005","10.577","0.005","90","","90.14","0.03","90","","2546.9","1.7","223.2","","223.2","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C42 H38 B F24 N O Si3 -","- C42 H38 B F24 N O Si3 -","- C84 H76 B2 F48 N2 O2 Si6 -","2","1","","Chandra Sheker Reddy, Anugu; Chen, Zhang; Hatanaka, Tohru; Minami, Tatsuya; Hatanaka, Yasuo","Synthesis of Silaoxazolinium Salts Bearing Weakly Coordinating Anions: Structures and Catalytic Activities in the Aldol Reaction","Organometallics","2013","32","13","3575","","10.1021/om400017f","","","0.71069","MoKα","","0.1155","0.068","","","0.1948","0.2143","","","","","","1.414","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080916","15.208","0.003","18.923","0.003","8.862","0.002","90","","90","","90","","2550.3","0.9","203.2","","203.2","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H38 B11 N O Si3 -","- C11 H38 B11 N O Si3 -","- C44 H152 B44 N4 O4 Si12 -","4","1","","Chandra Sheker Reddy, Anugu; Chen, Zhang; Hatanaka, Tohru; Minami, Tatsuya; Hatanaka, Yasuo","Synthesis of Silaoxazolinium Salts Bearing Weakly Coordinating Anions: Structures and Catalytic Activities in the Aldol Reaction","Organometallics","2013","32","13","3575","","10.1021/om400017f","","","0.7107","MoKα","","","0.0442","","","","0.1265","","","","","","1.252","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080917","11.36","0.004","19.563","0.007","22.094","0.008","90","","90","","90","","4910","3","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H21 Cl F6 N3 P Ru S -","- C22 H21 Cl F6 N3 P Ru S -","- C176 H168 Cl8 F48 N24 P8 Ru8 S8 -","8","1","","Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K.","Half-Sandwich Ruthenium(II) Complexes of Click Generated 1,2,3-Triazole Based Organosulfur/-selenium Ligands: Structural and Donor Site Dependent Catalytic Oxidation and Transfer Hydrogenation Aspects","Organometallics","2013","32","13","3595","","10.1021/om400057e","","","0.71073","MoKα","","0.0412","0.0342","","","0.0872","0.0907","","","","","","1.068","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080918","11.52","0.03","19.65","0.05","22.37","0.05","90","","90","","90","","5064","2","298","2","298","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H21 Cl F6 N3 P Ru Se -","- C22 H21 Cl F6 N3 P Ru Se -","- C176 H168 Cl8 F48 N24 P8 Ru8 Se8 -","8","1","","Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K.","Half-Sandwich Ruthenium(II) Complexes of Click Generated 1,2,3-Triazole Based Organosulfur/-selenium Ligands: Structural and Donor Site Dependent Catalytic Oxidation and Transfer Hydrogenation Aspects","Organometallics","2013","32","13","3595","","10.1021/om400057e","","","0.71073","MoKα","","0.0492","0.0341","","","0.081","0.0849","","","","","","0.979","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080919","10.875","0.003","13.808","0.004","17.351","0.005","90","","101.785","0.005","90","","2550.5","1.3","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cl F6 N3 O P Ru S -","- C21 H19 Cl F6 N3 O P Ru S -","- C84 H76 Cl4 F24 N12 O4 P4 Ru4 S4 -","4","1","","Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K.","Half-Sandwich Ruthenium(II) Complexes of Click Generated 1,2,3-Triazole Based Organosulfur/-selenium Ligands: Structural and Donor Site Dependent Catalytic Oxidation and Transfer Hydrogenation Aspects","Organometallics","2013","32","13","3595","","10.1021/om400057e","","","0.71073","MoKα","","0.035","0.032","","","0.0881","0.0899","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080920","10.871","0.002","13.809","0.003","17.395","0.003","90","","102.354","0.004","90","","2550.8","0.8","298","2","298","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cl F6 N3 O P Ru Se -","- C21 H19 Cl F6 N3 O P Ru Se -","- C84 H76 Cl4 F24 N12 O4 P4 Ru4 Se4 -","4","1","","Saleem, Fariha; Rao, Gyandshwar Kumar; Kumar, Arun; Mukherjee, Goutam; Singh, Ajai K.","Half-Sandwich Ruthenium(II) Complexes of Click Generated 1,2,3-Triazole Based Organosulfur/-selenium Ligands: Structural and Donor Site Dependent Catalytic Oxidation and Transfer Hydrogenation Aspects","Organometallics","2013","32","13","3595","","10.1021/om400057e","","","0.71073","MoKα","","0.0849","0.0616","","","0.1212","0.1301","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080921","21.4773","0.0004","32.3885","0.0006","16.0489","0.0006","90","","107.321","0.001","90","","10657.6","0.5","173","","173","","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H45 Cl3 F12 N6 P2 Ru2 -","- C33 H45 Cl3 F12.01 N6 P2 Ru2 -","- C264 H360 Cl24 F96.08 N48 P16 Ru16 -","8","1","","Reindl, Stefan A.; Pöthig, Alexander; Drees, Markus; Bechlars, Bettina; Herdtweck, Eberhardt; Herrmann, Wolfgang A.; Kühn, Fritz E.","Pyrazolato-Bridged Dinuclear Complexes of Ruthenium(II) and Rhodium(III) with N-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Electrochemical Properties","Organometallics","2013","32","15","4082","","10.1021/om400106f","","x-ray","0.71073","MoKα","","0.0541","0.041","","","0.1048","0.1096","","","","","","1.032","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080922","12.4308","0.0002","14.2124","0.0003","24.7579","0.0005","90","","90","","90","","4374.02","0.15","173","1","173","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl F12 N14 P2 Ru2 -","- C29 H39 Cl F12 N14 P2 Ru2 -","- C116 H156 Cl4 F48 N56 P8 Ru8 -","4","1","","Reindl, Stefan A.; Pöthig, Alexander; Drees, Markus; Bechlars, Bettina; Herdtweck, Eberhardt; Herrmann, Wolfgang A.; Kühn, Fritz E.","Pyrazolato-Bridged Dinuclear Complexes of Ruthenium(II) and Rhodium(III) with N-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Electrochemical Properties","Organometallics","2013","32","15","4082","","10.1021/om400106f","","","0.71073","MoKα","","0.0275","0.0241","","","0.0572","0.0589","","","","","","1.022","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080923","19.4408","0.0012","14.6358","0.0009","17.6206","0.0012","90","","114.909","0.002","90","","4547.2","0.5","123","1","123","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H47 Cl3 F12 N6 P2 Rh2 -","- C34 H47 Cl3 F12 N6 P2 Rh2 -","- C136 H188 Cl12 F48 N24 P8 Rh8 -","4","1","","Reindl, Stefan A.; Pöthig, Alexander; Drees, Markus; Bechlars, Bettina; Herdtweck, Eberhardt; Herrmann, Wolfgang A.; Kühn, Fritz E.","Pyrazolato-Bridged Dinuclear Complexes of Ruthenium(II) and Rhodium(III) with N-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Electrochemical Properties","Organometallics","2013","32","15","4082","","10.1021/om400106f","","","0.71073","MoKα","","0.046","0.0414","","","0.0978","0.1021","","","","","","1.058","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080924","24.8183","0.0012","8.8631","0.0004","22.7017","0.0011","90","","114.723","0.002","90","","4535.9","0.4","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H47 Cl3 F12 N6 P2 Rh2 -","- C33 H47 Cl3 F12 N6 P2 Rh2 -","- C132 H188 Cl12 F48 N24 P8 Rh8 -","4","0.5","","Reindl, Stefan A.; Pöthig, Alexander; Drees, Markus; Bechlars, Bettina; Herdtweck, Eberhardt; Herrmann, Wolfgang A.; Kühn, Fritz E.","Pyrazolato-Bridged Dinuclear Complexes of Ruthenium(II) and Rhodium(III) with N-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Electrochemical Properties","Organometallics","2013","32","15","4082","","10.1021/om400106f","","x-ray","0.71073","MoKα","","0.0295","0.0287","","","0.0835","0.0843","","","","","","1.091","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080925","9.3377","0.0003","18.079","0.0004","16.746","0.0005","90","","91.021","0.002","90","","2826.55","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H45 F5 P3 Rh -","- C24 H45 F5 P3 Rh -","- C96 H180 F20 P12 Rh4 -","4","1","","Raza, Anna Lena; Panetier, Julien A.; Teltewskoi, Michael; Macgregor, Stuart A.; Braun, Thomas","Rhodium(I) Silyl Complexes for C‒F Bond Activation Reactions of Aromatic Compounds: Experimental and Computational Studies","Organometallics","2013","32","14","3795","","10.1021/om400150p","","","0.71073","MoKα","","0.0273","0.0245","","","0.0639","0.0652","","","","","","1.027","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080926","9.2731","0.0011","24.259","0.003","17.762","0.002","90","","94.705","0.002","90","","3982.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","corannulene-bis(15-crown-5-ether)-rubidium) hexane solvate","","- C43 H57 O10 Rb -","- C43 H57 O10 Rb -","- C172 H228 O40 Rb4 -","4","1","","Spisak, Sarah N.; Sumner, Natalie J.; Zabula, Alexander V.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Tuning Binding of Rubidium Ions to Planar and Curved Negatively Charged π Surfaces","Organometallics","2013","32","14","3773","","10.1021/om4001617","","","0.71073","Mo-Kα","","0.0884","0.0582","","","0.1276","0.141","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080927","12.9571","0.0017","16.261","0.002","17.386","0.002","77.048","0.002","77.34","0.002","71.372","0.002","3339.5","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","corannulene-(dicyclohexano-18-crown-6-ether)-rubidium)","","- C80 H92 O12 Rb2 -","- C80 H92 O12 Rb2 -","- C160 H184 O24 Rb4 -","2","1","","Spisak, Sarah N.; Sumner, Natalie J.; Zabula, Alexander V.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Tuning Binding of Rubidium Ions to Planar and Curved Negatively Charged π Surfaces","Organometallics","2013","32","14","3773","","10.1021/om4001617","","","0.71073","Mo-Kα","","0.0721","0.0459","","","0.0975","0.1086","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080928","19.74","0.008","8.213","0.003","20.445","0.011","90","","118.73","0.004","90","","2907","2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","coronene-(18-crown-6-ether)-rubidium)","","- C36 H36 O6 Rb -","- C36 H36 O6 Rb -","- C144 H144 O24 Rb4 -","4","1","","Spisak, Sarah N.; Sumner, Natalie J.; Zabula, Alexander V.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Petrukhina, Marina A.","Tuning Binding of Rubidium Ions to Planar and Curved Negatively Charged π Surfaces","Organometallics","2013","32","14","3773","","10.1021/om4001617","","","0.71073","Mo-Kα","","0.1219","0.0953","","","0.2258","0.2392","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080929","10.4979","0.0005","11.4423","0.0005","21.5427","0.0008","74.93","0.003","88.535","0.003","67.908","0.002","2307.71","0.18","150","1","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19.5 H26 Cl F6 Ir N3 P -","- C19.5 H26 Cl F6 Ir N3 P -","- C78 H104 Cl4 F24 Ir4 N12 P4 -","4","2","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Primary Amine Functionalized N-Heterocyclic Carbene Complexes of Iridium: Synthesis, Structure, and Catalysis","Organometallics","2013","32","14","3808","","10.1021/om400180h","","","0.71073","MoKα","","0.0959","0.0577","","","0.1306","0.1512","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080930","10.0278","0.0006","11.2097","0.0008","13.6893","0.001","105.988","0.003","104.585","0.004","108.488","0.004","1302.24","0.17","150","2","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 F6 Ir N P2 -","- C27 H30 F6 Ir N P2 -","- C54 H60 F12 Ir2 N2 P4 -","2","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Primary Amine Functionalized N-Heterocyclic Carbene Complexes of Iridium: Synthesis, Structure, and Catalysis","Organometallics","2013","32","14","3808","","10.1021/om400180h","","","0.71073","MoKα","","0.1033","0.0561","","","0.1062","0.1267","","","","","","1.04","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080931","9.2564","0.0003","9.587","0.0003","13.6385","0.0006","107.41","0.002","91.275","0.002","111.138","0.002","1065.57","0.07","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C19 H26 Cl F6 Ir N3 P -","- C19 H26 Cl F6 Ir N3 P -","- C38 H52 Cl2 F12 Ir2 N6 P2 -","2","1","","O, Wylie W. N.; Lough, Alan J.; Morris, Robert H.","Primary Amine Functionalized N-Heterocyclic Carbene Complexes of Iridium: Synthesis, Structure, and Catalysis","Organometallics","2013","32","14","3808","","10.1021/om400180h","","","0.71073","MoKα","","0.0436","0.0377","","","0.0874","0.0912","","","","","","1.079","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080932","13.641","0.005","15.473","0.006","13.537","0.005","90","","90.516","0.013","90","","2857.1","1.9","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H88 N12 O2 Yb2 -","- C56 H88 N12 O2 Yb2 -","- C112 H176 N24 O4 Yb4 -","2","0.5","","Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Synthesis of a Naphthalene-Bridged Bis(guanidinato)ytterbium(II) Complex and an Unexpected Pathway in Its Reaction with CH3CN,p-ClC6H4CH2CN, and Ph2CHCN","Organometallics","2013","32","13","3618","","10.1021/om400200f","","","0.71075","MoKα","","0.0796","0.0538","","","0.1433","0.1817","","","","","","1.099","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080933","9.7383","0.0003","13.1396","0.0003","17.0112","0.0005","71.884","0.002","77.899","0.002","70.021","0.002","1931.23","0.1","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H114 N16 O4 Yb2 -","- C72 H114 N16 O4 Yb2 -","- C72 H114 N16 O4 Yb2 -","1","0.5","","Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Synthesis of a Naphthalene-Bridged Bis(guanidinato)ytterbium(II) Complex and an Unexpected Pathway in Its Reaction with CH3CN,p-ClC6H4CH2CN, and Ph2CHCN","Organometallics","2013","32","13","3618","","10.1021/om400200f","","","0.71073","MoKα","","0.0381","0.0335","","","0.0859","0.0891","","","","","","1.051","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080934","14.372","0.004","21.107","0.005","16.541","0.004","90","","90.723","0.006","90","","5017","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H126 Cl4 N16 O2 Yb2 -","- C102 H126 Cl4 N16 O2 Yb2 -","- C204 H252 Cl8 N32 O4 Yb4 -","2","0.5","","Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Synthesis of a Naphthalene-Bridged Bis(guanidinato)ytterbium(II) Complex and an Unexpected Pathway in Its Reaction with CH3CN,p-ClC6H4CH2CN, and Ph2CHCN","Organometallics","2013","32","13","3618","","10.1021/om400200f","","","0.71075","MoKα","","0.0949","0.0707","","","0.2158","0.2455","","","","","","1.212","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080935","13.1512","0.0003","15.0219","0.0004","24.6389","0.0007","90","","97.087","0.003","90","","4830.4","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H70 N7 O3 Yb -","- C50 H70 N7 O3 Yb -","- C200 H280 N28 O12 Yb4 -","4","1","","Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Synthesis of a Naphthalene-Bridged Bis(guanidinato)ytterbium(II) Complex and an Unexpected Pathway in Its Reaction with CH3CN,p-ClC6H4CH2CN, and Ph2CHCN","Organometallics","2013","32","13","3618","","10.1021/om400200f","","","0.7107","MoKα","","0.0623","0.0449","","","0.1153","0.1209","","","","","","1.09","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080936","12.3622","0.0013","9.7428","0.0009","23.458","0.003","90","","92.106","0.003","90","","2823.4","0.5","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 S2 Si2 Sn -","- C26 H30 S2 Si2 Sn -","- C104 H120 S8 Si8 Sn4 -","4","1","","Tanaka, Daiki; Ohshita, Joji; Ooyama, Yousuke; Kobayashi, Norifumi; Higashimura, Hideyuki; Nakanishi, Takayuki; Hasegawa, Yasuchika","Synthesis, Optical Properties, and Crystal Structures of Dithienostannoles","Organometallics","2013","32","15","4136","","10.1021/om400213q","","","0.71075","MoKα","","","0.0317","","","","0.0706","","","","","","1.036","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080937","9.8322","0.0019","14.341","0.003","18.363","0.003","90","","93.38","0.005","90","","2584.7","0.8","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 S2 Sn -","- C28 H18 S2 Sn -","- C112 H72 S8 Sn4 -","4","1","","Tanaka, Daiki; Ohshita, Joji; Ooyama, Yousuke; Kobayashi, Norifumi; Higashimura, Hideyuki; Nakanishi, Takayuki; Hasegawa, Yasuchika","Synthesis, Optical Properties, and Crystal Structures of Dithienostannoles","Organometallics","2013","32","15","4136","","10.1021/om400213q","","","0.71075","MoKα","","","0.0781","","","","0.2567","","","","","","1.058","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080938","10.8864","0.0005","14.8347","0.0007","16.8177","0.0008","90","","94.269","0.002","90","","2708.5","0.2","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 F6 Fe N3 O2 P2 Sb -","- C19 H34 F6 Fe N3 O2 P2 Sb -","- C76 H136 F24 Fe4 N12 O8 P8 Sb4 -","4","1","","Bichler, Bernhard; Holzhacker, Christian; Stöger, Berthold; Puchberger, Michael; Veiros, Luis F.; Kirchner, Karl","Heterolytic Cleavage of Dihydrogen by an Iron(II) PNP Pincer Complex via Metal‒Ligand Cooperation","Organometallics","2013","32","15","4114","","10.1021/om400241x","","x-ray","0.71073","MoKα","","0.0734","0.0501","","","0.0609","0.0616","","","","3.42","3.42","2.87","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4080939","9.33","0.006","14.762","0.009","18.911","0.012","90.517","0.014","93.27","0.02","93.48","0.02","2595","3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H35 Cl2 Fe N3 O2 P2 -","- C20 H35 Cl2 Fe N3 O2 P2 -","- C80 H140 Cl8 Fe4 N12 O8 P8 -","4","2","","Bichler, Bernhard; Holzhacker, Christian; Stöger, Berthold; Puchberger, Michael; Veiros, Luis F.; Kirchner, Karl","Heterolytic Cleavage of Dihydrogen by an Iron(II) PNP Pincer Complex via Metal‒Ligand Cooperation","Organometallics","2013","32","15","4114","","10.1021/om400241x","","x-ray","0.71073","MoKα","","0.0566","0.0422","","","0.0513","0.0522","","","","2.9","2.9","2.64","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080940","9.5719","0.001","11.2741","0.0012","23.046","0.002","87.796","0.003","88.292","0.004","89.9","0.004","2484.1","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H81 F4 P2 Pd -","- C53 H81 F4 P2 Pd -","- C106 H162 F8 P4 Pd2 -","2","1","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.0579","0.0357","","","0.075","0.0837","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080941","18.0191","0.0009","9.5138","0.0005","20.8353","0.0011","90","","91.319","0.0018","90","","3570.9","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H60 F8 P4 Pd2 -","- C83 H60 F8 P4 Pd2 -","- C166 H120 F16 P8 Pd4 -","2","0.5","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.0437","0.036","","","0.0788","0.0832","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4080942","12.9144","0.0002","18.9247","0.0004","16.197","0.0003","90","","90.156","0.001","90","","3958.55","0.13","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C99 H72 F8 P4 Pd2 -","- C99 H64 F8 P4 Pd2 -","- C198 H128 F16 P8 Pd4 -","2","0.5","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.049","0.0363","","","0.0724","0.0795","","","","","","1.097","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080943","11.0873","0.0002","18.9766","0.0004","20.1435","0.0004","90","","90","","90","","4238.18","0.14","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H72 F4 Ni P2 -","- C44 H72 F4 Ni P2 -","- C176 H288 F16 Ni4 P8 -","4","1","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.0249","0.0224","","","0.0506","0.0516","","","","","","1.022","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080944","16.9939","0.0003","19.829","0.0004","20.2081","0.0005","90","","90","","90","","6809.6","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H30 F8 Ni P2 -","- C40 H30 F8 Ni P2 -","- C320 H240 F64 Ni8 P16 -","8","1","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.0569","0.0419","","","0.0955","0.1044","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080945","19.442","0.005","15.58","0.004","24.21","0.006","90","","90","","90","","7333","3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H66 F4 Ni P2 -","- C38 H66 F4 Ni P2 -","- C304 H528 F32 Ni8 P16 -","8","1","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.245","0.0923","","","0.1763","0.2468","","","","","","0.934","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080946","12.04","0.0012","22.7606","0.0018","13.3116","0.0013","90","","110.433","0.002","90","","3418.4","0.6","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 F3 I P2 Pd -","- C38 H30 F3 I P2 Pd -","- C152 H120 F12 I4 P8 Pd4 -","4","1","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.1727","0.0746","","","0.1186","0.1516","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080947","15.8926","0.0008","12.9133","0.0006","19.3808","0.0012","90","","95.585","0.003","90","","3958.6","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H66 B F7 P2 Pd -","- C38 H66 B F7 P2 Pd -","- C152 H264 B4 F28 P8 Pd4 -","4","1","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.1014","0.0518","","","0.1171","0.1532","","","","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080948","11.8512","0.0007","13.2993","0.0007","22.5605","0.0013","83.157","0.002","76.718","0.001","88.021","0.001","3436","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C143 H166 B2 F38 N2 P4 Pd2 -","- C143 H158 B2 F38 N2 P4 Pd2 -","- C143 H158 B2 F38 N2 P4 Pd2 -","1","0.5","","Ohashi, Masato; Shibata, Mitsutoshi; Saijo, Hiroki; Kambara, Tadashi; Ogoshi, Sensuke","Carbon‒Fluorine Bond Activation of Tetrafluoroethylene on Palladium(0) and Nickel(0): Heat or Lewis Acidic Additive Promoted Oxidative Addition","Organometallics","2013","32","13","3631","","10.1021/om400255t","","","0.71075","MoKα","","0.0548","0.0422","","","0.0997","0.1078","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4080949","10.1993","0.0002","12.3405","0.0003","15.3944","0.0011","106.757","0.007","96.156","0.007","91.899","0.007","1840.45","0.16","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H56 N2 Pd -","- C43 H56 N2 Pd -","- C86 H112 N4 Pd2 -","2","1","","Bielinski, Elizabeth A.; Dai, Wei; Guard, Louise M.; Hazari, Nilay; Takase, Michael K.","Synthesis, Properties, and Reactivity of Palladium and Nickel NHC Complexes Supported by Combinations of Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","15","4025","","10.1021/om4002632","","","1.54187","CuKα","","0.0602","0.0524","","","0.1279","0.139","","","","","","1.106","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080950","9.5747","0.0005","16.8411","0.0007","19.8857","0.0014","90","","100.758","0.007","90","","3150.2","0.3","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 N2 Ni -","- C36 H48 N2 Ni -","- C144 H192 N8 Ni4 -","4","1","","Bielinski, Elizabeth A.; Dai, Wei; Guard, Louise M.; Hazari, Nilay; Takase, Michael K.","Synthesis, Properties, and Reactivity of Palladium and Nickel NHC Complexes Supported by Combinations of Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","15","4025","","10.1021/om4002632","","","0.71075","MoKα","","0.0676","0.0557","","","0.1169","0.1235","","","","","","1.05","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080951","19.3184","0.0014","11.4107","0.0006","16.9293","0.0007","90","","97.947","0.007","90","","3696","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H54 N2 O Pd -","- C41 H54 N2 O Pd -","- C164 H216 N8 O4 Pd4 -","4","1","","Bielinski, Elizabeth A.; Dai, Wei; Guard, Louise M.; Hazari, Nilay; Takase, Michael K.","Synthesis, Properties, and Reactivity of Palladium and Nickel NHC Complexes Supported by Combinations of Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","15","4025","","10.1021/om4002632","","","0.71075","MoKα","","0.0517","0.0411","","","0.0869","0.0911","","","","","","1.066","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080952","18.8675","0.0018","11.5522","0.0012","17.1017","0.0014","90","","96.156","0.007","90","","3706","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 N2 Ni -","- C44 H54 N2 Ni -","- C176 H216 N8 Ni4 -","4","1","","Bielinski, Elizabeth A.; Dai, Wei; Guard, Louise M.; Hazari, Nilay; Takase, Michael K.","Synthesis, Properties, and Reactivity of Palladium and Nickel NHC Complexes Supported by Combinations of Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","15","4025","","10.1021/om4002632","","","0.71075","MoKα","","0.0461","0.0388","","","0.1002","0.1047","","","","","","1.036","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080953","9.874","0.003","19.308","0.004","17.316","0.003","90","","105.32","0.03","90","","3183.9","1.4","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 Cl N2 Pd -","- C36 H43 Cl N2 Pd -","- C144 H172 Cl4 N8 Pd4 -","4","1","","Bielinski, Elizabeth A.; Dai, Wei; Guard, Louise M.; Hazari, Nilay; Takase, Michael K.","Synthesis, Properties, and Reactivity of Palladium and Nickel NHC Complexes Supported by Combinations of Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","15","4025","","10.1021/om4002632","","","0.71075","MoKα","","0.052","0.0392","","","0.0768","0.0809","","","","","","1.131","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080954","10.651","0.0007","19.7236","0.0013","17.6747","0.0013","90","","101.956","0.008","90","","3632.5","0.4","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 N2 Pd -","- C40 H50 N2 Pd -","- C160 H200 N8 Pd4 -","4","1","","Bielinski, Elizabeth A.; Dai, Wei; Guard, Louise M.; Hazari, Nilay; Takase, Michael K.","Synthesis, Properties, and Reactivity of Palladium and Nickel NHC Complexes Supported by Combinations of Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","15","4025","","10.1021/om4002632","","","0.71075","MoKα","","","0.0579","","","","0.105","","","","","","1.105","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080955","9.9773","0.0002","10.0536","0.0002","19.3006","0.0014","88.003","0.006","85.385","0.006","69.369","0.005","1805.92","0.15","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H50 N2 Pd -","- C45 H50 N2 Pd -","- C90 H100 N4 Pd2 -","2","1","","Bielinski, Elizabeth A.; Dai, Wei; Guard, Louise M.; Hazari, Nilay; Takase, Michael K.","Synthesis, Properties, and Reactivity of Palladium and Nickel NHC Complexes Supported by Combinations of Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","15","4025","","10.1021/om4002632","","","1.54187","CuKα","","0.053","0.0494","","","0.1315","0.1367","","","","","","1.131","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080956","36.331","0.005","13.045","0.005","25.413","0.005","90","0.005","98.205","0.005","90","0.005","11921","5","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","iiia0173_0m","iiia0173_0m","","- C64 H55 B F24 Ir P -","- C64 H55 B F24 Ir P -","- C512 H440 B8 F192 Ir8 P8 -","8","1","","O’Connor, Abby R.; Kaminsky, Werner; Chan, Benny C.; Heinekey, D. M.; Goldberg, Karen I.","Synthesis and Characterization of Iridium(I) and Iridium(III) Complexes Containing Dialkylbiphenylphosphines","Organometallics","2013","32","14","4016","","10.1021/om400266d","","x-ray","0.71073","MoKα","","0.0497","0.0414","","","0.1033","0.1109","","","","","","1.137","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080957","13.0379","0.0011","17.2461","0.0015","25.855","0.002","90","","97.724","0.001","90","","5760.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H47 B F24 Ir P -","- C62 H47 B F24 Ir P -","- C248 H188 B4 F96 Ir4 P4 -","4","1","","O’Connor, Abby R.; Kaminsky, Werner; Chan, Benny C.; Heinekey, D. M.; Goldberg, Karen I.","Synthesis and Characterization of Iridium(I) and Iridium(III) Complexes Containing Dialkylbiphenylphosphines","Organometallics","2013","32","14","4016","","10.1021/om400266d","","","0.71073","","","0.0909","0.0428","","","0.0812","0.0948","","","","","","0.99","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080958","17.6548","0.0006","18.0941","0.0006","20.6767","0.0007","71.987","0.002","68.813","0.002","86.029","0.002","5850.1","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","iiia0271","iiia0271","","- C58.71 H51.28 B Cl0.29 F24 Ir P -","- C58.711 H51.2775 B Cl0.289 F24 Ir P -","- C234.844 H205.11 B4 Cl1.156 F96 Ir4 P4 -","4","2","","O’Connor, Abby R.; Kaminsky, Werner; Chan, Benny C.; Heinekey, D. M.; Goldberg, Karen I.","Synthesis and Characterization of Iridium(I) and Iridium(III) Complexes Containing Dialkylbiphenylphosphines","Organometallics","2013","32","14","4016","","10.1021/om400266d","","","0.71073","MoKα","","0.0698","0.0369","","","0.0723","0.0841","","","","","","1.015","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080959","11.7451","0.001","20.5523","0.0017","15.3201","0.0013","90","","112.209","0.002","90","","3423.7","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 Cl2 F3 Ir N3 O -","- C39 H27 Cl2 F3 Ir N3 O -","- C156 H108 Cl8 F12 Ir4 N12 O4 -","4","1","","Yang, Wei; Wang, Dawei; Song, Qijun; Zhang, Song; Wang, Quan; Ding, Yuqiang","Phosphorescent Cyclometalated Iridium(III) Complexes Based on Amidate Ancillary Ligands: Their Synthesis and Photophysical Properties","Organometallics","2013","32","15","4130","","10.1021/om400275m","","","0.71073","MoKα","","0.0355","0.0246","","","0.0531","0.0569","","","","","","1.007","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080960","10.3474","0.0014","18.389","0.002","18.205","0.003","90","","103.379","0.003","90","","3370","0.8","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Ir N3 O2 -","- C44 H32 Ir N3 O2 -","- C176 H128 Ir4 N12 O8 -","4","1","","Yang, Wei; Wang, Dawei; Song, Qijun; Zhang, Song; Wang, Quan; Ding, Yuqiang","Phosphorescent Cyclometalated Iridium(III) Complexes Based on Amidate Ancillary Ligands: Their Synthesis and Photophysical Properties","Organometallics","2013","32","15","4130","","10.1021/om400275m","","","0.71075","MoKα","","0.0611","0.0513","","","0.1255","0.1335","","","","","","1.007","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080961","10.4232","0.0007","18.365","0.0011","17.9154","0.0013","90","","102.164","0.002","90","","3352.4","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 Cl Ir N3 O -","- C43 H29 Cl Ir N3 O -","- C172 H116 Cl4 Ir4 N12 O4 -","4","1","","Yang, Wei; Wang, Dawei; Song, Qijun; Zhang, Song; Wang, Quan; Ding, Yuqiang","Phosphorescent Cyclometalated Iridium(III) Complexes Based on Amidate Ancillary Ligands: Their Synthesis and Photophysical Properties","Organometallics","2013","32","15","4130","","10.1021/om400275m","","","0.71075","MoKα","","0.0464","0.0404","","","0.0932","0.0979","","","","","","1.007","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080962","10.9071","0.0002","22.1098","0.0004","32.683","0.002","90","","90","","90","","7881.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H35 Cl N2 Rh -","- C28 H34.6667 Cl N2 Rh -","- C336 H416 Cl12 N24 Rh12 -","12","3","","Zhou, Yang; Liu, Qingjie; Lv, Weifeng; Pang, Qingyu; Ben, Rong; Qian, Yong; Zhao, Jing","Indazolin-s-ylidene‒N-Heterocyclic Carbene Complexes of Rhodium, Palladium, and Gold: Synthesis, Characterization, and Catalytic Hydration of Alkynes","Organometallics","2013","32","13","3753","","10.1021/om4002928","","","1.54178","CuKα","","0.1259","0.0949","","","0.2137","0.2484","","","","","","1.959","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080963","14.5718","0.0002","10.4782","0.0001","15.399","0.001","90","","106.016","0.008","90","","2259.95","0.18","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 Cl N2 Pd -","- C23 H30 Cl N2 Pd -","- C92 H120 Cl4 N8 Pd4 -","4","1","","Zhou, Yang; Liu, Qingjie; Lv, Weifeng; Pang, Qingyu; Ben, Rong; Qian, Yong; Zhao, Jing","Indazolin-s-ylidene‒N-Heterocyclic Carbene Complexes of Rhodium, Palladium, and Gold: Synthesis, Characterization, and Catalytic Hydration of Alkynes","Organometallics","2013","32","13","3753","","10.1021/om4002928","","","1.54187","CuKα","","0.039","0.0332","","","0.0934","0.0982","","","","","","1.078","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080964","10.2482","0.0002","12.3075","0.0003","16.3758","0.0011","90","","106.866","0.008","90","","1976.63","0.17","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Au Cl N2 -","- C20 H24 Au Cl N2 -","- C80 H96 Au4 Cl4 N8 -","4","1","","Zhou, Yang; Liu, Qingjie; Lv, Weifeng; Pang, Qingyu; Ben, Rong; Qian, Yong; Zhao, Jing","Indazolin-s-ylidene‒N-Heterocyclic Carbene Complexes of Rhodium, Palladium, and Gold: Synthesis, Characterization, and Catalytic Hydration of Alkynes","Organometallics","2013","32","13","3753","","10.1021/om4002928","","","1.54187","CuKα","","0.0664","0.0549","","","0.1492","0.1753","","","","","","1.429","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080965","23.104","0.004","12.656","0.002","40.687","0.008","90","","93.394","0.002","90","","11876","4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cp'4Lu4H4Me4","","","- C52 H100 Lu4 Si4 -","- C52 H100 Lu4 Si4 -","- C416 H800 Lu32 Si32 -","8","1","","Li, Tingting; Nishiura, Masayoshi; Cheng, Jianhua; Zhang, Wenxiong; Li, Yang; Hou, Zhaomin","Hydrogenolysis and Protonation of Polymetallic Lutetium Methylidene and Methyl Complexes","Organometallics","2013","32","15","4142","","10.1021/om4002999","","","0.71073","MoKα","","0.0436","0.0395","","","0.0823","0.0837","","","","","","1.207","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080966","15.345","0.008","27.761","0.014","19.677","0.01","90","","93.665","0.009","90","","8365","7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cp'4Lu4(CH2)3(CH3)][B(C6F5)4]","","","- C76 H93 B F20 Lu4 Si4 -","- C76 H84 B F20 Lu4 Si4 -","- C304 H336 B4 F80 Lu16 Si16 -","4","1","","Li, Tingting; Nishiura, Masayoshi; Cheng, Jianhua; Zhang, Wenxiong; Li, Yang; Hou, Zhaomin","Hydrogenolysis and Protonation of Polymetallic Lutetium Methylidene and Methyl Complexes","Organometallics","2013","32","15","4142","","10.1021/om4002999","","","0.71073","MoKα","","0.0621","0.0536","","","0.1418","0.1492","","","","","","1.038","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080967","23.07","0.0013","12.8629","0.0007","41.788","0.002","90","","92.655","0.001","90","","12387.2","1.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cp'4Lu4HMe7","","","- C55 H106 Lu4 Si4 -","- C55 H106 Lu4 Si4 -","- C440 H848 Lu32 Si32 -","8","1","","Li, Tingting; Nishiura, Masayoshi; Cheng, Jianhua; Zhang, Wenxiong; Li, Yang; Hou, Zhaomin","Hydrogenolysis and Protonation of Polymetallic Lutetium Methylidene and Methyl Complexes","Organometallics","2013","32","15","4142","","10.1021/om4002999","","","0.71073","MoKα","","0.0363","0.0261","","","0.0427","0.0447","","","","","","0.944","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080968","13.754","0.012","15.228","0.013","18.018","0.015","108.885","0.014","106.214","0.014","97.9","0.016","3319","5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Cp'LuCH3(BPh4)","","","- C38.5 H45.5 B Lu Si -","- C38.5 H45.5 B Lu Si -","- C154 H182 B4 Lu4 Si4 -","4","2","","Li, Tingting; Nishiura, Masayoshi; Cheng, Jianhua; Zhang, Wenxiong; Li, Yang; Hou, Zhaomin","Hydrogenolysis and Protonation of Polymetallic Lutetium Methylidene and Methyl Complexes","Organometallics","2013","32","15","4142","","10.1021/om4002999","","","0.71073","MoKα","","0.0406","0.0316","","","0.0768","0.0809","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080969","11.239","0.002","21.512","0.004","12.057","0.002","90","","116.91","0.03","90","","2599.4","1.1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Fe2 O6 P Se2 -","- C25 H19 Fe2 O6 P Se2 -","- C100 H76 Fe8 O24 P4 Se8 -","4","1","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71073","MoKα","","0.0577","0.0429","","","0.0981","0.1058","","","","","","1.041","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080970","8.2079","0.0016","10.782","0.002","13.742","0.003","99.86","0.03","95.2","0.03","100.43","0.03","1169.1","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Fe2 O7 P Se2 -","- C20 H17 Fe2 O7 P Se2 -","- C40 H34 Fe4 O14 P2 Se4 -","2","1","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71073","MoKα","","0.0516","0.0341","","","0.0683","0.0726","","","","","","1.024","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080971","24.751","0.004","24.751","0.004","8.7198","0.0017","90","","90","","120","","4626.2","1.4","113","2","113","2","","","","","","","","6","P -3","-P 3","147","","","","- C28 H28 Fe2 N2 O6 Se2 -","- C28 H28 Fe2 N2 O6 Se2 -","- C168 H168 Fe12 N12 O36 Se12 -","6","1","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71073","MoKα","","0.0857","0.0723","","","0.1859","0.196","","","","","","1.034","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080972","8.2595","0.0017","8.388","0.0017","17.727","0.004","103.56","0.03","90.45","0.03","102.23","0.03","1164.7","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Fe2 N2 O6 Se2 -","- C20 H16 Fe2 N2 O6 Se2 -","- C40 H32 Fe4 N4 O12 Se4 -","2","1","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71073","MoKα","","0.1576","0.094","","","0.1577","0.1877","","","","","","0.675","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080973","11.455","0.002","13.44","0.003","17.991","0.004","80.46","0.03","74.38","0.03","77.01","0.03","2582.9","1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C40.5 H35.5 Cl1.5 Fe4 N2 O12 P Se4 -","- C40.5 H35.5 Cl1.5 Fe4 N2 O12 P Se4 -","- C81 H71 Cl3 Fe8 N4 O24 P2 Se8 -","2","1","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71073","MoKα","","0.0978","0.0757","","","0.2087","0.2294","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4080974","12.121","0.002","16.884","0.003","12.873","0.003","90","","117.99","0.03","90","","2326.3","1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Fe2 O6 P Se2 -","- C21 H17 Fe2 O6 P Se2 -","- C84 H68 Fe8 O24 P4 Se8 -","4","1","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71073","MoKα","","0.033","0.0292","","","0.0676","0.0695","","","","","","1.069","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080975","11.396","0.001","14.984","0.0012","16.224","0.0015","90","","108.92","0.004","90","","2620.7","0.4","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 Fe2 O5 P S Se2 -","- C25 H19 Fe2 O5 P S Se2 -","- C100 H76 Fe8 O20 P4 S4 Se8 -","4","1","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71075","MoKα","","0.0328","0.027","","","0.0614","0.0623","","","","","","0.914","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080976","7.7126","0.0015","11.104","0.002","13.625","0.003","102.41","0.03","99.05","0.03","92.51","0.03","1121.8","0.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H15 Fe2 O5 P S Se2 -","- C19 H15 Fe2 O5 P S Se2 -","- C38 H30 Fe4 O10 P2 S2 Se4 -","2","1","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71073","MoKα","","0.0775","0.0627","","","0.1642","0.167","","","","","","1.072","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080977","31.221","0.003","6.931","0.001","29.758","0.003","90","","97.437","0.004","90","","6385.2","1.3","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8.5 H5 Cl Fe2 O7 S Se2 -","- C8.5 H5 Cl Fe2 O7 S Se2 -","- C136 H80 Cl16 Fe32 O112 S16 Se32 -","16","2","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71075","MoKα","","0.0689","0.0574","","","0.0857","0.0907","","","","","","1.21","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4080978","6.8642","0.0014","13.424","0.003","7.7612","0.0016","90","","110.67","0.03","90","","669.1","0.3","113","2","113","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Fe2 O7 Se2 -","- C8 H4 Fe2 O7 Se2 -","- C16 H8 Fe4 O14 Se4 -","2","0.5","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71073","MoKα","","0.0549","0.0445","","","0.0876","0.0896","","","","","","0.712","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080979","6.9473","0.0014","13.261","0.003","8.0038","0.0016","90","","108.6","0.03","90","","698.9","0.3","113","2","113","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H4 Fe2 O6 S Se2 -","- C8 H4 Fe2 O6 S Se2 -","- C16 H8 Fe4 O12 S2 Se4 -","2","0.5","","Song, Li-Cheng; Gai, Bin; Feng, Zhan-Heng; Du, Zong-Qiang; Xie, Zhao-Jun; Sun, Xiao-Jing; Song, Hai-Bin","Synthesis, Structures, and Some Properties of Diiron Oxadiselenolate (ODSe) and Thiodiselenolate (TDSe) Complexes as Models for the Active Site of [FeFe]-Hydrogenases","Organometallics","2013","32","13","3673","","10.1021/om400309j","","","0.71073","MoKα","","0.0271","0.0234","","","0.0609","0.0616","","","","","","1.054","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080980","9.4713","0.0015","7.4385","0.0012","10.8863","0.0017","90","","91.231","0.004","90","","766.8","0.2","223","2","223","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H21 Au N2 O2 -","- C15 H21 Au N2 O2 -","- C30 H42 Au2 N4 O4 -","2","0.5","","Guo, Shuai; Sivaram, Haresh; Yuan, Dan; Huynh, Han Vinh","Gold and Palladium Hetero-Bis-NHC Complexes: Characterizations, Correlations, and Ligand Redistributions","Organometallics","2013","32","13","3685","","10.1021/om400313r","","","0.71073","MoKα","","0.0376","0.0345","","","0.0887","0.0911","","","","","","1.075","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080981","10.3775","0.001","13.4807","0.0013","17.2073","0.0016","90","","98.989","0.003","90","","2377.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Au B F4 N4 -","- C24 H30 Au B F4 N4 -","- C96 H120 Au4 B4 F16 N16 -","4","1","","Guo, Shuai; Sivaram, Haresh; Yuan, Dan; Huynh, Han Vinh","Gold and Palladium Hetero-Bis-NHC Complexes: Characterizations, Correlations, and Ligand Redistributions","Organometallics","2013","32","13","3685","","10.1021/om400313r","","","0.71073","MoKα","","0.0507","0.0365","","","0.0731","0.0776","","","","","","1.014","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080982","11.364","0.0017","13.907","0.002","18.598","0.003","90","","90.016","0.004","90","","2939.2","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 Au B F4 N5 -","- C29 H33 Au B F4 N5 -","- C116 H132 Au4 B4 F16 N20 -","4","1","","Guo, Shuai; Sivaram, Haresh; Yuan, Dan; Huynh, Han Vinh","Gold and Palladium Hetero-Bis-NHC Complexes: Characterizations, Correlations, and Ligand Redistributions","Organometallics","2013","32","13","3685","","10.1021/om400313r","","","0.71073","MoKα","","0.043","0.038","","","0.0926","0.0952","","","","","","1.044","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080983","9.6056","0.0004","13.1707","0.0006","16.274","0.0008","90","","95.772","0.001","90","","2048.43","0.16","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C40 H54 Au F6 N4 P -","- C40 H54 Au F6 N4 P -","- C80 H108 Au2 F12 N8 P2 -","2","1","","Guo, Shuai; Sivaram, Haresh; Yuan, Dan; Huynh, Han Vinh","Gold and Palladium Hetero-Bis-NHC Complexes: Characterizations, Correlations, and Ligand Redistributions","Organometallics","2013","32","13","3685","","10.1021/om400313r","","","0.71073","MoKα","","0.0356","0.0327","","","0.0673","0.0685","","","","","","0.96","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080984","8.3264","0.0003","10.9307","0.0004","11.1756","0.0005","68.58","0.001","86.511","0.001","67.939","0.001","874.11","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Au B F4 N4 -","- C42 H36 Au B F4 N4 -","- C42 H36 Au B F4 N4 -","1","0.5","","Guo, Shuai; Sivaram, Haresh; Yuan, Dan; Huynh, Han Vinh","Gold and Palladium Hetero-Bis-NHC Complexes: Characterizations, Correlations, and Ligand Redistributions","Organometallics","2013","32","13","3685","","10.1021/om400313r","","","0.71073","MoKα","","0.0179","0.0179","","","0.0445","0.0445","","","","","","1.045","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080985","10.4294","0.0004","11.4264","0.0005","14.332","0.0006","89.662","0.001","84.851","0.001","79.556","0.001","1672.78","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 Au B Cl2 F4 N4 -","- C34 H36 Au B Cl2 F4 N4 -","- C68 H72 Au2 B2 Cl4 F8 N8 -","2","1","","Guo, Shuai; Sivaram, Haresh; Yuan, Dan; Huynh, Han Vinh","Gold and Palladium Hetero-Bis-NHC Complexes: Characterizations, Correlations, and Ligand Redistributions","Organometallics","2013","32","13","3685","","10.1021/om400313r","","","0.71073","MoKα","","0.0308","0.0282","","","0.0624","0.0634","","","","","","1.046","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080986","20.517","0.002","23.027","0.002","20.4338","0.0019","90","","90","","90","","9653.8","1.5","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C33 H49 Au2 B2 Cl8 F8 N7 -","- C33 H49 Au2 B2 Cl8 F8 N7 -","- C264 H392 Au16 B16 Cl64 F64 N56 -","8","1","","Guo, Shuai; Sivaram, Haresh; Yuan, Dan; Huynh, Han Vinh","Gold and Palladium Hetero-Bis-NHC Complexes: Characterizations, Correlations, and Ligand Redistributions","Organometallics","2013","32","13","3685","","10.1021/om400313r","","","0.71073","MoKα","","0.0878","0.0523","","","0.1093","0.1208","","","","","","1.029","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080987","9.13","0.002","23.803","0.006","10.329","0.002","90","","113.071","0.005","90","","2065.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Ge N2 S -","- C21 H28 Ge N2 S -","- C84 H112 Ge4 N8 S4 -","4","1","","Karwasara, Surendar; Sharma, Mahendra Kumar; Tripathi, Rupali; Nagendran, Selvarajan","Synthesis and Reactivity ofN-Aminotroponiminatogermylenepyrrole and Its Derivatives","Organometallics","2013","32","14","3830","","10.1021/om4003158","","","0.71073","MoKα","","0.0879","0.0679","","","0.1218","0.129","","","","","","1.179","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080988","11.2705","0.0012","13.013","0.0013","15.2747","0.0016","90","","109.395","0.002","90","","2113.1","0.4","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Ge N2 Se -","- C21 H28 Ge N2 Se -","- C84 H112 Ge4 N8 Se4 -","4","1","","Karwasara, Surendar; Sharma, Mahendra Kumar; Tripathi, Rupali; Nagendran, Selvarajan","Synthesis and Reactivity ofN-Aminotroponiminatogermylenepyrrole and Its Derivatives","Organometallics","2013","32","14","3830","","10.1021/om4003158","","","0.71073","MoKα","","0.0428","0.0316","","","0.0714","0.0751","","","","","","0.99","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080989","15.702","0.002","16.178","0.002","16.694","0.002","90","","108.941","0.002","90","","4011.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 Ge N3 S -","- C19 H27 Ge N3 S -","- C152 H216 Ge8 N24 S8 -","8","2","","Karwasara, Surendar; Sharma, Mahendra Kumar; Tripathi, Rupali; Nagendran, Selvarajan","Synthesis and Reactivity ofN-Aminotroponiminatogermylenepyrrole and Its Derivatives","Organometallics","2013","32","14","3830","","10.1021/om4003158","","","0.71073","MoKα","","0.0417","0.0379","","","0.1058","0.1084","","","","","","1.037","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080990","14.901","0.0018","13.4019","0.0016","23.847","0.003","90","","95.485","0.002","90","","4740.5","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Ge N2 O0.5 S2 -","- C23 H32 Ge N2 O0.5 S2 -","- C184 H256 Ge8 N16 O4 S16 -","8","1","","Karwasara, Surendar; Sharma, Mahendra Kumar; Tripathi, Rupali; Nagendran, Selvarajan","Synthesis and Reactivity ofN-Aminotroponiminatogermylenepyrrole and Its Derivatives","Organometallics","2013","32","14","3830","","10.1021/om4003158","","","0.71073","MoKα","","0.0338","0.0289","","","0.0741","0.0764","","","","","","1.032","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4080991","14.7692","0.0018","13.5853","0.0018","23.728","0.003","90","","95.214","0.003","90","","4741.2","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Ge N2 O0.5 S Se -","- C23 H32 Ge N2 O0.5 S Se -","- C184 H256 Ge8 N16 O4 S8 Se8 -","8","1","","Karwasara, Surendar; Sharma, Mahendra Kumar; Tripathi, Rupali; Nagendran, Selvarajan","Synthesis and Reactivity ofN-Aminotroponiminatogermylenepyrrole and Its Derivatives","Organometallics","2013","32","14","3830","","10.1021/om4003158","","","0.71073","MoKα","","0.0219","0.0205","","","0.0509","0.0515","","","","","","1.028","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4080992","12.8139","0.0011","12.8085","0.0012","14.3119","0.0013","90","","108.952","0.002","90","","2221.6","0.3","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H28 Ge N2 S Se -","- C21 H28 Ge N2 S Se -","- C84 H112 Ge4 N8 S4 Se4 -","4","1","","Karwasara, Surendar; Sharma, Mahendra Kumar; Tripathi, Rupali; Nagendran, Selvarajan","Synthesis and Reactivity ofN-Aminotroponiminatogermylenepyrrole and Its Derivatives","Organometallics","2013","32","14","3830","","10.1021/om4003158","","","0.71073","MoKα","","0.0561","0.042","","","0.1129","0.134","","","","","","1.158","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080993","9.043","0.003","9.873","0.003","13.788","0.004","110.415","0.005","93.409","0.005","94.023","0.005","1146.2","0.6","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Ge N2 Se2 -","- C21 H28 Ge N2 Se2 -","- C42 H56 Ge2 N4 Se4 -","2","1","","Karwasara, Surendar; Sharma, Mahendra Kumar; Tripathi, Rupali; Nagendran, Selvarajan","Synthesis and Reactivity ofN-Aminotroponiminatogermylenepyrrole and Its Derivatives","Organometallics","2013","32","14","3830","","10.1021/om4003158","","","0.71073","MoKα","","0.0943","0.0513","","","0.1011","0.1102","","","","","","0.797","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080994","12.0332","0.0003","13.233","0.0003","13.8121","0.0003","102.414","0.002","101.959","0.002","116.935","0.003","1793.94","0.1","115","1","115","1","","","","","","","","4","P -1","-P 1","2","","","","- C39 H53 N5 Ti -","- C39 H53 N5 Ti -","- C78 H106 N10 Ti2 -","2","1","","Schweizer, Peter D.; Wadepohl, Hubert; Gade, Lutz H.","Titanium-Catalyzed Hydrohydrazination of Carbodiimides","Organometallics","2013","32","13","3697","","10.1021/om400323p","","x-ray","1.5418","CuKα","","0.0453","0.043","","","0.1059","0.1073","","","","","","1.096","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080995","11.63073","0.00017","12.68153","0.00015","13.1652","0.0002","82.3061","0.0011","78.5139","0.0013","82.9484","0.0011","1876.53","0.05","115.01","0.1","115","1","","","","","","","","4","P -1","-P 1","2","","","","- C41 H54 N6 Ti -","- C41 H54 N6 Ti -","- C82 H108 N12 Ti2 -","2","1","","Schweizer, Peter D.; Wadepohl, Hubert; Gade, Lutz H.","Titanium-Catalyzed Hydrohydrazination of Carbodiimides","Organometallics","2013","32","13","3697","","10.1021/om400323p","","x-ray","1.5418","CuKα","","0.0331","0.0313","","","0.0844","0.0857","","","","","","1.07","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080996","12.04507","0.00012","7.06049","0.00008","20.7577","0.0003","90","","100.421","0.0012","90","","1736.2","0.04","115.01","0.1","115.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N4 -","- C20 H24 N4 -","- C80 H96 N16 -","4","1","","Schweizer, Peter D.; Wadepohl, Hubert; Gade, Lutz H.","Titanium-Catalyzed Hydrohydrazination of Carbodiimides","Organometallics","2013","32","13","3697","","10.1021/om400323p","","x-ray","1.5418","CuKα","","0.0348","0.0323","","","0.0824","0.0847","","","","","","1.038","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080997","17.1605","0.0007","10.9386","0.0003","15.6735","0.0006","90","","96.499","0.001","90","","2923.2","0.18","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 Br Cl6 Ir N2 -","- C23 H34 Br Cl6 Ir N2 -","- C92 H136 Br4 Cl24 Ir4 N8 -","4","1","","Kumaran, Elumalai; How, Kai Tong Sonia; Ganguly, Rakesh; Li, Yongxin; Leong, Weng Kee","Synthesis and Reactivity of Cationic Iridium Aminocarbenes Derived from Terminal Alkynes and 2-Aminopyridines","Organometallics","2013","32","15","4149","","10.1021/om400326c","","","0.71073","MoKα","","0.06","0.0518","","","0.1252","0.1287","","","","","","1.191","","","","has coordinates","178698","2020-10-21","18:00:00",""
"4080998","13.5702","0.0011","13.175","0.001","27.7649","0.0018","90","","90","","90","","4964","0.6","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H29 B Br Cl F4 Ir N2 -","- C21 H29 B Br Cl F4 Ir N2 -","- C168 H232 B8 Br8 Cl8 F32 Ir8 N16 -","8","1","","Kumaran, Elumalai; How, Kai Tong Sonia; Ganguly, Rakesh; Li, Yongxin; Leong, Weng Kee","Synthesis and Reactivity of Cationic Iridium Aminocarbenes Derived from Terminal Alkynes and 2-Aminopyridines","Organometallics","2013","32","15","4149","","10.1021/om400326c","","","0.71073","MoKα","","0.0711","0.0404","","","0.1067","0.1362","","","","","","1.125","","","","has coordinates,has disorder","178698","2020-10-21","18:00:00",""
"4080999","9.6911","0.0004","22.7375","0.0007","27.3923","0.0008","90","","95.046","0.001","90","","6012.5","0.4","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24.5 H27 Br Cl5 Ir N2 O -","- C24.5 H27 Br Cl5.005 Ir N2 O -","- C196 H216 Br8 Cl40.04 Ir8 N16 O8 -","8","2","","Kumaran, Elumalai; How, Kai Tong Sonia; Ganguly, Rakesh; Li, Yongxin; Leong, Weng Kee","Synthesis and Reactivity of Cationic Iridium Aminocarbenes Derived from Terminal Alkynes and 2-Aminopyridines","Organometallics","2013","32","15","4149","","10.1021/om400326c","","","0.71073","MoKα","","0.079","0.0497","","","0.1081","0.1287","","","","","","1.108","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081000","9.4513","0.0002","22.3781","0.0005","29.0848","0.0007","90","","92.597","0.001","90","","6145.2","0.2","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25.75 H29.5 Br Cl5.5 Ir N2 O -","- C25.75 H29.5 Br Cl5.5 Ir N2 O -","- C206 H236 Br8 Cl44 Ir8 N16 O8 -","8","2","","Kumaran, Elumalai; How, Kai Tong Sonia; Ganguly, Rakesh; Li, Yongxin; Leong, Weng Kee","Synthesis and Reactivity of Cationic Iridium Aminocarbenes Derived from Terminal Alkynes and 2-Aminopyridines","Organometallics","2013","32","15","4149","","10.1021/om400326c","","","0.71073","MoKα","","0.1105","0.0479","","","0.1019","0.1296","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081001","8.0767","0.0005","11.9633","0.0009","12.6252","0.0009","103.403","0.004","96.291","0.004","104.614","0.004","1129.83","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 Br Cl Ir N2 -","- C21 H29 Br Cl Ir N2 -","- C42 H58 Br2 Cl2 Ir2 N4 -","2","1","","Kumaran, Elumalai; How, Kai Tong Sonia; Ganguly, Rakesh; Li, Yongxin; Leong, Weng Kee","Synthesis and Reactivity of Cationic Iridium Aminocarbenes Derived from Terminal Alkynes and 2-Aminopyridines","Organometallics","2013","32","15","4149","","10.1021/om400326c","","","0.71073","MoKα","","0.05","0.0358","","","0.0886","0.1075","","","","","","1.127","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081002","15.1691","0.0004","9.8575","0.0002","16.1962","0.0004","90","","117.412","0.001","90","","2149.89","0.09","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Br Cl Ir N2 O -","- C23 H23 Br Cl Ir N2 O -","- C92 H92 Br4 Cl4 Ir4 N8 O4 -","4","1","","Kumaran, Elumalai; How, Kai Tong Sonia; Ganguly, Rakesh; Li, Yongxin; Leong, Weng Kee","Synthesis and Reactivity of Cationic Iridium Aminocarbenes Derived from Terminal Alkynes and 2-Aminopyridines","Organometallics","2013","32","15","4149","","10.1021/om400326c","","","0.71073","MoKα","","0.0387","0.0287","","","0.0769","0.0847","","","","","","1.131","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081003","29.9158","0.0015","8.2271","0.0004","14.8484","0.0007","90","","118.051","0.001","90","","3225.2","0.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 Br2 N4 O Pd -","- C11 H14 Br2 N4 O Pd -","- C88 H112 Br16 N32 O8 Pd8 -","8","1","","Lin, Yong-Chieh; Hsueh, Hsin-Hsueh; Kanne, Shanker; Chang, Li-Kuang; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsiang; Peng, Shie-Ming","Efficient PEPPSI-Themed Palladium N-Heterocyclic Carbene Precatalysts for the Mizoroki‒Heck Reaction","Organometallics","2013","32","14","3859","","10.1021/om4003297","","","0.71073","MoKα","","0.0459","0.0281","","","0.065","0.0724","","","","","","1.013","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081004","26.8943","0.0018","8.3333","0.0006","16.2697","0.0011","90","","117.612","0.002","90","","3231","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Br2 N4 O Pd -","- C12 H16 Br2 N4 O Pd -","- C96 H128 Br16 N32 O8 Pd8 -","8","1","","Lin, Yong-Chieh; Hsueh, Hsin-Hsueh; Kanne, Shanker; Chang, Li-Kuang; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsiang; Peng, Shie-Ming","Efficient PEPPSI-Themed Palladium N-Heterocyclic Carbene Precatalysts for the Mizoroki‒Heck Reaction","Organometallics","2013","32","14","3859","","10.1021/om4003297","","","0.71073","MoKα","","0.0364","0.0304","","","0.0644","0.0666","","","","","","1.064","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081005","9.2107","0.0007","14.2729","0.0011","18.7729","0.0014","79.152","0.002","89.096","0.002","86.277","0.002","2418.7","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H29 Br2 N4 O2.5 Pd S1.5 -","- C17 H29 Br2 N4 O2.5 Pd S1.5 -","- C68 H116 Br8 N16 O10 Pd4 S6 -","4","2","","Lin, Yong-Chieh; Hsueh, Hsin-Hsueh; Kanne, Shanker; Chang, Li-Kuang; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsiang; Peng, Shie-Ming","Efficient PEPPSI-Themed Palladium N-Heterocyclic Carbene Precatalysts for the Mizoroki‒Heck Reaction","Organometallics","2013","32","14","3859","","10.1021/om4003297","","","0.71073","MoKα","","0.1107","0.0674","","","0.1488","0.1685","","","","","","1.107","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081006","7.6666","0.0003","9.1375","0.0003","13.1036","0.0005","77.859","0.001","87.152","0.001","81.786","0.001","888.03","0.06","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Br2 N4 O Pd -","- C15 H16 Br2 N4 O Pd -","- C30 H32 Br4 N8 O2 Pd2 -","2","1","","Lin, Yong-Chieh; Hsueh, Hsin-Hsueh; Kanne, Shanker; Chang, Li-Kuang; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsiang; Peng, Shie-Ming","Efficient PEPPSI-Themed Palladium N-Heterocyclic Carbene Precatalysts for the Mizoroki‒Heck Reaction","Organometallics","2013","32","14","3859","","10.1021/om4003297","","","0.71073","MoKα","","0.0461","0.0372","","","0.1003","0.1063","","","","","","1.048","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081007","7.3864","0.0006","9.1748","0.0008","14.2132","0.0012","81.32","0.002","78.605","0.002","84.328","0.002","931.04","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Br2 N4 O Pd -","- C16 H18 Br2 N4 O Pd -","- C32 H36 Br4 N8 O2 Pd2 -","2","1","","Lin, Yong-Chieh; Hsueh, Hsin-Hsueh; Kanne, Shanker; Chang, Li-Kuang; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsiang; Peng, Shie-Ming","Efficient PEPPSI-Themed Palladium N-Heterocyclic Carbene Precatalysts for the Mizoroki‒Heck Reaction","Organometallics","2013","32","14","3859","","10.1021/om4003297","","","0.71073","MoKα","","0.0483","0.0399","","","0.0922","0.0983","","","","","","1.049","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081008","7.5314","0.0002","9.0723","0.0003","15.2464","0.0004","89.8955","0.0011","83.8681","0.0011","81.9608","0.001","1025.51","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 Br2 N4 O Pd -","- C18 H22 Br2 N4 O Pd -","- C36 H44 Br4 N8 O2 Pd2 -","2","1","","Lin, Yong-Chieh; Hsueh, Hsin-Hsueh; Kanne, Shanker; Chang, Li-Kuang; Liu, Fu-Chen; Lin, Ivan J. B.; Lee, Gene-Hsiang; Peng, Shie-Ming","Efficient PEPPSI-Themed Palladium N-Heterocyclic Carbene Precatalysts for the Mizoroki‒Heck Reaction","Organometallics","2013","32","14","3859","","10.1021/om4003297","","","0.71073","MoKα","","0.0479","0.0333","","","0.0821","0.0963","","","","","","1.055","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081009","9.783","0.005","10.379","0.005","19.01","0.009","91.185","0.008","99.162","0.012","102.473","0.011","1857.6","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H51 I N4 Si2 Zr -","- C33 H51 I N4 Si2 Zr -","- C66 H102 I2 N8 Si4 Zr2 -","2","1","","Gehrmann, Thorsten; Lloret-Fillol, Julio; Herrmann, Heike; Wadepohl, Hubert; Gade, Lutz H.","Zirconium Hydrazides as Metallanitrene Synthons: Release of Molecular N2from a Hydrazinediido Complex Induced by Oxidative N‒N Bond Cleavage","Organometallics","2013","32","14","3877","","10.1021/om400337g","","x-ray","0.71073","MoKα","","0.0378","0.0287","","","0.0673","0.0713","","","","","","1.042","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081010","9.582","0.005","10.413","0.005","20.309","0.01","86.117","0.006","87.819","0.006","77.45","0.013","1972.9","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H56 N4 S Si2 Zr -","- C39 H56 N4 S Si2 Zr -","- C78 H112 N8 S2 Si4 Zr2 -","2","1","","Gehrmann, Thorsten; Lloret-Fillol, Julio; Herrmann, Heike; Wadepohl, Hubert; Gade, Lutz H.","Zirconium Hydrazides as Metallanitrene Synthons: Release of Molecular N2from a Hydrazinediido Complex Induced by Oxidative N‒N Bond Cleavage","Organometallics","2013","32","14","3877","","10.1021/om400337g","","x-ray","0.71073","MoKα","","0.0795","0.0562","","","0.1412","0.158","","","","","","1.091","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081011","20.184","0.012","9.634","0.006","40.76","0.02","90","","90","","90","","7926","8","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C39 H56 N4 Se Si2 Zr -","- C39 H56 N4 Se Si2 Zr -","- C312 H448 N32 Se8 Si16 Zr8 -","8","2","","Gehrmann, Thorsten; Lloret-Fillol, Julio; Herrmann, Heike; Wadepohl, Hubert; Gade, Lutz H.","Zirconium Hydrazides as Metallanitrene Synthons: Release of Molecular N2from a Hydrazinediido Complex Induced by Oxidative N‒N Bond Cleavage","Organometallics","2013","32","14","3877","","10.1021/om400337g","","x-ray","0.71073","MoKα","","0.0596","0.0424","","","0.0773","0.0829","","","","","","1.04","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081012","19.481","0.016","11.449","0.01","20.757","0.017","90","","110.733","0.018","90","","4330","6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H61 N5 Si2 Zr -","- C45 H61 N5 Si2 Zr -","- C180 H244 N20 Si8 Zr4 -","4","1","","Gehrmann, Thorsten; Lloret-Fillol, Julio; Herrmann, Heike; Wadepohl, Hubert; Gade, Lutz H.","Zirconium Hydrazides as Metallanitrene Synthons: Release of Molecular N2from a Hydrazinediido Complex Induced by Oxidative N‒N Bond Cleavage","Organometallics","2013","32","14","3877","","10.1021/om400337g","","x-ray","0.71073","MoKα","","0.0787","0.044","","","0.0786","0.0891","","","","","","1.005","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081013","10.4274","0.0007","10.7564","0.0007","13.5613","0.0009","66.651","0.001","82.552","0.001","68.117","0.001","1295.58","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H41 N3 O Si2 Zr -","- C21 H41 N3 O Si2 Zr -","- C42 H82 N6 O2 Si4 Zr2 -","2","1","","Gehrmann, Thorsten; Lloret-Fillol, Julio; Herrmann, Heike; Wadepohl, Hubert; Gade, Lutz H.","Zirconium Hydrazides as Metallanitrene Synthons: Release of Molecular N2from a Hydrazinediido Complex Induced by Oxidative N‒N Bond Cleavage","Organometallics","2013","32","14","3877","","10.1021/om400337g","","x-ray","0.71073","MoKα","","0.0241","0.022","","","0.0595","0.0606","","","","","","1.03","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081014","10.839","0.0002","34.234","0.0007","15.44","0.0002","90","","106.5","0.001","90","","5493.27","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","IMesAuPyrPF6","","","- C26 H29 Au F6 N3 P -","- C26 H29 Au F6 N3 P -","- C208 H232 Au8 F48 N24 P8 -","8","2","","Orbisaglia, Serena; Jacques, Béatrice; Braunstein, Pierre; Hueber, Damien; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Cationic NHC Gold(III) Pyridine Complexes","Organometallics","2013","32","15","4153","","10.1021/om400338k","","x-ray","0.71073","MoKα","","0.0801","0.0403","","","0.0797","0.0879","","","","","","1.027","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081015","12.0503","0.0006","9.8114","0.0005","18.0796","0.0005","90","","102.019","0.003","90","","2090.7","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ItBuAuPyrPF6","","","- C16 H25 Au F6 N3 P -","- C16 H25 Au F6 N3 P -","- C64 H100 Au4 F24 N12 P4 -","4","1","","Orbisaglia, Serena; Jacques, Béatrice; Braunstein, Pierre; Hueber, Damien; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Cationic NHC Gold(III) Pyridine Complexes","Organometallics","2013","32","15","4153","","10.1021/om400338k","","x-ray","0.71073","MoKα","","0.0726","0.0405","","","0.0865","0.0953","","","","","","1.004","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081016","8.763","0.005","14.889","0.005","20.424","0.005","91.937","0.005","91.624","0.005","95.886","0.005","2647.8","1.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","ICyAuPyrPF6","","","- C23 H35 Au F6 N3 O P -","- C23 H35 Au F6 N3 O P -","- C92 H140 Au4 F24 N12 O4 P4 -","4","2","","Orbisaglia, Serena; Jacques, Béatrice; Braunstein, Pierre; Hueber, Damien; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Cationic NHC Gold(III) Pyridine Complexes","Organometallics","2013","32","15","4153","","10.1021/om400338k","","x-ray","0.71069","MoKα","","0.0635","0.043","","","0.0738","0.079","","","","","","1.041","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081017","11.033","0.005","32.937","0.005","42.565","0.005","90","","90","","90","","15468","8","173","2","173","2","","","","","","","","8","F 2 d d","F -2d 2","43","","(IPr)Au(Cl2)PyrPF6","","- C67 H88 Au2 Cl4 F12 N6 O P2 -","- C67 H88 Au2 Cl4 F12 N6 O P2 -","- C536 H704 Au16 Cl32 F96 N48 O8 P16 -","8","0.5","","Orbisaglia, Serena; Jacques, Béatrice; Braunstein, Pierre; Hueber, Damien; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Cationic NHC Gold(III) Pyridine Complexes","Organometallics","2013","32","15","4153","","10.1021/om400338k","","x-ray","0.71069","MoKα","","0.0257","0.0219","","","0.0471","0.0482","","","","","","1.067","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081018","12.3476","0.0002","9.5432","0.0002","25.643","0.0005","90","","101.492","0.001","90","","2961.08","0.1","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","IMesAuCl2PyrPF6","","","- C26 H29 Au Cl2 F6 N3 P -","- C26 H29 Au Cl2 F6 N3 P -","- C104 H116 Au4 Cl8 F24 N12 P4 -","4","1","","Orbisaglia, Serena; Jacques, Béatrice; Braunstein, Pierre; Hueber, Damien; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Cationic NHC Gold(III) Pyridine Complexes","Organometallics","2013","32","15","4153","","10.1021/om400338k","","x-ray","0.71073","MoKα","","0.038","0.028","","","0.0649","0.0682","","","","","","1.077","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081019","9.7908","0.0002","11.7323","0.0003","11.7921","0.0003","107.94","0.001","100.143","0.001","112.602","0.001","1120.84","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","ItBuAuCl2PyrPF6","","","- C16 H25 Au Cl2 F6 N3 P -","- C16 H25 Au Cl2 F6 N3 P -","- C32 H50 Au2 Cl4 F12 N6 P2 -","2","1","","Orbisaglia, Serena; Jacques, Béatrice; Braunstein, Pierre; Hueber, Damien; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Cationic NHC Gold(III) Pyridine Complexes","Organometallics","2013","32","15","4153","","10.1021/om400338k","","x-ray","0.71073","MoKα","","0.0325","0.0271","","","0.0606","0.0624","","","","","","1.063","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081020","10.5603","0.0003","15.4343","0.0004","17.2668","0.0005","90","","116.777","0.002","90","","2512.54","0.13","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","ICyAuCl2PyrPF6","","","- C20 H29 Au Cl2 F6 N3 P -","- C20 H29 Au Cl2 F6 N3 P -","- C80 H116 Au4 Cl8 F24 N12 P4 -","4","1","","Orbisaglia, Serena; Jacques, Béatrice; Braunstein, Pierre; Hueber, Damien; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Cationic NHC Gold(III) Pyridine Complexes","Organometallics","2013","32","15","4153","","10.1021/om400338k","","x-ray","0.71073","MoKα","","0.0699","0.0445","","","0.0945","0.1006","","","","","","1.077","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081021","18.828","0.0003","12.592","0.0002","24.225","0.0004","90","","92.759","0.001","90","","5736.66","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","IPrAuCl3","","","- C27 H36 Au Cl3 N2 -","- C27 H36 Au Cl3 N2 -","- C216 H288 Au8 Cl24 N16 -","8","2","","Orbisaglia, Serena; Jacques, Béatrice; Braunstein, Pierre; Hueber, Damien; Pale, Patrick; Blanc, Aurélien; de Frémont, Pierre","Synthesis, Characterization, and Catalytic Activity of Cationic NHC Gold(III) Pyridine Complexes","Organometallics","2013","32","15","4153","","10.1021/om400338k","","x-ray","0.71073","MoKα","","0.0583","0.0339","","","0.0659","0.0726","","","","","","1.029","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081022","12.357","0.005","12.357","0.005","9.11","0.005","90","0.005","90","0.005","120","0.005","1204.7","1","100","2","100","2","","","","","","","","6","P 32","P 32","145","","","","- C14 H18 Au N4 P S -","- C14 H18 Au N4 P S -","- C42 H54 Au3 N12 P3 S3 -","3","1","","García-Moreno, Elena; Gasc Sonia; Rodriguez-Yoldi, M Jesus; Cerrada, Elena; Laguna, Mariano","S-Propargylthiopyridine Phosphane Derivatives As Anticancer Agents: Characterization and Antitumor Activity","Organometallics","2013","32","13","3710","","10.1021/om400340a","","","0.71069","MoKα","","0.0725","0.072","","","0.1867","0.1873","","","","","","1.086","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081023","12.038","0.003","16.006","0.004","21.824","0.005","90","","90","","90","","4205.1","1.8","236","2","236","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C40 H74 N6 Zn2 -","- C40 H74 N6 Zn2 -","- C160 H296 N24 Zn8 -","4","0.5","","Li, Jie; Shi, Jingchao; Han, Hongfei; Guo, Zhiqiang; Tong, Hongbo; Wei, Xuehong; Liu, Diansheng; Lappert, Michael F.","Synthesis, Structures, and Reactivities of Guanidinatozinc Complexes and Their Catalytic Behavior in the Tishchenko Reaction","Organometallics","2013","32","13","3721","","10.1021/om400345f","","","0.71073","MoKα","","0.0557","0.0377","","","0.0936","0.1061","","","","","","1.026","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081024","21.694","0.005","11.438","0.003","27.912","0.007","90","","107.928","0.005","90","","6590","3","238","2","238","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C59 H106 N10 Zn2 -","- C59 H103.38 N10 Zn2 -","- C236 H413.52 N40 Zn8 -","4","1","","Li, Jie; Shi, Jingchao; Han, Hongfei; Guo, Zhiqiang; Tong, Hongbo; Wei, Xuehong; Liu, Diansheng; Lappert, Michael F.","Synthesis, Structures, and Reactivities of Guanidinatozinc Complexes and Their Catalytic Behavior in the Tishchenko Reaction","Organometallics","2013","32","13","3721","","10.1021/om400345f","","","0.71073","MoKα","","0.083","0.0464","","","0.0989","0.1116","","","","","","0.911","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081025","13.026","0.008","20.302","0.008","22.688","0.011","90","","90","","90","","6000","5","223","2","223","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C58 H82 N6 Zn2 -","- C58 H82 N6 Zn2 -","- C232 H328 N24 Zn8 -","4","0.5","","Li, Jie; Shi, Jingchao; Han, Hongfei; Guo, Zhiqiang; Tong, Hongbo; Wei, Xuehong; Liu, Diansheng; Lappert, Michael F.","Synthesis, Structures, and Reactivities of Guanidinatozinc Complexes and Their Catalytic Behavior in the Tishchenko Reaction","Organometallics","2013","32","13","3721","","10.1021/om400345f","","","0.71073","MoKα","","0.0605","0.0452","","","0.1237","0.1342","","","","","","0.919","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081026","14.512","0.004","15.413","0.005","23.343","0.007","100.411","0.005","93.212","0.005","115.763","0.004","4571","2","241","2","241","2","","","","","","","","4","P -1","-P 1","2","","","","- C95 H122 N10 Zn2 -","- C95 H122 N10 Zn2 -","- C190 H244 N20 Zn4 -","2","1","","Li, Jie; Shi, Jingchao; Han, Hongfei; Guo, Zhiqiang; Tong, Hongbo; Wei, Xuehong; Liu, Diansheng; Lappert, Michael F.","Synthesis, Structures, and Reactivities of Guanidinatozinc Complexes and Their Catalytic Behavior in the Tishchenko Reaction","Organometallics","2013","32","13","3721","","10.1021/om400345f","","","0.71073","MoKα","","0.1105","0.0599","","","0.1453","0.1634","","","","","","0.934","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081027","12.27","0.014","18.443","0.014","17.572","0.015","90","","95.08","0.02","90","","3961","6","236","2","236","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H74 N6 Zn2 -","- C38 H74 N6 Zn2 -","- C152 H296 N24 Zn8 -","4","0.5","","Li, Jie; Shi, Jingchao; Han, Hongfei; Guo, Zhiqiang; Tong, Hongbo; Wei, Xuehong; Liu, Diansheng; Lappert, Michael F.","Synthesis, Structures, and Reactivities of Guanidinatozinc Complexes and Their Catalytic Behavior in the Tishchenko Reaction","Organometallics","2013","32","13","3721","","10.1021/om400345f","","","0.71073","MoKα","","0.0443","0.0362","","","0.0927","0.0983","","","","","","1.035","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081028","10.6224","0.0019","10.0139","0.0019","34.027","0.007","90","","98.902","0.004","90","","3575.9","1.2","238","2","238","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H64 N6 Zn -","- C34 H64 N6 Zn -","- C136 H256 N24 Zn4 -","4","1","","Li, Jie; Shi, Jingchao; Han, Hongfei; Guo, Zhiqiang; Tong, Hongbo; Wei, Xuehong; Liu, Diansheng; Lappert, Michael F.","Synthesis, Structures, and Reactivities of Guanidinatozinc Complexes and Their Catalytic Behavior in the Tishchenko Reaction","Organometallics","2013","32","13","3721","","10.1021/om400345f","","","0.71073","MoKα","","0.0609","0.0443","","","0.106","0.1147","","","","","","1.096","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081029","10.8488","0.0005","11.4278","0.0004","16.6365","0.0004","90","","106.769","0.004","90","","1974.85","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl3 N5 O3 Re -","- C14 H15 Cl3 N5 O3 Re -","- C56 H60 Cl12 N20 O12 Re4 -","4","1","","Wright, Phillip J.; Affleck, Mark G.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano","Ligand-Induced Structural, Photophysical, and Electrochemical Variations in Tricarbonyl Rhenium(I) Tetrazolato Complexes","Organometallics","2013","32","13","3728","","10.1021/om400356n","","","0.71073","MoKα","","0.0331","0.0293","","","0.0583","0.0596","","","","","","1.176","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081030","8.656","0.0002","18.1418","0.0002","13.205","0.0004","90","","92.829","0.003","90","","2071.13","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br Cl3 N5 O3 Re -","- C14 H14 Br Cl3 N5 O3 Re -","- C56 H56 Br4 Cl12 N20 O12 Re4 -","4","1","","Wright, Phillip J.; Affleck, Mark G.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano","Ligand-Induced Structural, Photophysical, and Electrochemical Variations in Tricarbonyl Rhenium(I) Tetrazolato Complexes","Organometallics","2013","32","13","3728","","10.1021/om400356n","","","0.71073","MoKα","","0.04","0.0229","","","0.0388","0.0403","","","","","","0.921","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081031","20.5571","0.0005","12.1245","0.0002","16.5533","0.0004","90","","105.931","0.003","90","","3967.36","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H35 N13 O8 Re2 -","- C33 H31 N13 O8 Re2 -","- C132 H124 N52 O32 Re8 -","4","0.5","","Wright, Phillip J.; Affleck, Mark G.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano","Ligand-Induced Structural, Photophysical, and Electrochemical Variations in Tricarbonyl Rhenium(I) Tetrazolato Complexes","Organometallics","2013","32","13","3728","","10.1021/om400356n","","","0.71073","MoKα","","0.0234","0.018","","","0.042","0.0428","","","","","","0.971","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081032","10.7387","0.0002","16.7806","0.0002","14.5656","0.0002","90","","104.82","0.002","90","","2537.43","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Br2 Cl2 N4 O6 Re2 -","- C18 H16 Br2 Cl2 N4 O6 Re2 -","- C72 H64 Br8 Cl8 N16 O24 Re8 -","4","1","","Wright, Phillip J.; Affleck, Mark G.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano","Ligand-Induced Structural, Photophysical, and Electrochemical Variations in Tricarbonyl Rhenium(I) Tetrazolato Complexes","Organometallics","2013","32","13","3728","","10.1021/om400356n","","","0.71073","MoKα","","0.0267","0.0209","","","0.0404","0.0417","","","","","","1.079","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081033","22.8041","0.0013","14.1895","0.0006","19.9794","0.0009","90","","93.628","0.005","90","","6452","0.5","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H30 B Cl F4 N O P -","- C36.5 H30 B Cl F4 N O P -","- C292 H240 B8 Cl8 F32 N8 O8 P8 -","8","2","","Zhang, Chunhong; Zhang, Hong; Zhang, Laiying; Wen, Ting Bin; He, Xumin; Xia, Haiping","Mechanistic Study of Indolizine Heterocycle Formation by Ruthenium(II)-Assisted Three-Component Cross-Coupling/Cyclization","Organometallics","2013","32","13","3738","","10.1021/om400372w","","","0.71073","MoKα","","0.1462","0.0918","","","0.2","0.2286","","","","","","1.025","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081034","12.9636","0.0003","20.3607","0.0007","23.0029","0.0007","90","","94.751","0.003","90","","6050.7","0.3","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C65 H58 B0 Cl8 F0 N O P3 Ru -","- C65 H58 Cl8 N O P3 Ru -","- C260 H232 Cl32 N4 O4 P12 Ru4 -","4","1","","Zhang, Chunhong; Zhang, Hong; Zhang, Laiying; Wen, Ting Bin; He, Xumin; Xia, Haiping","Mechanistic Study of Indolizine Heterocycle Formation by Ruthenium(II)-Assisted Three-Component Cross-Coupling/Cyclization","Organometallics","2013","32","13","3738","","10.1021/om400372w","","","0.71073","MoKα","","0.0832","0.0573","","","0.143","0.1505","","","","","","1.05","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081035","11.383","0.0003","12.83","0.0005","15.3047","0.0004","83.862","0.003","80.728","0.002","87.617","0.003","2192.63","0.12","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H38 B Cl4 F4 N O0 P2 Ru -","- C45 H38 B Cl4 F4 N P2 Ru -","- C90 H76 B2 Cl8 F8 N2 P4 Ru2 -","2","1","","Zhang, Chunhong; Zhang, Hong; Zhang, Laiying; Wen, Ting Bin; He, Xumin; Xia, Haiping","Mechanistic Study of Indolizine Heterocycle Formation by Ruthenium(II)-Assisted Three-Component Cross-Coupling/Cyclization","Organometallics","2013","32","13","3738","","10.1021/om400372w","","","0.71073","MoKα","","0.05","0.0408","","","0.1199","0.1306","","","","","","0.953","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081036","23.699","0.003","10.6026","0.0013","11.8624","0.0015","90","","90","","90","","2980.7","0.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C28 H31 B Cl N4 O Rh -","- C28 H31 B Cl N4 O Rh -","- C112 H124 B4 Cl4 N16 O4 Rh4 -","4","0.5","","Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Monari, Magda; Mosconi, Edoardo; De Angelis, Filippo","Boron Functionalization and Unusual B‒C Bond Activation in Rhodium(III) and Iridium(III) Complexes with Diphenylbis(pyrazolylborate) Ligands (Ph2Bp)","Organometallics","2013","32","14","3895","","10.1021/om400375j","","","0.71073","MoKα","","0.1239","0.053","","","0.1327","0.1734","","","","","","0.95","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081037","10.1219","0.0005","9.4374","0.0005","14.7051","0.0007","90","","101.337","0.001","90","","1377.29","0.12","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H34 B N2 O Rh -","- C31 H34 B N2 O Rh -","- C62 H68 B2 N4 O2 Rh2 -","2","1","","Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Monari, Magda; Mosconi, Edoardo; De Angelis, Filippo","Boron Functionalization and Unusual B‒C Bond Activation in Rhodium(III) and Iridium(III) Complexes with Diphenylbis(pyrazolylborate) Ligands (Ph2Bp)","Organometallics","2013","32","14","3895","","10.1021/om400375j","","","0.71073","MoKα","","0.0338","0.0307","","","0.0809","0.0825","","","","","","1.022","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081038","12.462","0.002","11.013","0.002","17.388","0.003","90","","106.148","0.002","90","","2292.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 B Cl N2 O6 Rh -","- C19 H25 B Cl N2 O6 Rh -","- C76 H100 B4 Cl4 N8 O24 Rh4 -","4","1","","Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Monari, Magda; Mosconi, Edoardo; De Angelis, Filippo","Boron Functionalization and Unusual B‒C Bond Activation in Rhodium(III) and Iridium(III) Complexes with Diphenylbis(pyrazolylborate) Ligands (Ph2Bp)","Organometallics","2013","32","14","3895","","10.1021/om400375j","","","0.71073","MoKα","","0.0789","0.0488","","","0.1106","0.122","","","","","","1.033","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081039","8.6171","0.0005","27.2311","0.0016","12.2372","0.0007","90","","98.201","0.001","90","","2842.1","0.3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 B Cl Ir N4 O -","- C28 H33 B Cl Ir N4 O -","- C112 H132 B4 Cl4 Ir4 N16 O4 -","4","1","","Pettinari, Riccardo; Pettinari, Claudio; Marchetti, Fabio; Monari, Magda; Mosconi, Edoardo; De Angelis, Filippo","Boron Functionalization and Unusual B‒C Bond Activation in Rhodium(III) and Iridium(III) Complexes with Diphenylbis(pyrazolylborate) Ligands (Ph2Bp)","Organometallics","2013","32","14","3895","","10.1021/om400375j","","","0.71073","MoKα","","0.0677","0.0337","","","0.0667","0.0756","","","","","","0.908","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081040","16.3969","0.0004","14.5413","0.0003","13.3305","0.0002","90","","102.054","0.002","90","","3108.34","0.11","110","","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 Cl2 O P Ru -","- C12 H21 Cl2 O P Ru -","- C96 H168 Cl16 O8 P8 Ru8 -","8","2","","Knapp, Spring Melody M.; Sherbow, Tobias J.; Yelle, Robert B.; Juliette, J. Jerrick; Tyler, David R.","Catalytic Nitrile Hydration with [Ru(η6-p-cymene)Cl2(PR2R′)] Complexes: Secondary Coordination Sphere Effects with Phosphine Oxide and Phosphinite Ligands","Organometallics","2013","32","13","3744","","10.1021/om400380j","","x-ray","0.7107","MoKα","","0.0499","0.0397","","0.0926","0.0879","0.0926","","","","","","1.0162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081041","6.47519","0.00014","32.4129","0.0006","9.884","0.0003","90","","107.006","0.003","90","","1983.74","0.09","110","","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H28 Cl2 O P2 Ru -","- C15 H28 Cl2 O P2 Ru -","- C60 H112 Cl8 O4 P8 Ru4 -","4","1","","Knapp, Spring Melody M.; Sherbow, Tobias J.; Yelle, Robert B.; Juliette, J. Jerrick; Tyler, David R.","Catalytic Nitrile Hydration with [Ru(η6-p-cymene)Cl2(PR2R′)] Complexes: Secondary Coordination Sphere Effects with Phosphine Oxide and Phosphinite Ligands","Organometallics","2013","32","13","3744","","10.1021/om400380j","","x-ray","0.7107","MoKα","","0.0295","0.0285","","0.0678","0.0667","0.0678","","","","","","1.0103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081042","12.288","0.0017","23.051","0.003","19.0364","0.0019","90","","127.212","0.006","90","","4294.3","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H50 N2 Ni Sn2 -","- C49 H50 N2 Ni Sn2 -","- C196 H200 N8 Ni4 Sn8 -","4","1","","Doster, Meghan E.; Johnson, Samuel A.","Carbon‒Hydrogen Bond Stannylation and Alkylation Catalyzed by Nitrogen-Donor-Supported Nickel Complexes: Intermediates with Ni‒Sn Bonds and Catalytic Carbostannylation of Ethylene with Organostannanes","Organometallics","2013","32","15","4174","","10.1021/om4003889","","","0.71073","MoKα","","0.0505","0.0377","","","0.078","0.0917","","","","","","1.263","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081043","16.798","0.005","10.575","0.003","25.444","0.008","90","","90.052","0.004","90","","4520","2","150","2","150","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C49 H51 F5 N4 Ni Sn -","- C49 H51 F5 N4 Ni Sn -","- C196 H204 F20 N16 Ni4 Sn4 -","4","2","","Doster, Meghan E.; Johnson, Samuel A.","Carbon‒Hydrogen Bond Stannylation and Alkylation Catalyzed by Nitrogen-Donor-Supported Nickel Complexes: Intermediates with Ni‒Sn Bonds and Catalytic Carbostannylation of Ethylene with Organostannanes","Organometallics","2013","32","15","4174","","10.1021/om4003889","","","0.71073","MoKα","","0.0777","0.0694","","","0.1653","0.1704","","","","","","1.132","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081044","5.6282","0.0006","18.1085","0.0018","9.0735","0.0009","90","","100.92","0.002","90","","908.01","0.16","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 Pt -","- C23 H20 N2 Pt -","- C46 H40 N4 Pt2 -","2","1","","McKeown, Bradley A.; Gonzalez, Hector Emanuel; Michaelos, Thoe; Gunnoe, T. Brent; Cundari, Thomas R.; Crabtree, Robert H.; Sabat, Michal","Control of Olefin Hydroarylation Catalysis via a Sterically and Electronically Flexible Platinum(II) Catalyst Scaffold","Organometallics","2013","32","14","3903","","10.1021/om400390e","","","0.71073","MoKα","","0.0376","0.0324","","","0.0709","0.0732","","","","","","1.09","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081045","8.2151","0.0003","14.4433","0.0005","17.3348","0.0006","90","","95.574","0.001","90","","2047.1","0.13","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H48 N4 Pt2 -","- C50 H48 N4 Pt2 -","- C100 H96 N8 Pt4 -","2","0.5","","McKeown, Bradley A.; Gonzalez, Hector Emanuel; Michaelos, Thoe; Gunnoe, T. Brent; Cundari, Thomas R.; Crabtree, Robert H.; Sabat, Michal","Control of Olefin Hydroarylation Catalysis via a Sterically and Electronically Flexible Platinum(II) Catalyst Scaffold","Organometallics","2013","32","14","3903","","10.1021/om400390e","","","0.71073","MoKα","","0.0261","0.0235","","","0.0957","0.0999","","","","","","0.873","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081046","9.1014","0.0005","23.4725","0.0013","8.9432","0.0005","90","","90","","90","","1910.56","0.18","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H22 N2 Pt -","- C24 H22 N2 Pt -","- C96 H88 N8 Pt4 -","4","1","","McKeown, Bradley A.; Gonzalez, Hector Emanuel; Michaelos, Thoe; Gunnoe, T. Brent; Cundari, Thomas R.; Crabtree, Robert H.; Sabat, Michal","Control of Olefin Hydroarylation Catalysis via a Sterically and Electronically Flexible Platinum(II) Catalyst Scaffold","Organometallics","2013","32","14","3903","","10.1021/om400390e","","","0.71073","MoKα","","0.0548","0.0501","","","0.1229","0.1247","","","","","","1.565","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081047","25.455","0.005","16.5463","0.0018","29.806","0.003","90","","115.22","0.002","90","","11357","3","153","2","153","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C54 H37 B F24 N2 O Pt -","- C54 H37 B F24 N2 O Pt -","- C432 H296 B8 F192 N16 O8 Pt8 -","8","1","","McKeown, Bradley A.; Gonzalez, Hector Emanuel; Michaelos, Thoe; Gunnoe, T. Brent; Cundari, Thomas R.; Crabtree, Robert H.; Sabat, Michal","Control of Olefin Hydroarylation Catalysis via a Sterically and Electronically Flexible Platinum(II) Catalyst Scaffold","Organometallics","2013","32","14","3903","","10.1021/om400390e","","","0.71073","MoKα","","0.0621","0.0468","","","0.1339","0.1493","","","","","","1.042","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081048","13.4451","0.0007","17.6859","0.0009","23.002","0.001","92.993","0.002","103.474","0.002","92.475","0.003","5303.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C182 H48 Cl4 Co2 N2 P2 -","- C182.003 H48 Cl4 Co2 N2 P2 -","- C364.006 H96 Cl8 Co4 N4 P4 -","2","1","","Konarev, Dmitri V.; Troyanov, Sergey I.; Nakano, Yoshiaki; Ustimenko, Ksenya A.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Magnetic Coupling in the Fullerene Dimer {Co(Ph3P)(C6H5CN)}2(μ2-η2:η2-C60)2with Two Zerovalent Cobalt Atoms as Bridges","Organometallics","2013","32","15","4038","","10.1021/om400392c","","","0.87933","synchrotron","","0.0569","0.0549","","","0.137","0.1385","","","","","","1.007","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081049","27.8632","0.0017","8.309","0.0005","17.8477","0.0011","90","","111.37","0.001","90","","3847.9","0.4","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 Cl2 N Ti -","- C19 H25 Cl2 N Ti -","- C152 H200 Cl16 N8 Ti8 -","8","1","","Tao, Xin; Wu, Qiaolin; Huo, Hang; Gao, Wei; Mu, Ying","New Titanium(IV) Complexes with 2-Cyclopentadienylbenzylamido Ligands: Synthesis, Characterization, and Catalytic Properties for Ethylene Polymerization and Copolymerization with 1-Hexene","Organometallics","2013","32","15","4185","","10.1021/om4003945","","","0.71073","MoKα","","0.0368","0.0314","","","0.0848","0.0889","","","","","","1.051","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081050","14.9843","0.0011","8.5523","0.0007","17.6183","0.0013","90","","108.404","0.001","90","","2142.3","0.3","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 Cl2 N Ti -","- C22 H29 Cl2 N Ti -","- C88 H116 Cl8 N4 Ti4 -","4","1","","Tao, Xin; Wu, Qiaolin; Huo, Hang; Gao, Wei; Mu, Ying","New Titanium(IV) Complexes with 2-Cyclopentadienylbenzylamido Ligands: Synthesis, Characterization, and Catalytic Properties for Ethylene Polymerization and Copolymerization with 1-Hexene","Organometallics","2013","32","15","4185","","10.1021/om4003945","","","0.71073","MoKα","","0.0446","0.0355","","","0.087","0.0922","","","","","","1.042","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081051","16.0318","0.001","8.4255","0.0005","16.4358","0.001","90","","107.699","0.001","90","","2115","0.2","185","2","185","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl2 N Ti -","- C23 H25 Cl2 N Ti -","- C92 H100 Cl8 N4 Ti4 -","4","1","","Tao, Xin; Wu, Qiaolin; Huo, Hang; Gao, Wei; Mu, Ying","New Titanium(IV) Complexes with 2-Cyclopentadienylbenzylamido Ligands: Synthesis, Characterization, and Catalytic Properties for Ethylene Polymerization and Copolymerization with 1-Hexene","Organometallics","2013","32","15","4185","","10.1021/om4003945","","","0.71073","MoKα","","0.0396","0.0341","","","0.0867","0.0906","","","","","","1.048","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081052","16.9787","0.0004","17.1215","0.0004","17.9145","0.0004","109.763","0.002","92.606","0.002","118.253","0.002","4182.4","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C162 H198 N2 O6 Si6 U2 -","- C162 H198 N2 O6 Si6 U2 -","- C162 H198 N2 O6 Si6 U2 -","1","0.5","","Mansell, Stephen M.; Farnaby, Joy H.; Germeroth, Anne I.; Arnold, Polly L.","Thermally Stable Uranium Dinitrogen Complex with Siloxide Supporting Ligands","Organometallics","2013","32","15","4214","","10.1021/om4003957","","","0.71073","MoKα","","0.0821","0.0632","","","0.1387","0.1485","","","","","","1.089","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081053","38.9299","0.0014","18.1633","0.0003","29.0426","0.0009","90","","120.871","0.005","90","","17626.5","1.3","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C198 H234 N2 O6 Si6 U2 -","- C198 H234 N2 O6 Si6 U2 -","- C792 H936 N8 O24 Si24 U8 -","4","0.5","","Mansell, Stephen M.; Farnaby, Joy H.; Germeroth, Anne I.; Arnold, Polly L.","Thermally Stable Uranium Dinitrogen Complex with Siloxide Supporting Ligands","Organometallics","2013","32","15","4214","","10.1021/om4003957","","","0.71073","MoKα","","0.0789","0.0424","","","0.1051","0.1125","","","","","","0.966","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081054","29.2851","0.0019","17.6856","0.001","29.4728","0.0017","90","","95.943","0.006","90","","15182.6","1.6","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C162 H198 N2 O6 Si6 U2 -","- C162 H198 N2 O6 Si6 U2 -","- C648 H792 N8 O24 Si24 U8 -","4","1","","Mansell, Stephen M.; Farnaby, Joy H.; Germeroth, Anne I.; Arnold, Polly L.","Thermally Stable Uranium Dinitrogen Complex with Siloxide Supporting Ligands","Organometallics","2013","32","15","4214","","10.1021/om4003957","","","0.71073","MoKα","","0.3565","0.2573","","","0.5214","0.5687","","","","","","1.156","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081055","27.4437","0.0007","22.2208","0.0006","20.8071","0.0006","90","","95.759","0.002","90","","12624.6","0.6","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H87 N3 O Si7 U -","- C45 H87 N3 O Si7 U -","- C360 H696 N24 O8 Si56 U8 -","8","1","","Mansell, Stephen M.; Farnaby, Joy H.; Germeroth, Anne I.; Arnold, Polly L.","Thermally Stable Uranium Dinitrogen Complex with Siloxide Supporting Ligands","Organometallics","2013","32","15","4214","","10.1021/om4003957","","","0.71073","MoKα","","0.0946","0.0543","","","0.1071","0.1185","","","","","","1.005","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081056","16.1405","0.0004","17.105","0.0004","25.3526","0.0006","98.417","0.002","95.6393","0.0019","117.137","0.002","6052.6","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C130.27 H177.06 O4 Si4 U -","- C130.277 H177.055 O4 Si4 U -","- C260.554 H354.11 O8 Si8 U2 -","2","1","","Mansell, Stephen M.; Farnaby, Joy H.; Germeroth, Anne I.; Arnold, Polly L.","Thermally Stable Uranium Dinitrogen Complex with Siloxide Supporting Ligands","Organometallics","2013","32","15","4214","","10.1021/om4003957","","","0.71073","MoKα","","0.0699","0.0478","","","0.1044","0.1141","","","","","","1.057","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081057","11.0984","0.0005","12.1998","0.0004","17.7889","0.0008","90","","104.37","0.004","90","","2333.23","0.17","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 O Si -","- C27 H34 O Si -","- C108 H136 O4 Si4 -","4","0.5","","Mansell, Stephen M.; Farnaby, Joy H.; Germeroth, Anne I.; Arnold, Polly L.","Thermally Stable Uranium Dinitrogen Complex with Siloxide Supporting Ligands","Organometallics","2013","32","15","4214","","10.1021/om4003957","","","0.71073","MoKα","","0.1094","0.0778","","","0.1666","0.1815","","","","","","1.116","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081058","18.9326","0.0008","11.4614","0.0005","27.1739","0.0012","90","","92.846","0.001","90","","5889.3","0.4","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Cl2 N P Pt -","- C34 H32 Cl2 N P Pt -","- C272 H256 Cl16 N8 P8 Pt8 -","8","1","","Anderson, Craig M.; Crespo, Margarita; Kfoury, Nicole; Weinstein, Michael A.; Tanski, Joseph M.","Regioselective C‒H Activation Preceded by Csp2‒Csp3Reductive Elimination from Cyclometalated Platinum(IV) Complexes","Organometallics","2013","32","15","4199","","10.1021/om400398g","","","0.71073","MoKα","","0.0238","0.0189","","","0.0412","0.0424","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081059","10.9307","0.0005","11.0031","0.0005","12.4452","0.0006","79.229","0.001","76.549","0.001","79.896","0.001","1416.39","0.11","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H28 Cl2 N P Pt -","- C33 H28 Cl2 N P Pt -","- C66 H56 Cl4 N2 P2 Pt2 -","2","1","","Anderson, Craig M.; Crespo, Margarita; Kfoury, Nicole; Weinstein, Michael A.; Tanski, Joseph M.","Regioselective C‒H Activation Preceded by Csp2‒Csp3Reductive Elimination from Cyclometalated Platinum(IV) Complexes","Organometallics","2013","32","15","4199","","10.1021/om400398g","","","0.71073","MoKα","","0.0308","0.0246","","","0.0532","0.0555","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081060","13.8842","0.0006","15.7786","0.0007","26.5432","0.0011","90","","90","","90","","5814.9","0.4","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H33 Br N P Pt -","- C34 H33 Br N P Pt -","- C272 H264 Br8 N8 P8 Pt8 -","8","1","","Anderson, Craig M.; Crespo, Margarita; Kfoury, Nicole; Weinstein, Michael A.; Tanski, Joseph M.","Regioselective C‒H Activation Preceded by Csp2‒Csp3Reductive Elimination from Cyclometalated Platinum(IV) Complexes","Organometallics","2013","32","15","4199","","10.1021/om400398g","","","0.71073","MoKα","","0.0596","0.0292","","","0.0478","0.0556","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081061","9.9014","0.0005","8.7318","0.0005","31.9308","0.0017","90","","93.933","0.001","90","","2754.1","0.3","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Br N P Pt -","- C33 H29 Br N P Pt -","- C132 H116 Br4 N4 P4 Pt4 -","4","1","","Anderson, Craig M.; Crespo, Margarita; Kfoury, Nicole; Weinstein, Michael A.; Tanski, Joseph M.","Regioselective C‒H Activation Preceded by Csp2‒Csp3Reductive Elimination from Cyclometalated Platinum(IV) Complexes","Organometallics","2013","32","15","4199","","10.1021/om400398g","","","0.71073","MoKα","","0.039","0.0284","","","0.0514","0.0538","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081062","10.7807","0.0003","10.8831","0.0004","12.6408","0.0004","77.368","0.001","76.311","0.001","82.186","0.001","1400.55","0.08","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Br N P Pt -","- C33 H29 Br N P Pt -","- C66 H58 Br2 N2 P2 Pt2 -","2","1","","Anderson, Craig M.; Crespo, Margarita; Kfoury, Nicole; Weinstein, Michael A.; Tanski, Joseph M.","Regioselective C‒H Activation Preceded by Csp2‒Csp3Reductive Elimination from Cyclometalated Platinum(IV) Complexes","Organometallics","2013","32","15","4199","","10.1021/om400398g","","","0.71073","MoKα","","0.0315","0.0265","","","0.0665","0.0685","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081063","23.4464","0.0008","10.4186","0.0004","25.3503","0.0009","90","","101.89","","90","","6059.7","0.4","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 Br N P Pt -","- C36 H35 Br N P Pt -","- C288 H280 Br8 N8 P8 Pt8 -","8","1","","Anderson, Craig M.; Crespo, Margarita; Kfoury, Nicole; Weinstein, Michael A.; Tanski, Joseph M.","Regioselective C‒H Activation Preceded by Csp2‒Csp3Reductive Elimination from Cyclometalated Platinum(IV) Complexes","Organometallics","2013","32","15","4199","","10.1021/om400398g","","","0.71073","MoKα","","0.0304","0.0203","","","0.0434","0.0463","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081064","11.8808","0.0003","17.5398","0.0003","19.5471","0.0004","90","","90","","90","","4073.36","0.15","123","","123","","","","","","","","see text","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H45 Br N2 O2 P2 Ru -","- C46 H45 Br N2 O2 P2 Ru -","- C184 H180 Br4 N8 O8 P8 Ru4 -","4","1","","Witt, Julia; Pöthig, Alexander; Kühn, Fritz E.; Baratta, Walter","Abnormal N-Heterocyclic Carbene-Phosphine Ruthenium(II) Complexes as Active Catalysts for Transfer Hydrogenation","Organometallics","2013","32","15","4042","","10.1021/om400400w","","x-ray","0.71073","MoKα","","0.0136","0.0132","","","0.0385","0.0387","","","","","","1.035","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081065","10.4247","0.0005","10.5252","0.0006","14.5981","0.0008","90.267","0.003","93.289","0.003","115.908","0.003","1437.59","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H82 Cl10 Mg6 O8 -","- C40 H82 Cl10 Mg6 O8 -","- C40 H82 Cl10 Mg6 O8 -","1","0.5","","Pirinen, Sami; Koshevoy, Igor O.; Denifl, Peter; Pakkanen, Tuula T.","A Single-Crystal Model for MgCl2‒Electron Donor Support Materials: [Mg3Cl5(THF)4Bu]2(Bu =n-Butyl)","Organometallics","2013","32","15","4208","","10.1021/om400407p","","","0.71073","MoKα","","0.1149","0.059","","","0.0756","0.0868","","","","","","0.997","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081066","8.7356","0.0002","13.0017","0.0002","35.9118","0.0006","90","","96.187","0.002","90","","4055.02","0.13","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 P -","- C24 H27 P -","- C192 H216 P8 -","8","2","","Ganushevich, Yulia S.; Miluykov, Vasily A.; Polyancev, Fedor M.; Latypov, Shamil K.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Yakhvarov, Dmitry G.; Sinyashin, Oleg G.","Nickel Phosphanido Hydride Complex: An Intermediate in the Hydrophosphination of Unactivated Alkenes by Primary Phosphine","Organometallics","2013","32","14","3914","","10.1021/om400408e","","","0.71073","MoKα","","0.0634","0.0511","","","0.13","0.1381","","","","","","1.041","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081067","7.9091","0.0002","15.9536","0.0004","17.3354","0.0004","90","","90","","90","","2187.36","0.09","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 P -","- C26 H31 P -","- C104 H124 P4 -","4","1","","Ganushevich, Yulia S.; Miluykov, Vasily A.; Polyancev, Fedor M.; Latypov, Shamil K.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Yakhvarov, Dmitry G.; Sinyashin, Oleg G.","Nickel Phosphanido Hydride Complex: An Intermediate in the Hydrophosphination of Unactivated Alkenes by Primary Phosphine","Organometallics","2013","32","14","3914","","10.1021/om400408e","","","0.71073","MoKα","","0.0614","0.0451","","","0.0984","0.1051","","","","","","1.022","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081068","10.8063","0.0005","35.6291","0.0013","11.6308","0.0005","90","","117.066","0.005","90","","3987.7","0.3","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H67 Ni P3 -","- C42 H67 Ni P3 -","- C168 H268 Ni4 P12 -","4","1","","Ganushevich, Yulia S.; Miluykov, Vasily A.; Polyancev, Fedor M.; Latypov, Shamil K.; Lönnecke, Peter; Hey-Hawkins, Evamarie; Yakhvarov, Dmitry G.; Sinyashin, Oleg G.","Nickel Phosphanido Hydride Complex: An Intermediate in the Hydrophosphination of Unactivated Alkenes by Primary Phosphine","Organometallics","2013","32","14","3914","","10.1021/om400408e","","","0.71073","MoKα","","0.1291","0.0578","","","0.078","0.0899","","","","","","0.914","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081069","20.622","0.0012","15.6675","0.0009","21.8991","0.0013","90","","92.901","0.001","90","","7066.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H53 La N4 Si4 -","- C26 H53 La N4 Si4 -","- C208 H424 La8 N32 Si32 -","8","1","","Wang, Fenhua; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Miao, Hui; Gu, Xiaoxia; Wei, Yun; Yuan, Qingbing","Novel Lanthanide Amides Incorporating Neutral Pyrrole Ligand in a Constrained Geometry Architecture: Synthesis, Characterization, Reaction, and Catalytic Activity","Organometallics","2013","32","14","3920","","10.1021/om400409x","","","0.71073","MoKα","","0.0408","0.0263","","","0.0546","0.0576","","","","","","1.03","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081070","20.5269","0.0014","15.6748","0.0011","21.8103","0.0015","90","","92.922","0.001","90","","7008.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H53 N4 Nd Si4 -","- C26 H53 N4 Nd Si4 -","- C208 H424 N32 Nd8 Si32 -","8","1","","Wang, Fenhua; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Miao, Hui; Gu, Xiaoxia; Wei, Yun; Yuan, Qingbing","Novel Lanthanide Amides Incorporating Neutral Pyrrole Ligand in a Constrained Geometry Architecture: Synthesis, Characterization, Reaction, and Catalytic Activity","Organometallics","2013","32","14","3920","","10.1021/om400409x","","","0.71073","MoKα","","0.0458","0.0298","","","0.0715","0.0798","","","","","","1.018","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081071","10.6399","0.0007","13.2558","0.0008","15.8529","0.001","81.524","0.001","82.051","0.001","67.121","0.001","2029.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H57 N5 Si2 Sm -","- C37 H57 N5 Si2 Sm -","- C74 H114 N10 Si4 Sm2 -","2","1","","Wang, Fenhua; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Miao, Hui; Gu, Xiaoxia; Wei, Yun; Yuan, Qingbing","Novel Lanthanide Amides Incorporating Neutral Pyrrole Ligand in a Constrained Geometry Architecture: Synthesis, Characterization, Reaction, and Catalytic Activity","Organometallics","2013","32","14","3920","","10.1021/om400409x","","","0.71073","MoKα","","0.0287","0.025","","","0.0703","0.0731","","","","","","1.089","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081072","10.4579","0.0018","11.2161","0.0019","17.663","0.003","79.498","0.002","89.236","0.002","67.474","0.002","1878","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H51 N6 Nd -","- C42 H51 N6 Nd -","- C84 H102 N12 Nd2 -","2","1","","Wang, Fenhua; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Miao, Hui; Gu, Xiaoxia; Wei, Yun; Yuan, Qingbing","Novel Lanthanide Amides Incorporating Neutral Pyrrole Ligand in a Constrained Geometry Architecture: Synthesis, Characterization, Reaction, and Catalytic Activity","Organometallics","2013","32","14","3920","","10.1021/om400409x","","","0.71073","MoKα","","0.0733","0.0561","","","0.1471","0.1617","","","","","","1.033","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081073","8.949","0.004","14.039","0.005","17.128","0.007","90.736","0.005","95.994","0.005","107.657","0.005","2037","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H56 La N5 Si2 -","- C37 H56 La N5 Si2 -","- C74 H112 La2 N10 Si4 -","2","1","","Wang, Fenhua; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Miao, Hui; Gu, Xiaoxia; Wei, Yun; Yuan, Qingbing","Novel Lanthanide Amides Incorporating Neutral Pyrrole Ligand in a Constrained Geometry Architecture: Synthesis, Characterization, Reaction, and Catalytic Activity","Organometallics","2013","32","14","3920","","10.1021/om400409x","","","0.71073","MoKα","","0.1406","0.1254","","","0.3641","0.3732","","","","","","1.099","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081074","10.143","0.002","10.307","0.002","16.905","0.004","85.596","0.003","81.225","0.003","66.324","0.003","1599.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 La N6 -","- C32 H43 La N6 -","- C64 H86 La2 N12 -","2","1","","Wang, Fenhua; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Miao, Hui; Gu, Xiaoxia; Wei, Yun; Yuan, Qingbing","Novel Lanthanide Amides Incorporating Neutral Pyrrole Ligand in a Constrained Geometry Architecture: Synthesis, Characterization, Reaction, and Catalytic Activity","Organometallics","2013","32","14","3920","","10.1021/om400409x","","","0.71073","MoKα","","0.0822","0.0514","","","0.1161","0.1328","","","","","","0.99","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081075","10.1491","0.0018","10.3206","0.0018","16.842","0.003","85.741","0.002","81.455","0.002","66.256","0.002","1596.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 N6 Nd -","- C32 H43 N6 Nd -","- C64 H86 N12 Nd2 -","2","1","","Wang, Fenhua; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Miao, Hui; Gu, Xiaoxia; Wei, Yun; Yuan, Qingbing","Novel Lanthanide Amides Incorporating Neutral Pyrrole Ligand in a Constrained Geometry Architecture: Synthesis, Characterization, Reaction, and Catalytic Activity","Organometallics","2013","32","14","3920","","10.1021/om400409x","","","0.71073","MoKα","","0.0649","0.0422","","","0.1026","0.1158","","","","","","1.025","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081076","13.4383","0.0016","14.7457","0.0018","23.194","0.003","90","","90.801","0.003","90","","4595.6","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 Cl6 N7 P2 -","- C48 H39 Cl6 N7 P2 -","- C192 H156 Cl24 N28 P8 -","4","1","","Johnson, Kevin R. D.; Hayes, Paul G.","Organolutetium-Mediated Dearomatization and Functionalization of Pyrimidine Rings","Organometallics","2013","32","15","4046","","10.1021/om400413e","","","0.71073","MoKα","","0.166","0.063","","","0.1189","0.1556","","","","","","0.96","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081077","16.935","0.002","18.699","0.002","20.754","0.003","95.886","0.002","103.004","0.002","95.355","0.002","6323.7","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C112 H124 Lu2 N14 O P4 Si4 -","- C112 H124 Lu2 N14 O P4 Si4 -","- C224 H248 Lu4 N28 O2 P8 Si8 -","2","1","","Johnson, Kevin R. D.; Hayes, Paul G.","Organolutetium-Mediated Dearomatization and Functionalization of Pyrimidine Rings","Organometallics","2013","32","15","4046","","10.1021/om400413e","","","0.71073","MoKα","","0.1097","0.067","","","0.1812","0.1988","","","","","","1.012","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081078","10.9917","0.0012","17.0689","0.0018","25.153","0.003","90","","90","","90","","4719.1","0.9","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H40 P2 Pd2 -","- C20 H40 P2 Pd2 -","- C160 H320 P16 Pd16 -","8","1","","Chalkley, Matthew J.; Guard, Louise M.; Hazari, Nilay; Hofmann, Peter; Hruszkewycz, Damian P.; Schmeier, Timothy J.; Takase, Michael K.","Synthesis, Electronic Structure, and Reactivity of Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","15","4223","","10.1021/om400415c","","","0.71075","MoKα","","0.0792","0.0528","","","0.0637","0.0683","","","","","","1.157","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081079","15.2853","0.0016","12.135","0.0012","13.6261","0.0014","90","","90.114","0.006","90","","2527.5","0.4","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 P2 Pd2 -","- C24 H42 P2 Pd2 -","- C96 H168 P8 Pd8 -","4","1","","Chalkley, Matthew J.; Guard, Louise M.; Hazari, Nilay; Hofmann, Peter; Hruszkewycz, Damian P.; Schmeier, Timothy J.; Takase, Michael K.","Synthesis, Electronic Structure, and Reactivity of Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","15","4223","","10.1021/om400415c","","","0.71075","MoKα","","0.0607","0.0465","","","0.0869","0.0906","","","","","","1.185","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081080","10.7215","0.0002","8.8263","0.0002","28.078","0.002","90","","90.708","0.006","90","","2656.9","0.2","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H42 P2 Pd2 -","- C26 H42 P2 Pd2 -","- C104 H168 P8 Pd8 -","4","1","","Chalkley, Matthew J.; Guard, Louise M.; Hazari, Nilay; Hofmann, Peter; Hruszkewycz, Damian P.; Schmeier, Timothy J.; Takase, Michael K.","Synthesis, Electronic Structure, and Reactivity of Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","15","4223","","10.1021/om400415c","","","0.71075","MoKα","","0.0354","0.0328","","","0.0758","0.0772","","","","","","1.078","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081081","8.28","0.0009","8.448","0.0009","9.6821","0.001","88.232","0.006","76.546","0.005","63.36","0.004","586.64","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H40 P2 Pd2 -","- C22 H40 P2 Pd2 -","- C22 H40 P2 Pd2 -","1","0.5","","Chalkley, Matthew J.; Guard, Louise M.; Hazari, Nilay; Hofmann, Peter; Hruszkewycz, Damian P.; Schmeier, Timothy J.; Takase, Michael K.","Synthesis, Electronic Structure, and Reactivity of Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","15","4223","","10.1021/om400415c","","","0.71075","MoKα","","0.0215","0.0189","","","0.0372","0.0388","","","","","","1.107","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081082","11.51","0.0007","17.971","0.001","18.1919","0.0011","90","","90","","90","","3762.9","0.4","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 N2 O5 Pd2 Ru2 -","- C42 H36 N2 O5 Pd2 Ru2 -","- C168 H144 N8 O20 Pd8 Ru8 -","4","1","","Mercier, Audrey; Wagschal, Simon; Guénée, Laure; Besnard, Céline; Kündig, E. Peter","Regioselective Cyclometalation of Planar Chiral Pyridine and Oxazoline Derivatives:peri- versusortho-C‒H Functionalization","Organometallics","2013","32","14","3932","","10.1021/om4004175","","","0.71073","MoKα","","0.0464","0.0448","","","0.1202","0.1213","","","","","","1.06","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081083","8.118","0.0005","18.8863","0.0014","13.1915","0.0009","90","","101.103","0.006","90","","1984.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H68 N4 O8 Sn4 -","- C28 H68 N4 O8 Sn4 -","- C56 H136 N8 O16 Sn8 -","2","0.5","","Gock, Michael; Wiedemann, Bianca; Dietz, Christina; Bai, Chenyu; Lutter, Michael; Abeyawarathan, Vinusuya; Jurkschat, Klaus","Simplicity Meets Beauty. Trapping Molecular Dimethyltin Oxide in the Novel Organotinoxo Cluster [MeN(CH2CH2O)2SnMe2.Me2SnO]3","Organometallics","2013","32","15","4262","","10.1021/om400432k","","","0.71073","MoKα","","0.0659","0.032","","","0.0479","0.05","","","","","","0.807","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081084","13.0039","0.0004","14.2484","0.0004","18.4949","0.0005","90","","90","","90","","3426.82","0.17","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H58 N4 Na2 O8 Sn2 -","- C24 H58 N4 Na2 O8 Sn2 -","- C96 H232 N16 Na8 O32 Sn8 -","4","0.5","","Gock, Michael; Wiedemann, Bianca; Dietz, Christina; Bai, Chenyu; Lutter, Michael; Abeyawarathan, Vinusuya; Jurkschat, Klaus","Simplicity Meets Beauty. Trapping Molecular Dimethyltin Oxide in the Novel Organotinoxo Cluster [MeN(CH2CH2O)2SnMe2.Me2SnO]3","Organometallics","2013","32","15","4262","","10.1021/om400432k","","","0.71073","MoKα","","0.0387","0.0345","","","0.0687","0.07","","","","","","1.205","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081085","14.2605","0.0003","14.2605","0.0003","13.0444","0.0007","90","","90","","120","","2297.33","0.14","173","2","173","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C27 H69.5 N3 O9.25 Sn6 -","- C27 H69 N3 O9.26 Sn6 -","- C54 H138 N6 O18.52 Sn12 -","2","0.166667","","Gock, Michael; Wiedemann, Bianca; Dietz, Christina; Bai, Chenyu; Lutter, Michael; Abeyawarathan, Vinusuya; Jurkschat, Klaus","Simplicity Meets Beauty. Trapping Molecular Dimethyltin Oxide in the Novel Organotinoxo Cluster [MeN(CH2CH2O)2SnMe2.Me2SnO]3","Organometallics","2013","32","15","4262","","10.1021/om400432k","","","0.71073","MoKα","","0.0284","0.0198","","","0.0371","0.0381","","","","","","0.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081086","10.565","0.009","20.713","0.018","16.133","0.014","90","","103.262","0.009","90","","3436","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Br2 N2 Ni -","- C40 H36 Br2 N2 Ni -","- C160 H144 Br8 N8 Ni4 -","4","0.5","","Yuan, Jianchao; Wang, Fuzhou; Xu, Weibing; Mei, Tongjian; Li, Jing; Yuan, Bingnian; Song, Fengying; Jia, Zong","Chiral Naphthyl-α-diimine Nickel(II) Catalysts Bearingsec-Phenethyl Groups: Chain-Walking Polymerization of Ethylene at High Temperature and Stereoselective Polymerization of Methyl Methacrylate at Low Temperature","Organometallics","2013","32","14","3960","","10.1021/om400433t","","","0.71073","MoKα","","0.1011","0.0486","","","0.0897","0.1057","","","","","","0.977","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081087","9.646","0.004","11.889","0.005","14.387","0.006","90","","97.964","0.004","90","","1634","1.2","296","2","296.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H24 Br2 N2 Ni -","- C34 H24 Br2 N2 Ni -","- C68 H48 Br4 N4 Ni2 -","2","0.5","","Yuan, Jianchao; Wang, Fuzhou; Xu, Weibing; Mei, Tongjian; Li, Jing; Yuan, Bingnian; Song, Fengying; Jia, Zong","Chiral Naphthyl-α-diimine Nickel(II) Catalysts Bearingsec-Phenethyl Groups: Chain-Walking Polymerization of Ethylene at High Temperature and Stereoselective Polymerization of Methyl Methacrylate at Low Temperature","Organometallics","2013","32","14","3960","","10.1021/om400433t","","","0.71073","MoKα","","0.0658","0.0358","","","0.0763","0.0827","","","","","","0.955","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081088","15.137","0.009","7.266","0.004","9.703","0.006","90","","101.976","0.006","90","","1044","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 -","- C26 H24 N2 -","- C52 H48 N4 -","2","0.5","","Yuan, Jianchao; Wang, Fuzhou; Xu, Weibing; Mei, Tongjian; Li, Jing; Yuan, Bingnian; Song, Fengying; Jia, Zong","Chiral Naphthyl-α-diimine Nickel(II) Catalysts Bearingsec-Phenethyl Groups: Chain-Walking Polymerization of Ethylene at High Temperature and Stereoselective Polymerization of Methyl Methacrylate at Low Temperature","Organometallics","2013","32","14","3960","","10.1021/om400433t","","","0.71073","MoKα","","0.0921","0.0496","","","0.1261","0.1515","","","","","","1.054","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081089","18.79","0.03","21.41","0.03","7.767","0.01","90","","90","","90","","3125","8","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C40 H36 N2 -","- C40 H36 N2 -","- C160 H144 N8 -","4","0.5","","Yuan, Jianchao; Wang, Fuzhou; Xu, Weibing; Mei, Tongjian; Li, Jing; Yuan, Bingnian; Song, Fengying; Jia, Zong","Chiral Naphthyl-α-diimine Nickel(II) Catalysts Bearingsec-Phenethyl Groups: Chain-Walking Polymerization of Ethylene at High Temperature and Stereoselective Polymerization of Methyl Methacrylate at Low Temperature","Organometallics","2013","32","14","3960","","10.1021/om400433t","","","0.71073","MoKα","","0.1154","0.063","","","0.1149","0.1382","","","","","","1.051","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081090","21.644","0.009","21.644","0.009","24.538","0.012","90","","90","","90","","11495","9","296","2","296","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- C34 H24 N2 -","- C34 H24 N2 -","- C544 H384 N32 -","16","0.5","","Yuan, Jianchao; Wang, Fuzhou; Xu, Weibing; Mei, Tongjian; Li, Jing; Yuan, Bingnian; Song, Fengying; Jia, Zong","Chiral Naphthyl-α-diimine Nickel(II) Catalysts Bearingsec-Phenethyl Groups: Chain-Walking Polymerization of Ethylene at High Temperature and Stereoselective Polymerization of Methyl Methacrylate at Low Temperature","Organometallics","2013","32","14","3960","","10.1021/om400433t","","","0.71073","MoKα","","0.2828","0.154","","","0.3806","0.4484","","","","","","1.005","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081091","17.726","0.013","5.818","0.004","8.475","0.006","90","","92.057","0.009","90","","873.5","1.1","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C48 H40 N4 -","2","0.5","","Yuan, Jianchao; Wang, Fuzhou; Xu, Weibing; Mei, Tongjian; Li, Jing; Yuan, Bingnian; Song, Fengying; Jia, Zong","Chiral Naphthyl-α-diimine Nickel(II) Catalysts Bearingsec-Phenethyl Groups: Chain-Walking Polymerization of Ethylene at High Temperature and Stereoselective Polymerization of Methyl Methacrylate at Low Temperature","Organometallics","2013","32","14","3960","","10.1021/om400433t","","","0.71073","MoKα","","0.06","0.0439","","","0.1142","0.1265","","","","","","1.044","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081092","31.6302","0.0006","17.407","0.0002","16.7434","0.0003","90","","90","","90","","9218.7","0.3","120","2","120","2","","","","","","","synthesis as described","6","C m c 21","C 2c -2","36","","","","- C84 H134 Bi3 Cl3 N6 Si3 -","- C84 H134 Bi3 Cl3 N6 Si3 -","- C336 H536 Bi12 Cl12 N24 Si12 -","4","0.5","","Day, Benjamin M.; Coles, Martyn P.","Assigning Hapticity to Cyclopentadienyl Derivatives of Antimony and Bismuth","Organometallics","2013","32","15","4270","","10.1021/om400434f","","","0.71073","MoKα","","0.0321","0.0266","","","0.0465","0.0479","","","","","","1.017","","","","has coordinates,has disorder","178699","2020-10-21","18:00:00",""
"4081093","16.9419","0.0003","11.0196","0.0002","18.7499","0.0003","90","","114.095","0.001","90","","3195.48","0.1","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H45 Bi N2 Si -","- C31 H45 Bi N2 Si -","- C124 H180 Bi4 N8 Si4 -","4","1","","Day, Benjamin M.; Coles, Martyn P.","Assigning Hapticity to Cyclopentadienyl Derivatives of Antimony and Bismuth","Organometallics","2013","32","15","4270","","10.1021/om400434f","","x-ray","0.71073","MoKα","","0.0284","0.0217","","","0.0469","0.0492","","","","","","1.05","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081094","16.7219","0.0004","22.9332","0.0004","10.4881","0.0002","90","","90","","90","","4022.05","0.14","173","2","173","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C42 H61 N2 Sb Si -","- C42 H61 N2 Sb Si -","- C168 H244 N8 Sb4 Si4 -","4","0.5","","Day, Benjamin M.; Coles, Martyn P.","Assigning Hapticity to Cyclopentadienyl Derivatives of Antimony and Bismuth","Organometallics","2013","32","15","4270","","10.1021/om400434f","","x-ray","0.71073","MoKα","","0.0396","0.0288","","","0.0626","0.0666","","","","","","1.016","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081095","10.192","0.0003","20.3511","0.0006","17.9516","0.0005","90","","97.701","0.002","90","","3689.91","0.19","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H55 Bi N2 Si -","- C36 H55 Bi N2 Si -","- C144 H220 Bi4 N8 Si4 -","4","1","","Day, Benjamin M.; Coles, Martyn P.","Assigning Hapticity to Cyclopentadienyl Derivatives of Antimony and Bismuth","Organometallics","2013","32","15","4270","","10.1021/om400434f","","x-ray","0.71073","MoKα","","0.0933","0.0485","","","0.0777","0.0884","","","","","","0.985","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081096","13.5378","0.0002","31.6724","0.0006","14.2095","0.0003","90","","95.402","0.001","90","","6065.61","0.19","173","1","173","1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Compound X","","","- C34 H25 Cl2 F5 Fe N Pt -","- C34 H25 Cl2 F5 Fe N Pt -","- C272 H200 Cl16 F40 Fe8 N8 Pt8 -","8","2","","Berenguer, Jesús R.; Fernández, Julio; Giménez, Nora; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio","Unexpected Formation of Ferrocenyl(vinyl)benzoquinoline Ligands by Oxidation of an Alkyne Benzoquinolate Platinum(II) Complex","Organometallics","2013","32","14","3943","","10.1021/om4004384","","","0.71073","MoKα","","0.0643","0.0409","","","0.0805","0.0887","","","","","","1.049","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081097","9.2191","0.0008","10.9141","0.0006","13.7454","0.0011","112.557","0.004","95.355","0.004","98.071","0.005","1248.09","0.17","173","1","173","1","","","","","","","","8","P -1","-P 1","2","ng104","","","- C24 H21 Br2 F5 N O Pt S -","- C24 H21 Br2 F5 N O Pt S -","- C48 H42 Br4 F10 N2 O2 Pt2 S2 -","2","1","","Berenguer, Jesús R.; Fernández, Julio; Giménez, Nora; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio","Unexpected Formation of Ferrocenyl(vinyl)benzoquinoline Ligands by Oxidation of an Alkyne Benzoquinolate Platinum(II) Complex","Organometallics","2013","32","14","3943","","10.1021/om4004384","","","0.71073","MoKα","","0.0651","0.0426","","","0.0874","0.095","","","","","","1.037","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081098","8.4155","0.0004","14.3312","0.0007","19.5012","0.0011","90","","95.981","0.002","90","","2339.1","0.2","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","ng101","","","- C23 H16 F5 I2 N Pt S -","- C23 H16 F5 I2 N Pt S -","- C92 H64 F20 I8 N4 Pt4 S4 -","4","1","","Berenguer, Jesús R.; Fernández, Julio; Giménez, Nora; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio","Unexpected Formation of Ferrocenyl(vinyl)benzoquinoline Ligands by Oxidation of an Alkyne Benzoquinolate Platinum(II) Complex","Organometallics","2013","32","14","3943","","10.1021/om4004384","","","0.71073","MoKα","","0.0655","0.048","","","0.1101","0.1178","","","","","","1.05","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081099","8.0406","0.0002","25.3286","0.0007","12.4714","0.0003","90","","104.642","0.001","90","","2457.4","0.11","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","ng109","","","- C23 H16 Br2 F5 N Pt S -","- C23 H16 Br2 F5 N Pt S -","- C92 H64 Br8 F20 N4 Pt4 S4 -","4","1","","Berenguer, Jesús R.; Fernández, Julio; Giménez, Nora; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio","Unexpected Formation of Ferrocenyl(vinyl)benzoquinoline Ligands by Oxidation of an Alkyne Benzoquinolate Platinum(II) Complex","Organometallics","2013","32","14","3943","","10.1021/om4004384","","","0.71073","MoKα","","0.0376","0.034","","","0.091","0.0928","","","","","","1.11","","","","has coordinates","178699","2020-10-21","18:00:00",""
"4081100","12.868","0.0014","15.9732","0.0017","18.6685","0.0019","90","","92.492","0.002","90","","3833.6","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Co N2 O5 -","- C19 H19 Co N2 O5 -","- C152 H152 Co8 N16 O40 -","8","2","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","NCN-Pincer Cobalt Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2013","32","14","3980","","10.1021/om400450n","","","0.71073","MoKα","","0.0426","0.0383","","","0.1053","0.1083","","","","","","1.089","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081101","8.975","0.002","17.704","0.004","18.027","0.004","90","","90","","90","","2864.4","1.1","153","2","153","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C12 H18.5 Co0.5 I N O2.5 -","- C12 H18.5 Co0.5 I N O2.5 -","- C96 H148 Co4 I8 N8 O20 -","8","","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","NCN-Pincer Cobalt Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2013","32","14","3980","","10.1021/om400450n","","","0.71073","MoKα","","0.0481","0.0374","","","0.0805","0.0847","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081102","9.4823","0.0017","15.922","0.003","20.425","0.004","90","","90","","90","","3083.7","1","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 Cl6 Co I2 N2 O3 -","- C20 H27 Cl6 Co I2 N2 O3 -","- C80 H108 Cl24 Co4 I8 N8 O12 -","4","1","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","NCN-Pincer Cobalt Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2013","32","14","3980","","10.1021/om400450n","","","0.71073","MoKα","","0.0865","0.0616","","","0.128","0.1503","","","","","","1.099","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081103","9.092","0.003","10.166","0.003","11.559","0.003","90","","106.914","0.005","90","","1022.2","0.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H25 Co N2 O6 -","- C20 H25 Co N2 O6 -","- C40 H50 Co2 N4 O12 -","2","1","","Hosokawa, Satomi; Ito, Jun-ichi; Nishiyama, Hisao","NCN-Pincer Cobalt Complexes Containing Bis(oxazolinyl)phenyl Ligands","Organometallics","2013","32","14","3980","","10.1021/om400450n","","","0.71073","MoKα","","0.0315","0.0299","","","0.0683","0.0689","","","","","","1.028","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081104","11.3975","0.0003","12.4827","0.0003","19.9754","0.0005","102.55","0.001","105.307","0.001","98.8375","0.0011","2607.56","0.12","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H56 P4 -","- C64 H56 P4 -","- C128 H112 P8 -","2","1","","Gloaguen, Yann; Jongens, Lianne M.; Reek, Joost N. H.; Lutz, Martin; de Bruin, Bas; van der Vlugt, Jarl Ivar","Reductive Elimination at an Ortho-Metalated Iridium(III) Hydride Bearing a Tripodal Tetraphosphorus Ligand","Organometallics","2013","32","15","4284","","10.1021/om400451y","","","0.71073","MoKα","","0.05","0.0392","","","0.1039","0.1128","","","","","","1.031","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081105","12.7688","0.0003","12.903","0.0003","17.9973","0.0003","89.388","0.001","71.597","0.001","68.159","0.001","2592.31","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H50 Cl2 F6 Ir P5 -","- C58 H50 Cl2 F6 Ir P5 -","- C116 H100 Cl4 F12 Ir2 P10 -","2","1","","Gloaguen, Yann; Jongens, Lianne M.; Reek, Joost N. H.; Lutz, Martin; de Bruin, Bas; van der Vlugt, Jarl Ivar","Reductive Elimination at an Ortho-Metalated Iridium(III) Hydride Bearing a Tripodal Tetraphosphorus Ligand","Organometallics","2013","32","15","4284","","10.1021/om400451y","","","0.71073","MoKα","","0.0243","0.021","","","0.0523","0.0537","","","","","","1.07","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081106","16.333","0.002","9.8899","0.0012","20.157","0.003","90","","91.055","0.002","90","","3255.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H52 B10 N4 O Zr -","- C22 H52 B10 N4 O Zr -","- C88 H208 B40 N16 O4 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.0672","0.0409","","","0.1052","0.1214","","","","","","1.022","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081107","17.853","0.002","11.8374","0.0017","17.036","0.002","90","","103.464","0.003","90","","3501.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 B10 N4 Zr -","- C24 H56 B10 N4 Zr -","- C96 H224 B40 N16 Zr4 -","4","0.5","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.029","0.0258","","","0.0678","0.0702","","","","","","1.096","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081108","18.043","0.003","11.732","0.002","16.682","0.003","90","","102.948","0.003","90","","3441.5","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 B10 N4 Ti -","- C24 H56 B10 N4 Ti -","- C96 H224 B40 N16 Ti4 -","4","0.5","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.132","0.076","","","0.206","0.2496","","","","","","1.053","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081109","17.815","0.004","11.853","0.002","16.961","0.003","90","","103.71","0.003","90","","3479.5","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 B10 Hf N4 -","- C24 H56 B10 Hf N4 -","- C96 H224 B40 Hf4 N16 -","4","0.5","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.0269","0.0231","","","0.0568","0.059","","","","","","1.02","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081110","21.486","0.002","12.4869","0.0014","24.828","0.002","90","","109.396","0.002","90","","6283.1","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H90 B10 N4 O3 Zr -","- C61 H90 B10 N4 O3 Zr -","- C244 H360 B40 N16 O12 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.1425","0.0617","","","0.1465","0.2055","","","","","","1.036","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081111","11.9843","0.0014","21.114","0.002","20.507","0.002","90","","99.439","0.002","90","","5118.8","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H74 B10 N4 O Zr -","- C46 H74 B10 N4 O Zr -","- C184 H296 B40 N16 O4 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.0847","0.0427","","","0.1083","0.1369","","","","","","1.059","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081112","17.135","0.002","13.9697","0.0019","18.013","0.002","90","","97.642","0.002","90","","4273.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H65 B10 N5 Zr -","- C37 H65 B10 N5 Zr -","- C148 H260 B40 N20 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.0833","0.0496","","","0.1162","0.1353","","","","","","1.019","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081113","10.6863","0.0015","13.2909","0.0019","21.843","0.003","86.809","0.003","88.156","0.003","69.049","0.003","2892.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.5 H86 B10 N6 O0.5 Zr -","- C52.5 H78 B10 N6 O0.5 Zr -","- C105 H156 B20 N12 O Zr2 -","2","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.1022","0.0664","","","0.1719","0.2048","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081114","21.37","0.004","17.528","0.003","23.837","0.004","90","","105.762","0.003","90","","8593","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H70 B10 Hf N6 -","- C31 H70 B10 Hf N6 -","- C248 H560 B80 Hf8 N48 -","8","2","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.0625","0.0363","","","0.0927","0.1019","","","","","","0.99","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081115","10.4933","0.0011","21.436","0.002","23.573","0.002","90","","90","","90","","5302.4","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H69 B10 N5 O1.5 Zr -","- C39 H69 B10 N5 O1.5 Zr -","- C156 H276 B40 N20 O6 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.1401","0.0876","","","0.2323","0.2803","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081116","13.597","0.003","18.556","0.004","23.349","0.005","90","","90","","90","","5891","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H73 B10 N5 S Zr -","- C45 H73 B10 N5 S Zr -","- C180 H292 B40 N20 S4 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.2028","0.0774","","","0.1958","0.2594","","","","","","0.989","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081117","12.655","0.004","11.085","0.004","27.091","0.009","90","","92.148","0.005","90","","3798","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H56 B10 Hf N4 S2 -","- C25 H56 B10 Hf N4 S2 -","- C100 H224 B40 Hf4 N16 S8 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.0492","0.0345","","","0.0881","0.0945","","","","","","1.006","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081118","14.092","0.002","13.669","0.002","24.899","0.004","90","","96.282","0.003","90","","4767.3","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H61 B10 N7 Zr -","- C41 H53 B10 N7 Zr -","- C164 H212 B40 N28 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.1102","0.0519","","","0.1246","0.1626","","","","","","1.015","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081119","11.835","0.002","15.803","0.003","23.401","0.005","90","","90","","90","","4376.7","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H54 Cl2 N4 Zr -","- C38 H54 Cl2 N4 Zr -","- C152 H216 Cl8 N16 Zr4 -","4","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.2448","0.1028","","","0.2738","0.3496","","","","","","1.006","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081120","11.513","0.002","13.605","0.002","14.146","0.003","95.113","0.004","108.579","0.004","111.221","0.004","1904.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H54 Cl2 N4 Ti -","- C38 H54 Cl2 N4 Ti -","- C76 H108 Cl4 N8 Ti2 -","2","1","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.1024","0.0497","","","0.1173","0.1504","","","","","","1.048","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081121","9.9744","0.0017","31.11","0.005","14.936","0.003","90","","101.016","0.002","90","","4549.3","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H34 Cl2 N4 Zr -","- C16 H34 Cl2 N4 Zr -","- C128 H272 Cl16 N32 Zr8 -","8","2","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.0702","0.0494","","","0.1315","0.1482","","","","","","0.988","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081122","20.524","0.004","8.5533","0.0017","16.881","0.003","90","","90","","90","","2963.4","1","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H38 Cl2 N4 Zr -","- C26 H38 Cl2 N4 Zr -","- C104 H152 Cl8 N16 Zr4 -","4","0.5","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.1366","0.0492","","","0.1162","0.1419","","","","","","0.985","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081123","15.927","0.004","11.063","0.002","15.906","0.003","90","","90","","90","","2802.6","1","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H46 Cl2 N4 Ti -","- C22 H46 Cl2 N4 Ti -","- C88 H184 Cl8 N16 Ti4 -","4","0.5","","Ren, Shikuo; Qiu, Zaozao; Xie, Zuowei","Synthesis of Neutral Group 4 Metal‒Carboryne Complexes and Their Reactivity toward Unsaturated Molecules","Organometallics","2013","32","15","4292","","10.1021/om400458r","","","0.71073","MoKα","","0.0674","0.0468","","","0.1243","0.141","","","","","","1.073","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081124","21.1681","0.0009","18.5763","0.001","25.2229","0.0013","90","","90","","90","","9918.3","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C61.8 H56.2 O P3 Ru -","- C61.8 H56.2 O P3 Ru -","- C494.4 H449.6 O8 P24 Ru8 -","8","1","","Samouei, Hamidreza; Grushin, Vladimir V.","New, Highly Efficient, Simple, Safe, and Scalable Synthesis of [(Ph3P)3Ru(CO)(H)2]","Organometallics","2013","32","15","4440","","10.1021/om400461w","","","0.71073","MoKα","","0.0822","0.0449","","","0.106","0.128","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081125","20.4972","0.0016","9.6652","0.0007","23.9316","0.0018","90","","108.133","0.002","90","","4505.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H49 O2 P3 Ru -","- C56 H49 O2 P3 Ru -","- C224 H196 O8 P12 Ru4 -","4","1","","Samouei, Hamidreza; Grushin, Vladimir V.","New, Highly Efficient, Simple, Safe, and Scalable Synthesis of [(Ph3P)3Ru(CO)(H)2]","Organometallics","2013","32","15","4440","","10.1021/om400461w","","","0.71073","MoKα","","0.0306","0.0263","","","0.0665","0.0693","","","","","","1.012","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081126","14.2556","0.001","8.9089","0.0007","26.4797","0.0019","90","","93.015","0.002","90","","3358.3","0.4","193","2","193","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 B F4 N2 P2 Pd S2 -","- C34 H27 B F4 N2 P2 Pd S2 -","- C136 H108 B4 F16 N8 P8 Pd4 S8 -","4","1","","Lisena, Jérôme; Monot, Julien; Mallet-Ladeira, Sonia; Martin-Vaca, Blanca; Bourissou, Didier","Influence of the Ligand Backbone in Pincer Complexes: Indenediide-, Indolyl-, and Indenyl-Based SCS Palladium Complexes","Organometallics","2013","32","15","4301","","10.1021/om400464j","","x-ray","0.71073","MoKα","","0.0773","0.0413","","","0.0832","0.1023","","","","","","1.028","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081127","9.1982","0.0003","30.8703","0.0014","18.8299","0.0007","90","","105.865","0.002","90","","5143.1","0.3","193","2","193","2","","","","","","","synthesis as described","9","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 B Cl4 F4 N P3 Pd S2 -","- C52 H43 B Cl4 F4 N P3 Pd S2 -","- C208 H172 B4 Cl16 F16 N4 P12 Pd4 S8 -","4","1","","Lisena, Jérôme; Monot, Julien; Mallet-Ladeira, Sonia; Martin-Vaca, Blanca; Bourissou, Didier","Influence of the Ligand Backbone in Pincer Complexes: Indenediide-, Indolyl-, and Indenyl-Based SCS Palladium Complexes","Organometallics","2013","32","15","4301","","10.1021/om400464j","","x-ray","0.71073","MoKα","","0.0933","0.0539","","","0.1463","0.1792","","","","","","1.053","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081128","8.1749","0.0012","8.8499","0.0012","19.461","0.003","91.866","0.002","99.966","0.002","104.267","0.002","1339.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 Cl Ir N3 -","- C28 H29 Cl Ir N3 -","- C56 H58 Cl2 Ir2 N6 -","2","1","","Daw, Prosenjit; Ghatak, Tapas; Doucet, Henri; Bera, Jitendra K.","Cyclometalations on the Imidazo[1,2-a][1,8]naphthyridine Framework","Organometallics","2013","32","15","4306","","10.1021/om4004658","","","0.71073","MoKα","","0.0653","0.0484","","","0.1053","0.1369","","","","","","1.207","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081129","8.4305","0.0014","8.9632","0.0015","15.168","0.003","88.613","0.003","81.547","0.003","75.942","0.003","1099.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 Cl Ir N3 -","- C26 H25 Cl Ir N3 -","- C52 H50 Cl2 Ir2 N6 -","2","1","","Daw, Prosenjit; Ghatak, Tapas; Doucet, Henri; Bera, Jitendra K.","Cyclometalations on the Imidazo[1,2-a][1,8]naphthyridine Framework","Organometallics","2013","32","15","4306","","10.1021/om4004658","","","0.71073","MoKα","","0.0324","0.03","","","0.0675","0.0689","","","","","","0.81","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081130","13.789","0.003","16.212","0.003","15.598","0.003","90","","112.676","0.003","90","","3217.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Cl2 Ir2 N3 -","- C36 H24 Cl2 Ir2 N3 -","- C144 H96 Cl8 Ir8 N12 -","4","1","","Daw, Prosenjit; Ghatak, Tapas; Doucet, Henri; Bera, Jitendra K.","Cyclometalations on the Imidazo[1,2-a][1,8]naphthyridine Framework","Organometallics","2013","32","15","4306","","10.1021/om4004658","","","0.71073","MoKα","","0.132","0.0752","","","0.1878","0.2262","","","","","","1.044","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081131","36.268","0.005","9.3125","0.0012","18.14","0.002","90","","92.872","0.003","90","","6119","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 Cl3 Ir N3 Sn -","- C28 H29 Cl3 Ir N3 Sn -","- C224 H232 Cl24 Ir8 N24 Sn8 -","8","1","","Daw, Prosenjit; Ghatak, Tapas; Doucet, Henri; Bera, Jitendra K.","Cyclometalations on the Imidazo[1,2-a][1,8]naphthyridine Framework","Organometallics","2013","32","15","4306","","10.1021/om4004658","","","0.71073","MoKα","","0.051","0.0363","","","0.0905","0.1019","","","","","","1.072","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081132","10.4699","0.0009","13.6086","0.0011","15.4117","0.0013","90.882","0.001","92.845","0.001","93.711","0.001","2188.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 Cl8 Ir2 N3 Sn2 -","- C37 H41 Cl8 Ir2 N3 Sn2 -","- C74 H82 Cl16 Ir4 N6 Sn4 -","2","1","","Daw, Prosenjit; Ghatak, Tapas; Doucet, Henri; Bera, Jitendra K.","Cyclometalations on the Imidazo[1,2-a][1,8]naphthyridine Framework","Organometallics","2013","32","15","4306","","10.1021/om4004658","","","0.71073","MoKα","","0.0292","0.0261","","","0.0534","0.0552","","","","","","0.84","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081133","13.456","0.002","20.339","0.002","13.4006","0.0018","90","","99.64","0.003","90","","3615.7","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cl4 N6 O4 Pd2 -","- C38 H30 Cl4 N6 O4 Pd2 -","- C152 H120 Cl16 N24 O16 Pd8 -","4","0.5","","Daw, Prosenjit; Ghatak, Tapas; Doucet, Henri; Bera, Jitendra K.","Cyclometalations on the Imidazo[1,2-a][1,8]naphthyridine Framework","Organometallics","2013","32","15","4306","","10.1021/om4004658","","","0.71073","MoKα","","0.0589","0.0395","","","0.0862","0.1112","","","","","","1.106","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081134","16.875","0.003","19.182","0.003","17.333","0.003","90","","109.974","0.003","90","","5273.1","1.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H72 Br6 N18 O6 Pd6 -","- C96 H60 Br6 N18 O6 Pd6 -","- C192 H120 Br12 N36 O12 Pd12 -","2","0.5","","Daw, Prosenjit; Ghatak, Tapas; Doucet, Henri; Bera, Jitendra K.","Cyclometalations on the Imidazo[1,2-a][1,8]naphthyridine Framework","Organometallics","2013","32","15","4306","","10.1021/om4004658","","","0.71073","MoKα","","0.1419","0.0727","","","0.1744","0.2135","","","","","","0.917","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081135","20.5848","0.0005","11.5223","0.0003","25.1824","0.0007","90","","96.117","0.002","90","","5938.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H53 Cl2 O Os P3 -","- C59 H53 Cl2 O Os P3 -","- C236 H212 Cl8 O4 Os4 P12 -","4","1","","Chen, Jinxiang; Zhang, Chunhong; Xie, Tingwan; Wen, Ting Bin; Zhang, Hong; Xia, Haiping","Conversion of a Hydrido‒Butenylcarbyne Complex to η2-Allene-Coordinated Complexes and Metallabenzenes","Organometallics","2013","32","14","3993","","10.1021/om400469e","","","0.71073","MoKα","","0.0901","0.0679","","","0.2157","0.233","","","","","","1.001","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081136","12.8579","0.0005","18.4297","0.0008","26.2219","0.0014","90","","90","","90","","6213.7","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63 H59 Cl10 Os P3 -","- C63 H58 Cl10 Os P3 -","- C252 H232 Cl40 Os4 P12 -","4","1","","Chen, Jinxiang; Zhang, Chunhong; Xie, Tingwan; Wen, Ting Bin; Zhang, Hong; Xia, Haiping","Conversion of a Hydrido‒Butenylcarbyne Complex to η2-Allene-Coordinated Complexes and Metallabenzenes","Organometallics","2013","32","14","3993","","10.1021/om400469e","","","0.71073","MoKα","","0.0557","0.0495","","","0.1139","0.1175","","","","","","1.032","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081137","22.037","0.0005","13.7037","0.0003","20.4654","0.0004","90","","91.007","0.002","90","","6179.4","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 B Cl8 F4 Os P3 -","- C62 H58 B Cl8 F4 Os P3 -","- C248 H232 B4 Cl32 F16 Os4 P12 -","4","1","","Chen, Jinxiang; Zhang, Chunhong; Xie, Tingwan; Wen, Ting Bin; Zhang, Hong; Xia, Haiping","Conversion of a Hydrido‒Butenylcarbyne Complex to η2-Allene-Coordinated Complexes and Metallabenzenes","Organometallics","2013","32","14","3993","","10.1021/om400469e","","","0.71073","MoKα","","0.0484","0.0326","","","0.0697","0.0717","","","","","","0.984","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081138","14.5937","0.0005","15.6767","0.0004","17.8065","0.0006","99.322","0.002","98.837","0.003","90.171","0.002","3970.6","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H75 B Cl O4 Os P3 -","- C84 H75 B Cl O4 Os P3 -","- C168 H150 B2 Cl2 O8 Os2 P6 -","2","1","","Chen, Jinxiang; Zhang, Chunhong; Xie, Tingwan; Wen, Ting Bin; Zhang, Hong; Xia, Haiping","Conversion of a Hydrido‒Butenylcarbyne Complex to η2-Allene-Coordinated Complexes and Metallabenzenes","Organometallics","2013","32","14","3993","","10.1021/om400469e","","","0.71073","MoKα","","0.0749","0.0611","","","0.1711","0.1783","","","","","","1.104","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081139","10.235","0.002","24.06","0.005","22.949","0.005","90","","101.81","0.03","90","","5532","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C66 H54 B Cl F4 N Os P3 -","- C66 H54 B Cl F4 N Os P3 -","- C264 H216 B4 Cl4 F16 N4 Os4 P12 -","4","1","","Chen, Jinxiang; Zhang, Chunhong; Xie, Tingwan; Wen, Ting Bin; Zhang, Hong; Xia, Haiping","Conversion of a Hydrido‒Butenylcarbyne Complex to η2-Allene-Coordinated Complexes and Metallabenzenes","Organometallics","2013","32","14","3993","","10.1021/om400469e","","","0.71073","MoKα","","0.0374","0.0291","","","0.0664","0.0706","","","","","","1.003","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081140","10.093","0.002","14.878","0.003","18.998","0.004","89.52","0.03","86.24","0.03","81.05","0.03","2812","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C62 H53 B Cl3 F4 O2 Os P3 -","- C62 H53 B Cl3 F4 O2 Os P3 -","- C124 H106 B2 Cl6 F8 O4 Os2 P6 -","2","1","","Chen, Jinxiang; Zhang, Chunhong; Xie, Tingwan; Wen, Ting Bin; Zhang, Hong; Xia, Haiping","Conversion of a Hydrido‒Butenylcarbyne Complex to η2-Allene-Coordinated Complexes and Metallabenzenes","Organometallics","2013","32","14","3993","","10.1021/om400469e","","","0.71073","MoKα","","0.0461","0.0414","","","0.1129","0.1187","","","","","","0.978","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081141","16.5416","0.0005","15.8284","0.0006","27.0557","0.0008","90","","91.002","0.002","90","","7082.8","0.4","150","","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 Cl3 N3 O1.5 Zr -","- C36 H39 Cl3 N3 O1.5 Zr -","- C288 H312 Cl24 N24 O12 Zr8 -","8","2","","Larocque, Timothy G.; Dastgir, Sarim; Lavoie, Gino G.","Coordination and Reactivity Study of Titanium and Zirconium Complexes of the First Imidazol-2-imine Ethenolate Ligand","Organometallics","2013","32","15","4314","","10.1021/om4004708","","","0.71073","MoKα","","0.1058","0.0597","","","0.1357","0.1519","","","","","","1.069","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081142","10.2547","0.0008","20.513","0.0016","15.2239","0.0012","90","","94.57","0.001","90","","3192.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","IPrCuFp","","","- C34 H41 Cu Fe N2 O2 -","- C34 H41 Cu Fe N2 O2 -","- C136 H164 Cu4 Fe4 N8 O8 -","4","1","","Jayarathne, Upul; Mazzacano, Thomas J.; Bagherzadeh, Sharareh; Mankad, Neal P.","Heterobimetallic Complexes with Polar, Unsupported Cu‒Fe and Zn‒Fe Bonds Stabilized by N-Heterocyclic Carbenes","Organometallics","2013","32","14","3986","","10.1021/om400471u","","","0.71073","MoKα","","0.065","0.0433","","","0.0967","0.1057","","","","","","1.045","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081143","8.232","0.002","9.071","0.002","18.483","0.005","88.105","0.004","80.824","0.004","70.841","0.004","1286.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","SIMesCuFp","","","- C28 H31 Cu Fe N2 O2 -","- C28 H31 Cu Fe N2 O2 -","- C56 H62 Cu2 Fe2 N4 O4 -","2","1","","Jayarathne, Upul; Mazzacano, Thomas J.; Bagherzadeh, Sharareh; Mankad, Neal P.","Heterobimetallic Complexes with Polar, Unsupported Cu‒Fe and Zn‒Fe Bonds Stabilized by N-Heterocyclic Carbenes","Organometallics","2013","32","14","3986","","10.1021/om400471u","","","0.71073","MoKα","","0.0495","0.0381","","","0.0883","0.0937","","","","","","1.041","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081144","10.5984","0.0011","16.2792","0.0016","20.528","0.002","90","","100.424","0.001","90","","3483.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(IPr)(Cl)ZnFp","","","- C37 H48 Cl Fe N2 O2 Zn -","- C37 H48 Cl Fe N2 O2 Zn -","- C148 H192 Cl4 Fe4 N8 O8 Zn4 -","4","1","","Jayarathne, Upul; Mazzacano, Thomas J.; Bagherzadeh, Sharareh; Mankad, Neal P.","Heterobimetallic Complexes with Polar, Unsupported Cu‒Fe and Zn‒Fe Bonds Stabilized by N-Heterocyclic Carbenes","Organometallics","2013","32","14","3986","","10.1021/om400471u","","","0.71073","MoKα","","0.0453","0.0372","","","0.0985","0.1046","","","","","","1.013","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081145","17.991","0.01","10.641","0.006","26.749","0.015","90","0","92.6051","0.0095","90","0","5116","5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(Fc-NHC)2Ir(COD)][Cl]","","","- C55 H62 Cl3 Fe2 Ir N4 O -","- C55 H62 Cl3 Fe2 Ir N4 O -","- C220 H248 Cl12 Fe8 Ir4 N16 O4 -","4","1","","Arumugam, Kuppuswamy; Chang, Jinho; Lynch, Vincent M.; Bielawski, Christopher W.","Cationic Iridium Complexes Containing Anionic Iridium Counterions Supported by Redox-Active N-Heterocyclic Carbenes","Organometallics","2013","32","15","4334","","10.1021/om4004829","","","0.71069","MoKα","","0.0654","0.0527","","","0.1236","0.1315","","","","","","1.048","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081146","24.1836","0.0012","24.1836","0.0012","10.5165","0.0005","90","","90","","90","","6150.5","0.5","233","2","233","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","[(Fc-NHC)2Ir(COD)][Ir(COD)Cl]","","","- C62 H72 Cl2 Fe2 Ir2 N4 -","- C62 H72 Cl2 Fe2 Ir2 N4 -","- C248 H288 Cl8 Fe8 Ir8 N16 -","4","0.5","","Arumugam, Kuppuswamy; Chang, Jinho; Lynch, Vincent M.; Bielawski, Christopher W.","Cationic Iridium Complexes Containing Anionic Iridium Counterions Supported by Redox-Active N-Heterocyclic Carbenes","Organometallics","2013","32","15","4334","","10.1021/om4004829","","","0.71069","MoKα","","0.0569","0.0428","","","0.0954","0.1005","","","","","","1.103","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081147","16.027","0.013","16.749","0.013","19.181","0.015","90","","105.491","0.002","90","","4962","7","233","2","233","2","","","","","","","","7","C 1 c 1","C -2yc","9","[(Fc-NHC)2Ir(CO)2][Ir(CO2)Cl2]","","","- C50 H48 Cl2 Fe2 Ir2 N4 O4 -","- C50 H48 Cl2 Fe2 Ir2 N4 O4 -","- C200 H192 Cl8 Fe8 Ir8 N16 O16 -","4","1","","Arumugam, Kuppuswamy; Chang, Jinho; Lynch, Vincent M.; Bielawski, Christopher W.","Cationic Iridium Complexes Containing Anionic Iridium Counterions Supported by Redox-Active N-Heterocyclic Carbenes","Organometallics","2013","32","15","4334","","10.1021/om4004829","","","0.71069","MoKα","","0.0445","0.0389","","","0.0824","0.085","","","","","","1.048","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081148","9.6326","0.0001","13.4904","0.0001","23.5098","0.0002","90","","101.697","0.001","90","","2991.6","0.05","150","2","150","2","","","","","","","synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H52 Cl2 P2 Ru -","- C28 H52 Cl2 P2 Ru -","- C112 H208 Cl8 P8 Ru4 -","4","1","","Garc\?ía de la Arada, Isaac; D\?íez, Josefina; Gamasa, M. Pilar; Lastra, Elena","Organoruthenium Complexes Containing New Phosphorus‒Carbon and Phosphorus‒Carbon‒Sulfur Ligands Generated in the Coordination Sphere by Nucleophilic Addition Reactions","Organometallics","2013","32","15","4342","","10.1021/om400487g","","","1.5418","CuKα","","0.0258","0.025","","","0.0703","0.071","","","","","","1.079","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081149","9.564","0.005","12.59","0.005","31.439","0.005","90","","90","","90","","3786","3","150","2","150","2","","","","","","","synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H53 B Cl P Ru -","- C43 H53 B Cl P Ru -","- C172 H212 B4 Cl4 P4 Ru4 -","4","1","","Garc\?ía de la Arada, Isaac; D\?íez, Josefina; Gamasa, M. Pilar; Lastra, Elena","Organoruthenium Complexes Containing New Phosphorus‒Carbon and Phosphorus‒Carbon‒Sulfur Ligands Generated in the Coordination Sphere by Nucleophilic Addition Reactions","Organometallics","2013","32","15","4342","","10.1021/om400487g","","","1.5418","CuKα","","0.0404","0.036","","","0.091","0.0953","","","","","","1.05","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081150","10.771","0.005","11.763","0.005","20.591","0.005","89.795","0.005","82.923","0.005","82.641","0.005","2567.5","1.7","150","2","150","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C61 H63 B Cl2 P2 Ru -","- C61 H63 B Cl2 P2 Ru -","- C122 H126 B2 Cl4 P4 Ru2 -","2","1","","Garc\?ía de la Arada, Isaac; D\?íez, Josefina; Gamasa, M. Pilar; Lastra, Elena","Organoruthenium Complexes Containing New Phosphorus‒Carbon and Phosphorus‒Carbon‒Sulfur Ligands Generated in the Coordination Sphere by Nucleophilic Addition Reactions","Organometallics","2013","32","15","4342","","10.1021/om400487g","","","1.5418","CuKα","","0.0361","0.0318","","","0.0802","0.0836","","","","","","1.025","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081151","14.676","0.005","16.334","0.005","19.443","0.005","112.771","0.005","110.916","0.005","92.817","0.005","3918","2","123","2","123","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C44 H56 B P Ru S -","- C44 H56 B P Ru S -","- C176 H224 B4 P4 Ru4 S4 -","4","2","","Garc\?ía de la Arada, Isaac; D\?íez, Josefina; Gamasa, M. Pilar; Lastra, Elena","Organoruthenium Complexes Containing New Phosphorus‒Carbon and Phosphorus‒Carbon‒Sulfur Ligands Generated in the Coordination Sphere by Nucleophilic Addition Reactions","Organometallics","2013","32","15","4342","","10.1021/om400487g","","","1.5418","CuKα","","0.0545","0.0452","","","0.1272","0.1382","","","","","","1.063","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081152","13.559","0.003","24.731","0.004","20.187","0.004","90","","99.449","0.003","90","","6677","2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H51 B F24 P2 Ru -","- C72 H51 B F24 P2 Ru -","- C288 H204 B4 F96 P8 Ru4 -","4","1","","Ikeda, Yousuke; Mutoh, Yuichiro; Imai, Kohei; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Reactivities of Indenylruthenium Complex toward Internal Alkynes: Formation of Disubstituted Vinylidene Complexes and Indenyl‒Alkyne Coupling","Organometallics","2013","32","15","4353","","10.1021/om4004913","","","0.71075","MoKα","","","0.0777","","","","0.1685","","","","","","1.03","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081153","13.856","0.003","14.739","0.003","18.294","0.003","88.817","0.004","89.534","0.004","88.275","0.004","3733.5","1.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H57 B F24 P2 Ru -","- C82 H57 B F24 P2 Ru -","- C164 H114 B2 F48 P4 Ru2 -","2","1","","Ikeda, Yousuke; Mutoh, Yuichiro; Imai, Kohei; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Reactivities of Indenylruthenium Complex toward Internal Alkynes: Formation of Disubstituted Vinylidene Complexes and Indenyl‒Alkyne Coupling","Organometallics","2013","32","15","4353","","10.1021/om4004913","","","0.71075","MoKα","","","0.0629","","","","0.1748","","","","","","1.047","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081154","15.387","0.004","29.609","0.006","15.159","0.004","90","","106.151","0.002","90","","6634","3","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H51 B F24 P2 Ru -","- C72 H51 B F24 P2 Ru -","- C288 H204 B4 F96 P8 Ru4 -","4","1","","Ikeda, Yousuke; Mutoh, Yuichiro; Imai, Kohei; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Reactivities of Indenylruthenium Complex toward Internal Alkynes: Formation of Disubstituted Vinylidene Complexes and Indenyl‒Alkyne Coupling","Organometallics","2013","32","15","4353","","10.1021/om4004913","","","0.71075","MoKα","","","0.0552","","","","0.1345","","","","","","1.047","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081155","13.581","0.003","20.354","0.004","24.761","0.005","90","","101.421","0.002","90","","6709","2","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H51 B F24 P2 Ru -","- C76 H51 B F24 P2 Ru -","- C304 H204 B4 F96 P8 Ru4 -","4","1","","Ikeda, Yousuke; Mutoh, Yuichiro; Imai, Kohei; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Reactivities of Indenylruthenium Complex toward Internal Alkynes: Formation of Disubstituted Vinylidene Complexes and Indenyl‒Alkyne Coupling","Organometallics","2013","32","15","4353","","10.1021/om4004913","","","0.71075","MoKα","","","0.0548","","","","0.1921","","","","","","1.016","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081156","12.906","0.002","15.614","0.003","18.94","0.003","81.714","0.005","75.882","0.005","89.001","0.006","3662.1","1.1","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C81 H53 B F24 P2 Ru -","- C81 H53 B F24 P2 Ru -","- C162 H106 B2 F48 P4 Ru2 -","2","1","","Ikeda, Yousuke; Mutoh, Yuichiro; Imai, Kohei; Tsuchida, Noriko; Takano, Keiko; Ishii, Youichi","Reactivities of Indenylruthenium Complex toward Internal Alkynes: Formation of Disubstituted Vinylidene Complexes and Indenyl‒Alkyne Coupling","Organometallics","2013","32","15","4353","","10.1021/om4004913","","","0.71075","MoKα","","","0.0716","","","","0.1684","","","","","","1.043","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081157","12.4138","0.0003","12.6953","0.0003","15.1813","0.0004","99.515","0.002","98.669","0.002","115.686","0.002","2058.81","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34.5 H28.5 Cl6 N3 O6 Rh2 S2 -","- C34.5 H28.5 Cl6 N3 O6 Rh2 S2 -","- C69 H57 Cl12 N6 O12 Rh4 S4 -","2","1","","Huang, Da-wei; Lo, Ying-Hao; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Cyclometalation of Anthyridine-Based Ligands with Dirhodium Acetates: Structure and Catalytic Activity","Organometallics","2013","32","14","4009","","10.1021/om400508a","","","0.71073","MoKα","","0.0958","0.0597","","","0.1563","0.1838","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081158","8.4304","0.0003","19.6265","0.0006","22.0923","0.0008","90","","99.117","0.004","90","","3609.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 Cl5 N3 O6 Rh2 -","- C36 H26 Cl5 N3 O6 Rh2 -","- C144 H104 Cl20 N12 O24 Rh8 -","4","1","","Huang, Da-wei; Lo, Ying-Hao; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Cyclometalation of Anthyridine-Based Ligands with Dirhodium Acetates: Structure and Catalytic Activity","Organometallics","2013","32","14","4009","","10.1021/om400508a","","","0.71073","MoKα","","0.0635","0.0493","","","0.1212","0.1336","","","","","","1.014","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081159","11.8618","0.0004","13.4211","0.0004","18.8676","0.0006","104.485","0.003","92.647","0.002","111.303","0.003","2678.05","0.17","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C51 H34 Cl8 N3 O4 P Rh2 S2 -","- C51 H34 Cl8 N3 O4 P Rh2 S2 -","- C102 H68 Cl16 N6 O8 P2 Rh4 S4 -","2","1","","Huang, Da-wei; Lo, Ying-Hao; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung","Cyclometalation of Anthyridine-Based Ligands with Dirhodium Acetates: Structure and Catalytic Activity","Organometallics","2013","32","14","4009","","10.1021/om400508a","","","0.71073","MoKα","","0.0687","0.0514","","","0.1309","0.1485","","","","","","1.026","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081160","12.0402","0.0004","12.1403","0.0004","15.1911","0.0005","72.896","0.003","71.296","0.003","61.025","0.003","1814","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H44 Fe P2 -","- C46 H44 Fe P2 -","- C92 H88 Fe2 P4 -","2","1","","Green, Katy; Gauthier, Nicolas; Sahnoune, Hiba; Argouarch, Gilles; Toupet, Loic; Costuas, Karine; Bondon, Arnaud; Fabre, Bruno; Halet, Jean-François; Paul, Frédéric","Synthesis and Characterization of Redox-Active Mononuclear Fe(κ2-dppe)(η5-C5Me5)-Terminated π-Conjugated Wires","Organometallics","2013","32","15","4366","","10.1021/om400515g","","","0.71073","MoKα","","0.0476","0.0341","","","0.0829","0.0861","","","","","","0.953","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081161","11.9186","0.0009","12.16","0.001","19.911","0.001","78.003","0.006","74.941","0.006","60.07","0.008","2404.4","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H56 Fe P2 -","- C61 H56 Fe P2 -","- C122 H112 Fe2 P4 -","2","1","","Green, Katy; Gauthier, Nicolas; Sahnoune, Hiba; Argouarch, Gilles; Toupet, Loic; Costuas, Karine; Bondon, Arnaud; Fabre, Bruno; Halet, Jean-François; Paul, Frédéric","Synthesis and Characterization of Redox-Active Mononuclear Fe(κ2-dppe)(η5-C5Me5)-Terminated π-Conjugated Wires","Organometallics","2013","32","15","4366","","10.1021/om400515g","","","0.71073","MoKα","","0.0945","0.0484","","","0.1109","0.1204","","","","","","0.88","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081162","15.854","0.002","11.827","0.001","20.138","0.002","90","","103.02","0.01","90","","3678.9","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 Fe P2 -","- C46 H44 Fe P2 -","- C184 H176 Fe4 P8 -","4","1","","Green, Katy; Gauthier, Nicolas; Sahnoune, Hiba; Argouarch, Gilles; Toupet, Loic; Costuas, Karine; Bondon, Arnaud; Fabre, Bruno; Halet, Jean-François; Paul, Frédéric","Synthesis and Characterization of Redox-Active Mononuclear Fe(κ2-dppe)(η5-C5Me5)-Terminated π-Conjugated Wires","Organometallics","2013","32","15","4366","","10.1021/om400515g","","","0.71069","MoKα","","0.0615","0.0344","","","0.0836","0.0899","","","","","","0.942","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081163","10.474","0.0003","28.8106","0.0008","14.2239","0.0005","90","","107.631","0.003","90","","4090.6","0.2","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 F6 Fe P3 -","- C46 H44 F6 Fe P3 -","- C184 H176 F24 Fe4 P12 -","4","1","","Green, Katy; Gauthier, Nicolas; Sahnoune, Hiba; Argouarch, Gilles; Toupet, Loic; Costuas, Karine; Bondon, Arnaud; Fabre, Bruno; Halet, Jean-François; Paul, Frédéric","Synthesis and Characterization of Redox-Active Mononuclear Fe(κ2-dppe)(η5-C5Me5)-Terminated π-Conjugated Wires","Organometallics","2013","32","15","4366","","10.1021/om400515g","","","0.71073","MoKα","","0.1009","0.0436","","","0.0705","0.0788","","","","","","0.838","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081164","12.0593","0.0006","12.1932","0.0006","15.1394","0.0006","73.275","0.003","71.201","0.004","63.015","0.005","1851.3","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H46 Fe P2 -","- C46 H46 Fe P2 -","- C92 H92 Fe2 P4 -","2","1","","Green, Katy; Gauthier, Nicolas; Sahnoune, Hiba; Argouarch, Gilles; Toupet, Loic; Costuas, Karine; Bondon, Arnaud; Fabre, Bruno; Halet, Jean-François; Paul, Frédéric","Synthesis and Characterization of Redox-Active Mononuclear Fe(κ2-dppe)(η5-C5Me5)-Terminated π-Conjugated Wires","Organometallics","2013","32","15","4366","","10.1021/om400515g","","","0.71069","MoKα","","0.055","0.0343","","","0.0935","0.1026","","","","","","1.024","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081165","16.0959","0.0006","22.1378","0.0008","14.82","0.0007","90","","110.149","0.003","90","","4957.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H64 Fe P2 Si -","- C55 H64 Fe P2 Si -","- C220 H256 Fe4 P8 Si4 -","4","1","","Green, Katy; Gauthier, Nicolas; Sahnoune, Hiba; Argouarch, Gilles; Toupet, Loic; Costuas, Karine; Bondon, Arnaud; Fabre, Bruno; Halet, Jean-François; Paul, Frédéric","Synthesis and Characterization of Redox-Active Mononuclear Fe(κ2-dppe)(η5-C5Me5)-Terminated π-Conjugated Wires","Organometallics","2013","32","15","4366","","10.1021/om400515g","","","0.71073","MoKα","","0.1183","0.0588","","","0.1721","0.1911","","","","","","0.862","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081166","11.9231","0.0004","21.4567","0.0007","16.4439","0.0006","90","","97.744","0.003","90","","4168.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H52 Fe P2 Si -","- C49 H52 Fe P2 Si -","- C196 H208 Fe4 P8 Si4 -","4","1","","Green, Katy; Gauthier, Nicolas; Sahnoune, Hiba; Argouarch, Gilles; Toupet, Loic; Costuas, Karine; Bondon, Arnaud; Fabre, Bruno; Halet, Jean-François; Paul, Frédéric","Synthesis and Characterization of Redox-Active Mononuclear Fe(κ2-dppe)(η5-C5Me5)-Terminated π-Conjugated Wires","Organometallics","2013","32","15","4366","","10.1021/om400515g","","","0.71073","MoKα","","0.0791","0.0415","","","0.0992","0.1075","","","","","","0.892","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081167","25.138","0.009","8.419","0.003","20.378","0.007","90","","97.56","0.006","90","","4275","3","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H72 Li4 O4 -","- C40 H72 Li4 O4 -","- C160 H288 Li16 O16 -","4","0.5","","Zhang, Shaoguang; Zhan, Ming; Zhang, Wen-Xiong; Xi, Zhenfeng","3-D Brick-Wall Polymeric Structure of TMEDA-Supported 1,4-Dilithio-1,3-Butadiene","Organometallics","2013","32","14","4020","","10.1021/om400531h","","","0.71073","MoKα","","0.1589","0.1168","","","0.223","0.2453","","","","","","1.18","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081168","17.806","0.003","17.806","0.003","12.312","0.003","90","","90","","90","","3903.6","1.3","173","2","173.15","","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C9 H18 Li N -","- C9 H18 Li N -","- C144 H288 Li16 N16 -","16","","","Zhang, Shaoguang; Zhan, Ming; Zhang, Wen-Xiong; Xi, Zhenfeng","3-D Brick-Wall Polymeric Structure of TMEDA-Supported 1,4-Dilithio-1,3-Butadiene","Organometallics","2013","32","14","4020","","10.1021/om400531h","","","0.71073","MoKα","","0.1005","0.0795","","","0.1883","0.2048","","","","","","1.074","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081169","24.4685","0.0008","6.5425","0.0002","25.8504","0.0008","90","","93.07","0.003","90","","4132.3","0.2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 F6 N8 O12 Ru2 S2 -","- C32 H38 F6 N8 O12 Ru2 S2 -","- C128 H152 F24 N32 O48 Ru8 S8 -","4","0.5","","Cabeza, Javier A.; Damonte, Marina; García-Álvarez, Pablo; Pérez-Carre Enrique","Reactivity of a (Bis-NHC)tricarbonylruthenium(0) Complex with Methyl Triflate and Methyl Iodide. Formation of Methyl- and Acetylruthenium(II) Derivatives: Experimental Results and Mechanistic DFT Calculations","Organometallics","2013","32","15","4382","","10.1021/om400534n","","","1.5418","CuKα","","0.0368","0.0338","","","0.0921","0.0942","","","","","","1.088","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081170","10.6317","0.0002","8.7517","0.0002","22.982","0.0003","90","","96.62","0.002","90","","2124.11","0.07","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl2 I N4 O3 Ru -","- C16 H21 Cl2 I N4 O3 Ru -","- C64 H84 Cl8 I4 N16 O12 Ru4 -","4","1","","Cabeza, Javier A.; Damonte, Marina; García-Álvarez, Pablo; Pérez-Carre Enrique","Reactivity of a (Bis-NHC)tricarbonylruthenium(0) Complex with Methyl Triflate and Methyl Iodide. Formation of Methyl- and Acetylruthenium(II) Derivatives: Experimental Results and Mechanistic DFT Calculations","Organometallics","2013","32","15","4382","","10.1021/om400534n","","","1.5418","","","0.0387","0.0319","","","0.081","0.0854","","","","","","1.032","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081171","20.425","0.007","8.297","0.003","16.095","0.005","90","","104.576","0.006","90","","2639.8","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl N2 Ru -","- C28 H33 Cl N2 Ru -","- C112 H132 Cl4 N8 Ru4 -","4","1","","Li, Junfei; Kuai, Wenying; Liu, Weiping; Zheng, Wenjun","A Sandwich Zwitterionic Ruthenium Complex Bearing a Cyanamido Group","Organometallics","2013","32","15","4050","","10.1021/om400547r","","","0.71073","MoKα","","0.0504","0.035","","","0.0853","0.0978","","","","","","1.014","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081172","9.54","0.002","13.715","0.003","20.963","0.005","90","","100.53","0.005","90","","2696.6","1","263","2","263","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N5 Ru -","- C28 H33 N5 Ru -","- C112 H132 N20 Ru4 -","4","1","","Li, Junfei; Kuai, Wenying; Liu, Weiping; Zheng, Wenjun","A Sandwich Zwitterionic Ruthenium Complex Bearing a Cyanamido Group","Organometallics","2013","32","15","4050","","10.1021/om400547r","","","0.71073","MoKα","","0.1156","0.065","","","0.1232","0.1424","","","","","","1.03","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081173","12.466","0.001","13.835","0.001","18.8667","0.0014","90","","92.712","0.001","90","","3250.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H42 N4 Ru -","- C37 H42 N4 Ru -","- C148 H168 N16 Ru4 -","4","1","","Li, Junfei; Kuai, Wenying; Liu, Weiping; Zheng, Wenjun","A Sandwich Zwitterionic Ruthenium Complex Bearing a Cyanamido Group","Organometallics","2013","32","15","4050","","10.1021/om400547r","","","0.71073","MoKα","","0.0374","0.0274","","","0.0636","0.0691","","","","","","0.947","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081174","7.665","0.002","15.556","0.004","14.245","0.004","90","","99.36","0.004","90","","1675.9","0.8","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H24 N2 Ru -","- C19 H24 N2 Ru -","- C76 H96 N8 Ru4 -","4","1","","Li, Junfei; Kuai, Wenying; Liu, Weiping; Zheng, Wenjun","A Sandwich Zwitterionic Ruthenium Complex Bearing a Cyanamido Group","Organometallics","2013","32","15","4050","","10.1021/om400547r","","","0.71073","MoKα","","0.0168","0.0161","","","0.0359","0.0362","","","","","","1.271","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081175","25.812","0.001","11.3346","0.0004","27.0778","0.0012","90","","111.925","0.005","90","","7349.1","0.6","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H34 Cl2 N4 O11 Ru S3 -","- C31 H34 Cl2 N4 O11 Ru S3 -","- C248 H272 Cl16 N32 O88 Ru8 S24 -","8","1","","Chung, Lai-Hon; Wong, Chun-Yuen","Isolation of Ruthenium‒Indolizine Complexes: Insight into the Metal-Induced Cycloisomerization of Propargylic Pyridines","Organometallics","2013","32","13","3583","","10.1021/om400550w","","","1.54178","CuKα","","0.0269","0.0259","","","0.065","0.0657","","","","","","1.076","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081176","10.3611","0.0006","13.6283","0.0006","13.9333","0.0007","88.104","0.004","68.385","0.005","74.149","0.004","1754.52","0.17","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H33 Cl2 N5 O11 Ru S3 -","- C30 H33 Cl2 N5 O11 Ru S3 -","- C60 H66 Cl4 N10 O22 Ru2 S6 -","2","1","","Chung, Lai-Hon; Wong, Chun-Yuen","Isolation of Ruthenium‒Indolizine Complexes: Insight into the Metal-Induced Cycloisomerization of Propargylic Pyridines","Organometallics","2013","32","13","3583","","10.1021/om400550w","","","1.54178","CuKα","","0.0242","0.0234","","","0.0571","0.0575","","","","","","1.069","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081177","10.9014","0.0004","11.0991","0.0004","13.7955","0.0006","75.391","0.004","69.687","0.004","78.302","0.003","1502.53","0.11","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H31 Cl N2 O5 Ru S3 -","- C31 H31 Cl N2 O5 Ru S3 -","- C62 H62 Cl2 N4 O10 Ru2 S6 -","2","1","","Chung, Lai-Hon; Wong, Chun-Yuen","Isolation of Ruthenium‒Indolizine Complexes: Insight into the Metal-Induced Cycloisomerization of Propargylic Pyridines","Organometallics","2013","32","13","3583","","10.1021/om400550w","","","1.54178","CuKα","","0.0318","0.0309","","","0.0815","0.0823","","","","","","1.029","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081178","14.582","0.001","6.574","0.001","16.592","0.002","90","","124.073","0.006","90","","1317.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N O5 S2 -","- C10 H16 N O5 S2 -","- C40 H64 N4 O20 S8 -","4","1","","Voronova, Krisztina; Purgel, Mihály; Udvardy, Antal; Bényei, Attila C.; Kathó, Ágnes; Joó, Ferenc","Hydrogenation and Redox Isomerization of Allylic Alcohols Catalyzed by a New Water-Soluble Pd‒tetrahydrosalen Complex","Organometallics","2013","32","15","4391","","10.1021/om400555u","","","0.71073","MoKα","","0.2265","0.0864","","","","0.2258","","","","","","1.042","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081179","40.922","0.003","12.8637","0.001","14.6334","0.0012","90","","101.358","0.001","90","","7552.3","1","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H42 Cl F6 Ir O P2 -","- C39 H42 Cl F6 Ir O P2 -","- C312 H336 Cl8 F48 Ir8 O8 P16 -","8","1","","Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.; Hermida-Ramón, J. M.","Nucleophilic Attack in Methoxycarbenes: Heterolytic Cleavage of the Carbon (sp3)‒Oxygen Bond versus Aminolysis","Organometallics","2013","32","15","4402","","10.1021/om400565c","","","0.71073","MoKα","","0.0703","0.0348","","","0.0727","0.0883","","","","","","1.044","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081180","11.9619","0.0008","12.514","0.0008","18.5316","0.0012","73.836","0.001","87.839","0.001","72.019","0.001","2530.7","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H59 B Ir O P -","- C62 H59 B Ir O P -","- C124 H118 B2 Ir2 O2 P2 -","2","1","","Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.; Hermida-Ramón, J. M.","Nucleophilic Attack in Methoxycarbenes: Heterolytic Cleavage of the Carbon (sp3)‒Oxygen Bond versus Aminolysis","Organometallics","2013","32","15","4402","","10.1021/om400565c","","","0.71073","MoKα","","0.0401","0.0294","","","0.06","0.0647","","","","","","1.003","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081181","11.90299","0.00005","19.06264","0.00008","22.67018","0.0001","90","","90","","90","","5143.92","0.04","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C63 H64 N P3 Ru Si -","- C63 H64 N P3 Ru Si -","- C252 H256 N4 P12 Ru4 Si4 -","4","1","","Scherl, Peter; Wadepohl, Hubert; Gade, Lutz H.","Hydrogenation and Silylation of a Double-Cyclometalated Ruthenium Complex: Structures and Dynamic Behavior of Hydrido and Hydridosilicate Ruthenium Complexes","Organometallics","2013","32","15","4409","","10.1021/om400574a","","x-ray","0.7107","MoKα","","0.0274","0.0243","","","0.0547","0.0553","","","","","","1.049","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081182","8.2146","0.0005","19.3109","0.0012","14.5979","0.0012","90","","90.75","0.007","90","","2315.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H41 Li N4 Si -","- C18 H41 Li N4 Si -","- C72 H164 Li4 N16 Si4 -","4","1","","Day, Benjamin M.; Clayden, Jonathan; Layfield, Richard A.","Structural Influences in Lithium Pentadienylsilane Complexes","Organometallics","2013","32","15","4448","","10.1021/om400596y","","","0.71073","MoKα","","0.0918","0.0526","","","0.1202","0.1421","","","","","","1.039","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081183","8.0142","0.0003","12.4095","0.0004","15.2613","0.0004","100.332","0.003","101.726","0.002","94.214","0.003","1452.45","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H52 Li N5 Si2 -","- C22 H52 Li N5 Si2 -","- C44 H104 Li2 N10 Si4 -","2","1","","Day, Benjamin M.; Clayden, Jonathan; Layfield, Richard A.","Structural Influences in Lithium Pentadienylsilane Complexes","Organometallics","2013","32","15","4448","","10.1021/om400596y","","","1.5418","CuKα","","0.0631","0.0528","","","0.1428","0.1512","","","","","","1.037","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081184","12.9966","0.0006","15.1948","0.0007","17.7641","0.0008","112.089","0.002","91.984","0.002","112.3","0.002","2942.4","0.2","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C90 H84 Ag2 Cl16 F18 N8 O18 P4 S6 -","- C90 H84 Ag2 Cl16 F18 N8 O18 P4 S6 -","- C90 H84 Ag2 Cl16 F18 N8 O18 P4 S6 -","1","0.5","","Canac, Yves; Bijani, Christian; Duhayon, Carine; Chauvin, Remi","Electrostatic Control of Pd2+→Ag+Transmetalation of a Bis-Imidazoliophosphine Ligand","Organometallics","2013","32","15","4054","","10.1021/om400602a","","","0.71073","MoKα","","0.0738","0.0469","","0.0802","0.0537","0.0512","","","","","","1.0774","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081185","9.233","0.0013","12.9405","0.0019","14.769","0.002","90","","90","","90","","1764.6","0.4","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Cl3 Cr N4 S -","- C13 H20 Cl3 Cr N4 S -","- C52 H80 Cl12 Cr4 N16 S4 -","4","1","","Zhang, Jun; Braunstein, Pierre; Hor, T. S. Andy","Correction to Highly Efficient and Selective Chromium(III) Ethylene Trimerization Catalysts with [NON] and [NSN] Heteroscorpionate Ligands","Organometallics","2013","32","15","4456","","10.1021/om4006033","","","0.71073","MoKα","","0.0308","0.029","","","0.067","0.0678","","","","","","1.059","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081186","10.053","0.001","16.831","0.0016","13.9668","0.0015","90","","103.847","0.002","90","","2294.5","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Cl3 Cr N5 O -","- C20 H25 Cl3 Cr N5 O -","- C80 H100 Cl12 Cr4 N20 O4 -","4","1","","Zhang, Jun; Braunstein, Pierre; Hor, T. S. Andy","Correction to Highly Efficient and Selective Chromium(III) Ethylene Trimerization Catalysts with [NON] and [NSN] Heteroscorpionate Ligands","Organometallics","2013","32","15","4456","","10.1021/om4006033","","","0.71073","MoKα","","0.076","0.0588","","","0.1186","0.125","","","","","","1.144","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081187","21.2109","0.0012","9.359","0.0005","22.8087","0.0018","90","","114.63","0.003","90","","4115.9","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cl2 N4 O2.5 Ti -","- C18 H22 Cl2 N4 O2.5 Ti -","- C144 H176 Cl16 N32 O20 Ti8 -","8","1","","Go, Min Jeong; Lee, Kang Mun; Oh, Chang Hwa; Kang, Yi Young; Kim, So Han; Park, Hyoung Ryun; Kim, Youngjo; Lee, Junseong","New Titanium Catalysts Containing Tetrazole for Cycloaddition of CO2to Epoxides","Organometallics","2013","32","15","4452","","10.1021/om400605k","","","0.71073","MoKα","","0.101","0.0663","","","0.1369","0.1521","","","","","","1.093","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081188","8.892","0.003","10.099","0.004","12.184","0.004","78.255","0.006","81.217","0.006","66.099","0.006","976.3","0.6","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H21 Cl3 N4 O3 Ti -","- C15 H21 Cl3 N4 O3 Ti -","- C30 H42 Cl6 N8 O6 Ti2 -","2","1","","Go, Min Jeong; Lee, Kang Mun; Oh, Chang Hwa; Kang, Yi Young; Kim, So Han; Park, Hyoung Ryun; Kim, Youngjo; Lee, Junseong","New Titanium Catalysts Containing Tetrazole for Cycloaddition of CO2to Epoxides","Organometallics","2013","32","15","4452","","10.1021/om400605k","","","0.71073","MoKα","","0.1653","0.0663","","","0.1405","0.1766","","","","","","1.016","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081189","9.5039","0.0011","11.2188","0.0013","15.1921","0.0018","74.185","0.005","80.789","0.006","72.892","0.005","1483.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H26 Cl2 N8 O4 Ti -","- C22 H26 Cl2 N8 O4 Ti -","- C44 H52 Cl4 N16 O8 Ti2 -","2","1","","Go, Min Jeong; Lee, Kang Mun; Oh, Chang Hwa; Kang, Yi Young; Kim, So Han; Park, Hyoung Ryun; Kim, Youngjo; Lee, Junseong","New Titanium Catalysts Containing Tetrazole for Cycloaddition of CO2to Epoxides","Organometallics","2013","32","15","4452","","10.1021/om400605k","","","0.71073","MoKα","","0.21","0.0957","","","0.2183","0.2443","","","","","","1.025","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081190","10.9541","0.0007","18.4541","0.0013","16.5285","0.0011","90","","93.151","0.002","90","","3336.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Al2 I6 O2 P -","- C22 H21 Al2 I6 O2 P -","- C88 H84 Al8 I24 O8 P4 -","4","1","","Ménard, Gabriel; Gilbert, Thomas M.; Hatnean, Jillian A.; Kraft, Anne; Krossing, Ingo; Stephan, Douglas W.","Stoichiometric Reduction of CO2to CO by Phosphine/AlX3-Based Frustrated Lewis Pairs","Organometallics","2013","32","15","4416","","10.1021/om400619y","","","0.71073","MoKα","","0.0371","0.0308","","","0.0734","0.0765","","","","","","1.028","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4081191","10.8523","0.0013","13.0808","0.0016","14.0173","0.0018","90","","109.453","0.003","90","","1876.3","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 Al F15 O2 -","- C19 Al F15 O2 -","- C76 Al4 F60 O8 -","4","1","","Ménard, Gabriel; Gilbert, Thomas M.; Hatnean, Jillian A.; Kraft, Anne; Krossing, Ingo; Stephan, Douglas W.","Stoichiometric Reduction of CO2to CO by Phosphine/AlX3-Based Frustrated Lewis Pairs","Organometallics","2013","32","15","4416","","10.1021/om400619y","","","0.71073","MoKα","","0.0692","0.0393","","","0.0917","0.1036","","","","","","1.021","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081192","16.566","0.002","7.4086","0.0009","24.971","0.003","90","","107.62","0.005","90","","2920.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H10 Al Br2 F15 -","- C30 H10 Al Br2 F15 -","- C120 H40 Al4 Br8 F60 -","4","1","","Ménard, Gabriel; Gilbert, Thomas M.; Hatnean, Jillian A.; Kraft, Anne; Krossing, Ingo; Stephan, Douglas W.","Stoichiometric Reduction of CO2to CO by Phosphine/AlX3-Based Frustrated Lewis Pairs","Organometallics","2013","32","15","4416","","10.1021/om400619y","","","0.71073","MoKα","","0.0485","0.0302","","","0.0627","0.0682","","","","","","1.008","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081193","13.5607","0.001","17.0003","0.0013","18.6463","0.0014","96.3","0.004","100.964","0.004","100.812","0.004","4097.9","0.5","150","","149.95","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 Al F27 O5 P -","- C34 H21 Al F27 O5 P -","- C136 H84 Al4 F108 O20 P4 -","4","2","","Ménard, Gabriel; Gilbert, Thomas M.; Hatnean, Jillian A.; Kraft, Anne; Krossing, Ingo; Stephan, Douglas W.","Stoichiometric Reduction of CO2to CO by Phosphine/AlX3-Based Frustrated Lewis Pairs","Organometallics","2013","32","15","4416","","10.1021/om400619y","","x-ray","0.71073","MoKα","K-L~3~","0.1438","0.0658","","","0.1433","0.18","","","","","","1.014","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4081194","12.311","0.001","28.404","0.002","19.4605","0.0017","90","","106.425","0.0011","90","","6527.3","0.9","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H36 N O2.5 P Pd S -","- C37 H36 N O2.5 P Pd S -","- C296 H288 N8 O20 P8 Pd8 S8 -","8","2","","Wakioka, Masayuki; Nakamura, Yuki; Hihara, Yoshihiro; Ozawa, Fumiyuki; Sakaki, Shigeyoshi","Factors Controlling the Reactivity of Heteroarenes in Direct Arylation with Arylpalladium Acetate Complexes","Organometallics","2013","32","15","4423","","10.1021/om400636r","","x-ray","0.71075","MoKα","","0.0417","0.0364","","","0.0893","0.0949","","","","","","1.059","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081195","17.479","0.005","15.373","0.005","19.062","0.005","90","","90","","90","","5122","3","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","{CY5[NP]DMP(PPh2)}(K)(THF)","","","- C58 H66 K2 N2 O2 P2 -","- C58 H66 K2 N2 O2 P2 -","- C232 H264 K8 N8 O8 P8 -","4","0.5","","Wambach, Truman C.; Ahn, Jun Myun; Patrick, Brian O.; Fryzuk, Michael D.","Use of the Imine‒Enamine Equilibrium in Cooperative Ligand Design","Organometallics","2013","32","15","4431","","10.1021/om400688v","","","0.71069","MoKα","","0.049","0.041","","","0.1005","0.1072","","","","","","1.015","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081196","10.0087","0.0003","15.381","0.0005","20.2598","0.0005","90","","90.497","0.001","90","","3118.75","0.16","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[CY5[NP]DIPP(PPh2)]Ir(COD)","","","- C37 H45 Ir N P -","- C37 H45 Ir N P -","- C148 H180 Ir4 N4 P4 -","4","1","","Wambach, Truman C.; Ahn, Jun Myun; Patrick, Brian O.; Fryzuk, Michael D.","Use of the Imine‒Enamine Equilibrium in Cooperative Ligand Design","Organometallics","2013","32","15","4431","","10.1021/om400688v","","","0.71073","MoKα","","0.0293","0.0221","","","0.0471","0.0496","","","","","","1.015","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081197","12.314","0.0004","18.035","0.0006","23.51","0.0009","90","","90","","90","","5221.2","0.3","100","2","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","[CY5(NP)DIPP}Ir(H)3]2","","","- C58 H71 Ir2 N2 P2 -","- C58 H71 Ir2 N2 P2 -","- C232 H284 Ir8 N8 P8 -","4","1","","Wambach, Truman C.; Ahn, Jun Myun; Patrick, Brian O.; Fryzuk, Michael D.","Use of the Imine‒Enamine Equilibrium in Cooperative Ligand Design","Organometallics","2013","32","15","4431","","10.1021/om400688v","","","0.71073","MoKα","","0.0408","0.0285","","","0.0584","0.0634","","","","","","1.03","","","","has coordinates,has disorder","178700","2020-10-21","18:00:00",""
"4081198","8.7","0.005","9.338","0.005","18.565","0.005","81.112","0.005","78.791","0.005","68.378","0.005","1369.7","1.1","173","","173","","","","","","","","","6","P -1","-P 1","2","{CY5[NP]DIPP(PPh2)}Ir(CO)2","","","- C31 H33 Ir N O2 P -","- C31 H33 Ir N O2 P -","- C62 H66 Ir2 N2 O4 P2 -","2","1","","Wambach, Truman C.; Ahn, Jun Myun; Patrick, Brian O.; Fryzuk, Michael D.","Use of the Imine‒Enamine Equilibrium in Cooperative Ligand Design","Organometallics","2013","32","15","4431","","10.1021/om400688v","","","0.71069","MoKα","","0.0181","0.0173","","","0.0445","0.0449","","","","","","1.036","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081199","11.5013","0.0009","18.2927","0.0014","25.65","0.002","90","","97.109","0.001","90","","5355","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H61 B Ir O P -","- C63 H61 B Ir O P -","- C252 H244 B4 Ir4 O4 P4 -","4","1","","Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.; Hermida-Ramón, J. M.","Formation of Indanone from an Iridanaphthalene Complex","Organometallics","2013","32","15","4058","","10.1021/om400702b","","","0.71073","MoKα","","0.0609","0.0355","","","0.0714","0.0784","","","","","","0.966","","","","has coordinates","178700","2020-10-21","18:00:00",""
"4081200","15.4883","0.0011","11.4695","0.0008","19.8124","0.0014","90","","110.297","0.001","90","","3301","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Cl2 F6 Ir O P2 -","- C30 H39 Cl2 F6 Ir O P2 -","- C120 H156 Cl8 F24 Ir4 O4 P8 -","4","1","","Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.; Hermida-Ramón, J. M.","Formation of Indanone from an Iridanaphthalene Complex","Organometallics","2013","32","15","4058","","10.1021/om400702b","","","0.71073","MoKα","","0.0572","0.0315","","","0.0635","0.0725","","","","","","1.039","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081201","13.2756","0.0011","17.7922","0.0015","18.8274","0.0016","90","","96.711","0.002","90","","4416.6","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H57 B Ir O P -","- C53 H57 B Ir O P -","- C212 H228 B4 Ir4 O4 P4 -","4","1","","Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.; Hermida-Ramón, J. M.","Formation of Indanone from an Iridanaphthalene Complex","Organometallics","2013","32","15","4058","","10.1021/om400702b","","","0.71073","MoKα","","0.1099","0.0506","","","0.0923","0.1144","","","","","","0.951","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081202","11.775","0.01","12.771","0.011","18.188","0.016","85.383","0.014","83.328","0.015","80.927","0.014","2677","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H63 B Cl2 Ir O P -","- C64 H63 B Cl2 Ir O P -","- C128 H126 B2 Cl4 Ir2 O2 P2 -","2","1","","Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.; Hermida-Ramón, J. M.","Formation of Indanone from an Iridanaphthalene Complex","Organometallics","2013","32","15","4058","","10.1021/om400702b","","","0.71073","MoKα","","0.2159","0.1347","","","0.2902","0.3219","","","","","","1.012","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081203","22.705","0.01","10.891","0.005","23.811","0.011","90","","117.761","0.005","90","","5210","4","196","2","196","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H62 Mo O3 P4 -","- C59 H62 Mo O3 P4 -","- C236 H248 Mo4 O12 P16 -","4","1","","Zhang, Yuanyuan; Hanna, Brian S.; Dineen, Andrew; Williard, Paul G.; Bernskoetter, Wesley H.","Functionalization of Carbon Dioxide with Ethylene at Molybdenum Hydride Complexes","Organometallics","2013","32","14","3969","","10.1021/om400448m","","","0.71073","MoKα","","0.0809","0.0478","","","0.1081","0.1268","","","","","","1.017","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081204","10.2547","0.0008","25.7194","0.0019","18.7319","0.0013","90","","96.251","0.003","90","","4911.1","0.6","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H59 Cl Mo O P4 -","- C56 H59 Cl Mo O P4 -","- C224 H236 Cl4 Mo4 O4 P16 -","4","1","","Zhang, Yuanyuan; Hanna, Brian S.; Dineen, Andrew; Williard, Paul G.; Bernskoetter, Wesley H.","Functionalization of Carbon Dioxide with Ethylene at Molybdenum Hydride Complexes","Organometallics","2013","32","14","3969","","10.1021/om400448m","","","","","","","","","","","","","","","","","","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081205","9.6512","0.0007","22.4371","0.0013","21.7699","0.0015","90","","97.281","0.002","90","","4676.1","0.5","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H52 Mo O0.5 P4 -","- C60 H52 Mo O0.5 P4 -","- C240 H208 Mo4 O2 P16 -","4","1","","Zhang, Yuanyuan; Hanna, Brian S.; Dineen, Andrew; Williard, Paul G.; Bernskoetter, Wesley H.","Functionalization of Carbon Dioxide with Ethylene at Molybdenum Hydride Complexes","Organometallics","2013","32","14","3969","","10.1021/om400448m","","","","","","","","","","","","","","","","","","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081206","10.79","","14.526","","19.564","","71.58","","82","","79.27","","2847.77","","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H52 O3 P2 Ru Sn -","- C57 H52 O3 P2 Ru Sn -","- C114 H104 O6 P4 Ru2 Sn2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Da Lio, Sebastiano","Preparation and Reactivity of Stannyl Complexes of Ruthenium(II) Stabilized by an Indenyl Ligand","Organometallics","2013","32","13","3651","","10.1021/om400273y","","","0.71073","MoKα","","0.0742","0.0401","","","0.0958","0.1069","","","","","","0.978","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081207","20.9107","0.0017","14.9193","0.0012","25.726","0.002","90","","99.978","0.002","90","","7904.4","1.1","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C66 H80 O12 P4 Ru2 Sn2 -","- C66 H80 O12 P4 Ru2 Sn2 -","- C264 H320 O48 P16 Ru8 Sn8 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Da Lio, Sebastiano","Preparation and Reactivity of Stannyl Complexes of Ruthenium(II) Stabilized by an Indenyl Ligand","Organometallics","2013","32","13","3651","","10.1021/om400273y","","","0.71073","MoKα","","0.0968","0.047","","","0.1113","0.1257","","","","","","1.015","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081208","9.8392","0.0002","17.8601","0.0004","13.596","0.0003","90","","95.767","0.002","90","","2377.12","0.09","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2Z,3Z)-3-ethoxy-2-[2-(2,4-dinitrophenyl)hidrazono]-4-(4-methoxyphenyl)-1-phenylbut-3-en-1-one","","- C25 H22 N4 O7 -","- C25 H22 N4 O7 -","- C100 H88 N16 O28 -","4","1","","Flores-Conde, María Inés; Vázquez, Miguel Angel; Reyes, Leonor; Tamariz, Joaquín; Delgado, Francisco","Unprecedented Synthesis of 3-Alkenyl-3-ethoxy-2-iminoketones via 1,3-Dipolar Cycloadditions of Nitrones with Alkynyl Fischer Carbene Complexes","Organometallics","2013","32","15","4244","","10.1021/om400420c","","","0.71073","MoKα","","0.0958","0.0633","","","0.1642","0.1796","","","","","","0.948","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081209","16.2808","0.0003","8.12747","0.00015","18.6716","0.0004","90","","90.6167","0.0017","90","","2470.51","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl4 F4 P Pd -","- C22 H17 Cl4 F4 P Pd -","- C88 H68 Cl16 F16 P4 Pd4 -","4","1","","Gioria, Estefanía; Martínez-Ilarduya, Jesús M.; García-Cuadrado, Domingo; Miguel, Jesús A.; Genov, Miroslav; Espinet, Pablo","Phosphines with Tethered Electron-Withdrawing Olefins as Ligands for Efficient Pd-Catalyzed Aryl-Alkyl Coupling","Organometallics","2013","32","15","4255","","10.1021/om4004303","","","0.71073","MoKα","","0.0396","0.0293","","","0.0739","0.0768","","","","","","1.075","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081210","14.6534","0.0006","12.7998","0.0003","14.6608","0.0006","90","","118.328","0.005","90","","2420.49","0.19","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 Cl2 F4 O P Pd -","- C27 H17 Cl2 F4 O P Pd -","- C108 H68 Cl8 F16 O4 P4 Pd4 -","4","1","","Gioria, Estefanía; Martínez-Ilarduya, Jesús M.; García-Cuadrado, Domingo; Miguel, Jesús A.; Genov, Miroslav; Espinet, Pablo","Phosphines with Tethered Electron-Withdrawing Olefins as Ligands for Efficient Pd-Catalyzed Aryl-Alkyl Coupling","Organometallics","2013","32","15","4255","","10.1021/om4004303","","","0.71073","MoKα","","0.046","0.0319","","","0.0669","0.0707","","","","","","1.024","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081211","7.4163","0.0011","9.9658","0.0006","12.6465","0.0019","92.188","0.008","99.326","0.013","104.527","0.009","889.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl4 F6 P2 Pd2 -","- C32 H28 Cl4 F6 P2 Pd2 -","- C32 H28 Cl4 F6 P2 Pd2 -","1","0.5","","Gioria, Estefanía; Martínez-Ilarduya, Jesús M.; García-Cuadrado, Domingo; Miguel, Jesús A.; Genov, Miroslav; Espinet, Pablo","Phosphines with Tethered Electron-Withdrawing Olefins as Ligands for Efficient Pd-Catalyzed Aryl-Alkyl Coupling","Organometallics","2013","32","15","4255","","10.1021/om4004303","","","0.71073","MoKα","","0.1004","0.0546","","","0.1224","0.154","","","","","","1.024","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081212","11.0505","0.0002","19.4514","0.0003","11.6614","0.0002","90","","107.31","0.002","90","","2393.06","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H34 Cl2 F8 O2 P2 Pd -","- C54 H34 Cl2 F8 O2 P2 Pd -","- C108 H68 Cl4 F16 O4 P4 Pd2 -","2","0.5","","Gioria, Estefanía; Martínez-Ilarduya, Jesús M.; García-Cuadrado, Domingo; Miguel, Jesús A.; Genov, Miroslav; Espinet, Pablo","Phosphines with Tethered Electron-Withdrawing Olefins as Ligands for Efficient Pd-Catalyzed Aryl-Alkyl Coupling","Organometallics","2013","32","15","4255","","10.1021/om4004303","","","0.71073","MoKα","","0.0593","0.0407","","","0.0761","0.0899","","","","","","1.107","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081213","11.654","0.003","18.836","0.005","12.897","0.004","90","","92.46","0.005","90","","2828.5","1.4","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Ge O2 Si W -","- C29 H34 Ge O2 Si W -","- C116 H136 Ge4 O8 Si4 W4 -","4","1","","Sakaba, Hiroyuki; Arai, Yasuhiro; Suganuma, Kensei; Kwon, Eunsang","Synthesis, Structure, and Reactivity of Tungsten Acetylide‒Germylene Complexes","Organometallics","2013","32","18","5038","","10.1021/om4000264","","","0.7107","MoKα","","","0.0207","","","","0.0516","","","","","","1.106","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081214","19.491","0.005","8.503","0.002","20.556","0.005","90","","114.918","0.004","90","","3089.7","1.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Ge O3 Si W -","- C32 H40 Ge O3 Si W -","- C128 H160 Ge4 O12 Si4 W4 -","4","1","","Sakaba, Hiroyuki; Arai, Yasuhiro; Suganuma, Kensei; Kwon, Eunsang","Synthesis, Structure, and Reactivity of Tungsten Acetylide‒Germylene Complexes","Organometallics","2013","32","18","5038","","10.1021/om4000264","","","0.7107","MoKα","","","0.0247","","","","0.0614","","","","","","1.111","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081215","19.088","0.006","8.558","0.002","20.428","0.006","90","","115.429","0.003","90","","3013.7","1.5","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Ge O3 W -","- C33 H40 Ge O3 W -","- C132 H160 Ge4 O12 W4 -","4","1","","Sakaba, Hiroyuki; Arai, Yasuhiro; Suganuma, Kensei; Kwon, Eunsang","Synthesis, Structure, and Reactivity of Tungsten Acetylide‒Germylene Complexes","Organometallics","2013","32","18","5038","","10.1021/om4000264","","","0.7107","MoKα","","","0.0456","","","","0.183","","","","","","1.177","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081216","33.805","0.003","14.2517","0.001","18.5822","0.0013","90","","104.291","0.007","90","","8675.5","1.2","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H44 Ge N2 O2 W -","- C39.5 H42.5 Ge N2 O2 W -","- C316 H340 Ge8 N16 O16 W8 -","8","2","","Sakaba, Hiroyuki; Arai, Yasuhiro; Suganuma, Kensei; Kwon, Eunsang","Synthesis, Structure, and Reactivity of Tungsten Acetylide‒Germylene Complexes","Organometallics","2013","32","18","5038","","10.1021/om4000264","","","0.71075","MoKα","","","0.0597","","","","0.1637","","","","","","1.056","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081217","8.891","0.002","21.239","0.005","18.458","0.005","90","","93.292","0.004","90","","3479.8","1.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 Ge O3 W -","- C34 H44 Ge O3 W -","- C136 H176 Ge4 O12 W4 -","4","1","","Sakaba, Hiroyuki; Arai, Yasuhiro; Suganuma, Kensei; Kwon, Eunsang","Synthesis, Structure, and Reactivity of Tungsten Acetylide‒Germylene Complexes","Organometallics","2013","32","18","5038","","10.1021/om4000264","","","0.7107","MoKα","","","0.0406","","","","0.1288","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081218","11.642","0.003","16.426","0.004","20.173","0.004","111.577","0.003","91.174","0.003","100.128","0.003","3516.2","1.4","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 Cl P Ru Si3 -","- C30 H48 Cl P Ru Si3 -","- C120 H192 Cl4 P4 Ru4 Si12 -","4","2","","Kwan Huang, Enrique; Cheung, Wai-Man; Chan, Sharon Lai-Fung; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung","Synthesis, Structure, and Reactivity of Trigonal Bipyramidal Ruthenium(IV) Trialkyl Complexes","Organometallics","2013","32","16","4483","","10.1021/om400183n","","","0.71073","MoKα","","0.1153","0.0519","","","0.0887","0.0968","","","","","","1.03","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081219","11.7289","0.0001","18.1582","0.0003","20.2285","0.0003","90","","93.083","0.001","90","","4301.94","0.1","173","","173","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H58 F3 O4 P Ru S Si3 -","- C35 H58 F3 O4 P Ru S Si3 -","- C140 H232 F12 O16 P4 Ru4 S4 Si12 -","4","1","","Kwan Huang, Enrique; Cheung, Wai-Man; Chan, Sharon Lai-Fung; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung","Synthesis, Structure, and Reactivity of Trigonal Bipyramidal Ruthenium(IV) Trialkyl Complexes","Organometallics","2013","32","16","4483","","10.1021/om400183n","","x-ray","1.5418","CuKα","","0.0771","0.0696","","","0.1879","0.1969","","","","","","1.028","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081220","20.1717","0.0008","19.8722","0.0007","20.4513","0.0007","90","","96.252","0.004","90","","8149.3","0.5","173","0.14","173","0.14","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C64.5 H96 N2 O0.25 P2 Ru2 S2 Si6 -","- C64.5 H96 N2 O0.25 P2 Ru2 S2 Si6 -","- C258 H384 N8 O P8 Ru8 S8 Si24 -","4","1","","Kwan Huang, Enrique; Cheung, Wai-Man; Chan, Sharon Lai-Fung; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung","Synthesis, Structure, and Reactivity of Trigonal Bipyramidal Ruthenium(IV) Trialkyl Complexes","Organometallics","2013","32","16","4483","","10.1021/om400183n","","x-ray","1.5418","CuKα","","0.0917","0.0607","","","0.1409","0.1583","","","","","","1.008","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081221","8.104","0.0008","10.5219","0.001","17.9803","0.0017","77.723","0.001","79.313","0.001","85.675","0.001","1471.1","0.2","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H33 F4 O P Ru Si -","- C30 H33 F4 O P Ru Si -","- C60 H66 F8 O2 P2 Ru2 Si2 -","2","1","","Kwan Huang, Enrique; Cheung, Wai-Man; Chan, Sharon Lai-Fung; Sung, Herman H. Y.; Williams, Ian D.; Leung, Wa-Hung","Synthesis, Structure, and Reactivity of Trigonal Bipyramidal Ruthenium(IV) Trialkyl Complexes","Organometallics","2013","32","16","4483","","10.1021/om400183n","","x-ray","0.71073","MoKα","","0.035","0.0306","","","0.079","0.0813","","","","","","1.007","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081222","9.7198","0.0004","19.8473","0.0008","20.3583","0.0008","90.707","0.002","91.357","0.001","96.754","0.001","3898.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Dodecamethyl-4-(trimethylsilyl)-1-(dimethylphenylsilyl)bicyclo[2.2.2]octasilane","","- C23 H56 Si10 -","- C23 H56 Si10 -","- C92 H224 Si40 -","4","2","","Stueger, Harald; Hasken, Bernd; Gross, Uwe; Fischer, Roland; Torvisco Gomez, Ana","Synthesis and Properties of Bridgehead-Functionalized Permethylbicyclo[2.2.2]octasilanes.","Organometallics","2013","32","16","4490","4500","10.1021/om400184y","","","0.71073","MoKα","","0.0576","0.0334","","","0.0776","0.0909","","","","","","1.063","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081223","17.2861","0.0004","27.2812","0.0006","17.5884","0.0004","90","","90","","90","","8294.4","0.3","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","Dodecamethyl-4-(trimethylsilyl)-1-(methyldiphenylsilyl)bicyclo[2.2.2]octasilane","","- C28 H58 Si10 -","- C28 H58 Si10 -","- C224 H464 Si80 -","8","2","","Stueger, Harald; Hasken, Bernd; Gross, Uwe; Fischer, Roland; Torvisco Gomez, Ana","Synthesis and Properties of Bridgehead-Functionalized Permethylbicyclo[2.2.2]octasilanes.","Organometallics","2013","32","16","4490","4500","10.1021/om400184y","","","0.71073","MoKα","","0.0521","0.0364","","","0.0806","0.0884","","","","","","1.055","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081224","11.832","0.0005","15.4908","0.0005","22.9089","0.0011","90","","96.742","0.002","90","","4169.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(Ferrocenyldimethylsilyl)dodecamethyl-4-(trimethylsilyl)bicyclo[2.2.2]octasilane","","- C27 H60 Fe Si10 -","- C27 H60 Fe Si10 -","- C108 H240 Fe4 Si40 -","4","1","","Stueger, Harald; Hasken, Bernd; Gross, Uwe; Fischer, Roland; Torvisco Gomez, Ana","Synthesis and Properties of Bridgehead-Functionalized Permethylbicyclo[2.2.2]octasilanes.","Organometallics","2013","32","16","4490","4500","10.1021/om400184y","","","0.71073","MoKα","","0.0625","0.0399","","","0.0955","0.1108","","","","","","1.081","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081225","17.3627","0.0017","10.7968","0.0011","17.9881","0.0019","90","","106.455","0.003","90","","3234","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Acyl-4-(trimethylsilyl)dodecamethylbicyclo[2.2.2]octasilane","","- C17 H48 O Si9 -","- C17 H48 O Si9 -","- C68 H192 O4 Si36 -","4","1","","Stueger, Harald; Hasken, Bernd; Gross, Uwe; Fischer, Roland; Torvisco Gomez, Ana","Synthesis and Properties of Bridgehead-Functionalized Permethylbicyclo[2.2.2]octasilanes.","Organometallics","2013","32","16","4490","4500","10.1021/om400184y","","","0.71073","MoKα","","0.0921","0.0484","","","0.1015","0.1184","","","","","","1.022","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081226","17.32","0.017","10.787","0.011","18.2","0.019","90","","105.76","0.02","90","","3272","6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-Methylcarboxy-4-(trimethylsilyl)dodecamethylbicyclo[2.2.2]octasilane","","- C17 H48 O2 Si9 -","- C17 H48 O2 Si9 -","- C68 H192 O8 Si36 -","4","1","","Stueger, Harald; Hasken, Bernd; Gross, Uwe; Fischer, Roland; Torvisco Gomez, Ana","Synthesis and Properties of Bridgehead-Functionalized Permethylbicyclo[2.2.2]octasilanes.","Organometallics","2013","32","16","4490","4500","10.1021/om400184y","","","0.71073","MoKα","","0.0447","0.0284","","","0.0618","0.0696","","","","","","1.064","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081227","9.7433","0.0014","10.3424","0.0014","22.04","0.003","66.895","0.007","90.051","0.007","65.335","0.008","1820.1","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Dodecamethyl-4-trimethylsilylbicyclo[2,2,2]octasilanyl-1-carboxylic acid","","- C19 H54 O3 Si9 -","- C19 H54 O3 Si9 -","- C38 H108 O6 Si18 -","2","1","","Stueger, Harald; Hasken, Bernd; Gross, Uwe; Fischer, Roland; Torvisco Gomez, Ana","Synthesis and Properties of Bridgehead-Functionalized Permethylbicyclo[2.2.2]octasilanes.","Organometallics","2013","32","16","4490","4500","10.1021/om400184y","","","0.71073","MoKα","","0.086","0.0502","","","0.1154","0.1308","","","","","","1.104","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081228","9.653","0.004","13.811","0.004","16.329","0.004","71.78","0.02","85.55","0.02","80.98","0.02","2041.3","1.2","100","2","293","2","","","","","","","","3","P -1","-P 1","2","","Synthesis of 1,4-Bis(dimethylphenylsilyl)dodecamethylbicyclo[2.2.2]octasilane","","- C28 H58 Si10 -","- C28 H58 Si10 -","- C56 H116 Si20 -","2","1","","Stueger, Harald; Hasken, Bernd; Gross, Uwe; Fischer, Roland; Torvisco Gomez, Ana","Synthesis and Properties of Bridgehead-Functionalized Permethylbicyclo[2.2.2]octasilanes.","Organometallics","2013","32","16","4490","4500","10.1021/om400184y","","","0.71073","MoKα","","0.0329","0.0269","","","0.0663","0.0706","","","","","","1.097","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081229","9.7295","0.0005","11.0452","0.0005","21.0052","0.0009","94.983","0.002","96.29","0.002","98.578","0.002","2206.36","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(Ferrocenyldimethylsilyl)-4-(dimethylphenylsilyl)dodecamethylbicyclo[2.2.2]octasilane","","- C32 H62 Fe Si10 -","- C32 H62 Fe Si10 -","- C64 H124 Fe2 Si20 -","2","1","","Stueger, Harald; Hasken, Bernd; Gross, Uwe; Fischer, Roland; Torvisco Gomez, Ana","Synthesis and Properties of Bridgehead-Functionalized Permethylbicyclo[2.2.2]octasilanes.","Organometallics","2013","32","16","4490","4500","10.1021/om400184y","","","0.71073","MoKα","","0.0676","0.0393","","","0.11","0.1361","","","","","","0.947","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081230","11.5357","0.0003","22.0424","0.0002","21.0432","0.0002","90","","116.986","0.001","90","","4768.15","0.15","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H49 B F4 O6 P2 Pd -","- C46 H49 B F4 O6 P2 Pd -","- C184 H196 B4 F16 O24 P8 Pd4 -","4","1","","Hausoul, Peter J. C.; Lutz, Martin; Jastrzebski, Johann T. B. H.; Bruijnincx, Pieter C. A.; Weckhuysen, Bert M.; Klein Gebbink, Robertus J. M.","Mechanistic Study of the Pd/TOMPP-Catalyzed Telomerization of 1,3-Butadiene: Influence of Aromatic Solvents on Bis-Phosphine Complex Formation and Regioselectivity","Organometallics","2013","32","18","5047","","10.1021/om400246a","","","0.71073","MoKα","","0.0452","0.0379","","","0.1012","0.1053","","","","","","1.071","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081231","15.4219","0.0007","12.9147","0.0007","15.6951","0.0008","90","","114.859","0.003","90","","2836.3","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H62 Cl2 Li2 O12 P2 Pd2 S2 -","- C52 H62 Cl2 Li2 O12 P2 Pd2 S2 -","- C104 H124 Cl4 Li4 O24 P4 Pd4 S4 -","2","0.5","","Wucher, Philipp; Goldbach, Verena; Mecking, Stefan","Electronic Influences in Phosphinesulfonato Palladium(II) Polymerization Catalysts","Organometallics","2013","32","16","4516","","10.1021/om400297x","","","0.71073","MoKα","","0.0604","0.0412","","","0.065","0.0688","","","","","","1.069","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081232","14.0244","0.0008","14.7958","0.0008","16.1492","0.0009","90","","116.076","0.004","90","","3009.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 O8 P Pd S2 -","- C25 H31 O8 P Pd S2 -","- C100 H124 O32 P4 Pd4 S8 -","4","1","","Wucher, Philipp; Goldbach, Verena; Mecking, Stefan","Electronic Influences in Phosphinesulfonato Palladium(II) Polymerization Catalysts","Organometallics","2013","32","16","4516","","10.1021/om400297x","","","0.71073","MoKα","","0.0478","0.0322","","","0.0716","0.075","","","","","","1.018","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081233","10.0468","0.0004","14.0673","0.0005","18.2637","0.0008","90","","90.884","0.004","90","","2580.93","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H33 O7 P Pd S2 -","- C22 H33 O7 P Pd S2 -","- C88 H132 O28 P4 Pd4 S8 -","4","1","","Wucher, Philipp; Goldbach, Verena; Mecking, Stefan","Electronic Influences in Phosphinesulfonato Palladium(II) Polymerization Catalysts","Organometallics","2013","32","16","4516","","10.1021/om400297x","","","0.71073","MoKα","","0.0292","0.0231","","","0.0537","0.0551","","","","","","1.034","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081234","14.5693","0.0007","14.7414","0.0008","27.6507","0.0012","90","","95.06","0.004","90","","5915.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl8 O5 P S -","- C22 H19 Cl8 O5 P S -","- C176 H152 Cl64 O40 P8 S8 -","8","1","","Wucher, Philipp; Goldbach, Verena; Mecking, Stefan","Electronic Influences in Phosphinesulfonato Palladium(II) Polymerization Catalysts","Organometallics","2013","32","16","4516","","10.1021/om400297x","","","0.71073","MoKα","","0.0699","0.0483","","","0.1158","0.1235","","","","","","1.059","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081235","15.4772","0.0006","13.2496","0.0005","17.253","0.0007","90","","123.592","0.002","90","","2947.2","0.2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl F6 Li O6 P Pd S -","- C26 H25 Cl F6 Li O6 P Pd S -","- C104 H100 Cl4 F24 Li4 O24 P4 Pd4 S4 -","4","1","","Wucher, Philipp; Goldbach, Verena; Mecking, Stefan","Electronic Influences in Phosphinesulfonato Palladium(II) Polymerization Catalysts","Organometallics","2013","32","16","4516","","10.1021/om400297x","","","0.71073","MoKα","","0.0398","0.0302","","","0.0679","0.0718","","","","","","1.053","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081236","20.498","0.003","11.969","0.003","21.056","0.004","90","","90","","90","","5165.9","1.8","110","2","110","2","","","","","","","","5","C m c a","-C 2ac 2","64","mls_8_54_1","mls_8_54_1","","- C27 H40 N2 O2 Pt -","- C27 H40 N2 O2 Pt -","- C216 H320 N16 O16 Pt8 -","8","","","Scheuermann, Margaret L.; Luedtke, Avery T.; Hanson, Susan K.; Fekl, Ulrich; Kaminsky, Werner; Goldberg, Karen I.","Reactions of Five-Coordinate Platinum(IV) Complexes with Molecular Oxygen","Organometallics","2013","32","17","4752","","10.1021/om4003363","","","0.71073","MoKα","","0.0192","0.0171","","","0.0384","0.039","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081237","9.7826","0.0019","11.383","0.002","18.509","0.004","91.239","0.009","91.586","0.008","90.924","0.01","2059.5","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","MLS_9_052_8","MLS_9_052_8","","- C20 H32 N2 O2 Pt -","- C20 H32 N2 O2 Pt -","- C80 H128 N8 O8 Pt4 -","4","2","","Scheuermann, Margaret L.; Luedtke, Avery T.; Hanson, Susan K.; Fekl, Ulrich; Kaminsky, Werner; Goldberg, Karen I.","Reactions of Five-Coordinate Platinum(IV) Complexes with Molecular Oxygen","Organometallics","2013","32","17","4752","","10.1021/om4003363","","","0.71073","MoKα","","0.0699","0.0456","","","0.0705","0.0776","","","","","","1.026","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081238","11.017","0.0005","11.159","0.0006","17.908","0.0011","73.939","0.002","82.311","0.002","87.392","0.004","2096.5","0.2","130","2","130","2","","","","","","","","5","P -1","-P 1","2","Al_II27","Al_II27","","- C40 H64 N4 O2 Pt2 -","- C40 H64 N4 O2 Pt2 -","- C80 H128 N8 O4 Pt4 -","2","1","","Scheuermann, Margaret L.; Luedtke, Avery T.; Hanson, Susan K.; Fekl, Ulrich; Kaminsky, Werner; Goldberg, Karen I.","Reactions of Five-Coordinate Platinum(IV) Complexes with Molecular Oxygen","Organometallics","2013","32","17","4752","","10.1021/om4003363","","","0.71073","MoKα","","0.1334","0.0536","","","0.0939","0.1159","","","","","","0.9","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081239","22.313","0.004","8.9467","0.0016","14.309","0.002","90","","91.256","0.009","90","","2855.8","0.8","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","mls_8_69_5","mls_8_69_5","","- C59 H92 N4 O2 Pt2 -","- C59 H92 N4 O2 Pt2 -","- C118 H184 N8 O4 Pt4 -","2","0.5","","Scheuermann, Margaret L.; Luedtke, Avery T.; Hanson, Susan K.; Fekl, Ulrich; Kaminsky, Werner; Goldberg, Karen I.","Reactions of Five-Coordinate Platinum(IV) Complexes with Molecular Oxygen","Organometallics","2013","32","17","4752","","10.1021/om4003363","","","0.71073","MoKα","","0.1198","0.0686","","","0.1013","0.1183","","","","","","1.083","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081240","7.3196","0.0004","9.2393","0.0004","13.5606","0.0004","101.279","0.003","90.192","0.003","93.73","0.002","897.34","0.07","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Fe2 O7 P S2 -","- C14 H9 Fe2 O7 P S2 -","- C28 H18 Fe4 O14 P2 S4 -","2","1","","Almazahreh, Laith R.; Apfel, Ulf-Peter; Imhof, Wolfgang; Rudolph, Manfred; Görls, Helmar; Talarmin, Jean; Schollhammer, Philippe; El-khateeb, Mohammad; Weigand, Wolfgang","A Novel [FeFe] Hydrogenase Model with a (SCH2)2P═O Moiety","Organometallics","2013","32","16","4523","","10.1021/om4003544","","","0.71073","MoKα","","0.0632","0.0547","","","0.1317","0.1395","","","","","","1.13","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081241","12.741","0.0004","7.3835","0.0002","10.5054","0.0003","90","","102.665","0.002","90","","964.23","0.05","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cl2 O P -","- C8 H9 Cl2 O P -","- C32 H36 Cl8 O4 P4 -","4","1","","Almazahreh, Laith R.; Apfel, Ulf-Peter; Imhof, Wolfgang; Rudolph, Manfred; Görls, Helmar; Talarmin, Jean; Schollhammer, Philippe; El-khateeb, Mohammad; Weigand, Wolfgang","A Novel [FeFe] Hydrogenase Model with a (SCH2)2P═O Moiety","Organometallics","2013","32","16","4523","","10.1021/om4003544","","","0.71073","MoKα","","0.0665","0.0645","","","0.2207","0.2216","","","","","","1.221","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081242","17.6834","0.0011","13.0394","0.0008","25.5056","0.0016","90","","108.364","0.004","90","","5581.6","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H57 B6 Cl12 Si -","- C51 H57 B6 Cl12 Si -","- C204 H228 B24 Cl48 Si4 -","4","1","","Schäfer, André; Reißmann, Matti; Jung, Sebastian; Schäfer, Annemarie; Saak, Wolfgang; Brendler, Erica; Müller, Thomas","Synthesis of Silylium and Germylium Ions by a Substituent Exchange Reaction","Organometallics","2013","32","","4713","","10.1021/om400366z","","","0.71073","MoKα","","0.1141","0.0852","","","0.1667","0.1789","","","","","","1.11","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081243","12.5998","0.0003","12.5409","0.0002","17.042","0.0003","90","","107.946","0.001","90","","2561.84","0.09","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H36 B12 Cl12 N2 -","- C42 H36 B12 Cl12 N2 -","- C84 H72 B24 Cl24 N4 -","2","0.5","","Schäfer, André; Reißmann, Matti; Jung, Sebastian; Schäfer, Annemarie; Saak, Wolfgang; Brendler, Erica; Müller, Thomas","Synthesis of Silylium and Germylium Ions by a Substituent Exchange Reaction","Organometallics","2013","32","","4713","","10.1021/om400366z","","","0.71073","MoKα","","0.0352","0.0269","","","0.0698","0.0752","","","","","","1.028","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081244","9.015","0.0003","14.1345","0.0005","16.0354","0.0006","92.376","0.002","102.88","0.002","91.992","0.002","1988.12","0.12","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H34 Si -","- C23 H34 Si -","- C92 H136 Si4 -","4","2","","Schäfer, André; Reißmann, Matti; Jung, Sebastian; Schäfer, Annemarie; Saak, Wolfgang; Brendler, Erica; Müller, Thomas","Synthesis of Silylium and Germylium Ions by a Substituent Exchange Reaction","Organometallics","2013","32","","4713","","10.1021/om400366z","","","0.71073","MoKα","","0.1838","0.0613","","","0.1355","0.1874","","","","","","0.981","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081245","35.639","0.0018","35.639","0.0018","9.3223","0.0008","90","","90","","90","","11840.6","1.3","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C71 H61 P4 Ru2 -","- C71 H61 P4 Ru2 -","- C568 H488 P32 Ru16 -","8","1","","Burgun, Alexandre; Gendron, Frédéric; Schauer, Phil A.; Skelton, Brian W.; Low, Paul J.; Costuas, Karine; Halet, Jean-François; Bruce, Michael I.; Lapinte, Claude","Straightforward Access to Tetrametallic Complexes with a Square Array by Oxidative Dimerization of Organometallic Wires","Organometallics","2013","32","18","5015","","10.1021/om4003768","","","0.71073","MoKα","","0.1514","0.0718","","","0.16","0.1915","","","","","","0.943","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081246","17.2467","0.0007","20.2846","0.0007","22.0628","0.0009","98.452","0.003","94.541","0.004","95.517","0.003","7565.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C165 H147 As2 Cl4 F12 P8 Ru4 -","- C165 H147 As2 Cl4 F12 P8 Ru4 -","- C330 H294 As4 Cl8 F24 P16 Ru8 -","2","1","","Burgun, Alexandre; Gendron, Frédéric; Schauer, Phil A.; Skelton, Brian W.; Low, Paul J.; Costuas, Karine; Halet, Jean-François; Bruce, Michael I.; Lapinte, Claude","Straightforward Access to Tetrametallic Complexes with a Square Array by Oxidative Dimerization of Organometallic Wires","Organometallics","2013","32","18","5015","","10.1021/om4003768","","","1.54178","CuKα","","0.1067","0.0767","","","0.205","0.2213","","","","","","1.01","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081247","6.4992","0.0013","11.707","0.002","12.543","0.003","100.5","0.03","102.43","0.03","92.21","0.03","913.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(phenylethynyldimethylsilyl)benzenechromiumtricarbonyl","tricarbonyl[dimethyl(eta6-phenyl)phenylethynylsilane]chromium(0)","","- C19 H16 Cr O3 Si -","- C19 H16 Cr O3 Si -","- C38 H32 Cr2 O6 Si2 -","2","1","","Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard","Transition-Metal Complexes Containing Alkynylsilyl Functionalized η6-Arene Ligands","Organometallics","2013","32","16","4531","","10.1021/om400378s","","","0.71073","MoKα","","0.0376","0.0278","","","0.0728","0.0758","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081248","6.5723","0.0004","10.7124","0.0007","12.6737","0.0008","105.727","0.004","97.734","0.003","94.495","0.003","844.88","0.09","233","2","233","2","","","","","","","","5","P -1","-P 1","2","(propylethynyldimethylsilyl)benzenechromiumtricarbonyl","tricarbonyl[dimethyl(eta6-phenyl)(pent-1-yn-1-yl)silane]chromium(0)","","- C16 H18 Cr O3 Si -","- C16 H18 Cr O3 Si -","- C32 H36 Cr2 O6 Si2 -","2","1","","Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard","Transition-Metal Complexes Containing Alkynylsilyl Functionalized η6-Arene Ligands","Organometallics","2013","32","16","4531","","10.1021/om400378s","","","0.71073","MoKα","","0.0347","0.0267","","","0.0714","0.0746","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081249","7.7741","0.0007","18.4641","0.0016","11.1394","0.0007","90","","99.601","0.003","90","","1576.6","0.2","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[octamethyltetrasilanediyl]bis(benzenechromiumtricarbonyl)","[mu-octamethyl-1,4-bis(eta6-phenyl)-tetrasilane]bis[tricarbonylchromium(0)]","","- C26 H34 Cr2 O6 Si4 -","- C26 H34 Cr2 O6 Si4 -","- C52 H68 Cr4 O12 Si8 -","2","0.5","","Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard","Transition-Metal Complexes Containing Alkynylsilyl Functionalized η6-Arene Ligands","Organometallics","2013","32","16","4531","","10.1021/om400378s","","","0.71073","MoKα","","0.0672","0.0385","","","0.0864","0.0935","","","","","","1.009","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081250","10.8693","0.0003","13.4334","0.0004","25.0323","0.0008","75.765","0.002","89.536","0.002","88.945","0.002","3542.16","0.19","93","2","93","2","","","","","","","","5","P -1","-P 1","2","(phenylethynyldimethylsilyl)benzenemolybdenumtricarbonyl","tricarbonyl[dimethyl(eta6-phenyl)phenylethynylsilane]molybdenum(0)","","- C19 H16 Mo O3 Si -","- C19 H16 Mo O3 Si -","- C152 H128 Mo8 O24 Si8 -","8","4","","Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard","Transition-Metal Complexes Containing Alkynylsilyl Functionalized η6-Arene Ligands","Organometallics","2013","32","16","4531","","10.1021/om400378s","","","0.71073","MoKα","","0.0515","0.0305","","","0.0671","0.0761","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081251","8.3269","0.0003","18.2355","0.0006","8.9612","0.0003","90","","94.83","0.001","90","","1355.88","0.08","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis[(phenylethynyldimethylsilyl)benzene]chromium","bis[dimethyl(eta6-phenyl)phenylethinylsilane]chromium(0)","","- C32 H32 Cr Si2 -","- C32 H32 Cr Si2 -","- C64 H64 Cr2 Si4 -","2","0.5","","Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard","Transition-Metal Complexes Containing Alkynylsilyl Functionalized η6-Arene Ligands","Organometallics","2013","32","16","4531","","10.1021/om400378s","","","0.71073","MoKα","","0.0507","0.0337","","","0.0843","0.0902","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081252","12.516","0.0014","13.9396","0.0017","18.172","0.002","97.025","0.007","104.083","0.007","105.141","0.007","2909.3","0.6","93","2","93","2","","","","","","","","6","P -1","-P 1","2","dicyclopentadienyldinickel[phenylethynyldimethylphenylsilane]tricarbonyl- chromium - 0,25 naphthalene","tricarbonyl-1kappa3C-dicyclopentadienyl-2(eta5),3(eta5)-[mu3-dimethyl[phenyl- 1(eta6)](phenylethynyl-2kappa2C,C':3kappa2C,C')silane]-1-chromium(0)-2,3- bis[nickel(I)](Ni-Ni)-naphthalene (4/1)","","- C63 H56 Cr2 Ni4 O6 Si2 -","- C63 H56 Cr2 Ni4 O6 Si2 -","- C126 H112 Cr4 Ni8 O12 Si4 -","2","1","","Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard","Transition-Metal Complexes Containing Alkynylsilyl Functionalized η6-Arene Ligands","Organometallics","2013","32","16","4531","","10.1021/om400378s","","","0.71073","MoKα","","0.0669","0.0388","","","0.0833","0.0891","","","","","","1.043","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081253","18.8575","0.001","11.3366","0.0008","15.0233","0.001","90","","103.863","0.003","90","","3118.1","0.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","tetracarbonyldicyclopentadienyldimolybdenum[phenylethynyldimethylphenylsilane]- tricarbonylmolybdenum","heptacarbonyl-1kappa3C,2kappa2C,3kappa2C-dicyclopentadienyl-2(eta5),3(eta5)- [mu3-dimethyl[phenyl-1(eta6)](phenylethynyl-2kappa2C,C':3kappa2C,C')silane]- 1-molybdenum(0)-2,3-bis[molybdenum(I)](Mo2-Mo3)","","- C33 H26 Mo3 O7 Si -","- C33 H26 Mo3 O7 Si -","- C132 H104 Mo12 O28 Si4 -","4","1","","Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard","Transition-Metal Complexes Containing Alkynylsilyl Functionalized η6-Arene Ligands","Organometallics","2013","32","16","4531","","10.1021/om400378s","","","0.71073","MoKα","","0.0796","0.0438","","","0.0835","0.1018","","","","","","0.914","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081254","18.3347","0.0007","10.2468","0.0003","16.7982","0.0006","90","","103.437","0.001","90","","3069.52","0.18","93","2","93","2","","","","","","","","5","C 1 c 1","C -2yc","9","cyclopentadienylcobalt[3,4-diphenyl-1,2-bis(phenyldimethylsilyl)- cyclobutadiene]chromium","2(eta5)-cyclopentadienyl-{mu-3,4-diphenyl-1,2-bis{dimethyl[phenyl- 1(eta6)]silyl}-cyclobutadiene-2(eta4)}-chromium(0)-cobalt(I)","","- C37 H37 Co Cr Si2 -","- C37 H37 Co Cr Si2 -","- C148 H148 Co4 Cr4 Si8 -","4","1","","Hoffmann, Florian; Wagler, Jörg; Roewer, Gerhard","Transition-Metal Complexes Containing Alkynylsilyl Functionalized η6-Arene Ligands","Organometallics","2013","32","16","4531","","10.1021/om400378s","","","0.71073","MoKα","","0.0336","0.0292","","","0.0615","0.0634","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081255","15.5539","0.0003","12.5279","0.0003","22.6531","0.0005","90","","109.552","0.0011","90","","4159.6","0.16","200","","200","","","","","","","","Research School of Chemistry","4","P 1 21/a 1","-P 2yab","14","","","","- C21 H18 F6 P2 -","- C21 H18 F6 P2 -","- C168 H144 F48 P16 -","8","2","","Colebatch, Annie L.; Cade, Ian A.; Hill, Anthony F.; Bhadbhade, Mohan M.","η2-Allenyl- and η2-Alkynylphosphonium Complexes of Platinum","Organometallics","2013","32","17","4766","","10.1021/om400406s","","","0.71073","MoKα","","0.153","0.1331","","0.2538","0.2495","0.2538","","","","","","0.7915","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081256","14.9733","0.0007","8.2751","0.0004","16.2645","0.0007","90","","92.443","0.002","90","","2013.43","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 F6 P2 -","- C21 H18 F6 P2 -","- C84 H72 F24 P8 -","4","1","","Colebatch, Annie L.; Cade, Ian A.; Hill, Anthony F.; Bhadbhade, Mohan M.","η2-Allenyl- and η2-Alkynylphosphonium Complexes of Platinum","Organometallics","2013","32","17","4766","","10.1021/om400406s","","","0.71073","MoKα","","0.0515","0.038","","","0.0954","0.1025","","","","","","1.064","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081257","13.0623","0.0005","11.7465","0.0005","14.5543","0.0006","90","","98.377","0.002","90","","2209.33","0.16","200","","200","","","","","","","","Research School of Chemistry","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 F6 O P2 -","- C22 H22 F6 O P2 -","- C88 H88 F24 O4 P8 -","4","1","","Colebatch, Annie L.; Cade, Ian A.; Hill, Anthony F.; Bhadbhade, Mohan M.","η2-Allenyl- and η2-Alkynylphosphonium Complexes of Platinum","Organometallics","2013","32","17","4766","","10.1021/om400406s","","","0.71073","MoKα","","0.0632","0.055","","0.1494","0.1431","0.1494","","","","","","1.0071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081258","10.8056","0.0002","15.837","0.0002","24.405","0.0003","90","","90","","90","","4176.39","0.11","200","","200","","","","","","","","Research School of Chemistry","5","P b c 21","P 2c -2b","29","","","","- C42 H38 F12 O P4 -","- C42 H38 F12 O P4 -","- C168 H152 F48 O4 P16 -","4","1","","Colebatch, Annie L.; Cade, Ian A.; Hill, Anthony F.; Bhadbhade, Mohan M.","η2-Allenyl- and η2-Alkynylphosphonium Complexes of Platinum","Organometallics","2013","32","17","4766","","10.1021/om400406s","","","0.71073","MoKα","","0.0436","0.0366","","0.0881","0.0847","0.0881","","","","","","0.9801","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081259","12.673","0.01","14.815","0.01","15.954","0.012","65.82","0.03","75.91","0.03","84.18","0.03","2650","3","149","2","149","2","","","","","","","","6","P -1","-P 1","2","","","","- C57.15 H48.3 Cl0.3 F6 P4 Pt -","- C57.15 H48.3 Cl0.3 F6 P4 Pt -","- C114.3 H96.6 Cl0.6 F12 P8 Pt2 -","2","1","","Colebatch, Annie L.; Cade, Ian A.; Hill, Anthony F.; Bhadbhade, Mohan M.","η2-Allenyl- and η2-Alkynylphosphonium Complexes of Platinum","Organometallics","2013","32","17","4766","","10.1021/om400406s","","","0.71073","MoKα","","0.2412","0.117","","","0.2396","0.298","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081260","10.4806","0.0001","12.426","0.0002","21.6032","0.0003","91.5089","0.0006","90.849","0.0009","105.066","0.0008","2715.09","0.06","200","","200","","","","","","","","Research School of Chemistry","6","P -1","-P 1","2","","","","- C58.5 H51 Cl3 F6 P4 Pt -","- C58.5 H51 Cl3 F6 P4 Pt -","- C117 H102 Cl6 F12 P8 Pt2 -","2","1","","Colebatch, Annie L.; Cade, Ian A.; Hill, Anthony F.; Bhadbhade, Mohan M.","η2-Allenyl- and η2-Alkynylphosphonium Complexes of Platinum","Organometallics","2013","32","17","4766","","10.1021/om400406s","","","0.71073","MoKα","","0.0333","0.0281","","0.067","0.0651","0.067","","","","","","1.0278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081261","10.7392","0.0002","15.2057","0.0002","17.1417","0.0002","81.368","0.0009","74.9346","0.0008","82.5148","0.0007","2660.13","0.07","200","","200","","","","","","","","Research School of Chemistry","6","P -1","-P 1","2","","","","- C58 H49 Cl3 F6 P4 Pt -","- C58 H49 Cl3 F6 P4 Pt -","- C116 H98 Cl6 F12 P8 Pt2 -","2","1","","Colebatch, Annie L.; Cade, Ian A.; Hill, Anthony F.; Bhadbhade, Mohan M.","η2-Allenyl- and η2-Alkynylphosphonium Complexes of Platinum","Organometallics","2013","32","17","4766","","10.1021/om400406s","","","0.71073","MoKα","","0.0583","0.0426","","0.1078","0.1","0.1078","","","","","","0.9794","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081262","10.3032","0.0006","19.4736","0.0016","21.6635","0.0017","90","","77.597","0.005","90","","4245.1","0.5","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H58 Cl2 Ge N2 O Sn2 -","- C38 H58 Cl2 Ge N2 O Sn2 -","- C152 H232 Cl8 Ge4 N8 O4 Sn8 -","4","1","","Chia, Siew-Peng; Li, Yongxin; So, Cheuk-Wai","Synthesis and Characterization of a 2,6-Diiminophenylgermanium(II) Hydroxide, Azide, and Triazaphospole","Organometallics","2013","32","18","5231","","10.1021/om400411s","","","0.71073","MoKα","","0.2626","0.0774","","","0.1638","0.2538","","","","","","0.928","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081263","12.8309","0.0005","20.87","0.0009","14.7922","0.0006","90","","98.06","0.002","90","","3921.9","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H54 Ge N5 P -","- C43 H54 Ge N5 P -","- C172 H216 Ge4 N20 P4 -","4","1","","Chia, Siew-Peng; Li, Yongxin; So, Cheuk-Wai","Synthesis and Characterization of a 2,6-Diiminophenylgermanium(II) Hydroxide, Azide, and Triazaphospole","Organometallics","2013","32","18","5231","","10.1021/om400411s","","","0.71073","MoKα","","0.0843","0.0626","","","0.1671","0.1789","","","","","","1.093","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081264","14.001","0.003","11.941","0.002","14.517","0.003","90","","106.026","0.013","90","","2332.7","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl2 F N3 Pd -","- C25 H20 Cl2 F N3 Pd -","- C100 H80 Cl8 F4 N12 Pd4 -","4","1","","Ke, Chun-Hung; Kuo, Bing-Chiuan; Nandi, Debkumar; Lee, Hon Man","Monodentate Palladium Complexes Bearing Abnormal and Normal Carbene Ligands with a Formally Identical Steric Environment","Organometallics","2013","32","17","4775","","10.1021/om4004219","","x-ray","0.71073","MoKα","","0.1602","0.0673","","","0.1612","0.2134","","","","","","0.882","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081265","11.188","0.006","15.768","0.007","14.827","0.007","90","","105.44","0.03","90","","2521","2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl2 F N3 O Pd -","- C26 H22 Cl2 F N3 O Pd -","- C104 H88 Cl8 F4 N12 O4 Pd4 -","4","1","","Ke, Chun-Hung; Kuo, Bing-Chiuan; Nandi, Debkumar; Lee, Hon Man","Monodentate Palladium Complexes Bearing Abnormal and Normal Carbene Ligands with a Formally Identical Steric Environment","Organometallics","2013","32","17","4775","","10.1021/om4004219","","x-ray","0.71073","MoKα","","0.1165","0.0507","","","0.0991","0.1272","","","","","","0.958","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081266","8.732","0.003","10.361","0.004","15.045","0.006","71.34","0.03","73.16","0.02","68.93","0.02","1179.7","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Cl2 F2 N3 Pd -","- C25 H19 Cl2 F2 N3 Pd -","- C50 H38 Cl4 F4 N6 Pd2 -","2","1","","Ke, Chun-Hung; Kuo, Bing-Chiuan; Nandi, Debkumar; Lee, Hon Man","Monodentate Palladium Complexes Bearing Abnormal and Normal Carbene Ligands with a Formally Identical Steric Environment","Organometallics","2013","32","17","4775","","10.1021/om4004219","","x-ray","0.71073","MoKα","","0.1045","0.0406","","","0.0852","0.1","","","","","","0.911","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081267","9.1545","0.0019","9.9","0.002","13.992","0.003","93.456","0.015","98.067","0.014","108.979","0.014","1179.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 Cl2 F N3 Pd -","- C25 H20 Cl2 F N3 Pd -","- C50 H40 Cl4 F2 N6 Pd2 -","2","1","","Ke, Chun-Hung; Kuo, Bing-Chiuan; Nandi, Debkumar; Lee, Hon Man","Monodentate Palladium Complexes Bearing Abnormal and Normal Carbene Ligands with a Formally Identical Steric Environment","Organometallics","2013","32","17","4775","","10.1021/om4004219","","x-ray","0.71073","MoKα","","0.0737","0.0414","","","0.108","0.142","","","","","","0.779","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081268","11.324","0.004","15.859","0.005","14.811","0.005","90","","106.7","0.02","90","","2547.7","1.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cl2 F N3 O Pd -","- C26 H22 Cl2 F N3 O Pd -","- C104 H88 Cl8 F4 N12 O4 Pd4 -","4","1","","Ke, Chun-Hung; Kuo, Bing-Chiuan; Nandi, Debkumar; Lee, Hon Man","Monodentate Palladium Complexes Bearing Abnormal and Normal Carbene Ligands with a Formally Identical Steric Environment","Organometallics","2013","32","17","4775","","10.1021/om4004219","","x-ray","0.71073","MoKα","","0.0974","0.0507","","","0.1186","0.1605","","","","","","0.983","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081269","8.9072","0.001","11.6875","0.0015","23.513","0.003","100.789","0.009","90.078","0.008","90.148","0.009","2404.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 Cl2 F2 N3 Pd -","- C25 H19 Cl2 F2 N3 Pd -","- C100 H76 Cl8 F8 N12 Pd4 -","4","2","","Ke, Chun-Hung; Kuo, Bing-Chiuan; Nandi, Debkumar; Lee, Hon Man","Monodentate Palladium Complexes Bearing Abnormal and Normal Carbene Ligands with a Formally Identical Steric Environment","Organometallics","2013","32","17","4775","","10.1021/om4004219","","x-ray","0.71073","MoKα","","0.1265","0.0647","","","0.1581","0.2122","","","","","","0.823","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081270","32.558","0.004","9.0549","0.0009","20.424","0.002","90","","100.9","0.006","90","","5912.6","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H23 Br2 F3 N4 Pd -","- C33 H23 Br2 F3 N4 Pd -","- C264 H184 Br16 F24 N32 Pd8 -","8","1","","Ke, Chun-Hung; Kuo, Bing-Chiuan; Nandi, Debkumar; Lee, Hon Man","Monodentate Palladium Complexes Bearing Abnormal and Normal Carbene Ligands with a Formally Identical Steric Environment","Organometallics","2013","32","17","4775","","10.1021/om4004219","","x-ray","0.71073","MoKα","","0.1857","0.0812","","","0.2099","0.2744","","","","","","1.009","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081271","10.385","0.003","15.557","0.005","28.666","0.009","90","","90","","90","","4631","2","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 H77 K N2 O3 -","- C47 H77 K N2 O3 -","- C188 H308 K4 N8 O12 -","4","1","","Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","β-Diketiminate Derivatives of Alkali Metals and Uranium","Organometallics","2013","32","18","5058","","10.1021/om400435b","","","0.71073","MoKα","","0.195","0.0724","","","0.104","0.131","","","","","","1.18","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4081272","19.632","0.005","20.003","0.005","19.594","0.005","90","","95.579","0.005","90","","7658","3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H106 Cs2 D12 N4 -","- C82 H118 Cs2 N4 -","- C328 H472 Cs8 N16 -","4","1","","Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","β-Diketiminate Derivatives of Alkali Metals and Uranium","Organometallics","2013","32","18","5058","","10.1021/om400435b","","","0.71073","MoKα","","0.134","0.0617","","","0.094","0.113","","","","","","1.11","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081273","22.595","0.006","18.131","0.004","10.48","0.003","90","","90","","90","","4293.3","1.9","90","2","90","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H53 D6 I3 N2 U -","- C41 H59 I3 N2 U -","- C164 H236 I12 N8 U4 -","4","1","","Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","β-Diketiminate Derivatives of Alkali Metals and Uranium","Organometallics","2013","32","18","5058","","10.1021/om400435b","","","0.71073","MoKα","","0.0223","0.0194","","","0.0454","0.0466","","","","","","1.01","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081274","16.8923","0.0017","12.3039","0.0013","19.382","0.002","90","","96.889","0.002","90","","3999.3","0.7","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H57 I2 N2 O2 U -","- C37 H57 I2 N2 O2 U -","- C148 H228 I8 N8 O8 U4 -","4","1","","Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","β-Diketiminate Derivatives of Alkali Metals and Uranium","Organometallics","2013","32","18","5058","","10.1021/om400435b","","","0.71073","MoKα","","0.0671","0.0501","","","0.126","0.142","","","","","","1.04","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081275","19.6738","0.0013","18.0264","0.0012","21.1293","0.0014","90","","90","","90","","7493.5","0.9","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H56 I N2 U -","- C39 H56 I N2 U -","- C312 H448 I8 N16 U8 -","8","1","","Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","β-Diketiminate Derivatives of Alkali Metals and Uranium","Organometallics","2013","32","18","5058","","10.1021/om400435b","","","0.71073","MoKα","","0.0304","0.0246","","","0.0596","0.0625","","","","","","1.07","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081276","11.3021","0.0004","11.9853","0.0004","16.7492","0.0005","87.864","0.003","76.519","0.003","66.236","0.003","2015.15","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H59 I N3 Si2 U -","- C35 H59 I N3 Si2 U -","- C70 H118 I2 N6 Si4 U2 -","2","1","","Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","β-Diketiminate Derivatives of Alkali Metals and Uranium","Organometallics","2013","32","18","5058","","10.1021/om400435b","","","1.54184","CuKα","","0.0362","0.0349","","","0.0903","0.0914","","","","","","1.04","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4081277","19.5116","0.0015","11.7957","0.0009","42.786","0.003","90","","94.127","0.002","90","","9821.8","1.3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H83 N4 Si4 U -","- C41 H76 N4 Si4 U -","- C328 H608 N32 Si32 U8 -","8","1","","Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","β-Diketiminate Derivatives of Alkali Metals and Uranium","Organometallics","2013","32","18","5058","","10.1021/om400435b","","","0.71073","MoKα","","0.0426","0.0339","","","0.077","0.0806","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081278","32.2666","0.0016","12.9502","0.0005","21.3847","0.0011","90","","124.089","0.007","90","","7400.3","0.9","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H104 I2 N4 U2 -","- C78 H104 I2 N4 U2 -","- C312 H416 I8 N16 U8 -","4","0.5","","Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","β-Diketiminate Derivatives of Alkali Metals and Uranium","Organometallics","2013","32","18","5058","","10.1021/om400435b","","","1.5418","CuKα","","0.0843","0.0827","","","0.181","0.184","","","","","","1.18","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081279","11.5779","0.0007","11.6898","0.0007","13.6188","0.0006","95.987","0.004","99.56","0.004","104.433","0.005","1739.64","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H82 D12 I2 N4 O2 U2 -","- C70 H94 I2 N4 O2 U2 -","- C70 H94 I2 N4 O2 U2 -","1","0.5","","Wooles, Ashley J.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.","β-Diketiminate Derivatives of Alkali Metals and Uranium","Organometallics","2013","32","18","5058","","10.1021/om400435b","","","1.5418","CuKα","","0.094","0.0889","","","0.259","0.261","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081280","9.9462","0.0004","11.5852","0.0004","13.6719","0.0005","105.834","0.002","98.692","0.002","107.361","0.002","1399.42","0.1","100","0.1","100","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C29 H42 N O2 P W2 -","- C29 H42 N O2 P W2 -","- C58 H84 N2 O4 P2 W4 -","2","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda","Insertion, Rearrangement, and Coupling Processes in the Reactions of the Unsaturated Hydride Complex [W2(η5-C5H5)2(H)(μ-PCy2)(CO)2] with Isocyanides","Organometallics","2013","32","16","4543","","10.1021/om400439d","","x-ray","0.71073","MoKα","","0.0613","0.0421","","","0.082","0.0893","","","","","","1.01","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081281","12.073","0.002","13.746","0.003","20.141","0.004","90","","107.077","0.003","90","","3195.1","1.1","100","0.1","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 Cl2 N O P W2 -","- C33 H44 Cl2 N O P W2 -","- C132 H176 Cl8 N4 O4 P4 W8 -","4","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda","Insertion, Rearrangement, and Coupling Processes in the Reactions of the Unsaturated Hydride Complex [W2(η5-C5H5)2(H)(μ-PCy2)(CO)2] with Isocyanides","Organometallics","2013","32","16","4543","","10.1021/om400439d","","x-ray","0.71073","MoKα","","0.0296","0.0215","","","0.0435","0.0461","","","","","","1.047","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081282","10.9476","0.0003","12.7269","0.0003","27.6319","0.0006","90","","90.457","0.002","90","","3849.8","0.16","123","0.1","123","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H47 N2 O4 P W2 -","- C40 H47 N2 O4 P W2 -","- C160 H188 N8 O16 P4 W8 -","4","1","","Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda","Insertion, Rearrangement, and Coupling Processes in the Reactions of the Unsaturated Hydride Complex [W2(η5-C5H5)2(H)(μ-PCy2)(CO)2] with Isocyanides","Organometallics","2013","32","16","4543","","10.1021/om400439d","","x-ray","1.54184","CuKα","","0.0308","0.0254","","","0.0597","0.0624","","","","","","1.092","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081283","10.2698","0.0005","19.0572","0.0011","29.2752","0.0017","90","","95.021","0.001","90","","5707.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H62 B2 F8 N6 P4 Pd -","- C60 H62 B2 F8 N6 P4 Pd -","- C240 H248 B8 F32 N24 P16 Pd4 -","4","1","","Seu, Candace S.; Ung, David; Doud, Michael D.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Synthesis, Structural, and Electrocatalytic Reduction Studies of [Pd(P2N2)2]2+Complexes","Organometallics","2013","32","16","4556","","10.1021/om400472s","","","0.71073","MoKα","","0.0834","0.0547","","","0.1088","0.1213","","","","","","1.068","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081284","9.5588","0.0007","12.496","0.0009","14.8568","0.0011","94.027","0.003","99.551","0.002","97.422","0.002","1727.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H92 B2 F8 N8 P4 Pd -","- C56 H80 B2 F8 N4 P4 Pd -","- C56 H80 B2 F8 N4 P4 Pd -","1","0.5","","Seu, Candace S.; Ung, David; Doud, Michael D.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Synthesis, Structural, and Electrocatalytic Reduction Studies of [Pd(P2N2)2]2+Complexes","Organometallics","2013","32","16","4556","","10.1021/om400472s","","","0.71073","MoKα","","0.0706","0.0558","","","0.1437","0.1514","","","","","","1.064","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081285","10.5769","0.0005","24.516","0.0008","24.1638","0.0009","90","","99.188","0.002","90","","6185.4","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H70 B2 F8 N6 P4 Pd -","- C64 H70 B2 F8 N6 P4 Pd -","- C256 H280 B8 F32 N24 P16 Pd4 -","4","1","","Seu, Candace S.; Ung, David; Doud, Michael D.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Synthesis, Structural, and Electrocatalytic Reduction Studies of [Pd(P2N2)2]2+Complexes","Organometallics","2013","32","16","4556","","10.1021/om400472s","","","0.71073","MoKα","","0.0665","0.0418","","","0.0717","0.08","","","","","","1.076","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081286","14.0539","0.0007","10.008","0.0005","18.7335","0.001","90","","108.98","0.002","90","","2491.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H60 B2 F8 N8 P4 Pd -","- C44 H60 B2 F8 N8 P4 Pd -","- C88 H120 B4 F16 N16 P8 Pd2 -","2","0.5","","Seu, Candace S.; Ung, David; Doud, Michael D.; Moore, Curtis E.; Rheingold, Arnold L.; Kubiak, Clifford P.","Synthesis, Structural, and Electrocatalytic Reduction Studies of [Pd(P2N2)2]2+Complexes","Organometallics","2013","32","16","4556","","10.1021/om400472s","","","0.71073","MoKα","","0.0258","0.0214","","","0.0513","0.0535","","","","","","1.047","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081287","18.167","0.003","11.479","0.002","14.622","0.003","90","","101.087","0.002","90","","2992.3","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 F13 N2 O2 Pd -","- C29 H17 F13 N2 O2 Pd -","- C116 H68 F52 N8 O8 Pd4 -","4","1","","Dudkina, Yulia B.; Mikhaylov, Dmitry Y.; Gryaznova, Tatyana V.; Tufatullin, Artem I.; Kataeva, Olga N.; Vicic, David A.; Budnikova, Yulia H.","Electrochemical Ortho Functionalization of 2-Phenylpyridine with Perfluorocarboxylic Acids Catalyzed by Palladium in Higher Oxidation States","Organometallics","2013","32","17","4785","","10.1021/om400492g","","","0.7107","MoKα","","0.0554","0.0338","","","0.069","0.0747","","","","","","0.949","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081288","10.078","0.001","14.934","0.002","16.293","0.002","113.371","0.001","99.269","0.002","104.559","0.002","2082.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H17 F3 N2 O2 Pd -","- C24 H17 F3 N2 O2 Pd -","- C96 H68 F12 N8 O8 Pd4 -","4","2","","Dudkina, Yulia B.; Mikhaylov, Dmitry Y.; Gryaznova, Tatyana V.; Tufatullin, Artem I.; Kataeva, Olga N.; Vicic, David A.; Budnikova, Yulia H.","Electrochemical Ortho Functionalization of 2-Phenylpyridine with Perfluorocarboxylic Acids Catalyzed by Palladium in Higher Oxidation States","Organometallics","2013","32","17","4785","","10.1021/om400492g","","","0.71073","MoKα","","0.0426","0.0294","","","0.0686","0.0737","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081289","22.628","0.007","4.867","0.001","13.95","0.004","90","","98.795","0.003","90","","1518.3","0.7","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H11 F3 N2 O2 Pd -","- C15 H11 F3 N2 O2 Pd -","- C60 H44 F12 N8 O8 Pd4 -","4","1","","Dudkina, Yulia B.; Mikhaylov, Dmitry Y.; Gryaznova, Tatyana V.; Tufatullin, Artem I.; Kataeva, Olga N.; Vicic, David A.; Budnikova, Yulia H.","Electrochemical Ortho Functionalization of 2-Phenylpyridine with Perfluorocarboxylic Acids Catalyzed by Palladium in Higher Oxidation States","Organometallics","2013","32","17","4785","","10.1021/om400492g","","","0.71073","MoKα","","0.059","0.0581","","","0.1518","0.1529","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081290","8.274","0.002","11.667","0.003","16.84","0.005","90","","90","","90","","1625.6","0.7","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Fe P Si -","- C17 H21 Fe P Si -","- C68 H84 Fe4 P4 Si4 -","4","1","","Ogasawara, Masamichi; Arae, Sachie; Watanabe, Susumu; Subbarayan, Velusamy; Sato, Hiroyasu; Takahashi, Tamotsu","Synthesis and Characterization of Benzo[b]phosphaferrocene Derivatives","Organometallics","2013","32","17","4997","","10.1021/om400496b","","","0.71075","MoKα","","","0.0377","","","","0.0762","","","","","","1.033","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081291","11.1619","0.0007","11.8595","0.0009","18.5571","0.0012","90","","90","","90","","2456.5","0.3","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H26 N8 O -","- C29 H26 N8 O -","- C116 H104 N32 O4 -","4","1","","Timerbulatova, Marina G.; Gatus, Mark R. D.; Vuong, Khuong Q.; Bhadbhade, Mohan; Algarra, Andr G.; Macgregor, Stuart A.; Messerle, Barbara A.","Bimetallic Complexes for Enhancing Catalyst Efficiency: Probing the Relationship between Activity and Intermetallic Distance","Organometallics","2013","32","18","5071","","10.1021/om4005059","","","0.71073","MoKα","","0.0713","0.0466","","","0.0902","0.1022","","","","","","1.019","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081292","7.8236","0.0003","11.1607","0.0004","13.5102","0.0006","76.196","0.002","79.146","0.002","72.524","0.001","1084.02","0.08","152","2","152","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H20 N8 O -","- C26 H20 N8 O -","- C52 H40 N16 O2 -","2","1","","Timerbulatova, Marina G.; Gatus, Mark R. D.; Vuong, Khuong Q.; Bhadbhade, Mohan; Algarra, Andr G.; Macgregor, Stuart A.; Messerle, Barbara A.","Bimetallic Complexes for Enhancing Catalyst Efficiency: Probing the Relationship between Activity and Intermetallic Distance","Organometallics","2013","32","18","5071","","10.1021/om4005059","","","0.71073","MoKα","","0.0391","0.0333","","","0.0855","0.0903","","","","","","1.055","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081293","12.5005","0.0007","36.379","0.002","11.3772","0.0007","90","","92.273","0.004","90","","5169.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H70 B2 F48 N8 Rh2 -","- C98 H70 B2 F48 N8 Rh2 -","- C196 H140 B4 F96 N16 Rh4 -","2","0.5","","Timerbulatova, Marina G.; Gatus, Mark R. D.; Vuong, Khuong Q.; Bhadbhade, Mohan; Algarra, Andr G.; Macgregor, Stuart A.; Messerle, Barbara A.","Bimetallic Complexes for Enhancing Catalyst Efficiency: Probing the Relationship between Activity and Intermetallic Distance","Organometallics","2013","32","18","5071","","10.1021/om4005059","","","0.71073","MoKα","","0.2195","0.1194","","","0.2766","0.3008","","","","","","1.348","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081294","13.2505","0.0005","16.574","0.0006","26.095","0.0011","82.603","0.002","76.862","0.002","86.683","0.002","5531.9","0.4","155","2","155","2","","","","","","","","8","P -1","-P 1","2","","","","- C98.5 H52.5 B2 Cl3.5 F48 N8 O5 Rh2 -","- C98.5 H52.5 B2 Cl3.5 F48 N8 O5 Rh2 -","- C197 H105 B4 Cl7 F96 N16 O10 Rh4 -","2","1","","Timerbulatova, Marina G.; Gatus, Mark R. D.; Vuong, Khuong Q.; Bhadbhade, Mohan; Algarra, Andr G.; Macgregor, Stuart A.; Messerle, Barbara A.","Bimetallic Complexes for Enhancing Catalyst Efficiency: Probing the Relationship between Activity and Intermetallic Distance","Organometallics","2013","32","18","5071","","10.1021/om4005059","","","0.71073","MoKα","","0.0684","0.057","","","0.158","0.1697","","","","","","1.272","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081295","12.315","0.003","12.411","0.003","17.414","0.004","77.75","0.03","88.59","0.03","75.23","0.03","2513.8","1.1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C94 H50 B2 Cl4 F48 Fe N8 O4 Rh2 -","- C94 H50 B2 Cl4 F48 Fe N8 O4 Rh2 -","- C94 H50 B2 Cl4 F48 Fe N8 O4 Rh2 -","1","0.5","","Timerbulatova, Marina G.; Gatus, Mark R. D.; Vuong, Khuong Q.; Bhadbhade, Mohan; Algarra, Andr G.; Macgregor, Stuart A.; Messerle, Barbara A.","Bimetallic Complexes for Enhancing Catalyst Efficiency: Probing the Relationship between Activity and Intermetallic Distance","Organometallics","2013","32","18","5071","","10.1021/om4005059","","","0.71073","Synchrotron","","0.1194","0.1086","","","0.3729","0.3768","","","","","","2.106","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081296","8.0211","0.0017","8.811","0.002","23.772","0.005","90","","97.876","0.011","90","","1664.2","0.6","158","2","158","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","2","","Timerbulatova, Marina G.; Gatus, Mark R. D.; Vuong, Khuong Q.; Bhadbhade, Mohan; Algarra, Andr G.; Macgregor, Stuart A.; Messerle, Barbara A.","Bimetallic Complexes for Enhancing Catalyst Efficiency: Probing the Relationship between Activity and Intermetallic Distance","Organometallics","2013","32","18","5071","","10.1021/om4005059","","","0.71073","MoKα","","0.2714","0.0839","","","0.0956","0.1415","","","","","","0.944","","","","has coordinates,has disorder","178701","2020-10-21","18:00:00",""
"4081297","10.359","0.0019","13.304","0.003","18.287","0.003","75.979","0.004","89.537","0.003","89.099","0.003","2444.8","0.8","185","2","185","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Cl Cr N0 O P -","- C29 H23 Cl Cr O P -","- C116 H92 Cl4 Cr4 O4 P4 -","4","2","","Tao, Ping; Mu, Hong-Liang; Liu, Jing-Yu; Li, Yue-Sheng","New Half-Sandwich Chromium(III) Complexes Bearing Phenoxy-Phosphine (Oxide) [O,P(═O)] Ligands: Synthesis, Structures, and Catalytic Properties for Ethylene (Co)Polymerization","Organometallics","2013","32","17","4805","","10.1021/om400517t","","","0.71073","MoKα","","0.1264","0.0692","","","0.1497","0.1754","","","","","","1.016","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081298","14.622","0.002","10.1233","0.0014","16.513","0.002","90","","98.072","0.002","90","","2420.1","0.6","185","2","185","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Cl Cr O P -","- C27 H27 Cl Cr O P -","- C108 H108 Cl4 Cr4 O4 P4 -","4","1","","Tao, Ping; Mu, Hong-Liang; Liu, Jing-Yu; Li, Yue-Sheng","New Half-Sandwich Chromium(III) Complexes Bearing Phenoxy-Phosphine (Oxide) [O,P(═O)] Ligands: Synthesis, Structures, and Catalytic Properties for Ethylene (Co)Polymerization","Organometallics","2013","32","17","4805","","10.1021/om400517t","","","0.71073","MoKα","","0.0957","0.0605","","","0.131","0.1474","","","","","","1.054","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081299","9.3204","0.0006","9.4066","0.0006","14.4848","0.0009","86.673","0.001","71.757","0.001","68.444","0.001","1119.41","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Cl Cr F O P -","- C23 H18 Cl Cr F O P -","- C46 H36 Cl2 Cr2 F2 O2 P2 -","2","1","","Tao, Ping; Mu, Hong-Liang; Liu, Jing-Yu; Li, Yue-Sheng","New Half-Sandwich Chromium(III) Complexes Bearing Phenoxy-Phosphine (Oxide) [O,P(═O)] Ligands: Synthesis, Structures, and Catalytic Properties for Ethylene (Co)Polymerization","Organometallics","2013","32","17","4805","","10.1021/om400517t","","","0.71073","MoKα","","0.0453","0.0383","","","0.1011","0.105","","","","","","1.048","","","","has coordinates","178701","2020-10-21","18:00:00",""
"4081300","15.0402","0.0013","9.8073","0.0008","17.4669","0.0015","90","","101.172","0.001","90","","2527.6","0.4","185","2","185","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cl Cr O2 P Si -","- C26 H27 Cl Cr O2 P Si -","- C104 H108 Cl4 Cr4 O8 P4 Si4 -","4","1","","Tao, Ping; Mu, Hong-Liang; Liu, Jing-Yu; Li, Yue-Sheng","New Half-Sandwich Chromium(III) Complexes Bearing Phenoxy-Phosphine (Oxide) [O,P(═O)] Ligands: Synthesis, Structures, and Catalytic Properties for Ethylene (Co)Polymerization","Organometallics","2013","32","17","4805","","10.1021/om400517t","","","0.71073","MoKα","","0.0641","0.0485","","","0.1081","0.1168","","","","","","1.049","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081301","13.765","0.004","14.046","0.004","14.086","0.004","84.1","0.01","77.97","0.01","82.13","0.009","2630.8","1.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H38 Cl3 F6 N6 P Ru -","- C46 H38 Cl3 F6 N6 P Ru -","- C92 H76 Cl6 F12 N12 P2 Ru2 -","2","1","","Tang, Jian-Hong; Wu, Si-Hai; Shao, Jiang-Yang; Nie, Hai-Jing; Zhong, Yu-Wu","Ruthenium-Amine Electronic Coupling Bridged through Phen-1,3-diyl Versus Phen-1,4-diyl: Reverse of the Charge Transfer Direction","Organometallics","2013","32","16","4564","","10.1021/om400519b","","","0.71073","MoKα","","0.1245","0.0931","","","0.2301","0.2522","","","","","","1.248","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081302","12.6185","0.0011","9.9614","0.0009","30.309","0.003","90","","95.0347","0.0011","90","","3795.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H41 N P2 Ru -","- C48 H41 N P2 Ru -","- C192 H164 N4 P8 Ru4 -","4","1","","Ireland, Benjamin J.; McDonald, Robert; Fogg, Deryn E.","Exploring the Variable Hapticity of the Arylamide Ligand: Access to σ-Amidophenyl and π-Cyclohexadienylimine Structures","Organometallics","2013","32","17","4723","","10.1021/om4005252","","","0.71073","MoKα","","0.0792","0.0605","","","0.154","0.1672","","","","","","1.07","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081303","8.8131","0.0004","14.2385","0.0006","16.0147","0.0006","106.657","0.0005","98.8404","0.0005","90.4651","0.0005","1899.52","0.14","83","2","83","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H30 U -","- C22 H30 U -","- C88 H120 U4 -","4","2","","Webster, Christopher L.; Ziller, Joseph W.; Evans, William J.","Reactivity of U3+Metallocene Allyl Complexes Leads to a Nanometer-Sized Uranium Carbonate, [(C5Me5)2U]6(μ-κ1:κ2-CO3)6","Organometallics","2013","32","17","4820","","10.1021/om400526h","","","0.71073","MoKα","","0.0257","0.0178","","","0.0375","0.0396","","","","","","1.02","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081304","31.339","0.002","31.339","0.002","10.992","0.0008","90","","90","","120","","9349.3","1.1","143","2","143","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C132 H186 O18 U6 -","- C132 H186 O18 U6 -","- C396 H558 O54 U18 -","3","0.166667","","Webster, Christopher L.; Ziller, Joseph W.; Evans, William J.","Reactivity of U3+Metallocene Allyl Complexes Leads to a Nanometer-Sized Uranium Carbonate, [(C5Me5)2U]6(μ-κ1:κ2-CO3)6","Organometallics","2013","32","17","4820","","10.1021/om400526h","","","0.71073","MoKα","","0.0346","0.0292","","","0.0765","0.0818","","","","","","1.096","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081305","9.78","0.0005","15.6266","0.0009","15.0373","0.0008","90","","102.854","0.0006","90","","2240.5","0.2","83","2","83","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H70 O4 U2 -","- C48 H70 O4 U2 -","- C96 H140 O8 U4 -","2","0.5","","Webster, Christopher L.; Ziller, Joseph W.; Evans, William J.","Reactivity of U3+Metallocene Allyl Complexes Leads to a Nanometer-Sized Uranium Carbonate, [(C5Me5)2U]6(μ-κ1:κ2-CO3)6","Organometallics","2013","32","17","4820","","10.1021/om400526h","","","0.71073","MoKα","","0.0159","0.0145","","","0.0328","0.0332","","","","","","1.097","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081306","11.0817","0.0004","16.3923","0.0007","14.6108","0.0007","90","","94.911","0.003","90","","2644.4","0.2","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Cl4 N3 Pd -","- C24 H29 Cl4 N3 Pd -","- C96 H116 Cl16 N12 Pd4 -","4","1","","Badaj, Anna C.; Lavoie, Gino G.","Reactivity Study of Imino-N-Heterocyclic Carbene Palladium(II) Methyl Complexes","Organometallics","2013","32","16","4577","","10.1021/om400533d","","","0.71073","MoKα","","0.083","0.0443","","","0.0923","0.1112","","","","","","1.04","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081307","9.525","0.0003","15.6302","0.0004","19.0325","0.0005","90","","90","","90","","2833.51","0.14","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 Cl4 N3 Pd -","- C27 H35 Cl4 N3 Pd -","- C108 H140 Cl16 N12 Pd4 -","4","1","","Badaj, Anna C.; Lavoie, Gino G.","Reactivity Study of Imino-N-Heterocyclic Carbene Palladium(II) Methyl Complexes","Organometallics","2013","32","16","4577","","10.1021/om400533d","","","0.71073","MoKα","","0.0807","0.0459","","","0.0944","0.1124","","","","","","1.088","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081308","12.7852","0.0002","12.0209","0.0003","17.3783","0.0003","90","","102.898","0.001","90","","2603.48","0.09","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 Cl N3 Pd -","- C29 H32 Cl N3 Pd -","- C116 H128 Cl4 N12 Pd4 -","4","1","","Badaj, Anna C.; Lavoie, Gino G.","Reactivity Study of Imino-N-Heterocyclic Carbene Palladium(II) Methyl Complexes","Organometallics","2013","32","16","4577","","10.1021/om400533d","","","0.71073","MoKα","","0.0788","0.0428","","","0.097","0.1169","","","","","","1.066","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081309","7.3401","0.0008","19.14","0.002","21.839","0.002","90","","92.519","0.003","90","","3065.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 F6 N4 P Pd -","- C28 H37 F6 N4 P Pd -","- C112 H148 F24 N16 P4 Pd4 -","4","1","","Badaj, Anna C.; Lavoie, Gino G.","Reactivity Study of Imino-N-Heterocyclic Carbene Palladium(II) Methyl Complexes","Organometallics","2013","32","16","4577","","10.1021/om400533d","","","0.71073","MoKα","","0.0525","0.0371","","","0.082","0.089","","","","","","1.038","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081310","8.0692","0.0005","11.6654","0.0008","12.175","0.006","73.478","0.003","83.797","0.004","74.338","0.003","1057.3","0.5","150","2","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H50 Cl1.49 I0.51 N6 Pd -","- C44 H50 Cl1.488 I0.512 N6 Pd -","- C44 H50 Cl1.488 I0.512 N6 Pd -","1","0.5","","Badaj, Anna C.; Lavoie, Gino G.","Reactivity Study of Imino-N-Heterocyclic Carbene Palladium(II) Methyl Complexes","Organometallics","2013","32","16","4577","","10.1021/om400533d","","","0.71073","MoKα","","0.1209","0.0558","","","0.0938","0.1149","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081311","20.1462","0.0005","11.6235","0.0002","21.7148","0.0005","90","","106.053","0.001","90","","4886.66","0.19","150","2","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H56 Cl3.79 I0.21 N6 Pd -","- C51 H56 Cl3.7944 I0.2056 N6 Pd -","- C204 H224 Cl15.1776 I0.8224 N24 Pd4 -","4","1","","Badaj, Anna C.; Lavoie, Gino G.","Reactivity Study of Imino-N-Heterocyclic Carbene Palladium(II) Methyl Complexes","Organometallics","2013","32","16","4577","","10.1021/om400533d","","","0.71073","MoKα","","0.089","0.0494","","","0.0877","0.1011","","","","","","1.013","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081312","9.3459","0.0012","26.128","0.004","13.0359","0.0017","90","","95.764","0.002","90","","3167.1","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 Cl4 N3 O Pd -","- C28 H35 Cl4 N3 O Pd -","- C112 H140 Cl16 N12 O4 Pd4 -","4","1","","Badaj, Anna C.; Lavoie, Gino G.","Reactivity Study of Imino-N-Heterocyclic Carbene Palladium(II) Methyl Complexes","Organometallics","2013","32","16","4577","","10.1021/om400533d","","","0.71073","MoKα","","0.0672","0.0572","","","0.1128","0.1156","","","","","","1.366","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081313","31.5338","0.0006","8.0506","0.0002","19.1014","0.0004","90","","112.273","0.001","90","","4487.39","0.17","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H20 Cl N3 O Pt -","- C26.5 H20 Cl N3 O Pt -","- C212 H160 Cl8 N24 O8 Pt8 -","8","1","","Carroll, Jeffrey; Gagnier, Joshua P.; Garner, Alexander W.; Moots, Justin G.; Pike, Robert D.; Li, Yumin; Huo, Shouquan","Reaction ofN-Isopropyl-N-phenyl-2,2′-bipyridin-6-amine with K2PtCl4: Selective C‒H Bond Activation, C‒N Bond Cleavage, and Selective Acylation","Organometallics","2013","32","17","4828","","10.1021/om400540y","","","1.54178","CuKα","","0.0278","0.0274","","","0.0728","0.073","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081314","9.5234","0.0003","34.057","0.0011","10.7376","0.0003","90","","109.316","0.001","90","","3286.58","0.18","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 N2 P2 Pd2 -","- C40 H29 N2 P2 Pd2 -","- C160 H116 N8 P8 Pd8 -","4","1","","Yamaguchi, Yu; Yamanishi, Katsunori; Kondo, Mitsuru; Tsukada, Naofumi","Synthesis of Dinuclear (μ-η3-Allyl)palladium(I) and -platinum(I) Complexes Supported by Chelate-Bridging Ligands","Organometallics","2013","32","17","4837","","10.1021/om400557p","","","0.71075","MoKα","","","0.0345","","","","0.0835","","","","","","1.025","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081315","10.6381","0.0017","11.0479","0.0016","15.574","0.003","83.063","0.007","87.631","0.007","61.778","0.005","1600.7","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H32 N3 P Pd2 -","- C37 H32 N3 P Pd2 -","- C74 H64 N6 P2 Pd4 -","2","1","","Yamaguchi, Yu; Yamanishi, Katsunori; Kondo, Mitsuru; Tsukada, Naofumi","Synthesis of Dinuclear (μ-η3-Allyl)palladium(I) and -platinum(I) Complexes Supported by Chelate-Bridging Ligands","Organometallics","2013","32","17","4837","","10.1021/om400557p","","","0.7107","MoKα","","","0.0677","","","","0.1442","","","","","","1.016","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081316","9.118","0.004","11.882","0.005","18.397","0.008","90","","101.788","0.006","90","","1951.1","1.5","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N4 Pd2 -","- C23 H20 N4 Pd2 -","- C92 H80 N16 Pd8 -","4","1","","Yamaguchi, Yu; Yamanishi, Katsunori; Kondo, Mitsuru; Tsukada, Naofumi","Synthesis of Dinuclear (μ-η3-Allyl)palladium(I) and -platinum(I) Complexes Supported by Chelate-Bridging Ligands","Organometallics","2013","32","17","4837","","10.1021/om400557p","","","0.7107","MoKα","","","0.0803","","","","0.134","","","","","","1.056","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081317","9.5484","0.0008","34.4643","0.0018","10.8525","0.0008","90","","108.87","0.004","90","","3379.4","0.4","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 N2 P2 Pt2 -","- C40 H34 N2 P2 Pt2 -","- C160 H136 N8 P8 Pt8 -","4","1","","Yamaguchi, Yu; Yamanishi, Katsunori; Kondo, Mitsuru; Tsukada, Naofumi","Synthesis of Dinuclear (μ-η3-Allyl)palladium(I) and -platinum(I) Complexes Supported by Chelate-Bridging Ligands","Organometallics","2013","32","17","4837","","10.1021/om400557p","","","0.7107","MoKα","","","0.0459","","","","0.0885","","","","","","1.066","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081318","9.6791","0.0011","7.8592","0.0009","19.129","0.002","90","","100.293","0.003","90","","1431.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Au Br N2 -","- C13 H18 Au Br N2 -","- C52 H72 Au4 Br4 N8 -","4","1","","Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin","Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III)","Organometallics","2013","32","16","4591","","10.1021/om400563e","","","0.71073","MoKα","","0.0487","0.0427","","","0.0984","0.1018","","","","","","1.074","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081319","10.5679","0.0014","10.6108","0.0015","13.294","0.0018","90","","93.197","0.003","90","","1488.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Au I N2 -","- C13 H18 Au I N2 -","- C52 H72 Au4 I4 N8 -","4","1","","Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin","Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III)","Organometallics","2013","32","16","4591","","10.1021/om400563e","","","0.71073","MoKα","","0.0369","0.0346","","","0.0866","0.0878","","","","","","1.095","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081320","8.7682","0.0007","8.7682","0.0007","20.718","0.003","90","0","90","0","90","0","1592.8","0.3","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C13 H18 Au Cl3 N2 -","- C13 H18 Au Cl3 N2 -","- C52 H72 Au4 Cl12 N8 -","4","0.5","","Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin","Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III)","Organometallics","2013","32","16","4591","","10.1021/om400563e","","","0.71073","MoKα","","0.0257","0.0248","","","0.0634","0.0636","","","","","","1.162","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081321","9.0114","0.0003","9.0114","0.0003","21.0622","0.0016","90","","90","","90","","1710.36","0.15","223","2","223","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H18 Au Br3 N2 -","- C13 H18 Au Br3 N2 -","- C52 H72 Au4 Br12 N8 -","4","0.5","","Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin","Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III)","Organometallics","2013","32","16","4591","","10.1021/om400563e","","","0.71073","MoKα","","0.0221","0.021","","","0.0494","0.0497","","","","","","1.074","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081322","9.3135","0.0012","9.3135","0.0012","21.152","0.004","90","","90","","90","","1834.8","0.5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H18 Au I3 N2 -","- C13 H18 Au I3 N2 -","- C52 H72 Au4 I12 N8 -","4","0.5","","Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin","Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III)","Organometallics","2013","32","16","4591","","10.1021/om400563e","","","0.71073","MoKα","","0.0269","0.0267","","","0.066","0.0661","","","","","","1.146","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081323","40.5846","0.0015","10.9152","0.0004","25.3892","0.0009","90","","116.748","0.001","90","","10043.6","0.6","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26.67 H36.67 Au B Cl4 F4 N4 -","- C26.6667 H36.6667 Au B Cl4 F4 N4 -","- C320 H440 Au12 B12 Cl48 F48 N48 -","12","1.5","","Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin","Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III)","Organometallics","2013","32","16","4591","","10.1021/om400563e","","","0.71073","MoKα","","0.0553","0.0405","","","0.0878","0.093","","","","","","1.017","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081324","40.65","0.03","10.902","0.008","25.01","0.018","90","","116.24","0.03","90","","9941","13","223","2","223","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C26.67 H37.33 Au B Br2 Cl1.33 F4 N4 -","- C26.6667 H37.3333 Au B Br2 Cl1.33333 F4 N4 -","- C320 H448 Au12 B12 Br24 Cl16 F48 N48 -","12","1.5","","Huynh, Han Vinh; Guo, Shuai; Wu, Wenqin","Detailed Structural, Spectroscopic, and Electrochemical Trends of Halido Mono- and Bis(NHC) Complexes of Au(I) and Au(III)","Organometallics","2013","32","16","4591","","10.1021/om400563e","","","0.71073","MoKα","","0.0693","0.0471","","","0.1039","0.1123","","","","","","0.993","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081325","9.5419","0.0017","24.032","0.004","12.901","0.002","90","","94.136","0.003","90","","2950.6","0.9","100","0.1","100","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 Cl2 Fe2 O7 P -","- C28 H31 Cl2 Fe2 O7 P -","- C112 H124 Cl8 Fe8 O28 P4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ruiz, Miguel A.","P‒C and C‒C Coupling Processes in the Reactions of the Phosphinidene-Bridged Complex [Fe2(η5-C5H5)2(μ-PCy)(μ-CO)(CO)2] with Alkynes","Organometallics","2013","32","16","4601","","10.1021/om4005669","","x-ray","0.71073","MoKα","","0.0706","0.0584","","","0.1669","0.1761","","","","","","1.103","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081326","13.3604","0.0006","9.2903","0.0004","8.6402","0.0004","90","","90","","90","","1072.44","0.08","298","2","298","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C16 H32 Co O P3 S -","- C16 H32 Co O P3 S -","- C32 H64 Co2 O2 P6 S2 -","2","0.5","","Niu, Qingfen; Sun, Hongjian; Li, Xiaoyan; Klein, H.-F.; Flörke, Ulrich","Synthesis and Catalytic Application in Hydrosilylation of the Complexmer-Hydrido(2-mercaptobenzoyl)tris(trimethylphosphine)cobalt(III)","Organometallics","2013","32","18","5235","","10.1021/om4005687","","","0.71073","MoKα","","0.0219","0.021","","","0.0518","0.0524","","","","","","1.029","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081327","11.8579","0.0005","16.24","0.0007","18.1978","0.0008","90","","92.534","0.001","90","","3501","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H48 Mo N2 O -","- C37 H48 Mo N2 O -","- C148 H192 Mo4 N8 O4 -","4","1","","Jeong, Hyangsoo; Kozera, Daniel J.; Schrock, Richard R.; Smith, Stacey J.; Zhang, Jihua; Ren, Ning; Hillmyer, Marc A.","Z-Selective Ring-Opening Metathesis Polymerization of 3-Substituted Cyclooctenes by Monoaryloxide Pyrrolide Imido Alkylidene (MAP) Catalysts of Molybdenum and Tungsten","Organometallics","2013","32","17","4843","","10.1021/om400583t","","","0.71073","MoKα","","0.0357","0.0293","","","0.0736","0.0773","","","","","","1.036","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081328","20.1307","0.0008","13.6814","0.0005","8.1695","0.0003","90","","90","","90","","2250.01","0.15","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H35 B4 Ir Zr -","- C20 H35 B4 Ir Zr -","- C80 H140 B16 Ir4 Zr4 -","4","0.5","","Anju, R. S.; Roy, Dipak Kumar; Mondal, Bijan; Ramkumar, V.; Ghosh, Sundargopal","An Early‒Late Transition Metal Hybrid Analogue of Hexaborane(12)","Organometallics","2013","32","16","4618","","10.1021/om400594d","","","0.71073","MoKα","","0.0255","0.0195","","","0.0431","0.0463","","","","","","1.033","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081329","16.417","0.0018","13.7633","0.0015","24.548","0.003","90","","104.371","0.001","90","","5373.1","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H45 B F24 N Os P -","- C53.39 H42.69 B F24.003 N0.93 Os P0.93 -","- C213.56 H170.76 B4 F96.012 N3.72 Os4 P3.72 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; López, Fernando; Mascareñas, José L.; Mozo, Silvia; Oñate, Enrique; Saya, Luc\?ía","Osmium Models of Intermediates Involved in Catalytic Reactions of Alkylidenecyclopropanes","Organometallics","2013","32","17","4851","","10.1021/om400597q","","","0.71073","MoKα","","0.1309","0.0917","","","0.1957","0.216","","","","","","1.075","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081330","19.056","0.002","17.482","0.002","34.82","0.005","90","","91.2683","0.0019","90","","11597","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H47 B Cl2 F24 N Os P -","- C56 H47 B Cl2 F23.997 N Os P -","- C448 H376 B8 Cl16 F191.976 N8 Os8 P8 -","8","1","","Esteruelas, Miguel A.; López, Ana M.; López, Fernando; Mascareñas, José L.; Mozo, Silvia; Oñate, Enrique; Saya, Luc\?ía","Osmium Models of Intermediates Involved in Catalytic Reactions of Alkylidenecyclopropanes","Organometallics","2013","32","17","4851","","10.1021/om400597q","","","0.71073","MoKα","","0.0936","0.0837","","","0.1778","0.1819","","","","","","1.098","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081331","33.789","0.009","12.687","0.004","12.974","0.004","90","","90","","90","","5562","3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C55 H45 B F24 N Os P -","- C53.85 H43.35 B F23.997 N0.95 Os P -","- C215.4 H173.4 B4 F95.988 N3.8 Os4 P4 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; López, Fernando; Mascareñas, José L.; Mozo, Silvia; Oñate, Enrique; Saya, Luc\?ía","Osmium Models of Intermediates Involved in Catalytic Reactions of Alkylidenecyclopropanes","Organometallics","2013","32","17","4851","","10.1021/om400597q","","","0.71073","MoKα","","0.0989","0.0788","","","0.2101","0.2244","","","","","","1.039","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081332","10.662","0.003","20.723","0.005","17.943","0.004","90","","96.29","0.05","90","","3940.6","1.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 B F4 N O P2 W2 -","- C42 H38 B F4 N O P2 W2 -","- C168 H152 B4 F16 N4 O4 P8 W8 -","4","1","","Cimadevilla, Fernanda; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Graiff, Claudia; Tiripicchio, Antonio","Hydrogen Atom Transfer Reactions of the Unsaturated Hydroxycarbyne Complex [W2Cp2(μ-COH)(μ-PPh2)2]BF4","Organometallics","2013","32","16","4624","","10.1021/om400598m","","","0.71073","MoKα","","0.0712","0.0386","","","0.0789","0.0886","","","","","","0.91","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081333","16.2121","0.0003","14.9124","0.0003","20.7494","0.0004","90","","92.592","0.001","90","","5011.27","0.17","150","0.02","150","0.02","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H72 Hf N2 O2 -","- C57 H72 Hf N2 O2 -","- C228 H288 Hf4 N8 O8 -","4","1","","Steelman, D. Keith; Pletcher, Paul D.; Switzer, Jeffrey M.; Xiong, Silei; Medvedev, Grigori A.; Delgass, W. Nicholas; Caruthers, James M.; Abu-Omar, Mahdi M.","Comparison of Selected Zirconium and Hafnium Amine Bis(phenolate) Catalysts for 1-Hexene Polymerization","Organometallics","2013","32","17","4862","","10.1021/om4006005","","","0.71073","MO-Kα","","0.069","0.036","","","0.068","0.075","","","","","","0.976","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4081334","12.5088","0.0011","16.8599","0.0015","18.2807","0.0017","90","","106.08","0.005","90","","3704.5","0.6","110","2","110","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H73 B P2 Ru -","- C37 H73 B P2 Ru -","- C148 H292 B4 P8 Ru4 -","4","1","","Gloaguen, Yann; Bénac-Lestrille, Gaëtan; Vendier, Laure; Helmstedt, Ulrike; Clot, Eric; Alcaraz, Gilles; Sabo-Etienne, Sylviane","Monosubstituted Borane Ruthenium Complexes RuH2(η2:η2-H2BR)(PR′3)2: A General Approach to the Geminal Bis(σ-B‒H) Coordination Mode","Organometallics","2013","32","17","4868","","10.1021/om400610k","","","0.71073","MoKα","","0.0657","0.0366","","","0.1001","0.1265","","","","","","1.063","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081335","9.5995","0.0008","12.6765","0.0012","18.1","0.0017","100.43","0.008","102.772","0.007","108.026","0.008","1967.3","0.4","120","2","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C42 H75 B P2 Ru -","- C42 H75 B P2 Ru -","- C84 H150 B2 P4 Ru2 -","2","1","","Gloaguen, Yann; Bénac-Lestrille, Gaëtan; Vendier, Laure; Helmstedt, Ulrike; Clot, Eric; Alcaraz, Gilles; Sabo-Etienne, Sylviane","Monosubstituted Borane Ruthenium Complexes RuH2(η2:η2-H2BR)(PR′3)2: A General Approach to the Geminal Bis(σ-B‒H) Coordination Mode","Organometallics","2013","32","17","4868","","10.1021/om400610k","","x-ray","0.71073","MoKα","","0.1247","0.0642","","","0.1466","0.1865","","","","","","1.024","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081336","9.8219","0.0003","16.3983","0.0004","24.5714","0.0007","90","","90","","90","","3957.53","0.19","108","","108","","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H73 B P2 Ru S -","- C40 H73 B P2 Ru S -","- C160 H292 B4 P8 Ru4 S4 -","4","1","","Gloaguen, Yann; Bénac-Lestrille, Gaëtan; Vendier, Laure; Helmstedt, Ulrike; Clot, Eric; Alcaraz, Gilles; Sabo-Etienne, Sylviane","Monosubstituted Borane Ruthenium Complexes RuH2(η2:η2-H2BR)(PR′3)2: A General Approach to the Geminal Bis(σ-B‒H) Coordination Mode","Organometallics","2013","32","17","4868","","10.1021/om400610k","","x-ray","0.71073","MoKα","","0.0637","0.0512","","","0.0912","0.0956","","","","","","1.054","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081337","8.9752","0.0014","16.3783","0.0002","10.1876","0.0013","90","","90.7989","0.0013","90","","1497.4","0.3","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","","","","- C27 H57 B P2 Ru -","- C27 H57 B P2 Ru -","- C54 H114 B2 P4 Ru2 -","2","0.5","","Gloaguen, Yann; Bénac-Lestrille, Gaëtan; Vendier, Laure; Helmstedt, Ulrike; Clot, Eric; Alcaraz, Gilles; Sabo-Etienne, Sylviane","Monosubstituted Borane Ruthenium Complexes RuH2(η2:η2-H2BR)(PR′3)2: A General Approach to the Geminal Bis(σ-B‒H) Coordination Mode","Organometallics","2013","32","17","4868","","10.1021/om400610k","","x-ray","0.71073","MoKα","","0.0175","0.0162","","","0.0432","0.0439","","","","","","1.093","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081338","11.1641","0.0008","14.5855","0.0007","26.5827","0.0009","94.553","0.005","94.383","0.003","111.545","0.006","3987.3","0.4","110","2","110","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C39 H69 B P2 Ru -","- C39 H69 B P2 Ru -","- C156 H276 B4 P8 Ru4 -","4","2","","Gloaguen, Yann; Bénac-Lestrille, Gaëtan; Vendier, Laure; Helmstedt, Ulrike; Clot, Eric; Alcaraz, Gilles; Sabo-Etienne, Sylviane","Monosubstituted Borane Ruthenium Complexes RuH2(η2:η2-H2BR)(PR′3)2: A General Approach to the Geminal Bis(σ-B‒H) Coordination Mode","Organometallics","2013","32","17","4868","","10.1021/om400610k","","x-ray","0.71073","MoKα","","0.0768","0.0512","","","0.1218","0.1331","","","","","","1.058","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081339","8.8218","0.0008","11.8264","0.001","13.2444","0.0012","90.326","0.002","103.054","0.002","103.578","0.002","1305.9","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 F6 N5 P Ru -","- C27 H22 F6 N5 P Ru -","- C54 H44 F12 N10 P2 Ru2 -","2","1","","Boff, Bastien; Ali, Moussa; Alexandrova, Larissa; Espinosa-Jalapa, Noel Ángel; Saavedra-Díaz, Rafael Omar; Le Lagadec, Ronan; Pfeffer, Michel","Rational Synthesis of Heteroleptic Tris(chelate) Ruthenium Complexes [RuII(2-Ph-2′-Py)(L∧L)(L′∧L′)]PF6by Selective Substitution of the Ligand Trans to the Ruthenated Phenyl Ring","Organometallics","2013","32","18","5092","","10.1021/om400611t","","","0.71073","MoKα","","0.0532","0.0347","","","0.0749","0.0829","","","","","","1.011","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081340","27.441","0.002","14.3073","0.0011","18.6044","0.0014","90","","96.621","0.001","90","","7255.5","0.9","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C149 H114 Cl2 F24 N20 P4 Ru4 -","- C149 H114 Cl2 F24 N20 P4 Ru4 -","- C298 H228 Cl4 F48 N40 P8 Ru8 -","2","0.25","","Boff, Bastien; Ali, Moussa; Alexandrova, Larissa; Espinosa-Jalapa, Noel Ángel; Saavedra-Díaz, Rafael Omar; Le Lagadec, Ronan; Pfeffer, Michel","Rational Synthesis of Heteroleptic Tris(chelate) Ruthenium Complexes [RuII(2-Ph-2′-Py)(L∧L)(L′∧L′)]PF6by Selective Substitution of the Ligand Trans to the Ruthenated Phenyl Ring","Organometallics","2013","32","18","5092","","10.1021/om400611t","","","0.71073","MoKα","","0.11","0.0568","","","0.1149","0.1304","","","","","","0.919","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081341","13.4534","0.0017","15.2917","0.0019","15.3176","0.0019","111.35","0.0019","92.9602","0.0019","98.317","0.002","2885.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Pd-complex","Pd-complex","","- C56 H70 N4 O17 Pd2 -","- C57.81 H66 N4 O15 Pd2 -","- C115.62 H132 N8 O30 Pd4 -","2","1","","Wang, Daoyong; Zavalij, Peter Y.; Vedernikov, Andrei N.","Aerobic C‒H Acetoxylation of 8-Methylquinoline in PdII‒Pyridinecarboxylic Acid Systems: Some Structure‒Reactivity Relationships","Organometallics","2013","32","17","4882","","10.1021/om400618n","","","0.71073","MoKα","","0.0735","0.0599","","","0.1226","0.1274","","","","","","1","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081342","8.7589","0.0004","18.6819","0.0009","22.0981","0.001","90","","90","","90","","3616","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H52 Al O P -","- C41 H52 Al O P -","- C164 H208 Al4 O4 P4 -","4","1","","Uhl, Werner; Appelt, Christian","Reactions of an Al‒P-Based Frustrated Lewis Pair with Carbonyl Compounds: Dynamic Coordination of Benzaldehyde, Activation of Benzoyl Chloride, and Al‒C Bond Cleavage with Benzamide","Organometallics","2013","32","18","5008","","10.1021/om400620h","","","1.54178","CuKα","","0.0521","0.0467","","","0.1184","0.1218","","","","","","1.037","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4081343","11.8657","0.0012","14.7612","0.0013","15.6305","0.0012","102.346","0.004","111.742","0.005","106.627","0.005","2273.9","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H70 Al O P -","- C50 H70 Al O P -","- C100 H140 Al2 O2 P2 -","2","1","","Uhl, Werner; Appelt, Christian","Reactions of an Al‒P-Based Frustrated Lewis Pair with Carbonyl Compounds: Dynamic Coordination of Benzaldehyde, Activation of Benzoyl Chloride, and Al‒C Bond Cleavage with Benzamide","Organometallics","2013","32","18","5008","","10.1021/om400620h","","","0.71073","MoKα","","0.0622","0.0459","","","0.1238","0.137","","","","","","1.058","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4081344","8.1728","0.0004","16.6678","0.0007","11.8972","0.0006","90","","104.829","0.003","90","","1566.69","0.13","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 Al2 N2 O2 -","- C30 H48 Al2 N2 O2 -","- C60 H96 Al4 N4 O4 -","2","0.5","","Uhl, Werner; Appelt, Christian","Reactions of an Al‒P-Based Frustrated Lewis Pair with Carbonyl Compounds: Dynamic Coordination of Benzaldehyde, Activation of Benzoyl Chloride, and Al‒C Bond Cleavage with Benzamide","Organometallics","2013","32","18","5008","","10.1021/om400620h","","","1.54178","CuKα","","0.0531","0.0442","","","0.1224","0.1277","","","","","","1.065","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081345","9.86","0.002","17.602","0.004","20.31","0.004","90","","91.72","0.03","90","","3523.3","1.3","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 N2 O4 Sr -","- C34 H56 N2 O4 Sr -","- C136 H224 N8 O16 Sr4 -","4","1","","Lorenz, Volker; Hrib, Cristian G.; Grote, Dirk; Hilfert, Liane; Krasnopolski, Michael; Edelmann, Frank T.","Diazadiene Complexes of the Heavy Alkaline-Earth Metals Strontium and Barium: Structures and Reactivity","Organometallics","2013","32","16","4636","","10.1021/om400622d","","","0.71073","MoKα","","0.0745","0.0558","","","0.1011","0.1065","","","","","","1.192","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081346","13.542","0.003","22.443","0.005","35.743","0.007","90","","90","","90","","10863","4","133","2","133","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H82 N4 O2 Sr -","- C56 H82 N4 O2 Sr -","- C448 H656 N32 O16 Sr8 -","8","1","","Lorenz, Volker; Hrib, Cristian G.; Grote, Dirk; Hilfert, Liane; Krasnopolski, Michael; Edelmann, Frank T.","Diazadiene Complexes of the Heavy Alkaline-Earth Metals Strontium and Barium: Structures and Reactivity","Organometallics","2013","32","16","4636","","10.1021/om400622d","","","0.71073","MoKα","","0.1024","0.0618","","","0.1008","0.1114","","","","","","1.092","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081347","22.306","0.005","13.282","0.003","20.093","0.004","90","","113.1","0.03","90","","5476","2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H82 Ba N4 O2 -","- C56 H82 Ba N4 O2 -","- C224 H328 Ba4 N16 O8 -","4","1","","Lorenz, Volker; Hrib, Cristian G.; Grote, Dirk; Hilfert, Liane; Krasnopolski, Michael; Edelmann, Frank T.","Diazadiene Complexes of the Heavy Alkaline-Earth Metals Strontium and Barium: Structures and Reactivity","Organometallics","2013","32","16","4636","","10.1021/om400622d","","","0.71073","MoKα","","0.0539","0.0441","","","0.0717","0.0746","","","","","","1.122","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081348","13.935","0.003","12.342","0.003","22.49","0.005","90","","95.62","0.03","90","","3849.4","1.5","133","2","133","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C82 H92 Ho Li2 N2 O8 Si4 -","- C82 H92 Ho Li2 N2 O8 Si4 -","- C164 H184 Ho2 Li4 N4 O16 Si8 -","2","0.5","","Lorenz, Volker; Hrib, Cristian G.; Grote, Dirk; Hilfert, Liane; Krasnopolski, Michael; Edelmann, Frank T.","Diazadiene Complexes of the Heavy Alkaline-Earth Metals Strontium and Barium: Structures and Reactivity","Organometallics","2013","32","16","4636","","10.1021/om400622d","","","0.71073","MoKα","","0.0499","0.0402","","","0.0914","0.0944","","","","","","1.025","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081349","13.079","0.003","15.663","0.003","15.731","0.003","90","","90","","90","","3222.6","1.1","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Cl2 Fe N2 O4 -","- C34 H38 Cl2 Fe N2 O4 -","- C136 H152 Cl8 Fe4 N8 O16 -","4","1","","César, Vincent; Misal Castro, Luis C.; Dombray, Thomas; Sortais, Jean-Baptiste; Darcel, Christophe; Labat, Stéphane; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","(Cyclopentadienyl)iron(II) Complexes of N-Heterocyclic Carbenes Bearing a Malonate or Imidate Backbone: Synthesis, Structure, and Catalytic Potential in Hydrosilylation","Organometallics","2013","32","16","4643","","10.1021/om400625q","","x-ray","0.71073","MoKα","","0.023","0.0222","","","0.0588","0.0594","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081350","9.6895","0.0008","9.9041","0.0008","14.4926","0.0012","109.6","0.003","101.558","0.004","96.302","0.003","1259.82","0.18","100","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Fe N2 O4 -","- C30 H30 Fe N2 O4 -","- C60 H60 Fe2 N4 O8 -","2","1","","César, Vincent; Misal Castro, Luis C.; Dombray, Thomas; Sortais, Jean-Baptiste; Darcel, Christophe; Labat, Stéphane; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","(Cyclopentadienyl)iron(II) Complexes of N-Heterocyclic Carbenes Bearing a Malonate or Imidate Backbone: Synthesis, Structure, and Catalytic Potential in Hydrosilylation","Organometallics","2013","32","16","4643","","10.1021/om400625q","","x-ray","0.71069","MoKα","","0.0132","0.0132","","","0.0169","0.0169","","","","","","1.052","","","","has coordinates","288073","2023-12-06","14:02:46",""
"4081351","9.5746","0.0003","15.8303","0.0005","16.3931","0.0006","90","","93.601","0.001","90","","2479.78","0.14","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 Fe N3 O4 -","- C28 H27 Fe N3 O4 -","- C112 H108 Fe4 N12 O16 -","4","1","","César, Vincent; Misal Castro, Luis C.; Dombray, Thomas; Sortais, Jean-Baptiste; Darcel, Christophe; Labat, Stéphane; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","(Cyclopentadienyl)iron(II) Complexes of N-Heterocyclic Carbenes Bearing a Malonate or Imidate Backbone: Synthesis, Structure, and Catalytic Potential in Hydrosilylation","Organometallics","2013","32","16","4643","","10.1021/om400625q","","x-ray","0.71073","MoKα","","0.0321","0.0278","","","0.0741","0.078","","","","","","1.037","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081352","12.5292","0.0005","15.1526","0.0006","16.9812","0.0006","90","","109.835","0.002","90","","3032.6","0.2","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 F3 Fe N3 O7 S -","- C30 H30 F3 Fe N3 O7 S -","- C120 H120 F12 Fe4 N12 O28 S4 -","4","1","","César, Vincent; Misal Castro, Luis C.; Dombray, Thomas; Sortais, Jean-Baptiste; Darcel, Christophe; Labat, Stéphane; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","(Cyclopentadienyl)iron(II) Complexes of N-Heterocyclic Carbenes Bearing a Malonate or Imidate Backbone: Synthesis, Structure, and Catalytic Potential in Hydrosilylation","Organometallics","2013","32","16","4643","","10.1021/om400625q","","x-ray","0.71073","MoKα","","0.034","0.0277","","","0.0721","0.0765","","","","","","1.034","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081353","10.22","0.003","18.392","0.005","15.764","0.004","90","","90.687","0.005","90","","2962.9","1.4","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Cl N Ni P2 -","- C30 H50 Cl N Ni P2 -","- C120 H200 Cl4 N4 Ni4 P8 -","4","1","","Venkanna, Gopaladasu T.; Tammineni, Swetha; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis, Characterization, and Catalytic Activity of Nickel(II) Alkyl Complexes Supported by Pyrrole‒Diphosphine Ligands","Organometallics","2013","32","16","4656","","10.1021/om400630q","","","0.71073","MoKα","","0.0525","0.0467","","","0.1066","0.1108","","","","","","1.031","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081354","10.235","0.009","18.3915","0.0017","15.8029","0.0014","90","","90.6379","0.0014","90","","2975","3","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H53 N Ni P2 -","- C31 H53 N Ni P2 -","- C124 H212 N4 Ni4 P8 -","4","1","","Venkanna, Gopaladasu T.; Tammineni, Swetha; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis, Characterization, and Catalytic Activity of Nickel(II) Alkyl Complexes Supported by Pyrrole‒Diphosphine Ligands","Organometallics","2013","32","16","4656","","10.1021/om400630q","","","0.71073","MoKα","","0.0392","0.0357","","","0.0946","0.0993","","","","","","0.996","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081355","10.7014","0.0014","14.379","0.0019","20.688","0.003","99.531","0.002","90.6768","0.0012","109.668","0.003","2948.4","0.7","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H64.8 N2 Ni2 P4 -","- C70 H64.8 N2 Ni2 P4 -","- C140 H129.6 N4 Ni4 P8 -","2","1","","Venkanna, Gopaladasu T.; Tammineni, Swetha; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis, Characterization, and Catalytic Activity of Nickel(II) Alkyl Complexes Supported by Pyrrole‒Diphosphine Ligands","Organometallics","2013","32","16","4656","","10.1021/om400630q","","","0.71073","MoKα","","0.0435","0.039","","","0.0992","0.1033","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081356","11.562","0.0009","17.6183","0.0015","16.6864","0.0014","90","","90","","90","","3399.1","0.5","98","2","98","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C37 H57 N Ni P2 -","- C37 H57 N Ni P2 -","- C148 H228 N4 Ni4 P8 -","4","1","","Venkanna, Gopaladasu T.; Tammineni, Swetha; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis, Characterization, and Catalytic Activity of Nickel(II) Alkyl Complexes Supported by Pyrrole‒Diphosphine Ligands","Organometallics","2013","32","16","4656","","10.1021/om400630q","","","0.71073","MoKα","","0.0273","0.0267","","","0.0626","0.063","","","","","","0.99","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081357","10.0884","0.0008","15.2791","0.0013","19.3095","0.0017","90","","102.637","0.0015","90","","2904.3","0.4","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N Ni P2 -","- C36 H31 N Ni P2 -","- C144 H124 N4 Ni4 P8 -","4","1","","Venkanna, Gopaladasu T.; Tammineni, Swetha; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis, Characterization, and Catalytic Activity of Nickel(II) Alkyl Complexes Supported by Pyrrole‒Diphosphine Ligands","Organometallics","2013","32","16","4656","","10.1021/om400630q","","","0.71073","MoKα","","0.0296","0.0282","","","0.0756","0.0772","","","","","","1.013","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081358","16.695","0.003","15.595","0.003","12.176","0.002","90","","93.919","0.003","90","","3162.7","1","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N Ni P2 -","- C33 H50 N Ni P2 -","- C132 H200 N4 Ni4 P8 -","4","1","","Venkanna, Gopaladasu T.; Tammineni, Swetha; Arman, Hadi D.; Tonzetich, Zachary J.","Synthesis, Characterization, and Catalytic Activity of Nickel(II) Alkyl Complexes Supported by Pyrrole‒Diphosphine Ligands","Organometallics","2013","32","16","4656","","10.1021/om400630q","","","0.71073","MoKα","","0.0357","0.0338","","","0.0835","0.0855","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081359","14.8881","0.0004","12.242","0.0004","20.6738","0.0006","90","","94.951","0.002","90","","3753.95","0.19","123","1","123","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","","","","- C40 H42 F6 Fe O2 P4 -","- C40 H42 F6 Fe O2 P4 -","- C160 H168 F24 Fe4 O8 P16 -","4","2","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Balázs, Gábor; Bodensteiner, Michael","Tuning the Dissociation of the Fe‒PPh2(OR) Bond in Chiral-at-Metal Complexes [CpFe(Prophos)PPh2(OR)]PF6(R = Me, Et,iPr,tBu). The Preparative Trick of N2Bubbling","Organometallics","2013","32","17","4904","","10.1021/om400631m","","x-ray","1.54184","CuKα","","0.0527","0.0487","","","0.1276","0.1329","","","","","","1.014","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081360","11.36","0.004","18.091","0.005","11.767","0.003","90","","107.386","0.01","90","","2307.8","1.2","173","2","173","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C49 H52 F6 Fe O3 P4 -","- C49 H52 F6 Fe O3 P4 -","- C98 H104 F12 Fe2 O6 P8 -","2","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Balázs, Gábor; Bodensteiner, Michael","Tuning the Dissociation of the Fe‒PPh2(OR) Bond in Chiral-at-Metal Complexes [CpFe(Prophos)PPh2(OR)]PF6(R = Me, Et,iPr,tBu). The Preparative Trick of N2Bubbling","Organometallics","2013","32","17","4904","","10.1021/om400631m","","x-ray","0.71073","MoKα","","0.06","0.0476","","","0.0935","0.1063","","","","","","1.066","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081361","9.716","0.00001","16.0141","0.0001","29.1646","0.0002","90","","90","","90","","4537.81","0.04","123","1","123","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H46 F6 Fe O P4 -","- C46 H46 F6 Fe O P4 -","- C184 H184 F24 Fe4 O4 P16 -","4","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Balázs, Gábor; Bodensteiner, Michael","Tuning the Dissociation of the Fe‒PPh2(OR) Bond in Chiral-at-Metal Complexes [CpFe(Prophos)PPh2(OR)]PF6(R = Me, Et,iPr,tBu). The Preparative Trick of N2Bubbling","Organometallics","2013","32","17","4904","","10.1021/om400631m","","x-ray","1.54178","CuKα","","0.026","0.026","","","0.066","0.0661","","","","","","1.043","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081362","9.8728","0.0002","14.7452","0.0003","31.4174","0.0005","90","","90","","90","","4573.63","0.15","123","1","123","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H48 F6 Fe O P4 -","- C47 H48 F6 Fe O P4 -","- C188 H192 F24 Fe4 O4 P16 -","4","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Balázs, Gábor; Bodensteiner, Michael","Tuning the Dissociation of the Fe‒PPh2(OR) Bond in Chiral-at-Metal Complexes [CpFe(Prophos)PPh2(OR)]PF6(R = Me, Et,iPr,tBu). The Preparative Trick of N2Bubbling","Organometallics","2013","32","17","4904","","10.1021/om400631m","","x-ray","1.54184","CuKα","","0.0449","0.0356","","","0.0795","0.0832","","","","","","1.016","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081363","10.594","0.005","19.124","0.005","20.771","0.005","90","","90","","90","","4208","2","173","2","173","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C44 H42 F6 Fe P4 -","- C44 H42 F6 Fe P4 -","- C176 H168 F24 Fe4 P16 -","4","1","","Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Balázs, Gábor; Bodensteiner, Michael","Tuning the Dissociation of the Fe‒PPh2(OR) Bond in Chiral-at-Metal Complexes [CpFe(Prophos)PPh2(OR)]PF6(R = Me, Et,iPr,tBu). The Preparative Trick of N2Bubbling","Organometallics","2013","32","17","4904","","10.1021/om400631m","","x-ray","0.71073","MoKα","","0.158","0.0769","","","0.1142","0.1409","","","","","","1.043","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081364","11.60504","0.00008","11.60504","0.00008","24.7296","0.0002","90","","90","","120","","2884.3","0.04","100","2","100","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C14 H22 F3 N3 O4 Pd S -","- C14 H22 F3 N3 O4 Pd S -","- C84 H132 F18 N18 O24 Pd6 S6 -","6","1","","Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones","Organometallics","2013","32","16","4664","","10.1021/om4006406","","","1.54184","CuKα","","0.0145","0.0144","","","0.0373","0.0374","","","","","","1.052","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081365","17.7877","0.0007","12.4571","0.0003","15.684","0.0006","90","","124.139","0.006","90","","2876.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H21.34 N3 O1.17 Pd -","- C13 H21 N3 O1.173 Pd -","- C104 H168 N24 O9.384 Pd8 -","8","1","","Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones","Organometallics","2013","32","16","4664","","10.1021/om4006406","","","0.71073","MoKα","","0.0279","0.0223","","","0.0504","0.0531","","","","","","1.078","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081366","28.1406","0.0008","9.4389","0.0003","19.7762","0.0006","90","","90","","90","","5252.9","0.3","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C23 H30 F3 N3 O4 Pd S -","- C23 H30 F3 N3 O4 Pd S -","- C184 H240 F24 N24 O32 Pd8 S8 -","8","1","","Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones","Organometallics","2013","32","16","4664","","10.1021/om4006406","","","0.71073","MoKα","","0.0459","0.0306","","","0.0601","0.0673","","","","","","1.149","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081367","17.8564","0.0004","16.0031","0.0004","19.9027","0.0004","90","","90","","90","","5687.4","0.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C25 H32 F3 N3 O6 Pd S -","- C25 H32 F3 N3 O6 Pd S -","- C200 H256 F24 N24 O48 Pd8 S8 -","8","1","","Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones","Organometallics","2013","32","16","4664","","10.1021/om4006406","","","0.71073","MoKα","","0.0437","0.029","","","0.0586","0.0656","","","","","","1.068","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081368","8.8386","0.001","9.213","0.001","10.065","0.001","115.14","0.01","105.462","0.01","98.329","0.01","683.09","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C36 H30 N2 O4 -","2","1","","Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones","Organometallics","2013","32","16","4664","","10.1021/om4006406","","","1.54184","CuKα","","0.0332","0.0318","","","0.0799","0.0812","","","","","","1.028","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081369","8.5887","0.0002","13.2148","0.0004","15.8792","0.0004","99.44","0.002","96.959","0.002","96.003","0.002","1750.44","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N O5 -","- C20 H19 N O5 -","- C80 H76 N4 O20 -","4","2","","Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones","Organometallics","2013","32","16","4664","","10.1021/om4006406","","","0.71073","MoKα","","0.0682","0.0443","","","0.0958","0.1085","","","","","","1.027","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081370","18.1799","0.0002","8.36643","0.0001","15.776","0.0002","90","","90","","90","","2399.54","0.05","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H31 Cl2 N3 O5 Pd -","- C21 H31 Cl2 N3 O5 Pd -","- C84 H124 Cl8 N12 O20 Pd4 -","4","1","","Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones","Organometallics","2013","32","16","4664","","10.1021/om4006406","","","0.71073","MoKα","","0.0186","0.0167","","","0.0394","0.0404","","","","","","1.069","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081371","10.2315","0.0006","6.8252","0.0004","18.2358","0.0011","90","","104.125","0.006","90","","1234.94","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O5 -","- C14 H13 N O5 -","- C56 H52 N4 O20 -","4","1","","Frutos-Pedre Roberto; González-Herrero, Pablo; Vicente, José; Jones, Peter G.","Reactivity of Ortho-Palladated Benzamides toward CO, Isocyanides, and Alkynes. Synthesis of Functionalized Isoindolin-1-ones and 4,5-Disubstituted Benzo[c]azepine-1,3-diones","Organometallics","2013","32","16","4664","","10.1021/om4006406","","","1.54184","CuKα","","0.0374","0.032","","","0.0859","0.0903","","","","","","1.027","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081372","13.87","0.003","15.551","0.003","26.186","0.005","92.25","0.03","104.54","0.03","101.13","0.03","5341","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C108 H88 Ag2 Au2 Cl7 N3 O8 P6 -","- C108 H88 Ag2 Au2 Cl7 N3 O8 P6 -","- C216 H176 Ag4 Au4 Cl14 N6 O16 P12 -","2","1","","Jiang, Yi; Wang, Yong-Tao; Ma, Zheng-Gen; Li, Zhi-Hong; Wei, Qiao-Hua; Chen, Guo-Nan","New Luminescent Ag2Au2Heteronuclear Alkynyl‒Phosphine Complexes and Recognition of Homocysteine and Cysteine","Organometallics","2013","32","17","4919","","10.1021/om400646p","","","0.71073","synchrotron","","0.0294","0.0287","","","0.0747","0.0757","","","","","","1.046","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081373","14.378","0.003","15.926","0.003","25.695","0.005","81.46","0.03","77.85","0.03","87.22","0.03","5687","2","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C113 H96.5 Ag2 Au2 Cl4 F0 N3 O13.5 P6 -","- C113 H96.5 Ag2 Au2 Cl4 N3 O13.5 P6 -","- C226 H193 Ag4 Au4 Cl8 N6 O27 P12 -","2","1","","Jiang, Yi; Wang, Yong-Tao; Ma, Zheng-Gen; Li, Zhi-Hong; Wei, Qiao-Hua; Chen, Guo-Nan","New Luminescent Ag2Au2Heteronuclear Alkynyl‒Phosphine Complexes and Recognition of Homocysteine and Cysteine","Organometallics","2013","32","17","4919","","10.1021/om400646p","","","0.71073","synchrotron","","0.0366","0.0358","","","0.1005","0.1011","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081374","26.039","0.005","15.445","0.003","26.79","0.005","90","","100.79","0.03","90","","10584","4","193","2","193","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C113 H99 Ag2 Au2 Cl2 N3 O12 P6 -","- C113 H99 Ag2 Au2 Cl2 N3 O12 P6 -","- C452 H396 Ag8 Au8 Cl8 N12 O48 P24 -","4","0.5","","Jiang, Yi; Wang, Yong-Tao; Ma, Zheng-Gen; Li, Zhi-Hong; Wei, Qiao-Hua; Chen, Guo-Nan","New Luminescent Ag2Au2Heteronuclear Alkynyl‒Phosphine Complexes and Recognition of Homocysteine and Cysteine","Organometallics","2013","32","17","4919","","10.1021/om400646p","","","0.71073","synchrotron","","0.0235","0.0218","","","0.0575","0.0581","","","","","","1.066","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081375","11.02","0.0001","9.334","0.0002","21.803","0.0004","90","","102.602","0.001","90","","2188.64","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 N4 P2 Ru -","- C50 H56 N4 P2 Ru -","- C100 H112 N8 P4 Ru2 -","2","0.5","","Davies, Caroline J. E.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Synthesis and Small Molecule Reactivity oftrans-Dihydride Isomers of Ru(NHC)2(PPh3)2H2(NHC = N-Heterocyclic Carbene)","Organometallics","2013","32","17","4927","","10.1021/om400648x","","","0.71073","MoKα","","0.0408","0.0288","","","0.0661","0.0718","","","","","","1.034","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081376","44.821","0.0003","11.538","0.0001","25.176","0.0002","90","","117.471","0.001","90","","11551.6","0.19","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H76 N4 P2 Ru -","- C66 H76 N4 P2 Ru -","- C528 H608 N32 P16 Ru8 -","8","1","","Davies, Caroline J. E.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Synthesis and Small Molecule Reactivity oftrans-Dihydride Isomers of Ru(NHC)2(PPh3)2H2(NHC = N-Heterocyclic Carbene)","Organometallics","2013","32","17","4927","","10.1021/om400648x","","","0.71073","MoKα","","0.0707","0.0395","","","0.0826","0.0953","","","","","","1.018","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081377","12.7857","0.0007","19.0077","0.0013","14.8084","0.0005","90","","102.987","0.003","90","","3506.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 N4 O P Ru -","- C37 H49 N4 O P Ru -","- C148 H196 N16 O4 P4 Ru4 -","4","1","","Davies, Caroline J. E.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Synthesis and Small Molecule Reactivity oftrans-Dihydride Isomers of Ru(NHC)2(PPh3)2H2(NHC = N-Heterocyclic Carbene)","Organometallics","2013","32","17","4927","","10.1021/om400648x","","","0.71073","MoKα","","0.0687","0.0414","","","0.0795","0.0883","","","","","","1.026","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081378","12.4656","0.0006","12.8695","0.0005","23.6891","0.0009","90","","98.671","0.004","90","","3756.9","0.3","150","2","149.9","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 N4 O2 P Ru -","- C40 H52 N4 O2 P Ru -","- C160 H208 N16 O8 P4 Ru4 -","4","1","","Davies, Caroline J. E.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Synthesis and Small Molecule Reactivity oftrans-Dihydride Isomers of Ru(NHC)2(PPh3)2H2(NHC = N-Heterocyclic Carbene)","Organometallics","2013","32","17","4927","","10.1021/om400648x","","","0.7107","MoKα","","0.0935","0.0445","","","0.0767","0.0916","","","","","","1.011","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081379","17.886","0.0005","11.528","0.0004","12.189","0.0005","90","","112.726","0.002","90","","2318.13","0.14","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C50 H55 I N4 P2 Ru -","- C50 H55 I N4 P2 Ru -","- C100 H110 I2 N8 P4 Ru2 -","2","0.5","","Davies, Caroline J. E.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Synthesis and Small Molecule Reactivity oftrans-Dihydride Isomers of Ru(NHC)2(PPh3)2H2(NHC = N-Heterocyclic Carbene)","Organometallics","2013","32","17","4927","","10.1021/om400648x","","","0.71073","MoKα","","0.0302","0.0261","","","0.0643","0.0667","","","","","","1.084","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081380","10.685","0.0003","14.107","0.0003","18.63","0.0005","86.423","0.001","81.838","0.001","74.35","0.001","2675.81","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H69 I N4 P2 Ru -","- C60 H69 I N4 P2 Ru -","- C120 H138 I2 N8 P4 Ru2 -","2","1","","Davies, Caroline J. E.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Synthesis and Small Molecule Reactivity oftrans-Dihydride Isomers of Ru(NHC)2(PPh3)2H2(NHC = N-Heterocyclic Carbene)","Organometallics","2013","32","17","4927","","10.1021/om400648x","","","0.71073","MoKα","","0.0709","0.0414","","","0.0899","0.1023","","","","","","1.014","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081381","9.174","0.0001","22.092","0.0005","20.911","0.0005","90","","99.051","0.001","90","","4185.3","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 I N2 O0.5 P2 Ru -","- C47 H47 I N2 O0.5 P2 Ru -","- C188 H188 I4 N8 O2 P8 Ru4 -","4","1","","Davies, Caroline J. E.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Synthesis and Small Molecule Reactivity oftrans-Dihydride Isomers of Ru(NHC)2(PPh3)2H2(NHC = N-Heterocyclic Carbene)","Organometallics","2013","32","17","4927","","10.1021/om400648x","","","0.71073","MoKα","","0.0526","0.033","","","0.065","0.0715","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081382","12.639","0.0002","18.5257","0.0003","14.3977","0.0003","90","","102.433","0.001","90","","3292.11","0.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 N4 O4 P Ru -","- C34 H39 N4 O4 P Ru -","- C136 H156 N16 O16 P4 Ru4 -","4","1","","Davies, Caroline J. E.; Lowe, John P.; Mahon, Mary F.; Poulten, Rebecca C.; Whittlesey, Michael K.","Synthesis and Small Molecule Reactivity oftrans-Dihydride Isomers of Ru(NHC)2(PPh3)2H2(NHC = N-Heterocyclic Carbene)","Organometallics","2013","32","17","4927","","10.1021/om400648x","","","0.71073","MoKα","","0.0634","0.0419","","","0.0935","0.1014","","","","","","1.069","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081383","11.896","0.003","19.187","0.004","18.448","0.004","90","","99.045","0.005","90","","4158.4","1.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H71 Li4 N10 -","- C33 H71 Li4 N10 -","- C132 H284 Li16 N40 -","4","1","","Guo, Zhiqiang; Liu, Qiao; Wei, Xuehong; Zhang, Yongbin; Tong, Hongbo; Chao, Jianbin; Guo, Jianping; Liu, Diansheng","2-Aminopyrrolyl Dilithium Compounds: Synthesis, Structural Diversity, and Catalytic Activity for Amidation of Aldehydes with Amines","Organometallics","2013","32","16","4677","","10.1021/om4006609","","","0.71073","MoKα","","0.1716","0.0795","","","0.1997","0.2409","","","","","","1.173","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081384","9.678","0.004","19.191","0.007","18.617","0.007","90","","104.494","0.009","90","","3348","2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 Li4 N8 -","- C26 H52 Li4 N8 -","- C104 H208 Li16 N32 -","4","1","","Guo, Zhiqiang; Liu, Qiao; Wei, Xuehong; Zhang, Yongbin; Tong, Hongbo; Chao, Jianbin; Guo, Jianping; Liu, Diansheng","2-Aminopyrrolyl Dilithium Compounds: Synthesis, Structural Diversity, and Catalytic Activity for Amidation of Aldehydes with Amines","Organometallics","2013","32","16","4677","","10.1021/om4006609","","","0.71073","MoKα","","0.2396","0.0743","","","0.1855","0.2712","","","","","","0.972","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081385","25.849","0.005","10.452","0.002","17.811","0.007","90","","128.923","0.003","90","","3743.7","1.8","234","2","234","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H60 Li4 N8 -","- C30 H60 Li4 N8 -","- C120 H240 Li16 N32 -","4","0.5","","Guo, Zhiqiang; Liu, Qiao; Wei, Xuehong; Zhang, Yongbin; Tong, Hongbo; Chao, Jianbin; Guo, Jianping; Liu, Diansheng","2-Aminopyrrolyl Dilithium Compounds: Synthesis, Structural Diversity, and Catalytic Activity for Amidation of Aldehydes with Amines","Organometallics","2013","32","16","4677","","10.1021/om4006609","","","0.71073","MoKα","","0.1403","0.0844","","","0.2468","0.3077","","","","","","0.982","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081386","9.816","0.004","10.545","0.005","17.265","0.007","90","","103.845","0.009","90","","1735.2","1.3","233","2","233","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H56 Li4 N8 -","- C28 H54.024 Li4 N8 -","- C56 H108.048 Li8 N16 -","2","0.5","","Guo, Zhiqiang; Liu, Qiao; Wei, Xuehong; Zhang, Yongbin; Tong, Hongbo; Chao, Jianbin; Guo, Jianping; Liu, Diansheng","2-Aminopyrrolyl Dilithium Compounds: Synthesis, Structural Diversity, and Catalytic Activity for Amidation of Aldehydes with Amines","Organometallics","2013","32","16","4677","","10.1021/om4006609","","","0.71073","MoKα","","0.1017","0.0603","","","0.1558","0.1834","","","","","","1.01","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081387","8.702","0.005","10.401","0.006","12.394","0.007","70.406","0.011","82.706","0.012","71.35","0.01","1001.1","1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H64 Li4 N8 -","- C34 H64 Li4 N8 -","- C34 H64 Li4 N8 -","1","0.5","","Guo, Zhiqiang; Liu, Qiao; Wei, Xuehong; Zhang, Yongbin; Tong, Hongbo; Chao, Jianbin; Guo, Jianping; Liu, Diansheng","2-Aminopyrrolyl Dilithium Compounds: Synthesis, Structural Diversity, and Catalytic Activity for Amidation of Aldehydes with Amines","Organometallics","2013","32","16","4677","","10.1021/om4006609","","","0.71073","MoKα","","0.2298","0.0909","","","0.2439","0.3258","","","","","","0.95","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081388","13.6445","0.0005","24.8208","0.0007","8.2145","0.0003","90","","90","","90","","2781.98","0.16","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C21 H26.5 F6 N6.5 O3 P Ru -","- C21 H26.5 F6 N6.5 O3 P Ru -","- C84 H106 F24 N26 O12 P4 Ru4 -","4","1","","Kraack, Marianne; Harms, Klaus; Meggers, Eric","Reductive Labilization of a Cyclometalating Ligand Applied to Auxiliary-Mediated Asymmetric Coordination Chemistry","Organometallics","2013","32","18","5103","","10.1021/om4006627","","","0.71073","MoKα","","0.0297","0.0233","","","0.0473","0.048","","","","","","0.881","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081389","10.124","0.002","17.374","0.003","22.971","0.005","90","","90","","90","","4040.5","1.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 Cl2 F6 N5 O3 P2 Ru -","- C37 H39 Cl2 F6 N5 O3 P2 Ru -","- C148 H156 Cl8 F24 N20 O12 P8 Ru4 -","4","1","","Kraack, Marianne; Harms, Klaus; Meggers, Eric","Reductive Labilization of a Cyclometalating Ligand Applied to Auxiliary-Mediated Asymmetric Coordination Chemistry","Organometallics","2013","32","18","5103","","10.1021/om4006627","","","0.71073","MoKα","","0.0504","0.0351","","","0.0589","0.0629","","","","","","0.998","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081390","13.6846","0.0014","14.8157","0.0018","28.691","0.004","90","","90","","90","","5817","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C68 H67 B N6 O4 Ru -","- C68 H67 B N6 O4 Ru -","- C272 H268 B4 N24 O16 Ru4 -","4","1","","Kraack, Marianne; Harms, Klaus; Meggers, Eric","Reductive Labilization of a Cyclometalating Ligand Applied to Auxiliary-Mediated Asymmetric Coordination Chemistry","Organometallics","2013","32","18","5103","","10.1021/om4006627","","","0.71073","MoKα","","0.2344","0.0569","","","0.0895","0.1418","","","","","","0.587","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081391","11.9988","0.0003","13.0488","0.0004","13.3379","0.0004","97.953","0.001","111.744","0.002","111.494","0.002","1711.66","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H106 Mg2 N4 -","- C76 H106 Mg2 N4 -","- C76 H106 Mg2 N4 -","1","0.5","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; MacDougall, Dugald J.; Mahon, Mary F.","Catalytic and Stoichiometric Cumulene Formation within Dimeric Group 2 Acetylides","Organometallics","2013","32","17","4961","","10.1021/om400678d","","","0.71073","MoKα","","0.1416","0.1226","","","0.2951","0.3105","","","","","","1.097","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081392","14.3722","0.0002","14.2901","0.0002","16.8881","0.0003","90","","97.274","0.001","90","","3440.57","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C77 H108 Mg2 N4 -","- C77 H108 Mg2 N4 -","- C154 H216 Mg4 N8 -","2","0.5","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; MacDougall, Dugald J.; Mahon, Mary F.","Catalytic and Stoichiometric Cumulene Formation within Dimeric Group 2 Acetylides","Organometallics","2013","32","17","4961","","10.1021/om400678d","","","0.71073","MoKα","","0.053","0.0423","","","0.1071","0.1163","","","","","","1.028","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081393","14.1316","0.0002","13.3135","0.0002","17.7484","0.0003","90","","98.741","0.001","90","","3300.42","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H92 Mg2 N4 -","- C74 H92 Mg2 N4 -","- C148 H184 Mg4 N8 -","2","0.5","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; MacDougall, Dugald J.; Mahon, Mary F.","Catalytic and Stoichiometric Cumulene Formation within Dimeric Group 2 Acetylides","Organometallics","2013","32","17","4961","","10.1021/om400678d","","","0.71073","MoKα","","0.0685","0.05","","","0.122","0.1337","","","","","","1.031","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081394","17.6079","0.0006","20.0029","0.0008","11.5326","0.0004","90","","124.421","0.003","90","","3350.7","0.2","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C72 H97 Mg2 N4 O2 -","- C72 H99 Mg2 N4 O2 -","- C144 H198 Mg4 N8 O4 -","2","0.25","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; MacDougall, Dugald J.; Mahon, Mary F.","Catalytic and Stoichiometric Cumulene Formation within Dimeric Group 2 Acetylides","Organometallics","2013","32","17","4961","","10.1021/om400678d","","","0.71073","MoKα","","0.1324","0.0681","","","0.1659","0.1911","","","","","","1.038","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081395","13.7431","0.0002","13.977","0.0002","18.3671","0.0004","94.834","0.001","97.066","0.001","95.344","0.001","3469.67","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H99 Mg2 N4 O2 -","- C79 H99 Mg2 N4 O2 -","- C158 H198 Mg4 N8 O4 -","2","1","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; MacDougall, Dugald J.; Mahon, Mary F.","Catalytic and Stoichiometric Cumulene Formation within Dimeric Group 2 Acetylides","Organometallics","2013","32","17","4961","","10.1021/om400678d","","","0.71073","MoKα","","0.0914","0.0526","","","0.1113","0.1291","","","","","","1.027","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081396","17.6437","0.0006","19.7919","0.0009","11.6167","0.0005","90","","122.911","0.002","90","","3405.6","0.3","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C74 H104 Mg2 N6 -","- C74 H104 Mg2 N6 -","- C148 H208 Mg4 N12 -","2","0.25","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; MacDougall, Dugald J.; Mahon, Mary F.","Catalytic and Stoichiometric Cumulene Formation within Dimeric Group 2 Acetylides","Organometallics","2013","32","17","4961","","10.1021/om400678d","","","0.71073","MoKα","","0.14","0.1245","","","0.2611","0.2686","","","","","","1.144","","","","has coordinates,has disorder","178702","2020-10-21","18:00:00",""
"4081397","14.5832","0.0002","13.6656","0.0002","18.4258","0.0003","90","","106.054","0.001","90","","3528.84","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H96 Ca2 N4 O2 -","- C76 H96 Ca2 N4 O2 -","- C152 H192 Ca4 N8 O4 -","2","0.5","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; MacDougall, Dugald J.; Mahon, Mary F.","Catalytic and Stoichiometric Cumulene Formation within Dimeric Group 2 Acetylides","Organometallics","2013","32","17","4961","","10.1021/om400678d","","","0.71073","MoKα","","0.0682","0.0452","","","0.1104","0.123","","","","","","1.026","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081398","11.8484","0.0004","13.0646","0.0005","13.4038","0.0006","98.268","0.001","109.38","0.002","110.718","0.002","1748.65","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H104 Ca2 N6 -","- C74 H104 Ca2 N6 -","- C74 H104 Ca2 N6 -","1","0.5","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; MacDougall, Dugald J.; Mahon, Mary F.","Catalytic and Stoichiometric Cumulene Formation within Dimeric Group 2 Acetylides","Organometallics","2013","32","17","4961","","10.1021/om400678d","","","0.71073","MoKα","","0.1387","0.0885","","","0.2079","0.247","","","","","","1.033","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081399","9.1863","0.0003","9.6764","0.0004","13.1755","0.0005","96.909","0.002","98.009","0.002","95.833","0.002","1142.95","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H46 Mg3 O2 -","- C56 H46 Mg3 O2 -","- C56 H46 Mg3 O2 -","1","0.5","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; MacDougall, Dugald J.; Mahon, Mary F.","Catalytic and Stoichiometric Cumulene Formation within Dimeric Group 2 Acetylides","Organometallics","2013","32","17","4961","","10.1021/om400678d","","","0.71073","MoKα","","0.1359","0.0583","","","0.114","0.1411","","","","","","1.012","","","","has coordinates","178702","2020-10-21","18:00:00",""
"4081400","12.2898","0.0004","11.5783","0.0005","26.8427","0.001","90","","94.162","0.003","90","","3809.5","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H46 F3 Fe N4 O3 S -","- C39 H46 F3 Fe N4 O3 S -","- C156 H184 F12 Fe4 N16 O12 S4 -","4","1","","Cao, Zhi; Fanwick, Phillip E.; Forrest, William P.; Gao, Yang; Ren, Tong","New Fe(III)(cyclam) Complexes Bearing Axially Boundgeminal-Diethynylethenes","Organometallics","2013","32","16","4684","","10.1021/om400683d","","","1.54178","CuKα","","0.0896","0.0658","","","0.172","0.1898","","","","","","1.048","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081401","26.4612","0.0007","15.0518","0.0004","16.9005","0.0012","90","","94.665","0.007","90","","6709","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C76 H98 N4 Pd2 -","- C76 H98 N4 Pd2 -","- C304 H392 N16 Pd8 -","4","0.5","","Dai, Wei; Chalkley, Matthew J.; Brudvig, Gary W.; Hazari, Nilay; Melvin, Patrick R.; Pokhrel, Ravi; Takase, Michael K.","Synthesis and Properties of NHC-Supported Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","18","5114","","10.1021/om400687m","","","0.71075","MoKα","","0.0455","0.0373","","","0.0723","0.0748","","","","","","1.116","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081402","19.0156","0.0013","18.4373","0.0004","18.1286","0.0003","90","","97.804","0.007","90","","6297","0.5","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C73 H92 N4 Pd2 -","- C72.993 H91.992 N4 Pd2 -","- C291.972 H367.968 N16 Pd8 -","4","1","","Dai, Wei; Chalkley, Matthew J.; Brudvig, Gary W.; Hazari, Nilay; Melvin, Patrick R.; Pokhrel, Ravi; Takase, Michael K.","Synthesis and Properties of NHC-Supported Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","18","5114","","10.1021/om400687m","","","1.54187","CuKα","","0.0525","0.0474","","","0.1257","0.1314","","","","","","1.071","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081403","10.6789","0.0002","14.1144","0.0003","14.2052","0.001","106.71","0.007","103.424","0.007","105.598","0.007","1860.7","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H116 N4 O4 Pd2 -","- C84 H116 N4 O4 Pd2 -","- C84 H116 N4 O4 Pd2 -","1","0.5","","Dai, Wei; Chalkley, Matthew J.; Brudvig, Gary W.; Hazari, Nilay; Melvin, Patrick R.; Pokhrel, Ravi; Takase, Michael K.","Synthesis and Properties of NHC-Supported Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","18","5114","","10.1021/om400687m","","","1.54187","CuKα","","0.0677","0.0611","","","0.1587","0.1657","","","","","","1.123","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081404","12.2057","0.0003","15.0286","0.0004","19.8101","0.0014","70.805","0.005","88.84","0.006","66.416","0.005","3119.1","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C71 H90 N4 Pd2 -","- C71 H90 N4 Pd2 -","- C142 H180 N8 Pd4 -","2","1","","Dai, Wei; Chalkley, Matthew J.; Brudvig, Gary W.; Hazari, Nilay; Melvin, Patrick R.; Pokhrel, Ravi; Takase, Michael K.","Synthesis and Properties of NHC-Supported Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","18","5114","","10.1021/om400687m","","","0.71075","MoKα","","0.038","0.0309","","","0.0662","0.069","","","","","","1.07","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081405","13.0237","0.0003","14.3884","0.0003","21.078","0.0015","90","","98.096","0.007","90","","3910.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H110 N4 Pd2 -","- C93 H110 N4 Pd2 -","- C186 H220 N8 Pd4 -","2","0.5","","Dai, Wei; Chalkley, Matthew J.; Brudvig, Gary W.; Hazari, Nilay; Melvin, Patrick R.; Pokhrel, Ravi; Takase, Michael K.","Synthesis and Properties of NHC-Supported Palladium(I) Dimers with Bridging Allyl, Cyclopentadienyl, and Indenyl Ligands","Organometallics","2013","32","18","5114","","10.1021/om400687m","","","0.71075","MoKα","","0.0489","0.0353","","","0.0669","0.0712","","","","","","1.058","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081406","9.601","0.0004","10.213","0.0005","19.8279","0.001","99.091","0.006","103.205","0.004","95.145","0.005","1852.98","0.16","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 N2 S Sn -","- C18 H24 N2 S Sn -","- C72 H96 N8 S4 Sn4 -","4","2","","Wagner, Michael; Dietz, Christina; Bouška, Marek; Dostál, Libor; Padĕlková, Zdeňka; Jambor, Roman; Jurkschat, Klaus","Reactivity of Organotin(I) Dimers RSnSnR (R = 2,6-(Me2NCH2)2C6H3, 4-t-Bu-2,6-{P(O)(O-i-Pr)2}2C6H2) with Diaryl Dichalcogenides, ArEEAr (E = S, Se, Te; Ar = Ph, 2-C5H4N): Control of Secondary Sn···Sn Interactions by Intramolecular Coordination and Identity of the Aryl Chalcogenate","Organometallics","2013","32","17","4973","","10.1021/om400694z","","","0.71073","MoKα","","0.0458","0.0304","","","0.056","0.0619","","","","","","1.101","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081407","9.254","0.0004","12.657","0.0007","16.1811","0.0013","90","","95.651","0.006","90","","1886","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N2 Se Sn -","- C18 H24 N2 Se Sn -","- C72 H96 N8 Se4 Sn4 -","4","1","","Wagner, Michael; Dietz, Christina; Bouška, Marek; Dostál, Libor; Padĕlková, Zdeňka; Jambor, Roman; Jurkschat, Klaus","Reactivity of Organotin(I) Dimers RSnSnR (R = 2,6-(Me2NCH2)2C6H3, 4-t-Bu-2,6-{P(O)(O-i-Pr)2}2C6H2) with Diaryl Dichalcogenides, ArEEAr (E = S, Se, Te; Ar = Ph, 2-C5H4N): Control of Secondary Sn···Sn Interactions by Intramolecular Coordination and Identity of the Aryl Chalcogenate","Organometallics","2013","32","17","4973","","10.1021/om400694z","","","0.71073","MoKα","","0.0421","0.03","","","0.062","0.0677","","","","","","1.124","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081408","9.924","0.0007","10.634","0.0013","28.755","0.003","99.536","0.008","98.171","0.006","97.784","0.008","2922.7","0.5","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 N2 S3 Sn -","- C30 H34 N2 S3 Sn -","- C120 H136 N8 S12 Sn4 -","4","2","","Wagner, Michael; Dietz, Christina; Bouška, Marek; Dostál, Libor; Padĕlková, Zdeňka; Jambor, Roman; Jurkschat, Klaus","Reactivity of Organotin(I) Dimers RSnSnR (R = 2,6-(Me2NCH2)2C6H3, 4-t-Bu-2,6-{P(O)(O-i-Pr)2}2C6H2) with Diaryl Dichalcogenides, ArEEAr (E = S, Se, Te; Ar = Ph, 2-C5H4N): Control of Secondary Sn···Sn Interactions by Intramolecular Coordination and Identity of the Aryl Chalcogenate","Organometallics","2013","32","17","4973","","10.1021/om400694z","","","0.71073","MoKα","","0.076","0.049","","","0.0801","0.089","","","","","","1.113","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081409","12.0217","0.0005","12.3852","0.0005","13.9837","0.0005","86.287","0.003","65.992","0.004","62.447","0.004","1666.52","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","{[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyl} tin(II)selenophenolate","","- C28 H44 O6 P2 Se Sn -","- C28 H44 O6 P2 Se Sn -","- C56 H88 O12 P4 Se2 Sn2 -","2","1","","Wagner, Michael; Dietz, Christina; Bouška, Marek; Dostál, Libor; Padĕlková, Zdeňka; Jambor, Roman; Jurkschat, Klaus","Reactivity of Organotin(I) Dimers RSnSnR (R = 2,6-(Me2NCH2)2C6H3, 4-t-Bu-2,6-{P(O)(O-i-Pr)2}2C6H2) with Diaryl Dichalcogenides, ArEEAr (E = S, Se, Te; Ar = Ph, 2-C5H4N): Control of Secondary Sn···Sn Interactions by Intramolecular Coordination and Identity of the Aryl Chalcogenate","Organometallics","2013","32","17","4973","","10.1021/om400694z","","","0.71073","MoKα","","0.0323","0.0224","","","0.0454","0.0464","","","","","","0.886","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081410","21.2072","0.0008","12.3652","0.0004","27.3099","0.0012","90","","107.564","0.004","90","","6827.6","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","{[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyl} tin(II)tellurophenolate","","- C28 H43 O6 P2 Sn Te -","- C28 H43 O6 P2 Sn Te -","- C224 H344 O48 P16 Sn8 Te8 -","8","1","","Wagner, Michael; Dietz, Christina; Bouška, Marek; Dostál, Libor; Padĕlková, Zdeňka; Jambor, Roman; Jurkschat, Klaus","Reactivity of Organotin(I) Dimers RSnSnR (R = 2,6-(Me2NCH2)2C6H3, 4-t-Bu-2,6-{P(O)(O-i-Pr)2}2C6H2) with Diaryl Dichalcogenides, ArEEAr (E = S, Se, Te; Ar = Ph, 2-C5H4N): Control of Secondary Sn···Sn Interactions by Intramolecular Coordination and Identity of the Aryl Chalcogenate","Organometallics","2013","32","17","4973","","10.1021/om400694z","","","0.71073","MoKα","","0.041","0.0267","","","0.0619","0.0641","","","","","","0.827","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081411","13.2167","0.0005","14.1055","0.0004","21.2322","0.0007","90","","103.937","0.003","90","","3841.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","{[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyl} tin(II)pyridine-2-thiolate","","- C34 H51 N O6 P2 S Sn -","- C34 H51 N O6 P2 S Sn -","- C136 H204 N4 O24 P8 S4 Sn4 -","4","1","","Wagner, Michael; Dietz, Christina; Bouška, Marek; Dostál, Libor; Padĕlková, Zdeňka; Jambor, Roman; Jurkschat, Klaus","Reactivity of Organotin(I) Dimers RSnSnR (R = 2,6-(Me2NCH2)2C6H3, 4-t-Bu-2,6-{P(O)(O-i-Pr)2}2C6H2) with Diaryl Dichalcogenides, ArEEAr (E = S, Se, Te; Ar = Ph, 2-C5H4N): Control of Secondary Sn···Sn Interactions by Intramolecular Coordination and Identity of the Aryl Chalcogenate","Organometallics","2013","32","17","4973","","10.1021/om400694z","","","0.71073","MoKα","","0.0471","0.0302","","","0.0638","0.0659","","","","","","0.897","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081412","10.8311","0.0005","17.7548","0.0007","18.5429","0.0007","90","","90","","90","","3565.9","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","{[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyl} tin(IV)dichloroselenophenolate","","- C28 H44 Cl2 O6 P2 Se Sn -","- C28 H44 Cl2 O6 P2 Se Sn -","- C112 H176 Cl8 O24 P8 Se4 Sn4 -","4","1","","Wagner, Michael; Dietz, Christina; Bouška, Marek; Dostál, Libor; Padĕlková, Zdeňka; Jambor, Roman; Jurkschat, Klaus","Reactivity of Organotin(I) Dimers RSnSnR (R = 2,6-(Me2NCH2)2C6H3, 4-t-Bu-2,6-{P(O)(O-i-Pr)2}2C6H2) with Diaryl Dichalcogenides, ArEEAr (E = S, Se, Te; Ar = Ph, 2-C5H4N): Control of Secondary Sn···Sn Interactions by Intramolecular Coordination and Identity of the Aryl Chalcogenate","Organometallics","2013","32","17","4973","","10.1021/om400694z","","","0.71073","MoKα","","0.0458","0.0308","","","0.0586","0.0601","","","","","","0.879","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081413","17.0979","0.001","11.334","0.0007","19.9926","0.0013","90","","113.008","0.007","90","","3566.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[1(P),3(Sn)-Sn(S-Py)2-OP(O)(O-i-Pr)-6-t-Bu-4-P(O)(Oi-Pr)2]C6H2","","- C32 H46 N2 O6 P2 S2 Sn -","- C32 H46 N2 O6 P2 S2 Sn -","- C128 H184 N8 O24 P8 S8 Sn4 -","4","1","","Wagner, Michael; Dietz, Christina; Bouška, Marek; Dostál, Libor; Padĕlková, Zdeňka; Jambor, Roman; Jurkschat, Klaus","Reactivity of Organotin(I) Dimers RSnSnR (R = 2,6-(Me2NCH2)2C6H3, 4-t-Bu-2,6-{P(O)(O-i-Pr)2}2C6H2) with Diaryl Dichalcogenides, ArEEAr (E = S, Se, Te; Ar = Ph, 2-C5H4N): Control of Secondary Sn···Sn Interactions by Intramolecular Coordination and Identity of the Aryl Chalcogenate","Organometallics","2013","32","17","4973","","10.1021/om400694z","","","0.71073","MoKα","","0.0558","0.031","","","0.0575","0.0597","","","","","","0.807","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081414","19.1787","0.0008","11.7916","0.0005","19.33","0.0008","90","","118.417","0.002","90","","3844.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Cl2 N2 O3 Ru -","- C42 H50 Cl2 N2 O3 Ru -","- C168 H200 Cl8 N8 O12 Ru4 -","4","1","","Endo, Koji; Herbert, Myles B.; Grubbs, Robert H.","Investigations into Ruthenium Metathesis Catalysts with Six-Membered Chelating NHC Ligands: Relationship between Catalyst Structure and Stereoselectivity","Organometallics","2013","32","18","5128","","10.1021/om4006966","","","0.71073","MoKα","","0.0457","0.0295","","","0.0517","0.0524","","","","","","2.059","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4081415","11.0615","0.0008","11.8882","0.0009","18.9127","0.0016","102.089","0.005","91.146","0.005","113.667","0.005","2212.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H54 Cl2 N2 O3 Ru -","- C52 H54 Cl2 N2 O3 Ru -","- C104 H108 Cl4 N4 O6 Ru2 -","2","1","","Endo, Koji; Herbert, Myles B.; Grubbs, Robert H.","Investigations into Ruthenium Metathesis Catalysts with Six-Membered Chelating NHC Ligands: Relationship between Catalyst Structure and Stereoselectivity","Organometallics","2013","32","18","5128","","10.1021/om4006966","","","0.71073","MoKα","","0.0791","0.0423","","","0.0542","0.0579","","","","","","1.024","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081416","15.1984","0.0005","16.2646","0.0006","14.5013","0.0005","90","","99.578","0.002","90","","3534.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 Cl4 N2 O Ru -","- C35 H46 Cl4 N2 O Ru -","- C140 H184 Cl16 N8 O4 Ru4 -","4","1","","Endo, Koji; Herbert, Myles B.; Grubbs, Robert H.","Investigations into Ruthenium Metathesis Catalysts with Six-Membered Chelating NHC Ligands: Relationship between Catalyst Structure and Stereoselectivity","Organometallics","2013","32","18","5128","","10.1021/om4006966","","","0.71073","MoKα","","0.0396","0.0298","","","0.0471","0.048","","","","","","1.929","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081417","36.1581","0.0016","9.0333","0.0004","23.5476","0.001","90","","90.159","0.002","90","","7691.3","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H57 N2 O3.5 Ru -","- C41 H57 N2 O3.5 Ru -","- C328 H456 N16 O28 Ru8 -","8","1","","Endo, Koji; Herbert, Myles B.; Grubbs, Robert H.","Investigations into Ruthenium Metathesis Catalysts with Six-Membered Chelating NHC Ligands: Relationship between Catalyst Structure and Stereoselectivity","Organometallics","2013","32","18","5128","","10.1021/om4006966","","","0.71073","MoKα","","0.0639","0.0378","","","0.0496","0.0515","","","","","","1.301","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4081418","11.2785","0.0005","11.6123","0.0005","20.1532","0.0011","96.245","0.003","96.109","0.003","110.015","0.002","2436","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H57 Cl5 N2 O3 Ru -","- C53 H57 Cl5 N2 O3 Ru -","- C106 H114 Cl10 N4 O6 Ru2 -","2","1","","Endo, Koji; Herbert, Myles B.; Grubbs, Robert H.","Investigations into Ruthenium Metathesis Catalysts with Six-Membered Chelating NHC Ligands: Relationship between Catalyst Structure and Stereoselectivity","Organometallics","2013","32","18","5128","","10.1021/om4006966","","","0.71073","MoKα","","0.056","0.038","","","0.066","0.067","","","","","","1.937","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081419","12.69","0.001","16.024","0.001","17.34","0.001","69.701","0.001","88.746","0.001","75.607","0.001","3195.2","0.4","150","0.1","150","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C54 H47 F12 Ir N8 O12 Pt2 S4 Se2 -","- C54 H47 F12 Ir N8 O12 Pt2 S4 Se2 -","- C108 H94 F24 Ir2 N16 O24 Pt4 S8 Se4 -","2","1","","Moussa, Jamal; Wong, Keith Man-Chung; Le Goff, Xavier F.; Rager, Marie Noelle; Chan, Carmen Ka-Man; Yam, Vivian Wing-Wah; Amouri, Hani","Dinuclear Platinum(II) Terpyridyl Complexes with apara-Diselenobenzoquinone Organometallic Linker: Synthesis, Structures, and Room-Temperature Phosphorescence","Organometallics","2013","32","17","4985","","10.1021/om400700t","","","0.71069","MoKα","","0.0961","0.0511","","","0.1025","0.1177","","","","","","0.959","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081420","10.8","0.001","13.508","0.001","23.108","0.001","98.688","0.001","101.7","0.001","108.493","0.001","3045.3","0.4","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C50 H47 F24 Ir N8 P4 Pt2 Se2 -","- C48 H44 F24 Ir N7 P4 Pt2 Se2 -","- C96 H88 F48 Ir2 N14 P8 Pt4 Se4 -","2","1","","Moussa, Jamal; Wong, Keith Man-Chung; Le Goff, Xavier F.; Rager, Marie Noelle; Chan, Carmen Ka-Man; Yam, Vivian Wing-Wah; Amouri, Hani","Dinuclear Platinum(II) Terpyridyl Complexes with apara-Diselenobenzoquinone Organometallic Linker: Synthesis, Structures, and Room-Temperature Phosphorescence","Organometallics","2013","32","17","4985","","10.1021/om400700t","","","0.71069","MoKα","","0.0697","0.0427","","","0.095","0.1005","","","","","","0.934","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081421","10.8899","0.0016","20.677","0.003","14.218","0.002","90","","99.47","0.002","90","","3157.8","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 Au F5 N2 -","- C33 H36 Au F5 N2 -","- C132 H144 Au4 F20 N8 -","4","0.5","","Ghidiu, Michael J.; Pistner, Allen J.; Yap, Glenn P. A.; Lutterman, Daniel A.; Rosenthal, Joel","Thermal versus Photochemical Reductive Elimination of Aryl Chlorides from NHC‒Gold Complexes","Organometallics","2013","32","18","5026","","10.1021/om400701f","","","0.71073","MoKα","","0.0378","0.0307","","","0.0569","0.0596","","","","","","1.03","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081422","31.02","0.02","15.281","0.01","16.849","0.011","90","","91.92","0.013","90","","7982","9","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H36 Au Cl2 F5 N2 -","- C33 H36 Au Cl2 F5 N2 -","- C264 H288 Au8 Cl16 F40 N16 -","8","1","","Ghidiu, Michael J.; Pistner, Allen J.; Yap, Glenn P. A.; Lutterman, Daniel A.; Rosenthal, Joel","Thermal versus Photochemical Reductive Elimination of Aryl Chlorides from NHC‒Gold Complexes","Organometallics","2013","32","18","5026","","10.1021/om400701f","","","0.71073","MoKα","","0.1034","0.056","","","0.1308","0.1565","","","","","","1.053","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081423","11.2669","0.0002","12.4336","0.0002","13.9921","0.0002","90","","97.921","0.001","90","","1941.43","0.05","100","","100","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C47 H34 Br2 Cl2 N2 Ni -","- C47 H34 Br2 Cl2 N2 Ni -","- C94 H68 Br4 Cl4 N4 Ni2 -","2","0.5","","Zhang, Danfeng; Nadres, Enrico T.; Brookhart, Maurice; Daugulis, Olafs","Synthesis of Highly Branched Polyethylene Using “Sandwich” (8-p-Tolyl naphthyl α-diimine)nickel(II) Catalysts","Organometallics","2013","32","18","5136","","10.1021/om400704h","","","1.54178","CuKα","","0.0506","0.0419","","","0.0914","0.0951","","","","","","1.084","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081424","14.2201","0.0011","16.421","0.0014","24.266","0.002","96.258","0.002","94.506","0.002","110.146","0.003","5246.9","0.8","173","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H58.5 Ag15 F33 N4 O30.25 S10 -","- C56 H58.5 Ag15 F33 N4 O30.25 S10 -","- C112 H117 Ag30 F66 N8 O60.5 S20 -","2","1","","Wen, Li-Li; Wang, Han; Wan, Chong-Qing; Mak, Thomas C. W.","Silver‒Organic Frameworks Containing Ethynediide or Ethynide with Ancillary Oligo-α-sulfanylpyrazinyl and Dimethylsulfoxide Ligands","Organometallics","2013","32","18","5144","","10.1021/om400706d","","","0.71073","MoKα","","0.0604","0.0496","","","0.1245","0.1273","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081425","14.0905","0.0012","16.1932","0.0013","24.018","0.002","96.232","0.002","94.909","0.003","110.381","0.002","5061.8","0.7","173","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H57.5 Ag15 F33 N5 O30.2 S10 -","- C55 H57.5 Ag15 F33 N5 O30.25 S10 -","- C110 H115 Ag30 F66 N10 O60.5 S20 -","2","1","","Wen, Li-Li; Wang, Han; Wan, Chong-Qing; Mak, Thomas C. W.","Silver‒Organic Frameworks Containing Ethynediide or Ethynide with Ancillary Oligo-α-sulfanylpyrazinyl and Dimethylsulfoxide Ligands","Organometallics","2013","32","18","5144","","10.1021/om400706d","","","0.71073","MoKα","","0.0457","0.039","","","0.1008","0.1026","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081426","14.0522","0.0009","14.5705","0.001","16.0003","0.0011","75.111","0.001","76.735","0.001","88.791","0.001","3079.1","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 Ag7 F15 N6 O14 S5 -","- C40 H46 Ag7 F15 N6 O14 S5 -","- C80 H92 Ag14 F30 N12 O28 S10 -","2","1","","Wen, Li-Li; Wang, Han; Wan, Chong-Qing; Mak, Thomas C. W.","Silver‒Organic Frameworks Containing Ethynediide or Ethynide with Ancillary Oligo-α-sulfanylpyrazinyl and Dimethylsulfoxide Ligands","Organometallics","2013","32","18","5144","","10.1021/om400706d","","","0.71073","MoKα","","0.0684","0.0635","","","0.1704","0.1747","","","","","","1.047","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081427","12.7457","0.0012","16.6712","0.0017","27.97","0.003","90","","95.52","0.002","90","","5915.7","1","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C212 H172 Ag24 F24 N24 O28 S18 -","- C212 H172 Ag24 F24 N24 O28 S18 -","- C212 H172 Ag24 F24 N24 O28 S18 -","1","0.25","","Wen, Li-Li; Wang, Han; Wan, Chong-Qing; Mak, Thomas C. W.","Silver‒Organic Frameworks Containing Ethynediide or Ethynide with Ancillary Oligo-α-sulfanylpyrazinyl and Dimethylsulfoxide Ligands","Organometallics","2013","32","18","5144","","10.1021/om400706d","","","0.71073","MoKα","","0.0645","0.056","","","0.1484","0.1555","","","","","","1.038","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081428","12.6136","0.0015","15.7657","0.0019","15.9415","0.0019","110.662","0.002","91.021","0.002","103.973","0.002","2859.9","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H30 Ag6 Cl4 F6 N6 O6 S3 -","- C50 H30 Ag6 Cl4 F6 N6 O6 S3 -","- C100 H60 Ag12 Cl8 F12 N12 O12 S6 -","2","1","","Wen, Li-Li; Wang, Han; Wan, Chong-Qing; Mak, Thomas C. W.","Silver‒Organic Frameworks Containing Ethynediide or Ethynide with Ancillary Oligo-α-sulfanylpyrazinyl and Dimethylsulfoxide Ligands","Organometallics","2013","32","18","5144","","10.1021/om400706d","","","0.71073","MoKα","","0.0811","0.0733","","","0.2078","0.2175","","","","","","1.064","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081429","11.4524","0.00007","14.56303","0.00008","7.24125","0.00004","90","","104.109","0.0006","90","","1171.28","0.012","110","1","110","1","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C16 H37 Cl4 N Ni P2 -","- C16 H37 Cl4 N Ni P2 -","- C32 H74 Cl8 N2 Ni2 P4 -","2","0.5","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","0.7107","MoKα","","0.0148","0.0147","","","0.0367","0.0367","","","","","","1.059","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081430","14.166","0.006","15.512","0.006","9.989","0.004","90","","90","","90","","2195","1.5","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H39 Cl2 N Ni P2 -","- C17 H39 Cl2 N Ni P2 -","- C68 H156 Cl8 N4 Ni4 P8 -","4","0.5","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","0.71073","MoKα","","0.0317","0.0266","","","0.0685","0.073","","","","","","1.1","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081431","11.03","0.005","15.352","0.009","14.824","0.008","90","","107.38","0.014","90","","2396","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H37 Cl2 N Ni P2 S -","- C19 H37 Cl2 N Ni P2 S -","- C76 H148 Cl8 N4 Ni4 P8 S4 -","4","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","0.71073","MoKα","","0.0614","0.041","","","0.0921","0.102","","","","","","1.026","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081432","9.7071","0.0006","14.5014","0.0008","14.8907","0.0011","90","","90.076","0.005","90","","2096.1","0.2","115","1","115","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H41 N Ni P2 -","- C17 H41 N Ni P2 -","- C68 H164 N4 Ni4 P8 -","4","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","1.5418","CuKα","","0.0619","0.054","","","0.132","0.1384","","","","","","1.027","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081433","8.1001","0.0003","14.4306","0.0004","21.9136","0.0008","89.652","0.003","82.032","0.003","85.869","0.003","2530.13","0.15","115","1","115","1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H45 N Ni P2 -","- C23 H45 N Ni P2 -","- C92 H180 N4 Ni4 P8 -","4","2","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","0.7107","MoKα","","0.0656","0.0404","","","0.1006","0.1099","","","","","","1.008","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081434","11.09533","0.00009","15.85188","0.00018","16.66637","0.00018","70.6889","0.001","87.1736","0.0008","88.1818","0.0008","2762.65","0.05","110","1","110","1","","","","","","","","7","P -1","-P 1","2","","","","- C21 H50 Cl N Ni P2 Si -","- C21 H50 Cl N Ni P2 Si -","- C84 H200 Cl4 N4 Ni4 P8 Si4 -","4","2","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","0.7107","MoKα","","0.0441","0.04","","","0.0735","0.0745","","","","","","1.282","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081435","10.1007","0.0004","14.768","0.0005","20.7811","0.0006","90","","90","","90","","3099.86","0.18","115","1","115","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H53 N Ni P2 -","- C31 H53 N Ni P2 -","- C124 H212 N4 Ni4 P8 -","4","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","1.5418","CuKα","","0.0305","0.025","","","0.0553","0.0588","","","","","","1.025","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081436","12.9568","0.0003","12.8435","0.0002","34.2531","0.0008","90","","91.681","0.002","90","","5697.6","0.2","110","1","110","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H58 B F24 N Ni O P2 -","- C52 H58 B F24 N Ni O P2 -","- C208 H232 B4 F96 N4 Ni4 O4 P8 -","4","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","1.5418","CuKα","","0.0931","0.0643","","","0.1279","0.1418","","","","","","1.047","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081437","12.7961","0.0003","14.0864","0.0003","18.5902","0.0005","76.759","0.002","70.954","0.002","87.373","0.002","3081.73","0.14","110","1","110","1","","","","","","","","7","P -1","-P 1","2","","","","- C58 H66 B F24 N Ni P2 -","- C58 H66 B F24 N Ni P2 -","- C116 H132 B2 F48 N2 Ni2 P4 -","2","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","1.5418","CuKα","","0.0689","0.0598","","","0.1453","0.1518","","","","","","1.031","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081438","36.3153","0.0003","12.57515","0.00007","25.64894","0.00015","90","","102.718","0.0006","90","","11425.8","0.13","115","2","115","2","","","","","","","","7","I 2/c 1 1","-I 2yc","15","","","","- C53 H58 B F24 N Ni P2 -","- C53 H58 B F24 N Ni P2 -","- C424 H464 B8 F192 N8 Ni8 P16 -","8","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","1.5418","CuKα","","0.0604","0.0587","","","0.143","0.1442","","","","","","1.046","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081439","11.252","0.005","21.255","0.01","16.225","0.007","90","","98.722","0.01","90","","3836","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H63 N Ni P2 -","- C40 H63 N Ni P2 -","- C160 H252 N4 Ni4 P8 -","4","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","0.71073","MoKα","","0.0777","0.0449","","","0.0956","0.1093","","","","","","1.019","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081440","9.68141","0.00006","14.47778","0.00009","14.90719","0.00009","90","","90.4571","0.0005","90","","2089.4","0.02","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H39 N Ni P2 -","- C17 H39 N Ni P2 -","- C68 H156 N4 Ni4 P8 -","4","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","0.7107","MoKα","","0.0343","0.031","","","0.0625","0.0635","","","","","","1.204","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081441","7.62335","0.00017","16.8","0.0003","18.4072","0.0004","90","","99.531","0.002","90","","2324.91","0.08","110","1","110","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H41 N Ni O P2 -","- C21 H41 N Ni O P2 -","- C84 H164 N4 Ni4 O4 P8 -","4","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","1.5418","CuKα","","0.0894","0.0635","","","0.1559","0.171","","","","","","1.065","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081442","18.5126","0.0002","17.52419","0.00019","20.2002","0.0002","90","","90","","90","","6553.31","0.12","110","1","110","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28.77 H52.43 N Ni O1.94 P2 S -","- C28.768 H52.42 N Ni O1.942 P2 S -","- C230.144 H419.36 N8 Ni8 O15.536 P16 S8 -","8","1","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","1.5418","CuKα","","0.0704","0.0648","","","0.1487","0.1521","","","","","","1.106","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081443","23.389","0.0005","15.3868","0.0003","18.045","0.0004","90","","93.661","0.001","90","","6480.8","0.2","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Ir O12 P Ru3 -","- C24 H28 Ir O12 P Ru3 -","- C192 H224 Ir8 O96 P8 Ru24 -","8","2","","Adams, Richard D.; Zhang, Qiang","Structures and Bonding of η2-Bridging CO Ligands and Their Influence on the Structures and Rearrangements of Higher Nuclearity Metal Carbonyl Cluster Complexes","Organometallics","2013","32","18","5171","","10.1021/om400722z","","","0.71073","MoKα","","0.0528","0.034","","","0.0622","0.0693","","","","","","1.034","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081444","8.7946","0.0002","11.6347","0.0003","14.5421","0.0004","88.916","0.001","87.306","0.001","69.431","0.001","1391.58","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 Ir O9 P Ru2 -","- C21 H28 Ir O9 P Ru2 -","- C42 H56 Ir2 O18 P2 Ru4 -","2","1","","Adams, Richard D.; Zhang, Qiang","Structures and Bonding of η2-Bridging CO Ligands and Their Influence on the Structures and Rearrangements of Higher Nuclearity Metal Carbonyl Cluster Complexes","Organometallics","2013","32","18","5171","","10.1021/om400722z","","","0.71073","MoKα","","0.0196","0.0176","","","0.0416","0.0426","","","","","","1.026","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081445","10.9111","0.001","14.2152","0.0013","16.7887","0.0016","67.474","0.002","72.862","0.002","73.707","0.002","2256.7","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H55 Ir O11 P2 Ru3 -","- C35 H55 Ir O11 P2 Ru3 -","- C70 H110 Ir2 O22 P4 Ru6 -","2","1","","Adams, Richard D.; Zhang, Qiang","Structures and Bonding of η2-Bridging CO Ligands and Their Influence on the Structures and Rearrangements of Higher Nuclearity Metal Carbonyl Cluster Complexes","Organometallics","2013","32","18","5171","","10.1021/om400722z","","","0.71073","MoKα","","0.0614","0.0531","","","0.1528","0.1609","","","","","","1.072","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081446","9.024","0.0003","19.1783","0.0006","27.1206","0.0008","90","","94.873","0.001","90","","4676.7","0.3","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H55 Ir O13 P2 Ru4 -","- C37 H55 Ir O13 P2 Ru4 -","- C148 H220 Ir4 O52 P8 Ru16 -","4","1","","Adams, Richard D.; Zhang, Qiang","Structures and Bonding of η2-Bridging CO Ligands and Their Influence on the Structures and Rearrangements of Higher Nuclearity Metal Carbonyl Cluster Complexes","Organometallics","2013","32","18","5171","","10.1021/om400722z","","","0.71073","MoKα","","0.036","0.0282","","","0.0612","0.0651","","","","","","1.041","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081447","9.216","0.0005","13.678","0.0007","15.3477","0.0008","71.504","0.001","85.536","0.001","76.886","0.001","1786.86","0.16","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Ir O15 P Ru4 -","- C27 H28 Ir O15 P Ru4 -","- C54 H56 Ir2 O30 P2 Ru8 -","2","1","","Adams, Richard D.; Zhang, Qiang","Structures and Bonding of η2-Bridging CO Ligands and Their Influence on the Structures and Rearrangements of Higher Nuclearity Metal Carbonyl Cluster Complexes","Organometallics","2013","32","18","5171","","10.1021/om400722z","","","0.71073","MoKα","","0.0406","0.0334","","","0.0735","0.0771","","","","","","1.064","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081448","13.612","0.002","17.153","0.003","22.77","0.004","90","","90","","90","","5316.5","1.5","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C56 H44 O4 P4 Pt4 -","- C56 H44 O4 P4 Pt4 -","- C224 H176 O16 P16 Pt16 -","4","0.5","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Tetrahedral [HnPt4(CO)4(P∧P)2]n+(n= 1, 2; P∧P = CH2═C(PPh2)2) Cationic Mono- and Dihydrido Carbonyl Clusters Obtained by Protonation of the Neutral Pt4(CO)4(P∧P)2","Organometallics","2013","32","18","5180","","10.1021/om400723w","","","0.71073","MoKα","","0.0885","0.0535","","","0.1206","0.1355","","","","","","1.053","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081449","10.924","0.002","16.397","0.003","20.472","0.004","112.12","0.002","93.248","0.002","101.451","0.002","3294.4","1.1","292","2","292","2","","","","","","","","8","P -1","-P 1","2","","","","- C57.47 H47.93 B Cl2.93 F4 O4 P4 Pt4 -","- C57.465 H47.93 B Cl2.93 F4 O4 P4 Pt4 -","- C114.93 H95.86 B2 Cl5.86 F8 O8 P8 Pt8 -","2","1","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Tetrahedral [HnPt4(CO)4(P∧P)2]n+(n= 1, 2; P∧P = CH2═C(PPh2)2) Cationic Mono- and Dihydrido Carbonyl Clusters Obtained by Protonation of the Neutral Pt4(CO)4(P∧P)2","Organometallics","2013","32","18","5180","","10.1021/om400723w","","","0.71073","MoKα","","0.0667","0.0443","","","0.1194","0.1311","","","","","","1.041","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081450","12.777","0.002","16.5091","0.0012","16.7391","0.0012","119.076","0.001","105.825","0.001","95.561","0.001","2856.3","0.5","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H45 B2 F7 O4 P4 Pt4 -","- C56 H45 B2 F7 O4 P4 Pt4 -","- C112 H90 B4 F14 O8 P8 Pt8 -","2","1","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Tetrahedral [HnPt4(CO)4(P∧P)2]n+(n= 1, 2; P∧P = CH2═C(PPh2)2) Cationic Mono- and Dihydrido Carbonyl Clusters Obtained by Protonation of the Neutral Pt4(CO)4(P∧P)2","Organometallics","2013","32","18","5180","","10.1021/om400723w","","","0.71073","MoKα","","0.0974","0.0438","","","0.0635","0.0766","","","","","","0.959","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081451","10.1181","0.0017","11.641","0.002","27.35","0.005","78.442","0.002","79.504","0.002","89.958","0.002","3101.1","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H48 B4 F16 O4 P4 Pt4 -","- C56 H48 B4 F16 O4 P4 Pt4 -","- C112 H96 B8 F32 O8 P8 Pt8 -","2","1","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Tetrahedral [HnPt4(CO)4(P∧P)2]n+(n= 1, 2; P∧P = CH2═C(PPh2)2) Cationic Mono- and Dihydrido Carbonyl Clusters Obtained by Protonation of the Neutral Pt4(CO)4(P∧P)2","Organometallics","2013","32","18","5180","","10.1021/om400723w","","","0.71073","MoKα","","0.12","0.0576","","","0.1216","0.1475","","","","","","0.962","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081452","52.082","0.003","12.8563","0.0008","21.3839","0.0014","90","","91.339","0.001","90","","14314.4","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H66 O6 P6 Pt6 -","- C81 H66 O6 P6 Pt6 -","- C648 H528 O48 P48 Pt48 -","8","1","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Tetrahedral [HnPt4(CO)4(P∧P)2]n+(n= 1, 2; P∧P = CH2═C(PPh2)2) Cationic Mono- and Dihydrido Carbonyl Clusters Obtained by Protonation of the Neutral Pt4(CO)4(P∧P)2","Organometallics","2013","32","18","5180","","10.1021/om400723w","","","0.71073","MoKα","","0.0696","0.0438","","","0.0993","0.1123","","","","","","1.068","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081453","11.1968","0.0018","12.622","0.002","19.013","0.003","87.05","0.002","82.843","0.002","65.335","0.002","2422.8","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H48 P4 Pt -","- C60 H48 P4 Pt -","- C120 H96 P8 Pt2 -","2","1","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Tetrahedral [HnPt4(CO)4(P∧P)2]n+(n= 1, 2; P∧P = CH2═C(PPh2)2) Cationic Mono- and Dihydrido Carbonyl Clusters Obtained by Protonation of the Neutral Pt4(CO)4(P∧P)2","Organometallics","2013","32","18","5180","","10.1021/om400723w","","","0.71073","MoKα","","0.0196","0.0183","","","0.0457","0.0463","","","","","","1.041","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081454","17.102","0.007","17.132","0.007","18.094","0.012","110.466","0.008","112.289","0.007","97.834","0.006","4369","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H60 O20 P4 Pt10 -","- C84 H60 O20 P4 Pt10 -","- C168 H120 O40 P8 Pt20 -","2","1","","Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Tetrahedral [HnPt4(CO)4(P∧P)2]n+(n= 1, 2; P∧P = CH2═C(PPh2)2) Cationic Mono- and Dihydrido Carbonyl Clusters Obtained by Protonation of the Neutral Pt4(CO)4(P∧P)2","Organometallics","2013","32","18","5180","","10.1021/om400723w","","","0.71073","MoKα","","0.1254","0.072","","","0.1829","0.236","","","","","","0.981","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081455","12.3358","0.0002","18.0138","0.0003","17.8481","0.0003","90","","97.997","0.001","90","","3927.54","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Zn(mes)2(IPr)","","- C45 H58 N2 Zn -","- C45 H58 N2 Zn -","- C180 H232 N8 Zn4 -","4","1","","Waters, Jordan B.; Turbervill, Robert S. P.; Goicoechea, Jose M.","Group 12 Metal Complexes of N-Heterocyclic Ditopic Carbanionic Carbenes","Organometallics","2013","32","18","5190","","10.1021/om400728u","","","0.71073","MoKα","","0.0875","0.0488","","","0.1208","0.1364","","","","","","1.02","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081456","12.727","0.0002","14.2701","0.0002","19.9779","0.0003","72.067","0.001","85.878","0.001","75.152","0.001","3336.66","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","K[Zn(mes)(IPr-H)2]*hex*0.5THF","","- C71 H99 K N4 O0.5 Zn -","- C71 H99 K N4 O0.5 Zn -","- C142 H198 K2 N8 O Zn2 -","2","1","","Waters, Jordan B.; Turbervill, Robert S. P.; Goicoechea, Jose M.","Group 12 Metal Complexes of N-Heterocyclic Ditopic Carbanionic Carbenes","Organometallics","2013","32","18","5190","","10.1021/om400728u","","","1.5418","CuKα","","0.0549","0.0506","","","0.1463","0.151","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081457","12.8066","0.0003","14.4351","0.0004","20.0173","0.0004","71.63","0.002","84.419","0.002","74.44","0.002","3382.88","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","K[Cd(mes)(IPr-H)2]*hex*0.5THF","","- C71 H99 Cd K N4 O0.5 -","- C71 H99 Cd K N4 O0.503 -","- C142 H198 Cd2 K2 N8 O1.006 -","2","1","","Waters, Jordan B.; Turbervill, Robert S. P.; Goicoechea, Jose M.","Group 12 Metal Complexes of N-Heterocyclic Ditopic Carbanionic Carbenes","Organometallics","2013","32","18","5190","","10.1021/om400728u","","","1.54178","CuKα","","0.0462","0.0421","","","0.113","0.1174","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081458","16.1359","0.0001","28.5079","0.0001","22.8886","0.0001","90","","95.071","0.001","90","","10487.6","0.09","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[K(2,2,2-crypt)][Hg(IPr-H)3]*THF*0.5hex","","- C106 H156 Hg K N8 O7 -","- C106 H156 Hg K N8 O7 -","- C424 H624 Hg4 K4 N32 O28 -","4","2","","Waters, Jordan B.; Turbervill, Robert S. P.; Goicoechea, Jose M.","Group 12 Metal Complexes of N-Heterocyclic Ditopic Carbanionic Carbenes","Organometallics","2013","32","18","5190","","10.1021/om400728u","","","1.54178","CuKα","","0.0393","0.0383","","","0.1011","0.1021","","","","","","1.08","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081459","10.6034","0.0002","20.3844","0.0004","21.4219","0.0005","70.092","0.002","89.415","0.002","83.896","0.002","4327.16","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","[K(2,2,2-crypt)][Zn(mes)(H3B:IPr-H)2]*THF","","- C85 H130 B2 K N6 O7 Zn -","- C85 H129.988 B2 K N6 O7 Zn -","- C170 H259.976 B4 K2 N12 O14 Zn2 -","2","1","","Waters, Jordan B.; Turbervill, Robert S. P.; Goicoechea, Jose M.","Group 12 Metal Complexes of N-Heterocyclic Ditopic Carbanionic Carbenes","Organometallics","2013","32","18","5190","","10.1021/om400728u","","","1.54178","CuKα","","0.0673","0.0604","","","0.1723","0.1802","","","","","","1.018","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081460","23.0241","0.0015","37.2937","0.0013","11.0391","0.0006","90","","90","","90","","9478.8","0.9","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","","[K(2,2,2-crypt)][Zn(mes)(THF)(Et3Al:IPr-H)2]","","- C93 H147 Al2 K N6 O6 Zn -","- C93 H147 Al2 K N6 O6 Zn -","- C372 H588 Al8 K4 N24 O24 Zn4 -","4","1","","Waters, Jordan B.; Turbervill, Robert S. P.; Goicoechea, Jose M.","Group 12 Metal Complexes of N-Heterocyclic Ditopic Carbanionic Carbenes","Organometallics","2013","32","18","5190","","10.1021/om400728u","","","1.54178","CuKα","","0.0749","0.0594","","","0.1574","0.169","","","","","","1.043","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081461","13.4213","0.0003","14.736","0.0006","19.952","0.0008","73.97","0.003","86.186","0.002","85.193","0.002","3775.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[K(18-crown-6)][Zn(mes)(THF)(O2C:IPr-H)2]","","- C77 H105 K N4 O10 Zn -","- C77 H105 K N4 O10 Zn -","- C154 H210 K2 N8 O20 Zn2 -","2","1","","Waters, Jordan B.; Turbervill, Robert S. P.; Goicoechea, Jose M.","Group 12 Metal Complexes of N-Heterocyclic Ditopic Carbanionic Carbenes","Organometallics","2013","32","18","5190","","10.1021/om400728u","","","1.5418","CuKα","","0.0811","0.0649","","","0.1727","0.1906","","","","","","1.056","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081462","12.2149","0.0006","18.3881","0.0008","18.7489","0.0009","90","","90","","90","","4211.2","0.3","153","","153","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H16 Fe2 O6 S Si -","- C19 H16 Fe2 O6 S Si -","- C152 H128 Fe16 O48 S8 Si8 -","8","1","","Kobayashi, Kyohei; Hirotsu, Masakazu; Kinoshita, Isamu","Skeletal Modification of Benzothiophene Mediated by Iron Carbonyls: Insertion of Terminal Alkynes with Migration of Amino and Alkoxy Groups","Organometallics","2013","32","18","5030","","10.1021/om400734s","","","0.71075","MoKα","","0.0401","0.0353","","","0.0817","0.0849","","","","","","1.072","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081463","9.0218","0.0005","9.5348","0.0006","12.4211","0.0008","81.675","0.005","78.985","0.005","76.034","0.005","1012.31","0.11","133","","133","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 Fe2 O6 S -","- C22 H12 Fe2 O6 S -","- C44 H24 Fe4 O12 S2 -","2","1","","Kobayashi, Kyohei; Hirotsu, Masakazu; Kinoshita, Isamu","Skeletal Modification of Benzothiophene Mediated by Iron Carbonyls: Insertion of Terminal Alkynes with Migration of Amino and Alkoxy Groups","Organometallics","2013","32","18","5030","","10.1021/om400734s","","","0.71075","MoKα","","0.0372","0.0309","","","0.0676","0.0724","","","","","","1.051","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081464","8.5059","0.0003","11.3603","0.0004","20.9599","0.001","90","","93.371","0.002","90","","2021.84","0.14","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Fe2 O6 S -","- C20 H16 Fe2 O6 S -","- C80 H64 Fe8 O24 S4 -","4","1","","Kobayashi, Kyohei; Hirotsu, Masakazu; Kinoshita, Isamu","Skeletal Modification of Benzothiophene Mediated by Iron Carbonyls: Insertion of Terminal Alkynes with Migration of Amino and Alkoxy Groups","Organometallics","2013","32","18","5030","","10.1021/om400734s","","","0.71075","MoKα","","0.036","0.0337","","","0.0766","0.0793","","","","","","1.203","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081465","8.5024","0.001","10.1937","0.0004","12.5899","0.0008","67.181","0.012","71.64","0.012","82.624","0.016","954.55","0.17","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 Fe2 N O5 S -","- C18 H15 Fe2 N O5 S -","- C36 H30 Fe4 N2 O10 S2 -","2","1","","Kobayashi, Kyohei; Hirotsu, Masakazu; Kinoshita, Isamu","Skeletal Modification of Benzothiophene Mediated by Iron Carbonyls: Insertion of Terminal Alkynes with Migration of Amino and Alkoxy Groups","Organometallics","2013","32","18","5030","","10.1021/om400734s","","","0.71075","MoKα","","0.0291","0.0244","","","0.0559","0.0582","","","","","","1.041","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081466","8.584","0.0006","9.5955","0.0004","12.4616","0.0009","68.28","0.007","81.048","0.008","71.876","0.007","905.3","0.11","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Fe2 O7 S -","- C18 H12 Fe2 O7 S -","- C36 H24 Fe4 O14 S2 -","2","1","","Kobayashi, Kyohei; Hirotsu, Masakazu; Kinoshita, Isamu","Skeletal Modification of Benzothiophene Mediated by Iron Carbonyls: Insertion of Terminal Alkynes with Migration of Amino and Alkoxy Groups","Organometallics","2013","32","18","5030","","10.1021/om400734s","","","0.71075","MoKα","","0.0425","0.0347","","","0.0808","0.0855","","","","","","1.061","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081467","8.1802","0.0008","8.8256","0.0011","13.2557","0.0016","102.68","0.003","98.145","0.003","95.024","0.003","917.24","0.18","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Fe2 O7 S -","- C18 H12 Fe2 O7 S -","- C36 H24 Fe4 O14 S2 -","2","1","","Kobayashi, Kyohei; Hirotsu, Masakazu; Kinoshita, Isamu","Skeletal Modification of Benzothiophene Mediated by Iron Carbonyls: Insertion of Terminal Alkynes with Migration of Amino and Alkoxy Groups","Organometallics","2013","32","18","5030","","10.1021/om400734s","","","0.71075","MoKα","","0.0325","0.0268","","","0.0598","0.0628","","","","","","1.033","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081468","14.2328","0.0007","14.5307","0.0007","15.9379","0.0008","92.544","0.003","113.818","0.002","92.667","0.003","3005","0.3","123","","123","","","","","","","","","9","P 1","P 1","1","","","","- C112 H89 B2 Cl5 F48 Ir2 N4 O4 P2 -","- C112 H86 B2 Cl5 F48 Ir2 N4 O4 P2 -","- C112 H86 B2 Cl5 F48 Ir2 N4 O4 P2 -","1","1","","Gruber, Stefan; Neuburger, Markus; Pfaltz, Andreas","Characterization and Reactivity Studies of Dinuclear Iridium Hydride Complexes Prepared from Iridium Catalysts with N,P and C,N Ligands under Hydrogenation Conditions","Organometallics","2013","32","16","4702","","10.1021/om4007467","","","0.71073","MoKα","","0.035","0.0267","","0.0497","0.0261","0.0255","","","","","","0.9621","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081469","12.8192","0.0003","16.1838","0.0004","17.2644","0.0004","67.907","0.001","69.401","0.001","84.593","0.001","3103.56","0.13","123","","123","","","","","","","","","9","P 1","P 1","1","","","","- C56.28 H47.55 B Cl2.55 F24 Ir N2 O2 P -","- C56.275 H43.55 B Cl2.55 F24 Ir N2 O2 P -","- C112.55 H87.1 B2 Cl5.1 F48 Ir2 N4 O4 P2 -","2","2","","Gruber, Stefan; Neuburger, Markus; Pfaltz, Andreas","Characterization and Reactivity Studies of Dinuclear Iridium Hydride Complexes Prepared from Iridium Catalysts with N,P and C,N Ligands under Hydrogenation Conditions","Organometallics","2013","32","16","4702","","10.1021/om4007467","","","0.71073","MoKα","","0.0321","0.0265","","0.0342","0.0269","0.0266","","","","","","1.0761","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081470","13.3861","0.0009","14.708","0.001","16.6176","0.0011","103.794","0.004","90.144","0.004","107.081","0.004","3027.9","0.4","123","","123","","","","","","","","","9","P 1","P 1","1","","","","- C109 H86 B2 Cl6 F48 Ir2 N2 O4 P2 -","- C109 H86 B2 Cl6 F48 Ir2 N2 O4 P2 -","- C109 H86 B2 Cl6 F48 Ir2 N2 O4 P2 -","1","1","","Gruber, Stefan; Neuburger, Markus; Pfaltz, Andreas","Characterization and Reactivity Studies of Dinuclear Iridium Hydride Complexes Prepared from Iridium Catalysts with N,P and C,N Ligands under Hydrogenation Conditions","Organometallics","2013","32","16","4702","","10.1021/om4007467","","","0.71073","MoKα","","0.0454","0.0352","","0.0548","0.0382","0.0374","","","","","","1.1125","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081471","13.0057","0.0009","16.3543","0.0012","17.8121","0.0012","70.889","0.003","85.622","0.004","66.774","0.004","3283.6","0.4","123","","123","","","","","","","","","8","P 1","P 1","1","","","","- C115 H104 B2 Cl6 F48 Ir2 N6 O2 -","- C115 H100 B2 Cl6 F48 Ir2 N6 O2 -","- C115 H100 B2 Cl6 F48 Ir2 N6 O2 -","1","1","","Gruber, Stefan; Neuburger, Markus; Pfaltz, Andreas","Characterization and Reactivity Studies of Dinuclear Iridium Hydride Complexes Prepared from Iridium Catalysts with N,P and C,N Ligands under Hydrogenation Conditions","Organometallics","2013","32","16","4702","","10.1021/om4007467","","","0.71073","MoKα","","0.0588","0.0453","","0.073","0.0498","0.0485","","","","","","1.125","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081472","16.6028","0.0013","10.0027","0.0007","29.372","0.003","90","","92.009","0.007","90","","4874.9","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 I2 N5 Ni O9 P -","- C49 H42 I2 N5 Ni O9 P -","- C196 H168 I8 N20 Ni4 O36 P4 -","4","1","","Osichow, Anna; Göttker-Schnetmann, Inigo; Mecking, Stefan","Role of Electron-Withdrawing Remote Substituents in Neutral Nickel(II) Polymerization Catalysts","Organometallics","2013","32","18","5239","","10.1021/om400757f","","","0.71073","MoKα","","0.105","0.062","","","0.1325","0.1529","","","","","","0.99","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081473","11.0497","0.0013","11.5321","0.0013","11.9882","0.0016","74.766","0.01","77.741","0.01","63.918","0.009","1315.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H13 I2 N5 O9 -","- C25 H13 I2 N5 O9 -","- C50 H26 I4 N10 O18 -","2","1","","Osichow, Anna; Göttker-Schnetmann, Inigo; Mecking, Stefan","Role of Electron-Withdrawing Remote Substituents in Neutral Nickel(II) Polymerization Catalysts","Organometallics","2013","32","18","5239","","10.1021/om400757f","","","0.71073","MoKα","","0.0493","0.0345","","","0.0764","0.0803","","","","","","1","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081474","9.8749","0.0003","10.5459","0.0003","12.6529","0.0004","105.097","0.002","105.81","0.002","90.071","0.002","1220.36","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Cl2 N4 O2 Pd S -","- C20 H30 Cl2 N4 O2 Pd S -","- C40 H60 Cl4 N8 O4 Pd2 S2 -","2","1","","Kinzhalov, Mikhail A.; Luzyanin, Konstantin V.; Boyarskiy, Vadim P.; Haukka, Matti; Kukushkin, Vadim Yu.","ADC-Based Palladium Catalysts for Aqueous Suzuki‒Miyaura Cross-Coupling Exhibit Greater Activity than the Most Advantageous Catalytic Systems","Organometallics","2013","32","18","5212","","10.1021/om4007592","","","0.71073","MoKα","","0.0435","0.0286","","","0.0589","0.0658","","","","","","1.044","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081475","11.6878","0.0005","11.6902","0.0004","11.7066","0.0005","111.747","0.001","102.344","0.002","95.338","0.002","1424.93","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H22 Cl6 N4 O2 Pd S -","- C23 H22 Cl6 N4 O2 Pd S -","- C46 H44 Cl12 N8 O4 Pd2 S2 -","2","1","","Kinzhalov, Mikhail A.; Luzyanin, Konstantin V.; Boyarskiy, Vadim P.; Haukka, Matti; Kukushkin, Vadim Yu.","ADC-Based Palladium Catalysts for Aqueous Suzuki‒Miyaura Cross-Coupling Exhibit Greater Activity than the Most Advantageous Catalytic Systems","Organometallics","2013","32","18","5212","","10.1021/om4007592","","","0.71073","MoKα","","0.0234","0.0199","","","0.0495","0.0508","","","","","","1.119","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081476","11.134","0.0009","13.8095","0.0011","14.0057","0.0019","103.382","0.005","92.886","0.005","112.918","0.003","1905.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H44 Cl2 N5 O3 P Pd -","- C39 H44 Cl2 N5 O3 P Pd -","- C78 H88 Cl4 N10 O6 P2 Pd2 -","2","1","","Kinzhalov, Mikhail A.; Luzyanin, Konstantin V.; Boyarskiy, Vadim P.; Haukka, Matti; Kukushkin, Vadim Yu.","ADC-Based Palladium Catalysts for Aqueous Suzuki‒Miyaura Cross-Coupling Exhibit Greater Activity than the Most Advantageous Catalytic Systems","Organometallics","2013","32","18","5212","","10.1021/om4007592","","","0.71073","MoKα","","0.0415","0.0327","","","0.0775","0.0842","","","","","","1.073","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081477","14.183","0.0006","10.3197","0.0004","22.6405","0.0011","90","","101.407","0.002","90","","3248.3","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H43 N2 O Ru S2 -","- C34 H43 N3 O Ru S2 -","- C136 H172 N12 O4 Ru4 S8 -","4","1","","McKinty, Adam M.; Lund, Clinton; Stephan, Douglas W.","A Tridentate-Dithiolate Ruthenium Alkylidene Complex: An Olefin Metathesis Catalyst Activated by BCl3","Organometallics","2013","32","17","4730","","10.1021/om400794u","","","0.71073","MoKα","","0.0532","0.0352","","","0.0749","0.0817","","","","","","0.975","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081478","34.706","0.004","10.5082","0.0013","28.072","0.004","90","","138.09","0.009","90","","6838.5","1.9","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C33 H42 B Cl5 N2 O Ru S2 -","- C32.5 H41 B Cl4 N2 O Ru S2 -","- C260 H328 B8 Cl32 N16 O8 Ru8 S16 -","8","1","","McKinty, Adam M.; Lund, Clinton; Stephan, Douglas W.","A Tridentate-Dithiolate Ruthenium Alkylidene Complex: An Olefin Metathesis Catalyst Activated by BCl3","Organometallics","2013","32","17","4730","","10.1021/om400794u","","","0.71073","MoKα","","0.0731","0.0389","","","0.0572","0.0623","","","","","","1.249","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081479","11.8055","0.0002","21.9531","0.0003","17.1265","0.0002","90","","96.03","0.001","90","","4414.07","0.11","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H45 B2 Cl8 N3 O Ru S2 -","- C35 H42 B2 Cl8 N3 O Ru S2 -","- C140 H168 B8 Cl32 N12 O4 Ru4 S8 -","4","1","","McKinty, Adam M.; Lund, Clinton; Stephan, Douglas W.","A Tridentate-Dithiolate Ruthenium Alkylidene Complex: An Olefin Metathesis Catalyst Activated by BCl3","Organometallics","2013","32","17","4730","","10.1021/om400794u","","","0.71073","MoKα","","0.0528","0.0367","","","0.0859","0.0935","","","","","","0.967","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081480","8.4753","0.0005","11.1021","0.0005","16.6772","0.0008","87.349","0.004","88.247","0.004","77.65","0.004","1530.92","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","1-Iodido-1-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)- 3,3,14,14-tetramethyl-3,14-disila-1-stanna[5,5]- ferrocenophane","","- C26 H43 Fe I O4 Si2 Sn -","- C26 H43 Fe I O4 Si2 Sn -","- C52 H86 Fe2 I2 O8 Si4 Sn2 -","2","1","","Wendji, Anicet Siakam; Lutter, Michael; Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Novel Tin-Containing Crown Ether Substituted Ferrocenophanes as Redox-Active Hosts for the Ditopic Complexation of Lithium Chloride","Organometallics","2013","32","20","5720","","10.1021/om400219r","","","0.71073","MoKα","","0.0685","0.0321","","","0.0447","0.0472","","","","","","0.741","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081481","32.4255","0.0014","10.5826","0.0005","17.6993","0.0007","90","","95.689","0.004","90","","6043.5","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1-Chlorido-1-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)- 3,3,14,14-tetramethyl-3,14-disila-1-stanna[5,5]- ferrocenophane","","- C26 H43 Cl Fe O4 Si2 Sn -","- C26 H43 Cl Fe O4 Si2 Sn -","- C208 H344 Cl8 Fe8 O32 Si16 Sn8 -","8","2","","Wendji, Anicet Siakam; Lutter, Michael; Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Novel Tin-Containing Crown Ether Substituted Ferrocenophanes as Redox-Active Hosts for the Ditopic Complexation of Lithium Chloride","Organometallics","2013","32","20","5720","","10.1021/om400219r","","","0.71073","MoKα","","0.0808","0.0298","","","0.0392","0.0426","","","","","","0.634","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081482","9.7753","0.0004","12.5265","0.0006","12.916","0.0007","90","","96.522","0.004","90","","1571.33","0.13","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","LiCl complex of compound3","","- C26 H43 Cl2 Fe Li O4 Si2 Sn -","- C26 H43 Cl2 Fe Li O4 Si2 Sn -","- C52 H86 Cl4 Fe2 Li2 O8 Si4 Sn2 -","2","1","","Wendji, Anicet Siakam; Lutter, Michael; Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Novel Tin-Containing Crown Ether Substituted Ferrocenophanes as Redox-Active Hosts for the Ditopic Complexation of Lithium Chloride","Organometallics","2013","32","20","5720","","10.1021/om400219r","","","0.71073","MoKα","","0.0364","0.0306","","","0.0509","0.0517","","","","","","0.937","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081483","11.4441","0.0005","14.931","0.001","17.1827","0.0008","90","","90","","90","","2936","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","1-Fluorido-1-(1,4,7,10-tetraoxacyclotridec-12-ylmethyl)- 3,3,14,14-tetramethyl-3,14-disila-1-stanna[5,5]- ferrocenophane","","- C26 H43 F Fe O4 Si2 Sn -","- C26 H43 F Fe O4 Si2 Sn -","- C104 H172 F4 Fe4 O16 Si8 Sn4 -","4","1","","Wendji, Anicet Siakam; Lutter, Michael; Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Novel Tin-Containing Crown Ether Substituted Ferrocenophanes as Redox-Active Hosts for the Ditopic Complexation of Lithium Chloride","Organometallics","2013","32","20","5720","","10.1021/om400219r","","","0.71073","MoKα","","0.0492","0.0359","","","0.0623","0.064","","","","","","0.905","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081484","8.8362","0.0002","11.402","0.0003","12.9505","0.0003","67.744","0.002","89.113","0.002","89.561","0.001","1207.42","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 Fe N2 O P S -","- C27 H29 Fe N2 O P S -","- C54 H58 Fe2 N4 O2 P2 S2 -","2","1","","Štěpnička, Petr; Schneiderová, Barbora; Schulz, Jiří; Císařová, Ivana","Synthesis, Coordination Properties, and Catalytic Use of Phosphinoferrocene Carboxamides Bearing Donor-Functionalized Amide Substituents","Organometallics","2013","32","20","5754","","10.1021/om400282z","","","0.71073","MoKα","","0.0412","0.0312","","","0.0758","0.0812","","","","","","1.049","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081485","18.2361","0.0004","8.1606","0.0001","19.9148","0.0005","90","","109.993","0.0009","90","","2785.06","0.1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Fe I N2 O P S -","- C28 H32 Fe I N2 O P S -","- C112 H128 Fe4 I4 N8 O4 P4 S4 -","4","1","","Štěpnička, Petr; Schneiderová, Barbora; Schulz, Jiří; Císařová, Ivana","Synthesis, Coordination Properties, and Catalytic Use of Phosphinoferrocene Carboxamides Bearing Donor-Functionalized Amide Substituents","Organometallics","2013","32","20","5754","","10.1021/om400282z","","","0.71073","MoKα","","0.0435","0.0272","","","0.0571","0.0619","","","","","","1.033","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081486","17.692","0.002","7.8424","0.0006","20.296","0.002","90","","111.563","0.004","90","","2618.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cl Fe N2 O P -","- C28 H32 Cl Fe N2 O P -","- C112 H128 Cl4 Fe4 N8 O4 P4 -","4","1","","Štěpnička, Petr; Schneiderová, Barbora; Schulz, Jiří; Císařová, Ivana","Synthesis, Coordination Properties, and Catalytic Use of Phosphinoferrocene Carboxamides Bearing Donor-Functionalized Amide Substituents","Organometallics","2013","32","20","5754","","10.1021/om400282z","","","0.71073","MoKα","","0.092","0.0445","","","0.0872","0.1029","","","","","","1.014","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081487","10.7203","0.0002","19.6344","0.0004","12.5021","0.0002","90","","98.402","0.001","90","","2603.28","0.08","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","trans-dichlorido-{1-(diphenylphosphino-kP)-1'- [(2-(dimethylamino-kN)ethyl)carbamoyl]ferrocene}palladium(II)","","- C27 H29 Cl2 Fe N2 O P Pd -","- C27 H29 Cl2 Fe N2 O P Pd -","- C108 H116 Cl8 Fe4 N8 O4 P4 Pd4 -","4","1","","Štěpnička, Petr; Schneiderová, Barbora; Schulz, Jiří; Císařová, Ivana","Synthesis, Coordination Properties, and Catalytic Use of Phosphinoferrocene Carboxamides Bearing Donor-Functionalized Amide Substituents","Organometallics","2013","32","20","5754","","10.1021/om400282z","","","0.71073","MoKα","","0.0539","0.0426","","","0.1081","0.1161","","","","","","1.131","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081488","9.3728","0.0001","9.8452","0.0001","18.5988","0.0002","78.3571","0.0006","76.9884","0.0006","87.6089","0.0007","1637.76","0.03","150","2","150","2","","","","","","","","8","P 1","P 1","1","","","","- C37 H33 Cl2 Fe N O P2 Pd -","- C37 H33 Cl2 Fe N O P2 Pd -","- C74 H66 Cl4 Fe2 N2 O2 P4 Pd2 -","2","2","","Štěpnička, Petr; Schneiderová, Barbora; Schulz, Jiří; Císařová, Ivana","Synthesis, Coordination Properties, and Catalytic Use of Phosphinoferrocene Carboxamides Bearing Donor-Functionalized Amide Substituents","Organometallics","2013","32","20","5754","","10.1021/om400282z","","","0.71073","MoKα","","0.0334","0.0289","","","0.0632","0.0654","","","","","","1.043","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081489","11.4051","0.0004","12.2009","0.0004","15.6781","0.0004","74.657","0.002","78.227","0.002","69.11","0.001","1950.97","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H90 Cl4 Fe2 N2 O4 P4 Pd2 -","- C84 H90 Cl4 Fe2 N2 O4 P4 Pd2 -","- C84 H90 Cl4 Fe2 N2 O4 P4 Pd2 -","1","0.5","","Štěpnička, Petr; Schneiderová, Barbora; Schulz, Jiří; Císařová, Ivana","Synthesis, Coordination Properties, and Catalytic Use of Phosphinoferrocene Carboxamides Bearing Donor-Functionalized Amide Substituents","Organometallics","2013","32","20","5754","","10.1021/om400282z","","","0.71073","MoKα","","0.0649","0.0447","","","0.1111","0.1231","","","","","","1.037","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4081490","10.1451","0.0009","11.0305","0.0006","13.9622","0.0011","90","","98.566","0.007","90","","1545","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Fe N2 O3 -","- C17 H18 Fe N2 O3 -","- C68 H72 Fe4 N8 O12 -","4","1","","Kowalski, Konrad; Skiba, Joanna; Oehninger, Luciano; Ott, Ingo; Solecka, Jolanta; Rajnisz, Aleksandra; Therrien, Bruno","Metallocene-Modified Uracils: Synthesis, Structure, and Biological Activity","Organometallics","2013","32","20","5766","","10.1021/om400294s","","","0.71073","MoKα","","0.087","0.0595","","","0.1311","0.1438","","","","","","1.056","","","","has coordinates,has disorder","178703","2020-10-21","18:00:00",""
"4081491","6.8403","0.0007","11.1697","0.0012","11.2347","0.0013","116.487","0.008","92.487","0.009","90.037","0.009","767.36","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H15 F Fe N2 O3 -","- C17 H15 F Fe N2 O3 -","- C34 H30 F2 Fe2 N4 O6 -","2","1","","Kowalski, Konrad; Skiba, Joanna; Oehninger, Luciano; Ott, Ingo; Solecka, Jolanta; Rajnisz, Aleksandra; Therrien, Bruno","Metallocene-Modified Uracils: Synthesis, Structure, and Biological Activity","Organometallics","2013","32","20","5766","","10.1021/om400294s","","","0.71073","MoKα","","0.141","0.1165","","","0.3219","0.3364","","","","","","1.096","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081492","17.9016","0.0008","7.908","0.0003","12.1015","0.0006","90","","90","","90","","1713.16","0.13","115","2","115","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H28 Fe N2 -","- C20 H28 Fe N2 -","- C80 H112 Fe4 N8 -","4","0.5","","Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille","Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis","Organometallics","2013","32","20","5784","","10.1021/om400317s","","","0.71073","MoKα","","0.0394","0.0299","","","0.0699","0.0759","","","","","","1.047","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081493","9.1059","0.0006","11.3694","0.0008","9.7342","0.0004","90","","104.726","0.004","90","","974.67","0.1","115","2","115","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Fe N2 -","- C22 H32 Fe N2 -","- C44 H64 Fe2 N4 -","2","0.5","","Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille","Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis","Organometallics","2013","32","20","5784","","10.1021/om400317s","","","0.71073","MoKα","","0.0475","0.0376","","","0.0754","0.0819","","","","","","1.113","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081494","10.6456","0.0002","13.2667","0.0003","18.3268","0.0005","100.591","0.001","94.3435","0.0011","110.424","0.0012","2356.65","0.1","115","2","115","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H40 Fe N2 -","- C40 H40 Fe N2 -","- C120 H120 Fe3 N6 -","3","1.5","","Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille","Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis","Organometallics","2013","32","20","5784","","10.1021/om400317s","","","0.71073","MoKα","","0.0534","0.0432","","","0.0992","0.1065","","","","","","1.073","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081495","18.6496","0.0008","10.0057","0.0004","9.328","0.0003","90","","90","","90","","1740.63","0.12","115","2","115","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H25 Fe N -","- C22 H25 Fe N -","- C88 H100 Fe4 N4 -","4","1","","Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille","Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis","Organometallics","2013","32","20","5784","","10.1021/om400317s","","","0.71073","MoKα","","0.0382","0.0342","","","0.0731","0.0767","","","","","","1.086","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081496","5.749","0.0002","20.5514","0.0009","11.8247","0.0005","90","","102.168","0.002","90","","1365.7","0.1","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Fe N -","- C16 H21 Fe N -","- C64 H84 Fe4 N4 -","4","1","","Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille","Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis","Organometallics","2013","32","20","5784","","10.1021/om400317s","","","0.71073","MoKα","","0.0341","0.0294","","","0.0646","0.0675","","","","","","1.051","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081497","6.0269","0.0002","11.1842","0.0003","11.4003","0.0004","94.4661","0.0018","101.063","0.0017","104.992","0.0017","721.88","0.04","115","2","115","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Fe N -","- C19 H19 Fe N -","- C38 H38 Fe2 N2 -","2","1","","Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille","Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis","Organometallics","2013","32","20","5784","","10.1021/om400317s","","","0.71073","MoKα","","0.0233","0.0222","","","0.0524","0.0532","","","","","","1.066","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081498","6.0969","0.0003","7.449","0.0003","20.8484","0.0009","90","","96.632","0.002","90","","940.51","0.07","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H32 Fe N2 -","- C20 H32 Fe N2 -","- C40 H64 Fe2 N4 -","2","1","","Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille","Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis","Organometallics","2013","32","20","5784","","10.1021/om400317s","","","0.71073","MoKα","","0.0309","0.0288","","","0.0655","0.0674","","","","","","1.072","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081499","16.6185","0.0007","12.3572","0.0007","10.3747","0.0005","90","","90.277","0.003","90","","2130.5","0.18","115","2","115","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 Fe2 N -","- C26 H31 Fe2 N -","- C104 H124 Fe8 N4 -","4","1","","Dwadnia, Nejib; Allouch, Fatima; Pirio, Nadine; Roger, Julien; Cattey, Hélène; Fournier, Sophie; Penouilh, Marie-Josée; Devillers, Charles H.; Lucas, Dominique; Naoufal, Daoud; Ben Salem, Ridha; Hierso, Jean-Cyrille","Aminomethyl-Substituted Ferrocenes and Derivatives: Straightforward Synthetic Routes, Structural Characterization, and Electrochemical Analysis","Organometallics","2013","32","20","5784","","10.1021/om400317s","","","0.71073","MoKα","","0.098","0.0615","","","0.1096","0.13","","","","","","1.228","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4081500","10.2624","0.0006","10.6936","0.0007","16.0424","0.001","79.4543","0.0022","86.3043","0.0022","86.4526","0.0021","1724.94","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H55 Fe N2 O P2 Sc Si -","- C30 H55 Fe N2 O P2 Sc Si -","- C60 H110 Fe2 N4 O2 P4 Sc2 Si2 -","2","1","","Halcovitch, Nathan R.; Fryzuk, Michael D.","Synthesis of a Dinuclear Ferrocene-Linked Bis(phosphinoamide)scandium Hydride Complex","Organometallics","2013","32","20","5705","","10.1021/om400353h","","","0.71073","MoKα","","0.0259","0.0235","","","0.068","0.0768","","","","","","1.125","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081501","10.9158","0.0002","12.039","0.0002","12.6807","0.0002","111.821","0.003","94.872","0.004","110.731","0.003","1401.16","0.07","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H90 Fe2 N4 O2 P4 Sc2 -","- C52 H90 Fe2 N4 O2 P4 Sc2 -","- C52 H90 Fe2 N4 O2 P4 Sc2 -","1","0.5","","Halcovitch, Nathan R.; Fryzuk, Michael D.","Synthesis of a Dinuclear Ferrocene-Linked Bis(phosphinoamide)scandium Hydride Complex","Organometallics","2013","32","20","5705","","10.1021/om400353h","","","0.71073","MoKα","","0.035","0.0263","","","0.0627","0.0662","","","","","","1.053","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081502","39.0518","0.0015","10.6027","0.0004","7.4863","0.0003","90","","96.599","0.002","90","","3079.2","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 Fe N O3 -","- C19 H17 Fe N O3 -","- C152 H136 Fe8 N8 O24 -","8","1","","Amin, Jahangir; Chuckowree, Irina S.; Wang, Minghua; Tizzard, Graham J.; Coles, Simon J.; Spencer, John","Synthesis of Oxindole-Based Bioorganometallic Kinase Inhibitors Incorporating One or More Ferrocene Groups","Organometallics","2013","32","20","5818","","10.1021/om400359m","","","0.71073","MoKα","","0.1156","0.0752","","","0.1259","0.1447","","","","","","1.149","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081503","11.8202","0.0006","13.7547","0.0007","15.6626","0.0005","89.296","0.003","75.583","0.003","81.601","0.002","2439.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Fe2 N2 O2 -","- C30 H24 Fe2 N2 O2 -","- C120 H96 Fe8 N8 O8 -","4","2","","Amin, Jahangir; Chuckowree, Irina S.; Wang, Minghua; Tizzard, Graham J.; Coles, Simon J.; Spencer, John","Synthesis of Oxindole-Based Bioorganometallic Kinase Inhibitors Incorporating One or More Ferrocene Groups","Organometallics","2013","32","20","5818","","10.1021/om400359m","","","0.71073","MoKα","","0.1567","0.0911","","","0.1519","0.1809","","","","","","1.171","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081504","16.699","0.012","5.615","0.004","40.11","0.03","90","","90","","90","","3761","5","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H19 Fe N3 O2 -","- C24 H19 Fe N3 O2 -","- C192 H152 Fe8 N24 O16 -","8","2","","Amin, Jahangir; Chuckowree, Irina S.; Wang, Minghua; Tizzard, Graham J.; Coles, Simon J.; Spencer, John","Synthesis of Oxindole-Based Bioorganometallic Kinase Inhibitors Incorporating One or More Ferrocene Groups","Organometallics","2013","32","20","5818","","10.1021/om400359m","","","0.6889","","","0.1638","0.1222","","","0.3059","0.348","","","","","","1.044","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081505","10.4395","0.0006","15.4381","0.0009","21.7827","0.0012","89.472","0.003","81.917","0.003","71.83","0.003","3300.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H62 F6 Fe N6 O14 Pd2 S4 -","- C64 H62 F6 Fe N6 O14 Pd2 S4 -","- C128 H124 F12 Fe2 N12 O28 Pd4 S8 -","2","1","","Weber, Manuel; Klein, Johannes E. M. N.; Miehlich, Burkhard; Frey, Wolfgang; Peters, René","Monomeric Ferrocene Bis-Imidazoline Bis-Palladacycles: Variation of Pd‒Pd Distances by an Interplay of Metallophilic, Dispersive, and Coulombic Interactions","Organometallics","2013","32","20","5810","","10.1021/om400360d","","","0.71073","MoKα","","0.0367","0.0314","","","0.0765","0.0789","","","","","","1.082","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081506","14.211","0.0007","14.211","0.0007","31.1139","0.0016","90","","90","","120","","5441.7","0.5","100","2","100","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C68 H62 F6 Fe N6 O18 Pd2 S4 -","- C68 H62 F6 Fe N6 O18 Pd2 S4 -","- C204 H186 F18 Fe3 N18 O54 Pd6 S12 -","3","0.5","","Weber, Manuel; Klein, Johannes E. M. N.; Miehlich, Burkhard; Frey, Wolfgang; Peters, René","Monomeric Ferrocene Bis-Imidazoline Bis-Palladacycles: Variation of Pd‒Pd Distances by an Interplay of Metallophilic, Dispersive, and Coulombic Interactions","Organometallics","2013","32","20","5810","","10.1021/om400360d","","","0.71073","MoKα","","0.099","0.0782","","","0.1722","0.1836","","","","","","1.043","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081507","18.8177","0.0012","32.078","0.002","9.8829","0.0006","90","","90","","90","","5965.7","0.6","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C66.5 H64 Fe N4 O8 Pd2 S2 -","- C66.5 H64 Fe N4 O8 Pd2 S2 -","- C266 H256 Fe4 N16 O32 Pd8 S8 -","4","1","","Weber, Manuel; Klein, Johannes E. M. N.; Miehlich, Burkhard; Frey, Wolfgang; Peters, René","Monomeric Ferrocene Bis-Imidazoline Bis-Palladacycles: Variation of Pd‒Pd Distances by an Interplay of Metallophilic, Dispersive, and Coulombic Interactions","Organometallics","2013","32","20","5810","","10.1021/om400360d","","","0.71073","MoKα","","0.0425","0.0357","","","0.0715","0.0732","","","","","","1.082","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081508","16.066","0.0016","16.066","0.0016","5.9225","0.0006","90","","90","","120","","1323.9","0.2","293","2","293","2","","","","","","","","4","P -3","-P 3","147","","","","- C30 H28 Fe3 Si -","- C30 H28 Fe3 Si -","- C60 H56 Fe6 Si2 -","2","0.333333","","Herrero, Marta; Sevilla, Raquel; Casado, Carmen M.; Losada, José; Garc\?ía-Armada, Pilar; Rodr\?íguez-Diéguez, Antonio; Briones, David; Alonso, Beatriz","Synthesis and Electrochemistry of ((Diferrocenylsilyl)propyl)- and ((Triferrocenylsilyl)propyl)triethoxysilanes","Organometallics","2013","32","20","5826","","10.1021/om400387c","","","0.71069","MoKα","","0.0615","0.0572","","","0.1537","0.1576","","","","","","1.02","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081509","9.142","0.0001","9.142","0.0001","40.0765","0.0005","90","","90","","120","","2900.7","0.06","100","2","100","2","","","","","","","","6","P 61","P 61","169","","","","- C24 H23 Fe N O S -","- C24 H23 Fe N O S -","- C144 H138 Fe6 N6 O6 S6 -","6","1","","Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder","Stereoselective Ortho Borylation of Pyridylferrocenes","Organometallics","2013","32","20","5843","","10.1021/om400426g","","","1.54178","CuKα","","0.027","0.025","","","0.061","0.061","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081510","10.0515","0.0002","10.0515","0.0002","32.8264","0.0008","90","","90","","120","","2872.21","0.11","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C20 H25 Fe N Sn -","- C20 H25 Fe N Sn -","- C120 H150 Fe6 N6 Sn6 -","6","1","","Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder","Stereoselective Ortho Borylation of Pyridylferrocenes","Organometallics","2013","32","20","5843","","10.1021/om400426g","","","1.54178","CuKα","","0.028","0.027","","","0.065","0.065","","","","","","1.08","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081511","21.8325","0.0003","8.9628","0.0001","11.3912","0.0002","90","","98.691","0.001","90","","2203.44","0.06","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53 H50 B2 Cl2 Fe2 N2 -","- C53 H50 B2 Cl2 Fe2 N2 -","- C106 H100 B4 Cl4 Fe4 N4 -","2","0.5","","Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder","Stereoselective Ortho Borylation of Pyridylferrocenes","Organometallics","2013","32","20","5843","","10.1021/om400426g","","","1.54178","CuKα","","0.032","0.028","","","0.059","0.06","","","","","","1","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081512","21.8206","0.0003","8.9498","0.0001","11.3981","0.0001","90","","98.716","0.001","90","","2200.23","0.04","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C53 H50 B2 Cl2 Fe2 N2 -","- C53 H50 B2 Cl2 Fe2 N2 -","- C106 H100 B4 Cl4 Fe4 N4 -","2","0.5","","Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder","Stereoselective Ortho Borylation of Pyridylferrocenes","Organometallics","2013","32","20","5843","","10.1021/om400426g","","","1.54178","CuKα","","0.045","0.038","","","0.075","0.077","","","","","","1.05","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081513","13.1651","0.0004","14.3393","0.0004","26.7028","0.0007","90","","90","","90","","5040.9","0.2","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C36 H23 Al Cl3 F36 Fe N O4 Sn -","- C36 H23 Al Cl3 F36 Fe N O4 Sn -","- C144 H92 Al4 Cl12 F144 Fe4 N4 O16 Sn4 -","4","1","","Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder","Stereoselective Ortho Borylation of Pyridylferrocenes","Organometallics","2013","32","20","5843","","10.1021/om400426g","","","1.54178","CuKα","","0.068","0.065","","","0.164","0.166","","","","","","1.03","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081514","24.181","0.005","15.108","0.005","27.62","0.005","90","0.005","95.179","0.005","90","0.005","10049","4","100","2","100","2","","","","","","","","9","C 1 c 1","C -2yc","9","","","","- C55 H50 B Cu F4 Fe N6 O P2 -","- C55 H50.5 B Cu F4 Fe N6 O P2 -","- C440 H404 B8 Cu8 F32 Fe8 N48 O8 P16 -","8","2","","Schweinfurth, David; Büttner, Nadin; Hohloch, Stephan; Deibel, Naina; Klein, Johannes; Sarkar, Biprajit","Heterobimetallic Cu‒dppf (dppf = 1,1′-Bis(diphenylphosphino)ferrocene) Complexes with “Click” Derived Ligands: A Combined Structural, Electrochemical, Spectroelectrochemical, and Theoretical Study","Organometallics","2013","32","20","5834","","10.1021/om400429f","","","0.71069","MoKα","","0.047","0.0407","","","0.1009","0.1055","","","","","","1.009","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081515","19.502","0.005","20.029","0.005","14.304","0.005","90","0.005","125.115","0.005","90","0.005","4570","2","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 B Cu F4 Fe N2 O2 P2 -","- C50 H48 B Cu F4 Fe N2 O2 P2 -","- C200 H192 B4 Cu4 F16 Fe4 N8 O8 P8 -","4","0.5","","Schweinfurth, David; Büttner, Nadin; Hohloch, Stephan; Deibel, Naina; Klein, Johannes; Sarkar, Biprajit","Heterobimetallic Cu‒dppf (dppf = 1,1′-Bis(diphenylphosphino)ferrocene) Complexes with “Click” Derived Ligands: A Combined Structural, Electrochemical, Spectroelectrochemical, and Theoretical Study","Organometallics","2013","32","20","5834","","10.1021/om400429f","","","0.71069","MoKα","","0.0671","0.0453","","","0.1115","0.1252","","","","","","1.039","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081516","3.9494","0.0017","13.228","0.006","16.541","0.007","90","","93.83","0.01","90","","862.2","0.7","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N6 S2 -","- C18 H16 N6 S2 -","- C36 H32 N12 S4 -","2","0.5","","Schweinfurth, David; Büttner, Nadin; Hohloch, Stephan; Deibel, Naina; Klein, Johannes; Sarkar, Biprajit","Heterobimetallic Cu‒dppf (dppf = 1,1′-Bis(diphenylphosphino)ferrocene) Complexes with “Click” Derived Ligands: A Combined Structural, Electrochemical, Spectroelectrochemical, and Theoretical Study","Organometallics","2013","32","20","5834","","10.1021/om400429f","","","0.71073","MoKα","","0.0401","0.0336","","","0.0819","0.0852","","","","","","1.094","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081517","11.813","0.002","14.139","0.003","15.077","0.003","105.49","0.03","104.27","0.03","94.76","0.03","2321.8","1","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C48 H40 B Cu F4 Fe N4 P2 S -","- C48 H40 B Cu F4 Fe N4 P2 S -","- C96 H80 B2 Cu2 F8 Fe2 N8 P4 S2 -","2","1","","Schweinfurth, David; Büttner, Nadin; Hohloch, Stephan; Deibel, Naina; Klein, Johannes; Sarkar, Biprajit","Heterobimetallic Cu‒dppf (dppf = 1,1′-Bis(diphenylphosphino)ferrocene) Complexes with “Click” Derived Ligands: A Combined Structural, Electrochemical, Spectroelectrochemical, and Theoretical Study","Organometallics","2013","32","20","5834","","10.1021/om400429f","","","0.71073","MoKα","","0.1358","0.0597","","","0.1309","0.1435","","","","","","1.026","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081518","13.326","0.0009","9.0104","0.0004","19.0175","0.0013","90","","106.222","0.005","90","","2192.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Fe N6 O -","- C20 H34 Fe N6 O -","- C80 H136 Fe4 N24 O4 -","4","1","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.0339","0.0299","","","0.0794","0.0812","","","","","","1.053","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081519","10.0532","0.0018","15.1778","0.0018","17.69","0.002","90","","90","","90","","2699.2","0.7","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H42 Fe N6 O -","- C28 H42 Fe N6 O -","- C112 H168 Fe4 N24 O4 -","4","0.5","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.168","0.0649","","","0.0963","0.1242","","","","","","0.843","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081520","10.4541","0.0013","17.9017","0.0014","12.2141","0.0013","90","","110.141","0.009","90","","2146","0.4","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H32 Fe N6 -","- C20 H32 Fe N6 -","- C80 H128 Fe4 N24 -","4","0.5","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.0422","0.031","","","0.0898","0.0979","","","","","","0.674","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081521","10.5562","0.0007","10.6369","0.0005","18.5641","0.0012","90","","90.229","0.006","90","","2084.5","0.2","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Fe N6 -","- C22 H32 Fe N6 -","- C88 H128 Fe4 N24 -","4","1","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.0398","0.0251","","","0.0512","0.0535","","","","","","0.881","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081522","16.5101","0.0013","8.8777","0.0005","19.3502","0.0016","90","","95.344","0.007","90","","2823.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H60 Cl10 Fe2 N12 Pd3 -","- C42 H60 Cl10 Fe2 N12 Pd3 -","- C84 H120 Cl20 Fe4 N24 Pd6 -","2","0.5","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.0604","0.0476","","","0.1251","0.1311","","","","","","1.046","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081523","29.69","0.005","14.661","0.003","17.644","0.003","90","","106.333","0.012","90","","7370","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H66 Cl12 Fe2 N12 Pd3 -","- C42 H66 Cl12 Fe2 N12 Pd3 -","- C168 H264 Cl48 Fe8 N48 Pd12 -","4","0.5","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.1943","0.0822","","","0.145","0.1777","","","","","","0.721","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081524","15.7458","0.001","16.7413","0.0008","11.8479","0.0007","90","","90.169","0.005","90","","3123.2","0.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Fe N6 O -","- C32 H50 Fe N6 O -","- C128 H200 Fe4 N24 O4 -","4","1","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.0392","0.0293","","","0.0698","0.0725","","","","","","0.992","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081525","26.484","0.002","20.994","0.003","9.2353","0.0007","90","","90","","90","","5134.9","0.9","130","2","130","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H40 Fe N6 -","- C28 H40 Fe N6 -","- C224 H320 Fe8 N48 -","8","0.5","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.0222","0.0209","","","0.0528","0.0531","","","","","","1.043","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081526","10.1802","0.0013","10.3667","0.0011","20.487","0.002","101.933","0.008","95.294","0.009","102.559","0.009","2043.3","0.4","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H100 Cl12 Fe2 N12 Pd4 -","- C66 H100 Cl12 Fe2 N12 Pd4 -","- C66 H100 Cl12 Fe2 N12 Pd4 -","1","0.5","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.2526","0.2224","","","0.5535","0.5627","","","","","","2.084","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081527","16.9539","0.0008","6.0171","0.0003","20.5132","0.0008","90","","91.179","0.003","90","","2092.18","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Fe N6 O -","- C20 H30 Fe N6 O -","- C80 H120 Fe4 N24 O4 -","4","1","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.064","0.0545","","","0.1343","0.1395","","","","","","1.003","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081528","18.754","0.002","13.3093","0.0018","12.2583","0.0012","90","","108.671","0.008","90","","2898.7","0.6","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C27 H35 F3 Fe N6 O3 S -","- C27 H35 F3 Fe N6 O3 S -","- C108 H140 F12 Fe4 N24 O12 S4 -","4","1","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.1736","0.0771","","","0.1696","0.2123","","","","","","0.828","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081529","10.5867","0.0006","10.9127","0.0007","16.5647","0.0009","90","","90","","90","","1913.71","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H28 Fe N6 -","- C20 H28 Fe N6 -","- C80 H112 Fe4 N24 -","4","0.5","","Klapp, Lutz R. R.; Bruhn, Clemens; Leibold, Michael; Siemeling, Ulrich","Ferrocene-Based Bis(guanidines): Superbases for Tridentate N,Fe,N-Coordination","Organometallics","2013","32","20","5862","","10.1021/om400454v","","","0.71073","MoKα","","0.0313","0.0274","","","0.0793","0.0811","","","","","","1.064","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081530","12.0203","0.0005","13.1333","0.0006","14.5297","0.0006","64.907","0.003","75.654","0.003","64.757","0.002","1872.62","0.15","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C78 H64 B2 Cl6 Cu2 F8 Fe2 N6 P4 -","- C78 H60 B2 Cl6 Cu2 F8 Fe2 N6 P4 -","- C78 H60 B2 Cl6 Cu2 F8 Fe2 N6 P4 -","1","0.5","","Jana, Rajkumar; Lissner, Falk; Schwederski, Brigitte; Fiedler, Jan; Kaim, Wolfgang","A Ligand-Bridged Heterotetranuclear (Fe2Cu2) Redox System with Fc/Fc+and Radical Ion Intermediates","Organometallics","2013","32","20","5879","","10.1021/om400466u","","","0.71073","MoKα","","0.148","0.0778","","","0.1301","0.1584","","","","","","1.141","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081531","22.6673","0.0007","18.0003","0.0007","18.1507","0.0006","90","","78.516","0.002","90","","7257.6","0.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C77 H62 B Cl4 Cu2 F4 Fe2 N6 P4 -","- C77 H60 B Cl4 Cu2 F4 Fe2 N6 P4 -","- C308 H240 B4 Cl16 Cu8 F16 Fe8 N24 P16 -","4","1","","Jana, Rajkumar; Lissner, Falk; Schwederski, Brigitte; Fiedler, Jan; Kaim, Wolfgang","A Ligand-Bridged Heterotetranuclear (Fe2Cu2) Redox System with Fc/Fc+and Radical Ion Intermediates","Organometallics","2013","32","20","5879","","10.1021/om400466u","","","0.71073","MoKα","","0.1654","0.1019","","","0.2016","0.2311","","","","","","1.1","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081532","16.968","0.0002","20.8368","0.0002","17.5847","0.0002","90","","90","","90","","6217.23","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H56 Fe N2 -","- C32 H56 Fe N2 -","- C256 H448 Fe8 N16 -","8","2","","Kreye, Markus; Baabe, Dirk; Schweyen, Peter; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Walter, Marc D.","Synthesis and Reactivity of Sterically Encumbered Diazaferrocenes","Organometallics","2013","32","20","5887","","10.1021/om400474e","","","1.54184","CuKα","","0.0304","0.0288","","","0.0714","0.0724","","","","","","1.031","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081533","19.6586","0.001","14.7578","0.0008","12.1964","0.0008","90","","104.07","0.006","90","","3432.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H58 F6 Fe Sb -","- C34 H58 F6 Fe Sb -","- C136 H232 F24 Fe4 Sb4 -","4","0.5","","Kreye, Markus; Baabe, Dirk; Schweyen, Peter; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Walter, Marc D.","Synthesis and Reactivity of Sterically Encumbered Diazaferrocenes","Organometallics","2013","32","20","5887","","10.1021/om400474e","","","1.54184","CuKα","","0.0358","0.0319","","","0.0731","0.0753","","","","","","1.044","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081534","10.535","0.0004","12.3074","0.0005","14.1764","0.0006","78.32","0.002","76.264","0.002","77.315","0.002","1719.89","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H50 Cl2 F6 Fe N2 Sb -","- C29 H50 Cl2 F6 Fe N2 Sb -","- C58 H100 Cl4 F12 Fe2 N4 Sb2 -","2","1","","Kreye, Markus; Baabe, Dirk; Schweyen, Peter; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Walter, Marc D.","Synthesis and Reactivity of Sterically Encumbered Diazaferrocenes","Organometallics","2013","32","20","5887","","10.1021/om400474e","","","0.71073","MoKα","","0.0414","0.0301","","","0.056","0.0603","","","","","","1.069","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081535","6.0771","0.0004","11.3578","0.0005","24.8096","0.001","90","","90","","90","","1712.42","0.15","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-2-Ferrocenyl-(3a,4,5,6,7,7a-octahydro-1,3-dimethyl- 1,3,2-benzodiaza-phosphol)-2-oxid","","- C18 H25 Fe N2 O P -","- C18 H25 Fe N2 O P -","- C72 H100 Fe4 N8 O4 P4 -","4","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0393","0.0269","","","0.0512","0.0526","","","","","","0.8","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081536","6.0784","0.0002","11.3791","0.0004","24.8126","0.0008","90","","90","","90","","1716.21","0.1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3aS,7aS)-2-Ferrocenyl-(3a,4,5,6,7,7a-octahydro-1,3-dimethyl- 1,3,2-benzodiaza-phosphol)-2-oxid","","- C18 H25 Fe N2 O P -","- C18 H25 Fe N2 O P -","- C72 H100 Fe4 N8 O4 P4 -","4","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0295","0.0244","","","0.0569","0.058","","","","","","0.833","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081537","8.772","0.0008","10.015","0.0009","10.8988","0.0009","99.082","0.007","108.195","0.008","111.41","0.009","805.84","0.16","173","2","173","2","","","","","","","","7","P 1","P 1","1","","(3aR,7aR)-[(RFc)-(2-Triphenylstannyl)ferrocenyl]-(3a,4,5,6,7,7a- octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C36 H39 Fe N2 O P Sn -","- C36 H39 Fe N2 O P Sn -","- C36 H39 Fe N2 O P Sn -","1","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0487","0.0378","","","0.059","0.0608","","","","","","0.8","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081538","10.3984","0.0006","14.8438","0.001","21.1129","0.0013","90","","90","","90","","3258.8","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-[(RFc)-(2-Triphenylstannyl)ferrocenyl]-(3a,4,5,6,7,7a- octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C36 H39 Fe N2 O P Sn -","- C36 H39 Fe N2 O P Sn -","- C144 H156 Fe4 N8 O4 P4 Sn4 -","4","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0499","0.0355","","","0.0677","0.0711","","","","","","0.973","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081539","8.7793","0.0004","10.0243","0.0004","10.8791","0.0005","99.137","0.004","108.131","0.004","111.422","0.004","805.86","0.08","173","2","173","2","","","","","","","","7","P 1","P 1","1","","(3aS,7aS)-[(SFc)-(2-Triphenylstannyl)ferrocenyl]-(3a,4,5,6,7,7a- octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C36 H39 Fe N2 O P Sn -","- C36 H39 Fe N2 O P Sn -","- C36 H39 Fe N2 O P Sn -","1","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0362","0.0313","","","0.0493","0.05","","","","","","0.855","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081540","8.5983","0.0003","18.113","0.0006","22.3229","0.0008","90","","91.524","0.003","90","","3475.4","0.2","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(3aS,7aS)-[(SFc)-(2-Triphenylstannyl)ferrocenyl]-(3a,4,5,6,7,7a- octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C38 H44 Fe N2 O1.5 P Sn -","- C38 H44 Fe N2 O1.5 P Sn -","- C152 H176 Fe4 N8 O6 P4 Sn4 -","4","2","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0377","0.0295","","","0.0623","0.065","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081541","11.4229","0.0006","8.4617","0.0004","15.34","0.0007","90","","91.483","0.004","90","","1482.22","0.12","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","(3aR,7aR)-[(RFc)-(2-Monoiodidodiphenylstannyl)ferrocenyl]- (3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C30 H34 Fe I N2 O P Sn -","- C30 H34 Fe I N2 O P Sn -","- C60 H68 Fe2 I2 N4 O2 P2 Sn2 -","2","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0454","0.0334","","","0.0545","0.0558","","","","","","0.847","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081542","10.3324","0.0003","14.698","0.0004","35.9428","0.001","90","","90","","90","","5458.5","0.3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-[(RFc)-(2-Diiodidomonophenylstannyl)ferrocenyl]- (3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C24 H29 Fe I2 N2 O P Sn -","- C24 H29 Fe I2 N2 O P Sn -","- C192 H232 Fe8 I16 N16 O8 P8 Sn8 -","8","2","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0496","0.0376","","","0.0479","0.0495","","","","","","0.935","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081543","8.3964","0.0002","15.6834","0.0004","21.3063","0.0005","90","","90","","90","","2805.7","0.12","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-[(RFc)-(2-Triiodidostannyl)ferrocenyl]- (3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C19.5 H27 Fe I3 N2 O1.5 P Sn -","- C18 H24 Fe I3 N2 O P Sn -","- C72 H96 Fe4 I12 N8 O4 P4 Sn4 -","4","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0391","0.0352","","","0.1006","0.1022","","","","","","0.931","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081544","9.7724","0.0002","15.4943","0.0004","20.6467","0.0006","90","","90","","90","","3126.25","0.14","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-[(RFc)-(2-Monofluoridodiphenylstannyl)ferrocenyl]- (3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C33 H40 F Fe N2 O2 P Sn -","- C30 H34 F Fe N2 O P Sn -","- C120 H136 F4 Fe4 N8 O4 P4 Sn4 -","4","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0287","0.0246","","","0.0525","0.0532","","","","","","0.812","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081545","9.0709","0.0003","33.8535","0.0009","11.5733","0.0003","90","","109.561","0.003","90","","3348.83","0.18","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","(3aR,7aR)-[(RFc)-(2-Triflatodiphenylstannyl)ferrocenyl]- (3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2-benzodiaza-phosphol)-2-oxid","","- C32 H35.5 F3 Fe N2.5 O4 P S Sn -","- C32 H35.5 F3 Fe N2.5 O4 P S Sn -","- C128 H142 F12 Fe4 N10 O16 P4 S4 Sn4 -","4","2","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0424","0.0377","","","0.0945","0.0964","","","","","","0.847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081546","9.3012","0.0003","15.1012","0.0006","32.8178","0.0013","90","","90","","90","","4609.6","0.3","173","2","173","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","(3aR,7aR)-[(RFc)-(2-Diphenyl(triphenylphosphine oxide)stannyl) ferrocenyl]-(3a,4,5,6,7,7a-octahydro-1,3-dimethyl-1,3,2- benzodiaza-phosphol)-2-oxid triflate","","- C49 H49 F3 Fe N2 O5 P2 S Sn -","- C49 H49 F3 Fe N2 O5 P2 S Sn -","- C196 H196 F12 Fe4 N8 O20 P8 S4 Sn4 -","4","1","","Dietz, Christina; Jouikov, Viatcheslav; Jurkschat, Klaus","Diastereoselectiveortho-Metalation of a Chiral Ferrocenylphosphonic Diamide and Its Organotin Derivatives","Organometallics","2013","32","20","5906","","10.1021/om4004797","","","0.71073","MoKα","","0.0487","0.0363","","","0.0674","0.0712","","","","","","0.978","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081547","8.1835","0.0004","24.1385","0.0012","9.9365","0.0006","90","","112.222","0.006","90","","1817.04","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Fe -","- C22 H28 Fe -","- C88 H112 Fe4 -","4","1","","Volbeda, Jeroen; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Half-Open Ferrocenes and Ruthenocenes Containing an Edge-Bridged Open Indenyl Ligand","Organometallics","2013","32","20","5918","","10.1021/om400485a","","","0.71073","MoKα","","0.0504","0.0356","","","0.0783","0.0851","","","","","","1.025","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081548","13.6723","0.0004","8.5436","0.0002","16.0804","0.0004","90","","103.142","0.002","90","","1829.17","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Ru -","- C22 H28 Ru -","- C88 H112 Ru4 -","4","1","","Volbeda, Jeroen; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Half-Open Ferrocenes and Ruthenocenes Containing an Edge-Bridged Open Indenyl Ligand","Organometallics","2013","32","20","5918","","10.1021/om400485a","","","0.71073","MoKα","","0.0287","0.0246","","","0.0565","0.0581","","","","","","1.097","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081549","8.2042","0.0008","10.1965","0.0008","13.3248","0.0012","108.566","0.008","98.077","0.008","108.48","0.008","965.37","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 Fe O -","- C23 H28 Fe O -","- C46 H56 Fe2 O2 -","2","1","","Volbeda, Jeroen; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Half-Open Ferrocenes and Ruthenocenes Containing an Edge-Bridged Open Indenyl Ligand","Organometallics","2013","32","20","5918","","10.1021/om400485a","","","0.71073","MoKα","","0.0755","0.0523","","","0.093","0.1005","","","","","","1.059","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081550","8.1412","0.0002","18.4127","0.0002","13.4624","0.0002","90","","98.8","0.002","90","","1994.28","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 O Ru -","- C23 H28 O Ru -","- C92 H112 O4 Ru4 -","4","1","","Volbeda, Jeroen; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Half-Open Ferrocenes and Ruthenocenes Containing an Edge-Bridged Open Indenyl Ligand","Organometallics","2013","32","20","5918","","10.1021/om400485a","","","1.54184","CuKα","","0.0184","0.0182","","","0.0469","0.047","","","","","","1.06","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081551","8.5368","0.0008","10.486","0.002","15.658","0.003","79.902","0.018","85.608","0.012","66.907","0.014","1269.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 Fe N -","- C31 H37 Fe N -","- C62 H74 Fe2 N2 -","2","1","","Volbeda, Jeroen; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Half-Open Ferrocenes and Ruthenocenes Containing an Edge-Bridged Open Indenyl Ligand","Organometallics","2013","32","20","5918","","10.1021/om400485a","","","0.71073","MoKα","","0.1178","0.0823","","","0.1796","0.1981","","","","","","1.099","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081552","8.49475","0.00018","11.27251","0.00018","14.7874","0.0004","92.387","0.002","103.37","0.002","109.317","0.002","1289.26","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 N Ru -","- C31 H37 N Ru -","- C62 H74 N2 Ru2 -","2","1","","Volbeda, Jeroen; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Half-Open Ferrocenes and Ruthenocenes Containing an Edge-Bridged Open Indenyl Ligand","Organometallics","2013","32","20","5918","","10.1021/om400485a","","","0.71073","MoKα","","0.0244","0.0214","","","0.0527","0.0543","","","","","","1.074","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081553","9.3898","0.0004","10.8359","0.0004","12.1036","0.0004","81.562","0.004","88.986","0.004","83.486","0.004","1210.31","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H35 N Ru -","- C29 H35 N Ru -","- C58 H70 N2 Ru2 -","2","1","","Volbeda, Jeroen; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias","Half-Open Ferrocenes and Ruthenocenes Containing an Edge-Bridged Open Indenyl Ligand","Organometallics","2013","32","20","5918","","10.1021/om400485a","","","0.71073","MoKα","","0.025","0.0218","","","0.0471","0.0482","","","","","","1.061","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081554","12.9473","0.0012","9.84","0.007","20.4773","0.0018","90","0","91.025","0.008","90","0","2608.4","1.9","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Fe N2 -","- C34 H30 Fe N2 -","- C136 H120 Fe4 N8 -","4","1","","Tampier, Stefan; Bleifuss, Sascha M.; Abd-Elzaher, Mokhles M.; Sutter, Jörg; Heinemann, Frank W.; Burzlaff, Nicolai","Bis(pyrazol-1-yl)acetic Acid Bearing Ferrocenyl Substituents","Organometallics","2013","32","20","5935","","10.1021/om400495f","","x-ray","0.71073","MoKα","","0.0707","0.0418","","","0.0895","0.0997","","","","","","1.015","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081555","8.0709","0.0001","11.1448","0.0002","15.1349","0.0003","76.147","0.001","74.759","0.001","81.735","0.001","1270.52","0.04","220","2","220","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C31 H32 Fe2 N4 -","- C31 H32 Fe2 N4 -","- C62 H64 Fe4 N8 -","2","1","","Tampier, Stefan; Bleifuss, Sascha M.; Abd-Elzaher, Mokhles M.; Sutter, Jörg; Heinemann, Frank W.; Burzlaff, Nicolai","Bis(pyrazol-1-yl)acetic Acid Bearing Ferrocenyl Substituents","Organometallics","2013","32","20","5935","","10.1021/om400495f","","x-ray","0.71073","MoKα","","0.056","0.0407","","","0.1063","0.1143","","","","","","1.02","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081556","27.538","0.003","7.5557","0.001","13.5237","0.0015","90","","116.878","0.008","90","","2509.9","0.5","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H30 Fe2 N4 O -","- C31 H30 Fe2 N4 O -","- C124 H120 Fe8 N16 O4 -","4","0.5","","Tampier, Stefan; Bleifuss, Sascha M.; Abd-Elzaher, Mokhles M.; Sutter, Jörg; Heinemann, Frank W.; Burzlaff, Nicolai","Bis(pyrazol-1-yl)acetic Acid Bearing Ferrocenyl Substituents","Organometallics","2013","32","20","5935","","10.1021/om400495f","","x-ray","0.71073","MoKα","","0.0363","0.0277","","","0.0695","0.0735","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081557","13.2993","0.0006","14.4632","0.0006","21.5123","0.001","85.745","0.001","78.137","0.001","68.143","0.001","3758.4","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C69 H70 Cl12 Fe5 N8 O5 -","- C69 H70 Cl12 Fe5 N8 O5 -","- C138 H140 Cl24 Fe10 N16 O10 -","2","1","","Tampier, Stefan; Bleifuss, Sascha M.; Abd-Elzaher, Mokhles M.; Sutter, Jörg; Heinemann, Frank W.; Burzlaff, Nicolai","Bis(pyrazol-1-yl)acetic Acid Bearing Ferrocenyl Substituents","Organometallics","2013","32","20","5935","","10.1021/om400495f","","x-ray","0.71073","MoKα","","0.1134","0.0698","","","0.1955","0.2254","","","","","","1.061","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081558","13.7576","0.0004","10.1798","0.0002","10.6675","0.0002","90","","104.088","0.002","90","","1449.04","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Fe O4 -","- C16 H18 Fe O4 -","- C64 H72 Fe4 O16 -","4","1","","Petrov, Alex R.; Jess, Kristof; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Large-Scale Preparation of 1,1′-Ferrocenedicarboxylic Acid, a Key Compound for the Synthesis of 1,1′-Disubstituted Ferrocene Derivatives","Organometallics","2013","32","20","5946","","10.1021/om4004972","","","0.71073","MoKα","","0.0344","0.0289","","","0.0631","0.0653","","","","","","1.099","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081559","7.8985","0.0007","9.1385","0.0008","10.3167","0.0008","112.101","0.008","91.731","0.007","112.435","0.008","624.46","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Fe N2 O2 -","- C15 H11 Fe N2 O2 -","- C30 H22 Fe2 N4 O4 -","2","1","","Petrov, Alex R.; Jess, Kristof; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Large-Scale Preparation of 1,1′-Ferrocenedicarboxylic Acid, a Key Compound for the Synthesis of 1,1′-Disubstituted Ferrocene Derivatives","Organometallics","2013","32","20","5946","","10.1021/om4004972","","","1.54184","CuKα","","0.0252","0.0249","","","0.0664","0.0667","","","","","","1.105","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081560","11.2801","0.0008","13.1742","0.0008","12.0254","0.001","90","","117.54","0.01","90","","1584.6","0.2","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H20 Fe N2 O5 -","- C15 H20 Fe N2 O5 -","- C60 H80 Fe4 N8 O20 -","4","2","","Petrov, Alex R.; Jess, Kristof; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias","Large-Scale Preparation of 1,1′-Ferrocenedicarboxylic Acid, a Key Compound for the Synthesis of 1,1′-Disubstituted Ferrocene Derivatives","Organometallics","2013","32","20","5946","","10.1021/om4004972","","","1.54184","CuKα","","0.0509","0.0432","","","0.0978","0.1026","","","","","","1.026","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081561","7.2291","0.0004","12.1116","0.0006","13.011","0.0006","89.153","0.004","88.459","0.004","74.221","0.005","1095.83","0.1","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Cl3 Fe N2 O6 -","- C19 H21 Cl3 Fe N2 O6 -","- C38 H42 Cl6 Fe2 N4 O12 -","2","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas Kurt; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Yéche, Nicolas; Klauss, Hans-Henning; Rüffer, Tobias","Redox-Active Ferrocene as a Tuning Functionality for Magnetic Superexchange Interactions of Bis(oxamato) Type Complexes","Organometallics","2013","32","20","5988","","10.1021/om4005115","","","1.54184","CuKα","","0.0426","0.0386","","","0.098","0.0994","","","","","","0.97","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081562","9.8453","0.0003","13.1903","0.0006","18.4934","0.0007","90","","95.619","0.004","90","","2390.06","0.16","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H82 Fe N4 O6 -","- C46 H82 Fe N4 O6 -","- C92 H164 Fe2 N8 O12 -","2","0.5","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas Kurt; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Yéche, Nicolas; Klauss, Hans-Henning; Rüffer, Tobias","Redox-Active Ferrocene as a Tuning Functionality for Magnetic Superexchange Interactions of Bis(oxamato) Type Complexes","Organometallics","2013","32","20","5988","","10.1021/om4005115","","","1.54184","CuKα","","0.1193","0.0944","","","0.2667","0.2841","","","","","","1.026","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081563","12.8128","0.0006","13.9058","0.0006","17.1466","0.0007","66.168","0.004","80.467","0.004","80.16","0.004","2737.6","0.2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H89 Cu Fe N7 O6 -","- C52 H89 Cu Fe N7 O6 -","- C104 H178 Cu2 Fe2 N14 O12 -","2","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas Kurt; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Yéche, Nicolas; Klauss, Hans-Henning; Rüffer, Tobias","Redox-Active Ferrocene as a Tuning Functionality for Magnetic Superexchange Interactions of Bis(oxamato) Type Complexes","Organometallics","2013","32","20","5988","","10.1021/om4005115","","","0.71073","MoKα","","0.0745","0.0397","","","0.0786","0.0828","","","","","","0.851","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081564","13.4043","0.0003","15.4356","0.0004","24.286","0.0006","89.53","0.002","86.915","0.002","88.074","0.002","5014.6","0.2","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C95 H172 Cu2 Fe2 N10 O12 -","- C95 H172 Cu2 Fe2 N10 O12 -","- C190 H344 Cu4 Fe4 N20 O24 -","2","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas Kurt; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Yéche, Nicolas; Klauss, Hans-Henning; Rüffer, Tobias","Redox-Active Ferrocene as a Tuning Functionality for Magnetic Superexchange Interactions of Bis(oxamato) Type Complexes","Organometallics","2013","32","20","5988","","10.1021/om4005115","","","0.71073","MoKα","","0.0562","0.0379","","","0.0933","0.0963","","","","","","0.969","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081565","26.1634","0.0004","13.0428","0.0002","30.4873","0.0004","90","","103.463","0.001","90","","10117.7","0.3","115","","115","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C188 H350 Cu4 Fe4 N20 O29 -","- C188 H350 Cu4 Fe4 N20 O29 -","- C376 H700 Cu8 Fe8 N40 O58 -","2","0.5","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas Kurt; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Yéche, Nicolas; Klauss, Hans-Henning; Rüffer, Tobias","Redox-Active Ferrocene as a Tuning Functionality for Magnetic Superexchange Interactions of Bis(oxamato) Type Complexes","Organometallics","2013","32","20","5988","","10.1021/om4005115","","","0.71073","MoKα","","0.0757","0.0394","","","0.0868","0.0918","","","","","","0.861","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081566","26.3433","0.0006","26.3433","0.0006","35.7749","0.0008","90","","90","","120","","21500.5","0.8","110","","110","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C70 H117 Cu6 Fe2 N23 O24 -","- C70 H117 Cu6 Fe2 N23 O24 -","- C630 H1053 Cu54 Fe18 N207 O216 -","9","0.5","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas Kurt; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Yéche, Nicolas; Klauss, Hans-Henning; Rüffer, Tobias","Redox-Active Ferrocene as a Tuning Functionality for Magnetic Superexchange Interactions of Bis(oxamato) Type Complexes","Organometallics","2013","32","20","5988","","10.1021/om4005115","","","0.71073","MoKα","","0.0874","0.0701","","","0.2081","0.2172","","","","","","1.002","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081567","27.2381","0.001","27.2381","0.001","34.7756","0.0013","90","","90","","120","","22343.9","1.4","115","","115","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32.25 H55 Cu3 Fe N11 O15.23 -","- C32.25 H55 Cu3 Fe N10.9933 O15.23 -","- C580.5 H990 Cu54 Fe18 N197.88 O274.14 -","18","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas Kurt; Krupskaya, Yulia; Kataev, Vladislav; Büchner, Bernd; Hahn, Torsten; Kortus, Jens; Yéche, Nicolas; Klauss, Hans-Henning; Rüffer, Tobias","Redox-Active Ferrocene as a Tuning Functionality for Magnetic Superexchange Interactions of Bis(oxamato) Type Complexes","Organometallics","2013","32","20","5988","","10.1021/om4005115","","","1.54184","CuKα","","0.1236","0.0971","","","0.2641","0.2826","","","","","","1.037","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081568","9.3889","0.0002","11.2996","0.0002","44.7144","0.0008","90","","90","","90","","4743.79","0.16","123","","123","","","","","","","","see text","8","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 B2 F8 Fe2 Mo2 N6 O4 -","- C34 H36 B2 F8 Fe2 Mo2 N6 O4 -","- C136 H144 B8 F32 Fe8 Mo8 N24 O16 -","4","1","","Cai, Xu-Min; Höhne, Dominik; Köberl, Mathias; Cokoja, Mirza; Pöthig, Alexander; Herdtweck, Eberhardt; Haslinger, Stefan; Herrmann, Wolfgang A.; Kühn, Fritz E.","Synthesis and Characterization of Dimolybdenum(II) Complexes Connected by Carboxylate Linkers","Organometallics","2013","32","20","6004","","10.1021/om400518f","","x-ray","0.71073","MoKα","","0.0731","0.0524","","","0.1114","0.1182","","","","","","1.042","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081569","20.6355","0.0003","20.6355","0.0003","13.6658","0.0002","90","","90","","120","","5039.6","0.13","123","1","123","1","","","","","","","","7","P -3","-P 3","147","","","","- C56 H57 B6 F27 Mo6 N16 O12 -","- C56 H56.997 B6.001 F27.006 Mo6 N16 O12 -","- C112 H113.994 B12.002 F54.012 Mo12 N32 O24 -","2","0.333333","","Cai, Xu-Min; Höhne, Dominik; Köberl, Mathias; Cokoja, Mirza; Pöthig, Alexander; Herdtweck, Eberhardt; Haslinger, Stefan; Herrmann, Wolfgang A.; Kühn, Fritz E.","Synthesis and Characterization of Dimolybdenum(II) Complexes Connected by Carboxylate Linkers","Organometallics","2013","32","20","6004","","10.1021/om400518f","","","0.71073","MoKα","","0.045","0.0437","","","0.1199","0.1207","","","","","","1.063","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081570","11.8173","0.0009","11.8863","0.0009","15.3471","0.0017","105.126","0.001","98.308","0.001","116.362","0.001","1778.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H52 Fe N2 Si2 U -","- C36 H52 Fe N2 Si2 U -","- C72 H104 Fe2 N4 Si4 U2 -","2","1","","Duhović, Selma; Oria, Jeremy V.; Odoh, Samuel O.; Schreckenbach, Georg; Batista, Enrique R.; Diaconescu, Paula L.","Investigation of the Electronic Structure of Mono(1,1′-Diamidoferrocene) Uranium(IV) Complexes","Organometallics","2013","32","20","6012","","10.1021/om400521k","","","0.71073","MoKα","","0.0387","0.0289","","","0.0586","0.0617","","","","","","1.015","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081571","9.8812","0.0012","11.9049","0.0015","17.141","0.002","69.958","0.001","75.045","0.001","74.617","0.001","1795","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H44 Fe N2 Si2 U -","- C40 H44 Fe N2 Si2 U -","- C80 H88 Fe2 N4 Si4 U2 -","2","1","","Duhović, Selma; Oria, Jeremy V.; Odoh, Samuel O.; Schreckenbach, Georg; Batista, Enrique R.; Diaconescu, Paula L.","Investigation of the Electronic Structure of Mono(1,1′-Diamidoferrocene) Uranium(IV) Complexes","Organometallics","2013","32","20","6012","","10.1021/om400521k","","","0.71073","MoKα","","0.0209","0.0188","","","0.0459","0.0467","","","","","","1.036","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081572","17.55","0.005","18.129","0.005","18.314","0.005","90","0.005","90","0.005","90","0.005","5827","3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H42 N2 Yb -","- C32 H42 N2 Yb -","- C256 H336 N16 Yb8 -","8","1","","Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Andersen, Richard A.","Influence of the Torsion Angle in 3,3′-Dimethyl-2,2′-bipyridine on the Intermediate Valence of Yb in (C5Me5)2Yb(3,3′-Me2-bipy)","Organometallics","2013","32","19","5305","","10.1021/om400528d","","","0.71069","MoKα","","0.0353","0.0247","","","","0.0574","","","","","","1.078","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081573","9.4957","0.0014","17.024","0.002","17.198","0.003","72.94","0.002","76.451","0.002","87.439","0.002","2583","0.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H74 Cl3.6 I0.4 N2 Yb2 -","- C53 H74 Cl3.605 I0.395 N2 Yb2 -","- C106 H148 Cl7.21 I0.79 N4 Yb4 -","2","1","","Nocton, Grégory; Booth, Corwin H.; Maron, Laurent; Andersen, Richard A.","Influence of the Torsion Angle in 3,3′-Dimethyl-2,2′-bipyridine on the Intermediate Valence of Yb in (C5Me5)2Yb(3,3′-Me2-bipy)","Organometallics","2013","32","19","5305","","10.1021/om400528d","","","0.71073","MoKα","","0.0328","0.028","","","0.0684","0.0706","","","","","","1.047","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081574","7.6788","0.0006","9.2709","0.0007","16.1965","0.0013","87.211","0.002","81.908","0.002","79.096","0.002","1120.64","0.15","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 Fe N2 O4 -","- C28 H18 Fe N2 O4 -","- C56 H36 Fe2 N4 O8 -","2","1","","Vincent, Kevin B.; Zeng, Qiang; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A.K.; Hartl, František; Kaupp, Martin; Low, Paul J.","Syntheses, Spectroelectrochemical Studies, and Molecular and Electronic Structures of Ferrocenyl Ene-diynes","Organometallics","2013","32","20","6022","","10.1021/om400535y","","x-ray","0.71073","MoKα","K-L~3~","0.0633","0.0406","","","0.0905","0.1012","","","","","","1.047","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081575","25.4582","0.0013","11.3257","0.0003","12.0048","0.0005","90","","100.582","0.004","90","","3402.5","0.2","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Br Fe N O2 -","- C20 H14 Br Fe N O2 -","- C160 H112 Br8 Fe8 N8 O16 -","8","1","","Vincent, Kevin B.; Zeng, Qiang; Parthey, Matthias; Yufit, Dmitry S.; Howard, Judith A.K.; Hartl, František; Kaupp, Martin; Low, Paul J.","Syntheses, Spectroelectrochemical Studies, and Molecular and Electronic Structures of Ferrocenyl Ene-diynes","Organometallics","2013","32","20","6022","","10.1021/om400535y","","","0.7107","MoKα","","0.0684","0.0454","","","0.0979","0.1076","","","","","","1.077","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081576","14.1265","0.0003","9.1841","0.0002","24.2253","0.0005","90","","91.143","0.002","90","","3142.35","0.12","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C37 H52 Fe2 -","- C37 H52 Fe2 -","- C148 H208 Fe8 -","4","1","","Malberg, Jennifer; Lupton, Elizabeth; Schnöckelborg, Eva-Maria; de Bruin, Bas; Sutter, Jörg; Meyer, Karsten; Hartl, František; Wolf, Robert","Synthesis and Electronic Structure of Dissymmetrical, Naphthalene-Bridged Sandwich Complexes [Cp′Fe(μ-C10H8)MCp*]x(x= 0, +1; M = Fe, Ru; Cp′ = η5-C5H2-1,2,4-tBu3; Cp* = η5-C5Me5)","Organometallics","2013","32","20","6040","","10.1021/om4005862","","","1.54178","CuKα","","0.0605","0.0553","","","0.1663","0.1739","","","","","","1.126","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081577","9.2059","0.0011","24.692","0.003","13.9429","0.0016","90","","89.984","0.002","90","","3169.4","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H52 Fe Ru -","- C37 H52 Fe Ru -","- C148 H208 Fe4 Ru4 -","4","1","","Malberg, Jennifer; Lupton, Elizabeth; Schnöckelborg, Eva-Maria; de Bruin, Bas; Sutter, Jörg; Meyer, Karsten; Hartl, František; Wolf, Robert","Synthesis and Electronic Structure of Dissymmetrical, Naphthalene-Bridged Sandwich Complexes [Cp′Fe(μ-C10H8)MCp*]x(x= 0, +1; M = Fe, Ru; Cp′ = η5-C5H2-1,2,4-tBu3; Cp* = η5-C5Me5)","Organometallics","2013","32","20","6040","","10.1021/om4005862","","","0.71073","MoKα","","0.0518","0.0404","","","0.0916","0.0967","","","","","","1.024","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081578","16.2256","0.0002","17.4125","0.0002","25.6091","0.0002","90","","90","","90","","7235.29","0.13","123.01","0.1","123.01","0.1","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","","","","- C37 H52 F6 Fe P Ru -","- C37 H52 F6 Fe P Ru -","- C296 H416 F48 Fe8 P8 Ru8 -","8","1","","Malberg, Jennifer; Lupton, Elizabeth; Schnöckelborg, Eva-Maria; de Bruin, Bas; Sutter, Jörg; Meyer, Karsten; Hartl, František; Wolf, Robert","Synthesis and Electronic Structure of Dissymmetrical, Naphthalene-Bridged Sandwich Complexes [Cp′Fe(μ-C10H8)MCp*]x(x= 0, +1; M = Fe, Ru; Cp′ = η5-C5H2-1,2,4-tBu3; Cp* = η5-C5Me5)","Organometallics","2013","32","20","6040","","10.1021/om4005862","","x-ray","1.54184","CuKα","","0.0463","0.037","","","0.0827","0.0884","","","","","","1.062","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081579","8.0972","0.0005","15.1917","0.0009","20.7875","0.0012","90","","90","","90","","2557.1","0.3","153","2","153","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 Fe Ru -","- C30 H38 Fe Ru -","- C120 H152 Fe4 Ru4 -","4","1","","Malberg, Jennifer; Lupton, Elizabeth; Schnöckelborg, Eva-Maria; de Bruin, Bas; Sutter, Jörg; Meyer, Karsten; Hartl, František; Wolf, Robert","Synthesis and Electronic Structure of Dissymmetrical, Naphthalene-Bridged Sandwich Complexes [Cp′Fe(μ-C10H8)MCp*]x(x= 0, +1; M = Fe, Ru; Cp′ = η5-C5H2-1,2,4-tBu3; Cp* = η5-C5Me5)","Organometallics","2013","32","20","6040","","10.1021/om4005862","","","0.71073","MoKα","","0.0335","0.0302","","","0.0725","0.0741","","","","","","1.053","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081580","11.5036","0.0005","17.2131","0.0007","25.2944","0.001","90","","97.631","0.001","90","","4964.3","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H41 Au2 Cl11 Fe N O P2 -","- C42 H41 Au2 Cl11 Fe N O P2 -","- C168 H164 Au8 Cl44 Fe4 N4 O4 P8 -","4","1","","Goitia, Helen; Nieto, Yolanda; Villacampa, M. Dolores; Kasper, Cornelia; Laguna, Antonio; Gimeno, M. Concepción","Antitumoral Gold and Silver Complexes with Ferrocenyl-Amide Phosphines","Organometallics","2013","32","20","6069","","10.1021/om400633z","","","0.71073","MoKα","","0.0597","0.0496","","","0.1182","0.1212","","","","","","1.09","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4081581","18.551","0.018","19.415","0.014","21.83","0.02","90","","90","","90","","7862","12","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C128 H154 Au4 Cl8 Fe2 O43 P4 S4 -","- C128 H140 Au4 Cl8 Fe2 O43 P4 S4 -","- C256 H280 Au8 Cl16 Fe4 O86 P8 S8 -","2","0.5","","Goitia, Helen; Nieto, Yolanda; Villacampa, M. Dolores; Kasper, Cornelia; Laguna, Antonio; Gimeno, M. Concepción","Antitumoral Gold and Silver Complexes with Ferrocenyl-Amide Phosphines","Organometallics","2013","32","20","6069","","10.1021/om400633z","","","0.71073","MoKα","","0.0934","0.0605","","","0.1539","0.1756","","","","","","1.051","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081582","10.9195","0.0003","12.807","0.0003","21.7839","0.0007","90","","103.73","0.003","90","","2959.34","0.15","291","2","291.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 O10 P2 S2 W2 -","- C18 H8 O10 P2 S2 W2 -","- C72 H32 O40 P8 S8 W8 -","4","1","","Tian, Rongqiang; Mei, Yanbo; Duan, Zheng; Mathey, François","Simple Access to Tungsten-Stabilized Disecondary Diphosphines","Organometallics","2013","32","19","5615","","10.1021/om400637j","","","0.7107","MoKα","","0.0532","0.0348","","","0.0742","0.0793","","","","","","1.039","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081583","9.0784","0.0011","10.299","0.0013","16.9775","0.0016","80.461","0.009","89.905","0.009","67.404","0.012","1441.9","0.3","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H16 O10 P2 W2 -","- C25 H16 O10 P2 W2 -","- C50 H32 O20 P4 W4 -","2","1","","Tian, Rongqiang; Mei, Yanbo; Duan, Zheng; Mathey, François","Simple Access to Tungsten-Stabilized Disecondary Diphosphines","Organometallics","2013","32","19","5615","","10.1021/om400637j","","","0.7107","MoKα","","0.0467","0.0311","","","0.0581","0.0644","","","","","","1.041","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081584","12.264","0.003","13.149","0.003","16.281","0.003","108.16","0.03","93.59","0.03","102.94","0.03","2406.4","1.1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H44 Cl2 F Fe O3 P3 Pt -","- C55 H44 Cl2 F Fe O3 P3 Pt -","- C110 H88 Cl4 F2 Fe2 O6 P6 Pt2 -","2","1","","Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten; Unkelbach, Christian; Rojo, Saúl; Gómez-Iglesias, Patricia; Villafañe, Fernando","Reactivity of Silyl-Substituted Iron‒Platinum Hydride Complexes toward Unsaturated Molecules: 4. Insertion of Fluorinated Aromatic Alkynes into the Platinum‒Hydride Bond. Synthesis and Reactivity of Heterobimetallic Dimetallacylopentenone, Dimetallacyclobutene, μ-Vinylidene, and μ2-σ-Alkenyl Complexes","Organometallics","2013","32","19","5343","","10.1021/om4006438","","","0.71073","MoKα","","0.0722","0.0597","","","0.152","0.1609","","","","","","1.005","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081585","12.2032","0.0003","13.0292","0.0003","16.1156","0.0004","107.567","0.002","94.03","0.002","103.667","0.002","2345.79","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H48 F2 Fe O3 P3 Pt -","- C57 H48 F2 Fe O3 P3 Pt -","- C114 H96 F4 Fe2 O6 P6 Pt2 -","2","1","","Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten; Unkelbach, Christian; Rojo, Saúl; Gómez-Iglesias, Patricia; Villafañe, Fernando","Reactivity of Silyl-Substituted Iron‒Platinum Hydride Complexes toward Unsaturated Molecules: 4. Insertion of Fluorinated Aromatic Alkynes into the Platinum‒Hydride Bond. Synthesis and Reactivity of Heterobimetallic Dimetallacylopentenone, Dimetallacyclobutene, μ-Vinylidene, and μ2-σ-Alkenyl Complexes","Organometallics","2013","32","19","5343","","10.1021/om4006438","","","0.71073","MoKα","","0.0329","0.0248","","","0.046","0.0466","","","","","","1.05","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081586","14.876","0.0004","17.1537","0.0005","18.3659","0.0006","90","","94.07","0.002","90","","4674.8","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H42 F3 Fe O3 P3 Pt -","- C55 H42 F3 Fe O3 P3 Pt -","- C220 H168 F12 Fe4 O12 P12 Pt4 -","4","1","","Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten; Unkelbach, Christian; Rojo, Saúl; Gómez-Iglesias, Patricia; Villafañe, Fernando","Reactivity of Silyl-Substituted Iron‒Platinum Hydride Complexes toward Unsaturated Molecules: 4. Insertion of Fluorinated Aromatic Alkynes into the Platinum‒Hydride Bond. Synthesis and Reactivity of Heterobimetallic Dimetallacylopentenone, Dimetallacyclobutene, μ-Vinylidene, and μ2-σ-Alkenyl Complexes","Organometallics","2013","32","19","5343","","10.1021/om4006438","","","0.71073","MoKα","","0.0343","0.025","","","0.0525","0.0561","","","","","","1.011","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081587","11.828","0.002","13.621","0.002","18.314","0.006","74.6","0.03","77.45","0.03","77.859","0.019","2739.9","1.2","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H50 F Fe O3 P3 Pt -","- C61 H50 F Fe O3 P3 Pt -","- C122 H100 F2 Fe2 O6 P6 Pt2 -","2","1","","Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten; Unkelbach, Christian; Rojo, Saúl; Gómez-Iglesias, Patricia; Villafañe, Fernando","Reactivity of Silyl-Substituted Iron‒Platinum Hydride Complexes toward Unsaturated Molecules: 4. Insertion of Fluorinated Aromatic Alkynes into the Platinum‒Hydride Bond. Synthesis and Reactivity of Heterobimetallic Dimetallacylopentenone, Dimetallacyclobutene, μ-Vinylidene, and μ2-σ-Alkenyl Complexes","Organometallics","2013","32","19","5343","","10.1021/om4006438","","","0.71073","MoKα","","0.0727","0.0596","","","0.1437","0.1495","","","","","","1.018","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081588","11.819","0.002","13.675","0.003","18.023","0.004","75.26","0.03","77.51","0.03","76.95","0.03","2705.1","1.1","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H50 F Fe O3 P3 Pt -","- C61 H50 F Fe O3 P3 Pt -","- C122 H100 F2 Fe2 O6 P6 Pt2 -","2","1","","Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten; Unkelbach, Christian; Rojo, Saúl; Gómez-Iglesias, Patricia; Villafañe, Fernando","Reactivity of Silyl-Substituted Iron‒Platinum Hydride Complexes toward Unsaturated Molecules: 4. Insertion of Fluorinated Aromatic Alkynes into the Platinum‒Hydride Bond. Synthesis and Reactivity of Heterobimetallic Dimetallacylopentenone, Dimetallacyclobutene, μ-Vinylidene, and μ2-σ-Alkenyl Complexes","Organometallics","2013","32","19","5343","","10.1021/om4006438","","","0.71073","MoKα","","0.0715","0.0648","","","0.1586","0.1669","","","","","","1.017","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081589","11.74473","0.00016","13.5156","0.0002","18.1043","0.0003","74.7363","0.0013","76.9679","0.0013","77.3952","0.0012","2662.18","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H49 F2 Fe O3 P3 Pt -","- C61 H49 F2 Fe O3 P3 Pt -","- C122 H98 F4 Fe2 O6 P6 Pt2 -","2","1","","Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten; Unkelbach, Christian; Rojo, Saúl; Gómez-Iglesias, Patricia; Villafañe, Fernando","Reactivity of Silyl-Substituted Iron‒Platinum Hydride Complexes toward Unsaturated Molecules: 4. Insertion of Fluorinated Aromatic Alkynes into the Platinum‒Hydride Bond. Synthesis and Reactivity of Heterobimetallic Dimetallacylopentenone, Dimetallacyclobutene, μ-Vinylidene, and μ2-σ-Alkenyl Complexes","Organometallics","2013","32","19","5343","","10.1021/om4006438","","","0.71073","MoKα","","0.036","0.0296","","","0.0766","0.0781","","","","","","1.008","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081590","11.6083","0.0003","14.4747","0.0003","14.638","0.0003","105.725","0.002","97.991","0.002","97.455","0.002","2308.09","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H42 F3 Fe O3 P3 Pt -","- C55 H42 F3 Fe O3 P3 Pt -","- C110 H84 F6 Fe2 O6 P6 Pt2 -","2","1","","Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten; Unkelbach, Christian; Rojo, Saúl; Gómez-Iglesias, Patricia; Villafañe, Fernando","Reactivity of Silyl-Substituted Iron‒Platinum Hydride Complexes toward Unsaturated Molecules: 4. Insertion of Fluorinated Aromatic Alkynes into the Platinum‒Hydride Bond. Synthesis and Reactivity of Heterobimetallic Dimetallacylopentenone, Dimetallacyclobutene, μ-Vinylidene, and μ2-σ-Alkenyl Complexes","Organometallics","2013","32","19","5343","","10.1021/om4006438","","","0.71073","MoKα","","0.0347","0.0255","","","0.0435","0.0441","","","","","","1.019","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081591","11.93876","0.00018","37.9801","0.0006","12.30068","0.00017","90","","99.6327","0.0014","90","","5498.92","0.14","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H58 F3 Fe O3 P3 Pt -","- C62 H58 F3 Fe O3 P3 Pt -","- C248 H232 F12 Fe4 O12 P12 Pt4 -","4","1","","Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten; Unkelbach, Christian; Rojo, Saúl; Gómez-Iglesias, Patricia; Villafañe, Fernando","Reactivity of Silyl-Substituted Iron‒Platinum Hydride Complexes toward Unsaturated Molecules: 4. Insertion of Fluorinated Aromatic Alkynes into the Platinum‒Hydride Bond. Synthesis and Reactivity of Heterobimetallic Dimetallacylopentenone, Dimetallacyclobutene, μ-Vinylidene, and μ2-σ-Alkenyl Complexes","Organometallics","2013","32","19","5343","","10.1021/om4006438","","","0.71073","MoKα","","0.0496","0.0375","","","0.083","0.0868","","","","","","1.021","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081592","11.6738","0.0006","13.0468","0.0006","19.1687","0.0009","104.224","0.004","94.549","0.004","108.564","0.005","2643","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H43 B F7 Fe O3 P3 Pt -","- C55 H43 B F7 Fe O3 P3 Pt -","- C110 H86 B2 F14 Fe2 O6 P6 Pt2 -","2","1","","Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten; Unkelbach, Christian; Rojo, Saúl; Gómez-Iglesias, Patricia; Villafañe, Fernando","Reactivity of Silyl-Substituted Iron‒Platinum Hydride Complexes toward Unsaturated Molecules: 4. Insertion of Fluorinated Aromatic Alkynes into the Platinum‒Hydride Bond. Synthesis and Reactivity of Heterobimetallic Dimetallacylopentenone, Dimetallacyclobutene, μ-Vinylidene, and μ2-σ-Alkenyl Complexes","Organometallics","2013","32","19","5343","","10.1021/om4006438","","","0.71073","MoKα","","0.064","0.0413","","","0.0694","0.0713","","","","","","1.058","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081593","15.3029","0.0003","15.1981","0.0004","21.0121","0.0006","90","","90.395","0.002","90","","4886.8","0.2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 B F4 Fe O3 P3 Pt -","- C54 H44 B F4 Fe O3 P3 Pt -","- C216 H176 B4 F16 Fe4 O12 P12 Pt4 -","4","1","","Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten; Unkelbach, Christian; Rojo, Saúl; Gómez-Iglesias, Patricia; Villafañe, Fernando","Reactivity of Silyl-Substituted Iron‒Platinum Hydride Complexes toward Unsaturated Molecules: 4. Insertion of Fluorinated Aromatic Alkynes into the Platinum‒Hydride Bond. Synthesis and Reactivity of Heterobimetallic Dimetallacylopentenone, Dimetallacyclobutene, μ-Vinylidene, and μ2-σ-Alkenyl Complexes","Organometallics","2013","32","19","5343","","10.1021/om4006438","","","0.71073","MoKα","","0.0457","0.0295","","","0.062","0.068","","","","","","1.042","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081594","20.3646","0.0004","19.0445","0.0004","27.7836","0.0006","90","","90","","90","","10775.4","0.4","173","2","173","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C55 H43 B F7 Fe O3 P3 Pt -","- C55 H43 B F7 Fe O3 P3 Pt -","- C440 H344 B8 F56 Fe8 O24 P24 Pt8 -","8","2","","Jourdain, Isabelle; Knorr, Michael; Strohmann, Carsten; Unkelbach, Christian; Rojo, Saúl; Gómez-Iglesias, Patricia; Villafañe, Fernando","Reactivity of Silyl-Substituted Iron‒Platinum Hydride Complexes toward Unsaturated Molecules: 4. Insertion of Fluorinated Aromatic Alkynes into the Platinum‒Hydride Bond. Synthesis and Reactivity of Heterobimetallic Dimetallacylopentenone, Dimetallacyclobutene, μ-Vinylidene, and μ2-σ-Alkenyl Complexes","Organometallics","2013","32","19","5343","","10.1021/om4006438","","","0.71073","MoKα","","0.0616","0.0403","","","0.0958","0.0979","","","","","","1.081","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081595","9.745","0.0002","11.332","0.0003","19.828","0.0005","78.493","0.001","80.071","0.001","76.393","0.001","2067.2","0.09","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H47 As I2 N2 P2 Si2 -","- C38 H47 As I2 N2 P2 Si2 -","- C76 H94 As2 I4 N4 P4 Si4 -","2","1","","Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio","CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides","Organometallics","2013","32","19","5360","","10.1021/om400649c","","","0.71073","MoKα","","0.052","0.0428","","","0.0845","0.0894","","","","","","1.09","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081596","17.537","0.0003","13.329","0.0003","16.31","0.0005","90","0.0013","102.558","0.0016","90","0.0017","3721.27","0.16","123","2","123","2","","","","","","","","10","C 1 c 1","C -2yc","9","","","","- C29 H33 As Cl2 F6 I N2 P2 Sb Si -","- C29 H33 As Cl2 F6 I N2 P2 Sb Si -","- C116 H132 As4 Cl8 F24 I4 N8 P8 Sb4 Si4 -","4","1","","Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio","CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides","Organometallics","2013","32","19","5360","","10.1021/om400649c","","","0.71073","MoKα","","0.04","0.0368","","","0.0797","0.0819","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081597","25.502","0.0003","12.922","0.0004","26.556","0.0007","90","0.0011","115.123","0.001","90","0.0011","7923.3","0.3","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H86 I4 N4 P4 Sb2 Si4 -","- C69 H86 I4 N4 P4 Sb2 Si4 -","- C276 H344 I16 N16 P16 Sb8 Si16 -","4","0.5","","Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio","CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides","Organometallics","2013","32","19","5360","","10.1021/om400649c","","","0.71073","MoKα","","0.0644","0.0482","","","0.0851","0.0935","","","","","","1.171","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081598","21.279","0.005","13.571","0.005","29.601","0.005","90","0.005","101.169","0.005","90","0.005","8386","4","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35 H44 Cl2 I2 N2 P2 Sb Si2 -","- C35 H36 Cl2 I2 N2 P2 Sb Si2 -","- C280 H288 Cl16 I16 N16 P16 Sb8 Si16 -","8","1","","Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio","CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides","Organometallics","2013","32","19","5360","","10.1021/om400649c","","","0.71073","MoKα","","0.0432","0.0391","","","0.085","0.0875","","","","","","1.162","","","","has coordinates,has disorder","178704","2020-10-21","18:00:00",""
"4081599","17.736","0.0004","19.175","0.0005","23.708","0.0004","90","","90","","90","","8062.8","0.3","173","2","173","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C63 H80 Cl2 F12 I2 N4 P4 Sb4 Si4 -","- C63 H78 Cl2 F12 I2 N4 P4 Sb4 Si4 -","- C252 H312 Cl8 F48 I8 N16 P16 Sb16 Si16 -","4","0.5","","Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio","CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides","Organometallics","2013","32","19","5360","","10.1021/om400649c","","","0.71073","MoKα","","0.0963","0.0679","","","0.1111","0.1235","","","","","","1.173","","","","has coordinates","178704","2020-10-21","18:00:00",""
"4081600","10.805","0.0002","13.055","0.0002","19.446","0.0004","80.973","0.0009","76.625","0.0009","71.99","0.001","2527.05","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H54 I3 N2 P2 Si2 Te -","- C46 H54 I3 N2 P2 Si2 Te -","- C92 H108 I6 N4 P4 Si4 Te2 -","2","1","","Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio","CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides","Organometallics","2013","32","19","5360","","10.1021/om400649c","","","0.71073","MoKα","","0.0496","0.0398","","","0.0756","0.0813","","","","","","1.108","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081601","36.432","0.0002","12.856","0.0004","21.529","0.0003","90","","122.56","0.001","90","","8498.7","0.3","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 Bi I2 N2 P2 Si2 -","- C38 H39 Bi I2 N2 P2 Si2 -","- C304 H312 Bi8 I16 N16 P16 Si16 -","8","1","","Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio","CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides","Organometallics","2013","32","19","5360","","10.1021/om400649c","","","0.71073","MoKα","","0.056","0.0404","","","0.0798","0.087","","","","","","1.103","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081602","11.028","0.0004","13.92","0.0005","24.614","0.001","90","0.0015","97.345","0.0013","90","0.0014","3747.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H41 F6 N2 P2 Sb Si2 -","- C31 H41 F6 N2 P2 Sb Si2 -","- C124 H164 F24 N8 P8 Sb4 Si8 -","4","1","","Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio","CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides","Organometallics","2013","32","19","5360","","10.1021/om400649c","","","0.71073","MoKα","","0.1089","0.0843","","","0.1501","0.1619","","","","","","1.139","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081603","10.38","0.005","12.247","0.005","16.205","0.005","91.9","0.005","101.227","0.005","104.26","0.005","1951.2","1.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H41 I3 N2 P2 Si2 Te -","- C31 H41 I3 N2 P2 Si2 Te -","- C62 H82 I6 N4 P4 Si4 Te2 -","2","1","","Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio","CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides","Organometallics","2013","32","19","5360","","10.1021/om400649c","","","0.71069","MoKα","","0.0526","0.0426","","","0.0801","0.0858","","","","","","1.102","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081604","8.5417","0.0002","17.8892","0.0003","27.2391","0.0019","90","","90","","90","","4162.2","0.3","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H41 Cl9 Ir2 N4 -","- C35 H41 Cl9 Ir2 N4 -","- C140 H164 Cl36 Ir8 N16 -","4","1","","Graeupner, Jonathan; Hintermair, Ulrich; Huang, Daria L.; Thomsen, Julianne M.; Takase, Mike; Campos, Jesús; Hashmi, Sara M.; Elimelech, Menachem; Brudvig, Gary W.; Crabtree, Robert H.","Probing the Viability of Oxo-Coupling Pathways in Iridium-Catalyzed Oxygen Evolution","Organometallics","2013","32","19","5384","","10.1021/om400658a","","","0.71073","MoKα","","0.0192","0.0179","","","0.0401","0.0405","","","","","","1.005","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081605","13.737","0.001","27.7855","0.0006","8.8023","0.0002","90","","91.452","0.006","90","","3358.7","0.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 Cl4 Ir2 N4 -","- C31 H46 Cl4 Ir2 N4 -","- C124 H184 Cl16 Ir8 N16 -","4","1","","Graeupner, Jonathan; Hintermair, Ulrich; Huang, Daria L.; Thomsen, Julianne M.; Takase, Mike; Campos, Jesús; Hashmi, Sara M.; Elimelech, Menachem; Brudvig, Gary W.; Crabtree, Robert H.","Probing the Viability of Oxo-Coupling Pathways in Iridium-Catalyzed Oxygen Evolution","Organometallics","2013","32","19","5384","","10.1021/om400658a","","","0.71075","MoKα","","0.0537","0.0444","","","0.0856","0.0891","","","","","","1.062","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081606","11.7642","0.0002","14.7736","0.0002","19.4188","0.0003","90","","90","","90","","3374.98","0.09","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Cl2 I2 O P2 W -","- C34 H32 Cl2 I2 O P2 W -","- C136 H128 Cl8 I8 O4 P8 W4 -","4","1","","Chacko, Aneesh; Idem, Ubong R.; Bains, Chatin H.; Mihichuk, Lynn M.; East, Allan L. L.","Bite Angle Effects of κ2P-dppm vs κ2P-dppe in Seven-Coordinate Complexes: A DFT Case Study","Organometallics","2013","32","19","5374","","10.1021/om400667t","","","0.71073","MoKα","","0.065","0.0408","","","0.0634","0.0707","","","","","","1.07","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081607","12.546","0.005","31.356","0.013","20.621","0.009","90","","91.54","0.008","90","","8109","6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H70 Ag2 Au2 Cl4 O8 P6 -","- C81 H70 Ag2 Au2 Cl4 O8 P6 -","- C324 H280 Ag8 Au8 Cl16 O32 P24 -","4","1","","Xu, Liang-Jin; Wang, Jin-Yun; Zhang, Li-Yi; Shi, Lin-Xi; Chen, Zhong-Ning","Structures and Phosphorescence Properties of Triphosphine-Supported Au2Ag2and Au8Ag4Alkynyl Cluster Complexes","Organometallics","2013","32","19","5402","","10.1021/om400685y","","","0.71073","MoKα","","0.1051","0.0658","","","0.1416","0.1645","","","","","","0.981","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081608","15.89","0.002","16.609","0.002","17.78","0.003","63.603","0.006","77.655","0.009","65.354","0.007","3818","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C73.5 H57 Ag2 Au4 Cl4 O4 P3 -","- C72 H54 Ag2 Au4 Cl O4 P3 -","- C144 H108 Ag4 Au8 Cl2 O8 P6 -","2","1","","Xu, Liang-Jin; Wang, Jin-Yun; Zhang, Li-Yi; Shi, Lin-Xi; Chen, Zhong-Ning","Structures and Phosphorescence Properties of Triphosphine-Supported Au2Ag2and Au8Ag4Alkynyl Cluster Complexes","Organometallics","2013","32","19","5402","","10.1021/om400685y","","","0.71073","MoKα","","0.0704","0.0545","","","0.1337","0.1417","","","","","","0.96","","","","has coordinates","264242","2021-04-16","08:51:14",""
"4081609","10.512","0.005","12.113","0.006","17.836","0.009","105.404","0.008","90.678","0.008","114.511","0.007","1972.8","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H54 B N7 O Y -","- C38 H54 B N7 O Y -","- C76 H108 B2 N14 O2 Y2 -","2","1","","Yi, Weiyin; Huang, Shujian; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Primary Amido Complexes toward Carbodiimides. Insertion Selectivity of Y‒NHAr and Y‒CH2Ph Bonds","Organometallics","2013","32","19","5409","","10.1021/om400698j","","","0.71073","MoKα","","0.1519","0.0768","","","0.1718","0.2007","","","","","","0.918","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081610","10.117","0.003","17.313","0.005","22.763","0.007","90","","101.302","0.004","90","","3910","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H57 B N9 O2 Y -","- C36 H57 B N9 O2 Y -","- C144 H228 B4 N36 O8 Y4 -","4","1","","Yi, Weiyin; Huang, Shujian; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Primary Amido Complexes toward Carbodiimides. Insertion Selectivity of Y‒NHAr and Y‒CH2Ph Bonds","Organometallics","2013","32","19","5409","","10.1021/om400698j","","","0.71073","MoKα","","0.114","0.0538","","","0.1036","0.1227","","","","","","1.003","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081611","20.03","0.02","12.335","0.015","23.16","0.03","90","","101.79","0.019","90","","5601","11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H69 B N9 Y -","- C53 H69 B N9 Y -","- C212 H276 B4 N36 Y4 -","4","1","","Yi, Weiyin; Huang, Shujian; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Primary Amido Complexes toward Carbodiimides. Insertion Selectivity of Y‒NHAr and Y‒CH2Ph Bonds","Organometallics","2013","32","19","5409","","10.1021/om400698j","","","0.71073","MoKα","","0.136","0.073","","","0.1514","0.1684","","","","","","1.004","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081612","10.849","0.005","15.697","0.007","15.965","0.007","72.454","0.005","87.326","0.006","86.787","0.006","2587","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H61 B N9 O Y -","- C38 H61 B N9 O Y -","- C76 H122 B2 N18 O2 Y2 -","2","1","","Yi, Weiyin; Huang, Shujian; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Primary Amido Complexes toward Carbodiimides. Insertion Selectivity of Y‒NHAr and Y‒CH2Ph Bonds","Organometallics","2013","32","19","5409","","10.1021/om400698j","","","0.71073","MoKα","","0.0912","0.0599","","","0.1359","0.144","","","","","","0.908","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081613","12.946","0.005","21.045","0.008","15.816","0.006","90","","98.384","0.005","90","","4263","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H61 B N9 Y -","- C41 H61 B N9 Y -","- C164 H244 B4 N36 Y4 -","4","1","","Yi, Weiyin; Huang, Shujian; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Scorpionate-Anchored Yttrium Alkyl Primary Amido Complexes toward Carbodiimides. Insertion Selectivity of Y‒NHAr and Y‒CH2Ph Bonds","Organometallics","2013","32","19","5409","","10.1021/om400698j","","","0.71073","MoKα","","0.1081","0.054","","","0.1106","0.1298","","","","","","0.907","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081614","17.7392","0.0017","11.0211","0.001","17.5989","0.0017","90","","95.051","0.002","90","","3427.3","0.6","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H26 Al F N2 O2 -","- C35 H26 Al F N2 O2 -","- C140 H104 Al4 F4 N8 O8 -","4","1","","Gao, Bo; Duan, Ranlong; Pang, Xuan; Li, Xiang; Qu, Zhi; Tang, Zhaohui; Zhuang, Xiuli; Chen, Xuesi","Stereoselective Ring-Opening Polymerization ofrac-Lactides Catalyzed by Aluminum Hemi-Salen Complexes","Organometallics","2013","32","19","5435","","10.1021/om400714q","","","0.71073","MoKα","","0.1128","0.0667","","","0.1208","0.1347","","","","","","1.01","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081615","24.3691","0.0016","19.5225","0.0013","17.5837","0.0011","90","","126.093","0.001","90","","6759.7","0.8","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H33 Al Cl2 N2 O3 -","- C39 H33 Al Cl2 N2 O3 -","- C312 H264 Al8 Cl16 N16 O24 -","8","1","","Gao, Bo; Duan, Ranlong; Pang, Xuan; Li, Xiang; Qu, Zhi; Tang, Zhaohui; Zhuang, Xiuli; Chen, Xuesi","Stereoselective Ring-Opening Polymerization ofrac-Lactides Catalyzed by Aluminum Hemi-Salen Complexes","Organometallics","2013","32","19","5435","","10.1021/om400714q","","","0.71073","MoKα","","0.0846","0.0588","","","0.1539","0.1742","","","","","","1.021","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081616","23.4053","0.0008","23.4053","0.0008","5.8962","0.0004","90","","90","","90","","3230","0.3","183","2","183","2","","","","","","","","5","I -4","I -4","82","","","","- C19 H19 Fe N S -","- C19 H19 Fe N S -","- C152 H152 Fe8 N8 S8 -","8","1","","Patra, Malay; Hess, Jeannine; Konatschnig, Sandro; Spingler, Bernhard; Gasser, Gilles","Synthesis of Ferrocenyl and Ruthenocenyl Thioamide Derivatives Using a Single-Step Three-Component Reaction","Organometallics","2013","32","20","6098","","10.1021/om400715m","","","0.7107","MoKα","","0.0403","0.0351","","","0.0727","0.075","","","","","","1.033","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081617","14.0176","0.001","5.8275","0.0003","22.0395","0.0013","90","","106.018","0.006","90","","1730.45","0.19","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Fe N O S -","- C20 H21 Fe N O S -","- C80 H84 Fe4 N4 O4 S4 -","4","1","","Patra, Malay; Hess, Jeannine; Konatschnig, Sandro; Spingler, Bernhard; Gasser, Gilles","Synthesis of Ferrocenyl and Ruthenocenyl Thioamide Derivatives Using a Single-Step Three-Component Reaction","Organometallics","2013","32","20","6098","","10.1021/om400715m","","","0.7107","MoKα","","0.0583","0.0438","","","0.0968","0.1058","","","","","","1.025","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081618","19.18773","0.00017","9.3143","0.00009","9.21247","0.00008","90","","94.5062","0.0008","90","","1641.37","0.03","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Fe N2 S -","- C19 H20 Fe N2 S -","- C76 H80 Fe4 N8 S4 -","4","1","","Patra, Malay; Hess, Jeannine; Konatschnig, Sandro; Spingler, Bernhard; Gasser, Gilles","Synthesis of Ferrocenyl and Ruthenocenyl Thioamide Derivatives Using a Single-Step Three-Component Reaction","Organometallics","2013","32","20","6098","","10.1021/om400715m","","","1.54184","CuKα","","0.0297","0.0267","","","0.0671","0.0691","","","","","","1.029","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081619","9.6794","0.0004","7.9826","0.0003","17.2942","0.0008","90","","95.487","0.004","90","","1330.14","0.1","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Fe N O S -","- C15 H17 Fe N O S -","- C60 H68 Fe4 N4 O4 S4 -","4","1","","Patra, Malay; Hess, Jeannine; Konatschnig, Sandro; Spingler, Bernhard; Gasser, Gilles","Synthesis of Ferrocenyl and Ruthenocenyl Thioamide Derivatives Using a Single-Step Three-Component Reaction","Organometallics","2013","32","20","6098","","10.1021/om400715m","","","0.7107","MoKα","","0.0429","0.0332","","","0.0759","0.0818","","","","","","1.023","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081620","13.1758","0.0002","13.5806","0.0003","8.7585","0.0002","90","","90","","90","","1567.2","0.06","183","2","183","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H17 Fe N O S -","- C18 H17 Fe N O S -","- C72 H68 Fe4 N4 O4 S4 -","4","1","","Patra, Malay; Hess, Jeannine; Konatschnig, Sandro; Spingler, Bernhard; Gasser, Gilles","Synthesis of Ferrocenyl and Ruthenocenyl Thioamide Derivatives Using a Single-Step Three-Component Reaction","Organometallics","2013","32","20","6098","","10.1021/om400715m","","","1.54184","CuKα","","0.0306","0.0285","","","0.0724","0.0746","","","","","","1.046","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081621","8.6909","0.0002","12.9149","0.0003","17.6256","0.0004","91.365","0.001","96.437","0.001","107.075","0.001","1875.85","0.08","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","complex_3_methyl","","","- C37 H66 Si2 U -","- C37 H66 Si2 U -","- C74 H132 Si4 U2 -","2","1","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.031","0.0243","","","0.0639","0.0773","","","","","","1.219","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081622","12.9743","0.0002","17.3522","0.0003","20.0913","0.0004","82.567","0.001","75.325","0.001","69.361","0.001","4090.81","0.13","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","complex_3_benzyl","","","- C43 H70 Si2 U -","- C43 H70 Si2 U -","- C172 H280 Si8 U4 -","4","2","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.048","0.0339","","","0.0766","0.0824","","","","","","0.982","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081623","11.5354","0.0001","21.3908","0.0002","34.3625","0.0003","90","","90","","90","","8479","0.13","173","2","173","2","","","","","","","synthesis as described","4","P b n n","-P 2n 2b","52","complex_4_monoTMS","","","- C40 H74 Si3 U -","- C40 H74 Si3 U -","- C320 H592 Si24 U8 -","8","1","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.0632","0.0329","","","0.0759","0.0882","","","","","","0.962","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081624","13.4982","0.0002","21.8746","0.0003","16.172","0.0002","90","","104.288","0.001","90","","4627.36","0.11","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","complex_5_bisTMS","","","- C43 H82 Si4 U -","- C43 H82 Si4 U -","- C172 H328 Si16 U4 -","4","1","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.0434","0.0297","","","0.0613","0.0652","","","","","","1.025","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081625","16.0245","0.0002","8.5072","0.0001","26.9278","0.0003","90","","103.081","0.001","90","","3575.64","0.07","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","complex_6_tuckin","","","- C36 H62 Si2 U -","- C36 H62 Si2 U -","- C144 H248 Si8 U4 -","4","1","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.039","0.0285","","","0.085","0.0959","","","","","","0.714","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081626","12.0255","0.0002","15.0113","0.0003","22.2071","0.0005","90","","91.164","0.001","90","","4007.96","0.14","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","complex_6_tuckin_THF","","","- C40 H70 O Si2 U -","- C40 H70 O Si2 U -","- C160 H280 O4 Si8 U4 -","4","1","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.0845","0.0474","","","0.0814","0.0906","","","","","","1.015","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081627","8.9809","0.0002","11.9911","0.0002","19.1345","0.0005","101.534","0.001","93.119","0.001","104.471","0.002","1943.08","0.08","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","complex_7_methyl_CO2","","","- C38 H66 O2 Si2 U -","- C38 H66 O2 Si2 U -","- C76 H132 O4 Si4 U2 -","2","1","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.0603","0.0432","","","0.0826","0.0876","","","","","","1.01","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081628","13.2738","0.0004","15.4834","0.0003","22.6645","0.0005","100.05","0.001","90.117","0.001","108.221","0.001","4348.64","0.19","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","complex_8_benzyl_CO2","","","- C44 H70 O2 Si2 U -","- C44 H70 O2 Si2 U -","- C176 H280 O8 Si8 U4 -","4","2","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.1035","0.0545","","","0.1054","0.1252","","","","","","0.995","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081629","11.6959","0.0001","27.3298","0.0003","13.4179","0.0002","90","","115.566","0.001","90","","3869.05","0.09","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","complex_10_tuckin_CO2","","","- C80 H130 O4 Si4 U2 -","- C80 H130 O4 Si4 U2 -","- C160 H260 O8 Si8 U4 -","2","0.5","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.0619","0.0407","","","0.0792","0.085","","","","","","1.03","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081630","8.486","0.0002","22.6545","0.0005","9.7819","0.0003","90","","100.633","0.001","90","","1848.24","0.08","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","complex_11A_hydride","","","- C36 H63 Si2 U -","- C36 H63 Si2 U -","- C72 H126 Si4 U2 -","2","0.5","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.0613","0.0447","","","0.0743","0.0786","","","","","","1.098","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081631","13.5888","0.0004","36.4517","0.0011","15.9896","0.0004","90","","110.568","0.002","90","","7415.3","0.4","173","2","173","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","complex_11B_hydride","","","- C36 H63 Si2 U -","- C36 H63 Si2 U -","- C288 H504 Si16 U8 -","8","2","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.0606","0.0457","","","0.0867","0.0929","","","","","","1.047","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081632","8.9601","0.0002","11.9408","0.0003","19.1699","0.0006","101.418","0.001","91.992","0.001","103.723","0.002","1945.82","0.09","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","complex_12_formate","","","- C37 H64 O2 Si2 U -","- C37 H64 O2 Si2 U -","- C74 H128 O4 Si4 U2 -","2","1","","Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark","Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes","Organometallics","2013","32","19","5244","","10.1021/om400720m","","x-ray","0.71073","MoKα","","0.0424","0.0332","","","0.0756","0.0808","","","","","","0.876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081633","6.1115","0.0008","6.6003","0.0008","8.7623","0.0009","104.024","0.009","97.321","0.013","116.864","0.009","294.22","0.07","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C3 H9 Bi -","- C3 H9 Bi -","- C6 H18 Bi2 -","2","1","","Schulz, Stephan; Kuczkowski, Andreas; Bläser, Dieter; Wölper, Christoph; Jansen, Georg; Haack, Rebekka","Solid-State Structures of Trialkylbismuthines BiR3(R = Me,i-Pr)","Organometallics","2013","32","19","5445","","10.1021/om400730r","","","0.71073","MoKα","","0.073","0.0657","","","0.1548","0.1584","","","","","","1.082","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081634","7.7023","0.0003","10.0311","0.0004","7.8506","0.0003","90","","109.833","0.002","90","","570.58","0.04","141","2","141","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C9 H21 Bi -","- C9 H21 Bi -","- C18 H42 Bi2 -","2","1","","Schulz, Stephan; Kuczkowski, Andreas; Bläser, Dieter; Wölper, Christoph; Jansen, Georg; Haack, Rebekka","Solid-State Structures of Trialkylbismuthines BiR3(R = Me,i-Pr)","Organometallics","2013","32","19","5445","","10.1021/om400730r","","","0.71073","MoKα","","0.0246","0.0233","","","0.0622","0.0627","","","","","","1.237","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081635","13.4466","0.0006","14.3348","0.0007","21.7534","0.0011","90","","101.814","0.005","90","","4104.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cu2 F12 N8 P2 -","- C36 H28 Cu2 F12 N8 P2 -","- C144 H112 Cu8 F48 N32 P8 -","4","1","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.1449","0.1107","","","0.3086","0.3341","","","","","","1.929","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081636","16.2152","0.0006","13.4658","0.0005","19.0707","0.001","90","","103.266","0.004","90","","4053","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cu2 F12 N8 P2 -","- C36 H32 Cu2 F12 N8 P2 -","- C144 H128 Cu8 F48 N32 P8 -","4","1","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.084","0.0628","","","0.1721","0.193","","","","","","1.098","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081637","15.0889","0.0004","15.2534","0.0003","20.5155","0.0005","90","","91.02","0.002","90","","4721.04","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cu2 F12 N10 P2 -","- C42 H42 Cu2 F12 N10 P2 -","- C168 H168 Cu8 F48 N40 P8 -","4","1","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.1054","0.0853","","","0.225","0.2514","","","","","","1.038","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081638","14.4736","0.0007","14.5788","0.0007","15.0484","0.0008","68.389","0.005","75.38","0.004","65.775","0.004","2672.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H43 Cu2 F12 N9 P2 -","- C50 H43 Cu2 F12 N9 P2 -","- C100 H86 Cu4 F24 N18 P4 -","2","1","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.0899","0.0575","","","0.1458","0.1749","","","","","","1.038","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081639","25.9358","0.0017","15.9196","0.0005","24.953","0.002","90","","116.11","0.009","90","","9251.4","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H43 Cl2 Cu2 N8 -","- C50 H43 Cl2 Cu2 N9 -","- C400 H344 Cl16 Cu16 N72 -","8","1","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.0949","0.0693","","","0.212","0.235","","","","","","1.075","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081640","25.822","0.004","15.2487","0.0012","25.57","0.006","90","","114.51","0.02","90","","9161","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 Br2 Cu2 N8 -","- C48 H40 Br2 Cu2 N8 -","- C384 H320 Br16 Cu16 N64 -","8","1","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.1325","0.0856","","","0.2543","0.2753","","","","","","1.323","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081641","26.3096","0.0014","14.7888","0.0005","26.6472","0.0013","90","","115.305","0.006","90","","9373.2","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 Cu2 I2 N8 -","- C48 H40 Cu2 I2 N8 -","- C384 H320 Cu16 I16 N64 -","8","1","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.0924","0.0662","","","0.1944","0.2142","","","","","","1.094","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081642","12.5977","0.0004","15.5407","0.0006","16.44","0.0006","82.213","0.003","76.549","0.003","68.976","0.003","2917.1","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H55 Cu2 F12 N9 P2 -","- C56 H55 Cu2 F12 N9 P2 -","- C112 H110 Cu4 F24 N18 P4 -","2","1","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.0917","0.0626","","","0.1709","0.1958","","","","","","1.078","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081643","25.821","0.002","16.7778","0.0014","13.3603","0.0013","90","","97.862","0.008","90","","5733.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H39.5 Cu2 F12 N14.5 P2 -","- C51 H39.5 Cu2 F12 N14.5 P2 -","- C204 H158 Cu8 F48 N58 P8 -","4","0.5","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.1322","0.0708","","","0.184","0.2328","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081644","17.8295","0.0018","14.9484","0.001","15.3304","0.0013","90","","108.669","0.01","90","","3870.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cu2 F12 N10 P2 -","- C34 H26 Cu2 F12 N10 P2 -","- C136 H104 Cu8 F48 N40 P8 -","4","0.5","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.098","0.0766","","","0.2151","0.2356","","","","","","1.061","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081645","11.8783","0.0013","12.5234","0.0016","18.5523","0.0014","105.584","0.009","92.839","0.007","118.04","0.012","2295.6","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H33 Cu2 F12 N11 P2 -","- C44 H33 Cu2 F12 N11 P2 -","- C88 H66 Cu4 F24 N22 P4 -","2","1","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.1355","0.0972","","","0.3029","0.3315","","","","","","1.158","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081646","14.3018","0.0011","15.4518","0.0007","17.603","0.0011","75.739","0.005","70.577","0.007","74.451","0.005","3481.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H49 Cu3 F18 N19 P3 -","- C66 H49 Cu3 F18 N19 P3 -","- C132 H98 Cu6 F36 N38 P6 -","2","1","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.1685","0.1162","","","0.2917","0.3307","","","","","","1.099","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081647","15.1997","0.0012","21.2891","0.0015","14.0955","0.0011","90","","94.871","0.007","90","","4544.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 Cu F18 N8 P3 -","- C38 H34 Cu F18 N8 P3 -","- C152 H136 Cu4 F72 N32 P12 -","4","1","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.1751","0.1126","","","0.3","0.3473","","","","","","1.392","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081648","9.3475","0.0008","15.5518","0.001","12.473","0.0009","90","","91.797","0.007","90","","1812.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 F6 N5 P -","- C17 H14 F6 N5 P -","- C68 H56 F24 N20 P4 -","4","1","","Liu, Bo; Chen, Congyan; Zhang, Yuejiao; Liu, Xiaolong; Chen, Wanzhi","Dinuclear Copper(I) Complexes of Phenanthrolinyl-Functionalized NHC Ligands","Organometallics","2013","32","19","5451","","10.1021/om400738c","","","0.71073","MoKα","","0.085","0.0523","","","0.1308","0.1573","","","","","","1.028","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081649","8.7915","0.0003","11.7773","0.0004","19.4743","0.0007","79.623","0.002","88.313","0.002","68.932","0.002","1849.44","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H51 Cl N4 O2 Ru S -","- C38 H51 Cl N4 O2 Ru S -","- C76 H102 Cl2 N8 O4 Ru2 S2 -","2","1","","Dahcheh, Fatme; Stephan, Douglas W.","A New Route to Ruthenium Thiolate Alkylidene Complexes","Organometallics","2013","32","19","5253","","10.1021/om400740p","","","0.71073","MoKα","","0.0446","0.0342","","","0.0875","0.093","","","","","","1.032","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081650","20.652","0.0007","21.0587","0.0007","21.6212","0.0007","90","","90","","90","","9403.2","0.5","150","2","150","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C48 H58 Cl F5 N4 O3 Ru S -","- C48 H58 Cl F5 N4 O3 Ru S -","- C384 H464 Cl8 F40 N32 O24 Ru8 S8 -","8","1","","Dahcheh, Fatme; Stephan, Douglas W.","A New Route to Ruthenium Thiolate Alkylidene Complexes","Organometallics","2013","32","19","5253","","10.1021/om400740p","","","0.71073","MoKα","","0.1092","0.0491","","","0.0923","0.1116","","","","","","1.003","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081651","10.9876","0.0009","17.2317","0.0013","27.31","0.002","90","","90","","90","","5170.7","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Olex2 1.2-beta (compiled Apr 23 2013 17:59:47, GUI svn.r4466)","","- C11 H14 O2 S Si -","- C11 H14 O2 S Si -","- C176 H224 O32 S16 Si16 -","16","2","","Baldridge, Kim K.; Bunker, Kevin D.; Vélez, Carmen L.; Holland, Ryan L.; Rheingold, Arnold L.; Moore, Curtis E.; O’Connor, Joseph M.","Structural Characterization of (C5H5)Co(PPh3)(η2-alkyne) and (C5H5)Co(η2-alkyne) Complexes of Highly Polarized Alkynes","Organometallics","2013","32","19","5473","","10.1021/om400749g","","x-ray","0.71073","MoKα","K-L~3~","0.0376","0.0329","","","0.0867","0.0902","","","","","","1.034","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081652","10.5763","0.0016","10.6836","0.0016","16.64","0.003","93.231","0.002","92.647","0.002","92.913","0.002","1872.5","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","Olex2 1.2-beta (compiled Apr 23 2013 17:59:47, GUI svn.r4466)","","- C41 H48 Co O2 P S Si -","- C41 H48 Co O2 P S Si -","- C82 H96 Co2 O4 P2 S2 Si2 -","2","1","","Baldridge, Kim K.; Bunker, Kevin D.; Vélez, Carmen L.; Holland, Ryan L.; Rheingold, Arnold L.; Moore, Curtis E.; O’Connor, Joseph M.","Structural Characterization of (C5H5)Co(PPh3)(η2-alkyne) and (C5H5)Co(η2-alkyne) Complexes of Highly Polarized Alkynes","Organometallics","2013","32","19","5473","","10.1021/om400749g","","x-ray","0.71073","MoKα","K-L~3~","0.0476","0.0409","","","0.1098","0.1163","","","","","","1.035","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081653","10.5612","0.0012","17.853","0.002","16.0829","0.0019","90","","95.579","0.002","90","","3018.1","0.6","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Olex2 1.2-beta (compiled Apr 23 2013 17:59:47, GUI svn.r4466)","","- C34 H34 Co O2 P S Si -","- C34 H34 Co O2 P S Si -","- C136 H136 Co4 O8 P4 S4 Si4 -","4","1","","Baldridge, Kim K.; Bunker, Kevin D.; Vélez, Carmen L.; Holland, Ryan L.; Rheingold, Arnold L.; Moore, Curtis E.; O’Connor, Joseph M.","Structural Characterization of (C5H5)Co(PPh3)(η2-alkyne) and (C5H5)Co(η2-alkyne) Complexes of Highly Polarized Alkynes","Organometallics","2013","32","19","5473","","10.1021/om400749g","","x-ray","0.71073","MoKα","K-L~3~","0.0547","0.0369","","","0.0714","0.0786","","","","","","1.033","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081654","12.855","0.0005","16.1262","0.0004","16.9337","0.0006","112.931","0.003","105.841","0.003","97.547","0.003","2996.2","0.2","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 Fe2 N2 -","- C40 H32 Fe2 N2 -","- C160 H128 Fe8 N8 -","4","2","","Pfaff, Ulrike; Hildebrandt, Alexander; Schaarschmidt, Dieter; Rüffer, Tobias; Low, Paul J.; Lang, Heinrich","Molecular Wires using (Oligo)pyrroles as Connecting Units: An Electron Transfer Study","Organometallics","2013","32","20","6106","","10.1021/om4007533","","","0.71073","MoKα","","0.072","0.0387","","","0.0772","0.0813","","","","","","0.859","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081655","16.2608","0.0007","23.089","0.0011","10.5423","0.0004","90","","98.853","0.004","90","","3910.9","0.3","115","","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H41 Fe2 N3 O0.5 -","- C50.5 H41 Fe2 N3 O0.5 -","- C202 H164 Fe8 N12 O2 -","4","1","","Pfaff, Ulrike; Hildebrandt, Alexander; Schaarschmidt, Dieter; Rüffer, Tobias; Low, Paul J.; Lang, Heinrich","Molecular Wires using (Oligo)pyrroles as Connecting Units: An Electron Transfer Study","Organometallics","2013","32","20","6106","","10.1021/om4007533","","","1.54184","CuKα","","0.1138","0.0598","","","0.1297","0.1425","","","","","","0.787","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081656","7.2632","0.0003","15.1417","0.0006","20.8123","0.0008","76.704","0.003","87.07","0.003","79.227","0.003","2188.19","0.15","115","2","115","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H46 Fe2 N4 -","- C60 H46 Fe2 N4 -","- C120 H92 Fe4 N8 -","2","1","","Pfaff, Ulrike; Hildebrandt, Alexander; Schaarschmidt, Dieter; Rüffer, Tobias; Low, Paul J.; Lang, Heinrich","Molecular Wires using (Oligo)pyrroles as Connecting Units: An Electron Transfer Study","Organometallics","2013","32","20","6106","","10.1021/om4007533","","","1.54184","CuKα","","0.0663","0.0455","","","0.1122","0.1199","","","","","","0.942","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081657","11.5954","0.0002","9.5005","0.0001","32.186","0.0005","90","","99.437","0.002","90","","3497.69","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 Fe2 O4 -","- C46 H44 Fe2 O4 -","- C184 H176 Fe8 O16 -","4","1","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","1.54184","CuKα","","0.0329","0.0317","","","0.0827","0.0834","","","","","","1.062","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081658","10.66116","0.00005","19.01487","0.00007","14.44604","0.00006","90","","100.277","0.0004","90","","2881.52","0.02","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Fe O4 -","- C36 H36 Fe O4 -","- C144 H144 Fe4 O16 -","4","1","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","1.54184","CuKα","","0.0282","0.0263","","","0.0734","0.074","","","","","","1.098","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081659","10.2715","0.0001","12.30103","0.00008","17.3992","0.0001","90","","90","","90","","2198.39","0.03","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22.97 Br0.03 Fe N O2 -","- C29 H22.9715 Br0.0285 Fe N O2 -","- C116 H91.886 Br0.114 Fe4 N4 O8 -","4","1","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","1.54184","CuKα","","0.0285","0.028","","","0.0738","0.0739","","","","","","1.083","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081660","11.1937","0.0004","12.2048","0.0003","12.8331","0.0004","105.059","0.003","105.084","0.003","91.805","0.003","1625.42","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H37 Fe2 N O2 -","- C45 H37 Fe2 N O2 -","- C90 H74 Fe4 N2 O4 -","2","1","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","0.71073","MoKα","","0.0394","0.0312","","","0.0904","0.0926","","","","","","1.086","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081661","8.3059","0.0002","10.63","0.0002","14.1154","0.0004","90.315","0.002","102.048","0.002","98.331","0.002","1205.14","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 Fe N O4 -","- C31 H25 Fe N O4 -","- C62 H50 Fe2 N2 O8 -","2","1","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","0.71073","MoKα","","0.0328","0.0282","","","0.0749","0.0764","","","","","","1.061","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081662","9.4398","0.0002","13.7214","0.0002","24.6874","0.0004","90","","99.142","0.002","90","","3157.07","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.74 H33.48 Cl Fe2 N O2.5 -","- C39.738 H32.952 Cl Fe2 N O2.5 -","- C158.952 H131.808 Cl4 Fe8 N4 O10 -","4","1","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","0.71073","MoKα","","0.0444","0.0374","","","0.1079","0.1107","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081663","14.3404","0.0007","9.7821","0.0003","18.9049","0.0008","90","","111.617","0.005","90","","2465.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Fe O2 -","- C34 H30 Fe O2 -","- C136 H120 Fe4 O8 -","4","1","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","0.71073","MoKα","","0.0356","0.031","","","0.0747","0.0776","","","","","","1.037","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081664","10.839","0.0004","21.1664","0.0009","29.1523","0.0015","90","","90.786","0.004","90","","6687.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C86 H86 Fe2 N2 O4 -","- C86 H86 Fe2 N2 O4 -","- C344 H344 Fe8 N8 O16 -","4","1","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","0.71073","MoKα","","0.0438","0.0365","","","0.087","0.092","","","","","","1.038","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081665","10.1014","0.0003","10.9601","0.0003","26.7339","0.0008","90","","94.559","0.003","90","","2950.41","0.15","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 Cl2 Fe N O4 -","- C34 H35 Cl2 Fe N O4 -","- C136 H140 Cl8 Fe4 N4 O16 -","4","1","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","0.71073","MoKα","","0.0393","0.0331","","","0.0757","0.0789","","","","","","1.052","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081666","11.5194","0.0004","13.8068","0.0005","18.6795","0.0006","86.257","0.003","82.51","0.003","77.847","0.003","2877.34","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H29 F3 Fe2 -","- C41 H29 F3 Fe2 -","- C164 H116 F12 Fe8 -","4","2","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","1.54184","CuKα","","0.067","0.0455","","","0.1054","0.1168","","","","","","1.02","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081667","9.5507","0.0001","11.315","0.0002","11.9113","0.0002","102.164","0.001","109.732","0.001","104.203","0.001","1112.15","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 Fe -","- C32 H26 Fe -","- C64 H52 Fe2 -","2","1","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","0.71073","MoKα","","0.0505","0.0379","","","0.0723","0.0778","","","","","","1.068","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081668","13.5063","0.0003","16.1929","0.0002","13.1093","0.0003","90","","115.108","0.003","90","","2596.17","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Fe O4 -","- C34 H30 Fe O4 -","- C136 H120 Fe4 O16 -","4","1","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","0.71073","MoKα","","0.0383","0.0316","","","0.0733","0.0773","","","","","","1.055","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081669","10.8835","0.0001","11.3403","0.0002","12.0534","0.0001","107.948","0.001","90.7519","0.0008","102.157","0.0009","1378.65","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 Fe O6 -","- C36 H30 Fe O6 -","- C72 H60 Fe2 O12 -","2","1","","Nikitin, Kirill; Müller-Bunz, Helge; McGlinchey, Michael J.","Diels‒Alder Reactions of 9-Ferrocenyl- and 9,10-Diferrocenylanthracene: Steric Control of 9,10- versus 1,4-Cycloaddition","Organometallics","2013","32","20","6118","","10.1021/om400762f","","","0.71073","MoKα","","0.0365","0.0311","","","0.0735","0.077","","","","","","1.037","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081670","14.9318","0.0007","12.8892","0.0007","16.7268","0.0009","90","","116.089","0.007","90","","2891.2","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H40 F6 Li2 N4 -","- C26 H40 F6 Li2 N4 -","- C104 H160 F24 Li8 N16 -","4","0.5","","Garden, Jennifer A.; Armstrong, David R.; Clegg, William; García-Alvarez, Joaquin; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.; Russo, Luca","Donor-Activated Lithiation and Sodiation of Trifluoromethylbenzene: Structural, Spectroscopic, and Theoretical Insights","Organometallics","2013","32","19","5481","","10.1021/om4007664","","","0.71073","MoKα","","0.0587","0.0408","","","0.1173","0.122","","","","","","1.063","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081671","12.4249","0.0006","14.6166","0.0005","17.683","0.0008","90","","110.919","0.005","90","","2999.7","0.2","123","2","123","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C26 H40 F6 N4 Na2 -","- C26 H40 F6 N4 Na2 -","- C104 H160 F24 N16 Na8 -","4","0.5","","Garden, Jennifer A.; Armstrong, David R.; Clegg, William; García-Alvarez, Joaquin; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.; Russo, Luca","Donor-Activated Lithiation and Sodiation of Trifluoromethylbenzene: Structural, Spectroscopic, and Theoretical Insights","Organometallics","2013","32","19","5481","","10.1021/om4007664","","","0.71073","MoKα","","0.0425","0.0335","","","0.0836","0.089","","","","","","1.03","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081672","9.3966","0.0002","13.8611","0.0003","14.2631","0.0003","90","","94.259","0.002","90","","1852.6","0.07","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H54 F6 N6 Na2 -","- C32 H54 F6 N6 Na2 -","- C64 H108 F12 N12 Na4 -","2","0.5","","Garden, Jennifer A.; Armstrong, David R.; Clegg, William; García-Alvarez, Joaquin; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.; Russo, Luca","Donor-Activated Lithiation and Sodiation of Trifluoromethylbenzene: Structural, Spectroscopic, and Theoretical Insights","Organometallics","2013","32","19","5481","","10.1021/om4007664","","","0.71073","MoKα","","0.0571","0.0416","","","0.1038","0.1125","","","","","","1.045","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081673","13.9704","0.0013","18.0085","0.0017","26.947","0.003","90","","97.053","0.002","90","","6728.2","1.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H83 N8 P2 Sc -","- C76 H83 N8 P2 Sc -","- C304 H332 N32 P8 Sc4 -","4","1","","Rong, Weifeng; Cheng, Jianhua; Mou, Zehuai; Xie, Hongyan; Cui, Dongmei","Facile Preparation of a Scandium Terminal Imido Complex Supported by a Phosphazene Ligand","Organometallics","2013","32","19","5523","","10.1021/om400803q","","","0.71073","MoKα","","0.1129","0.0688","","","0.1936","0.23","","","","","","1.04","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081674","48.821","0.003","14.3262","0.0008","19.149","0.0012","90","","108.78","0.001","90","","12680.2","1.3","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H88 N4 P2 Si Y -","- C67 H88 N4 P2 Si Y -","- C536 H704 N32 P16 Si8 Y8 -","8","1","","Rong, Weifeng; Cheng, Jianhua; Mou, Zehuai; Xie, Hongyan; Cui, Dongmei","Facile Preparation of a Scandium Terminal Imido Complex Supported by a Phosphazene Ligand","Organometallics","2013","32","19","5523","","10.1021/om400803q","","","0.71073","MoKα","","0.1577","0.0732","","","0.1589","0.1992","","","","","","0.981","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081675","23.0407","0.0012","13.1043","0.0007","21.4908","0.0011","90","","114.098","0.001","90","","5923.3","0.5","273","2","273","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C64 H83 Lu N4 P2 Si -","- C64 H83 Lu N4 P2 Si -","- C256 H332 Lu4 N16 P8 Si4 -","4","1","","Rong, Weifeng; Cheng, Jianhua; Mou, Zehuai; Xie, Hongyan; Cui, Dongmei","Facile Preparation of a Scandium Terminal Imido Complex Supported by a Phosphazene Ligand","Organometallics","2013","32","19","5523","","10.1021/om400803q","","","0.71073","MoKα","","0.0313","0.0284","","","0.0571","0.0583","","","","","","0.987","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081676","13.3417","0.0008","23.5568","0.0013","22.3531","0.0013","90","","94.232","0.001","90","","7006.2","0.7","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H90 N5 O0 P2 Si0 Y -","- C78 H96 N5 P2 Y -","- C312 H384 N20 P8 Y4 -","4","1","","Rong, Weifeng; Cheng, Jianhua; Mou, Zehuai; Xie, Hongyan; Cui, Dongmei","Facile Preparation of a Scandium Terminal Imido Complex Supported by a Phosphazene Ligand","Organometallics","2013","32","19","5523","","10.1021/om400803q","","","0.71073","MoKα","","0.1006","0.0573","","","0.1263","0.1456","","","","","","0.996","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081677","17.8056","0.0012","61.743","0.004","7.4649","0.0005","90","","90","","90","","8206.7","0.9","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C21 H26 B F4 N2 P -","- C21 H26 B F4 N2 P -","- C336 H416 B16 F64 N32 P16 -","16","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0537","0.0438","","","0.0942","0.0983","","","","","","1.051","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081678","9.5088","0.0003","11.7547","0.0003","13.9882","0.0004","90","","100.54","0.001","90","","1537.12","0.08","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H27 B F4 N2 O5 P Re -","- C31 H27 B F4 N2 O5 P Re -","- C62 H54 B2 F8 N4 O10 P2 Re2 -","2","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0371","0.029","","","0.0569","0.0597","","","","","","1.09","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081679","11.7178","0.0005","12.2209","0.0004","13.1459","0.0005","97.17","0.002","114.524","0.002","98.649","0.002","1656.12","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H30 F3 N O9 P Re S -","- C31 H30 F3 N O9 P Re S -","- C62 H60 F6 N2 O18 P2 Re2 S2 -","2","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0368","0.0255","","","0.0494","0.0528","","","","","","1.015","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081680","40.9058","0.0018","10.1635","0.0004","37.0735","0.0016","90","","92.189","0.002","90","","15401.9","1.1","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C22.67 H21.67 B F4 N O6.17 P Re -","- C22.6667 H21.6667 B F4 N O6.16667 P Re -","- C544 H520 B24 F96 N24 O148 P24 Re24 -","24","3","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0552","0.0394","","","0.0779","0.0843","","","","","","1.182","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081681","26.6871","0.0004","26.6871","0.0004","26.6871","0.0004","90","","90","","90","","19006.6","0.5","100","2","100","2","","","","","","","","8","P -4 3 n","P -4n 2 3","218","","","","- C28 H26 B F4 N3 O5 P Re -","- C28 H26 B F4 N3 O5 P Re -","- C672 H624 B24 F96 N72 O120 P24 Re24 -","24","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0341","0.0277","","","0.0694","0.0732","","","","","","1.103","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081682","10.9084","0.0006","25.6184","0.0013","12.0556","0.0007","90","","112.735","0.002","90","","3107.2","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 B F4 N O6 P Re -","- C30 H28 B F4 N O6 P Re -","- C120 H112 B4 F16 N4 O24 P4 Re4 -","4","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0273","0.0232","","","0.0466","0.0475","","","","","","1.189","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081683","9.8649","0.0006","11.6543","0.0007","13.132","0.0008","74.641","0.003","72.146","0.003","66.792","0.002","1302.74","0.14","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H25 B F4 N2 O4 P Re -","- C25 H25 B F4 N2 O4 P Re -","- C50 H50 B2 F8 N4 O8 P2 Re2 -","2","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0258","0.0252","","","0.06","0.0606","","","","","","1.164","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081684","21.3943","0.0007","35.6316","0.0012","9.4989","0.0003","90","","98.482","0.002","90","","7161.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H31 B2 F8 N3 O5 P Re -","- C33 H31 B2 F8 N3 O5 P Re -","- C264 H248 B16 F64 N24 O40 P8 Re8 -","8","2","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0649","0.0471","","","0.086","0.0926","","","","","","1.136","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081685","9.7279","0.0004","12.0858","0.0005","14.6112","0.0006","77.393","0.002","87.647","0.002","86.554","0.002","1672.69","0.12","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C29 H26 B F7 N2 O8 P Re S -","- C29 H26 B F7 N2 O8 P Re S -","- C58 H52 B2 F14 N4 O16 P2 Re2 S2 -","2","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0445","0.0323","","","0.0755","0.081","","","","","","1.07","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081686","14.3448","0.0006","13.5239","0.0005","18.9198","0.0008","90","","102.108","0.002","90","","3588.7","0.3","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C29 H29 B2 Cl2 F8 N3 O5 P Re -","- C29 H29 B2 Cl2 F8 N3 O5 P Re -","- C116 H116 B8 Cl8 F32 N12 O20 P4 Re4 -","4","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0339","0.0231","","","0.053","0.0594","","","","","","1.073","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081687","14.526","0.0009","13.7856","0.0009","14.5321","0.0009","90","","90","","90","","2910","0.3","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C26 H26 B2 F8 N2 O5 P Re -","- C26 H26 B2 F8 N2 O5 P Re -","- C104 H104 B8 F32 N8 O20 P4 Re4 -","4","1","","Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E.","A Thermodynamic Analysis of Rhenium(I)‒Formyl C‒H Bond Formation via Base-Assisted Heterolytic H2Cleavage in the Secondary Coordination Sphere","Organometallics","2013","32","19","5530","","10.1021/om400810v","","","0.71073","MoKα","","0.0373","0.0259","","","0.0548","0.0589","","","","","","1.082","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081688","13.2135","0.0002","17.0126","0.0002","11.9512","0.0002","90","","116.291","0.002","90","","2408.67","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Cl2 N3 Ru -","- C26 H27 Cl2 N3 Ru -","- C104 H108 Cl8 N12 Ru4 -","4","1","","Hackenberg, Frauke; Müller-Bunz, Helge; Smith, Raymond; Streciwilk, Wojciech; Zhu, Xiangming; Tacke, Matthias","Novel Ruthenium(II) and Gold(I) NHC Complexes: Synthesis, Characterization, and Evaluation of Their Anticancer Properties","Organometallics","2013","32","19","5551","","10.1021/om400819p","","","0.71073","MoKα","","0.0335","0.0283","","","0.0708","0.0746","","","","","","1.033","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081689","11.1988","0.0002","20.6671","0.0003","17.453","0.0004","90","","105.969","0.002","90","","3883.56","0.13","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75 H81 Au2 Cl5 N4 O4 -","- C74.012 H80.028 Au2 Cl2 N4 O4 -","- C148.024 H160.056 Au4 Cl4 N8 O8 -","2","0.25","","Hackenberg, Frauke; Müller-Bunz, Helge; Smith, Raymond; Streciwilk, Wojciech; Zhu, Xiangming; Tacke, Matthias","Novel Ruthenium(II) and Gold(I) NHC Complexes: Synthesis, Characterization, and Evaluation of Their Anticancer Properties","Organometallics","2013","32","19","5551","","10.1021/om400819p","","","0.71073","MoKα","","0.0292","0.0258","","","0.0595","0.0607","","","","","","1.112","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081690","35.1731","0.001","16.6491","0.0004","18.7399","0.0005","90","","96.397","0.003","90","","10905.8","0.5","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H35 Al N2 O -","- C31 H35 Al N2 O -","- C496 H560 Al16 N32 O16 -","16","2","","Yow, Shuhui; Nako, Adi E.; Neveu, Léonard; White, Andrew J. P.; Crimmin, Mark R.","A Highly Chemoselective, Zr-Catalyzed C‒O Bond Functionalization of Benzofuran","Organometallics","2013","32","19","5260","","10.1021/om4008295","","","0.71073","MoKα","","0.0756","0.0496","","","0.1221","0.1386","","","","","","1.028","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081691","35.7739","0.0004","16.53506","0.00017","18.7014","0.0002","90","","97.8415","0.0011","90","","10958.9","0.2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H36.69 Al N2 O -","- C31 H36.692 Al N2 O -","- C496 H587.072 Al16 N32 O16 -","16","2","","Yow, Shuhui; Nako, Adi E.; Neveu, Léonard; White, Andrew J. P.; Crimmin, Mark R.","A Highly Chemoselective, Zr-Catalyzed C‒O Bond Functionalization of Benzofuran","Organometallics","2013","32","19","5260","","10.1021/om4008295","","","1.54184","CuKα","","0.0553","0.0439","","","0.1165","0.1247","","","","","","1.033","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081692","9.213","0.005","10.141","0.005","11.961","0.005","96.618","0.005","109.132","0.005","95.721","0.005","1037.4","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H56 N4 O4 Zn2 -","- C34 H56 N4 O4 Zn2 -","- C34 H56 N4 O4 Zn2 -","1","0.5","","Kubisiak, Marcin; Zelga, Karolina; Justyniak, Iwona; Tratkiewicz, Ewa; Pietrzak, Tomasz; Keeri, Abdul R.; Ochal, Zbigniew; Hartenstein, Larissa; Roesky, Peter W.; Lewiński, Janusz","Catalytic Epoxidation of Enones Mediated by Zinc Alkylperoxide/tert-BuOOH Systems","Organometallics","2013","32","19","5263","","10.1021/om400830e","","","0.71073","MoKα","","0.0467","0.0415","","","0.088","0.0908","","","","","","1.053","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081693","11.3438","0.0016","13.823","0.0019","17.075","0.002","90.571","0.009","109.052","0.008","103.315","0.008","2452.2","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","MAB.III.112","","","- C32 H24 F22 N6 O8 Pt S4 -","- C32 H24 F22 N6 O8 Pt S4 -","- C64 H48 F44 N12 O16 Pt2 S8 -","2","1","","Bowring, Miriam A.; Bergman, Robert G.; Tilley, T. Don","Isolation of a Dicationic Platinum Complex with Two Accessible Coordination Sites","Organometallics","2013","32","19","5266","","10.1021/om4008357","","","0.71073","MoKα","","0.0709","0.0574","","","0.1293","0.1348","","","","","","1.077","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081694","19.6235","0.0016","22.9245","0.0019","19.7261","0.0017","90","","91.756","0.002","90","","8869.8","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H54 N2 O Si W -","- C51 H54 N2 O Si W -","- C408 H432 N16 O8 Si8 W8 -","8","2","","Gerber, Laura C. H.; Schrock, Richard R.","Synthesis of Methylidene Complexes that Contain a 2,6-Dimesitylphenylimido Ligand and Ethenolysis of 2,3-Dicarbomethoxynorbornadiene","Organometallics","2013","32","19","5573","","10.1021/om400844k","","","0.71073","MoKα","","0.0421","0.022","","","0.0494","0.0596","","","","","","1.023","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081695","10.6649","0.0012","23.348","0.003","16.8858","0.0019","90","","93.836","0.003","90","","4195.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H50 N2 O Si W -","- C49 H50 N2 O Si W -","- C196 H200 N8 O4 Si4 W4 -","4","1","","Gerber, Laura C. H.; Schrock, Richard R.","Synthesis of Methylidene Complexes that Contain a 2,6-Dimesitylphenylimido Ligand and Ethenolysis of 2,3-Dicarbomethoxynorbornadiene","Organometallics","2013","32","19","5573","","10.1021/om400844k","","","0.71073","MoKα","","0.0268","0.0216","","","0.0451","0.0465","","","","","","1.058","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081696","12.0776","0.0007","12.8509","0.0007","22.2515","0.0013","88.694","0.001","83.724","0.001","75.045","0.001","3316.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70.94 H85.3 N4.53 O6.47 Si W -","- C70.944 H85.304 N4.528 O6.472 Si W -","- C141.888 H170.608 N9.056 O12.944 Si2 W2 -","2","1","","Gerber, Laura C. H.; Schrock, Richard R.","Synthesis of Methylidene Complexes that Contain a 2,6-Dimesitylphenylimido Ligand and Ethenolysis of 2,3-Dicarbomethoxynorbornadiene","Organometallics","2013","32","19","5573","","10.1021/om400844k","","","0.71073","MoKα","","0.0423","0.0375","","","0.087","0.0887","","","","","","1.274","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081697","7.5322","0.001","40.711","0.005","17.656","0.002","90","","96.746","0.002","90","","5376.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd-complex","Pd-complex","","- C54 H50 F6 N6 O13 Pd2 -","- C54 H50 F6.006 N6 O13 Pd2 -","- C216 H200 F24.024 N24 O52 Pd8 -","4","1","","Oloo, Williamson N.; Zavalij, Peter Y.; Vedernikov, Andrei N.","Palladium(IV) Monohydrocarbyls: Mechanistic Study of the Ligand-Enabled Oxidation of Palladium(II) Complexes with H2O2in Water","Organometallics","2013","32","19","5601","","10.1021/om400878u","","","0.71073","MoKα","","0.056","0.0387","","","0.0757","0.0799","","","","","","1.041","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081698","21.1268","0.0014","9.2511","0.0006","20.5534","0.0014","90","","111.838","0.0009","90","","3728.8","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Pd2-complex","Pd2-complex","","- C35 H24 Cl6 F2 N4 O4 Pd2 -","- C35 H24 Cl6 F2 N4 O4 Pd2 -","- C140 H96 Cl24 F8 N16 O16 Pd8 -","4","0.5","","Oloo, Williamson N.; Zavalij, Peter Y.; Vedernikov, Andrei N.","Palladium(IV) Monohydrocarbyls: Mechanistic Study of the Ligand-Enabled Oxidation of Palladium(II) Complexes with H2O2in Water","Organometallics","2013","32","19","5601","","10.1021/om400878u","","","0.71073","MoKα","","0.0446","0.037","","","0.0852","0.0888","","","","","","1","","","","has coordinates,has disorder","178705","2020-10-21","18:00:00",""
"4081699","11.9541","0.0012","12.2514","0.0012","13.5192","0.0018","67.882","0.002","63.773","0.002","63.445","0.002","1548.7","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H38 Br2 N2 Si2 -","- C30 H38 Br2 N2 Si2 -","- C60 H76 Br4 N4 Si4 -","2","1","","You, Xu; Yu, Shasha; Liu, Yuanhong","Reactions of Zirconocene Butadiyne or Monoyne Complexes with Nitriles: Straightfoward Synthesis of Functionalized Pyrimidines","Organometallics","2013","32","19","5273","","10.1021/om400880r","","","0.71073","MoKα","","0.0443","0.0302","","","0.092","0.1108","","","","","","1.012","","","","has coordinates","178705","2020-10-21","18:00:00",""
"4081700","10.0497","0.001","28.013","0.003","12.5855","0.0011","90","","111.802","0.002","90","","3289.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H41 Br N2 O Si2 -","- C31 H41 Br N2 O Si2 -","- C124 H164 Br4 N8 O4 Si8 -","4","1","","You, Xu; Yu, Shasha; Liu, Yuanhong","Reactions of Zirconocene Butadiyne or Monoyne Complexes with Nitriles: Straightfoward Synthesis of Functionalized Pyrimidines","Organometallics","2013","32","19","5273","","10.1021/om400880r","","","0.71073","MoKα","","0.1334","0.0816","","","0.2213","0.2578","","","","","","1.053","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081701","23.9708","0.0017","58.339","0.004","5.9056","0.0004","90","","90","","90","","8258.6","1","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C448 H320 N32 -","16","1","","You, Xu; Yu, Shasha; Liu, Yuanhong","Reactions of Zirconocene Butadiyne or Monoyne Complexes with Nitriles: Straightfoward Synthesis of Functionalized Pyrimidines","Organometallics","2013","32","19","5273","","10.1021/om400880r","","","0.71073","MoKα","","0.0562","0.0484","","","0.1014","0.105","","","","","","1.135","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081702","15.6183","0.0007","11.6578","0.0005","29.7284","0.0012","90","","104.494","0.001","90","","5240.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 N2 P -","- C27 H41 N2 P -","- C216 H328 N16 P8 -","8","2","","Ruddy, Adam J.; Kelly, Colin M.; Crawford, Sarah M.; Wheaton, Craig A.; Sydora, Orson L.; Small, Brooke L.; Stradiotto, Mark; Turculet, Laura","(N-Phosphinoamidinate)Iron Pre-Catalysts for the Room Temperature Hydrosilylation of Carbonyl Compounds with Broad Substrate Scope at Low Loadings","Organometallics","2013","32","19","5581","","10.1021/om400883u","","","0.71073","MoKα","","0.0577","0.0418","","","0.101","0.1105","","","","","","1.023","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081703","10.512","0.0002","10.5164","0.0002","18.0374","0.0004","77.592","0.001","75.604","0.002","61.684","0.001","1689.27","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H50 Fe N3 P Si2 -","- C29 H50 Fe N3 P Si2 -","- C58 H100 Fe2 N6 P2 Si4 -","2","1","","Ruddy, Adam J.; Kelly, Colin M.; Crawford, Sarah M.; Wheaton, Craig A.; Sydora, Orson L.; Small, Brooke L.; Stradiotto, Mark; Turculet, Laura","(N-Phosphinoamidinate)Iron Pre-Catalysts for the Room Temperature Hydrosilylation of Carbonyl Compounds with Broad Substrate Scope at Low Loadings","Organometallics","2013","32","19","5581","","10.1021/om400883u","","","1.54178","CuKα","","0.0513","0.0421","","","0.1068","0.1122","","","","","","1.047","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081704","17.7285","0.0011","19.4132","0.0012","22.7688","0.0014","90","","107.541","0.001","90","","7471.9","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H58 Fe N3 P Si2 -","- C33 H58 Fe N3 P Si2 -","- C264 H464 Fe8 N24 P8 Si16 -","8","2","","Ruddy, Adam J.; Kelly, Colin M.; Crawford, Sarah M.; Wheaton, Craig A.; Sydora, Orson L.; Small, Brooke L.; Stradiotto, Mark; Turculet, Laura","(N-Phosphinoamidinate)Iron Pre-Catalysts for the Room Temperature Hydrosilylation of Carbonyl Compounds with Broad Substrate Scope at Low Loadings","Organometallics","2013","32","19","5581","","10.1021/om400883u","","","0.71073","MoKα","","0.0544","0.0365","","","0.0875","0.098","","","","","","1.01","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081705","17.622","0.0013","19.4261","0.0014","22.771","0.0016","90","","107.328","0.001","90","","7441.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H58 Co N3 P Si2 -","- C33 H58 Co N3 P Si2 -","- C264 H464 Co8 N24 P8 Si16 -","8","2","","Ruddy, Adam J.; Kelly, Colin M.; Crawford, Sarah M.; Wheaton, Craig A.; Sydora, Orson L.; Small, Brooke L.; Stradiotto, Mark; Turculet, Laura","(N-Phosphinoamidinate)Iron Pre-Catalysts for the Room Temperature Hydrosilylation of Carbonyl Compounds with Broad Substrate Scope at Low Loadings","Organometallics","2013","32","19","5581","","10.1021/om400883u","","","0.71073","MoKα","","0.067","0.0415","","","0.0931","0.1071","","","","","","1.035","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081706","10.2435","0.00013","10.2435","0.00013","43.704","0.0007","90","","90","","90","","4585.83","0.11","120","0.1","120.01","0.1","","","","","","","synthesis as described","5","P 43 21 2","P 4nw 2abw","96","","","","- C48 H74 Mg N4 O -","- C48 H74 Mg N4 O -","- C192 H296 Mg4 N16 O4 -","4","0.5","","Schwamm, Ryan J.; Coles, Martyn P.","Catalytic C‒C Bond Formation Promoted by Organo- and Amidomagnesium(II) Compounds","Organometallics","2013","32","19","5277","","10.1021/om400909e","","","1.5418","CuKα","","0.0399","0.0365","","","0.0918","0.094","","","","","","1.044","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081707","9.9306","0.0002","24.287","0.0004","18.9646","0.0004","90","","114.059","0.002","90","","4176.61","0.15","120.01","0.1","120.01","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H72 Mg N6 O Si4 -","- C30 H72 Mg N6 O Si4 -","- C120 H288 Mg4 N24 O4 Si16 -","4","1","","Schwamm, Ryan J.; Coles, Martyn P.","Catalytic C‒C Bond Formation Promoted by Organo- and Amidomagnesium(II) Compounds","Organometallics","2013","32","19","5277","","10.1021/om400909e","","","1.5418","CuKα","","0.0879","0.0799","","","0.1254","0.13","","","","","","1.055","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081708","11.0212","0.0006","22.0516","0.001","12.0459","0.0008","90","","105.758","0.007","90","","2817.6","0.3","120.01","0.1","120.01","0.1","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C64 H84 Mg2 O8 -","- C64 H84 Mg2 O8 -","- C128 H168 Mg4 O16 -","2","0.25","","Schwamm, Ryan J.; Coles, Martyn P.","Catalytic C‒C Bond Formation Promoted by Organo- and Amidomagnesium(II) Compounds","Organometallics","2013","32","19","5277","","10.1021/om400909e","","","1.5418","CuKα","","0.078","0.0745","","","0.221","0.2294","","","","","","0.994","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081709","9.373","0.0003","10.036","0.0004","10.5466","0.0004","78.282","0.003","70.533","0.003","77.85","0.003","904.86","0.06","120.01","0.1","120.01","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C38 H54 Mg N4 O2 -","- C38 H54 Mg N4 O2 -","- C38 H54 Mg N4 O2 -","1","0.5","","Schwamm, Ryan J.; Coles, Martyn P.","Catalytic C‒C Bond Formation Promoted by Organo- and Amidomagnesium(II) Compounds","Organometallics","2013","32","19","5277","","10.1021/om400909e","","x-ray","1.5418","CuKα","","0.0358","0.0345","","","0.09","0.0914","","","","","","1.025","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081710","18.0583","0.00013","12.4028","0.00008","19.3374","0.00013","90","","90","","90","","4331.06","0.05","120","0.1","120","0.1","","","","","","","synthesis as described","6","P c a 21","P 2c -2ac","29","","","","- C38 H58 Br2 Mg2 N4 O2 -","- C38 H58 Br2 Mg2 N4 O2 -","- C152 H232 Br8 Mg8 N16 O8 -","4","1","","Schwamm, Ryan J.; Coles, Martyn P.","Catalytic C‒C Bond Formation Promoted by Organo- and Amidomagnesium(II) Compounds","Organometallics","2013","32","19","5277","","10.1021/om400909e","","","1.5418","CuKα","","0.0344","0.0343","","","0.089","0.089","","","","","","1.058","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081711","19.308","0.006","8.596","0.003","21.611","0.007","90","","109.343","0.005","90","","3384.3","1.9","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H46 B Cl3 N2 O2 P2 Ru -","- C27 H46 B Cl3 N2 O2 P2 Ru -","- C108 H184 B4 Cl12 N8 O8 P8 Ru4 -","4","1","","Miyada, Takuma; Yamashita, Makoto","Oxygenation of a Ruthenium Complex Bearing a PBP-Pincer Ligand Inducing the Formation of a Boronato Ligand with a Weak Ru‒O Bond","Organometallics","2013","32","19","5281","","10.1021/om400915x","","","0.71075","MoKα","","0.0904","0.0753","","","0.1385","0.1465","","","","","","1.174","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081712","11.472","0.004","37.285","0.014","13.446","0.005","90","","90","","90","","5751","4","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H45 B N2 O3 P2 Ru -","- C26 H45 B N2 O3 P2 Ru -","- C208 H360 B8 N16 O24 P16 Ru8 -","8","1","","Miyada, Takuma; Yamashita, Makoto","Oxygenation of a Ruthenium Complex Bearing a PBP-Pincer Ligand Inducing the Formation of a Boronato Ligand with a Weak Ru‒O Bond","Organometallics","2013","32","19","5281","","10.1021/om400915x","","","0.71075","MoKα","","0.0797","0.0587","","","0.0883","0.0957","","","","","","1.177","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081713","12.9314","0.0014","20.9807","0.0016","24.074","0.003","90","","104.552","0.005","90","","6322","1.2","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H44 Au N3 O2 -","- C33 H44 Au N3 O2 -","- C264 H352 Au8 N24 O16 -","8","4","","Hase, Shun; Kayaki, Yoshihito; Ikariya, Takao","NHC‒Gold(I) Complexes as Effective Catalysts for the Carboxylative Cyclization of Propargylamines with Carbon Dioxide","Organometallics","2013","32","19","5285","","10.1021/om400949m","","","0.71075","MoKα","","","0.0398","","","","0.101","","","","","","1","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081714","10.7367","0.0006","8.5749","0.0004","15.5382","0.0008","90","","108.514","0.001","90","","1356.51","0.12","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H52 Al2 P2 -","- C22 H52 Al2 P2 -","- C44 H104 Al4 P4 -","2","0.5","","Bertini, Federica; Hoffmann, Frank; Appelt, Christian; Uhl, Werner; Ehlers, Andreas W.; Slootweg, J. Chris; Lammertsma, Koop","Reactivity of Dimeric P/Al-Based Lewis Pairs toward Carbon Dioxide andtert-Butyl Isocyanate","Organometallics","2013","32","22","6764","","10.1021/om3011382","","","0.71073","MoKα","","0.049","0.0349","","","0.088","0.0926","","","","","","0.97","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081715","12.8425","0.0002","9.9333","0.0001","15.1509","0.0002","90","","95.085","0.001","90","","1925.17","0.04","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H35 Al N O P -","- C16 H35 Al N O P -","- C64 H140 Al4 N4 O4 P4 -","4","1","","Bertini, Federica; Hoffmann, Frank; Appelt, Christian; Uhl, Werner; Ehlers, Andreas W.; Slootweg, J. Chris; Lammertsma, Koop","Reactivity of Dimeric P/Al-Based Lewis Pairs toward Carbon Dioxide andtert-Butyl Isocyanate","Organometallics","2013","32","22","6764","","10.1021/om3011382","","","1.54178","CuKα","","0.039","0.0365","","","0.0998","0.1029","","","","","","1.077","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081716","16.945","0.003","17.225","0.003","26.033","0.005","90","","96.49","0.03","90","","7550","2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 B Cl Ge O1.5 P2 -","- C42 H38 B Cl Ge O1.5 P2 -","- C336 H304 B8 Cl8 Ge8 O12 P16 -","8","1","","Weicker, Sarah A.; Dube, Jonathan W.; Ragogna, Paul J.","Synthesis of Zwitterionic Group 14 Centered Complexes: Traditional Coordination and Unusual Insertion Chemistry","Organometallics","2013","32","22","6681","","10.1021/om400186m","","","0.71073","MoKα","","0.0606","0.043","","","0.101","0.1106","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081717","33.107","0.005","33.107","0.005","17.609","0.004","90","","90","","120","","16715","5","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C38 H34 B Cl P2 Sn -","- C38 H34 B Cl P2 Sn -","- C684 H612 B18 Cl18 P36 Sn18 -","18","1","","Weicker, Sarah A.; Dube, Jonathan W.; Ragogna, Paul J.","Synthesis of Zwitterionic Group 14 Centered Complexes: Traditional Coordination and Unusual Insertion Chemistry","Organometallics","2013","32","22","6681","","10.1021/om400186m","","","0.71073","MoKα","","0.0915","0.0496","","","0.1249","0.1432","","","","","","1.005","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081718","42.541","0.008","9.3569","0.0018","21.26","0.004","90","","94.478","0.004","90","","8437","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H46 B Ge P3 -","- C51 H46 B Ge P3 -","- C408 H368 B8 Ge8 P24 -","8","1","","Weicker, Sarah A.; Dube, Jonathan W.; Ragogna, Paul J.","Synthesis of Zwitterionic Group 14 Centered Complexes: Traditional Coordination and Unusual Insertion Chemistry","Organometallics","2013","32","22","6681","","10.1021/om400186m","","","0.71073","MoKα","","0.1554","0.075","","","0.1715","0.2065","","","","","","1.037","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081719","43.19","0.02","9.359","0.005","21.403","0.01","90","","94.947","0.009","90","","8619","7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H46 B P3 Sn -","- C51 H46 B P3 Sn -","- C408 H368 B8 P24 Sn8 -","8","1","","Weicker, Sarah A.; Dube, Jonathan W.; Ragogna, Paul J.","Synthesis of Zwitterionic Group 14 Centered Complexes: Traditional Coordination and Unusual Insertion Chemistry","Organometallics","2013","32","22","6681","","10.1021/om400186m","","","0.71073","MoKα","","0.1977","0.0735","","","0.1378","0.1806","","","","","","0.962","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081720","46.246","0.006","9.4173","0.0014","21.274","0.003","90","","111.85","0.003","90","","8600","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H49 B2 Ge P3 -","- C51 H49 B2 Ge P3 -","- C408 H392 B16 Ge8 P24 -","8","1","","Weicker, Sarah A.; Dube, Jonathan W.; Ragogna, Paul J.","Synthesis of Zwitterionic Group 14 Centered Complexes: Traditional Coordination and Unusual Insertion Chemistry","Organometallics","2013","32","22","6681","","10.1021/om400186m","","","0.71073","MoKα","","0.1133","0.0535","","","0.0962","0.1156","","","","","","1.005","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081721","46.566","0.006","9.4725","0.0012","21.352","0.003","90","","112.228","0.003","90","","8718","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H49 B2 P3 Sn -","- C51 H49 B2 P3 Sn -","- C408 H392 B16 P24 Sn8 -","8","1","","Weicker, Sarah A.; Dube, Jonathan W.; Ragogna, Paul J.","Synthesis of Zwitterionic Group 14 Centered Complexes: Traditional Coordination and Unusual Insertion Chemistry","Organometallics","2013","32","22","6681","","10.1021/om400186m","","","0.71073","MoKα","","0.1192","0.0536","","","0.0937","0.1138","","","","","","1.07","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081722","9.68","0.002","21.927","0.005","11.423","0.003","90","","103.777","0.005","90","","2354.8","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H60 B2 O2 P2 -","- C58 H60 B2 O2 P2 -","- C116 H120 B4 O4 P4 -","2","0.5","","Weicker, Sarah A.; Dube, Jonathan W.; Ragogna, Paul J.","Synthesis of Zwitterionic Group 14 Centered Complexes: Traditional Coordination and Unusual Insertion Chemistry","Organometallics","2013","32","22","6681","","10.1021/om400186m","","","0.71073","MoKα","","0.1646","0.0693","","","0.1312","0.1621","","","","","","1.02","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081723","11.2147","0.0015","11.8073","0.0015","15.117","0.002","80.64","0.007","87.175","0.006","63.311","0.005","1764","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H37 Al2 Br6 P -","- C29 H37 Al2 Br6 P -","- C58 H74 Al4 Br12 P2 -","2","1","","Ménard, Gabriel; Tran, Lina; McCahill, Jenny S. J.; Lough, Alan J.; Stephan, Douglas W.","Contrasting the Reactivity of Ethylene and Propylene with P/Al and P/B Frustrated Lewis Pairs","Organometallics","2013","32","22","6759","","10.1021/om400222w","","","0.71073","MoKα","","0.0486","0.0301","","","0.0933","0.1066","","","","","","0.752","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081724","10.9674","0.001","11.7777","0.0012","14.9368","0.0015","80.549","0.004","87.525","0.004","63.969","0.004","1709.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H37 Al2 Cl6 P -","- C29 H37 Al2 Cl6 P -","- C58 H74 Al4 Cl12 P2 -","2","1","","Ménard, Gabriel; Tran, Lina; McCahill, Jenny S. J.; Lough, Alan J.; Stephan, Douglas W.","Contrasting the Reactivity of Ethylene and Propylene with P/Al and P/B Frustrated Lewis Pairs","Organometallics","2013","32","22","6759","","10.1021/om400222w","","","0.71073","MoKα","","0.0825","0.0494","","","0.1406","0.1614","","","","","","1.006","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081725","11.611","0.004","12.081","0.004","15.584","0.005","82.234","0.011","86.866","0.011","62.2","0.01","1915.9","1.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H Al2 I6 P -","- C29 H37 Al2 I6 P -","- C58 H74 Al4 I12 P2 -","2","1","","Ménard, Gabriel; Tran, Lina; McCahill, Jenny S. J.; Lough, Alan J.; Stephan, Douglas W.","Contrasting the Reactivity of Ethylene and Propylene with P/Al and P/B Frustrated Lewis Pairs","Organometallics","2013","32","22","6759","","10.1021/om400222w","","","0.71073","MoKα","","0.0914","0.061","","","0.1943","0.2159","","","","","","1.359","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081726","11.4324","0.0007","19.0421","0.0014","20.4558","0.0014","90","","104.824","0.002","90","","4304.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H25 Al F15 P -","- C41 H25 Al F15 P -","- C164 H100 Al4 F60 P4 -","4","1","","Ménard, Gabriel; Tran, Lina; McCahill, Jenny S. J.; Lough, Alan J.; Stephan, Douglas W.","Contrasting the Reactivity of Ethylene and Propylene with P/Al and P/B Frustrated Lewis Pairs","Organometallics","2013","32","22","6759","","10.1021/om400222w","","","0.71073","MoKα","","0.0993","0.05","","","0.1138","0.1272","","","","","","0.923","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081727","9.6037","0.0015","11.2601","0.0018","15.519","0.003","100.501","0.002","91.834","0.002","95.109","0.002","1641.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 B F15 P -","- C33 H33 B F15 P -","- C66 H66 B2 F30 P2 -","2","1","","Ménard, Gabriel; Tran, Lina; McCahill, Jenny S. J.; Lough, Alan J.; Stephan, Douglas W.","Contrasting the Reactivity of Ethylene and Propylene with P/Al and P/B Frustrated Lewis Pairs","Organometallics","2013","32","22","6759","","10.1021/om400222w","","","0.71073","MoKα","","0.0991","0.0798","","","0.229","0.2505","","","","","","1.034","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081728","9.6668","0.0002","13.8796","0.0003","12.328","0.0003","90","","108.162","0.001","90","","1571.66","0.06","153","2","153","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H36 Cl2 F3 N2 O3 P S -","- C28 H36 Cl2 F3 N2 O3 P S -","- C56 H72 Cl4 F6 N4 O6 P2 S2 -","2","1","","Henne, Florian D.; Schnöckelborg, Eva-Maria; Feldmann, Kai-Oliver; Grunenberg, Jörg; Wolf, Robert; Weigand, Jan J.","Observation of a Chloride-Bridged P‒P Bond in the Phosphorus Cation [L(Cl)P(μ-Cl)P(Cl)L]+(L = NHC)","Organometallics","2013","32","22","6674","","10.1021/om4002268","","","1.54178","CuKα","","0.06","0.0543","","","0.1448","0.15","","","","","","1.081","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081729","12.9384","0.0005","29.4375","0.0011","18.4497","0.0007","90","","101.776","0.003","90","","6879.1","0.5","153","2","153","1","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C61 H84 Cl3 F3 N4 O4.5 P2 S -","- C61 H84 Cl3 F3 N4 O4.5 P2 S -","- C244 H336 Cl12 F12 N16 O18 P8 S4 -","4","1","","Henne, Florian D.; Schnöckelborg, Eva-Maria; Feldmann, Kai-Oliver; Grunenberg, Jörg; Wolf, Robert; Weigand, Jan J.","Observation of a Chloride-Bridged P‒P Bond in the Phosphorus Cation [L(Cl)P(μ-Cl)P(Cl)L]+(L = NHC)","Organometallics","2013","32","22","6674","","10.1021/om4002268","","","1.54178","CuKα","","0.061","0.0591","","","0.1579","0.1614","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081730","15.4714","0.0015","14.2669","0.0014","7.4916","0.0007","90","","90","","90","","1653.6","0.3","153","1","153","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H23 Cl Fe -","- C20 H23 Cl Fe -","- C80 H92 Cl4 Fe4 -","4","1","","Henne, Florian D.; Schnöckelborg, Eva-Maria; Feldmann, Kai-Oliver; Grunenberg, Jörg; Wolf, Robert; Weigand, Jan J.","Observation of a Chloride-Bridged P‒P Bond in the Phosphorus Cation [L(Cl)P(μ-Cl)P(Cl)L]+(L = NHC)","Organometallics","2013","32","22","6674","","10.1021/om4002268","","","0.71073","MoKα","","0.0397","0.0376","","","0.0838","0.0855","","","","","","1.038","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081731","20.774","0.0005","15.1577","0.0003","22.9277","0.0005","90","","90","","90","","7219.6","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","1","","","- C32 H40 Ge2 N2 O5 W -","- C32 H40 Ge2 N2 O5 W -","- C256 H320 Ge16 N16 O40 W8 -","8","1","","Al-Rafia, S. M. Ibrahim; Momeni, Mohammad R.; Ferguson, Michael J.; McDonald, Robert; Brown, Alex; Rivard, Eric","Stable Complexes of Parent Digermene: An Inorganic Analogue of Ethylene","Organometallics","2013","32","22","6658","","10.1021/om400361n","","","1.54178","CuKα","","0.0426","0.0387","","","0.1118","0.1184","","","","","","1.079","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081732","16.2246","0.0015","20.6128","0.0019","24.111","0.002","90","","98.941","0.001","90","","7965.6","1.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2","","","- C33 H38 Cl4 Ge2 N2 O5 W -","- C33 H38 Cl4 Ge2 N2 O5 W -","- C264 H304 Cl32 Ge16 N16 O40 W8 -","8","2","","Al-Rafia, S. M. Ibrahim; Momeni, Mohammad R.; Ferguson, Michael J.; McDonald, Robert; Brown, Alex; Rivard, Eric","Stable Complexes of Parent Digermene: An Inorganic Analogue of Ethylene","Organometallics","2013","32","22","6658","","10.1021/om400361n","","","0.71073","MoKα","","0.0685","0.0403","","","0.0851","0.0998","","","","","","1.069","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081733","13.1383","0.0005","15.3167","0.0005","18.6925","0.0006","90","","101.976","0.0004","90","","3679.7","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","3","","","- C33 H42 Ge2 N2 O5 W -","- C33 H42 Ge2 N2 O5 W -","- C132 H168 Ge8 N8 O20 W4 -","4","1","","Al-Rafia, S. M. Ibrahim; Momeni, Mohammad R.; Ferguson, Michael J.; McDonald, Robert; Brown, Alex; Rivard, Eric","Stable Complexes of Parent Digermene: An Inorganic Analogue of Ethylene","Organometallics","2013","32","22","6658","","10.1021/om400361n","","","0.71073","MoKα","","0.0336","0.026","","","0.0646","0.0675","","","","","","1.069","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081734","10.6058","0.0009","18.9964","0.0016","50.974","0.004","90","","92.106","0.001","90","","10262.9","1.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","IPrGeCl2WCO5","","","- C32 H36 Cl2 Ge N2 O5 W -","- C32 H36 Cl2 Ge N2 O5 W -","- C384 H432 Cl24 Ge12 N24 O60 W12 -","12","3","","Al-Rafia, S. M. Ibrahim; Momeni, Mohammad R.; Ferguson, Michael J.; McDonald, Robert; Brown, Alex; Rivard, Eric","Stable Complexes of Parent Digermene: An Inorganic Analogue of Ethylene","Organometallics","2013","32","22","6658","","10.1021/om400361n","","","0.71073","MoKα","","0.0745","0.0675","","","0.148","0.1509","","","","","","1.272","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081735","29.858","0.003","8.7229","0.001","30.672","0.004","90","","98.529","0.005","90","","7900.1","1.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H54 Cl6 N6 Ta2 -","- C34 H54 Cl6 N6 Ta2 -","- C272 H432 Cl48 N48 Ta16 -","8","1","","Mohammad, Adil; Olson, Justine R.; Rotsch, David A.; Bemowski, Ross D.; Swenson, Dale C.; Messerle, Louis","High- and Mid-Valent Tantalum and Mono(peralkylcyclopentadienyl)tantalum Complexes of the Bicyclic Guanidinate Hexahydropyrimidopyrimidinate","Organometallics","2013","32","21","6232","","10.1021/om400364m","","","0.71073","MoKα","","0.0423","0.0285","","","0.0574","0.0623","","","","","","1.055","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081736","9.0682","0.0014","9.328","0.0014","12.5226","0.0019","85.403","0.005","73.21","0.005","74.062","0.005","975.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 Cl2 N3 Ta -","- C18 H29 Cl2 N3 Ta -","- C36 H58 Cl4 N6 Ta2 -","2","1","","Mohammad, Adil; Olson, Justine R.; Rotsch, David A.; Bemowski, Ross D.; Swenson, Dale C.; Messerle, Louis","High- and Mid-Valent Tantalum and Mono(peralkylcyclopentadienyl)tantalum Complexes of the Bicyclic Guanidinate Hexahydropyrimidopyrimidinate","Organometallics","2013","32","21","6232","","10.1021/om400364m","","","0.71073","MoKα","","0.0584","0.046","","","0.1399","0.1472","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081737","20.708","0.003","22.603","0.003","10.6647","0.0012","90","","90","","90","","4991.8","1.1","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C7 H12 Cl4 N3 Ta -","- C7 H12 Cl4 N3 Ta -","- C112 H192 Cl64 N48 Ta16 -","16","1","","Mohammad, Adil; Olson, Justine R.; Rotsch, David A.; Bemowski, Ross D.; Swenson, Dale C.; Messerle, Louis","High- and Mid-Valent Tantalum and Mono(peralkylcyclopentadienyl)tantalum Complexes of the Bicyclic Guanidinate Hexahydropyrimidopyrimidinate","Organometallics","2013","32","21","6232","","10.1021/om400364m","","","0.71073","MoKα","","0.0581","0.0485","","","0.1085","0.1141","","","","","","1.061","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081738","10.1922","0.0011","14.6406","0.0015","25.205","0.003","90","","90","","90","","3761.1","0.7","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H24 Cl3 N6 Ta -","- C14 H24 Cl3 N6 Ta -","- C112 H192 Cl24 N48 Ta8 -","8","1","","Mohammad, Adil; Olson, Justine R.; Rotsch, David A.; Bemowski, Ross D.; Swenson, Dale C.; Messerle, Louis","High- and Mid-Valent Tantalum and Mono(peralkylcyclopentadienyl)tantalum Complexes of the Bicyclic Guanidinate Hexahydropyrimidopyrimidinate","Organometallics","2013","32","21","6232","","10.1021/om400364m","","","0.71073","MoKα","","0.0544","0.0283","","","0.0554","0.0626","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081739","8.7191","0.001","9.214","0.001","13.0122","0.0014","83.847","0.005","73.764","0.005","71.654","0.005","952.46","0.19","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H27 Cl2 N3 Ta -","- C17 H27 Cl2 N3 Ta -","- C34 H54 Cl4 N6 Ta2 -","2","1","","Mohammad, Adil; Olson, Justine R.; Rotsch, David A.; Bemowski, Ross D.; Swenson, Dale C.; Messerle, Louis","High- and Mid-Valent Tantalum and Mono(peralkylcyclopentadienyl)tantalum Complexes of the Bicyclic Guanidinate Hexahydropyrimidopyrimidinate","Organometallics","2013","32","21","6232","","10.1021/om400364m","","","0.71073","MoKα","","0.0435","0.0307","","","0.0611","0.0657","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081740","17.597","0.004","18.718","0.005","11.669","0.003","90","","124.579","0.003","90","","3164.6","1.4","153","2","153","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H88 Cl2 Co2 N4 O -","- C60 H80 Cl2 Co2 N4 O2 -","- C120 H160 Cl4 Co4 N8 O4 -","2","0.25","","Yang, Xiao-Juan; Fan, Xiaohui; Zhao, Yanxia; Wang, Xuting; Liu, Bin; Su, Ji-Hu; Dong, Qingsong; Xu, Maolin; Wu, Biao","Synthesis and Characterization of Cobalt Complexes with Radical Anionic α-Diimine Ligands","Organometallics","2013","32","23","6945","","10.1021/om4003686","","","0.71073","MoKα","","0.071","0.0664","","","0.1838","0.1892","","","","","","1.04","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081741","12.737","0.002","15.005","0.003","17.11","0.003","93.252","0.002","93.723","0.002","100.647","0.002","3199.1","1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H48 Co N2 -","- C35 H48 Co N2 -","- C140 H192 Co4 N8 -","4","2","","Yang, Xiao-Juan; Fan, Xiaohui; Zhao, Yanxia; Wang, Xuting; Liu, Bin; Su, Ji-Hu; Dong, Qingsong; Xu, Maolin; Wu, Biao","Synthesis and Characterization of Cobalt Complexes with Radical Anionic α-Diimine Ligands","Organometallics","2013","32","23","6945","","10.1021/om4003686","","","0.71073","MoKα","","0.0703","0.0567","","","0.1601","0.1721","","","","","","1.051","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081742","10.439","0.002","10.879","0.002","12.45","0.002","72.678","0.002","85.012","0.002","74.461","0.002","1300.4","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H80 Co2 N4 -","- C56 H80 Co2 N4 -","- C56 H80 Co2 N4 -","1","0.5","","Yang, Xiao-Juan; Fan, Xiaohui; Zhao, Yanxia; Wang, Xuting; Liu, Bin; Su, Ji-Hu; Dong, Qingsong; Xu, Maolin; Wu, Biao","Synthesis and Characterization of Cobalt Complexes with Radical Anionic α-Diimine Ligands","Organometallics","2013","32","23","6945","","10.1021/om4003686","","","0.71073","MoKα","","0.0444","0.0383","","","0.1156","0.1231","","","","","","1.061","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081743","9.3237","0.0005","9.2888","0.0005","23.0652","0.0016","90","","92.014","0.005","90","","1996.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 S2 Si2 -","- C20 H20 S2 Si2 -","- C80 H80 S8 Si8 -","4","1","","Mercier, Lauren G.; Piers, Warren E.; Harrington, Ross W.; Clegg, William","Benzo[b]thiophene-Fused Boron and Silicon Ladder Acenes","Organometallics","2013","32","22","6820","","10.1021/om4004187","","","0.71073","MoKα","","0.057","0.0448","","","0.1047","0.1128","","","","","","1.051","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081744","42.0009","0.0019","7.0015","0.0005","16.6326","0.0007","90","","100.706","0.004","90","","4806","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H25 B S2 Si -","- C27 H25 B S2 Si -","- C216 H200 B8 S16 Si8 -","8","2","","Mercier, Lauren G.; Piers, Warren E.; Harrington, Ross W.; Clegg, William","Benzo[b]thiophene-Fused Boron and Silicon Ladder Acenes","Organometallics","2013","32","22","6820","","10.1021/om4004187","","","1.54178","CuKα","","0.0597","0.0578","","","0.1482","0.1499","","","","","","1.087","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081745","7.56","0.002","12.147","0.003","16.785","0.004","98.151","0.003","91.567","0.003","108.005","0.003","1446.9","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H30 B2 S2 -","- C34 H30 B2 S2 -","- C68 H60 B4 S4 -","2","1","","Mercier, Lauren G.; Piers, Warren E.; Harrington, Ross W.; Clegg, William","Benzo[b]thiophene-Fused Boron and Silicon Ladder Acenes","Organometallics","2013","32","22","6820","","10.1021/om4004187","","","0.6889","synchrotron","","0.0576","0.0457","","","0.1266","0.1331","","","","","","1.095","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081746","11.9859","0.0008","10.974","0.0007","16.7187","0.0006","90","","102.097","0.003","90","","2150.2","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 B F10 N -","- C22 H20 B F10 N -","- C88 H80 B4 F40 N4 -","4","1","","Xu, Bao-Hua; Bussmann, Kathrin; Fröhlich, Roland; Daniliuc, Constantin G.; Brandenburg, Jan Gerit; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","An Enamine/HB(C6F5)2Adduct as a Dormant State in Frustrated Lewis Pair Chemistry","Organometallics","2013","32","22","6745","","10.1021/om4004225","","","1.54178","CuKα","","0.0747","0.0546","","","0.1316","0.147","","","","","","1.044","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081747","9.4611","0.0002","10.7218","0.0002","11.6021","0.0003","70.181","0.001","82.793","0.001","81.05","0.001","1090.37","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 B F10 N -","- C22 H18 B F10 N -","- C44 H36 B2 F20 N2 -","2","1","","Xu, Bao-Hua; Bussmann, Kathrin; Fröhlich, Roland; Daniliuc, Constantin G.; Brandenburg, Jan Gerit; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","An Enamine/HB(C6F5)2Adduct as a Dormant State in Frustrated Lewis Pair Chemistry","Organometallics","2013","32","22","6745","","10.1021/om4004225","","","0.71073","MoKα","","0.0648","0.0565","","","0.1309","0.1393","","","","","","1.057","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081748","14.2206","0.001","15.3184","0.0012","16.862","0.002","90","","113.912","0.007","90","","3357.9","0.6","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 B F10 N -","- C30 H24 B F10 N -","- C120 H96 B4 F40 N4 -","4","1","","Xu, Bao-Hua; Bussmann, Kathrin; Fröhlich, Roland; Daniliuc, Constantin G.; Brandenburg, Jan Gerit; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","An Enamine/HB(C6F5)2Adduct as a Dormant State in Frustrated Lewis Pair Chemistry","Organometallics","2013","32","22","6745","","10.1021/om4004225","","","1.54178","CuKα","","0.1387","0.0886","","","0.2534","0.2869","","","","","","0.967","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081749","8.8914","0.0004","21.7999","0.0005","13.4296","0.0005","90","","97.589","0.004","90","","2580.28","0.16","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 B F10 N -","- C27 H24 B F10 N -","- C108 H96 B4 F40 N4 -","4","1","","Xu, Bao-Hua; Bussmann, Kathrin; Fröhlich, Roland; Daniliuc, Constantin G.; Brandenburg, Jan Gerit; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","An Enamine/HB(C6F5)2Adduct as a Dormant State in Frustrated Lewis Pair Chemistry","Organometallics","2013","32","22","6745","","10.1021/om4004225","","","1.54178","CuKα","","0.0524","0.0464","","","0.1175","0.1229","","","","","","1.045","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081750","14.8527","0.0009","11.7383","0.0004","15.9004","0.0008","90","","95.858","0.008","90","","2757.7","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 B F10 N2 -","- C27 H27 B F10 N2 -","- C108 H108 B4 F40 N8 -","4","1","","Xu, Bao-Hua; Bussmann, Kathrin; Fröhlich, Roland; Daniliuc, Constantin G.; Brandenburg, Jan Gerit; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","An Enamine/HB(C6F5)2Adduct as a Dormant State in Frustrated Lewis Pair Chemistry","Organometallics","2013","32","22","6745","","10.1021/om4004225","","","1.54178","CuKα","","0.0568","0.0481","","","0.1278","0.1366","","","","","","1.027","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081751","10.6415","0.0002","10.9495","0.0007","11.2153","0.0007","86.286","0.003","77.514","0.003","87.659","0.003","1272.73","0.12","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 B F10 N2 -","- C27 H23 B F10 N2 -","- C54 H46 B2 F20 N4 -","2","1","","Xu, Bao-Hua; Bussmann, Kathrin; Fröhlich, Roland; Daniliuc, Constantin G.; Brandenburg, Jan Gerit; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","An Enamine/HB(C6F5)2Adduct as a Dormant State in Frustrated Lewis Pair Chemistry","Organometallics","2013","32","22","6745","","10.1021/om4004225","","","1.54178","CuKα","","0.0407","0.0397","","","0.1057","0.1068","","","","","","1.037","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081752","12.038","0.004","12.615","0.004","18.648","0.006","91.12","0.011","91.163","0.01","94.297","0.013","2822.7","1.6","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H73 Cl6 N2 O3 P Ru -","- C53 H73 Cl6 N2 O3 P Ru -","- C106 H146 Cl12 N4 O6 P2 Ru2 -","2","1","","Urbina-Blanco, César A.; Bantreil, Xavier; Wappel, Julia; Schmid, Thibault E.; Slawin, Alexandra M. Z.; Slugovc, Christian; Cazin, Catherine S. J.","Mixed N-Heterocyclic Carbene/Phosphite Ruthenium Complexes: The Effect of a Bulkier NHC.","Organometallics","2013","32","21","6240","","10.1021/om4004362","","","0.71073","MoKα","","0.1091","0.0572","","","0.0889","0.1055","","","","","","0.953","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081753","15.7148","0.0007","17.6659","0.0008","21.2613","0.001","90","","110.184","0.001","90","","5540","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H46 Mg N2 Si4 -","- C16 H46 Mg N2 Si4 -","- C128 H368 Mg8 N16 Si32 -","8","2","","Yan, KaKing; Upton, Brianna M.; Zhu, Jing; Ellern, Arkady; Sadow, Aaron D.","Nucleophilicity of Neutral versus Cationic Magnesium Silyl Compounds","Organometallics","2013","32","22","6834","","10.1021/om400447q","","","0.71073","MoKα","","0.0883","0.0613","","","0.1884","0.2122","","","","","","1.053","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081754","42.495","0.004","13.638","0.0014","19.501","0.002","90","","109.258","0.002","90","","10669.3","1.8","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Sad234","","","- C44.5 H58 B F15 Mg N2 Si4 -","- C44.5 H58 B F15 Mg N2 Si4 -","- C356 H464 B8 F120 Mg8 N16 Si32 -","8","1","","Yan, KaKing; Upton, Brianna M.; Zhu, Jing; Ellern, Arkady; Sadow, Aaron D.","Nucleophilicity of Neutral versus Cationic Magnesium Silyl Compounds","Organometallics","2013","32","22","6834","","10.1021/om400447q","","","0.71073","MoKα","","0.0877","0.0608","","","0.1438","0.1602","","","","","","1.112","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081755","11.6998","0.0014","18.478","0.002","18.553","0.002","90","","96.818","0.002","90","","3982.6","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Sad237","","","- C31 H49 B F10 Mg N2 Si4 -","- C31 H49 B F10 Mg N2 Si4 -","- C124 H196 B4 F40 Mg4 N8 Si16 -","4","1","","Yan, KaKing; Upton, Brianna M.; Zhu, Jing; Ellern, Arkady; Sadow, Aaron D.","Nucleophilicity of Neutral versus Cationic Magnesium Silyl Compounds","Organometallics","2013","32","22","6834","","10.1021/om400447q","","","0.71073","MoKα","","0.099","0.0774","","","0.2058","0.2277","","","","","","1.037","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081756","9.136","0.002","11.932","0.003","32.312","0.007","90","","95.298","0.003","90","","3507.3","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H53 I Mg N2 Si4 -","- C25 H53 I Mg N2 Si4 -","- C100 H212 I4 Mg4 N8 Si16 -","4","1","","Yan, KaKing; Upton, Brianna M.; Zhu, Jing; Ellern, Arkady; Sadow, Aaron D.","Nucleophilicity of Neutral versus Cationic Magnesium Silyl Compounds","Organometallics","2013","32","22","6834","","10.1021/om400447q","","","0.71073","MoKα","","0.0658","0.0414","","","0.0998","0.1177","","","","","","1.097","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081757","13.311","0.002","19.888","0.004","18.45","0.003","90","","109.72","0.003","90","","4597.8","1.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Sad233","","","- C38 H50 B F15 Mg N2 Si4 -","- C38 H50 B F15 Mg N2 Si4 -","- C152 H200 B4 F60 Mg4 N8 Si16 -","4","1","","Yan, KaKing; Upton, Brianna M.; Zhu, Jing; Ellern, Arkady; Sadow, Aaron D.","Nucleophilicity of Neutral versus Cationic Magnesium Silyl Compounds","Organometallics","2013","32","22","6834","","10.1021/om400447q","","","0.71073","MoKα","","0.1209","0.0505","","","0.0863","0.1072","","","","","","0.987","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081758","10.095","0.0005","12.945","0.0001","11.725","0.0006","90","","110.504","0.006","90","","1435.15","0.12","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O2 Pt -","- C14 H15 N3 O2 Pt -","- C56 H60 N12 O8 Pt4 -","4","1","","Tenne, Mario; Metz, Stefan; Münster, Ingo; Wagenblast, Gerhard; Strassner, Thomas","Phosphorescent Platinum(II) Complexes Based on C∧C* Cyclometalating Aryltriazol-5-ylidenes","Organometallics","2013","32","21","6257","","10.1021/om4004576","","","0.71073","MoKα","","0.0527","0.0251","","","0.0357","0.04","","","","","","1.042","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081759","7.317","0.0011","12.159","0.0012","16.606","0.002","90","","98.491","0.01","90","","1461.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N3 O2 Pt -","- C14 H14 Cl N3 O2 Pt -","- C56 H56 Cl4 N12 O8 Pt4 -","4","1","","Tenne, Mario; Metz, Stefan; Münster, Ingo; Wagenblast, Gerhard; Strassner, Thomas","Phosphorescent Platinum(II) Complexes Based on C∧C* Cyclometalating Aryltriazol-5-ylidenes","Organometallics","2013","32","21","6257","","10.1021/om4004576","","","0.71073","MoKα","","0.0468","0.0264","","","0.0449","0.05","","","","","","1.04","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081760","9.441","0.0006","11.2","0.0013","15.268","0.003","110.068","0.013","90.863","0.013","94.107","0.008","1511.2","0.4","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N3 O3 Pt -","- C15 H17 N3 O3 Pt -","- C60 H68 N12 O12 Pt4 -","4","2","","Tenne, Mario; Metz, Stefan; Münster, Ingo; Wagenblast, Gerhard; Strassner, Thomas","Phosphorescent Platinum(II) Complexes Based on C∧C* Cyclometalating Aryltriazol-5-ylidenes","Organometallics","2013","32","21","6257","","10.1021/om4004576","","","0.71073","MoKα","","0.0687","0.0368","","","0.0668","0.0759","","","","","","1.163","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081761","7.619","0.0016","11.477","0.0009","16.969","0.003","90","","100.464","0.014","90","","1459.1","0.4","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O4 Pt -","- C14 H14 N4 O4 Pt -","- C56 H56 N16 O16 Pt4 -","4","1","","Tenne, Mario; Metz, Stefan; Münster, Ingo; Wagenblast, Gerhard; Strassner, Thomas","Phosphorescent Platinum(II) Complexes Based on C∧C* Cyclometalating Aryltriazol-5-ylidenes","Organometallics","2013","32","21","6257","","10.1021/om4004576","","","0.71073","MoKα","","0.0356","0.0235","","","0.0534","0.0571","","","","","","1.263","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081762","10.871","0.0011","8.761","0.0008","14.973","0.0011","90","","105.962","0.007","90","","1371.1","0.2","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O2 Pt -","- C14 H15 N3 O2 Pt -","- C56 H60 N12 O8 Pt4 -","4","1","","Tenne, Mario; Metz, Stefan; Münster, Ingo; Wagenblast, Gerhard; Strassner, Thomas","Phosphorescent Platinum(II) Complexes Based on C∧C* Cyclometalating Aryltriazol-5-ylidenes","Organometallics","2013","32","21","6257","","10.1021/om4004576","","","0.71073","MoKα","","0.0405","0.0202","","","0.0342","0.0373","","","","","","1.059","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081763","10.115","0.0007","7.368","0.001","20.951","0.002","90","","98.007","0.007","90","","1546.2","0.3","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 O3 Pt -","- C15 H17 N3 O3 Pt -","- C60 H68 N12 O12 Pt4 -","4","1","","Tenne, Mario; Metz, Stefan; Münster, Ingo; Wagenblast, Gerhard; Strassner, Thomas","Phosphorescent Platinum(II) Complexes Based on C∧C* Cyclometalating Aryltriazol-5-ylidenes","Organometallics","2013","32","21","6257","","10.1021/om4004576","","","0.71073","MoKα","","0.0295","0.0209","","","0.0475","0.0508","","","","","","1.186","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081764","7.526","0.0005","12.25","0.0016","16.386","0.0008","90","","97.969","0.005","90","","1496.1","0.2","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N3 O2 Pt -","- C15 H17 N3 O2 Pt -","- C60 H68 N12 O8 Pt4 -","4","1","","Tenne, Mario; Metz, Stefan; Münster, Ingo; Wagenblast, Gerhard; Strassner, Thomas","Phosphorescent Platinum(II) Complexes Based on C∧C* Cyclometalating Aryltriazol-5-ylidenes","Organometallics","2013","32","21","6257","","10.1021/om4004576","","","0.71073","MoKα","","0.0474","0.0228","","","0.0385","0.0451","","","","","","1.001","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081765","8.7968","0.0004","9.4492","0.0005","9.4676","0.0003","84.863","0.003","62.505","0.004","63.768","0.005","619.67","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 B Cl3 N -","- C13 H9 B Cl3 N -","- C26 H18 B2 Cl6 N2 -","2","1","","Clark, Ewan R.; Ingleson, Michael J.","[(acridine)BCl2]+: A Borenium Cation That Is a Strong Boron- and Carbon-Based Lewis Acid","Organometallics","2013","32","22","6712","","10.1021/om400463r","","","1.54178","CuKα","","0.0299","0.029","","","0.0756","0.0767","","","","","","1.092","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4081766","8.4674","0.0004","12.0859","0.0011","17.607","0.002","90","","92.417","0.006","90","","1800.2","0.3","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Al Cl4 N S -","- C16 H10 Al Cl4 N S -","- C64 H40 Al4 Cl16 N4 S4 -","4","1","","Clark, Ewan R.; Ingleson, Michael J.","[(acridine)BCl2]+: A Borenium Cation That Is a Strong Boron- and Carbon-Based Lewis Acid","Organometallics","2013","32","22","6712","","10.1021/om400463r","","","0.7107","MoKα","","0.1648","0.0842","","","0.1919","0.2437","","","","","","1.025","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081767","8.6756","0.0005","9.4614","0.0005","12.0129","0.0006","83.265","0.004","89.721","0.004","65.574","0.004","890.57","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H9 Al B Cl6 N -","- C13 H9 Al B Cl6 N -","- C26 H18 Al2 B2 Cl12 N2 -","2","1","","Clark, Ewan R.; Ingleson, Michael J.","[(acridine)BCl2]+: A Borenium Cation That Is a Strong Boron- and Carbon-Based Lewis Acid","Organometallics","2013","32","22","6712","","10.1021/om400463r","","","1.54178","CuKα","","0.0473","0.0401","","","0.104","0.1082","","","","","","1.039","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081768","10.0412","0.0008","14.9099","0.0009","20.4201","0.0016","102.496","0.006","100.181","0.007","102.227","0.006","2836.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H38 Al2 B2 Cl12 N4 -","- C53 H38 Al2 B2 Cl12 N4 -","- C106 H76 Al4 B4 Cl24 N8 -","2","1","","Clark, Ewan R.; Ingleson, Michael J.","[(acridine)BCl2]+: A Borenium Cation That Is a Strong Boron- and Carbon-Based Lewis Acid","Organometallics","2013","32","22","6712","","10.1021/om400463r","","","1.54184","CuKα","","0.0975","0.0733","","","0.2219","0.2392","","","","","","1.067","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081769","10.47","0.002","12.39","0.003","22.319","0.005","103.78","0.03","93.49","0.03","108.15","0.03","2643.3","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Al B Cl6 N2 -","- C26 H18 Al B Cl6 N2 -","- C104 H72 Al4 B4 Cl24 N8 -","4","2","","Clark, Ewan R.; Ingleson, Michael J.","[(acridine)BCl2]+: A Borenium Cation That Is a Strong Boron- and Carbon-Based Lewis Acid","Organometallics","2013","32","22","6712","","10.1021/om400463r","","","0.71073","MoKα","","0.0911","0.0753","","","0.2035","0.2175","","","","","","1.084","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081770","8.2279","0.0014","15.648","0.003","19.359","0.004","71.217","0.011","85.441","0.016","80.867","0.014","2328.7","0.8","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 Cl N2 Ni -","- C26 H29 Cl N2 Ni -","- C104 H116 Cl4 N8 Ni4 -","4","2","","Martin, Anthony R.; Makida, Yusuke; Meiries, Sébastien; Slawin, Alexandra M. Z.; Nolan, Steven P.","Enhanced Activity of [Ni(NHC)CpCl] Complexes in Arylamination Catalysis","Organometallics","2013","32","21","6265","","10.1021/om4004863","","","0.71075","MoKα","","","0.0587","","","","0.1594","","","","","","0.954","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081771","12.05","0.004","23.034","0.007","14.375","0.005","90","","112.675","0.007","90","","3682","2","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H57 Cl N2 Ni -","- C40 H57 Cl N2 Ni -","- C160 H228 Cl4 N8 Ni4 -","4","1","","Martin, Anthony R.; Makida, Yusuke; Meiries, Sébastien; Slawin, Alexandra M. Z.; Nolan, Steven P.","Enhanced Activity of [Ni(NHC)CpCl] Complexes in Arylamination Catalysis","Organometallics","2013","32","21","6265","","10.1021/om4004863","","","0.71075","MoKα","","","0.0585","","","","0.1199","","","","","","0.979","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081772","13.931","0.003","15.099","0.003","15.8685","0.0018","67.474","0.008","71.963","0.009","86.713","0.01","2924.5","1","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C75 H63 Cl3 N2 Ni O2 -","- C75 H63 Cl3 N2 Ni O2 -","- C150 H126 Cl6 N4 Ni2 O4 -","2","1","","Martin, Anthony R.; Makida, Yusuke; Meiries, Sébastien; Slawin, Alexandra M. Z.; Nolan, Steven P.","Enhanced Activity of [Ni(NHC)CpCl] Complexes in Arylamination Catalysis","Organometallics","2013","32","21","6265","","10.1021/om4004863","","","0.71075","MoKα","","","0.0555","","","","0.1312","","","","","","1.018","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081773","12.8446","0.001","16.1593","0.0013","18.9313","0.0015","111.301","0.008","96.946","0.007","99.036","0.007","3547.2","0.6","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C85.5 H80.5 Cl N2 Ni -","- C85.5 H77 Cl N2 Ni -","- C171 H154 Cl2 N4 Ni2 -","2","1","","Martin, Anthony R.; Makida, Yusuke; Meiries, Sébastien; Slawin, Alexandra M. Z.; Nolan, Steven P.","Enhanced Activity of [Ni(NHC)CpCl] Complexes in Arylamination Catalysis","Organometallics","2013","32","21","6265","","10.1021/om4004863","","","0.71075","MoKα","","","0.0906","","","","0.3052","","","","","","0.902","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081774","14.088","0.005","15.275","0.004","15.529","0.006","69.14","0.03","89.2","0.04","72.69","0.03","2965","2","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C76.5 H67 Cl N2 Ni -","- C76.25 H66 Cl N2 Ni -","- C152.5 H132 Cl2 N4 Ni2 -","2","1","","Martin, Anthony R.; Makida, Yusuke; Meiries, Sébastien; Slawin, Alexandra M. Z.; Nolan, Steven P.","Enhanced Activity of [Ni(NHC)CpCl] Complexes in Arylamination Catalysis","Organometallics","2013","32","21","6265","","10.1021/om4004863","","","0.71075","MoKα","","","0.0831","","","","0.288","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081775","21.7846","0.0012","16.682","0.0009","21.6974","0.0012","90","","119.394","0.001","90","","6870","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H84 B2 Br6 N4 -","- C63 H84 B2 Br6 N4 -","- C252 H336 B8 Br24 N16 -","4","1","","Wang, Yuzhong; Abraham, Mariham Y.; Gilliard, Robert J.; Sexton, Daniel R.; Wei, Pingrong; Robinson, Gregory H.","N-Heterocyclic Olefin Stabilized Borenium Cations","Organometallics","2013","32","22","6639","","10.1021/om400539z","","","0.71073","MoKα","","0.1867","0.0847","","","0.2029","0.254","","","","","","1.093","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081776","10.7406","0.0012","15.0071","0.0017","16.4133","0.0018","64.03","0.001","89.49","0.002","83.418","0.002","2360.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H62 B Br3 N2 O2 -","- C43 H62 B Br3 N2 O2 -","- C86 H124 B2 Br6 N4 O4 -","2","1","","Wang, Yuzhong; Abraham, Mariham Y.; Gilliard, Robert J.; Sexton, Daniel R.; Wei, Pingrong; Robinson, Gregory H.","N-Heterocyclic Olefin Stabilized Borenium Cations","Organometallics","2013","32","22","6639","","10.1021/om400539z","","","0.71073","MoKα","","0.2048","0.0874","","","0.2271","0.2821","","","","","","1.068","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081777","5.9129","0.0002","29.0623","0.0013","7.8302","0.0004","90","","110.36","0.001","90","","1261.5","0.1","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 B Cl3 N2 -","- C9 H16 B Cl3 N2 -","- C36 H64 B4 Cl12 N8 -","4","1","","Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav","Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations","Organometallics","2013","32","22","6718","","10.1021/om400541q","","","0.71073","MoKα","","0.0381","0.0329","","","0.0882","0.0923","","","","","","1.05","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081778","9.2977","0.0005","11.5507","0.0007","14.2018","0.0009","74.89","0.003","87.993","0.003","85.959","0.003","1468.59","0.15","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H20 B Cl3 N2 -","- C11 H20 B Cl3 N2 -","- C44 H80 B4 Cl12 N8 -","4","2","","Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav","Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations","Organometallics","2013","32","22","6718","","10.1021/om400541q","","","0.71073","MoKα","","0.0736","0.0624","","","0.2006","0.207","","","","","","1.135","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081779","17.9389","0.0015","8.1792","0.0007","11.6638","0.0009","90","","91.457","0.002","90","","1710.8","0.2","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H48 B2 Cl6 N4 -","- C29 H48 B2 Cl6 N4 -","- C58 H96 B4 Cl12 N8 -","2","0.5","","Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav","Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations","Organometallics","2013","32","22","6718","","10.1021/om400541q","","","0.71073","MoKα","","0.0919","0.051","","","0.1234","0.1542","","","","","","1.004","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081780","15.8598","0.0012","19.3559","0.0014","19.1798","0.0013","90","","111.568","0.002","90","","5475.6","0.7","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 B Cl3 N2 -","- C27 H36 B Cl3 N2 -","- C216 H288 B8 Cl24 N16 -","8","2","","Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav","Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations","Organometallics","2013","32","22","6718","","10.1021/om400541q","","","0.71073","MoKα","","0.0775","0.0476","","","0.1139","0.1343","","","","","","1.05","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081781","8.4085","0.0007","10.5204","0.0008","8.9419","0.0008","90","","93.717","0.005","90","","789.34","0.11","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H12 Al B Cl6 N2 -","- C7 H12 Al B Cl6 N2 -","- C14 H24 Al2 B2 Cl12 N4 -","2","1","","Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav","Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations","Organometallics","2013","32","22","6718","","10.1021/om400541q","","","0.71073","MoKα","","0.0683","0.0562","","","0.1544","0.1719","","","","","","1.078","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081782","9.2582","0.0007","14.6884","0.0012","13.6933","0.0011","90","","96.359","0.002","90","","1850.7","0.3","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 Al B Cl6 N2 -","- C9 H16 Al B Cl6 N2 -","- C36 H64 Al4 B4 Cl24 N8 -","4","1","","Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav","Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations","Organometallics","2013","32","22","6718","","10.1021/om400541q","","","0.71073","MoKα","","0.0639","0.0387","","","0.0915","0.1207","","","","","","0.987","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081783","9.986","0.002","10.679","0.003","9.44","0.003","90","","90","","90","","1006.7","0.5","103","2","103","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C11 H20 Al B Cl6 N2 -","- C11 H20 Al B Cl6 N2 -","- C22 H40 Al2 B2 Cl12 N4 -","2","0.25","","Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav","Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations","Organometallics","2013","32","22","6718","","10.1021/om400541q","","","0.71073","MoKα","","0.0712","0.0542","","","0.1298","0.1366","","","","","","1.208","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081784","11.9884","0.0011","14.8209","0.001","17.7742","0.0015","90","","105.979","0.003","90","","3036.1","0.4","103","2","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 B Cl2 F3 N2 O3 S -","- C28 H36 B Cl2 F3 N2 O3 S -","- C112 H144 B4 Cl8 F12 N8 O12 S4 -","4","1","","Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav","Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations","Organometallics","2013","32","22","6718","","10.1021/om400541q","","","0.71073","MoKα","","0.0854","0.0537","","","0.1268","0.1528","","","","","","1.049","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081785","13.4034","0.0006","13.6003","0.0006","21.6148","0.001","90","","93.887","0.002","90","","3931.1","0.3","103","2","103","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H32 B2 Cl10 N2 -","- C35 H32 B2 Cl10 N2 -","- C140 H128 B8 Cl40 N8 -","4","1","","Muthaiah, Senthilkumar; Do, Dinh Cao Huan; Ganguly, Rakesh; Vidović, Dragoslav","Counterion Dependence on the Synthetic Viability of NHC-stabilized Dichloroborenium Cations","Organometallics","2013","32","22","6718","","10.1021/om400541q","","","0.71073","MoKα","","0.0512","0.041","","","0.0902","0.1162","","","","","","1.084","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081786","16.5402","0.0007","9.8646","0.0004","19.9517","0.0008","90","","91.527","0.002","90","","3254.2","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H57 Ga Ge N2 -","- C28 H57 Ga Ge N2 -","- C112 H228 Ga4 Ge4 N8 -","4","1","","Uhl, Werner; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Risthaus, Tobias","Cooperative Ge‒N Bond Activation in Hydrogallation Products of Alkynyl(diethylamino)germanes (Et2N)nGe(C≡CtBu)4‒n","Organometallics","2013","32","22","6770","","10.1021/om400543v","","","0.71073","MoKα","","0.0671","0.038","","","0.0769","0.0861","","","","","","1.018","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081787","9.7221","0.0018","10.986","0.002","17.117","0.003","90.675","0.005","97.831","0.005","98.747","0.005","1789.1","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H58 Al F Ge N -","- C33 H58 Al F Ge N -","- C66 H116 Al2 F2 Ge2 N2 -","2","1","","Uhl, Werner; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Risthaus, Tobias","Cooperative Ge‒N Bond Activation in Hydrogallation Products of Alkynyl(diethylamino)germanes (Et2N)nGe(C≡CtBu)4‒n","Organometallics","2013","32","22","6770","","10.1021/om400543v","","","0.71073","MoKα","","0.0304","0.0279","","","0.0753","0.0771","","","","","","1.035","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081788","9.832","0.004","46.476","0.019","10.747","0.004","90","","105.7","0.01","90","","4728","3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H70 F2.5 Ga2 Ge -","- C45 H70 F2.49 Ga2 Ge -","- C180 H280 F9.96 Ga8 Ge4 -","4","1","","Uhl, Werner; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Risthaus, Tobias","Cooperative Ge‒N Bond Activation in Hydrogallation Products of Alkynyl(diethylamino)germanes (Et2N)nGe(C≡CtBu)4‒n","Organometallics","2013","32","22","6770","","10.1021/om400543v","","","0.71073","MoKα","","0.069","0.046","","","0.1008","0.1099","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081789","10.494","0.0002","10.9353","0.0002","17.4479","0.0003","90.928","0.001","101.92","0.001","99.878","0.001","1927.25","0.06","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H62 Ga Ge N3 O -","- C35 H62 Ga Ge N3 O -","- C70 H124 Ga2 Ge2 N6 O2 -","2","1","","Uhl, Werner; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Risthaus, Tobias","Cooperative Ge‒N Bond Activation in Hydrogallation Products of Alkynyl(diethylamino)germanes (Et2N)nGe(C≡CtBu)4‒n","Organometallics","2013","32","22","6770","","10.1021/om400543v","","","0.71073","MoKα","","0.0314","0.0248","","","0.0607","0.0647","","","","","","1.029","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081790","11.2381","0.0006","21.1647","0.0011","16.3711","0.0008","90","","92.162","0.001","90","","3891.1","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H62 Ga Ge N3 S -","- C35 H62 Ga Ge N3 S -","- C140 H248 Ga4 Ge4 N12 S4 -","4","1","","Uhl, Werner; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Risthaus, Tobias","Cooperative Ge‒N Bond Activation in Hydrogallation Products of Alkynyl(diethylamino)germanes (Et2N)nGe(C≡CtBu)4‒n","Organometallics","2013","32","22","6770","","10.1021/om400543v","","","0.71073","MoKα","","0.0267","0.0232","","","0.0603","0.0622","","","","","","1.047","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081791","14.564","0.003","17.419","0.004","17.269","0.004","90","","98.98","0.03","90","","4327.3","1.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H75 Ga2 Ge N -","- C38 H75 Ga2 Ge N -","- C152 H300 Ga8 Ge4 N4 -","4","1","","Uhl, Werner; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Risthaus, Tobias","Cooperative Ge‒N Bond Activation in Hydrogallation Products of Alkynyl(diethylamino)germanes (Et2N)nGe(C≡CtBu)4‒n","Organometallics","2013","32","22","6770","","10.1021/om400543v","","","0.71073","MoKα","","0.0558","0.0372","","","0.0798","0.0849","","","","","","1.018","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081792","9.89","0.002","10.935","0.002","17.134","0.003","90.02","0.03","98.17","0.03","99.47","0.03","1808.7","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H56.5 F2.5 Ga Ge N -","- C33 H56.5 F2.5 Ga Ge N -","- C66 H113 F5 Ga2 Ge2 N2 -","2","1","","Uhl, Werner; Tannert, Jens; Layh, Marcus; Hepp, Alexander; Grimme, Stefan; Risthaus, Tobias","Cooperative Ge‒N Bond Activation in Hydrogallation Products of Alkynyl(diethylamino)germanes (Et2N)nGe(C≡CtBu)4‒n","Organometallics","2013","32","22","6770","","10.1021/om400543v","","","0.71073","MoKα","","0.0534","0.0429","","","0.12","0.124","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081793","38.0942","0.001","11.4367","0.0004","17.0337","0.0005","90","","90","","90","","7421.1","0.4","100","","100","","","","","","","","Synthesized by the authors. See text","7","P n a 21","P 2c -2n","33","","","","- C34 H42 F6 N4 O6 S2 Zr -","- C34 H42 F6 N4 O6 S2 Zr -","- C272 H336 F48 N32 O48 S16 Zr8 -","8","2","","El-Zoghbi, Ibrahim; Kebdani, Myriam; Whitehorne, Todd J. J.; Schaper, Frank","Selective and Nonselective Aza-Michael Additions Catalyzed by a Chiral Zirconium Bis-Diketiminate Complex","Organometallics","2013","32","23","6986","","10.1021/om400544z","","","1.54178","CuKα","","0.0847","0.0728","","","0.1882","0.2023","","","","","","1.034","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081794","13.4402","0.0004","14.0958","0.0006","15.3783","0.0005","93.628","0.003","100.148","0.003","115.006","0.003","2567.85","0.18","173","","173","","","","","","","","","4","P -1","-P 1","2","Tip2Si=SiTipTMOP","1,1,2-Tris(2,4,6-triisopropylphenyl)-2-(2,4,6-trimethoxyphenyl)disilene","","- C54 H80 O3 Si2 -","- C54 H80 O3 Si2 -","- C108 H160 O6 Si4 -","2","1","","Meltzer, Antje; Majumdar, Moumita; White, Andrew J. P.; Huch, Volker; Scheschkewitz, David","Potential Protecting Group Strategy for Disila Analogues of Vinyllithiums: Synthesis and Reactivity of a 2,4,6-Trimethoxyphenyl-Substituted Disilene","Organometallics","2013","32","22","6844","","10.1021/om400545w","","","0.71073","MoKα","","0.0679","0.051","","","0.132","0.1438","","","","","","1.035","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081795","9.4796","0.0005","11.8037","0.0006","25.1824","0.0013","90.647","0.002","98.869","0.002","111.178","0.002","2589.2","0.2","132","2","132","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H83 N O3 Si2 -","- C54 H83 N O3 Si2 -","- C108 H166 N2 O6 Si4 -","2","1","","Meltzer, Antje; Majumdar, Moumita; White, Andrew J. P.; Huch, Volker; Scheschkewitz, David","Potential Protecting Group Strategy for Disila Analogues of Vinyllithiums: Synthesis and Reactivity of a 2,4,6-Trimethoxyphenyl-Substituted Disilene","Organometallics","2013","32","22","6844","","10.1021/om400545w","","","0.71073","MoKα","","0.0542","0.0413","","","0.1029","0.1112","","","","","","1.028","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081796","18.8601","0.0009","14.1435","0.0007","19.3532","0.001","90","","90","","90","","5162.4","0.4","132","2","132","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C54 H82 O4 Si2 -","- C54 H82 O4 Si2 -","- C216 H328 O16 Si8 -","4","1","","Meltzer, Antje; Majumdar, Moumita; White, Andrew J. P.; Huch, Volker; Scheschkewitz, David","Potential Protecting Group Strategy for Disila Analogues of Vinyllithiums: Synthesis and Reactivity of a 2,4,6-Trimethoxyphenyl-Substituted Disilene","Organometallics","2013","32","22","6844","","10.1021/om400545w","","","0.71073","MoKα","","0.0544","0.0439","","","0.1051","0.1114","","","","","","1.031","","","","has coordinates","178706","2020-10-21","18:00:00",""
"4081797","11.388","0.005","13.624","0.006","19.613","0.01","77.539","0.012","73.902","0.011","82.448","0.019","2846","2","132","2","132","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H89 N O3 Si2 -","- C59 H89 N O3 Si2 -","- C118 H178 N2 O6 Si4 -","2","1","","Meltzer, Antje; Majumdar, Moumita; White, Andrew J. P.; Huch, Volker; Scheschkewitz, David","Potential Protecting Group Strategy for Disila Analogues of Vinyllithiums: Synthesis and Reactivity of a 2,4,6-Trimethoxyphenyl-Substituted Disilene","Organometallics","2013","32","22","6844","","10.1021/om400545w","","","0.71073","MoKα","","0.1158","0.0624","","","0.143","0.1718","","","","","","1.018","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081798","14.2819","0.0008","18.6759","0.001","14.4622","0.0008","90","","90.813","0.002","90","","3857.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ga(PhF)2][Al(OC(CF3)3)4]","","","- C28 H10 Al F38 Ga O4 -","- C28 H10 Al F38 Ga O4 -","- C112 H40 Al4 F152 Ga4 O16 -","4","1","","Lichtenthaler, Martin R.; Higelin, Alexander; Kraft, Anne; Hughes, Sarah; Steffani, Alberto; Plattner, Dietmar A.; Slattery, John M.; Krossing, Ingo","Univalent Gallium Salts of Weakly Coordinating Anions: Effective Initiators/Catalysts for the Synthesis of Highly Reactive Polyisobutylene","Organometallics","2013","32","22","6725","","10.1021/om4005516","","","0.71073","MoKα","","0.0725","0.0688","","","0.1965","0.1981","","","","","","1.176","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081799","10.5086","0.0003","20.9035","0.0005","20.5072","0.0005","90","","94.13","0.001","90","","4493","0.2","100","2","99.97","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Al F36 Ga O4 -","- C34 H24 Al F36 Ga O4 -","- C136 H96 Al4 F144 Ga4 O16 -","4","1","","Lichtenthaler, Martin R.; Higelin, Alexander; Kraft, Anne; Hughes, Sarah; Steffani, Alberto; Plattner, Dietmar A.; Slattery, John M.; Krossing, Ingo","Univalent Gallium Salts of Weakly Coordinating Anions: Effective Initiators/Catalysts for the Synthesis of Highly Reactive Polyisobutylene","Organometallics","2013","32","22","6725","","10.1021/om4005516","","","0.71073","MoKα","","0.0752","0.0394","","","0.0856","0.0992","","","","","","1.012","","","","has coordinates,has disorder","178706","2020-10-21","18:00:00",""
"4081800","10.3141","0.0005","10.1097","0.0006","18.1282","0.0008","90","","98.919","0.004","90","","1867.42","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 B P -","- C20 H28 B P -","- C80 H112 B4 P4 -","4","1","","Breunig, Jens Michael; Hübner, Alexander; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Reactivity of Phosphaboradibenzofulvene toward Hydrogen, Acetonitrile, Benzophenone, and 2,3-Dimethylbutadiene","Organometallics","2013","32","22","6792","","10.1021/om400553j","","","0.71073","MoKα","","0.0475","0.0371","","","0.0973","0.1013","","","","","","1.062","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081801","11.9846","0.0011","20.522","0.002","25.216","0.002","90","","91.113","0.007","90","","6200.7","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 B2 N2 P2 -","- C44 H58 B2 N2 P2 -","- C264 H348 B12 N12 P12 -","6","1.5","","Breunig, Jens Michael; Hübner, Alexander; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Reactivity of Phosphaboradibenzofulvene toward Hydrogen, Acetonitrile, Benzophenone, and 2,3-Dimethylbutadiene","Organometallics","2013","32","22","6792","","10.1021/om400553j","","","0.71073","MoKα","","0.2037","0.0911","","","0.1422","0.1756","","","","","","0.964","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081802","8.5464","0.0008","18.25","0.0016","34.363","0.003","90","","90","","90","","5359.7","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H36 B O P -","- C33 H36 B O P -","- C264 H288 B8 O8 P8 -","8","1","","Breunig, Jens Michael; Hübner, Alexander; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Reactivity of Phosphaboradibenzofulvene toward Hydrogen, Acetonitrile, Benzophenone, and 2,3-Dimethylbutadiene","Organometallics","2013","32","22","6792","","10.1021/om400553j","","","0.71073","MoKα","","0.1371","0.0667","","","0.1202","0.1432","","","","","","0.93","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081803","11.697","0.002","12.687","0.003","15.914","0.003","98.241","0.017","94.212","0.017","97.434","0.016","2307.4","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H66 B2 N2 P2 -","- C51 H66 B2 N2 P2 -","- C102 H132 B4 N4 P4 -","2","1","","Breunig, Jens Michael; Hübner, Alexander; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Reactivity of Phosphaboradibenzofulvene toward Hydrogen, Acetonitrile, Benzophenone, and 2,3-Dimethylbutadiene","Organometallics","2013","32","22","6792","","10.1021/om400553j","","","0.71073","MoKα","","0.1921","0.0717","","","0.1253","0.1639","","","","","","0.856","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081804","8.9317","0.0004","15.5573","0.0009","16.4919","0.0006","90","","92.255","0.003","90","","2289.83","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B P -","- C26 H36 B P -","- C104 H144 B4 P4 -","4","1","","Breunig, Jens Michael; Hübner, Alexander; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Reactivity of Phosphaboradibenzofulvene toward Hydrogen, Acetonitrile, Benzophenone, and 2,3-Dimethylbutadiene","Organometallics","2013","32","22","6792","","10.1021/om400553j","","","0.71073","MoKα","","0.0525","0.0407","","","0.0933","0.098","","","","","","1.08","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081805","18.5829","0.0011","20.2057","0.0012","27.4435","0.0017","90","","90.093","0.001","90","","10304.5","1.1","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C121 H136.62 Al2 N6 O1.38 -","- C121 H136.626 Al2 N6 O1.374 -","- C484 H546.504 Al8 N24 O5.496 -","4","0.5","","Myers, Thomas W.; Berben, Louise A.","Aluminum‒Amido-Mediated Heterolytic Addition of Water Affords an Alumoxane","Organometallics","2013","32","22","6647","","10.1021/om400556s","","","0.71073","MoKα","","0.0724","0.0637","","","0.1769","0.1837","","","","","","1.089","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081806","14.9583","0.0003","26.8456","0.0005","22.0759","0.0004","90","","107.032","0.001","90","","8476.1","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C65.33 H81.74 Al1.33 N4 O2 -","- C65.3333 H81.7333 Al1.33333 N4 O2 -","- C392 H490.4 Al8 N24 O12 -","6","1.5","","Myers, Thomas W.; Berben, Louise A.","Aluminum‒Amido-Mediated Heterolytic Addition of Water Affords an Alumoxane","Organometallics","2013","32","22","6647","","10.1021/om400556s","","","1.54178","CuKα","","0.0824","0.0632","","","0.1724","0.1887","","","","","","1.026","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081807","19.628","0.01","21.691","0.013","21.83","0.012","90","","90","","90","","9294","9","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C49 H71 B K N2 O7 -","- C49 H71 B K N2 O7 -","- C392 H568 B8 K8 N16 O56 -","8","1","","Kushida, Tomokatsu; Yamaguchi, Shigehiro","A Radical Anion of Structurally Constrained Triphenylborane","Organometallics","2013","32","22","6654","","10.1021/om400560u","","","0.7107","MoKa","","0.0754","0.0666","","","0.1629","0.1733","","","","","","1.096","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081808","14.3412","0.0009","15.0835","0.001","15.4859","0.001","63.172","0.001","64.138","0.001","63.839","0.001","2562.7","0.3","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H74 Cl4 N2 O5 Ti -","- C51 H74 Cl4 N2 O5 Ti -","- C102 H148 Cl8 N4 O10 Ti2 -","2","1","","Zhang, Lei; Luo, Xuyang; Gao, Wei; Zhang, Jingshun; Mu, Ying","Efficient Synthesis of Titanium Complexes Bearing Tridentate [N‒,N,O‒] Anilido-Imine Ligands and Their Catalytic Properties for Ethylene Polymerization","Organometallics","2013","32","21","6277","","10.1021/om400562p","","","0.71073","MoKα","","0.0791","0.0544","","","0.1207","0.1357","","","","","","1.016","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081809","13.7125","0.0011","24.933","0.002","9.2754","0.0008","90","","109.77","","90","","2984.3","0.4","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 Cl2 N2 O Ti -","- C31 H38 Cl2 N2 O Ti -","- C124 H152 Cl8 N8 O4 Ti4 -","4","1","","Zhang, Lei; Luo, Xuyang; Gao, Wei; Zhang, Jingshun; Mu, Ying","Efficient Synthesis of Titanium Complexes Bearing Tridentate [N‒,N,O‒] Anilido-Imine Ligands and Their Catalytic Properties for Ethylene Polymerization","Organometallics","2013","32","21","6277","","10.1021/om400562p","","","0.71073","MoKα","","0.0757","0.0477","","","0.108","0.1201","","","","","","1.013","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081810","12.7757","0.0009","13.0183","0.0009","13.8898","0.001","63.547","0.001","68.489","0.001","75.209","0.001","1912.4","0.2","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H54 Cl2 N2 O Ti -","- C41 H54 Cl2 N2 O Ti -","- C82 H108 Cl4 N4 O2 Ti2 -","2","1","","Zhang, Lei; Luo, Xuyang; Gao, Wei; Zhang, Jingshun; Mu, Ying","Efficient Synthesis of Titanium Complexes Bearing Tridentate [N‒,N,O‒] Anilido-Imine Ligands and Their Catalytic Properties for Ethylene Polymerization","Organometallics","2013","32","21","6277","","10.1021/om400562p","","","0.71073","MoKα","","0.0801","0.0635","","","0.1628","0.1786","","","","","","1.036","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081811","10.3564","0.0006","13.2157","0.0007","13.6182","0.0007","76.353","0.001","68.494","0.001","89.998","0.001","1677.44","0.16","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H44 Cl2 N2 O Ti -","- C37 H44 Cl2 N2 O Ti -","- C74 H88 Cl4 N4 O2 Ti2 -","2","1","","Zhang, Lei; Luo, Xuyang; Gao, Wei; Zhang, Jingshun; Mu, Ying","Efficient Synthesis of Titanium Complexes Bearing Tridentate [N‒,N,O‒] Anilido-Imine Ligands and Their Catalytic Properties for Ethylene Polymerization","Organometallics","2013","32","21","6277","","10.1021/om400562p","","","0.71073","MoKα","","0.0691","0.0594","","","0.1481","0.1568","","","","","","1.02","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081812","17.689","0.002","18.302","0.002","8.0223","0.0013","90","","104.653","0.012","90","","2512.7","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 B2 -","- C36 H24 B2 -","- C144 H96 B8 -","4","0.5","","Hübner, Alexander; Diehl, Andreas M.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Temperature Reactivity of the Strongly Electrophilic Pristine 9H-9-Borafluorene","Organometallics","2013","32","22","6827","","10.1021/om4005737","","","0.71073","MoKα","","0.1128","0.0677","","","0.1538","0.1752","","","","","","0.907","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081813","13.8887","0.0008","30.6508","0.0012","10.6075","0.0006","90","","90.671","0.005","90","","4515.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H46 B2 N2 -","- C58 H46 B2 N2 -","- C232 H184 B8 N8 -","4","1","","Hübner, Alexander; Diehl, Andreas M.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Temperature Reactivity of the Strongly Electrophilic Pristine 9H-9-Borafluorene","Organometallics","2013","32","22","6827","","10.1021/om4005737","","","0.71073","MoKα","","0.1101","0.0958","","","0.1896","0.1982","","","","","","1.122","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081814","21.767","0.003","22.62","0.003","14.125","0.002","90","","90","","90","","6954.7","1.7","173","2","173","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C43 H39 B2 S2 -","- C43 H39 B2 S2 -","- C344 H312 B16 S16 -","8","1","","Hübner, Alexander; Diehl, Andreas M.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Temperature Reactivity of the Strongly Electrophilic Pristine 9H-9-Borafluorene","Organometallics","2013","32","22","6827","","10.1021/om4005737","","","0.7107","MoKα","","0.1537","0.0875","","","0.133","0.1563","","","","","","0.963","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081815","8.8981","0.0006","15.4306","0.0013","9.9574","0.0007","90","","105.385","0.005","90","","1318.19","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cl2 Hg2 -","- C12 H8 Cl2 Hg2 -","- C48 H32 Cl8 Hg8 -","4","1","","Hübner, Alexander; Diehl, Andreas M.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","High-Temperature Reactivity of the Strongly Electrophilic Pristine 9H-9-Borafluorene","Organometallics","2013","32","22","6827","","10.1021/om4005737","","","0.71073","MoKα","","0.058","0.0411","","","0.092","0.096","","","","","","0.909","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081816","12.1628","0.0005","13.1118","0.0005","21.8093","0.0008","73.265","0.002","79.023","0.002","68.672","0.002","3088.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H64 Al2 N4 O6 Si -","- C78 H64 Al2 N4 O6 Si -","- C156 H128 Al4 N8 O12 Si2 -","2","1","","Pusztai, Erika; Albright, Haley; Cai, Yuanjing; Hu, Rongrong; West, Robert; Tang, Ben Zhong; Guzei, Ilia A.","Synthesis and Photophysical Properties of Two Strongly Fluorescent Bis(diquinaldinatoalumino)-9-silafluorenes","Organometallics","2013","32","23","6871","","10.1021/om4005803","","","0.71073","MoKα","","0.0754","0.0594","","","0.1469","0.1581","","","","","","1.003","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4081817","13.291","0.004","14.807","0.004","15.409","0.005","85.49","0.02","67.99","0.03","86.8","0.02","2801.6","1.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C55.39 H46.78 Al2 Cl7 N4 O6 Si -","- C55.391 H46.782 Al2 Cl7 N4 O6 Si -","- C110.782 H93.564 Al4 Cl14 N8 O12 Si2 -","2","1","","Pusztai, Erika; Albright, Haley; Cai, Yuanjing; Hu, Rongrong; West, Robert; Tang, Ben Zhong; Guzei, Ilia A.","Synthesis and Photophysical Properties of Two Strongly Fluorescent Bis(diquinaldinatoalumino)-9-silafluorenes","Organometallics","2013","32","23","6871","","10.1021/om4005803","","x-ray","0.71073","MoKα","K-L~3~","0.0965","0.0672","","","0.1655","0.1841","","","","","","0.99","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4081818","10.088","0.004","14.811","0.007","18.21","0.007","72.641","0.011","87.604","0.017","71.992","0.013","2465.9","1.8","100","","100.09","","","","","","","","","6","P -1","-P 1","2","","","","- C59 H48 Al2 N4 O6 Si -","- C59 H48 Al2 N4 O6 Si -","- C118 H96 Al4 N8 O12 Si2 -","2","1","","Pusztai, Erika; Albright, Haley; Cai, Yuanjing; Hu, Rongrong; West, Robert; Tang, Ben Zhong; Guzei, Ilia A.","Synthesis and Photophysical Properties of Two Strongly Fluorescent Bis(diquinaldinatoalumino)-9-silafluorenes","Organometallics","2013","32","23","6871","","10.1021/om4005803","","x-ray","0.71073","MoKα","K-L~3~","0.0876","0.0503","","","0.1081","0.1239","","","","","","1.032","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081819","8.4583","0.001","9.0044","0.0011","11.4501","0.0014","83.915","0.002","89.631","0.002","69.34","0.002","810.93","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","imidazole-thione complex","","","- C17 H16 N2 S3 -","- C17 H16 N2 S3 -","- C34 H32 N4 S6 -","2","1","","Karthik, Vedhagiri; Bhat, Irshad Ahmad; Anantharaman, Ganapathi","Backbone Thio-Functionalized Imidazol-2-ylidene‒Metal Complexes: Synthesis, Structure, Electronic Properties, and Catalytic Activity","Organometallics","2013","32","23","7006","","10.1021/om400585b","","","0.71073","MoKα","","0.0563","0.0452","","","0.1165","0.1443","","","","","","1.144","","","","has coordinates","213925","2020-10-21","18:00:00",""
"4081820","9.5532","0.0007","11.5477","0.0008","12.3547","0.0009","109.09","0.001","98.771","0.001","112.96","0.001","1122.84","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Molybdenum-NHC complex","","","- C22 H16 Mo N2 O5 S2 -","- C22 H16 Mo N2 O5 S2 -","- C44 H32 Mo2 N4 O10 S4 -","2","1","","Karthik, Vedhagiri; Bhat, Irshad Ahmad; Anantharaman, Ganapathi","Backbone Thio-Functionalized Imidazol-2-ylidene‒Metal Complexes: Synthesis, Structure, Electronic Properties, and Catalytic Activity","Organometallics","2013","32","23","7006","","10.1021/om400585b","","","0.71073","MoKα","","0.0463","0.037","","","0.0801","0.1061","","","","","","1.159","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081821","10.557","0.004","11.625","0.004","19.462","0.007","90","","90","","90","","2388.5","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Iridium-NHC complex","","","- C50 H56 Cl2 Ir2 N4 S4 -","- C50 H56 Cl2 Ir2 N4 S4 -","- C100 H112 Cl4 Ir4 N8 S8 -","2","0.5","","Karthik, Vedhagiri; Bhat, Irshad Ahmad; Anantharaman, Ganapathi","Backbone Thio-Functionalized Imidazol-2-ylidene‒Metal Complexes: Synthesis, Structure, Electronic Properties, and Catalytic Activity","Organometallics","2013","32","23","7006","","10.1021/om400585b","","","0.71073","MoKα","","0.0442","0.0405","","","0.0939","0.0957","","","","","","1.072","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081822","5.8012","0.0008","21.478","0.003","14.2996","0.0019","90","","94.056","0.002","90","","1777.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Palladium-NHC complex","","","- C34 H32 I2 N4 Pd S4 -","- C34 H32 I2 N4 Pd S4 -","- C68 H64 I4 N8 Pd2 S8 -","2","0.5","","Karthik, Vedhagiri; Bhat, Irshad Ahmad; Anantharaman, Ganapathi","Backbone Thio-Functionalized Imidazol-2-ylidene‒Metal Complexes: Synthesis, Structure, Electronic Properties, and Catalytic Activity","Organometallics","2013","32","23","7006","","10.1021/om400585b","","","0.71073","MoKα","","0.0412","0.0329","","","0.0746","0.079","","","","","","1.067","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081823","20.7129","0.0004","18.2028","0.0003","20.659","0.0004","90","","100.424","0.001","90","","7660.6","0.2","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H55 Al Au Cl2 P3 -","- C36.5 H55 Al Au Cl2 P3 -","- C292 H440 Al8 Au8 Cl16 P24 -","8","2","","Sircoglou, Marie; Saffon, Nathalie; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Activation of M‒Cl Bonds with Phosphine‒Alanes: Preparation and Characterization of Zwitterionic Gold and Copper Complexes","Organometallics","2013","32","22","6780","","10.1021/om4005884","","","0.71073","MoKα","","0.0414","0.0306","","","0.0671","0.0709","","","","","","1.102","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081824","20.6742","0.0007","18.1957","0.0007","20.4797","0.0007","90","","100.112","0.002","90","","7584.4","0.5","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H55 Al Cl2 Cu P3 -","- C36.5 H55 Al Cl2 Cu P3 -","- C292 H440 Al8 Cl16 Cu8 P24 -","8","2","","Sircoglou, Marie; Saffon, Nathalie; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Activation of M‒Cl Bonds with Phosphine‒Alanes: Preparation and Characterization of Zwitterionic Gold and Copper Complexes","Organometallics","2013","32","22","6780","","10.1021/om4005884","","","0.71073","MoKα","","0.187","0.0571","","","0.0927","0.1331","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081825","12.5036","0.0003","20.3451","0.0004","13.3152","0.0003","90","","113.894","0.001","90","","3096.92","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 Al Cl4 Cu P2 -","- C25 H38 Al Cl4 Cu P2 -","- C100 H152 Al4 Cl16 Cu4 P8 -","4","1","","Sircoglou, Marie; Saffon, Nathalie; Miqueu, Karinne; Bouhadir, Ghenwa; Bourissou, Didier","Activation of M‒Cl Bonds with Phosphine‒Alanes: Preparation and Characterization of Zwitterionic Gold and Copper Complexes","Organometallics","2013","32","22","6780","","10.1021/om4005884","","","0.71073","MoKα","","0.0655","0.0396","","","0.0843","0.0959","","","","","","1.017","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081826","9.09","0.02","19.06","0.03","18.03","0.02","90","","91.52","0.04","90","","3123","9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H41 B Si -","- C40 H41 B Si -","- C160 H164 B4 Si4 -","4","1","","Braunschweig, Holger; Damme, Alexander; Hörl, Christian; Kupfer, Thomas; Wahler, Johannes","Si‒H Bond Activation at the Boron Center of Pentaphenylborole","Organometallics","2013","32","22","6800","","10.1021/om4005934","","","0.71073","MoKα","","0.0737","0.0445","","","0.0945","0.1068","","","","","","1.017","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081827","21.6102","0.0014","19.7073","0.0012","30.494","0.0018","90","","101.515","0.002","90","","12725.4","1.4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C40 H41 B Si -","- C40 H41 B Si -","- C640 H656 B16 Si16 -","16","4","","Braunschweig, Holger; Damme, Alexander; Hörl, Christian; Kupfer, Thomas; Wahler, Johannes","Si‒H Bond Activation at the Boron Center of Pentaphenylborole","Organometallics","2013","32","22","6800","","10.1021/om4005934","","","0.71073","MoKα","","0.0529","0.0482","","","0.1326","0.1388","","","","","","1.049","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081828","10.4462","0.0009","12.4572","0.0009","14.0885","0.0011","87.823","0.009","89.489","0.01","87.799","0.009","1830.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H58 Br2 Ni2 -","- C34 H58 Br2 Ni2 -","- C68 H116 Br4 Ni4 -","2","1","","Schär, Marion; Saurenz, Dirk; Zimmer, Frank; Schädlich, Ina; Wolmershäuser, Gotthelf; Demeshko, Serhiy; Meyer, Franc; Sitzmann, Helmut; Heigl, Oliver M.; Köhler, Frank H.","Paramagnetic 18-Valence-Electron Alkylcyclopentadienylnickel(II) Bromide Dimers","Organometallics","2013","32","21","6298","","10.1021/om400606t","","","0.71073","MoKα","","0.0883","0.0538","","","0.1337","0.1446","","","","","","1.053","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081829","23.019","0.003","17.875","0.002","17.0427","0.0019","90","","118.094","0.001","90","","6186.2","1.3","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H17 Cl Fe2 O8 P2 -","- C30.503 H17.006 Cl1.006 Fe2 O8 P2 -","- C244.024 H136.048 Cl8.048 Fe16 O64 P16 -","8","1","","Teramoto, Yuichi; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","Formation of a Hexacarbonyl Diiron Complex Having a Naphthalene-1,8-bis(phenylphosphido) Bridge and the Electrochemical Behavior of Its Derivatives","Organometallics","2013","32","23","7014","","10.1021/om4006142","","","0.71073","MoKα","","0.0486","0.0359","","","0.0862","0.0929","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081830","8.9116","0.0003","12.2485","0.0004","12.8319","0.0005","85.5567","0.0009","75.4935","0.0009","71.5005","0.0008","1285.92","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H16 Fe2 O6 P2 -","- C28 H16 Fe2 O6 P2 -","- C56 H32 Fe4 O12 P4 -","2","1","","Teramoto, Yuichi; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","Formation of a Hexacarbonyl Diiron Complex Having a Naphthalene-1,8-bis(phenylphosphido) Bridge and the Electrochemical Behavior of Its Derivatives","Organometallics","2013","32","23","7014","","10.1021/om4006142","","","0.71075","MoKα","","0.0271","0.0237","","","0.0572","0.0588","","","","","","1.061","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081831","11.5831","0.0006","12.0343","0.0006","19.0285","0.0009","76.514","0.001","75.655","0.001","62.313","0.001","2253.9","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H40 Fe2 O6 P4 -","- C53 H40 Fe2 O6 P4 -","- C106 H80 Fe4 O12 P8 -","2","1","","Teramoto, Yuichi; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","Formation of a Hexacarbonyl Diiron Complex Having a Naphthalene-1,8-bis(phenylphosphido) Bridge and the Electrochemical Behavior of Its Derivatives","Organometallics","2013","32","23","7014","","10.1021/om4006142","","","0.71073","MoKα","","0.0297","0.0268","","","0.0711","0.0732","","","","","","1.028","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081832","10.9048","0.0009","15.866","0.0013","12.1558","0.001","90","","101.82","0.001","90","","2058.5","0.3","173","","173","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C48 H32 Fe2 O4 P4 -","- C48 H32 Fe2 O4 P4 -","- C96 H64 Fe4 O8 P8 -","2","0.5","","Teramoto, Yuichi; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu","Formation of a Hexacarbonyl Diiron Complex Having a Naphthalene-1,8-bis(phenylphosphido) Bridge and the Electrochemical Behavior of Its Derivatives","Organometallics","2013","32","23","7014","","10.1021/om4006142","","","0.71073","MoKα","","0.0426","0.0331","","","0.0813","0.0867","","","","","","1.045","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081833","11.1196","0.0004","11.262","0.0003","13.9387","0.0004","90","","90","","90","","1745.53","0.09","200","2","200","2","","","","","","","synthesized by the authors","4","I 2 2 2","I 2 2","23","","","","- C40 H60 O Ti2 -","- C40 H60 O Ti2 -","- C80 H120 O2 Ti4 -","2","0.25","","Pinkas, Jiří; Císařová, Ivana; Gyepes, Róbert; Kubišta, Jiří; Horáček, Michal; Mach, Karel","Synthesis and Structure of Titanium(III) Bis(decamethyltitanocene) Oxide","Organometallics","2013","32","21","6306","","10.1021/om400624y","","","0.71073","MoKα","","0.0226","0.0219","","","0.0615","0.0619","","","","","","1.091","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4081834","10.7036","0.0005","6.471","0.0003","13.7388","0.0006","90","","111.194","0.001","90","","887.23","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cl O2 Ru -","- C8 H9 Cl O2 Ru -","- C32 H36 Cl4 O8 Ru4 -","4","1","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.0286","0.0204","","","0.0429","0.0457","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081835","14.8399","0.0003","11.5128","0.0003","17.2596","0.0004","90","","107.565","0.001","90","","2811.3","0.11","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H34 F6 Ir N2 P -","- C28 H34 F6 Ir N2 P -","- C112 H136 F24 Ir4 N8 P4 -","4","2","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.0455","0.0262","","","0.0526","0.0577","","","","","","0.995","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081836","14.8149","0.0014","11.5322","0.0013","17.1881","0.0013","90","","107.475","0.002","90","","2801","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H34 F6 N2 P Rh -","- C28 H34 F6 N2 P Rh -","- C112 H136 F24 N8 P4 Rh4 -","4","2","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.1161","0.0496","","","0.0802","0.0962","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081837","15.0485","0.0005","12.6827","0.0005","11.7123","0.0003","90","","101.188","0.002","90","","2192.88","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Cl4 N2 Rh -","- C20 H25 Cl4 N2 Rh -","- C80 H100 Cl16 N8 Rh4 -","4","1","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.0536","0.0369","","","0.1001","0.1191","","","","","","1.12","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081838","8.3296","0.0001","27.2674","0.0007","11.157","0.0003","90","","93.098","0.002","90","","2530.35","0.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 Cl Ir N2 -","- C23 H30 Cl Ir N2 -","- C92 H120 Cl4 Ir4 N8 -","4","2","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.0774","0.0613","","","0.1557","0.1668","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081839","8.528","0.0003","27.5929","0.0006","11.1085","0.0003","90","","94.405","0.001","90","","2606.24","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 Cl4 N2 Rh -","- C24 H31 Cl4 N2 Rh -","- C96 H124 Cl16 N8 Rh4 -","4","2","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.1261","0.0974","","","0.2189","0.2459","","","","","","1.091","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081840","12.9999","0.0004","13.803","0.0004","15.2522","0.0003","90","","90","","90","","2736.82","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Cl Ir N2 -","- C31 H32 Cl Ir N2 -","- C124 H128 Cl4 Ir4 N8 -","4","1","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.0457","0.0355","","","0.0786","0.1037","","","","","","1.203","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081841","20.5199","0.0014","20.5199","0.0014","11.4954","0.001","90","","90","","120","","4191.8","0.5","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C31 H32 Cl N2 Rh -","- C31 H32 Cl N2 Rh -","- C186 H192 Cl6 N12 Rh6 -","6","1","","Féghali, Elias; Barloy, Laurent; Issenhuth, Jean-Thomas; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Cyclometalation of (2R,5R)-2,5-Diphenylpyrrolidine and 2-Phenyl-2-imidazoline Ligands with Half-Sandwich Iridium(III) and Rhodium(III) Complexes","Organometallics","2013","32","21","6186","","10.1021/om400626m","","","0.71073","MoKα","","0.16","0.1099","","","0.1575","0.1716","","","","","","1.116","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081842","15.0485","0.0005","12.6827","0.0005","11.7123","0.0003","90","","101.188","0.002","90","","2192.88","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Cl4 N2 Rh -","- C20 H25 Cl4 N2 Rh -","- C80 H100 Cl16 N8 Rh4 -","4","1","","Barloy, Laurent; Féghali, Elias; Henry, Marc; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Serendipitous Self-Assembly of Cyclometalated Complexes through Hydrogen Bonds: Dimers or Chains within Compact or Porous Networks","Organometallics","2013","32","21","6195","","10.1021/om400627v","","","0.71073","MoKα","","0.0536","0.0369","","","0.1001","0.1191","","","","","","1.12","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081843","8.3296","0.0001","27.2674","0.0007","11.157","0.0003","90","","93.098","0.002","90","","2530.35","0.1","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H30 Cl Ir N2 -","- C23 H30 Cl Ir N2 -","- C92 H120 Cl4 Ir4 N8 -","4","2","","Barloy, Laurent; Féghali, Elias; Henry, Marc; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Serendipitous Self-Assembly of Cyclometalated Complexes through Hydrogen Bonds: Dimers or Chains within Compact or Porous Networks","Organometallics","2013","32","21","6195","","10.1021/om400627v","","","0.71073","MoKα","","0.0774","0.0613","","","0.1557","0.1668","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081844","8.528","0.0003","27.5929","0.0006","11.1085","0.0003","90","","94.405","0.001","90","","2606.24","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H31 Cl4 N2 Rh -","- C24 H31 Cl4 N2 Rh -","- C96 H124 Cl16 N8 Rh4 -","4","2","","Barloy, Laurent; Féghali, Elias; Henry, Marc; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Serendipitous Self-Assembly of Cyclometalated Complexes through Hydrogen Bonds: Dimers or Chains within Compact or Porous Networks","Organometallics","2013","32","21","6195","","10.1021/om400627v","","","0.71073","MoKα","","0.1261","0.0974","","","0.2189","0.2459","","","","","","1.091","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081845","12.9999","0.0004","13.803","0.0004","15.2522","0.0003","90","","90","","90","","2736.82","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Cl Ir N2 -","- C31 H32 Cl Ir N2 -","- C124 H128 Cl4 Ir4 N8 -","4","1","","Barloy, Laurent; Féghali, Elias; Henry, Marc; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Serendipitous Self-Assembly of Cyclometalated Complexes through Hydrogen Bonds: Dimers or Chains within Compact or Porous Networks","Organometallics","2013","32","21","6195","","10.1021/om400627v","","","0.71073","MoKα","","0.0457","0.0355","","","0.0786","0.1037","","","","","","1.203","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081846","20.5199","0.0014","20.5199","0.0014","11.4954","0.001","90","","90","","120","","4191.8","0.5","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C31 H32 Cl N2 Rh -","- C31 H32 Cl N2 Rh -","- C186 H192 Cl6 N12 Rh6 -","6","1","","Barloy, Laurent; Féghali, Elias; Henry, Marc; Karmazin-Brelot, Lydia; Bailly, Corinne; Pfeffer, Michel","Serendipitous Self-Assembly of Cyclometalated Complexes through Hydrogen Bonds: Dimers or Chains within Compact or Porous Networks","Organometallics","2013","32","21","6195","","10.1021/om400627v","","","0.71073","MoKα","","0.16","0.1099","","","0.1575","0.1716","","","","","","1.116","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081847","12.2338","0.0002","33.7372","0.0006","16.2957","0.0003","90","","91.596","0.002","90","","6723.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C61 H51 Al B11 Cl11 D12 O2 -","- C61 H51 Al B11 Cl11 D12 O2 -","- C244 H204 Al4 B44 Cl44 D48 O8 -","4","2","","Wehmschulte, Rudolf J.; Saleh, Mahmoud; Powell, Douglas R.","CO2Activation with Bulky Neutral and Cationic Phenoxyalanes","Organometallics","2013","32","22","6812","","10.1021/om400628z","","","0.71073","MoKα","","0.049","0.0454","","","0.1194","0.1233","","","","","","1.006","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4081848","19.684","0.001","13.6657","0.0007","19.9586","0.001","90","","94.708","0.002","90","","5350.7","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C67 H66 Al O5 P -","- C67 H66 Al O5 P -","- C268 H264 Al4 O20 P4 -","4","1","","Wehmschulte, Rudolf J.; Saleh, Mahmoud; Powell, Douglas R.","CO2Activation with Bulky Neutral and Cationic Phenoxyalanes","Organometallics","2013","32","22","6812","","10.1021/om400628z","","","0.71073","MoKα","","0.0472","0.0414","","","0.1043","0.1089","","","","","","0.996","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4081849","14.1671","0.0003","20.0121","0.0005","9.5338","0.0002","90","","90","","90","","2702.96","0.11","85","2","85","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C10 H14 B12 Cl11 N -","- C10 H14 B12 Cl11 N -","- C40 H56 B48 Cl44 N4 -","4","0.5","","Prokofjevs, Aleksandrs; Jermaks, Janis; Borovika, Alina; Kampf, Jeff W.; Vedejs, Edwin","Electrophilic C‒H Borylation and Related Reactions of B‒H Boron Cations","Organometallics","2013","32","22","6701","","10.1021/om400651p","","","0.71073","MoKα","","0.057","0.0398","","","0.0923","0.1005","","","","","","1.039","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081850","6.0015","0.0002","10.1798","0.0002","13.9479","0.0003","80.093","0.0006","88.3963","0.0006","85.7197","0.0006","836.99","0.04","85","2","85","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H30 B N -","- C18 H30 B N -","- C36 H60 B2 N2 -","2","1","","Prokofjevs, Aleksandrs; Jermaks, Janis; Borovika, Alina; Kampf, Jeff W.; Vedejs, Edwin","Electrophilic C‒H Borylation and Related Reactions of B‒H Boron Cations","Organometallics","2013","32","22","6701","","10.1021/om400651p","","","0.71073","MoKα","","0.0587","0.0474","","","0.1235","0.1339","","","","","","1.04","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081851","20.341","0.003","6.1762","0.0009","19.118","0.004","90","","91.547","0.018","90","","2400.9","0.7","85","2","85","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 B N -","- C14 H20 B N -","- C112 H160 B8 N8 -","8","1","","Prokofjevs, Aleksandrs; Jermaks, Janis; Borovika, Alina; Kampf, Jeff W.; Vedejs, Edwin","Electrophilic C‒H Borylation and Related Reactions of B‒H Boron Cations","Organometallics","2013","32","22","6701","","10.1021/om400651p","","","0.71073","MoKα","","0.064","0.0518","","","0.1338","0.1455","","","","","","1.043","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081852","9.8534","0.0002","13.3759","0.0003","14.4473","0.0004","90","","108.745","0.001","90","","1803.13","0.07","193","2","193","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C39 H44 Ni P2 Ru S2 -","- C39 H44 Ni P2 Ru S2 -","- C78 H88 Ni2 P4 Ru2 S4 -","2","1","","Chambers, Geoffrey M.; Angamuthu, Raja; Gray, Danielle L.; Rauchfuss, Thomas B.","Organo Ruthenium‒Nickel Dithiolates with Redox-Responsive Nickel Sites","Organometallics","2013","32","21","6324","","10.1021/om4006824","","","1.54178","CuKα","","0.0231","0.0227","","","0.0554","0.0556","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081853","27.436","0.0009","18.9405","0.0007","18.6196","0.0006","90","","121.666","0.001","90","","8235.2","0.5","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C81 H98 Cl4 Ni2 O3 P4 Ru2 S4 -","- C81 H94 Cl4 Ni2 O3 P4 Ru2 S4 -","- C324 H376 Cl16 Ni8 O12 P16 Ru8 S16 -","4","0.5","","Chambers, Geoffrey M.; Angamuthu, Raja; Gray, Danielle L.; Rauchfuss, Thomas B.","Organo Ruthenium‒Nickel Dithiolates with Redox-Responsive Nickel Sites","Organometallics","2013","32","21","6324","","10.1021/om4006824","","","1.54178","CuKα","","0.0495","0.042","","","0.1156","0.1226","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081854","12.3813","0.0015","16.484","0.002","18.511","0.002","102.366","0.001","103.852","0.001","92.997","0.001","3561.6","0.7","188","2","188","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H57 B F24 Ni P2 Ru S2 -","- C71 H57 B F24 Ni P2 Ru S2 -","- C142 H114 B2 F48 Ni2 P4 Ru2 S4 -","2","1","","Chambers, Geoffrey M.; Angamuthu, Raja; Gray, Danielle L.; Rauchfuss, Thomas B.","Organo Ruthenium‒Nickel Dithiolates with Redox-Responsive Nickel Sites","Organometallics","2013","32","21","6324","","10.1021/om4006824","","","0.71073","MoKα","","0.0535","0.041","","","0.1003","0.1082","","","","","","1.029","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081855","14.946","0.003","10.525","0.002","24.884","0.005","90","","93.216","0.003","90","","3908.3","1.3","181","2","181.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H68 Ni P2 Ru S2 -","- C39 H68 Ni P2 Ru S2 -","- C156 H272 Ni4 P8 Ru4 S8 -","4","1","","Chambers, Geoffrey M.; Angamuthu, Raja; Gray, Danielle L.; Rauchfuss, Thomas B.","Organo Ruthenium‒Nickel Dithiolates with Redox-Responsive Nickel Sites","Organometallics","2013","32","21","6324","","10.1021/om4006824","","","0.71073","MoKα","","0.1082","0.0612","","","0.128","0.1429","","","","","","1.069","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081856","11.3006","0.0002","19.976","0.0003","13.2786","0.0002","90","","90.086","0.001","90","","2997.52","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 B F4 N2 P -","- C35 H44 B F4 N2 P -","- C140 H176 B4 F16 N8 P4 -","4","1","","Wheaton, Craig A.; Bow, John-Paul J.; Stradiotto, Mark","New Phosphine-Functionalized NHC Ligands: Discovery of an Effective Catalyst for the Room-Temperature Amination of Aryl Chlorides with Primary and Secondary Amines","Organometallics","2013","32","21","6148","","10.1021/om400684n","","","1.54178","CuKα","","0.041","0.0398","","","0.1071","0.1083","","","","","","1.043","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081857","10.6353","0.0001","13.9417","0.0002","14.0006","0.0002","100.168","0.001","100.558","0.001","97.889","0.001","1977.63","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H62 B F4 N2 O P -","- C43 H62 B F4 N2 O P -","- C86 H124 B2 F8 N4 O2 P2 -","2","1","","Wheaton, Craig A.; Bow, John-Paul J.; Stradiotto, Mark","New Phosphine-Functionalized NHC Ligands: Discovery of an Effective Catalyst for the Room-Temperature Amination of Aryl Chlorides with Primary and Secondary Amines","Organometallics","2013","32","21","6148","","10.1021/om400684n","","","1.54178","CuKα","","0.0478","0.0448","","","0.1266","0.1297","","","","","","1.057","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081858","8.605","0.0005","14.4373","0.0008","21.6605","0.0012","90","","90","","90","","2690.9","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 B F4 N O P -","- C27 H37 B F4 N O P -","- C108 H148 B4 F16 N4 O4 P4 -","4","1","","Wheaton, Craig A.; Bow, John-Paul J.; Stradiotto, Mark","New Phosphine-Functionalized NHC Ligands: Discovery of an Effective Catalyst for the Room-Temperature Amination of Aryl Chlorides with Primary and Secondary Amines","Organometallics","2013","32","21","6148","","10.1021/om400684n","","","0.71073","MoKα","","0.05","0.0414","","","0.1098","0.116","","","","","","1.062","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081859","12.8487","0.0004","13.8907","0.0004","34.2663","0.0009","90","","90","","90","","6115.8","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H44 B F4 N2 P -","- C31 H44 B F4 N2 P -","- C248 H352 B8 F32 N16 P8 -","8","1","","Wheaton, Craig A.; Bow, John-Paul J.; Stradiotto, Mark","New Phosphine-Functionalized NHC Ligands: Discovery of an Effective Catalyst for the Room-Temperature Amination of Aryl Chlorides with Primary and Secondary Amines","Organometallics","2013","32","21","6148","","10.1021/om400684n","","","1.54178","CuKα","","0.0678","0.051","","","0.132","0.148","","","","","","1.013","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081860","20.1813","0.0016","15.9646","0.0012","9.3","0.0007","90","","102.723","0.001","90","","2922.8","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 B N O2 -","- C15 H24 B N O2 -","- C120 H192 B8 N8 O16 -","8","2","","Harlow, Gregory P.; Zakharov, Lev N.; Wu, Gang; Liu, Shih-Yuan","Thermodynamically Controlled, Dynamic Binding of Diols to a 1,2-BN Cyclohexane Derivative","Organometallics","2013","32","22","6650","","10.1021/om400697r","","","0.71073","MoKα","","0.0492","0.0399","","","0.0996","0.108","","","","","","1.026","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081861","9.1549","0.0019","9.369","0.002","9.411","0.002","63.308","0.003","78.812","0.004","61.103","0.003","631.1","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 B N O2 -","- C13 H20 B N O2 -","- C26 H40 B2 N2 O4 -","2","1","","Harlow, Gregory P.; Zakharov, Lev N.; Wu, Gang; Liu, Shih-Yuan","Thermodynamically Controlled, Dynamic Binding of Diols to a 1,2-BN Cyclohexane Derivative","Organometallics","2013","32","22","6650","","10.1021/om400697r","","","0.71073","MoKα","","0.0691","0.0497","","","0.126","0.1423","","","","","","1.011","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081862","9.1581","0.0004","17.0898","0.0008","9.3556","0.0004","90","","112.074","0.001","90","","1356.92","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 B N O2 -","- C14 H22 B N O2 -","- C56 H88 B4 N4 O8 -","4","1","","Harlow, Gregory P.; Zakharov, Lev N.; Wu, Gang; Liu, Shih-Yuan","Thermodynamically Controlled, Dynamic Binding of Diols to a 1,2-BN Cyclohexane Derivative","Organometallics","2013","32","22","6650","","10.1021/om400697r","","","0.71073","MoKα","","0.0583","0.057","","","0.1284","0.1292","","","","","","1.086","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081863","5.4754","0.0006","11.9363","0.0013","27.308","0.003","90","","94.034","0.002","90","","1780.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 B F3 N O5 S -","- C14 H21 B F3 N O5 S -","- C56 H84 B4 F12 N4 O20 S4 -","4","1","","Harlow, Gregory P.; Zakharov, Lev N.; Wu, Gang; Liu, Shih-Yuan","Thermodynamically Controlled, Dynamic Binding of Diols to a 1,2-BN Cyclohexane Derivative","Organometallics","2013","32","22","6650","","10.1021/om400697r","","","0.71073","MoKα","","0.071","0.0423","","","0.0969","0.1101","","","","","","1.036","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081864","5.294","0.0005","12.1478","0.0012","28.785","0.003","90","","90","","90","","1851.2","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 B F3 N O5 S -","- C15 H23 B F3 N O5 S -","- C60 H92 B4 F12 N4 O20 S4 -","4","1","","Harlow, Gregory P.; Zakharov, Lev N.; Wu, Gang; Liu, Shih-Yuan","Thermodynamically Controlled, Dynamic Binding of Diols to a 1,2-BN Cyclohexane Derivative","Organometallics","2013","32","22","6650","","10.1021/om400697r","","","0.71073","MoKα","","0.0399","0.0334","","","0.075","0.0779","","","","","","1.042","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081865","17.0834","0.0007","8.5539","0.0003","20.936","0.0009","90","","109.317","0.001","90","","2887.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Moris-303 (Naveen)","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C128 H144 N16 O16 -","8","2","","Elkin, Tatyana; Kulkarni, Naveen V.; Tumanskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Synthesis and Structure of Group 4 Symmetric Amidinate Complexes and Their Reactivity in the Polymerization of α-Olefins","Organometallics","2013","32","21","6337","","10.1021/om4006998","","","0.71073","MoKα","","0.0729","0.0485","","","0.1464","0.1607","","","","","","1.041","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081866","17.6866","0.0005","8.5898","0.0002","21.4512","0.0006","90","","105.985","0.001","90","","3132.95","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Moris-310 (Naveen)","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C136 H160 N16 O16 -","8","2","","Elkin, Tatyana; Kulkarni, Naveen V.; Tumanskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Synthesis and Structure of Group 4 Symmetric Amidinate Complexes and Their Reactivity in the Polymerization of α-Olefins","Organometallics","2013","32","21","6337","","10.1021/om4006998","","","0.71073","MoKα","","0.0526","0.041","","","0.1232","0.1332","","","","","","0.779","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081867","11.2498","0.0001","15.8321","0.0001","19.7913","0.0002","106.551","0.0006","93.934","0.0005","106.914","0.0008","3188.38","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H53 N5 Ti -","- C31 H53 N5 Ti -","- C124 H212 N20 Ti4 -","4","2","","Elkin, Tatyana; Kulkarni, Naveen V.; Tumanskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Synthesis and Structure of Group 4 Symmetric Amidinate Complexes and Their Reactivity in the Polymerization of α-Olefins","Organometallics","2013","32","21","6337","","10.1021/om4006998","","","0.71073","MoKα","","0.0685","0.0471","","","0.1269","0.1419","","","","","","1.027","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081868","11.4964","0.0005","14.7129","0.0007","17.2314","0.0008","91.371","0.002","107.04","0.002","108.593","0.002","2619","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H41 N5 Ti -","- C25 H41 N5 Ti -","- C100 H164 N20 Ti4 -","4","2","","Elkin, Tatyana; Kulkarni, Naveen V.; Tumanskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Synthesis and Structure of Group 4 Symmetric Amidinate Complexes and Their Reactivity in the Polymerization of α-Olefins","Organometallics","2013","32","21","6337","","10.1021/om4006998","","","0.71073","MoKα","","0.049","0.0354","","","0.0842","0.0901","","","","","","1.02","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081869","8.7701","0.0016","11.829","0.002","13.774","0.003","100.978","0.004","92.618","0.004","91.656","0.004","1400.3","0.5","240","2","240","2","","","","","","","","4","P -1","-P 1","2","Moris-269 (Naveen)","","","- C26 H43 N5 Ti -","- C26 H43 N5 Ti -","- C52 H86 N10 Ti2 -","2","1","","Elkin, Tatyana; Kulkarni, Naveen V.; Tumanskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Synthesis and Structure of Group 4 Symmetric Amidinate Complexes and Their Reactivity in the Polymerization of α-Olefins","Organometallics","2013","32","21","6337","","10.1021/om4006998","","","0.71073","MoKα","","0.1138","0.0915","","","0.3329","0.3736","","","","","","1.722","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081870","10.6","0.002","11.158","0.002","17.088","0.003","72.29","0.02","82.6","0.02","79.33","0.02","1886.3","0.6","180","1","180","1","","","","","","","","5","P -1","-P 1","2","Moris-312 (Naveen)","","","- C38 H50 N6 O4 Ti -","- C38 H50 N6 O4 Ti -","- C76 H100 N12 O8 Ti2 -","2","1","","Elkin, Tatyana; Kulkarni, Naveen V.; Tumanskii, Boris; Botoshansky, Mark; Shimon, Linda J. W.; Eisen, Moris S.","Synthesis and Structure of Group 4 Symmetric Amidinate Complexes and Their Reactivity in the Polymerization of α-Olefins","Organometallics","2013","32","21","6337","","10.1021/om4006998","","","0.71073","MoKα","","0.0842","0.0594","","","0.1694","0.1796","","","","","","1.061","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081871","10.8861","0.0009","15.6003","0.0014","11.16","0.001","90","","112.189","0.004","90","","1754.9","0.3","110","2","110","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C42 H42 N2 O4 -","- C42 H42 N2 O4 -","- C84 H84 N4 O8 -","2","1","","Sahnoune, Hiba; Baranov Zuzana; Bhuvanesh, Nattamai; Gladysz, John A.; Halet, Jean-François","A Metal-Capped Conjugated Polyyne Threaded through a Phenanthroline-Based Macrocycle. Probing beyond the Mechanical Bond to Interactions in Interlocked Molecular Architectures","Organometallics","2013","32","21","6360","","10.1021/om400709q","","","1.54178","CuKα","","0.0459","0.0364","","","0.0832","0.09","","","","","","0.99","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081872","9.4744","0.0008","20.8186","0.0019","14.4371","0.0013","90","","92.317","0.002","90","","2845.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 B F18 N O2 -","- C25 H18 B F18 N O2 -","- C100 H72 B4 F72 N4 O8 -","4","1","","Lu, Zhenpin; Wang, Yuwen; Liu, Jia; Lin, Yue-jian; Li, Zhen Hua; Wang, Huadong","Synthesis and Reactivity of the CO2Adducts of Amine/Bis(2,4,6-tris(trifluoromethyl)phenyl)borane Pairs","Organometallics","2013","32","22","6753","","10.1021/om4007246","","","0.71073","MoKα","","0.0704","0.0553","","","0.1525","0.1663","","","","","","1.009","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081873","10.1821","0.001","12.1322","0.0012","14.1105","0.0015","68.54","0.002","88.85","0.002","85.378","0.002","1616.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 B F18 N2 O2 -","- C27 H27 B F18 N2 O2 -","- C54 H54 B2 F36 N4 O4 -","2","1","","Lu, Zhenpin; Wang, Yuwen; Liu, Jia; Lin, Yue-jian; Li, Zhen Hua; Wang, Huadong","Synthesis and Reactivity of the CO2Adducts of Amine/Bis(2,4,6-tris(trifluoromethyl)phenyl)borane Pairs","Organometallics","2013","32","22","6753","","10.1021/om4007246","","","0.71073","MoKα","","0.0621","0.0436","","","0.1224","0.1614","","","","","","0.934","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081875","9.3414","0.0011","24.179","0.003","12.2924","0.0015","90","","110.768","0.002","90","","2596","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 B F18 N O2 -","- C23 H14 B F18 N O2 -","- C92 H56 B4 F72 N4 O8 -","4","1","","Lu, Zhenpin; Wang, Yuwen; Liu, Jia; Lin, Yue-jian; Li, Zhen Hua; Wang, Huadong","Synthesis and Reactivity of the CO2Adducts of Amine/Bis(2,4,6-tris(trifluoromethyl)phenyl)borane Pairs","Organometallics","2013","32","22","6753","","10.1021/om4007246","","","0.71073","MoKα","","0.1053","0.0536","","","0.1265","0.1518","","","","","","1.013","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081876","9.9456","0.0008","14.143","0.0011","21.324","0.0018","90","","99.261","0.001","90","","2960.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 B F18 N O2 -","- C25 H22 B F18 N O2 -","- C100 H88 B4 F72 N4 O8 -","4","1","","Lu, Zhenpin; Wang, Yuwen; Liu, Jia; Lin, Yue-jian; Li, Zhen Hua; Wang, Huadong","Synthesis and Reactivity of the CO2Adducts of Amine/Bis(2,4,6-tris(trifluoromethyl)phenyl)borane Pairs","Organometallics","2013","32","22","6753","","10.1021/om4007246","","","0.71073","MoKα","","0.0654","0.0499","","","0.116","0.1389","","","","","","1.002","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081877","11.0254","0.0013","11.7059","0.0014","13.1772","0.0015","76.332","0.002","66.142","0.002","64.63","0.002","1401.3","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 B F18 N O -","- C25 H20 B F18 N O -","- C50 H40 B2 F36 N2 O2 -","2","1","","Lu, Zhenpin; Wang, Yuwen; Liu, Jia; Lin, Yue-jian; Li, Zhen Hua; Wang, Huadong","Synthesis and Reactivity of the CO2Adducts of Amine/Bis(2,4,6-tris(trifluoromethyl)phenyl)borane Pairs","Organometallics","2013","32","22","6753","","10.1021/om4007246","","","0.71073","MoKα","","0.0658","0.0487","","","0.1502","0.191","","","","","","1.083","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081878","12.3134","0.0012","14.7301","0.0014","15.8643","0.0016","91.361","0.012","90.335","0.012","113.642","0.011","2634.8","0.5","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","Hydrido{nitroso[tris(perfluorophenyl)borane-κ<i>N</i>]}{bis[tris(1-methylethyl)phopshane]rhenium ditoluene solvate","","- C50 H59 B F15 N2 O2 P2 Re -","- C50 H59 B F15 N2 O2 P2 Re -","- C100 H118 B2 F30 N4 O4 P4 Re2 -","2","1","","Jiang, Yanfeng; Huang, Wenjing; Schmalle, Helmut W.; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Efficient Lewis Acid Promoted Alkene Hydrogenations Using Dinitrosyl Rhenium(−I) Hydride Catalysts","Organometallics","2013","32","23","7043","","10.1021/om400733u","","","0.71073","MoKα","","0.0461","0.0373","","","0.1046","0.1113","","","","","","1.122","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081879","18.078","0.002","19.245","0.002","20.795","0.003","90","","108.725","0.013","90","","6851.9","1.5","183","2","183","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Hydrido{nitroso[tris(perfluorophenyl)borane-κ<i>N</i>]}{bis[triscyclohexylphosphane]rhenium toluene solvate","","- C61 H75 B F15 N2 O2 P2 Re -","- C61 H75 B F15 N2 O2 P2 Re -","- C244 H300 B4 F60 N8 O8 P8 Re4 -","4","1","","Jiang, Yanfeng; Huang, Wenjing; Schmalle, Helmut W.; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Efficient Lewis Acid Promoted Alkene Hydrogenations Using Dinitrosyl Rhenium(−I) Hydride Catalysts","Organometallics","2013","32","23","7043","","10.1021/om400733u","","","0.71073","MoKα","","0.1105","0.0681","","","0.1889","0.2054","","","","","","0.983","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081880","20.897","0.002","12.7097","0.0015","21.218","0.002","90","","117.623","0.01","90","","4993.1","1","183","2","183","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Hydrido(nitrosyl)(nitrosoethane-κ<i>N</i>){bis[tris(1-methyletyl)phosphane]}rhenium(+) tetra(pentafluorophenyl)borate (-)","","- C44 H48 B F20 N2 O2 P2 Re -","- C44 H48 B F20 N2 O2 P2 Re -","- C176 H192 B4 F80 N8 O8 P8 Re4 -","4","1","","Jiang, Yanfeng; Huang, Wenjing; Schmalle, Helmut W.; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Efficient Lewis Acid Promoted Alkene Hydrogenations Using Dinitrosyl Rhenium(−I) Hydride Catalysts","Organometallics","2013","32","23","7043","","10.1021/om400733u","","","0.71073","MoKα","","0.0742","0.0353","","","0.0737","0.08","","","","","","0.756","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081881","13.4696","0.0017","14.0584","0.0016","18.237","0.002","105.373","0.014","102.731","0.014","99.15","0.014","3160","0.8","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","Hydrido(nitrosyl)(nitrosoethane-κ<i>N</i>)[bis(triscyclohexyl)phosphane]rhenium(+) tetra(pentafluorophenyl)borate (-)","","- C62 H72 B F20 N2 O2 P2 Re -","- C62 H72 B F20 N2 O2 P2 Re -","- C124 H144 B2 F40 N4 O4 P4 Re2 -","2","1","","Jiang, Yanfeng; Huang, Wenjing; Schmalle, Helmut W.; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Efficient Lewis Acid Promoted Alkene Hydrogenations Using Dinitrosyl Rhenium(−I) Hydride Catalysts","Organometallics","2013","32","23","7043","","10.1021/om400733u","","","0.71073","MoKα","","0.0653","0.0348","","","0.0703","0.0769","","","","","","0.802","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081882","23.194","0.0008","9.5344","0.0003","23.3775","0.0008","90","","116.872","0.002","90","","4611.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H63 P Sn -","- C54 H63 P Sn -","- C216 H252 P4 Sn4 -","4","1","","Freitag, Sarah; Krebs, Kilian M.; Henning, Jens; Hirdler, Janina; Schubert, Hartmut; Wesemann, Lars","Stannylene-Based Lewis Pairs","Organometallics","2013","32","22","6785","","10.1021/om400736e","","","0.71073","MoKα","","0.0336","0.0256","","","0.0617","0.0661","","","","","","1.019","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081883","19.074","0.002","14.6578","0.0017","19.653","0.002","90","","113.058","0.006","90","","5055.7","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H77 P Sn -","- C60 H77 P Sn -","- C240 H308 P4 Sn4 -","4","1","","Freitag, Sarah; Krebs, Kilian M.; Henning, Jens; Hirdler, Janina; Schubert, Hartmut; Wesemann, Lars","Stannylene-Based Lewis Pairs","Organometallics","2013","32","22","6785","","10.1021/om400736e","","","0.71073","MoKα","","0.0517","0.0371","","","0.09","0.0969","","","","","","1.04","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081884","12.4011","0.0005","18.8054","0.0008","24.7687","0.001","90","","93.0458","0.0019","90","","5768.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H72 P Sn -","- C65 H72 P Sn -","- C260 H288 P4 Sn4 -","4","1","","Freitag, Sarah; Krebs, Kilian M.; Henning, Jens; Hirdler, Janina; Schubert, Hartmut; Wesemann, Lars","Stannylene-Based Lewis Pairs","Organometallics","2013","32","22","6785","","10.1021/om400736e","","","0.71073","MoKα","","0.031","0.0281","","","0.0695","0.0707","","","","","","1.077","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081885","28.7237","0.0014","23.8226","0.0011","17.6686","0.0009","90","","90","","90","","12090.1","1","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","Integration of K102Duo","","","- C70 H92 N P Sn -","- C70 H92 N P Sn -","- C560 H736 N8 P8 Sn8 -","8","2","","Freitag, Sarah; Krebs, Kilian M.; Henning, Jens; Hirdler, Janina; Schubert, Hartmut; Wesemann, Lars","Stannylene-Based Lewis Pairs","Organometallics","2013","32","22","6785","","10.1021/om400736e","","","0.71073","MoKα","","0.0833","0.0504","","","0.1013","0.1158","","","","","","0.988","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4081886","12.0376","0.0004","12.6331","0.0004","12.9189","0.0004","69.683","0.001","78.064","0.001","84.682","0.001","1802.08","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 Au O10 Os3 P -","- C34 H21 Au O10 Os3 P -","- C68 H42 Au2 O20 Os6 P2 -","2","1","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl Ligands: Structures, Bonding, and Transformations","Organometallics","2013","32","21","6368","","10.1021/om4007399","","","0.71073","MoKα","","0.046","0.038","","","0.1018","0.1092","","","","","","1.033","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081887","9.4965","0.0002","12.8917","0.0003","28.5192","0.0006","86.469","0.001","86.732","0.001","88.964","0.001","3478.83","0.13","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H20 Au O9 Os3 P -","- C33 H20 Au O9 Os3 P -","- C132 H80 Au4 O36 Os12 P4 -","4","2","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl Ligands: Structures, Bonding, and Transformations","Organometallics","2013","32","21","6368","","10.1021/om4007399","","","0.71073","MoKα","","0.0513","0.0368","","","0.0834","0.0917","","","","","","1.031","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081888","9.2085","0.0006","15.4986","0.0011","15.6967","0.0011","69.71","0.001","87.315","0.001","82.697","0.001","2084.2","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H29 Au O10 Os3 P -","- C41 H29 Au O10 Os3 P -","- C82 H58 Au2 O20 Os6 P2 -","2","1","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl Ligands: Structures, Bonding, and Transformations","Organometallics","2013","32","21","6368","","10.1021/om4007399","","","0.71073","MoKα","","0.0518","0.0404","","","0.1121","0.122","","","","","","1.025","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081889","30.52","0.003","10.1912","0.0008","27.194","0.003","90","","115.246","0.004","90","","7650.4","1.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Au O10 Os3 P -","- C38 H22 Au O10 Os3 P -","- C304 H176 Au8 O80 Os24 P8 -","8","1","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl Ligands: Structures, Bonding, and Transformations","Organometallics","2013","32","21","6368","","10.1021/om4007399","","","0.71073","MoKα","","0.0611","0.0444","","","0.0986","0.1073","","","","","","1.073","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081890","9.1719","0.0005","16.0279","0.0009","25.9591","0.0014","90","","91.298","0.001","90","","3815.2","0.4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H22 Au O9 Os3 P -","- C37 H22 Au O9 Os3 P -","- C148 H88 Au4 O36 Os12 P4 -","4","1","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl Ligands: Structures, Bonding, and Transformations","Organometallics","2013","32","21","6368","","10.1021/om4007399","","","0.71073","MoKα","","0.0599","0.0435","","","0.1022","0.1107","","","","","","1.053","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081891","12.5312","0.0007","12.7679","0.0007","14.9324","0.0008","83.943","0.002","66.915","0.001","72.7","0.001","2098.2","0.2","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H24 Au O10 Os3 P -","- C44 H24 Au O10 Os3 P -","- C88 H48 Au2 O20 Os6 P2 -","2","1","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl Ligands: Structures, Bonding, and Transformations","Organometallics","2013","32","21","6368","","10.1021/om4007399","","","0.71073","MoKα","","0.0832","0.0473","","","0.0753","0.0874","","","","","","1.003","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081892","12.716","0.003","13.105","0.003","15.765","0.004","72.071","0.006","73.087","0.006","68.724","0.005","2281.1","1","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H26 Au Cl2 O10 Os3 P -","- C45 H26 Au Cl2 O10 Os3 P -","- C90 H52 Au2 Cl4 O20 Os6 P2 -","2","1","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl Ligands: Structures, Bonding, and Transformations","Organometallics","2013","32","21","6368","","10.1021/om4007399","","","0.71073","MoKα","","0.0979","0.0586","","","0.1362","0.1568","","","","","","1.015","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081893","9.6219","0.0003","11.2187","0.0003","19.4363","0.0006","97.673","0.001","100.981","0.001","100.138","0.001","1996.96","0.1","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H24 Au O9 Os3 P -","- C43 H24 Au O9 Os3 P -","- C86 H48 Au2 O18 Os6 P2 -","2","1","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl Ligands: Structures, Bonding, and Transformations","Organometallics","2013","32","21","6368","","10.1021/om4007399","","","0.71073","MoKα","","0.0455","0.0334","","","0.0786","0.0923","","","","","","1.016","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081894","9.8364","0.0003","12.6236","0.0003","19.9043","0.0005","94.96","0.001","103.5","0.001","111.308","0.001","2198.57","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H31 Au O9 Os3 P -","- C46 H31 Au O9 Os3 P -","- C92 H62 Au2 O18 Os6 P2 -","2","1","","Adams, Richard D.; Rassolov, Vitaly; Zhang, Qiang","Unsaturated Triosmium Carbonyl Cluster Complexes with Bridging Aryl Ligands: Structures, Bonding, and Transformations","Organometallics","2013","32","21","6368","","10.1021/om4007399","","","0.71073","MoKα","","0.0362","0.0296","","","0.0829","0.0918","","","","","","1.021","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081895","8.844","0.0002","12.9131","0.0003","20.8554","0.0005","106.955","0.002","95.918","0.002","95.173","0.002","2247.93","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H46 O P2 Ru S -","- C55 H46 O P2 Ru S -","- C110 H92 O2 P4 Ru2 S2 -","2","1","","Feng, Yi-Jhen; Lo, Ji-Xian; Lin, Ying-Chih; Huang, Shou-Ling; Wang, Yu; Liu, Yi-Hung","Tandem Cyclization of Enynes Containing a Thioether or Ether Linkage via Ruthenium Allenylidene and Vinylidene Complexes","Organometallics","2013","32","21","6379","","10.1021/om400742x","","","0.71073","MoKα","","0.054","0.0389","","","0.111","0.123","","","","","","0.896","","","","has coordinates,has disorder","178707","2020-10-21","18:00:00",""
"4081896","14.3436","0.0004","9.8591","0.0004","16.9131","0.0005","90","","94.812","0.003","90","","2383.34","0.14","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H56 O2 P2 Ru S -","- C58 H56 O2 P2 Ru S -","- C116 H112 O4 P4 Ru2 S2 -","2","1","","Feng, Yi-Jhen; Lo, Ji-Xian; Lin, Ying-Chih; Huang, Shou-Ling; Wang, Yu; Liu, Yi-Hung","Tandem Cyclization of Enynes Containing a Thioether or Ether Linkage via Ruthenium Allenylidene and Vinylidene Complexes","Organometallics","2013","32","21","6379","","10.1021/om400742x","","","0.71073","MoKα","","0.0487","0.0431","","","0.103","0.108","","","","","","1.009","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081897","12.86","0.0003","18.1133","0.0004","21.1609","0.0005","90","","99.838","0.002","90","","4856.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H55 F6 O P3 Ru -","- C55 H55 F6 O P3 Ru -","- C220 H220 F24 O4 P12 Ru4 -","4","1","","Feng, Yi-Jhen; Lo, Ji-Xian; Lin, Ying-Chih; Huang, Shou-Ling; Wang, Yu; Liu, Yi-Hung","Tandem Cyclization of Enynes Containing a Thioether or Ether Linkage via Ruthenium Allenylidene and Vinylidene Complexes","Organometallics","2013","32","21","6379","","10.1021/om400742x","","","0.71073","MoKα","","0.0772","0.0498","","","0.1148","0.1342","","","","","","1.047","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081898","11.049","0.002","7.8218","0.0015","16.997","0.003","90","","92.127","0.002","90","","1467.9","0.5","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 B N3 -","- C16 H18 B N3 -","- C64 H72 B4 N12 -","4","1","","de Oliveira Freitas, Luiza Baptista; Eisenberger, Patrick; Crudden, Cathleen M.","Mesoionic Carbene‒Boranes","Organometallics","2013","32","22","6635","","10.1021/om400743c","","","0.71073","MoKα","","0.0548","0.0394","","","0.0907","0.0994","","","","","","1.017","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081899","5.9771","0.0006","10.5284","0.0011","12.4192","0.0013","90","","94.351","0.001","90","","779.28","0.14","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 B N3 -","- C17 H20 B N3 -","- C34 H40 B2 N6 -","2","1","","de Oliveira Freitas, Luiza Baptista; Eisenberger, Patrick; Crudden, Cathleen M.","Mesoionic Carbene‒Boranes","Organometallics","2013","32","22","6635","","10.1021/om400743c","","","0.71073","MoKα","","0.0421","0.0381","","","0.0984","0.102","","","","","","1.07","","","","has coordinates","178707","2020-10-21","18:00:00",""
"4081900","10.2257","0.001","8.4615","0.0008","10.24","0.001","90","","91.909","0.001","90","","885.52","0.15","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H24 B N3 -","- C19 H24 B N3 -","- C38 H48 B2 N6 -","2","1","","de Oliveira Freitas, Luiza Baptista; Eisenberger, Patrick; Crudden, Cathleen M.","Mesoionic Carbene‒Boranes","Organometallics","2013","32","22","6635","","10.1021/om400743c","","","0.71073","MoKα","","0.0456","0.0377","","","0.0872","0.0925","","","","","","1.036","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081901","8.8074","0.0014","11.0639","0.0018","17.548","0.003","90","","104.081","0.002","90","","1658.6","0.5","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 B N3 -","- C20 H18 B N3 -","- C80 H72 B4 N12 -","4","1","","de Oliveira Freitas, Luiza Baptista; Eisenberger, Patrick; Crudden, Cathleen M.","Mesoionic Carbene‒Boranes","Organometallics","2013","32","22","6635","","10.1021/om400743c","","","0.71073","MoKα","","0.0756","0.0465","","","0.107","0.1259","","","","","","1.012","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081902","12.036","0.0007","12.5925","0.0008","13.088","0.0008","80.127","0.002","63.055","0.002","68.254","0.002","1642.46","0.18","90","2","90","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H88 Cl2 F12 Ir2 N6 O2 P2 -","- C58 H88 Cl2 F12 Ir2 N6 O2 P2 -","- C58 H88 Cl2 F12 Ir2 N6 O2 P2 -","1","0.5","","Specht, Zephen G.; Grotjahn, Douglas B.; Moore, Curtis E.; Rheingold, Arnold L.","Effects of Hindrance in N-Pyridyl Imidazolylidenes Coordinated to Iridium on Structure and Catalysis","Organometallics","2013","32","21","6400","","10.1021/om400758b","","","0.71073","MoKα","","0.0248","0.0222","","","0.0538","0.0553","","","","","","1.038","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081903","21.557","0.004","21.557","0.004","26.611","0.005","90","","90","","120","","10709","3","100","","100","","","","","","","","","5","R -3","-R 3","148","","","","- C24 H33.33 Cl Ir N3 -","- C23 H31 Cl Ir N3 -","- C414 H558 Cl18 Ir18 N54 -","18","","","Specht, Zephen G.; Grotjahn, Douglas B.; Moore, Curtis E.; Rheingold, Arnold L.","Effects of Hindrance in N-Pyridyl Imidazolylidenes Coordinated to Iridium on Structure and Catalysis","Organometallics","2013","32","21","6400","","10.1021/om400758b","","x-ray","0.71073","MoKα","K-L~3~","0.0434","0.031","","","0.0648","0.0681","","","","","","1.028","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081904","9.6334","0.0006","15.3382","0.0009","13.2311","0.0008","90","","111.138","0.001","90","","1823.47","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 Ir N2 O4 -","- C20 H21 Ir N2 O4 -","- C80 H84 Ir4 N8 O16 -","4","1","","Nguyen, Duc Hanh; Greger, Ingo; Pérez-Torrente, Jesús J.; Jiménez, M. Victoria; Modrego, F. Javier; Lahoz, Fernando J.; Oro, Luis A.","ONO Dianionic Pincer-Type Ligand Precursors for the Synthesis of σ,π-Cyclooctenyl Iridium(III) Complexes: Formation Mechanism and Coordination Chemistry","Organometallics","2013","32","23","6903","","10.1021/om400767d","","","0.71073","MoKα","","0.0314","0.0276","","","0.0621","0.0637","","","","","","1.066","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081905","9.6225","0.0013","13.0524","0.0017","15.245","0.002","111.006","0.003","95.558","0.003","103.966","0.003","1698.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H38 Ir N O4 P2 -","- C40 H38 Ir N O4 P2 -","- C80 H76 Ir2 N2 O8 P4 -","2","1","","Nguyen, Duc Hanh; Greger, Ingo; Pérez-Torrente, Jesús J.; Jiménez, M. Victoria; Modrego, F. Javier; Lahoz, Fernando J.; Oro, Luis A.","ONO Dianionic Pincer-Type Ligand Precursors for the Synthesis of σ,π-Cyclooctenyl Iridium(III) Complexes: Formation Mechanism and Coordination Chemistry","Organometallics","2013","32","23","6903","","10.1021/om400767d","","","0.71073","MoKα","","0.0905","0.0618","","","0.0989","0.1071","","","","","","1.032","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081906","16.734","0.0007","16.734","0.0007","28.8823","0.0012","90","","90","","90","","8087.8","0.6","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C86 H138 Ir4 N2 O10 -","- C86 H130 Ir4 N2 O10 -","- C344 H520 Ir16 N8 O40 -","4","0.5","","Nguyen, Duc Hanh; Greger, Ingo; Pérez-Torrente, Jesús J.; Jiménez, M. Victoria; Modrego, F. Javier; Lahoz, Fernando J.; Oro, Luis A.","ONO Dianionic Pincer-Type Ligand Precursors for the Synthesis of σ,π-Cyclooctenyl Iridium(III) Complexes: Formation Mechanism and Coordination Chemistry","Organometallics","2013","32","23","6903","","10.1021/om400767d","","","0.71073","MoKα","","0.0407","0.0256","","","0.0639","0.0713","","","","","","1.069","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081907","10.095","0.0007","11.0369","0.0008","12.0268","0.0009","98.163","0.001","113.81","0.001","100.938","0.001","1167.49","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 Cl4 Ir N O4 -","- C21 H26 Cl4 Ir N O4 -","- C42 H52 Cl8 Ir2 N2 O8 -","2","1","","Nguyen, Duc Hanh; Pérez-Torrente, Jesús J.; Jiménez, M. Victoria; Modrego, F. Javier; Gómez-Bautista, Daniel; Lahoz, Fernando J.; Oro, Luis A.","Unsaturated Iridium(III) Complexes Supported by a Quinolato‒Carboxylato ONO Pincer-Type Ligand: Synthesis, Reactivity, and Catalytic C‒H Functionalization","Organometallics","2013","32","23","6918","","10.1021/om400768n","","","0.71073","MoKα","","0.0274","0.0257","","","0.0634","0.0641","","","","","","1.103","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081908","8.3967","0.0009","15.3084","0.0017","14.1731","0.0016","90","","90.636","0.001","90","","1821.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Ir N3 O4 -","- C20 H18 Ir N3 O4 -","- C80 H72 Ir4 N12 O16 -","4","1","","Nguyen, Duc Hanh; Pérez-Torrente, Jesús J.; Jiménez, M. Victoria; Modrego, F. Javier; Gómez-Bautista, Daniel; Lahoz, Fernando J.; Oro, Luis A.","Unsaturated Iridium(III) Complexes Supported by a Quinolato‒Carboxylato ONO Pincer-Type Ligand: Synthesis, Reactivity, and Catalytic C‒H Functionalization","Organometallics","2013","32","23","6918","","10.1021/om400768n","","","0.71073","MoKα","","0.0575","0.0396","","","0.0745","0.0819","","","","","","1.113","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081909","15.3704","0.0005","15.6192","0.0005","25.9025","0.0011","90","","90","","90","","6218.5","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H24 F4 Ir N5 O4 -","- C34 H24 F4 Ir N5 O4 -","- C272 H192 F32 Ir8 N40 O32 -","8","1","","Oh, Hankook; Park, Ki-Min; Hwang, Hyonseok; Oh, Sihyun; Lee, Ji Hye; Lu, Jia-Sheng; Wang, Suning; Kang, Youngjin","Effective Alkoxylation of Phosphorescent Heteroleptic Iridium(III) Compounds Bearing Fluorinated Bipyridine Ligands","Organometallics","2013","32","21","6427","","10.1021/om400770h","","","0.71073","MoKα","","0.0779","0.0455","","","0.0887","0.1001","","","","","","1.023","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081910","21.683","0.003","13.9853","0.0017","13.3908","0.0016","90","","91.013","0.006","90","","4060","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Ir N5 O10 -","- C38 H42 Ir N5 O10 -","- C152 H168 Ir4 N20 O40 -","4","1","","Oh, Hankook; Park, Ki-Min; Hwang, Hyonseok; Oh, Sihyun; Lee, Ji Hye; Lu, Jia-Sheng; Wang, Suning; Kang, Youngjin","Effective Alkoxylation of Phosphorescent Heteroleptic Iridium(III) Compounds Bearing Fluorinated Bipyridine Ligands","Organometallics","2013","32","21","6427","","10.1021/om400770h","","","0.71073","MoKα","","0.1027","0.0615","","","0.1839","0.1978","","","","","","1.269","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081911","9.2548","0.0005","24.9712","0.0014","12.7955","0.0007","90","","92.268","0.001","90","","2954.8","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 Ir N5 O7 -","- C31 H30 Ir N5 O7 -","- C124 H120 Ir4 N20 O28 -","4","1","","Oh, Hankook; Park, Ki-Min; Hwang, Hyonseok; Oh, Sihyun; Lee, Ji Hye; Lu, Jia-Sheng; Wang, Suning; Kang, Youngjin","Effective Alkoxylation of Phosphorescent Heteroleptic Iridium(III) Compounds Bearing Fluorinated Bipyridine Ligands","Organometallics","2013","32","21","6427","","10.1021/om400770h","","","0.71073","MoKα","","0.04","0.0289","","","0.0622","0.0674","","","","","","1.022","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081912","14.801","0.001","18.3641","0.0012","25.2862","0.0017","94.623","0.001","93.082","0.001","109.75","0.001","6423.5","0.7","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H184 O10 Te6 -","- C120 H184 O10 Te6 -","- C240 H368 O20 Te12 -","2","1","","Oba, Makoto; Nishiyama, Kozaburo; Koguchi, Shinichi; Shimada, Shigeru; Ando, Wataru","Synthesis and Properties of Tellurinic Anhydride‒Tellurone Adducts","Organometallics","2013","32","21","6620","","10.1021/om400772d","","","0.71069","MoKα","","","0.0446","","","","0.1024","","","","","","1.011","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081913","17.866","0.005","9.732","0.005","9.999","0.005","90","","106.031","0.005","90","","1670.9","1.3","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Au Cl N3 O -","- C17 H17 Au Cl N3 O -","- C68 H68 Au4 Cl4 N12 O4 -","4","1","","Wright, James R.; Young, Paul C.; Lucas, Nigel T.; Lee, Ai-Lan; Crowley, James D.","Gold(I) and Palladium(II) Complexes of 1,3,4-Trisubstituted 1,2,3-Triazol-5-ylidene “Click” Carbenes: Systematic Study of the Electronic and Steric Influence on Catalytic Activity","Organometallics","2013","32","23","7065","","10.1021/om400773n","","","0.71069","MoKα","","0.0332","0.0291","","","0.0731","0.0759","","","","","","1.087","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081914","18.874","0.005","9.063","0.005","19.745","0.005","90","0.005","101.216","0.005","90","0.005","3313","2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Au Cl N4 O2 -","- C16 H14 Au Cl N4 O2 -","- C128 H112 Au8 Cl8 N32 O16 -","8","2","","Wright, James R.; Young, Paul C.; Lucas, Nigel T.; Lee, Ai-Lan; Crowley, James D.","Gold(I) and Palladium(II) Complexes of 1,3,4-Trisubstituted 1,2,3-Triazol-5-ylidene “Click” Carbenes: Systematic Study of the Electronic and Steric Influence on Catalytic Activity","Organometallics","2013","32","23","7065","","10.1021/om400773n","","","0.71069","MoKα","","0.051","0.0367","","","0.0591","0.0861","","","","","","1.479","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081915","11.0311","0.0007","8.28","0.0005","18.3305","0.0011","90","","100.237","0.003","90","","1647.61","0.18","92","2","92","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 Au Cl N3 -","- C17 H17 Au Cl N3 -","- C68 H68 Au4 Cl4 N12 -","4","1","","Wright, James R.; Young, Paul C.; Lucas, Nigel T.; Lee, Ai-Lan; Crowley, James D.","Gold(I) and Palladium(II) Complexes of 1,3,4-Trisubstituted 1,2,3-Triazol-5-ylidene “Click” Carbenes: Systematic Study of the Electronic and Steric Influence on Catalytic Activity","Organometallics","2013","32","23","7065","","10.1021/om400773n","","","0.71073","MoKα","","0.0637","0.0521","","","0.088","0.0918","","","","","","1.193","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081916","6.3539","0.0005","15.6097","0.0012","20.9857","0.0017","90","","91.51","0.004","90","","2080.7","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Au Cl N3 -","- C21 H25 Au Cl N3 -","- C84 H100 Au4 Cl4 N12 -","4","1","","Wright, James R.; Young, Paul C.; Lucas, Nigel T.; Lee, Ai-Lan; Crowley, James D.","Gold(I) and Palladium(II) Complexes of 1,3,4-Trisubstituted 1,2,3-Triazol-5-ylidene “Click” Carbenes: Systematic Study of the Electronic and Steric Influence on Catalytic Activity","Organometallics","2013","32","23","7065","","10.1021/om400773n","","","0.71073","MoKα","","0.0574","0.045","","","0.1048","0.1147","","","","","","1.034","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081917","10.4251","0.0007","24.9854","0.0014","11.6479","0.0007","90","","104.86","0.003","90","","2932.5","0.3","94","2","94","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 Br2 N5 Pd -","- C29 H33 Br2 N5 Pd -","- C116 H132 Br8 N20 Pd4 -","4","1","","Wright, James R.; Young, Paul C.; Lucas, Nigel T.; Lee, Ai-Lan; Crowley, James D.","Gold(I) and Palladium(II) Complexes of 1,3,4-Trisubstituted 1,2,3-Triazol-5-ylidene “Click” Carbenes: Systematic Study of the Electronic and Steric Influence on Catalytic Activity","Organometallics","2013","32","23","7065","","10.1021/om400773n","","","0.71073","MoKα","","0.0824","0.0603","","","0.1501","0.167","","","","","","1.049","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081918","10.4702","0.0005","23.9939","0.0012","13.0959","0.0006","90","","111.302","0.002","90","","3065.2","0.3","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 Br2 N5 O Pd -","- C30 H35 Br2 N5 O Pd -","- C120 H140 Br8 N20 O4 Pd4 -","4","1","","Wright, James R.; Young, Paul C.; Lucas, Nigel T.; Lee, Ai-Lan; Crowley, James D.","Gold(I) and Palladium(II) Complexes of 1,3,4-Trisubstituted 1,2,3-Triazol-5-ylidene “Click” Carbenes: Systematic Study of the Electronic and Steric Influence on Catalytic Activity","Organometallics","2013","32","23","7065","","10.1021/om400773n","","","0.71073","MoKα","","0.0355","0.0266","","","0.0656","0.0689","","","","","","1.061","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081919","12.1147","0.001","14.9855","0.0014","17.2486","0.0015","98.044","0.004","90.522","0.004","95.948","0.004","3083","0.5","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 Br2 N6 O2 Pd -","- C29 H32 Br2 N6 O2 Pd -","- C116 H128 Br8 N24 O8 Pd4 -","4","2","","Wright, James R.; Young, Paul C.; Lucas, Nigel T.; Lee, Ai-Lan; Crowley, James D.","Gold(I) and Palladium(II) Complexes of 1,3,4-Trisubstituted 1,2,3-Triazol-5-ylidene “Click” Carbenes: Systematic Study of the Electronic and Steric Influence on Catalytic Activity","Organometallics","2013","32","23","7065","","10.1021/om400773n","","","0.71073","MoKα","","0.0875","0.0544","","","0.0952","0.1065","","","","","","1.063","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081920","17.4616","0.0009","9.7707","0.0005","35.9822","0.0019","90","","90","","90","","6139","0.6","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H35 Br2 N5 Pd -","- C30 H35 Br2 N5 Pd -","- C240 H280 Br16 N40 Pd8 -","8","1","","Wright, James R.; Young, Paul C.; Lucas, Nigel T.; Lee, Ai-Lan; Crowley, James D.","Gold(I) and Palladium(II) Complexes of 1,3,4-Trisubstituted 1,2,3-Triazol-5-ylidene “Click” Carbenes: Systematic Study of the Electronic and Steric Influence on Catalytic Activity","Organometallics","2013","32","23","7065","","10.1021/om400773n","","","0.71073","MoKα","","0.0799","0.0578","","","0.095","0.1001","","","","","","1.26","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081921","9.272","0.0003","22.7873","0.0008","9.7352","0.0003","90","","94.71","0.003","90","","2049.94","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 Ir2 N4 O4 -","- C16 H18 Cl2 Ir2 N4 O4 -","- C64 H72 Cl8 Ir8 N16 O16 -","4","1","","Valdés, Hugo; Poyatos, Macarena; Peris, Eduardo","A Tetracyclic Bis(imidazolindiylidene) Ligand and Its Diiridium and Dipalladium Complexes","Organometallics","2013","32","21","6445","","10.1021/om400779w","","","0.71073","MoKα","","0.0798","0.0663","","","0.1539","0.1604","","","","","","1.22","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081922","15.1391","0.0002","15.5045","0.0003","31.8334","0.0005","90","","98.9181","0.0016","90","","7381.7","0.2","200","0.1","200","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","str1516","","- C59 H88 Cl12 Ir4 N8 -","- C59 H88 Cl12 Ir4 N8 -","- C236 H352 Cl48 Ir16 N32 -","4","0.5","","Valdés, Hugo; Poyatos, Macarena; Peris, Eduardo","A Tetracyclic Bis(imidazolindiylidene) Ligand and Its Diiridium and Dipalladium Complexes","Organometallics","2013","32","21","6445","","10.1021/om400779w","","","0.7107","MoKα","","0.0644","0.05","","","0.1242","0.1376","","","","","","1.037","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081923","9.6362","0.0019","10.862","0.002","15.977","0.003","90","","90","","90","","1672.3","0.5","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Cl F5 Ni P2 -","- C9 H18 Cl F5 Ni P2 -","- C36 H72 Cl4 F20 Ni4 P8 -","4","0.5","","Xu, Wengang; Sun, Hongjian; Xiong, Zichang; Li, Xiaoyan","Acid-Promoted Selective Carbon‒Fluorine Bond Activation and Functionalization of Hexafluoropropene by Nickel Complexes Supported with Phosphine Ligands","Organometallics","2013","32","23","7122","","10.1021/om400782v","","","0.71073","MoKα","","0.0929","0.0679","","","0.1845","0.2036","","","","","","1.075","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081924","9.3729","0.0019","10.857","0.002","16.181","0.003","90","","90","","90","","1646.6","0.5","153","2","153","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C9 H18 Br F5 Ni P2 -","- C9 H18 Br F5 Ni P2 -","- C36 H72 Br4 F20 Ni4 P8 -","4","0.5","","Xu, Wengang; Sun, Hongjian; Xiong, Zichang; Li, Xiaoyan","Acid-Promoted Selective Carbon‒Fluorine Bond Activation and Functionalization of Hexafluoropropene by Nickel Complexes Supported with Phosphine Ligands","Organometallics","2013","32","23","7122","","10.1021/om400782v","","","0.71073","MoKα","","0.0805","0.0554","","","0.1305","0.1457","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081925","12.8311","0.0013","11.9552","0.0012","11.5336","0.0011","90","","98.398","0.002","90","","1750.3","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H22 F6 Ni O2 P2 -","- C11 H22 F6 Ni O2 P2 -","- C44 H88 F24 Ni4 O8 P8 -","4","1","","Xu, Wengang; Sun, Hongjian; Xiong, Zichang; Li, Xiaoyan","Acid-Promoted Selective Carbon‒Fluorine Bond Activation and Functionalization of Hexafluoropropene by Nickel Complexes Supported with Phosphine Ligands","Organometallics","2013","32","23","7122","","10.1021/om400782v","","","0.71073","MoKα","","0.0544","0.0476","","","0.122","0.1272","","","","","","0.994","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081926","11.481","0.002","13.336","0.003","12.547","0.003","90","","104.37","0.03","90","","1861","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 F8 Ni O2 P2 -","- C11 H18 F8 Ni O2 P2 -","- C44 H72 F32 Ni4 O8 P8 -","4","1","","Xu, Wengang; Sun, Hongjian; Xiong, Zichang; Li, Xiaoyan","Acid-Promoted Selective Carbon‒Fluorine Bond Activation and Functionalization of Hexafluoropropene by Nickel Complexes Supported with Phosphine Ligands","Organometallics","2013","32","23","7122","","10.1021/om400782v","","","0.71073","MoKα","","0.0578","0.0398","","","0.0966","0.1064","","","","","","1.038","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081927","6.5405","0.0013","22.222","0.005","13.555","0.003","90","","103.96","","90","","1911.9","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 F5 Ni P2 -","- C15 H23 F5 Ni P2 -","- C60 H92 F20 Ni4 P8 -","4","1","","Xu, Wengang; Sun, Hongjian; Xiong, Zichang; Li, Xiaoyan","Acid-Promoted Selective Carbon‒Fluorine Bond Activation and Functionalization of Hexafluoropropene by Nickel Complexes Supported with Phosphine Ligands","Organometallics","2013","32","23","7122","","10.1021/om400782v","","","0.71073","MoKα","","0.0529","0.0351","","","0.0805","0.0873","","","","","","0.933","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081928","13.386","0.003","13.468","0.003","13.612","0.003","83.04","0.03","77.79","0.03","61.22","0.03","2101.7","1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 F5 Ni O P2 -","- C16 H25 F5 Ni O P2 -","- C64 H100 F20 Ni4 O4 P8 -","4","2","","Xu, Wengang; Sun, Hongjian; Xiong, Zichang; Li, Xiaoyan","Acid-Promoted Selective Carbon‒Fluorine Bond Activation and Functionalization of Hexafluoropropene by Nickel Complexes Supported with Phosphine Ligands","Organometallics","2013","32","23","7122","","10.1021/om400782v","","","0.71073","MoKα","","0.0652","0.0534","","","0.1524","0.1669","","","","","","1.09","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081929","13.489","0.003","14.09","0.003","12.095","0.002","90","","114.75","0.03","90","","2087.6","0.9","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H23 F5 Ni P2 -","- C17 H23 F5 Ni P2 -","- C68 H92 F20 Ni4 P8 -","4","1","","Xu, Wengang; Sun, Hongjian; Xiong, Zichang; Li, Xiaoyan","Acid-Promoted Selective Carbon‒Fluorine Bond Activation and Functionalization of Hexafluoropropene by Nickel Complexes Supported with Phosphine Ligands","Organometallics","2013","32","23","7122","","10.1021/om400782v","","","0.71073","MoKα","","0.0405","0.0291","","","0.0736","0.0803","","","","","","1.041","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081930","8.903","0.002","9.578","0.002","13.003","0.003","83.961","0.003","83.339","0.004","83.622","0.004","1089.7","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H28 Br F3 Ni P2 -","- C17 H28 Br F3 Ni P2 -","- C34 H56 Br2 F6 Ni2 P4 -","2","1","","Xu, Wengang; Sun, Hongjian; Xiong, Zichang; Li, Xiaoyan","Acid-Promoted Selective Carbon‒Fluorine Bond Activation and Functionalization of Hexafluoropropene by Nickel Complexes Supported with Phosphine Ligands","Organometallics","2013","32","23","7122","","10.1021/om400782v","","","0.71073","MoKα","","0.0674","0.0438","","","0.1017","0.1159","","","","","","0.954","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081931","10.9588","0.0014","18.579","0.003","18.701","0.002","63.351","0.009","84.084","0.011","78.935","0.01","3339.2","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H75 N8 O3 P Ru2 Si -","- C74 H75 N8 O3 P Ru2 Si -","- C148 H150 N16 O6 P2 Ru4 Si2 -","2","1","","Savchenko, Julia; Cao, Zhi; Natoli, Sean N.; Cummings, Steven P.; Prentice, Boone M.; Fanwick, Phillip E.; Ren, Tong","New Diruthenium Bis-alkynyl Compounds as Potential Ditopic Linkers","Organometallics","2013","32","21","6461","","10.1021/om400799c","","","1.54178","CuKα","","0.1298","0.092","","","0.2476","0.2775","","","","","","1.057","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081932","14.2145","0.0004","9.8959","0.0004","15.9473","0.0005","90","","91.527","0.003","90","","2242.43","0.13","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O3 Pt -","- C10 H12 N2 O3 Pt -","- C80 H96 N16 O24 Pt8 -","8","2","","Kluge, Tim; Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Wagner, Christoph; Ströhl, Dieter; Schmidt, Jürgen; Steinborn, Dirk","Activation of Acetyl Ligands through Hydrogen Bonds: A New Way to Platinum(II) Complexes Bearing Protonated Iminoacetyl Ligands","Organometallics","2013","32","23","7090","","10.1021/om400812w","","","0.71073","MoKα","","0.0265","0.0201","","","0.0413","0.0427","","","","","","0.986","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081933","7.6575","0.0005","9.3389","0.0006","9.6377","0.0006","82.935","0.005","76.344","0.005","67.261","0.005","617.29","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 N2 O3 Pt -","- C11 H14 N2 O3 Pt -","- C22 H28 N4 O6 Pt2 -","2","1","","Kluge, Tim; Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Wagner, Christoph; Ströhl, Dieter; Schmidt, Jürgen; Steinborn, Dirk","Activation of Acetyl Ligands through Hydrogen Bonds: A New Way to Platinum(II) Complexes Bearing Protonated Iminoacetyl Ligands","Organometallics","2013","32","23","7090","","10.1021/om400812w","","","0.71073","MoKα","","0.0237","0.0201","","","0.0447","0.0453","","","","","","1.005","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081934","14.571","0.004","12.7767","0.0016","16.848","0.005","90","","92.82","0.03","90","","3132.8","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 N2 O3 Pt -","- C16 H16 N2 O3 Pt -","- C128 H128 N16 O24 Pt8 -","8","1","","Kluge, Tim; Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Wagner, Christoph; Ströhl, Dieter; Schmidt, Jürgen; Steinborn, Dirk","Activation of Acetyl Ligands through Hydrogen Bonds: A New Way to Platinum(II) Complexes Bearing Protonated Iminoacetyl Ligands","Organometallics","2013","32","23","7090","","10.1021/om400812w","","","0.71073","MoKα","","0.0482","0.0295","","","0.0611","0.0687","","","","","","1.061","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081935","13.0914","0.0011","15.0935","0.0008","9.0016","0.0007","90","","109.275","0.006","90","","1679","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O2 Pt -","- C17 H19 N3 O2 Pt -","- C68 H76 N12 O8 Pt4 -","4","1","","Kluge, Tim; Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Wagner, Christoph; Ströhl, Dieter; Schmidt, Jürgen; Steinborn, Dirk","Activation of Acetyl Ligands through Hydrogen Bonds: A New Way to Platinum(II) Complexes Bearing Protonated Iminoacetyl Ligands","Organometallics","2013","32","23","7090","","10.1021/om400812w","","","0.71073","MoKα","","0.0258","0.0205","","","0.0487","0.0495","","","","","","0.962","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081936","11.4568","0.0005","16.5725","0.0006","9.8299","0.0004","90","","91.79","0.004","90","","1865.47","0.13","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H23 N3 O3 Pt -","- C18 H23 N3 O3 Pt -","- C72 H92 N12 O12 Pt4 -","4","1","","Kluge, Tim; Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Wagner, Christoph; Ströhl, Dieter; Schmidt, Jürgen; Steinborn, Dirk","Activation of Acetyl Ligands through Hydrogen Bonds: A New Way to Platinum(II) Complexes Bearing Protonated Iminoacetyl Ligands","Organometallics","2013","32","23","7090","","10.1021/om400812w","","","0.71073","MoKα","","0.0238","0.0212","","","0.0481","0.0485","","","","","","1.015","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081937","5.3","0.0003","10.432","0.0007","25.121","0.0018","90","","90","","90","","1388.93","0.16","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N3 O2 Pt -","- C13 H17 N3 O2 Pt -","- C52 H68 N12 O8 Pt4 -","4","1","","Kluge, Tim; Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Wagner, Christoph; Ströhl, Dieter; Schmidt, Jürgen; Steinborn, Dirk","Activation of Acetyl Ligands through Hydrogen Bonds: A New Way to Platinum(II) Complexes Bearing Protonated Iminoacetyl Ligands","Organometallics","2013","32","23","7090","","10.1021/om400812w","","","0.71073","MoKα","","0.0431","0.0355","","","0.0987","0.1098","","","","","","1.076","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081938","8.8108","0.0005","12.4832","0.0006","16.4905","0.0008","67.977","0.004","82.06","0.004","72.084","0.004","1599.33","0.15","105","","105","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H34 Cl2 N4 O2 Pt -","- C33 H34 Cl2 N4 O2 Pt -","- C66 H68 Cl4 N8 O4 Pt2 -","2","1","","Kluge, Tim; Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Wagner, Christoph; Ströhl, Dieter; Schmidt, Jürgen; Steinborn, Dirk","Activation of Acetyl Ligands through Hydrogen Bonds: A New Way to Platinum(II) Complexes Bearing Protonated Iminoacetyl Ligands","Organometallics","2013","32","23","7090","","10.1021/om400812w","","","0.71073","MoKα","","0.0461","0.0328","","","0.0673","0.0696","","","","","","0.982","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081939","8.338","0.003","8.5097","0.0015","17.414","0.007","90","","99.51","0.05","90","","1218.6","0.7","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H16 N2 O4 Pt -","- C9 H16 N2 O4 Pt -","- C36 H64 N8 O16 Pt4 -","4","1","","Kluge, Tim; Bette, Martin; Rüffer, Tobias; Bruhn, Clemens; Wagner, Christoph; Ströhl, Dieter; Schmidt, Jürgen; Steinborn, Dirk","Activation of Acetyl Ligands through Hydrogen Bonds: A New Way to Platinum(II) Complexes Bearing Protonated Iminoacetyl Ligands","Organometallics","2013","32","23","7090","","10.1021/om400812w","","","0.71073","MoKα","","0.0451","0.0354","","","0.0835","0.0899","","","","","","1.021","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081940","12.8261","0.0009","17.2673","0.0012","23.4196","0.0016","90","","90","","90","","5186.8","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H33 Cl3 Ge2 Si3 -","- C15 H33 Cl3 Ge2 Si3 -","- C120 H264 Cl24 Ge16 Si24 -","8","1","","Zaitsev, Kirill V.; Kapranov, Andrey A.; Churakov, Andrei V.; Poleshchuk, Oleg Kh.; Oprunenko, Yuri F.; Tarasevich, Boris N.; Zaitseva, Galina S.; Karlov, Sergey S.","“Donor‒Acceptor” Oligogermanes: Synthesis, Structure, and Electronic Properties","Organometallics","2013","32","21","6500","","10.1021/om4008218","","","0.71073","MoKα","","0.0338","0.0225","","","0.0533","0.0559","","","","","","1.036","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081941","11.2711","0.001","11.2711","0.001","25.93","0.005","90","","90","","120","","2852.8","0.7","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","","Tris(pentafluorophenyl)germanium chloride","","- C18 Cl F15 Ge -","- C18 Cl F15 Ge -","- C108 Cl6 F90 Ge6 -","6","0.333333","","Zaitsev, Kirill V.; Kapranov, Andrey A.; Churakov, Andrei V.; Poleshchuk, Oleg Kh.; Oprunenko, Yuri F.; Tarasevich, Boris N.; Zaitseva, Galina S.; Karlov, Sergey S.","“Donor‒Acceptor” Oligogermanes: Synthesis, Structure, and Electronic Properties","Organometallics","2013","32","21","6500","","10.1021/om4008218","","","0.71073","MoKα","","0.0293","0.0251","","","0.068","0.069","","","","","","1.077","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081942","16.5688","0.0015","16.5688","0.0015","8.23","0.0015","90","","90","","120","","1956.6","0.4","150","2","150","2","","","","","","","","5","P -3","-P 3","147","","","","- C39.25 H21.25 Cl0.75 F15 Ge2 -","- C39.25 H21.25 Cl0.75 F15 Ge2 -","- C78.5 H42.5 Cl1.5 F30 Ge4 -","2","0.333333","","Zaitsev, Kirill V.; Kapranov, Andrey A.; Churakov, Andrei V.; Poleshchuk, Oleg Kh.; Oprunenko, Yuri F.; Tarasevich, Boris N.; Zaitseva, Galina S.; Karlov, Sergey S.","“Donor‒Acceptor” Oligogermanes: Synthesis, Structure, and Electronic Properties","Organometallics","2013","32","21","6500","","10.1021/om4008218","","","0.71073","MoKα","","0.0638","0.0484","","","0.1556","0.1635","","","","","","1.185","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081943","20.334","0.004","10.6788","0.0019","21.741","0.004","90","","96.284","0.003","90","","4692.5","1.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 F10 Ge3 -","- C54 H42 F10 Ge3 -","- C216 H168 F40 Ge12 -","4","0.5","","Zaitsev, Kirill V.; Kapranov, Andrey A.; Churakov, Andrei V.; Poleshchuk, Oleg Kh.; Oprunenko, Yuri F.; Tarasevich, Boris N.; Zaitseva, Galina S.; Karlov, Sergey S.","“Donor‒Acceptor” Oligogermanes: Synthesis, Structure, and Electronic Properties","Organometallics","2013","32","21","6500","","10.1021/om4008218","","","0.71073","MoKα","","0.0529","0.0433","","","0.1363","0.1416","","","","","","1.023","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081944","39.581","0.002","39.581","0.002","5.9385","0.0006","90","","90","","120","","8057.1","1","180","2","180","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C18 H F15 Ge -","- C18 H F15 Ge -","- C324 H18 F270 Ge18 -","18","1","","Zaitsev, Kirill V.; Kapranov, Andrey A.; Churakov, Andrei V.; Poleshchuk, Oleg Kh.; Oprunenko, Yuri F.; Tarasevich, Boris N.; Zaitseva, Galina S.; Karlov, Sergey S.","“Donor‒Acceptor” Oligogermanes: Synthesis, Structure, and Electronic Properties","Organometallics","2013","32","21","6500","","10.1021/om4008218","","","0.71073","MoKα","","0.0647","0.0382","","","0.0854","0.0934","","","","","","1","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081945","33.363","0.003","8.3496","0.0008","23.688","0.002","90","","105.248","0.002","90","","6366.4","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H15 F15 Ge2 -","- C36 H15 F15 Ge2 -","- C288 H120 F120 Ge16 -","8","1","","Zaitsev, Kirill V.; Kapranov, Andrey A.; Churakov, Andrei V.; Poleshchuk, Oleg Kh.; Oprunenko, Yuri F.; Tarasevich, Boris N.; Zaitseva, Galina S.; Karlov, Sergey S.","“Donor‒Acceptor” Oligogermanes: Synthesis, Structure, and Electronic Properties","Organometallics","2013","32","21","6500","","10.1021/om4008218","","","0.71073","MoKα","","0.0363","0.0266","","","0.0646","0.0671","","","","","","1.038","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081946","10.5341","0.0002","10.8526","0.0002","13.1145","0.0003","86.941","0.001","85.725","0.001","67.69","0.001","1382.68","0.05","150","2","150","2","","","","","","","","8","P -1","-P 1","2","Et3NH+[(CF3-PCP)Os(H)Cl2]-","","","- C19 H23 Cl2 F12 N O Os P2 -","- C19 H23 Cl2 F12 N O Os P2 -","- C38 H46 Cl4 F24 N2 O2 Os2 P4 -","2","1","","Gruver, Brian C.; Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor Pincer Chemistry of Osmium: Catalytic Alkane Dehydrogenation by (CF3PCP)Os(cod)(H)","Organometallics","2013","32","21","6468","","10.1021/om400823s","","","0.71073","MoKα","","0.0445","0.0319","","","0.0663","0.0714","","","","","","1.023","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081947","7.8601","0.0001","18.9706","0.0002","26.9778","0.0003","90","","90","","90","","4022.68","0.08","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","(CF3-PCP)Os(CO)2Cl","","","- C14 H7 Cl F12 O2 Os P2 -","- C14 H7 Cl F12 O2 Os P2 -","- C112 H56 Cl8 F96 O16 Os8 P16 -","8","1","","Gruver, Brian C.; Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor Pincer Chemistry of Osmium: Catalytic Alkane Dehydrogenation by (CF3PCP)Os(cod)(H)","Organometallics","2013","32","21","6468","","10.1021/om400823s","","","0.71073","MoKα","","0.053","0.0334","","","0.0634","0.0684","","","","","","1.058","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081948","7.4054","0.0003","19.2132","0.0008","13.8511","0.0006","90","","96.834","0.003","90","","1956.75","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(CF3-PCP)Os(CO)2H","","","- C14 H8 F12 O2 Os P2 -","- C14 H8 F12 O2 Os P2 -","- C56 H32 F48 O8 Os4 P8 -","4","1","","Gruver, Brian C.; Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor Pincer Chemistry of Osmium: Catalytic Alkane Dehydrogenation by (CF3PCP)Os(cod)(H)","Organometallics","2013","32","21","6468","","10.1021/om400823s","","","0.71073","MoKα","","0.1002","0.0645","","","0.114","0.1238","","","","","","1.127","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081949","12.2665","0.0001","12.9348","0.0002","14.289","0.0001","90","","93.041","0.001","90","","2263.97","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(CF3-PCP)Os(cod)H","","","- C20 H20 F12 Os P2 -","- C20 H20 F12 Os P2 -","- C80 H80 F48 Os4 P8 -","4","1","","Gruver, Brian C.; Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M.","Acceptor Pincer Chemistry of Osmium: Catalytic Alkane Dehydrogenation by (CF3PCP)Os(cod)(H)","Organometallics","2013","32","21","6468","","10.1021/om400823s","","","0.71073","MoKα","","0.0453","0.032","","","0.0707","0.0755","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081950","10.1613","0.0006","10.1843","0.0005","18.5264","0.0011","89.005","0.004","87.369","0.003","79.343","0.003","1882.09","0.18","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H41 Cl3 Cr N3 O2 P2 -","- C37 H41 Cl3 Cr N3 O2 P2 -","- C74 H82 Cl6 Cr2 N6 O4 P4 -","2","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Synthesis, Structures, and Ethylene Oligomerization Activity of Bis(phosphanylamine)pyridine Chromium/Aluminate Complexes","Organometallics","2013","32","23","7107","","10.1021/om4008289","","","0.71073","MoKα","","0.1057","0.0499","","","0.0735","0.0846","","","","","","0.911","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081951","14.5638","0.0005","18.7481","0.0006","19.679","0.0007","89.61","0.002","73.977","0.002","77.743","0.002","5039.1","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C78.5 H90 Al4 Cl6 Cr2 N6 P4 -","- C78.5 H90 Al4 Cl6 Cr2 N6 P4 -","- C157 H180 Al8 Cl12 Cr4 N12 P8 -","2","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Synthesis, Structures, and Ethylene Oligomerization Activity of Bis(phosphanylamine)pyridine Chromium/Aluminate Complexes","Organometallics","2013","32","23","7107","","10.1021/om4008289","","","0.71073","MoKα","","0.136","0.0824","","","0.2187","0.2522","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081952","15.564","0.002","17.882","0.003","18.987","0.003","90","","100.382","0.003","90","","5197.9","1.4","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Al2 Cl3 Cr N3 P2 -","- C44 H52 Al2 Cl3 Cr N3 P2 -","- C176 H208 Al8 Cl12 Cr4 N12 P8 -","4","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Synthesis, Structures, and Ethylene Oligomerization Activity of Bis(phosphanylamine)pyridine Chromium/Aluminate Complexes","Organometallics","2013","32","23","7107","","10.1021/om4008289","","","0.71073","MoKα","","0.0795","0.0558","","","0.1598","0.1838","","","","","","1.045","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081953","10.4726","0.0002","35.8132","0.0007","27.6642","0.0006","90","","96.015","0.001","90","","10318.5","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H128 Al4 Cl6 Cr2 N6 P4 -","- C97 H128 Al4 Cl6 Cr2 N6 P4 -","- C388 H512 Al16 Cl24 Cr8 N24 P16 -","4","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Synthesis, Structures, and Ethylene Oligomerization Activity of Bis(phosphanylamine)pyridine Chromium/Aluminate Complexes","Organometallics","2013","32","23","7107","","10.1021/om4008289","","","0.71073","MoKα","","0.1171","0.0715","","","0.1606","0.1838","","","","","","1.031","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081954","10.7401","0.0005","12.69","0.0007","17.5709","0.0009","98.811","0.001","105.154","0.001","92.428","0.001","2275.7","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H48.5 Al2 Cl5 Cr N3 P2 -","- C38.5 H48.5 Al2 Cl5 Cr N3 P2 -","- C77 H97 Al4 Cl10 Cr2 N6 P4 -","2","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Synthesis, Structures, and Ethylene Oligomerization Activity of Bis(phosphanylamine)pyridine Chromium/Aluminate Complexes","Organometallics","2013","32","23","7107","","10.1021/om4008289","","","0.71073","MoKα","","0.1037","0.0523","","","0.1198","0.1408","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4081955","16.1105","0.0005","16.601","0.0005","21.1062","0.0007","99.206","0.002","99.641","0.002","117.856","0.001","4732.9","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H86 Al4 Cl8 Cr2 N6 P4 -","- C77 H86 Al4 Cl8 Cr2 N6 P4 -","- C154 H172 Al8 Cl16 Cr4 N12 P8 -","2","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Synthesis, Structures, and Ethylene Oligomerization Activity of Bis(phosphanylamine)pyridine Chromium/Aluminate Complexes","Organometallics","2013","32","23","7107","","10.1021/om4008289","","","0.71073","MoKα","","0.0988","0.0777","","","0.2234","0.2472","","","","","","1.057","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081956","14.7725","0.0015","18.0537","0.0018","19.3363","0.0019","90","","94.966","0.002","90","","5137.6","0.9","99","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H82 N5 Zr -","- C54 H82 N5 Zr -","- C216 H328 N20 Zr4 -","4","1","","Klosin, Jerzy; Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek","Preparation of New Olefin Polymerization Precatalysts by Facile Derivatization of Imino‒Enamido ZrMe3and HfMe3Complexes","Organometallics","2013","32","21","6488","","10.1021/om4008339","","","0.71073","MoKα","","0.0577","0.0375","","","0.0817","0.0905","","","","","","1.013","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081957","24.6355","0.001","20.2804","0.0009","39.6424","0.0016","90","","90","","90","","19806","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C52.5 H78.5 Hf N5 -","- C52.5 H78.5 Hf N5 -","- C840 H1256 Hf16 N80 -","16","2","","Klosin, Jerzy; Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek","Preparation of New Olefin Polymerization Precatalysts by Facile Derivatization of Imino‒Enamido ZrMe3and HfMe3Complexes","Organometallics","2013","32","21","6488","","10.1021/om4008339","","","0.71073","MoKα","","0.04","0.0274","","","0.0557","0.0599","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4081958","17.5453","0.0003","21.5242","0.0003","21.805","0.0003","103.574","0.001","90.342","0.001","106.745","0.001","7641.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C144 H264 Hf4 N12 P4 -","- C144 H264 Hf4 N12 P4 -","- C288 H528 Hf8 N24 P8 -","2","1","","Klosin, Jerzy; Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek","Preparation of New Olefin Polymerization Precatalysts by Facile Derivatization of Imino‒Enamido ZrMe3and HfMe3Complexes","Organometallics","2013","32","21","6488","","10.1021/om4008339","","","0.71073","MoKα","","0.0277","0.0204","","","0.0442","0.0476","","","","","","1.058","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081959","24.9084","0.0007","17.3593","0.0005","16.8788","0.0005","90","","97.595","0.002","90","","7234.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 N2 O Zr -","- C38 H60 N2 O Zr -","- C304 H480 N16 O8 Zr8 -","8","2","","Klosin, Jerzy; Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek","Preparation of New Olefin Polymerization Precatalysts by Facile Derivatization of Imino‒Enamido ZrMe3and HfMe3Complexes","Organometallics","2013","32","21","6488","","10.1021/om4008339","","","0.71073","MoKα","","0.0373","0.0314","","","0.0761","0.0798","","","","","","1.099","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081960","24.9168","0.0016","17.3867","0.0011","16.9033","0.0011","90","","97.633","0.001","90","","7258","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H60 Hf N2 O -","- C38 H60 Hf N2 O -","- C304 H480 Hf8 N16 O8 -","8","2","","Klosin, Jerzy; Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek","Preparation of New Olefin Polymerization Precatalysts by Facile Derivatization of Imino‒Enamido ZrMe3and HfMe3Complexes","Organometallics","2013","32","21","6488","","10.1021/om4008339","","","0.71073","MoKα","","0.0369","0.0262","","","0.0555","0.0598","","","","","","1.079","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081961","20.27","0.0005","19.0646","0.0005","17.7746","0.0005","90","","107.439","0.001","90","","6553.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Hf N2 O -","- C32 H56 Hf N2 O -","- C256 H448 Hf8 N16 O8 -","8","2","","Klosin, Jerzy; Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek","Preparation of New Olefin Polymerization Precatalysts by Facile Derivatization of Imino‒Enamido ZrMe3and HfMe3Complexes","Organometallics","2013","32","21","6488","","10.1021/om4008339","","","0.71073","MoKα","","0.0247","0.0168","","","0.0324","0.0347","","","","","","1.029","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081962","10.3036","0.0006","14.7525","0.0008","21.8687","0.0012","90","","95.061","0.001","90","","3311.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H53 N4 Zr -","- C32 H53 N4 Zr -","- C128 H212 N16 Zr4 -","4","1","","Klosin, Jerzy; Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek","Preparation of New Olefin Polymerization Precatalysts by Facile Derivatization of Imino‒Enamido ZrMe3and HfMe3Complexes","Organometallics","2013","32","21","6488","","10.1021/om4008339","","","0.71073","MoKα","","0.034","0.0263","","","0.0711","0.0761","","","","","","1.06","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081963","13.2165","0.0003","16.1873","0.0003","15.9598","0.0003","90","","105.9","0.001","90","","3283.8","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Hf N4 -","- C32 H56 Hf N4 -","- C128 H224 Hf4 N16 -","4","1","","Klosin, Jerzy; Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek","Preparation of New Olefin Polymerization Precatalysts by Facile Derivatization of Imino‒Enamido ZrMe3and HfMe3Complexes","Organometallics","2013","32","21","6488","","10.1021/om4008339","","","0.71073","MoKα","","0.016","0.0138","","","0.034","0.0355","","","","","","1.093","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081964","4.6031","0.0005","8.06","0.0009","13.9923","0.0015","86.66","0.004","89.391","0.004","74.183","0.004","498.62","0.09","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 O2 P2 -","- C10 H10 O2 P2 -","- C20 H20 O4 P4 -","2","1","","Laughlin, Feng Li; Deligonul, Nihal; Rheingold, Arnold L.; Golen, James A.; Laughlin, Brynna J.; Smith, Rhett C.; Protasiewicz, John D.","Fluorescent Heteroacenes with Multiply-Bonded Phosphorus","Organometallics","2013","32","23","7116","","10.1021/om400838g","","","0.71073","MoKα","","0.0472","0.0421","","","0.1167","0.1214","","","","","","1.07","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081965","10.5582","0.0007","10.069","0.0007","9.5461","0.0007","90","","112.505","0.001","90","","937.57","0.11","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O2 P2 -","- C20 H16 O2 P2 -","- C40 H32 O4 P4 -","2","0.5","","Laughlin, Feng Li; Deligonul, Nihal; Rheingold, Arnold L.; Golen, James A.; Laughlin, Brynna J.; Smith, Rhett C.; Protasiewicz, John D.","Fluorescent Heteroacenes with Multiply-Bonded Phosphorus","Organometallics","2013","32","23","7116","","10.1021/om400838g","","","0.71073","MoKα","","0.042","0.0377","","","0.1164","0.1209","","","","","","1.066","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081966","3.9088","0.0002","19.994","0.001","11.2543","0.0005","90","","93.829","0.003","90","","877.59","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 O2 P2 -","- C24 H14 O2 P2 -","- C48 H28 O4 P4 -","2","0.5","","Laughlin, Feng Li; Deligonul, Nihal; Rheingold, Arnold L.; Golen, James A.; Laughlin, Brynna J.; Smith, Rhett C.; Protasiewicz, John D.","Fluorescent Heteroacenes with Multiply-Bonded Phosphorus","Organometallics","2013","32","23","7116","","10.1021/om400838g","","","1.54178","CuKα","","0.0752","0.0622","","","0.153","0.1625","","","","","","1.046","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081967","19.302","0.005","11.162","0.003","11.311","0.003","90","","90","","90","","2436.9","1.1","113","2","113","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C27 H37 B N2 -","- C27 H37 B N2 -","- C108 H148 B4 N8 -","4","0.5","","Xie, Liang; Zhang, Jianying; Hu, Hongfan; Cui, Chunming","Synthesis and Reactions of π-Conjugated Iminoboranes Stabilized by Intramolecular Imine Groups","Organometallics","2013","32","23","6875","","10.1021/om4008407","","","0.71073","MoKα","","0.0518","0.0456","","","0.1167","0.1213","","","","","","1.095","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081968","10.379","0.006","17.822","0.009","19.778","0.01","90","","90","","90","","3658","3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H57 B N4 -","- C41 H57 B N4 -","- C164 H228 B4 N16 -","4","1","","Xie, Liang; Zhang, Jianying; Hu, Hongfan; Cui, Chunming","Synthesis and Reactions of π-Conjugated Iminoboranes Stabilized by Intramolecular Imine Groups","Organometallics","2013","32","23","6875","","10.1021/om4008407","","","0.71073","MoKα","","0.0522","0.0415","","","0.0848","0.0894","","","","","","0.979","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081969","24.4","0.006","24.4","0.006","8.7778","0.0018","90","","90","","120","","4525.8","1.8","113","2","113","2","","","","","","","","5","P -3","-P 3","147","","","","- C28 H37 B N2 O2 -","- C28 H37 B N2 O2 -","- C168 H222 B6 N12 O12 -","6","1","","Xie, Liang; Zhang, Jianying; Hu, Hongfan; Cui, Chunming","Synthesis and Reactions of π-Conjugated Iminoboranes Stabilized by Intramolecular Imine Groups","Organometallics","2013","32","23","6875","","10.1021/om4008407","","","0.71073","MoKα","","0.0692","0.0553","","","0.1558","0.1641","","","","","","1.116","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081970","32.119","0.003","8.3352","0.0006","14.4906","0.0013","90","","108.667","0.004","90","","3675.3","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 Cl N2 Ru -","- C21 H23 Cl N2 Ru -","- C168 H184 Cl8 N16 Ru8 -","8","1","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0632","0.0396","","","0.0848","0.0935","","","","","","1.011","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081971","23.311","0.0007","14.1997","0.0004","16.9207","0.0005","90","","130.526","0.001","90","","4257.3","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C84 H88 N8 Ru4 -","- C84 H88 N8 Ru4 -","- C168 H176 N16 Ru8 -","2","0.25","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0317","0.0281","","","0.0895","0.091","","","","","","1.144","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081972","14.0061","0.0006","14.1224","0.0006","14.1981","0.0006","106.468","0.002","101.688","0.002","117.988","0.002","2183.45","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C108 H112 N8 Ru4 -","- C108 H112 N8 Ru4 -","- C108 H112 N8 Ru4 -","1","0.5","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0449","0.0306","","","0.0657","0.0714","","","","","","1.022","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081973","14.0317","0.0015","14.4466","0.0013","17.2481","0.0018","90","","90","","90","","3496.4","0.6","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 Ru -","- C21 H22 N2 Ru -","- C168 H176 N16 Ru8 -","8","2","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0725","0.044","","","0.0597","0.0679","","","","","","1.011","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081974","17.5777","0.0005","13.3783","0.0004","17.7492","0.0004","90","","118.886","0.001","90","","3654.59","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H72 Cl2 N4 P2 Ru2 -","- C70 H72 Cl2 N4 P2 Ru2 -","- C140 H144 Cl4 N8 P4 Ru4 -","2","0.5","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0609","0.0418","","","0.1163","0.1238","","","","","","1.023","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081975","16.39","0.0009","19.8377","0.001","18.4074","0.0008","90","","101.495","0.003","90","","5864.9","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H70 N4 P2 Ru2 -","- C70 H70 N4 P2 Ru2 -","- C280 H280 N16 P8 Ru8 -","4","1","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0917","0.0426","","","0.0738","0.0893","","","","","","1.005","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081976","12.8706","0.0008","13.161","0.0009","21.4074","0.0016","95.449","0.003","90.041","0.004","109.632","0.003","3397.9","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H82 N4 P2 Ru2 -","- C75 H82 N4 P2 Ru2 -","- C150 H164 N8 P4 Ru4 -","2","1","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.052","0.037","","","0.0921","0.0969","","","","","","1.057","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081977","10.7964","0.0009","12.7028","0.0009","7.2124","0.0005","90","","100.761","0.004","90","","971.75","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 Cl2 N2 O -","- C11 H4 Cl2 N2 O -","- C44 H16 Cl8 N8 O4 -","4","1","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0429","0.0295","","","0.0715","0.0765","","","","","","1.061","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081978","17.1241","0.0008","8.6582","0.0004","15.3892","0.0007","90","","90","","90","","2281.66","0.18","150","2","150","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C29 H28 N2 -","- C29 H28 N2 -","- C116 H112 N8 -","4","0.5","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0712","0.0441","","","0.1026","0.117","","","","","","1.019","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081979","15.6727","0.0004","15.6727","0.0004","16.6893","0.0004","90","","90","","120","","3550.23","0.15","150","2","150","2","","","","","","","","3","P 32","P 32","145","","","","- C58 H54 N4 -","- C58 H54 N4 -","- C174 H162 N12 -","3","1","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0876","0.0614","","","0.1628","0.1831","","","","","","1.037","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081980","8.6949","0.0005","12.8439","0.0006","18.2838","0.0009","79.607","0.002","86.131","0.002","82.085","0.002","1987.33","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H51 Cl N2 O Ru -","- C43 H51 Cl N2 O Ru -","- C86 H102 Cl2 N4 O2 Ru2 -","2","1","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0466","0.0345","","","0.0792","0.0827","","","","","","1.032","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081981","9.8592","0.0007","16.5819","0.0013","19.8372","0.0016","90","","102.778","0.003","90","","3162.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H42 N2 Ru -","- C39 H42 N2 Ru -","- C156 H168 N8 Ru4 -","4","1","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.1032","0.0502","","","0.0984","0.1146","","","","","","0.996","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081982","13.4181","0.0004","12.5099","0.0004","22.7391","0.0008","90","","102.658","0.001","90","","3724.2","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H48 N2 Ru -","- C45 H48 N2 Ru -","- C180 H192 N8 Ru4 -","4","1","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0585","0.0348","","","0.0735","0.0817","","","","","","1.029","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081983","13.683","0.0005","12.5297","0.0005","22.1209","0.0007","90","","105.315","0.002","90","","3657.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H52 N2 O Ru -","- C43 H52 N2 O Ru -","- C172 H208 N8 O4 Ru4 -","4","1","","Annibale, Vincent T.; Batcup, Rhys; Bai, Tao; Hughes, Sarah J.; Song, Datong","RuCp* Complexes of Ambidentate 4,5-Diazafluorene Derivatives: From Linkage Isomers to Coordination-Driven Self-Assembly","Organometallics","2013","32","21","6511","","10.1021/om400846f","","","0.71073","MoKα","","0.0491","0.0333","","","0.0715","0.0775","","","","","","1.014","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081984","14.7441","0.0014","8.6683","0.0008","16.881","0.003","90","","98.386","0.014","90","","2134.4","0.5","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H12 Cl2 N2 O4 Pt -","- C22 H12 Cl2 N2 O4 Pt -","- C88 H48 Cl8 N8 O16 Pt4 -","4","1","","Vicenzi, Daniele; Sgarbossa, Paolo; Biffis, Andrea; Tubaro, Cristina; Basato, Marino; Michelin, Rino A.; Lanza, Arianna; Nestola, Fabrizio; Bogialli, Sara; Pastore, Paolo; Venzo, Alfonso","Platinum(II) Complexes with Novel Diisocyanide Ligands: Catalysts in Alkyne Hydroarylation","Organometallics","2013","32","23","7153","","10.1021/om400859q","","","0.71073","MoKα","","0.0677","0.0308","","","0.0318","0.0363","","","","","","0.99","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081985","11.871","0.001","8.358","0.001","21.583","0.002","90","","93.142","0.005","90","","2138.2","0.4","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N2 O3 P Pt -","- C22 H19 N2 O3 P Pt -","- C88 H76 N8 O12 P4 Pt4 -","4","1","","Vicenzi, Daniele; Sgarbossa, Paolo; Biffis, Andrea; Tubaro, Cristina; Basato, Marino; Michelin, Rino A.; Lanza, Arianna; Nestola, Fabrizio; Bogialli, Sara; Pastore, Paolo; Venzo, Alfonso","Platinum(II) Complexes with Novel Diisocyanide Ligands: Catalysts in Alkyne Hydroarylation","Organometallics","2013","32","23","7153","","10.1021/om400859q","","","0.71073","MoKα","","0.0369","0.029","","","0.072","0.0763","","","","","","1.053","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081986","26.097","0.004","12.12","0.0014","20.158","0.003","90","","130.299","0.009","90","","4862.8","1.3","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H38 Cl2 N4 O8 Pt2 -","- C49 H38 Cl2 N4 O8 Pt2 -","- C196 H152 Cl8 N16 O32 Pt8 -","4","0.5","","Vicenzi, Daniele; Sgarbossa, Paolo; Biffis, Andrea; Tubaro, Cristina; Basato, Marino; Michelin, Rino A.; Lanza, Arianna; Nestola, Fabrizio; Bogialli, Sara; Pastore, Paolo; Venzo, Alfonso","Platinum(II) Complexes with Novel Diisocyanide Ligands: Catalysts in Alkyne Hydroarylation","Organometallics","2013","32","23","7153","","10.1021/om400859q","","","0.71073","MoKα","","0.1421","0.0507","","","0.0504","0.0645","","","","","","1.059","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081987","19.2099","0.0006","9.593","0.0003","21.3759","0.0007","90","","101.348","0.001","90","","3862.2","0.2","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","C30H38N3NaO2, 2(C7H8)","","","- C44 H54 N3 Na O2 -","- C44 H54 N3 Na O2 -","- C176 H216 N12 Na4 O8 -","4","1","","Zou, Jin; Berg, David J.; Oliver, Allen; Twamley, Brendan","Unusual Redox Chemistry of Ytterbium Carbazole‒Bis(oxazoline) Compounds: Oxidative Coupling of Primary Phosphines by an Ytterbium Carbazole‒Bis(oxazoline) Dialkyl","Organometallics","2013","32","21","6532","","10.1021/om400861d","","","0.71073","MoKα","","0.0837","0.0529","","","0.1233","0.1413","","","","","","1.026","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081988","11.0731","0.0011","20.486","0.002","19.0196","0.0019","90","","96.291","0.002","90","","4288.5","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 N4 O3 Si2 Yb -","- C40 H64 N4 O3 Si2 Yb -","- C160 H256 N16 O12 Si8 Yb4 -","4","1","","Zou, Jin; Berg, David J.; Oliver, Allen; Twamley, Brendan","Unusual Redox Chemistry of Ytterbium Carbazole‒Bis(oxazoline) Compounds: Oxidative Coupling of Primary Phosphines by an Ytterbium Carbazole‒Bis(oxazoline) Dialkyl","Organometallics","2013","32","21","6532","","10.1021/om400861d","","","0.71073","MoKα","","0.0179","0.0148","","","0.0357","0.037","","","","","","1.032","","","","has coordinates,has disorder","178708","2020-10-21","18:00:00",""
"4081989","17.737","0.004","10.48","0.002","16.782","0.003","90","","90","","90","","3119.5","1.1","120","2","120","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C24 H40 B F4 N2 O P2 Rh S2 -","- C24 H40 B F4 N2 O P2 Rh S2 -","- C96 H160 B4 F16 N8 O4 P8 Rh4 S8 -","4","1","","Montag, Michael; Efremenko, Irena; Leitus, Gregory; Ben-David, Yehoshoa; Martin, Jan M. L.; Milstein, David","CO-Induced Methyl Migration in a Rhodium Thiophosphoryl Pincer Complex and Its Comparison with Phosphine-Based Complexes: The Divergent Effects of S and P Donor Ligands","Organometallics","2013","32","23","7163","","10.1021/om4008696","","","0.71073","MoKα","","0.0295","0.0272","","","0.0693","0.0706","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4081990","11.701","0.002","16.033","0.003","12.54","0.003","90","","96.54","0.03","90","","2337.2","0.8","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H68 I2 P4 Rh2 S4 -","- C38 H68 I2 P4 Rh2 S4 -","- C76 H136 I4 P8 Rh4 S8 -","2","0.5","","Montag, Michael; Efremenko, Irena; Leitus, Gregory; Ben-David, Yehoshoa; Martin, Jan M. L.; Milstein, David","CO-Induced Methyl Migration in a Rhodium Thiophosphoryl Pincer Complex and Its Comparison with Phosphine-Based Complexes: The Divergent Effects of S and P Donor Ligands","Organometallics","2013","32","23","7163","","10.1021/om4008696","","","0.71073","MoKα","","0.0566","0.0405","","","0.1018","0.1094","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081991","7.399","0.0015","22.164","0.004","13.295","0.003","90","","102.82","0.03","90","","2125.9","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 P2 S2 -","- C18 H32 P2 S2 -","- C72 H128 P8 S8 -","4","1","","Montag, Michael; Efremenko, Irena; Leitus, Gregory; Ben-David, Yehoshoa; Martin, Jan M. L.; Milstein, David","CO-Induced Methyl Migration in a Rhodium Thiophosphoryl Pincer Complex and Its Comparison with Phosphine-Based Complexes: The Divergent Effects of S and P Donor Ligands","Organometallics","2013","32","23","7163","","10.1021/om4008696","","","0.71073","MoKα","","0.1013","0.0573","","","0.1396","0.1648","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081992","9.377","0.002","10.412","0.002","11.904","0.003","78.484","0.004","76.307","0.004","82.865","0.005","1102.8","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 F3 N4 O4 Ru S -","- C20 H23 F3 N4 O4 Ru S -","- C40 H46 F6 N8 O8 Ru2 S2 -","2","1","","DiMondo, Domenico; Thibault, Michelle E.; Britten, James; Schlaf, Marcel","Comparison of the Catalytic Activity of [(η5-C5H5)Ru(2,2′-bipyridine)(L)]OTf versus [(η5-C5H5)Ru(6,6′-diamino-2,2′-bipyridine)(L)]OTf (L = labile ligand) in the Hydrogenation of Cyclohexanone. Evidence for the Presence of a Metal‒Ligand Bifunctional Mechanism under Acidic Conditions","Organometallics","2013","32","21","6541","","10.1021/om400871v","","","0.71073","MoKα","","0.0885","0.0543","","","0.101","0.1167","","","","","","0.973","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081993","10.4103","0.0004","23.045","0.0007","12.0078","0.0004","90","","94.001","0.003","90","","2873.71","0.17","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 Cl N O P2 Rh -","- C27 H49 Cl N O P2 Rh -","- C108 H196 Cl4 N4 O4 P8 Rh4 -","4","1","","Pellegrino, Juan; Gaviglio, Carina; Milstein, David; Doctorovich, Fabio","Electron Transfer Behavior of Pincer-Type {RhNO}8Complexes: Spectroscopic Characterization and Reactivity of Paramagnetic {RhNO}9Complexes","Organometallics","2013","32","21","6555","","10.1021/om4008746","","","0.71073","MoKα","","0.062","0.0531","","","0.1252","0.1322","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4081994","32.567","0.005","11.0531","0.0008","16.7505","0.0013","90","","100.957","0.012","90","","5919.7","1.1","130","2","130","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H32 Ni O2 P2 -","- C16 H32 Ni O2 P2 -","- C192 H384 Ni12 O24 P24 -","12","1.5","","González-Sebastián, Lucero; Flores-Alamo, Marcos; Garc\?ía, Juventino J.","Nickel-Catalyzed Hydrosilylation of CO2in the Presence of Et3B for the Synthesis of Formic Acid and Related Formates","Organometallics","2013","32","23","7186","","10.1021/om400876j","","x-ray","0.71073","MoKα","","0.0795","0.0479","","","0.0974","0.1144","","","","","","1.02","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081995","19.682","0.002","14.4566","0.0017","20.905","0.003","90","","90","","90","","5948.2","1.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H38 Cl F6 Ir O P2 -","- C29 H38 Cl F6 Ir O P2 -","- C232 H304 Cl8 F48 Ir8 O8 P16 -","8","1","","Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.","Cyclometalated Iridium Complexes from Intramolecular C‒H Activation of [IrCp*Cl{═C(OMe)CH═C(CH3)R}L] (R = CH3, Ph; L = PPh2Me, PMe3)","Organometallics","2013","32","23","7241","","10.1021/om4008778","","","0.71073","MoKα","","0.1442","0.0537","","","0.104","0.1515","","","","","","1.027","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081996","16.486","0.003","18.667","0.004","19.25","0.004","90","","93.303","0.004","90","","5914","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H74 F12 Ir2 O2 P4 -","- C58 H74 F12 Ir2 O2 P4 -","- C232 H296 F48 Ir8 O8 P16 -","4","1","","Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.","Cyclometalated Iridium Complexes from Intramolecular C‒H Activation of [IrCp*Cl{═C(OMe)CH═C(CH3)R}L] (R = CH3, Ph; L = PPh2Me, PMe3)","Organometallics","2013","32","23","7241","","10.1021/om4008778","","","0.71073","MoKα","","0.0633","0.0459","","","0.1279","0.1372","","","","","","1.051","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081997","13.185","0.011","12.282","0.011","14.85","0.013","90","","103.214","0.015","90","","2341","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H33 F6 Ir O P2 -","- C19 H33 F6 Ir O P2 -","- C76 H132 F24 Ir4 O4 P8 -","4","1","","Talavera, M.; Bolaño, S.; Bravo, J.; Castro, J.; Garc\?ía-Fontán, S.","Cyclometalated Iridium Complexes from Intramolecular C‒H Activation of [IrCp*Cl{═C(OMe)CH═C(CH3)R}L] (R = CH3, Ph; L = PPh2Me, PMe3)","Organometallics","2013","32","23","7241","","10.1021/om4008778","","","0.71073","MoKα","","0.0583","0.0394","","","0.0931","0.106","","","","","","1.059","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081998","16.793","0.003","16.677","0.003","9.6628","0.0017","90","","90","","90","","2706.1","0.8","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","(PNP)NiOCHO","","","- C27 H41 N Ni O2 P2 -","- C27 H41 N Ni O2 P2 -","- C108 H164 N4 Ni4 O8 P8 -","4","1","","Yoo, Changho; Kim, Jin; Lee, Yunho","Synthesis and Reactivity of Nickel(II) Hydroxycarbonyl Species, NiCOOH-κC","Organometallics","2013","32","23","7195","","10.1021/om400881j","","","0.71073","MoKα","","0.1233","0.0505","","","0.0621","0.0788","","","","","","0.715","","","","has coordinates","178708","2020-10-21","18:00:00",""
"4081999","9.0518","0.0001","9.7357","0.0002","17.5938","0.0003","76.411","0.001","85.498","0.001","83.95","0.001","1496.35","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(PNP)NiCOOH","","","- C29.5 H41 N Ni O2 P2 -","- C29.5 H41 N Ni O2 P2 -","- C59 H82 N2 Ni2 O4 P4 -","2","1","","Yoo, Changho; Kim, Jin; Lee, Yunho","Synthesis and Reactivity of Nickel(II) Hydroxycarbonyl Species, NiCOOH-κC","Organometallics","2013","32","23","7195","","10.1021/om400881j","","","0.71073","MoKα","","0.0504","0.0445","","","0.111","0.1155","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082000","17.023","0.003","10.137","0.002","16.716","0.003","90","","90","","90","","2884.5","0.9","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","(PNPH)Ni(CO)2","","","- C28 H41 N Ni O2 P2 -","- C28 H41 N Ni O2 P2 -","- C112 H164 N4 Ni4 O8 P8 -","4","1","","Yoo, Changho; Kim, Jin; Lee, Yunho","Synthesis and Reactivity of Nickel(II) Hydroxycarbonyl Species, NiCOOH-κC","Organometallics","2013","32","23","7195","","10.1021/om400881j","","","0.69999","synchrotron","","0.037","0.0362","","","0.0973","0.098","","","","","","1.043","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082001","13.801","0.003","15.714","0.003","16.722","0.003","62.16","0.03","67.7","0.03","70.62","0.03","2913.4","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(PNP)NiCOONi(PNP)","","","- C57 H90 N2 Ni2 O3 P4 -","- C57 H90 N2 Ni2 O3 P4 -","- C114 H180 N4 Ni4 O6 P8 -","2","1","","Yoo, Changho; Kim, Jin; Lee, Yunho","Synthesis and Reactivity of Nickel(II) Hydroxycarbonyl Species, NiCOOH-κC","Organometallics","2013","32","23","7195","","10.1021/om400881j","","","0.63","synchrotron","","0.0534","0.0462","","","0.1306","0.1349","","","","","","1.061","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082002","9.7674","0.0007","11.7304","0.0009","13.0891","0.001","87.759","0.004","79.411","0.003","89.846","0.003","1473.01","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","{(PNP)NiCO}{BF4}","","","- C27 H40 B F4 N Ni O P2 -","- C27 H40 B F4 N Ni O P2 -","- C54 H80 B2 F8 N2 Ni2 O2 P4 -","2","1","","Yoo, Changho; Kim, Jin; Lee, Yunho","Synthesis and Reactivity of Nickel(II) Hydroxycarbonyl Species, NiCOOH-κC","Organometallics","2013","32","23","7195","","10.1021/om400881j","","","0.71073","MoKα","","0.0328","0.0283","","","0.0736","0.0763","","","","","","1.053","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082003","12.278","0.003","9.78","0.002","27.313","0.006","90","","93.64","0.03","90","","3273.1","1.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(PNP)NiCOOMe","","","- C34 H49 N Ni O2 P2 -","- C33.999 H48.997 N Ni O2 P2 -","- C135.996 H195.988 N4 Ni4 O8 P8 -","4","1","","Yoo, Changho; Kim, Jin; Lee, Yunho","Synthesis and Reactivity of Nickel(II) Hydroxycarbonyl Species, NiCOOH-κC","Organometallics","2013","32","23","7195","","10.1021/om400881j","","","0.63","synchrotron","","0.0747","0.0484","","","0.1321","0.1495","","","","","","0.939","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082004","10.8747","0.0015","11.6006","0.0015","12.988","0.0018","97.703","0.009","91.157","0.009","117.088","0.008","1439.4","0.4","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 Cl3 Cr N P2 -","- C31 H27 Cl3 Cr N P2 -","- C62 H54 Cl6 Cr2 N2 P4 -","2","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand","Organometallics","2013","32","23","7204","","10.1021/om4008828","","","0.71073","MoKα","","0.1406","0.0848","","","0.203","0.2343","","","","","","1.015","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082005","9.8344","0.0003","14.4109","0.0005","23.1807","0.0008","90","","91.444","0.001","90","","3284.18","0.19","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Cl2 Cr N O P2 -","- C35 H35 Cl2 Cr N O P2 -","- C140 H140 Cl8 Cr4 N4 O4 P8 -","4","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand","Organometallics","2013","32","23","7204","","10.1021/om4008828","","","0.71073","MoKα","","0.0607","0.0372","","","0.0933","0.1095","","","","","","0.914","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082006","11.3819","0.0003","14.0201","0.0004","11.7219","0.0003","90","","114.619","0.001","90","","1700.49","0.08","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C33 H33 Al3 Cl2 Cr N P -","- C33 H33 Al Cl3 Cr N P2 -","- C66 H66 Al2 Cl6 Cr2 N2 P4 -","2","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand","Organometallics","2013","32","23","7204","","10.1021/om4008828","","","0.71073","MoKα","","0.0489","0.0384","","","0.0965","0.1032","","","","","","1.065","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082007","8.675","0.0002","13.8772","0.0003","16.3811","0.0004","99.287","0.001","90.187","0.001","101.09","0.001","1908.64","0.08","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.5 H41 Al Cl3 Cr N P2 -","- C38.5 H41 Al Cl3 Cr N P2 -","- C77 H82 Al2 Cl6 Cr2 N2 P4 -","2","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand","Organometallics","2013","32","23","7204","","10.1021/om4008828","","","0.71073","MoKα","","0.0571","0.044","","","0.1121","0.1205","","","","","","1.004","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082008","11.0441","0.0002","12.5327","0.0002","16.3772","0.0003","106.495","0.001","95.143","0.001","91.673","0.001","2161.22","0.07","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H47 Al2 Cl5 Cr N P2 -","- C39 H47 Al2 Cl5 Cr N P2 -","- C78 H94 Al4 Cl10 Cr2 N2 P4 -","2","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand","Organometallics","2013","32","23","7204","","10.1021/om4008828","","","0.71073","MoKα","","0.0765","0.0489","","","0.1175","0.1302","","","","","","1.026","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082009","18.27","0.002","30.639","0.004","13.5899","0.0017","90","","114.266","0.007","90","","6935.2","1.5","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C57.5 H74 Al2 Cl3 Cr N P2 -","- C57.5 H74 Al2 Cl3 Cr N P2 -","- C230 H296 Al8 Cl12 Cr4 N4 P8 -","4","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand","Organometallics","2013","32","23","7204","","10.1021/om4008828","","","0.71073","MoKα","","0.093","0.062","","","0.1588","0.18","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082010","17.5558","0.0012","17.556","","26.847","0.002","90","","90","","90","","8274.5","0.8","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C86 H108 Al2 Cl Cr N2 P4 -","- C86 H108 Al2 Cl Cr N2 P4 -","- C344 H432 Al8 Cl4 Cr4 N8 P16 -","4","1","","Alzamly, Ahmed; Gambarotta, Sandro; Korobkov, Ilia","Polymer-Free Ethylene Oligomerization Using a Pyridine-Based Pincer PNP-Type of Ligand","Organometallics","2013","32","23","7204","","10.1021/om4008828","","","0.71073","MoKα","","0.0623","0.0505","","","0.1324","0.1424","","","","","","1.03","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082011","17.7678","0.0002","15.11045","0.00015","18.425","0.0002","90","","104.971","0.0012","90","","4778.83","0.09","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C37 H90 B10 N6 -","- C37 H90 B10 N6 -","- C148 H360 B40 N24 -","4","1","","Mindich, Aleksey L.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Starova, Galina L.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Miltsov, Serguei A.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","Borylated Tetrazoles from Cycloaddition of Azide Anions to Nitrilium Derivatives ofcloso-Decaborate Clusters","Organometallics","2013","32","21","6576","","10.1021/om400892x","","","1.54184","CuKα","","0.0456","0.0403","","","0.1053","0.1113","","","","","","1.038","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082012","14.6915","0.0006","9.4791","0.0007","20.7104","0.001","90","","100.301","0.004","90","","2837.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H51 B10 N5 -","- C19 H51 B10 N5 -","- C76 H204 B40 N20 -","4","1","","Mindich, Aleksey L.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Starova, Galina L.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Miltsov, Serguei A.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","Borylated Tetrazoles from Cycloaddition of Azide Anions to Nitrilium Derivatives ofcloso-Decaborate Clusters","Organometallics","2013","32","21","6576","","10.1021/om400892x","","","0.71073","MoKα","","0.1254","0.0657","","","0.1221","0.1458","","","","","","1.015","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082013","10.18626","0.00015","13.50136","0.00019","25.5064","0.0003","90","","90","","90","","3507.85","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H57 B10 N5 O -","- C27 H57 B10 N5 O -","- C108 H228 B40 N20 O4 -","4","1","","Mindich, Aleksey L.; Bokach, Nadezhda A.; Kuznetsov, Maxim L.; Starova, Galina L.; Zhdanov, Andrey P.; Zhizhin, Konstantin Yu.; Miltsov, Serguei A.; Kuznetsov, Nikolay T.; Kukushkin, Vadim Yu.","Borylated Tetrazoles from Cycloaddition of Azide Anions to Nitrilium Derivatives ofcloso-Decaborate Clusters","Organometallics","2013","32","21","6576","","10.1021/om400892x","","","1.54184","CuKα","","0.0335","0.0321","","","0.0863","0.0879","","","","","","1.028","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082014","16.8816","0.0008","16.8816","0.0008","23.874","","90","","90","","90","","6803.8","0.5","133","2","133","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C13 H22 B Cl2 N2 Sc -","- C13 H22 B Cl2 N2 Sc -","- C208 H352 B16 Cl32 N32 Sc16 -","16","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0253","0.0216","","","0.0526","0.0547","","","","","","1.083","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082015","11.628","0.0011","14.3306","0.0013","15.9346","0.0015","90","","91.576","0.002","90","","2654.3","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H44 B N2 Sc Si2 -","- C21 H44 B N2 Sc Si2 -","- C84 H176 B4 N8 Sc4 Si8 -","4","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0546","0.0372","","","0.1015","0.1116","","","","","","1.046","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082016","10.3993","0.001","18.3187","0.0017","28.328","0.003","90","","90","","90","","5396.5","0.9","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H44 B Lu N2 Si2 -","- C21 H44 B Lu N2 Si2 -","- C168 H352 B8 Lu8 N16 Si16 -","8","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0311","0.0275","","","0.1125","0.1181","","","","","","1.027","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082017","10.4773","0.0016","18.341","0.003","28.397","0.004","90","","90","","90","","5456.9","1.4","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H44 B N2 Si2 Y -","- C21 H44 B N2 Si2 Y -","- C168 H352 B8 N16 Si16 Y8 -","8","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0772","0.0397","","","0.0795","0.0912","","","","","","1.035","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082018","9.9004","0.0017","13.29","0.002","17.87","0.003","90","","90","","90","","2351.3","0.7","133","2","133","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 B Cl3 N2 Zr -","- C20 H30 B Cl3 N2 Zr -","- C80 H120 B4 Cl12 N8 Zr4 -","4","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0505","0.0395","","","0.0939","0.1","","","","","","1.031","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082019","10.2938","0.0011","18.1574","0.0019","11.13","0.0012","90","","93.944","0.002","90","","2075.4","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 B Cl2 Cr N2 -","- C19 H28 B Cl2 Cr N2 -","- C76 H112 B4 Cl8 Cr4 N8 -","4","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0464","0.0316","","","0.0745","0.0811","","","","","","1.015","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082020","9.712","0.002","15.148","0.003","19.536","0.004","95.239","0.003","90.298","0.003","92.885","0.004","2858.3","1","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H48 B Lu N2 Si2 -","- C23 H48 B Lu N2 Si2 -","- C92 H192 B4 Lu4 N8 Si8 -","4","2","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0779","0.0549","","","0.1663","0.1994","","","","","","1.11","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082021","12.7151","0.001","13.9975","0.0011","18.9216","0.0015","90","","95.76","0.001","90","","3350.7","0.5","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H56 B Lu N2 Si2 -","- C29 H56 B Lu N2 Si2 -","- C116 H224 B4 Lu4 N8 Si8 -","4","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0272","0.0193","","","0.0417","0.0445","","","","","","1.045","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082022","11.2927","0.0011","18.663","0.0019","15.6404","0.0015","90","","98.225","0.002","90","","3262.4","0.6","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H50 B Lu N2 Si2 -","- C28 H50 B Lu N2 Si2 -","- C112 H200 B4 Lu4 N8 Si8 -","4","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0659","0.0359","","","0.0785","0.0893","","","","","","1.069","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082023","10.817","0.002","11.05","0.002","16.18","0.003","78.263","0.004","75.43","0.004","64.158","0.003","1674.8","0.5","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H56 B N2 Si2 Y -","- C29 H56 B N2 Si2 Y -","- C58 H112 B2 N4 Si4 Y2 -","2","1","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.0907","0.0579","","","0.1495","0.1793","","","","","","1.029","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082024","8.907","0.004","14.937","0.007","15.214","0.007","103.623","0.008","97.051","0.009","93.087","0.009","1945.1","1.5","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H26 B Cl2 Cr N2 -","- C15 H26 B Cl2 Cr N2 -","- C60 H104 B4 Cl8 Cr4 N8 -","4","2","","Wang, Xiufang; Peng, Weijie; Cui, Peng; Leng, Xuebing; Xia, Wei; Chen, Yaofeng","Synthesis and Catalytic Activity of Amido-Boratabenzene Complexes of Rare-Earth Metals and Zirconium and Chromium","Organometallics","2013","32","21","6166","","10.1021/om400893c","","","0.71073","MoKα","","0.1453","0.0731","","","0.1806","0.2235","","","","","","1.006","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082025","18.2092","0.0013","11.3656","0.0008","12.8405","0.0009","90","","114.352","0.002","90","","2421","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 Cu F2 N4 O -","- C28 H27 Cu F2 N4 O -","- C112 H108 Cu4 F8 N16 O4 -","4","0.5","","Liu, Yanpin; Chen, Chaohuang; Li, Huaifeng; Huang, Kuo-Wei; Tan, Jianwei; Weng, Zhiqiang","Efficient SN2 Fluorination of Primary and Secondary Alkyl Bromides by Copper(I) Fluoride Complexes","Organometallics","2013","32","21","6587","","10.1021/om4008967","","","0.71073","MoKα","","0.047","0.0414","","","0.1072","0.1108","","","","","","1.049","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082026","14.597","0.002","6.9879","0.0011","27.657","0.004","90","","94.647","0.004","90","","2811.8","0.7","243","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Cu F4 N3 -","- C26 H39 Cu F4 N3 -","- C104 H156 Cu4 F16 N12 -","4","1","","Liu, Yanpin; Chen, Chaohuang; Li, Huaifeng; Huang, Kuo-Wei; Tan, Jianwei; Weng, Zhiqiang","Efficient SN2 Fluorination of Primary and Secondary Alkyl Bromides by Copper(I) Fluoride Complexes","Organometallics","2013","32","21","6587","","10.1021/om4008967","","","0.71073","MoKα","","0.1494","0.0953","","","0.2855","0.3239","","","","","","1.066","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082027","19.538","0.0018","19.538","0.0018","9.734","0.002","90","","90","","90","","3715.8","0.9","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H25 Cu F2 N2 -","- C20 H25 Cu F2 N2 -","- C160 H200 Cu8 F16 N16 -","8","1","","Liu, Yanpin; Chen, Chaohuang; Li, Huaifeng; Huang, Kuo-Wei; Tan, Jianwei; Weng, Zhiqiang","Efficient SN2 Fluorination of Primary and Secondary Alkyl Bromides by Copper(I) Fluoride Complexes","Organometallics","2013","32","21","6587","","10.1021/om4008967","","","0.71073","MoKα","","0.146","0.0813","","","0.1918","0.2238","","","","","","1.049","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082028","9.035","0.002","12.178","0.003","14.405","0.003","90","","99.573","0.004","90","","1562.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H42 N2 O2 Zn2 -","- C40 H42 N2 O2 Zn2 -","- C80 H84 N4 O4 Zn4 -","2","0.5","","Mukherjee, Arup; Sen, Tamal K.; Ghorai, Pradip Kr.; Mandal, Swadhin K.","Organozinc Catalyst on a Phenalenyl Scaffold for Intramolecular Hydroamination of Aminoalkenes","Organometallics","2013","32","23","7213","","10.1021/om400906u","","","0.71073","MoKα","","0.0418","0.0318","","","0.0756","0.0796","","","","","","1.059","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082029","21.5916","0.0006","12.3044","0.0004","16.4599","0.0004","90","","105.688","0.002","90","","4210","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 Zn -","- C26 H32 N2 Zn -","- C208 H256 N16 Zn8 -","8","1","","Mukherjee, Arup; Sen, Tamal K.; Ghorai, Pradip Kr.; Mandal, Swadhin K.","Organozinc Catalyst on a Phenalenyl Scaffold for Intramolecular Hydroamination of Aminoalkenes","Organometallics","2013","32","23","7213","","10.1021/om400906u","","","0.71073","MoKα","","0.0605","0.0404","","","0.0927","0.1023","","","","","","1.041","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082030","11.7715","0.0006","11.7715","0.0006","29.608","0.003","90","","90","","90","","4102.7","0.5","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C44 H52 Cu F6 N4 P -","- C44 H52 Cu F6 N4 P -","- C176 H208 Cu4 F24 N16 P4 -","4","0.5","","Guo, Shuai; Lim, Miao Hui; Huynh, Han Vinh","Copper(I) Heteroleptic Bis(NHC) and Mixed NHC/Phosphine Complexes: Syntheses and Catalytic Activities in the One-Pot Sequential CuAAC Reaction of Aromatic Amines","Organometallics","2013","32","23","7225","","10.1021/om400911u","","","0.71073","MoKα","","0.0533","0.0413","","","0.1097","0.1197","","","","","","1.089","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082031","9.566","0.01","13.125","0.014","16.287","0.017","90","","96.61","0.04","90","","2031","4","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C40 H54 Cu F6 N4 P -","- C40 H54 Cu F6 N4 P -","- C80 H108 Cu2 F12 N8 P2 -","2","1","","Guo, Shuai; Lim, Miao Hui; Huynh, Han Vinh","Copper(I) Heteroleptic Bis(NHC) and Mixed NHC/Phosphine Complexes: Syntheses and Catalytic Activities in the One-Pot Sequential CuAAC Reaction of Aromatic Amines","Organometallics","2013","32","23","7225","","10.1021/om400911u","","","0.71073","MoKα","","0.1191","0.075","","","0.1666","0.1983","","","","","","0.988","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082032","9.2075","0.0012","24.347","0.003","18.989","0.002","90","","98.763","0.003","90","","4207.2","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H49 Cl3 Cu F6 N4 P -","- C39 H49 Cl3 Cu F6 N4 P -","- C156 H196 Cl12 Cu4 F24 N16 P4 -","4","1","","Guo, Shuai; Lim, Miao Hui; Huynh, Han Vinh","Copper(I) Heteroleptic Bis(NHC) and Mixed NHC/Phosphine Complexes: Syntheses and Catalytic Activities in the One-Pot Sequential CuAAC Reaction of Aromatic Amines","Organometallics","2013","32","23","7225","","10.1021/om400911u","","","0.71073","MoKα","","0.0939","0.078","","","0.2092","0.2214","","","","","","1.085","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082033","11.8195","0.0017","11.8195","0.0017","30.481","0.009","90","","90","","90","","4258.2","1.5","100","2","100","2","","","","","","","","6","P 43","P 4cw","78","","","","- C45 H51 Cu F6 N2 P2 -","- C45 H51 Cu F6 N2 P2 -","- C180 H204 Cu4 F24 N8 P8 -","4","1","","Guo, Shuai; Lim, Miao Hui; Huynh, Han Vinh","Copper(I) Heteroleptic Bis(NHC) and Mixed NHC/Phosphine Complexes: Syntheses and Catalytic Activities in the One-Pot Sequential CuAAC Reaction of Aromatic Amines","Organometallics","2013","32","23","7225","","10.1021/om400911u","","","0.71073","MoKα","","0.1335","0.0975","","","0.1979","0.2113","","","","","","1.129","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082034","25.5858","0.0011","15.3973","0.0007","25.8328","0.0012","90","","94.397","0.001","90","","10146.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H60 Cu F6 N2 P3 -","- C53 H60 Cu F6 N2 P3 -","- C424 H480 Cu8 F48 N16 P24 -","8","2","","Guo, Shuai; Lim, Miao Hui; Huynh, Han Vinh","Copper(I) Heteroleptic Bis(NHC) and Mixed NHC/Phosphine Complexes: Syntheses and Catalytic Activities in the One-Pot Sequential CuAAC Reaction of Aromatic Amines","Organometallics","2013","32","23","7225","","10.1021/om400911u","","","0.71073","MoKα","","0.092","0.0618","","","0.1294","0.1464","","","","","","1.054","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082035","12.517","0.002","23.36","0.004","20.715","0.004","90","","91.851","0.006","90","","6053.8","1.8","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C62.75 H67.25 Cl2.25 Cu F6 Fe N2 O0.25 P3 -","- C62.759 H67.277 Cl2.241 Cu F6 Fe N2 O0.253 P3 -","- C251.036 H269.108 Cl8.964 Cu4 F24 Fe4 N8 O1.012 P12 -","4","1","","Guo, Shuai; Lim, Miao Hui; Huynh, Han Vinh","Copper(I) Heteroleptic Bis(NHC) and Mixed NHC/Phosphine Complexes: Syntheses and Catalytic Activities in the One-Pot Sequential CuAAC Reaction of Aromatic Amines","Organometallics","2013","32","23","7225","","10.1021/om400911u","","","0.71073","MoKα","","0.111","0.0589","","","0.1111","0.1281","","","","","","0.955","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082036","8.47","0.0005","10.775","0.001","24.981","0.003","93.583","0.008","94.994","0.008","101.075","0.007","2221.6","0.4","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cl N4 O4 -","- C21 H27 Cl N4 O4 -","- C84 H108 Cl4 N16 O16 -","4","2","","Turek, Jan; Panov, Illia; Horáček, Michal; Černošek, Zdeněk; Padělková, Zdeňka; Růžička, Aleš","Amino Group Functionalized N-Heterocyclic 1,2,4-Triazole-Derived Carbenes: Structural Diversity of Rhodium(I) Complexes","Organometallics","2013","32","23","7234","","10.1021/om400912s","","","0.71073","MoKα","","0.1487","0.1348","","","0.2907","0.2972","","","","","","1.082","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082037","10.5048","0.0006","10.614","0.0005","14.3551","0.0005","107.013","0.004","96.919","0.004","113.477","0.005","1351.59","0.14","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H38 Cl N4 Rh -","- C29 H38 Cl N4 Rh -","- C58 H76 Cl2 N8 Rh2 -","2","1","","Turek, Jan; Panov, Illia; Horáček, Michal; Černošek, Zdeněk; Padělková, Zdeňka; Růžička, Aleš","Amino Group Functionalized N-Heterocyclic 1,2,4-Triazole-Derived Carbenes: Structural Diversity of Rhodium(I) Complexes","Organometallics","2013","32","23","7234","","10.1021/om400912s","","","0.71073","MoKα","","0.0473","0.0337","","","0.0596","0.0644","","","","","","1.096","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082038","9.555","0.0006","17.7281","0.001","15.681","0.0009","90","","94.824","0.004","90","","2646.8","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Cl N4 O Rh -","- C27 H38 Cl N4 O Rh -","- C108 H152 Cl4 N16 O4 Rh4 -","4","1","","Turek, Jan; Panov, Illia; Horáček, Michal; Černošek, Zdeněk; Padělková, Zdeňka; Růžička, Aleš","Amino Group Functionalized N-Heterocyclic 1,2,4-Triazole-Derived Carbenes: Structural Diversity of Rhodium(I) Complexes","Organometallics","2013","32","23","7234","","10.1021/om400912s","","","0.71073","MoKα","","0.0556","0.0354","","","0.0712","0.0829","","","","","","1.097","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082039","11.0901","0.0004","12.14","0.0006","12.5779","0.0007","65.312","0.005","64.556","0.005","76.619","0.004","1386.6","0.14","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H40 Cl N4 Rh -","- C29 H40 Cl N4 Rh -","- C58 H80 Cl2 N8 Rh2 -","2","1","","Turek, Jan; Panov, Illia; Horáček, Michal; Černošek, Zdeněk; Padělková, Zdeňka; Růžička, Aleš","Amino Group Functionalized N-Heterocyclic 1,2,4-Triazole-Derived Carbenes: Structural Diversity of Rhodium(I) Complexes","Organometallics","2013","32","23","7234","","10.1021/om400912s","","","0.71073","MoKα","","0.0378","0.03","","","0.0669","0.0704","","","","","","1.094","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082040","9.567","0.001","17.2141","0.0012","33.433","0.002","90","","90","","90","","5506","0.8","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 Cl N4 O Rh -","- C25.5 H30 Cl N4 O Rh -","- C204 H240 Cl8 N32 O8 Rh8 -","8","2","","Turek, Jan; Panov, Illia; Horáček, Michal; Černošek, Zdeněk; Padělková, Zdeňka; Růžička, Aleš","Amino Group Functionalized N-Heterocyclic 1,2,4-Triazole-Derived Carbenes: Structural Diversity of Rhodium(I) Complexes","Organometallics","2013","32","23","7234","","10.1021/om400912s","","","0.71073","MoKα","","0.0495","0.0386","","","0.0679","0.0713","","","","","","1.059","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082041","18.788","0.004","14.0857","0.0009","17.007","0.002","90","","106.775","0.015","90","","4309.2","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 Fe2 O6 P2 S2 -","- C50 H34 Fe2 O6 P2 S2 -","- C200 H136 Fe8 O24 P8 S8 -","4","0.5","","Hall, Gabriel B.; Chen, Jinzhu; Mebi, Charles A.; Okumura, Noriko; Swenson, Matthew T.; Ossowski, Stephanie E.; Zakai, Uzma I.; Nichol, Gary S.; Lichtenberger, Dennis L.; Evans, Dennis H.; Glass, Richard S.","Redox Chemistry of Noninnocent Quinones Annulated to 2Fe2S Cores","Organometallics","2013","32","21","6605","","10.1021/om400913p","","","0.71073","MoKα","","0.0356","0.0279","","","0.0754","0.0771","","","","","","1.085","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082042","21.1687","0.0004","13.6236","0.0002","15.7156","0.0003","90","","114.066","0.002","90","","4138.32","0.14","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 Cr2 N8 -","- C48 H46 Cr2 N8 -","- C192 H184 Cr8 N32 -","4","0.5","","Stevens, Charlotte J.; Nichol, Gary S.; Arnold, Polly L.; Love, Jason B.","Isocyanide and Phosphine Oxide Coordination in Binuclear Chromium Pacman Complexes","Organometallics","2013","32","23","6879","","10.1021/om4009313","","","0.7107","MoKα","","0.0478","0.0361","","","0.1005","0.1124","","","","","","0.685","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082043","8.8576","0.0002","11.7478","0.0003","24.1946","0.0005","92.446","0.002","99.316","0.002","96.709","0.002","2462.53","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H54 Cr2 F N9 -","- C57 H54 Cr2 F N9 -","- C114 H108 Cr4 F2 N18 -","2","1","","Stevens, Charlotte J.; Nichol, Gary S.; Arnold, Polly L.; Love, Jason B.","Isocyanide and Phosphine Oxide Coordination in Binuclear Chromium Pacman Complexes","Organometallics","2013","32","23","6879","","10.1021/om4009313","","","0.71073","MoKα","","0.0592","0.0427","","","0.1033","0.1113","","","","","","1.025","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082044","9.6071","0.0002","19.8185","0.0005","13.4726","0.0003","90","","90.911","0.002","90","","2564.84","0.1","170","2","170","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C59 H61 Cr2 N9 -","- C59 H61 Cr2 N9 -","- C118 H122 Cr4 N18 -","2","0.5","","Stevens, Charlotte J.; Nichol, Gary S.; Arnold, Polly L.; Love, Jason B.","Isocyanide and Phosphine Oxide Coordination in Binuclear Chromium Pacman Complexes","Organometallics","2013","32","23","6879","","10.1021/om4009313","","","0.71073","MoKα","","0.0452","0.0343","","","0.082","0.087","","","","","","1.015","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082045","17.3884","0.0002","17.3884","0.0002","43.7105","0.0008","90","","90","","90","","13216.2","0.3","120","2","120","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C78 H70 Cr2 N8 O2 P2 -","- C78 H70 Cr2 N8 O2 P2 -","- C624 H560 Cr16 N64 O16 P16 -","8","0.5","","Stevens, Charlotte J.; Nichol, Gary S.; Arnold, Polly L.; Love, Jason B.","Isocyanide and Phosphine Oxide Coordination in Binuclear Chromium Pacman Complexes","Organometallics","2013","32","23","6879","","10.1021/om4009313","","","1.54184","CuKα","","0.0416","0.0382","","","0.108","0.1111","","","","","","1.062","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082046","11.789","0.004","13.797","0.006","15.242","0.005","108.086","0.014","108.487","0.013","100.641","0.016","2122","1.4","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H30 Fe -","- C30 H30 Fe -","- C120 H120 Fe4 -","4","2","","Ogasawara, Masamichi; Wu, Wei-Yi; Arae, Sachie; Nakajima, Kiyohiko; Takahashi, Tamotsu","Inter- versus Intraannular Ring-Closing Metathesis of Polyallylferrocenes: Five-Fold RCM within a Single Molecule","Organometallics","2013","32","21","6593","","10.1021/om400936b","","","0.71075","MoKα","","0.1054","0.071","","","0.2267","0.2473","","","","","","1.063","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082047","9.89","0.002","15.632","0.003","14.782","0.003","90","","104.81","0.03","90","","2209.4","0.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Li2 N4 O6 -","- C40 H38 Li2 N4 O4 -","- C80 H76 Li4 N8 O8 -","2","0.5","","Gallegos, Carlos; Tabernero, Vanessa; Garc\?ía-Valle, Francisco M.; Mosquera, Marta E. G.; Cuenca, Tomás; Cano, Jesús","Synthesis and Structure of Homo- and Heterometallic Lithium‒Magnesium Complexes and Their Reactivity in the ROP ofrac-Lactide","Organometallics","2013","32","21","6624","","10.1021/om400940f","","","0.71073","MoKα","","0.0879","0.0646","","","0.1971","0.2208","","","","","","1.061","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082048","10.1711","0.0014","13.917","0.003","15.184","0.002","90","","103.192","0.011","90","","2092.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Mg N4 O6 -","- C48 H54 Mg N4 O6 -","- C96 H108 Mg2 N8 O12 -","2","0.5","","Gallegos, Carlos; Tabernero, Vanessa; Garc\?ía-Valle, Francisco M.; Mosquera, Marta E. G.; Cuenca, Tomás; Cano, Jesús","Synthesis and Structure of Homo- and Heterometallic Lithium‒Magnesium Complexes and Their Reactivity in the ROP ofrac-Lactide","Organometallics","2013","32","21","6624","","10.1021/om400940f","","","0.71073","MoKα","","0.1213","0.0759","","","0.1989","0.2398","","","","","","1.035","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082049","12.532","0.0008","14.1422","0.0008","15.7838","0.001","115.283","0.004","91.199","0.007","111.28","0.005","2305","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H84 Li2 Mg2 N12 O6 -","- C114 H84 Li2 Mg2 N12 O6 -","- C114 H84 Li2 Mg2 N12 O6 -","1","0.5","","Gallegos, Carlos; Tabernero, Vanessa; Garc\?ía-Valle, Francisco M.; Mosquera, Marta E. G.; Cuenca, Tomás; Cano, Jesús","Synthesis and Structure of Homo- and Heterometallic Lithium‒Magnesium Complexes and Their Reactivity in the ROP ofrac-Lactide","Organometallics","2013","32","21","6624","","10.1021/om400940f","","","0.71073","MoKα","","0.1528","0.0699","","","0.1801","0.2548","","","","","","1.07","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082050","16.6444","0.0003","9.93793","0.00018","21.1486","0.0004","90","","93.1009","0.0017","90","","3493.09","0.11","200","0.1","200","0.1","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C30 H44 Cl2 N4 O10 -","- C30 H32 Cl2 N4 O10 -","- C120 H128 Cl8 N16 O40 -","4","0.5","","Ruiz-Botella, Sheila; Guisado-Barrios, Gregorio; Mata, José A.; Peris, Eduardo","Coordination Singularities of a Bis(p-xylyl)bis(benzimidazolylidene) Ligand and the Bis-iridium and -rhodium-Related Complexes","Organometallics","2013","32","21","6613","","10.1021/om400950d","","","1.5418","CuKα","","0.0603","0.0543","","","0.1731","0.1868","","","","","","1.054","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082051","21.3681","0.0004","14.0701","0.0003","18.2729","0.0004","90","","90.9727","0.0019","90","","5493","0.2","200.05","0.1","200.05","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Cl6 Ir2 N4 O -","- C52 H60 Cl6 Ir2 N4 O2 -","- C208 H240 Cl24 Ir8 N16 O8 -","4","1","","Ruiz-Botella, Sheila; Guisado-Barrios, Gregorio; Mata, José A.; Peris, Eduardo","Coordination Singularities of a Bis(p-xylyl)bis(benzimidazolylidene) Ligand and the Bis-iridium and -rhodium-Related Complexes","Organometallics","2013","32","21","6613","","10.1021/om400950d","","","0.7107","MoKα","","0.0589","0.0467","","","0.1313","0.1412","","","","","","1.077","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082052","20.9457","0.0003","19.1797","0.0004","23.0383","0.0005","90","","90","","90","","9255.2","0.3","200.1","0.3","200.1","0.3","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H58 Cl2 N4 O Rh2 -","- C50 H58 Cl2 N4 O Rh2 -","- C400 H464 Cl16 N32 O8 Rh16 -","8","1","","Ruiz-Botella, Sheila; Guisado-Barrios, Gregorio; Mata, José A.; Peris, Eduardo","Coordination Singularities of a Bis(p-xylyl)bis(benzimidazolylidene) Ligand and the Bis-iridium and -rhodium-Related Complexes","Organometallics","2013","32","21","6613","","10.1021/om400950d","","","1.5418","CuKα","","0.0749","0.0592","","","0.1862","0.2151","","","","","","1.224","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082053","9.3896","0.0002","9.56605","0.00018","19.5108","0.0003","87.0246","0.0014","89.5385","0.0016","61.383","0.002","1536.05","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 Cl3 N4 O3 Rh2 -","- C33 H27 Cl3 N4 O3 Rh2 -","- C66 H54 Cl6 N8 O6 Rh4 -","2","1","","Ruiz-Botella, Sheila; Guisado-Barrios, Gregorio; Mata, José A.; Peris, Eduardo","Coordination Singularities of a Bis(p-xylyl)bis(benzimidazolylidene) Ligand and the Bis-iridium and -rhodium-Related Complexes","Organometallics","2013","32","21","6613","","10.1021/om400950d","","","0.71073","MoKα","","0.0467","0.0353","","","0.0783","0.0842","","","","","","1.161","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082054","16.313","0.005","11.584","0.005","36.423","0.005","90","","90","","90","","6883","4","123","0.1","123","0.1","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C33 H51 B Mo2 O2 P2 -","- C33 H51 B Mo2 O2 P2 -","- C264 H408 B8 Mo16 O16 P16 -","8","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Novel Dimerization of Maleic Anhydride at a Mo2 Complex: Phase-Driven Keto/Enol Tautomerism in a Phosphinidenium‒Ylide Complex","Organometallics","2013","32","21","6178","","10.1021/om4009586","","x-ray","1.5418","CuKα","","0.0456","0.0375","","","0.1031","0.1072","","","","","","1.101","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4082055","14.3294","0.0004","23.0287","0.0005","27.1137","0.0007","90","","90","","90","","8947.2","0.4","122.9","0.3","122.9","0.3","","","","","","","synthesis as described","6","P b n a","-P 2ac 2b","60","","","","- C42 H54 Cl2 Mo2 O8 P2 -","- C42 H54 Cl2 Mo2 O8 P2 -","- C336 H432 Cl16 Mo16 O64 P16 -","8","1","","Albuerne, Isabel G.; Alvarez, M. Angeles; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Novel Dimerization of Maleic Anhydride at a Mo2 Complex: Phase-Driven Keto/Enol Tautomerism in a Phosphinidenium‒Ylide Complex","Organometallics","2013","32","21","6178","","10.1021/om4009586","","x-ray","1.54184","CuKα","","0.0821","0.074","","","0.1827","0.1882","","","","","","1.095","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082056","16.459","0.0005","14.0598","0.0004","19.597","0.0006","90","","90","","90","","4534.9","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H37 B11 Ir P -","- C15 H37 B11 Ir P -","- C120 H296 B88 Ir8 P8 -","8","1","","El-Hellani, Ahmad; Kefalidis, Christos E.; Tham, Fook S.; Maron, Laurent; Lavallo, Vincent","Structure and Bonding of a Zwitterionic Iridium Complex Supported by a Phosphine with the Parent Carba-closo-dodecaborate CB11H11‒Ligand Substituent","Organometallics","2013","32","23","6887","","10.1021/om401001p","","","0.71073","MoKα","","0.0269","0.0233","","","0.0694","0.0718","","","","","","1.086","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082057","9.0094","0.0003","14.3971","0.0004","21.0729","0.0006","90","","94.352","0.001","90","","2725.47","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 O4 P Ru -","- C29 H31 O4 P Ru -","- C116 H124 O16 P4 Ru4 -","4","1","","Drake, Jessica L.; Manna, Cesar M.; Byers, Jeffery A.","Enhanced Carbon Dioxide Hydrogenation Facilitated by Catalytic Quantities of Bicarbonate and Other Inorganic Salts","Organometallics","2013","32","23","6891","","10.1021/om401057p","","","1.54178","CuKα","","0.0238","0.0236","","","0.0539","0.054","","","","","","1.14","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082058","7.6417","0.0005","15.5087","0.001","13.6509","0.0007","90","","118.792","0.003","90","","1417.8","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 O3 P S -","- C13 H21 O3 P S -","- C52 H84 O12 P4 S4 -","4","1","","Lau, Ka-Cheong; Petro, Benjamin J.; Bontemps, Sébastien; Jordan, Richard F.","Comparative Reactivity of Zr‒ and Pd‒Alkyl Complexes with Carbon Dioxide","Organometallics","2013","32","23","6895","","10.1021/om401082k","","","0.71073","MoKα","","0.0341","0.0324","","","0.0869","0.0882","","","","","","1.028","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082059","29.166","0.008","9.204","0.002","15.971","0.004","90","","102.135","0.004","90","","4191.5","1.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 N O3 P Pd S -","- C19 H28 N O3 P Pd S -","- C152 H224 N8 O24 P8 Pd8 S8 -","8","1","","Lau, Ka-Cheong; Petro, Benjamin J.; Bontemps, Sébastien; Jordan, Richard F.","Comparative Reactivity of Zr‒ and Pd‒Alkyl Complexes with Carbon Dioxide","Organometallics","2013","32","23","6895","","10.1021/om401082k","","","0.71073","MoKα","","0.0475","0.0352","","","0.0731","0.0759","","","","","","0.953","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082060","11.064","0.005","17.858","0.008","14.97","0.005","90","","117.41","0.02","90","","2625.7","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H84 Li2 O10 P2 Pd2 S2 -","- C46 H84 Li2 O10 P2 Pd2 S2 -","- C92 H168 Li4 O20 P4 Pd4 S4 -","2","0.5","","Lau, Ka-Cheong; Petro, Benjamin J.; Bontemps, Sébastien; Jordan, Richard F.","Comparative Reactivity of Zr‒ and Pd‒Alkyl Complexes with Carbon Dioxide","Organometallics","2013","32","23","6895","","10.1021/om401082k","","","0.71073","MoKα","","0.1154","0.0546","","","0.0861","0.097","","","","","","0.715","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082061","11.564","0.011","11.102","0.01","16.492","0.011","90","","122.57","0.05","90","","1784","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 Cl4 O6 P2 Pd S2 -","- C28 H44 Cl4 O6 P2 Pd S2 -","- C56 H88 Cl8 O12 P4 Pd2 S4 -","2","0.5","","Lau, Ka-Cheong; Petro, Benjamin J.; Bontemps, Sébastien; Jordan, Richard F.","Comparative Reactivity of Zr‒ and Pd‒Alkyl Complexes with Carbon Dioxide","Organometallics","2013","32","23","6895","","10.1021/om401082k","","","0.71073","MoKα","","0.0855","0.0601","","","0.1267","0.1414","","","","","","0.984","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082062","13.976","0.003","21.636","0.004","26.011","0.005","90","","90","","90","","7865","3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H80 Li2 O12 P2 Pd2 S2 -","- C66 H80 Li2 O12 P2 Pd2 S2 -","- C264 H320 Li8 O48 P8 Pd8 S8 -","4","1","","Lau, Ka-Cheong; Petro, Benjamin J.; Bontemps, Sébastien; Jordan, Richard F.","Comparative Reactivity of Zr‒ and Pd‒Alkyl Complexes with Carbon Dioxide","Organometallics","2013","32","23","6895","","10.1021/om401082k","","","0.71073","MoKα","","0.0994","0.0548","","","0.0924","0.1015","","","","","","0.781","","","","has coordinates","204123","2020-10-21","18:00:00",""
"4082063","12.622","0.0004","18.3101","0.0007","13.1507","0.0005","90","","108.341","0.002","90","","2884.87","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H41 N O2 Ti -","- C34 H41 N O2 Ti -","- C136 H164 N4 O8 Ti4 -","4","1","","Sattler, Aaron; Labinger, Jay A.; Bercaw, John E.","Highly Selective Olefin Trimerization Catalysis by a Borane-Activated Titanium Trimethyl Complex","Organometallics","2013","32","23","6899","","10.1021/om401098m","","","0.71073","MoKα","","0.0803","0.0489","","","0.1178","0.1351","","","","","","1.037","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082064","18.2734","0.0009","15.5301","0.0008","20.3199","0.0011","90","","92.139","0.003","90","","5762.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H74 Mg N2 O5 -","- C62 H64 Mg N2 O4 -","- C248 H256 Mg4 N8 O16 -","4","1","","Sattler, Aaron; Labinger, Jay A.; Bercaw, John E.","Highly Selective Olefin Trimerization Catalysis by a Borane-Activated Titanium Trimethyl Complex","Organometallics","2013","32","23","6899","","10.1021/om401098m","","","0.71073","MoKα","","0.0614","0.0479","","","0.1313","0.1383","","","","","","1.074","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082065","10.9596","0.0004","12.579","0.0005","12.9434","0.0005","74.929","0.002","65.828","0.002","82.745","0.002","1571.54","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H76 Br2 Mg2 N2 O4 -","- C74 H76 Br2 Mg2 N2 O4 -","- C74 H76 Br2 Mg2 N2 O4 -","1","0.5","","Sattler, Aaron; Labinger, Jay A.; Bercaw, John E.","Highly Selective Olefin Trimerization Catalysis by a Borane-Activated Titanium Trimethyl Complex","Organometallics","2013","32","23","6899","","10.1021/om401098m","","","0.71073","MoKα","","0.0616","0.042","","","0.1076","0.1154","","","","","","1.063","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082066","8.8006","0.0005","11.9636","0.0006","20.9629","0.0011","90","","98.752","0.005","90","","2181.4","0.2","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Cl N O5 Se -","- C23 H22 Cl N O5 Se -","- C92 H88 Cl4 N4 O20 Se4 -","4","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of Selenenium Ions: Isolation of Highly Conjugated, pH-Sensitive 4,4′-Bis(methylimino)-1,1′-binaphthylene-5-diselenenium(II) Triflate","Organometallics","2013","32","24","7275","","10.1021/om400460z","","","0.71073","MoKα","","0.1131","0.0356","","","0.0594","0.0655","","","","","","0.746","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082067","7.21921","0.00017","11.7082","0.0003","29.1083","0.0007","90","","90","","90","","2460.35","0.1","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 Br N Se -","- C12 H12 Br N Se -","- C96 H96 Br8 N8 Se8 -","8","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of Selenenium Ions: Isolation of Highly Conjugated, pH-Sensitive 4,4′-Bis(methylimino)-1,1′-binaphthylene-5-diselenenium(II) Triflate","Organometallics","2013","32","24","7275","","10.1021/om400460z","","","1.54184","CuKα","","0.0485","0.0378","","","0.1056","0.1108","","","","","","1.051","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082068","21.6378","0.0019","15.2112","0.0008","7.9432","0.0005","90","","90","","90","","2614.4","0.3","123","2","123","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C24 H16 F6 N2 O6 S2 Se2 -","- C24 H16 F6 N2 O6 S2 Se2 -","- C96 H64 F24 N8 O24 S8 Se8 -","4","0.5","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of Selenenium Ions: Isolation of Highly Conjugated, pH-Sensitive 4,4′-Bis(methylimino)-1,1′-binaphthylene-5-diselenenium(II) Triflate","Organometallics","2013","32","24","7275","","10.1021/om400460z","","","0.71073","MoKα","","0.135","0.0849","","","0.1566","0.1778","","","","","","1.112","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082069","9.1305","0.0005","13.9195","0.0008","19.2955","0.0011","90","","90","","90","","2452.3","0.2","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 Se -","- C13 H12 N2 Se -","- C104 H96 N16 Se8 -","8","1","","Rakesh, Prakul; Singh, Harkesh B.; Butcher, Ray J.","Synthesis of Selenenium Ions: Isolation of Highly Conjugated, pH-Sensitive 4,4′-Bis(methylimino)-1,1′-binaphthylene-5-diselenenium(II) Triflate","Organometallics","2013","32","24","7275","","10.1021/om400460z","","","0.71073","MoKα","","0.1808","0.0301","","","0.046","0.0574","","","","","","0.663","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082070","10.9194","0.0003","18.5213","0.0005","11.7728","0.0003","90","","97.662","0.002","90","","2359.69","0.11","300","","300","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 Br2 O6 Ru2 S2 -","- C18 H10 Br2 O6 Ru2 S2 -","- C72 H40 Br8 O24 Ru8 S8 -","4","0.5","","Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Mahesh, K.; Mobin, Shaikh M.; Manimaran, Bala.","One-Pot Synthesis of Ruthenium Metallacycles via Oxidative Addition of Diaryldichalcogen and Halogen across a Ru‒Ru Bond","Organometallics","2013","32","24","7292","","10.1021/om400686q","","","0.7107","MoKα","","0.0401","0.0334","","","0.0756","0.0795","","","","","","1.081","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082071","16.3728","0.0019","18.367","0.003","9.326","0.011","90","","90","","90","","2805","3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H14 I2 O6 Ru2 S2 -","- C20 H14 I2 O6 Ru2 S2 -","- C80 H56 I8 O24 Ru8 S8 -","4","0.5","","Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Mahesh, K.; Mobin, Shaikh M.; Manimaran, Bala.","One-Pot Synthesis of Ruthenium Metallacycles via Oxidative Addition of Diaryldichalcogen and Halogen across a Ru‒Ru Bond","Organometallics","2013","32","24","7292","","10.1021/om400686q","","","0.71073","MoKα","","0.0599","0.0489","","","0.1334","0.1379","","","","","","1.102","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082072","8.8789","0.0008","11.2063","0.001","23.799","0.002","90","","99.764","0.01","90","","2333.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 Br2 O6 Ru2 Se2 -","- C18 H10 Br2 O6 Ru2 Se2 -","- C72 H40 Br8 O24 Ru8 Se8 -","4","1","","Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Mahesh, K.; Mobin, Shaikh M.; Manimaran, Bala.","One-Pot Synthesis of Ruthenium Metallacycles via Oxidative Addition of Diaryldichalcogen and Halogen across a Ru‒Ru Bond","Organometallics","2013","32","24","7292","","10.1021/om400686q","","","0.71073","MoKα","","0.0848","0.0572","","","0.1502","0.2204","","","","","","1.052","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082073","9.1369","0.0011","11.539","0.0013","23.111","0.002","90","","98.591","0.011","90","","2409.3","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 I2 O6 Ru2 Se2 -","- C18 H10 I2 O6 Ru2 Se2 -","- C72 H40 I8 O24 Ru8 Se8 -","4","1","","Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Mahesh, K.; Mobin, Shaikh M.; Manimaran, Bala.","One-Pot Synthesis of Ruthenium Metallacycles via Oxidative Addition of Diaryldichalcogen and Halogen across a Ru‒Ru Bond","Organometallics","2013","32","24","7292","","10.1021/om400686q","","","0.71073","MoKα","","0.0441","0.0293","","","0.0594","0.0612","","","","","","0.938","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082074","15.949","0.0004","18.4754","0.0006","8.9862","0.0002","90","","90","","90","","2647.91","0.12","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H14 Br2 O6 Ru2 Se2 -","- C20 H14 Br2 O6 Ru2 Se2 -","- C80 H56 Br8 O24 Ru8 Se8 -","4","0.5","","Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Mahesh, K.; Mobin, Shaikh M.; Manimaran, Bala.","One-Pot Synthesis of Ruthenium Metallacycles via Oxidative Addition of Diaryldichalcogen and Halogen across a Ru‒Ru Bond","Organometallics","2013","32","24","7292","","10.1021/om400686q","","","0.71073","MoKα","","0.0217","0.0165","","","0.038","0.0387","","","","","","0.998","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082075","9.1274","0.0005","10.0601","0.0004","14.4478","0.0006","92.445","0.004","96.145","0.004","112.01","0.004","1217.94","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 Br2 O6 Ru2 Te2 -","- C18 H10 Br2 O6 Ru2 Te2 -","- C36 H20 Br4 O12 Ru4 Te4 -","2","1","","Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Mahesh, K.; Mobin, Shaikh M.; Manimaran, Bala.","One-Pot Synthesis of Ruthenium Metallacycles via Oxidative Addition of Diaryldichalcogen and Halogen across a Ru‒Ru Bond","Organometallics","2013","32","24","7292","","10.1021/om400686q","","","0.71073","MoKα","","0.0272","0.0205","","","0.0444","0.0454","","","","","","0.962","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082076","9.3236","0.0003","10.0685","0.0003","14.4129","0.0005","91.151","0.002","95.976","0.003","111.78","0.003","1247.07","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 I2 O6 Ru2 Te2 -","- C18 H10 I2 O6 Ru2 Te2 -","- C36 H20 I4 O12 Ru4 Te4 -","2","1","","Nagarajaprakash, R.; Ramakrishna, Buthanapalli; Mahesh, K.; Mobin, Shaikh M.; Manimaran, Bala.","One-Pot Synthesis of Ruthenium Metallacycles via Oxidative Addition of Diaryldichalcogen and Halogen across a Ru‒Ru Bond","Organometallics","2013","32","24","7292","","10.1021/om400686q","","","0.71073","MoKα","","0.0263","0.0201","","","0.0426","0.0437","","","","","","0.986","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082077","17.776","0.002","17.235","0.002","21.196","0.003","90","","99.332","0.003","90","","6407.9","1.4","100","2","100","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","brad08","","- C73 H85 B Cl Fe N O2 P Rh S -","- C67 H71 B Cl Fe N O2 P Rh S -","- C268 H284 B4 Cl4 Fe4 N4 O8 P4 Rh4 S4 -","4","1","","Cowie, Bradley E.; Emslie, David J. H.","Bridging Rhodium‒Iron Borataaminocarbyne Complexes Formed by Intramolecular Isonitrile‒Borane Coordination","Organometallics","2013","32","24","7297","","10.1021/om4007483","","","0.71073","MoKα","","0.0668","0.0492","","","0.1309","0.1389","","","","","","1.075","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082078","11.5439","0.0013","14.7174","0.0016","23.728","0.003","92.065","0.002","98.126","0.002","104.399","0.002","3854.8","0.8","100","2","100","2","","","","","","","synthesis as described","9","P -1","-P 1","2","","brad19","","- C98 H102 B Fe N O2 P Rh S -","- C91 H94 B Fe N O2 P Rh S -","- C182 H188 B2 Fe2 N2 O4 P2 Rh2 S2 -","2","1","","Cowie, Bradley E.; Emslie, David J. H.","Bridging Rhodium‒Iron Borataaminocarbyne Complexes Formed by Intramolecular Isonitrile‒Borane Coordination","Organometallics","2013","32","24","7297","","10.1021/om4007483","","x-ray","0.71073","MoKα","","0.1231","0.0808","","","0.1778","0.194","","","","","","1.039","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082079","14.548","0.002","14.94","0.002","15.159","0.002","112.777","0.005","103.455","0.005","118.734","0.004","2278.5","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","brad22","","- C47 H52 Cl4 Fe O3 P Rh S -","- C47 H52 Cl4 Fe O3 P Rh S -","- C94 H104 Cl8 Fe2 O6 P2 Rh2 S2 -","2","1","","Cowie, Bradley E.; Emslie, David J. H.","Bridging Rhodium‒Iron Borataaminocarbyne Complexes Formed by Intramolecular Isonitrile‒Borane Coordination","Organometallics","2013","32","24","7297","","10.1021/om4007483","","","0.71073","MoKα","","0.1295","0.0637","","","0.1232","0.1582","","","","","","0.974","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082080","12.5134","0.0018","13.682","0.0019","15.469","0.002","92.902","0.002","92.532","0.003","96.036","0.003","2627.1","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","brad23","","- C57 H54 Cl4 Fe N2 O2 P Rh S -","- C57 H54 Cl4 Fe N2 O2 P Rh S -","- C114 H108 Cl8 Fe2 N4 O4 P2 Rh2 S2 -","2","1","","Cowie, Bradley E.; Emslie, David J. H.","Bridging Rhodium‒Iron Borataaminocarbyne Complexes Formed by Intramolecular Isonitrile‒Borane Coordination","Organometallics","2013","32","24","7297","","10.1021/om4007483","","","0.71073","MoKα","","0.0921","0.0507","","","0.1045","0.1299","","","","","","1.02","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082081","27.207","0.007","22.061","0.005","20.075","0.005","90","","98.15","0.005","90","","11928","5","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C71 H90 B Fe N O2 P Rh S -","- C59 H62 B Fe N O2 P Rh S -","- C472 H496 B8 Fe8 N8 O16 P8 Rh8 S8 -","8","1","","Cowie, Bradley E.; Emslie, David J. H.","Bridging Rhodium‒Iron Borataaminocarbyne Complexes Formed by Intramolecular Isonitrile‒Borane Coordination","Organometallics","2013","32","24","7297","","10.1021/om4007483","","","0.71073","MoKα","","0.0983","0.0709","","","0.1781","0.1934","","","","","","1.028","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082082","9.4043","0.0002","12.2617","0.0002","21.7472","0.0005","97.484","0.001","100.833","0.001","106.317","0.002","2318.83","0.09","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H22 B Cl F15 P Zr -","- C41 H22 B Cl F15 P Zr -","- C82 H44 B2 Cl2 F30 P2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of (Diphenylphosphinomethyl)zirconocene Chloride with B(C6F5)3: Competition between P/B and P/Zr+Frustrated Lewis Pair Reactions","Organometallics","2013","32","24","7306","","10.1021/om400769y","","","0.71073","MoKα","","0.0613","0.0536","","","0.1392","0.1453","","","","","","1.074","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082083","11.928","0.0002","12.0262","0.0002","12.4657","0.0003","96.216","0.001","107.999","0.001","114.804","0.001","1484.01","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H14 B Cl F15 P -","- C32 H14 B Cl F15 P -","- C64 H28 B2 Cl2 F30 P2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of (Diphenylphosphinomethyl)zirconocene Chloride with B(C6F5)3: Competition between P/B and P/Zr+Frustrated Lewis Pair Reactions","Organometallics","2013","32","24","7306","","10.1021/om400769y","","","0.71073","MoKα","","0.0697","0.0595","","","0.1225","0.1298","","","","","","1.1","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082084","12.8629","0.0002","12.9604","0.0003","14.1655","0.0003","85.885","0.001","83.148","0.001","86.222","0.001","2334.67","0.08","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C49 H29 B Cl3 F15 N O P Zr -","- C49 H29 B Cl3 F15 N O P Zr -","- C98 H58 B2 Cl6 F30 N2 O2 P2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of (Diphenylphosphinomethyl)zirconocene Chloride with B(C6F5)3: Competition between P/B and P/Zr+Frustrated Lewis Pair Reactions","Organometallics","2013","32","24","7306","","10.1021/om400769y","","","0.71073","MoKα","","0.075","0.0665","","","0.1723","0.1815","","","","","","1.111","","","","has coordinates,has disorder","178709","2020-10-21","18:00:00",""
"4082085","12.9507","0.0001","20.2862","0.0003","18.9185","0.0002","90","","97.79","0.001","90","","4924.41","0.1","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 B Cl F15 O P Zr -","- C48 H28 B Cl F15 O P Zr -","- C192 H112 B4 Cl4 F60 O4 P4 Zr4 -","4","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of (Diphenylphosphinomethyl)zirconocene Chloride with B(C6F5)3: Competition between P/B and P/Zr+Frustrated Lewis Pair Reactions","Organometallics","2013","32","24","7306","","10.1021/om400769y","","","0.71073","MoKα","","0.0591","0.0488","","","0.1365","0.145","","","","","","1.031","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082086","8.8309","0.0002","10.6543","0.0002","19.811","0.0005","74.634","0.001","80.839","0.001","88.028","0.002","1774.34","0.07","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H25 B Cl3 F10 P Zr -","- C36 H25 B Cl3 F10 P Zr -","- C72 H50 B2 Cl6 F20 P2 Zr2 -","2","1","","Xu, Xin; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of (Diphenylphosphinomethyl)zirconocene Chloride with B(C6F5)3: Competition between P/B and P/Zr+Frustrated Lewis Pair Reactions","Organometallics","2013","32","24","7306","","10.1021/om400769y","","","0.71073","MoKα","","0.0644","0.0524","","","0.103","0.1109","","","","","","1.074","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082087","17.701","0.009","13.379","0.007","15.409","0.008","90","","103.322","0.008","90","","3551","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H49 Li N2 O2 -","- C35 H49 Li N2 O2 -","- C140 H196 Li4 N8 O8 -","4","0.5","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.1855","0.0817","","","0.1866","0.2407","","","","","","1.03","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082088","12.594","0.005","18.648","0.007","16.29","0.006","90","","98.639","0.006","90","","3782","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H57 Li N2 O3 -","- C39 H57 Li N2 O3 -","- C156 H228 Li4 N8 O12 -","4","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.1339","0.0622","","","0.1365","0.1587","","","","","","0.996","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082089","13.507","0.005","22.736","0.009","21.868","0.008","90","","103.597","0.006","90","","6527","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H86 Li2 N4 O -","- C66 H86 Li2 N4 O -","- C264 H344 Li8 N16 O4 -","4","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.1703","0.0649","","","0.1121","0.127","","","","","","1.005","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082090","10.616","0.006","17.064","0.01","22.178","0.013","90","","90","","90","","4018","4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H55 Cl2 N2 O2 Sc -","- C39 H55 Cl2 N2 O2 Sc -","- C156 H220 Cl8 N8 O8 Sc4 -","4","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.1074","0.0496","","","0.0739","0.0816","","","","","","1.071","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082091","16.335","0.003","17.757","0.003","14.878","0.003","90","","90","","90","","4315.5","1.4","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C43 H63 Cl2 Lu N2 O3 -","- C43 H63 Cl2 Lu N2 O3 -","- C172 H252 Cl8 Lu4 N8 O12 -","4","0.5","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.0506","0.0283","","","0.0639","0.076","","","","","","1.087","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082092","16.431","0.005","17.865","0.006","14.908","0.005","90","","90","","90","","4376","2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C43 H63 Cl2 N2 O3 Y -","- C43 H63 Cl2 N2 O3 Y -","- C172 H252 Cl8 N8 O12 Y4 -","4","0.5","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.1162","0.0469","","","0.0779","0.0892","","","","","","1.002","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082093","10.582","0.004","23.697","0.009","19.744","0.008","90","","105.219","0.005","90","","4777","3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H63 N4 Sc -","- C49 H63 N4 Sc -","- C196 H252 N16 Sc4 -","4","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.1159","0.0566","","","0.1301","0.148","","","","","","0.993","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082094","10.996","0.004","11.387","0.004","19.044","0.007","91.543","0.004","91.419","0.005","111.867","0.004","2210.6","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H63 Lu N4 -","- C49 H63 Lu N4 -","- C98 H126 Lu2 N8 -","2","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.0594","0.0414","","","0.0945","0.1102","","","","","","1","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082095","20.649","0.006","13.028","0.004","19.168","0.006","90","","113.175","0.004","90","","4740","2","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C52 H70 N5 Sc -","- C52 H70 N5 Sc -","- C208 H280 N20 Sc4 -","4","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.1075","0.062","","","0.123","0.1416","","","","","","1.003","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082096","21.0802","0.0016","13.0856","0.001","19.098","0.002","90","","113.543","0.001","90","","4829.6","0.7","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C52 H70 Lu N5 -","- C52 H70 Lu N5 -","- C208 H280 Lu4 N20 -","4","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.0391","0.03","","","0.0566","0.0598","","","","","","0.916","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082097","12.928","0.005","17.463","0.006","24.005","0.009","90","","93.523","0.005","90","","5409","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H126 Lu2 N8 O8 -","- C102 H126 Lu2 N8 O8 -","- C204 H252 Lu4 N16 O16 -","2","0.5","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.0759","0.0433","","","0.0699","0.073","","","","","","1","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082098","15.809","0.006","18.126","0.007","21.266","0.008","90","","94.674","0.005","90","","6074","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H81 N6 O3 Y -","- C67 H81 N6 O3 Y -","- C268 H324 N24 O12 Y4 -","4","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.0929","0.0402","","","0.0716","0.0799","","","","","","1.002","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082099","13.493","0.005","14.653","0.005","20.461","0.007","69.476","0.005","79.839","0.005","75.46","0.005","3650","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C67 H81 Lu N6 O3 -","- C67 H81 Lu N6 O3 -","- C134 H162 Lu2 N12 O6 -","2","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.0896","0.0541","","","0.1093","0.1153","","","","","","0.992","","","","has coordinates","178709","2020-10-21","18:00:00",""
"4082100","12.511","0.005","16.499","0.006","16.071","0.006","90","","104.716","0.004","90","","3209","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H88 Lu N7 O3 -","- C70 H88 Lu N7 O3 -","- C140 H176 Lu2 N14 O6 -","2","1","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.0674","0.0611","","","0.1523","0.1639","","","","","","1.005","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082101","22.089","0.006","16.865","0.005","24.065","0.007","90","","112.439","0.004","90","","8286","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C93 H120 N6 Sc2 -","- C93 H120 N6 Sc2 -","- C372 H480 N24 Sc8 -","4","0.5","","Hong, Jianquan; Zhang, Lixin; Wang, Kai; Chen, Zhenxia; Wu, Limin; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Mono(amidinate) Rare-Earth-Metal Bis(aminobenzyl) Complexes","Organometallics","2013","32","24","7312","","10.1021/om400787j","","","0.71073","MoKα","","0.1267","0.055","","","0.0945","0.1053","","","","","","1.002","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082102","9.2851","0.0003","9.5028","0.0003","19.0924","0.0006","93.509","0.002","96.671","0.002","104.723","0.002","1611.03","0.09","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 N4 -","- C19 H16 N4 -","- C76 H64 N16 -","4","2","","Trofymchuk, Oleksandra S.; Gutsulyak, Dmitry V.; Quintero, Celso; Parvez, Masood; Daniliuc, Constantin G.; Piers, Warren E.; Rojas, Rene S.","N-Arylcyano-β-diketiminate Methallyl Nickel Complexes: Synthesis, Adduct Formation, and Reactivity toward Ethylene","Organometallics","2013","32","24","7323","","10.1021/om400847b","","","0.71073","MoKα","","0.1036","0.0758","","","0.1512","0.1726","","","","","","1.111","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082103","7.9266","0.0003","8.7","0.0005","12.0195","0.001","101.781","0.004","92.922","0.005","96.554","0.004","803.76","0.09","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 N4 -","- C19 H16 N4 -","- C38 H32 N8 -","2","1","","Trofymchuk, Oleksandra S.; Gutsulyak, Dmitry V.; Quintero, Celso; Parvez, Masood; Daniliuc, Constantin G.; Piers, Warren E.; Rojas, Rene S.","N-Arylcyano-β-diketiminate Methallyl Nickel Complexes: Synthesis, Adduct Formation, and Reactivity toward Ethylene","Organometallics","2013","32","24","7323","","10.1021/om400847b","","","1.54178","CuKα","","0.0468","0.0422","","","0.1057","0.1102","","","","","","1.038","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082104","9.9681","0.0004","10.3433","0.001","11.467","0.0009","92.182","0.007","100.534","0.006","108.387","0.003","1097.19","0.15","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H29 N3 -","- C24 H29 N3 -","- C48 H58 N6 -","2","1","","Trofymchuk, Oleksandra S.; Gutsulyak, Dmitry V.; Quintero, Celso; Parvez, Masood; Daniliuc, Constantin G.; Piers, Warren E.; Rojas, Rene S.","N-Arylcyano-β-diketiminate Methallyl Nickel Complexes: Synthesis, Adduct Formation, and Reactivity toward Ethylene","Organometallics","2013","32","24","7323","","10.1021/om400847b","","","1.54178","CuKα","","0.061","0.0503","","","0.124","0.1332","","","","","","1.03","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082105","8.3248","0.0007","10.7512","0.001","13.0578","0.0006","70.948","0.006","83.238","0.004","80.855","0.005","1087.91","0.15","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H29 N3 -","- C24 H29 N3 -","- C48 H58 N6 -","2","1","","Trofymchuk, Oleksandra S.; Gutsulyak, Dmitry V.; Quintero, Celso; Parvez, Masood; Daniliuc, Constantin G.; Piers, Warren E.; Rojas, Rene S.","N-Arylcyano-β-diketiminate Methallyl Nickel Complexes: Synthesis, Adduct Formation, and Reactivity toward Ethylene","Organometallics","2013","32","24","7323","","10.1021/om400847b","","","1.54178","CuKα","","0.0613","0.0513","","","0.129","0.1385","","","","","","1.04","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082106","7.9575","0.0001","17.5173","0.0003","15.3892","0.0003","90","","103.761","0.001","90","","2083.59","0.06","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N4 Ni -","- C23 H22 N4 Ni -","- C92 H88 N16 Ni4 -","4","1","","Trofymchuk, Oleksandra S.; Gutsulyak, Dmitry V.; Quintero, Celso; Parvez, Masood; Daniliuc, Constantin G.; Piers, Warren E.; Rojas, Rene S.","N-Arylcyano-β-diketiminate Methallyl Nickel Complexes: Synthesis, Adduct Formation, and Reactivity toward Ethylene","Organometallics","2013","32","24","7323","","10.1021/om400847b","","","0.71073","MoKα","","0.0536","0.043","","","0.0924","0.0999","","","","","","1.062","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082107","11.6039","0.0002","17.4036","0.0003","12.8157","0.0003","90","","102.757","0.001","90","","2524.24","0.09","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H35 N3 Ni -","- C28 H35 N3 Ni -","- C112 H140 N12 Ni4 -","4","1","","Trofymchuk, Oleksandra S.; Gutsulyak, Dmitry V.; Quintero, Celso; Parvez, Masood; Daniliuc, Constantin G.; Piers, Warren E.; Rojas, Rene S.","N-Arylcyano-β-diketiminate Methallyl Nickel Complexes: Synthesis, Adduct Formation, and Reactivity toward Ethylene","Organometallics","2013","32","24","7323","","10.1021/om400847b","","","0.71073","MoKα","","0.0566","0.0477","","","0.1059","0.1134","","","","","","1.043","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082108","19.8752","0.001","12.7202","0.0006","27.3802","0.0014","90","","109.885","0.003","90","","6509.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H29.5 B2 F30 N4 Ni -","- C64 H29.5 B2 F30 N4 Ni -","- C256 H118 B8 F120 N16 Ni4 -","4","1","","Trofymchuk, Oleksandra S.; Gutsulyak, Dmitry V.; Quintero, Celso; Parvez, Masood; Daniliuc, Constantin G.; Piers, Warren E.; Rojas, Rene S.","N-Arylcyano-β-diketiminate Methallyl Nickel Complexes: Synthesis, Adduct Formation, and Reactivity toward Ethylene","Organometallics","2013","32","24","7323","","10.1021/om400847b","","","1.54178","CuKα","","0.0692","0.0626","","","0.1929","0.2011","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082109","11.9096","0.0003","20.1587","0.0005","24.8459","0.0007","90","","100.218","0.0011","90","","5870.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H29 B2 F30 N4 Ni -","- C62 H29 B2 F30 N4 Ni -","- C248 H116 B8 F120 N16 Ni4 -","4","1","","Trofymchuk, Oleksandra S.; Gutsulyak, Dmitry V.; Quintero, Celso; Parvez, Masood; Daniliuc, Constantin G.; Piers, Warren E.; Rojas, Rene S.","N-Arylcyano-β-diketiminate Methallyl Nickel Complexes: Synthesis, Adduct Formation, and Reactivity toward Ethylene","Organometallics","2013","32","24","7323","","10.1021/om400847b","","","0.71073","MoKα","","0.1185","0.082","","","0.1513","0.1676","","","","","","1.127","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082110","11.8729","0.0004","12.4776","0.0003","15.6858","0.0005","96.5367","0.0017","106.143","0.0013","101.855","0.0017","2148.11","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H35 B F15 N3 Ni -","- C46 H35 B F15 N3 Ni -","- C92 H70 B2 F30 N6 Ni2 -","2","1","","Trofymchuk, Oleksandra S.; Gutsulyak, Dmitry V.; Quintero, Celso; Parvez, Masood; Daniliuc, Constantin G.; Piers, Warren E.; Rojas, Rene S.","N-Arylcyano-β-diketiminate Methallyl Nickel Complexes: Synthesis, Adduct Formation, and Reactivity toward Ethylene","Organometallics","2013","32","24","7323","","10.1021/om400847b","","","0.71073","MoKα","","0.0788","0.0566","","","0.1095","0.1219","","","","","","1.114","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082111","13.5025","0.0011","14.386","0.0008","15.5029","0.0014","91.764","0.005","99.925","0.008","115.313","0.006","2663","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H127 Cl13 N8 Os4 -","- C111 H127 Cl13 N8 Os4 -","- C111 H127 Cl13 N8 Os4 -","1","0.5","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Müller-Bunz, Helge; Scopelliti, Rosario; Dyson, Paul J.; Phillips, Andrew D.","Synthesis, Characterization, and Reactivity of the First Osmium β-Diketiminato Complexes and Application in Catalysis","Organometallics","2013","32","24","7345","","10.1021/om400875r","","","0.71073","MoKα","","0.0485","0.0303","","","0.046","0.0508","","","","","","1.135","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082112","11.6662","0.0011","12.3634","0.0016","12.766","0.0011","111.661","0.008","96.007","0.007","105.374","0.009","1607.3","0.3","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H32 Cl3 F3 N2 O3 Os S -","- C29 H32 Cl3 F3 N2 O3 Os S -","- C58 H64 Cl6 F6 N4 O6 Os2 S2 -","2","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Müller-Bunz, Helge; Scopelliti, Rosario; Dyson, Paul J.; Phillips, Andrew D.","Synthesis, Characterization, and Reactivity of the First Osmium β-Diketiminato Complexes and Application in Catalysis","Organometallics","2013","32","24","7345","","10.1021/om400875r","","","0.71073","MoKα","","0.0667","0.0542","","","0.1246","0.1328","","","","","","1.168","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082113","11.846","0.0002","12.2624","0.0002","21.2055","0.0003","90","","98.681","0.001","90","","3045.03","0.08","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28.615 H33.23 Cl2.23 F3 N2 O3 Os S -","- C28.616 H33.232 Cl2.23 F3 N2 O3 Os S -","- C114.464 H132.928 Cl8.92 F12 N8 O12 Os4 S4 -","4","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Müller-Bunz, Helge; Scopelliti, Rosario; Dyson, Paul J.; Phillips, Andrew D.","Synthesis, Characterization, and Reactivity of the First Osmium β-Diketiminato Complexes and Application in Catalysis","Organometallics","2013","32","24","7345","","10.1021/om400875r","","","0.71073","MoKα","","0.0378","0.0313","","","0.0769","0.0789","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082114","11.9956","0.0001","11.8815","0.0001","21.8518","0.0002","90","","94.022","0.001","90","","3106.77","0.05","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 F3 N2 O4 Os S -","- C32 H41 F3 N2 O4 Os S -","- C128 H164 F12 N8 O16 Os4 S4 -","4","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Müller-Bunz, Helge; Scopelliti, Rosario; Dyson, Paul J.; Phillips, Andrew D.","Synthesis, Characterization, and Reactivity of the First Osmium β-Diketiminato Complexes and Application in Catalysis","Organometallics","2013","32","24","7345","","10.1021/om400875r","","","0.71073","MoKα","","0.0326","0.0233","","","0.0535","0.0543","","","","","","0.957","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082115","12.2652","0.0003","11.857","0.0002","21.7502","0.0004","90","","94.327","0.002","90","","3154.08","0.11","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 Cl2 F3 N2 O3 Os S -","- C31 H37 Cl2 F3 N2 O3 Os S -","- C124 H148 Cl8 F12 N8 O12 Os4 S4 -","4","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Müller-Bunz, Helge; Scopelliti, Rosario; Dyson, Paul J.; Phillips, Andrew D.","Synthesis, Characterization, and Reactivity of the First Osmium β-Diketiminato Complexes and Application in Catalysis","Organometallics","2013","32","24","7345","","10.1021/om400875r","","","0.71073","MoKα","","0.0214","0.0188","","","0.0462","0.0469","","","","","","1.042","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082116","10.9959","0.0006","12.4489","0.0007","13.082","0.0008","84.903","0.005","88.577","0.005","68.497","0.005","1659.47","0.18","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H40 F3 N3 O3 Os S -","- C37 H40 F3 N3 O3 Os S -","- C74 H80 F6 N6 O6 Os2 S2 -","2","1","","Schreiber, Dominique F.; O’Connor, Crystal; Grave, Christian; Müller-Bunz, Helge; Scopelliti, Rosario; Dyson, Paul J.; Phillips, Andrew D.","Synthesis, Characterization, and Reactivity of the First Osmium β-Diketiminato Complexes and Application in Catalysis","Organometallics","2013","32","24","7345","","10.1021/om400875r","","","0.71073","MoKα","","0.031","0.0268","","","0.0684","0.0699","","","","","","1.051","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082117","14.7468","0.0003","13.1741","0.0003","19.0329","0.0004","90","","107.073","0.001","90","","3534.68","0.13","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C43 H42 Hf N P -","- C43 H42 Hf N P -","- C172 H168 Hf4 N4 P4 -","4","1","","Jun, Sung Hae; Park, Ji Hae; Lee, Chun Sun; Park, Seong Yeon; Go, Min Jeong; Lee, Junseong; Lee, Bun Yeoul","Preparation of Phosphine-Amido Hafnium and Zirconium Complexes for Olefin Polymerization","Organometallics","2013","32","24","7357","","10.1021/om400899g","","","0.71073","MoKα","","0.0257","0.0231","","","0.0472","0.048","","","","","","0.997","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082118","15.0515","0.0004","13.2544","0.0004","19.1998","0.0005","90","","107.255","0.002","90","","3657.95","0.18","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C43 H42 N P Zr -","- C43 H42 N P Zr -","- C172 H168 N4 P4 Zr4 -","4","1","","Jun, Sung Hae; Park, Ji Hae; Lee, Chun Sun; Park, Seong Yeon; Go, Min Jeong; Lee, Junseong; Lee, Bun Yeoul","Preparation of Phosphine-Amido Hafnium and Zirconium Complexes for Olefin Polymerization","Organometallics","2013","32","24","7357","","10.1021/om400899g","","","0.71073","MoKα","","0.0481","0.0341","","","0.0743","0.0852","","","","","","1.063","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082119","9.6432","0.0003","9.7798","0.0003","19.0879","0.0005","98.389","0.001","103.184","0.001","95.382","0.001","1718.8","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H43 Hf N P -","- C42 H43 Hf N P -","- C84 H86 Hf2 N2 P2 -","2","1","","Jun, Sung Hae; Park, Ji Hae; Lee, Chun Sun; Park, Seong Yeon; Go, Min Jeong; Lee, Junseong; Lee, Bun Yeoul","Preparation of Phosphine-Amido Hafnium and Zirconium Complexes for Olefin Polymerization","Organometallics","2013","32","24","7357","","10.1021/om400899g","","","0.71073","MoKα","","0.0156","0.0146","","","0.0357","0.0362","","","","","","1.08","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082120","20.7909","0.0007","16.4425","0.0006","19.2378","0.0006","90","","99.69","0.002","90","","6482.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N P Zr -","- C40 H38 N P Zr -","- C320 H304 N8 P8 Zr8 -","8","2","","Jun, Sung Hae; Park, Ji Hae; Lee, Chun Sun; Park, Seong Yeon; Go, Min Jeong; Lee, Junseong; Lee, Bun Yeoul","Preparation of Phosphine-Amido Hafnium and Zirconium Complexes for Olefin Polymerization","Organometallics","2013","32","24","7357","","10.1021/om400899g","","","0.71073","MoKα","","0.0833","0.0431","","","0.0771","0.0882","","","","","","1.005","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082121","13.087","0.003","10.008","0.002","35.975","0.007","90","","93.674","0.005","90","","4702.1","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H54 Cl2 N8 O4 Pt2 -","- C49 H54 Cl2 N8 O4 Pt2 -","- C196 H216 Cl8 N32 O16 Pt8 -","4","0.5","","Deibel, Naina; Hohloch, Stephan; Sommer, Michael G.; Schweinfurth, David; Ehret, Fabian; Braunstein, Pierre; Sarkar, Biprajit","Electrochromic Platinum(II) Complexes Derived from Azobenzene and Zwitterionic Quinonoid Ligands: Electronic and Geometric Structures","Organometallics","2013","32","24","7366","","10.1021/om4009179","","","0.71073","MoKα","","0.047","0.0401","","","0.1006","0.1086","","","","","","1.142","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082122","17.757","0.005","19.172","0.005","10.763","0.003","90","","90","","90","","3664.1","1.7","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C75 H90 N12 O9 Pt4 -","- C75 H90 N12 O9 Pt4 -","- C150 H180 N24 O18 Pt8 -","2","0.25","","Deibel, Naina; Hohloch, Stephan; Sommer, Michael G.; Schweinfurth, David; Ehret, Fabian; Braunstein, Pierre; Sarkar, Biprajit","Electrochromic Platinum(II) Complexes Derived from Azobenzene and Zwitterionic Quinonoid Ligands: Electronic and Geometric Structures","Organometallics","2013","32","24","7366","","10.1021/om4009179","","","0.71073","MoKα","","0.0678","0.0396","","","0.1031","0.1314","","","","","","1.162","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082123","14.526","0.0012","11.5792","0.0009","22.816","0.002","90","","96.59","0.007","90","","3812.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H42 F6 N6 O6 S2 -","- C32 H42 F6 N6 O6 S2 -","- C128 H168 F24 N24 O24 S8 -","4","1","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene","Organometallics","2013","32","24","7376","","10.1021/om4009185","","","1.54178","CuKα","","0.1643","0.119","","","0.3296","0.3618","","","","","","1.044","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082124","17.16","0.003","8.4072","0.0017","18.745","0.003","90","","111.946","0.005","90","","2508.3","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N6 -","- C28 H36 N6 -","- C112 H144 N24 -","4","1","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene","Organometallics","2013","32","24","7376","","10.1021/om4009185","","","0.71073","MoKα","","0.0956","0.0467","","","0.0993","0.1168","","","","","","1.005","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082125","9.936","0.0019","16.588","0.003","20.836","0.004","90","","90","","90","","3434.2","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H38 Cl3 F6 N4 P Ru -","- C30 H38 Cl3 F6 N4 P Ru -","- C120 H152 Cl12 F24 N16 P4 Ru4 -","4","1","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene","Organometallics","2013","32","24","7376","","10.1021/om4009185","","","0.71073","MoKα","","0.0384","0.0319","","","0.0746","0.0794","","","","","","1.064","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082126","25.763","0.002","16.6619","0.0016","21.024","0.002","90","","102.027","0.005","90","","8826.7","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 Cl3 F6 N6 P Ru -","- C39 H50 Cl3 F6 N6 P Ru -","- C312 H400 Cl24 F48 N48 P8 Ru8 -","8","2","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene","Organometallics","2013","32","24","7376","","10.1021/om4009185","","","0.71073","MoKα","","0.0966","0.053","","","0.126","0.1445","","","","","","1.043","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082127","14.212","0.004","18.02","0.005","17.412","0.005","90","","90","","90","","4459","2","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C43 H60 Cl F6 N6 O P Ru -","- C43 H60 Cl F6 N6 O P Ru -","- C172 H240 Cl4 F24 N24 O4 P4 Ru4 -","4","1","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene","Organometallics","2013","32","24","7376","","10.1021/om4009185","","","0.71073","MoKα","","0.0641","0.0552","","","0.1319","0.1374","","","","","","1.142","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082128","11.952","0.0019","15.533","0.003","18.866","0.003","90","","90","","90","","3502.5","1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H39 Cl3 F6 Ir N4 P -","- C30 H39 Cl3 F6 Ir N4 P -","- C120 H156 Cl12 F24 Ir4 N16 P4 -","4","1","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene","Organometallics","2013","32","24","7376","","10.1021/om4009185","","","0.71073","MoKα","","0.018","0.0165","","","0.0401","0.0407","","","","","","1.049","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082129","16.3007","0.0012","15.9298","0.0012","16.8752","0.0013","90","","97.219","0.004","90","","4347.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 Cl3 F6 Ir N6 P -","- C39 H51 Cl3 F6 Ir N6 P -","- C156 H204 Cl12 F24 Ir4 N24 P4 -","4","1","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene","Organometallics","2013","32","24","7376","","10.1021/om4009185","","","0.71073","MoKα","","0.0285","0.0195","","","0.0413","0.0444","","","","","","1.03","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082130","8.0389","0.0016","23.634","0.005","24.95","0.005","90","","90.97","0.03","90","","4739.6","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H59 Cl5 F6 Ir N6 P -","- C42 H59 Cl5 F6 Ir N6 P -","- C168 H236 Cl20 F24 Ir4 N24 P4 -","4","1","","Hohloch, Stephan; Suntrup, Lisa; Sarkar, Biprajit","Arene‒Ruthenium(II) and −Iridium(III) Complexes with “Click”-Based Pyridyl-triazoles, Bis-triazoles, and Chelating Abnormal Carbenes: Applications in Catalytic Transfer Hydrogenation of Nitrobenzene","Organometallics","2013","32","24","7376","","10.1021/om4009185","","","0.71073","MoKα","","0.0574","0.0461","","","0.1127","0.1196","","","","","","1.106","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082131","11.4436","0.0006","5.2965","0.0003","15.8782","0.0009","90","","97.601","0.003","90","","953.94","0.09","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 F N O3 -","- C10 H8 F N O3 -","- C40 H32 F4 N4 O12 -","4","1","","Kumar, Kewal; Biot, Christophe; Carrère-Kremer, Séverine; Kremer, Laurent; Guérardel, Yann; Roussel, Pascal; Kumar, Vipan","Base-Promoted Expedient Access to Spiroisatins: Synthesis and Antitubercular Evaluation of 1H-1,2,3-Triazole-Tethered Spiroisatin‒Ferrocene and Isatin‒Ferrocene Conjugates","Organometallics","2013","32","24","7386","","10.1021/om4009229","","","0.71073","MoKα","","0.1011","0.0552","","0.1414","0.0572","0.0528","","","","","","1.1209","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082132","11.4346","0.0017","19.023","0.003","15.856","0.002","90","","90","","90","","3449","0.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H53 B11 Na2 O4 Si -","- C22 H53 B11 Na2 O4 Si -","- C88 H212 B44 Na8 O16 Si4 -","4","0.5","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.1597","0.0754","","","0.2038","0.2598","","","","","","1.03","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082133","16.7451","0.0006","16.7451","0.0006","11.4298","0.0006","90","","90","","90","","3204.9","0.2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C20 H49 B11 Na2 O4 -","- C20 H47 B11 Na2 O4 -","- C80 H188 B44 Na8 O16 -","4","0.5","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.104","0.0884","","","0.2361","0.2575","","","","","","1.066","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082134","8.6516","0.0016","12.949","0.003","15.19","0.003","90","","97.624","0.003","90","","1686.7","0.6","296","2","296","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C11 H22 B12 -","- C11 H22 B12 -","- C44 H88 B48 -","4","2","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.0686","0.0523","","","0.1424","0.1572","","","","","","1.031","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082135","13.401","0.002","14.041","0.003","16.643","0.003","90","","90","","90","","3131.6","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H22 B12 Si -","- C6 H22 B12 Si -","- C48 H176 B96 Si8 -","8","1","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.1396","0.0667","","","0.1606","0.2033","","","","","","1.002","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082136","7.1477","0.001","14.2804","0.0019","15.2566","0.0019","90","","95.45","0.003","90","","1550.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H22 B12 Si -","- C6 H22 B12 Si -","- C24 H88 B48 Si4 -","4","1","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.2187","0.069","","","0.1704","0.246","","","","","","0.969","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082137","12.27","0.005","9.712","0.005","12.111","0.005","90","","109.878","0.01","90","","1357.2","1.1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C6 H20 B12 -","- C6 H20 B12 -","- C24 H80 B48 -","4","0.5","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.0778","0.0668","","","0.1881","0.203","","","","","","1.041","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082138","8.1522","0.0009","11.0823","0.0011","17.4988","0.0018","90","","90.865","0.002","90","","1580.8","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 B12 -","- C10 H20 B12 -","- C40 H80 B48 -","4","1","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.1206","0.058","","","0.1476","0.1862","","","","","","1.022","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082139","21.114","0.003","16.368","0.002","14.3131","0.0019","90","","97.043","0.003","90","","4909.2","1.1","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C4 H18 B12 -","- C4 H18 B12 -","- C64 H288 B192 -","16","2","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.1193","0.0686","","","0.1871","0.2302","","","","","","1.019","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082140","14.6928","0.0008","7.6394","0.0004","12.0671","0.0007","90","","113.57","0.001","90","","1241.46","0.12","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C4 H18 B12 -","- C4 H18 B12 -","- C16 H72 B48 -","4","0.5","","Zhang, Jian; Zheng, Fangrui; Xie, Zuowei","Synthesis and Characterization of 14-Vertex Carboranes","Organometallics","2013","32","24","7399","","10.1021/om4009235","","","0.71073","MoKα","","0.076","0.0661","","","0.2022","0.2226","","","","","","1.075","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082141","21.0188","0.0005","11.7455","0.0004","22.0402","0.0007","90","","90","","90","","5441.2","0.3","110","0.1","110","0.1","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C56.5 H50 B Cl3 F4 O4 P2 Ru -","- C56.5 H50 B Cl3 F4 O4 P2 Ru -","- C226 H200 B4 Cl12 F16 O16 P8 Ru4 -","4","1","","Smith, Elizabeth J.; Johnson, David G.; Thatcher, Robert J.; Whitwood, Adrian C.; Lynam, Jason M.","Mapping the Elimination of Water from Hydroxyvinylidene Complexes of Ruthenium(II): Access to Allenylidene and Vinylvinylidene Complexes in a Stepwise Fashion","Organometallics","2013","32","24","7407","","10.1021/om4009247","","","0.7107","MoKα","","0.0718","0.0647","","","0.1514","0.1559","","","","","","1.147","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082142","13.7465","0.0005","18.704","0.0007","19.7169","0.0006","109.732","0.003","90.58","0.003","107.771","0.003","4507.8","0.3","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C48.15 H49.6 B F4 O5 P2 Ru -","- C48.1475 H49.599 B F4 O4.9985 P2 Ru -","- C192.59 H198.396 B4 F16 O19.994 P8 Ru4 -","4","2","","Smith, Elizabeth J.; Johnson, David G.; Thatcher, Robert J.; Whitwood, Adrian C.; Lynam, Jason M.","Mapping the Elimination of Water from Hydroxyvinylidene Complexes of Ruthenium(II): Access to Allenylidene and Vinylvinylidene Complexes in a Stepwise Fashion","Organometallics","2013","32","24","7407","","10.1021/om4009247","","","0.7107","MoKα","","0.0647","0.046","","","0.1211","0.128","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082143","12.984","0.0004","14.1298","0.0005","18.118","0.0006","89.703","0.003","81.511","0.003","63.313","0.003","2930.29","0.19","110","0.1","110","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C66.06 H53.12 B Cl2.12 F4 O4 P2 Ru -","- C66.058 H53.116 B Cl2.116 F4 O4 P2 Ru -","- C132.116 H106.232 B2 Cl4.232 F8 O8 P4 Ru2 -","2","1","","Smith, Elizabeth J.; Johnson, David G.; Thatcher, Robert J.; Whitwood, Adrian C.; Lynam, Jason M.","Mapping the Elimination of Water from Hydroxyvinylidene Complexes of Ruthenium(II): Access to Allenylidene and Vinylvinylidene Complexes in a Stepwise Fashion","Organometallics","2013","32","24","7407","","10.1021/om4009247","","","0.7107","MoKα","","0.0625","0.0458","","","0.095","0.1044","","","","","","1.035","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082144","14.0432","0.0011","14.254","0.001","15.1618","0.0011","76.741","0.006","77.713","0.006","69.227","0.007","2733.1","0.4","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C59 H52 B F4 O3 P3 Ru -","- C59 H52 B F4 O3 P3 Ru -","- C118 H104 B2 F8 O6 P6 Ru2 -","2","1","","Smith, Elizabeth J.; Johnson, David G.; Thatcher, Robert J.; Whitwood, Adrian C.; Lynam, Jason M.","Mapping the Elimination of Water from Hydroxyvinylidene Complexes of Ruthenium(II): Access to Allenylidene and Vinylvinylidene Complexes in a Stepwise Fashion","Organometallics","2013","32","24","7407","","10.1021/om4009247","","","0.7107","MoKα","","0.0642","0.0486","","","0.1156","0.1241","","","","","","1.062","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082145","11.1443","0.0003","13.0096","0.0003","18.0739","0.0006","105.546","0.002","105.975","0.003","100.147","0.002","2337.01","0.13","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C57 H51 O4.5 P2 Ru -","- C57 H51 O4.5 P2 Ru -","- C114 H102 O9 P4 Ru2 -","2","1","","Smith, Elizabeth J.; Johnson, David G.; Thatcher, Robert J.; Whitwood, Adrian C.; Lynam, Jason M.","Mapping the Elimination of Water from Hydroxyvinylidene Complexes of Ruthenium(II): Access to Allenylidene and Vinylvinylidene Complexes in a Stepwise Fashion","Organometallics","2013","32","24","7407","","10.1021/om4009247","","","0.7107","MoKα","","0.0365","0.0295","","","0.0676","0.0719","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082146","9.5638","0.0005","11.9179","0.0007","18.5356","0.001","79.011","0.005","88.831","0.004","86.219","0.004","2069.4","0.2","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C53 H44 O3 P2 Ru -","- C53 H44 O3 P2 Ru -","- C106 H88 O6 P4 Ru2 -","2","1","","Smith, Elizabeth J.; Johnson, David G.; Thatcher, Robert J.; Whitwood, Adrian C.; Lynam, Jason M.","Mapping the Elimination of Water from Hydroxyvinylidene Complexes of Ruthenium(II): Access to Allenylidene and Vinylvinylidene Complexes in a Stepwise Fashion","Organometallics","2013","32","24","7407","","10.1021/om4009247","","","0.7107","MoKα","","0.0483","0.0358","","","0.0739","0.0794","","","","","","1.036","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082147","19.3","0.003","7.7161","0.001","12.3941","0.0017","90","","113.586","0.006","90","","1691.5","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H25 B N2 Si -","- C16 H25 B N2 Si -","- C64 H100 B4 N8 Si4 -","4","1","","Boussonnière, Anne; Pan, Xiangcheng; Geib, Steven J.; Curran, Dennis P.","Borenium-Catalyzed Hydroborations of Silyl-Substituted Alkenes and Alkynes with a Readily Available N-Heterocyclic Carbene‒Borane","Organometallics","2013","32","24","7445","","10.1021/om400932g","","","1.54178","CuKα","","0.1302","0.0362","","","0.1052","0.1637","","","","","","1.709","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082148","30.7077","0.001","9.2084","0.0003","18.7702","0.0007","90","","110.243","0.002","90","","4979.8","0.3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 F8 Ni P S -","- C26 H23 F8 Ni P S -","- C208 H184 F64 Ni8 P8 S8 -","8","1","","Giffin, Kaitie A.; Harrison, Daniel J.; Korobkov, Ilia; Baker, R. Tom","Activation of C‒F and Ni‒C Bonds of [P,S]-Ligated Nickel Perfluorometallacycles","Organometallics","2013","32","24","7424","","10.1021/om400933k","","","0.71073","MoKα","","0.0297","0.0257","","","0.0709","0.0736","","","","","","1.038","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082149","9.8682","0.001","10.2193","0.0011","16.1854","0.0018","90.075","0.005","91.874","0.005","115.28","0.004","1474.9","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H23 F10 Ni O3 P S2 -","- C27 H23 F10 Ni O3 P S2 -","- C54 H46 F20 Ni2 O6 P2 S4 -","2","1","","Giffin, Kaitie A.; Harrison, Daniel J.; Korobkov, Ilia; Baker, R. Tom","Activation of C‒F and Ni‒C Bonds of [P,S]-Ligated Nickel Perfluorometallacycles","Organometallics","2013","32","24","7424","","10.1021/om400933k","","","0.71073","MoKα","","0.0317","0.0279","","","0.0742","0.0772","","","","","","1.034","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082150","28.202","0.004","28.202","0.004","16.579","0.001","90","","90","","120","","11420","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C26 H29 Cl N2 O3 Ru -","- C26 H27 Cl N2 O3 Ru -","- C468 H486 Cl18 N36 O54 Ru18 -","18","1","","Belsa, Lluís; López, Concepción; González, Asensio; Font-Bard\?ía, Mercè; Calvet, Teresa; Calvis, Carmen; Messeguer, Ramon","Neutral and Ionic Cycloruthenated 2-Phenylindoles as Cytotoxic Agents","Organometallics","2013","32","24","7264","","10.1021/om400941b","","","0.71073","MoKα","","0.0693","0.0626","","","0.1743","0.1791","","","","","","1.165","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082151","11.07","0.05","30.339","0.017","7.947","0.006","90","","98.07","0.04","90","","2643","12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H50 Cl6 N4 O2 Ru2 -","- C51 H50 Cl6 N4 O2 Ru2 -","- C102 H100 Cl12 N8 O4 Ru4 -","2","0.5","","Belsa, Lluís; López, Concepción; González, Asensio; Font-Bard\?ía, Mercè; Calvet, Teresa; Calvis, Carmen; Messeguer, Ramon","Neutral and Ionic Cycloruthenated 2-Phenylindoles as Cytotoxic Agents","Organometallics","2013","32","24","7264","","10.1021/om400941b","","","0.71073","MoKα","","0.1444","0.0434","","","0.0825","0.0996","","","","","","0.821","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082152","11.918","0.005","22.919","0.009","12.246","0.004","90","","90.891","0.003","90","","3345","2","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H75 La O9 Zn3 -","- C78 H75 La O9 Zn3 -","- C156 H150 La2 O18 Zn6 -","2","1","","Nieto, Ismael; Wooten, Alfred J.; Robinson, Jerome R.; Carroll, Patrick J.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis and Catalytic Activity of Heterobimetallic Rare Earth‒Zinc Ethyl BINOLate Analogues of Shibasaki’s Catalysts","Organometallics","2013","32","24","7431","","10.1021/om4009444","","","0.71069","MoKα","","0.0685","0.0562","","","0.1392","0.151","","","","","","1.062","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082153","11.9416","0.0009","22.9328","0.0018","12.2427","0.001","90","","91.173","0.003","90","","3352","0.5","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H75 O9 Pr Zn3 -","- C78 H75 O9 Pr Zn3 -","- C156 H150 O18 Pr2 Zn6 -","2","1","","Nieto, Ismael; Wooten, Alfred J.; Robinson, Jerome R.; Carroll, Patrick J.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis and Catalytic Activity of Heterobimetallic Rare Earth‒Zinc Ethyl BINOLate Analogues of Shibasaki’s Catalysts","Organometallics","2013","32","24","7431","","10.1021/om4009444","","","0.71073","MoKα","","0.019","0.0174","","","0.0419","0.0428","","","","","","1.067","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082154","11.9711","0.0008","22.8396","0.0016","12.191","0.0009","90","","91.279","0.001","90","","3332.4","0.4","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C78 H75 Eu O9 Zn3 -","- C78 H75 Eu O9 Zn3 -","- C156 H150 Eu2 O18 Zn6 -","2","1","","Nieto, Ismael; Wooten, Alfred J.; Robinson, Jerome R.; Carroll, Patrick J.; Schelter, Eric J.; Walsh, Patrick J.","Synthesis and Catalytic Activity of Heterobimetallic Rare Earth‒Zinc Ethyl BINOLate Analogues of Shibasaki’s Catalysts","Organometallics","2013","32","24","7431","","10.1021/om4009444","","","0.71069","MoKα","","0.0444","0.0371","","","0.1005","0.1489","","","","","","1.073","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082155","16.6571","0.0019","11.0517","0.0012","17.2586","0.0019","90","","108.073","0.002","90","","3020.4","0.6","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 As F10 N P Pt -","- C31 H27 As F10 N P Pt -","- C124 H108 As4 F40 N4 P4 Pt4 -","4","1","","Mirzadeh, Nedaossadat; Privér, Steven H.; Bennett, Martin A.; Wagler, Jörg; Bhargava, Suresh K.","Divalent Platinum Complexes of the Carbanion 2-C6F4AsPh2: Monodentate or Bidentate Coordination?","Organometallics","2013","32","24","7451","","10.1021/om400961z","","","0.71073","MoKα","","0.0505","0.0296","","","0.0559","0.0598","","","","","","0.996","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082156","11.0755","0.0012","11.5237","0.0011","20.814","0.002","90","","90","","90","","2656.5","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 As F7 O3 Pt S -","- C27 H22 As F7 O3 Pt S -","- C108 H88 As4 F28 O12 Pt4 S4 -","4","1","","Mirzadeh, Nedaossadat; Privér, Steven H.; Bennett, Martin A.; Wagler, Jörg; Bhargava, Suresh K.","Divalent Platinum Complexes of the Carbanion 2-C6F4AsPh2: Monodentate or Bidentate Coordination?","Organometallics","2013","32","24","7451","","10.1021/om400961z","","","0.71073","MoKα","","0.0289","0.0247","","","0.0486","0.0496","","","","","","0.968","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082157","10.8041","0.0014","20.606","0.003","10.8053","0.0014","90","","103.694","0.003","90","","2337.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 As F4 Pt -","- C27 H25 As F4 Pt -","- C108 H100 As4 F16 Pt4 -","4","1","","Mirzadeh, Nedaossadat; Privér, Steven H.; Bennett, Martin A.; Wagler, Jörg; Bhargava, Suresh K.","Divalent Platinum Complexes of the Carbanion 2-C6F4AsPh2: Monodentate or Bidentate Coordination?","Organometallics","2013","32","24","7451","","10.1021/om400961z","","","0.71073","MoKα","","0.0294","0.0204","","","0.0411","0.0426","","","","","","1.026","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082158","10.7508","0.0006","11.5678","0.0006","20.649","0.001","90","","90","","90","","2568","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 As F10 P Pt -","- C26 H22 As F10 P Pt -","- C104 H88 As4 F40 P4 Pt4 -","4","1","","Mirzadeh, Nedaossadat; Privér, Steven H.; Bennett, Martin A.; Wagler, Jörg; Bhargava, Suresh K.","Divalent Platinum Complexes of the Carbanion 2-C6F4AsPh2: Monodentate or Bidentate Coordination?","Organometallics","2013","32","24","7451","","10.1021/om400961z","","","0.71073","MoKα","","0.016","0.0151","","","0.034","0.0342","","","","","","1.036","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082159","13.0481","0.0005","11.4654","0.0005","18.079","0.0007","90","","102.181","0.001","90","","2643.76","0.18","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 As Au Cl F4 I Pt -","- C26 H22 As Au Cl F4 I Pt -","- C104 H88 As4 Au4 Cl4 F16 I4 Pt4 -","4","1","","Mirzadeh, Nedaossadat; Privér, Steven H.; Bennett, Martin A.; Wagler, Jörg; Bhargava, Suresh K.","Divalent Platinum Complexes of the Carbanion 2-C6F4AsPh2: Monodentate or Bidentate Coordination?","Organometallics","2013","32","24","7451","","10.1021/om400961z","","","0.71073","MoKα","","0.0271","0.0212","","","0.0471","0.0485","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4082160","10.861","0.0004","18.6761","0.0009","11.8121","0.0004","90","","93.598","0.003","90","","2391.26","0.17","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H22 As F4 I Pt -","- C26 H22 As F4 I Pt -","- C104 H88 As4 F16 I4 Pt4 -","4","2","","Mirzadeh, Nedaossadat; Privér, Steven H.; Bennett, Martin A.; Wagler, Jörg; Bhargava, Suresh K.","Divalent Platinum Complexes of the Carbanion 2-C6F4AsPh2: Monodentate or Bidentate Coordination?","Organometallics","2013","32","24","7451","","10.1021/om400961z","","","0.71073","MoKα","","0.0434","0.0307","","","0.0485","0.0511","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082161","21.3142","0.0007","9.5252","0.0002","11.7327","0.0003","90","","90","","90","","2382","0.11","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C26 H22 As F4 I Pt -","- C26 H22 As F4 I Pt -","- C104 H88 As4 F16 I4 Pt4 -","4","1","","Mirzadeh, Nedaossadat; Privér, Steven H.; Bennett, Martin A.; Wagler, Jörg; Bhargava, Suresh K.","Divalent Platinum Complexes of the Carbanion 2-C6F4AsPh2: Monodentate or Bidentate Coordination?","Organometallics","2013","32","24","7451","","10.1021/om400961z","","","0.71073","MoKα","","0.0386","0.0324","","","0.0741","0.0766","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4082162","13.476","0.003","16.531","0.005","16.923","0.005","64.234","0.005","79.005","0.006","67.803","0.007","3141.9","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H74 Cl2 N4 O2 Zr -","- C74 H74 Cl2 N4 O2 Zr -","- C148 H148 Cl4 N8 O4 Zr2 -","2","1","","Li, Aike; Ma, Haiyan; Huang, Jiling","Highly Thermally Stable Eight-Coordinate Dichloride Zirconium Complexes Supported by Tridentate [ONN] Ligands: Syntheses, Characterization, and Ethylene Polymerization Behavior","Organometallics","2013","32","24","7460","","10.1021/om4009636","","","0.71073","MoKα","","0.1161","0.0647","","","0.1497","0.1799","","","","","","0.989","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082163","15.04","0.002","16.687","0.002","18.15","0.002","110.748","0.002","107.264","0.002","95.814","0.002","3957.6","0.8","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H106 Cl2 N4 O7 Zr -","- C90 H106 Cl2 N4 O7 Zr -","- C180 H212 Cl4 N8 O14 Zr2 -","2","1","","Li, Aike; Ma, Haiyan; Huang, Jiling","Highly Thermally Stable Eight-Coordinate Dichloride Zirconium Complexes Supported by Tridentate [ONN] Ligands: Syntheses, Characterization, and Ethylene Polymerization Behavior","Organometallics","2013","32","24","7460","","10.1021/om4009636","","","0.71073","MoKα","","0.1045","0.0668","","","0.1806","0.2171","","","","","","1.044","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082164","7.576","0.002","9.482","0.003","10.019","0.004","85.769","0.013","69.111","0.01","73.225","0.012","643.5","0.4","123.1","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 B2 N2 P2 -","- C26 H32 B2 N2 P2 -","- C26 H32 B2 N2 P2 -","1","0.5","","Nakajima, Takayuki; Fukushima, Yuki; Tsuji, Minori; Hamada, Naoko; Kure, Bunsho; Tanase, Tomoaki","Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2‒4)","Organometallics","2013","32","24","7470","","10.1021/om400965j","","","0.7107","MoKα","","","0.06","","","","0.195","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082165","9.344","0.004","12.029","0.006","13.43","0.008","84.066","0.018","89.81","0.02","68.865","0.015","1399.5","1.3","223.1","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 B2 N2 P2 -","- C28 H36 B2 N2 P2 -","- C56 H72 B4 N4 P4 -","2","1","","Nakajima, Takayuki; Fukushima, Yuki; Tsuji, Minori; Hamada, Naoko; Kure, Bunsho; Tanase, Tomoaki","Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2‒4)","Organometallics","2013","32","24","7470","","10.1021/om400965j","","","0.7107","MoKα","","","0.0688","","","","0.1951","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082166","11.941","0.009","12.896","0.009","16.808","0.013","94.508","0.014","108.464","0.016","93.533","0.007","2437","3","153","","153","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H56 B2 Cl2 F8 Ir2 N2 P2 -","- C46 H56 B2 Cl2 F8 Ir2 N2 P2 -","- C92 H112 B4 Cl4 F16 Ir4 N4 P4 -","2","1","","Nakajima, Takayuki; Fukushima, Yuki; Tsuji, Minori; Hamada, Naoko; Kure, Bunsho; Tanase, Tomoaki","Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2‒4)","Organometallics","2013","32","24","7470","","10.1021/om400965j","","","0.71075","MoKα","","","0.0815","","","","0.2337","","","","","","1.073","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082167","10.299","0.004","25.652","0.01","28.619","0.012","109.201","0.008","94.241","0.008","90.45","0.009","7117","5","153","","153","","","","","","","","","8","P -1","-P 1","2","","","","- C51 H61 B2 Cl17 F8 Ir2 N2 P2 -","- C51 H48.5 B2 Cl17 F8 Ir2 N2 P2 -","- C204 H194 B8 Cl68 F32 Ir8 N8 P8 -","4","2","","Nakajima, Takayuki; Fukushima, Yuki; Tsuji, Minori; Hamada, Naoko; Kure, Bunsho; Tanase, Tomoaki","Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2‒4)","Organometallics","2013","32","24","7470","","10.1021/om400965j","","","0.71075","MoKα","","","0.0583","","","","0.1658","","","","","","1.063","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082168","8.623","0.003","12.042","0.006","12.231","0.005","84.88","0.03","74.73","0.02","75.65","0.02","1186.6","0.9","153","","153","","","","","","","","","8","P -1","-P 1","2","","","","- C46 H56 B2 Cl2 F8 N2 P2 Rh2 -","- C46 H56 B2 Cl2 F8 N2 P2 Rh2 -","- C46 H56 B2 Cl2 F8 N2 P2 Rh2 -","1","0.5","","Nakajima, Takayuki; Fukushima, Yuki; Tsuji, Minori; Hamada, Naoko; Kure, Bunsho; Tanase, Tomoaki","Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2‒4)","Organometallics","2013","32","24","7470","","10.1021/om400965j","","","0.71075","MoKα","","","0.0366","","","","0.1203","","","","","","1.111","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082169","9.34","0.008","10.711","0.008","25.647","0.013","91.729","0.009","97.689","0.009","100.386","0.008","2497","3","153","","153","","","","","","","","","8","P -1","-P 1","2","","","","- C47 H58 B2 Cl2 F8 Ir2 N2 P2 -","- C47 H58 B2 Cl2 F8 Ir2 N2 P2 -","- C94 H116 B4 Cl4 F16 Ir4 N4 P4 -","2","1","","Nakajima, Takayuki; Fukushima, Yuki; Tsuji, Minori; Hamada, Naoko; Kure, Bunsho; Tanase, Tomoaki","Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2‒4)","Organometallics","2013","32","24","7470","","10.1021/om400965j","","","0.71075","MoKα","","","0.068","","","","0.1945","","","","","","1.033","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082170","9.818","0.004","17.63","0.008","17.634","0.007","85.98","0.005","78.846","0.006","81.203","0.004","2957","2","153","","153","","","","","","","","","8","P -1","-P 1","2","","","","- C49 H63 Cl2 F12 N2 O0.5 P4 Rh2 -","- C49 H58 Cl2 F12 N2 O0.5 P4 Rh2 -","- C98 H116 Cl4 F24 N4 O P8 Rh4 -","2","1","","Nakajima, Takayuki; Fukushima, Yuki; Tsuji, Minori; Hamada, Naoko; Kure, Bunsho; Tanase, Tomoaki","Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2‒4)","Organometallics","2013","32","24","7470","","10.1021/om400965j","","","0.71075","MoKα","","","0.0601","","","","0.2008","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082171","10.88","0.008","11.869","0.008","16.319","0.01","84.006","0.007","81.107","0.007","69.797","0.006","1951","2","153","","153","","","","","","","","","8","P -1","-P 1","2","","","","- C54 H66 B2 Cl20 F8 Ir2 N2 P2 -","- C54 H66 B2 Cl20 F8 Ir2 N2 P2 -","- C54 H66 B2 Cl20 F8 Ir2 N2 P2 -","1","0.5","","Nakajima, Takayuki; Fukushima, Yuki; Tsuji, Minori; Hamada, Naoko; Kure, Bunsho; Tanase, Tomoaki","Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2‒4)","Organometallics","2013","32","24","7470","","10.1021/om400965j","","","0.71075","MoKα","","","0.0483","","","","0.1312","","","","","","1","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082172","12.604","0.003","12.62","0.002","16.605","0.003","73.122","0.004","86.232","0.006","85.528","0.006","2517.2","0.9","123.1","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 B2 Cl2 F8 Ir2 N2 P2 -","- C48 H60 B2 Cl2 F8 Ir2 N2 P2 -","- C96 H120 B4 Cl4 F16 Ir4 N4 P4 -","2","1","","Nakajima, Takayuki; Fukushima, Yuki; Tsuji, Minori; Hamada, Naoko; Kure, Bunsho; Tanase, Tomoaki","Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2‒4)","Organometallics","2013","32","24","7470","","10.1021/om400965j","","","0.7107","MoKα","","","0.051","","","","0.1641","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082173","12.595","0.004","12.624","0.004","16.522","0.005","86.342","0.009","73.366","0.007","85.208","0.008","2506.1","1.4","123.1","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H60 B2 Cl2 F8 N2 P2 Rh2 -","- C48 H60 B2 Cl2 F8 N2 P2 Rh2 -","- C96 H120 B4 Cl4 F16 N4 P4 Rh4 -","2","1","","Nakajima, Takayuki; Fukushima, Yuki; Tsuji, Minori; Hamada, Naoko; Kure, Bunsho; Tanase, Tomoaki","Configurational Isomerization of Dinuclear Iridium and Rhodium Complexes with a Series of NPPN Ligands, 2-PyCH2(Ph)P(CH2)nP(Ph)CH2-2-Py (Py = Pyridyl,n= 2‒4)","Organometallics","2013","32","24","7470","","10.1021/om400965j","","","0.7107","MoKα","","","0.0663","","","","0.1766","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082174","10.7695","0.0007","10.8569","0.0007","17.5269","0.001","105.829","0.003","101.06","0.003","95.143","0.003","1913","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sjc06","sjc06","","- C36 H31 B F20 Si2 -","- C36 H31 B F20 Si2 -","- C72 H62 B2 F40 Si4 -","2","1","","Connelly, Samantha J.; Kaminsky, Werner; Heinekey, D. Michael","Structure and Solution Reactivity of (Triethylsilylium)triethylsilane Cations","Organometallics","2013","32","24","7478","","10.1021/om400970j","","","0.71073","MoKα","","0.1601","0.0655","","","0.1423","0.1791","","","","","","1.01","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082175","14.8561","0.0003","18.8634","0.0004","10.393","0.0002","90","","105.51","0.001","90","","2806.44","0.1","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H23 O6 P W -","- C32 H23 O6 P W -","- C128 H92 O24 P4 W4 -","4","1","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","Annelation of Phosphole-Substituted Fischer Carbene Complexes by Alkynes","Organometallics","2013","32","24","7482","","10.1021/om4009795","","","0.71073","MoKα","","0.0382","0.0257","","","0.0524","0.0563","","","","","","1.02","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082176","12.0588","0.0011","10.7193","0.0009","15.8075","0.0014","90","","104.875","0.002","90","","1974.8","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 O6 P W -","- C19 H15 O6 P W -","- C76 H60 O24 P4 W4 -","4","1","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","Annelation of Phosphole-Substituted Fischer Carbene Complexes by Alkynes","Organometallics","2013","32","24","7482","","10.1021/om4009795","","","0.71073","MoKα","","0.0332","0.0234","","","0.0513","0.0544","","","","","","1.092","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082177","20.414","0.002","12.6386","0.0012","22.2892","0.0018","90","","106.811","0.003","90","","5504.9","0.9","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O7 P W -","- C29 H23 O7 P W -","- C232 H184 O56 P8 W8 -","8","2","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","Annelation of Phosphole-Substituted Fischer Carbene Complexes by Alkynes","Organometallics","2013","32","24","7482","","10.1021/om4009795","","","0.71073","","","0.0522","0.036","","","0.1011","0.1375","","","","","","1.159","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082178","10.2561","0.0002","10.9951","0.0002","11.4642","0.0003","64.58","0.001","69.869","0.001","62.637","0.001","1019.45","0.04","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 O6 P S W -","- C19 H15 O6 P S W -","- C38 H30 O12 P2 S2 W2 -","2","1","","Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","Annelation of Phosphole-Substituted Fischer Carbene Complexes by Alkynes","Organometallics","2013","32","24","7482","","10.1021/om4009795","","","0.71073","MoKα","","0.0588","0.0376","","","0.0793","0.1033","","","","","","0.979","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082179","7.9755","0.0006","12.7425","0.0008","24.261","0.002","90","","90","","90","","2465.6","0.3","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","MesNHC-Pd","","","- C22 H25 Cl2 N3 O Pd S -","- C22 H25 Cl2 N3 O Pd S -","- C88 H100 Cl8 N12 O4 Pd4 S4 -","4","1","","Tato, Francisco; Garc\?ía-Dom\?ínguez, Andrés; Cárdenas, Diego J.","Palladium-Catalyzed Acetoxylation of Arenes by Novel Sulfinyl N-Heterocyclic Carbene Ligand Complexes","Organometallics","2013","32","24","7487","","10.1021/om400981x","","","0.71073","","","0.0477","0.0381","","","0.1077","0.123","","","","","","1.074","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082180","19.4303","0.0003","11.82","0.0002","19.4801","0.0003","90","","100.165","0.001","90","","4403.7","0.12","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","tBuPd","","","- C34 H48 Cl4 N4 O6 Pd2 S2 -","- C34 H48 Cl4 N4 O6 Pd2 S2 -","- C136 H192 Cl16 N16 O24 Pd8 S8 -","4","0.5","","Tato, Francisco; Garc\?ía-Dom\?ínguez, Andrés; Cárdenas, Diego J.","Palladium-Catalyzed Acetoxylation of Arenes by Novel Sulfinyl N-Heterocyclic Carbene Ligand Complexes","Organometallics","2013","32","24","7487","","10.1021/om400981x","","","0.71073","","","0.0514","0.0384","","","0.114","0.1304","","","","","","1.002","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082181","11.301","0.002","18.107","0.004","12.29","0.003","90","","112.24","0.03","90","","2327.8","1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Li2 N8 O2 P2 -","- C42 H68 Li2 N8 O2 P2 -","- C84 H136 Li4 N16 O4 P4 -","2","0.5","","Andrews, Philip C.; Blair, Victoria L.; Border, Emily C.; Peatt, Anna C.; MacLellan, Jonathan G.; Thompson, Christopher D.","Alkali-Metal-Induced C‒C Bond Cleavage and CH4Elimination in the Amido →Aza-Allyl Transformation of the (S)-N-α-(Methylbenzyl)benzylamido Anion","Organometallics","2013","32","24","7509","","10.1021/om400997b","","","0.71073","MoKα","","0.0997","0.0578","","","0.1365","0.1555","","","","","","1.079","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082182","9.3243","0.0019","11.022","0.002","13.79","0.003","89.26","0.03","71.2","0.03","72.66","0.03","1275.2","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H38 N Na O3 -","- C27 H38 N Na O3 -","- C54 H76 N2 Na2 O6 -","2","1","","Andrews, Philip C.; Blair, Victoria L.; Border, Emily C.; Peatt, Anna C.; MacLellan, Jonathan G.; Thompson, Christopher D.","Alkali-Metal-Induced C‒C Bond Cleavage and CH4Elimination in the Amido →Aza-Allyl Transformation of the (S)-N-α-(Methylbenzyl)benzylamido Anion","Organometallics","2013","32","24","7509","","10.1021/om400997b","","","0.71073","MoKα","","0.1622","0.0691","","","0.1691","0.2084","","","","","","0.968","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082183","8.955","0.0018","24.658","0.005","11.937","0.002","90","","111.45","0.03","90","","2453.3","1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 N3 Na O -","- C25 H38 N3 Na O -","- C100 H152 N12 Na4 O4 -","4","1","","Andrews, Philip C.; Blair, Victoria L.; Border, Emily C.; Peatt, Anna C.; MacLellan, Jonathan G.; Thompson, Christopher D.","Alkali-Metal-Induced C‒C Bond Cleavage and CH4Elimination in the Amido →Aza-Allyl Transformation of the (S)-N-α-(Methylbenzyl)benzylamido Anion","Organometallics","2013","32","24","7509","","10.1021/om400997b","","","0.71073","MoKα","","0.1302","0.0703","","","0.1774","0.2061","","","","","","1.103","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082184","15.165","0.003","9.642","0.0019","28.075","0.006","90","","93.79","0.03","90","","4096.2","1.4","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H30 N3 Na -","- C21 H30 N3 Na -","- C168 H240 N24 Na8 -","8","1","","Andrews, Philip C.; Blair, Victoria L.; Border, Emily C.; Peatt, Anna C.; MacLellan, Jonathan G.; Thompson, Christopher D.","Alkali-Metal-Induced C‒C Bond Cleavage and CH4Elimination in the Amido →Aza-Allyl Transformation of the (S)-N-α-(Methylbenzyl)benzylamido Anion","Organometallics","2013","32","24","7509","","10.1021/om400997b","","","0.71073","MoKα","","0.1288","0.054","","","0.1289","0.1547","","","","","","0.99","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082185","9.3466","0.0019","9.971","0.002","29.427","0.006","83.5","0.03","86.51","0.03","62.8","0.03","2423.4","1.1","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H37 K N4 -","- C24 H37 K N4 -","- C96 H148 K4 N16 -","4","4","","Andrews, Philip C.; Blair, Victoria L.; Border, Emily C.; Peatt, Anna C.; MacLellan, Jonathan G.; Thompson, Christopher D.","Alkali-Metal-Induced C‒C Bond Cleavage and CH4Elimination in the Amido →Aza-Allyl Transformation of the (S)-N-α-(Methylbenzyl)benzylamido Anion","Organometallics","2013","32","24","7509","","10.1021/om400997b","","","0.71073","MoKα","","0.1244","0.0566","","","0.0885","0.1085","","","","","","0.931","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082186","12.094","0.002","13.575","0.003","21.239","0.004","92.92","0.03","98.09","0.03","113.9","0.03","3133.7","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H45 Cl3 Cu N10 O13 Ru -","- C54 H45 Cl3 Cu N10 O13 Ru -","- C108 H90 Cl6 Cu2 N20 O26 Ru2 -","2","1","","Gong, Zhong-Liang; Zhong, Yu-Wu","Stepwise Coordination Followed by Oxidation Mechanism for the Multichannel Detection of Cu2+in an Aqueous Environment","Organometallics","2013","32","24","7495","","10.1021/om400999h","","","0.71073","MoKα","","0.2177","0.1651","","","0.3825","0.4162","","","","","","1.723","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082187","8.3846","0.0009","15.3905","0.0015","12.2821","0.0012","90","","99.441","0.003","90","","1563.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 F5 Zn -","- C16 H15 F5 Zn -","- C64 H60 F20 Zn4 -","4","1","","Jochmann, Phillip; Stephan, Douglas W.","Reactions of CO2with Heteroleptic Zinc and Zinc‒NHC Complexes","Organometallics","2013","32","24","7503","","10.1021/om401000s","","","0.71073","MoKα","","0.0446","0.0322","","","0.1046","0.1163","","","","","","0.879","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082188","9.6175","0.0007","14.9363","0.0011","18.0693","0.0013","90","","90","","90","","2595.7","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 F5 N2 Zn -","- C27 H35 F5 N2 Zn -","- C108 H140 F20 N8 Zn4 -","4","1","","Jochmann, Phillip; Stephan, Douglas W.","Reactions of CO2with Heteroleptic Zinc and Zinc‒NHC Complexes","Organometallics","2013","32","24","7503","","10.1021/om401000s","","","0.71073","MoKα","","0.045","0.0381","","","0.0949","0.0986","","","","","","1.005","","","","has coordinates,has disorder","178710","2020-10-21","18:00:00",""
"4082189","10.7999","0.001","11.0455","0.0011","17.5379","0.0017","93.117","0.005","93.159","0.005","111.096","0.005","1942.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H51 F5 N2 Zn -","- C43 H51 F5 N2 Zn -","- C86 H102 F10 N4 Zn2 -","2","1","","Jochmann, Phillip; Stephan, Douglas W.","Reactions of CO2with Heteroleptic Zinc and Zinc‒NHC Complexes","Organometallics","2013","32","24","7503","","10.1021/om401000s","","","0.71073","MoKα","","0.0493","0.037","","","0.0916","0.0974","","","","","","1.037","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082190","29.173","0.003","14.1126","0.0017","9.4718","0.001","90","","90","","90","","3899.6","0.7","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C43 H45 F5 N2 Zn -","- C43 H45 F5 N2 Zn -","- C172 H180 F20 N8 Zn4 -","4","1","","Jochmann, Phillip; Stephan, Douglas W.","Reactions of CO2with Heteroleptic Zinc and Zinc‒NHC Complexes","Organometallics","2013","32","24","7503","","10.1021/om401000s","","","0.71073","MoKα","","0.1341","0.0522","","","0.0706","0.0885","","","","","","0.943","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082191","12.212","0.004","13.175","0.004","19.065","0.005","70.984","0.015","76.826","0.018","85.401","0.017","2823.6","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C116 H106 F30 O12 Zn6 -","- C116 H106 F30 O12 Zn6 -","- C116 H106 F30 O12 Zn6 -","1","0.5","","Jochmann, Phillip; Stephan, Douglas W.","Reactions of CO2with Heteroleptic Zinc and Zinc‒NHC Complexes","Organometallics","2013","32","24","7503","","10.1021/om401000s","","","0.71073","MoKα","","0.1092","0.0625","","","0.1114","0.1183","","","","","","1.73","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082192","13.7145","0.0014","16.2277","0.0018","16.6177","0.0018","79.632","0.004","76.84","0.004","66.213","0.003","3279.1","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C66.5 H82 F10 N4 O4 Zn2 -","- C66.5 H82 F10 N4 O4 Zn2 -","- C133 H164 F20 N8 O8 Zn4 -","2","1","","Jochmann, Phillip; Stephan, Douglas W.","Reactions of CO2with Heteroleptic Zinc and Zinc‒NHC Complexes","Organometallics","2013","32","24","7503","","10.1021/om401000s","","","0.71073","MoKα","","0.0657","0.0387","","","0.1085","0.1295","","","","","","0.83","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082193","16.6135","0.0002","17.1813","0.0002","19.3943","0.0002","90","","90","","90","","5535.94","0.11","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","C5Me5Ti(PhDIPA)(NOtBu)","","- C27 H43 N3 O Ti -","- C27 H43 N3 O Ti -","- C216 H344 N24 O8 Ti8 -","8","2","","Groom, Laura R.; Schwarz, Andrew D.; Nova, Ainara; Clot, Eric; Mountford, Philip","Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titaniumtert-Butoxyimido Compound","Organometallics","2013","32","24","7520","","10.1021/om401008a","","","0.71073","MoKα","","0.0897","0.0531","","0.1035","0.0571","0.052","","","","","","1.0998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082194","10.8924","0.0004","11.4025","0.0004","18.6552","0.0006","72.928","0.003","79.432","0.003","68.018","0.003","2046.8","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","Cp*Ti{PhC(NiPr)2}{OC(NOtBu)N(Tol)C(NTol)O}","","- C43 H57 N5 O3 Ti -","- C43 H57 N5 O3 Ti -","- C86 H114 N10 O6 Ti2 -","2","1","","Groom, Laura R.; Schwarz, Andrew D.; Nova, Ainara; Clot, Eric; Mountford, Philip","Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titaniumtert-Butoxyimido Compound","Organometallics","2013","32","24","7520","","10.1021/om401008a","","","1.54184","CuKα","","0.0468","0.0413","","0.0465","0.0438","0.0431","","","","","","1.0661","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082195","32.088","0.006","10.816","0.002","26.575","0.005","90","","110.75","0.03","90","","8625","3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cp*Ti{PhC(NiPr)2}(mu-O)]2","","- C46 H68 N4 O2 Ti2 -","- C46 H68 N4 O2 Ti2 -","- C368 H544 N32 O16 Ti16 -","8","2","","Groom, Laura R.; Schwarz, Andrew D.; Nova, Ainara; Clot, Eric; Mountford, Philip","Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titaniumtert-Butoxyimido Compound","Organometallics","2013","32","24","7520","","10.1021/om401008a","","","0.71073","MoKα","","0.0837","0.0524","","0.0867","0.0599","0.0564","","","","","","1.0811","","","","has coordinates","178710","2020-10-21","18:00:00",""
"4082196","8.46178","0.00011","10.8796","0.00015","15.6091","0.0002","90","","90","","90","","1436.99","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","PhC(NOtBu)Ph","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Groom, Laura R.; Schwarz, Andrew D.; Nova, Ainara; Clot, Eric; Mountford, Philip","Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titaniumtert-Butoxyimido Compound","Organometallics","2013","32","24","7520","","10.1021/om401008a","","","1.54184","CuKα","","0.031","0.0301","","0.0329","0.0323","0.0322","","","","","","0.9227","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082197","10.6906","0.001","11.8098","0.0011","13.8987","0.0015","96.244","0.004","93.745","0.004","98.297","0.005","1720.2","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","C5Me5Ti{PhC(NiPr)2}{NC(ArF)N(OtBu)}","","- C34 H43 F5 N4 O Ti -","- C34 H43 F5 N4 O Ti -","- C68 H86 F10 N8 O2 Ti2 -","2","1","","Groom, Laura R.; Schwarz, Andrew D.; Nova, Ainara; Clot, Eric; Mountford, Philip","Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titaniumtert-Butoxyimido Compound","Organometallics","2013","32","24","7520","","10.1021/om401008a","","","0.71073","MoKα","","0.1191","0.0836","","0.1024","0.0732","0.0732","","","","","","1.1125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082198","12.6244","0.0001","18.3472","0.0002","20.5455","0.0002","90","","97.6073","0.0004","90","","4716.91","0.08","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Cp*Ti{PhC(NiPr)2}{N(C(C6F5)NOtBu)C(C6F5)NC(C6F5)N}","","- C48 H43 F15 N6 O Ti -","- C48 H43 F15 N6 O Ti -","- C192 H172 F60 N24 O4 Ti4 -","4","1","","Groom, Laura R.; Schwarz, Andrew D.; Nova, Ainara; Clot, Eric; Mountford, Philip","Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titaniumtert-Butoxyimido Compound","Organometallics","2013","32","24","7520","","10.1021/om401008a","","","0.71073","MoKα","","0.0511","0.0367","","0.0577","0.0446","0.043","","","","","","1.0572","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4082199","9.7572","0.0008","10.1086","0.0007","16.547","0.0011","98.985","0.006","105.885","0.006","95.944","0.006","1532","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","[PhC{N(iPr)H}2][BPh4]","","- C37 H41 B N2 -","- C37 H41 B N2 -","- C74 H82 B2 N4 -","2","1","","Groom, Laura R.; Schwarz, Andrew D.; Nova, Ainara; Clot, Eric; Mountford, Philip","Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titaniumtert-Butoxyimido Compound","Organometallics","2013","32","24","7520","","10.1021/om401008a","","","1.5418","CuKα","","0.0843","0.0581","","0.0314","0.0284","0.0284","","","","","","1.1459","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082200","13.2439","0.0002","13.8026","0.0003","24.0023","0.0003","90","","97.7434","0.0015","90","","4347.62","0.13","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Cp*Ti{PhC(NiPr)2}{h2-ON(H)B(C6F5)3}","","- C47 H41 B F15 N3 O Ti -","- C47 H41 B F15 N3 O Ti -","- C188 H164 B4 F60 N12 O4 Ti4 -","4","1","","Groom, Laura R.; Schwarz, Andrew D.; Nova, Ainara; Clot, Eric; Mountford, Philip","Synthesis and Reactions of a Cyclopentadienyl-Amidinate Titaniumtert-Butoxyimido Compound","Organometallics","2013","32","24","7520","","10.1021/om401008a","","","1.5418","CuKα","","0.0388","0.0341","","0.0327","0.0305","0.0298","","","","","","1.0518","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082201","9.2034","0.0002","14.6713","0.0002","16.482","0.0003","90","","101.35","","90","","2181.97","0.07","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 Au2 O8 P2 Re2 -","- C44 H30 Au2 O8 P2 Re2 -","- C88 H60 Au4 O16 P4 Re4 -","2","0.5","","Adams, Richard D.; Wong, Yuen Onn; Zhang, Qiang","Studies of the Structures and Bonding of Gold-Bridged Dirhenium Carbonyl Cluster Complexes","Organometallics","2013","32","24","7540","","10.1021/om4010127","","","0.71073","MoKα","","0.0223","0.0192","","","0.0434","0.0449","","","","","","1.078","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082202","13.8222","0.0007","26.6145","0.0013","11.1011","0.0005","90","","103.976","0.001","90","","3962.9","0.3","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 O8 P2 Re2 -","- C44 H30 O8 P2 Re2 -","- C176 H120 O32 P8 Re8 -","4","0.5","","Adams, Richard D.; Wong, Yuen Onn; Zhang, Qiang","Studies of the Structures and Bonding of Gold-Bridged Dirhenium Carbonyl Cluster Complexes","Organometallics","2013","32","24","7540","","10.1021/om4010127","","","0.71073","MoKα","","0.0231","0.0197","","","0.0472","0.0496","","","","","","1.027","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082203","9.247","0.0011","12.3807","0.0015","14.8091","0.0017","68.142","0.002","79.951","0.002","70.977","0.002","1484.9","0.3","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H15 Au I O8 P Re2 -","- C26 H15 Au I O8 P Re2 -","- C52 H30 Au2 I2 O16 P2 Re4 -","2","1","","Adams, Richard D.; Wong, Yuen Onn; Zhang, Qiang","Studies of the Structures and Bonding of Gold-Bridged Dirhenium Carbonyl Cluster Complexes","Organometallics","2013","32","24","7540","","10.1021/om4010127","","","0.71073","MoKα","","0.0296","0.0265","","","0.0697","0.0719","","","","","","1.087","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082204","7.9095","0.0018","9.187","0.002","9.5","0.002","115.511","0.005","95.466","0.005","98.526","0.005","606.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 F8 N2 Zn -","- C8 H6 F8 N2 Zn -","- C16 H12 F16 N4 Zn2 -","2","1","","Kaplan, Peter T.; Xu, Long; Chen, Bo; McGarry, Katherine R.; Yu, Siqi; Wang, Huan; Vicic, David A.","Mild, Safe, and Versatile Reagents for (CF2)nTransfer and the Construction of Fluoroalkyl-Containing Rings","Organometallics","2013","32","24","7552","","10.1021/om401016k","","","0.71073","MoKα","","0.0572","0.043","","","0.0802","0.0856","","","","","","1.086","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082205","16.4914","0.0019","8.3476","0.0009","19.403","0.002","90","","109.464","0.003","90","","2518.4","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 F12 N4 Zn2 -","- C20 H18 F12 N4 Zn2 -","- C80 H72 F48 N16 Zn8 -","4","0.5","","Kaplan, Peter T.; Xu, Long; Chen, Bo; McGarry, Katherine R.; Yu, Siqi; Wang, Huan; Vicic, David A.","Mild, Safe, and Versatile Reagents for (CF2)nTransfer and the Construction of Fluoroalkyl-Containing Rings","Organometallics","2013","32","24","7552","","10.1021/om401016k","","","0.71073","MoKα","","0.0241","0.0209","","","0.0547","0.0565","","","","","","1.075","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082206","13.142","0.003","10.518","0.002","17.372","0.003","90","","90","","90","","2401.3","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 F8 N2 Ni -","- C8 H6 F8 N2 Ni -","- C64 H48 F64 N16 Ni8 -","8","1","","Kaplan, Peter T.; Xu, Long; Chen, Bo; McGarry, Katherine R.; Yu, Siqi; Wang, Huan; Vicic, David A.","Mild, Safe, and Versatile Reagents for (CF2)nTransfer and the Construction of Fluoroalkyl-Containing Rings","Organometallics","2013","32","24","7552","","10.1021/om401016k","","","0.71073","MoKα","","0.0741","0.0623","","","0.1248","0.1307","","","","","","1.204","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082207","12.5251","0.0013","18.1135","0.0019","17.4435","0.0018","90","","94.938","0.002","90","","3942.8","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Cu2 F16 N6 O6 Zn -","- C26 H42 Cu2 F16 N6 O6 Zn -","- C104 H168 Cu8 F64 N24 O24 Zn4 -","4","1","","Kaplan, Peter T.; Xu, Long; Chen, Bo; McGarry, Katherine R.; Yu, Siqi; Wang, Huan; Vicic, David A.","Mild, Safe, and Versatile Reagents for (CF2)nTransfer and the Construction of Fluoroalkyl-Containing Rings","Organometallics","2013","32","24","7552","","10.1021/om401016k","","","0.71073","MoKα","","0.0326","0.0309","","","0.0841","0.0863","","","","","","1.092","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082208","7.7462","0.0017","17.523","0.004","15.835","0.003","90","","93.792","0.005","90","","2144.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F8 N2 Ni -","- C22 H18 F8 N2 Ni -","- C88 H72 F32 N8 Ni4 -","4","1","","Kaplan, Peter T.; Xu, Long; Chen, Bo; McGarry, Katherine R.; Yu, Siqi; Wang, Huan; Vicic, David A.","Mild, Safe, and Versatile Reagents for (CF2)nTransfer and the Construction of Fluoroalkyl-Containing Rings","Organometallics","2013","32","24","7552","","10.1021/om401016k","","","0.71073","MoKα","","0.0743","0.0657","","","0.1715","0.1779","","","","","","1.215","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082209","14.8632","0.0018","10.1182","0.0013","6.5713","0.0008","90","","92.484","0.002","90","","987.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 F12 I2 -","- C18 H8 F12 I2 -","- C36 H16 F24 I4 -","2","0.5","","Kaplan, Peter T.; Xu, Long; Chen, Bo; McGarry, Katherine R.; Yu, Siqi; Wang, Huan; Vicic, David A.","Mild, Safe, and Versatile Reagents for (CF2)nTransfer and the Construction of Fluoroalkyl-Containing Rings","Organometallics","2013","32","24","7552","","10.1021/om401016k","","","0.71073","MoKα","","0.0178","0.0171","","","0.0427","0.0434","","","","","","1.165","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082210","7.5726","0.0007","29.691","0.003","5.6935","0.0005","90","","90","","90","","1280.1","0.2","100","2","100","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C30 H18 F12 -","- C30 H18 F12 -","- C60 H36 F24 -","2","0.5","","Kaplan, Peter T.; Xu, Long; Chen, Bo; McGarry, Katherine R.; Yu, Siqi; Wang, Huan; Vicic, David A.","Mild, Safe, and Versatile Reagents for (CF2)nTransfer and the Construction of Fluoroalkyl-Containing Rings","Organometallics","2013","32","24","7552","","10.1021/om401016k","","","0.71073","MoKα","","0.0375","0.0341","","","0.0826","0.0848","","","","","","1.098","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082211","8.6914","0.0017","26.637","0.005","15.858","0.003","90","","101.26","0.004","90","","3600.7","1.2","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Fe N4 -","- C42 H46 Fe N4 -","- C168 H184 Fe4 N16 -","4","0.5","","Ouyang, Zhenwu; Deng, Liang","Iron(II) Complexes Featuring Bidentate N-Heterocyclic Carbene‒Silyl Ligands: Synthesis and Characterization","Organometallics","2013","32","24","7268","","10.1021/om4010274","","","0.71073","MoKα","","0.0592","0.0407","","","0.1033","0.1123","","","","","","1.07","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082212","16.4326","0.0018","11.0713","0.0012","24.504","0.003","90","","107.507","0.002","90","","4251.5","0.8","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H54 Fe N4 Si -","- C49 H54 Fe N4 Si -","- C196 H216 Fe4 N16 Si4 -","4","1","","Ouyang, Zhenwu; Deng, Liang","Iron(II) Complexes Featuring Bidentate N-Heterocyclic Carbene‒Silyl Ligands: Synthesis and Characterization","Organometallics","2013","32","24","7268","","10.1021/om4010274","","","0.71073","MoKα","","0.1003","0.0501","","","0.1187","0.1416","","","","","","1.001","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082213","10.8858","0.0016","26.122","0.004","16.588","0.003","90","","105.132","0.003","90","","4553.4","1.3","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H56 Fe N4 Si -","- C54 H56 Fe N4 Si -","- C216 H224 Fe4 N16 Si4 -","4","1","","Ouyang, Zhenwu; Deng, Liang","Iron(II) Complexes Featuring Bidentate N-Heterocyclic Carbene‒Silyl Ligands: Synthesis and Characterization","Organometallics","2013","32","24","7268","","10.1021/om4010274","","","0.71073","MoKα","","0.1154","0.0674","","","0.1726","0.2075","","","","","","1.03","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082214","12.1588","0.001","12.6035","0.001","18.1256","0.0013","96.546","0.002","107.72","0.002","109.278","0.002","2425.4","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H52 N2 O12 Os3 Pd -","- C45 H52 N2 O12 Os3 Pd -","- C90 H104 N4 O24 Os6 Pd2 -","2","1","","Liu, Yu; Ganguly, Rakesh; Huynh, Han Vinh; Leong, Weng Kee","Palladium‒Osmium Heterometallic Clusters Containing N-Heterocyclic Carbene Ligands","Organometallics","2013","32","24","7559","","10.1021/om401031h","","","0.71073","MoKα","","0.0341","0.0271","","","0.0649","0.0687","","","","","","1.071","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082215","12.1539","0.0011","12.5963","0.0008","18.4294","0.0014","96.941","0.003","108.704","0.002","109.399","0.002","2437.7","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H43 N2 O12 Os3 Pd -","- C42 H43 N2 O12 Os3 Pd -","- C84 H86 N4 O24 Os6 Pd2 -","2","1","","Liu, Yu; Ganguly, Rakesh; Huynh, Han Vinh; Leong, Weng Kee","Palladium‒Osmium Heterometallic Clusters Containing N-Heterocyclic Carbene Ligands","Organometallics","2013","32","24","7559","","10.1021/om401031h","","","0.71073","MoKα","","0.0628","0.0436","","","0.1292","0.1515","","","","","","1.134","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082216","19.171","0.0007","19.3304","0.0005","19.6561","0.0007","90","","112.493","0.001","90","","6730.1","0.4","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H76 N4 O12 Os3 Pd2 -","- C66 H76 N4 O12 Os3 Pd2 -","- C264 H304 N16 O48 Os12 Pd8 -","4","1","","Liu, Yu; Ganguly, Rakesh; Huynh, Han Vinh; Leong, Weng Kee","Palladium‒Osmium Heterometallic Clusters Containing N-Heterocyclic Carbene Ligands","Organometallics","2013","32","24","7559","","10.1021/om401031h","","","0.71073","MoKα","","0.0713","0.0425","","","0.0975","0.1234","","","","","","1.052","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082217","19.8497","0.0009","20.6112","0.0009","33.6302","0.0016","90","","90","","90","","13759","1.1","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C66 H72 N4 O12 Os3 Pd2 -","- C66 H72 N4 O12 Os3 Pd2 -","- C528 H576 N32 O96 Os24 Pd16 -","8","2","","Liu, Yu; Ganguly, Rakesh; Huynh, Han Vinh; Leong, Weng Kee","Palladium‒Osmium Heterometallic Clusters Containing N-Heterocyclic Carbene Ligands","Organometallics","2013","32","24","7559","","10.1021/om401031h","","","0.71073","MoKα","","0.0701","0.0456","","","0.1057","0.128","","","","","","1.101","","","","has coordinates,has disorder","178711","2020-10-21","18:00:00",""
"4082218","16.5278","0.0019","12.1286","0.0015","46.099","0.005","90","","92.759","0.002","90","","9230.3","1.9","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C93 H114 N6 O12 Os3 Pd3 -","- C93 H114 N6 O12 Os3 Pd3 -","- C372 H456 N24 O48 Os12 Pd12 -","4","1","","Liu, Yu; Ganguly, Rakesh; Huynh, Han Vinh; Leong, Weng Kee","Palladium‒Osmium Heterometallic Clusters Containing N-Heterocyclic Carbene Ligands","Organometallics","2013","32","24","7559","","10.1021/om401031h","","","0.71073","MoKα","","0.0911","0.0676","","","0.1374","0.1507","","","","","","1.264","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082219","25.8167","0.0015","25.8167","0.0015","28.941","0.002","90","","90","","90","","19289","2","103","2","103","2","","","","","","","","6","I -4","I -4","82","","","","- C94.5 H111.5 N6 O12 Os3 Pd3 -","- C94.5 H111.5 N6 O12 Os3 Pd3 -","- C756 H892 N48 O96 Os24 Pd24 -","8","1","","Liu, Yu; Ganguly, Rakesh; Huynh, Han Vinh; Leong, Weng Kee","Palladium‒Osmium Heterometallic Clusters Containing N-Heterocyclic Carbene Ligands","Organometallics","2013","32","24","7559","","10.1021/om401031h","","","0.71073","MoKα","","0.0832","0.0447","","","0.0983","0.1278","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082220","16.203","0.002","10.5992","0.0013","23.73","0.003","90","","98.423","0.007","90","","4031.4","0.9","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 Br Cl2 N3 O4 Pd -","- C43 H40 Br Cl2 N3 O4 Pd -","- C172 H160 Br4 Cl8 N12 O16 Pd4 -","4","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Insertion Reactions of Six-Membered CyclopalladatedN,N′,N″-Triarylguanidine, [Pd{κ2(C,N)-C6H3Me-3(NHC(NHAr)(═NAr))-2}(μ-Br)]2(Ar = 2-MeC6H4) with PhC≡C—C(O)OR (R = Me and Et): A Gateway to Second Orthopalladation through Novel Rearrangements","Organometallics","2013","32","24","7580","","10.1021/om4010719","","","0.71073","MoKα","","0.0457","0.0376","","","0.1084","0.1184","","","","","","1.141","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082221","15.656","0.005","12.866","0.005","26.106","0.004","90","","94.479","0.005","90","","5242","3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H52 Br Cl4 N3 O7 Pd -","- C54 H48 Br Cl4 N3 O7 Pd -","- C216 H192 Br4 Cl16 N12 O28 Pd4 -","4","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Insertion Reactions of Six-Membered CyclopalladatedN,N′,N″-Triarylguanidine, [Pd{κ2(C,N)-C6H3Me-3(NHC(NHAr)(═NAr))-2}(μ-Br)]2(Ar = 2-MeC6H4) with PhC≡C—C(O)OR (R = Me and Et): A Gateway to Second Orthopalladation through Novel Rearrangements","Organometallics","2013","32","24","7580","","10.1021/om4010719","","","0.71073","MoKα","","0.1247","0.071","","","0.1975","0.2323","","","","","","1.054","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082222","15.952","0.0004","13.3754","0.0004","26.6193","0.0008","90","","96.871","0.003","90","","5638.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H60 Br N3 O6 Pd -","- C62 H42 Br N3 O6 Pd -","- C248 H168 Br4 N12 O24 Pd4 -","4","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Insertion Reactions of Six-Membered CyclopalladatedN,N′,N″-Triarylguanidine, [Pd{κ2(C,N)-C6H3Me-3(NHC(NHAr)(═NAr))-2}(μ-Br)]2(Ar = 2-MeC6H4) with PhC≡C—C(O)OR (R = Me and Et): A Gateway to Second Orthopalladation through Novel Rearrangements","Organometallics","2013","32","24","7580","","10.1021/om4010719","","","0.71073","MoKα","","0.0678","0.0556","","","0.1499","0.1594","","","","","","1.069","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082223","10.845","0.005","32.09","0.005","13.983","0.006","90","","92.981","0.005","90","","4860","3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H52 Br N3 O6 Pd -","- C55 H37 Br N3 O6 Pd -","- C220 H148 Br4 N12 O24 Pd4 -","4","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Insertion Reactions of Six-Membered CyclopalladatedN,N′,N″-Triarylguanidine, [Pd{κ2(C,N)-C6H3Me-3(NHC(NHAr)(═NAr))-2}(μ-Br)]2(Ar = 2-MeC6H4) with PhC≡C—C(O)OR (R = Me and Et): A Gateway to Second Orthopalladation through Novel Rearrangements","Organometallics","2013","32","24","7580","","10.1021/om4010719","","","0.71073","MoKα","","0.0524","0.043","","","0.1066","0.111","","","","","","1.113","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082224","10.0667","0.0003","11.8512","0.0004","19.4506","0.0006","85.454","0.003","85.453","0.003","80.475","0.004","2276.14","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 Br N3 O6 Pd -","- C52 H43 Br N3 O6 Pd -","- C104 H86 Br2 N6 O12 Pd2 -","2","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Insertion Reactions of Six-Membered CyclopalladatedN,N′,N″-Triarylguanidine, [Pd{κ2(C,N)-C6H3Me-3(NHC(NHAr)(═NAr))-2}(μ-Br)]2(Ar = 2-MeC6H4) with PhC≡C—C(O)OR (R = Me and Et): A Gateway to Second Orthopalladation through Novel Rearrangements","Organometallics","2013","32","24","7580","","10.1021/om4010719","","","0.71073","MoKα","","0.0479","0.0398","","","0.1005","0.1054","","","","","","1.018","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082225","11.1066","0.0004","12.5652","0.0005","17.5018","0.0005","94.101","0.003","100.61","0.004","101.824","0.003","2334.6","0.15","116","2","116","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H52 Br N3 O6 Pd -","- C55 H52 Br N3 O6 Pd -","- C110 H104 Br2 N6 O12 Pd2 -","2","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Insertion Reactions of Six-Membered CyclopalladatedN,N′,N″-Triarylguanidine, [Pd{κ2(C,N)-C6H3Me-3(NHC(NHAr)(═NAr))-2}(μ-Br)]2(Ar = 2-MeC6H4) with PhC≡C—C(O)OR (R = Me and Et): A Gateway to Second Orthopalladation through Novel Rearrangements","Organometallics","2013","32","24","7580","","10.1021/om4010719","","","0.71073","MoKα","","0.0402","0.0319","","","0.0759","0.079","","","","","","1.028","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082226","13.5054","0.0005","14.2285","0.0005","28.8166","0.0014","90","","92.806","0.004","90","","5530.8","0.4","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H50 Cl2 F3 N3 O10 Pd S -","- C54 H46 Cl2 F3 N3 O10 Pd S -","- C216 H184 Cl8 F12 N12 O40 Pd4 S4 -","4","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Insertion Reactions of Six-Membered CyclopalladatedN,N′,N″-Triarylguanidine, [Pd{κ2(C,N)-C6H3Me-3(NHC(NHAr)(═NAr))-2}(μ-Br)]2(Ar = 2-MeC6H4) with PhC≡C—C(O)OR (R = Me and Et): A Gateway to Second Orthopalladation through Novel Rearrangements","Organometallics","2013","32","24","7580","","10.1021/om4010719","","","0.71073","MoKα","","0.0794","0.074","","","0.2002","0.2045","","","","","","1.1","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082227","15.5705","0.0005","16.5957","0.0005","21.0323","0.0006","108.216","0.004","90.186","0.003","93.039","0.003","5154.1","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C106 H92 F6 N6 O18 Pd2 S2 -","- C106 H89 F6 N6 O18 Pd2 S2 -","- C212 H178 F12 N12 O36 Pd4 S4 -","2","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Insertion Reactions of Six-Membered CyclopalladatedN,N′,N″-Triarylguanidine, [Pd{κ2(C,N)-C6H3Me-3(NHC(NHAr)(═NAr))-2}(μ-Br)]2(Ar = 2-MeC6H4) with PhC≡C—C(O)OR (R = Me and Et): A Gateway to Second Orthopalladation through Novel Rearrangements","Organometallics","2013","32","24","7580","","10.1021/om4010719","","","0.71073","MoKα","","0.0693","0.0558","","","0.1351","0.1434","","","","","","1.106","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082228","10.3175","0.0003","14.3191","0.0005","20.0908","0.0006","91.194","0.002","99.266","0.003","101.578","0.003","2865.48","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H68 F3 N3 O9 Pd S -","- C63 H52 F3 N3 O9 Pd S -","- C126 H104 F6 N6 O18 Pd2 S2 -","2","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Insertion Reactions of Six-Membered CyclopalladatedN,N′,N″-Triarylguanidine, [Pd{κ2(C,N)-C6H3Me-3(NHC(NHAr)(═NAr))-2}(μ-Br)]2(Ar = 2-MeC6H4) with PhC≡C—C(O)OR (R = Me and Et): A Gateway to Second Orthopalladation through Novel Rearrangements","Organometallics","2013","32","24","7580","","10.1021/om4010719","","","0.71073","MoKα","","0.078","0.0506","","","0.1166","0.1241","","","","","","0.979","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082229","30.8293","0.0017","12.9042","0.0005","26.2493","0.0016","90","","94.289","0.005","90","","10413.4","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H49 D3 N4 O8 Pd -","- C54 H48 N4 O8 Pd -","- C432 H384 N32 O64 Pd8 -","8","1","","Saxena, Priya; Thirupathi, Natesan; Nethaji, Munirathinam","Insertion Reactions of Six-Membered CyclopalladatedN,N′,N″-Triarylguanidine, [Pd{κ2(C,N)-C6H3Me-3(NHC(NHAr)(═NAr))-2}(μ-Br)]2(Ar = 2-MeC6H4) with PhC≡C—C(O)OR (R = Me and Et): A Gateway to Second Orthopalladation through Novel Rearrangements","Organometallics","2013","32","24","7580","","10.1021/om4010719","","","0.71073","MoKα","","0.0877","0.0769","","","0.1883","0.1952","","","","","","1.211","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082230","8.0781","0.0002","9.0667","0.0002","14.8527","0.0004","72.687","0.001","84.404","0.001","82.763","0.002","1028.21","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N O5 S -","- C24 H23 N O5 S -","- C48 H46 N2 O10 S2 -","2","1","","Chen, Wenyong; Sana, Kasinath; Jiang, Yi; Meyer, Esmerelda V. S.; Lapp, Stacey; Galinski, Mary R.; Liebeskind, Lanny S.","Regio- and Stereospecific Uncatalyzed Reactions of Electron-Rich Arenes and Olefins at Organomolybdenum Enantiomeric Scaffolds","Organometallics","2013","32","24","7594","","10.1021/om401087h","","","1.54178","CuKα","","0.0406","0.0369","","","0.1005","0.1052","","","","","","1.027","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082231","7.7695","0.0012","10.6902","0.0016","22.339","0.003","89.222","0.002","81.538","0.002","82.824","0.002","1820.8","0.5","173.2","0.2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 B Mo N9 O7 -","- C36 H38 B Mo N9 O7 -","- C72 H76 B2 Mo2 N18 O14 -","2","1","","Chen, Wenyong; Sana, Kasinath; Jiang, Yi; Meyer, Esmerelda V. S.; Lapp, Stacey; Galinski, Mary R.; Liebeskind, Lanny S.","Regio- and Stereospecific Uncatalyzed Reactions of Electron-Rich Arenes and Olefins at Organomolybdenum Enantiomeric Scaffolds","Organometallics","2013","32","24","7594","","10.1021/om401087h","","","0.71073","MOKα","","0.0505","0.0443","","","0.1029","0.1055","","","","","","1.129","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082232","13.934","0.002","11.833","0.0018","8.6474","0.0014","90","","107.603","0.003","90","","1359","0.4","173","2","173.18","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O3 -","- C16 H16 N2 O3 -","- C64 H64 N8 O12 -","4","1","","Chen, Wenyong; Sana, Kasinath; Jiang, Yi; Meyer, Esmerelda V. S.; Lapp, Stacey; Galinski, Mary R.; Liebeskind, Lanny S.","Regio- and Stereospecific Uncatalyzed Reactions of Electron-Rich Arenes and Olefins at Organomolybdenum Enantiomeric Scaffolds","Organometallics","2013","32","24","7594","","10.1021/om401087h","","","0.71073","MOKα","","0.0949","0.0594","","","0.1622","0.1853","","","","","","1.045","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082233","11.8102","0.0004","13.082","0.0004","13.9126","0.0004","114.355","0.002","95.332","0.002","103.045","0.002","1865.32","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H33 Cl6 Fe N4 -","- C36 H33 Cl6 Fe N4 -","- C72 H66 Cl12 Fe2 N8 -","2","1","","Ryu, Ji Yeon; Lee, Ji Min; Park, Yu Jin; Nghia, Nguyen Van; Lee, Min Hyung; Lee, Junseong","A Ruthenium‒Iron Bimetallic Supramolecular Cage withD4Symmetry from a Tetrapyridyl Iron(I) Metalloligand","Organometallics","2013","32","24","7272","","10.1021/om401145s","","","0.71073","MoKα","","0.1012","0.0607","","","0.1621","0.182","","","","","","1.002","","","","has coordinates,has disorder","178711","2020-10-21","18:00:00",""
"4082234","25.1459","0.0006","25.1199","0.0006","30.3639","0.0008","90","","90.075","0.002","90","","19179.7","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C124 F24 Fe2 N8 O40 Ru8 S8 -","- C147 F24 Fe2 N8 O39 Ru8 S8 -","- C588 F96 Fe8 N32 O156 Ru32 S32 -","4","1","","Ryu, Ji Yeon; Lee, Ji Min; Park, Yu Jin; Nghia, Nguyen Van; Lee, Min Hyung; Lee, Junseong","A Ruthenium‒Iron Bimetallic Supramolecular Cage withD4Symmetry from a Tetrapyridyl Iron(I) Metalloligand","Organometallics","2013","32","24","7272","","10.1021/om401145s","","","0.71073","MoKα","","0.3334","0.2263","","","0.5499","0.6117","","","","","","2.217","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4089383","11.003","0.006","11.426","0.005","13.698","0.006","97.76","0.03","109.15","0.03","112.01","0.03","1441.3","1.3","105","2","105","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H31 Br N O2 P Pd -","- C31 H31 Br N O2 P Pd -","- C62 H62 Br2 N2 O4 P2 Pd2 -","2","1","","Albert, Joan; Ariza, Xavier; Calvet, Teresa; Font-Bardia, Mercé; Garcia, Jordi; Granell, Jaume; Lamela, Andrea; López, Blanca; Martinez, Manuel; Ortega, Laura; Rodriguez, Aleix; Santos, David","NH2 As a Directing Group: From the Cyclopalladation of Amino Esters to the Preparation of Benzolactams by Palladium(II)-Catalyzed Carbonylation of N-Unprotected Arylethylamines","Organometallics","2013","32","2","649","","10.1021/om301140t","","","0.71073","MoKα","","0.0867","0.066","","","0.1894","0.2063","","","","","","1.05","","","","has coordinates","243626","2020-10-21","18:00:00",""
"4089384","19.3493","0.001","15.3733","0.0007","22.8019","0.0011","90","","90","","90","","6782.7","0.6","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H45 N3 -","- C38 H45 N3 -","- C304 H360 N24 -","8","1","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.7107","MoKα","","0.0962","0.055","","","0.1267","0.1535","","","","","","1.019","","","","has coordinates","243627","2020-10-21","18:00:00",""
"4089385","18.0797","0.0005","12.3983","0.0003","31.9357","0.0008","90","","99.702","0.002","90","","7056.2","0.3","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C40 H50 Al N3 -","- C40 H50 Al N3 -","- C320 H400 Al8 N24 -","8","2","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.71073","MoKα","","0.1396","0.0712","","","0.1202","0.1464","","","","","","1.016","","","","has coordinates,has disorder","243627","2020-10-21","18:00:00",""
"4089386","18.0597","0.0005","12.3654","0.0004","31.8609","0.0011","90","","99.66","0.004","90","","7014.1","0.4","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C39 H47 Al Cl N3 -","- C39 H47 Al Cl N3 -","- C312 H376 Al8 Cl8 N24 -","8","2","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.7107","MoKα","","0.1155","0.0629","","","0.1498","0.1666","","","","","","1.049","","","","has coordinates","243627","2020-10-21","18:00:00",""
"4089387","17.6393","0.0003","21.589","0.0004","10.3737","0.0002","90","","90","","90","","3950.46","0.13","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C43 H59 Al2 N3 -","- C43 H60 Al2 N3 -","- C172 H240 Al8 N12 -","4","0.5","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.71073","MoKα","","0.0818","0.0462","","","0.1121","0.1185","","","","","","0.918","","","","has coordinates","243627","2020-10-21","18:00:00",""
"4089388","17.1427","0.0004","22.4342","0.0006","22.7189","0.0005","116.52","0.002","92.559","0.002","95.229","0.002","7749.6","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H107 Li2 N6 O2 -","- C84 H107 Li2 N6 O2 -","- C336 H428 Li8 N24 O8 -","4","2","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.71073","MoKα","","0.122","0.0707","","","0.1909","0.2323","","","","","","1.029","","","","has coordinates,has disorder","243627","2020-10-21","18:00:00",""
"4089389","10.8838","0.0007","18.2643","0.0012","22.5281","0.0013","90","","90","","90","","4478.2","0.5","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H68 Li N3 O3 -","- C50 H68 Li N3 O3 -","- C200 H272 Li4 N12 O12 -","4","1","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.71073","MoKα","","0.1127","0.0574","","","0.0788","0.0967","","","","","","0.963","","","","has coordinates","243627","2020-10-21","18:00:00",""
"4089390","7.3638","0.0002","12.4212","0.0004","19.5492","0.0006","95.211","0.002","99.89","0.003","90.818","0.002","1753.44","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 Al N5 -","- C20 H18 Al N5 -","- C80 H72 Al4 N20 -","4","2","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.71073","MoKα","","0.0736","0.05","","","0.1258","0.1336","","","","","","1.033","","","","has coordinates","243627","2020-10-21","18:00:00",""
"4089391","15.2739","0.0004","7.1736","0.0002","16.4259","0.0004","90","","101.423","0.002","90","","1764.12","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Al Cl N5 -","- C19 H15 Al Cl N5 -","- C76 H60 Al4 Cl4 N20 -","4","1","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.71073","MoKα","","0.0579","0.0525","","","0.1552","0.1599","","","","","","1.091","","","","has coordinates,has disorder","243627","2020-10-21","18:00:00",""
"4089392","21.0954","0.0003","21.0954","0.0003","21.0954","0.0003","90","","90","","90","","9387.8","0.2","150","2","150","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C48 H60 Al4 O6 -","- C48 H60 Al4 O6 -","- C384 H480 Al32 O48 -","8","0.333333","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.71073","MoKα","","0.1277","0.0667","","","0.1587","0.192","","","","","","1.029","","","","has coordinates,has disorder","243627","2020-10-21","18:00:00",""
"4089393","10.0275","0.0015","22.402","0.003","15.393","0.003","90","","98.77","0.02","90","","3417.4","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H46 Cl N3 -","- C38 H46 Cl N3 -","- C152 H184 Cl4 N12 -","4","1","","Bakthavachalam, K.; Reddy, N. Dastagiri","Synthesis of Aluminum Complexes of Triaza Framework Ligands and Their Catalytic Activity toward Polymerization of ε-Caprolactone","Organometallics","2013","32","11","3174","","10.1021/om3011432","","","0.71073","MoKα","","0.1969","0.0916","","","0.2056","0.273","","","","","","0.975","","","","has coordinates","243627","2020-10-21","18:00:00",""
"4089394","27.044","0.018","13.419","0.011","14.765","0.013","90","","118.54","0.04","90","","4707","7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H31 Cl Fe O2 Si Sn -","- C18 H31 Cl Fe O2 Si Sn -","- C144 H248 Cl8 Fe8 O16 Si8 Sn8 -","8","1","","Sharma, Hemant K.; Metta-Magaña, Alejandro J.; Pannell, Keith H.","Reactions of an Iron Chlorodistannane with Hydroxide: Isolation and Structural Characterization of {(η5-Me3SiC5H4)Fe(CO)[(SntBu2)2(μ-OH)]···DMAP}, DMAP = 4-(N,N-Dimethylamino)pyridine, a μ-OH-Stannyl(stannylene)‒Iron Complex","Organometallics","2013","32","21","6218","","10.1021/om3012129","","","0.71073","MoKα","","0.1087","0.0517","","","0.1257","0.1744","","","","","","0.886","","","","has coordinates","243628","2020-10-21","18:00:00",""
"4089395","12.873","0.002","12.877","0.002","15.636","0.003","78.988","0.002","73.602","0.002","67.163","0.002","2281.8","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H61 Cl Fe2 O4 Si2 Sn2 -","- C36 H61 Cl Fe2 O4 Si2 Sn2 -","- C72 H122 Cl2 Fe4 O8 Si4 Sn4 -","2","1","","Sharma, Hemant K.; Metta-Magaña, Alejandro J.; Pannell, Keith H.","Reactions of an Iron Chlorodistannane with Hydroxide: Isolation and Structural Characterization of {(η5-Me3SiC5H4)Fe(CO)[(SntBu2)2(μ-OH)]···DMAP}, DMAP = 4-(N,N-Dimethylamino)pyridine, a μ-OH-Stannyl(stannylene)‒Iron Complex","Organometallics","2013","32","21","6218","","10.1021/om3012129","","","0.71073","MoKα","","0.0988","0.0555","","","0.1387","0.1762","","","","","","0.97","","","","has coordinates","243629","2020-10-21","18:00:00",""
"4089396","17.063","0.002","13.201","0.0018","33.212","0.004","90","","115.207","0.005","90","","6768.6","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H49 Cl Fe O2 Si Sn2 -","- C26 H49 Cl Fe O2 Si Sn2 -","- C208 H392 Cl8 Fe8 O16 Si8 Sn16 -","8","2","","Sharma, Hemant K.; Metta-Magaña, Alejandro J.; Pannell, Keith H.","Reactions of an Iron Chlorodistannane with Hydroxide: Isolation and Structural Characterization of {(η5-Me3SiC5H4)Fe(CO)[(SntBu2)2(μ-OH)]···DMAP}, DMAP = 4-(N,N-Dimethylamino)pyridine, a μ-OH-Stannyl(stannylene)‒Iron Complex","Organometallics","2013","32","21","6218","","10.1021/om3012129","","","0.71073","MoKα","","0.1014","0.0425","","","0.1128","0.1641","","","","","","0.894","","","","has coordinates","243630","2020-10-21","18:00:00",""
"4089397","9.812","0.0011","11.7799","0.0017","18.284","0.002","93.114","0.002","100.116","0.002","114.472","0.002","1874.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(υ^2-Hydroxo)-(carbonyl)-(trimethylsilyl- ν^5-cyclopentadienyl)-tetrakis(t-butyl)- iron-di-tin(ii)","","- C32 H60 Fe N2 O2 Si Sn2 -","- C32 H60 Fe N2 O2 Si Sn2 -","- C64 H120 Fe2 N4 O4 Si2 Sn4 -","2","1","","Sharma, Hemant K.; Metta-Magaña, Alejandro J.; Pannell, Keith H.","Reactions of an Iron Chlorodistannane with Hydroxide: Isolation and Structural Characterization of {(η5-Me3SiC5H4)Fe(CO)[(SntBu2)2(μ-OH)]···DMAP}, DMAP = 4-(N,N-Dimethylamino)pyridine, a μ-OH-Stannyl(stannylene)‒Iron Complex","Organometallics","2013","32","21","6218","","10.1021/om3012129","","","0.71073","MoKα","","0.0207","0.0185","","","0.0837","0.0865","","","","","","0.755","","","","has coordinates","243631","2020-10-21","18:00:00",""
"4089398","12.33","0.002","14.168","0.003","13.012","0.003","90","","102.133","0.003","90","","2222.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Fe O3 Si Sn -","- C18 H32 Fe O3 Si Sn -","- C72 H128 Fe4 O12 Si4 Sn4 -","4","1","","Sharma, Hemant K.; Metta-Magaña, Alejandro J.; Pannell, Keith H.","Reactions of an Iron Chlorodistannane with Hydroxide: Isolation and Structural Characterization of {(η5-Me3SiC5H4)Fe(CO)[(SntBu2)2(μ-OH)]···DMAP}, DMAP = 4-(N,N-Dimethylamino)pyridine, a μ-OH-Stannyl(stannylene)‒Iron Complex","Organometallics","2013","32","21","6218","","10.1021/om3012129","","","0.71073","MoKα","","0.0799","0.0478","","","0.1487","0.1579","","","","","","1.134","","","","has coordinates","243632","2020-10-21","18:00:00",""
"4089399","10.641","0.002","14.472","0.003","16.088","0.003","95.01","0.03","105.61","0.03","109.04","0.03","2213.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H41 Ni P3 Si -","- C40 H41 Ni P3 Si -","- C80 H82 Ni2 P6 Si2 -","2","1","","Wu, Siquan; Li, Xiaoyan; Xiong, Zichang; Xu, Wengang; Lu, Yunqiang; Sun, Hongjian","Synthesis and Reactivity of Silyl Iron, Cobalt, and Nickel Complexes Bearing a [PSiP]-Pincer Ligand via Si‒H Bond Activation","Organometallics","2013","32","11","3227","","10.1021/om400047j","","","0.71073","MoKα","","0.146","0.0919","","","0.228","0.2507","","","","","","0.896","","","","has coordinates","243633","2020-10-21","18:00:00",""
"4089400","16.602","0.003","10.086","0.002","22.554","0.005","90","","98.64","0.03","90","","3733.8","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Cl Ni P3 Si -","- C40 H40 Cl Ni P3 Si -","- C160 H160 Cl4 Ni4 P12 Si4 -","4","1","","Wu, Siquan; Li, Xiaoyan; Xiong, Zichang; Xu, Wengang; Lu, Yunqiang; Sun, Hongjian","Synthesis and Reactivity of Silyl Iron, Cobalt, and Nickel Complexes Bearing a [PSiP]-Pincer Ligand via Si‒H Bond Activation","Organometallics","2013","32","11","3227","","10.1021/om400047j","","","0.71073","MoKα","","0.1498","0.0717","","","0.1727","0.2283","","","","","","0.935","","","","has coordinates","243633","2020-10-21","18:00:00",""
"4089401","16.702","0.003","10.165","0.002","23.057","0.005","90","","99.15","0.03","90","","3864.7","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Br Ni P3 Si -","- C40 H40 Br Ni P3 Si -","- C160 H160 Br4 Ni4 P12 Si4 -","4","1","","Wu, Siquan; Li, Xiaoyan; Xiong, Zichang; Xu, Wengang; Lu, Yunqiang; Sun, Hongjian","Synthesis and Reactivity of Silyl Iron, Cobalt, and Nickel Complexes Bearing a [PSiP]-Pincer Ligand via Si‒H Bond Activation","Organometallics","2013","32","11","3227","","10.1021/om400047j","","","0.71073","MoKα","","0.1286","0.068","","","0.1571","0.1981","","","","","","0.966","","","","has coordinates","243633","2020-10-21","18:00:00",""
"4089402","14.963","0.003","15.194","0.003","18.985","0.004","90","","94.64","0.03","90","","4302.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 I Ni P3 Si -","- C40 H40 I Ni P3 Si -","- C160 H160 I4 Ni4 P12 Si4 -","4","1","","Wu, Siquan; Li, Xiaoyan; Xiong, Zichang; Xu, Wengang; Lu, Yunqiang; Sun, Hongjian","Synthesis and Reactivity of Silyl Iron, Cobalt, and Nickel Complexes Bearing a [PSiP]-Pincer Ligand via Si‒H Bond Activation","Organometallics","2013","32","11","3227","","10.1021/om400047j","","","0.71073","MoKα","","0.0918","0.0591","","","0.1644","0.1903","","","","","","1.031","","","","has coordinates","243633","2020-10-21","18:00:00",""
"4089403","9.198","0.0018","36.396","0.007","10.697","0.002","90","","102.82","0.03","90","","3491.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Ni O2 P2 Si -","- C40 H34 Ni O2 P2 Si -","- C160 H136 Ni4 O8 P8 Si4 -","4","1","","Wu, Siquan; Li, Xiaoyan; Xiong, Zichang; Xu, Wengang; Lu, Yunqiang; Sun, Hongjian","Synthesis and Reactivity of Silyl Iron, Cobalt, and Nickel Complexes Bearing a [PSiP]-Pincer Ligand via Si‒H Bond Activation","Organometallics","2013","32","11","3227","","10.1021/om400047j","","","0.71073","MoKα","","0.1137","0.0687","","","0.1486","0.1701","","","","","","1.112","","","","has coordinates","243633","2020-10-21","18:00:00",""
"4089404","14.55","0.003","14.636","0.003","17.194","0.003","90","","90.56","0.03","90","","3661.4","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 Co I P3 Si -","- C40 H41 Co I P3 Si -","- C160 H164 Co4 I4 P12 Si4 -","4","1","","Wu, Siquan; Li, Xiaoyan; Xiong, Zichang; Xu, Wengang; Lu, Yunqiang; Sun, Hongjian","Synthesis and Reactivity of Silyl Iron, Cobalt, and Nickel Complexes Bearing a [PSiP]-Pincer Ligand via Si‒H Bond Activation","Organometallics","2013","32","11","3227","","10.1021/om400047j","","","0.71073","MoKα","","0.0607","0.0369","","","0.0733","0.0833","","","","","","1.001","","","","has coordinates","243633","2020-10-21","18:00:00",""
"4089405","28.416","0.006","15.56","0.003","10.537","0.002","90","","90","","90","","4659","1.6","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C48 H57 Cl Co O2 P3 Si -","- C48 H57 Cl Co O2 P3 Si -","- C192 H228 Cl4 Co4 O8 P12 Si4 -","4","0.5","","Wu, Siquan; Li, Xiaoyan; Xiong, Zichang; Xu, Wengang; Lu, Yunqiang; Sun, Hongjian","Synthesis and Reactivity of Silyl Iron, Cobalt, and Nickel Complexes Bearing a [PSiP]-Pincer Ligand via Si‒H Bond Activation","Organometallics","2013","32","11","3227","","10.1021/om400047j","","","0.71073","MoKα","","0.1338","0.0762","","","0.2005","0.2432","","","","","","1.038","","","","has coordinates","243633","2020-10-21","18:00:00",""
"4089406","16.199","0.003","9.75","0.0019","22.438","0.005","90","","97.75","0.01","90","","3511.5","1.2","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Cl Co P3 Si -","- C40 H40 Cl Co P3 Si -","- C160 H160 Cl4 Co4 P12 Si4 -","4","1","","Wu, Siquan; Li, Xiaoyan; Xiong, Zichang; Xu, Wengang; Lu, Yunqiang; Sun, Hongjian","Synthesis and Reactivity of Silyl Iron, Cobalt, and Nickel Complexes Bearing a [PSiP]-Pincer Ligand via Si‒H Bond Activation","Organometallics","2013","32","11","3227","","10.1021/om400047j","","","0.71073","MoKα","","0.0976","0.0583","","","0.144","0.17","","","","","","1.047","","","","has coordinates","243633","2020-10-21","18:00:00",""
"4089407","12.269","0.003","19.311","0.004","21.144","0.004","109.49","0.03","97.67","0.03","90.58","0.03","4672","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H50 Fe P4 Si -","- C43 H50 Fe P4 Si -","- C172 H200 Fe4 P16 Si4 -","4","2","","Wu, Siquan; Li, Xiaoyan; Xiong, Zichang; Xu, Wengang; Lu, Yunqiang; Sun, Hongjian","Synthesis and Reactivity of Silyl Iron, Cobalt, and Nickel Complexes Bearing a [PSiP]-Pincer Ligand via Si‒H Bond Activation","Organometallics","2013","32","11","3227","","10.1021/om400047j","","","0.71073","MoKα","","0.0922","0.0572","","","0.1443","0.1676","","","","","","0.904","","","","has coordinates","243633","2020-10-21","18:00:00",""
"4089408","22.1068","0.0011","8.5756","0.0004","18.6294","0.0009","90","","90","","90","","3531.7","0.3","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H33 Cu F18 K O9 -","- C24 H33 Cu F18 K O9 -","- C96 H132 Cu4 F72 K4 O36 -","4","1","","Hannigan, Steven F.; Lum, June S.; Bacon, Jeffrey W.; Moore, Curtis; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Room Temperature Stable Organocuprate Copper(III) Complex","Organometallics","2013","32","12","3429","","10.1021/om4000538","","","0.71073","MoKα","","0.029","0.0277","","","0.0719","0.0729","","","","","","1.033","","","","has coordinates","243634","2020-10-21","18:00:00",""
"4089409","11.9365","0.0006","22.8275","0.0015","22.8784","0.0011","90","","103.971","0.002","90","","6049.5","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H15 Cu F18 K O3 -","- C27 H15 Cu F18 K O3 -","- C216 H120 Cu8 F144 K8 O24 -","8","1","","Hannigan, Steven F.; Lum, June S.; Bacon, Jeffrey W.; Moore, Curtis; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Room Temperature Stable Organocuprate Copper(III) Complex","Organometallics","2013","32","12","3429","","10.1021/om4000538","","","0.71073","MoKα","","0.0347","0.0261","","","0.062","0.0654","","","","","","1.038","","","","has coordinates,has disorder","243634","2020-10-21","18:00:00",""
"4089410","25.3378","0.0015","15.1435","0.0009","23.1089","0.0013","90","","118.605","0.001","90","","7784.7","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H54 Cu3 F36 K3 O12 -","- C66 H54 Cu3 F36 K3 O12 -","- C264 H216 Cu12 F144 K12 O48 -","4","0.5","","Hannigan, Steven F.; Lum, June S.; Bacon, Jeffrey W.; Moore, Curtis; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Room Temperature Stable Organocuprate Copper(III) Complex","Organometallics","2013","32","12","3429","","10.1021/om4000538","","","0.71073","MoKα","","0.0311","0.0242","","","0.0567","0.0599","","","","","","1.023","","","","has coordinates","243634","2020-10-21","18:00:00",""
"4089411","8.6969","0.0002","19.4441","0.0003","10.5153","0.0002","90","","105.309","0.001","90","","1715.08","0.06","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cu F12 K O8 -","- C30 H32 Cu F12 K O8 -","- C60 H64 Cu2 F24 K2 O16 -","2","0.5","","Hannigan, Steven F.; Lum, June S.; Bacon, Jeffrey W.; Moore, Curtis; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H.","Room Temperature Stable Organocuprate Copper(III) Complex","Organometallics","2013","32","12","3429","","10.1021/om4000538","","","1.54178","CuKα","","0.0288","0.0279","","","0.0715","0.0722","","","","","","1.132","","","","has coordinates","243634","2020-10-21","18:00:00",""
"4089412","21.552","0.002","9.2415","0.0009","25.094","0.002","90","","90","","90","","4998","0.8","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","[(cyclooctyne)3Cu][SbF6]","","","- C24 H35 Cu F6 Sb -","- C24 H35 Cu F6 Sb -","- C192 H280 Cu8 F48 Sb8 -","8","1","","Das, Animesh; Dash, Chandrakanta; Celik, Mehmet Ali; Yousufuddin, Muhammed; Frenking, Gernot; Dias, H. V. Rasika","Tris(alkyne) and Bis(alkyne) Complexes of Coinage Metals: Synthesis and Characterization of (cyclooctyne)3M+(M = Cu, Ag) and (cyclooctyne)2Au+and Coinage Metal (M = Cu, Ag, Au) Family Group Trends","Organometallics","2013","32","11","3135","","10.1021/om400073a","","","0.71073","MoKα","","0.0979","0.0791","","","0.2015","0.212","","","","","","1.225","","","","has coordinates,has disorder","243635","2020-10-21","18:00:00",""
"4089413","8.8616","0.0008","23.228","0.002","12.1951","0.0011","90","","104.3","0.001","90","","2432.4","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","[(cyclooctyne)3Ag][PF6]","","","- C24 H36 Ag F6 P -","- C24 H36 Ag F6 P -","- C96 H144 Ag4 F24 P4 -","4","2","","Das, Animesh; Dash, Chandrakanta; Celik, Mehmet Ali; Yousufuddin, Muhammed; Frenking, Gernot; Dias, H. V. Rasika","Tris(alkyne) and Bis(alkyne) Complexes of Coinage Metals: Synthesis and Characterization of (cyclooctyne)3M+(M = Cu, Ag) and (cyclooctyne)2Au+and Coinage Metal (M = Cu, Ag, Au) Family Group Trends","Organometallics","2013","32","11","3135","","10.1021/om400073a","","","0.71073","MoKα","","0.0253","0.0246","","","0.0619","0.0624","","","","","","1.059","","","","has coordinates,has disorder","243635","2020-10-21","18:00:00",""
"4089414","18.403","0.004","12.158","0.002","18.643","0.004","90","","116.577","0.002","90","","3730.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(cyclooctyne)2Au][SbF6]","","","- C16 H24 Au F6 Sb -","- C16 H24 Au F6 Sb -","- C128 H192 Au8 F48 Sb8 -","8","2","","Das, Animesh; Dash, Chandrakanta; Celik, Mehmet Ali; Yousufuddin, Muhammed; Frenking, Gernot; Dias, H. V. Rasika","Tris(alkyne) and Bis(alkyne) Complexes of Coinage Metals: Synthesis and Characterization of (cyclooctyne)3M+(M = Cu, Ag) and (cyclooctyne)2Au+and Coinage Metal (M = Cu, Ag, Au) Family Group Trends","Organometallics","2013","32","11","3135","","10.1021/om400073a","","","0.71073","MoKα","","0.0592","0.0409","","","0.0949","0.1043","","","","","","1.019","","","","has coordinates,has disorder","243635","2020-10-21","18:00:00",""
"4089415","13.9103","0.0006","10.2228","0.0004","28.5988","0.0012","90","","90.995","0.003","90","","4066.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H67 N3 O2 Ti -","- C42 H67 N3 O2 Ti -","- C168 H268 N12 O8 Ti4 -","4","1","","Tonks, Ian A.; Meier, Josef C.; Bercaw, John E.","Alkyne Hydroamination and Trimerization with Titanium Bis(phenolate)pyridine Complexes: Evidence for Low-Valent Titanium Intermediates and Synthesis of an Ethylene Adduct of Titanium(II)","Organometallics","2013","32","12","3451","","10.1021/om400080g","","","0.71073","MoKα","","0.1168","0.065","","","0.0942","0.0977","","","","","","1.764","","","","has coordinates","243636","2020-10-21","18:00:00",""
"4089416","14.693","0.0008","14.9636","0.0008","20.1744","0.0012","90","","92.699","0.003","90","","4430.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H67 N3 O2 Ti -","- C48.014 H66.972 N3 O2 Ti -","- C192.056 H267.888 N12 O8 Ti4 -","4","1","","Tonks, Ian A.; Meier, Josef C.; Bercaw, John E.","Alkyne Hydroamination and Trimerization with Titanium Bis(phenolate)pyridine Complexes: Evidence for Low-Valent Titanium Intermediates and Synthesis of an Ethylene Adduct of Titanium(II)","Organometallics","2013","32","12","3451","","10.1021/om400080g","","","0.71073","MoKα","","0.1107","0.0584","","","0.0723","0.0742","","","","","","1.945","","","","has coordinates,has disorder","243636","2020-10-21","18:00:00",""
"4089417","11.8721","0.0006","28.5845","0.0014","29.6698","0.0015","90","","100.018","0.003","90","","9915.2","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H63 Cl2 N2 O2 Ti -","- C53 H63 Cl2 N2 O2 Ti -","- C424 H504 Cl16 N16 O16 Ti8 -","8","2","","Tonks, Ian A.; Meier, Josef C.; Bercaw, John E.","Alkyne Hydroamination and Trimerization with Titanium Bis(phenolate)pyridine Complexes: Evidence for Low-Valent Titanium Intermediates and Synthesis of an Ethylene Adduct of Titanium(II)","Organometallics","2013","32","12","3451","","10.1021/om400080g","","","0.71073","MoKα","","0.0689","0.0415","","","0.0625","0.0636","","","","","","1.877","","","","has coordinates","243636","2020-10-21","18:00:00",""
"4089418","17.7536","0.0005","10.5239","0.0003","20.788","0.0006","90","","104.343","0.002","90","","3762.91","0.19","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H59 N2 O2 Ti -","- C39.5 H59 N2 O2 Ti -","- C158 H236 N8 O8 Ti4 -","4","1","","Tonks, Ian A.; Meier, Josef C.; Bercaw, John E.","Alkyne Hydroamination and Trimerization with Titanium Bis(phenolate)pyridine Complexes: Evidence for Low-Valent Titanium Intermediates and Synthesis of an Ethylene Adduct of Titanium(II)","Organometallics","2013","32","12","3451","","10.1021/om400080g","","","0.71073","MoKα","","0.1167","0.0612","","","0.0614","0.0627","","","","","","2.095","","","","has coordinates,has disorder","243636","2020-10-21","18:00:00",""
"4089419","11.5722","0.0007","15.5202","0.0009","13.4168","0.0008","90","","90","","90","","2409.7","0.2","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C24 H34 P2 Pd -","- C24 H34 P2 Pd -","- C96 H136 P8 Pd4 -","4","0.5","","Choi, Jun-Chul; Shiraishi, Kouichi; Takenaka, Yasumasa; Yasuda, Hiroyuki; Sakakura, Toshiyasu","Synthesis and Reactivity of Five-Membered Palladalactones from Arylallenes and Carbon Dioxide: Relevance to Catalytic Lactone Synthesis","Organometallics","2013","32","11","3411","","10.1021/om400089n","","","0.71073","MoKα","","0.0311","0.0262","","","0.0706","0.0779","","","","","","1.063","","","","has coordinates","243637","2020-10-21","18:00:00",""
"4089420","11.2573","0.0004","15.9973","0.0006","10.1755","0.0004","90","","99.79","","90","","1805.78","0.12","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 O2 P2 Pd -","- C16 H26 O2 P2 Pd -","- C64 H104 O8 P8 Pd4 -","4","1","","Choi, Jun-Chul; Shiraishi, Kouichi; Takenaka, Yasumasa; Yasuda, Hiroyuki; Sakakura, Toshiyasu","Synthesis and Reactivity of Five-Membered Palladalactones from Arylallenes and Carbon Dioxide: Relevance to Catalytic Lactone Synthesis","Organometallics","2013","32","11","3411","","10.1021/om400089n","","","0.71073","MoKα","","0.0171","0.0155","","","0.0402","0.0413","","","","","","1.06","","","","has coordinates","243637","2020-10-21","18:00:00",""
"4089421","9.3042","0.0004","10.4077","0.0004","12.3897","0.0005","93.48","","110.08","","116.45","","975.78","0.07","123","2","123","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H28 O3 P2 Pd -","- C17 H28 O3 P2 Pd -","- C34 H56 O6 P4 Pd2 -","2","2","","Choi, Jun-Chul; Shiraishi, Kouichi; Takenaka, Yasumasa; Yasuda, Hiroyuki; Sakakura, Toshiyasu","Synthesis and Reactivity of Five-Membered Palladalactones from Arylallenes and Carbon Dioxide: Relevance to Catalytic Lactone Synthesis","Organometallics","2013","32","11","3411","","10.1021/om400089n","","","0.71073","MoKα","","0.0149","0.0139","","","0.034","0.0347","","","","","","0.965","","","","has coordinates","243637","2020-10-21","18:00:00",""
"4089422","15.4644","0.0011","17.9734","0.0012","18.031","0.0012","105.188","0.001","107.422","0.001","113.473","0.001","3948","0.5","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H126 N4 O2 Si4 Y2 -","- C70 H126 N4 O2 Si4 Y2 -","- C140 H252 N8 O4 Si8 Y4 -","2","1","","Li, Lei; Wu, Chunji; Liu, Dongtao; Li, Shihui; Cui, Dongmei","Binuclear Rare-Earth-Metal Alkyl Complexes Ligated by Phenylene-Bridged β-Diketiminate Ligands: Synthesis, Characterization, and Catalysis toward Isoprene Polymerization","Organometallics","2013","32","11","3203","","10.1021/om400105t","","","0.71073","MoKα","","0.1192","0.0677","","","0.1506","0.1759","","","","","","1.039","","","","has coordinates,has disorder","243638","2020-10-21","18:00:00",""
"4089423","16.2261","0.0014","20.0967","0.0018","23.451","0.002","70.308","0.001","83.665","0.002","75.007","0.001","6952.6","1","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H104 N4 O2 Si4 Y2 -","- C60 H104 N4 O2 Si4 Y2 -","- C240 H416 N16 O8 Si16 Y8 -","4","2","","Li, Lei; Wu, Chunji; Liu, Dongtao; Li, Shihui; Cui, Dongmei","Binuclear Rare-Earth-Metal Alkyl Complexes Ligated by Phenylene-Bridged β-Diketiminate Ligands: Synthesis, Characterization, and Catalysis toward Isoprene Polymerization","Organometallics","2013","32","11","3203","","10.1021/om400105t","","","0.71073","MoKα","","0.1535","0.0589","","","0.112","0.1433","","","","","","0.929","","","","has coordinates","243638","2020-10-21","18:00:00",""
"4089424","16.734","0.001","26.3607","0.0015","15.8704","0.0009","90","","91.8","0.001","90","","6997.3","0.7","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H104 Lu2 N4 O2 Si4 -","- C60 H104 Lu2 N4 O2 Si4 -","- C240 H416 Lu8 N16 O8 Si16 -","4","1","","Li, Lei; Wu, Chunji; Liu, Dongtao; Li, Shihui; Cui, Dongmei","Binuclear Rare-Earth-Metal Alkyl Complexes Ligated by Phenylene-Bridged β-Diketiminate Ligands: Synthesis, Characterization, and Catalysis toward Isoprene Polymerization","Organometallics","2013","32","11","3203","","10.1021/om400105t","","","0.71073","MoKα","","0.0987","0.0605","","","0.1141","0.1296","","","","","","1.043","","","","has coordinates,has disorder","243638","2020-10-21","18:00:00",""
"4089425","12.9916","0.001","13.4263","0.0011","19.1048","0.0014","86.496","0.002","86.182","0.002","83.563","0.002","3299.2","0.4","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H103 N4 O Sc2 Si4 -","- C59 H103 N4 O Sc2 Si4 -","- C118 H206 N8 O2 Sc4 Si8 -","2","1","","Li, Lei; Wu, Chunji; Liu, Dongtao; Li, Shihui; Cui, Dongmei","Binuclear Rare-Earth-Metal Alkyl Complexes Ligated by Phenylene-Bridged β-Diketiminate Ligands: Synthesis, Characterization, and Catalysis toward Isoprene Polymerization","Organometallics","2013","32","11","3203","","10.1021/om400105t","","","0.71073","MoKα","","0.1713","0.076","","","0.1454","0.1877","","","","","","0.939","","","","has coordinates","243638","2020-10-21","18:00:00",""
"4089426","15.6663","0.0009","16.3678","0.0009","17.0806","0.0009","95.682","0.001","106.484","0.001","116.808","0.001","3614.2","0.3","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H110 N4 O2 Si4 Y2 -","- C62 H110 N4 O2 Si4 Y2 -","- C124 H220 N8 O4 Si8 Y4 -","2","1","","Li, Lei; Wu, Chunji; Liu, Dongtao; Li, Shihui; Cui, Dongmei","Binuclear Rare-Earth-Metal Alkyl Complexes Ligated by Phenylene-Bridged β-Diketiminate Ligands: Synthesis, Characterization, and Catalysis toward Isoprene Polymerization","Organometallics","2013","32","11","3203","","10.1021/om400105t","","","0.71073","MoKα","","0.1106","0.0606","","","0.1305","0.1529","","","","","","0.974","","","","has coordinates","243638","2020-10-21","18:00:00",""
"4089427","9.5407","0.0002","9.6901","0.0002","17.5572","0.0004","99.4821","0.0011","93.3097","0.0011","100.503","0.001","1567.71","0.06","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H33 O2 P2 Re -","- C37 H33 O2 P2 Re -","- C74 H66 O4 P4 Re2 -","2","1","","Liu, Shuo; Senocak, Aysegul; Smeltz, Jessica L.; Yang, Linan; Wegenhart, Benjamin; Yi, Jing; Kenttämaa, Hilkka I.; Ison, Elon A.; Abu-Omar, Mahdi M.","Mechanism of MTO-Catalyzed Deoxydehydration of Diols to Alkenes Using Sacrificial Alcohols","Organometallics","2013","32","11","3210","","10.1021/om400127z","","","0.71073","MoKα","","0.0418","0.0295","","","0.0599","0.0715","","","","","","1.032","","","","has coordinates","243639","2020-10-21","18:00:00",""
"4089428","9.6838","0.0008","10.2736","0.0009","18.714","0.0014","97.101","0.003","101.746","0.003","94.964","0.004","1796.8","0.3","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H69 O2 P2 Re -","- C37 H69 O2 P2 Re -","- C74 H138 O4 P4 Re2 -","2","1","","Liu, Shuo; Senocak, Aysegul; Smeltz, Jessica L.; Yang, Linan; Wegenhart, Benjamin; Yi, Jing; Kenttämaa, Hilkka I.; Ison, Elon A.; Abu-Omar, Mahdi M.","Mechanism of MTO-Catalyzed Deoxydehydration of Diols to Alkenes Using Sacrificial Alcohols","Organometallics","2013","32","11","3210","","10.1021/om400127z","","","0.71073","MoKα","","0.0321","0.0273","","","0.048","0.0488","","","","","","1.154","","","","has coordinates,has disorder","243639","2020-10-21","18:00:00",""
"4089429","17.369","0.0004","31.8589","0.0008","10.7174","0.0001","90","","90","","90","","5930.6","0.2","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","none","N,N'-((1R, 2R)-cyclohexane-1,2-diyl)-bis(2-diphenylarsinobenzamide) acetonitrile solvate","","- C44.8 H41.2 As2 N2.4 O2 -","- C44.8 H41.2 As2 N2.4 O2 -","- C268.8 H247.2 As12 N14.4 O12 -","6","1.5","","Uberman, Paula M.; Caira, Mino R.; Mart\?ín, Sandra E.","A Chiral Bis(arsine) Ligand: Synthesis and Applications in Palladium-Catalyzed Asymmetric Allylic Alkylations","Organometallics","2013","32","11","3220","","10.1021/om400144s","","","0.71073","MoKα","","0.0675","0.0479","","","0.1083","0.1158","","","","","","1.063","","","","has coordinates","243640","2020-10-21","18:00:00",""
"4089430","9.9907","0.0003","13.9388","0.0004","32.1296","0.0009","90","","90","","90","","4474.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H64 N2 O2 Zr -","- C51 H64 N2 O2 Zr -","- C204 H256 N8 O8 Zr4 -","4","1","","Despagnet-Ayoub, Emmanuelle; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","Group 4 Transition-Metal Complexes of an Aniline‒Carbene‒Phenol Ligand","Organometallics","2013","32","10","2934","","10.1021/om4001567","","","0.71073","MoKα","","0.0432","0.033","","","0.0385","0.0389","","","","","","1.497","","","","has coordinates,has disorder","243641","2020-10-21","18:00:00",""
"4089431","14.5151","0.0007","25.0837","0.0013","15.3397","0.0008","90","","116.916","0.003","90","","4980","0.5","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 Cl9 N5 O Ti -","- C39 H59.99 Cl8.995 N5 O Ti -","- C156 H239.96 Cl35.98 N20 O4 Ti4 -","4","1","","Despagnet-Ayoub, Emmanuelle; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","Group 4 Transition-Metal Complexes of an Aniline‒Carbene‒Phenol Ligand","Organometallics","2013","32","10","2934","","10.1021/om4001567","","","0.71073","MoKα","","0.0874","0.0545","","","0.1273","0.1348","","","","","","1.689","","","","has coordinates,has disorder","243641","2020-10-21","18:00:00",""
"4089432","16.1106","0.0013","23.8534","0.0018","11.4136","0.0009","90","","111.266","0.005","90","","4087.5","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 Cl5 N4 O Ti -","- C35 H49 Cl5 N4 O Ti -","- C140 H196 Cl20 N16 O4 Ti4 -","4","1","","Despagnet-Ayoub, Emmanuelle; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","Group 4 Transition-Metal Complexes of an Aniline‒Carbene‒Phenol Ligand","Organometallics","2013","32","10","2934","","10.1021/om4001567","","","0.71073","MoKα","","0.3101","0.2525","","","0.6466","0.6664","","","","","","2.695","","","","has coordinates","243641","2020-10-21","18:00:00",""
"4089433","10.0034","0.0006","13.0318","0.0008","19.1179","0.0013","70.279","0.003","81.233","0.003","74.687","0.003","2257.3","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H61 N3 O Zr -","- C53 H61 N3 O Zr -","- C106 H122 N6 O2 Zr2 -","2","1","","Despagnet-Ayoub, Emmanuelle; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","Group 4 Transition-Metal Complexes of an Aniline‒Carbene‒Phenol Ligand","Organometallics","2013","32","10","2934","","10.1021/om4001567","","","0.71073","MoKα","","0.0981","0.0677","","","0.138","0.1436","","","","","","1.64","","","","has coordinates","243641","2020-10-21","18:00:00",""
"4089434","11.709","0.004","15.983","0.005","36.823","0.011","90","","97.441","0.005","90","","6833","4","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H52 Au Cl N2 -","- C35 H52 Au Cl N2 -","- C280 H416 Au8 Cl8 N16 -","8","2","","Collado, Alba; Balogh, János; Meiries, Sebastien; Slawin, Alexandra M. Z.; Falivene, Laura; Cavallo, Luigi; Nolan, Steven P.","Steric and Electronic Parameters of a Bulky yet Flexible N-Heterocyclic Carbene: 1,3-Bis(2,6-bis(1-ethylpropyl)phenyl)imidazol-2-ylidene (IPent)","Organometallics","2013","32","11","3249","","10.1021/om400168b","","","0.71075","MoKα","","","0.0722","","","","0.2754","","","","","","1.186","","","","has coordinates","243642","2020-10-21","18:00:00",""
"4089435","8.3859","0.0015","21.075","0.004","20.457","0.004","90","","101.239","0.005","90","","3546.1","1.2","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H52 N2 Ni O3 -","- C38 H52 N2 Ni O3 -","- C152 H208 N8 Ni4 O12 -","4","1","","Collado, Alba; Balogh, János; Meiries, Sebastien; Slawin, Alexandra M. Z.; Falivene, Laura; Cavallo, Luigi; Nolan, Steven P.","Steric and Electronic Parameters of a Bulky yet Flexible N-Heterocyclic Carbene: 1,3-Bis(2,6-bis(1-ethylpropyl)phenyl)imidazol-2-ylidene (IPent)","Organometallics","2013","32","11","3249","","10.1021/om400168b","","","0.71075","MoKα","","","0.0805","","","","0.2465","","","","","","0.87","","","","has coordinates","243643","2020-10-21","18:00:00",""
"4089436","8.3107","0.0017","13.092","0.003","14.107","0.003","80.48","0.03","86.95","0.03","80.75","0.03","1493.5","0.6","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H52 Ir2 -","- C36 H52 Ir2 -","- C72 H104 Ir4 -","2","1","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Synthesis, Reactivities, and Catalytic Properties of Iodo-Bridged Polymeric Iridium Complexes with Flexible Carbon Chain-Bridged Bis(tetramethylcyclopentadienyl) Ligands","Organometallics","2013","32","11","3253","","10.1021/om4001742","","","0.71073","MoKα","","0.036","0.0317","","","0.0775","0.079","","","","","","0.991","","","","has coordinates","243644","2020-10-21","18:00:00",""
"4089437","15.339","0.005","10.283","0.003","18.689","0.006","90","","92.436","0.006","90","","2945.2","1.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Cl2 I2 Ir P -","- C29 H31 Cl2 I2 Ir P -","- C116 H124 Cl8 I8 Ir4 P4 -","4","1","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Synthesis, Reactivities, and Catalytic Properties of Iodo-Bridged Polymeric Iridium Complexes with Flexible Carbon Chain-Bridged Bis(tetramethylcyclopentadienyl) Ligands","Organometallics","2013","32","11","3253","","10.1021/om4001742","","","0.71073","MoKα","","0.0373","0.0329","","","0.0627","0.0646","","","","","","0.903","","","","has coordinates","243644","2020-10-21","18:00:00",""
"4089438","15.299","0.004","13.816","0.003","14.935","0.004","90","","112.177","0.003","90","","2923.3","1.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 I4 Ir2 O2 -","- C23 H30 I4 Ir2 O2 -","- C92 H120 I16 Ir8 O8 -","4","1","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Synthesis, Reactivities, and Catalytic Properties of Iodo-Bridged Polymeric Iridium Complexes with Flexible Carbon Chain-Bridged Bis(tetramethylcyclopentadienyl) Ligands","Organometallics","2013","32","11","3253","","10.1021/om4001742","","","0.71073","MoKα","","0.0404","0.0315","","","0.0477","0.0493","","","","","","0.924","","","","has coordinates","243644","2020-10-21","18:00:00",""
"4089439","12.634","0.005","8.193","0.003","13.626","0.006","90","","112.63","0.006","90","","1301.8","0.9","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Ir2 O4 -","- C26 H32 Ir2 O4 -","- C52 H64 Ir4 O8 -","2","0.5","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Synthesis, Reactivities, and Catalytic Properties of Iodo-Bridged Polymeric Iridium Complexes with Flexible Carbon Chain-Bridged Bis(tetramethylcyclopentadienyl) Ligands","Organometallics","2013","32","11","3253","","10.1021/om4001742","","","0.71073","MoKα","","0.0362","0.0304","","","0.0569","0.0579","","","","","","0.949","","","","has coordinates","243644","2020-10-21","18:00:00",""
"4089440","8.845","0.002","12.803","0.004","18.18","0.005","80.954","0.011","77.584","0.009","77.923","0.012","1952.5","0.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H46 I2 Ir2 N2 -","- C43 H46 I2 Ir2 N2 -","- C86 H92 I4 Ir4 N4 -","2","1","","Tan, Xing; Li, Bin; Xu, Shansheng; Song, Haibin; Wang, Baiquan","Synthesis, Reactivities, and Catalytic Properties of Iodo-Bridged Polymeric Iridium Complexes with Flexible Carbon Chain-Bridged Bis(tetramethylcyclopentadienyl) Ligands","Organometallics","2013","32","11","3253","","10.1021/om4001742","","","0.71075","MoKα","","0.0506","0.0368","","","0.0654","0.0697","","","","","","0.979","","","","has coordinates,has disorder","243644","2020-10-21","18:00:00",""
"4089441","19.165","0.004","7.1529","0.0014","10.601","0.002","90","","90","","90","","1453.2","0.5","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H19 Cl O3 Si -","- C12 H19 Cl O3 Si -","- C48 H76 Cl4 O12 Si4 -","4","0.5","","Laskowski, Nadine; Reis, Eva-Maria; Kötzner, Lisa; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Synthesis of Silicon-Functionalized (Silylmethyl)silanes and α,ω-Dichlorocarbosilanes Using the TMOP (2,4,6-Trimethoxyphenyl) Protecting Group: (TMOP)Me2SiCH2Cl and (TMOP)2MeSiCH2Cl as Reagents To Introduce the ClMe2SiCH2, MeOMe2SiCH2, or Cl2MeSiCH2 Group by Nucleophilic Substitution at Silicon","Organometallics","2013","32","11","3269","","10.1021/om400190q","","","0.71073","MoKα","","0.0534","0.0364","","","0.0971","0.1042","","","","","","0.997","","","","has coordinates","243645","2020-10-21","18:00:00",""
"4089442","11.083","0.002","12.489","0.003","17.159","0.004","71.17","0.03","73.89","0.03","78.16","0.03","2142.2","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 Cl O6 Si -","- C20 H27 Cl O6 Si -","- C80 H108 Cl4 O24 Si4 -","4","2","","Laskowski, Nadine; Reis, Eva-Maria; Kötzner, Lisa; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Synthesis of Silicon-Functionalized (Silylmethyl)silanes and α,ω-Dichlorocarbosilanes Using the TMOP (2,4,6-Trimethoxyphenyl) Protecting Group: (TMOP)Me2SiCH2Cl and (TMOP)2MeSiCH2Cl as Reagents To Introduce the ClMe2SiCH2, MeOMe2SiCH2, or Cl2MeSiCH2 Group by Nucleophilic Substitution at Silicon","Organometallics","2013","32","11","3269","","10.1021/om400190q","","","0.71073","MoKα","","0.0738","0.0575","","","0.1611","0.1694","","","","","","1.078","","","","has coordinates","243645","2020-10-21","18:00:00",""
"4089443","8.8734","0.0018","25.995","0.005","8.1597","0.0016","90","","96.78","0.03","90","","1869","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O3 Si2 -","- C15 H28 O3 Si2 -","- C60 H112 O12 Si8 -","4","1","","Laskowski, Nadine; Reis, Eva-Maria; Kötzner, Lisa; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Synthesis of Silicon-Functionalized (Silylmethyl)silanes and α,ω-Dichlorocarbosilanes Using the TMOP (2,4,6-Trimethoxyphenyl) Protecting Group: (TMOP)Me2SiCH2Cl and (TMOP)2MeSiCH2Cl as Reagents To Introduce the ClMe2SiCH2, MeOMe2SiCH2, or Cl2MeSiCH2 Group by Nucleophilic Substitution at Silicon","Organometallics","2013","32","11","3269","","10.1021/om400190q","","","0.71073","MoKα","","0.0504","0.0448","","","0.1236","0.1279","","","","","","1.073","","","","has coordinates","243645","2020-10-21","18:00:00",""
"4089444","8.2187","0.0004","9.2752","0.0004","12.1689","0.0006","77.339","0.002","83.886","0.002","81.017","0.002","891.46","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H25 Cl O3 Si2 -","- C14 H25 Cl O3 Si2 -","- C28 H50 Cl2 O6 Si4 -","2","1","","Laskowski, Nadine; Reis, Eva-Maria; Kötzner, Lisa; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Synthesis of Silicon-Functionalized (Silylmethyl)silanes and α,ω-Dichlorocarbosilanes Using the TMOP (2,4,6-Trimethoxyphenyl) Protecting Group: (TMOP)Me2SiCH2Cl and (TMOP)2MeSiCH2Cl as Reagents To Introduce the ClMe2SiCH2, MeOMe2SiCH2, or Cl2MeSiCH2 Group by Nucleophilic Substitution at Silicon","Organometallics","2013","32","11","3269","","10.1021/om400190q","","","0.71073","MoKα","","0.0284","0.0258","","","0.0715","0.0733","","","","","","1.059","","","","has coordinates","243645","2020-10-21","18:00:00",""
"4089445","8.136","0.003","8.797","0.003","13.306","0.005","106.91","0.006","100.409","0.006","97.462","0.006","879.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H22 Cl2 O3 Si2 -","- C13 H22 Cl2 O3 Si2 -","- C26 H44 Cl4 O6 Si4 -","2","1","","Laskowski, Nadine; Reis, Eva-Maria; Kötzner, Lisa; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Synthesis of Silicon-Functionalized (Silylmethyl)silanes and α,ω-Dichlorocarbosilanes Using the TMOP (2,4,6-Trimethoxyphenyl) Protecting Group: (TMOP)Me2SiCH2Cl and (TMOP)2MeSiCH2Cl as Reagents To Introduce the ClMe2SiCH2, MeOMe2SiCH2, or Cl2MeSiCH2 Group by Nucleophilic Substitution at Silicon","Organometallics","2013","32","11","3269","","10.1021/om400190q","","","0.71073","MoKα","","0.0317","0.0275","","","0.0781","0.0814","","","","","","1.061","","","","has coordinates","243645","2020-10-21","18:00:00",""
"4089446","8.0947","0.0016","8.7859","0.0018","13.272","0.003","106.4","0.03","100.51","0.03","97.4","0.03","873.9","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 Cl3 O3 Si2 -","- C12 H19 Cl3 O3 Si2 -","- C24 H38 Cl6 O6 Si4 -","2","1","","Laskowski, Nadine; Reis, Eva-Maria; Kötzner, Lisa; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Synthesis of Silicon-Functionalized (Silylmethyl)silanes and α,ω-Dichlorocarbosilanes Using the TMOP (2,4,6-Trimethoxyphenyl) Protecting Group: (TMOP)Me2SiCH2Cl and (TMOP)2MeSiCH2Cl as Reagents To Introduce the ClMe2SiCH2, MeOMe2SiCH2, or Cl2MeSiCH2 Group by Nucleophilic Substitution at Silicon","Organometallics","2013","32","11","3269","","10.1021/om400190q","","","0.71073","MoKα","","0.0343","0.0291","","","0.0753","0.0804","","","","","","1.07","","","","has coordinates","243645","2020-10-21","18:00:00",""
"4089447","12.101","0.003","15.026","0.003","15.174","0.003","94.85","0.03","109.23","0.03","96.25","0.03","2568.3","1.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H36 O6 Si2 -","- C23 H36 O6 Si2 -","- C92 H144 O24 Si8 -","4","2","","Laskowski, Nadine; Reis, Eva-Maria; Kötzner, Lisa; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Synthesis of Silicon-Functionalized (Silylmethyl)silanes and α,ω-Dichlorocarbosilanes Using the TMOP (2,4,6-Trimethoxyphenyl) Protecting Group: (TMOP)Me2SiCH2Cl and (TMOP)2MeSiCH2Cl as Reagents To Introduce the ClMe2SiCH2, MeOMe2SiCH2, or Cl2MeSiCH2 Group by Nucleophilic Substitution at Silicon","Organometallics","2013","32","11","3269","","10.1021/om400190q","","","0.71073","MoKα","","0.0521","0.0431","","","0.1342","0.1387","","","","","","1.087","","","","has coordinates","243645","2020-10-21","18:00:00",""
"4089448","11.164","0.002","11.693","0.002","11.975","0.002","80.67","0.03","75.67","0.03","86.43","0.03","1494.1","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H44 O6 Si3 -","- C26 H44 O6 Si3 -","- C52 H88 O12 Si6 -","2","1","","Laskowski, Nadine; Reis, Eva-Maria; Kötzner, Lisa; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold","Synthesis of Silicon-Functionalized (Silylmethyl)silanes and α,ω-Dichlorocarbosilanes Using the TMOP (2,4,6-Trimethoxyphenyl) Protecting Group: (TMOP)Me2SiCH2Cl and (TMOP)2MeSiCH2Cl as Reagents To Introduce the ClMe2SiCH2, MeOMe2SiCH2, or Cl2MeSiCH2 Group by Nucleophilic Substitution at Silicon","Organometallics","2013","32","11","3269","","10.1021/om400190q","","","0.71073","MoKα","","0.0655","0.0415","","","0.1028","0.1121","","","","","","0.962","","","","has coordinates","243645","2020-10-21","18:00:00",""
"4089449","7.8795","0.0011","15.154","0.002","15.398","0.002","90","","99.754","0.002","90","","1812","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O Zn -","- C18 H23 N3 O Zn -","- C72 H92 N12 O4 Zn4 -","4","1","","Yu, Xiao-Feng; Zhang, Cheng; Wang, Zhong-Xia","Rapid and Controlled Polymerization of rac-Lactide Using N,N,O-Chelate Zinc Enolate Catalysts","Organometallics","2013","32","11","3262","","10.1021/om400193z","","","0.71073","MoKα","","0.0828","0.0643","","","0.1741","0.1904","","","","","","1.085","","","","has coordinates","243646","2020-10-21","18:00:00",""
"4089450","9.5464","0.0011","11.1574","0.0013","15.7317","0.0018","91.723","0.002","104.828","0.002","113.929","0.002","1463.5","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H32 N3 O P Zn -","- C33 H32 N3 O P Zn -","- C66 H64 N6 O2 P2 Zn2 -","2","1","","Yu, Xiao-Feng; Zhang, Cheng; Wang, Zhong-Xia","Rapid and Controlled Polymerization of rac-Lactide Using N,N,O-Chelate Zinc Enolate Catalysts","Organometallics","2013","32","11","3262","","10.1021/om400193z","","","0.71073","MoKα","","0.0454","0.0338","","","0.0872","0.0954","","","","","","1.02","","","","has coordinates","243646","2020-10-21","18:00:00",""
"4089451","21.712","0.0006","7.334","0.0002","4.0807","0.0001","90","","90.466","0.001","90","","649.77","0.03","103","2","103","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C10 H10 Cu I O2 P2 -","- C10 H10 Cu I O2 P2 -","- C20 H20 Cu2 I2 O4 P4 -","2","0.5","","Mao, Yanli; Lim, Kelvin Meng Hui; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","The Original Coordination Chemistry of 2-Phosphaphenol with Copper(I) and Gold(I) Halides","Organometallics","2013","32","12","3562","","10.1021/om400207y","","","0.71073","MoKα","","0.0199","0.0182","","","0.0446","0.0713","","","","","","1.177","","","","has coordinates","243647","2020-10-21","18:00:00",""
"4089452","25.1573","0.0007","27.3236","0.0008","4.136","0.0001","90","","90","","90","","2843.04","0.13","103","2","103","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C5 H5 Au Cl O P -","- C5 H5 Au Cl O P -","- C80 H80 Au16 Cl16 O16 P16 -","16","1","","Mao, Yanli; Lim, Kelvin Meng Hui; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","The Original Coordination Chemistry of 2-Phosphaphenol with Copper(I) and Gold(I) Halides","Organometallics","2013","32","12","3562","","10.1021/om400207y","","","0.71073","MoKα","","0.0236","0.0186","","","0.044","0.0651","","","","","","1.188","","","","has coordinates","243647","2020-10-21","18:00:00",""
"4089453","9.2488","0.001","17.7696","0.0018","7.5714","0.0007","90","","90.817","0.003","90","","1244.2","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Br Cu O2 P2 -","- C10 H10 Br Cu O2 P2 -","- C40 H40 Br4 Cu4 O8 P8 -","4","1","","Mao, Yanli; Lim, Kelvin Meng Hui; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","The Original Coordination Chemistry of 2-Phosphaphenol with Copper(I) and Gold(I) Halides","Organometallics","2013","32","12","3562","","10.1021/om400207y","","","0.71073","MoKα","","0.0821","0.0468","","","0.1092","0.144","","","","","","1.075","","","","has coordinates","243647","2020-10-21","18:00:00",""
"4089454","7.2297","0.0002","9.3745","0.0003","9.5825","0.0003","83.14","0.001","80.584","0.001","76.615","0.001","621.04","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 Cu2 O4 P4 -","- C20 H20 Cl2 Cu2 O4 P4 -","- C20 H20 Cl2 Cu2 O4 P4 -","1","0.5","","Mao, Yanli; Lim, Kelvin Meng Hui; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois","The Original Coordination Chemistry of 2-Phosphaphenol with Copper(I) and Gold(I) Halides","Organometallics","2013","32","12","3562","","10.1021/om400207y","","","0.71073","MoKα","","0.0319","0.0268","","","0.0708","0.0744","","","","","","1.045","","","","has coordinates","243647","2020-10-21","18:00:00",""
"4089455","22.398","","12.412","","38.241","","90","","106.45","","90","","10196","","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ph4Cp2ZrCl2","bis tetraphenylCp Zirconocene","","- C124 H99 Cl7 Zr2 -","- C124 H99 Cl7 Zr2 -","- C496 H396 Cl28 Zr8 -","4","1","","Pritchard, Victoria E.; Thorp-Greenwood, Flora L.; Balasingham, Rebeca G.; Williams, Catrin F.; Kariuki, Benson M.; Platts, James A.; Hallett, Andrew J.; Coogan, Michael P.","Simple Polyphenyl Zirconium and Hafnium Metallocene Room-Temperature Lumophores for Cell Imaging","Organometallics","2013","32","12","3566","","10.1021/om400212y","","","0.71073","MoKα","","0.1839","0.093","","","0.2201","0.2635","","","","","","1.047","","","","has coordinates","243648","2020-10-21","18:00:00",""
"4089456","22.486","0.0006","12.492","0.0003","38.2299","0.0008","90","","106.285","0.001","90","","10307.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C59.35 H43.35 Cl6.05 Hf -","- C59.35 H43.35 Cl6.05 Hf -","- C474.8 H346.8 Cl48.4 Hf8 -","8","2","","Pritchard, Victoria E.; Thorp-Greenwood, Flora L.; Balasingham, Rebeca G.; Williams, Catrin F.; Kariuki, Benson M.; Platts, James A.; Hallett, Andrew J.; Coogan, Michael P.","Simple Polyphenyl Zirconium and Hafnium Metallocene Room-Temperature Lumophores for Cell Imaging","Organometallics","2013","32","12","3566","","10.1021/om400212y","","","0.71073","MoKα","","0.1376","0.0714","","","0.1307","0.1533","","","","","","1.031","","","","has coordinates,has disorder","243648","2020-10-21","18:00:00",""
"4089457","11.874","0.002","12.293","0.003","19.195","0.004","84.17","0.03","85.39","0.03","66.11","0.03","2546.2","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 Ge P Si8 Ti -","- C32 H73 Ge P Si8 Ti -","- C64 H146 Ge2 P2 Si16 Ti2 -","2","1","","Hlina, Johann; Baumgartner, Judith; Marschner, Christoph; Zark, Patrick; Müller, Thomas","Coordination Chemistry of Disilylated Germylenes with Group 4 Metallocenes.","Organometallics","2013","32","11","3300","3308","10.1021/om400215v","","","0.71073","MoKα","","0.0738","0.0606","","","0.1331","0.1391","","","","","","1.094","","","","has coordinates","243649","2020-10-21","18:00:00",""
"4089458","11.914","0.002","12.35","0.003","19.437","0.004","83.87","0.03","84.48","0.03","65.9","0.03","2591.3","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 Ge P Si8 Zr -","- C32 H73 Ge P Si8 Zr -","- C64 H146 Ge2 P2 Si16 Zr2 -","2","1","","Hlina, Johann; Baumgartner, Judith; Marschner, Christoph; Zark, Patrick; Müller, Thomas","Coordination Chemistry of Disilylated Germylenes with Group 4 Metallocenes.","Organometallics","2013","32","11","3300","3308","10.1021/om400215v","","","0.71073","MoKα","","0.1113","0.0849","","","0.1738","0.1842","","","","","","1.149","","","","has coordinates","243649","2020-10-21","18:00:00",""
"4089459","11.885","0.002","12.335","0.003","19.4","0.004","83.91","0.03","84.47","0.03","65.88","0.03","2576.7","1.1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H73 Ge Hf P Si8 -","- C32 H73 Ge Hf P Si8 -","- C64 H146 Ge2 Hf2 P2 Si16 -","2","1","","Hlina, Johann; Baumgartner, Judith; Marschner, Christoph; Zark, Patrick; Müller, Thomas","Coordination Chemistry of Disilylated Germylenes with Group 4 Metallocenes.","Organometallics","2013","32","11","3300","3308","10.1021/om400215v","","","0.71073","MoKα","","0.1067","0.0837","","","0.1643","0.1731","","","","","","1.149","","","","has coordinates","243649","2020-10-21","18:00:00",""
"4089460","14.964","0.003","17.594","0.004","18.433","0.004","85.49","0.03","87.54","0.03","82","0.03","4788.4","1.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H70 Ge N2 Si7 Ti -","- C37 H70 Ge N2 Si7 Ti -","- C148 H280 Ge4 N8 Si28 Ti4 -","4","2","","Hlina, Johann; Baumgartner, Judith; Marschner, Christoph; Zark, Patrick; Müller, Thomas","Coordination Chemistry of Disilylated Germylenes with Group 4 Metallocenes.","Organometallics","2013","32","11","3300","3308","10.1021/om400215v","","","0.71073","MoKα","","0.0477","0.0382","","","0.0933","0.097","","","","","","1.042","","","","has coordinates","252052","2020-10-21","18:00:00",""
"4089461","10.7126","0.0004","15.673","0.0005","19.6255","0.0007","90","","98.552","0.002","90","","3258.5","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Cl2 N4 O Ti -","- C34 H36 Cl2 N4 O Ti -","- C136 H144 Cl8 N16 O4 Ti4 -","4","1","","Harkness, Michael B.; Alvarado, Edwin; Badaj, Anna C.; Skrela, Barbara C.; Fan, Louie; Lavoie, Gino G.","Coordination and Reactivity Study of Group 4 and 10 Transition Metal Complexes ofN-Imidazol-2-ylidene-N′-p-tolylureate and Thioureate Ligands","Organometallics","2013","32","11","3309","","10.1021/om400220v","","","0.71073","MoKα","","0.1203","0.0541","","","0.1129","0.1396","","","","","","1.017","","","","has coordinates","243650","2020-10-21","18:00:00",""
"4089462","11.2789","0.0005","11.9703","0.0006","15.2058","0.0007","111.265","0.002","94.818","0.003","102.618","0.003","1836.66","0.16","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H35 Cl4 F3 N4 S Ti -","- C35 H35 Cl4 F3 N4 S Ti -","- C70 H70 Cl8 F6 N8 S2 Ti2 -","2","1","","Harkness, Michael B.; Alvarado, Edwin; Badaj, Anna C.; Skrela, Barbara C.; Fan, Louie; Lavoie, Gino G.","Coordination and Reactivity Study of Group 4 and 10 Transition Metal Complexes ofN-Imidazol-2-ylidene-N′-p-tolylureate and Thioureate Ligands","Organometallics","2013","32","11","3309","","10.1021/om400220v","","","1.54178","CuKα","","0.0454","0.0392","","","0.1007","0.1052","","","","","","1.038","","","","has coordinates,has disorder","243650","2020-10-21","18:00:00",""
"4089463","15.8799","0.0002","14.5184","0.0003","25.949","0.0006","90","","102.035","0.001","90","","5851.1","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H64 Cl4 N8 O2 Ti -","- C59 H64 Cl4 N8 O2 Ti -","- C236 H256 Cl16 N32 O8 Ti4 -","4","1","","Harkness, Michael B.; Alvarado, Edwin; Badaj, Anna C.; Skrela, Barbara C.; Fan, Louie; Lavoie, Gino G.","Coordination and Reactivity Study of Group 4 and 10 Transition Metal Complexes ofN-Imidazol-2-ylidene-N′-p-tolylureate and Thioureate Ligands","Organometallics","2013","32","11","3309","","10.1021/om400220v","","","0.71073","MoKα","","0.1342","0.0548","","","0.1208","0.1546","","","","","","1.021","","","","has coordinates","243650","2020-10-21","18:00:00",""
"4089464","8.8261","0.0003","14.1257","0.0004","23.4966","0.0009","90","","93.891","0.002","90","","2922.68","0.17","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N4 O Pd -","- C32 H36 N4 O Pd -","- C128 H144 N16 O4 Pd4 -","4","1","","Harkness, Michael B.; Alvarado, Edwin; Badaj, Anna C.; Skrela, Barbara C.; Fan, Louie; Lavoie, Gino G.","Coordination and Reactivity Study of Group 4 and 10 Transition Metal Complexes ofN-Imidazol-2-ylidene-N′-p-tolylureate and Thioureate Ligands","Organometallics","2013","32","11","3309","","10.1021/om400220v","","","0.71073","MoKα","","0.1652","0.0703","","","0.1665","0.2185","","","","","","1.021","","","","has coordinates,has disorder","243650","2020-10-21","18:00:00",""
"4089465","11.5188","0.0014","15.159","0.002","17.772","0.002","96.84","0.003","93.54","0.003","110.67","0.003","2864.8","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H72 N8 Ni O S2 -","- C62 H72 N8 Ni O S2 -","- C124 H144 N16 Ni2 O2 S4 -","2","1","","Harkness, Michael B.; Alvarado, Edwin; Badaj, Anna C.; Skrela, Barbara C.; Fan, Louie; Lavoie, Gino G.","Coordination and Reactivity Study of Group 4 and 10 Transition Metal Complexes ofN-Imidazol-2-ylidene-N′-p-tolylureate and Thioureate Ligands","Organometallics","2013","32","11","3309","","10.1021/om400220v","","","0.71073","MoKα","","0.0695","0.0476","","","0.1217","0.1337","","","","","","1.03","","","","has coordinates","243650","2020-10-21","18:00:00",""
"4089466","10.3282","0.0004","22.4057","0.0009","17.2239","0.0007","90","","92.28","0.002","90","","3982.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H62 Cl2 Ir5 O3 -","- C41 H62 Cl2 Ir5 O3 -","- C164 H248 Cl8 Ir20 O12 -","4","1","","Ahmed, Tonia S.; Tonks, Ian A.; Labinger, Jay A.; Bercaw, John E.","Kinetics and Mechanism of Indene C‒H Bond Activation by [(COD)Ir(μ2-OH)]2","Organometallics","2013","32","11","3322","","10.1021/om400230j","","","0.71073","MoKα","","0.0341","0.0236","","","0.0381","0.0393","","","","","","1.436","","","","has coordinates,has disorder","243651","2020-10-21","18:00:00",""
"4089467","15.525","0.0005","8.2613","0.0003","22.6528","0.0007","90","","90","","90","","2905.37","0.17","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H18 S Si -","- C16 H18 S Si -","- C128 H144 S8 Si8 -","8","2","","Durka, Krzysztof; Kliś, Tomasz; Serwatowski, Janusz; Woźniak, Krzysztof","Influence of the Silyl Group on the Reactivity of Some Ortho-Lithiated Aryl Alkyl Sulfides","Organometallics","2013","32","11","3145","","10.1021/om400236x","","","0.71073","MoKα","","0.1081","0.0556","","","0.1033","0.1357","","","","","","1.037","","","","has coordinates","243652","2020-10-21","18:00:00",""
"4089468","9.3203","0.0017","20.711","0.0006","7.6433","0.0008","90","","110.89","0.02","90","","1378.4","0.3","100","2","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 S Si -","- C15 H16 S Si -","- C60 H64 S4 Si4 -","4","1","","Durka, Krzysztof; Kliś, Tomasz; Serwatowski, Janusz; Woźniak, Krzysztof","Influence of the Silyl Group on the Reactivity of Some Ortho-Lithiated Aryl Alkyl Sulfides","Organometallics","2013","32","11","3145","","10.1021/om400236x","","","0.7107","MoKα","","0.0993","0.05","","","0.0933","0.1102","","","","","","1.028","","","","has coordinates","243652","2020-10-21","18:00:00",""
"4089469","13.465","0.011","7.6229","0.0007","14.273","0.006","90","","99.74","0.09","90","","1443.9","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 S2 Si -","- C15 H16 S2 Si -","- C60 H64 S8 Si4 -","4","1","","Durka, Krzysztof; Kliś, Tomasz; Serwatowski, Janusz; Woźniak, Krzysztof","Influence of the Silyl Group on the Reactivity of Some Ortho-Lithiated Aryl Alkyl Sulfides","Organometallics","2013","32","11","3145","","10.1021/om400236x","","","0.71073","MoKα","","0.1121","0.0577","","","0.1311","0.1822","","","","","","1.01","","","","has coordinates","243652","2020-10-21","18:00:00",""
"4089470","25.228","0.003","8.8195","0.0009","9.5685","0.001","90","","99.183","0.002","90","","2101.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 B F4 Fe2 N3 -","- C23 H22 B F4 Fe2 N3 -","- C92 H88 B4 F16 Fe8 N12 -","4","1","","Romero, Tomás; Orenes, Raúl A.; Tárraga, Alberto; Molina, Pedro","Preparation, Structural Characterization, Electrochemistry, and Sensing Properties toward Anions and Cations of Ferrocene-Triazole Derivatives","Organometallics","2013","32","20","5740","","10.1021/om4002457","","","0.71073","MoKα","","0.0481","0.0374","","","0.0857","0.0902","","","","","","1.04","","","","has coordinates","243653","2020-10-21","18:00:00",""
"4089471","5.6746","0.0014","12.386","0.003","13.467","0.003","90","","99.211","0.004","90","","934.3","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 Fe N3 -","- C26 H19 Fe N3 -","- C52 H38 Fe2 N6 -","2","1","","Romero, Tomás; Orenes, Raúl A.; Tárraga, Alberto; Molina, Pedro","Preparation, Structural Characterization, Electrochemistry, and Sensing Properties toward Anions and Cations of Ferrocene-Triazole Derivatives","Organometallics","2013","32","20","5740","","10.1021/om4002457","","","0.71073","MoKα","","0.0254","0.0247","","","0.063","0.0635","","","","","","1.09","","","","has coordinates","243653","2020-10-21","18:00:00",""
"4089472","14.931","0.006","10.565","0.004","15.452","0.007","90","","108.123","0.007","90","","2316.6","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 B F4 Fe N3 -","- C27 H22 B F4 Fe N3 -","- C108 H88 B4 F16 Fe4 N12 -","4","1","","Romero, Tomás; Orenes, Raúl A.; Tárraga, Alberto; Molina, Pedro","Preparation, Structural Characterization, Electrochemistry, and Sensing Properties toward Anions and Cations of Ferrocene-Triazole Derivatives","Organometallics","2013","32","20","5740","","10.1021/om4002457","","","0.71073","MoKα","","0.095","0.0608","","","0.1281","0.1426","","","","","","1.088","","","","has coordinates,has disorder","243653","2020-10-21","18:00:00",""
"4089473","5.7252","0.0014","11.784","0.003","24.059","0.006","90","","92.059","0.004","90","","1622.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 Fe N5 O -","- C20 H15 Fe N5 O -","- C80 H60 Fe4 N20 O4 -","4","1","","Romero, Tomás; Orenes, Raúl A.; Tárraga, Alberto; Molina, Pedro","Preparation, Structural Characterization, Electrochemistry, and Sensing Properties toward Anions and Cations of Ferrocene-Triazole Derivatives","Organometallics","2013","32","20","5740","","10.1021/om4002457","","","0.71073","MoKα","","0.0419","0.0362","","","0.0891","0.0929","","","","","","1.067","","","","has coordinates","243653","2020-10-21","18:00:00",""
"4089474","16.1599","0.0016","11.8083","0.0011","10.6206","0.001","90","","96.503","0.002","90","","2013.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Fe N3 -","- C28 H19 Fe N3 -","- C112 H76 Fe4 N12 -","4","1","","Romero, Tomás; Orenes, Raúl A.; Tárraga, Alberto; Molina, Pedro","Preparation, Structural Characterization, Electrochemistry, and Sensing Properties toward Anions and Cations of Ferrocene-Triazole Derivatives","Organometallics","2013","32","20","5740","","10.1021/om4002457","","","0.71073","MoKα","","0.0665","0.0579","","","0.1223","0.1263","","","","","","1.206","","","","has coordinates","243653","2020-10-21","18:00:00",""
"4089475","12.391","0.003","16.312","0.003","19.51","0.004","83.778","0.004","75.278","0.003","78.357","0.004","3728.7","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H61 Cl5 Fe6 N18 Ni O8 -","- C73 H61 Cl5 Fe6 N18 Ni O8 -","- C146 H122 Cl10 Fe12 N36 Ni2 O16 -","2","1","","Romero, Tomás; Orenes, Raúl A.; Tárraga, Alberto; Molina, Pedro","Preparation, Structural Characterization, Electrochemistry, and Sensing Properties toward Anions and Cations of Ferrocene-Triazole Derivatives","Organometallics","2013","32","20","5740","","10.1021/om4002457","","","0.71073","MoKα","","0.0609","0.0502","","","0.1298","0.1384","","","","","","1.018","","","","has coordinates,has disorder","243653","2020-10-21","18:00:00",""
"4089476","7.3239","0.0015","10.751","0.002","13.812","0.002","85.835","0.011","78.07","0.008","89.634","0.012","1061.2","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H27 Cl P2 -","- C24 H27 Cl P2 -","- C48 H54 Cl2 P4 -","2","1","","Ray, Matthew J.; Slawin, Alexandra M. Z.; Bühl, Michael; Kilian, Petr","peri-Substituted Phosphino-Phosphonium Salts: Synthesis and Reactivity","Organometallics","2013","32","12","3481","","10.1021/om400259h","","","0.71073","MoKα","","0.053","0.0462","","","0.1321","0.1419","","","","","","0.688","","","","has coordinates","243654","2020-10-21","18:00:00",""
"4089477","7.505","0.002","19.46","0.005","18.17","0.005","90","","93.657","0.006","90","","2648.3","1.2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H32.5 Cl Fe N0.5 P2 -","- C29 H32.5 Cl Fe N0.5 P2 -","- C116 H130 Cl4 Fe4 N2 P8 -","4","1","","Ray, Matthew J.; Slawin, Alexandra M. Z.; Bühl, Michael; Kilian, Petr","peri-Substituted Phosphino-Phosphonium Salts: Synthesis and Reactivity","Organometallics","2013","32","12","3481","","10.1021/om400259h","","","0.71075","MoKα","","","0.0582","","","","0.1567","","","","","","1.113","","","","has coordinates","243654","2020-10-21","18:00:00",""
"4089478","42.31","0.02","5.891","0.003","21.416","0.009","90","","120.118","0.009","90","","4617","4","93","","93","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Fe P2 -","- C28 H32 Fe P2 -","- C224 H256 Fe8 P16 -","8","1","","Ray, Matthew J.; Slawin, Alexandra M. Z.; Bühl, Michael; Kilian, Petr","peri-Substituted Phosphino-Phosphonium Salts: Synthesis and Reactivity","Organometallics","2013","32","12","3481","","10.1021/om400259h","","","0.71075","MoKα","","","0.0582","","","","0.1615","","","","","","1.122","","","","has coordinates","243654","2020-10-21","18:00:00",""
"4089479","11.991","0.003","13.327","0.003","14.827","0.003","90","","90","","90","","2369.4","0.9","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 Cl2 P2 Pt -","- C24 H28 Cl2 P2 Pt -","- C96 H112 Cl8 P8 Pt4 -","4","1","","Ray, Matthew J.; Slawin, Alexandra M. Z.; Bühl, Michael; Kilian, Petr","peri-Substituted Phosphino-Phosphonium Salts: Synthesis and Reactivity","Organometallics","2013","32","12","3481","","10.1021/om400259h","","","0.71075","MoKα","","","0.0289","","","","0.0409","","","","","","1","","","","has coordinates","243654","2020-10-21","18:00:00",""
"4089480","10.1942","0.0017","11.561","0.002","25.062","0.005","90","","92.122","0.005","90","","2951.7","0.9","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Cl2 Fe N P2 Pt -","- C30 H35 Cl2 Fe N P2 Pt -","- C120 H140 Cl8 Fe4 N4 P8 Pt4 -","4","1","","Ray, Matthew J.; Slawin, Alexandra M. Z.; Bühl, Michael; Kilian, Petr","peri-Substituted Phosphino-Phosphonium Salts: Synthesis and Reactivity","Organometallics","2013","32","12","3481","","10.1021/om400259h","","","0.71075","MoKα","","","0.0389","","","","0.0892","","","","","","1.036","","","","has coordinates","243654","2020-10-21","18:00:00",""
"4089481","16.842","0.002","14.759","0.003","21.708","0.003","90","","90","","90","","5396","1.5","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H30 Mo O4 P2 -","- C29 H30 Mo O4 P2 -","- C232 H240 Mo8 O32 P16 -","8","1","","Ray, Matthew J.; Slawin, Alexandra M. Z.; Bühl, Michael; Kilian, Petr","peri-Substituted Phosphino-Phosphonium Salts: Synthesis and Reactivity","Organometallics","2013","32","12","3481","","10.1021/om400259h","","","0.71075","MoKα","","","0.0577","","","","0.119","","","","","","1.278","","","","has coordinates","243654","2020-10-21","18:00:00",""
"4089482","10.149","0.005","18.462","0.008","16.847","0.008","90","","103.804","0.011","90","","3065","2","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 Fe Mo O4 P2 -","- C33 H34 Fe Mo O4 P2 -","- C132 H136 Fe4 Mo4 O16 P8 -","4","1","","Ray, Matthew J.; Slawin, Alexandra M. Z.; Bühl, Michael; Kilian, Petr","peri-Substituted Phosphino-Phosphonium Salts: Synthesis and Reactivity","Organometallics","2013","32","12","3481","","10.1021/om400259h","","","0.71075","MoKα","","","0.1814","","","","0.464","","","","","","1.256","","","","has coordinates","243654","2020-10-21","18:00:00",""
"4089483","12.9017","0.0014","20.347","0.002","25.577","0.003","70.864","0.003","86.826","0.003","74.241","0.003","6100.6","1.2","200","2","200","2","","","","","","","","8","P -1","-P 1","2","B1 in manuscript","","","- C54.5 H60 B Cl F24 Ni O2 P2 -","- C54.5 H60 B Cl F24 Ni O2 P2 -","- C218 H240 B4 Cl4 F96 Ni4 O8 P8 -","4","2","","Plessow, Philipp N.; Weigel, Laura; Lindner, Ronald; Schäfer, Ansgar; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Mechanistic Details of the Nickel-Mediated Formation of Acrylates from CO2, Ethylene and Methyl Iodide","Organometallics","2013","32","11","3327","","10.1021/om400262b","","","0.71073","MoKα","","0.1651","0.0754","","","0.1822","0.229","","","","","","1.02","","","","has coordinates,has disorder","243655","2020-10-21","18:00:00",""
"4089484","18.8623","0.0015","24.459","0.002","25.783","0.002","90","","90","","90","","11895.1","1.6","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","B6 in manuscript","","","- C54 H59 B F24 Ni O2 P2 -","- C54 H59 B F24 Ni O2 P2 -","- C432 H472 B8 F192 Ni8 O16 P16 -","8","1","","Plessow, Philipp N.; Weigel, Laura; Lindner, Ronald; Schäfer, Ansgar; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Mechanistic Details of the Nickel-Mediated Formation of Acrylates from CO2, Ethylene and Methyl Iodide","Organometallics","2013","32","11","3327","","10.1021/om400262b","","","0.71073","MoKα","","0.0854","0.0507","","","0.1148","0.1345","","","","","","1.02","","","","has coordinates,has disorder","243655","2020-10-21","18:00:00",""
"4089485","8.074","0.0009","22.595","0.003","13.9661","0.0016","90","","94.095","0.002","90","","2541.4","0.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","D in manuscript","","","- C22 H46 Ni O2 P2 -","- C22 H46 Ni O2 P2 -","- C88 H184 Ni4 O8 P8 -","4","1","","Plessow, Philipp N.; Weigel, Laura; Lindner, Ronald; Schäfer, Ansgar; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Mechanistic Details of the Nickel-Mediated Formation of Acrylates from CO2, Ethylene and Methyl Iodide","Organometallics","2013","32","11","3327","","10.1021/om400262b","","","0.71073","MoKα","","0.0559","0.0374","","","0.0813","0.0895","","","","","","1.03","","","","has coordinates","243655","2020-10-21","18:00:00",""
"4089486","12.6924","0.0005","18.3585","0.0007","25.7549","0.001","86.316","0.001","88.748","0.001","88.911","0.001","5986.5","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","E3 in manuscript","","","- C53 H57 B F24 Ni O2 P2 -","- C53 H57 B F24 Ni O2 P2 -","- C212 H228 B4 F96 Ni4 O8 P8 -","4","2","","Plessow, Philipp N.; Weigel, Laura; Lindner, Ronald; Schäfer, Ansgar; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Mechanistic Details of the Nickel-Mediated Formation of Acrylates from CO2, Ethylene and Methyl Iodide","Organometallics","2013","32","11","3327","","10.1021/om400262b","","","0.71073","MoKα","","0.1245","0.0617","","","0.1303","0.1577","","","","","","1.021","","","","has coordinates,has disorder","243655","2020-10-21","18:00:00",""
"4089487","15.5722","0.0001","21.561","0.0003","36.5134","0.0005","90","","90","","90","","12259.5","0.3","200","2","200","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C55 H59 B F24 O4 P2 Pd -","- C55 H59 B F24 O4 P2 Pd -","- C440 H472 B8 F192 O32 P16 Pd8 -","8","1","","Plessow, Philipp N.; Weigel, Laura; Lindner, Ronald; Schäfer, Ansgar; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Mechanistic Details of the Nickel-Mediated Formation of Acrylates from CO2, Ethylene and Methyl Iodide","Organometallics","2013","32","11","3327","","10.1021/om400262b","","","0.71073","MoKα","","0.1478","0.0541","","","0.0971","0.1291","","","","","","0.995","","","","has coordinates,has disorder","243655","2020-10-21","18:00:00",""
"4089488","15.5152","0.0003","21.4383","0.0004","36.5536","0.0006","90","","90","","90","","12158.4","0.4","200","2","200","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C55 H59 B F24 Ni O4 P2 -","- C55 H59 B F24 Ni O4 P2 -","- C440 H472 B8 F192 Ni8 O32 P16 -","8","1","","Plessow, Philipp N.; Weigel, Laura; Lindner, Ronald; Schäfer, Ansgar; Rominger, Frank; Limbach, Michael; Hofmann, Peter","Mechanistic Details of the Nickel-Mediated Formation of Acrylates from CO2, Ethylene and Methyl Iodide","Organometallics","2013","32","11","3327","","10.1021/om400262b","","","0.71073","MoKα","","0.1147","0.0513","","","0.0985","0.1236","","","","","","1.013","","","","has coordinates,has disorder","243655","2020-10-21","18:00:00",""
"4089489","18.949","0.002","13.064","0.0018","27.66","0.004","90","","90","","90","","6847.2","1.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C66 H72 Ag2 F12 N13 O P2 -","- C66 H72 Ag2 F12 N13 O P2 -","- C264 H288 Ag8 F48 N52 O4 P8 -","4","1","","Liu, Qing-Xiang; Yao, Zhao-Quan; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Xiu-Guang","NHC Metal (Silver, Mercury, and Nickel) Complexes Based on Quinoxaline‒Dibenzimidazolium Salts: Synthesis, Structural Studies, and Fluorescent Chemosensors for Cu2+by Charge Transfer","Organometallics","2013","32","12","3493","","10.1021/om400277z","","","0.71073","MoKα","","0.0411","0.0371","","","0.0915","0.0944","","","","","","1.056","","","","has coordinates","243656","2020-10-21","18:00:00",""
"4089490","13.077","0.0014","13.8243","0.0015","14.1915","0.0015","87.285","0.002","72.104","0.002","68.949","0.002","2272.7","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H96 F12 Hg2 N12 O11 P2 -","- C64 H70 F12 Hg2 N12 O9 P2 -","- C64 H70 F12 Hg2 N12 O9 P2 -","1","0.5","","Liu, Qing-Xiang; Yao, Zhao-Quan; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Xiu-Guang","NHC Metal (Silver, Mercury, and Nickel) Complexes Based on Quinoxaline‒Dibenzimidazolium Salts: Synthesis, Structural Studies, and Fluorescent Chemosensors for Cu2+by Charge Transfer","Organometallics","2013","32","12","3493","","10.1021/om400277z","","","0.71073","MoKα","","0.0393","0.0349","","","0.0966","0.0987","","","","","","1.064","","","","has coordinates,has disorder","243656","2020-10-21","18:00:00",""
"4089491","18.123","0.002","23.008","0.003","17.2234","0.0019","90","","90","","90","","7181.7","1.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Ag F6 N8 O P -","- C36 H30 Ag F6 N8 O P -","- C288 H240 Ag8 F48 N64 O8 P8 -","8","1","","Liu, Qing-Xiang; Yao, Zhao-Quan; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Xiu-Guang","NHC Metal (Silver, Mercury, and Nickel) Complexes Based on Quinoxaline‒Dibenzimidazolium Salts: Synthesis, Structural Studies, and Fluorescent Chemosensors for Cu2+by Charge Transfer","Organometallics","2013","32","12","3493","","10.1021/om400277z","","","0.71073","MoKα","","0.0853","0.0795","","","0.1937","0.1971","","","","","","1.073","","","","has coordinates,has disorder","243656","2020-10-21","18:00:00",""
"4089492","17.979","0.008","31.232","0.019","15.858","0.007","90","","90","","90","","8905","8","173","2","173","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C80 H88 Cl8 N16 Ni4 O8 S4 -","- C80 H84 Cl8 N16 Ni4 O8 S4 -","- C320 H336 Cl32 N64 Ni16 O32 S16 -","4","0.25","","Liu, Qing-Xiang; Yao, Zhao-Quan; Zhao, Xiao-Jun; Zhao, Zhi-Xiang; Wang, Xiu-Guang","NHC Metal (Silver, Mercury, and Nickel) Complexes Based on Quinoxaline‒Dibenzimidazolium Salts: Synthesis, Structural Studies, and Fluorescent Chemosensors for Cu2+by Charge Transfer","Organometallics","2013","32","12","3493","","10.1021/om400277z","","","0.71073","MoKα","","0.1574","0.1331","","","0.277","0.2939","","","","","","1.16","","","","has coordinates,has disorder","243656","2020-10-21","18:00:00",""
"4089493","12.293","0.006","8.458","0.004","15.964","0.008","90","","90.93","0.03","90","","1659.6","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 Pd S2 -","- C16 H20 N2 Pd S2 -","- C64 H80 N8 Pd4 S8 -","4","1","","Luo, Jia; Rath, Nigam P.; Mirica, Liviu M.","Oxidative Reactivity of (N2S2)PdRX Complexes (R = Me, Cl; X = Me, Cl, Br): Involvement of Palladium(III) and Palladium(IV) Intermediates","Organometallics","2013","32","11","3343","","10.1021/om400286j","","","0.71073","MoKα","","0.053","0.0436","","","0.1217","0.1268","","","","","","1.176","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4089494","15.2927","0.0008","17.3479","0.0009","9.7829","0.0005","90","","90","","90","","2595.4","0.2","100","2","100","2","","","","","","","","8","I m m a","-I 2b 2","74","","","","- C76 H104 F48 N8 O4 P8 Pd4 S8 -","- C74 H104 F48 N8 O4 P8 Pd4 S8 -","- C74 H104 F48 N8 O4 P8 Pd4 S8 -","1","0.0625","","Luo, Jia; Rath, Nigam P.; Mirica, Liviu M.","Oxidative Reactivity of (N2S2)PdRX Complexes (R = Me, Cl; X = Me, Cl, Br): Involvement of Palladium(III) and Palladium(IV) Intermediates","Organometallics","2013","32","11","3343","","10.1021/om400286j","","","0.71073","MoKα","","0.072","0.0702","","","0.2141","0.2152","","","","","","1.067","","","","has coordinates,has disorder","243657","2020-10-21","18:00:00",""
"4089495","8.3576","0.0004","15.8701","0.0009","23.235","0.0013","106.125","0.003","91.626","0.003","99.216","0.003","2913.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C15 H14 Cl F3 N2 O3 Pd S3 -","- C15 H14 Cl F3 N2 O3 Pd S3 -","- C90 H84 Cl6 F18 N12 O18 Pd6 S18 -","6","3","","Luo, Jia; Rath, Nigam P.; Mirica, Liviu M.","Oxidative Reactivity of (N2S2)PdRX Complexes (R = Me, Cl; X = Me, Cl, Br): Involvement of Palladium(III) and Palladium(IV) Intermediates","Organometallics","2013","32","11","3343","","10.1021/om400286j","","","0.71073","MoKα","","0.0462","0.0313","","","0.063","0.0747","","","","","","1.15","","","","has coordinates","243657","2020-10-21","18:00:00",""
"4089496","18.8584","0.0003","16.0547","0.0003","20.9696","0.0004","90","","90","","90","","6348.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","in paper 2a","","","- C36 H38 B F3 Ni P2 -","- C36 H38 B F3 Ni P2 -","- C288 H304 B8 F24 Ni8 P16 -","8","1","","Gutsulyak, Dmitry V.; Gott, Andrew L.; Piers, Warren E.; Parvez, Masood","Dimerization of Ethylene by Nickel Phosphino‒Borate Complexes","Organometallics","2013","32","11","3363","","10.1021/om400288u","","","0.71073","MoKα","","0.0784","0.0527","","","0.1086","0.1249","","","","","","1.053","","","","has coordinates","243658","2020-10-21","18:00:00",""
"4089497","9.2957","0.0002","15.6947","0.0005","16.865","0.0005","90","","90.285","0.002","90","","2460.46","0.12","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","in paper 3a","","","- C25 H32 B F3 N Ni P -","- C25 H32 B F3 N Ni P -","- C100 H128 B4 F12 N4 Ni4 P4 -","4","1","","Gutsulyak, Dmitry V.; Gott, Andrew L.; Piers, Warren E.; Parvez, Masood","Dimerization of Ethylene by Nickel Phosphino‒Borate Complexes","Organometallics","2013","32","11","3363","","10.1021/om400288u","","","0.71073","MoKα","","0.0645","0.0482","","","0.104","0.1156","","","","","","1.084","","","","has coordinates","243658","2020-10-21","18:00:00",""
"4089498","8.8931","0.0002","27.1346","0.0007","18.1564","0.0005","90","","96.0443","0.0009","90","","4356.98","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","in paper 4a","","","- C47 H52 B F3 N2 Ni P2 -","- C47 H52 B F3 N2 Ni P2 -","- C188 H208 B4 F12 N8 Ni4 P8 -","4","1","","Gutsulyak, Dmitry V.; Gott, Andrew L.; Piers, Warren E.; Parvez, Masood","Dimerization of Ethylene by Nickel Phosphino‒Borate Complexes","Organometallics","2013","32","11","3363","","10.1021/om400288u","","","0.71073","MoKα","","0.0799","0.06","","","0.1124","0.1228","","","","","","1.122","","","","has coordinates,has disorder","243658","2020-10-21","18:00:00",""
"4089499","11.0642","0.0002","9.9079","0.0002","16.0189","0.0004","90","","90","","90","","1756.04","0.06","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H22 I N2 P Pt -","- C15 H22 I N2 P Pt -","- C60 H88 I4 N8 P4 Pt4 -","4","1","","Maidich, Luca; Zucca, Antonio; Clarkson, Guy J.; Rourke, Jonathan P.","Oxidative Addition of MeI to a Rollover Complex of Platinum(II): Isolation of the Kinetic Product","Organometallics","2013","32","11","3371","","10.1021/om400300n","","","0.71073","MoKα","","0.0357","0.0337","","","0.0887","0.0906","","","","","","1.061","","","","has coordinates","243659","2020-10-21","18:00:00",""
"4089500","10.5381","0.0008","9.2048","0.0007","13.212","0.0005","90","","93.336","0.004","90","","1279.41","0.15","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Mo O2 -","- C15 H14 Mo O2 -","- C60 H56 Mo4 O8 -","4","1","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.053","0.0351","","","0.0672","0.0742","","","","","","1.111","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4089501","9.272","0.0004","13.5779","0.0006","12.6011","0.0006","90","","118","0.004","90","","1400.71","0.12","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Mo O2 -","- C16 H16 Mo O2 -","- C64 H64 Mo4 O8 -","4","1","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.0505","0.0344","","","0.0731","0.0809","","","","","","1.102","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4089502","8.076","0.0003","8.059","0.0003","19.1911","0.0007","90","","113.636","0.003","90","","1144.26","0.08","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl2 Mo2 O4 -","- C24 H18 Cl2 Mo2 O4 -","- C48 H36 Cl4 Mo4 O8 -","2","0.5","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.0374","0.0274","","","0.058","0.0636","","","","","","1.11","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4089503","17.8084","0.0007","10.783","0.0003","14.1192","0.0004","90","","110.691","0.003","90","","2536.4","0.15","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Cl2 Mo2 O4 -","- C26 H22 Cl2 Mo2 O4 -","- C104 H88 Cl8 Mo8 O16 -","4","0.5","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.0246","0.0207","","","0.0521","0.0557","","","","","","1.15","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4089504","11.13","0.0006","6.304","0.0002","20.0651","0.0016","90","","96.324","0.005","90","","1399.27","0.14","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Mo O2 -","- C17 H14 Mo O2 -","- C68 H56 Mo4 O8 -","4","1","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.0347","0.0265","","","0.0599","0.0645","","","","","","1.091","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4089505","7.964","0.0005","17.3059","0.0012","12.869","0.0003","90","","123.465","0.005","90","","1479.63","0.17","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Mo O2 -","- C18 H16 Mo O2 -","- C72 H64 Mo4 O8 -","4","1","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.0343","0.0259","","","0.0576","0.0627","","","","","","1.126","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4089506","6.564","0.0003","11.845","0.0006","13.0911","0.0005","90","","109.471","0.004","90","","959.63","0.08","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Cl Mo O3 -","- C8 H5 Cl Mo O3 -","- C32 H20 Cl4 Mo4 O12 -","4","1","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.0565","0.0409","","","0.088","0.1011","","","","","","1.108","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4089507","14.785","0.0008","10.2589","0.0007","12.419","0.0009","90","","91.446","0.005","90","","1883.1","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl5 Mo3 O2 -","- C15 H15 Cl5 Mo3 O2 -","- C60 H60 Cl20 Mo12 O8 -","4","1","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.06","0.0382","","","0.066","0.0733","","","","","","1.137","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4089508","13.341","0.0006","6.291","0.0004","19.7231","0.0007","90","","112.192","0.004","90","","1532.7","0.14","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Mo O4 -","- C18 H14 Mo O4 -","- C72 H56 Mo4 O16 -","4","1","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.0338","0.0248","","","0.0528","0.0587","","","","","","1.109","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4089509","13.4278","0.0004","9.6691","0.0006","13.901","0.0005","90","","90","","90","","1804.83","0.14","150","1","150","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H16 Mo O6 -","- C20 H16 Mo O6 -","- C80 H64 Mo4 O24 -","4","1","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.042","0.0312","","","0.0627","0.0678","","","","","","1.137","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4089510","17.6009","0.001","8.481","0.0003","14.8301","0.0009","90","","95.912","0.005","90","","2202","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 B9 Mo O2 S -","- C17 H27 B9 Mo O2 S -","- C68 H108 B36 Mo4 O8 S4 -","4","1","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.0475","0.0323","","","0.0666","0.0751","","","","","","1.113","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4089511","8.181","0.0003","9.3249","0.0004","14.5331","0.0007","73.16","0.004","83.761","0.003","66.326","0.003","971.81","0.08","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 B Mo N6 O2 -","- C20 H17 B Mo N6 O2 -","- C40 H34 B2 Mo2 N12 O4 -","2","1","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.031","0.0254","","","0.0579","0.0612","","","","","","1.092","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4089512","10.25","0.0005","12.0811","0.0007","13.716","0.0005","67.442","0.004","79.796","0.003","76.465","0.005","1517.72","0.14","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H39 B Mo N6 O3 -","- C30 H39 B Mo N6 O3 -","- C60 H78 B2 Mo2 N12 O6 -","2","1","","Honzíček, Jan; Vinklárek, Jaromír; Erben, Milan; Lodinský, Jakub; Dostál, Libor; Padělková, Zdeňka","Toward the Synthesis of Indenyl Molybdenum Compound [(η3-Ind)(η5-Cp)Mo(CO)2]: Modified Compounds and Structure of a Previously Unrecognized Intermediate","Organometallics","2013","32","12","3502","","10.1021/om400305z","","","0.71073","MoKα","","0.0307","0.0252","","","0.0592","0.0631","","","","","","1.095","","","","has coordinates","243660","2020-10-21","18:00:00",""
"4089513","7.3069","0.0001","19.8442","0.0003","23.0312","0.0003","90","","90","","90","","3339.51","0.08","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Au N3 O2 -","- C18 H18 Au N3 O2 -","- C144 H144 Au8 N24 O16 -","8","1","","Schaper, Lars-Arne; Wei, Xuhui; Hock, Sebastian J.; Pöthig, Alexander; Öfele, Karl; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E.","Gold(I) Complexes with “Normal” 1,2,3-Triazolylidene Ligands: Synthesis and Catalytic Properties","Organometallics","2013","32","11","3376","","10.1021/om400318p","","x-ray","0.71073","MoKα","","0.0261","0.0167","","","0.0301","0.0322","","","","","","1.031","","","","has coordinates","243661","2020-10-21","18:00:00",""
"4089514","11.6548","0.0004","11.9418","0.0004","13.7014","0.0005","97.381","0.002","108.494","0.001","114.191","0.001","1574.32","0.1","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Au F6 N6 Sb -","- C32 H30 Au F6 N6 Sb -","- C64 H60 Au2 F12 N12 Sb2 -","2","1","","Schaper, Lars-Arne; Wei, Xuhui; Hock, Sebastian J.; Pöthig, Alexander; Öfele, Karl; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E.","Gold(I) Complexes with “Normal” 1,2,3-Triazolylidene Ligands: Synthesis and Catalytic Properties","Organometallics","2013","32","11","3376","","10.1021/om400318p","","x-ray","0.71073","MoKα","","0.0142","0.0139","","","0.0359","0.0361","","","","","","1.123","","","","has coordinates","243661","2020-10-21","18:00:00",""
"4089515","9.7218","0.0006","17.9719","0.0011","22.2856","0.0013","90","","90","","90","","3893.7","0.4","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Au Cl N3 -","- C21 H23 Au Cl N3 -","- C168 H184 Au8 Cl8 N24 -","8","1","","Schaper, Lars-Arne; Wei, Xuhui; Hock, Sebastian J.; Pöthig, Alexander; Öfele, Karl; Cokoja, Mirza; Herrmann, Wolfgang A.; Kühn, Fritz E.","Gold(I) Complexes with “Normal” 1,2,3-Triazolylidene Ligands: Synthesis and Catalytic Properties","Organometallics","2013","32","11","3376","","10.1021/om400318p","","x-ray","0.71073","MoKα","","0.03","0.0157","","","0.0255","0.0272","","","","","","1.02","","","","has coordinates","243661","2020-10-21","18:00:00",""
"4089516","9.892","0.003","15.484","0.005","17.079","0.006","90","","90","","90","","2616","1.5","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H38 N4 Zn -","- C28 H38 N4 Zn -","- C112 H152 N16 Zn4 -","4","1","","Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Lara-Sánchez, Agust\?ín; Tejeda, Juan; Carrión, Mar\?ía P.; Mart\?ínez-Ferrer, Jaime; Garcés, Andrés; Rodr\?íguez, Ana M.","Efficient Synthesis of an Unprecedented Enantiopure Hybrid Scorpionate/Cyclopentadienyl by Diastereoselective Nucleophilic Addition to a Fulvene","Organometallics","2013","32","12","3437","","10.1021/om4003279","","","0.71073","MoKα","","0.1153","0.0623","","","0.1257","0.1499","","","","","","0.988","","","","has coordinates","243662","2020-10-21","18:00:00",""
"4089517","12.2509","0.0002","8.0628","0.0001","15.5122","0.0002","90","","99.614","0.001","90","","1510.72","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Co N -","- C18 H24 Co N -","- C72 H96 Co4 N4 -","4","1","","Thiel, Indre; Lamač, Martin; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","Synthesis and Catalytic Activity of [Cp′Co(COD)] Complexes Bearing Pendant N-Containing Groups","Organometallics","2013","32","11","3415","","10.1021/om400330x","","","0.71073","MoKα","","0.0263","0.023","","","0.0598","0.0616","","","","","","1.046","","","","has coordinates","243663","2020-10-21","18:00:00",""
"4089518","12.2419","0.0004","8.5981","0.0003","21.1773","0.0007","90","","105.47","0.002","90","","2148.3","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Co N -","- C26 H36 Co N -","- C104 H144 Co4 N4 -","4","1","","Thiel, Indre; Lamač, Martin; Jiao, Haijun; Spannenberg, Anke; Hapke, Marko","Synthesis and Catalytic Activity of [Cp′Co(COD)] Complexes Bearing Pendant N-Containing Groups","Organometallics","2013","32","11","3415","","10.1021/om400330x","","","0.71073","MoKα","","0.0452","0.0323","","","0.0769","0.0851","","","","","","1.078","","","","has coordinates","243663","2020-10-21","18:00:00",""
"4089519","13.744","0.002","13.865","0.002","14.555","0.002","85.671","0.003","84.162","0.003","83.843","0.003","2737.5","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H71 O2.5 P2 Pd -","- C65 H71 O2.5 P2 Pd -","- C130 H142 O5 P4 Pd2 -","2","1","","Harding, Brennen A.; Melvin, Patrick R.; Dougherty, William; Kassel, Scott; Goodson, Felix E.","Capturing a Ghost. Synthesis and Structural Characterization of Pd(dba)[P(o-Tol)3]2","Organometallics","2013","32","12","3570","","10.1021/om400335a","","","0.71073","MoKα","","0.0729","0.0421","","","0.0806","0.0913","","","","","","1.016","","","","has coordinates,has disorder","243664","2020-10-21","18:00:00",""
"4089520","6.5444","0.0006","16.0574","0.0018","12.0939","0.0019","90","","99.452","0.007","90","","1253.6","0.3","193","1","193","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Sb2 -","- C8 H20 Sb2 -","- C32 H80 Sb8 -","4","1","","Schulz, Stephan; Heimann, Stefan; Kuczkowski, Andreas; Bläser, Dieter; Wölper, Christoph","The Origin of Thermochromic Behavior in Distibines: Still an Open Question","Organometallics","2013","32","11","3391","","10.1021/om4003413","","","0.71073","MoKα","","0.1318","0.0596","","","0.1328","0.1706","","","","","","0.953","","","","has coordinates","243665","2020-10-21","18:00:00",""
"4089521","7.0592","0.0011","9.4325","0.0015","11.7653","0.0019","106.694","0.002","102.64","0.003","101.147","0.003","704.16","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl3 N2 Sn -","- C12 H9 Cl3 N2 Sn -","- C24 H18 Cl6 N4 Sn2 -","2","1","","Chandrasekhar, Vadapalli; Metre, Ramesh K.; Biswas, Sourav","Stabilizing the [RSn(μ2-O)SnR] Motif through Intramolecular N→Sn Coordination. Synthesis and Characterization of [(RSn)2(μ2-O)(μ2-FcCOO)2(η-FcCOO)2]·THF and {(RSn)2(μ2-O)[(t-BuO)2PO2]2Cl2}·THF·2H2O (R = 2-(Phenylazo)phenyl)","Organometallics","2013","32","11","3419","","10.1021/om400346b","","","0.71073","MoKα","","0.0311","0.0289","","","0.0757","0.0785","","","","","","1.041","","","","has coordinates","243666","2020-10-21","18:00:00",""
"4089522","10.997","0.005","11.182","0.004","25.993","0.005","93.615","0.005","94.052","0.004","98.324","0.005","3146","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H62 Fe4 N4 O10 Sn2 -","- C72 H62 Fe4 N4 O10 Sn2 -","- C144 H124 Fe8 N8 O20 Sn4 -","2","1","","Chandrasekhar, Vadapalli; Metre, Ramesh K.; Biswas, Sourav","Stabilizing the [RSn(μ2-O)SnR] Motif through Intramolecular N→Sn Coordination. Synthesis and Characterization of [(RSn)2(μ2-O)(μ2-FcCOO)2(η-FcCOO)2]·THF and {(RSn)2(μ2-O)[(t-BuO)2PO2]2Cl2}·THF·2H2O (R = 2-(Phenylazo)phenyl)","Organometallics","2013","32","11","3419","","10.1021/om400346b","","","0.71069","MoKα","","0.111","0.0761","","","0.1791","0.2006","","","","","","1.054","","","","has coordinates","243666","2020-10-21","18:00:00",""
"4089523","11.542","0.005","14.83","0.005","16.783","0.005","80.917","0.005","89.877","0.005","80.158","0.005","2794","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H54 Cl2 N4 O9 P2 Sn2 -","- C40 H54 Cl2 N4 O9 P2 Sn2 -","- C80 H108 Cl4 N8 O18 P4 Sn4 -","2","1","","Chandrasekhar, Vadapalli; Metre, Ramesh K.; Biswas, Sourav","Stabilizing the [RSn(μ2-O)SnR] Motif through Intramolecular N→Sn Coordination. Synthesis and Characterization of [(RSn)2(μ2-O)(μ2-FcCOO)2(η-FcCOO)2]·THF and {(RSn)2(μ2-O)[(t-BuO)2PO2]2Cl2}·THF·2H2O (R = 2-(Phenylazo)phenyl)","Organometallics","2013","32","11","3419","","10.1021/om400346b","","","0.71069","MoKα","","0.0859","0.0675","","","0.1968","0.2193","","","","","","1.004","","","","has coordinates","243666","2020-10-21","18:00:00",""
"4089524","10.4709","0.0001","13.8828","0.0002","16.3691","0.0002","90","","92.908","0.001","90","","2376.44","0.05","123","1","123","1","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 As O10 P W2 -","- C16 H16 As O10 P W2 -","- C64 H64 As4 O40 P4 W8 -","4","1","","Stubenhofer, Markus; Kuntz, Christian; Bodensteiner, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Versatile Reactivity of Bridged Pentelidene Complexes toward Secondary and Tertiary Phosphines","Organometallics","2013","32","12","3521","","10.1021/om400357y","","x-ray","1.54178","CuKα","","0.0529","0.048","","","0.1278","0.1315","","","","","","1.07","","","","has coordinates","243667","2020-10-21","18:00:00",""
"4089525","10.2346","0.0005","17.9981","0.0013","13.3072","0.0003","90","","104.963","0.003","90","","2368.1","0.2","123","1","123","1","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 As O10 P W2 -","- C17 H18 As O10 P W2 -","- C68 H72 As4 O40 P4 W8 -","4","1","","Stubenhofer, Markus; Kuntz, Christian; Bodensteiner, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Versatile Reactivity of Bridged Pentelidene Complexes toward Secondary and Tertiary Phosphines","Organometallics","2013","32","12","3521","","10.1021/om400357y","","x-ray","0.71073","MoKα","","0.0352","0.0251","","","0.0532","0.0551","","","","","","0.987","","","","has coordinates","243668","2020-10-21","18:00:00",""
"4089526","10.4303","0.0002","17.7418","0.0002","27.2397","0.0004","90","","90","","90","","5040.77","0.13","123","1","123","","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C22 H32 O5 P2 W -","- C22 H32 O5 P2 W -","- C176 H256 O40 P16 W8 -","8","1","","Stubenhofer, Markus; Kuntz, Christian; Bodensteiner, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Versatile Reactivity of Bridged Pentelidene Complexes toward Secondary and Tertiary Phosphines","Organometallics","2013","32","12","3521","","10.1021/om400357y","","x-ray","1.54184","CuKα","","0.0415","0.0312","","","0.0767","0.0794","","","","","","0.908","","","","has coordinates","243669","2020-10-21","18:00:00",""
"4089527","10.1037","0.0005","17.3031","0.0006","13.5435","0.0007","90","","98.577","0.005","90","","2341.27","0.19","123","1","123","","","","","","","","see text","5","C 1 c 1","C -2yc","9","","","","- C16 H16 O10 P2 W2 -","- C16 H16 O10 P2 W2 -","- C64 H64 O40 P8 W8 -","4","1","","Stubenhofer, Markus; Kuntz, Christian; Bodensteiner, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Versatile Reactivity of Bridged Pentelidene Complexes toward Secondary and Tertiary Phosphines","Organometallics","2013","32","12","3521","","10.1021/om400357y","","x-ray","1.54184","CuKα","","0.066","0.062","","","0.157","0.1618","","","","","","1.082","","","","has coordinates","243670","2020-10-21","18:00:00",""
"4089528","15.5609","0.0001","20.6512","0.0001","11.7678","0.0001","90","","96.886","0.001","90","","3754.32","0.04","123","1","123","1","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 As2 O15 P2 W3 -","- C27 H28 As2 O15 P2 W3 -","- C108 H112 As8 O60 P8 W12 -","4","1","","Stubenhofer, Markus; Kuntz, Christian; Bodensteiner, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Versatile Reactivity of Bridged Pentelidene Complexes toward Secondary and Tertiary Phosphines","Organometallics","2013","32","12","3521","","10.1021/om400357y","","x-ray","1.54178","CuKα","","0.0312","0.0267","","","0.0651","0.0671","","","","","","1.04","","","","has coordinates","243671","2020-10-21","18:00:00",""
"4089529","21.8086","0.0002","8.795","0.0001","16.1926","0.0001","90","","104.565","0.001","90","","3006.04","0.05","123","1","123","1","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H29 O10 P3 W2 -","- C22 H29 O10 P3 W2 -","- C88 H116 O40 P12 W8 -","4","0.5","","Stubenhofer, Markus; Kuntz, Christian; Bodensteiner, Michael; Timoshkin, Alexey Y.; Scheer, Manfred","Versatile Reactivity of Bridged Pentelidene Complexes toward Secondary and Tertiary Phosphines","Organometallics","2013","32","12","3521","","10.1021/om400357y","","x-ray","1.54178","CuKα","","0.0207","0.0182","","","0.0439","0.0448","","","","","","1.065","","","","has coordinates","243672","2020-10-21","18:00:00",""
"4089530","13.039","0.003","23.653","0.005","13.088","0.003","90","","106.87","0.03","90","","3862.8","1.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H63 Ge P Si8 -","- C22 H63 Ge P Si8 -","- C88 H252 Ge4 P4 Si32 -","4","1","","Hlina, Johann; Baumgartner, Judith; Marschner, Christoph; Albers, Lena; Müller, Thomas","Cyclic Disilylated and Digermylated Germylenes.","Organometallics","2013","32","11","3404","3410","10.1021/om400365v","","","0.71073","MoKα","","0.0639","0.0483","","","0.1096","0.117","","","","","","1.06","","","","has coordinates,has disorder","243673","2020-10-21","18:00:00",""
"4089531","9.7132","0.0019","21.392","0.004","19.039","0.004","90","","102.59","0.03","90","","3860.9","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H63 Ge3 P Si6 -","- C22 H63 Ge3 P Si6 -","- C88 H252 Ge12 P4 Si24 -","4","1","","Hlina, Johann; Baumgartner, Judith; Marschner, Christoph; Albers, Lena; Müller, Thomas","Cyclic Disilylated and Digermylated Germylenes.","Organometallics","2013","32","11","3404","3410","10.1021/om400365v","","","0.71073","MoKα","","0.1081","0.1035","","","0.2701","0.2721","","","","","","1.157","","","","has coordinates","243673","2020-10-21","18:00:00",""
"4089532","27.464","0.006","12.362","0.003","20.086","0.004","90","","112.87","0.03","90","","6283","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H96 Ge2 Si16 -","- C32 H96 Ge2 Si16 -","- C128 H384 Ge8 Si64 -","4","0.5","","Hlina, Johann; Baumgartner, Judith; Marschner, Christoph; Albers, Lena; Müller, Thomas","Cyclic Disilylated and Digermylated Germylenes.","Organometallics","2013","32","11","3404","3410","10.1021/om400365v","","","0.71073","MoKα","","0.1263","0.0966","","","0.1809","0.1911","","","","","","1.247","","","","has coordinates","243673","2020-10-21","18:00:00",""
"4089533","27.672","0.006","12.496","0.003","20.276","0.004","90","","111.94","0.03","90","","6503","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H96 Ge6 Si12 -","- C32 H96 Ge6 Si12 -","- C128 H384 Ge24 Si48 -","4","0.5","","Hlina, Johann; Baumgartner, Judith; Marschner, Christoph; Albers, Lena; Müller, Thomas","Cyclic Disilylated and Digermylated Germylenes.","Organometallics","2013","32","11","3404","3410","10.1021/om400365v","","","0.71073","MoKα","","0.0755","0.0527","","","0.1007","0.1087","","","","","","0.903","","","","has coordinates","243673","2020-10-21","18:00:00",""
"4089534","11.388","0.002","20.813","0.004","16.958","0.003","90","","107.35","0.03","90","","3836.5","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H60 Ge N2 Si8 -","- C23 H60 Ge N2 Si8 -","- C92 H240 Ge4 N8 Si32 -","4","1","","Hlina, Johann; Baumgartner, Judith; Marschner, Christoph; Albers, Lena; Müller, Thomas","Cyclic Disilylated and Digermylated Germylenes.","Organometallics","2013","32","11","3404","3410","10.1021/om400365v","","","0.71073","MoKα","","0.0552","0.0423","","","0.0912","0.0961","","","","","","1.073","","","","has coordinates","243673","2020-10-21","18:00:00",""
"4089535","11.436","0.002","20.832","0.004","17","0.003","90","","107.05","0.03","90","","3872","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H60 Ge3 N2 Si6 -","- C23 H60 Ge3 N2 Si6 -","- C92 H240 Ge12 N8 Si24 -","4","1","","Hlina, Johann; Baumgartner, Judith; Marschner, Christoph; Albers, Lena; Müller, Thomas","Cyclic Disilylated and Digermylated Germylenes.","Organometallics","2013","32","11","3404","3410","10.1021/om400365v","","","0.71073","MoKα","","0.0316","0.0267","","","0.0648","0.0664","","","","","","1.054","","","","has coordinates","243673","2020-10-21","18:00:00",""
"4089536","10.549","0.005","34.799","0.015","12.236","0.005","90","","97.234","0.007","90","","4456","3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HOLRC10","","","- C48 H75 Fe N4 -","- C48 H75 Fe N4 -","- C192 H300 Fe4 N16 -","4","1","","Cowley, Ryan E.; Golder, Matthew R.; Eckert, Nathan A.; Al-Afyouni, Malik H.; Holland, Patrick L.","Mechanism of Catalytic Nitrene Transfer Using Iron(I)‒Isocyanide Complexes","Organometallics","2013","32","19","5289","","10.1021/om400379p","","","0.71073","MoKα","","0.1377","0.0748","","","0.18","0.219","","","","","","1.032","","","","has coordinates","243674","2020-10-21","18:00:00",""
"4089537","17.7075","0.0003","17.6667","0.0004","17.8087","0.0004","90","","102.407","0.001","90","","5441","0.2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48.14 H48.28 B F20 Ir N O2 P3 -","- C48.138 H48.276 B F20 Ir N O2 P3 -","- C192.552 H193.104 B4 F80 Ir4 N4 O8 P12 -","4","1","","Campos, Jesus; Peloso, Riccardo; Brookhart, Maurice; Carmona, Ernesto","A Cationic Terminal Methylene Complex of Ir(I) Supported by a Pincer Ligand","Organometallics","2013","32","11","3423","","10.1021/om400383s","","","0.71073","MoKα","","0.0471","0.0343","","","0.0797","0.0851","","","","","","1.032","","","","has coordinates,has disorder","243675","2020-10-21","18:00:00",""
"4089538","13.4159","0.0008","15.4284","0.0016","16.2092","0.0009","109.711","0.002","111.838","0.002","93.72","0.002","2861.4","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C109 H117 B2 F41 Ir2 N2 O4 P6 -","- C109 H117 B2 F41 Ir2 N2 O4 P6 -","- C109 H117 B2 F41 Ir2 N2 O4 P6 -","1","0.5","","Campos, Jesus; Peloso, Riccardo; Brookhart, Maurice; Carmona, Ernesto","A Cationic Terminal Methylene Complex of Ir(I) Supported by a Pincer Ligand","Organometallics","2013","32","11","3423","","10.1021/om400383s","","","0.71073","MoKα","","0.0343","0.0278","","","0.0545","0.0556","","","","","","1.627","","","","has coordinates,has disorder","243675","2020-10-21","18:00:00",""
"4089539","10.3532","0.0004","14.0015","0.0005","18.7524","0.0007","87.316","0.002","87.89","0.002","72.991","0.002","2595.84","0.17","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H47 B F20 Ir N O4 P2 -","- C50 H47 B F20 Ir N O4 P2 -","- C100 H94 B2 F40 Ir2 N2 O8 P4 -","2","1","","Campos, Jesus; Peloso, Riccardo; Brookhart, Maurice; Carmona, Ernesto","A Cationic Terminal Methylene Complex of Ir(I) Supported by a Pincer Ligand","Organometallics","2013","32","11","3423","","10.1021/om400383s","","","0.71073","MoKα","","0.0356","0.0281","","","0.0669","0.0728","","","","","","1.061","","","","has coordinates,has disorder","243675","2020-10-21","18:00:00",""
"4089540","15.4761","0.0016","18.1045","0.0019","22.291","0.002","90","","109.305","0.002","90","","5894.5","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67 H66 B N2 O3 P2 Ru -","- C67 H66 B N2 O3 P2 Ru -","- C268 H264 B4 N8 O12 P8 Ru4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Baldan, Daniela; Castro, Jesús; Comparin, Giulia","Cycloaddition of Coordinated Diazoalkanes to Ethene To Yield 3H-Pyrazole Derivatives","Organometallics","2013","32","11","3157","","10.1021/om4004016","","","0.71073","MoKα","","0.2098","0.0569","","","0.1316","0.1991","","","","","","0.959","","","","has coordinates","243676","2020-10-21","18:00:00",""
"4089541","12.3858","0.0016","14.1762","0.0019","18.603","0.003","102.032","0.002","109.35","0.002","96.688","0.002","2952.6","0.7","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H63 B Cl2 N2 O3 P2 Ru -","- C66 H63 B Cl2 N2 O3 P2 Ru -","- C132 H126 B2 Cl4 N4 O6 P4 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Baldan, Daniela; Castro, Jesús; Comparin, Giulia","Cycloaddition of Coordinated Diazoalkanes to Ethene To Yield 3H-Pyrazole Derivatives","Organometallics","2013","32","11","3157","","10.1021/om4004016","","","0.71073","MoKα","","0.1088","0.0519","","","0.1193","0.1482","","","","","","1.003","","","","has coordinates","243676","2020-10-21","18:00:00",""
"4089542","12.2275","0.0019","13.605","0.002","14.8","0.002","76.856","0.003","85.456","0.003","74.283","0.003","2307.5","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H55 B O3 P2 Ru -","- C53 H55 B O3 P2 Ru -","- C106 H110 B2 O6 P4 Ru2 -","2","1","","Albertin, Gabriele; Antoniutti, Stefano; Baldan, Daniela; Castro, Jesús; Comparin, Giulia","Cycloaddition of Coordinated Diazoalkanes to Ethene To Yield 3H-Pyrazole Derivatives","Organometallics","2013","32","11","3157","","10.1021/om4004016","","","0.71073","MoKα","","0.1189","0.066","","","0.1555","0.1886","","","","","","1.03","","","","has coordinates","243676","2020-10-21","18:00:00",""
"4089543","9.002","0.004","10.248","0.004","10.991","0.004","114.311","0.015","97.232","0.015","106.991","0.016","847.7","0.6","100","","99.99","","","","","","","","","5","P 1","P 1","1","","","","- C40 H48 Li O4 Si -","- C40 H48 Li O4 Si -","- C40 H48 Li O4 Si -","1","1","","Zabula, Alexander V.; Rogachev, Andrey Yu.; Guzei, Ilia A.; West, Robert","Silicon in a Negatively Charged Shell: Anions of Spirosilabifluorene","Organometallics","2013","32","13","3760","","10.1021/om400419a","","x-ray","0.71073","MoKα","K-L~3~","0.0524","0.0437","","","0.1046","0.1097","","","","","","1.019","","","","has coordinates,has disorder","243677","2020-10-21","18:00:00",""
"4089544","10.553","0.005","13.798","0.005","13.945","0.005","67.78","0.02","77.033","0.011","68.282","0.009","1737.9","1.2","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 Na2 O4 Si -","- C40 H48 Na2 O4 Si -","- C80 H96 Na4 O8 Si2 -","2","1","","Zabula, Alexander V.; Rogachev, Andrey Yu.; Guzei, Ilia A.; West, Robert","Silicon in a Negatively Charged Shell: Anions of Spirosilabifluorene","Organometallics","2013","32","13","3760","","10.1021/om400419a","","","0.71073","MoKα","","0.0468","0.0377","","","0.0946","0.1011","","","","","","1.024","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4089545","23.193","0.007","10.599","0.003","24.462","0.008","90","","113.469","0.015","90","","5516","3","100","","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 K4 O4 Si2 -","- C64 H64 K4 O4 Si2 -","- C256 H256 K16 O16 Si8 -","4","1","","Zabula, Alexander V.; Rogachev, Andrey Yu.; Guzei, Ilia A.; West, Robert","Silicon in a Negatively Charged Shell: Anions of Spirosilabifluorene","Organometallics","2013","32","13","3760","","10.1021/om400419a","","x-ray","0.71073","MoKα","K-L~3~","0.0564","0.0388","","","0.0914","0.102","","","","","","1.01","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4089546","18.641","0.007","25.131","0.009","11.216","0.004","90","","104.53","0.03","90","","5086","3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H54 Cs3 O4 Si2 -","- C58 H54 Cs3 O4 Si2 -","- C232 H216 Cs12 O16 Si8 -","4","1","","Zabula, Alexander V.; Rogachev, Andrey Yu.; Guzei, Ilia A.; West, Robert","Silicon in a Negatively Charged Shell: Anions of Spirosilabifluorene","Organometallics","2013","32","13","3760","","10.1021/om400419a","","x-ray","0.71073","MoKα","K-L~3~","0.0367","0.0297","","","0.0625","0.065","","","","","","1.08","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4089547","9.7632","0.0006","13.8627","0.0009","18.8685","0.0011","111.116","0.003","96.691","0.003","92.975","0.003","2353.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H68 B F4 P3 Pd -","- C51 H68 B F4 P3 Pd -","- C102 H136 B2 F8 P6 Pd2 -","2","1","","Suseno, Sandy; Agapie, Theodor","Intramolecular Arene C-H to C-P Functionalization Mediated by Ni(II) and Pd(II).","Organometallics","2013","32","11","3161","","10.1021/om400424a","","","0.71073","MoKα","","0.1179","0.0538","","","0.0891","0.1035","","","","","","1.07","","","","has coordinates,has disorder","243678","2020-10-21","18:00:00",""
"4089548","15.2622","0.0007","20.3413","0.0009","23.527","0.001","90","","103.125","0.002","90","","7113.2","0.5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C128 H188 F12 Ni2 O13 P6 S4 -","- C128 H188 F12 Ni2 O13 P6 S4 -","- C256 H376 F24 Ni4 O26 P12 S8 -","2","1","","Suseno, Sandy; Agapie, Theodor","Intramolecular Arene C-H to C-P Functionalization Mediated by Ni(II) and Pd(II).","Organometallics","2013","32","11","3161","","10.1021/om400424a","","","0.71073","MoKα","","0.0913","0.0618","","","0.1522","0.1647","","","","","","0.985","","","","has coordinates,has disorder","243679","2020-10-21","18:00:00",""
"4089549","13.0651","0.0007","19.8103","0.0008","15.9572","0.0008","90","","98.12","0.002","90","","4088.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H53 B2 F8 N3 P2 Pd -","- C38 H53 B2 F8 N3 P2 Pd -","- C152 H212 B8 F32 N12 P8 Pd4 -","4","1","","Suseno, Sandy; Agapie, Theodor","Intramolecular Arene C-H to C-P Functionalization Mediated by Ni(II) and Pd(II).","Organometallics","2013","32","11","3161","","10.1021/om400424a","","","0.71073","MoKα","","0.074","0.0437","","","0.1033","0.1135","","","","","","1.372","","","","has coordinates,has disorder","287876","2023-11-30","07:26:55",""
"4089550","30.909","0.006","9.613","0.0014","33.956","0.006","90","","105.396","0.006","90","","9727","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H70 F3 Ni O4 P3 S -","- C50 H69.5 F3 Ni O4 P3 S -","- C400 H556 F24 Ni8 O32 P24 S8 -","8","2","","Suseno, Sandy; Agapie, Theodor","Intramolecular Arene C-H to C-P Functionalization Mediated by Ni(II) and Pd(II).","Organometallics","2013","32","11","3161","","10.1021/om400424a","","","0.71073","MoKα","","0.1653","0.0769","","","0.1567","0.1799","","","","","","1.311","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4089551","8.5246","0.0002","10.8789","0.0004","15.6466","0.0006","73.74","0.003","88.534","0.003","71.886","0.003","1320.95","0.08","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H29 Br Fe N O P -","- C31 H29 Br Fe N O P -","- C62 H58 Br2 Fe2 N2 O2 P2 -","2","1","","Madalska, Martyna; Lönnecke, Peter; Ivanovski, Vladimir; Hey-Hawkins, Evamarie","Synthesis of 1,1′,2-Trisubstituted Aryl-Based Ferrocenyl Phosphines as Precursors for Immobilized Ligands","Organometallics","2013","32","20","5852","","10.1021/om400449v","","","0.71073","MoKα","","0.04","0.0294","","","0.0703","0.0762","","","","","","1.056","","","","has coordinates","243682","2020-10-21","18:00:00",""
"4089552","10.2447","0.0011","22.318","0.003","10.7042","0.001","88.383","0.009","115.392","0.01","90.615","0.01","2210.1","0.5","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Br Fe N P -","- C25 H25 Br Fe N P -","- C100 H100 Br4 Fe4 N4 P4 -","4","2","","Madalska, Martyna; Lönnecke, Peter; Ivanovski, Vladimir; Hey-Hawkins, Evamarie","Synthesis of 1,1′,2-Trisubstituted Aryl-Based Ferrocenyl Phosphines as Precursors for Immobilized Ligands","Organometallics","2013","32","20","5852","","10.1021/om400449v","","","0.71073","MoKα","","0.0867","0.0571","","","0.1223","0.1301","","","","","","0.942","","","","has coordinates","243683","2020-10-21","18:00:00",""
"4089553","15.5684","0.0004","12.8809","0.0002","13.0506","0.0003","90","","102.172","0.002","90","","2558.27","0.1","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Br Fe N P S -","- C29 H27 Br Fe N P S -","- C116 H108 Br4 Fe4 N4 P4 S4 -","4","1","","Madalska, Martyna; Lönnecke, Peter; Ivanovski, Vladimir; Hey-Hawkins, Evamarie","Synthesis of 1,1′,2-Trisubstituted Aryl-Based Ferrocenyl Phosphines as Precursors for Immobilized Ligands","Organometallics","2013","32","20","5852","","10.1021/om400449v","","","0.71073","MoKα","","0.0714","0.0457","","","0.0979","0.1099","","","","","","1.028","","","","has coordinates","243684","2020-10-21","18:00:00",""
"4089554","10.2775","0.0004","22.6976","0.0008","10.9231","0.0005","90","","115.071","0.005","90","","2308.01","0.19","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Br Fe N P -","- C25 H25 Br Fe N P -","- C100 H100 Br4 Fe4 N4 P4 -","4","1","","Madalska, Martyna; Lönnecke, Peter; Ivanovski, Vladimir; Hey-Hawkins, Evamarie","Synthesis of 1,1′,2-Trisubstituted Aryl-Based Ferrocenyl Phosphines as Precursors for Immobilized Ligands","Organometallics","2013","32","20","5852","","10.1021/om400449v","","","0.71073","MoKα","","0.1033","0.0634","","","0.1394","0.1597","","","","","","1.031","","","","has coordinates,has disorder","243685","2020-10-21","18:00:00",""
"4089555","12.403","0.0013","15.0871","0.0016","18.968","0.002","90","","90","","90","","3549.4","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H34 Cl N O6 -","- C42 H34 Cl N O6 -","- C168 H136 Cl4 N4 O24 -","4","1","","Mei, Liang-yong; Wei, Yin; Xu, Qin; Shi, Min","Diastereo- and Enantioselective Construction of Oxindole-Fused Spirotetrahydrofuran Scaffolds through Palladium-Catalyzed Asymmetric [3+2] Cycloaddition of Vinyl Cyclopropanes and Isatins","Organometallics","2013","32","12","3544","","10.1021/om400473p","","","0.71073","MoKα","","0.0665","0.0459","","","0.0983","0.1088","","","","","","0.931","","","","has coordinates","243686","2020-10-21","18:00:00",""
"4089556","8.9906","0.0001","14.6286","0.0002","16.6861","0.0002","90","","96.069","0.001","90","","2182.25","0.05","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H36 N2 O Si2 Sn -","- C15 H36 N2 O Si2 Sn -","- C60 H144 N8 O4 Si8 Sn4 -","4","1","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Organic Amides as Suitable Precursors to Stabilize Stannylenes","Organometallics","2013","32","12","3557","","10.1021/om400476c","","","1.5418","CuKα","","0.0238","0.0223","","","0.0565","0.0578","","","","","","1.038","","","","has coordinates","243687","2020-10-21","18:00:00",""
"4089557","13.7979","0.0002","10.8846","0.0001","16.5218","0.0002","90","","90","","90","","2481.32","0.05","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H36 Cl2 N2 O2 Sn2 -","- C18 H36 Cl2 N2 O2 Sn2 -","- C72 H144 Cl8 N8 O8 Sn8 -","4","0.5","","Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Organic Amides as Suitable Precursors to Stabilize Stannylenes","Organometallics","2013","32","12","3557","","10.1021/om400476c","","","1.5418","CuKα","","0.0928","0.0789","","","0.1895","0.218","","","","","","1.096","","","","has coordinates","243688","2020-10-21","18:00:00",""
"4089558","23.865","0.004","10.269","0.0018","19.572","0.004","90","","108.685","0.011","90","","4543.7","1.5","130","2","130","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C39 H65 B2 Cl2 F8 Fe P3 Pd -","- C39 H65 B2 Cl2 F8 Fe P3 Pd -","- C156 H260 B8 Cl8 F32 Fe4 P12 Pd4 -","4","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.0688","0.0488","","","0.0953","0.1042","","","","","","1.029","","","","has coordinates,has disorder","243689","2020-10-21","18:00:00",""
"4089559","12.7854","0.0008","12.8171","0.0008","17.1444","0.0013","84.688","0.002","83.017","0.003","73.353","0.002","2666.8","0.3","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H69 B2 Cl2 F8 Fe P3 Pd -","- C53 H69 B2 Cl2 F8 Fe P3 Pd -","- C106 H138 B4 Cl4 F16 Fe2 P6 Pd2 -","2","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.1554","0.0591","","","0.0915","0.1162","","","","","","1.012","","","","has coordinates","243689","2020-10-21","18:00:00",""
"4089560","10.5061","0.0009","15.7501","0.0013","20.615","0.0018","90","","91.838","0.005","90","","3409.5","0.5","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H47 B2 Cl F8 Fe P3 Pd -","- C26 H47 B2 Cl F8 Fe P3 Pd -","- C104 H188 B8 Cl4 F32 Fe4 P12 Pd4 -","4","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.0518","0.0324","","","0.0649","0.0718","","","","","","1.007","","","","has coordinates,has disorder","243689","2020-10-21","18:00:00",""
"4089561","14.0149","0.0006","16.4196","0.0008","23.4016","0.0011","82.01","0.002","74.594","0.002","89.467","0.002","5139.1","0.4","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C53.5 H46 B2 Cl3 F8 Fe P3 Pd -","- C53.5 H46 B2 Cl3 F8 Fe P3 Pd -","- C214 H184 B8 Cl12 F32 Fe4 P12 Pd4 -","4","2","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.0746","0.0446","","","0.096","0.1083","","","","","","1.023","","","","has coordinates,has disorder","243689","2020-10-21","18:00:00",""
"4089562","12.3572","0.0011","14.0847","0.0012","16.277","0.0015","89.496","0.005","85.881","0.005","65.184","0.005","2564","0.4","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H53 B2 F8 O P3 Pd Ru -","- C52 H43 B2 F8 P3 Pd Ru -","- C104 H86 B4 F16 P6 Pd2 Ru2 -","2","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.0853","0.0478","","","0.0955","0.1047","","","","","","1.017","","","","has coordinates,has disorder","243689","2020-10-21","18:00:00",""
"4089563","12.7978","0.0004","15.6371","0.0005","17.5738","0.0006","77.064","0.002","80.741","0.002","71.172","0.002","3229.2","0.19","125","2","125","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H81 B2 Cl7 F8 Fe P3 Pt -","- C59 H81 B2 Cl7 F8 Fe P3 Pt -","- C118 H162 B4 Cl14 F16 Fe2 P6 Pt2 -","2","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.0534","0.0405","","","0.095","0.1012","","","","","","1.032","","","","has coordinates","243689","2020-10-21","18:00:00",""
"4089564","12.3714","0.0007","14.0701","0.0008","16.3741","0.0009","85.31","0.003","86.31","0.003","65.741","0.002","2588.3","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C55 H49 B2 Cl3 F8 P3 Pt Ru -","- C52 H43 B2 F8 P3 Pt Ru -","- C104 H86 B4 F16 P6 Pt2 Ru2 -","2","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.0518","0.0383","","","0.0869","0.0914","","","","","","1.021","","","","has coordinates,has disorder","243689","2020-10-21","18:00:00",""
"4089565","11.3003","0.001","17.7584","0.0015","12.7868","0.0011","90","","98.48","0.002","90","","2537.9","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Fe I2 P2 Pd -","- C22 H36 Fe I2 P2 Pd -","- C88 H144 Fe4 I8 P8 Pd4 -","4","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.0305","0.0243","","","0.0501","0.0522","","","","","","1.018","","","","has coordinates","243689","2020-10-21","18:00:00",""
"4089566","12.5777","0.0005","13.0199","0.0005","17.08","0.0006","83.477","0.002","86.866","0.002","76.638","0.002","2702.52","0.18","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H76 B2 F8 Fe O2.5 P3 Pd -","- C48 H51 B2 F8 Fe P3 Pd -","- C96 H102 B4 F16 Fe2 P6 Pd2 -","2","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.1829","0.0649","","","0.0894","0.1","","","","","","1.011","","","","has coordinates,has disorder","243689","2020-10-21","18:00:00",""
"4089567","11.3218","0.0011","17.7619","0.0018","12.7728","0.0013","90","","98.641","0.002","90","","2539.4","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Fe I2 P2 Pt -","- C22 H36 Fe I2 P2 Pt -","- C88 H144 Fe4 I8 P8 Pt4 -","4","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.0244","0.0207","","","0.042","0.043","","","","","","1.036","","","","has coordinates","243689","2020-10-21","18:00:00",""
"4089568","14.6916","0.0004","14.7206","0.0004","16.787","0.0004","64.59","0.001","78.883","0.001","81.407","0.001","3208.64","0.15","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C134 H84 B2 Cl4 F48 Fe2 P4 Pd2 -","- C134 H84 B2 Cl4 F48 Fe2 P4 Pd2 -","- C134 H84 B2 Cl4 F48 Fe2 P4 Pd2 -","1","0.5","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.0549","0.0374","","","0.0768","0.0846","","","","","","1.027","","","","has coordinates,has disorder","243689","2020-10-21","18:00:00",""
"4089569","11.6086","0.0003","17.1357","0.0005","19.2749","0.0006","90","","98.127","0.001","90","","3795.69","0.19","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(dtbpf)PdCl][SbCl6].0.5(CH2Cl2)","","","- C26.5 H45 Cl8 Fe P2 Pd Sb -","- C26.5 H45 Cl8 Fe P2 Pd Sb -","- C106 H180 Cl32 Fe4 P8 Pd4 Sb4 -","4","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.0455","0.0313","","","0.0749","0.0842","","","","","","1.039","","","","has coordinates,has disorder","243689","2020-10-21","18:00:00",""
"4089570","11.5485","0.001","17.0186","0.0014","19.1239","0.0016","90","","98.185","0.001","90","","3720.3","0.5","165","2","165","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(dtbpf)PdCl][SbCl6].0.5(CH2Cl2)","","","- C26.5 H45 Cl8 Fe P2 Pd Sb -","- C26.5 H45 Cl8 Fe P2 Pd Sb -","- C106 H180 Cl32 Fe4 P8 Pd4 Sb4 -","4","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.1016","0.0542","","","0.1161","0.1358","","","","","","1.025","","","","has coordinates,has disorder","243689","2020-10-21","18:00:00",""
"4089571","11.495","0.01","16.945","0.014","19.559","0.016","90","","97.657","0.011","90","","3776","5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(dtbpf)PdCl][SbCl6].0.5(CH2Cl2)","","","- C26.5 H45 Cl8 Fe P2 Pd Sb -","- C26.5 H45 Cl8 Fe P2 Pd Sb -","- C106 H180 Cl32 Fe4 P8 Pd4 Sb4 -","4","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.1025","0.0687","","","0.1658","0.1797","","","","","","1.076","","","","has coordinates,has disorder","243689","2020-10-21","18:00:00",""
"4089572","11.617","0.004","17.131","0.006","19.29","0.006","90","","98.126","0.006","90","","3800","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H45 Cl8 Fe P2 Pd Sb -","- C26.5 H45 Cl8 Fe P2 Pd Sb -","- C106 H180 Cl32 Fe4 P8 Pd4 Sb4 -","4","1","","Gramigna, Kathryn M.; Oria, Jeremy V.; Mandell, Chelsea L.; Tiedemann, Margaret A.; Dougherty, William G.; Piro, Nicholas A.; Kassel, W. Scott; Chan, Benny C.; Diaconescu, Paula L.; Nataro, Chip","Palladium(II) and Platinum(II) Compounds of 1,1′-Bis(phosphino)metallocene (M = Fe, Ru) Ligands with Metal‒Metal Interactions","Organometallics","2013","32","20","5966","","10.1021/om400494t","","","0.71073","MoKα","","0.1109","0.0506","","","0.0972","0.118","","","","","","1.01","","","","has coordinates,has disorder","243689","2020-10-21","18:00:00",""
"4089573","7.9337","0.0006","11.1122","0.0008","15.7018","0.0012","90","","104.43","0.006","90","","1340.61","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","compound 1b","","","- C14 H25 P -","- C14 H25 P -","- C56 H100 P4 -","4","1","","Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg","Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes","Organometallics","2013","32","18","5082","","10.1021/om4005548","","","0.71073","MoKα","","0.0916","0.0563","","","0.1291","0.1385","","","","","","0.87","","","","has coordinates","243690","2020-10-21","18:00:00",""
"4089574","10.5034","0.001","20.3566","0.0015","14.5196","0.0014","90","","93.062","0.008","90","","3100.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","compound 2a","","","- C28 H52 Li2 N4 P2 -","- C28 H52 Li2 N4 P2 -","- C112 H208 Li8 N16 P8 -","4","1","","Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg","Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes","Organometallics","2013","32","18","5082","","10.1021/om4005548","","","0.71069","MoKα","","0.1425","0.0573","","","0.1157","0.1306","","","","","","0.757","","","","has coordinates","243690","2020-10-21","18:00:00",""
"4089575","8.0778","0.0008","9.0873","0.0009","10.5086","0.001","88.227","0.008","76.622","0.008","70.553","0.008","706.75","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","compound 2b","","","- C28 H48 Li2 P2 -","- C28 H48 Li2 P2 -","- C28 H48 Li2 P2 -","1","0.5","","Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg","Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes","Organometallics","2013","32","18","5082","","10.1021/om4005548","","","0.71069","MoKα","","0.05","0.0328","","","0.0705","0.0729","","","","","","0.847","","","","has coordinates","243690","2020-10-21","18:00:00",""
"4089576","9.5679","0.0002","13.1603","0.0003","24.9054","0.0005","90","","90.771","0.002","90","","3135.72","0.12","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","compound 3a","","","- C25 H46 Cl3 N2 P Si Zr -","- C25 H46 Cl3 N2 P Si Zr -","- C100 H184 Cl12 N8 P4 Si4 Zr4 -","4","1","","Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg","Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes","Organometallics","2013","32","18","5082","","10.1021/om4005548","","","0.71069","MoKα","","0.042","0.0278","","","0.0633","0.0662","","","","","","0.978","","","","has coordinates,has disorder","243690","2020-10-21","18:00:00",""
"4089577","10.0131","0.0005","10.7115","0.0004","31.4422","0.0019","90","","91.259","0.004","90","","3371.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound 3d","","","- C30 H47 Cl2 P Si2 Zr -","- C30 H47 Cl2 P Si2 Zr -","- C120 H188 Cl8 P4 Si8 Zr4 -","4","1","","Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg","Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes","Organometallics","2013","32","18","5082","","10.1021/om4005548","","","0.71073","MoKα","","0.0888","0.0377","","","0.055","0.0619","","","","","","0.717","","","","has coordinates,has disorder","243690","2020-10-21","18:00:00",""
"4089578","10.8359","0.0005","11.6565","0.0007","13.594","0.0008","107.772","0.004","108.223","0.004","98.351","0.004","1497.1","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","compound 4b","","","- C35 H45 P Zr -","- C35 H45 P Zr -","- C70 H90 P2 Zr2 -","2","1","","Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg","Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes","Organometallics","2013","32","18","5082","","10.1021/om4005548","","","0.71069","MoKα","","0.0668","0.0383","","","0.0558","0.0603","","","","","","0.881","","","","has coordinates","243690","2020-10-21","18:00:00",""
"4089579","13.4331","0.0004","15.1972","0.0003","13.9683","0.0004","90","","92.553","0.002","90","","2848.74","0.13","100","2","100","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","compound 5a","","","- C22 H47 N2 P Si2 Zr -","- C22 H47 N2 P Si2 Zr -","- C88 H188 N8 P4 Si8 Zr4 -","4","1","","Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg","Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes","Organometallics","2013","32","18","5082","","10.1021/om4005548","","","0.71073","MoKα","","0.0387","0.0293","","","0.0741","0.0761","","","","","","0.931","","","","has coordinates","243690","2020-10-21","18:00:00",""
"4089580","10.1659","0.0004","18.0921","0.0007","18.9573","0.0008","90","","99.895","0.003","90","","3434.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","compound 5c","","","- C33 H49 P Si2 Zr -","- C33 H49 P Si2 Zr -","- C132 H196 P4 Si8 Zr4 -","4","1","","Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg","Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes","Organometallics","2013","32","18","5082","","10.1021/om4005548","","","0.71073","MoKα","","0.0719","0.0327","","","0.0554","0.0592","","","","","","0.663","","","","has coordinates","243690","2020-10-21","18:00:00",""
"4089581","10.11","0.002","11.751","0.003","13.802","0.005","102.821","0.005","101.341","0.007","96.23","0.03","1547.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","compound 5d","","","- C30 H45 P Si2 Zr -","- C30 H45 P Si2 Zr -","- C60 H90 P2 Si4 Zr2 -","2","1","","Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg","Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes","Organometallics","2013","32","18","5082","","10.1021/om4005548","","","0.71069","MoKα","","0.059","0.0452","","","0.1117","0.1173","","","","","","0.943","","","","has coordinates,has disorder","243690","2020-10-21","18:00:00",""
"4089582","11.19","0.0006","13.6027","0.0007","17.0261","0.0008","69.347","0.004","80.211","0.004","79.586","0.004","2369.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","compound 6a","","","- C49 H70 N4 P2 Zr2 -","- C49 H70 N4 P2 Zr2 -","- C98 H140 N8 P4 Zr4 -","2","1","","Schröder, Fabian G.; Lichtenberg, Crispin; Elfferding, Michael; Sundermeyer, Jörg","Deprotonated P-ylides As Templates for Novel Cyclopentadienyl Phosphonioalkyl, -alkylidene, and -alkylidyne (CpPC) Constrained-Geometry Complexes","Organometallics","2013","32","18","5082","","10.1021/om4005548","","","0.71069","MoKα","","0.0689","0.0354","","","0.0741","0.0782","","","","","","0.746","","","","has coordinates","243690","2020-10-21","18:00:00",""
"4089583","12.2186","0.0004","12.3335","0.0004","15.0955","0.0004","97.298","0.002","96.974","0.002","111.621","0.003","2062.47","0.12","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H59 B Mo N2 O -","- C46 H59 B Mo N2 O -","- C92 H118 B2 Mo2 N4 O2 -","2","1","","Nasr, Alexandre; Breuil, Pierre-Alain R.; Silva, Duarte C.; Berthod, Mikaël; Dellus, Nicolas; Jeanneau, Erwann; Lemaire, Marc; Olivier-Bourbigou, Hélène","New Boron-Containing Molybdenum Imido Alkylidene Complexes for Linear Olefin Homometathesis","Organometallics","2013","32","19","5320","","10.1021/om400577k","","","0.7107","MoKα","","0.044","0.0348","","0.0775","0.0688","0.0775","","","","","","0.9315","","","","has coordinates","243691","2020-10-21","18:00:00",""
"4089584","11.221","0.002","14.951","0.003","15.986","0.003","79.245","0.004","80.12","0.004","81.881","0.004","2579.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H71 B Mo N2 O3 -","- C60 H71 B Mo N2 O3 -","- C120 H142 B2 Mo2 N4 O6 -","2","1","","Townsend, Erik M.; Kilyanek, Stefan M.; Schrock, Richard R.; Müller, Peter; Smith, Stacey J.; Hoveyda, Amir H.","Synthesis of High Oxidation State Molybdenum Imido Heteroatom-Substituted Alkylidene Complexes.","Organometallics","2013","32","16","4612","4617","10.1021/om400584f","","","0.71073","MoKα","","0.0305","0.0273","","","0.0704","0.0725","","","","","","1.045","","","","has coordinates,has disorder","243692","2020-10-21","18:00:00",""
"4089585","11.093","0.0009","11.2523","0.001","21.8352","0.0019","98.741","0.002","100.267","0.002","107.259","0.002","2499.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H68 Mo N2 O Si -","- C57 H68 Mo N2 O Si -","- C114 H136 Mo2 N4 O2 Si2 -","2","1","","Townsend, Erik M.; Kilyanek, Stefan M.; Schrock, Richard R.; Müller, Peter; Smith, Stacey J.; Hoveyda, Amir H.","Synthesis of High Oxidation State Molybdenum Imido Heteroatom-Substituted Alkylidene Complexes.","Organometallics","2013","32","16","4612","4617","10.1021/om400584f","","","0.71073","MoKα","","0.0375","0.0321","","","0.0786","0.081","","","","","","1.042","","","","has coordinates,has disorder","243692","2020-10-21","18:00:00",""
"4089586","18.861","0.003","14.44","0.002","19.221","0.003","90","","113.109","0.003","90","","4814.8","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H55 Mo N3 O -","- C61 H55 Mo N3 O -","- C244 H220 Mo4 N12 O4 -","4","1","","Townsend, Erik M.; Kilyanek, Stefan M.; Schrock, Richard R.; Müller, Peter; Smith, Stacey J.; Hoveyda, Amir H.","Synthesis of High Oxidation State Molybdenum Imido Heteroatom-Substituted Alkylidene Complexes.","Organometallics","2013","32","16","4612","4617","10.1021/om400584f","","","0.71073","MoKα","","0.037","0.0297","","","0.073","0.0776","","","","","","1.051","","","","has coordinates","243692","2020-10-21","18:00:00",""
"4089587","11.5255","0.0013","18.411","0.002","22.662","0.003","90","","102.283","0.002","90","","4698.7","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H55 Cl2 Mo N3 O2 -","- C53.999 H54.998 Cl1.998 Mo N3 O2 -","- C215.996 H219.992 Cl7.992 Mo4 N12 O8 -","4","1","","Townsend, Erik M.; Kilyanek, Stefan M.; Schrock, Richard R.; Müller, Peter; Smith, Stacey J.; Hoveyda, Amir H.","Synthesis of High Oxidation State Molybdenum Imido Heteroatom-Substituted Alkylidene Complexes.","Organometallics","2013","32","16","4612","4617","10.1021/om400584f","","","0.71073","MoKα","","0.0325","0.0263","","","0.0657","0.0696","","","","","","1.021","","","","has coordinates,has disorder","243692","2020-10-21","18:00:00",""
"4089588","12.6179","0.0019","20.931","0.003","21.512","0.003","90","","98.621","0.003","90","","5617.2","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C64.5 H63 Cl3 Mo N3 O P -","- C64.499 H62.998 Cl2.998 Mo N3 O P -","- C257.996 H251.992 Cl11.992 Mo4 N12 O4 P4 -","4","1","","Townsend, Erik M.; Kilyanek, Stefan M.; Schrock, Richard R.; Müller, Peter; Smith, Stacey J.; Hoveyda, Amir H.","Synthesis of High Oxidation State Molybdenum Imido Heteroatom-Substituted Alkylidene Complexes.","Organometallics","2013","32","16","4612","4617","10.1021/om400584f","","","0.71073","MoKα","","0.0553","0.0468","","","0.1189","0.125","","","","","","1.108","","","","has coordinates,has disorder","243692","2020-10-21","18:00:00",""
"4089589","10.3886","0.001","37.276","0.003","12.6481","0.0012","90","","93.108","0.002","90","","4890.7","0.8","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C54.5 H60 Mo N2 O2 -","- C54.5 H60 Mo N2 O2 -","- C218 H240 Mo4 N8 O8 -","4","2","","Townsend, Erik M.; Kilyanek, Stefan M.; Schrock, Richard R.; Müller, Peter; Smith, Stacey J.; Hoveyda, Amir H.","Synthesis of High Oxidation State Molybdenum Imido Heteroatom-Substituted Alkylidene Complexes.","Organometallics","2013","32","16","4612","4617","10.1021/om400584f","","","0.71073","MoKα","","0.061","0.0518","","","0.142","0.1477","","","","","","1.102","","","","has coordinates,has disorder","243692","2020-10-21","18:00:00",""
"4089590","14.0945","0.0012","20.0137","0.0017","16.7996","0.0014","90","","105.987","0.001","90","","4555.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H52 Mo N2 O S -","- C55 H52 Mo N2 O S -","- C220 H208 Mo4 N8 O4 S4 -","4","1","","Townsend, Erik M.; Kilyanek, Stefan M.; Schrock, Richard R.; Müller, Peter; Smith, Stacey J.; Hoveyda, Amir H.","Synthesis of High Oxidation State Molybdenum Imido Heteroatom-Substituted Alkylidene Complexes.","Organometallics","2013","32","16","4612","4617","10.1021/om400584f","","","0.71073","MoKα","","0.04","0.0316","","","0.0773","0.0832","","","","","","1.031","","","","has coordinates,has disorder","243692","2020-10-21","18:00:00",""
"4089591","17.2065","0.0008","17.6408","0.001","19.9732","0.001","90","","97.615","0.002","90","","6009.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C59 H51 B F24 N3 O4 Rh -","- C59 H51 B F24 N3 O4 Rh -","- C236 H204 B4 F96 N12 O16 Rh4 -","4","1","","Choy, Sandra W. S.; Page, Michael J.; Bhadbhade, Mohan; Messerle, Barbara A.","Cooperative Catalysis: Large Rate Enhancements with Bimetallic Rhodium Complexes","Organometallics","2013","32","17","4726","","10.1021/om400613b","","","0.71073","MoKα","","0.0703","0.0513","","","0.1176","0.1293","","","","","","0.974","","","","has coordinates,has disorder","243693","2020-10-21","18:00:00",""
"4089592","17.0019","0.0007","13.6347","0.0005","21.0961","0.0008","90","","105.069","0.002","90","","4722.2","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H23 B F24 N3 O2 Rh -","- C45 H23 B F23.9997 N3 O2 Rh -","- C180 H92 B4 F95.9988 N12 O8 Rh4 -","4","1","","Choy, Sandra W. S.; Page, Michael J.; Bhadbhade, Mohan; Messerle, Barbara A.","Cooperative Catalysis: Large Rate Enhancements with Bimetallic Rhodium Complexes","Organometallics","2013","32","17","4726","","10.1021/om400613b","","","0.71073","MoKα","","0.0808","0.0692","","","0.17","0.182","","","","","","1.024","","","","has coordinates,has disorder","243693","2020-10-21","18:00:00",""
"4089593","12.726","0.003","14.234","0.003","28.098","0.006","89.27","0.03","77.53","0.03","71.8","0.03","4713","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H22 B Cl2 F24 N3 O2 Rh -","- C43 H22 B Cl2 F24 N3 O2 Rh -","- C172 H88 B4 Cl8 F96 N12 O8 Rh4 -","4","2","","Choy, Sandra W. S.; Page, Michael J.; Bhadbhade, Mohan; Messerle, Barbara A.","Cooperative Catalysis: Large Rate Enhancements with Bimetallic Rhodium Complexes","Organometallics","2013","32","17","4726","","10.1021/om400613b","","","0.71073","Synchrotron","","0.0706","0.0544","","","0.1198","0.1286","","","","","","1.014","","","","has coordinates,has disorder","243693","2020-10-21","18:00:00",""
"4089594","11.002","0.0002","13.1765","0.0002","31.9414","0.0006","87.555","0.001","82.89","0.001","77.316","0.001","4482.16","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 Al P3 -","- C54 H42 Al P3 -","- C216 H168 Al4 P12 -","4","2","","Courtemanche, Marc-André; Larouche, Jérémie; Légaré, Marc-André; Bi, Wenhua; Maron, Laurent; Fontaine, Frédéric-Georges","A Tris(triphenylphosphine)aluminum Ambiphilic Precatalyst for the Reduction of Carbon Dioxide with Catecholborane","Organometallics","2013","32","22","6804","","10.1021/om400645s","","","0.71073","MoKα","","0.0878","0.0526","","","0.1277","0.1402","","","","","","1.049","","","","has coordinates","243694","2020-10-21","18:00:00",""
"4089595","12.4996","0.0001","13.9779","0.0002","16.8699","0.0002","95.104","0.001","96.631","0.001","90.869","0.001","2915.19","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C103 H127 Al4 B12 O48 -","- C103 H127 Al4 B12 O48 -","- C103 H127 Al4 B12 O48 -","1","0.5","","Courtemanche, Marc-André; Larouche, Jérémie; Légaré, Marc-André; Bi, Wenhua; Maron, Laurent; Fontaine, Frédéric-Georges","A Tris(triphenylphosphine)aluminum Ambiphilic Precatalyst for the Reduction of Carbon Dioxide with Catecholborane","Organometallics","2013","32","22","6804","","10.1021/om400645s","","","0.71073","MoKα","","0.0615","0.0431","","","0.1049","0.1151","","","","","","1.038","","","","has coordinates","243694","2020-10-21","18:00:00",""
"4089596","13.31","0.0006","17.3944","0.0007","15.3265","0.0007","90","","109.409","0.002","90","","3346.7","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C48 H35 B -","- C48 H35 B -","- C192 H140 B4 -","4","1","","Braunschweig, Holger; Maier, Jonathan; Radacki, Krzysztof; Wahler, Johannes","Ring Expansion of 7-Boranorbornadienes by Coordination with an N-Heterocyclic Carbene","Organometallics","2013","32","21","6353","","10.1021/om400708y","","","0.71073","MoKα","","0.0551","0.0372","","","0.0887","0.0979","","","","","","1.088","","","","has coordinates","243695","2020-10-21","18:00:00",""
"4089597","10.527","0.005","10.611","0.006","22.905","0.011","102.47","0.03","95.65","0.02","103.66","0.03","2397","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H55 B N2 -","- C65 H55 B N2 -","- C130 H110 B2 N4 -","2","1","","Braunschweig, Holger; Maier, Jonathan; Radacki, Krzysztof; Wahler, Johannes","Ring Expansion of 7-Boranorbornadienes by Coordination with an N-Heterocyclic Carbene","Organometallics","2013","32","21","6353","","10.1021/om400708y","","","0.71073","MoKα","","0.0965","0.0671","","","0.146","0.1588","","","","","","1.079","","","","has coordinates","243695","2020-10-21","18:00:00",""
"4089598","25.895","0.0012","17.5143","0.0007","9.6975","0.0004","90","","90","","90","","4398.1","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C59 H49 B N2 -","- C59 H49 B N2 -","- C236 H196 B4 N8 -","4","1","","Braunschweig, Holger; Maier, Jonathan; Radacki, Krzysztof; Wahler, Johannes","Ring Expansion of 7-Boranorbornadienes by Coordination with an N-Heterocyclic Carbene","Organometallics","2013","32","21","6353","","10.1021/om400708y","","","0.71073","MoKα","","0.052","0.0373","","","0.0829","0.0888","","","","","","1.16","","","","has coordinates","243695","2020-10-21","18:00:00",""
"4089599","12.2893","0.0011","10.7063","0.0008","27.045","0.002","90","","95.036","0.003","90","","3544.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H45 B N2 -","- C46 H45 B N2 -","- C184 H180 B4 N8 -","4","1","","Braunschweig, Holger; Maier, Jonathan; Radacki, Krzysztof; Wahler, Johannes","Ring Expansion of 7-Boranorbornadienes by Coordination with an N-Heterocyclic Carbene","Organometallics","2013","32","21","6353","","10.1021/om400708y","","","0.71073","MoKα","","0.0604","0.0474","","","0.122","0.1348","","","","","","1.052","","","","has coordinates","243695","2020-10-21","18:00:00",""
"4089600","12.999","0.003","15.004","0.003","23.641","0.005","90","","90","","90","","4610.9","1.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C15 H33 F3 N O3 P2 Rh S -","- C15 H33 F3 N O3 P2 Rh S -","- C120 H264 F24 N8 O24 P16 Rh8 S8 -","8","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Spectroscopy, Structure, and Reactivity of Azapentadienyl-Rhodium-Phosphine and Azapentadienyl-Iridium-Phosphine Complexes1","Organometallics","2013","32","21","6410","","10.1021/om400765h","","","0.71073","MoKα","","0.0736","0.0549","","","0.1419","0.1521","","","","","","1.038","","","","has coordinates","243696","2020-10-21","18:00:00",""
"4089601","8.24","0.002","10.519","0.003","13.854","0.004","101.876","0.012","91.596","0.011","92.053","0.011","1173.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H41 N P3 Rh -","- C17 H41 N P3 Rh -","- C34 H82 N2 P6 Rh2 -","2","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Spectroscopy, Structure, and Reactivity of Azapentadienyl-Rhodium-Phosphine and Azapentadienyl-Iridium-Phosphine Complexes1","Organometallics","2013","32","21","6410","","10.1021/om400765h","","","0.71073","MoKα","","0.0568","0.0482","","","0.1386","0.1497","","","","","","1.094","","","","has coordinates","243696","2020-10-21","18:00:00",""
"4089602","15.7407","0.0009","8.2928","0.0004","20.6824","0.0012","90","","96.442","0.003","90","","2682.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 F3 N O3 P3 Rh S -","- C18 H42 F3 N O3 P3 Rh S -","- C72 H168 F12 N4 O12 P12 Rh4 S4 -","4","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Spectroscopy, Structure, and Reactivity of Azapentadienyl-Rhodium-Phosphine and Azapentadienyl-Iridium-Phosphine Complexes1","Organometallics","2013","32","21","6410","","10.1021/om400765h","","","0.71073","MoKα","","0.0491","0.0315","","","0.0602","0.0665","","","","","","1.025","","","","has coordinates,has disorder","243696","2020-10-21","18:00:00",""
"4089603","12.7978","0.0006","9.0318","0.0004","24.2555","0.0011","90","","97.805","0.002","90","","2777.7","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cl2 F6 O6 P3 Rh S2 -","- C12 H30 Cl2 F6 O6 P3 Rh S2 -","- C48 H120 Cl8 F24 O24 P12 Rh4 S8 -","4","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Spectroscopy, Structure, and Reactivity of Azapentadienyl-Rhodium-Phosphine and Azapentadienyl-Iridium-Phosphine Complexes1","Organometallics","2013","32","21","6410","","10.1021/om400765h","","","0.71073","MoKα","","0.0397","0.0285","","","0.0594","0.0635","","","","","","1.027","","","","has coordinates,has disorder","243696","2020-10-21","18:00:00",""
"4089604","9.9443","0.0006","18.4115","0.0011","17.1842","0.0011","90","","97.046","0.004","90","","3122.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H59 Ir N P3 -","- C26 H59 Ir N P3 -","- C104 H236 Ir4 N4 P12 -","4","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Spectroscopy, Structure, and Reactivity of Azapentadienyl-Rhodium-Phosphine and Azapentadienyl-Iridium-Phosphine Complexes1","Organometallics","2013","32","21","6410","","10.1021/om400765h","","","0.71073","MoKα","","0.0591","0.0326","","","0.0562","0.0636","","","","","","1.047","","","","has coordinates","243696","2020-10-21","18:00:00",""
"4089605","20.3406","0.0014","9.5021","0.0007","22.0175","0.0014","90","","115.453","0.003","90","","3842.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H66 F3 Ir N O4 P3 S -","- C30 H66 F3 Ir N O4 P3 S -","- C120 H264 F12 Ir4 N4 O16 P12 S4 -","4","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Spectroscopy, Structure, and Reactivity of Azapentadienyl-Rhodium-Phosphine and Azapentadienyl-Iridium-Phosphine Complexes1","Organometallics","2013","32","21","6410","","10.1021/om400765h","","","0.71073","MoKα","","0.0227","0.0184","","","0.0409","0.0424","","","","","","1.058","","","","has coordinates","243696","2020-10-21","18:00:00",""
"4089606","20.7256","0.001","11.625","0.0005","21.3376","0.0009","90","","115.415","0.002","90","","4643.4","0.4","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C30 H65 Cl4 F6 Ir N O6 P3 S2 -","- C30 H65 Cl4 F6 Ir N O6 P3 S2 -","- C120 H260 Cl16 F24 Ir4 N4 O24 P12 S8 -","4","1","","Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.","Synthesis, Spectroscopy, Structure, and Reactivity of Azapentadienyl-Rhodium-Phosphine and Azapentadienyl-Iridium-Phosphine Complexes1","Organometallics","2013","32","21","6410","","10.1021/om400765h","","","0.71073","MoKα","","0.042","0.028","","","0.0537","0.0582","","","","","","1.025","","","","has coordinates,has disorder","243696","2020-10-21","18:00:00",""
"4089607","9.5736","0.0008","9.6865","0.0008","9.9936","0.0008","90","","112.472","0.002","90","","856.38","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H15 N O5 S W -","- C16 H15 N O5 S W -","- C32 H30 N2 O10 S2 W2 -","2","0.5","","Landman, Marilé; Pretorius, René; Buitendach, Blenerhassitt E.; van Rooyen, Petrus H.; Conradie, Jeanet","Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials","Organometallics","2013","32","19","5491","","10.1021/om400778z","","","0.71073","MoKα","","0.0299","0.0257","","","0.0467","0.048","","","","","","0.996","","","","has coordinates,has disorder","243697","2020-10-21","18:00:00",""
"4089608","15.2071","0.0003","6.4037","0.0001","26.5845","0.0007","90","","92.14","0.001","90","","2587.04","0.09","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N2 O5 W -","- C11 H10 N2 O5 W -","- C88 H80 N16 O40 W8 -","8","1","","Landman, Marilé; Pretorius, René; Buitendach, Blenerhassitt E.; van Rooyen, Petrus H.; Conradie, Jeanet","Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials","Organometallics","2013","32","19","5491","","10.1021/om400778z","","","0.7107","MoKα","","0.0609","0.0333","","","0.0459","0.0514","","","","","","1.005","","","","has coordinates","243698","2020-10-21","18:00:00",""
"4089609","13.7582","0.0004","6.8092","0.0002","15.4418","0.0004","90","","91.43","0.001","90","","1446.17","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 N2 O6 W -","- C12 H10 N2 O6 W -","- C48 H40 N8 O24 W4 -","4","1","","Landman, Marilé; Pretorius, René; Buitendach, Blenerhassitt E.; van Rooyen, Petrus H.; Conradie, Jeanet","Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials","Organometallics","2013","32","19","5491","","10.1021/om400778z","","","0.71073","MoKα","","0.0391","0.031","","","0.0707","0.0738","","","","","","1.124","","","","has coordinates","243699","2020-10-21","18:00:00",""
"4089610","6.643","0.005","9.372","0.005","15.311","0.005","74.975","0.005","86.258","0.005","69.921","0.005","864.4","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Pentacarbonyl-cyclohexylamino-furan-2-yl-methyledene-tungsten","","- C16 H15 N O6 W -","- C16 H15 N O6 W -","- C32 H30 N2 O12 W2 -","2","1","","Landman, Marilé; Pretorius, René; Buitendach, Blenerhassitt E.; van Rooyen, Petrus H.; Conradie, Jeanet","Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials","Organometallics","2013","32","19","5491","","10.1021/om400778z","","","0.71069","MoKα","","0.0313","0.0299","","","0.0707","0.0715","","","","","","1.109","","","","has coordinates","243700","2020-10-21","18:00:00",""
"4089611","9.4682","0.0004","7.6448","0.0003","9.7945","0.0004","90","","99.547","0.002","90","","699.13","0.05","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H8 O6 S W -","- C12 H8 O6 S W -","- C24 H16 O12 S2 W2 -","2","0.5","","Landman, Marilé; Pretorius, René; Buitendach, Blenerhassitt E.; van Rooyen, Petrus H.; Conradie, Jeanet","Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials","Organometallics","2013","32","19","5491","","10.1021/om400778z","","","0.71073","MoKα","","0.0276","0.0241","","","0.0541","0.0557","","","","","","1.247","","","","has coordinates","243701","2020-10-21","18:00:00",""
"4089612","7.6044","0.0009","12.0731","0.0007","14.8012","0.0005","90","","90","","90","","1358.88","0.18","150","2","150","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C12 H8 O7 W -","- C12 H8 O7 W -","- C48 H32 O28 W4 -","4","0.5","","Landman, Marilé; Pretorius, René; Buitendach, Blenerhassitt E.; van Rooyen, Petrus H.; Conradie, Jeanet","Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials","Organometallics","2013","32","19","5491","","10.1021/om400778z","","","0.71073","MoKα","","0.0286","0.025","","","0.0581","0.0592","","","","","","1.13","","","","has coordinates","243702","2020-10-21","18:00:00",""
"4089613","17.891","0.004","13.435","0.004","27.024","0.01","90","","90","","90","","6496","3","110","","110","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H34 Cl2 N2 O2 P2 Pt -","- C36 H34 Cl2 N2 O2 P2 Pt -","- C288 H272 Cl16 N16 O16 P16 Pt8 -","8","1","","Nasser, Nasser; Boyle, Paul D.; Puddephatt, Richard J.","Organoplatinum Chemistry with a Dicarboxamide‒Diphosphine Ligand: Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal‒Metal Donor‒Acceptor Bonds","Organometallics","2013","32","19","5504","","10.1021/om400780q","","","0.71073","MoKα","","0.086","0.0432","","","0.0747","0.0864","","","","","","1.026","","","","has coordinates","243703","2020-10-21","18:00:00",""
"4089614","17.917","0.008","13.679","0.005","27.254","0.008","90","","90","","90","","6680","4","110","","110","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H40 N2 O2 P2 Pt -","- C38 H40 N2 O2 P2 Pt -","- C304 H320 N16 O16 P16 Pt8 -","8","1","","Nasser, Nasser; Boyle, Paul D.; Puddephatt, Richard J.","Organoplatinum Chemistry with a Dicarboxamide‒Diphosphine Ligand: Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal‒Metal Donor‒Acceptor Bonds","Organometallics","2013","32","19","5504","","10.1021/om400780q","","","0.71073","MoKα","","0.0911","0.0435","","","0.0741","0.0874","","","","","","1.02","","","","has coordinates","243703","2020-10-21","18:00:00",""
"4089615","10.553","0.003","11.403","0.005","17.128","0.006","107.47","0.012","95.493","0.016","102.81","0.009","1887.7","1.2","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C78 H82 Cl6 N4 O4 P4 Pt2 -","- C78 H82 Cl6 N4 O4 P4 Pt2 -","- C78 H82 Cl6 N4 O4 P4 Pt2 -","1","0.5","","Nasser, Nasser; Boyle, Paul D.; Puddephatt, Richard J.","Organoplatinum Chemistry with a Dicarboxamide‒Diphosphine Ligand: Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal‒Metal Donor‒Acceptor Bonds","Organometallics","2013","32","19","5504","","10.1021/om400780q","","","0.71073","MoKα","","0.0925","0.0502","","","0.0842","0.0972","","","","","","0.976","","","","has coordinates","243703","2020-10-21","18:00:00",""
"4089616","22.009","0.005","10.033","0.003","39.55","0.009","90","","90","","90","","8733","4","110","","110","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C82 H88 Cl12 N4 O4 P4 Pt4 -","- C82 H88 Cl12 N4 O4 P4 Pt4 -","- C328 H352 Cl48 N16 O16 P16 Pt16 -","4","1","","Nasser, Nasser; Boyle, Paul D.; Puddephatt, Richard J.","Organoplatinum Chemistry with a Dicarboxamide‒Diphosphine Ligand: Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal‒Metal Donor‒Acceptor Bonds","Organometallics","2013","32","19","5504","","10.1021/om400780q","","","0.71073","MoKα","","0.0816","0.044","","","0.0788","0.0902","","","","","","1.017","","","","has coordinates,has disorder","243703","2020-10-21","18:00:00",""
"4089617","9.911","0.003","14.069","0.004","15.101","0.004","89.381","0.015","74.692","0.014","87.635","0.015","2029.2","1","110","","110","","","","","","","","","9","P -1","-P 1","2","","","","- C85.69 H81.07 Ag2 F6 N4 O9.67 P4 Pt2 S1.85 -","- C85.6904 H81.0712 Ag1.9998 F6 N4 O9.6706 P4 Pt2 S1.8452 -","- C85.6904 H81.0712 Ag1.9998 F6 N4 O9.6706 P4 Pt2 S1.8452 -","1","0.5","","Nasser, Nasser; Boyle, Paul D.; Puddephatt, Richard J.","Organoplatinum Chemistry with a Dicarboxamide‒Diphosphine Ligand: Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal‒Metal Donor‒Acceptor Bonds","Organometallics","2013","32","19","5504","","10.1021/om400780q","","","0.71073","MoKα","","0.0606","0.0419","","","0.0912","0.0979","","","","","","1.053","","","","has coordinates,has disorder","243703","2020-10-21","18:00:00",""
"4089618","13.121","0.004","13.167","0.003","27.262","0.006","90.921","0.016","102.291","0.011","119.341","0.005","3971.3","1.8","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C80 H64 Ag4 F12 N4 O12 P4 Pt2 -","- C80 H64 Ag4 F12 N4 O12 P4 Pt2 -","- C160 H128 Ag8 F24 N8 O24 P8 Pt4 -","2","1","","Nasser, Nasser; Boyle, Paul D.; Puddephatt, Richard J.","Organoplatinum Chemistry with a Dicarboxamide‒Diphosphine Ligand: Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal‒Metal Donor‒Acceptor Bonds","Organometallics","2013","32","19","5504","","10.1021/om400780q","","","0.71073","MoKα","","0.0809","0.0431","","","0.063","0.0707","","","","","","1.04","","","","has coordinates","243703","2020-10-21","18:00:00",""
"4089619","9.969","0.003","27.047","0.007","14.116","0.003","90","","92.31","0.008","90","","3803","1.7","110","","110","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C40.5 H41.5 Cl1.5 F1.5 N2.5 O4 P2 Pt -","- C40.5 H41.5 Cl1.5 F1.5 N2.5 O4 P2 Pt -","- C162 H166 Cl6 F6 N10 O16 P8 Pt4 -","4","2","","Nasser, Nasser; Boyle, Paul D.; Puddephatt, Richard J.","Organoplatinum Chemistry with a Dicarboxamide‒Diphosphine Ligand: Hydrogen Bonding, Cyclometalation, and a Complex with Two Metal‒Metal Donor‒Acceptor Bonds","Organometallics","2013","32","19","5504","","10.1021/om400780q","","","0.71073","MoKα","","0.0495","0.0381","","","0.0735","0.0765","","","","","","1.027","","","","has coordinates,has disorder","243703","2020-10-21","18:00:00",""
"4089620","11.5802","0.0007","32.3113","0.0019","12.4403","0.0007","90","","95.721","0.001","90","","4631.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54.5 H64 O3 W -","- C54.5 H64 O3 W -","- C218 H256 O12 W4 -","4","1","","Peryshkov, Dmitry V.; Forrest, William P.; Schrock, Richard R.; Smith, Stacey J.; Müller, Peter","B(C6F5)3 Activation of Oxo Tungsten Complexes That Are Relevant to Olefin Metathesis","Organometallics","2013","32","19","5256","","10.1021/om4007906","","","0.71073","MoKα","","0.0437","0.0336","","","0.0827","0.0888","","","","","","1.05","","","","has coordinates,has disorder","243704","2020-10-21","18:00:00",""
"4089621","23.8965","0.0016","22.8988","0.0016","24.2316","0.0017","90","","102.704","0.001","90","","12935","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C64.96 H93.5 O3 W -","- C64.9605 H93.5052 O3 W -","- C519.684 H748.042 O24 W8 -","8","1","","Peryshkov, Dmitry V.; Forrest, William P.; Schrock, Richard R.; Smith, Stacey J.; Müller, Peter","B(C6F5)3 Activation of Oxo Tungsten Complexes That Are Relevant to Olefin Metathesis","Organometallics","2013","32","19","5256","","10.1021/om4007906","","","0.71073","MoKα","","0.0734","0.0428","","","0.0992","0.1147","","","","","","1.033","","","","has coordinates,has disorder","243705","2020-10-21","18:00:00",""
"4089622","9.6315","0.0012","12.1481","0.0014","12.322","0.0015","90","","90","","90","","1441.7","0.3","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 Mo N O -","- C15 H23 Mo N O -","- C60 H92 Mo4 N4 O4 -","4","1","","Lefèvre, Guillaume P.; Baillie, Rhett A.; Fabulyak, Diana; Legzdins, Peter","Insights into the Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*W(NO)(η3-allyl)(CH2CMe3) Complexes","Organometallics","2013","32","19","5561","","10.1021/om4007938","","","0.71073","MoKα","","0.0274","0.0221","","","0.0498","0.0519","","","","","","1.017","","","","has coordinates,has disorder","243706","2020-10-21","18:00:00",""
"4089623","8.8952","0.0017","12.62","0.003","21.126","0.004","90","","98.865","0.004","90","","2343.2","0.8","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 N O P W -","- C24 H38 N O P W -","- C96 H152 N4 O4 P4 W4 -","4","1","","Lefèvre, Guillaume P.; Baillie, Rhett A.; Fabulyak, Diana; Legzdins, Peter","Insights into the Intermolecular C‒H Activations of Hydrocarbons Initiated by Cp*W(NO)(η3-allyl)(CH2CMe3) Complexes","Organometallics","2013","32","19","5561","","10.1021/om4007938","","x-ray","0.71073","MoKα","","0.0334","0.0304","","","0.0712","0.0725","","","","","","1.07","","","","has coordinates","243706","2020-10-21","18:00:00",""
"4089624","15.7297","0.0007","19.8722","0.0007","25.1292","0.0011","90","","102.033","0.003","90","","7682.4","0.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C152.43 H215.1 F6 I2 Ni4 O6 P6 S2 -","- C152 H214.688 F6 I2 Ni4 O6 P6 S2 -","- C304 H429.376 F12 I4 Ni8 O12 P12 S4 -","2","0.5","","Suseno, Sandy; Horak, Kyle T.; Day, Michael W.; Agapie, Theodor","Trinuclear Nickel Complexes with Metal-Arene Interactions Supported by Tris- and Bis(phosphinoaryl)benzene Frameworks.","Organometallics","2013","32","23","6883","6886","10.1021/om400976x","","","0.71073","MoKα","","0.1024","0.0552","","","0.1433","0.1733","","","","","","1.029","","","","has coordinates,has disorder","243707","2020-10-21","18:00:00",""
"4089625","13.2841","0.0006","31.8372","0.0015","14.5613","0.0007","90","","109.132","0.002","90","","5818.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H86 I2 Ni3 P3 -","- C57 H86 I2 Ni3 P3 -","- C228 H344 I8 Ni12 P12 -","4","1","","Suseno, Sandy; Horak, Kyle T.; Day, Michael W.; Agapie, Theodor","Trinuclear Nickel Complexes with Metal-Arene Interactions Supported by Tris- and Bis(phosphinoaryl)benzene Frameworks.","Organometallics","2013","32","23","6883","6886","10.1021/om400976x","","","0.71073","MoKα","","0.0364","0.0274","","","0.0462","0.0468","","","","","","1.9","","","","has coordinates","243708","2020-10-21","18:00:00",""
"4089626","13.2747","0.0006","14.3889","0.0006","17.016","0.0007","90","","90","","90","","3250.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 Ni3 O4 P2 -","- C34 H40 Ni3 O4 P2 -","- C136 H160 Ni12 O16 P8 -","4","1","","Suseno, Sandy; Horak, Kyle T.; Day, Michael W.; Agapie, Theodor","Trinuclear Nickel Complexes with Metal-Arene Interactions Supported by Tris- and Bis(phosphinoaryl)benzene Frameworks.","Organometallics","2013","32","23","6883","6886","10.1021/om400976x","","","0.71073","MoKα","","0.0464","0.0344","","","0.0615","0.0635","","","","","","1.09","","","","has coordinates","243709","2020-10-21","18:00:00",""
"4089627","18.977","0.008","13.886","0.005","24.819","0.012","90","","107.965","0.013","90","","6221","5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H87 N Ni3 O4 P3 -","- C62.088 H90.264 N Ni3 O3 P3 -","- C248.352 H361.056 N4 Ni12 O12 P12 -","4","1","","Suseno, Sandy; Horak, Kyle T.; Day, Michael W.; Agapie, Theodor","Trinuclear Nickel Complexes with Metal-Arene Interactions Supported by Tris- and Bis(phosphinoaryl)benzene Frameworks.","Organometallics","2013","32","23","6883","6886","10.1021/om400976x","","","0.71073","MoKα","","0.0919","0.0514","","","0.136","0.1609","","","","","","1.084","","","","has coordinates,has disorder","243710","2020-10-21","18:00:00",""
"4089637","8.09","0.005","5.999","0.004","18.801","0.011","90","","99.863","0.012","90","","899","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 Br N O -","- C9 H10 Br N O -","- C36 H40 Br4 N4 O4 -","4","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Cyclopalladated Complexes Derived from Phenylacetone Oxime. Insertion Reactions of Carbon Monoxide, Isocyanides, and Alkynes. Novel Amidines of the Isoquinoline Series","Organometallics","2013","32","24","7612","","10.1021/om4010912","","","0.71073","MoKα","","0.0376","0.0325","","","0.1015","0.1055","","","","","","1.06","","","","has coordinates","243712","2020-10-21","18:00:00",""
"4089638","9.552","0.002","12.34","0.003","13.006","0.003","89.319","0.004","79.561","0.005","78.763","0.004","1478.3","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Br N3 O2 Pd -","- C30 H40 Br N3 O2 Pd -","- C60 H80 Br2 N6 O4 Pd2 -","2","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Cyclopalladated Complexes Derived from Phenylacetone Oxime. Insertion Reactions of Carbon Monoxide, Isocyanides, and Alkynes. Novel Amidines of the Isoquinoline Series","Organometallics","2013","32","24","7612","","10.1021/om4010912","","","0.71073","MoKα","","0.0381","0.0312","","","0.0723","0.0763","","","","","","1.039","","","","has coordinates","243712","2020-10-21","18:00:00",""
"4089639","18.3","0.007","15.977","0.006","20.88","0.008","90","","90","","90","","6105","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H17 Br N2 O Pd -","- C15 H17 Br N2 O Pd -","- C240 H272 Br16 N32 O16 Pd16 -","16","2","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Cyclopalladated Complexes Derived from Phenylacetone Oxime. Insertion Reactions of Carbon Monoxide, Isocyanides, and Alkynes. Novel Amidines of the Isoquinoline Series","Organometallics","2013","32","24","7612","","10.1021/om4010912","","","0.71073","MoKα","","0.0568","0.0379","","","0.0888","0.0992","","","","","","1.049","","","","has coordinates","243712","2020-10-21","18:00:00",""
"4089640","23.294","0.009","9.519","0.004","15.175","0.006","90","","119.701","0.006","90","","2923","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Br N2 O Pd -","- C15 H15 Br N2 O Pd -","- C120 H120 Br8 N16 O8 Pd8 -","8","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Cyclopalladated Complexes Derived from Phenylacetone Oxime. Insertion Reactions of Carbon Monoxide, Isocyanides, and Alkynes. Novel Amidines of the Isoquinoline Series","Organometallics","2013","32","24","7612","","10.1021/om4010912","","","0.71073","MoKα","","0.041","0.032","","","0.0756","0.0802","","","","","","1.027","","","","has coordinates","243712","2020-10-21","18:00:00",""
"4089641","10.497","0.003","21.965","0.006","15.325","0.004","90","","90","","90","","3533.4","1.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H40 Cl N3 O9 Pd -","- C33 H40 Cl N3 O9 Pd -","- C132 H160 Cl4 N12 O36 Pd4 -","4","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Cyclopalladated Complexes Derived from Phenylacetone Oxime. Insertion Reactions of Carbon Monoxide, Isocyanides, and Alkynes. Novel Amidines of the Isoquinoline Series","Organometallics","2013","32","24","7612","","10.1021/om4010912","","","0.71073","MoKα","","0.0321","0.0286","","","0.0651","0.0668","","","","","","1.051","","","","has coordinates,has disorder","243712","2020-10-21","18:00:00",""
"4089642","9.697","0.003","9.8","0.003","11.411","0.003","93.134","0.004","91.125","0.004","99.336","0.004","1068","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H23 Br N2 O5 Pd -","- C21 H23 Br N2 O5 Pd -","- C42 H46 Br2 N4 O10 Pd2 -","2","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Cyclopalladated Complexes Derived from Phenylacetone Oxime. Insertion Reactions of Carbon Monoxide, Isocyanides, and Alkynes. Novel Amidines of the Isoquinoline Series","Organometallics","2013","32","24","7612","","10.1021/om4010912","","","0.71073","MoKα","","0.0337","0.0299","","","0.0741","0.0767","","","","","","1.033","","","","has coordinates","243712","2020-10-21","18:00:00",""
"4089643","22.8363","0.0013","29.1588","0.0016","27.6123","0.0016","90","","99.002","0.002","90","","18160","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C170 H162 N22 O30.5 Pd4 -","- C170 H162 N22 O30.5 Pd4 -","- C680 H648 N88 O122 Pd16 -","4","1","","Abellán-López, Antonio; Chicote, María-Teresa; Bautista, Delia; Vicente, José","Cyclopalladated Complexes Derived from Phenylacetone Oxime. Insertion Reactions of Carbon Monoxide, Isocyanides, and Alkynes. Novel Amidines of the Isoquinoline Series","Organometallics","2013","32","24","7612","","10.1021/om4010912","","","0.71073","MoKα","","0.125","0.06","","","0.1225","0.1395","","","","","","0.978","","","","has coordinates,has disorder","243712","2020-10-21","18:00:00",""
"4089644","13.4679","0.0006","12.2233","0.0004","15.1681","0.0007","90","","110.407","0.005","90","","2340.29","0.18","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 B2 P2 -","- C20 H42 B2 P2 -","- C80 H168 B8 P8 -","4","1","","Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich","Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers","Organometallics","2013","33","1","378","","10.1021/om4011142","","","0.7107","MoKα","","0.0389","0.0309","","","0.0757","0.0814","","","","","","1.047","","","","has coordinates","243713","2020-10-21","18:00:00",""
"4089645","12.0666","0.0009","17.2892","0.0015","18.9818","0.0014","90","","93.807","0.006","90","","3951.3","0.5","150.15","","150.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 B2 Li2 N4 P2 -","- C32 H72 B2 Li2 N4 P2 -","- C128 H288 B8 Li8 N16 P8 -","4","1","","Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich","Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers","Organometallics","2013","33","1","378","","10.1021/om4011142","","","0.7107","MoKα","","0.0881","0.0564","","","0.126","0.1329","","","","","","0.89","","","","has coordinates","243713","2020-10-21","18:00:00",""
"4089646","16.4751","0.001","11.6808","0.0005","19.7554","0.0009","90","","110.357","0.006","90","","3564.3","0.3","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H64 B2 K N3 P2 -","- C29 H64 B2 K N3 P2 -","- C116 H256 B8 K4 N12 P8 -","4","1","","Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich","Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers","Organometallics","2013","33","1","378","","10.1021/om4011142","","","0.7107","MoKα","","0.0597","0.0415","","","0.0913","0.1012","","","","","","1.018","","","","has coordinates,has disorder","243713","2020-10-21","18:00:00",""
"4089647","21.2669","0.0006","16.6747","0.0005","14.4678","0.0004","90","","97.244","0.003","90","","5089.6","0.3","150","2","150.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C93 H128 B4 Li4 N8 O P4 -","- C93 H128 B4 Li4 N8 O P4 -","- C186 H256 B8 Li8 N16 O2 P8 -","2","0.25","","Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich","Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers","Organometallics","2013","33","1","378","","10.1021/om4011142","","","0.7107","MoKα","","0.0816","0.0554","","","0.1773","0.1888","","","","","","0.97","","","","has coordinates,has disorder","243713","2020-10-21","18:00:00",""
"4089648","12.1193","0.0005","17.3072","0.0005","15.3776","0.0007","90","","112.794","0.005","90","","2973.6","0.2","150.15","","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H104 B2 Li2 N4 P2 -","- C58 H104 B2 Li2 N4 P2 -","- C116 H208 B4 Li4 N8 P4 -","2","1","","Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich","Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers","Organometallics","2013","33","1","378","","10.1021/om4011142","","","0.7107","MoKα","","0.068","0.0486","","","0.0918","0.1013","","","","","","1.037","","","","has coordinates","243713","2020-10-21","18:00:00",""
"4089649","18.8732","0.0006","21.7626","0.0007","14.3884","0.0004","90","","92.401","0.003","90","","5904.6","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H102 B2 K2 N6 P2 -","- C50 H102 B2 K2 N6 P2 -","- C200 H408 B8 K8 N24 P8 -","4","1","","Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich","Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers","Organometallics","2013","33","1","378","","10.1021/om4011142","","","0.7107","MoKα","","0.0703","0.0462","","","0.1017","0.1152","","","","","","1.015","","","","has coordinates,has disorder","243713","2020-10-21","18:00:00",""
"4089650","6.1097","0.0007","6.3338","0.0009","15.3651","0.0014","93.414","0.009","90.514","0.008","117.629","0.013","525.41","0.12","150.15","","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H38 B2 P2 Si2 -","- C12 H38 B2 P2 Si2 -","- C12 H38 B2 P2 Si2 -","1","0.5","","Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich","Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers","Organometallics","2013","33","1","378","","10.1021/om4011142","","","1.5418","CuKα","","0.0416","0.0356","","","0.0885","0.0927","","","","","","1.074","","","","has coordinates","243713","2020-10-21","18:00:00",""
"4089651","10.3857","0.0006","10.558","0.0006","13.2588","0.0008","94.78","0.005","104.055","0.005","112.142","0.005","1281.35","0.15","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H76 B2 Li2 O4 P2 Si2 -","- C48 H76 B2 Li2 O4 P2 Si2 -","- C48 H76 B2 Li2 O4 P2 Si2 -","1","0.5","","Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich","Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers","Organometallics","2013","33","1","378","","10.1021/om4011142","","","0.7107","MoKα","","0.073","0.0579","","","0.1556","0.1689","","","","","","1.035","","","","has coordinates,has disorder","243713","2020-10-21","18:00:00",""
"4089652","23.4801","0.0012","48.364","0.004","10.4193","0.0005","90","","90","","90","","11832.1","1.3","150.15","","150.15","","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C50 H90 B2 K2 N6 P2 Si2 -","- C50 H90 B2 K2 N6 P2 Si2 -","- C400 H720 B16 K16 N48 P16 Si16 -","8","0.5","","Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich","Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers","Organometallics","2013","33","1","378","","10.1021/om4011142","","","0.7107","MoKα","","0.057","0.0502","","","0.1194","0.1245","","","","","","1.056","","","","has coordinates,has disorder","243713","2020-10-21","18:00:00",""
"4089714","8.9141","0.0015","30.893","0.005","10.0997","0.0016","90","","102.203","0.004","90","","2718.4","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cr2 N2 O10 S2 -","- C20 H20 Cr2 N2 O10 S2 -","- C80 H80 Cr8 N8 O40 S8 -","4","1","","Sugaya, Tomoaki; Ohba, Takeshi; Sai, Fumiya; Mashima, Shigeru; Fujihara, Takashi; Unoura, Kei; Nagasawa, Akira","Syntheses and Properties of Dinuclear Group 6 Metal Complexes with the Zwitterionic Sulfur Donor Ligand Bis(N,N-diethylamino)carbeniumdithiocarboxylate","Organometallics","2013","32","12","3441","","10.1021/om300831y","","","0.71073","MoKα","","0.0862","0.0438","","","0.1068","0.1287","","","","","","0.991","","","","has coordinates","243734","2020-10-21","18:00:00",""
"4089715","15.662","0.0009","9.8692","0.0006","17.9998","0.0011","90","","95.036","0.001","90","","2771.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O10 S2 W2 -","- C20 H20 N2 O10 S2 W2 -","- C80 H80 N8 O40 S8 W8 -","4","1","","Sugaya, Tomoaki; Ohba, Takeshi; Sai, Fumiya; Mashima, Shigeru; Fujihara, Takashi; Unoura, Kei; Nagasawa, Akira","Syntheses and Properties of Dinuclear Group 6 Metal Complexes with the Zwitterionic Sulfur Donor Ligand Bis(N,N-diethylamino)carbeniumdithiocarboxylate","Organometallics","2013","32","12","3441","","10.1021/om300831y","","","0.71073","MoKα","","0.0419","0.0333","","","0.0774","0.0814","","","","","","0.925","","","","has coordinates","243734","2020-10-21","18:00:00",""
"4089716","26.1434","0.0015","7.7432","0.0005","26.1944","0.0015","90","","90.927","0.001","90","","5301.9","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H20 N2 S2 -","- C10 H20 N2 S2 -","- C160 H320 N32 S32 -","16","2","","Sugaya, Tomoaki; Ohba, Takeshi; Sai, Fumiya; Mashima, Shigeru; Fujihara, Takashi; Unoura, Kei; Nagasawa, Akira","Syntheses and Properties of Dinuclear Group 6 Metal Complexes with the Zwitterionic Sulfur Donor Ligand Bis(N,N-diethylamino)carbeniumdithiocarboxylate","Organometallics","2013","32","12","3441","","10.1021/om300831y","","","0.71073","MoKα","","0.0474","0.0365","","","0.0988","0.1027","","","","","","1.066","","","","has coordinates","243734","2020-10-21","18:00:00",""
"4119137","21.9198","0.0006","16.2998","0.0005","36.9045","0.0011","90","","98.513","0.002","90","","13040.3","0.7","100","2","100.01","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H49 F24 N7 P4 -","- C54 H49 F24 N7 P4 -","- C432 H392 F192 N56 P32 -","8","1","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54184","CuKα","","0.0989","0.0825","","","0.2283","0.2419","","","","","","1.089","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119138","10.0901","0.0003","11.3816","0.0003","18.0816","0.0005","71.694","0.001","79.448","0.001","65.81","0.001","1794.77","0.09","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H65 F24 N7 P4 -","- C74 H65 F24 N7 P4 -","- C74 H65 F24 N7 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54178","CuKα","","0.0554","0.0543","","","0.1456","0.1468","","","","","","1.05","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119139","11.1737","0.0003","18.9646","0.0005","33.8761","0.0008","90","","90.818","0.001","90","","7177.8","0.3","100","2","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C80 H66 F24 N6 P4 -","- C80 H66 F24 N6 P4 -","- C320 H264 F96 N24 P16 -","4","1","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54178","CuKα","","0.0519","0.0383","","","0.0954","0.1068","","","","","","1.036","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119140","11.247","0.007","19.121","0.013","33.7","0.02","90","","90.897","0.014","90","","7246","8","100","2","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H66 F24 N6 P4 -","- C80 H66 F24 N6 P4 -","- C320 H264 F96 N24 P16 -","4","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54178","CuKα","","0.0544","0.0503","","","0.1328","0.1414","","","","","","1.096","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119141","9.9257","0.0003","10.7247","0.0004","18.0555","0.0006","97.803","0.001","91.899","0.001","103.705","0.001","1845.74","0.11","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H66 F24 N6 P4 -","- C84 H66 F24 N6 P4 -","- C84 H66 F24 N6 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54184","CuKα","","0.0346","0.0325","","","0.0895","0.0929","","","","","","1.031","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119142","10.14","0.0003","11.2521","0.0003","17.944","0.0005","72.2804","0.0017","86.5349","0.0017","65.818","0.0015","1774.21","0.09","105","2","105.36","","","","","","","","","5","P -1","-P 1","2","","","","- C75 H68 F24 N6 P4 -","- C75 H68 F24 N6 P4 -","- C75 H68 F24 N6 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54178","CuKα","","0.0736","0.0647","","","0.1766","0.1889","","","","","","1.052","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119143","10.1427","0.0004","11.1096","0.0004","17.953","0.0007","74.054","0.002","84.44","0.002","64.486","0.002","1754.9","0.12","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H55 F24 N7 P4 -","- C63 H55 F24 N7 P4 -","- C63 H55 F24 N7 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54178","CuKα","","0.1224","0.1085","","","0.3481","0.3728","","","","","","1.686","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119144","11.0174","0.0005","14.5789","0.0007","24.2587","0.0012","90","","98.998","0.002","90","","3848.5","0.3","100","2","99.97","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H70 F24 N10 P4 -","- C78 H70 F24 N10 P4 -","- C156 H140 F48 N20 P8 -","2","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","0.71073","MoKα","","0.0921","0.0825","","","0.1886","0.1924","","","","","","1.154","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119145","10.5607","0.0006","11.1014","0.0006","18.0247","0.0011","72.955","0.004","82.376","0.005","63.569","0.004","1809.17","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H58 F24 N6 P4 -","- C70 H58 F24 N6 P4 -","- C70 H58 F24 N6 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54178","CuKα","","0.1656","0.1251","","","0.3593","0.3872","","","","","","1.444","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119146","10.0194","0.0012","10.7702","0.0013","18.071","0.002","73.537","0.006","74.926","0.006","70.374","0.004","1731.9","0.4","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H61 F24 N7 P4 -","- C72 H61 F24 N7 P4 -","- C72 H61 F24 N7 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","0.71073","MoKα","","0.203","0.0991","","","0.2832","0.3311","","","","","","1.05","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119147","20.9571","0.0005","17.985","0.0005","22.8829","0.0006","90","","107.919","0.001","90","","8206.5","0.4","100","2","99.97","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C82 H73 F24 N11 P4 -","- C82 H73 F24 N11 P4 -","- C328 H292 F96 N44 P16 -","4","1","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","1.54184","CuKα","","0.0657","0.0645","","","0.1675","0.1682","","","","","","1.133","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119148","10.5729","0.0006","14.3172","0.0007","14.7328","0.0008","102.508","0.003","93.376","0.003","109.336","0.003","2033.7","0.2","100","2","99.97","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H73 F24 N11 P4 -","- C86 H73 F24 N11 P4 -","- C86 H73 F24 N11 P4 -","1","0.5","","Jonathan C. Barnes; Michal Juríček; Nathan L. Strutt; Marco Frasconi; Srinivasan Sampath; Marc A. Giesener; Psaras L. McGrier; Carson J. Bruns; Charlotte L. Stern; Amy A. Sarjeant; J. Fraser Stoddart","ExBox: A Polycyclic Aromatic Hydrocarbon Scavenger","Journal of the American Chemical Society","2013","135","","183","192","10.1021/ja307360n","","","0.71073","MOKα","","0.0862","0.0459","","","0.0832","0.0938","","","","","","0.837","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119149","4.04976","0.00006","3.99218","0.00006","4.02076","0.00007","90","","90.1012","0.0027","90","","65.005","0.0018","","","","","","","","","","","","3","P 1 m 1","P -2y","6","","","","- K Nb O3 -","- K Nb O3 -","- K Nb O3 -","1","0.5","","Seungwook Kim; Ju-Hyuck Lee; Jaeyeon Lee; Sang-Woo Kim; Myung Hwa Kim; Sungnam Park; Haegeun Chung; Yong-Il Kim; Woong Kim","Synthesis of Monoclinic Potassium Niobate Nanowires That Are Stable at Room Temperature","Journal of the American Chemical Society","2013","135","","6","9","10.1021/ja308209m","powder diffraction","neutron,x-ray","1.7889","Kα~1~","","","","","","","","","","1.23","","","","","","","has coordinates,has Fobs","178962","2020-10-21","18:00:00",""
"4119150","8.167","0.0004","9.822","0.0005","28.7845","0.0015","84.5478","0.0015","81.1159","0.0016","70.5933","0.0015","2149.3","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 Cl2 N2 O4 -","- C52 H50 Cl2.01 N2 O4 -","- C104 H100 Cl4.02 N4 O8 -","2","1","","Kenji Kamada; Shin-ichi Fuku-en; Shu Minamide; Koji Ohta; Ryohei Kishi; Masayoshi Nakano; Hiroyuki Matsuzaki; Hiroshi Okamoto; Hiroyuki Higashikawa; Katsuya Inoue; Satoshi Kojima; Yohsuke Yamamoto","Impact of Diradical Character on Two-Photon Absorption: Bis(acridine) Dimers Synthesized from an Allenic Precursor","Journal of the American Chemical Society","2013","135","","232","241","10.1021/ja308396a","","","0.71075","MoKα","","0.0865","0.0613","","","0.1583","0.1751","","","","","","1.034","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119151","15.8946","0.0009","15.9921","0.0009","16.6323","0.0009","82.766","0.001","82.233","0.001","59.085","0.001","3585.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H122 B44 Cl25.3 N6 O8 -","- C108 H98 B44 Cl25.3 N6 O8 -","- C108 H98 B44 Cl25.3 N6 O8 -","1","0.5","","Kenji Kamada; Shin-ichi Fuku-en; Shu Minamide; Koji Ohta; Ryohei Kishi; Masayoshi Nakano; Hiroyuki Matsuzaki; Hiroshi Okamoto; Hiroyuki Higashikawa; Katsuya Inoue; Satoshi Kojima; Yohsuke Yamamoto","Impact of Diradical Character on Two-Photon Absorption: Bis(acridine) Dimers Synthesized from an Allenic Precursor","Journal of the American Chemical Society","2013","135","","232","241","10.1021/ja308396a","","","0.71075","MoKα","","0.1254","0.0833","","","0.2237","0.2541","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119152","10.899","0.005","15.951","0.007","16.719","0.007","73.896","0.005","86.601","0.006","78.579","0.005","2737","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H98 Cl16 N6 O8 Sb4 -","- C104 H98 Cl16 N6 O8 Sb4 -","- C104 H98 Cl16 N6 O8 Sb4 -","1","0.5","","Kenji Kamada; Shin-ichi Fuku-en; Shu Minamide; Koji Ohta; Ryohei Kishi; Masayoshi Nakano; Hiroyuki Matsuzaki; Hiroshi Okamoto; Hiroyuki Higashikawa; Katsuya Inoue; Satoshi Kojima; Yohsuke Yamamoto","Impact of Diradical Character on Two-Photon Absorption: Bis(acridine) Dimers Synthesized from an Allenic Precursor","Journal of the American Chemical Society","2013","135","","232","241","10.1021/ja308396a","","","0.71073","MoKα","","0.1137","0.054","","","0.097","0.1175","","","","","","0.988","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119153","13.7602","0.0004","17.3137","0.0005","20.1132","0.0006","71.596","0.001","81.36","0.001","82.201","0.001","4475.1","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl3 I N2 S -","- C20 H18 Cl3 I N2 S -","- C160 H144 Cl24 I8 N16 S8 -","8","4","","Nathaniel I. Shank; Ha H. Pham; Alan S. Waggoner; Bruce A. Armitage","Twisted Cyanines: A Non-Planar Fluorogenic Dye with Superior Photostability and its Use in a Protein-Based Fluoromodule","Journal of the American Chemical Society","2013","135","","242","251","10.1021/ja308629w","","","1.54178","CuKα","","0.0588","0.056","","","0.1318","0.1337","","","","","","0.997","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119154","19.063","0.0005","14.8769","0.0004","7.352","0.0003","90","","90","","90","","2085.02","0.12","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 I N4 S -","- C22 H19 I N4 S -","- C88 H76 I4 N16 S4 -","4","1","","Nathaniel I. Shank; Ha H. Pham; Alan S. Waggoner; Bruce A. Armitage","Twisted Cyanines: A Non-Planar Fluorogenic Dye with Superior Photostability and its Use in a Protein-Based Fluoromodule","Journal of the American Chemical Society","2013","135","","242","251","10.1021/ja308629w","","","1.54178","CuKα","","0.0327","0.0282","","","0.0777","0.0817","","","","","","0.824","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119155","5.9054","0.0001","16.73","0.0003","13.3212","0.0002","90","","96.165","0.001","90","","1308.49","0.04","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H15 F -","- C18 H15 F -","- C72 H60 F4 -","4","2","","Prantik Maity; Danielle M. Shacklady-McAtee; Glenn P. A. Yap; Eric R. Sirianni; Mary P. Watson","Nickel-Catalyzed Cross Couplings of Benzylic Ammonium Salts and Boronic Acids: Stereospecific Formation of Diarylethanes via C-N Bond Activation","Journal of the American Chemical Society","2013","135","","280","285","10.1021/ja3089422","","","1.54178","CuKα","","0.0259","0.0256","","","0.0743","0.0746","","","","","","1.051","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119156","10.3072","0.0018","11.549","0.002","15.755","0.003","109.485","0.003","93.164","0.003","112.72","0.003","1593.9","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H36 F3 Ni O4 P S -","- C31 H36 F3 Ni O4 P S -","- C62 H72 F6 Ni2 O8 P2 S2 -","2","1","","Prantik Maity; Danielle M. Shacklady-McAtee; Glenn P. A. Yap; Eric R. Sirianni; Mary P. Watson","Nickel-Catalyzed Cross Couplings of Benzylic Ammonium Salts and Boronic Acids: Stereospecific Formation of Diarylethanes via C-N Bond Activation","Journal of the American Chemical Society","2013","135","","280","285","10.1021/ja3089422","","","0.71073","MoKα","","0.0693","0.0486","","","0.1207","0.1341","","","","","","1.051","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119157","9.9847","0.0015","12.0015","0.0018","15.433","0.002","69.605","0.002","86.8","0.002","81.055","0.002","1712.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H80 B2 F8 N4 O16 -","- C70 H80 B2 F8 N4 O16 -","- C70 H80 B2 F8 N4 O16 -","1","0.5","","Natalie D. Suhan; Stephen J. Loeb; S. Holger Eichhorn","Mesomorphic [2]Rotaxanes: Sheltering Ionic Cores with Interlocking Components","Journal of the American Chemical Society","2013","135","","400","408","10.1021/ja309558p","","","0.71073","MoKα","","0.0878","0.0641","","","0.159","0.1753","","","","","","1.021","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119158","12.442","0.003","16.488","0.004","20.443","0.005","104.939","0.003","90.035","0.003","91.766","0.003","4049.9","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H77 F12 N5 O29 S4 -","- C74 H77 F12 N5 O29 S4 -","- C148 H154 F24 N10 O58 S8 -","2","1","","Natalie D. Suhan; Stephen J. Loeb; S. Holger Eichhorn","Mesomorphic [2]Rotaxanes: Sheltering Ionic Cores with Interlocking Components","Journal of the American Chemical Society","2013","135","","400","408","10.1021/ja309558p","","","0.71073","MoKα","","0.0981","0.0808","","","0.2165","0.2277","","","","","","1.072","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119159","7.889","0.005","8.303","0.005","14.135","0.008","77.9","0.007","78.893","0.007","68.444","0.008","835.2","0.9","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H42 Cl2 F2 N4 O2 Rh2 -","- C34 H42 Cl2 F2 N4 O2 Rh2 -","- C34 H42 Cl2 F2 N4 O2 Rh2 -","1","0.5","","Baoqing Liu; Yang Fan; Yang Gao; Chao Sun; Cheng Xu; Jin Zhu","Rhodium(III)-Catalyzed N-Nitroso-Directed C-H Olefination of Arenes. High-Yield, Versatile Coupling under Mild Conditions","Journal of the American Chemical Society","2013","135","","468","473","10.1021/ja3099245","","","0.71073","MoKα","","0.0511","0.0432","","","0.1361","0.1527","","","","","","1.177","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119160","11.8521","0.0004","11.4984","0.0004","13.7899","0.0005","90","","104.612","0.004","90","","1818.51","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H58 Al2 Cl6 N2 O4 -","- C24 H58 Al2 Cl6 N2 O4 -","- C48 H116 Al4 Cl12 N4 O8 -","2","0.5","","Viktor Bagutski; Alessandro Del Grosso; Josue Ayuso Carrillo; Ian A. Cade; Matthew D. Helm; James R. Lawson; Paul J. Singleton; Sophia A. Solomon; Tommaso Marcelli; Michael J. Ingleson","Mechanistic Studies into Amine-Mediated Electrophilic Arene Borylation and Its Application in MIDA Boronate Synthesis","Journal of the American Chemical Society","2013","135","","474","487","10.1021/ja3100963","","","0.71073","MoKα","","0.0495","0.032","","","0.0681","0.0705","","","","","","0.901","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119161","6.9213","0.0004","7.6026","0.0004","17.3776","0.001","85.607","0.005","87.046","0.005","80.595","0.005","898.76","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H15 Al B Cl4 N O2 -","- C14 H15 Al B Cl4 N O2 -","- C28 H30 Al2 B2 Cl8 N2 O4 -","2","1","","Viktor Bagutski; Alessandro Del Grosso; Josue Ayuso Carrillo; Ian A. Cade; Matthew D. Helm; James R. Lawson; Paul J. Singleton; Sophia A. Solomon; Tommaso Marcelli; Michael J. Ingleson","Mechanistic Studies into Amine-Mediated Electrophilic Arene Borylation and Its Application in MIDA Boronate Synthesis","Journal of the American Chemical Society","2013","135","","474","487","10.1021/ja3100963","","","0.71073","MoKα","","0.0474","0.0389","","","0.1039","0.1072","","","","","","0.975","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119162","25.828","0.005","11.176","0.004","25.728","0.005","90","0.005","109.39","0.005","90","0.005","7005","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 B F3 N O5 S -","- C15 H15 B F3 N O5 S -","- C240 H240 B16 F48 N16 O80 S16 -","16","2","","Viktor Bagutski; Alessandro Del Grosso; Josue Ayuso Carrillo; Ian A. Cade; Matthew D. Helm; James R. Lawson; Paul J. Singleton; Sophia A. Solomon; Tommaso Marcelli; Michael J. Ingleson","Mechanistic Studies into Amine-Mediated Electrophilic Arene Borylation and Its Application in MIDA Boronate Synthesis","Journal of the American Chemical Society","2013","135","","474","487","10.1021/ja3100963","","","0.71073","MoKα","","0.1267","0.066","","","0.1581","0.1724","","","","","","0.966","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119163","13.8192","0.0008","25.5354","0.0017","16.8644","0.0009","90","","71.809","0.006","90","","5653.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H25 B12 Br6 N O2 -","- C13 H25 B12 Br6 N O2 -","- C104 H200 B96 Br48 N8 O16 -","8","2","","Viktor Bagutski; Alessandro Del Grosso; Josue Ayuso Carrillo; Ian A. Cade; Matthew D. Helm; James R. Lawson; Paul J. Singleton; Sophia A. Solomon; Tommaso Marcelli; Michael J. Ingleson","Mechanistic Studies into Amine-Mediated Electrophilic Arene Borylation and Its Application in MIDA Boronate Synthesis","Journal of the American Chemical Society","2013","135","","474","487","10.1021/ja3100963","","","0.71073","MoKα","","0.1188","0.0852","","","0.2","0.2252","","","","","","1.023","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119164","9.358","0.002","12.215","0.003","12.764","0.003","90","","107.11","0.03","90","","1394.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Al Cl3 N -","- C12 H12 Al Cl3 N -","- C48 H48 Al4 Cl12 N4 -","4","1","","Viktor Bagutski; Alessandro Del Grosso; Josue Ayuso Carrillo; Ian A. Cade; Matthew D. Helm; James R. Lawson; Paul J. Singleton; Sophia A. Solomon; Tommaso Marcelli; Michael J. Ingleson","Mechanistic Studies into Amine-Mediated Electrophilic Arene Borylation and Its Application in MIDA Boronate Synthesis","Journal of the American Chemical Society","2013","135","","474","487","10.1021/ja3100963","","","0.71073","MoKα","","0.1494","0.1167","","","0.2823","0.3003","","","","","","1.149","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119165","13.3468","0.0005","13.1469","0.0005","13.1419","0.0004","90","","90.046","0.003","90","","2306","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Cl3 Ga N -","- C9 H9 Cl3 Ga N -","- C72 H72 Cl24 Ga8 N8 -","8","2","","Viktor Bagutski; Alessandro Del Grosso; Josue Ayuso Carrillo; Ian A. Cade; Matthew D. Helm; James R. Lawson; Paul J. Singleton; Sophia A. Solomon; Tommaso Marcelli; Michael J. Ingleson","Mechanistic Studies into Amine-Mediated Electrophilic Arene Borylation and Its Application in MIDA Boronate Synthesis","Journal of the American Chemical Society","2013","135","","474","487","10.1021/ja3100963","","","0.71073","MoKα","","0.0348","0.0274","","","0.076","0.0776","","","","","","1.068","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119166","11.8692","0.0004","12.5376","0.0004","22.9317","0.0008","90","","90","","90","","3412.5","0.2","143","1","143","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 Cl N3 O Si6 U -","- C18 H54 Cl N3 O Si6 U -","- C72 H216 Cl4 N12 O4 Si24 U4 -","4","1","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes","Journal of the American Chemical Society","2013","135","","511","518","10.1021/ja311057y","","","0.71073","MoKα","","0.0216","0.017","","","0.03","0.0307","","","","","","0.975","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119167","10.707","0.0012","18.0278","0.0018","18.0287","0.0018","104.511","0.005","101.754","0.005","101.706","0.005","3177.7","0.6","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H52 N2 O4 Si4 U -","- C20 H52 N2 O4 Si4 U -","- C80 H208 N8 O16 Si16 U4 -","4","2","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes","Journal of the American Chemical Society","2013","135","","511","518","10.1021/ja311057y","","","0.71073","MoKα","","0.0445","0.0397","","","0.1069","0.1118","","","","","","1.087","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119168","11.9455","0.001","19.6016","0.0016","17.9892","0.0015","90","","99.943","0.005","90","","4148.9","0.6","143","1","143","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H132 Cl2 F4 N6 O2 Si12 U2 -","- C52 H132 Cl2 F4 N6 O2 Si12 U2 -","- C104 H264 Cl4 F8 N12 O4 Si24 U4 -","2","0.5","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes","Journal of the American Chemical Society","2013","135","","511","518","10.1021/ja311057y","","","0.71073","MoKα","","0.0679","0.0481","","","0.1096","0.1158","","","","","","1.191","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119169","11.8088","0.0008","12.4796","0.0009","22.9669","0.0016","90","","90","","90","","3384.6","0.4","143","1","143","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H54 F N3 O Si6 U -","- C18 H54 F N3 O Si6 U -","- C72 H216 F4 N12 O4 Si24 U4 -","4","1","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes","Journal of the American Chemical Society","2013","135","","511","518","10.1021/ja311057y","","","0.71073","MoKα","","0.015","0.0141","","","0.0328","0.0331","","","","","","1.075","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119170","18.5005","0.0009","18.5005","0.0009","16.9729","0.0007","90","","90","","120","","5031","0.4","143","1","143","1","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C18 H54 Br N3 O Si6 U -","- C18 H54 Br1.1 N3 O0.9 Si6 U -","- C108 H324 Br6.6 N18 O5.4 Si36 U6 -","6","0.333333","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Reductive Cleavage of Nitrite to Form Terminal Uranium Mono-Oxo Complexes","Journal of the American Chemical Society","2013","135","","511","518","10.1021/ja311057y","","","0.71073","MoKα","","0.027","0.0245","","","0.0589","0.0606","","","","","","1.186","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119171","6.2434","0.0009","11.4384","0.0019","23.962","0.004","90","","90","","90","","1711.2","0.5","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2013","135","","519","528","10.1021/ja3111626","","","0.71073","MoKα","","0.0507","0.0437","","","0.105","0.1114","","","","","","1.099","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119172","11.2327","0.0006","12.5514","0.0007","20.9905","0.0011","90","","90","","90","","2959.4","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C144 H160 N16 O16 -","8","2","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2013","135","","519","528","10.1021/ja3111626","","","0.71073","MoKα","","0.0327","0.0286","","","0.079","0.0871","","","","","","1.116","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119173","10.059","0.0005","16.5697","0.0008","20.9187","0.0011","90","","90","","90","","3486.6","0.3","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H46 N2 O2 Si -","- C41 H46 N2 O2 Si -","- C164 H184 N8 O8 Si4 -","4","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2013","135","","519","528","10.1021/ja3111626","","","0.71073","MoKα","","0.0332","0.0292","","","0.0727","0.0756","","","","","","0.981","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119174","11.6957","0.0008","11.6957","0.0008","25.449","0.002","90","","90","","120","","3014.8","0.4","143","1","143","1","","","","","","","","4","P 65","P 65","170","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C150 H132 N12 O18 -","6","1","","Gregory L. Adams; Patrick J. Carroll; Amos B. Smith","Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A","Journal of the American Chemical Society","2013","135","","519","528","10.1021/ja3111626","","","0.71073","MoKα","","0.0271","0.0253","","","0.0669","0.0685","","","","","","1.041","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119175","9.9543","0.0007","10.1425","0.0008","14.0212","0.001","71.42","0.007","86.557","0.006","68.858","0.007","1249.09","0.18","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 Co N14 O4 -","- C17 H25 Co N14 O4 -","- C34 H50 Co2 N28 O8 -","2","1","","Paloma Arranz-Mascarós; Carla Bazzicalupi; Antonio Bianchi; Claudia Giorgi; María-Luz Godino-Salido; María-Dolores Gutiérrez-Valero; Rafael López-Garzón; Matteo Savastano","Thermodynamics of Anion-π Interactions in Aqueous Solution","Journal of the American Chemical Society","2013","135","","102","105","10.1021/ja311389z","","","0.71073","MoKα","","0.0884","0.0534","","","0.1095","0.1287","","","","","","1.015","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119176","10.5385","0.0009","10.7768","0.0009","14.7694","0.0012","90","","108.72","0.001","90","","1588.6","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cu N2 O5 -","- C16 H14 Cu N2 O5 -","- C64 H56 Cu4 N8 O20 -","4","1","","Liting Du; Zhiyong Lu; Kaiyuan Zheng; Junyi Wang; Xin Zheng; Yi Pan; Xiaozeng You; Junfeng Bai","Fine-Tuning Pore Size by Shifting Coordination Sites of Ligands and Surface Polarization of Metal-Organic Frameworks To Sharply Enhance the Selectivity for CO2","Journal of the American Chemical Society","2013","135","","562","565","10.1021/ja309992a","","","0.71073","MoKα","","0.032","0.028","","","0.0757","0.0772","","","","","","1.031","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119177","10.908","0.007","12.434","0.008","14.354","0.009","90","","107.495","0.007","90","","1857","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cu N3 O6 -","- C15 H15 Cu N3 O6 -","- C60 H60 Cu4 N12 O24 -","4","1","","Liting Du; Zhiyong Lu; Kaiyuan Zheng; Junyi Wang; Xin Zheng; Yi Pan; Xiaozeng You; Junfeng Bai","Fine-Tuning Pore Size by Shifting Coordination Sites of Ligands and Surface Polarization of Metal-Organic Frameworks To Sharply Enhance the Selectivity for CO2","Journal of the American Chemical Society","2013","135","","562","565","10.1021/ja309992a","","","0.71073","MoKα","","0.0806","0.0548","","","0.103","0.1087","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119178","17.939","0.004","20.419","0.004","21.475","0.004","65.46","0.03","81.08","0.03","79.92","0.03","7015","3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C291 H272 Cl45 N24 -","- C291 H272 Cl45 N24 -","- C291 H272 Cl45 N24 -","1","0.5","","Koushik Acharyya; Sandip Mukherjee; Partha Sarathi Mukherjee","Molecular Marriage through Partner Preferences in Covalent Cage Formation and Cage-to-Cage Transformation","Journal of the American Chemical Society","2013","135","","554","557","10.1021/ja310083p","","","0.71073","MoKα","","0.1731","0.1434","","","0.4104","0.4349","","","","","","1.755","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119179","15.761","0.003","14.146","0.003","27.681","0.009","90","","110.48","0.03","90","","5782","3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C104 H22 S4 -","- C104 H22 S4 -","- C416 H88 S16 -","4","1","","Jing Zhang; Jiahui Tan; Zhiying Ma; Wei Xu; Guangyao Zhao; Hua Geng; Chong'an Di; Wenping Hu; Zhigang Shuai; Kamaljit Singh; Daoben Zhu","Fullerene/Sulfur-Bridged Annulene Cocrystals: Two-Dimensional Segregated Heterojunctions with Ambipolar Transport Properties and Photoresponsivity","Journal of the American Chemical Society","2013","135","","558","561","10.1021/ja310098k","","","0.71073","MoKα","","0.2233","0.1817","","","0.3766","0.4043","","","","","","1.189","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119180","13.225","0.0011","13.299","0.0012","14.98","0.0014","90","","101.276","0.005","90","","2583.8","0.4","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C94 H22 S4 -","- C94 H22 S4 -","- C188 H44 S8 -","2","0.5","","Jing Zhang; Jiahui Tan; Zhiying Ma; Wei Xu; Guangyao Zhao; Hua Geng; Chong'an Di; Wenping Hu; Zhigang Shuai; Kamaljit Singh; Daoben Zhu","Fullerene/Sulfur-Bridged Annulene Cocrystals: Two-Dimensional Segregated Heterojunctions with Ambipolar Transport Properties and Photoresponsivity","Journal of the American Chemical Society","2013","135","","558","561","10.1021/ja310098k","","","0.71075","MoKα","","0.1099","0.096","","","0.2207","0.2267","","","","","","1.15","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119181","9.832","0.004","14.414","0.005","17.01","0.006","90","","91.683","0.006","90","","2409.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 K2 Mg O2 -","- C20 H36 K2 Mg O2 -","- C80 H144 K8 Mg4 O8 -","4","1","","Crispin Lichtenberg; Thomas P. Spaniol; Ilja Peckermann; Timothy P. Hanusa; Jun Okuda","Cationic, Neutral, and Anionic Allyl Magnesium Compounds: Unprecedented Ligand Conformations and Reactivity Toward Unsaturated Hydrocarbons","Journal of the American Chemical Society","2013","135","","811","821","10.1021/ja310112e","","","0.71073","MoKα","","0.1064","0.0836","","","0.2145","0.2328","","","","","","1.054","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119182","12.773","0.008","8.873","0.006","14.54","0.009","90","","112.157","0.008","90","","1526.2","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Mg O3 -","- C14 H26 Mg O3 -","- C56 H104 Mg4 O12 -","4","0.5","","Crispin Lichtenberg; Thomas P. Spaniol; Ilja Peckermann; Timothy P. Hanusa; Jun Okuda","Cationic, Neutral, and Anionic Allyl Magnesium Compounds: Unprecedented Ligand Conformations and Reactivity Toward Unsaturated Hydrocarbons","Journal of the American Chemical Society","2013","135","","811","821","10.1021/ja310112e","","","0.71073","MoKα","","0.039","0.0363","","","0.1032","0.1059","","","","","","1.055","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119183","8.4208","0.0011","16.265","0.002","30.417","0.004","90","","90.652","0.003","90","","4165.8","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 B F20 Mg N3 O -","- C40 H36 B F20 Mg N3 O -","- C160 H144 B4 F80 Mg4 N12 O4 -","4","1","","Crispin Lichtenberg; Thomas P. Spaniol; Ilja Peckermann; Timothy P. Hanusa; Jun Okuda","Cationic, Neutral, and Anionic Allyl Magnesium Compounds: Unprecedented Ligand Conformations and Reactivity Toward Unsaturated Hydrocarbons","Journal of the American Chemical Society","2013","135","","811","821","10.1021/ja310112e","","","0.71073","MoKα","","0.1027","0.0574","","","0.1272","0.1509","","","","","","1.031","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119184","6.5069","0.0011","10.1418","0.0017","11.965","0.002","90","","91.911","0.003","90","","789.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H23 K Mg O -","- C13 H23 K Mg O -","- C26 H46 K2 Mg2 O2 -","2","0.5","","Crispin Lichtenberg; Thomas P. Spaniol; Ilja Peckermann; Timothy P. Hanusa; Jun Okuda","Cationic, Neutral, and Anionic Allyl Magnesium Compounds: Unprecedented Ligand Conformations and Reactivity Toward Unsaturated Hydrocarbons","Journal of the American Chemical Society","2013","135","","811","821","10.1021/ja310112e","","","0.71073","MoKα","","0.0981","0.0865","","","0.2454","0.2598","","","","","","1.064","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119185","10.916","0.005","11.38","0.006","12.186","0.006","88.894","0.017","87.433","0.016","84.956","0.014","1506.2","1.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 B Cl2 F4 N7 O4 -","- C26 H28 B Cl2 F4 N7 O4 -","- C52 H56 B2 Cl4 F8 N14 O8 -","2","1","","De-Xian Wang; Mei-Xiang Wang","Anion-π Interactions: Generality, Binding Strength, and Structure","Journal of the American Chemical Society","2013","135","","892","897","10.1021/ja310834w","","","0.71073","MoKα","","0.1546","0.1467","","","0.3822","0.3864","","","","","","2.474","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119186","36.529","0.007","17.756","0.004","17.766","0.004","90","","90","","90","","11523","4","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C26 H28 Cl2 N8 O7 -","- C26 H28 Cl2 N8 O7 -","- C416 H448 Cl32 N128 O112 -","16","","","De-Xian Wang; Mei-Xiang Wang","Anion-π Interactions: Generality, Binding Strength, and Structure","Journal of the American Chemical Society","2013","135","","892","897","10.1021/ja310834w","","","0.71073","MoKα","","0.0672","0.0613","","","0.1411","0.1447","","","","","","1.221","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119187","15.947","0.002","16.119","0.002","12.028","0.002","90","","90","","90","","3091.8","0.7","173","2","173","2","","","","","","","","7","C m m a","-C 2a 2","67","","","","- C26 H28 Cl2 F6 N7 O4 P -","- C26 H28 Cl2 F6 N7 O4 P -","- C104 H112 Cl8 F24 N28 O16 P4 -","4","0.25","","De-Xian Wang; Mei-Xiang Wang","Anion-π Interactions: Generality, Binding Strength, and Structure","Journal of the American Chemical Society","2013","135","","892","897","10.1021/ja310834w","","","0.71073","MoKα","","0.073","0.0674","","","0.1394","0.1424","","","","","","1.195","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119188","10.804","0.003","12.288","0.003","22.243","0.005","90","","90.85","0.03","90","","2952.6","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl2 N8 O4 S -","- C27 H28 Cl2 N8 O4 S -","- C108 H112 Cl8 N32 O16 S4 -","4","1","","De-Xian Wang; Mei-Xiang Wang","Anion-π Interactions: Generality, Binding Strength, and Structure","Journal of the American Chemical Society","2013","135","","892","897","10.1021/ja310834w","","","0.71073","MoKα","","0.0798","0.0728","","","0.1705","0.1805","","","","","","1.281","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119189","9.1263","0.0002","13.7512","0.0004","19.0619","0.0005","90","","102.681","0.001","90","","2333.87","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 O7 -","- C25 H32 O7 -","- C100 H128 O28 -","4","1","","Christopher W. am Ende; Zhou Zhou; Kathlyn A. Parker","Total Synthesis of (\±)-Bisabosqual A","Journal of the American Chemical Society","2013","135","","582","585","10.1021/ja3108577","","","1.54178","CuKα","","0.075","0.0569","","","0.1533","0.1675","","","","","","1.035","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119190","13.4295","0.0004","15.0649","0.0004","9.8384","0.0003","90","","104.678","0.002","90","","1925.49","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 I O7 -","- C18 H19 I O7 -","- C72 H76 I4 O28 -","4","1","","Christopher W. am Ende; Zhou Zhou; Kathlyn A. Parker","Total Synthesis of (\±)-Bisabosqual A","Journal of the American Chemical Society","2013","135","","582","585","10.1021/ja3108577","","","1.54178","CuKα","","0.0682","0.0628","","","0.1705","0.177","","","","","","1.068","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119191","5.4428","0.0003","9.2903","0.0005","19.7811","0.001","87.538","0.002","85.332","0.002","85.189","0.002","992.75","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C46 H56 O10 -","2","1","","Christopher W. am Ende; Zhou Zhou; Kathlyn A. Parker","Total Synthesis of (\±)-Bisabosqual A","Journal of the American Chemical Society","2013","135","","582","585","10.1021/ja3108577","","","1.54178","CuKα","","0.0565","0.0526","","","0.1506","0.155","","","","","","1.062","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119192","6.4186","0.0002","10.3245","0.0004","19.9503","0.0007","90","","90","","90","","1322.08","0.08","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 O4 P -","- C13 H19 O4 P -","- C52 H76 O16 P4 -","4","1","","Michael T. Corbett; Jeffrey S. Johnson","Diametric Stereocontrol in Dynamic Catalytic Reduction of Racemic Acyl Phosphonates: Divergence from α-Keto Ester Congeners","Journal of the American Chemical Society","2013","135","","594","597","10.1021/ja310980q","","","1.54178","CuKα","","0.0379","0.0348","","","0.0917","0.0935","","","","","","1.051","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119193","8.0332","0.0006","10.8528","0.0008","17.7547","0.0013","90","","90","","90","","1547.9","0.2","100","2","100.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O8 -","- C16 H16 O8 -","- C64 H64 O32 -","4","1","","Michael T. Corbett; Jeffrey S. Johnson","Diametric Stereocontrol in Dynamic Catalytic Reduction of Racemic Acyl Phosphonates: Divergence from α-Keto Ester Congeners","Journal of the American Chemical Society","2013","135","","594","597","10.1021/ja310980q","","","1.54178","CuKα","","0.0237","0.0236","","","0.0606","0.0608","","","","","","1.058","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119194","10.6837","0.0003","5.7318","0.0002","11.1098","0.0004","90","","106.432","0.003","90","","652.54","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 O4 P -","- C12 H19 O4 P -","- C24 H38 O8 P2 -","2","1","","Michael T. Corbett; Jeffrey S. Johnson","Diametric Stereocontrol in Dynamic Catalytic Reduction of Racemic Acyl Phosphonates: Divergence from α-Keto Ester Congeners","Journal of the American Chemical Society","2013","135","","594","597","10.1021/ja310980q","","","1.54178","CuKα","","0.0532","0.0474","","","0.1135","0.1174","","","","","","1.092","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119195","8.4899","0.0006","8.4899","0.0006","18.144","0.002","90","","90","","120","","1132.58","0.17","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- Au5 Mn Y3 -","- Au5 Mn Y3 -","- Au30 Mn6 Y18 -","6","0.333333","","Saroj L. Samal; Abhishek Pandey; David C. Johnston; John D. Corbett","Y3MnAu5: Three Distinctived-Metal Functions in an Intergrown Cluster Phase","Journal of the American Chemical Society","2013","135","","910","917","10.1021/ja3110208","","","0.71073","MoKα","","0.0352","0.031","","","0.0556","0.0589","","","","","","0.958","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119196","44.419","0.009","75.649","0.015","46.041","0.009","90","","113.05","0.03","90","","142358","6","90","2","90","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C2016 H1728 F483 N288 O57 P83 Pd48 -","- C2016 H1728 F483 N288 O57 P83 Pd48 -","- C4032 H3456 F966 N576 O114 P166 Pd96 -","2","0.5","","Yu Fang; Takashi Murase; Sota Sato; Makoto Fujita","Noncovalent Tailoring of the Binding Pocket of Self-Assembled Cages by Remote Bulky Ancillary Groups","Journal of the American Chemical Society","2013","135","","613","615","10.1021/ja311373f","","","0.85","synchrotron","","0.188","0.1638","","","0.4344","0.4531","","","","","","1.882","","","","has coordinates,has disorder","178962","2020-10-21","18:00:00",""
"4119197","11.5814","0.0011","11.7027","0.0011","14.1322","0.0014","71.241","0.001","89.359","0.001","68.989","0.001","1681.3","0.3","90","2","90","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H34 N6 O6 Pd -","- C34 H34 N6 O6 Pd -","- C68 H68 N12 O12 Pd2 -","2","2","","Yu Fang; Takashi Murase; Sota Sato; Makoto Fujita","Noncovalent Tailoring of the Binding Pocket of Self-Assembled Cages by Remote Bulky Ancillary Groups","Journal of the American Chemical Society","2013","135","","613","615","10.1021/ja311373f","","","0.71073","MoKα","","0.0357","0.0341","","","0.09","0.0919","","","","","","1.09","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119198","11.3232","0.0001","6.4161","0.0001","19.396","0.0002","90","","97.54","0.001","90","","1396.95","0.03","290","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Bin Xiao; Zhao-Jing Liu; Lei Liu; Yao Fu","Palladium-Catalyzed C-H Activation/Cross-Coupling of Pyridine N-Oxides with Nonactivated Secondary Alkyl Bromides","Journal of the American Chemical Society","2013","135","","616","619","10.1021/ja3113752","","","1.54184","CuKα","","0.0486","0.047","","","0.1245","0.1258","","","","","","1.06","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119199","17.0864","0.0002","10.1163","0.0001","20.225","0.0003","90","","108.796","0.001","90","","3309.48","0.07","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H35 N O2 -","- C25 H35 N O2 -","- C150 H210 N6 O12 -","6","3","","Bin Xiao; Zhao-Jing Liu; Lei Liu; Yao Fu","Palladium-Catalyzed C-H Activation/Cross-Coupling of Pyridine N-Oxides with Nonactivated Secondary Alkyl Bromides","Journal of the American Chemical Society","2013","135","","616","619","10.1021/ja3113752","","","1.54184","CuKα","","0.0508","0.0443","","","0.1205","0.1392","","","","","","1.058","","","","has coordinates","178962","2020-10-21","18:00:00",""
"4119200","10.8079","0.0013","11.3243","0.0011","39.272","0.005","90","","90","","90","","4806.6","1","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H54 Cl10 N2 O2 Si -","- C38 H54 Cl10 N2 O2 Si -","- C152 H216 Cl40 N8 O8 Si4 -","4","1","","Bin Xiao; Zhao-Jing Liu; Lei Liu; Yao Fu","Palladium-Catalyzed C-H Activation/Cross-Coupling of Pyridine N-Oxides with Nonactivated Secondary Alkyl Bromides","Journal of the American Chemical Society","2013","135","","616","619","10.1021/ja3113752","","","1.54184","CuKα","","0.1031","0.0605","","","0.1542","0.223","","","","","","1.083","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119201","11.917","0.0003","19.611","0.0003","14.274","0.0004","90","","119.088","0.002","90","","2915.15","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenoxy(phenyl)(butadienyl)borane","phenoxy(phenyl)((1E,3E)-1,2,3,4-tetraphenylbuta-1,3-dienyl)borane","","- C40 H31 B O -","- C40 H31 B O -","- C160 H124 B4 O4 -","4","1","","Adrian Y. Houghton; Virve A. Karttunen; Cheng Fan; Warren E. Piers; Heikki M. Tuononen","Mechanistic Studies on the Metal-Free Activation of Dihydrogen by Antiaromatic Pentarylboroles","Journal of the American Chemical Society","2013","135","","941","947","10.1021/ja311842r","","","0.71073","MoKα","","0.0838","0.0587","","","0.1354","0.1506","","","","","","1.161","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119202","9.841","0.004","11.072","0.003","11.722","0.003","90","","92.397","0.017","90","","1276.1","0.7","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H31 O2 Rh -","- C33 H31 O2 Rh -","- C66 H62 O4 Rh2 -","2","1","","Baihua Ye; Nicolai Cramer","A Tunable Class of Chiral Cp Ligands for Enantioselective Rhodium(III)-Catalyzed C-H Allylations of Benzamides","Journal of the American Chemical Society","2013","135","","636","639","10.1021/ja311956k","","","0.71073","MoKα","","0.0471","0.0406","","","0.0978","0.1028","","","","","","1.077","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119203","8.0078","0.0005","7.1876","0.0004","13.4198","0.0008","90","","90.271","0.005","90","","772.39","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H20 Br N O3 -","- C15 H20 Br N O3 -","- C30 H40 Br2 N2 O6 -","2","1","","Baihua Ye; Nicolai Cramer","A Tunable Class of Chiral Cp Ligands for Enantioselective Rhodium(III)-Catalyzed C-H Allylations of Benzamides","Journal of the American Chemical Society","2013","135","","636","639","10.1021/ja311956k","","","1.54178","CuKα","","0.0634","0.0627","","","0.1694","0.1713","","","","","","1.065","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119204","6.4664","0.0007","24.377","0.003","20.197","0.002","90","","90.982","0.002","90","","3183.2","0.6","153","","153","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Cl O4 -","- C23 H23 Cl O4 -","- C138 H138 Cl6 O24 -","6","3","","Kohsuke Ohmatsu; Mitsunori Ito; Tomoatsu Kunieda; Takashi Ooi","Exploiting the Modularity of Ion-Paired Chiral Ligands for Palladium-Catalyzed Enantioselective Allylation of Benzofuran-2(3H)-ones","Journal of the American Chemical Society","2013","135","","590","593","10.1021/ja312125a","","","0.71073","MoKα","","0.0866","0.0612","","","0.1184","0.13","","","","","","1.03","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119205","13.716","0.0007","15.8986","0.0007","16.3736","0.0008","73.25","0.002","84.41","0.003","72.393","0.002","3258.6","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H61 F3 Mn3 N7 O17 S Sc -","- C70 H61 F3 Mn3 N7 O17 S Sc -","- C140 H122 F6 Mn6 N14 O34 S2 Sc2 -","2","1","","Jacob S. Kanady; Jose L. Mendoza-Cortes; Emily Y. Tsui; Robert J. Nielsen; William A. Goddard; Theodor Agapie","Oxygen Atom Transfer and Oxidative Water Incorporation in Cuboidal Mn3MOn Complexes Based on Synthetic, Isotopic Labeling, and Computational Studies","Journal of the American Chemical Society","2013","135","","1073","1082","10.1021/ja310022p","","","0.71073","MoKα","","0.0855","0.0464","","","0.1091","0.122","","","","","","1.27","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119206","13.7255","0.0006","18.1596","0.0007","28.1662","0.0011","90","","92.62","0.002","90","","7013.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C79 H80 Mn4 N6 O16.08 -","- C79 H80 Mn4 N6 O16.09 -","- C316 H320 Mn16 N24 O64.36 -","4","1","","Jacob S. Kanady; Jose L. Mendoza-Cortes; Emily Y. Tsui; Robert J. Nielsen; William A. Goddard; Theodor Agapie","Oxygen Atom Transfer and Oxidative Water Incorporation in Cuboidal Mn3MOn Complexes Based on Synthetic, Isotopic Labeling, and Computational Studies","Journal of the American Chemical Society","2013","135","","1073","1082","10.1021/ja310022p","","","0.71073","MoKα","","0.1327","0.0569","","","0.0549","0.0586","","","","","","1.277","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119207","9.7288","0.0006","37.6675","0.0015","9.6351","0.0005","90","","116.53","0.004","90","","3159.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N O7 P Pd S -","- C34 H34 N O7 P Pd S -","- C136 H136 N4 O28 P4 Pd4 S4 -","4","1","","Boris Neuwald; Lucia Caporaso; Luigi Cavallo; Stefan Mecking","Concepts for Stereoselective Acrylate Insertion","Journal of the American Chemical Society","2013","135","","1026","1036","10.1021/ja3101787","","","0.71073","MoKα","","0.0667","0.0486","","","0.1156","0.1215","","","","","","1.072","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119208","14.9093","0.0006","15.1538","0.0007","18.8836","0.0008","83.646","0.003","72.284","0.003","80.759","0.003","4002.7","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H40 N O6 P Pd S -","- C34 H40 N O6 P Pd S -","- C136 H160 N4 O24 P4 Pd4 S4 -","4","2","","Boris Neuwald; Lucia Caporaso; Luigi Cavallo; Stefan Mecking","Concepts for Stereoselective Acrylate Insertion","Journal of the American Chemical Society","2013","135","","1026","1036","10.1021/ja3101787","","","0.71073","MoKα","","0.0653","0.0389","","","0.077","0.0823","","","","","","0.927","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119209","7.2801","0.0002","20.1482","0.0006","10.9319","0.0003","90","","119.575","0.002","90","","1394.58","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H9 O2 P S2 -","- C16 H9 O2 P S2 -","- C64 H36 O8 P4 S8 -","4","1","","Xiaoming He; Javier Borau-Garcia; Alva Y. Y. Woo; Simon Trudel; Thomas Baumgartner","Dithieno[3,2-c:2',3'-e]-2,7-diketophosphepin: A Unique Building Block for Multifunctional π-Conjugated Materials","Journal of the American Chemical Society","2013","135","","1137","1147","10.1021/ja310680x","","","0.71073","MoKα","","0.0507","0.0413","","","0.1091","0.1173","","","","","","1.074","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119210","5.262","0.0011","11.761","0.002","14.158","0.003","103.97","0.03","97.96","0.03","98.01","0.03","828.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H9 O2 P S2 -","- C20 H9 O2 P S2 -","- C40 H18 O4 P2 S4 -","2","1","","Xiaoming He; Javier Borau-Garcia; Alva Y. Y. Woo; Simon Trudel; Thomas Baumgartner","Dithieno[3,2-c:2',3'-e]-2,7-diketophosphepin: A Unique Building Block for Multifunctional π-Conjugated Materials","Journal of the American Chemical Society","2013","135","","1137","1147","10.1021/ja310680x","","","0.71073","MoKα","","0.1199","0.0838","","","0.204","0.238","","","","","","1.007","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119211","9.7335","0.0003","13.564","0.0005","21.0262","0.0008","90","","91.726","0.0011","90","","2774.73","0.17","110","2","110","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H35 B F6 N O P Pd -","- C27 H35 B F6 N O P Pd -","- C54 H70 B2 F12 N2 O2 P2 Pd2 -","2","1","","Adam Scharf; Israel Goldberg; Arkadi Vigalok","Evidence for Metal-Ligand Cooperation in a Pd-PNF Pincer-Catalyzed Cross-Coupling","Journal of the American Chemical Society","2013","135","","967","970","10.1021/ja310782k","","","0.71073","MoKα","","0.1255","0.0749","","","0.1621","0.1863","","","","","","1.123","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119212","10.021","0.0005","8.736","0.0003","27.341","0.0014","90","","91.642","0.002","90","","2392.54","0.19","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 F N O P Pd -","- C26 H33 F N O P Pd -","- C104 H132 F4 N4 O4 P4 Pd4 -","4","1","","Adam Scharf; Israel Goldberg; Arkadi Vigalok","Evidence for Metal-Ligand Cooperation in a Pd-PNF Pincer-Catalyzed Cross-Coupling","Journal of the American Chemical Society","2013","135","","967","970","10.1021/ja310782k","","","0.71073","MoKα","","0.1294","0.0473","","","0.0844","0.109","","","","","","0.89","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119213","8.3822","0.0002","11.5637","0.0003","11.5713","0.0001","92.0292","0.0014","98.8743","0.0015","104.785","0.0007","1068.19","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 F2 N P Pd -","- C24 H28 F2 N P Pd -","- C48 H56 F4 N2 P2 Pd2 -","2","1","","Adam Scharf; Israel Goldberg; Arkadi Vigalok","Evidence for Metal-Ligand Cooperation in a Pd-PNF Pincer-Catalyzed Cross-Coupling","Journal of the American Chemical Society","2013","135","","967","970","10.1021/ja310782k","","","0.71073","MoKα","","0.0462","0.0365","","","0.0862","0.0921","","","","","","1.067","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119214","8.619","0.0009","9.0133","0.0009","12.6557","0.0013","80.212","0.002","71.388","0.002","75.303","0.002","897","0.16","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C40 H34 N2 O8 S2 -","- C40 H34 N2 O8 S2 -","- C40 H34 N2 O8 S2 -","1","1","","Hui Wang; Tao Jiang; Ming-Hua Xu","Simple Branched Sulfur-Olefins as Chiral Ligands for Rh-Catalyzed Asymmetric Arylation of Cyclic Ketimines: Highly Enantioselective Construction of Tetrasubstituted Carbon Stereocenters","Journal of the American Chemical Society","2013","135","","971","974","10.1021/ja3110818","","","0.71073","MoKα","","0.0397","0.0368","","","0.097","0.1002","","","","","","1.05","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119215","9.3333","0.0007","36.817","0.002","19.2308","0.0014","90","","96.9458","0.0017","90","","6559.7","0.8","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","quarteranthene","","","- C94 H74 -","- C94 H74 -","- C376 H296 -","4","1","","Akihito Konishi; Yasukazu Hirao; Kouzou Matsumoto; Hiroyuki Kurata; Ryohei Kishi; Yasuteru Shigeta; Masayoshi Nakano; Kazuya Tokunaga; Kenji Kamada; Takashi Kubo","Synthesis and Characterization of Quarteranthene: Elucidating the Characteristics of the Edge State of Graphene Nanoribbons at the Molecular Level","Journal of the American Chemical Society","2013","135","","1430","1437","10.1021/ja309599m","","","0.71075","MoKα","","0.247","0.0853","","","0.1836","0.2493","","","","","","0.963","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119216","9.7396","0.0003","19.3986","0.0007","21.6326","0.0008","77.6474","0.0011","89.1137","0.0009","84.1088","0.0011","3971.4","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","quarterantheneperoxide","","","- C110 H94 O2 -","- C110 H94 O2 -","- C220 H188 O4 -","2","1","","Akihito Konishi; Yasukazu Hirao; Kouzou Matsumoto; Hiroyuki Kurata; Ryohei Kishi; Yasuteru Shigeta; Masayoshi Nakano; Kazuya Tokunaga; Kenji Kamada; Takashi Kubo","Synthesis and Characterization of Quarteranthene: Elucidating the Characteristics of the Edge State of Graphene Nanoribbons at the Molecular Level","Journal of the American Chemical Society","2013","135","","1430","1437","10.1021/ja309599m","","","0.71075","MoKα","","0.1676","0.0761","","","0.1871","0.235","","","","","","1.022","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119217","6.1432","0.0003","17.988","0.0008","12.9513","0.0006","90","","91.17","0.003","90","","1430.87","0.12","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","2","","Vincent N. G. Lindsay; Dominic Fiset; Philipp J. Gritsch; Soula Azzi; André B. Charette","Stereoselective Rh2(S-IBAZ)4-Catalyzed Cyclopropanation of Alkenes, Alkynes, and Allenes: Asymmetric Synthesis of Diacceptor Cyclopropylphosphonates and Alkylidenecyclopropanes","Journal of the American Chemical Society","2013","135","","1463","1470","10.1021/ja3099728","","","1.54178","CuKα","","0.0451","0.042","","","0.1034","0.1052","","","","","","1.141","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119218","5.9104","0.0004","9.8673","0.0005","25.267","0.0014","90","","90","","90","","1473.56","0.15","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N O2 -","- C16 H16 Cl N O2 -","- C64 H64 Cl4 N4 O8 -","4","1","","Vincent N. G. Lindsay; Dominic Fiset; Philipp J. Gritsch; Soula Azzi; André B. Charette","Stereoselective Rh2(S-IBAZ)4-Catalyzed Cyclopropanation of Alkenes, Alkynes, and Allenes: Asymmetric Synthesis of Diacceptor Cyclopropylphosphonates and Alkylidenecyclopropanes","Journal of the American Chemical Society","2013","135","","1463","1470","10.1021/ja3099728","","","1.54178","CuKα","","0.0619","0.0586","","","0.1425","0.1454","","","","","","1.05","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119219","6.0301","0.0004","18.347","0.0014","19.0401","0.0013","90","","95.541","0.004","90","","2096.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PCMOF-5","","","- C10 H10 La O16 P4 -","- C10 H10 La O16 P4 -","- C40 H40 La4 O64 P16 -","4","1","","Jared M. Taylor; Karl W. Dawson; George K. H. Shimizu","A Water-Stable Metal-Organic Framework with Highly Acidic Pores for Proton-Conducting Applications","Journal of the American Chemical Society","2013","135","","1193","1196","10.1021/ja310435e","","","1.54178","CuKα","","0.0368","0.0332","","","0.1102","0.1247","","","","","","1.183","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119220","9.4422","0.0007","14.2545","0.0012","24.8885","0.0012","90","","90","","90","","3349.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 Cl2 N2 O11 S -","- C30 H46 Cl2 N2 O11 S -","- C120 H184 Cl8 N8 O44 S4 -","4","1","","Daniel J. Jansen; Ryan A. Shenvi","Synthesis of (-)-Neothiobinupharidine","Journal of the American Chemical Society","2013","135","","1209","1212","10.1021/ja310778t","","","0.71073","MoKα","","0.0758","0.0608","","","0.1573","0.1696","","","","","","1.023","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119221","16.5555","0.0003","18.3798","0.0004","21.3098","0.0004","90","","109.906","0.001","90","","6096.9","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C55 H55 B F24 Ir N O3 P2 -","- C55 H55 B F24 Ir N O3 P2 -","- C220 H220 B4 F96 Ir4 N4 O12 P8 -","4","1","","Jesús Campos; Sabuj Kundu; Dale R. Pahls; Maurice Brookhart; Ernesto Carmona; Thomas R. Cundari","Mechanism of Hydrogenolysis of an Iridium-Methyl Bond: Evidence for a Methane Complex Intermediate","Journal of the American Chemical Society","2013","135","","1217","1220","10.1021/ja310982v","","","0.71073","MoKα","","0.0454","0.0303","","","0.068","0.0779","","","","","","1.059","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119222","12.4339","0.0012","18.1929","0.0018","18.5091","0.0018","90","","90","","90","","4186.9","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H34 Cl Ni P -","- C22 H34 Cl Ni P -","- C176 H272 Cl8 Ni8 P8 -","8","2","","Thierry León; Arkaitz Correa; Ruben Martin","Ni-Catalyzed Direct Carboxylation of Benzyl Halides with CO2","Journal of the American Chemical Society","2013","135","","1221","1224","10.1021/ja311045f","","","0.71073","MoKα","","0.0728","0.0654","","","0.1519","0.1555","","","","","","1.083","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119223","11.3212","0.0009","6.8505","0.0005","7.3164","0.0005","90","","100.658","0.002","90","","557.64","0.07","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C5 H8 O3 -","- C5 H8 O3 -","- C20 H32 O12 -","4","0.5","","Christopher J. Whiteoak; Nicola Kielland; Victor Laserna; Eduardo C. Escudero-Adán; Eddy Martin; Arjan W. Kleij","A Powerful Aluminum Catalyst for the Synthesis of Highly Functional Organic Carbonates","Journal of the American Chemical Society","2013","135","","1228","1231","10.1021/ja311053h","","","0.71073","MoKα","","0.0366","0.0339","","","0.0972","0.1003","","","","","","1.053","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119224","17.236","0.0019","15.7823","0.0017","19.047","0.002","90","","90","","90","","5181.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 Al Cl6 N O4 -","- C25 H20 Al Cl6 N O4 -","- C200 H160 Al8 Cl48 N8 O32 -","8","1","","Christopher J. Whiteoak; Nicola Kielland; Victor Laserna; Eduardo C. Escudero-Adán; Eddy Martin; Arjan W. Kleij","A Powerful Aluminum Catalyst for the Synthesis of Highly Functional Organic Carbonates","Journal of the American Chemical Society","2013","135","","1228","1231","10.1021/ja311053h","","","0.71073","MoKα","","0.0404","0.0287","","","0.0663","0.0728","","","","","","1.074","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119225","13.8592","0.0008","11.2345","0.0007","7.5711","0.0005","90","","90","","90","","1178.83","0.13","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C15 H12 O3 -","- C15 H12 O3 -","- C60 H48 O12 -","4","0.5","","Christopher J. Whiteoak; Nicola Kielland; Victor Laserna; Eduardo C. Escudero-Adán; Eddy Martin; Arjan W. Kleij","A Powerful Aluminum Catalyst for the Synthesis of Highly Functional Organic Carbonates","Journal of the American Chemical Society","2013","135","","1228","1231","10.1021/ja311053h","","","0.71073","MoKα","","0.0481","0.0392","","","0.0947","0.0998","","","","","","1.029","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119226","7.8462","0.0007","13.8801","0.0013","16.651","0.0016","90","","90","","90","","1813.4","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 Br N2 O4 S -","- C18 H19 Br N2 O4 S -","- C72 H76 Br4 N8 O16 S4 -","4","1","","Feng Chen; Chong Kiat Tan; Ying-Yeung Yeung","C2-Symmetric Cyclic Selenium-Catalyzed Enantioselective Bromoaminocyclization","Journal of the American Chemical Society","2013","135","","1232","1235","10.1021/ja311202e","","","0.71073","MoKα","","0.0279","0.0263","","","0.0676","0.0679","","","","","","1.056","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119227","7.6702","0.0013","11.5801","0.0019","23.557","0.004","90","","94.078","0.004","90","","2087.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Br N2 O4 S -","- C23 H21 Br N2 O4 S -","- C92 H84 Br4 N8 O16 S4 -","4","1","","Feng Chen; Chong Kiat Tan; Ying-Yeung Yeung","C2-Symmetric Cyclic Selenium-Catalyzed Enantioselective Bromoaminocyclization","Journal of the American Chemical Society","2013","135","","1232","1235","10.1021/ja311202e","","","0.71073","MoKα","","0.0461","0.0362","","","0.0895","0.0932","","","","","","1.084","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119228","7.9955","0.0006","14.58","0.001","15.7188","0.0011","90","","93.128","0.002","90","","1829.7","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","2","","Feng Chen; Chong Kiat Tan; Ying-Yeung Yeung","C2-Symmetric Cyclic Selenium-Catalyzed Enantioselective Bromoaminocyclization","Journal of the American Chemical Society","2013","135","","1232","1235","10.1021/ja311202e","","","0.71073","MoKα","","0.0387","0.0355","","","0.0881","0.0899","","","","","","1.078","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119229","5.9133","0.0001","11.6063","0.0003","9.9179","0.0002","90","","94.063","0.002","90","","678.97","0.03","290","2","290","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C34 H32 O4 -","2","1","","Xiu-Fen Cheng; Yan Li; Yi-Ming Su; Feng Yin; Jian-Yong Wang; Jie Sheng; Harit U. Vora; Xi-Sheng Wang; Jin-Quan Yu","Pd(II)-Catalyzed Enantioselective C-H Activation/C-O Bond Formation: Synthesis of Chiral Benzofuranones","Journal of the American Chemical Society","2013","135","","1236","1239","10.1021/ja311259x","","","1.54184","CuKα","","0.0313","0.0307","","","0.0983","0.0997","","","","","","1.007","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119230","7.566","0.003","11.733","0.004","13.317","0.004","80.425","0.005","80.943","0.005","86.925","0.005","1150.7","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 N4 O4 Si -","- C21 H30 N4 O4 Si -","- C42 H60 N8 O8 Si2 -","2","1","","Xichen Xu; Yu Qian; Peter Y. Zavalij; Michael P. Doyle","Highly Selective Catalyst-Dependent Competitive 1,2-C\ρightarrowC, -O\ρightarrowC, and -N\ρightarrowC Migrations from β-Methylene-β-silyloxy-β-amido-α-diazoacetates","Journal of the American Chemical Society","2013","135","","1244","1247","10.1021/ja311392m","","","0.71073","MoKα","","0.0438","0.0361","","","0.0706","0.0742","","","","","","1","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119231","9.9426","0.0011","12.8835","0.0014","21.6003","0.0024","87.5432","0.0019","89.7648","0.0019","69.3953","0.0018","2587.3","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","QY-0730","QY-0730","","- C27 H34 N2 O4 Si -","- C27 H34 N2 O4 Si -","- C108 H136 N8 O16 Si4 -","4","2","","Xichen Xu; Yu Qian; Peter Y. Zavalij; Michael P. Doyle","Highly Selective Catalyst-Dependent Competitive 1,2-C\ρightarrowC, -O\ρightarrowC, and -N\ρightarrowC Migrations from β-Methylene-β-silyloxy-β-amido-α-diazoacetates","Journal of the American Chemical Society","2013","135","","1244","1247","10.1021/ja311392m","","","0.71073","MoKα","","0.0456","0.0378","","","0.0786","0.0815","","","","","","1","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119232","12.0963","0.0012","12.6843","0.0013","18.312","0.0018","90.5361","0.0016","94.8492","0.0017","102.61","0.0016","2731","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","QY0716","QY0716","","- C27 H33 Br N2 O4 Si -","- C27 H33 Br N2 O4 Si -","- C108 H132 Br4 N8 O16 Si4 -","4","2","","Xichen Xu; Yu Qian; Peter Y. Zavalij; Michael P. Doyle","Highly Selective Catalyst-Dependent Competitive 1,2-C\ρightarrowC, -O\ρightarrowC, and -N\ρightarrowC Migrations from β-Methylene-β-silyloxy-β-amido-α-diazoacetates","Journal of the American Chemical Society","2013","135","","1244","1247","10.1021/ja311392m","","","0.71073","MoKα","","0.0543","0.0338","","","0.0598","0.0634","","","","","","1","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119233","9.3094","0.0008","10.4293","0.0009","13.7248","0.0012","68.6267","0.0013","82.0779","0.0014","64.8939","0.0013","1123.44","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H29 Cl N2 O4 Si -","- C21 H29 Cl N2 O4 Si -","- C42 H58 Cl2 N4 O8 Si2 -","2","1","","Xichen Xu; Yu Qian; Peter Y. Zavalij; Michael P. Doyle","Highly Selective Catalyst-Dependent Competitive 1,2-C\ρightarrowC, -O\ρightarrowC, and -N\ρightarrowC Migrations from β-Methylene-β-silyloxy-β-amido-α-diazoacetates","Journal of the American Chemical Society","2013","135","","1244","1247","10.1021/ja311392m","","","0.71073","MoKα","","0.049","0.0366","","","0.0679","0.0714","","","","","","1","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119234","18.552","0.012","8.272","0.005","8.261","0.005","90","","113.79","0.006","90","","1160","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield","MOFs Under Pressure: The Reversible Compression of a Single Crystal","Journal of the American Chemical Society","2013","135","","1252","1255","10.1021/ja311613p","","","0.6048","synchrotron","","0.0495","0.0411","","","0.1076","0.1136","","","","","","1.038","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119235","18.515","0.004","8.291","0.0019","8.2652","0.0019","90","","113.837","0.002","90","","1160.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield","MOFs Under Pressure: The Reversible Compression of a Single Crystal","Journal of the American Chemical Society","2013","135","","1252","1255","10.1021/ja311613p","","","0.6048","synchrotron","","0.0458","0.037","","","0.0917","0.096","","","","","","1.041","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119236","17.9912","0.0019","8","0.002","8.0643","0.0006","90","","117.609","0.006","90","","1028.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield","MOFs Under Pressure: The Reversible Compression of a Single Crystal","Journal of the American Chemical Society","2013","135","","1252","1255","10.1021/ja311613p","","","0.6048","synchrotron","","0.045","0.0344","","","0.0789","0.0964","","","","","","1.198","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119237","17.685","0.002","8.147","0.002","7.7557","0.0006","90","","119.697","0.006","90","","970.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield","MOFs Under Pressure: The Reversible Compression of a Single Crystal","Journal of the American Chemical Society","2013","135","","1252","1255","10.1021/ja311613p","","","0.6048","synchrotron","","0.0453","0.0345","","","0.0867","0.1131","","","","","","1.215","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119238","17.1996","0.0018","8.139","0.002","7.4651","0.0006","90","","122.431","0.006","90","","882","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield","MOFs Under Pressure: The Reversible Compression of a Single Crystal","Journal of the American Chemical Society","2013","135","","1252","1255","10.1021/ja311613p","","","0.6048","synchrotron","","0.0639","0.0435","","","0.113","0.137","","","","","","1.118","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119239","17.023","0.002","8.066","0.003","7.4078","0.0008","90","","123.227","0.008","90","","850.8","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield","MOFs Under Pressure: The Reversible Compression of a Single Crystal","Journal of the American Chemical Society","2013","135","","1252","1255","10.1021/ja311613p","","","0.6048","synchrotron","","0.0742","0.0537","","","0.1414","0.158","","","","","","1.13","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119240","9.2086","0.0004","8.8211","0.0004","20.7793","0.001","90","","96.047","0.002","90","","1678.51","0.13","103","2","103","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- As4 H32 Mn2 N8 S16 -","- As4 H32 Mn2 N8 S16 -","- As8 H64 Mn4 N16 S32 -","2","0.5","","Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang","Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework","Journal of the American Chemical Society","2013","135","","1256","1259","10.1021/ja3116179","","","0.71073","MoKα","","0.0266","0.021","","","0.0427","0.044","","","","","","1.052","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119241","24.312","0.005","7.9301","0.0016","12.412","0.003","90","","93.21","0.03","90","","2389.2","0.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- As2 H26 Mn3 N10 S8 -","- As2 H26 Mn3 N10 S8 -","- As8 H104 Mn12 N40 S32 -","4","0.5","","Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang","Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework","Journal of the American Chemical Society","2013","135","","1256","1259","10.1021/ja3116179","","","0.71073","MoKα","","0.0277","0.0247","","","0.0626","0.0637","","","","","","1.001","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119242","6.166","0.002","9.604","0.004","10.79","0.004","78.118","0.006","77.984","0.006","71.816","0.005","586.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H9 As2 Cu3 N2 S5 -","- As2 Cu3 S5 -","- As4 Cu6 S10 -","2","1","","Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang","Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework","Journal of the American Chemical Society","2013","135","","1256","1259","10.1021/ja3116179","","","0.71073","MoKα","","0.1064","0.085","","","0.2719","0.3104","","","","","","1.004","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119243","9.1872","0.0004","9.1872","0.0004","10.8539","0.0005","90","","90","","120","","793.38","0.06","93","2","93","2","","","","","","","","5","R 3 :H","R 3","146","","","","- As3 H4 Mn N S6 -","- As3 H4 Mn N S6 -","- As9 H12 Mn3 N3 S18 -","3","0.333333","","Wei-Wei Xiong; Eashwer Umesh Athresh; Yu Ting Ng; Junfeng Ding; Tom Wu; Qichun Zhang","Growing Crystalline Chalcogenidoarsenates in Surfactants: From Zero-Dimensional Cluster to Three-Dimensional Framework","Journal of the American Chemical Society","2013","135","","1256","1259","10.1021/ja3116179","","","0.71073","MoKα","","0.0197","0.0192","","","0.0396","0.0398","","","","","","0.929","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119244","9.4047","0.0005","10.1216","0.0006","10.5171","0.0006","112.703","0.001","107.674","0.001","91.378","0.001","868.53","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 Cl2 Ni P2 -","- C36 H54 Cl2 Ni P2 -","- C36 H54 Cl2 Ni P2 -","1","0.5","","Eric A. Standley; Timothy F. Jamison","Simplifying Nickel(0) Catalysis: An Air-Stable Nickel Precatalyst for the Internally Selective Benzylation of Terminal Alkenes","Journal of the American Chemical Society","2013","135","","1585","1592","10.1021/ja3116718","","","0.71073","MoKα","","0.0302","0.0281","","","0.0726","0.0738","","","","","","1.055","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119245","10.5776","0.0007","12.2542","0.0008","17.3312","0.0011","103.885","0.001","94.529","0.001","113.747","0.001","1956.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H61 Cl Ni P2 -","- C43 H61.006 Cl Ni P2 -","- C86 H122.012 Cl2 Ni2 P4 -","2","1","","Eric A. Standley; Timothy F. Jamison","Simplifying Nickel(0) Catalysis: An Air-Stable Nickel Precatalyst for the Internally Selective Benzylation of Terminal Alkenes","Journal of the American Chemical Society","2013","135","","1585","1592","10.1021/ja3116718","","","0.71073","MoKα","","0.0436","0.0372","","","0.0958","0.1","","","","","","1.046","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119246","24.9942","0.0018","6.4579","0.0005","31.448","0.002","90","","103.432","0.003","90","","4937.2","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","RJP-D206-chiral","toste67","","- C22 H19 F O -","- C22 H19 F O -","- C264 H228 F12 O12 -","12","6","","Robert J. Phipps; F. Dean Toste","Chiral Anion Phase-Transfer Catalysis Applied to the Direct Enantioselective Fluorinative Dearomatization of Phenols","Journal of the American Chemical Society","2013","135","","1268","1271","10.1021/ja311798q","","","1.54178","CuKα","","0.0518","0.0473","","","0.1153","0.1183","","","","","","1.007","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119247","6.7069","0.0002","16.258","0.0006","18.2761","0.0007","90","","90","","90","","1992.84","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 F2 O2 -","- C26 H22 F2 O2 -","- C104 H88 F8 O8 -","4","1","","Robert J. Phipps; F. Dean Toste","Chiral Anion Phase-Transfer Catalysis Applied to the Direct Enantioselective Fluorinative Dearomatization of Phenols","Journal of the American Chemical Society","2013","135","","1268","1271","10.1021/ja311798q","","","1.54178","CuKα","","0.0315","0.0303","","","0.0809","0.0819","","","","","","1.033","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119248","8.5203","0.0002","9.0253","0.0003","9.8139","0.0003","84.4633","0.0017","86.7504","0.0017","85.1185","0.0016","747.53","0.04","93","2","93","2","","","","","","","","7","P 1","P 1","1","","","","- C30 H43 B Cl F2 N3 O2 -","- C30 H43 B Cl F2 N3 O2 -","- C30 H43 B Cl F2 N3 O2 -","1","1","","Bin Dong; Tsuneaki Sakurai; Yoshihito Honsho; Shu Seki; Hiromitsu Maeda","Cation Modules as Building Blocks Forming Supramolecular Assemblies with Planar Receptor-Anion Complexes","Journal of the American Chemical Society","2013","135","","1284","1287","10.1021/ja312214a","","","1.54187","CuKα","","0.0772","0.0621","","","0.1379","0.1521","","","","","","0.993","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119249","21.1495","0.0004","16.78","0.0003","16.4444","0.0003","90","","114.724","0.0011","90","","5300.97","0.17","93","2","93","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 B Cl F6 N3 O3.5 -","- C24 H30 B Cl F6 N3 O3.5 -","- C192 H240 B8 Cl8 F48 N24 O28 -","8","1","","Bin Dong; Tsuneaki Sakurai; Yoshihito Honsho; Shu Seki; Hiromitsu Maeda","Cation Modules as Building Blocks Forming Supramolecular Assemblies with Planar Receptor-Anion Complexes","Journal of the American Chemical Society","2013","135","","1284","1287","10.1021/ja312214a","","","1.54187","CuKα","","0.0587","0.0486","","","0.1237","0.1318","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119250","16.7881","0.0012","16.8248","0.0011","22.9363","0.0018","91.583","0.004","109.045","0.004","95.431","0.003","6084.6","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H110 K9 N5 O133 Se2 W29 -","- C2 K9.4 N O117.7 Se2 W29 -","- C4 K18.8 N2 O235.4 Se4 W58 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1152","0.0865","","","0.2162","0.2492","","","","","","1.078","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119251","20.9947","0.0004","23.7936","0.0004","24.411","0.0004","104.343","0.002","107.505","0.002","103.022","0.002","10657.3","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C14 H177 Co2.5 K10 N7 O205 Se3 W42.5 -","- C3.8 Co2.5 K9.4 N5 O183.2 Se3 W42.5 -","- C7.6 Co5 K18.8 N10 O366.4 Se6 W85 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1226","0.0472","","","0.0938","0.1065","","","","","","0.811","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119252","29.7948","0.0008","42.6071","0.0013","32.5874","0.0009","90","","107.374","0.001","90","","39481","2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H294.5 Co1.25 K28 N11 O402 Se8 W87 -","- C5.5 Co1.25 K26 N3.5 O361.45 Se8 W87 -","- C22 Co5 K104 N14 O1445.8 Se32 W348 -","4","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.0915","0.0564","","","0.1242","0.1493","","","","","","1.098","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119253","23.7964","0.0013","27.8126","0.0016","41.466","0.002","108.952","0.003","104.631","0.003","101.886","0.003","23838","2","150","2","150","2","","","","","","","","10","P -1","-P 1","2","","","","- C34 H472 Cl K23 N17 Na3 Ni2 O480 Se8 W91 -","- C18.5 Cl K14 N11.5 Na1.5 Ni2 O352.2 Se8 W91 -","- C37 Cl2 K28 N23 Na3 Ni4 O704.4 Se16 W182 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1193","0.0578","","","0.1309","0.1674","","","","","","1.062","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119254","28.6539","0.0004","31.8568","0.0006","37.004","0.0006","81.405","0.001","81.801","0.001","66.601","0.002","30522.8","1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H600 K34 Mn2 N20 O620 Se8 W118 -","- C6.3 K27 Mn2 N4.4 O471.1 Se8 W118 -","- C12.6 K54 Mn4 N8.8 O942.2 Se16 W236 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1595","0.0587","","","0.1258","0.147","","","","","","0.855","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119255","24.2248","0.0009","34.0703","0.0013","38.6487","0.0014","74.287","0.002","77.327","0.002","72.61","0.002","28968.3","1.9","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H510 Co2 K39 N19 Na0 O580 Se8 W118 -","- C2.5 Co2 K29.7 N3 O447.1 Se8 W118 -","- C5 Co4 K59.4 N6 O894.2 Se16 W236 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1347","0.0994","","","0.2153","0.2384","","","","","","1.2","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119256","24.2094","0.0005","34.0606","0.0008","38.6461","0.0008","74.288","0.001","77.319","0.001","72.362","0.001","28904.2","1.1","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H513 K36 N19 Ni2 O580 Se8 W118 -","- C13.7 K28.45 N8 Ni2 O472.05 Se8 W118.01 -","- C27.4 K56.9 N16 Ni4 O944.1 Se16 W236.02 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1373","0.0593","","","0.1364","0.1856","","","","","","1.059","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119257","24.2676","0.0007","34.0705","0.001","38.7161","0.0011","74.163","0.002","77.371","0.002","72.63","0.002","29061.6","1.5","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39.5 H521 K36 N19 O580 Se8 W118 Zn2 -","- C9.9 K28.05 N8 O472.4 Se8 W118 Zn2 -","- C19.8 K56.1 N16 O944.8 Se16 W236 Zn4 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1306","0.063","","","0.1464","0.2019","","","","","","1.155","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119258","24.2441","0.0008","33.9935","0.0011","38.6904","0.0013","74.306","0.002","77.339","0.002","72.883","0.002","28998.4","1.7","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H514 Cu2 K34 N18 O586 Se8 W119 -","- C13.3 Cu2 K26.1 N10.9 O486.1 Se8 W119 -","- C26.6 Cu4 K52.2 N21.8 O972.2 Se16 W238 -","2","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.1083","0.0607","","","0.1336","0.1596","","","","","","1.062","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119259","46.5979","0.0008","46.5979","0.0008","35.8791","0.0011","90","","90","","120","","67469","3","150","2","150","2","","","","","","","","9","R -3 :H","-R 3","148","","","","- C18 H616 Cl3 Cu9 K90 N9 O876 Se12 W174 -","- C3 Cl3 Cu9 K63.9 N3 O850.6 Se12 W174 -","- C9 Cl9 Cu27 K191.7 N9 O2551.8 Se36 W522 -","3","0.166667","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.0486","0.0322","","","0.0702","0.0725","","","","","","1.02","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119260","26.7648","0.001","35.311","0.0016","32.0625","0.0012","90","","102.325","0.002","90","","29604","2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H226 K26 O314 Se4 W60 -","- K16.4 O277.3 Se4 W60 -","- K65.6 O1109.2 Se16 W240 -","4","1","","Jing Gao; Jun Yan; Sebastian Beeg; De-Liang Long; Leroy Cronin","One-Pot versus Sequential Reactions in the Self-Assembly of Gigantic Nanoscale Polyoxotungstates","Journal of the American Chemical Society","2013","135","","1796","1805","10.1021/ja309237x","","","0.71073","MoKα","","0.0629","0.0396","","","0.0935","0.1068","","","","","","1.043","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119261","6.7622","0.0001","12.0974","0.0002","15.0929","0.0003","77.438","0.001","80.812","0.001","78.147","0.001","1170.84","0.04","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 S3 -","- C26 H32 N2 S3 -","- C52 H64 N4 S6 -","2","1","","Andrew C. Stuart; John R. Tumbleston; Huaxing Zhou; Wentao Li; Shubin Liu; Harald Ade; Wei You","Fluorine Substituents Reduce Charge Recombination and Drive Structure and Morphology Development in Polymer Solar Cells","Journal of the American Chemical Society","2013","135","","1806","1815","10.1021/ja309289u","","","1.54178","CuKα","","0.0367","0.0328","","","0.0847","0.0878","","","","","","1.03","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119262","37.236","0.002","5.115","0.0005","27.5448","0.0018","90","","113.622","0.004","90","","4806.7","0.6","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H33 F N2 S3 -","- C26 H33 F N2 S3 -","- C208 H264 F8 N16 S24 -","8","1","","Andrew C. Stuart; John R. Tumbleston; Huaxing Zhou; Wentao Li; Shubin Liu; Harald Ade; Wei You","Fluorine Substituents Reduce Charge Recombination and Drive Structure and Morphology Development in Polymer Solar Cells","Journal of the American Chemical Society","2013","135","","1806","1815","10.1021/ja309289u","","","1.54178","CuKα","","0.131","0.0655","","","0.1429","0.1734","","","","","","0.948","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119263","15.6165","0.0006","4.8797","0.0002","16.5462","0.0007","90","","100.974","0.003","90","","1237.83","0.09","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 F2 N2 S3 -","- C26 H30 F2 N2 S3 -","- C52 H60 F4 N4 S6 -","2","0.5","","Andrew C. Stuart; John R. Tumbleston; Huaxing Zhou; Wentao Li; Shubin Liu; Harald Ade; Wei You","Fluorine Substituents Reduce Charge Recombination and Drive Structure and Morphology Development in Polymer Solar Cells","Journal of the American Chemical Society","2013","135","","1806","1815","10.1021/ja309289u","","","1.54178","CuKα","","0.0671","0.0499","","","0.1219","0.1307","","","","","","1.059","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119264","13.5053","0.0002","15.0706","0.0002","15.8304","0.0003","89.677","0.001","75.827","0.001","74.276","0.001","3000.66","0.09","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H53 Cl4 N5 O8 Zn -","- C69 H53 Cl4 N5 O8 Zn -","- C138 H106 Cl8 N10 O16 Zn2 -","2","1","","Harry Adams; Elena Chekmeneva; Christopher A. Hunter; Maria Cristina Misuraca; Cristina Navarro; Simon M. Turega","Quantification of the Effect of Conformational Restriction on Supramolecular Effective Molarities","Journal of the American Chemical Society","2013","135","","1853","1863","10.1021/ja310221t","","","0.71073","MoKα","","0.1168","0.0839","","","0.1797","0.2009","","","","","","1.085","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119265","8.1356","0.0001","24.0863","0.0004","14.2335","0.0002","90","","100.981","0.001","90","","2738.08","0.07","193","2","193","2","","","","","","","chemical synthesis","6","P 1 21 1","P 2yb","4","MPL-X-119#2","(4S,12bS)-4-(4-Bromophenyl)-12-tosyl-1,3,4,6,7,12b-hexahydro- indolo[2,3-a]quinolizin-2(12H)-one Hemi(benzene) Solvate","","- C31 H28 Br N2 O3 S -","- C31 H28 Br N2 O3 S -","- C124 H112 Br4 N8 O12 S4 -","4","2","","Mathieu P. Lalonde; Meredeth A. McGowan; Naomi S. Rajapaksa; Eric N. Jacobsen","Enantioselective Formal Aza-Diels-Alder Reactions of Enones with Cyclic Imines Catalyzed by Primary Aminothioureas","Journal of the American Chemical Society","2013","135","","1891","1894","10.1021/ja310718f","","","0.71073","MoKα","","0.0592","0.0417","","","0.0884","0.0959","","","","","","1","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119266","8.7374","0.0001","9.172","0.0001","30.6914","0.0004","90","","90","","90","","2459.59","0.05","193","2","193","2","","","","","","","chemical synthesis","6","P 21 21 21","P 2ac 2ab","19","MPL-X-119#1","(4<i>R</i>,12b<i>S</i>)-4-(4-Bromophenyl)-12-tosyl-1,3,4,6,7,12b- hexahydro-indolo[2,3-<i>a</i>]quinolizin-2(12<i>H</i>)-one","","- C28 H25 Br N2 O3 S -","- C28 H25 Br N2 O3 S -","- C112 H100 Br4 N8 O12 S4 -","4","1","","Mathieu P. Lalonde; Meredeth A. McGowan; Naomi S. Rajapaksa; Eric N. Jacobsen","Enantioselective Formal Aza-Diels-Alder Reactions of Enones with Cyclic Imines Catalyzed by Primary Aminothioureas","Journal of the American Chemical Society","2013","135","","1891","1894","10.1021/ja310718f","","","0.71073","MoKα","","0.0521","0.0354","","","0.077","0.0835","","","","","","1.017","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119267","15.4783","0.0003","14.6562","0.0003","27.0866","0.0005","90","","122.281","0.001","90","","5194.95","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 B2 F8 N10 O2 Ru -","- C46 H44 B2 F8 N10 O2 Ru -","- C184 H176 B8 F32 N40 O8 Ru4 -","4","1","","Douglas G. Brown; Phil A. Schauer; Javier Borau-Garcia; Brandon R. Fancy; Curtis P. Berlinguette","Stabilization of Ruthenium Sensitizers to TiO2 Surfaces through Cooperative Anchoring Groups","Journal of the American Chemical Society","2013","135","","1692","1695","10.1021/ja310965h","","","0.71073","MoKα","","0.0806","0.0659","","","0.1643","0.1738","","","","","","1.112","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119268","13.0493","0.0002","18.9726","0.0004","23.3282","0.0005","90","","106.611","0.001","90","","5534.55","0.19","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 B2 F8 N10 O6 P2 Ru -","- C50 H56 B2 F8 N10 O6 P2 Ru -","- C200 H224 B8 F32 N40 O24 P8 Ru4 -","4","1","","Douglas G. Brown; Phil A. Schauer; Javier Borau-Garcia; Brandon R. Fancy; Curtis P. Berlinguette","Stabilization of Ruthenium Sensitizers to TiO2 Surfaces through Cooperative Anchoring Groups","Journal of the American Chemical Society","2013","135","","1692","1695","10.1021/ja310965h","","","0.71073","MoKα","","0.0841","0.0664","","","0.1621","0.1756","","","","","","1.083","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119269","17.6552","0.0004","16.7076","0.0006","21.9443","0.0002","90","","107.569","0.002","90","","6171.1","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H58 B2 F8 N10 O8 P2 Ru -","- C52 H58 B2 F8 N10 O8 P2 Ru -","- C208 H232 B8 F32 N40 O32 P8 Ru4 -","4","0.5","","Douglas G. Brown; Phil A. Schauer; Javier Borau-Garcia; Brandon R. Fancy; Curtis P. Berlinguette","Stabilization of Ruthenium Sensitizers to TiO2 Surfaces through Cooperative Anchoring Groups","Journal of the American Chemical Society","2013","135","","1692","1695","10.1021/ja310965h","","","0.71073","MoKα","","0.0886","0.0789","","","0.2094","0.2189","","","","","","1.057","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119270","8.3848","0.0002","11.5802","0.0004","14.6971","0.0004","86.343","0.001","84.661","0.001","71.837","0.001","1349.15","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H24 B2 N4 -","- C10 H24 B2 N4 -","- C40 H96 B8 N16 -","4","2","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0408","0.035","","","0.0955","0.0999","","","","","","1.047","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119271","8.308","0.0005","9.4176","0.0006","13.338","0.0008","94.437","0.002","96.989","0.003","92.319","0.002","1031.41","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 B N Si2 -","- C20 H28 B N Si2 -","- C40 H56 B2 N2 Si4 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.041","0.0372","","","0.0922","0.0941","","","","","","1.125","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119272","12.7499","0.0007","8.977","0.0005","24.3871","0.0013","90","","94.498","0.002","90","","2782.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H43 B2 N5 Si2 -","- C23 H43 B2 N5 Si2 -","- C92 H172 B8 N20 Si8 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0403","0.0357","","","0.0929","0.0976","","","","","","1.032","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119273","27.347","0.004","9.5289","0.0014","20.081","0.003","90","","104.863","0.007","90","","5057.8","1.3","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H42 B3 N5 Si2 -","- C16 H42 B3 N5 Si2 -","- C128 H336 B24 N40 Si16 -","8","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0506","0.0434","","","0.1152","0.1232","","","","","","1.067","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119274","10.9744","0.0008","11.7456","0.0009","13.8486","0.0011","78.514","0.004","72.072","0.003","76.311","0.003","1634.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H45 B N2 -","- C40 H45 B N2 -","- C80 H90 B2 N4 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0654","0.0533","","","0.141","0.1475","","","","","","1.067","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119275","19.44","0.0011","7.7986","0.0004","16.3633","0.0009","90","","110.116","0.003","90","","2329.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 B2 N3 Si2 -","- C18 H35 B2 N3 Si2 -","- C72 H140 B8 N12 Si8 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0996","0.0502","","","0.1104","0.1295","","","","","","1.007","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119276","10.7942","0.0007","11.752","0.0007","11.9824","0.0007","104.257","0.0032","94.752","0.0031","91.137","0.0033","1466.85","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H47 B2 N5 Si3 -","- C20 H47 B2 N5 Si3 -","- C40 H94 B4 N10 Si6 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0683","0.0528","","","0.1374","0.1484","","","","","","1.028","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119277","8.8762","0.0004","11.8267","0.0006","15.1722","0.0008","85.547","0.002","77.086","0.002","80.498","0.002","1529.76","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H41 B N2 -","- C37 H41 B N2 -","- C74 H82 B2 N4 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0525","0.0437","","","0.1158","0.1241","","","","","","1.027","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119278","16.0641","0.0012","11.2963","0.0009","16.6406","0.0014","90","","90.811","0.003","90","","3019.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H50 B3 N7 Si2 -","- C21 H50 B3 N7 Si2 -","- C84 H200 B12 N28 Si8 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Sundargopal Ghosh; Thomas Kramer; Bernd Pfaffinger; Krzysztof Radacki; Alfredo Vargas","Electronic and Structural Effects of Stepwise Borylation and Quaternization on Borirene Aromaticity","Journal of the American Chemical Society","2013","135","","1903","1911","10.1021/ja3110126","","","0.71073","MoKα","","0.0471","0.0368","","","0.0944","0.1004","","","","","","1.041","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119279","17.0113","0.0009","17.0113","0.0009","17.0113","0.0009","90","","90","","90","","4922.8","0.5","100","2","100","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba16 Cs8 Ga39.7 Sn96.3 -","- Ba16 Cs8 Ga39.488 Sn96.512 -","- Ba16 Cs8 Ga39.488 Sn96.512 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0161","0.0131","","","0.028","0.0286","","","","","","1.143","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119280","17.0145","0.0006","17.0145","0.0006","17.0145","0.0006","90","","90","","90","","4925.6","0.3","150","2","150","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba16 Cs8 Ga39.7 Sn96.3 -","- Ba16 Cs8 Ga40 Sn96 -","- Ba16 Cs8 Ga40 Sn96 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0197","0.0176","","","0.034","0.0351","","","","","","1.225","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119281","17.0283","0.0005","17.0283","0.0005","17.0283","0.0005","90","","90","","90","","4937.6","0.3","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba16 Cs8 Ga39.7 Sn96.3 -","- Ba16 Cs8 Ga39.856 Sn96.144 -","- Ba16 Cs8 Ga39.856 Sn96.144 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0189","0.0163","","","0.0315","0.0325","","","","","","1.261","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119282","17.0347","0.0006","17.0347","0.0006","17.0347","0.0006","90","","90","","90","","4943.1","0.3","250","2","250","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba16 Cs8 Ga39.7 Sn96.3 -","- Ba16 Cs8 Ga39.616 Sn96.384 -","- Ba16 Cs8 Ga39.616 Sn96.384 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0189","0.0149","","","0.0346","0.0357","","","","","","1.117","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119283","17.0367","0.0005","17.0367","0.0005","17.0367","0.0005","90","","90","","90","","4944.9","0.3","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba13.3 Ga36.4 Rb9.9 Sn99.6 -","- Ba13.28 Ga36.64 Rb9.44 Sn99.36 -","- Ba13.28 Ga36.64 Rb9.44 Sn99.36 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0194","0.0157","","","0.0393","0.0403","","","","","","1.19","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119284","17.0136","0.0009","17.0136","0.0009","17.0136","0.0009","90","","90","","90","","4924.8","0.5","100","2","100","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba14 Ga30.4 K2 Sn105.6 -","- Ba14.016 Ga30.4 K1.984 Sn105.6 -","- Ba14.016 Ga30.4 K1.984 Sn105.6 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0256","0.0246","","","0.0904","0.0909","","","","","","1.376","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119285","17.0235","0.0008","17.0235","0.0008","17.0235","0.0008","90","","90","","90","","4933.4","0.4","423","2","423","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba14 Ga30.4 K2 Sn105.6 -","- Ba13.952 Ga30.4 K2.048 Sn105.6 -","- Ba13.952 Ga30.4 K2.048 Sn105.6 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0256","0.0246","","","0.0869","0.0873","","","","","","1.267","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119286","17.0292","0.0006","17.0292","0.0006","17.0292","0.0006","90","","90","","90","","4938.4","0.3","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba15 Ga30.4 K2 Sn105.6 -","- Ba14.032 Ga30.32 K1.968 Sn105.68 -","- Ba14.032 Ga30.32 K1.968 Sn105.68 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0271","0.0259","","","0.091","0.0918","","","","","","1.326","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119287","17.049","0.003","17.049","0.003","17.049","0.003","90","","90","","90","","4955.6","1.5","250","2","250","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba14 Ga30.4 K2 Sn105.6 -","- Ba13.936 Ga30.32 K2.064 Sn105.68 -","- Ba13.936 Ga30.32 K2.064 Sn105.68 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.0264","0.0247","","","0.0895","0.0901","","","","","","1.354","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119288","16.9963","0.0015","16.9963","0.0015","16.9963","0.0015","90","","90","","90","","4909.8","0.8","200","2","200","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ba16 Ga32.1 Na0 Sn103.9 -","- Ba16 Ga32.08 Sn103.92 -","- Ba16 Ga32.08 Sn103.92 -","1","0.00520833","","Marion C. Schäfer; Svilen Bobev","Tin Clathrates with the Type II Structure","Journal of the American Chemical Society","2013","135","","1696","1699","10.1021/ja3112934","","","0.71073","MoKα","","0.038","0.035","","","0.086","0.0884","","","","","","1.156","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119289","10.2033","0.0009","12.0862","0.0011","14.9782","0.0014","90.727","0.007","106.403","0.007","96.001","0.007","1760.5","0.3","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H102 Fe2 N13 O2 S2 -","- C72 H102 Fe2 N13 O2 S2 -","- C72 H102 Fe2 N13 O2 S2 -","1","0.5","","Antonia Albers; Serhiy Demeshko; Kevin Pröpper; Sebastian Dechert; Eckhard Bill; Franc Meyer","A Super-Reduced Diferrous [2Fe-2S] Cluster","Journal of the American Chemical Society","2013","135","","1704","1707","10.1021/ja311563y","","","0.71073","MoKα","","0.1078","0.0722","","","0.1445","0.1569","","","","","","1.146","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119290","19.1325","0.0012","32.261","0.002","14.0926","0.001","90","","104.271","0.003","90","","8430","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82.88 H127.6 Fe2 N14.95 O2.96 S2 -","- C82.868 H127.576 Fe2 N14.956 O2.956 S2 -","- C331.472 H510.304 Fe8 N59.824 O11.824 S8 -","4","0.5","","Antonia Albers; Serhiy Demeshko; Kevin Pröpper; Sebastian Dechert; Eckhard Bill; Franc Meyer","A Super-Reduced Diferrous [2Fe-2S] Cluster","Journal of the American Chemical Society","2013","135","","1704","1707","10.1021/ja311563y","","","1.54178","CuKα","","0.0692","0.0655","","","0.1811","0.1844","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119291","10.8043","0.0011","11.5139","0.0011","21.738","0.002","91.92","0.003","100.799","0.003","99.856","0.004","2611.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H98 Ni2 P4 -","- C52.006 H98.011 Ni2 P4.001 -","- C104.012 H196.022 Ni4 P8.002 -","2","1","","Josep Cornella; Enrique Gómez-Bengoa; Ruben Martin","Combined Experimental and Theoretical Study on the Reductive Cleavage of Inert C-O Bonds with Silanes: Ruling out a Classical Ni(0)/Ni(II) Catalytic Couple and Evidence for Ni(I) Intermediates","Journal of the American Chemical Society","2013","135","","1997","2009","10.1021/ja311940s","","","0.71073","MoKα","","0.0628","0.0398","","","0.0786","0.0866","","","","","","1.027","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119292","9.438","0.003","10.735","0.003","13.576","0.004","88.462","0.011","85.951","0.011","86.21","0.011","1368.7","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H94 Ni2 O2 P2 -","- C61.1 H94.24 Ni2 O2 P2 -","- C61.1 H94.24 Ni2 O2 P2 -","1","0.5","","Josep Cornella; Enrique Gómez-Bengoa; Ruben Martin","Combined Experimental and Theoretical Study on the Reductive Cleavage of Inert C-O Bonds with Silanes: Ruling out a Classical Ni(0)/Ni(II) Catalytic Couple and Evidence for Ni(I) Intermediates","Journal of the American Chemical Society","2013","135","","1997","2009","10.1021/ja311940s","","","0.71073","MoKα","","0.1502","0.0646","","","0.0892","0.1111","","","","","","0.952","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119293","9.655","0.004","9.761","0.004","22.161","0.01","87.116","0.017","86.4","0.02","60.58","0.012","1815.1","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H70 Ni O P2 -","- C38 H70 Ni O P2 -","- C76 H140 Ni2 O2 P4 -","2","1","","Josep Cornella; Enrique Gómez-Bengoa; Ruben Martin","Combined Experimental and Theoretical Study on the Reductive Cleavage of Inert C-O Bonds with Silanes: Ruling out a Classical Ni(0)/Ni(II) Catalytic Couple and Evidence for Ni(I) Intermediates","Journal of the American Chemical Society","2013","135","","1997","2009","10.1021/ja311940s","","","0.71073","MoKα","","0.0981","0.066","","","0.1582","0.174","","","","","","1.085","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119294","9.8868","0.0007","15.7737","0.0011","23.2598","0.0017","90","","95.368","0.002","90","","3611.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H66 Ni O P2 -","- C37 H66 Ni O P2 -","- C148 H264 Ni4 O4 P8 -","4","1","","Josep Cornella; Enrique Gómez-Bengoa; Ruben Martin","Combined Experimental and Theoretical Study on the Reductive Cleavage of Inert C-O Bonds with Silanes: Ruling out a Classical Ni(0)/Ni(II) Catalytic Couple and Evidence for Ni(I) Intermediates","Journal of the American Chemical Society","2013","135","","1997","2009","10.1021/ja311940s","","","0.71073","MoKα","","0.0904","0.0483","","","0.0955","0.1092","","","","","","1.015","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119295","22.202","0.006","10.251","0.003","19.971","0.006","90","","109.863","0.011","90","","4275","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H73 Cl Ni P2 -","- C46 H73 Cl Ni P2 -","- C184 H292 Cl4 Ni4 P8 -","4","1","","Josep Cornella; Enrique Gómez-Bengoa; Ruben Martin","Combined Experimental and Theoretical Study on the Reductive Cleavage of Inert C-O Bonds with Silanes: Ruling out a Classical Ni(0)/Ni(II) Catalytic Couple and Evidence for Ni(I) Intermediates","Journal of the American Chemical Society","2013","135","","1997","2009","10.1021/ja311940s","","","0.71073","MoKα","","0.0977","0.0518","","","0.1027","0.1159","","","","","","1.06","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119296","8.5829","0.0008","10.7976","0.0011","12.1925","0.0011","90","","90","","90","","1129.94","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Cr O3 -","- C13 H10 Cr O3 -","- C52 H40 Cr4 O12 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0641","0.0425","","","0.082","0.0888","","","","","","1.017","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119297","11.3772","0.0011","7.8567","0.0008","19.3845","0.0014","90","","122.805","0.004","90","","1456.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cr O3 Pd -","- C16 H14 Cr O3 Pd -","- C64 H56 Cr4 O12 Pd4 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0658","0.0407","","","0.0897","0.1003","","","","","","1.052","","","","has coordinates","178963","2020-10-21","18:00:00",""
"4119298","11.887","0.0006","7.8928","0.0004","18.9704","0.0007","90","","124.807","0.002","90","","1461.39","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cr O3 Pd -","- C16 H14 Cr O3 Pd -","- C64 H56 Cr4 O12 Pd4 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.044","0.0266","","","0.0551","0.0592","","","","","","0.996","","","","has coordinates,has disorder","178963","2020-10-21","18:00:00",""
"4119299","9.4974","0.0012","10.1697","0.0013","11.2987","0.0015","81.698","0.003","85.039","0.003","85.655","0.002","1073.6","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Cr O3 Pd -","- C24 H24 Cr O3 Pd -","- C48 H48 Cr2 O6 Pd2 -","2","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0675","0.0387","","","0.0772","0.0858","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119300","17.4301","0.0014","6.2255","0.0004","17.161","0.0011","90","","93.217","0.002","90","","1859.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cr O3 Pd -","- C22 H18 Cr O3 Pd -","- C88 H72 Cr4 O12 Pd4 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.1228","0.082","","","0.1603","0.1766","","","","","","1.158","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119301","12.2434","0.0004","10.1444","0.0003","13.4031","0.0004","90","","120.876","0.002","90","","1428.77","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cr O3 -","- C16 H14 Cr O3 -","- C64 H56 Cr4 O12 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0366","0.0283","","","0.0731","0.0808","","","","","","1.066","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119302","17.686","0.001","6.539","0.001","19.146","0.001","90","","91.351","0.001","90","","2213.6","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cr2 O6 -","- C26 H18 Cr2 O6 -","- C104 H72 Cr8 O24 -","4","0.5","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71069","MoKα","","0.0581","0.0462","","","0.1068","0.1167","","","","","","1.104","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119303","8.6801","0.0004","13.3358","0.0007","13.546","0.0005","90","","116.027","0.002","90","","1409.01","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cr O3 -","- C16 H14 Cr O3 -","- C64 H56 Cr4 O12 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0551","0.0404","","","0.0906","0.1019","","","","","","1.137","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119304","8.5384","0.0002","13.8731","0.0005","13.9991","0.0004","90","","113.786","0.001","90","","1517.4","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cr O3 -","- C17 H16 Cr O3 -","- C68 H64 Cr4 O12 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0521","0.0365","","","0.0914","0.0987","","","","","","1.067","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119305","16.3561","0.0004","7.2648","0.0002","15.5762","0.0004","90","","102.821","0.002","90","","1804.68","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cr O3 -","- C22 H18 Cr O3 -","- C88 H72 Cr4 O12 -","4","1","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71073","MoKα","","0.0666","0.0412","","","0.0962","0.1064","","","","","","1.01","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119306","23.165","0.001","7.513","0.001","13.761","0.001","90","","103.936","0.001","90","","2324.5","0.4","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cr2 O6 -","- C26 H18 Cr2 O6 -","- C104 H72 Cr8 O24 -","4","0.5","","Christophe Werlé; Mustapha Hamdaoui; Corinne Bailly; Xavier-Frédéric Le Goff; Lydia Brelot; Jean-Pierre Djukic","Electron-Deficient η1-Indenyl,η3-allylpalladium(II) Complexes Stabilized by Fluxional Non-covalent Interactions","Journal of the American Chemical Society","2013","135","","1715","1718","10.1021/ja312003q","","","0.71069","MoKα","","0.0416","0.0367","","","0.0913","0.0954","","","","","","1.09","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119307","13.5032","0.0004","14.9415","0.0005","17.9245","0.0006","96.497","0.002","107.341","0.002","103.535","0.002","3290.33","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H96 Mo2 N2 O12 S4 -","- C60 H96 Mo2 N2 O12 S4 -","- C120 H192 Mo4 N4 O24 S8 -","2","1","","Luke A. Wilkinson; Laura McNeill; Anthony J. H. M. Meijer; Nathan J. Patmore","Mixed Valency in Hydrogen Bonded 'Dimers of Dimers'","Journal of the American Chemical Society","2013","135","","1723","1726","10.1021/ja312176x","","","0.71073","MoKα","","0.1279","0.0674","","","0.1625","0.2072","","","","","","1.033","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119308","11.7619","0.0011","14.1426","0.0013","14.8459","0.0013","93.888","0.003","103.095","0.003","93.82","0.003","2391.2","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H118 F6 Mo4 N4 O18 -","- C92 H118 F6 Mo4 N4 O18 -","- C92 H118 F6 Mo4 N4 O18 -","1","0.5","","Luke A. Wilkinson; Laura McNeill; Anthony J. H. M. Meijer; Nathan J. Patmore","Mixed Valency in Hydrogen Bonded 'Dimers of Dimers'","Journal of the American Chemical Society","2013","135","","1723","1726","10.1021/ja312176x","","","0.71073","MoKα","","0.1597","0.0734","","","0.1707","0.2113","","","","","","0.99","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119309","11.497","0.005","13.961","0.006","16.959","0.007","106.591","0.005","98.874","0.004","109.146","0.005","2370.3","1.8","123","2","123","2","","","","","","","","4","P -1","-P 1","2","thiophene-fused bisdehydro[12]annulene","tetrakis[5-(t-butyldimethylsilyl)thieno]bisdehydro[12]annulene","","- C44 H64 S4 Si4 -","- C44 H64 S4 Si4 -","- C88 H128 S8 Si8 -","2","1","","Aiko Fukazawa; Hiroya Oshima; Yoshihito Shiota; Shouya Takahashi; Kazunari Yoshizawa; Shigehiro Yamaguchi","Thiophene-Fused Bisdehydro[12]annulene That Undergoes Transannular Alkyne Cycloaddition by Either Light or Heat","Journal of the American Chemical Society","2013","135","","1731","1734","10.1021/ja3126849","","","0.7107","MoKα","","0.0981","0.0718","","","0.1329","0.1476","","","","","","1.104","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119310","10.6334","0.0014","10.7115","0.0018","12.35","0.002","84.873","0.014","65.04","0.01","64.838","0.01","1147.3","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","thiophene-fused biphenylene","tetrakis[(t-butyldimethylsilyl)thieno]biphenylene","","- C44 H64 S4 Si4 -","- C44 H64 S4 Si4 -","- C44 H64 S4 Si4 -","1","0.5","","Aiko Fukazawa; Hiroya Oshima; Yoshihito Shiota; Shouya Takahashi; Kazunari Yoshizawa; Shigehiro Yamaguchi","Thiophene-Fused Bisdehydro[12]annulene That Undergoes Transannular Alkyne Cycloaddition by Either Light or Heat","Journal of the American Chemical Society","2013","135","","1731","1734","10.1021/ja3126849","","","0.7107","MoKα","","0.0609","0.0453","","","0.0996","0.108","","","","","","1.07","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119311","28.3177","0.0016","28.3177","0.0016","10.7605","0.0006","90","","90","","90","","8628.8","0.8","120","2","120","2","","","","","","","","7","P 42/n","-P 4bc","86","","","","- C45 H39 Cl2 F6 N P2 Ru -","- C45 H39 Cl2 F6 N P2 Ru -","- C360 H312 Cl16 F48 N8 P16 Ru8 -","8","","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.71073","MoKα","","0.1411","0.0981","","","0.1949","0.2139","","","","","","1.047","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119312","9.2663","0.0014","10.8938","0.0017","18.206","0.003","106.655","0.003","98.593","0.003","101.394","0.003","1684","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 Cl2 F6 N2 P2 Ru -","- C34 H32 Cl2 F6 N2 P2 Ru -","- C68 H64 Cl4 F12 N4 P4 Ru2 -","2","1","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.71073","MoKα","","0.0479","0.0369","","","0.0818","0.0876","","","","","","1.05","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119313","11.314","0.0006","12.9363","0.0007","13.8288","0.0007","78.905","0.001","66.394","0.001","70.515","0.001","1744.35","0.16","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 Cl2 F6 N P2 Ru -","- C37 H33 Cl2 F6 N P2 Ru -","- C74 H66 Cl4 F12 N2 P4 Ru2 -","2","1","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.71073","MoKα","","0.041","0.0341","","","0.0794","0.0835","","","","","","1.041","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119314","10.7329","0.0003","18.4072","0.0004","18.7217","0.0005","90","","91.511","0.003","90","","3697.42","0.16","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl2 F9 N P2 Ru -","- C38 H32 Cl2 F9 N P2 Ru -","- C152 H128 Cl8 F36 N4 P8 Ru4 -","4","1","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.7107","MoKα","","0.0502","0.0373","","","0.0762","0.082","","","","","","1.032","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119315","12.3602","0.0011","15.4872","0.0011","17.2133","0.001","90","","96.724","0.006","90","","3272.4","0.4","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 F3 N P Ru -","- C40 H36 F3 N P Ru -","- C160 H144 F12 N4 P4 Ru4 -","4","1","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.7107","MoKα","","0.0482","0.036","","","0.0812","0.0879","","","","","","1.059","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119316","11.4116","0.0007","12.9092","0.0006","13.8078","0.0006","85.101","0.004","65.774","0.005","70.153","0.005","1741.33","0.18","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 Cl2 F6 N P2 Ru -","- C37 H33 Cl2 F6 N P2 Ru -","- C74 H66 Cl4 F12 N2 P4 Ru2 -","2","1","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.7107","MoKα","","0.0307","0.027","","","0.0628","0.0653","","","","","","1.036","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119317","10.7064","0.0004","18.5122","0.0007","18.6411","0.0007","90","","90.298","0.003","90","","3694.6","0.2","110","0.1","110","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cl2 F9 N P2 Ru -","- C38 H32 Cl2 F9 N P2 Ru -","- C152 H128 Cl8 F36 N4 P8 Ru4 -","4","1","","David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood","Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands","Journal of the American Chemical Society","2013","135","","2222","2234","10.1021/ja3097256","","","0.7107","MoKα","","0.0601","0.0438","","","0.074","0.0802","","","","","","1.048","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119318","12.202","0.004","14.586","0.005","18.386","0.006","89.35","0.004","78.614","0.004","89.676","0.004","3207.7","1.8","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 Cl12 N2 O0 P2 U -","- C60 H66 Cl12 N2 P2 U -","- C120 H132 Cl24 N4 P4 U2 -","2","1","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.1229","0.0665","","","0.1527","0.1797","","","","","","0.974","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119319","12.689","0.004","19.686","0.006","10.718","0.003","90","","98.191","0.003","90","","2650","1.4","120","1","120","1","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C60 H50 Cl4 N2 P2 U -","- C60 Cl4 N2 P2 U -","- C120 Cl8 N4 P4 U2 -","2","0.25","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0386","0.0375","","","0.0915","0.0923","","","","","","1.038","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119320","15.5439","0.0014","22.655","0.002","8.2238","0.0007","90","","90","","90","","2896","0.4","141","1","141","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H38 I4 N2 O4 U -","- C18 H38 I4 N2 O4 U -","- C72 H152 I16 N8 O16 U4 -","4","0.5","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0349","0.0239","","","0.0551","0.06","","","","","","0.943","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119321","19.515","0.002","9.9247","0.0011","11.7598","0.0013","90","","90","","90","","2277.6","0.4","120","1","120","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C12 H30 I2 N2 O P2 U -","- C12 H30 I2 N2 O P2 U -","- C48 H120 I8 N8 O4 P8 U4 -","4","0.5","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0496","0.0397","","","0.0938","0.0967","","","","","","1.044","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119322","7.2206","0.0008","17.233","0.002","10.766","0.0012","90","","103.817","0.001","90","","1300.9","0.3","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H46 Cl4 N4 U -","- C18 H46 Cl4 N4 U -","- C36 H92 Cl8 N8 U2 -","2","0.5","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0455","0.0323","","","0.0723","0.1104","","","","","","2.599","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119323","14.9027","0.0012","11.4929","0.0009","19.6962","0.0016","90","","90","","90","","3373.5","0.5","140","1","140","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H58 Br4 N4 U -","- C24 H58 Br4 N4 U -","- C96 H232 Br16 N16 U4 -","4","0.5","","Liam P. Spencer; Ping Yang; Stefan G. Minasian; Robert E. Jilek; Enrique R. Batista; Kevin S. Boland; James M. Boncella; Steven D. Conradson; David L. Clark; Trevor W. Hayton; Stosh A. Kozimor; Richard L. Martin; Molly M. MacInnes; Angela C. Olson; Brian L. Scott; David K. Shuh; Marianne P. Wilkerson","Tetrahalide Complexes of the [U(NR)2]2+ Ion: Synthesis, Theory, and Chlorine K-Edge X-ray Absorption Spectroscopy","Journal of the American Chemical Society","2013","135","","2279","2290","10.1021/ja310575j","","","0.71073","MoKα","","0.0561","0.0332","","","0.0837","0.0903","","","","","","1.263","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119324","7.6146","0.0004","33.1008","0.0017","17.9711","0.0009","90","","99.724","0.003","90","","4464.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 N6 O2 S4 Si -","- C50 H48 N6 O2 S4 Si -","- C200 H192 N24 O8 S16 Si4 -","4","1","","Gregory C. Welch; Ronald C. Bakus; Simon J. Teat; Guillermo C. Bazan","Impact of Regiochemistry and Isoelectronic Bridgehead Substitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores","Journal of the American Chemical Society","2013","135","","2298","2305","10.1021/ja310694t","","","0.7749","synchrotron","","0.0876","0.0586","","","0.114","0.1234","","","","","","1.117","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119325","8.7918","0.0004","15.5384","0.0007","17.5548","0.0007","74.499","0.003","84.468","0.003","89.923","0.003","2299.43","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H48 N6 O2 S4 Si -","- C50 H48 N6 O2 S4 Si -","- C100 H96 N12 O4 S8 Si2 -","2","1","","Gregory C. Welch; Ronald C. Bakus; Simon J. Teat; Guillermo C. Bazan","Impact of Regiochemistry and Isoelectronic Bridgehead Substitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores","Journal of the American Chemical Society","2013","135","","2298","2305","10.1021/ja310694t","","","0.7749","synchrotron","","0.1103","0.0772","","","0.2084","0.2427","","","","","","1.034","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119326","11.7963","0.0007","13.0288","0.0008","13.8853","0.0008","98.624","0.002","103.354","0.002","97.552","0.002","2022.1","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H39 Br2 Cl3 N6 S4 Si -","- C35 H17 Br2 Cl3 N6 S4 Si -","- C70 H34 Br4 Cl6 N12 S8 Si2 -","2","1","","Gregory C. Welch; Ronald C. Bakus; Simon J. Teat; Guillermo C. Bazan","Impact of Regiochemistry and Isoelectronic Bridgehead Substitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores","Journal of the American Chemical Society","2013","135","","2298","2305","10.1021/ja310694t","","","0.71073","MoKα","","0.0818","0.0653","","","0.164","0.1678","","","","","","1.773","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119327","11.8522","0.0008","13.1085","0.0009","13.9655","0.001","98.334","0.002","103.295","0.003","97.947","0.002","2055.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H39 Br2 Cl3 Ge N6 S4 -","- C35 H17 Br2 Cl3 Ge N6 S4 -","- C70 H34 Br4 Cl6 Ge2 N12 S8 -","2","1","","Gregory C. Welch; Ronald C. Bakus; Simon J. Teat; Guillermo C. Bazan","Impact of Regiochemistry and Isoelectronic Bridgehead Substitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores","Journal of the American Chemical Society","2013","135","","2298","2305","10.1021/ja310694t","","","0.71073","MoKα","","0.0752","0.0481","","","0.1321","0.1447","","","","","","1.07","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119328","23.151","0.004","23.779","0.004","13.745","0.002","90","","90","","90","","7567","2","164","2","164","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C35 H38 Br2 N6 S4 -","- C35 H4 Br2 N6 S4 -","- C280 H32 Br16 N48 S32 -","8","1","","Gregory C. Welch; Ronald C. Bakus; Simon J. Teat; Guillermo C. Bazan","Impact of Regiochemistry and Isoelectronic Bridgehead Substitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores","Journal of the American Chemical Society","2013","135","","2298","2305","10.1021/ja310694t","","","0.71073","MoKα","","0.3091","0.1393","","","0.2487","0.2956","","","","","","1.337","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119329","7.7201","0.0004","20.3825","0.0011","18.1522","0.0009","90","","101.713","0.003","90","","2796.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 B Mn2 O4 Sn -","- C32 H25 B Mn2 O4 Sn -","- C128 H100 B4 Mn8 O16 Sn4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Sebastian Östreicher; Krzysztof Radacki; Alfredo Vargas","Ditopic Ambiphilicity of an Anionic Dimetalloborylene Complex","Journal of the American Chemical Society","2013","135","","2313","2320","10.1021/ja310895w","","","0.71073","MoKα","","0.046","0.0312","","","0.0595","0.0638","","","","","","1.022","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119330","7.7191","0.0012","20.397","0.003","18.132","0.002","90","","101.623","0.006","90","","2796.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 B Mn2 O4 Pb -","- C32 H25 B Mn2 O4 Pb -","- C128 H100 B4 Mn8 O16 Pb4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Sebastian Östreicher; Krzysztof Radacki; Alfredo Vargas","Ditopic Ambiphilicity of an Anionic Dimetalloborylene Complex","Journal of the American Chemical Society","2013","135","","2313","2320","10.1021/ja310895w","","","0.71073","MoKα","","0.0569","0.0365","","","0.0543","0.0584","","","","","","1.004","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119331","8.9066","0.0007","17.705","0.0013","23.0059","0.0018","75.632","0.003","89.376","0.003","79.664","0.003","3455.2","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H34 Ag B Mn2 N2 O4 -","- C38 H34 Ag B Mn2 N2 O4 -","- C152 H136 Ag4 B4 Mn8 N8 O16 -","4","2","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Sebastian Östreicher; Krzysztof Radacki; Alfredo Vargas","Ditopic Ambiphilicity of an Anionic Dimetalloborylene Complex","Journal of the American Chemical Society","2013","135","","2313","2320","10.1021/ja310895w","","","0.71073","MoKα","","0.0392","0.0313","","","0.0755","0.0819","","","","","","1.019","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119332","8.91","0.002","12.979","0.003","16.379","0.004","110.557","0.007","97.923","0.007","90.063","0.009","1754.1","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H34 B Cu Mn2 N2 O4 -","- C41 H34 B Cu Mn2 N2 O4 -","- C82 H68 B2 Cu2 Mn4 N4 O8 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Sebastian Östreicher; Krzysztof Radacki; Alfredo Vargas","Ditopic Ambiphilicity of an Anionic Dimetalloborylene Complex","Journal of the American Chemical Society","2013","135","","2313","2320","10.1021/ja310895w","","","0.71073","MoKα","","0.0479","0.041","","","0.1117","0.1179","","","","","","1.041","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119333","8.0182","0.0005","11.7305","0.0007","18.013","0.0011","101.789","0.002","91.958","0.002","104.741","0.002","1597.28","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H58 Au2 B2 Mn4 O8 P2 -","- C71 H58 Au2 B2 Mn4 O8 P2 -","- C71 H58 Au2 B2 Mn4 O8 P2 -","1","0.5","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Sebastian Östreicher; Krzysztof Radacki; Alfredo Vargas","Ditopic Ambiphilicity of an Anionic Dimetalloborylene Complex","Journal of the American Chemical Society","2013","135","","2313","2320","10.1021/ja310895w","","","0.71073","MoKα","","0.0212","0.0203","","","0.0493","0.0498","","","","","","1.06","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119334","13.7041","0.0003","24.2162","0.0005","21.1778","0.0004","90","","99.352","0.001","90","","6934.7","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H55 F24 N15 P4 Ru2 -","- C65 H55 F24 N15 P4 Ru2 -","- C260 H220 F96 N60 P16 Ru8 -","4","1","","Michael R. Norris; Javier J. Concepcion; Daniel P. Harrison; Robert A. Binstead; Dennis L. Ashford; Zhen Fang; Joseph L. Templeton; Thomas J. Meyer","Redox Mediator Effect on Water Oxidation in a Ruthenium-Based Chromophore-Catalyst Assembly","Journal of the American Chemical Society","2013","135","","2080","2083","10.1021/ja311645d","","","1.54184","CuKα","","0.0566","0.0483","","","0.129","0.1366","","","","","","1.039","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119335","15.028","0.003","19.542","0.004","22.785","0.005","105.22","0.03","94.06","0.03","104.83","0.03","6173","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H140 F15 N4 O31 P5 Pt2 S3 -","- C84 H122 F15 N4 O31 P5 Pt2 S3 -","- C168 H244 F30 N8 O62 P10 Pt4 S6 -","2","1","","Shijun Li; Jianying Huang; Timothy R. Cook; J. Bryant Pollock; Hyunuk Kim; Ki-Whan Chi; Peter J. Stang","Formation of [3]Catenanes from 10 Precursors via Multicomponent Coordination-Driven Self-Assembly of Metallarectangles","Journal of the American Chemical Society","2013","135","","2084","2087","10.1021/ja3118812","","","0.8","synchrotron","","0.1247","0.1183","","","0.3579","0.3672","","","","","","1.702","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119336","7.9411","0.0019","11.66","0.003","14.349","0.003","69.3944","0.0036","82.398","0.0039","82.5885","0.004","1227.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 B O P Ru -","- C28 H34 B O P Ru -","- C56 H68 B2 O2 P2 Ru2 -","2","1","","Thomas G. Ostapowicz; Carina Merkens; Markus Hölscher; Jürgen Klankermayer; Walter Leitner","Bifunctional Ruthenium(II) Hydride Complexes with Pendant Strong Lewis Acid Moieties: Structure, Dynamics, and Cooperativity","Journal of the American Chemical Society","2013","135","","2104","2107","10.1021/ja3119477","","","0.71073","MoKα","","0.073","0.0603","","","0.1348","0.141","","","","","","1.131","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4119337","24.353","0.018","13.745","0.011","19.633","0.015","90","","101.249","0.012","90","","6446","9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C69 H52 B2 F20 O2 P2 Ru2 -","- C69 H52 B2 F20 O2 P2 Ru2 -","- C276 H208 B8 F80 O8 P8 Ru8 -","4","0.5","","Thomas G. Ostapowicz; Carina Merkens; Markus Hölscher; Jürgen Klankermayer; Walter Leitner","Bifunctional Ruthenium(II) Hydride Complexes with Pendant Strong Lewis Acid Moieties: Structure, Dynamics, and Cooperativity","Journal of the American Chemical Society","2013","135","","2104","2107","10.1021/ja3119477","","","0.71073","MoKα","","0.0819","0.0584","","","0.1411","0.1499","","","","","","1.16","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4119338","15.0652","0.0011","9.7628","0.0007","22.9777","0.0016","90","","96.282","0.001","90","","3359.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 B F10 O P Ru -","- C37 H30 B F10 O P Ru -","- C148 H120 B4 F40 O4 P4 Ru4 -","4","1","","Thomas G. Ostapowicz; Carina Merkens; Markus Hölscher; Jürgen Klankermayer; Walter Leitner","Bifunctional Ruthenium(II) Hydride Complexes with Pendant Strong Lewis Acid Moieties: Structure, Dynamics, and Cooperativity","Journal of the American Chemical Society","2013","135","","2104","2107","10.1021/ja3119477","","","0.71073","MoKα","","0.0476","0.0372","","","0.0885","0.0947","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4119339","8.9432","0.0002","9.9942","0.0002","11.8822","0.0002","70.5189","0.0011","71.0817","0.001","69.358","0.0011","910.89","0.03","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 N O2 S -","- C23 H19 N O2 S -","- C46 H38 N2 O4 S2 -","2","1","","Takahiro Nishimura; Yusuke Ebe; Tamio Hayashi","Iridium-Catalyzed [3 + 2] Annulation of Cyclic N-Sulfonyl Ketimines with 1,3-Dienes via C-H Activation","Journal of the American Chemical Society","2013","135","","2092","2095","10.1021/ja311968d","","","1.54187","CuKα","","0.053","0.0464","","","0.1398","0.148","","","","","","1.093","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119340","8.9566","0.0003","9.482","0.0003","14.1756","0.0004","104.589","0.0018","90.0697","0.0018","114.248","0.0017","1054.78","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C48 H54 N2 O8 S2 -","2","1","","Takahiro Nishimura; Yusuke Ebe; Tamio Hayashi","Iridium-Catalyzed [3 + 2] Annulation of Cyclic N-Sulfonyl Ketimines with 1,3-Dienes via C-H Activation","Journal of the American Chemical Society","2013","135","","2092","2095","10.1021/ja311968d","","","1.54187","CuKα","","0.0506","0.0454","","","0.1175","0.1215","","","","","","1.114","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119341","12.5101","0.0002","10.678","0.0002","14.8831","0.0003","90","","113.176","0.0008","90","","1827.69","0.06","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F3 N O2 S -","- C20 H18 F3 N O2 S -","- C80 H72 F12 N4 O8 S4 -","4","1","","Takahiro Nishimura; Yusuke Ebe; Tamio Hayashi","Iridium-Catalyzed [3 + 2] Annulation of Cyclic N-Sulfonyl Ketimines with 1,3-Dienes via C-H Activation","Journal of the American Chemical Society","2013","135","","2092","2095","10.1021/ja311968d","","","1.54187","CuKα","","0.0574","0.0436","","","0.1021","0.114","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119342","36","0.016","36","0.016","16.05","0.008","90","","90","","120","","18014","14","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C34 H44 N4 O8 Pd2 -","- C34 H44 N4 O8 Pd2 -","- C612 H792 N72 O144 Pd36 -","18","0.5","","Shu-Yu Zhang; Gang He; William A. Nack; Yingsheng Zhao; Qiong Li; Gong Chen","Palladium-Catalyzed Picolinamide-Directed Alkylation of Unactivated C(sp3)-H Bonds with Alkyl Iodides","Journal of the American Chemical Society","2013","135","","2124","2127","10.1021/ja312277g","","","0.71073","MoKα","","0.1211","0.0861","","","0.1912","0.2106","","","","","","1.172","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119343","6.0151","0.0004","18.2558","0.0012","6.235","0.0004","90","","95.614","0.002","90","","681.38","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CS-11052","hartwig15","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C34 H38 N2 O4 -","2","1","","Christo S. Sevov; John F. Hartwig","Iridium-Catalyzed Intermolecular Asymmetric Hydroheteroarylation of Bicycloalkenes","Journal of the American Chemical Society","2013","135","","2116","2119","10.1021/ja312360c","","","1.54178","CuKα","","0.03","0.03","","","0.0729","0.0729","","","","","","1.06","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119344","14.6721","0.0008","18.2645","0.0009","32.1473","0.0015","90","","90","","90","","8614.8","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","CS-10223","hartwig14","","- C82 H116 Cl Ir O8 P2 -","- C82 H116 Cl Ir O8 P2 -","- C328 H464 Cl4 Ir4 O32 P8 -","4","1","","Christo S. Sevov; John F. Hartwig","Iridium-Catalyzed Intermolecular Asymmetric Hydroheteroarylation of Bicycloalkenes","Journal of the American Chemical Society","2013","135","","2116","2119","10.1021/ja312360c","","","0.71073","MoKα","","0.0465","0.0379","","","0.078","0.0808","","","","","","1.02","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4119345","12.3999","0.0005","4.6759","0.0002","22.7022","0.0009","90","","105.674","0.002","90","","1267.34","0.09","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Sebastian Menning; Maximilian Krämer; Benjamin A. Coombs; Frank Rominger; Andrew Beeby; Andreas Dreuw; Uwe H. F. Bunz","Twisted Tethered Tolanes: Unanticipated Long-Lived Phosphorescence at 77 K","Journal of the American Chemical Society","2013","135","","2160","2163","10.1021/ja400416r","","","0.71073","MoKα","","0.0545","0.0457","","","0.1261","0.132","","","","","","1.104","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119346","8.048","0.002","8.856","0.002","11.42","0.003","83.591","0.005","83.761","0.005","69.162","0.005","753.9","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C38 H28 O8 -","2","1","","Sebastian Menning; Maximilian Krämer; Benjamin A. Coombs; Frank Rominger; Andrew Beeby; Andreas Dreuw; Uwe H. F. Bunz","Twisted Tethered Tolanes: Unanticipated Long-Lived Phosphorescence at 77 K","Journal of the American Chemical Society","2013","135","","2160","2163","10.1021/ja400416r","","","0.71073","MoKα","","0.0816","0.0646","","","0.1765","0.189","","","","","","1.063","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119347","17.8867","0.0014","13.1372","0.0011","7.7251","0.0006","90","","90.981","0.002","90","","1815","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","1","","Sebastian Menning; Maximilian Krämer; Benjamin A. Coombs; Frank Rominger; Andrew Beeby; Andreas Dreuw; Uwe H. F. Bunz","Twisted Tethered Tolanes: Unanticipated Long-Lived Phosphorescence at 77 K","Journal of the American Chemical Society","2013","135","","2160","2163","10.1021/ja400416r","","","0.71073","MoKα","","0.0751","0.0497","","","0.1263","0.1361","","","","","","1.158","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119348","11.919","0.003","12.417","0.003","14.246","0.004","65.888","0.005","68.574","0.005","80.752","0.005","1791.3","0.8","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C96 H64 O16 -","4","2","","Sebastian Menning; Maximilian Krämer; Benjamin A. Coombs; Frank Rominger; Andrew Beeby; Andreas Dreuw; Uwe H. F. Bunz","Twisted Tethered Tolanes: Unanticipated Long-Lived Phosphorescence at 77 K","Journal of the American Chemical Society","2013","135","","2160","2163","10.1021/ja400416r","","","0.71073","MoKα","","0.1056","0.0893","","","0.2455","0.2626","","","","","","1.019","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119349","13.52737","0.00015","17.6421","0.0002","18.1903","0.0002","90","","99.5309","0.0011","90","","4281.21","0.08","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H54 Cl2 N6 O2 Pt S2 -","- C39 H54 Cl2 N6 O2 Pt S2 -","- C156 H216 Cl8 N24 O8 Pt4 S8 -","4","1","","Grazia Cafeo; Grazia Carbotti; Angela Cuzzola; Marina Fabbi; Silvano Ferrini; Franz H. Kohnke; Georgia Papanikolaou; Maria Rosaria Plutino; Camillo Rosano; Andrew J. P. White","Drug Delivery with a Calixpyrrole-trans-Pt(II) Complex","Journal of the American Chemical Society","2013","135","","2544","2551","10.1021/ja307791j","","","1.54184","CuKα","","0.0413","0.0361","","","0.1077","0.1109","","","","","","1.061","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119350","26.8277","0.0005","37.9763","0.0016","22.2878","0.0005","90","","94.23","0.002","90","","22645.3","1.2","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C232 H278 Cl4 F24 Fe4 N38 O42 S8 -","- C144 H108 Cl Fe4 N24 O4 -","- C576 H432 Cl4 Fe16 N96 O16 -","4","0.5","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","1.54184","CuKα","","0.1309","0.1003","","","0.2694","0.2956","","","","","","0.991","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119351","26.8643","0.0006","37.9527","0.0014","22.2933","0.0004","90","","94.065","0.002","90","","22672.5","1.1","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C232 H278 B4 F40 Fe4 N42 O26 S8 -","- C144 H108 B F4 Fe4 N24 -","- C576 H432 B4 F16 Fe16 N96 -","4","0.5","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","1.54184","CuKα","","0.1249","0.107","","","0.306","0.3233","","","","","","1.212","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119352","43.1549","0.0006","43.1549","0.0006","54.1365","0.0011","90","","90","","90","","100821","3","120","2","120","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C472 H505 Cl20 Fe10 N75 O89 -","- C394 H336 Cl12.5 Fe10 N62 O46 -","- C3152 H2688 Cl100 Fe80 N496 O368 -","8","1","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","1.5418","CuKα","","0.1651","0.1035","","","0.2491","0.2918","","","","","","0.931","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119353","20.456","0.003","27.508","0.003","40.763","0.005","88.663","0.005","86.592","0.003","87.672","0.006","22873","5","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C480 H525 B19 Cl Co10 F76 N65 O15 -","- C390 H330 B7 Cl Co10 F28 N60 -","- C780 H660 B14 Cl2 Co20 F56 N120 -","2","1","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.71073","MoKα","","0.2153","0.148","","","0.3536","0.3959","","","","","","1.181","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119354","24.581","0.005","24.581","0.005","41.33","0.011","90","","90","","120","","21627","8","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C200.5 H210.75 F24 N30.25 Ni4 O30 S8 -","- C176.5 H150.75 F23.9998 N30.25 Ni4 O23.9998 S7.99995 -","- C706 H603 F95.9994 N121 Ni16 O95.9994 S31.9998 -","4","0.333333","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.6889","synchrotron","","0.1009","0.0989","","","0.2713","0.274","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119355","21.912","0.0002","21.912","0.0002","54.056","0.0009","90","","90","","120","","22477","0.5","120","2","120","2","","","","","","","","7","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C272 H284 F36 N40 Ni6 O42 S12 -","- C219 H176 F33 N32 Ni6 O33 S11 -","- C657 H528 F99 N96 Ni18 O99 S33 -","3","0.25","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.71073","MoKα","","0.1258","0.1208","","","0.3155","0.3205","","","","","","1.104","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119356","21.568","0.008","30.857","0.011","34.26","0.012","90","","97.353","0.006","90","","22613","14","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C430 H422 Cl20 N64 Ni10 O84 -","- C398 H342 Cl15 N64 Ni10 O56 -","- C796 H684 Cl30 N128 Ni20 O112 -","2","0.5","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","1.54187","CuKα","","0.2399","0.1497","","","0.3666","0.4101","","","","","","0.957","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119357","35.73","0.0017","29.1212","0.0015","41.6634","0.0019","90","","93.174","0.002","90","","43284","4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C420 H400 Cl20 N70 Ni10 O86 -","- C360 H270 Cl12 N60 Ni10 O44 -","- C1440 H1080 Cl48 N240 Ni40 O176 -","4","0.5","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.71073","MoKα","","0.1943","0.1477","","","0.3702","0.3952","","","","","","1.334","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119358","20.554","0.008","20.554","0.008","40.27","0.02","90","","90","","90","","17013","13","100","2","100","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C332 H308 N68 Ni8 O52 -","- C312 H264 N52 Ni8 O12 -","- C624 H528 N104 Ni16 O24 -","2","0.25","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.6889","synchrotron","","0.1612","0.1425","","","0.3646","0.3816","","","","","","1.372","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119359","26.419","0.004","26.419","0.004","21.487","0.004","90","","90","","120","","12988","4","180","2","180","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C29 H34 N6 O9 Zn -","- C26 H22 N6 O6 Zn -","- C468 H396 N108 O108 Zn18 -","18","0.5","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.71073","MoKα","","0.1593","0.1377","","","0.3237","0.3421","","","","","","0.952","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119360","10.959","0.003","5.4585","0.0017","9.588","0.003","90","","95.985","0.004","90","","570.4","0.3","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H9 B K N -","- C2 H9 B K N -","- C8 H36 B4 K4 N4 -","4","1","","David J. Wolstenholme; Jenna Flogeras; Franklin N. Che; Andreas Decken; G. Sean McGrady","Homopolar Dihydrogen Bonding in Alkali Metal Amidoboranes: Crystal Engineering of Low-Dimensional Molecular Materials","Journal of the American Chemical Society","2013","135","","2439","2442","10.1021/ja311778k","","x-ray","0.71073","MoKα","","0.0519","0.0342","","","0.0981","0.1049","","","","","","1.228","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119361","10.541","0.003","10.544","0.003","9.821","0.003","90","","107.11","0.004","90","","1043.2","0.5","188","1","188","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H18 B2 Li2 N2 -","- C4 H18 B2 Li2 N2 -","- C16 H72 B8 Li8 N8 -","4","1","","David J. Wolstenholme; Jenna Flogeras; Franklin N. Che; Andreas Decken; G. Sean McGrady","Homopolar Dihydrogen Bonding in Alkali Metal Amidoboranes: Crystal Engineering of Low-Dimensional Molecular Materials","Journal of the American Chemical Society","2013","135","","2439","2442","10.1021/ja311778k","","x-ray","0.71073","MoKα","","0.1159","0.0492","","","0.1088","0.1484","","","","","","1.037","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119362","11.784","0.001","24.717","0.001","11.651","0.002","90","","90","","90","","3393.5","0.7","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Gd60 Ru9.84 Sn61.08 -","- Gd60 Ru9.84 Sn61.08 -","- Gd60 Ru9.84 Sn61.08 -","1","0.125","","Devin C. Schmitt; Neel Haldolaarachchige; Joseph Prestigiacomo; Amar Karki; David P. Young; Shane Stadler; Rongying Jin; Julia Y. Chan","Structural Complexity Meets Transport and Magnetic Anisotropy in Single Crystalline Ln30Ru4Sn31 (Ln = Gd, Dy)","Journal of the American Chemical Society","2013","135","","2748","2758","10.1021/ja311779t","","","0.71073","MoKα","","0.0395","0.0288","","","0.0605","0.0628","","","","","","1.287","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119363","11.696","0.001","24.505","0.001","11.578","0.002","90","","90","","90","","3318.4","0.7","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Ru12 Sn58.94 Tb60 -","- Ru12 Sn58.94 Tb60 -","- Ru12 Sn58.94 Tb60 -","1","0.125","","Devin C. Schmitt; Neel Haldolaarachchige; Joseph Prestigiacomo; Amar Karki; David P. Young; Shane Stadler; Rongying Jin; Julia Y. Chan","Structural Complexity Meets Transport and Magnetic Anisotropy in Single Crystalline Ln30Ru4Sn31 (Ln = Gd, Dy)","Journal of the American Chemical Society","2013","135","","2748","2758","10.1021/ja311779t","","","0.71073","MoKα","","0.0299","0.023","","","0.0436","0.0448","","","","","","1.29","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119364","11.659","0.001","24.457","0.001","11.564","0.002","90","","90","","90","","3297.4","0.7","296","2","296","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Dy60 Ru9.14 Sn61.43 -","- Dy60 Ru9.136 Sn61.432 -","- Dy60 Ru9.136 Sn61.432 -","1","0.125","","Devin C. Schmitt; Neel Haldolaarachchige; Joseph Prestigiacomo; Amar Karki; David P. Young; Shane Stadler; Rongying Jin; Julia Y. Chan","Structural Complexity Meets Transport and Magnetic Anisotropy in Single Crystalline Ln30Ru4Sn31 (Ln = Gd, Dy)","Journal of the American Chemical Society","2013","135","","2748","2758","10.1021/ja311779t","","","0.71073","MoKα","","0.0465","0.0291","","","0.0539","0.0577","","","","","","1.101","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119365","12.633","0.005","21.77","0.008","7.743","0.007","90","","96.218","0.002","90","","2117","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cesium Plutonium(IV)hexamolybdate","","","- Cs Mo6 O25 Pu3 -","- Cs Mo6 O25 Pu3 -","- Cs4 Mo24 O100 Pu12 -","4","0.5","","Justin N. Cross; Patrick M. Duncan; Eric M. Villa; Matthew J. Polinski; Jean-Marie Babo; Evgeny V. Alekseev; Corwin H. Booth; Thomas E. Albrecht-Schmitt","From Yellow to Black: Dramatic Changes between Cerium(IV) and Plutonium(IV) Molybdates","Journal of the American Chemical Society","2013","135","","2769","2775","10.1021/ja311910h","","","0.71073","MoKα","","0.0625","0.0416","","","0.0835","0.0889","","","","","","1.022","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119366","12.7337","0.0007","22.1309","0.0016","7.8392","0.0004","90","","96.591","0.004","90","","2194.6","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cerium hexamolybdate hydrate","","","- Ce3 H Mo6 O28 -","- Ce3 Mo6 O28 -","- Ce12 Mo24 O112 -","4","0.5","","Justin N. Cross; Patrick M. Duncan; Eric M. Villa; Matthew J. Polinski; Jean-Marie Babo; Evgeny V. Alekseev; Corwin H. Booth; Thomas E. Albrecht-Schmitt","From Yellow to Black: Dramatic Changes between Cerium(IV) and Plutonium(IV) Molybdates","Journal of the American Chemical Society","2013","135","","2769","2775","10.1021/ja311910h","","","0.71073","MoKα","","0.0632","0.0403","","","0.0845","0.093","","","","","","1.171","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119367","7.9616","0.0002","17.3191","0.0004","17.5815","0.0012","68.476","0.005","88.094","0.006","89.144","0.006","2253.96","0.19","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N O4 -","- C27 H29 N O4 -","- C108 H116 N4 O16 -","4","2","","Michael A. Ischay; Michael K. Takase; Robert G. Bergman; Jonathan A. Ellman","Unstabilized Azomethine Ylides for the Stereoselective Synthesis of Substituted Piperidines, Tropanes, and Azabicyclo[3.1.0] Systems","Journal of the American Chemical Society","2013","135","","2478","2481","10.1021/ja312311k","","","1.54187","CuKα","","0.0787","0.0684","","","0.1833","0.1884","","","","","","1.076","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119368","9.4433","0.0006","18.5757","0.0012","10.1997","0.0007","90","","95.268","0.007","90","","1781.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cl N -","- C21 H26 Cl N -","- C84 H104 Cl4 N4 -","4","1","","Michael A. Ischay; Michael K. Takase; Robert G. Bergman; Jonathan A. Ellman","Unstabilized Azomethine Ylides for the Stereoselective Synthesis of Substituted Piperidines, Tropanes, and Azabicyclo[3.1.0] Systems","Journal of the American Chemical Society","2013","135","","2478","2481","10.1021/ja312311k","","","0.71075","MoKα","","0.0394","0.036","","","0.0926","0.0947","","","","","","1.052","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119369","22.7381","0.0016","14.1039","0.0003","11.6051","0.0002","90","","90","","90","","3721.7","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H26 Cl N -","- C21 H26 Cl N -","- C168 H208 Cl8 N8 -","8","1","","Michael A. Ischay; Michael K. Takase; Robert G. Bergman; Jonathan A. Ellman","Unstabilized Azomethine Ylides for the Stereoselective Synthesis of Substituted Piperidines, Tropanes, and Azabicyclo[3.1.0] Systems","Journal of the American Chemical Society","2013","135","","2478","2481","10.1021/ja312311k","","","0.71075","MoKα","","0.0621","0.045","","","0.1078","0.115","","","","","","1.081","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119370","6.5589","0.0003","15.8671","0.0006","20.7298","0.0008","90","","90","","90","","2157.37","0.15","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 N2 O3 S -","- C23 H26 N2 O3 S -","- C92 H104 N8 O12 S4 -","4","1","","Barry M. Trost; Tom M. Lam; Melissa A. Herbage","Regio- and Enantioselective Synthesis of Pyrrolidines Bearing a Quaternary Center by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethanes","Journal of the American Chemical Society","2013","135","","2459","2461","10.1021/ja312351s","","","1.54184","CuKα","","0.0279","0.0265","","","0.0722","0.0725","","","","","","1.049","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119371","12.4129","0.0004","17.3342","0.0006","26.3774","0.0008","90.882","0.002","95.194","0.002","90.489","0.002","5651.3","0.3","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C99.38 H106.07 F30 N8.69 O10 P5 S4 -","- C99.38 H106.07 F29.994 N8.69 O10 P4.999 S4 -","- C198.76 H212.14 F59.988 N17.38 O20 P9.998 S8 -","2","1","","Gokhan Barin; Marco Frasconi; Scott M. Dyar; Julien Iehl; Onur Buyukcakir; Amy A. Sarjeant; Raanan Carmieli; Ali Coskun; Michael R. Wasielewski; J. Fraser Stoddart","Redox-Controlled Selective Docking in a [2]Catenane Host","Journal of the American Chemical Society","2013","135","","2466","2469","10.1021/ja3125004","","","1.54184","CuKα","","0.1476","0.121","","","0.3627","0.379","","","","","","1.472","","","","has coordinates,has disorder,has Fobs","178964","2020-10-21","18:00:00",""
"4119372","19.0012","0.0006","11.2967","0.0004","13.7427","0.0005","90","","90","","90","","2949.88","0.18","100","2","100.01","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52.8 H51.2 F12 N4 O0.8 P2 -","- C52.8 H51.2 F12 N4 O0.8 P2 -","- C105.6 H102.4 F24 N8 O1.6 P4 -","2","0.5","","Gokhan Barin; Marco Frasconi; Scott M. Dyar; Julien Iehl; Onur Buyukcakir; Amy A. Sarjeant; Raanan Carmieli; Ali Coskun; Michael R. Wasielewski; J. Fraser Stoddart","Redox-Controlled Selective Docking in a [2]Catenane Host","Journal of the American Chemical Society","2013","135","","2466","2469","10.1021/ja3125004","","","1.54184","CUKα","","0.0775","0.053","","","0.1193","0.1272","","","","","","0.899","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119373","9.0851","0.0018","19.077","0.004","11.883","0.002","90","","102.82","0.03","90","","2008.2","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O3 -","- C22 H27 N O3 -","- C88 H108 N4 O12 -","4","1","","Jonas S. Laursen; Jens Engel-Andreasen; Peter Fristrup; Pernille Harris; Christian A. Olsen","Cis-Trans Amide Bond Rotamers in β-Peptoids and Peptoids: Evaluation of Stereoelectronic Effects in Backbone and Side Chains","Journal of the American Chemical Society","2013","135","","2835","2844","10.1021/ja312532x","","","0.71073","MoKα","","0.0848","0.0511","","","0.1023","0.1235","","","","","","1.038","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119374","11.3472","0.0003","16.1304","0.0005","11.5066","0.0003","90","","110.156","0.0006","90","","1977.13","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 F3 N2 O3 -","- C21 H23 F3 N2 O3 -","- C84 H92 F12 N8 O12 -","4","2","","Jonas S. Laursen; Jens Engel-Andreasen; Peter Fristrup; Pernille Harris; Christian A. Olsen","Cis-Trans Amide Bond Rotamers in β-Peptoids and Peptoids: Evaluation of Stereoelectronic Effects in Backbone and Side Chains","Journal of the American Chemical Society","2013","135","","2835","2844","10.1021/ja312532x","","","0.71073","MoKα","","0.0521","0.0388","","","0.0823","0.0948","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119375","10.162","0.002","10.857","0.002","17.358","0.004","90","","90","","90","","1915.1","0.7","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O S -","- C21 H26 N2 O S -","- C84 H104 N8 O4 S4 -","4","1","","Jonas S. Laursen; Jens Engel-Andreasen; Peter Fristrup; Pernille Harris; Christian A. Olsen","Cis-Trans Amide Bond Rotamers in β-Peptoids and Peptoids: Evaluation of Stereoelectronic Effects in Backbone and Side Chains","Journal of the American Chemical Society","2013","135","","2835","2844","10.1021/ja312532x","","","0.71073","MoKα","","0.0566","0.0494","","","0.1391","0.1587","","","","","","1.017","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119376","24.04","0.008","27.149","0.01","22.396","0.008","90","","121.465","0.004","90","","12468","8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C112 H152 As4 Cl8 Ga2 N8 O -","- C112 H152 As4 Cl8 Ga2 N8 O -","- C448 H608 As16 Cl32 Ga8 N32 O4 -","4","0.5","","Mariham Y. Abraham; Yuzhong Wang; Yaoming Xie; Robert J. Gilliard; Pingrong Wei; Brian J. Vaccaro; Michael K. Johnson; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Oxidation of Carbene-Stabilized Diarsenic: Diarsene Dications and Diarsenic Radical Cations","Journal of the American Chemical Society","2013","135","","2486","2488","10.1021/ja400219d","","","0.71073","MoKα","","0.0804","0.0549","","","0.1643","0.1872","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119377","15.2173","0.001","18.324","0.0012","13.9424","0.0009","90","","115.953","0.001","90","","3495.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H78 As2 Cl8 Ga2 N6 -","- C58 H78 As2 Cl8 Ga2 N6 -","- C116 H156 As4 Cl16 Ga4 N12 -","2","0.5","","Mariham Y. Abraham; Yuzhong Wang; Yaoming Xie; Robert J. Gilliard; Pingrong Wei; Brian J. Vaccaro; Michael K. Johnson; Henry F. Schaefer; Paul v. R. Schleyer; Gregory H. Robinson","Oxidation of Carbene-Stabilized Diarsenic: Diarsene Dications and Diarsenic Radical Cations","Journal of the American Chemical Society","2013","135","","2486","2488","10.1021/ja400219d","","","0.71073","MoKα","","0.0534","0.0385","","","0.095","0.1045","","","","","","1.011","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119378","12.801","0.005","15.247","0.005","18.462","0.008","90","","100.959","0.006","90","","3538","2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 P3 Pd Si -","- C40 H41 P3 Pd Si -","- C160 H164 P12 Pd4 Si4 -","4","1","","Naohiro Kirai; Jun Takaya; Nobuharu Iwasawa","Two Reversible σ-Bond Metathesis Pathways for Boron-Palladium Bond Formation: Selective Synthesis of Isomeric Five-Coordinate Borylpalladium Complexes","Journal of the American Chemical Society","2013","135","","2493","2496","10.1021/ja400294m","","","0.71075","MoKα","","0.1218","0.0594","","","0.1213","0.1512","","","","","","0.937","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119379","14.434","0.003","17.568","0.003","19.135","0.004","90","","95.823","0.004","90","","4827.1","1.6","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H64 B O2 P3 Pd Si -","- C51 H64 B O2 P3 Pd Si -","- C204 H256 B4 O8 P12 Pd4 Si4 -","4","1","","Naohiro Kirai; Jun Takaya; Nobuharu Iwasawa","Two Reversible σ-Bond Metathesis Pathways for Boron-Palladium Bond Formation: Selective Synthesis of Isomeric Five-Coordinate Borylpalladium Complexes","Journal of the American Chemical Society","2013","135","","2493","2496","10.1021/ja400294m","","","0.71073","MoKα","","0.1184","0.0583","","","0.1195","0.1604","","","","","","0.94","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119380","24.922","0.003","13.0423","0.0012","34.076","0.004","90","","100.461","0.0017","90","","10892","2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H58 B O3 P3 Pd Si -","- C63 H58 B O2.5 P3 Pd Si -","- C504 H464 B8 O20 P24 Pd8 Si8 -","8","1","","Naohiro Kirai; Jun Takaya; Nobuharu Iwasawa","Two Reversible σ-Bond Metathesis Pathways for Boron-Palladium Bond Formation: Selective Synthesis of Isomeric Five-Coordinate Borylpalladium Complexes","Journal of the American Chemical Society","2013","135","","2493","2496","10.1021/ja400294m","","","0.71075","MoKα","","0.0621","0.0532","","","0.1234","0.1301","","","","","","1.123","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119381","18.318","0.004","11.536","0.002","21.045","0.005","90","","95.183","0.004","90","","4429","1.6","123","2","123","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C49 H52 B O2 P3 Pd Si -","- C49 H52 B O2 P3 Pd Si -","- C196 H208 B4 O8 P12 Pd4 Si4 -","4","1","","Naohiro Kirai; Jun Takaya; Nobuharu Iwasawa","Two Reversible σ-Bond Metathesis Pathways for Boron-Palladium Bond Formation: Selective Synthesis of Isomeric Five-Coordinate Borylpalladium Complexes","Journal of the American Chemical Society","2013","135","","2493","2496","10.1021/ja400294m","","","0.71073","MoKα","","0.1602","0.0706","","","0.1296","0.1625","","","","","","0.945","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119382","12.084","0.006","17.047","0.008","12.463","0.006","90","","92.255","0.01","90","","2565","2","123","2","123","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C61 H58 B O2 P3 Pd Si -","- C61 H58 B O2 P3 Pd Si -","- C122 H116 B2 O4 P6 Pd2 Si2 -","2","1","","Naohiro Kirai; Jun Takaya; Nobuharu Iwasawa","Two Reversible σ-Bond Metathesis Pathways for Boron-Palladium Bond Formation: Selective Synthesis of Isomeric Five-Coordinate Borylpalladium Complexes","Journal of the American Chemical Society","2013","135","","2493","2496","10.1021/ja400294m","","","0.71073","MoKα","","0.1624","0.0963","","","0.2185","0.2625","","","","","","0.995","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119383","8.5973","0.001","7.263","0.001","13.3032","0.0016","90","","91.863","0.009","90","","830.24","0.18","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C38 H52 O4 -","2","1","","Grace E. Ferris; Kai Hong; Ian A. Roundtree; James P. Morken","A Catalytic Enantioselective Tandem Allylation Strategy for Rapid Terpene Construction: Application to the Synthesis of Pumilaside Aglycon","Journal of the American Chemical Society","2013","135","","2501","2504","10.1021/ja400506j","","","1.54178","CuKα","","0.0561","0.0473","","","0.1116","0.1159","","","","","","1.08","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119384","14.6441","0.0014","6.9021","0.0007","16.9049","0.0016","90","","106.762","0.004","90","","1636.1","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","2","","Grace E. Ferris; Kai Hong; Ian A. Roundtree; James P. Morken","A Catalytic Enantioselective Tandem Allylation Strategy for Rapid Terpene Construction: Application to the Synthesis of Pumilaside Aglycon","Journal of the American Chemical Society","2013","135","","2501","2504","10.1021/ja400506j","","","1.54178","CuKα","","0.0347","0.0337","","","0.0878","0.0888","","","","","","1.027","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119385","7.9329","0.0003","7.1935","0.0003","10.3786","0.0004","90","","90.391","0.001","90","","592.24","0.04","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O2 -","- C13 H22 O2 -","- C26 H44 O4 -","2","1","","Grace E. Ferris; Kai Hong; Ian A. Roundtree; James P. Morken","A Catalytic Enantioselective Tandem Allylation Strategy for Rapid Terpene Construction: Application to the Synthesis of Pumilaside Aglycon","Journal of the American Chemical Society","2013","135","","2501","2504","10.1021/ja400506j","","","1.54178","CuKα","","0.0299","0.0296","","","0.0792","0.0793","","","","","","1.048","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119386","6.7212","0.0006","7.0056","0.0007","15.1193","0.0014","90","","93.239","0.004","90","","710.77","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C30 H52 O4 -","2","1","","Grace E. Ferris; Kai Hong; Ian A. Roundtree; James P. Morken","A Catalytic Enantioselective Tandem Allylation Strategy for Rapid Terpene Construction: Application to the Synthesis of Pumilaside Aglycon","Journal of the American Chemical Society","2013","135","","2501","2504","10.1021/ja400506j","","","1.54178","CuKα","","0.0314","0.0312","","","0.0827","0.0829","","","","","","1.085","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119387","9.874","0.005","9.874","0.005","32.962","0.005","90","","90","","120","","2783","2","100","1","100","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 N4 Ni O4 -","- C12 H30 Cl2 N4 Ni O4 -","- C72 H180 Cl12 N24 Ni6 O24 -","6","0.333333","","Renaud Ruamps; Rémi Maurice; Luke Batchelor; Martial Boggio-Pasqua; Régis Guillot; Anne Laure Barra; Junjie Liu; El-Eulmi Bendeif; Sébastien Pillet; Stephen Hill; Talal Mallah; Nathalie Guihéry","Giant Ising-Type Magnetic Anisotropy in Trigonal Bipyramidal Ni(II) Complexes: Experiment and Theory","Journal of the American Chemical Society","2013","135","","3017","3026","10.1021/ja308146e","","x-ray","0.71069","MoKα","","0.0377","0.0249","","","0.0561","0.0609","","","","","","1.023","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119388","9.8155","0.0004","9.8155","0.0004","32.752","0.002","90","","90","","120","","2732.7","0.2","10","2","10","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H30 Cl2 N4 Ni O4 -","- C12 H30 Cl2 N4 Ni O4 -","- C72 H180 Cl12 N24 Ni6 O24 -","6","0.333333","","Renaud Ruamps; Rémi Maurice; Luke Batchelor; Martial Boggio-Pasqua; Régis Guillot; Anne Laure Barra; Junjie Liu; El-Eulmi Bendeif; Sébastien Pillet; Stephen Hill; Talal Mallah; Nathalie Guihéry","Giant Ising-Type Magnetic Anisotropy in Trigonal Bipyramidal Ni(II) Complexes: Experiment and Theory","Journal of the American Chemical Society","2013","135","","3017","3026","10.1021/ja308146e","","","0.71073","MoKα","","0.0271","0.0222","","","0.0469","0.0502","","","","","","1.098","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119389","14.678","0.003","18.363","0.004","20.78","0.005","85.364","0.003","84.223","0.003","76.651","0.003","5412","2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Fe(II) Square with bptz and [BF4]-","tetrakis(3,6-bis(Pyrid-2-yl)-1,2,4,5-tetrazine-N,N',N'',N''')- octakis(acetonitrile-N)-tetrairon(II)-tetrafluoroborate clathrate heptakis(tetrafluoroborate)acetonitrile solvate","","- C64 H56 B8 F32 Fe4 N32 -","- C64 H56 B8 F32 Fe4 N32 -","- C128 H112 B16 F64 Fe8 N64 -","2","1","","Helen T. Chifotides; Ian D. Giles; Kim R. Dunbar","Supramolecular Architectures with π-Acidic 3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine Cavities: Role of Anion-π Interactions in the Remarkable Stability of Fe(II) Metallacycles in Solution","Journal of the American Chemical Society","2013","135","","3039","3055","10.1021/ja3082473","","x-ray","0.71073","MoKα","","0.1748","0.0971","","","0.2478","0.2813","","","","","","0.899","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119390","11.824","0.011","37.92","0.04","34.12","0.03","90","","90","","90","","15298","3","163","2","163","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","pentakis(3,6-bis(pyrid-2-yl)-1,2,4,5-tetrazine-N,N',N'',N''') -decakis(acetonitrile-N)-pentairon(II)bis hexafluoroantimonate(V) clathrate octakis(hexafluoroantimonate(V)) acetonitrile solvate","","- C80 H70 F60 Fe5 N40 Sb10 -","- C80 H70 F60 Fe5 N40 Sb10 -","- C320 H280 F240 Fe20 N160 Sb40 -","4","0.5","","Helen T. Chifotides; Ian D. Giles; Kim R. Dunbar","Supramolecular Architectures with π-Acidic 3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine Cavities: Role of Anion-π Interactions in the Remarkable Stability of Fe(II) Metallacycles in Solution","Journal of the American Chemical Society","2013","135","","3039","3055","10.1021/ja3082473","","x-ray","0.71073","MoKα","","0.2411","0.0857","","","0.1952","0.2404","","","","","","0.714","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119391","11.515","0.01","13.147","0.012","27.49","0.03","90","","91.924","0.013","90","","4159","7","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H40 N4 O4 -","- C54 H40 N4 O4 -","- C216 H160 N16 O16 -","4","1","","Sayaka Hatano; Takeru Horino; Atsuhiro Tokita; Toyoji Oshima; Jiro Abe","Unusual Negative Photochromism via a Short-Lived Imidazolyl Radical of 1,1'-Binaphthyl-Bridged Imidazole Dimer","Journal of the American Chemical Society","2013","135","","3164","3172","10.1021/ja311344u","","","0.71073","MoKα","","0.0578","0.0439","","","0.1122","0.1196","","","","","","1.075","","","","has coordinates,has disorder","178964","2020-10-21","18:00:00",""
"4119392","10.4714","0.0018","11.641","0.002","17.271","0.003","97.528","0.002","90.858","0.002","111.83","0.002","1932.8","0.6","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H39 N5 O4 -","- C48 H39 N5 O4 -","- C96 H78 N10 O8 -","2","1","","Sayaka Hatano; Takeru Horino; Atsuhiro Tokita; Toyoji Oshima; Jiro Abe","Unusual Negative Photochromism via a Short-Lived Imidazolyl Radical of 1,1'-Binaphthyl-Bridged Imidazole Dimer","Journal of the American Chemical Society","2013","135","","3164","3172","10.1021/ja311344u","","","0.71073","MoKα","","0.0387","0.0339","","","0.0802","0.0839","","","","","","1.008","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119393","10.6446","0.0005","15.2136","0.0006","12.9366","0.0006","90","","96.4527","0.0014","90","","2081.72","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 I O P Pd -","- C19 H32 I O P Pd -","- C76 H128 I4 O4 P4 Pd4 -","4","1","","Signe Korsager; Rolf H. Taaning; Troels Skrydstrup","Effective Palladium-Catalyzed Hydroxycarbonylation of Aryl Halides with Substoichiometric Carbon Monoxide","Journal of the American Chemical Society","2013","135","","2891","2894","10.1021/ja3114032","","","0.71073","MoKα","","0.0578","0.0331","","","0.0543","0.0587","","","","","","0.964","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119394","7.0399","0.0003","10.5694","0.0003","27.6019","0.0009","90","","90","","90","","2053.79","0.12","173.1","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H29 Br2 N O2 -","- C19 H29 Br2 N O2 -","- C76 H116 Br8 N4 O8 -","4","1","","Takuya Nishimura; Aditya K. Unni; Satoshi Yokoshima; Tohru Fukuyama","Total Syntheses of Lyconadins A-C","Journal of the American Chemical Society","2013","135","","3243","3247","10.1021/ja312065m","","","1.54187","CuKα","","","0.0416","","","","0.1263","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119395","7.6495","0.0014","9.4852","0.0018","24.586","0.004","90","","90","","90","","1783.9","0.6","223","","223","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Br3 N O2 -","- C14 H18 Br3 N O2 -","- C56 H72 Br12 N4 O8 -","4","1","","Kimberly T. Barrett; Scott J. Miller","Enantioselective Synthesis of Atropisomeric Benzamides through Peptide-Catalyzed Bromination","Journal of the American Chemical Society","2013","135","","2963","2966","10.1021/ja400082x","","","0.71075","MoKα","","","0.0462","","","","0.1059","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119396","8.8546","0.0003","17.3446","0.0008","7.9641","0.0004","90","","99.077","0.004","90","","1207.81","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F3 N O4 -","- C11 H10 F3 N O4 -","- C44 H40 F12 N4 O16 -","4","1","","Jian-Rong Gao; Hao Wu; Bin Xiang; Wu-Bin Yu; Liang Han; Yi-Xia Jia","Highly Enantioselective Construction of Trifluoromethylated All-Carbon Quaternary Stereocenters via Nickel-Catalyzed Friedel-Crafts Alkylation Reaction","Journal of the American Chemical Society","2013","135","","2983","2986","10.1021/ja400650m","","","0.71073","MoKα","","0.0598","0.0447","","","0.1008","0.1083","","","","","","1.058","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119397","10.5992","0.0007","14.6639","0.0006","21.9076","0.0009","90","","91.138","0.005","90","","3404.3","0.3","283","2","283","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H12 Br F3 N2 O2 -","- C17 H12 Br F3 N2 O2 -","- C136 H96 Br8 F24 N16 O16 -","8","4","","Jian-Rong Gao; Hao Wu; Bin Xiang; Wu-Bin Yu; Liang Han; Yi-Xia Jia","Highly Enantioselective Construction of Trifluoromethylated All-Carbon Quaternary Stereocenters via Nickel-Catalyzed Friedel-Crafts Alkylation Reaction","Journal of the American Chemical Society","2013","135","","2983","2986","10.1021/ja400650m","","","0.71073","MoKα","","0.1332","0.0593","","","0.1158","0.1516","","","","","","1.013","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119398","11.5077","0.0007","12.3057","0.0007","18.5852","0.0011","99.361","0.003","102.268","0.003","99.657","0.003","2481","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Dy Li O6 Si4 -","- C40 H78 Dy Li O6 Si4 -","- C80 H156 Dy2 Li2 O12 Si8 -","2","1","","Jennifer J. Le Roy; Matthew Jeletic; Serge I. Gorelsky; Ilia Korobkov; Liviu Ungur; Liviu F. Chibotaru; Muralee Murugesu","An Organometallic Building Block Approach To Produce a Multidecker 4f Single-Molecule Magnet","Journal of the American Chemical Society","2013","135","","3502","3510","10.1021/ja310642h","","","0.71073","MoKα","","0.0199","0.0177","","","0.0467","0.0478","","","","","","1.025","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119399","16.8867","0.0005","16.8867","0.0005","20.1512","0.0006","90","","90","","90","","5746.3","0.3","200","2","200","2","","","","","","","","4","I -4","I -4","82","","","","- C42 H72 Dy2 Si6 -","- C42 H72 Dy2 Si6 -","- C168 H288 Dy8 Si24 -","4","0.5","","Jennifer J. Le Roy; Matthew Jeletic; Serge I. Gorelsky; Ilia Korobkov; Liviu Ungur; Liviu F. Chibotaru; Muralee Murugesu","An Organometallic Building Block Approach To Produce a Multidecker 4f Single-Molecule Magnet","Journal of the American Chemical Society","2013","135","","3502","3510","10.1021/ja310642h","","","0.71073","MoKα","","0.0395","0.0324","","","0.0827","0.0881","","","","","","1.048","","","","has coordinates","178964","2020-10-21","18:00:00",""
"4119400","16.9774","0.0004","16.9774","0.0004","20.0097","0.0006","90","","90","","90","","5767.4","0.3","200","2","200","2","","","","","","","","4","I -4","I -4","82","","","","- C42 H72 Gd2 Si6 -","- C42 H72 Gd2 Si6 -","- C168 H288 Gd8 Si24 -","4","0.5","","Jennifer J. Le Roy; Matthew Jeletic; Serge I. Gorelsky; Ilia Korobkov; Liviu Ungur; Liviu F. Chibotaru; Muralee Murugesu","An Organometallic Building Block Approach To Produce a Multidecker 4f Single-Molecule Magnet","Journal of the American Chemical Society","2013","135","","3502","3510","10.1021/ja310642h","","","0.71073","MoKα","","0.0263","0.0256","","","0.0755","0.0761","","","","","","1.032","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119401","19.0597","0.0007","9.1733","0.0004","15.7972","0.001","90","","121.845","0.001","90","","2346.2","0.2","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C20 H23 F6 Fe N3 P2 -","- C20 H23 F6 Fe N3 P2 -","- C80 H92 F24 Fe4 N12 P8 -","4","1","","Erika R. Bartholomew; Emily C. Volpe; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Selective Extraction of N2 from Air by Diarylimine Iron Complexes","Journal of the American Chemical Society","2013","135","","3511","3527","10.1021/ja311021u","","","0.71073","MoKα","","0.0434","0.0364","","","0.0815","0.0858","","","","","","1.024","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119402","10.6916","0.0009","8.1275","0.0007","26.737","0.002","90","","100.653","0.004","90","","2283.3","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Cl F6 Fe N P2 -","- C20 H23 Cl F6 Fe N P2 -","- C80 H92 Cl4 F24 Fe4 N4 P8 -","4","1","","Erika R. Bartholomew; Emily C. Volpe; Peter T. Wolczanski; Emil B. Lobkovsky; Thomas R. Cundari","Selective Extraction of N2 from Air by Diarylimine Iron Complexes","Journal of the American Chemical Society","2013","135","","3511","3527","10.1021/ja311021u","","","0.71073","MoKα","","0.0528","0.037","","","0.0903","0.1004","","","","","","1.023","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119403","6.3709","0.0008","12.5855","0.0016","16.038","0.002","90","","90","","90","","1285.9","0.3","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cl N3 O -","- C13 H14 Cl N3 O -","- C52 H56 Cl4 N12 O4 -","4","1","","Bin Liu; Kang-Nan Li; Shi-Wei Luo; Jian-Zhou Huang; Huan Pang; Liu-Zhu Gong","Chiral Gold Complex-Catalyzed Hetero-Diels-Alder Reaction of Diazenes: Highly Enantioselective and General for Dienes","Journal of the American Chemical Society","2013","135","","3323","3326","10.1021/ja3110472","","","0.71073","MoKα","","0.0518","0.037","","","0.0738","0.0788","","","","","","1.072","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119404","5.437","0.0001","8.4944","0.0003","34.8951","0.001","90","","90","","90","","1611.6","0.08","290","2","290","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N3 O2 -","- C15 H20 Cl N3 O2 -","- C60 H80 Cl4 N12 O8 -","4","1","","Bin Liu; Kang-Nan Li; Shi-Wei Luo; Jian-Zhou Huang; Huan Pang; Liu-Zhu Gong","Chiral Gold Complex-Catalyzed Hetero-Diels-Alder Reaction of Diazenes: Highly Enantioselective and General for Dienes","Journal of the American Chemical Society","2013","135","","3323","3326","10.1021/ja3110472","","","1.54184","CuKα","","0.0417","0.0367","","","0.0915","0.0963","","","","","","1.057","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119405","10.79","0.0004","10.1646","0.0004","16.7717","0.0007","90","","105.078","0.002","90","","1776.13","0.12","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C68 H68 N20 O24 -","4","2","","Rohit Tiwari; Garrett C. Moraski; Viktor Krchňák; Patricia A. Miller; Mariangelli Colon-Martinez; Eliza Herrero; Allen G. Oliver; Marvin J. Miller","Thiolates Chemically Induce Redox Activation of BTZ043 and Related Potent Nitroaromatic Anti-Tuberculosis Agents","Journal of the American Chemical Society","2013","135","","3539","3549","10.1021/ja311058q","","","1.54184","CuKα","","0.0378","0.0354","","","0.0943","0.0961","","","","","","1.038","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119406","9.669","0.0001","8.0666","0.0001","20.783","0.0003","90","","90.604","0.001","90","","1620.9","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H18 N4 O6 -","- C16 H18 N4 O6 -","- C64 H72 N16 O24 -","4","2","","Rohit Tiwari; Garrett C. Moraski; Viktor Krchňák; Patricia A. Miller; Mariangelli Colon-Martinez; Eliza Herrero; Allen G. Oliver; Marvin J. Miller","Thiolates Chemically Induce Redox Activation of BTZ043 and Related Potent Nitroaromatic Anti-Tuberculosis Agents","Journal of the American Chemical Society","2013","135","","3539","3549","10.1021/ja311058q","","","1.54184","CuKα","","0.0406","0.0393","","","0.11","0.1116","","","","","","1.051","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119407","12.3748","0.0006","15.7804","0.0007","17.1069","0.0008","102.889","0.001","108.206","0.001","111.65","0.001","2724.4","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H69 Cl3 N2 O Ru S -","- C61 H69 Cl3 N2 O Ru S -","- C122 H138 Cl6 N4 O2 Ru2 S2 -","2","1","","Giovanni Occhipinti; Fredrik R. Hansen; Karl W. Törnroos; Vidar R. Jensen","Simple and Highly Z-Selective Ruthenium-Based Olefin Metathesis Catalyst","Journal of the American Chemical Society","2013","135","","3331","3334","10.1021/ja311505v","","","0.71073","MoKα","","0.0424","0.0399","","","0.1099","0.1121","","","","","","1.069","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119408","24.991","0.005","19.99","0.005","20.615","0.005","90","","118.485","0.019","90","","9052","4","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","(SiNN)Ir(H)(Bpin)2","","","- C35 H52 B2 Ir N2 O4 Si -","- C35 H52 B2 Ir N2 O4 Si -","- C280 H416 B16 Ir8 N16 O32 Si8 -","8","1","","Chun-I Lee; Jia Zhou; Oleg V. Ozerov","Catalytic Dehydrogenative Borylation of Terminal Alkynes by a SiNN Pincer Complex of Iridium","Journal of the American Chemical Society","2013","135","","3560","3566","10.1021/ja311682c","","","1.54178","CuKα","","0.0508","0.0345","","","0.0789","0.0829","","","","","","0.966","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119409","13.2159","0.0015","7.3532","0.0009","28.509","0.003","90","","99.135","0.006","90","","2735.3","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(SiNN)Ir(H)(COE)","","","- C31 H42 Ir N2 Si -","- C31 H42 Ir N2 Si -","- C124 H168 Ir4 N8 Si4 -","4","1","","Chun-I Lee; Jia Zhou; Oleg V. Ozerov","Catalytic Dehydrogenative Borylation of Terminal Alkynes by a SiNN Pincer Complex of Iridium","Journal of the American Chemical Society","2013","135","","3560","3566","10.1021/ja311682c","","","1.54178","CuKα","","0.0395","0.0301","","","0.0734","0.0804","","","","","","1.091","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119410","8.0513","0.0004","10.417","0.0006","19.4576","0.001","90","","90","","90","","1631.92","0.15","293","2","293","2","","","","","","","","4","P 21 1 1","P 2xa","4","","","","- C11 H10 N0 O2 -","- C9.14286 H16 N1.14286 O1.71429 -","- C64 H112 N8 O12 -","7","3.5","","Soham Maity; Srimanta Manna; Sujoy Rana; Togati Naveen; Arijit Mallick; Debabrata Maiti","Efficient and Stereoselective Nitration of Mono- and Disubstituted Olefins with AgNO2 and TEMPO","Journal of the American Chemical Society","2013","135","","3355","3358","10.1021/ja311942e","","","0.71073","MoKα","","0.0658","0.0532","","","0.1328","0.1451","","","","","","1.156","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119411","13.1343","0.0005","8.428","0.0004","22.6288","0.001","90","","95.78","0.002","90","","2492.18","0.19","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Cl2 N6 -","- C27 H22 Cl2 N6 -","- C108 H88 Cl8 N24 -","4","1","","Govindasamy Jayamurugan; Oliver Dumele; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Bruno Bernet; François Diederich","Expanding the Chemical Structure Space of Opto-Electronic Molecular Materials: Unprecedented Push-Pull Chromophores by Reaction of a Donor-Substituted Tetracyanofulvene with Electron-Rich Alkynes","Journal of the American Chemical Society","2013","135","","3599","3606","10.1021/ja312084s","","","0.71073","MoKα","","0.0716","0.0399","","","0.0928","0.1048","","","","","","1.111","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119412","16.0228","0.0011","16.8314","0.0011","17.8423","0.0011","80.594","0.002","81.1","0.003","80.25","0.002","4638.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36.33333 H31.33333 Cl N7 -","- C36.3333 H31.3333 Cl N7 -","- C218 H188 Cl6 N42 -","6","3","","Govindasamy Jayamurugan; Oliver Dumele; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Bruno Bernet; François Diederich","Expanding the Chemical Structure Space of Opto-Electronic Molecular Materials: Unprecedented Push-Pull Chromophores by Reaction of a Donor-Substituted Tetracyanofulvene with Electron-Rich Alkynes","Journal of the American Chemical Society","2013","135","","3599","3606","10.1021/ja312084s","","","0.71073","MoKα","","0.123","0.064","","","0.1553","0.1828","","","","","","1.121","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119413","10.6434","0.0006","13.6284","0.0008","14.488","0.0009","79.959","0.003","84.754","0.003","88.332","0.003","2060.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H44 Cl2 N8 -","- C47 H44 Cl2 N8 -","- C94 H88 Cl4 N16 -","2","1","","Govindasamy Jayamurugan; Oliver Dumele; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Bruno Bernet; François Diederich","Expanding the Chemical Structure Space of Opto-Electronic Molecular Materials: Unprecedented Push-Pull Chromophores by Reaction of a Donor-Substituted Tetracyanofulvene with Electron-Rich Alkynes","Journal of the American Chemical Society","2013","135","","3599","3606","10.1021/ja312084s","","","0.71073","MoKα","","0.0784","0.0466","","","0.1082","0.1184","","","","","","1.302","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119414","10.8943","0.0004","14.1475","0.0006","19.8825","0.0008","90","","103.698","0.002","90","","2977.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N7 -","- C36 H31 N7 -","- C144 H124 N28 -","4","1","","Govindasamy Jayamurugan; Oliver Dumele; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Bruno Bernet; François Diederich","Expanding the Chemical Structure Space of Opto-Electronic Molecular Materials: Unprecedented Push-Pull Chromophores by Reaction of a Donor-Substituted Tetracyanofulvene with Electron-Rich Alkynes","Journal of the American Chemical Society","2013","135","","3599","3606","10.1021/ja312084s","","","0.71073","MoKα","","0.0948","0.0494","","","0.1212","0.1471","","","","","","0.875","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119415","15.2956","0.0009","19.8622","0.001","19.6049","0.0009","90","","93.109","0.002","90","","5947.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C72 H72 N8 -","- C72 H72 N8 -","- C288 H288 N32 -","4","1","","Govindasamy Jayamurugan; Oliver Dumele; Jean-Paul Gisselbrecht; Corinne Boudon; W. Bernd Schweizer; Bruno Bernet; François Diederich","Expanding the Chemical Structure Space of Opto-Electronic Molecular Materials: Unprecedented Push-Pull Chromophores by Reaction of a Donor-Substituted Tetracyanofulvene with Electron-Rich Alkynes","Journal of the American Chemical Society","2013","135","","3599","3606","10.1021/ja312084s","","","0.71073","MoKα","","0.1604","0.0776","","","0.1832","0.2165","","","","","","1.172","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119416","9.7046","0.0012","10.8049","0.0013","14.9013","0.0018","72.033","0.002","72.101","0.002","72.389","0.002","1376.6","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 F3 N3 O5 -","- C28 H34 F3 N3 O5 -","- C56 H68 F6 N6 O10 -","2","1","","Junyong Jo; András Olasz; Chun-Hsing Chen; Dongwhan Lee","Interdigitated Hydrogen Bonds: Electrophile Activation for Covalent Capture and Fluorescence Turn-On Detection of Cyanide","Journal of the American Chemical Society","2013","135","","3620","3632","10.1021/ja312313f","","","0.71073","MoKα","","0.1084","0.0792","","0.2609","0.1977","0.2609","","","","","","0.9979","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119417","22.1316","0.0004","30.883","0.0006","45.3137","0.0009","90","","90","","90","","30971.5","1","153","","153","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C234 H449 N O72 Si14 -","- C234 H445 N O72 Si14 -","- C936 H1780 N4 O288 Si56 -","4","0.5","","Toshiyuki Kida; Takuya Iwamoto; Haruyasu Asahara; Tomoaki Hinoue; Mitsuru Akashi","Chiral Recognition and Kinetic Resolution of Aromatic Amines via Supramolecular Chiral Nanocapsules in Nonpolar Solvents","Journal of the American Chemical Society","2013","135","","3371","3374","10.1021/ja312367k","","","1.54187","CuKα","","","0.0991","","","","0.3106","","","","","","1.066","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119418","11.7211","0.0013","11.911","0.0013","20.406","0.002","77.712","0.001","74.321","0.001","67.388","0.001","2512.9","0.5","178","2","178","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H51 Fe2 O2 P4 S2 -","- C57 H51 Fe2 O2 P4 S2 -","- C114 H102 Fe4 O4 P8 S4 -","2","1","","Wenguang Wang; Mark J. Nilges; Thomas B. Rauchfuss; Matthias Stein","Isolation of a Mixed Valence Diiron Hydride: Evidence for a Spectator Hydride in Hydrogen Evolution Catalysis","Journal of the American Chemical Society","2013","135","","3633","3639","10.1021/ja312458f","","","0.71073","MoKα","","0.0525","0.0358","","","0.0751","0.0831","","","","","","1.017","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119419","5.2969","0.0002","5.2969","0.0002","12.839","0.0008","90","","90","","90","","360.23","0.03","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Co3 H2 O10 S2 -","- Co3 H2 O10 S2 -","- Co6 H4 O20 S4 -","2","0.0625","","Chinmayee V. Subban; Mohamed Ati; Gwenaëlle Rousse; Artem M. Abakumov; Gustaaf Van Tendeloo; Raphaël Janot; Jean-Marie Tarascon","Preparation, Structure, and Electrochemistry of Layered Polyanionic Hydroxysulfates: LiMSO4OH (M = Fe, Co, Mn) Electrodes for Li-Ion Batteries","Journal of the American Chemical Society","2013","135","","3653","3661","10.1021/ja3125492","powder diffraction","","","x-ray","","","","","","","","","9.1957","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4119420","5.293","0.0003","5.293","0.0003","13.0851","0.0011","90","","90","","90","","366.59","0.04","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- Fe3 H2 O10 S2 -","- Fe3 H2 O10 S2 -","- Fe6 H4 O20 S4 -","2","0.0625","","Chinmayee V. Subban; Mohamed Ati; Gwenaëlle Rousse; Artem M. Abakumov; Gustaaf Van Tendeloo; Raphaël Janot; Jean-Marie Tarascon","Preparation, Structure, and Electrochemistry of Layered Polyanionic Hydroxysulfates: LiMSO4OH (M = Fe, Co, Mn) Electrodes for Li-Ion Batteries","Journal of the American Chemical Society","2013","135","","3653","3661","10.1021/ja3125492","powder diffraction","","","x-ray","","","","","","","","","74.9612","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"4119421","9.58423","0.00008","5.42606","0.00004","7.32399","0.00006","90","","109.7","0.0006","90","","358.588","0.005","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Co H Li O5 S -","- Co H Li O5 S -","- Co4 H4 Li4 O20 S4 -","4","1","","Chinmayee V. Subban; Mohamed Ati; Gwenaëlle Rousse; Artem M. Abakumov; Gustaaf Van Tendeloo; Raphaël Janot; Jean-Marie Tarascon","Preparation, Structure, and Electrochemistry of Layered Polyanionic Hydroxysulfates: LiMSO4OH (M = Fe, Co, Mn) Electrodes for Li-Ion Batteries","Journal of the American Chemical Society","2013","135","","3653","3661","10.1021/ja3125492","powder diffraction","","","x-ray","","","","","","","","","3.5304","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119422","9.51472","0.00008","5.5087","0.00004","7.37548","0.00006","90","","109.109","0.0006","90","","365.276","0.005","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Fe H Li O5 S -","- Fe H Li O5 S -","- Fe4 H4 Li4 O20 S4 -","4","1","","Chinmayee V. Subban; Mohamed Ati; Gwenaëlle Rousse; Artem M. Abakumov; Gustaaf Van Tendeloo; Raphaël Janot; Jean-Marie Tarascon","Preparation, Structure, and Electrochemistry of Layered Polyanionic Hydroxysulfates: LiMSO4OH (M = Fe, Co, Mn) Electrodes for Li-Ion Batteries","Journal of the American Chemical Society","2013","135","","3653","3661","10.1021/ja3125492","powder diffraction","neutron","1.59422","ConstantWavelengthNeutronDiffraction","","","","","","","","","1.2778","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119423","9.61558","0.00014","5.55861","0.00008","7.54648","0.0001","90","","109.505","0.0011","90","","380.207","0.01","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H Li Mn O5 S -","- H Li Mn O5 S -","- H4 Li4 Mn4 O20 S4 -","4","1","","Chinmayee V. Subban; Mohamed Ati; Gwenaëlle Rousse; Artem M. Abakumov; Gustaaf Van Tendeloo; Raphaël Janot; Jean-Marie Tarascon","Preparation, Structure, and Electrochemistry of Layered Polyanionic Hydroxysulfates: LiMSO4OH (M = Fe, Co, Mn) Electrodes for Li-Ion Batteries","Journal of the American Chemical Society","2013","135","","3653","3661","10.1021/ja3125492","powder diffraction","neutron","1.59422","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.1509","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119424","13.898","0.005","32.238","0.017","8.756","0.004","90","","127.814","0.019","90","","3099","3","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H30 B N S -","- C31 H30 B N S -","- C124 H120 B4 N4 S4 -","4","1","","Ying-Li Rao; Hazem Amarne; Leanne D. Chen; Matthew L. Brown; Nicholas J. Mosey; Suning Wang","Photo- and Thermal-Induced Multistructural Transformation of 2-Phenylazolyl Chelate Boron Compounds","Journal of the American Chemical Society","2013","135","","3407","3410","10.1021/ja400917r","","","0.71073","MoKα","","0.1171","0.071","","","0.1597","0.1777","","","","","","0.927","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119425","8.6","0.0012","10.6067","0.0015","14.2","0.002","87.273","0.002","83.391","0.002","75.733","0.002","1246.8","0.3","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H30 B N S -","- C31 H30 B N S -","- C62 H60 B2 N2 S2 -","2","1","","Ying-Li Rao; Hazem Amarne; Leanne D. Chen; Matthew L. Brown; Nicholas J. Mosey; Suning Wang","Photo- and Thermal-Induced Multistructural Transformation of 2-Phenylazolyl Chelate Boron Compounds","Journal of the American Chemical Society","2013","135","","3407","3410","10.1021/ja400917r","","","0.71073","MoKα","","0.0917","0.0528","","","0.124","0.1426","","","","","","1.034","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119426","17.753","0.004","7.8595","0.0012","16.398","0.002","90","","93.213","0.011","90","","2284.4","0.7","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 B N S -","- C28 H30 B N S -","- C112 H120 B4 N4 S4 -","4","1","","Ying-Li Rao; Hazem Amarne; Leanne D. Chen; Matthew L. Brown; Nicholas J. Mosey; Suning Wang","Photo- and Thermal-Induced Multistructural Transformation of 2-Phenylazolyl Chelate Boron Compounds","Journal of the American Chemical Society","2013","135","","3407","3410","10.1021/ja400917r","","","0.71073","MoKα","","0.1441","0.077","","","0.1807","0.2195","","","","","","1.006","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119427","8.2008","0.0007","9.0915","0.0006","32.588","0.002","90","","90","","90","","2429.7","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 B N O -","- C31 H30 B N O -","- C124 H120 B4 N4 O4 -","4","1","","Ying-Li Rao; Hazem Amarne; Leanne D. Chen; Matthew L. Brown; Nicholas J. Mosey; Suning Wang","Photo- and Thermal-Induced Multistructural Transformation of 2-Phenylazolyl Chelate Boron Compounds","Journal of the American Chemical Society","2013","135","","3407","3410","10.1021/ja400917r","","","0.71073","MoKα","","0.2027","0.087","","","0.1956","0.2518","","","","","","0.997","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119428","19.6929","0.0009","12.2836","0.0006","24.709","0.0011","90","","90","","90","","5977.1","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H34 B Cl4 N6 O3 V -","- C26 H34 B Cl4 N6 O3 V -","- C208 H272 B8 Cl32 N48 O24 V8 -","8","1","","Oscar Tutusaus; Chengbao Ni; Nathaniel K. Szymczak","A Transition Metal Lewis Acid/Base Triad System for Cooperative Substrate Binding","Journal of the American Chemical Society","2013","135","","3403","3406","10.1021/ja400962h","","","1.54178","Cu-Kα","","0.0505","0.0342","","","0.0774","0.0835","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119429","9.9622","0.0002","13.7898","0.0003","12.3782","0.0009","90","","90.201","0.006","90","","1700.47","0.13","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl3 N3 V -","- C17 H15 Cl3 N3 V -","- C68 H60 Cl12 N12 V4 -","4","1","","Oscar Tutusaus; Chengbao Ni; Nathaniel K. Szymczak","A Transition Metal Lewis Acid/Base Triad System for Cooperative Substrate Binding","Journal of the American Chemical Society","2013","135","","3403","3406","10.1021/ja400962h","","","1.54178","CuKα","","0.0476","0.0468","","","0.131","0.1319","","","","","","1.088","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119430","16.0168","0.0015","15.2431","0.0013","14.3426","0.0013","90","","106.01","0.007","90","","3365.9","0.5","85","2","85","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 B Cl7 N4 O3 V -","- C27 H33 B Cl7 N4 O3 V -","- C108 H132 B4 Cl28 N16 O12 V4 -","4","1","","Oscar Tutusaus; Chengbao Ni; Nathaniel K. Szymczak","A Transition Metal Lewis Acid/Base Triad System for Cooperative Substrate Binding","Journal of the American Chemical Society","2013","135","","3403","3406","10.1021/ja400962h","","","1.54187","CuKα","","0.0608","0.0505","","","0.1164","0.1227","","","","","","1.064","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119431","11.033","0.002","18.799","0.004","19.225","0.004","110.795","0.002","101.385","0.003","97.09","0.003","3571.9","1.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H81 Al F24 O4 P -","- C61 H81 Al F24 O4 P -","- C122 H162 Al2 F48 O8 P2 -","2","1","","Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang","Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations","Journal of the American Chemical Society","2013","135","","3414","3417","10.1021/ja4012113","","","0.71073","MoKα","","0.1117","0.0562","","","0.1384","0.1472","","","","","","1.052","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119432","11.225","0.0013","12.0227","0.0017","28.2128","0.0012","90","","90.458","0.003","90","","3807.3","0.7","123","2","123","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C61 H69 Al F36 O4 P -","- C61 H69 Al F36 O4 P -","- C122 H138 Al2 F72 O8 P2 -","2","1","","Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang","Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations","Journal of the American Chemical Society","2013","135","","3414","3417","10.1021/ja4012113","","","0.71073","MoKα","","0.0906","0.0542","","","0.1367","0.1423","","","","","","1.032","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119433","14.1829","0.0011","15.8349","0.0015","16.8039","0.0017","115.01","0.002","108.115","0.003","94.478","0.002","3152.9","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H57 Al F36 O4 P -","- C55 H57 Al F36 O4 P -","- C110 H114 Al2 F72 O8 P2 -","2","1","","Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang","Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations","Journal of the American Chemical Society","2013","135","","3414","3417","10.1021/ja4012113","","","0.71073","MoKα","","0.0711","0.0589","","","0.1396","0.1425","","","","","","1.023","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119434","10.0401","0.0013","16.806","0.0015","21.5873","0.0014","90","","98.712","0.003","90","","3600.5","0.6","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C39 H57 P -","- C39 H57 P -","- C156 H228 P4 -","4","1","","Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang","Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations","Journal of the American Chemical Society","2013","135","","3414","3417","10.1021/ja4012113","","","0.71073","MoKα","","0.0747","0.0615","","","0.1506","0.1527","","","","","","1.017","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119435","13.1739","0.0012","13.1739","0.0012","23.54","0.002","90","","90","","120","","3538.1","0.5","123","2","123","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C45 H69 F6 P Sb -","- C45 H69 F6 P Sb -","- C135 H207 F18 P3 Sb3 -","3","0.333333","","Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang","Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations","Journal of the American Chemical Society","2013","135","","3414","3417","10.1021/ja4012113","","","0.71073","MoKα","","0.0541","0.0498","","","0.1208","0.1221","","","","","","1.078","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119436","23.0819","0.0019","11.4752","0.0009","20.2403","0.0016","90","","93.26","0.002","90","","5352.4","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H48 P4 Pt -","- C68 H48 P4 Pt -","- C272 H192 P16 Pt4 -","4","0.5","","Sarah E. Lindahl; Hyunsoo Park; Maren Pink; Jeffrey M. Zaleski","Utilizing Redox-Mediated Bergman Cyclization toward the Development of Dual-Action Metalloenediyne Therapeutics","Journal of the American Chemical Society","2013","135","","3826","3833","10.1021/ja308190q","","x-ray","0.71073","MoKα","","0.0568","0.036","","","0.0592","0.0649","","","","","","1.002","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119437","12.8186","0.0015","17.1433","0.0018","16.8761","0.0019","90","","97.745","0.002","90","","3674.7","0.7","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 Cl2 D2 I4 P2 Pt -","- C35 H26 Cl2 I4 P2 Pt -","- C140 H104 Cl8 I16 P8 Pt4 -","4","1","","Sarah E. Lindahl; Hyunsoo Park; Maren Pink; Jeffrey M. Zaleski","Utilizing Redox-Mediated Bergman Cyclization toward the Development of Dual-Action Metalloenediyne Therapeutics","Journal of the American Chemical Society","2013","135","","3826","3833","10.1021/ja308190q","","","0.71073","MoKα","","0.0457","0.0328","","","0.0801","0.0863","","","","","","1.09","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119438","35.5323","0.0004","13.0648","0.0001","26.9654","0.0002","90","","92.584","0.001","90","","12505.2","0.19","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C122 H126 N22 O4 Sm2 U2 -","- C122 H126 N22 O4 Sm2 U2 -","- C488 H504 N88 O16 Sm8 U8 -","4","0.5","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0415","0.0305","","","0.075","0.0788","","","","","","1.063","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119439","15.7483","0.0006","18.0491","0.0008","19.3912","0.0007","65.355","0.004","87.645","0.003","87.339","0.003","5002.9","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H105 N21 O4 U2 Yb2 -","- C109 H105 N21 O4 U2 Yb2 -","- C218 H210 N42 O8 U4 Yb4 -","2","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0886","0.0545","","","0.1316","0.1394","","","","","","0.933","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119440","27.8826","0.0003","27.8826","0.0003","19.9897","0.0004","90","","90","","90","","15540.8","0.4","170","2","170","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C77 H75 Cl Li N15 O2 Sm U -","- C77 H75 Cl Li N15 O2 Sm U -","- C616 H600 Cl8 Li8 N120 O16 Sm8 U8 -","8","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.073","0.0654","","","0.1612","0.1653","","","","","","1.067","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119441","16.583","0.0004","27.512","0.0005","23.2171","0.0006","90","","108.585","0.003","90","","10040","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H105 Ce2 N21 O4 U2 -","- C109 H105 Ce2 N21 O4 U2 -","- C436 H420 Ce8 N84 O16 U8 -","4","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.1004","0.0527","","","0.1224","0.1289","","","","","","0.993","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119442","27.7905","0.0004","27.7905","0.0004","20.0281","0.0005","90","","90","","90","","15467.9","0.5","170","2","170","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C82 H80 Cl Li N16 O2 U Y -","- C82 H80 Cl Li N16 O2 U Y -","- C656 H640 Cl8 Li8 N128 O16 U8 Y8 -","8","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.1011","0.0539","","","0.0977","0.119","","","","","","1.06","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119443","15.1951","0.0006","16.284","0.0008","26.5859","0.0008","96.358","0.003","97.314","0.003","102.638","0.004","6301.1","0.5","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H143 N16 O12 Sm2 U2 -","- C116 H143 N16 O12 Sm2 U2 -","- C232 H286 N32 O24 Sm4 U4 -","2","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.1411","0.0661","","","0.1164","0.1427","","","","","","0.899","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119444","16.405","0.003","27.544","0.003","23.131","0.005","90","","108.32","0.02","90","","9922","3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H105 Dy2 N21 O4 U2 -","- C109 H105 Dy2 N21 O4 U2 -","- C436 H420 Dy8 N84 O16 U8 -","4","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0725","0.0437","","","0.0753","0.0915","","","","","","1.079","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119445","17.446","0.005","15.118","0.005","20.619","0.005","90","0.005","110.428","0.005","90","0.005","5096","3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H110 N22 O4 Sc2 U2 -","- C114 H110 N22 O4 Sc2 U2 -","- C228 H220 N44 O8 Sc4 U4 -","2","0.5","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0408","0.0265","","","0.0538","0.0588","","","","","","1.038","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119446","17.5714","0.0007","15.1648","0.0004","20.6389","0.0009","90","","110.56","0.004","90","","5149.3","0.4","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C114 H110 Lu2 N22 O4 U2 -","- C114 H110 Lu2 N22 O4 U2 -","- C228 H220 Lu4 N44 O8 U4 -","2","0.5","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0393","0.0297","","","0.068","0.0745","","","","","","1.16","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119447","16.3807","0.0003","27.5419","0.0004","23.0385","0.0004","90","","108.055","0.002","90","","9882.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H105 Er2 N21 O4 U2 -","- C109 H105 Er2 N21 O4 U2 -","- C436 H420 Er8 N84 O16 U8 -","4","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0647","0.039","","","0.0727","0.0826","","","","","","1.074","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119448","16.455","0.0005","27.5854","0.0007","23.112","0.0006","90","","108.125","0.003","90","","9970.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109 H105 Eu2 N21 O4 U2 -","- C109 H105 Eu2 N21 O4 U2 -","- C436 H420 Eu8 N84 O16 U8 -","4","1","","Polly L. Arnold; Emmalina Hollis; Gary S. Nichol; Jason B. Love; Jean-Christophe Griveau; Roberto Caciuffo; Nicola Magnani; Laurent Maron; Ludovic Castro; Ahmed Yahia; Samuel O. Odoh; Georg Schreckenbach","Oxo-Functionalization and Reduction of the Uranyl Ion through Lanthanide-Element Bond Homolysis: Synthetic, Structural, and Bonding Analysis of a Series of Singly Reduced Uranyl-Rare Earth 5f1-4fn Complexes","Journal of the American Chemical Society","2013","135","","3841","3854","10.1021/ja308993g","","","0.71073","MoKα","","0.0707","0.0298","","","0.0424","0.0444","","","","","","0.745","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119449","7.6433","0.0008","19.887","0.002","22.256","0.003","90","","90","","90","","3383","0.7","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O3 -","- C18 H15 Br O3 -","- C144 H120 Br8 O24 -","8","2","","Keiji Mori; Yuki Ichikawa; Manato Kobayashi; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Enantioselective Synthesis of Multisubstituted Biaryl Skeleton by Chiral Phosphoric Acid Catalyzed Desymmetrization/Kinetic Resolution Sequence","Journal of the American Chemical Society","2013","135","","3964","3970","10.1021/ja311902f","","","0.71073","MoKα","","0.0606","0.0503","","","0.1548","0.1615","","","","","","1.108","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119450","7.6643","0.0007","24.652","0.002","10.9316","0.001","90","","110.313","0.001","90","","1937","0.3","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20.5 H20.5 Br O3 -","- C22 H24 Br O3 -","- C88 H96 Br4 O12 -","4","2","","Keiji Mori; Yuki Ichikawa; Manato Kobayashi; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Enantioselective Synthesis of Multisubstituted Biaryl Skeleton by Chiral Phosphoric Acid Catalyzed Desymmetrization/Kinetic Resolution Sequence","Journal of the American Chemical Society","2013","135","","3964","3970","10.1021/ja311902f","","","0.71073","MoKα","","0.0406","0.0336","","","0.0754","0.0774","","","","","","1.01","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119451","10.078","0.004","10.294","0.004","15.787","0.006","73.466","0.004","73.382","0.004","82.855","0.004","1502.8","1","123","","123","","","","","","","","","4","P 1","P 1","1","","","","- C37 H27 Br O5 -","- C37 H27 Br O5 -","- C74 H54 Br2 O10 -","2","2","","Keiji Mori; Yuki Ichikawa; Manato Kobayashi; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Enantioselective Synthesis of Multisubstituted Biaryl Skeleton by Chiral Phosphoric Acid Catalyzed Desymmetrization/Kinetic Resolution Sequence","Journal of the American Chemical Society","2013","135","","3964","3970","10.1021/ja311902f","","","0.71073","MoKα","","0.0605","0.0454","","","0.1002","0.1058","","","","","","0.983","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119452","8.6265","0.0018","19.609","0.004","22.208","0.005","90","","90.633","0.003","90","","3756.4","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Ir N4 Si -","- C39 H58 Ir N4 Si -","- C156 H232 Ir4 N16 Si4 -","4","1","","Daniel Sieh; Peter Burger","Si-H Activation in an Iridium Nitrido Complex-A Mechanistic and Theoretical Study","Journal of the American Chemical Society","2013","135","","3971","3982","10.1021/ja311905h","","","0.71073","MoKα","","0.0826","0.0683","","","0.1365","0.1432","","","","","","1.153","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119453","17.9762","0.0012","21.7959","0.0015","23.8077","0.0016","90","","93.523","0.002","90","","9310.4","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H58 F3 Ir N4 Si -","- C52 H58 F3 Ir N4 Si -","- C416 H464 F24 Ir8 N32 Si8 -","8","2","","Daniel Sieh; Peter Burger","Si-H Activation in an Iridium Nitrido Complex-A Mechanistic and Theoretical Study","Journal of the American Chemical Society","2013","135","","3971","3982","10.1021/ja311905h","","","0.71073","MoKα","","0.1137","0.0707","","","0.1535","0.1768","","","","","","1.183","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119454","15.1165","0.0005","14.0913","0.0005","18.6829","0.0006","90","","104.79","","90","","3847.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H57 Ir N4 Si -","- C39 H57 Ir N4 Si -","- C156 H228 Ir4 N16 Si4 -","4","1","","Daniel Sieh; Peter Burger","Si-H Activation in an Iridium Nitrido Complex-A Mechanistic and Theoretical Study","Journal of the American Chemical Society","2013","135","","3971","3982","10.1021/ja311905h","","","0.71073","MoKα","","0.0598","0.0375","","","0.0797","0.0937","","","","","","1.054","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119455","8.966","0.003","10.032","0.004","11.215","0.004","74.336","0.005","72.466","0.005","65.955","0.004","865.8","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cu N6 O2.5 -","- C18 H21 Cu N6 O2.5 -","- C36 H42 Cu2 N12 O5 -","2","1","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","","","0.71073","MoKα","","0.0991","0.0589","","","0.1218","0.1399","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119456","19.529","0.009","10.884","0.004","19.479","0.007","90","","108.276","0.007","90","","3931","3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cu N6 O2 -","- C15 H14 Cu N6 O2 -","- C120 H112 Cu8 N48 O16 -","8","1","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","","","0.71073","MoKα","","0.0515","0.0394","","","0.0827","0.0871","","","","","","1.004","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119457","21.663","0.007","23.202","0.007","12.786","0.004","90","","113.847","0.006","90","","5878","3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cu N6 O2 -","- C15 H14 Cu N6 O2 -","- C180 H168 Cu12 N72 O24 -","12","1.5","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","","","0.71073","MoKα","","0.1486","0.1121","","","0.2214","0.2375","","","","","","1.027","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119458","9.0102","0.0008","10.0302","0.0009","11.2964","0.0008","73.969","0.006","72.081","0.007","65.936","0.004","873.51","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Cu N6 O4 -","- C15 H14 Cu N6 O4 -","- C30 H28 Cu2 N12 O8 -","2","1","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","powder diffraction","x-ray","0.6124","synchrotron","","","","","","","","","0.0549","3.45","","","","","","","has coordinates,has Fobs","178965","2020-10-21","18:00:00",""
"4119459","8.8876","0.0006","9.8698","0.0007","11.3149","0.0006","75.32","0.005","73.151","0.006","68.201","0.004","870.05","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Cu N6 O3 -","- C15 H14 Cu N6 O3 -","- C30 H28 Cu2 N12 O6 -","2","1","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","powder diffraction","x-ray","0.60505","synchrotron","","","","","","","","","0.0515","1.83","","","","","","","has coordinates,has Fobs","178965","2020-10-21","18:00:00",""
"4119460","11.3244","0.001","12.0673","0.0012","12.6145","0.0012","94.319","0.005","91.205","0.008","95.485","0.007","1710.4","0.3","423","2","423","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Cu N6 O2 -","- C15 H14 Cu N6 O2 -","- C60 H56 Cu4 N24 O8 -","4","2","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","powder diffraction","x-ray","0.60505","synchrotron","","","","","","","","","0.0549","1.61","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4119461","12.5434","0.0003","11.2251","0.0002","11.9059","0.0003","90","","90","","90","","1676.36","0.07","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H14 Cu N6 O2 -","- C15 H14 Cu N6 O2 -","- C60 H56 Cu4 N24 O8 -","4","0.5","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","powder diffraction","x-ray","0.41308","synchrotron","","","","","","","","","0.0533","1.22","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4119462","11.1761","0.0003","11.8084","0.0004","12.5239","0.0004","90","","91.705","0.003","90","","1652.07","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Cu N6 O2 -","- C15 H14 Cu N6 O2 -","- C60 H56 Cu4 N24 O8 -","4","1","","Mario Wriedt; Andrey A. Yakovenko; Gregory J. Halder; Andrey V. Prosvirin; Kim R. Dunbar; Hong-Cai Zhou","Reversible Switching from Antiferro- to Ferromagnetic Behavior by Solvent-Mediated, Thermally-Induced Phase Transitions in a Trimorphic MOF-Based Magnetic Sponge System","Journal of the American Chemical Society","2013","135","","4040","4050","10.1021/ja312347p","powder diffraction","x-ray","0.41308","synchrotron","","","","","","","","","0.0296","1.22","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4119463","11.4412","0.0002","22.9354","0.0003","13.1231","0.0002","90","","93.608","0.001","90","","3436.79","0.09","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Aqua(dibromo)(nitrosyl-κ<i>N</i>){bis[tris(1-methylethyl)phosphane]}rhenium(I) tetrahydrofuran disolvate","","- C26 H60 Br2 N O4 P2 Re -","- C26 H60 Br2 N O4 P2 Re -","- C104 H240 Br8 N4 O16 P8 Re4 -","4","1","","Yanfeng Jiang; Birgitta Schirmer; Olivier Blacque; Thomas Fox; Stefan Grimme; Heinz Berke","The ""Catalytic Nitrosyl Effect"": NO Bending Boosting the Efficiency of Rhenium Based Alkene Hydrogenations","Journal of the American Chemical Society","2013","135","","4088","4102","10.1021/ja400135d","","","0.71073","MoKα","","0.0535","0.0403","","","0.0948","0.0973","","","","","","1.155","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119464","10.5635","0.0002","13.4677","0.0003","19.2709","0.0004","74.211","0.002","78.467","0.002","68.956","0.002","2446.2","0.1","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","Aqua(diiodo)(nitrosyl-κ<i>N</i>)[bis(triscyclohexylphosphane]}rhenium(I) tetrahydrofuran disolvate","","- C44 H84 I2 N O4 P2 Re -","- C44 H84 I2 N O4 P2 Re -","- C88 H168 I4 N2 O8 P4 Re2 -","2","1","","Yanfeng Jiang; Birgitta Schirmer; Olivier Blacque; Thomas Fox; Stefan Grimme; Heinz Berke","The ""Catalytic Nitrosyl Effect"": NO Bending Boosting the Efficiency of Rhenium Based Alkene Hydrogenations","Journal of the American Chemical Society","2013","135","","4088","4102","10.1021/ja400135d","","","0.71073","MoKα","","0.0386","0.0304","","","0.0798","0.0818","","","","","","1.031","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119465","10.9949","0.0002","14.1494","0.0003","15.0066","0.0003","65.381","0.002","83.432","0.002","84.29","0.002","2104.97","0.08","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","Carbonyl(diiodo)(nitrosyl-κ<i>N</i>)[bis(triscyclohexylphosphane]}rhenium(I) benzene hemisolvate","","- C40 H69 I2 N O2 P2 Re -","- C40 H69 I2 N O2 P2 Re -","- C80 H138 I4 N2 O4 P4 Re2 -","2","1","","Yanfeng Jiang; Birgitta Schirmer; Olivier Blacque; Thomas Fox; Stefan Grimme; Heinz Berke","The ""Catalytic Nitrosyl Effect"": NO Bending Boosting the Efficiency of Rhenium Based Alkene Hydrogenations","Journal of the American Chemical Society","2013","135","","4088","4102","10.1021/ja400135d","","","0.71073","MoKα","","0.0234","0.02","","","0.0434","0.0446","","","","","","1.067","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119466","28.9512","0.0006","11.2765","0.0002","21.8526","0.0005","90","","105.104","0.002","90","","6887.7","0.3","183","2","183","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tricyclohexylphosphonium hydrido(triphenyl)borate","","- C36 H35 B F15 P -","- C36 H35 B F15 P -","- C288 H280 B8 F120 P8 -","8","1","","Yanfeng Jiang; Birgitta Schirmer; Olivier Blacque; Thomas Fox; Stefan Grimme; Heinz Berke","The ""Catalytic Nitrosyl Effect"": NO Bending Boosting the Efficiency of Rhenium Based Alkene Hydrogenations","Journal of the American Chemical Society","2013","135","","4088","4102","10.1021/ja400135d","","","0.71073","MoKα","","0.0739","0.0563","","","0.1403","0.1517","","","","","","1.017","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119467","12.0721","0.0002","12.895","0.0003","15.2598","0.0003","113.372","0.002","92.182","0.002","111.252","0.002","1985.84","0.09","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","Hydrido(diiodo)(nitrosyl-κN)[bis(tricyclohexylphosphane)]rhenium(II)","","- C36 H67 I2 N O P2 Re -","- C36 H67 I2 N O P2 Re -","- C72 H134 I4 N2 O2 P4 Re2 -","2","1","","Yanfeng Jiang; Birgitta Schirmer; Olivier Blacque; Thomas Fox; Stefan Grimme; Heinz Berke","The ""Catalytic Nitrosyl Effect"": NO Bending Boosting the Efficiency of Rhenium Based Alkene Hydrogenations","Journal of the American Chemical Society","2013","135","","4088","4102","10.1021/ja400135d","","","0.71073","MoKα","","0.0262","0.024","","","0.049","0.0498","","","","","","1.144","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119468","13.408","0.002","14.878","0.002","23.068","0.004","104.541","0.008","90.001","0.009","116.551","0.008","3950.9","1.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C86.5 H148 N2 Ni2 O2 P2 -","- C64 H94 N2 Ni2 O2 P2 -","- C128 H188 N4 Ni4 O4 P4 -","2","1","","Madalyn R. Radlauer; Aya K. Buckley; Lawrence M. Henling; Theodor Agapie","Bimetallic Coordination Insertion Polymerization of Unprotected Polar Monomers: Copolymerization of Amino Olefins and Ethylene by Dinickel Bisphenoxyiminato Catalysts","Journal of the American Chemical Society","2013","135","","3784","3787","10.1021/ja4004816","","","0.71073","MoKα","","0.2114","0.1425","","","0.3256","0.3417","","","","","","1.771","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119469","13.284","0.004","21.951","0.007","27.971","0.009","91.115","0.007","97.107","0.008","101.877","0.007","7912","4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C86.8 H119.2 N2 Ni2 O2 P2 -","- C76.2965 H107.196 N2 Ni2 O2 P2 -","- C305.186 H428.784 N8 Ni8 O8 P8 -","4","2","","Madalyn R. Radlauer; Aya K. Buckley; Lawrence M. Henling; Theodor Agapie","Bimetallic Coordination Insertion Polymerization of Unprotected Polar Monomers: Copolymerization of Amino Olefins and Ethylene by Dinickel Bisphenoxyiminato Catalysts","Journal of the American Chemical Society","2013","135","","3784","3787","10.1021/ja4004816","","","0.71073","MoKα","","0.2353","0.1615","","","0.3432","0.364","","","","","","1.915","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119470","10.9624","0.0004","11.1511","0.0004","16.6631","0.0007","77.562","0.002","78.236","0.002","61.599","0.002","1737.48","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H54 B Cu P3 -","- C36 H54 B Cu P3 -","- C72 H108 B2 Cu2 P6 -","2","1","","Marc-Etienne Moret; Limei Zhang; Jonas C. Peters","A Polar Copper-Boron One-Electron σ-Bond","Journal of the American Chemical Society","2013","135","","3792","3795","10.1021/ja4006578","","","0.71073","MoKα","","0.0856","0.0497","","","0.1003","0.1144","","","","","","1.036","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119471","26.2296","0.0012","19.7982","0.0009","26.5304","0.0011","90","","90","","90","","13777.2","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C68 H66 B2 Cu F24 P3 -","- C68 H66 B2 Cu F24 P3 -","- C544 H528 B16 Cu8 F192 P24 -","8","1","","Marc-Etienne Moret; Limei Zhang; Jonas C. Peters","A Polar Copper-Boron One-Electron σ-Bond","Journal of the American Chemical Society","2013","135","","3792","3795","10.1021/ja4006578","","","0.71073","MoKα","","0.0779","0.0461","","","0.1105","0.1299","","","","","","1.042","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119472","11.3982","0.0005","34.9481","0.0015","16.0773","0.0007","90","","92.586","0.002","90","","6397.8","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H94 B Cu K O10 P3 -","- C64 H94 B Cu K O10 P3 -","- C256 H376 B4 Cu4 K4 O40 P12 -","4","1","","Marc-Etienne Moret; Limei Zhang; Jonas C. Peters","A Polar Copper-Boron One-Electron σ-Bond","Journal of the American Chemical Society","2013","135","","3792","3795","10.1021/ja4006578","","","0.71073","MoKα","","0.0697","0.0411","","","0.0854","0.0952","","","","","","1.02","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119473","10.037","0.0005","14.3561","0.0007","17.7392","0.0008","92.3266","0.0005","90.3471","0.0005","99.9098","0.0005","2515.6","0.2","88","2","88","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H43 Dy -","- C29 H43 Dy -","- C116 H172 Dy4 -","4","2","","Megan E. Fieser; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Dinitrogen Reduction via Photochemical Activation of Heteroleptic Tris(cyclopentadienyl) Rare-Earth Complexes","Journal of the American Chemical Society","2013","135","","3804","3807","10.1021/ja400664s","","","0.71073","MoKα","","0.0251","0.0197","","","0.0472","0.0494","","","","","","1.037","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119474","22.97","0.002","10.2044","0.0009","23.173","0.002","90","","114.601","0.001","90","","4938.6","0.7","143","2","143","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H41 Lu -","- C28 H41 Lu -","- C224 H328 Lu8 -","8","2","","Megan E. Fieser; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Dinitrogen Reduction via Photochemical Activation of Heteroleptic Tris(cyclopentadienyl) Rare-Earth Complexes","Journal of the American Chemical Society","2013","135","","3804","3807","10.1021/ja400664s","","","0.71073","MoKα","","0.065","0.0537","","","0.1021","0.1053","","","","","","1.276","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119475","10.402","0.005","9.94","0.005","20.008","0.005","90","0.005","102.35","0.005","90","0.005","2020.9","1.5","153","2","153","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H36 O4 -","- C22 H36 O4 -","- C88 H144 O16 -","4","0.5","","Laina M. Geary; Ben W. Glasspoole; Mary M. Kim; Michael J. Krische","Successive C-C Coupling of Dienes to Vicinally Dioxygenated Hydrocarbons: Ruthenium Catalyzed [4 + 2] Cycloaddition across the Diol, Hydroxycarbonyl, or Dione Oxidation Levels","Journal of the American Chemical Society","2013","135","","3796","3799","10.1021/ja400691t","","","0.71069","MoKα","","0.1363","0.1231","","","0.2948","0.3033","","","","","","2.229","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119476","17.265","0.002","25.499","0.003","11.2048","0.0014","90","","90","","90","","4932.8","1","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","ben04","","","- C53 H68 B Mn N4 O3 S -","- C53 H68 B Mn N4 O3 S -","- C212 H272 B4 Mn4 N16 O12 S4 -","4","1","","Michael K. Coggins; Vlad Martin-Diaconescu; Serena DeBeer; Julie A. Kovacs","Correlation Between Structural, Spectroscopic, and Reactivity Properties Within a Series of Structurally Analogous Metastable Manganese(III)-Alkylperoxo Complexes","Journal of the American Chemical Society","2013","135","","4260","4272","10.1021/ja308915x","","","0.71073","MoKα","","0.1826","0.0696","","","0.0937","0.1246","","","","","","1","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119477","12.8928","0.0018","14.433","0.002","15.069","0.003","71.085","0.01","77.463","0.01","82.463","0.009","2583.8","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","michael066","","","- C56 H64.65 B Cl1.34 Mn N4 O2.33 S -","- C55.993 H64.648 B Cl1.338 Mn N4 O2.331 S -","- C111.986 H129.296 B2 Cl2.676 Mn2 N8 O4.662 S2 -","2","1","","Michael K. Coggins; Vlad Martin-Diaconescu; Serena DeBeer; Julie A. Kovacs","Correlation Between Structural, Spectroscopic, and Reactivity Properties Within a Series of Structurally Analogous Metastable Manganese(III)-Alkylperoxo Complexes","Journal of the American Chemical Society","2013","135","","4260","4272","10.1021/ja308915x","","","0.71073","MoKα","","0.2391","0.1004","","","0.1919","0.2365","","","","","","0.952","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119478","10.5559","0.0008","14.0937","0.001","23.9583","0.0016","90","","94.56","0.004","90","","3553","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","ben07","","","- C69 H92 F12 Mn2 N8 O4 P2 S2 -","- C69 H92 F12 Mn2 N8 O4 P2 S2 -","- C138 H184 F24 Mn4 N16 O8 P4 S4 -","2","0.5","","Michael K. Coggins; Vlad Martin-Diaconescu; Serena DeBeer; Julie A. Kovacs","Correlation Between Structural, Spectroscopic, and Reactivity Properties Within a Series of Structurally Analogous Metastable Manganese(III)-Alkylperoxo Complexes","Journal of the American Chemical Society","2013","135","","4260","4272","10.1021/ja308915x","","","0.71073","MoKα","","0.1382","0.0688","","","0.1692","0.2088","","","","","","1.013","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119479","9.542","0.0007","14.5846","0.0011","16.4547","0.0013","77.689","0.004","83.682","0.004","78.144","0.004","2184.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","michael054","","","- C50 H60 B Mn N4 O2 S -","- C50 H60 B Mn N4 O2 S -","- C100 H120 B2 Mn2 N8 O4 S2 -","2","1","","Michael K. Coggins; Vlad Martin-Diaconescu; Serena DeBeer; Julie A. Kovacs","Correlation Between Structural, Spectroscopic, and Reactivity Properties Within a Series of Structurally Analogous Metastable Manganese(III)-Alkylperoxo Complexes","Journal of the American Chemical Society","2013","135","","4260","4272","10.1021/ja308915x","","","0.71073","MoKα","","0.1436","0.0667","","","0.1448","0.1786","","","","","","1.008","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119480","7.0769","0.0006","15.3364","0.0018","8.3414","0.0007","90","","98.595","0.004","90","","895.16","0.15","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 B N O P -","- C18 H25 B N O P -","- C36 H50 B2 N2 O2 P2 -","2","1","","Hester Zijlstra; Thierry León; Abel de Cózar; Célia Fonseca Guerra; Daniel Byrom; Antoni Riera; Xavier Verdaguer; F. Matthias Bickelhaupt","Stereodivergent SN2@P Reactions of Borane Oxazaphospholidines: Experimental and Theoretical Studies","Journal of the American Chemical Society","2013","135","","4483","4491","10.1021/ja400208t","","","0.71073","MoKα","","0.0401","0.0373","","","0.0887","0.0968","","","","","","1.095","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119481","8.0527","0.0011","11.9834","0.0019","25.563","0.004","90","","95.601","0.005","90","","2455","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 Ga N -","- C29 H36 Ga N -","- C116 H144 Ga4 N4 -","4","1","","Takuya Matsumoto; Kazuo Tanaka; Yoshiki Chujo","Synthesis and Optical Properties of Stable Gallafluorene Derivatives: Investigation of Their Emission via Triplet States","Journal of the American Chemical Society","2013","135","","4211","4214","10.1021/ja400287y","","","0.71075","MoKα","","0.0493","0.0414","","","0.1392","0.1516","","","","","","1.188","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119482","11.2602","0.0016","9.2611","0.0011","18.389","0.003","90","","101.193","0.0011","90","","1881.2","0.5","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H12 Cl2 N4 O4 -","- C20 H12 Cl2 N4 O4 -","- C80 H48 Cl8 N16 O16 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0359","","","","0.0395","","","","","","1.872","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119483","11.459","0.008","9.245","0.006","18.441","0.01","90","","101.68","0.011","90","","1913","2","410","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cl2 N4 O4 -","- C20 H12 Cl2 N4 O4 -","- C80 H48 Cl8 N16 O16 -","4","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.6876","Synchrotron","","","0.0314","","","","0.0404","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119484","11.237","0.007","9.247","0.006","18.374","0.009","90","","101.203","0.015","90","","1872.8","1.9","296.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H12 Cl2 N4 O4 -","- C20 H12 Cl2 N4 O4 -","- C80 H48 Cl8 N16 O16 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.6876","Synchrotron","","","0.0291","","","","0.0366","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119485","11.3686","0.0015","9.3558","0.0011","18.41","0.003","90","","99.0211","0.0013","90","","1933.9","0.5","293.1","","293.1","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H12 Br2 N4 O4 -","- C20 H12 Br2 N4 O4 -","- C80 H48 Br8 N16 O16 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0283","","","","0.033","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119486","15.546","0.002","7.1922","0.001","21.463","0.003","90","","102.055","0.0011","90","","2346.9","0.6","293.1","","293.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H26 Br6 N8 O12 -","- C46 H26 Br6 N8 O12 -","- C92 H52 Br12 N16 O24 -","2","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0336","","","","0.0446","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119487","9.9922","0.0005","10.5041","0.001","12.0393","0.0008","89.537","0.006","67.868","0.005","84.597","0.006","1164.81","0.15","293.1","","293.1","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H26 Br6 N8 O12 -","- C46 H26 Br6 N8 O12 -","- C46 H26 Br6 N8 O12 -","1","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0302","","","","0.0323","","","","","","0.95","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119488","10.8001","0.0014","9.616","0.0011","17.421","0.002","90","","98.9039","0.0011","90","","1787.4","0.4","293.1","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 F2 N4 O4 -","- C20 H12 F2 N4 O4 -","- C80 H48 F8 N16 O16 -","4","0.5","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0406","","","","0.059","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119489","16.148","0.002","9.2333","0.001","13.384","0.0015","90","","100.088","0.0011","90","","1964.7","0.4","293","","293","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C21 H16 F2 N4 O5 -","- C21 H16 F2 N4 O5 -","- C84 H64 F8 N16 O20 -","4","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0391","","","","0.0308","","","","","","1.512","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119490","7.9891","0.0008","11.0312","0.0014","11.1116","0.001","68.432","0.012","71.108","0.012","79.987","0.014","859.96","0.18","293.1","","293.1","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 F2 N2 O4 -","- C20 H18 F2 N2 O4 -","- C40 H36 F4 N4 O8 -","2","1","","Sachio Horiuchi; Reiji Kumai; Yoshinori Tokura","High-Temperature and Pressure-Induced Ferroelectricity in Hydrogen-Bonded Supramolecular Crystals of Anilic Acids and 2,3-Di(2-pyridinyl)pyrazine","Journal of the American Chemical Society","2013","135","","4492","4500","10.1021/ja400318v","","","0.7107","MoKα","","","0.0487","","","","0.0374","","","","","","1.777","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119491","25.26","0.002","15.1746","0.0014","19.7048","0.0018","90","","95.067","0.001","90","","7523.5","1.1","90","2","90","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C121.32 H49.33 Cl0.41 N4 Ni Sm3 -","- C120.82 H49.46 Cl0.81 N4 Ni Sm2.7694 -","- C483.28 H197.84 Cl3.24 N16 Ni4 Sm11.0776 -","4","0.5","","Wei Xu; Lai Feng; Matteo Calvaresi; Jia Liu; Yang Liu; Ben Niu; Zujin Shi; Yongfu Lian; Francesco Zerbetto","An Experimentally Observed Trimetallofullerene Sm3@Ih-C80: Encapsulation of Three Metal Atoms in a Cage without a Nonmetallic Mediator","Journal of the American Chemical Society","2013","135","","4187","4190","10.1021/ja400490u","","","0.71073","MoKα","","0.0835","0.075","","","0.2121","0.2189","","","","","","1.015","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119492","18.8112","0.0015","10.7151","0.0006","8.6031","0.0005","90","","90","","90","","1734.1","0.2","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- B11 Ba4 F O20 -","- B11 Ba4 F O20 -","- B44 Ba16 F4 O80 -","4","0.5","","Hongping Wu; Hongwei Yu; Zhihua Yang; Xueling Hou; Xin Su; Shilie Pan; Kenneth R. Poeppelmeier; James M. Rondinelli","Designing a Deep-Ultraviolet Nonlinear Optical Material with a Large Second Harmonic Generation Response","Journal of the American Chemical Society","2013","135","","4215","4218","10.1021/ja400500m","","","0.71073","MoKα","","0.0142","0.0141","","","0.0338","0.0338","","","","","","1.06","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119493","49.2578","0.0009","15.0524","0.0006","19.1141","0.0007","90","","101.689","0.002","90","","13878.2","0.8","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C82 H76 Cl3 N3 -","- C82 H76 Cl3 N3 -","- C656 H608 Cl24 N24 -","8","1","","Florian Schlütter; Frédéric Rossel; Milan Kivala; Volker Enkelmann; Jean-Paul Gisselbrecht; Pascal Ruffieux; Roman Fasel; Klaus Müllen","π-Conjugated Heterotriangulene Macrocycles by Solution and Surface-supported Synthesis toward Honeycomb Networks","Journal of the American Chemical Society","2013","135","","4550","4557","10.1021/ja400857g","","","0.71073","MoKα","","0.1409","0.0506","","0.2382","0.0587","0.0587","","","","","","0.9293","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119494","5.4341","0.0006","10.1557","0.0012","20.159","0.002","90","","90","","90","","1112.5","0.2","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H9 Br O3 -","- C13 H9 Br O3 -","- C52 H36 Br4 O12 -","4","1","","Toshifumi Dohi; Naoko Takenaga; Tomofumi Nakae; Yosuke Toyoda; Mikio Yamasaki; Motoo Shiro; Hiromichi Fujioka; Akinobu Maruyama; Yasuyuki Kita","Asymmetric Dearomatizing Spirolactonization of Naphthols Catalyzed by Spirobiindane-Based Chiral Hypervalent Iodine Species","Journal of the American Chemical Society","2013","135","","4558","4566","10.1021/ja401074u","","","0.71075","MoKα","","","0.0238","","","","0.0682","","","","","","1.045","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119495","13.9515","0.0006","7.4841","0.0003","20.7748","0.0009","90","","98.7267","0.0005","90","","2144.08","0.16","83","2","83","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H56 N4 O10 Si -","- C41 H56 N4 O10 Si -","- C82 H112 N8 O20 Si2 -","2","1","","Salman Y. Jabri; Larry E. Overman","Enantioselective Total Synthesis of Plectosphaeroic Acid B","Journal of the American Chemical Society","2013","135","","4231","4234","10.1021/ja401423j","","","0.71073","MoKα","","0.037","0.0358","","","0.0983","0.0993","","","","","","1.048","","","","has coordinates,has disorder","178965","2020-10-21","18:00:00",""
"4119496","16.206","0.004","25.131","0.006","25.621","0.006","90","","90","","90","","10435","4","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H87 N2 O4 P Pd -","- C54 H87 N2 O4 P Pd -","- C432 H696 N16 O32 P8 Pd8 -","8","1","","Julie Broggi; Václav Jurčík; Olivier Songis; Albert Poater; Luigi Cavallo; Alexandra M. Z. Slawin; Catherine S. J. Cazin","The Isolation of [Pd{OC(O)H}(H)(NHC)(PR3)] (NHC = N-Heterocyclic Carbene) and Its Role in Alkene and Alkyne Reductions Using Formic Acid","Journal of the American Chemical Society","2013","135","","4588","4591","10.1021/ja311087c","","","0.71073","MoKα","","0.1742","0.0911","","","0.1796","0.2133","","","","","","1.04","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119497","15.0774","0.0008","9.3896","0.0006","16.7012","0.0009","90","","112.131","0.003","90","","2190.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 F6 N -","- C27 H19 F6 N -","- C108 H76 F24 N4 -","4","1","","Sang Kyu Park; Shinto Varghese; Jong H. Kim; Seong-Jun Yoon; Oh Kyu Kwon; Byeong-Kwan An; Johannes Gierschner; Soo Young Park","Tailor-Made Highly Luminescent and Ambipolar Transporting Organic Mixed Stacked Charge-Transfer Crystals: An Isometric Donor-Acceptor Approach","Journal of the American Chemical Society","2013","135","","4757","4764","10.1021/ja312197b","","","0.71073","MoKα","","0.1129","0.0543","","","0.1371","0.1614","","","","","","0.876","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119498","13.6253","0.0016","13.6253","0.0016","7.6476","0.0009","90","","90","","90","","1419.8","0.3","223","2","273","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C2 Ca0.5 Cl0.25 O2.25 -","- C2 Ca0.5 Cl0.25 O2.25 -","- C32 Ca8 Cl4 O36 -","16","1","","Satoshi Horike; Yusuke Kamitsubo; Munehiro Inukai; Tomohiro Fukushima; Daiki Umeyama; Tomoya Itakura; Susumu Kitagawa","Postsynthesis Modification of a Porous Coordination Polymer by LiCl To Enhance H+ Transport","Journal of the American Chemical Society","2013","135","","4612","4615","10.1021/ja3122872","","","0.71075","MoKα","","0.0828","0.0821","","","0.2565","0.2579","","","","","","1.179","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119499","8.775","0.002","19.559","0.004","10.284","0.003","90","","109.567","0.004","90","","1663.1","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O -","- C22 H19 N O -","- C88 H76 N4 O4 -","4","1","","Qiuzheng Tang; Dexin Xia; Xiqing Jin; Qing Zhang; Xiao-Qiang Sun; Congyang Wang","Re/Mg Bimetallic Tandem Catalysis for [4+2] Annulation of Benzamides and Alkynes via C-H/N-H Functionalization","Journal of the American Chemical Society","2013","135","","4628","4631","10.1021/ja400020e","","","0.71073","MoKα","","0.0789","0.0671","","","0.1254","0.1311","","","","","","1.172","","","","has coordinates","178965","2020-10-21","18:00:00",""
"4119500","16.564","0.003","7.2675","0.0015","16.904","0.003","90","","114.72","0.03","90","","1848.4","0.8","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C22 H18 I N O -","- C22 H18 I N O -","- C88 H72 I4 N4 O4 -","4","1","","Qiuzheng Tang; Dexin Xia; Xiqing Jin; Qing Zhang; Xiao-Qiang Sun; Congyang Wang","Re/Mg Bimetallic Tandem Catalysis for [4+2] Annulation of Benzamides and Alkynes via C-H/N-H Functionalization","Journal of the American Chemical Society","2013","135","","4628","4631","10.1021/ja400020e","","","0.71073","MoKα","","0.0618","0.0596","","","0.1302","0.1315","","","","","","1.118","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119501","9.2425","0.0018","10.615","0.002","17.323","0.004","90","","96.45","0.03","90","","1688.8","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 F N O -","- C22 H18 F N O -","- C88 H72 F4 N4 O4 -","4","1","","Qiuzheng Tang; Dexin Xia; Xiqing Jin; Qing Zhang; Xiao-Qiang Sun; Congyang Wang","Re/Mg Bimetallic Tandem Catalysis for [4+2] Annulation of Benzamides and Alkynes via C-H/N-H Functionalization","Journal of the American Chemical Society","2013","135","","4628","4631","10.1021/ja400020e","","","0.71073","MoKα","","0.0653","0.0629","","","0.1452","0.1465","","","","","","1.217","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119502","21.68","0.05","5.975","0.014","31.44","0.07","90","","91.72","0.06","90","","4071","16","94","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H21 N2 O4 S -","- C22 H18 N2 O3 S -","- C176 H144 N16 O24 S8 -","8","1","","Stepan Chuprakov; Sen Wai Kwok; Valery V. Fokin","Transannulation of 1-Sulfonyl-1,2,3-triazoles with Heterocumulenes","Journal of the American Chemical Society","2013","135","","4652","4655","10.1021/ja400350c","","","0.71073","MoKα","","0.1507","0.0745","","","0.1753","0.2027","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119503","11.284","0.0009","8.3762","0.0008","32.86","0.003","90","","93.525","0.001","90","","3100","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 S2 -","- C16 H14 N2 O2 S2 -","- C128 H112 N16 O16 S16 -","8","2","","Stepan Chuprakov; Sen Wai Kwok; Valery V. Fokin","Transannulation of 1-Sulfonyl-1,2,3-triazoles with Heterocumulenes","Journal of the American Chemical Society","2013","135","","4652","4655","10.1021/ja400350c","","","0.71073","MoKα","","0.0419","0.0309","","","0.0855","0.0917","","","","","","1.014","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119504","9.821","0.0002","9.6719","0.0002","19.1185","0.0004","90","","103.207","0.002","90","","1767.99","0.06","173","0.14","173","0.14","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 O2 -","- C22 H24 O2 -","- C88 H96 O8 -","4","1","","Wanxiang Zhao; Zigang Li; Jianwei Sun","A New Strategy for Efficient Synthesis of Medium and Large Ring Lactones without High Dilution or Slow Addition","Journal of the American Chemical Society","2013","135","","4680","4683","10.1021/ja400883q","","x-ray","1.5418","CuKα","","0.0387","0.0357","","","0.097","0.1001","","","","","","1.009","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119505","8.709","0.005","16.587","0.005","24.956","0.005","90","","97.324","0.005","90","","3576","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H57 Fe N3 -","- C43 H57 Fe N3 -","- C172 H228 Fe4 N12 -","4","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","1.54184","CuKα","","0.0825","0.0735","","","0.1934","0.198","","","","","","1.17","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119506","14.114","0.005","14.556","0.005","14.624","0.005","72.891","0.005","71.995","0.005","63.857","0.005","2520.7","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H74 Fe N4 O3 S -","- C56 H74 Fe N4 O3 S -","- C112 H148 Fe2 N8 O6 S2 -","2","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","1.54184","CuKα","","0.1022","0.091","","","0.2537","0.2731","","","","","","1.09","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119507","12.4942","0.0002","14.9302","0.0002","15.2417","0.0002","68.939","0.001","71.67","0.001","85.963","0.001","2515.73","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H74 Fe N4 O3 S -","- C55 H74 Fe N4 O3 S -","- C110 H148 Fe2 N8 O6 S2 -","2","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","1.54178","CuKα","","0.0474","0.045","","","0.1238","0.1263","","","","","","1.043","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119508","11.486","0.002","11.764","0.002","18.135","0.004","107.419","0.005","95.658","0.004","107.102","0.003","2187.4","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Fe N4 O2 S -","- C50 H64 Fe N4 O2 S -","- C100 H128 Fe2 N8 O4 S2 -","2","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","0.71073","MoKα","","0.0584","0.0478","","","0.127","0.1371","","","","","","1.039","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119509","10.7412","0.0004","12.9217","0.0004","33.2629","0.0011","90","","97.19","0.002","90","","4580.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H72 Fe N4 O -","- C53 H72 Fe N4 O -","- C212 H288 Fe4 N16 O4 -","4","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","1.54178","CuKα","","0.0587","0.0548","","","0.1631","0.1651","","","","","","1.135","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119510","10.271","0.003","12.975","0.004","16.92","0.005","82.177","0.007","82.496","0.006","72.153","0.006","2116.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H59 Fe N4 O2 S -","- C47 H59 Fe N4 O2 S -","- C94 H118 Fe2 N8 O4 S2 -","2","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","0.71073","MoKα","","0.0956","0.0772","","","0.187","0.194","","","","","","1.207","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119511","12.561","0.005","16.625","0.005","21.744","0.005","90","","90","","90","","4541","2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C45 H69 Fe N3 Si2 -","- C45 H69 Fe N3 Si2 -","- C180 H276 Fe4 N12 Si8 -","4","1","","Jordan M. Hoyt; Kevin T. Sylvester; Scott P. Semproni; Paul J. Chirik","Synthesis and Electronic Structure of Bis(imino)pyridine Iron Metallacyclic Intermediates in Iron-Catalyzed Cyclization Reactions","Journal of the American Chemical Society","2013","135","","4862","4877","10.1021/ja400895j","","","1.54184","CuKα","","0.0611","0.045","","","0.1019","0.1097","","","","","","1.015","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119512","7.393","0.001","13.6537","0.0019","19.656","0.003","90","","90","","90","","1984.1","0.5","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br N2 O2 S -","- C21 H19 Br N2 O2 S -","- C84 H76 Br4 N8 O8 S4 -","4","1","","Lennart Lykke; Kim Søholm Halskov; Bjørn Dreiø Carlsen; Victor X. Chen; Karl Anker Jørgensen","Catalytic Asymmetric Diaziridination","Journal of the American Chemical Society","2013","135","","4692","4695","10.1021/ja401150m","","","0.71073","MoKα","","0.1377","0.0573","","","0.0785","0.0992","","","","","","1.017","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119513","10.1","0.002","19.07","0.004","26.03","0.005","90","","90","","90","","5013.6","1.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H63 F3 N12 O6 -","- C52 H63 F3 N12 O6 -","- C208 H252 F12 N48 O24 -","4","1","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","0.75","MoKα","","0.0387","0.0385","","","0.0994","0.0996","","","","","","1.048","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119514","22.104","0.004","25.028","0.005","23.517","0.005","90","","117.49","0.03","90","","11541","5","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54.5 H63.75 F3 N12 O8.5 -","- C54.5 H63.75 F3 N12 O8.25 -","- C436 H510 F24 N96 O66 -","8","4","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","1.54178","CuKα","","0.1433","0.1005","","","0.2672","0.321","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119515","13.389","0.002","25.301","0.006","17.527","0.003","90","","96.476","0.015","90","","5899.5","1.9","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C114.88 H140 F5.6 N24 O15 -","- C114.88 H140 F5.6 N24 O15 -","- C229.76 H280 F11.2 N48 O30 -","2","1","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","1.54178","CuKα","","0.1415","0.0819","","","0.1863","0.21","","","","","","0.863","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119516","9.877","0.002","25.468","0.005","11.919","0.002","90","","100.92","0.03","90","","2943.9","1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 F5 N4 O2 -","- C13 H11 F5 N4 O2 -","- C104 H88 F40 N32 O16 -","8","4","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","0.8726","","","0.0549","0.0539","","","0.1407","0.1418","","","","","","1.073","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119517","11.949","","11.949","","18.656","","90","","90","","90","","2663.68","","213","2","213","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C88 H160 N32 O16 -","- C88 H160 N32 O16 -","- C88 H160 N32 O16 -","1","0.125","","Nagendar Pendem; Céline Douat; Paul Claudon; Michel Laguerre; Sabine Castano; Bernard Desbat; Dominique Cavagnat; Eric Ennifar; Brice Kauffmann; Gilles Guichard","Helix-Forming Propensity of Aliphatic Urea Oligomers Incorporating Noncanonical Residue Substitution Patterns","Journal of the American Chemical Society","2013","135","","4884","4892","10.1021/ja401151v","","","1.54178","CuKα","","0.0909","0.0594","","","0.1368","0.1695","","","","","","1.042","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119518","12.464","0.0001","21.6176","0.0002","20.8186","0.0003","90","","97.338","0.001","90","","5563.46","0.11","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C55 H72 Au B9 N2 O P2 S -","- C55 H72 Au B9 N2 O P2 S -","- C220 H288 Au4 B36 N8 O4 P8 S4 -","4","1","","Renso Visbal; Isaura Ospino; José M. López-de-Luzuriaga; Antonio Laguna; M. Concepción Gimeno","N-Heterocyclic Carbene Ligands as Modulators of Luminescence in Three-Coordinate Gold(I) Complexes with Spectacular Quantum Yields","Journal of the American Chemical Society","2013","135","","4712","4715","10.1021/ja401523x","","","0.71073","MoKα","","0.0249","0.0209","","","0.0478","0.0496","","","","","","1.043","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119519","42.3323","0.001","11.4375","0.0002","22.6153","0.0006","90","","118.381","0.003","90","","9633.7","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47.5 H57 Au B9 Cl N2 P2 -","- C47.5 H57 Au B9 Cl N2 P2 -","- C380 H456 Au8 B72 Cl8 N16 P16 -","8","1","","Renso Visbal; Isaura Ospino; José M. López-de-Luzuriaga; Antonio Laguna; M. Concepción Gimeno","N-Heterocyclic Carbene Ligands as Modulators of Luminescence in Three-Coordinate Gold(I) Complexes with Spectacular Quantum Yields","Journal of the American Chemical Society","2013","135","","4712","4715","10.1021/ja401523x","","","0.71073","MoKα","","0.0382","0.0331","","","0.0811","0.0844","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119520","12.2134","0.0008","29.699","0.0015","14.7045","0.001","90","","102.9","0.007","90","","5199.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H58 Au B9 N3 O2.5 P2 -","- C50.5 H58 Au B9 N3 O2.5 P2 -","- C202 H232 Au4 B36 N12 O10 P8 -","4","1","","Renso Visbal; Isaura Ospino; José M. López-de-Luzuriaga; Antonio Laguna; M. Concepción Gimeno","N-Heterocyclic Carbene Ligands as Modulators of Luminescence in Three-Coordinate Gold(I) Complexes with Spectacular Quantum Yields","Journal of the American Chemical Society","2013","135","","4712","4715","10.1021/ja401523x","","","0.71073","MoKα","","0.118","0.0754","","","0.1542","0.1737","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119521","16.2107","0.0008","16.7559","0.0009","24.0188","0.0012","86.633","0.001","88.433","0.001","66.637","0.001","5978.8","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H146 Cu20 O18 P9 S18 -","- C63 H146 Cu20 O18 P9 S18 -","- C126 H292 Cu40 O36 P18 S36 -","2","1","","Rajendra S. Dhayal; Jian-Hong Liao; Yan-Ru Lin; Ping-Kuei Liao; Samia Kahlal; Jean-Yves Saillard; C. W. Liu","A Nanospheric Polyhydrido Copper Cluster of Elongated Triangular Orthobicupola Array: Liberation of H2 from Solar Energy","Journal of the American Chemical Society","2013","135","","4704","4707","10.1021/ja401576s","","","0.71073","MoKα","","0.0666","0.0476","","","0.1172","0.1323","","","","","","1.023","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119522","7.3246","0.0015","8.864","0.0018","15.446","0.003","82.46","0.03","84.33","0.03","74.63","0.03","956.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C50 H40 N4 O6 -","2","1","","Chuan-Hu Lei; De-Xian Wang; Liang Zhao; Jieping Zhu; Mei-Xiang Wang","Synthesis of Substituted Pyridines from Cascade [1 + 5] Cycloaddition of Isonitriles to N-Formylmethyl-Substituted Enamides, Aerobic Oxidative Aromatization, and Acyl Transfer Reaction","Journal of the American Chemical Society","2013","135","","4708","4711","10.1021/ja401701x","","","0.71073","MoKα","","0.0648","0.058","","","0.1292","0.1338","","","","","","1.123","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119523","10.985","0.002","11.022","0.002","11.542","0.002","77.49","0.03","76.3","0.03","82.6","0.03","1321","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 Cl N2 O4 -","- C32 H23 Cl N2 O4 -","- C64 H46 Cl2 N4 O8 -","2","1","","Chuan-Hu Lei; De-Xian Wang; Liang Zhao; Jieping Zhu; Mei-Xiang Wang","Synthesis of Substituted Pyridines from Cascade [1 + 5] Cycloaddition of Isonitriles to N-Formylmethyl-Substituted Enamides, Aerobic Oxidative Aromatization, and Acyl Transfer Reaction","Journal of the American Chemical Society","2013","135","","4708","4711","10.1021/ja401701x","","","0.71073","MoKα","","0.0751","0.0615","","","0.1276","0.135","","","","","","1.123","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119524","12.8677","0.0002","14.693","0.0003","20.5146","0.0014","102.498","0.007","105.29","0.007","98.781","0.007","3560.9","0.3","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H78 B2 Fe2 N8 O5 -","- C84 H78 B2 Fe2 N8 O5 -","- C168 H156 B4 Fe4 N16 O10 -","2","1","","Sheng Zheng; Timothy C. Berto; Eric W. Dahl; Melissa B. Hoffman; Amy L. Speelman; Nicolai Lehnert","The Functional Model Complex [Fe2(BPMP)(OPr)(NO)2](BPh4)2 Provides Insight into the Mechanism of Flavodiiron NO Reductases","Journal of the American Chemical Society","2013","135","","4902","4905","10.1021/ja309782m","","","1.54178","CuKα","","0.0627","0.0574","","","0.1504","0.155","","","","","","1.099","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119525","10.6316","0.001","11.4107","0.0011","13.3274","0.0012","101.395","0.002","97.884","0.002","108.634","0.002","1466.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H48 F Ir O P2 -","- C31 H48 F Ir O P2 -","- C62 H96 F2 Ir2 O2 P4 -","2","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0263","0.0234","","","0.0548","0.056","","","","","","1.006","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119526","10.7204","0.0003","11.6493","0.0003","13.4921","0.0003","102.108","0.001","96.18","0.001","110.906","0.001","1507.99","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H46 F3 Ir O P2 -","- C31 H46 F3 Ir O P2 -","- C62 H92 F6 Ir2 O2 P4 -","2","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0221","0.0207","","","0.0479","0.0485","","","","","","1.002","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119527","19.459","0.003","10.2015","0.0013","15.9","0.002","90","","97.035","0.002","90","","3132.6","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 Ir O2 P2 -","- C32 H51 Ir O2 P2 -","- C128 H204 Ir4 O8 P8 -","4","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0683","0.0418","","","0.0846","0.094","","","","","","1.001","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119528","8.6056","0.0008","18.8208","0.0018","17.0057","0.0017","90","","94.877","0.002","90","","2744.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 Ir O2 P2 -","- C27 H49 Ir O2 P2 -","- C108 H196 Ir4 O8 P8 -","4","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0332","0.0296","","","0.077","0.0798","","","","","","1.007","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119529","8.5618","0.0005","18.946","0.001","19.7697","0.001","90","","100.961","0.001","90","","3148.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H51 Ir O2 P2 -","- C32 H51 Ir O2 P2 -","- C128 H204 Ir4 O8 P8 -","4","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0288","0.0252","","","0.0565","0.0577","","","","","","1.008","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119530","10.597","0.002","10.845","0.002","15.489","0.003","97.612","0.006","96.676","0.006","109.943","0.006","1633.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H44 Ir O2 P2 -","- C32 H48 Ir O2 P2 -","- C64 H96 Ir2 O4 P4 -","2","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0426","0.0348","","","0.0913","0.1152","","","","","","0.969","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119531","14.7049","0.001","11.1407","0.0008","17.7742","0.0012","90","","111.957","0.001","90","","2700.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45.53 Ir O2 P2 -","- C26 H45.542 Ir O2 P2 -","- C104 H182.168 Ir4 O8 P8 -","4","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0311","0.0277","","","0.0674","0.069","","","","","","1.003","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119532","12.0304","0.0008","18.5067","0.0012","19.0177","0.0013","89.576","0.001","74.35","0.001","88.38","0.001","4075.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H47 Ir O2 P2 -","- C26 H47 Ir O2 P2 -","- C156 H282 Ir6 O12 P12 -","6","3","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0489","0.0356","","","0.0766","0.0813","","","","","","1.004","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119533","10.7671","0.0006","11.7049","0.0007","12.9622","0.0007","84.888","0.001","73.086","0.001","86.327","0.001","1555.47","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H49 Ir O2 P2 -","- C31 H49 Ir O2 P2 -","- C62 H98 Ir2 O4 P4 -","2","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0257","0.0231","","","0.0546","0.0558","","","","","","1.001","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119534","7.9911","0.0006","20.8473","0.0017","19.9171","0.0016","90","","96.929","0.001","90","","3293.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H53 Ir O3 P2 S -","- C32 H53 Ir O3 P2 S -","- C128 H212 Ir4 O12 P8 S4 -","4","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0377","0.0291","","","0.0634","0.0664","","","","","","1.004","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119535","8.1797","0.0006","20.2007","0.0015","19.8697","0.0015","90","","93.46","0.001","90","","3277.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 Ir O3 P2 S -","- C31 H51 Ir O3 P2 S -","- C124 H204 Ir4 O12 P8 S4 -","4","1","","Sabuj Kundu; Jongwook Choi; David Y. Wang; Yuriy Choliy; Thomas J. Emge; Karsten Krogh-Jespersen; Alan S. Goldman","Cleavage of Ether, Ester, and Tosylate C(sp3)-O Bonds by an Iridium Complex, Initiated by Oxidative Addition of C-H Bonds. Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","5127","5143","10.1021/ja312464b","","","0.71073","MoKα","","0.0701","0.0546","","","0.1353","0.1444","","","","","","1.002","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119536","7.5604","0.0008","8.4967","0.0009","13.0169","0.0014","85.469","0.004","78.082","0.003","66.35","0.003","749.44","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- F20 H3.5 Sb2.5 Xe -","- F20 Sb2.5 Xe -","- F40 Sb5 Xe2 -","2","1","","David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen","[H(OXeF2)n][AsF6] and [FXeII(OXeIVF2)n][AsF6] (n= 1, 2): Examples of Xenon(IV) Hydroxide Fluoride and Oxide Fluoride Cations and the Crystal Structures of [F3Xe—FH][Sb2F11] and [H5F4][SbF6].2[F3Xe—FH][Sb2F11]","Journal of the American Chemical Society","2013","135","","5089","5104","10.1021/ja312493j","","","0.71073","MoKα","","0.0418","0.0389","","","0.0991","0.1011","","","","","","1.158","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119537","13.412","0.0004","8.4709","0.0004","10.4543","0.0004","90","","110.493","0.002","90","","1112.57","0.08","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- F15 H Sb2 Xe -","- F15 Sb2 Xe -","- F60 Sb8 Xe4 -","4","0.5","","David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen","[H(OXeF2)n][AsF6] and [FXeII(OXeIVF2)n][AsF6] (n= 1, 2): Examples of Xenon(IV) Hydroxide Fluoride and Oxide Fluoride Cations and the Crystal Structures of [F3Xe—FH][Sb2F11] and [H5F4][SbF6].2[F3Xe—FH][Sb2F11]","Journal of the American Chemical Society","2013","135","","5089","5104","10.1021/ja312493j","","","0.71073","MoKα","","0.0321","0.025","","","0.0562","0.0582","","","","","","1.15","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119538","5.233","0.0002","15.6029","0.0004","9.0388","0.0002","90","","111.534","0.001","90","","686.5","0.04","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- F9 Sb Xe -","- F9 Sb Xe -","- F36 Sb4 Xe4 -","4","1","","David S. Brock; Hélène P. A. Mercier; Gary J. Schrobilgen","[H(OXeF2)n][AsF6] and [FXeII(OXeIVF2)n][AsF6] (n= 1, 2): Examples of Xenon(IV) Hydroxide Fluoride and Oxide Fluoride Cations and the Crystal Structures of [F3Xe—FH][Sb2F11] and [H5F4][SbF6].2[F3Xe—FH][Sb2F11]","Journal of the American Chemical Society","2013","135","","5089","5104","10.1021/ja312493j","","","0.71073","MoKα","","0.0292","0.0262","","","0.0604","0.0612","","","","","","1.195","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119539","14.1428","0.0004","19.4442","0.0004","19.5444","0.0003","89.6316","0.0013","70.6096","0.0013","85.402","0.0012","5052.3","0.2","200","","200","","","","","","","","local","7","P -1","-P 1","2","","","","- C72 H90 Au4 B4 N24 O9 W4 -","- C72 H88 Au4 B4 N24 O9 W4 -","- C144 H176 Au8 B8 N48 O18 W8 -","2","1","","Elliot S. Borren; Anthony F. Hill; Rong Shang; Manab Sharma; Anthony C. Willis","A Golden Ring: Molecular Gold Carbido Complexes","Journal of the American Chemical Society","2013","135","","4942","4945","10.1021/ja400128h","","","0.71073","MoKα","","0.0959","0.0724","","0.2197","0.1947","0.2196","","","","","","0.9588","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119540","9.2144","0.0012","9.3239","0.0012","9.5262","0.0013","90","","109.663","0.006","90","","770.71","0.18","106","","106","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H22 O3 S2 -","- C14 H22 O3 S2 -","- C28 H44 O6 S4 -","2","1","","Hao Jiang; David Cruz Cruz; Yang Li; Vibeke Henriette Lauridsen; Karl Anker Jørgensen","Asymmetric Organocatalytic Thio-Diels-Alder Reactions via Trienamine Catalysis","Journal of the American Chemical Society","2013","135","","5200","5207","10.1021/ja4007244","","","0.71073","MoKα","","0.0308","0.0284","","","0.0721","0.0741","","","","","","1.054","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119541","9.8333","0.0019","11.167","0.003","19.774","0.003","78.661","0.007","76.78","0.005","88.148","0.008","2072.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 B Fe P2 -","- C54 H45 B Fe P2 -","- C108 H90 B2 Fe2 P4 -","2","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.0929","0.0505","","","0.1162","0.1311","","","","","","0.987","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119542","18.921","0.003","9.9768","0.0012","31.705","0.004","90","","104.872","0.008","90","","5784.5","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H41 B Br Fe P2 -","- C30 H41 B Br Fe P2 -","- C240 H328 B8 Br8 Fe8 P16 -","8","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.0675","0.0414","","","0.0929","0.1012","","","","","","1.039","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119543","10.5707","0.0008","19.9433","0.0014","20.5612","0.0015","118.196","0.003","97.76","0.004","92.754","0.003","3754.1","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H57 B Fe N2 P2 Si2 -","- C36 H57 B Fe N2 P2 Si2 -","- C144 H228 B4 Fe4 N8 P8 Si8 -","4","2","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.069","0.0378","","","0.0824","0.0937","","","","","","1.003","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119544","13.608","0.0005","22.6752","0.0007","18.8057","0.0007","90","","103.366","0.001","90","","5645.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H82 B2 Fe2 N2 P4 -","- C60 H82 B2 Fe2 N2 P4 -","- C240 H328 B8 Fe8 N8 P16 -","4","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.0668","0.0359","","","0.0795","0.0916","","","","","","1.023","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119545","10.167","0.015","12.843","0.012","18.21","0.03","99.79","0.05","95.23","0.05","101.42","0.05","2277","6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H65 B Fe N2 P2 Si3 -","- C42 H65 B Fe N2 P2 Si3 -","- C84 H130 B2 Fe2 N4 P4 Si6 -","2","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.073","synchrotron","","0.0648","0.0543","","","0.1547","0.1615","","","","","","1.068","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119546","12.2122","0.0007","13.2685","0.0008","16.1433","0.0012","88.967","0.003","80.813","0.003","84.376","0.002","2569.8","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H67 B Fe N2 O2 P2 Si2 -","- C56 H66.364 B Fe N2 O2 P2 Si2 -","- C112 H132.728 B2 Fe2 N4 O4 P4 Si4 -","2","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.0607","0.0371","","","0.107","0.1162","","","","","","1.04","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119547","10.7196","0.0006","18.1906","0.0011","21.7101","0.001","90","","92.637","0.002","90","","4228.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H49 B Fe N2 P2 Si2 -","- C48 H49 B Fe N2 P2 Si2 -","- C192 H196 B4 Fe4 N8 P8 Si8 -","4","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.075","0.0407","","","0.0901","0.1024","","","","","","1.012","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119548","9.6143","0.0006","9.771","0.0005","19.9222","0.0014","87.525","0.003","88.376","0.004","68.912","0.002","1744.39","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 B Br Fe P2 -","- C42 H33 B Br Fe P2 -","- C84 H66 B2 Br2 Fe2 P4 -","2","1","","Daniel L. M. Suess; Jonas C. Peters","H-H and Si-H Bond Addition to Fe\τbNNR2 Intermediates Derived from N2","Journal of the American Chemical Society","2013","135","","4938","4941","10.1021/ja400836u","","","0.71073","MoKα","","0.0774","0.0461","","","0.1122","0.1196","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119549","19.7295","0.0004","11.3958","0.0002","21.2743","0.0004","90","","107.549","0.001","90","","4560.56","0.15","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 Br3 Cl3 Ir N9 Pd -","- C38 H48 Br3 Cl3 Ir N9 Pd -","- C152 H192 Br12 Cl12 Ir4 N36 Pd4 -","4","1","","Ramananda Maity; Hannah Koppetz; Alexander Hepp; F. Ekkehardt Hahn","Heterobimetallic Carbene Complexes by a Single-Step Site-Selective Metalation of a Tricarbene Ligand","Journal of the American Chemical Society","2013","135","","4966","4969","10.1021/ja401546h","","","0.71073","MoKα","","0.0479","0.03","","","0.061","0.0666","","","","","","1.075","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119550","10.254","0.011","6.962","0.008","11.58","0.013","90","","110.196","0.016","90","","775.9","1.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 Br2 O -","- C17 H20 Br2 O -","- C34 H40 Br4 O2 -","2","1","","Gerri E. Hutson; Yunus E. Türkmen; Viresh H. Rawal","Salen Promoted Enantioselective Nazarov Cyclizations of Activated and Unactivated Dienones","Journal of the American Chemical Society","2013","135","","4988","4991","10.1021/ja401908m","","","0.71073","MoKα","","0.1242","0.0891","","","0.2063","0.2237","","","","","","0.967","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119551","19.636","0.0004","12.1674","0.0002","11.4299","0.0002","90","","119.202","0.003","90","","2383.75","0.1","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H11.56 Cl0.89 N0.89 O3.56 Rh0.89 -","- C8 H11.5556 Cl0.888889 N0.888889 O3.55556 Rh0.888889 -","- C72 H104 Cl8 N8 O32 Rh8 -","9","1.125","","Megan H. Shaw; Ekaterina Y. Melikhova; Daniel P. Kloer; William G. Whittingham; John F. Bower","Directing Group Enhanced Carbonylative Ring Expansions of Amino-Substituted Cyclopropanes: Rhodium-Catalyzed Multicomponent Synthesis of N-Heterobicyclic Enones","Journal of the American Chemical Society","2013","135","","4992","4995","10.1021/ja401936c","","","1.54184","CuKα","","0.0209","0.0189","","0.0503","0.049","0.0501","","","","","","0.9942","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119552","8.0198","0.0014","8.3657","0.0014","8.8594","0.0015","67.972","0.005","87.261","0.004","71.917","0.005","522.19","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N O3 -","- C11 H14 N O3 -","- C22 H28 N2 O6 -","2","1","","Megan H. Shaw; Ekaterina Y. Melikhova; Daniel P. Kloer; William G. Whittingham; John F. Bower","Directing Group Enhanced Carbonylative Ring Expansions of Amino-Substituted Cyclopropanes: Rhodium-Catalyzed Multicomponent Synthesis of N-Heterobicyclic Enones","Journal of the American Chemical Society","2013","135","","4992","4995","10.1021/ja401936c","","","1.54178","CuKα","","0.0508","0.0495","","","0.1397","0.1411","","","","","","1.062","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119553","11.3128","0.0004","10.1697","0.0004","12.9898","0.0005","90","","102.653","0.002","90","","1458.15","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O2 -","- C17 H20 N2 O2 -","- C68 H80 N8 O8 -","4","1","","Megan H. Shaw; Ekaterina Y. Melikhova; Daniel P. Kloer; William G. Whittingham; John F. Bower","Directing Group Enhanced Carbonylative Ring Expansions of Amino-Substituted Cyclopropanes: Rhodium-Catalyzed Multicomponent Synthesis of N-Heterobicyclic Enones","Journal of the American Chemical Society","2013","135","","4992","4995","10.1021/ja401936c","","","0.71073","MoKα","","0.044","0.0355","","","0.0859","0.0915","","","","","","1.033","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119554","13.1242","0.0004","15.462","0.0004","17.2687","0.0007","90","","90","","90","","3504.3","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Cl2 Ge N5 -","- C33 H43 Cl2 Ge N5 -","- C132 H172 Cl8 Ge4 N20 -","4","1","","Yun Xiong; Shenglai Yao; Gengwen Tan; Shigeyoshi Inoue; Matthias Driess","A Cyclic Germadicarbene (""Germylone"") from Germyliumylidene","Journal of the American Chemical Society","2013","135","","5004","5007","10.1021/ja402477w","","","0.71073","MoKα","","0.0528","0.0448","","","0.0913","0.0944","","","","","","1.058","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119555","12.5347","0.0002","21.3341","0.0003","14.5859","0.0002","90","","101.883","0.001","90","","3816.92","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H52 Ge N4 -","- C41.5 H52 Ge N4 -","- C166 H208 Ge4 N16 -","4","1","","Yun Xiong; Shenglai Yao; Gengwen Tan; Shigeyoshi Inoue; Matthias Driess","A Cyclic Germadicarbene (""Germylone"") from Germyliumylidene","Journal of the American Chemical Society","2013","135","","5004","5007","10.1021/ja402477w","","","1.5418","CuKα","","0.0445","0.0376","","","0.1021","0.1083","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119556","8.242","0.006","8.242","0.006","11.584","0.01","90","","90","","90","","786.9","1.1","113","2","113","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Co K N8 -","- C10 H16 Co K N8 -","- C20 H32 Co2 K2 N16 -","2","0.125","","Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong","Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal","Journal of the American Chemical Society","2013","135","","5230","5233","10.1021/ja3110335","","","0.71073","MoKα","","0.0567","0.0565","","","0.119","0.1191","","","","","","1.369","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119557","8.2895","0.0013","8.2895","0.0013","11.621","0.003","90","","90","","90","","798.5","0.3","293","2","293","2","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C10 H16 Co K N8 -","- C10 H16 Co K N8 -","- C20 H32 Co2 K2 N16 -","2","0.125","","Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong","Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal","Journal of the American Chemical Society","2013","135","","5230","5233","10.1021/ja3110335","","","0.71073","MoKα","","0.0348","0.0344","","","0.0904","0.0906","","","","","","1.412","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119558","8.2371","0.0013","8.2371","0.0013","11.6","0.004","90","","90","","90","","787.1","0.3","113","2","113","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C10 H12 Co D4 K N8 -","- C10 H12 Co D4 K N8 -","- C20 H24 Co2 D8 K2 N16 -","2","0.125","","Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong","Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal","Journal of the American Chemical Society","2013","135","","5230","5233","10.1021/ja3110335","","","0.71073","MoKα","","0.0926","0.0926","","","0.198","0.198","","","","","","1.31","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119559","8.277","0.005","8.277","0.005","11.622","0.009","90","","90","","90","","796.2","0.9","280","2","280","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C10 H12 Co D4 K N8 -","- C10 H12 Co D4 K N8 -","- C20 H24 Co2 D8 K2 N16 -","2","0.125","","Wen Zhang; Heng-Yun Ye; Robert Graf; Hans W. Spiess; Ye-Feng Yao; Run-Qiang Zhu; Ren-Gen Xiong","Tunable and Switchable Dielectric Constant in an Amphidynamic Crystal","Journal of the American Chemical Society","2013","135","","5230","5233","10.1021/ja3110335","","","0.71073","MoKα","","0.0498","0.0487","","","0.117","0.1179","","","","","","1.228","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119560","7.0823","0.0011","10.4444","0.0015","22.098","0.003","90","","90","","90","","1634.6","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","06094","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C76 H76 N4 O16 -","4","1","","Elizabeth H. Krenske; Shuzhong He; Jian Huang; Yunfei Du; K. N. Houk; Richard P. Hsung","Intramolecular Oxyallyl-Carbonyl (3 + 2) Cycloadditions","Journal of the American Chemical Society","2013","135","","5242","5245","10.1021/ja312459b","","","0.71073","MoKα","","0.0327","0.0287","","","0.0672","0.069","","","","","","1.051","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119561","20.097","0.003","20.097","0.003","14.3196","0.0019","90","","90","","120","","5008.7","1.2","273","","273","","","","","","","","","5","P 32","P 32","145","","","","- C39 H37 N5 O3 Zn -","- C39.5 H38 N5.25 O3 Zn -","- C237 H228 N31.5 O18 Zn6 -","6","2","","Yoshinao Shinozaki; Gary Richards; Keizo Ogawa; Akihito Yamano; Kazuaki Ohara; Kentaro Yamaguchi; Shin-ichiro Kawano; Kentaro Tanaka; Yasuyuki Araki; Takehiko Wada; Joe Otsuki","Double Helices of a Pyridine-Appended Zinc Chlorophyll Derivative","Journal of the American Chemical Society","2013","135","","5262","5265","10.1021/ja400493e","","","0.71075","MoKα","","","0.0727","","","","0.212","","","","","","1.102","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119562","35.579","0.007","4.6135","0.0009","12.995","0.003","90","","105.18","0.03","90","","2058.6","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Br F N O2 -","- C10 H9 Br F N O2 -","- C80 H72 Br8 F8 N8 O16 -","8","1","","Xiaochen Ji; Huawen Huang; Wanqing Wu; Huanfeng Jiang","Palladium-Catalyzed Intermolecular Dehydrogenative Aminohalogenation of Alkenes under Molecular Oxygen: An Approach to Brominated Enamines","Journal of the American Chemical Society","2013","135","","5286","5289","10.1021/ja401034g","","","0.71073","MoKα","","0.0955","0.0436","","","0.0965","0.1219","","","","","","1.009","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119563","3.967213","0.000022","3.967213","0.000022","41.2847","0.0004","90","","90","","90","","649.771","0.008","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Bi3 O2 S3 -","- Bi3 O2 S3 -","- Bi12 O8 S12 -","4","0.125","","W. Adam Phelan; David C. Wallace; Kathryn E. Arpino; James R. Neilson; Kenneth J. Livi; Che R. Seabourne; Andrew J. Scott; Tyrel M. McQueen","Stacking Variants and Superconductivity in the Bi-O-S System","Journal of the American Chemical Society","2013","135","","5372","5374","10.1021/ja4011767","","","","","","","","","","","","","","","","","","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119564","16.7864","0.0002","18.5842","0.0003","18.8141","0.0003","90","","90","","90","","5869.28","0.15","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C35 H32 Br2 O2 -","- C35 H32 Br2 O2 -","- C280 H256 Br16 O16 -","8","1","","Chien-Tien Chen; Chien-Hsiang Chen; Tiow-Gan Ong","Complementary Helicity Interchange of Optically Switchable Supramolecular-Enantiomeric Helicenes with (-)-Gel-Sol-(+)-Gel Transition Ternary Logic","Journal of the American Chemical Society","2013","135","","5294","5297","10.1021/ja401214t","","","0.71073","MoKα","","0.1008","0.0556","","","0.128","0.1548","","","","","","1.166","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119565","13.7342","0.0013","19.8332","0.0018","21.935","0.002","90","","90","","90","","5974.9","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H38 N4 O6 S2 -","- C31 H38 N4 O6 S2 -","- C248 H304 N32 O48 S16 -","8","1","","Yan Yan; Saarangan Krishnakumar; Huan Yu; Srinivas Ramishetti; Lih-Wen Deng; Suhua Wang; Leaf Huang; Dejian Huang","Nickel(II) Dithiocarbamate Complexes Containing Sulforhodamine B as Fluorescent Probes for Selective Detection of Nitrogen Dioxide","Journal of the American Chemical Society","2013","135","","5312","5315","10.1021/ja401555y","","","0.71073","MoKα","","0.1413","0.1192","","","0.3023","0.3133","","","","","","1.06","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119566","12.613","0.002","19.375","0.003","14.109","0.002","90","","95.196","0.004","90","","3433.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 N4 O10 S2 -","- C31 H38 N4 O10 S2 -","- C124 H152 N16 O40 S8 -","4","1","","Yan Yan; Saarangan Krishnakumar; Huan Yu; Srinivas Ramishetti; Lih-Wen Deng; Suhua Wang; Leaf Huang; Dejian Huang","Nickel(II) Dithiocarbamate Complexes Containing Sulforhodamine B as Fluorescent Probes for Selective Detection of Nitrogen Dioxide","Journal of the American Chemical Society","2013","135","","5312","5315","10.1021/ja401555y","","","0.71073","MoKα","","0.1295","0.0913","","","0.2439","0.2683","","","","","","1.048","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119567","23.5047","0.0006","11.9644","0.0003","23.5149","0.0006","90","","90","","90","","6612.9","0.3","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C56 H102 Co N3 O S Si6 U -","- C56 H102 Co N3 O S Si6 U -","- C224 H408 Co4 N12 O4 S4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Guang Wu; Nikolas Kaltsoyannis; Trevor W. Hayton","Synthesis and Spectroscopic and Computational Characterization of the Chalcogenido-Substituted Analogues of the Uranyl Ion, [OUE]2+ (E = S, Se)","Journal of the American Chemical Society","2013","135","","5352","5355","10.1021/ja402068j","","","0.71073","MoKα","","0.0678","0.0532","","","0.1268","0.1385","","","","","","1.076","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119568","23.5018","0.0013","12.0015","0.0006","23.5553","0.0013","90","","90","","90","","6643.9","0.6","100","2","100","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C54 H104 Co N3 O2 Se Si6 U -","- C54 H104 Co N3 O2 Se Si6 U -","- C216 H416 Co4 N12 O8 Se4 Si24 U4 -","4","1","","Jessie L. Brown; Skye Fortier; Guang Wu; Nikolas Kaltsoyannis; Trevor W. Hayton","Synthesis and Spectroscopic and Computational Characterization of the Chalcogenido-Substituted Analogues of the Uranyl Ion, [OUE]2+ (E = S, Se)","Journal of the American Chemical Society","2013","135","","5352","5355","10.1021/ja402068j","","","0.71073","MoKα","","0.0808","0.0548","","","0.1424","0.1531","","","","","","1.144","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119569","11.0157","0.0003","15.1067","0.0003","16.2338","0.0004","88.58","0.001","84.525","0.001","73.109","0.002","2573.13","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H84 Co N3 O2 Si6 U -","- C38 H84 Co N3 O2 Si6 U -","- C76 H168 Co2 N6 O4 Si12 U2 -","2","1","","Jessie L. Brown; Skye Fortier; Guang Wu; Nikolas Kaltsoyannis; Trevor W. Hayton","Synthesis and Spectroscopic and Computational Characterization of the Chalcogenido-Substituted Analogues of the Uranyl Ion, [OUE]2+ (E = S, Se)","Journal of the American Chemical Society","2013","135","","5352","5355","10.1021/ja402068j","","","0.71073","MoKα","","0.0716","0.052","","","0.132","0.1457","","","","","","0.972","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119570","9.06579","0.00011","10.63399","0.00013","30.8521","0.0005","90","","90","","90","","2974.31","0.07","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H30 Fe N4 O4 -","- C35 H30 Fe N4 O4 -","- C140 H120 Fe4 N16 O16 -","4","1","","Qing-Hai Deng; Tim Bleith; Hubert Wadepohl; Lutz H. Gade","Enantioselective Iron-Catalyzed Azidation of β-Keto Esters and Oxindoles","Journal of the American Chemical Society","2013","135","","5356","5359","10.1021/ja402082p","","x-ray","1.5418","CuKα","","0.0485","0.0447","","","0.1251","0.1271","","","","","","1.077","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119571","5.82402","0.00008","22.0575","0.0004","8.42973","0.00012","90","","98.8603","0.0012","90","","1069.99","0.03","110","1","110","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Br2 N3 O3 -","- C22 H19 Br2 N3 O3 -","- C44 H38 Br4 N6 O6 -","2","1","","Qing-Hai Deng; Tim Bleith; Hubert Wadepohl; Lutz H. Gade","Enantioselective Iron-Catalyzed Azidation of β-Keto Esters and Oxindoles","Journal of the American Chemical Society","2013","135","","5356","5359","10.1021/ja402082p","","x-ray","1.5418","CuKα","","0.0257","0.0255","","","0.0666","0.0667","","","","","","1.075","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119572","12.1115","0.0004","12.3278","0.0003","12.5525","0.0004","90","","90","","90","","1874.19","0.1","110","1","110","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H14 Br F N4 O -","- C22 H14 Br F N4 O -","- C88 H56 Br4 F4 N16 O4 -","4","1","","Qing-Hai Deng; Tim Bleith; Hubert Wadepohl; Lutz H. Gade","Enantioselective Iron-Catalyzed Azidation of β-Keto Esters and Oxindoles","Journal of the American Chemical Society","2013","135","","5356","5359","10.1021/ja402082p","","x-ray","1.5418","CuKα","","0.0336","0.0335","","","0.0776","0.0776","","","","","","1.153","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119573","37.7722","0.0005","9.0101","0.0001","20.3354","0.0003","90","","100.158","0.0007","90","","6812.29","0.16","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","7","","","- C38 H48 S2 Zr -","- C38 H48 S2 Zr -","- C304 H384 S16 Zr8 -","8","1","","Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard","The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers","Journal of the American Chemical Society","2013","135","","5360","5363","10.1021/ja402242z","","","1.54178","CuKα","","0.0395","0.032","","","0.0833","0.0876","","","","","","1.025","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119574","14.9281","0.0005","20.0984","0.0006","12.9528","0.0004","90","","115.431","0.001","90","","3509.68","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1","","","- C37 H50 B2 O4 Zr -","- C37 H50 B2 O4 Zr -","- C148 H200 B8 O16 Zr4 -","4","1","","Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard","The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers","Journal of the American Chemical Society","2013","135","","5360","5363","10.1021/ja402242z","","","1.54178","CuKα","","0.0561","0.0524","","","0.134","0.1379","","","","","","1.034","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119575","19.435","0.002","7.3864","0.0008","16.1312","0.0017","90","","112.987","0.001","90","","2131.8","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2","","","- C20 H34 B2 O4 -","- C20 H34 B2 O4 -","- C80 H136 B8 O16 -","4","0.5","","Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard","The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers","Journal of the American Chemical Society","2013","135","","5360","5363","10.1021/ja402242z","","","0.71073","MoKα","","0.0549","0.0459","","","0.1258","0.1333","","","","","","1.074","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119576","12.6316","0.0002","12.3613","0.0002","27.6424","0.0005","90","","94.0824","0.0006","90","","4305.22","0.12","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3","","","- C20 H32 B2 O4 S -","- C20 H32 B2 O4 S -","- C160 H256 B16 O32 S8 -","8","1","","Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard","The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers","Journal of the American Chemical Society","2013","135","","5360","5363","10.1021/ja402242z","","","1.54178","CuKα","","0.0473","0.0469","","","0.131","0.1312","","","","","","1.159","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119577","12.6318","0.0007","12.3449","0.0007","27.8492","0.0016","90","","92.9904","0.0007","90","","4336.8","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4","","","- C20 H32 B2 O4 Se -","- C20 H32 B2 O4 Se -","- C160 H256 B16 O32 Se8 -","8","1","","Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard","The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers","Journal of the American Chemical Society","2013","135","","5360","5363","10.1021/ja402242z","","","0.71073","MoKα","","0.0312","0.0275","","","0.076","0.0776","","","","","","1.073","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119578","12.784","0.001","12.309","0.001","28.395","0.002","90","","91.269","0.001","90","","4467.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5","","","- C20 H32 B2 O4 Te -","- C20 H32 B2 O4 Te -","- C160 H256 B16 O32 Te8 -","8","1","","Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard","The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers","Journal of the American Chemical Society","2013","135","","5360","5363","10.1021/ja402242z","","","0.71073","MoKα","","0.0539","0.0355","","","0.0743","0.081","","","","","","1.041","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119579","14.2799","0.001","18.3957","0.0014","18.5282","0.0013","90","","94.541","0.002","90","","4851.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","michael055a","michael055a","","- C108 H128 B2 Mn2 N14 O2 S2 -","- C108 H128 B2 Mn2 N14 O2 S2 -","- C216 H256 B4 Mn4 N28 O4 S4 -","2","0.5","","Michael K. Coggins; Xianru Sun; Yeonju Kwak; Edward I. Solomon; Elena Rybak-Akimova; Julie A. Kovacs","Characterization of Metastable Intermediates Formed in the Reaction between a Mn(II) Complex and Dioxygen, Including a Crystallographic Structure of a Binuclear Mn(III)-Peroxo Species","Journal of the American Chemical Society","2013","135","","5631","5640","10.1021/ja311166u","","","0.71073","MoKα","","0.1419","0.0613","","","0.1252","0.1614","","","","","","1.002","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119580","27.191","0.011","39.825","0.015","20.852","0.008","90","","96.369","0.003","90","","22441","15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C199 H166.5 B8 F32 Fe4 N27.5 O12 -","- C199 H166.5 B4 F16 Fe4 N27.5 O12 -","- C796 H666 B16 F64 Fe16 N110 O48 -","4","1","","Shucong Ma; Maarten M. J. Smulders; Yana R. Hristova; Jack K. Clegg; Tanya K. Ronson; Salvatore Zarra; Jonathan R. Nitschke","Chain-Reaction Anion Exchange between Metal-Organic Cages","Journal of the American Chemical Society","2013","135","","5678","5684","10.1021/ja311882h","","","0.6889","synchrotron","","0.1613","0.131","","","0.3031","0.3206","","","","","","1.487","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119581","20.495","0.009","25.67","0.012","25.757","0.015","118.873","0.017","109.64","0.04","93.55","0.03","10755","11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C212 H193.5 Cl8 Fe4 N29.5 O45.5 -","- C212 H193.5 Cl8 Fe4 N29.5 O45.5 -","- C424 H387 Cl16 Fe8 N59 O91 -","2","1","","Shucong Ma; Maarten M. J. Smulders; Yana R. Hristova; Jack K. Clegg; Tanya K. Ronson; Salvatore Zarra; Jonathan R. Nitschke","Chain-Reaction Anion Exchange between Metal-Organic Cages","Journal of the American Chemical Society","2013","135","","5678","5684","10.1021/ja311882h","","","0.6889","synchrotron","","0.1577","0.0915","","","0.2288","0.2801","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119582","7.5624","0.0005","9.2132","0.0006","9.7011","0.0006","100.366","0.003","99.102","0.003","104.809","0.003","627.81","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 O22 S4 Sc3 -","- C14 H15 O22 S4 Sc3 -","- C14 H15 O22 S4 Sc3 -","1","0.5","","Richard F. D'Vries; Victor A. de la Peña-O'Shea; Natalia Snejko; Marta Iglesias; Enrique Gutiérrez-Puebla; M. Angeles Monge","H3O2 Bridging Ligand in a Metal-Organic Framework. Insight into the Aqua-Hydroxo\λeftarrow\ρightarrowHydroxyl Equilibrium: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2013","135","","5782","5792","10.1021/ja4005046","","","1.54178","CuKα","","0.0261","0.0252","","","0.0715","0.0721","","","","","","1.063","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119583","7.5148","0.0012","9.527","0.0015","10.2296","0.0016","69.198","0.002","85.365","0.003","82.458","0.003","678.25","0.19","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 O23.13 S4 Sc3 -","- C14 H16 O23.128 S4 Sc3 -","- C14 H16 O23.128 S4 Sc3 -","1","0.5","","Richard F. D'Vries; Victor A. de la Peña-O'Shea; Natalia Snejko; Marta Iglesias; Enrique Gutiérrez-Puebla; M. Angeles Monge","H3O2 Bridging Ligand in a Metal-Organic Framework. Insight into the Aqua-Hydroxo\λeftarrow\ρightarrowHydroxyl Equilibrium: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2013","135","","5782","5792","10.1021/ja4005046","","","0.71073","MoKα","","0.0441","0.0348","","","0.0844","0.0878","","","","","","1.073","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119584","7.7832","0.0002","9.7208","0.0002","11.6659","0.0003","65.874","0.001","80.743","0.001","84.443","0.001","794.57","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H11 O15 S2 Sc3 -","- C7 H11 O15 S2 Sc3 -","- C14 H22 O30 S4 Sc6 -","2","1","","Richard F. D'Vries; Victor A. de la Peña-O'Shea; Natalia Snejko; Marta Iglesias; Enrique Gutiérrez-Puebla; M. Angeles Monge","H3O2 Bridging Ligand in a Metal-Organic Framework. Insight into the Aqua-Hydroxo\λeftarrow\ρightarrowHydroxyl Equilibrium: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2013","135","","5782","5792","10.1021/ja4005046","","","1.54178","CuKα","","0.0355","0.0337","","","0.0954","0.0967","","","","","","1.056","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119585","15.1476","0.0016","9.9236","0.001","14.1593","0.0015","90","","102.873","0.002","90","","2074.9","0.4","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C19 H15 N2 O10 S2 Sc -","- C19 H15 N2 O10 S2 Sc -","- C76 H60 N8 O40 S8 Sc4 -","4","1","","Richard F. D'Vries; Victor A. de la Peña-O'Shea; Natalia Snejko; Marta Iglesias; Enrique Gutiérrez-Puebla; M. Angeles Monge","H3O2 Bridging Ligand in a Metal-Organic Framework. Insight into the Aqua-Hydroxo\λeftarrow\ρightarrowHydroxyl Equilibrium: A Combined Experimental and Theoretical Study","Journal of the American Chemical Society","2013","135","","5782","5792","10.1021/ja4005046","","","0.71073","MoKα","","0.126","0.069","","","0.1571","0.2018","","","","","","1.061","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119586","15.9922","0.0005","18.3461","0.0006","10.4644","0.0003","90","","97.504","0.003","90","","3043.9","0.16","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Cl5 N4 O2 Ru -","- C28 H29 Cl5 N4 O2 Ru -","- C112 H116 Cl20 N16 O8 Ru4 -","4","1","","Wai-Lun Man; Jianhui Xie; Yi Pan; William W. Y. Lam; Hoi-Ki Kwong; Kwok-Wa Ip; Shek-Man Yiu; Kai-Chung Lau; Tai-Chu Lau","C-N Bond Cleavage of Anilines by a (Salen)ruthenium(VI) Nitrido Complex","Journal of the American Chemical Society","2013","135","","5533","5536","10.1021/ja401553d","","","1.54184","CUKα","","0.0613","0.06","","","0.1642","0.1654","","","","","","1.058","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119587","21.483","0.005","8.784","0.002","20.851","0.005","90","","103.935","0.003","90","","3818.9","1.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H70 Cl2 Co2 N2 O2 P2 -","- C32 H70 Cl2 Co2 N2 O2 P2 -","- C128 H280 Cl8 Co8 N8 O8 P8 -","4","0.5","","Jeffrey Camacho-Bunquin; Michael J. Ferguson; Jeffrey M. Stryker","Hydrocarbon-Soluble Nanocatalysts with No Bulk Phase: Coplanar, Two-Coordinate Arrays of the Base Metals","Journal of the American Chemical Society","2013","135","","5537","5540","10.1021/ja401579x","","","0.71073","MoKα","","0.036","0.0305","","","0.0782","0.082","","","","","","1.037","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119588","23.424","0.002","12.8863","0.0011","23.816","0.002","90","","114.244","0.001","90","","6554.8","1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H124 Co3.34 N4 Na0.66 O2 P4 -","- C56 H124 Co3.342 N4 Na0.658 O2 P4 -","- C224 H496 Co13.368 N16 Na2.632 O8 P16 -","4","0.5","","Jeffrey Camacho-Bunquin; Michael J. Ferguson; Jeffrey M. Stryker","Hydrocarbon-Soluble Nanocatalysts with No Bulk Phase: Coplanar, Two-Coordinate Arrays of the Base Metals","Journal of the American Chemical Society","2013","135","","5537","5540","10.1021/ja401579x","","","0.71073","MoKα","","0.0835","0.054","","","0.131","0.1445","","","","","","1.048","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119589","23.4807","0.0017","12.8848","0.001","23.8905","0.0018","90","","114.193","0.001","90","","6593.1","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H124 N4 Ni4 O2 P4 -","- C56 H124 N4 Ni4 O2 P4 -","- C224 H496 N16 Ni16 O8 P16 -","4","0.5","","Jeffrey Camacho-Bunquin; Michael J. Ferguson; Jeffrey M. Stryker","Hydrocarbon-Soluble Nanocatalysts with No Bulk Phase: Coplanar, Two-Coordinate Arrays of the Base Metals","Journal of the American Chemical Society","2013","135","","5537","5540","10.1021/ja401579x","","","0.71073","MoKα","","0.0877","0.0657","","","0.1779","0.1906","","","","","","1.1","","","","has coordinates,has disorder","178966","2020-10-21","18:00:00",""
"4119590","19.8548","0.0014","19.8548","0.0014","10.2313","0.0007","90","","90","","90","","4033.3","0.5","123","2","123","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C76 H104 Al F24 O4 P2 -","- C76 H104 Al F24 O4 P2 -","- C152 H208 Al2 F48 O8 P4 -","2","0.25","","Xiaobo Pan; Yuanting Su; Xiaoyu Chen; Yue Zhao; Yizhi Li; Jinglin Zuo; Xinping Wang","Stable Tetraaryldiphosphine Radical Cation and Dication","Journal of the American Chemical Society","2013","135","","5561","5564","10.1021/ja402492u","","","0.71073","MoKα","","0.0798","0.0578","","","0.153","0.1563","","","","","","1.058","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119591","19.0707","0.0012","23.7279","0.0015","12.445","0.0013","90","","90","","90","","5631.5","0.8","123","2","123","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C60 H92 P2 -","- C60 H92 P2 -","- C240 H368 P8 -","4","1","","Xiaobo Pan; Yuanting Su; Xiaoyu Chen; Yue Zhao; Yizhi Li; Jinglin Zuo; Xinping Wang","Stable Tetraaryldiphosphine Radical Cation and Dication","Journal of the American Chemical Society","2013","135","","5561","5564","10.1021/ja402492u","","","0.71073","MoKα","","0.062","0.0555","","","0.1181","0.1191","","","","","","1.07","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119592","22.3334","0.0016","29.1146","0.0012","18.8388","0.0013","90","","90","","90","","12249.5","1.3","123","2","123","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C92 H92 Al2 F72 O8 P2 -","- C92 H92 Al2 F72 O8 P2 -","- C368 H368 Al8 F288 O32 P8 -","4","1","","Xiaobo Pan; Yuanting Su; Xiaoyu Chen; Yue Zhao; Yizhi Li; Jinglin Zuo; Xinping Wang","Stable Tetraaryldiphosphine Radical Cation and Dication","Journal of the American Chemical Society","2013","135","","5561","5564","10.1021/ja402492u","","","0.71073","MoKα","","0.0636","0.0581","","","0.1575","0.1589","","","","","","1.093","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119593","9.3958","0.0003","17.6638","0.0006","26.0979","0.0008","90","","90","","90","","4331.4","0.2","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H60 N4 O4 S2 -","- C39 H60 N4 O4 S2 -","- C156 H240 N16 O16 S8 -","4","1","","Jonathan T. Reeves; Zhulin Tan; Melissa A. Herbage; Zhengxu S. Han; Maurice A. Marsini; Zhibin Li; Guisheng Li; Yibo Xu; Keith R. Fandrick; Nina C. Gonnella; Scot Campbell; Shengli Ma; Nelu Grinberg; Heewon Lee; Bruce Z. Lu; Chris H. Senanayake","Carbamoyl Anion Addition to N-Sulfinyl Imines: Highly Diastereoselective Synthesis of α-Amino Amides","Journal of the American Chemical Society","2013","135","","5565","5568","10.1021/ja402647m","","","1.54178","","","0.0471","0.045","","","","0.1446","","","","","","1.0609","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119594","26.5023","0.0006","9.8829","0.0002","15.6531","0.0004","90","","106.367","0.001","90","","3933.71","0.16","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H57 Br N3 O3 S -","- C36 H56 Br N3 O3 S -","- C144 H224 Br4 N12 O12 S4 -","4","1","","Jonathan T. Reeves; Zhulin Tan; Melissa A. Herbage; Zhengxu S. Han; Maurice A. Marsini; Zhibin Li; Guisheng Li; Yibo Xu; Keith R. Fandrick; Nina C. Gonnella; Scot Campbell; Shengli Ma; Nelu Grinberg; Heewon Lee; Bruce Z. Lu; Chris H. Senanayake","Carbamoyl Anion Addition to N-Sulfinyl Imines: Highly Diastereoselective Synthesis of α-Amino Amides","Journal of the American Chemical Society","2013","135","","5565","5568","10.1021/ja402647m","","","1.54178","CuKα","","0.0707","0.0691","","","0.2031","0.2053","","","","","","1.017","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119595","7.2916","0.0001","7.2916","0.0001","7.2916","0.0001","90","","90","","90","","387.676","0.009","","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Fe4 O12 Y -","- Cu3 Fe4 O12 Y -","- Cu6 Fe8 O24 Y2 -","2","0.0833333","","Hidenobu Etani; Ikuya Yamada; Kenya Ohgushi; Naoaki Hayashi; Yoshihiro Kusano; Masaichiro Mizumaki; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Suppression of Intersite Charge Transfer in Charge-Disproportionated Perovskite YCu3Fe4O12","Journal of the American Chemical Society","2013","135","","6100","6106","10.1021/ja312015j","powder diffraction","","0.4994","","","0.0138","","","","","","0.01363","0.00815","0.836","","","","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119596","7.3077","0.0001","7.3077","0.0001","7.3077","0.0001","90","","90","","90","","390.249","0.009","","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Y -","- Cu3 Fe4 O12 Y -","- Cu6 Fe8 O24 Y2 -","2","0.0416667","","Hidenobu Etani; Ikuya Yamada; Kenya Ohgushi; Naoaki Hayashi; Yoshihiro Kusano; Masaichiro Mizumaki; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Suppression of Intersite Charge Transfer in Charge-Disproportionated Perovskite YCu3Fe4O12","Journal of the American Chemical Society","2013","135","","6100","6106","10.1021/ja312015j","powder diffraction","","0.4994","","","0.00944","","","","","","0.01097","0.00515","0.7635","","","","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119597","7.3227","0.0001","7.3227","0.0001","7.3227","0.0001","90","","90","","90","","392.657","0.009","450","","450","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Y -","- Cu3 Fe4 O12 Y -","- Cu6 Fe8 O24 Y2 -","2","0.0416667","","Hidenobu Etani; Ikuya Yamada; Kenya Ohgushi; Naoaki Hayashi; Yoshihiro Kusano; Masaichiro Mizumaki; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Suppression of Intersite Charge Transfer in Charge-Disproportionated Perovskite YCu3Fe4O12","Journal of the American Chemical Society","2013","135","","6100","6106","10.1021/ja312015j","powder diffraction","","0.4994","","","0.01525","","","","","","0.01521","0.01321","0.8803","","","","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119598","15.218","0.002","7.235","0.004","21.282","0.003","90","","95.068","0.004","90","","2334","1.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N4 O4 S2 -","- C22 H26 N4 O4 S2 -","- C88 H104 N16 O16 S8 -","4","1","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.0643","0.0407","","","0.1217","0.1607","","","","","","1.126","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119599","16.295","0.002","7.814","0.004","20.274","0.003","90","","93.692","0.004","90","","2576.1","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 O4 S2 -","- C24 H30 N4 O4 S2 -","- C96 H120 N16 O16 S8 -","4","1","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.0861","0.055","","","0.1387","0.1835","","","","","","0.972","","","","has coordinates","178966","2020-10-21","18:00:00",""
"4119600","29.028","0.006","7.6244","0.0015","25.456","0.005","90","","118.94","0.03","90","","4930","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 N4 O4 S2 -","- C23 H28 N4 O4 S2 -","- C184 H224 N32 O32 S16 -","8","1","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.078","0.0483","","","0.1409","0.2082","","","","","","1.2","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119601","9.108","0.0018","10.201","0.002","11.29","0.002","100.34","0.03","105.73","0.03","111.7","0.03","891.1","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H24 N2 O4 S -","- C17 H24 N2 O4 S -","- C34 H48 N4 O8 S2 -","2","1","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.0509","0.035","","","0.0878","0.1091","","","","","","1.126","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119602","13.418","0.005","6.623","0.002","13.418","0.005","90","","110.001","0.005","90","","1120.5","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N4 O4 S2 -","- C22 H26 N4 O4 S2 -","- C44 H52 N8 O8 S4 -","2","0.5","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.0502","0.0478","","","0.128","0.1301","","","","","","1.063","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119603","4.749","0.003","14.967","0.009","19.134","0.011","90","","90.573","0.01","90","","1359.9","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O6 S -","- C11 H14 N2 O6 S -","- C44 H56 N8 O24 S4 -","4","1","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.0691","0.0543","","","0.1293","0.1369","","","","","","1.002","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119604","12.234","0.002","9.017","0.004","13.423","0.003","90","","107.322","0.004","90","","1413.6","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2.89 H3.56 N0.44 O0.67 S0.22 -","- C2.88889 H3.77778 N0.444444 O0.666667 S0.222222 -","- C52 H68 N8 O12 S4 -","18","4.5","","Hai-Feng Su; Lan Xue; Yun-Hua Li; Shui-Chao Lin; Yi-Mei Wen; Rong-Bin Huang; Su-Yuan Xie; Lan-Sun Zheng","Probing Hydrogen Bond Energies by Mass Spectrometry","Journal of the American Chemical Society","2013","135","","6122","6129","10.1021/ja312133k","","","0.71073","MoKα","","0.0799","0.0492","","","0.1338","0.2012","","","","","","1.37","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119605","20.358","0.004","25.828","0.005","8.0684","0.0016","90","","90","","90","","4242.4","1.4","148","2","148","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","","","- C72 H76 Cl4 Fe4 N32 O20 -","- C72 H64 Cl4 Fe4 N32 O20 -","- C144 H128 Cl8 Fe8 N64 O40 -","2","0.25","","Yi-Tong Wang; Shu-Tao Li; Shu-Qi Wu; Ai-Li Cui; De-Zhong Shen; Hui-Zhong Kou","Spin Transitions in Fe(II) Metallogrids Modulated by Substituents, Counteranions, and Solvents","Journal of the American Chemical Society","2013","135","","5942","5945","10.1021/ja312622c","","","0.71073","MoKα","","0.1152","0.0842","","","0.2127","0.235","","","","","","1.081","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119606","23.685","0.003","23.685","0.003","23.685","0.003","100.291","0.017","100.291","0.017","100.291","0.017","12555","3","153","2","153","2","","","","","","","","7","R -3 c :R","-P 3* 2n","167","","","","- C64 H62 Br8 Cl4 Fe4 N32 O9 -","- C64 H40 Br8 Cl4 Fe4 N32 O9 -","- C384 H240 Br48 Cl24 Fe24 N192 O54 -","6","0.5","","Yi-Tong Wang; Shu-Tao Li; Shu-Qi Wu; Ai-Li Cui; De-Zhong Shen; Hui-Zhong Kou","Spin Transitions in Fe(II) Metallogrids Modulated by Substituents, Counteranions, and Solvents","Journal of the American Chemical Society","2013","135","","5942","5945","10.1021/ja312622c","","","0.71073","MoKα","","0.1402","0.1332","","","0.2793","0.2849","","","","","","1.021","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119607","21.262","0.004","25.265","0.005","8.0593","0.0016","90","","90","","90","","4329.3","1.5","153","2","153","2","","","","","","","","8","P m m n :2","-P 2ab 2a","59","","","","- C64 H58 B4 Br8 F16 Fe4 N32 O7 -","- C64 H44 B4 Br8 F16 Fe4 N32 O6 -","- C128 H88 B8 Br16 F32 Fe8 N64 O12 -","2","0.25","","Yi-Tong Wang; Shu-Tao Li; Shu-Qi Wu; Ai-Li Cui; De-Zhong Shen; Hui-Zhong Kou","Spin Transitions in Fe(II) Metallogrids Modulated by Substituents, Counteranions, and Solvents","Journal of the American Chemical Society","2013","135","","5942","5945","10.1021/ja312622c","","","0.71073","MoKα","","0.0804","0.0729","","","0.1709","0.1757","","","","","","1.124","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119608","9.8377","0.0005","10.7472","0.0005","13.5696","0.0006","72.737","0.001","89.977","0.001","64.191","0.001","1219.47","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Ni(7PPh2NPhOMe1)2](BF4)2","","","- C50 H56 B2 F8 N4 Ni O2 P4 -","- C50 H56 B2 F8 N4 Ni O2 P4 -","- C50 H56 B2 F8 N4 Ni O2 P4 -","1","0.5","","Michael P. Stewart; Ming-Hsun Ho; Stefan Wiese; Mary Lou Lindstrom; Colleen E. Thogerson; Simone Raugei; R. Morris Bullock; Monte L. Helm","High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine","Journal of the American Chemical Society","2013","135","","6033","6046","10.1021/ja400181a","","","0.71073","MoKα","","0.0552","0.0404","","","0.1047","0.1116","","","","","","1.107","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119609","9.527","0.0003","10.7718","0.0003","12.1475","0.0003","93.072","0.002","93.847","0.001","104.034","0.001","1203.53","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","[Ni(7PPh2NPhMe)2](BF4)2","","","- C50 H56 B2 F8 N4 Ni P4 -","- C50 H56 B2 F8 N4 Ni P4 -","- C50 H56 B2 F8 N4 Ni P4 -","1","0.5","","Michael P. Stewart; Ming-Hsun Ho; Stefan Wiese; Mary Lou Lindstrom; Colleen E. Thogerson; Simone Raugei; R. Morris Bullock; Monte L. Helm","High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine","Journal of the American Chemical Society","2013","135","","6033","6046","10.1021/ja400181a","","","0.71073","MoKα","","0.0516","0.0377","","","0.0909","0.0979","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119610","10.0496","0.0006","10.1294","0.0006","12.2373","0.0007","91.34","0.001","98.661","0.001","103.359","0.001","1195.99","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[Ni(7PPh2NPhBr1)2](BF4)2","","","- C48 H50 B2 Br2 F8 N4 Ni P4 -","- C48 H50 B2 Br2 F8 N4 Ni P4 -","- C48 H50 B2 Br2 F8 N4 Ni P4 -","1","0.5","","Michael P. Stewart; Ming-Hsun Ho; Stefan Wiese; Mary Lou Lindstrom; Colleen E. Thogerson; Simone Raugei; R. Morris Bullock; Monte L. Helm","High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine","Journal of the American Chemical Society","2013","135","","6033","6046","10.1021/ja400181a","","","0.71073","MoKα","","0.0466","0.0422","","","0.1177","0.1208","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119611","10.3125","0.0003","10.7683","0.0003","13.0776","0.0006","105.536","0.002","91.338","0.002","117.297","0.002","1225.11","0.08","173","2","173","2","","","","","","","","8","P -1","-P 1","2","[Ni(7PPh2NPhCl)2](BF4)2","","","- C48 H50 B2 Cl2 F8 N4 Ni P4 -","- C48 H50 B2 Cl2 F8 N4 Ni P4 -","- C48 H50 B2 Cl2 F8 N4 Ni P4 -","1","0.5","","Michael P. Stewart; Ming-Hsun Ho; Stefan Wiese; Mary Lou Lindstrom; Colleen E. Thogerson; Simone Raugei; R. Morris Bullock; Monte L. Helm","High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine","Journal of the American Chemical Society","2013","135","","6033","6046","10.1021/ja400181a","","","0.71073","MoKα","","0.0618","0.0444","","","0.1221","0.1304","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119612","10.102","0.0007","12.1935","0.0009","19.6115","0.0014","90","","97.294","0.002","90","","2396.2","0.3","297","","297","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 B2 F14 N2 Ni P4 -","- C46 H44 B2 F14 N2 Ni P4 -","- C92 H88 B4 F28 N4 Ni2 P8 -","2","0.5","","Michael P. Stewart; Ming-Hsun Ho; Stefan Wiese; Mary Lou Lindstrom; Colleen E. Thogerson; Simone Raugei; R. Morris Bullock; Monte L. Helm","High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine","Journal of the American Chemical Society","2013","135","","6033","6046","10.1021/ja400181a","","","0.71073","MoKα","","0.0624","0.0439","","","0.1158","0.13","","","","","","1.037","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119613","14.9673","0.0005","28.4151","0.0008","15.1131","0.0005","90","","94.181","0.003","90","","6410.5","0.4","180","2","180.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H104 F6 O6 P6 Pd2 S2 -","- C47 H104 F6 O6 P6 Pd2 S2 -","- C188 H416 F24 O24 P24 Pd8 S8 -","4","1","","Devendra J. Vyas; Evgeny Larionov; Céline Besnard; Laure Guénée; Clément Mazet","Isomerization of Terminal Epoxides by a [Pd-H] Catalyst: A Combined Experimental and Theoretical Mechanistic Study","Journal of the American Chemical Society","2013","135","","6177","6183","10.1021/ja400325w","","","1.54184","CuKα","","0.0926","0.0693","","","0.1845","0.206","","","","","","1.032","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119614","12.0528","0.0013","15.1077","0.0015","18.2869","0.0016","90","","94.605","0.005","90","","3319.1","0.6","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H42 Co N4 O4 -","- C37 H34 Co N4 O4 -","- C148 H136 Co4 N16 O16 -","4","0.5","","Yukiko Hayashi; Stefano Santoro; Yuki Azuma; Fahmi Himo; Takashi Ohshima; Kazushi Mashima","Enzyme-Like Catalysis via Ternary Complex Mechanism: Alkoxy-Bridged Dinuclear Cobalt Complex Mediates Chemoselective O-Esterification over N-Amidation","Journal of the American Chemical Society","2013","135","","6192","6199","10.1021/ja400367h","","","0.71075","MoKα","","","0.0425","","","","0.1116","","","","","","1.093","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119615","10.416","0.008","15.759","0.011","16.874","0.012","90","","94.919","0.006","90","","2760","3","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H68 Co2 N4 O6 -","- C60 H68 Co2 N4 O6 -","- C120 H136 Co4 N8 O12 -","2","0.5","","Yukiko Hayashi; Stefano Santoro; Yuki Azuma; Fahmi Himo; Takashi Ohshima; Kazushi Mashima","Enzyme-Like Catalysis via Ternary Complex Mechanism: Alkoxy-Bridged Dinuclear Cobalt Complex Mediates Chemoselective O-Esterification over N-Amidation","Journal of the American Chemical Society","2013","135","","6192","6199","10.1021/ja400367h","","","0.71075","MoKα","","","0.0937","","","","0.2485","","","","","","1.027","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119616","44.804","0.017","10.788","0.004","22.008","0.008","90","","110.26","0.004","90","","9979","6","113","","113","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H62 Co3 N4 O11 -","- C45 H62 Co3 N4 O11 -","- C360 H496 Co24 N32 O88 -","8","1","","Yukiko Hayashi; Stefano Santoro; Yuki Azuma; Fahmi Himo; Takashi Ohshima; Kazushi Mashima","Enzyme-Like Catalysis via Ternary Complex Mechanism: Alkoxy-Bridged Dinuclear Cobalt Complex Mediates Chemoselective O-Esterification over N-Amidation","Journal of the American Chemical Society","2013","135","","6192","6199","10.1021/ja400367h","","","0.71075","MoKα","","","0.0652","","","","0.1712","","","","","","1.046","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119617","14.077","0.003","13.289","0.003","15.271","0.004","90","","97.303","0.009","90","","2833.6","1.2","113","","113","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 Co N2 Na O6 -","- C25 H35 Co N2 Na O6 -","- C100 H140 Co4 N8 Na4 O24 -","4","1","","Yukiko Hayashi; Stefano Santoro; Yuki Azuma; Fahmi Himo; Takashi Ohshima; Kazushi Mashima","Enzyme-Like Catalysis via Ternary Complex Mechanism: Alkoxy-Bridged Dinuclear Cobalt Complex Mediates Chemoselective O-Esterification over N-Amidation","Journal of the American Chemical Society","2013","135","","6192","6199","10.1021/ja400367h","","","0.71075","MoKα","","","0.0945","","","","0.2479","","","","","","1.138","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119618","12.3731","0.0003","12.3731","0.0003","9.802","0.0004","90","","90","","120","","1299.58","0.07","293","2","293","2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C21 H27 F3 Si3 -","- C21 H27 F3 Si3 -","- C42 H54 F6 Si6 -","2","0.333333","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0743","0.0471","","","0.113","0.1259","","","","","","1.039","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119619","4.5919","0.0003","9.1244","0.0006","17.0661","0.0012","89.153","0.004","87.442","0.003","76.337","0.004","694.11","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 F3 I3 -","- C12 F3 I3 -","- C24 F6 I6 -","2","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","x-ray","0.71073","MoKα","","0.0251","0.021","","","0.0403","0.0482","","","","","","1.124","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119620","14.0574","0.0011","7.207","0.0006","18.6836","0.0014","90","","90","","90","","1892.9","0.3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H6 F3 I3 O S -","- C14 H6 F3 I3 O S -","- C56 H24 F12 I12 O4 S4 -","4","0.5","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","x-ray","0.71073","MoKα","","0.0273","0.0239","","","0.0633","0.0789","","","","","","1.213","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119621","10.0457","0.0002","21.6686","0.0005","12.9568","0.0003","90","","93.892","0.001","90","","2813.88","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 Cl3 F3 I4 S -","- C19 H16 Cl3 F3 I4 S -","- C76 H64 Cl12 F12 I16 S4 -","4","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","x-ray","0.71073","MoKα","","0.0423","0.0348","","","0.0912","0.1047","","","","","","1.104","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119622","10.9075","0.0005","12.2733","0.0005","21.5797","0.001","90","","95.915","0.002","90","","2873.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl3 F3 I4 N -","- C20 H19 Cl3 F3 I4 N -","- C80 H76 Cl12 F12 I16 N4 -","4","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0674","0.0574","","","0.1397","0.1452","","","","","","1.16","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119623","9.8382","0.0001","19.203","0.0004","16.0481","0.0003","90","","98.677","0.001","90","","2997.15","0.09","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 Br Cl3 F3 I3 N -","- C21 H21 Br Cl3 F3 I3 N -","- C84 H84 Br4 Cl12 F12 I12 N4 -","4","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.1026","0.0568","","","0.0975","0.1143","","","","","","1.077","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119624","11.5634","0.0002","14.162","0.0003","17.1705","0.0003","90","","97.554","0.001","90","","2787.45","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl3 F3 I4 N2 -","- C20 H16 Cl3 F3 I4 N2 -","- C80 H64 Cl12 F12 I16 N8 -","4","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0671","0.0374","","","0.077","0.0954","","","","","","1.165","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119625","8.6022","0.0002","26.1613","0.0007","13.6072","0.0003","90","","90.273","0.001","90","","3062.19","0.13","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 F3 I4 S -","- C24 H27 F3 I4 S -","- C96 H108 F12 I16 S4 -","4","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0334","0.0251","","","0.06","0.0758","","","","","","1.146","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119626","14.2433","0.0004","13.546","0.0004","17.5077","0.0004","90","","91.861","0.002","90","","3376.15","0.16","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H36 Br F3 I3 N -","- C28 H36 Br F3 I3 N -","- C112 H144 Br4 F12 I12 N4 -","4","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0586","0.0402","","","0.0819","0.0899","","","","","","1.058","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119627","15.3532","0.0006","15.7529","0.0006","16.7017","0.0006","62.904","0.001","62.941","0.002","61.705","0.001","3015.6","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H30 Cl F3 I3 N P2 -","- C48 H30 Cl F3 I3 N P2 -","- C96 H60 Cl2 F6 I6 N2 P4 -","2","1","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.0365","0.0307","","","0.1006","0.103","","","","","","1.115","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119628","8.8834","0.0001","21.3386","0.0004","25.8119","0.0005","90","","95.66","0.001","90","","4869.03","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Br F6 I6 N -","- C40 H36 Br F6 I6 N -","- C160 H144 Br4 F24 I24 N4 -","4","0.5","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.1123","0.0491","","","0.0769","0.0944","","","","","","1.069","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119629","11.7331","0.0006","15.225","0.001","25.0661","0.0016","90","","97.115","0.002","90","","4443.2","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H15 Br F6 I6 S -","- C42 H15 Br F6 I6 S -","- C168 H60 Br4 F24 I24 S4 -","4","0.5","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","x-ray","0.71073","MoKα","","0.0279","0.0228","","","0.0508","0.0532","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119630","22.573","0.005","22.573","0.005","22.573","0.005","90","0.005","90","0.005","90","0.005","11502","4","293","2","293","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","","","","- C24 Br F6 I6 -","- C24 Br F6 I6 -","- C192 Br8 F48 I48 -","8","0.166667","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","","0.71073","MoKα","","0.1167","0.0773","","","0.1902","0.2193","","","","","","1.173","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119631","22.431","0.0015","22.431","0.0015","22.431","0.0015","90","","90","","90","","11286.2","1.3","150","2","150","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C60 H30 F12 I14 S2 -","- C60 H9.9 F12 I14 S1.98 -","- C240 H39.6 F48 I56 S7.92 -","4","0.166667","","Julien Lieffrig; Olivier Jeannin; Marc Fourmigué","Expanded Halogen-Bonded Anion Organic Networks with Star-Shaped Iodoethynyl-Substituted Molecules: From Corrugated 2D Hexagonal Lattices to Pyrite-Type 2-Fold Interpenetrated Cubic Lattices","Journal of the American Chemical Society","2013","135","","6200","6210","10.1021/ja400740v","","x-ray","0.71073","MoKα","","0.101","0.0644","","","0.2187","0.2397","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119632","9.932","0.004","18.818","0.008","20.335","0.009","88.731","0.01","83.542","0.009","86.247","0.008","3768","3","228","2","228","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H64 Cd3 Cu2 N8 O24 -","- C104 H64 Cd3.164 Cu1.836 N8 O24 -","- C104 H64 Cd3.164 Cu1.836 N8 O24 -","1","0.5","","Zhenjie Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Stepwise Transformation of the Molecular Building Blocks in a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2013","135","","5982","5985","10.1021/ja4015666","","","1.54178","CuKα","","0.1151","0.0754","","","0.1723","0.1861","","","","","","0.841","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119633","9.915","0.008","18.65","0.014","20.341","0.016","88.702","0.015","84.514","0.015","85.703","0.013","3733","5","228","2","228","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H62 Cd4 Cu N8 O24 -","- C104 H62 Cd4 Cu0.978 N8 O24 -","- C104 H62 Cd4 Cu0.978 N8 O24 -","1","0.5","","Zhenjie Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Stepwise Transformation of the Molecular Building Blocks in a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2013","135","","5982","5985","10.1021/ja4015666","","","1.54178","CuKα","","0.0865","0.0653","","","0.1485","0.1562","","","","","","0.924","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119634","10.658","0.0007","18.4613","0.0012","21.092","0.0014","89.068","0.002","88.119","0.001","85.215","0.002","4133","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C109.59 H64 Cu9 N8 O35.85 -","- C109.586 H64 Cu9 N8 O35.8532 -","- C109.586 H64 Cu9 N8 O35.8532 -","1","0.5","","Zhenjie Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Stepwise Transformation of the Molecular Building Blocks in a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2013","135","","5982","5985","10.1021/ja4015666","","","0.41328","","","0.0802","0.0656","","","0.1769","0.185","","","","","","1.056","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119635","10.027","0.003","18.42","0.005","20.577","0.006","89.269","0.007","84.18","0.007","88.402","0.006","3779.3","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H66 Cd5 N8 O25 -","- C104 H64 Cd5 N8 O25 -","- C104 H64 Cd5 N8 O25 -","1","0.5","","Zhenjie Zhang; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","Stepwise Transformation of the Molecular Building Blocks in a Porphyrin-Encapsulating Metal-Organic Material","Journal of the American Chemical Society","2013","135","","5982","5985","10.1021/ja4015666","","","1.54178","CuKα","","0.0598","0.0458","","","0.1077","0.1124","","","","","","0.904","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119636","16.077","0.017","12.478","0.013","28.12","0.03","90","","90","","90","","5641","10","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","1","","","- C16 H32 Cl7 O4 W3 -","- C16 H32 Cl7 O4 W3 -","- C128 H256 Cl56 O32 W24 -","8","1","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.1752","0.1289","","","0.3048","0.3467","","","","","","1.127","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119637","9.124","0.005","11.422","0.006","17.699","0.01","90","","92.899","0.006","90","","1842.1","1.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3","","","- C16 H14 Cl4 O2 W -","- C16 H14 Cl4 O2 W -","- C64 H56 Cl16 O8 W4 -","4","1","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.045","0.0383","","","0.0884","0.0927","","","","","","1.155","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119638","12.7024","0.0017","21.299","0.003","10.4913","0.0015","90","","90","","90","","2838.4","0.7","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","4a","","","- C26 H36 Cl4 N2 W -","- C26 H36 Cl4 N2 W -","- C104 H144 Cl16 N8 W4 -","4","0.5","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.1223","0.1107","","","0.3289","0.3509","","","","","","1.552","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119639","24.17","0.016","11.478","0.007","40.79","0.03","90","","106.598","0.008","90","","10845","13","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4b","","","- C36 H40 Cl4 N2 W -","- C36 H40 Cl4 N2 W -","- C432 H480 Cl48 N24 W12 -","12","3","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.2597","0.1303","","","0.2998","0.3827","","","","","","1.025","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119640","8.8165","0.0008","25.7981","0.0018","18.9087","0.0019","90","","100.484","0.004","90","","4229","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","6","","","- C45 H57 Cl2 N2 O2 W -","- C45 H57 Cl2 N2 O2 W -","- C180 H228 Cl8 N8 O8 W4 -","4","1","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.0855","0.054","","","0.1094","0.1338","","","","","","1.142","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119641","11.85","0.004","12.83","0.004","25.097","0.008","80.947","0.01","83.188","0.009","74.034","0.006","3611","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","7","","","- C68 H93 Cl5 N5 W2 -","- C68 H93 Cl5 N5 W2 -","- C136 H186 Cl10 N10 W4 -","2","1","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.0593","0.0465","","","0.1138","0.1239","","","","","","1.063","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119642","15.775","0.005","12.396","0.004","18.177","0.006","90","","110.59","0.004","90","","3327.4","1.9","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","8","","","- C28 H24 Cl8 N4 O2 W -","- C28 H24 Cl8 N4 O2 W -","- C112 H96 Cl32 N16 O8 W4 -","4","1","","Hayato Tsurugi; Hiromasa Tanahashi; Haruka Nishiyama; Waldemar Fegler; Teruhiko Saito; Andreas Sauer; Jun Okuda; Kazushi Mashima","Salt-Free Reducing Reagent of Bis(trimethylsilyl)cyclohexadiene Mediates Multielectron Reduction of Chloride Complexes of W(VI) and W(IV)","Journal of the American Chemical Society","2013","135","","5986","5989","10.1021/ja401589a","","","0.71075","MoKα","","0.0484","0.0397","","","0.0887","0.0941","","","","","","1.045","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119643","7.8831","0.0011","40.986","0.007","10.2201","0.0013","90","","110.769","0.014","90","","3087.5","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 B F3 N4 -","- C32 H44 B F3 N4 -","- C128 H176 B4 F12 N16 -","4","1","","Guillaume Berionni; Varvara Morozova; Maximilian Heininger; Peter Mayer; Paul Knochel; Herbert Mayr","Electrophilic Aromatic Substitutions of Aryltrifluoroborates with Retention of the BF3- Group: Quantification of the Activating and Directing Effects of the Trifluoroborate Group","Journal of the American Chemical Society","2013","135","","6317","6324","10.1021/ja4017655","","","0.71073","MoKα","","0.1019","0.066","","","0.1459","0.1687","","","","","","1.028","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119644","27.4163","0.0011","5.8388","0.0002","15.6465","0.0007","90","","90.313","0.003","90","","2504.63","0.17","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 B F3 N2 -","- C12 H16 B F3 N2 -","- C96 H128 B8 F24 N16 -","8","1","","Guillaume Berionni; Varvara Morozova; Maximilian Heininger; Peter Mayer; Paul Knochel; Herbert Mayr","Electrophilic Aromatic Substitutions of Aryltrifluoroborates with Retention of the BF3- Group: Quantification of the Activating and Directing Effects of the Trifluoroborate Group","Journal of the American Chemical Society","2013","135","","6317","6324","10.1021/ja4017655","","","0.71073","MoKα","","0.0836","0.0671","","","0.1745","0.1861","","","","","","1.079","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119645","6.3733","0.0003","19.8556","0.0009","20.1032","0.0011","99.402","0.003","95.627","0.002","92.278","0.003","2493.7","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 B F2 N3 O3 -","- C27 H28 B F2 N3 O3 -","- C108 H112 B4 F8 N12 O12 -","4","2","","Guillaume Berionni; Varvara Morozova; Maximilian Heininger; Peter Mayer; Paul Knochel; Herbert Mayr","Electrophilic Aromatic Substitutions of Aryltrifluoroborates with Retention of the BF3- Group: Quantification of the Activating and Directing Effects of the Trifluoroborate Group","Journal of the American Chemical Society","2013","135","","6317","6324","10.1021/ja4017655","","","0.71073","MoKα","","0.1439","0.0625","","","0.1334","0.1577","","","","","","1.009","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119646","6.5675","0.0002","17.084","0.0005","21.3686","0.0007","90","","90","","90","","2397.54","0.13","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 B F3 N2 -","- C12 H14 B F3 N2 -","- C96 H112 B8 F24 N16 -","8","1","","Guillaume Berionni; Varvara Morozova; Maximilian Heininger; Peter Mayer; Paul Knochel; Herbert Mayr","Electrophilic Aromatic Substitutions of Aryltrifluoroborates with Retention of the BF3- Group: Quantification of the Activating and Directing Effects of the Trifluoroborate Group","Journal of the American Chemical Society","2013","135","","6317","6324","10.1021/ja4017655","","","0.71073","MoKα","","0.0546","0.0416","","","0.1039","0.1125","","","","","","1.035","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119647","10.014","0.002","13.054","0.003","13.797","0.003","67.11","0.03","77.01","0.03","84.97","0.03","1619","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,4-dimethylenebenzene) _ 4 PF6_ 4 CH3CN","","","- C50 H62 F24 N14 O4 P4 -","- C50 H62 F24 N14 O4 P4 -","- C50 H62 F24 N14 O4 P4 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.1193","0.0645","","","0.1351","0.2221","","","","","","1.024","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119648","12.125","0.002","16.355","0.003","27.163","0.005","90","","90","","90","","5386.5","1.7","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,2-dimethylenebenzene) _ 2 PF6_ 2 H2PO4_ 9.5 H2O","","","- C38 H48 F12 N10 O17.5 P4 -","- C38 H38 F12 N10 O17.5 P4 -","- C152 H152 F48 N40 O70 P16 -","4","1","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.126","0.0959","","","0.2042","0.2243","","","","","","0.961","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119649","9.0278","0.0018","26.585","0.005","11.142","0.002","90","","99.36","0.03","90","","2638.5","0.9","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,2-dimethylenebenzene) _ 4 PF6_ 2 CH3CN","","","- C42 H40 F24 N12 P4 -","- C42 H40 F24 N12 P4 -","- C84 H80 F48 N24 P8 -","2","0.5","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.1602","0.0876","","","0.1738","0.215","","","","","","0.985","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119650","11.2107","0.0004","9.4444","0.0003","22.9291","0.0009","90","","95.703","0.002","90","","2415.68","0.15","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,3-dimethylenebenzene) _4PF6_CH3CN","","","- C40 H37 F24 N11 P4 -","- C38 H34 F24 N10 P4 -","- C76 H68 F48 N20 P8 -","2","0.5","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.1374","0.0658","","","0.1395","0.1554","","","","","","1.151","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119651","11.185","0.0002","9.368","0.0002","22.828","0.0005","90","","93.936","0.001","90","","2386.3","0.08","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](2,6-dimethylenepyridinyl) _ 4PF6_ CH3CN","","","- C38 H35 F24 N13 P4 -","- C36 H32 F24 N12 P4 -","- C72 H64 F48 N24 P8 -","2","0.5","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.7107","MoKα","","0.1231","0.0586","","","0.1502","0.1694","","","","","","1.054","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119652","8.563","0.005","10.026","0.005","15.094","0.005","96.889","0.005","101.014","0.005","112.004","0.005","1152.9","1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](2,6-dimethylenepyridinyl) _ 4PF6","","","- C36 H32 F24 N12 P4 -","- C36 H32 F24 N12 P4 -","- C36 H32 F24 N12 P4 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71069","MoKα","","0.1705","0.084","","","0.1661","0.2079","","","","","","0.983","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119653","16.622","0.003","18.481","0.004","23.087","0.005","90","","107.8","0.03","90","","6753","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,3-dimethylenebenzene) _ 1.5 2,6naphthalene dicarboxylate_ OH_ 19 H2O","","","- C56 H83 N10 O26 -","- C56 H43 N10 O8 -","- C224 H172 N40 O32 -","4","1","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.1697","0.0983","","","0.2077","0.2266","","","","","","1.057","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119654","8.8588","0.0009","10.9908","0.001","12.615","0.0013","78.202","0.004","77.562","0.004","71.068","0.004","1122.44","0.19","153","2","153","2","","","","","","","","5","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,2-dimethylenebenzene) _ 4PF6","","","- C38 H34 F24 N10 P4 -","- C38 H34 F24 N10 P4 -","- C38 H34 F24 N10 P4 -","1","0.5","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.1326","0.0627","","","0.1286","0.1592","","","","","","1.003","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119655","14.084","0.003","14.242","0.003","19.099","0.004","93.1327","0.007","96.556","0.014","117.818","0.016","3340.6","1.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](1,2-dimethylenebenzene) _ 2 2,6naphthalene dicarboxylate_ 17 H2O","","","- C62 H80 N10 O25 -","- C62 H46 N10 O25 -","- C124 H92 N20 O50 -","2","1","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.2211","0.0927","","","0.1816","0.2711","","","","","","1.032","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119656","10.691","0.002","14.041","0.003","21.172","0.004","85.12","0.03","86.4","0.03","84.79","0.03","3148.7","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","cyclo[2](2,6-di(1H-imidazol-1-yl)pyridine)[2](2,6-dimethylenepyridinyl) _ 2 2,6naphthalene dicarboxylate_ 13.5 H2O","","","- C60 H71 N12 O21.5 -","- C60 H44 N12 O21.5 -","- C120 H88 N24 O43 -","2","1","","Han-Yuan Gong; Brett M. Rambo; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler","""Texas-Sized"" Molecular Boxes: Building Blocks for the Construction of Anion-Induced Supramolecular Species via Self-Assembly","Journal of the American Chemical Society","2013","135","","6330","6337","10.1021/ja401893w","","","0.71073","MoKα","","0.1359","0.0902","","","0.185","0.2113","","","","","","1.01","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119657","33.056","0.004","4.6392","0.0006","10.2004","0.0014","90","","99.452","0.003","90","","1543","0.3","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","N-(2-anthracenyl)-N'-(phenyl)-urea","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C84 H64 N8 O4 -","4","1","","Valeria Amendola; Greta Bergamaschi; Massimo Boiocchi; Luigi Fabbrizzi; Lorenzo Mosca","The Interaction of Fluoride with Fluorogenic Ureas: An ON1-OFF-ON2 Response","Journal of the American Chemical Society","2013","135","","6345","6355","10.1021/ja4019786","","","0.71073","MoKα","","0.0586","0.0436","","","0.0929","0.1016","","","","","","1.113","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119658","24.007","0.003","8.1804","0.0009","19.147","0.002","90","","108.695","0.002","90","","3561.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-anthracenyl)-N'-(phenyl)-urea tetrabutylammonium chloride hydrate","","- C37 H52.5 Cl N3 O1.25 -","- C37 H52 Cl N3 O1.25 -","- C148 H208 Cl4 N12 O5 -","4","1","","Valeria Amendola; Greta Bergamaschi; Massimo Boiocchi; Luigi Fabbrizzi; Lorenzo Mosca","The Interaction of Fluoride with Fluorogenic Ureas: An ON1-OFF-ON2 Response","Journal of the American Chemical Society","2013","135","","6345","6355","10.1021/ja4019786","","","0.71073","MoKα","","0.1834","0.0937","","","0.2371","0.298","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119659","8.8939","0.0008","19.0851","0.0017","44.15","0.004","90","","90","","90","","7494.1","1.2","293","2","293","2","","","","","","","","4","P b n 21","P 2c -2ab","33","","N-(1-pyrenyl)-N'-(phenyl)-urea tetrabutylammonium acetate","","- C41 H55 N3 O3 -","- C41 H55 N3 O3 -","- C328 H440 N24 O24 -","8","2","","Valeria Amendola; Greta Bergamaschi; Massimo Boiocchi; Luigi Fabbrizzi; Lorenzo Mosca","The Interaction of Fluoride with Fluorogenic Ureas: An ON1-OFF-ON2 Response","Journal of the American Chemical Society","2013","135","","6345","6355","10.1021/ja4019786","","","0.71073","MoKα","","0.1835","0.0754","","","0.1546","0.2128","","","","","","1.05","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119660","10.4186","0.0001","11.087","0.0001","13.087","0.0001","83.055","0.007","66.988","0.004","68.919","0.005","1297.93","0.06","113","2","113","2","","","","","","","synthesis as described","8","P -1","-P 1","2","[Ni(TP CF3Me)mCPBA]","[(3-Chloroperbenzoato){Hydrotris(5-methyl-3-(trifluoro) methylpyrazoryl)borato}nickel(II)]","","- C22 H17 B Cl F9 N6 Ni O3 -","- C22 H17 B Cl F9 N6 Ni O3 -","- C44 H34 B2 Cl2 F18 N12 Ni2 O6 -","2","1","","Jun Nakazawa; Shota Terada; Masaki Yamada; Shiro Hikichi","Structural Characterization and Oxidation Reactivity of a Nickel(II) Acylperoxo Complex","Journal of the American Chemical Society","2013","135","","6010","6013","10.1021/ja4020277","","","0.71073","MoKα","","0.0529","0.0469","","","0.1232","0.1271","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119661","8.698","0.005","13.345","0.007","17.896","0.01","90","","90","","90","","2077","2","113","2","113","2","","","","","","","synthesis as described","7","P c m n","-P 2n 2ac","62","[Ni(TPCF3,Me)Br]","[bromido{Hydrotris(5-methyl-3-(trifluoro)methyl- pyrazoryl)borato}nickel(II)]","","- C15 H13 B Br F9 N6 Ni -","- C15 H13 B Br F9 N6 Ni -","- C60 H52 B4 Br4 F36 N24 Ni4 -","4","0.5","","Jun Nakazawa; Shota Terada; Masaki Yamada; Shiro Hikichi","Structural Characterization and Oxidation Reactivity of a Nickel(II) Acylperoxo Complex","Journal of the American Chemical Society","2013","135","","6010","6013","10.1021/ja4020277","","","0.71073","MoKα","","0.0542","0.0506","","","0.1151","0.1194","","","","","","1.055","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119662","13.35","0.003","8.5172","0.0017","26.064","0.005","90","","94.212","0.003","90","","2955.6","1.1","113","2","113.15","","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","[Ni(TP CF3Me)mCBA] 0.5Toluene","[(3-Chlorobenzoato){Hydrotris(5-methyl-3-(trifluoro)methyl- pyrazoryl)borato}nickel(II)] 0.5 toluene","","- C25.5 H21 B Cl F9 N6 Ni O2 -","- C25.5 H17 B Cl F9 N6 Ni O2 -","- C102 H68 B4 Cl4 F36 N24 Ni4 O8 -","4","1","","Jun Nakazawa; Shota Terada; Masaki Yamada; Shiro Hikichi","Structural Characterization and Oxidation Reactivity of a Nickel(II) Acylperoxo Complex","Journal of the American Chemical Society","2013","135","","6010","6013","10.1021/ja4020277","","","0.71073","MoKα","","0.0712","0.0658","","","0.1584","0.1613","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119663","13.6034","0.0008","15.6211","0.0009","26.2197","0.0015","90","","90.55","0.004","90","","5571.4","0.6","135","","135","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H85 Co N3 O P3 Zr -","- C58 H85 Co N3 O P3 Zr -","- C232 H340 Co4 N12 O4 P12 Zr4 -","4","1","","Seth L. Marquard; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Stoichiometric C=O Bond Oxidative Addition of Benzophenone by a Discrete Radical Intermediate To Form a Cobalt(I) Carbene","Journal of the American Chemical Society","2013","135","","6018","6021","10.1021/ja4022683","","","0.71073","MoKα","","0.0951","0.0468","","0.0927","0.0801","0.0927","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119664","43.887","0.004","13.0471","0.0012","20.6865","0.0016","90","","97.893","0.005","90","","11732.8","1.8","135","","135","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60.5 H91 Co N3 O P3 Zr -","- C60.5 H91 Co N3 O P3 Zr -","- C484 H728 Co8 N24 O8 P24 Zr8 -","8","1","","Seth L. Marquard; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Stoichiometric C=O Bond Oxidative Addition of Benzophenone by a Discrete Radical Intermediate To Form a Cobalt(I) Carbene","Journal of the American Chemical Society","2013","135","","6018","6021","10.1021/ja4022683","","","0.71073","MoKα","","0.1202","0.0563","","0.1176","0.0995","0.1176","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119665","18.58","0.0006","12.2431","0.0004","24.1829","0.0007","90","","94.811","0.001","90","","5481.7","0.3","120","","120","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H82 Co N5 O P3 Si Zr -","- C51 H82 Co N5 O P3 Si Zr -","- C204 H328 Co4 N20 O4 P12 Si4 Zr4 -","4","1","","Seth L. Marquard; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Stoichiometric C=O Bond Oxidative Addition of Benzophenone by a Discrete Radical Intermediate To Form a Cobalt(I) Carbene","Journal of the American Chemical Society","2013","135","","6018","6021","10.1021/ja4022683","","","0.71073","MoKα","","0.0396","0.0297","","0.0796","0.0686","0.0796","","","","","","1.0061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119666","10.8445","0.0002","17.5706","0.0003","18.7237","0.0003","110.727","0.001","100.205","0.001","92.786","0.007","3259.9","0.11","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H59 B Cl2 F20 N P Zr -","- C71 H59 B Cl2 F20 N P Zr -","- C142 H118 B2 Cl4 F40 N2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.1017","0.0752","","","0.1524","0.1715","","","","","","1.066","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119667","10.6759","0.0002","15.4536","0.0003","19.3351","0.0005","84.321","0.001","82.779","0.002","83.515","0.002","3132.73","0.12","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H58 B F20 O P Zr -","- C70 H58 B F20 O P Zr -","- C140 H116 B2 F40 O2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.1081","0.0878","","","0.2203","0.2423","","","","","","1.097","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119668","13.9073","0.0002","14.3933","0.0002","19.6665","0.0003","72.517","0.001","85.337","0.001","77.455","0.001","3664.64","0.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H70 B F20 O P Zr -","- C85 H70 B F20 O P Zr -","- C170 H140 B2 F40 O2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0642","0.0528","","","0.1118","0.1212","","","","","","1.06","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119669","13.8374","0.0004","14.5871","0.0005","21.9553","0.0008","86.185","0.001","88.823","0.001","77.638","0.002","4319.2","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C91 H74 B F20 O P Zr -","- C91 H74 B F20 O P Zr -","- C182 H148 B2 F40 O2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.1082","0.0817","","","0.1793","0.1926","","","","","","1.095","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119670","13.0151","0.0002","14.7358","0.0002","19.3515","0.0003","72.626","0.001","73.566","0.001","82.426","0.001","3392.81","0.09","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H58 B Cl2 F20 O P Zr -","- C76 H58 B Cl2 F20 O P Zr -","- C152 H116 B2 Cl4 F40 O2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0665","0.0525","","","0.1064","0.1158","","","","","","1.054","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119671","10.8271","0.0002","17.5768","0.0003","18.7712","0.0003","110.892","0.001","100.261","0.001","92.846","0.001","3259.05","0.1","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C71 H59 B Cl2 F20 N P Zr -","- C71 H59 B Cl2 F20 N P Zr -","- C142 H118 B2 Cl4 F40 N2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.1031","0.0783","","","0.1771","0.1973","","","","","","1.111","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119672","14.2433","0.0001","32.573","0.0003","15.0069","0.0002","90","","103.477","0.001","90","","6770.69","0.12","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H67 B F20 N P Zr -","- C75 H67 B F20 N P Zr -","- C300 H268 B4 F80 N4 P4 Zr4 -","4","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0596","0.0472","","","0.0995","0.1085","","","","","","1.089","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119673","10.7932","0.0003","18.4658","0.0005","19.7558","0.0006","105.168","0.001","99.567","0.001","92.603","0.002","3731.02","0.19","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C71 H59 B Cl2 F20 N O P Zr -","- C71 H59 B Cl2 F20 N O P Zr -","- C142 H118 B2 Cl4 F40 N2 O2 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0948","0.077","","","0.1865","0.1976","","","","","","1.061","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119674","10.6552","0.0002","16.3512","0.0002","18.5198","0.0003","91.707","0.001","91.971","0.001","104.075","0.001","3125.47","0.09","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H48 B F20 O2 P Zr -","- C66 H48 B F20 O2 P Zr -","- C132 H96 B2 F40 O4 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0526","0.0464","","","0.1181","0.1225","","","","","","1.046","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119675","40.5492","0.0006","14.9195","0.0002","24.7606","0.0004","90","","99.432","0.001","90","","14777","0.4","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C79 H69 B F20 N3 P Zr -","- C79 H69 B F20 N3 P Zr -","- C632 H552 B8 F160 N24 P8 Zr8 -","8","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0604","0.0474","","","0.1157","0.1232","","","","","","1.078","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119676","10.8133","0.0002","14.3998","0.0002","15.2987","0.0004","77.974","0.001","86.094","0.001","83.647","0.001","2313.07","0.08","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H38.75 B Cl0.25 F20 O Zr -","- C48 H38.727 B Cl0.273 F20 O Zr -","- C96 H77.454 B2 Cl0.546 F40 O2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0693","0.0559","","","0.1065","0.1159","","","","","","1.095","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119677","13.9278","0.0005","15.0219","0.0004","16.8483","0.0007","70.762","0.002","78.877","0.002","70.199","0.002","3118.3","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H51 B Cl3 F20 P Zr -","- C66 H51 B Cl3 F20 P Zr -","- C132 H102 B2 Cl6 F40 P2 Zr2 -","2","1","","Xin Xu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reactions of a Cationic Geminal Zr+/P Pair with Small Molecules","Journal of the American Chemical Society","2013","135","","6465","6476","10.1021/ja3110076","","","0.71073","MoKα","","0.0465","0.0414","","","0.0974","0.1032","","","","","","1.066","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119678","10.0528","0.0001","10.0528","0.0001","28.2357","0.0004","90","","90","","90","","2853.47","0.06","100","2","100","2","","","","","","","","7","P 43","P 4cw","78","Manganese(II) N4Py triflate","","","- C25 H21 F6 Mn N5 O6 S2 -","- C25 H21 F6 Mn N5 O6 S2 -","- C100 H84 F24 Mn4 N20 O24 S8 -","4","1","","Junying Chen; Yong-Min Lee; Katherine M. Davis; Xiujuan Wu; Mi Sook Seo; Kyung-Bin Cho; Heejung Yoon; Young Jun Park; Shunichi Fukuzumi; Yulia N. Pushkar; Wonwoo Nam","A Mononuclear Non-Heme Manganese(IV)-Oxo Complex Binding Redox-Inactive Metal Ions","Journal of the American Chemical Society","2013","135","","6388","6391","10.1021/ja312113p","","","0.71073","MoKα","","0.0557","0.0514","","","0.1296","0.1328","","","","","","1.04","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119679","8.4884","0.0002","34.9745","0.0009","9.4939","0.0003","90","","102.233","0.0013","90","","2754.53","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F3 N O2 -","- C13 H16 F2.9985 N O2 -","- C104 H128 F23.988 N8 O16 -","8","2","","Roland Appel; Saloua Chelli; Takahiro Tokuyasu; Konstantin Troshin; Herbert Mayr","Electrophilicities of Benzaldehyde-Derived Iminium Ions: Quantification of the Electrophilic Activation of Aldehydes by Iminium Formation","Journal of the American Chemical Society","2013","135","","6579","6587","10.1021/ja401106x","","","0.71073","MoKα","","0.1138","0.0862","","","0.1896","0.2053","","","","","","1.044","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119680","13.9621","0.001","12.8717","0.0002","13.3016","0.0002","90","","90","","90","","2390.51","0.18","85","2","85","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H22 Cl2 N3 O0.5 Pd -","- C28 H22.01 Cl2 N3 O0.5 Pd -","- C112 H88.04 Cl8 N12 O2 Pd4 -","4","0.5","","Ansis Maleckis; Jeff W. Kampf; Melanie S. Sanford","A Detailed Study of Acetate-Assisted C-H Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2013","135","","6618","6625","10.1021/ja401557m","","","1.54178","CuKα","","0.0221","0.0219","","","0.0548","0.0549","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119681","13.5583","0.0003","12.5698","0.0002","17.5426","0.0012","90","","103.335","0.007","90","","2909.1","0.2","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Br4 I N3 Pd -","- C28 H22 Br4 I N3 Pd -","- C112 H88 Br16 I4 N12 Pd4 -","4","1","","Ansis Maleckis; Jeff W. Kampf; Melanie S. Sanford","A Detailed Study of Acetate-Assisted C-H Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2013","135","","6618","6625","10.1021/ja401557m","","","1.54178","CuKα","","0.0253","0.0251","","","0.0588","0.0589","","","","","","1.126","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119682","9.3934","0.0002","14.7202","0.0003","17.5207","0.0012","90","","101.232","0.007","90","","2376.23","0.19","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 I N3 Pd -","- C28 H22 I N3 Pd -","- C112 H88 I4 N12 Pd4 -","4","1","","Ansis Maleckis; Jeff W. Kampf; Melanie S. Sanford","A Detailed Study of Acetate-Assisted C-H Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2013","135","","6618","6625","10.1021/ja401557m","","","1.54178","CuKα","","0.0329","0.032","","","0.0825","0.0832","","","","","","1.063","","","","has coordinates,has disorder","178967","2020-10-21","18:00:00",""
"4119683","13.934","0.0003","12.6639","0.0002","15.8661","0.0011","90","","92.745","0.007","90","","2796.5","0.2","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Cl4 I N3 Pd -","- C28 H22 Cl4 I N3 Pd -","- C112 H88 Cl16 I4 N12 Pd4 -","4","1","","Ansis Maleckis; Jeff W. Kampf; Melanie S. Sanford","A Detailed Study of Acetate-Assisted C-H Activation at Palladium(IV) Centers","Journal of the American Chemical Society","2013","135","","6618","6625","10.1021/ja401557m","","","1.54178","CuKα","","0.0257","0.0253","","","0.0592","0.0603","","","","","","1.105","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119684","7.4169","0.0002","14.7477","0.0004","17.088","0.0004","90","","99.356","0.001","90","","1844.26","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MB-V-8","complex5","","- C21 H22 Cl F N Rh -","- C21 H22 Cl F N Rh -","- C84 H88 Cl4 F4 N4 Rh4 -","4","1","","Mikaël Brasse; Juan Cámpora; Jonathan A. Ellman; Robert G. Bergman","Mechanistic Study of the Oxidative Coupling of Styrene with 2-Phenylpyridine Derivatives Catalyzed by Cationic Rhodium(III) via C-H Activation","Journal of the American Chemical Society","2013","135","","6427","6430","10.1021/ja401561q","","","0.71073","MoKα","","0.0202","0.0183","","","0.0456","0.0556","","","","","","1.165","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119685","8.509","0.008","10.249","0.01","14.352","0.014","82.064","0.013","80.277","0.013","83.692","0.011","1217","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MB-V-48","complex6","","- C28 H35 F N O2 Rh -","- C28 H35 F N O2 Rh -","- C56 H70 F2 N2 O4 Rh2 -","2","1","","Mikaël Brasse; Juan Cámpora; Jonathan A. Ellman; Robert G. Bergman","Mechanistic Study of the Oxidative Coupling of Styrene with 2-Phenylpyridine Derivatives Catalyzed by Cationic Rhodium(III) via C-H Activation","Journal of the American Chemical Society","2013","135","","6427","6430","10.1021/ja401561q","","","0.71073","MoKα","","0.0816","0.0639","","","0.1409","0.1503","","","","","","1.059","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119686","8.4208","0.0006","11.1142","0.0008","14.2048","0.001","92.386","0.003","97.506","0.003","98.759","0.003","1300.1","0.16","100","2","100","2","","","","","","","","7","P 1","P 1","1","MB-V-47","complex7","","- C25 H30 F7 N O Rh Sb -","- C25 H30 F7 N O Rh Sb -","- C50 H60 F14 N2 O2 Rh2 Sb2 -","2","2","","Mikaël Brasse; Juan Cámpora; Jonathan A. Ellman; Robert G. Bergman","Mechanistic Study of the Oxidative Coupling of Styrene with 2-Phenylpyridine Derivatives Catalyzed by Cationic Rhodium(III) via C-H Activation","Journal of the American Chemical Society","2013","135","","6427","6430","10.1021/ja401561q","","","0.71073","MoKα","","0.0328","0.03","","","0.0681","0.0766","","","","","","1.087","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119687","8.6861","0.0012","10.7322","0.0014","13.5895","0.0018","86.896","0.006","85.075","0.006","79.653","0.006","1240.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MB-V-49","complex9","","- C23 H25 F7 N2 Rh Sb -","- C23 H25 F7 N2 Rh Sb -","- C46 H50 F14 N4 Rh2 Sb2 -","2","1","","Mikaël Brasse; Juan Cámpora; Jonathan A. Ellman; Robert G. Bergman","Mechanistic Study of the Oxidative Coupling of Styrene with 2-Phenylpyridine Derivatives Catalyzed by Cationic Rhodium(III) via C-H Activation","Journal of the American Chemical Society","2013","135","","6427","6430","10.1021/ja401561q","","","0.71073","MoKα","","0.0452","0.0301","","","0.0609","0.0665","","","","","","1.037","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4119688","13.3629","0.0011","13.2614","0.0011","15.0885","0.0012","90","","104.043","0.004","90","","2593.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","MB-V-50","complex10","","- C24 H31 F7 N P Rh Sb -","- C24 H31 F7 N P Rh Sb -","- C96 H124 F28 N4 P4 Rh4 Sb4 -","4","1","","Mikaël Brasse; Juan Cámpora; Jonathan A. Ellman; Robert G. Bergman","Mechanistic Study of the Oxidative Coupling of Styrene with 2-Phenylpyridine Derivatives Catalyzed by Cationic Rhodium(III) via C-H Activation","Journal of the American Chemical Society","2013","135","","6427","6430","10.1021/ja401561q","","","1.54178","CuKα","","0.0559","0.0552","","","0.1243","0.1246","","","","","","1.336","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4119689","26.5937","0.0011","26.5937","0.0011","5.1462","0.0002","90","","90","","90","","3639.5","0.3","100","2","100","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C18 H12 N2 O3 Zn -","- C18 H12 N2 O3 Zn -","- C144 H96 N16 O24 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0443","0.0395","","","0.1089","0.1116","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119690","26.5112","0.0009","26.5112","0.0009","5.2351","0.0002","90","","90","","90","","3679.5","0.2","190","2","190","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C18 H11 N2 O3 Zn -","- C18 H11 N2 O3 Zn -","- C144 H88 N16 O24 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0496","0.0439","","","0.125","0.1296","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119691","26.4574","0.0009","26.4574","0.0009","5.2854","0.0002","90","","90","","90","","3699.7","0.2","280","2","280","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C18 H11 N2 O3 Zn -","- C18 H11 N2 O3 Zn -","- C144 H88 N16 O24 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.051","0.0457","","","0.1332","0.1379","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119692","26.4366","0.0009","26.4366","0.0009","5.3287","0.0002","90","","90","","90","","3724.2","0.2","370","2","370","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C18 H11 N2 O3 Zn -","- C18 H11 N2 O3 Zn -","- C144 H88 N16 O24 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0666","0.0589","","","0.1558","0.1609","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119693","26.772","0.002","26.772","0.002","5.0662","0.0004","90","","90","","90","","3631.1","0.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","MOF-150","","","- C19 H15 N2 O4 Zn -","- C19 H15 N2 O4 Zn -","- C152 H120 N16 O32 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0357","0.0338","","","0.0891","0.0905","","","","","","1.055","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119694","26.713","0.004","26.713","0.004","5.0883","0.0008","90","","90","","90","","3630.9","1","100","2","100","2","","","","","","","","5","I -4","I -4","82","MOF-150 (ethanol)","","","- C20 H17 N2 O4 Zn -","- C20 H17 N2 O4 Zn -","- C160 H136 N16 O32 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0551","0.0469","","","0.1129","0.1178","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119695","26.742","0.004","26.742","0.004","5.1504","0.0008","90","","90","","90","","3683.2","1","101","2","101","2","","","","","","","","5","I -4","I -4","82","MOF-150 (n-propanol)","","","- C21 H19 N2 O4 Zn -","- C21 H19 N2 O4 Zn -","- C168 H152 N16 O32 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0393","0.0368","","","0.095","0.0968","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119696","26.1918","0.0019","26.1918","0.0019","5.396","0.0004","90","","90","","90","","3701.7","0.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","MOF-150 (iso-propanol)","","","- C21 H19 N2 O4 Zn -","- C21 H19 N2 O4 Zn -","- C168 H152 N16 O32 Zn8 -","8","1","","Ilne Grobler; Vincent J. Smith; Prashant M. Bhatt; Simon A. Herbert; Leonard J. Barbour","Tunable Anisotropic Thermal Expansion of a Porous Zinc(II) Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","6411","6414","10.1021/ja401671p","","","0.71073","MoKα","","0.0483","0.0453","","","0.1224","0.1238","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119697","5.7172","0.0012","10.941","0.002","15.717","0.003","90","","92.598","0.003","90","","982.1","0.3","183","2","183","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 O4 S -","- C24 H22 O4 S -","- C48 H44 O8 S2 -","2","1","","Scott E. Denmark; Alex Jaunet","Catalytic, Enantioselective, Intramolecular Carbosulfenylation of Olefins","Journal of the American Chemical Society","2013","135","","6419","6422","10.1021/ja401867b","","","0.71073","MoKα","","0.0434","0.0358","","","0.0798","0.0847","","","","","","1.049","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119698","16.4701","0.0008","26.2361","0.0011","20.4873","0.0008","90","","113.624","0.005","90","","8110.9","0.7","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C150 H128 Ag4 Au8 B6 Cl4 F24 N14 P8 -","- C150 H128 Ag4 Au8 B6 Cl4 F24 N14 P8 -","- C300 H256 Ag8 Au16 B12 Cl8 F48 N28 P16 -","2","0.5","","Xiao-Li Pei; Yang Yang; Zhen Lei; Quan-Ming Wang","Geminal Tetraauration of Acetonitrile: Hemilabile-Phosphine-Stabilized Au8Ag4 Cluster Compounds","Journal of the American Chemical Society","2013","135","","6435","6437","10.1021/ja402352c","","","0.71073","MoKα","","0.0899","0.0501","","","0.1074","0.1292","","","","","","1.063","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119699","15.7499","0.0005","17.0792","0.0004","31.1378","0.0011","90","","90.373","0.003","90","","8375.8","0.4","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C156 H145 Ag4 Au8 B6 F24 N14 O4 P8 -","- C156 H134 Ag4 Au8 B6 F24 N14 O4 P8 -","- C312 H268 Ag8 Au16 B12 F48 N28 O8 P16 -","2","0.5","","Xiao-Li Pei; Yang Yang; Zhen Lei; Quan-Ming Wang","Geminal Tetraauration of Acetonitrile: Hemilabile-Phosphine-Stabilized Au8Ag4 Cluster Compounds","Journal of the American Chemical Society","2013","135","","6435","6437","10.1021/ja402352c","","","0.71073","MoKα","","0.1328","0.0893","","","0.1495","0.17","","","","","","1.105","","","","has coordinates","178967","2020-10-21","18:00:00",""
"4119700","9.2597","0.0008","9.8798","0.0007","20.4814","0.0013","79.223","0.006","84.675","0.006","67.747","0.007","1703.1","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H55 Cl Fe N2 P4 Si -","- C27 H55 Cl Fe N2 P4 Si -","- C54 H110 Cl2 Fe2 N4 P8 Si2 -","2","1","","Burgert Blom; Stephan Enthaler; Shigeyoshi Inoue; Elisabeth Irran; Matthias Driess","Electron-Rich N-Heterocyclic Silylene (NHSi)-Iron Complexes: Synthesis, Structures, and Catalytic Ability of an Isolable Hydridosilylene-Iron Complex","Journal of the American Chemical Society","2013","135","","6703","6713","10.1021/ja402480v","","","0.71073","MoKα","","0.059","0.0438","","","0.0842","0.09","","","","","","1.045","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119701","36.85","0.005","9.3961","0.0005","23.976","0.003","90","","123.614","0.016","90","","6913.5","1.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H58 Fe N2 P4 Si -","- C28 H58 Fe N2 P4 Si -","- C224 H464 Fe8 N16 P32 Si8 -","8","1","","Burgert Blom; Stephan Enthaler; Shigeyoshi Inoue; Elisabeth Irran; Matthias Driess","Electron-Rich N-Heterocyclic Silylene (NHSi)-Iron Complexes: Synthesis, Structures, and Catalytic Ability of an Isolable Hydridosilylene-Iron Complex","Journal of the American Chemical Society","2013","135","","6703","6713","10.1021/ja402480v","","","0.71073","MoKα","","0.1278","0.1083","","","0.2252","0.2337","","","","","","1.181","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119702","24.019","0.0012","15.0889","0.0008","9.4039","0.0005","90","","90","","90","","3408.2","0.3","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H56 Fe N2 P4 Si -","- C27 H56 Fe N2 P4 Si -","- C108 H224 Fe4 N8 P16 Si4 -","4","1","","Burgert Blom; Stephan Enthaler; Shigeyoshi Inoue; Elisabeth Irran; Matthias Driess","Electron-Rich N-Heterocyclic Silylene (NHSi)-Iron Complexes: Synthesis, Structures, and Catalytic Ability of an Isolable Hydridosilylene-Iron Complex","Journal of the American Chemical Society","2013","135","","6703","6713","10.1021/ja402480v","","","0.71073","MoKα","","0.0793","0.0731","","","0.1699","0.1737","","","","","","1.141","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119703","9.3688","0.0002","15.7662","0.0004","19.2029","0.0006","90","","92.351","0.002","90","","2834.08","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 F6 -","- C38 H24 F6 -","- C152 H96 F24 -","4","1","","Sanyo M. Mathew; James T. Engle; Christopher J. Ziegler; C. Scott Hartley","The Role of Arene-Arene Interactions in the Folding of ortho-Phenylenes","Journal of the American Chemical Society","2013","135","","6714","6722","10.1021/ja4026006","","","1.54178","CuKα","","0.0499","0.0389","","","0.0928","0.0982","","","","","","1.021","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119704","8.894","0.004","16.142","0.008","18.242","0.009","90","","92.309","0.006","90","","2617","2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 -","- C38 H30 -","- C152 H120 -","4","1","","Sanyo M. Mathew; James T. Engle; Christopher J. Ziegler; C. Scott Hartley","The Role of Arene-Arene Interactions in the Folding of ortho-Phenylenes","Journal of the American Chemical Society","2013","135","","6714","6722","10.1021/ja4026006","","","0.71073","MoKα","","0.0618","0.0464","","","0.1186","0.1303","","","","","","1.038","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119705","19.116","0.007","8.748","0.003","19.44","0.007","90","","115.425","0.004","90","","2936","1.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 N2 -","- C40 H36 N2 -","- C160 H144 N8 -","4","1","","Sanyo M. Mathew; James T. Engle; Christopher J. Ziegler; C. Scott Hartley","The Role of Arene-Arene Interactions in the Folding of ortho-Phenylenes","Journal of the American Chemical Society","2013","135","","6714","6722","10.1021/ja4026006","","","0.71073","MoKα","","0.0545","0.0429","","","0.1121","0.1231","","","","","","1.032","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119706","9.651","0.003","10.5","0.003","14.641","0.005","100.437","0.004","96.487","0.004","109.124","0.003","1354.7","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H24 N2 O4 -","- C36 H24 N2 O4 -","- C72 H48 N4 O8 -","2","1","","Sanyo M. Mathew; James T. Engle; Christopher J. Ziegler; C. Scott Hartley","The Role of Arene-Arene Interactions in the Folding of ortho-Phenylenes","Journal of the American Chemical Society","2013","135","","6714","6722","10.1021/ja4026006","","","0.71073","MoKα","","0.0464","0.0399","","","0.1073","0.1138","","","","","","1.012","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119707","10.4886","0.0002","14.3224","0.0003","21.3093","0.0005","90","","94.702","0.001","90","","3190.35","0.12","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Al F15 N2 O P -","- C30 H27 Al F15 N2 O P -","- C120 H108 Al4 F60 N8 O4 P4 -","4","1","","Gabriel Ménard; Jillian A. Hatnean; Hugh J. Cowley; Alan J. Lough; Jeremy M. Rawson; Douglas W. Stephan","C-H Bond Activation by Radical Ion Pairs Derived from R3P/Al(C6F5)3 Frustrated Lewis Pairs and N2O","Journal of the American Chemical Society","2013","135","","6446","6449","10.1021/ja402964h","","","0.71073","MoKα","","0.0733","0.0406","","","0.0861","0.0985","","","","","","1.005","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119708","11.6291","0.0004","16.9162","0.0005","17.4333","0.0005","85.883","0.002","81.665","0.002","75.891","0.002","3288.52","0.18","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H34 Al2 F30 O P -","- C63 H34 Al2 F30 O P -","- C126 H68 Al4 F60 O2 P2 -","2","1","","Gabriel Ménard; Jillian A. Hatnean; Hugh J. Cowley; Alan J. Lough; Jeremy M. Rawson; Douglas W. Stephan","C-H Bond Activation by Radical Ion Pairs Derived from R3P/Al(C6F5)3 Frustrated Lewis Pairs and N2O","Journal of the American Chemical Society","2013","135","","6446","6449","10.1021/ja402964h","","","1.54178","CuKα","","0.1196","0.0803","","","0.2209","0.2409","","","","","","1.059","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119709","13.8953","0.001","14.9435","0.001","35.121","0.003","90","","99.212","0.004","90","","7198.6","0.9","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H33.5 Al2 Br F31.5 O P -","- C81 H33.5 Al2 Br F31.5 O P -","- C324 H134 Al8 Br4 F126 O4 P4 -","4","1","","Gabriel Ménard; Jillian A. Hatnean; Hugh J. Cowley; Alan J. Lough; Jeremy M. Rawson; Douglas W. Stephan","C-H Bond Activation by Radical Ion Pairs Derived from R3P/Al(C6F5)3 Frustrated Lewis Pairs and N2O","Journal of the American Chemical Society","2013","135","","6446","6449","10.1021/ja402964h","","","0.71073","MoKα","","0.2446","0.0864","","","0.219","0.2949","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119710","12.821","0.004","10.834","0.004","18.427","0.006","90","","110.303","0.005","90","","2400.5","1.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H24 O -","- C37 H24 O -","- C148 H96 O4 -","4","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.0972","0.0631","","","0.1516","0.2001","","","","","","1.093","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119711","9.519","","9.886","","25.98","","90","","90","","90","","2444.84","","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C37 H24 O -","- C37 H24 O -","- C148 H96 O4 -","4","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.0976","0.0587","","","0.1095","0.1304","","","","","","0.994","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119712","11.9435","0.0014","8.7154","0.001","23.517","0.003","90","","93.732","0.002","90","","2442.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H25 N O -","- C36 H25 N O -","- C144 H100 N4 O4 -","4","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.0858","0.0611","","","0.1625","0.185","","","","","","0.943","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119713","9.4408","0.0016","15.402","0.003","34.191","0.006","90","","90","","90","","4971.6","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H25 N O -","- C36 H25 N O -","- C288 H200 N8 O8 -","8","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.0946","0.0564","","","0.1268","0.1506","","","","","","1.029","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119714","9.923","","18.34","","14.072","","90","","104.78","","90","","2476.2","","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C37 H24 O -","- C37 H24 O -","- C148 H96 O4 -","4","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.112","0.0749","","","0.1816","0.2433","","","","","","1.063","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119715","11.453","","12.028","","12.075","","109.53","","92.74","","107.56","","1474.06","","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H31 N O3 -","- C40 H31 N O3 -","- C80 H62 N2 O6 -","2","1","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.1289","0.0789","","","0.1819","0.2592","","","","","","1.105","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119716","9.5395","0.0013","13.997","0.002","20.338","0.004","106.904","0.005","93.838","0.004","103.923","0.003","2494.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H25 N O -","- C36 H25 N O -","- C144 H100 N4 O4 -","4","2","","Jarugu Narasimha Moorthy; Susovan Mandal; Arindam Mukhopadhyay; Subhas Samanta","Helicity as a Steric Force: Stabilization and Helicity-Dependent Reversion of Coloredo-Quinonoid Intermediates of Helical Chromenes","Journal of the American Chemical Society","2013","135","","6872","6884","10.1021/ja312027c","","","0.71073","MoKα","","0.1079","0.061","","","0.1395","0.1708","","","","","","0.985","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119717","9.34219","0.00047","22.09822","0.00086","7.64543","0.00031","90","","95.5968","0.0032","90","","1570.84","0.12","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis-imidazolato barium","Bis-imidazolato barium","","- C6 H6 Ba N4 -","- C6 H6 Ba N4 -","- C48 H48 Ba8 N32 -","8","2","","Jens-Christoph Rybak; Michael Hailmann; Philipp R. Matthes; Alexander Zurawski; Jörn Nitsch; Andreas Steffen; Joachim G. Heck; Claus Feldmann; Stefan Götzendörfer; Jürgen Meinhardt; Gerhard Sextl; Holger Kohlmann; Stefan J. Sedlmaier; Wolfgang Schnick; Klaus Müller-Buschbaum","Metal-Organic Framework Luminescence in the Yellow Gap by Codoping of the Homoleptic Imidazolate\ιnfty3[Ba(Im)2] with Divalent Europium","Journal of the American Chemical Society","2013","135","","6896","6902","10.1021/ja3121718","powder diffraction","x-ray","1.54059","CuKα~1~","","","","","","","","0.0091","","1.12","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119718","10.0368","0.0018","11.521","0.003","11.8274","0.0019","92.243","0.013","112.631","0.014","113.778","0.012","1124.2","0.5","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H29 Cl2 Fe N5 O -","- C20 H29 Cl2 Fe N5 O -","- C40 H58 Cl4 Fe2 N10 O2 -","2","1","","Kazuki Umehara; Shigeki Kuwata; Takao Ikariya","N-N Bond Cleavage of Hydrazines with a Multiproton-Responsive Pincer-Type Iron Complex","Journal of the American Chemical Society","2013","135","","6754","6757","10.1021/ja3122944","","","0.71075","MoKα","","","0.0293","","","","0.0871","","","","","","1","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119719","10.697","0.002","12.004","0.003","17.782","0.004","88.464","0.01","77.257","0.008","65.722","0.007","2024.9","0.8","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C29 H46 F6 Fe N6 O6 P2 S2 -","- C29 H46 F6 Fe N6 O6 P2 S2 -","- C58 H92 F12 Fe2 N12 O12 P4 S4 -","2","1","","Kazuki Umehara; Shigeki Kuwata; Takao Ikariya","N-N Bond Cleavage of Hydrazines with a Multiproton-Responsive Pincer-Type Iron Complex","Journal of the American Chemical Society","2013","135","","6754","6757","10.1021/ja3122944","","","0.71075","MoKα","","","0.0363","","","","0.1046","","","","","","1","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119720","10.502","0.002","11.823","0.002","18.286","0.004","81.424","0.008","76.624","0.006","81.593","0.007","2169.4","0.7","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C33 H49 F6 Fe N7 O6 P2 S2 -","- C33 H49 F6 Fe N7 O6 P2 S2 -","- C66 H98 F12 Fe2 N14 O12 P4 S4 -","2","1","","Kazuki Umehara; Shigeki Kuwata; Takao Ikariya","N-N Bond Cleavage of Hydrazines with a Multiproton-Responsive Pincer-Type Iron Complex","Journal of the American Chemical Society","2013","135","","6754","6757","10.1021/ja3122944","","","0.71075","MoKα","","","0.0397","","","","0.1158","","","","","","1","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119721","9.084","0.0011","9.8173","0.0012","20.873","0.003","90","","90","","90","","1861.5","0.4","93","","93","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 F3 N2 O3 P S -","- C16 H20 F3 N2 O3 P S -","- C64 H80 F12 N8 O12 P4 S4 -","4","1","","Kazuki Umehara; Shigeki Kuwata; Takao Ikariya","N-N Bond Cleavage of Hydrazines with a Multiproton-Responsive Pincer-Type Iron Complex","Journal of the American Chemical Society","2013","135","","6754","6757","10.1021/ja3122944","","","0.71075","MoKα","","","0.0289","","","","0.0833","","","","","","1","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119722","9.8489","0.001","15.8869","0.0017","18.0605","0.0019","90","","103.458","0.002","90","","2748.3","0.5","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jonme06","Tp'Rh(CNneopentyl)(CH2(C=O)CH3)Cl","","- C24 H38 B Cl N7 O Rh -","- C24 H38 B Cl N7 O Rh -","- C96 H152 B4 Cl4 N28 O4 Rh4 -","4","1","","Yunzhe Jiao; Meagan E. Evans; James Morris; William W. Brennessel; William D. Jones","Rhodium-Carbon Bond Energies in Tp'Rh(CNneopentyl)(CH2X)H: Quantifying Stabilization Effects in M-C Bonds","Journal of the American Chemical Society","2013","135","","6994","7004","10.1021/ja400966y","","","0.71073","MoKα","","0.1016","0.0517","","","0.1082","0.1277","","","","","","1.012","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119723","15.4424","0.0013","19.1316","0.0016","10.2475","0.0009","90","","93.747","0.002","90","","3021","0.4","100","0.5","100","0.5","","","","","","","","7","C 1 c 1","C -2yc","9","jonyj32","Tp'Rh(CNneopentyl)(CH2O-t-Bu)Cl","","- C26 H44 B Cl N7 O Rh -","- C26 H44 B Cl N7 O Rh -","- C104 H176 B4 Cl4 N28 O4 Rh4 -","4","1","","Yunzhe Jiao; Meagan E. Evans; James Morris; William W. Brennessel; William D. Jones","Rhodium-Carbon Bond Energies in Tp'Rh(CNneopentyl)(CH2X)H: Quantifying Stabilization Effects in M-C Bonds","Journal of the American Chemical Society","2013","135","","6994","7004","10.1021/ja400966y","","","0.71073","MoKα","","0.1114","0.0589","","","0.1083","0.1282","","","","","","1.006","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119724","18.951","0.01","9.858","0.004","28.893","0.008","90","","102.82","0.03","90","","5263","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H73 Co2 K2 N9 O7 -","- C39 H66 Co2 K2 N9 O7 -","- C156 H264 Co8 K8 N36 O28 -","4","0.5","","Silvia Gomez-Coca; Eduard Cremades; Núria Aliaga-Alcalde; Eliseo Ruiz","Mononuclear Single-Molecule Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes","Journal of the American Chemical Society","2013","135","","7010","7018","10.1021/ja4015138","","","0.71073","MoKα","","0.0753","0.0554","","","0.1653","0.1763","","","","","","1.134","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119725","13.401","0.006","17.773","0.005","31.138","0.011","90","","90","","90","","7416","5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Co N14 O6 P S -","- C15 H21 Co N14 O6 P S -","- C180 H252 Co12 N168 O72 P12 S12 -","12","3","","Silvia Gomez-Coca; Eduard Cremades; Núria Aliaga-Alcalde; Eliseo Ruiz","Mononuclear Single-Molecule Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes","Journal of the American Chemical Society","2013","135","","7010","7018","10.1021/ja4015138","","","0.71073","MoKα","","0.0963","0.0447","","","0.0862","0.099","","","","","","0.821","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119726","16.5121","0.0005","28.0431","0.0009","16.4572","0.0005","90","","90","","90","","7620.5","0.4","153","2","153","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C27.5 H61.5 Ge4.5 Si3 -","- C27.56 H61.56 Ge4.5 Si3 -","- C220.48 H492.48 Ge36 Si24 -","8","0.5","","Yuki Ito; Vladimir Ya. Lee; Heinz Gornitzka; Catharina Goedecke; Gernot Frenking; Akira Sekiguchi","Spirobis(pentagerma[1.1.1]propellane): A Stable Tetraradicaloid","Journal of the American Chemical Society","2013","135","","6770","6773","10.1021/ja401650q","","","0.71073","MoKα","","0.0354","0.0241","","","0.0548","0.0628","","","","","","1.084","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4119727","13.1613","0.0005","28.7663","0.001","15.4602","0.0006","90","","92.252","0.001","90","","5848.7","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H102 Ge4 Si5 -","- C44 H102 Ge4 Si5 -","- C176 H408 Ge16 Si20 -","4","1","","Yuki Ito; Vladimir Ya. Lee; Heinz Gornitzka; Catharina Goedecke; Gernot Frenking; Akira Sekiguchi","Spirobis(pentagerma[1.1.1]propellane): A Stable Tetraradicaloid","Journal of the American Chemical Society","2013","135","","6770","6773","10.1021/ja401650q","","","0.71073","MoKα","","0.037","0.0266","","","0.0633","0.0666","","","","","","1.031","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119728","10.2635","0.0003","5.088","0.0001","15.9439","0.0004","90","","97.188","0.001","90","","826.06","0.04","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C36 H40 O14 -","2","1","","Hengbin Wang; Gang Li; Keary M. Engle; Jin-Quan Yu; Huw M. L. Davies","Sequential C-H Functionalization Reactions for the Enantioselective Synthesis of Highly Functionalized 2,3-Dihydrobenzofurans","Journal of the American Chemical Society","2013","135","","6774","6777","10.1021/ja401731d","","","1.54184","CuKα","","0.0384","0.0383","","","0.095","0.0951","","","","","","1.112","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119729","8.2828","0.0008","8.5783","0.001","12.4406","0.0014","80.819","0.009","87.674","0.008","89.574","0.008","871.89","0.17","110","2","110","2","","","","","","","","3","P 1","P 1","1","","","","- C10 H16 O7 -","- C10 H16 O7 -","- C30 H48 O21 -","3","3","","Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley","Polycarbonates Derived from Glucose via an Organocatalytic Approach","Journal of the American Chemical Society","2013","135","","6826","6829","10.1021/ja402319m","","","1.54178","CuKα","","0.0517","0.0423","","","0.1026","0.1075","","","","","","1.015","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119730","4.8197","0.0002","13.012","0.0004","12.4938","0.0004","90","","97.703","0.002","90","","776.46","0.05","110","2","110","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C32 H44 O12 -","2","1","","Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley","Polycarbonates Derived from Glucose via an Organocatalytic Approach","Journal of the American Chemical Society","2013","135","","6826","6829","10.1021/ja402319m","","","0.71073","MoKα","","0.0332","0.0303","","","0.0797","0.0817","","","","","","1.056","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119731","9.4244","0.0002","9.4244","0.0002","22.8217","0.0005","90","","90","","120","","1755.44","0.07","110","2","110","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C9 H18 O6 -","- C9 H18 O6 -","- C54 H108 O36 -","6","1","","Koichiro Mikami; Alexander T. Lonnecker; Tiffany P. Gustafson; Nathanael F. Zinnel; Pei-Jing Pai; David H. Russell; Karen L. Wooley","Polycarbonates Derived from Glucose via an Organocatalytic Approach","Journal of the American Chemical Society","2013","135","","6826","6829","10.1021/ja402319m","","","0.71073","MoKα","","0.0313","0.0292","","","0.078","0.0798","","","","","","1.054","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4119732","10.0751","0.0012","10.7241","0.0013","16.6027","0.0019","90","","90","","90","","1793.9","0.4","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 N2 O2 S -","- C20 H22 N2 O2 S -","- C80 H88 N8 O8 S4 -","4","1","","Jillian E. Spangler; Huw M. L. Davies","Catalytic Asymmetric Synthesis of Pyrroloindolines via a Rhodium(II)-Catalyzed Annulation of Indoles","Journal of the American Chemical Society","2013","135","","6802","6805","10.1021/ja4025337","","","0.71073","","","0.05156","0.048183","","","","0.124917","","","","","","1.05404","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119733","6.7093","0.0001","8.8356","0.0002","28.7168","0.0007","90","","90","","90","","1702.35","0.06","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O2 S -","- C19 H22 N2 O2 S -","- C76 H88 N8 O8 S4 -","4","1","","Jillian E. Spangler; Huw M. L. Davies","Catalytic Asymmetric Synthesis of Pyrroloindolines via a Rhodium(II)-Catalyzed Annulation of Indoles","Journal of the American Chemical Society","2013","135","","6802","6805","10.1021/ja4025337","","","0.71073","MoKα","","0.032","0.028","","","","0.029","0.041","","","","","1.553","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119734","20.52","0.004","14.543","0.003","18.761","0.005","90","","90","","90","","5599","2","93","2","93","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C59 H92 Cl2 O2 P2 Ru -","- C59 H92 Cl2 O2 P2 Ru -","- C236 H368 Cl8 O8 P8 Ru4 -","4","1","","César A. Urbina-Blanco; Albert Poater; Tomas Lebl; Simone Manzini; Alexandra M. Z. Slawin; Luigi Cavallo; Steven P. Nolan","The Activation Mechanism of Ru-Indenylidene Complexes in Olefin Metathesis","Journal of the American Chemical Society","2013","135","","7073","7079","10.1021/ja402700p","","","0.71073","MoKα","","0.1164","0.0623","","","0.103","0.121","","","","","","0.973","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119735","11.734","0.012","15.573","0.016","17.953","0.018","107.109","0.004","103.411","0.018","99.699","0.018","2949","5","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H55 Cl2 N2 O P Ru -","- C55 H51 Cl2 N2 O P Ru -","- C110 H102 Cl4 N4 O2 P2 Ru2 -","2","1","","César A. Urbina-Blanco; Albert Poater; Tomas Lebl; Simone Manzini; Alexandra M. Z. Slawin; Luigi Cavallo; Steven P. Nolan","The Activation Mechanism of Ru-Indenylidene Complexes in Olefin Metathesis","Journal of the American Chemical Society","2013","135","","7073","7079","10.1021/ja402700p","","","0.71073","MoKα","","0.1382","0.1303","","","0.3615","0.3755","","","","","","1.434","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119736","15.3916","0.0015","15.3916","0.0015","9.588","0.002","90","","90","","90","","2271.4","0.6","173","2","173","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C H N O Zn -","- C2.28571 N0.142857 O0.571429 Zn0.142857 -","- C64 N4 O16 Zn4 -","28","1.75","","Nicholas C. Burtch; Himanshu Jasuja; David Dubbeldam; Krista S. Walton","Molecular-level Insight into Unusual Low Pressure CO2 Affinity in Pillared Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","7172","7180","10.1021/ja310770c","","","0.71073","MoKα","","0.2166","0.147","","","0.5084","0.5507","","","","","","1.981","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119737","21.624","0.009","21.624","0.009","38.385","0.009","90","","90","","90","","17949","11","110","2","110","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C19 H28 N3 O6 Zn -","- C19 H28 N3 O6 Zn -","- C608 H896 N96 O192 Zn32 -","32","1","","Nicholas C. Burtch; Himanshu Jasuja; David Dubbeldam; Krista S. Walton","Molecular-level Insight into Unusual Low Pressure CO2 Affinity in Pillared Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","7172","7180","10.1021/ja310770c","","","0.71073","MoKα","","0.0625","0.0515","","","0.14","0.1503","","","","","","1.028","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119738","9.7504","0.0004","14.1505","0.0005","19.0874","0.0008","90","","103.51","0.001","90","","2560.67","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H37 B N4 O2 Zr -","- C25 H37 B N4 O2 Zr -","- C100 H148 B4 N16 O8 Zr4 -","4","1","","Kuntal Manna; William C. Everett; George Schoendorff; Arkady Ellern; Theresa L. Windus; Aaron D. Sadow","Highly Enantioselective Zirconium-Catalyzed Cyclization of Aminoalkenes","Journal of the American Chemical Society","2013","135","","7235","7250","10.1021/ja4000189","","","0.71073","MoKα","","0.0391","0.0297","","","0.0735","0.0781","","","","","","1.021","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119739","4.6597","0.0012","13.388","0.003","16.692","0.004","90","","100.364","0.006","90","","1024.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O -","- C12 H10 Br N O -","- C48 H40 Br4 N4 O4 -","4","1","","Hongyin Gao; Daniel H. Ess; Muhammed Yousufuddin; László Kürti","Transition-Metal-Free Direct Arylation: Synthesis of Halogenated 2-Amino-2'-hydroxy-1,1'-biaryls and Mechanism by DFT Calculations","Journal of the American Chemical Society","2013","135","","7086","7089","10.1021/ja400897u","","","0.71073","MoKα","","0.0468","0.0397","","","0.1019","0.1083","","","","","","1.067","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119740","13.047","0.003","9.0053","0.0017","13.195","0.003","90","","116.661","0.002","90","","1385.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br2 N O -","- C16 H11 Br2 N O -","- C64 H44 Br8 N4 O4 -","4","1","","Hongyin Gao; Daniel H. Ess; Muhammed Yousufuddin; László Kürti","Transition-Metal-Free Direct Arylation: Synthesis of Halogenated 2-Amino-2'-hydroxy-1,1'-biaryls and Mechanism by DFT Calculations","Journal of the American Chemical Society","2013","135","","7086","7089","10.1021/ja400897u","","","0.71073","MoKα","","0.0513","0.0358","","","0.0843","0.0914","","","","","","1.022","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119741","23.7483","0.0006","21.7534","0.0006","17.4494","0.0004","90","","90","","90","","9014.5","0.4","130","2","130","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C38 H53 B Cl4 Co Mo N7 O4 S -","- C38 H49 B Cl2 Co Mo N6 O4 S -","- C304 H392 B8 Cl16 Co8 Mo8 N48 O32 S8 -","8","1","","Victor W. L. Ng; Jonathan M. White; Charles G. Young","Structural Characterization and Unusual Reactivity of Oxosulfido-Mo(V) Compounds: Implications for the Structure and Electronic Description of the Very Rapid Form of Xanthine Oxidase","Journal of the American Chemical Society","2013","135","","7106","7109","10.1021/ja4022057","","","1.5418","CuKα","","0.1371","0.0603","","","0.1092","0.1273","","","","","","0.808","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119742","10.568","0.0003","13.8554","0.0005","28.2658","0.0011","90","","94.132","0.003","90","","4128","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Cp2Co[Tp(iPr)MoO(O,SC(=O)C6H3)]","","","- C39 H48 B Co Mo N8 O3 S -","- C39 H48 B Co Mo N8 O3 S -","- C156 H192 B4 Co4 Mo4 N32 O12 S4 -","4","1","","Victor W. L. Ng; Jonathan M. White; Charles G. Young","Structural Characterization and Unusual Reactivity of Oxosulfido-Mo(V) Compounds: Implications for the Structure and Electronic Description of the Very Rapid Form of Xanthine Oxidase","Journal of the American Chemical Society","2013","135","","7106","7109","10.1021/ja4022057","","","1.54184","CuKα","","0.1421","0.0482","","","0.0844","0.1047","","","","","","0.636","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119743","12.1391","0.0004","12.4748","0.0004","12.3922","0.0004","90","","105.917","0.0014","90","","1804.64","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 N2 Zn -","- C40 H62 N2 Zn -","- C80 H124 N4 Zn2 -","2","0.5","","Amit Pratap Singh; Prinson P. Samuel; Herbert W. Roesky; Martin C. Schwarzer; Gernot Frenking; Navdeep S. Sidhu; Birger Dittrich","A Singlet Biradicaloid Zinc Compound and Its Nonradical Counterpart","Journal of the American Chemical Society","2013","135","","7324","7329","10.1021/ja402351x","","","1.54178","CuKα","","0.0367","0.0325","","","0.0873","0.0903","","","","","","1.084","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119744","10.5601","0.0004","10.5959","0.0003","11.8554","0.0004","74.2707","0.0016","70.157","0.0014","75.7753","0.0017","1183.62","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H80 N2 Zn -","- C54 H80 N2 Zn -","- C54 H80 N2 Zn -","1","0.5","","Amit Pratap Singh; Prinson P. Samuel; Herbert W. Roesky; Martin C. Schwarzer; Gernot Frenking; Navdeep S. Sidhu; Birger Dittrich","A Singlet Biradicaloid Zinc Compound and Its Nonradical Counterpart","Journal of the American Chemical Society","2013","135","","7324","7329","10.1021/ja402351x","","","1.54178","CuKα","","0.0375","0.0371","","","0.0907","0.0911","","","","","","1.149","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119745","7.5781","0.0015","14.983","0.003","16.983","0.003","90","","95.87","0.03","90","","1918.2","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cyclic alkylaminocarbene coordinated with CO2","","","- C21 H31 N O2 -","- C21 H31 N O2 -","- C84 H124 N4 O8 -","4","1","","Amit Pratap Singh; Prinson P. Samuel; Herbert W. Roesky; Martin C. Schwarzer; Gernot Frenking; Navdeep S. Sidhu; Birger Dittrich","A Singlet Biradicaloid Zinc Compound and Its Nonradical Counterpart","Journal of the American Chemical Society","2013","135","","7324","7329","10.1021/ja402351x","","","1.54178","CuKα","","0.0542","0.0375","","","0.0899","0.0989","","","","","","1.018","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119746","16.8955","0.001","7.4323","0.0004","21.7513","0.0013","90","","90","","90","","2731.4","0.3","143","2","143","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","2","","Yvonne Schmidt; Jonathan K. Lam; Hung V. Pham; K. N. Houk; Christopher D. Vanderwal","Studies on the Himbert Intramolecular Arene/Allene Diels-Alder Cycloaddition. Mechanistic Studies and Expansion of Scope to All-Carbon Tethers","Journal of the American Chemical Society","2013","135","","7339","7348","10.1021/ja4025963","","","0.71073","MoKα","","0.0356","0.0336","","","0.0894","0.0912","","","","","","1.043","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119747","8.7211","0.0006","9.0859","0.0006","9.9538","0.0007","68.458","0.0007","64.6209","0.0007","82.3832","0.0007","662.54","0.08","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 Cl2 O -","- C15 H14 Cl2 O -","- C30 H28 Cl4 O2 -","2","1","","Yvonne Schmidt; Jonathan K. Lam; Hung V. Pham; K. N. Houk; Christopher D. Vanderwal","Studies on the Himbert Intramolecular Arene/Allene Diels-Alder Cycloaddition. Mechanistic Studies and Expansion of Scope to All-Carbon Tethers","Journal of the American Chemical Society","2013","135","","7339","7348","10.1021/ja4025963","","","0.71073","MoKα","","0.0285","0.0266","","","0.0703","0.072","","","","","","1.039","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119748","12.5373","0.0007","13.0195","0.0007","16.9104","0.001","90","","90","","90","","2760.3","0.3","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O -","- C19 H18 O -","- C152 H144 O8 -","8","1","","Yvonne Schmidt; Jonathan K. Lam; Hung V. Pham; K. N. Houk; Christopher D. Vanderwal","Studies on the Himbert Intramolecular Arene/Allene Diels-Alder Cycloaddition. Mechanistic Studies and Expansion of Scope to All-Carbon Tethers","Journal of the American Chemical Society","2013","135","","7339","7348","10.1021/ja4025963","","","0.71073","MoKα","","0.0441","0.0392","","","0.1054","0.1096","","","","","","1.046","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119749","11.6626","0.0005","7.6036","0.0004","16.2246","0.0008","90","","103.564","0.001","90","","1398.63","0.12","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O2 -","- C32 H38 N2 O2 -","- C64 H76 N4 O4 -","2","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.0489","0.0485","","","0.1458","0.1468","","","","","","1.047","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119750","9.8022","0.0002","10.0734","0.0003","28.5375","0.0007","90","","90","","90","","2817.84","0.12","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O3 -","- C32 H38 N2 O3 -","- C128 H152 N8 O12 -","4","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.0373","0.0346","","","0.097","0.099","","","","","","1.03","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119751","10.0579","0.0004","9.6933","0.0004","14.7647","0.0006","90","","99.143","0.002","90","","1421.18","0.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C64 H76 N4 O10 -","2","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.0618","0.0414","","","0.1122","0.1347","","","","","","1.141","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119752","13.8992","0.001","7.5593","0.0007","14.1873","0.0011","90","","105.376","0.006","90","","1437.3","0.2","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H40 N2 O5 -","- C32 H40 N2 O5 -","- C64 H80 N4 O10 -","2","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.0812","0.0533","","","0.1396","0.1649","","","","","","1.06","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119753","13.691","0.0009","7.6431","0.0005","14.2391","0.0011","90","","106.329","0.005","90","","1429.9","0.18","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H36 N2 O5 -","- C32 H36 N2 O5 -","- C64 H72 N4 O10 -","2","1","","Kan'ichiro Ishiuchi; Takehito Nakazawa; Fumitoshi Yagishita; Takashi Mino; Hiroshi Noguchi; Kinya Hotta; Kenji Watanabe","Combinatorial Generation of Complexity by Redox Enzymes in the Chaetoglobosin A Biosynthesis","Journal of the American Chemical Society","2013","135","","7371","7377","10.1021/ja402828w","","","1.54178","CuKα","","0.1101","0.0674","","","0.1628","0.1824","","","","","","0.981","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119754","12.139","0.003","12.768","0.003","21.324","0.006","84.987","0.007","89.233","0.007","80.471","0.006","3247","1.4","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H50 B N2 O P2 Rh -","- C32 H50 B N2 O P2 Rh -","- C128 H200 B4 N8 O4 P8 Rh4 -","4","2","","Yusuke Masuda; Maki Hasegawa; Makoto Yamashita; Kyoko Nozaki; Naoki Ishida; Masahiro Murakami","Oxidative Addition of a Strained C-C Bond onto Electron-Rich Rhodium(I) at Room Temperature","Journal of the American Chemical Society","2013","135","","7142","7145","10.1021/ja403461f","","","0.71075","MoKα","","0.0403","0.0333","","","0.0931","0.1086","","","","","","1.117","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119755","22.3054","0.0013","22.3054","0.0013","6.6297","0.0005","90","","90","","120","","2856.6","0.3","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H114 N18 O72 U6 -","- C60 H114 N18 O72 U6 -","- C60 H114 N18 O72 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0213","0.0198","","","0.0562","0.0569","","","","","","1.109","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119756","22.4622","0.0009","22.4622","0.0009","6.592","0.0004","90","","90","","120","","2880.4","0.2","210","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0283","0.0232","","","0.0621","0.0643","","","","","","1.075","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119757","22.6821","0.001","22.6821","0.001","6.5371","0.0004","90","","90","","120","","2912.6","0.3","210","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O60 U6 -","- C60 H102 N18 O60 U6 -","- C60 H102 N18 O60 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0184","0.0161","","","0.0459","0.0468","","","","","","1.095","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119758","22.6972","0.0007","22.6972","0.0007","6.5275","0.0002","90","","90","","120","","2912.21","0.16","210","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O60 U6 -","- C60 H102 N18 O60 U6 -","- C60 H102 N18 O60 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0215","0.0172","","","0.0448","0.0463","","","","","","1.086","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119759","22.5338","0.001","22.5338","0.001","6.5999","0.0004","90","","90","","120","","2902.3","0.3","210","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0201","0.0183","","","0.054","0.0547","","","","","","1.091","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119760","22.6097","0.0011","22.6097","0.0011","6.5888","0.0004","90","","90","","120","","2916.9","0.3","293","2","210","2","","","","","","","","5","P -3","-P 3","147","","","","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","- C60 H102 N18 O72 U6 -","1","0.166667","","Daniel K. Unruh; Kyle Gojdas; Anna Libo; Tori Z. Forbes","Development of Metal-Organic Nanotubes Exhibiting Low-Temperature, Reversible Exchange of Confined ""Ice Channels""","Journal of the American Chemical Society","2013","135","","7398","7401","10.1021/ja400303f","","","0.71073","MoKα","","0.0248","0.0196","","","0.0538","0.0559","","","","","","1.089","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119761","15.1437","0.0008","10.5693","0.0005","10.0807","0.0006","90","","90","","90","","1613.5","0.15","500","","500","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.1005","0.0492","","0.1034","0.074","0.1034","","","","","","0.9706","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119762","14.3358","0.0005","10.7957","0.0003","9.8884","0.0003","90","","90","","90","","1530.38","0.08","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0339","0.024","","0.0455","0.0374","0.0448","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119763","14.3999","0.0005","10.7847","0.0003","9.8963","0.0003","90","","90","","90","","1536.88","0.08","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0397","0.027","","0.0429","0.0363","0.0429","","","","","","0.9309","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119764","14.4689","0.0005","10.7738","0.0003","9.9041","0.0003","90","","90","","90","","1543.9","0.08","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0392","0.0263","","0.0546","0.0438","0.0546","","","","","","0.9507","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119765","14.5094","0.0005","10.7659","0.0004","9.9113","0.0003","90","","90","","90","","1548.21","0.09","250","","250","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.043","0.028","","0.0522","0.0436","0.0522","","","","","","0.92","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119766","14.609","0.0005","10.7472","0.0004","9.9276","0.0004","90","","90","","90","","1558.69","0.1","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0469","0.0293","","0.0524","0.042","0.0519","","","","","","0.9542","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119767","14.7195","0.0006","10.7233","0.0004","9.95","0.0004","90","","90","","90","","1570.52","0.11","360","","360","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0562","0.0314","","0.0598","0.0442","0.0598","","","","","","0.9547","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119768","14.8002","0.0007","10.7012","0.0005","9.9666","0.0005","90","","90","","90","","1578.51","0.13","400","","400","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0639","0.0368","","0.0872","0.0648","0.0872","","","","","","0.9893","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119769","14.9768","0.0008","10.6404","0.0005","10.0105","0.0006","90","","90","","90","","1595.26","0.15","460","","460","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H6 Cd N4 -","- C6 H6 Cd N4 -","- C48 H48 Cd8 N32 -","8","1","","Ines E. Collings; Andrew B. Cairns; Amber L. Thompson; Julia E. Parker; Chiu C. Tang; Matthew G. Tucker; Jadna Catafesta; Claire Levelut; Julien Haines; Vladimir Dmitriev; Philip Pattison; Andrew L. Goodwin","Homologous Critical Behavior in the Molecular Frameworks Zn(CN)2 and Cd(imidazolate)2","Journal of the American Chemical Society","2013","135","","7610","7620","10.1021/ja401268g","","","0.71073","MoKα","","0.0788","0.0414","","0.0811","0.0589","0.0811","","","","","","0.9968","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119770","5.89986","0.00021","5.899858","","5.899858","","90","","90","","90","","205.364","0.007","","","295","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C4 N4 Zn2 -","2","0.0416667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618323","synchrotron","","","","","","","","","","0.927","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119771","5.7707","0.0021","5.7707","","5.7707","","90","","90","","90","","192.17","0.07","295","","295","","","","","","","","","3","P n -3 m :2","-P 4bc 2bc 3","224","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C4 N4 Zn2 -","2","0.0416667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618323","synchrotron","","","","","","","","","","0.415","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119772","12.2842","0.0016","7.6537","0.001","7.5151","0.001","90","","90","","90","","706.57","0.16","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 N2 Zn -","- C4 Zn -","- C32 Zn8 -","8","1","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618484","synchrotron","","","","","","","","","","0.677","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119773","12.67156","0.00063","6.99321","0.0006","6.77444","0.00045","90","","90","","90","","600.32","0.07","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 N2 Zn -","- C4 Zn -","- C32 Zn8 -","8","1","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618484","synchrotron","","","","","","","","","","0.476","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119774","12.65365","0.0009","6.96095","0.00065","6.71431","0.00052","90","","90","","90","","591.41","0.08","295","","295","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C2 N2 Zn -","- C4 Zn -","- C32 Zn8 -","8","1","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.60665","synchrotron","","","","","","","","","","0.217","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119775","11.2271","0.00028","11.2271","","11.2271","","90","","90","","90","","1415.15","0.04","295","","295","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C16 N16 Zn8 -","8","0.0416667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618323","synchrotron","","","","","","","","","","0.433","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119776","11.26421","0.00028","11.26421","","11.26421","","90","","90","","90","","1429.23","0.04","295","","295","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C16 N16 Zn8 -","8","0.0416667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.618323","synchrotron","","","","","","","","","","0.415","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119777","8.21693","0.00058","8.21693","","13.1705","0.0017","90","","90","","120","","770.11","0.11","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C8 N8 Zn4 -","4","0.166667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.615183","synchrotron","","","","","","","","","","0.621","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119778","8.1756","0.00068","8.175597","","12.9513","0.0014","90","","90","","120","","749.69","0.1","295","","295","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- C2 N2 Zn -","- C2 N2 Zn -","- C8 N8 Zn4 -","4","0.166667","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.615183","synchrotron","","","","","","","","","","1.104","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119779","12.48147","0.00027","12.48147","","12.48147","","90","","90","","90","","1944.45","0.04","295","","295","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C2 N2 Zn -","- C2.33333 N2.33333 Zn -","- C28 N28 Zn12 -","12","0.5","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.615183","synchrotron","","","","","","","","","","0.424","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119780","12.46007","0.00083","12.46007","","12.46007","","90","","90","","90","","1934.47","0.13","295","","295","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","","","- C2 N2 Zn -","- C2.33333 N2.33333 Zn -","- C28 N28 Zn12 -","12","0.5","","Saul H. Lapidus; Gregory J. Halder; Peter J. Chupas; Karena W. Chapman","Exploiting High Pressures to Generate Porosity, Polymorphism, And Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2","Journal of the American Chemical Society","2013","135","","7621","7628","10.1021/ja4012707","powder diffraction","","0.60665","synchrotron","","","","","","","","","","0.277","","","","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119781","23.5553","0.0002","23.5553","0.0002","23.5553","0.0002","90","","90","","90","","13069.7","0.19","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C52 H18 F6 N26 O48 Tb6 -","- C52.08 H18.24 F6.24 N26 O48 Tb6 -","- C208.32 H72.96 F24.96 N104 O192 Tb24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","1.54178","CuKα","","0.0401","0.0359","","","0.1294","0.1315","","","","","","1.099","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119782","23.4365","0.0004","23.4365","0.0004","23.4365","0.0004","90","","90","","90","","12873","0.4","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C52 H18 F6 N26 O78 Y6 -","- C51.84 H18.24 F6.24 N25.92 O78 Y6 -","- C207.36 H72.96 F24.96 N103.68 O312 Y24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","1.54178","CuKα","","0.0414","0.0395","","","0.116","0.1183","","","","","","1.009","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119783","23.5195","0.0005","23.5195","0.0005","23.5195","0.0005","90","","90","","90","","13010.2","0.5","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C48 H24 N24 O58 Tb6 -","- C48 H24 N24 O58 Tb6 -","- C192 H96 N96 O232 Tb24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","1.54184","CuKα","","0.0343","0.034","","","0.1028","0.1031","","","","","","1.086","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119784","29.5957","0.0003","29.5957","0.0003","29.5957","0.0003","90","","90","","90","","25923","0.5","200","2","200","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C84 H42 F6 N24 O26 Tb6 -","- C84 H42.24 F6.24 N24 O26 Tb6 -","- C336 H168.96 F24.96 N96 O104 Tb24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","0.71073","MoKα","","0.0264","0.0236","","","0.0715","0.0724","","","","","","1.072","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119785","29.447","0.003","29.447","0.003","29.447","0.003","90","","90","","90","","25534","5","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C84 H42 F6 N24 O26 Y6 -","- C84 H42.24 F6.24 N24 O26 Y6 -","- C336 H168.96 F24.96 N96 O104 Y24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","1.54178","CuKα","","0.034","0.0337","","","0.101","0.1016","","","","","","1.059","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119786","27.5127","0.0012","27.5127","0.0012","27.5127","0.0012","90","","90","","90","","20825.7","1.6","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H42 F6 O38 Tb6 -","- C96 H42.24 F6.24 O38 Tb6 -","- C384 H168.96 F24.96 O152 Tb24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","1.54184","CuKα","","0.042","0.0402","","","0.1105","0.1125","","","","","","1.051","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119787","27.4756","0.0007","27.4756","0.0007","27.4756","0.0007","90","","90","","90","","20741.6","0.9","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C84 H36 F12 O46 Tb6 -","- C84 H36 F12 O46.26 Tb6 -","- C336 H144 F48 O185.04 Tb24 -","4","0.0208333","","Dong-Xu Xue; Amy J. Cairns; Youssef Belmabkhout; Lukasz Wojtas; Yunling Liu; Mohamed H. Alkordi; Mohamed Eddaoudi","Tunable Rare-Earth fcu-MOFs: A Platform for Systematic Enhancement of CO2 Adsorption Energetics and Uptake","Journal of the American Chemical Society","2013","135","","7660","7667","10.1021/ja401429x","","","1.54178","CuKα","","0.0768","0.0732","","","0.2049","0.2085","","","","","","1.051","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119788","14.789","0.0014","9.76","0.0009","14.6418","0.0014","90","","104.674","0.002","90","","2044.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 Au Br2 Cl N2 -","- C19 H20 Au Br2 Cl N2 -","- C76 H80 Au4 Br8 Cl4 N8 -","4","0.5","","Aleksandr V. Zhukhovitskiy; Michael G. Mavros; Troy Van Voorhis; Jeremiah A. Johnson","Addressable Carbene Anchors for Gold Surfaces","Journal of the American Chemical Society","2013","135","","7418","7421","10.1021/ja401965d","","","0.71073","MoKα","","0.0448","0.0427","","","0.1095","0.1134","","","","","","1.09","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119789","19.3549","0.0003","5.12886","0.00005","19.9604","0.0003","90","","115.055","0.0019","90","","1794.99","0.05","100","1","100","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","1","","Johannes Seibel; Oliver Allemann; Jay S. Siegel; Karl-Heinz Ernst","Chiral Conflict among Different Helicenes Suppresses Formation of One Enantiomorph in 2D Crystallization","Journal of the American Chemical Society","2013","135","","7434","7437","10.1021/ja402012j","","","1.54184","CuKα","","0.0354","0.0326","","","0.0867","0.0894","","","","","","1.04","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119790","13.346","0.0007","13.8548","0.0003","13.9495","0.0007","66.714","0.004","67.003","0.005","88.786","0.003","2153.7","0.2","183","2","183","2","","","","","","","","9","P -1","-P 1","2","","Bromo-bridged rhenium mononitrosyl tris(pentafluorophenyl)boron-formato bis(triisopropylphosphine) dimer","","- C74 H86 B2 Br2 F30 N2 O6 P4 Re2 -","- C74 H86 B2 Br2 F30 N2 O6 P4 Re2 -","- C74 H86 B2 Br2 F30 N2 O6 P4 Re2 -","1","0.5","","Yanfeng Jiang; Olivier Blacque; Thomas Fox; Heinz Berke","Catalytic CO2 Activation Assisted by Rhenium Hydride/B(C6F5)3 Frustrated Lewis Pairs-Metal Hydrides Functioning as FLP Bases","Journal of the American Chemical Society","2013","135","","7751","7760","10.1021/ja402381d","","","0.71073","MoKα","","0.0371","0.0253","","","0.0493","0.0543","","","","","","1.093","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119791","19.6025","0.0002","11.5901","0.0001","9.6145","0.0001","90","","90","","90","","2184.37","0.04","183","2","183","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","2,2,6,6-Tetramethylpiperidinium formate","","- C10 H21 N O2 -","- C10 H21 N O2 -","- C80 H168 N8 O16 -","8","1","","Yanfeng Jiang; Olivier Blacque; Thomas Fox; Heinz Berke","Catalytic CO2 Activation Assisted by Rhenium Hydride/B(C6F5)3 Frustrated Lewis Pairs-Metal Hydrides Functioning as FLP Bases","Journal of the American Chemical Society","2013","135","","7751","7760","10.1021/ja402381d","","","1.54184","CuKα","","0.0508","0.0499","","","0.1389","0.1398","","","","","","1.047","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119792","12.7738","0.0006","13.9744","0.0007","17.901","0.0008","90","","106.38","0.0005","90","","3065.7","0.3","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 Bi N3 O3 -","- C29 H42 Bi N3 O3 -","- C116 H168 Bi4 N12 O12 -","4","1","","Douglas R. Kindra; Ian J. Casely; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O)","Journal of the American Chemical Society","2013","135","","7777","7787","10.1021/ja403133f","","","0.71073","MoKα","","0.0306","0.022","","","0.0479","0.0503","","","","","","1.08","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119793","12.0702","0.0007","16.4669","0.0009","37.181","0.002","90","","90","","90","","7390.1","0.7","143","2","143","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H51 Bi F3 N3 O4 S Si -","- C32 H51 Bi F3 N3 O4 S Si -","- C256 H408 Bi8 F24 N24 O32 S8 Si8 -","8","1","","Douglas R. Kindra; Ian J. Casely; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O)","Journal of the American Chemical Society","2013","135","","7777","7787","10.1021/ja403133f","","","0.71073","MoKα","","0.0234","0.0177","","","0.0384","0.0401","","","","","","1.039","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119794","13.2358","0.0005","17.3249","0.0007","13.3003","0.0005","90","","116.129","0.0004","90","","2738.2","0.18","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H39 Bi N2 O2 S -","- C27 H39 Bi N2 O2 S -","- C108 H156 Bi4 N8 O8 S4 -","4","1","","Douglas R. Kindra; Ian J. Casely; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O)","Journal of the American Chemical Society","2013","135","","7777","7787","10.1021/ja403133f","","","0.71073","MoKα","","0.0193","0.0163","","","0.0371","0.038","","","","","","1.035","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119795","12.9129","0.0007","14.9962","0.0008","17.9034","0.001","101.323","0.0006","101.237","0.0006","98.9213","0.0006","3266.2","0.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 Bi N3 O Si -","- C30 H48 Bi N3 O Si -","- C120 H192 Bi4 N12 O4 Si4 -","4","2","","Douglas R. Kindra; Ian J. Casely; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O)","Journal of the American Chemical Society","2013","135","","7777","7787","10.1021/ja403133f","","","0.71073","MoKα","","0.0211","0.0167","","","0.0374","0.0385","","","","","","1.022","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119796","8.2299","0.0005","9.5398","0.0006","12.9942","0.0009","108.994","0.0006","101.445","0.0006","102.612","0.0006","900.33","0.1","88","2","88","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 Bi N9 -","- C14 H22 Bi N9 -","- C28 H44 Bi2 N18 -","2","1","","Douglas R. Kindra; Ian J. Casely; Megan E. Fieser; Joseph W. Ziller; Filipp Furche; William J. Evans","Insertion of CO2 and COS into Bi-C Bonds: Reactivity of a Bismuth NCN Pincer Complex of an Oxyaryl Dianionic Ligand, [2,6-(Me2NCH2)2C6H3]Bi(C6H2tBu2O)","Journal of the American Chemical Society","2013","135","","7777","7787","10.1021/ja403133f","","","0.71073","MoKα","","0.0126","0.0123","","","0.0294","0.0296","","","","","","1.084","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119797","25.264","0.005","47.896","0.01","31.413","0.006","90","","102.01","0.03","90","","37179","13","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C309 H367 Cl5 N23 O86 Tb15 -","- C309 H361 Cl5.01 N23 O86 Tb15 -","- C1236 H1444 Cl20.04 N92 O344 Tb60 -","4","1","","Dominique T. Thielemann; Anna T. Wagner; Esther Rösch; Dominik K. Kölmel; Joachim G. Heck; Birgit Rudat; Marco Neumaier; Claus Feldmann; Ute Schepers; Stefan Bräse; Peter W. Roesky","Luminescent Cell-Penetrating Pentadecanuclear Lanthanide Clusters","Journal of the American Chemical Society","2013","135","","7454","7457","10.1021/ja403539t","","","0.71073","MoKα","","0.1648","0.0586","","","0.1317","0.162","","","","","","0.792","","","","has coordinates,has disorder","178968","2020-10-21","18:00:00",""
"4119798","26.153","0.002","29.754","0.002","28.621","0.002","90","","90","","90","","22272","3","150","2","150","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C194 H144 Co16 N68 O47 -","- C194 H144 Co16 N68 O47 -","- C776 H576 Co64 N272 O188 -","4","0.5","","Yue-Qiao Hu; Ming-Hua Zeng; Kun Zhang; Sheng Hu; Fu-Fang Zhou; Mohamedally Kurmoo","Tracking the Formation of a Polynuclear Co16 Complex and Its Elimination and Substitution Reactions by Mass Spectroscopy and Crystallography","Journal of the American Chemical Society","2013","135","","7901","7908","10.1021/ja3123784","","","0.71073","MoKα","","0.0726","0.059","","","0.1651","0.1793","","","","","","1.056","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119799","17.5766","0.0003","17.1387","0.0002","12.8097","0.0002","90","","95.836","0.002","90","","3838.79","0.1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C64 H52 Co4 N20 O24.67 -","- C64 H52 Co4 N20 O24.66 -","- C128 H104 Co8 N40 O49.32 -","2","0.5","","Yue-Qiao Hu; Ming-Hua Zeng; Kun Zhang; Sheng Hu; Fu-Fang Zhou; Mohamedally Kurmoo","Tracking the Formation of a Polynuclear Co16 Complex and Its Elimination and Substitution Reactions by Mass Spectroscopy and Crystallography","Journal of the American Chemical Society","2013","135","","7901","7908","10.1021/ja3123784","","","0.71073","MoKα","","0.0395","0.0347","","","0.0931","0.0981","","","","","","1.081","","","","has coordinates","178968","2020-10-21","18:00:00",""
"4119800","25.326","0.003","25.326","0.003","25.326","0.003","90","","90","","90","","16244","3","100","2","100","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C30 O17 S6 Zn4 -","- C30 O17 S6 Zn4 -","- C240 O136 S48 Zn32 -","8","0.0416667","","Jun He; Meiqin Zha; Jieshun Cui; Matthias Zeller; Allen D. Hunter; Shek-Man Yiu; Shuit-Tong Lee; Zhengtao Xu","Convenient Detection of Pd(II) by a Metal-Organic Framework with Sulfur and Olefin Functions","Journal of the American Chemical Society","2013","135","","7807","7810","10.1021/ja401479j","","","0.71073","MoKα","","0.3137","0.2257","","","0.5503","0.5959","","","","","","1.929","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4119801","25.6567","0.0016","25.6567","0.0016","25.6567","0.0016","90","","90","","90","","16888.9","1.8","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C42 H42 O13 S6 Zn4 -","- C42 H42 O13 S6 Zn4 -","- C336 H336 O104 S48 Zn32 -","8","0.0416667","","Jun He; Meiqin Zha; Jieshun Cui; Matthias Zeller; Allen D. Hunter; Shek-Man Yiu; Shuit-Tong Lee; Zhengtao Xu","Convenient Detection of Pd(II) by a Metal-Organic Framework with Sulfur and Olefin Functions","Journal of the American Chemical Society","2013","135","","7807","7810","10.1021/ja401479j","","","0.71073","MoKα","","0.1533","0.1089","","","0.3239","0.3856","","","","","","1.463","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119802","12.112","0.002","13.471","0.003","19.519","0.004","74.9","0.03","75.07","0.03","87.46","0.03","2970.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H72 P2 Pt Si8 Sn -","- C42 H72 P2 Pt Si8 Sn -","- C84 H144 P4 Pt2 Si16 Sn2 -","2","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.1094","0.0758","","","0.1717","0.1871","","","","","","0.949","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119803","12.226","0.002","13.613","0.003","20.105","0.004","71.61","0.03","74.94","0.03","87.72","0.03","3062.9","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H72 P2 Pd Si8 Sn -","- C42 H72 P2 Pd Si8 Sn -","- C84 H144 P4 Pd2 Si16 Sn2 -","2","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.1293","0.0977","","","0.2212","0.2371","","","","","","1.109","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119804","12.108","0.002","21.981","0.004","20.554","0.004","90","","98.9","0.03","90","","5404.5","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H88 K N O2 Si10 Sn -","- C32 H88 K N O2 Si10 Sn -","- C128 H352 K4 N4 O8 Si40 Sn4 -","4","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.1139","0.0994","","","0.1711","0.1765","","","","","","1.38","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119805","11.31","0.002","8.9693","0.0018","11.403","0.002","90","","90.92","0.03","90","","1156.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Cl2 P Sn -","- C6 H15 Cl2 P Sn -","- C24 H60 Cl8 P4 Sn4 -","4","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.0484","0.0466","","","0.0997","0.1004","","","","","","1.391","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119806","12.122","0.002","19.136","0.003","18.629","0.003","90","","102.855","0.003","90","","4213","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H69 P Si8 Sn -","- C24 H69 P Si8 Sn -","- C96 H276 P4 Si32 Sn4 -","4","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.0685","0.0554","","","0.1274","0.1339","","","","","","1.084","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119807","13.201","0.003","21.731","0.004","19.717","0.004","90","","97.37","0.03","90","","5610","2","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H78 P2 Pd Si8 Sn -","- C44 H78 P2 Pd Si8 Sn -","- C176 H312 P8 Pd4 Si32 Sn4 -","4","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.0539","0.0493","","","0.1013","0.1033","","","","","","1.253","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119808","13.447","0.003","17.291","0.004","21.445","0.004","90","","93.93","0.03","90","","4974.5","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H84 Ni P2 Si8 Sn -","- C30 H84 Ni P2 Si8 Sn -","- C120 H336 Ni4 P8 Si32 Sn4 -","4","1","","Henning Arp; Christoph Marschner; Judith Baumgartner; Patrick Zark; Thomas Müller","Coordination Chemistry of Disilylated Stannylenes with Group 10 d10 Transition Metals: Silastannene vs Stannylene Complexation","Journal of the American Chemical Society","2013","135","","7949","7959","10.1021/ja401548d","","","0.71073","MoKα","","0.0976","0.0886","","","0.1609","0.1648","","","","","","1.362","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119809","18.648","0.004","38.15","0.008","15.294","0.003","90","","125.87","0.03","90","","8817","5","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3a","","","- C106 H70 F24 N4 O4 -","- C106 H70 F24 N4 O4 -","- C424 H280 F96 N16 O16 -","4","0.5","","Masayoshi Takase; Tomoyuki Narita; Wataru Fujita; Motoko S. Asano; Tohru Nishinaga; Hiroaki Benten; Kenji Yoza; Klaus Müllen","Pyrrole-Fused Azacoronene Family: The Influence of Replacement with Dialkoxybenzenes on the Optical and Electronic Properties in Neutral and Oxidized States","Journal of the American Chemical Society","2013","135","","8031","8040","10.1021/ja402371f","","","0.71073","MoKα","","0.1743","0.0665","","","0.1457","0.1915","","","","","","0.905","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119810","17.1224","0.0017","18.0032","0.0017","23.929","0.002","102.366","0.001","93.745","0.001","113.254","0.001","6526.9","1","93","","93","","","","","","","","","5","P -1","-P 1","2","4b","","","- C150 H177 F18 N3 O6 -","- C150 H177 F18 N3 O6 -","- C300 H354 F36 N6 O12 -","2","1","","Masayoshi Takase; Tomoyuki Narita; Wataru Fujita; Motoko S. Asano; Tohru Nishinaga; Hiroaki Benten; Kenji Yoza; Klaus Müllen","Pyrrole-Fused Azacoronene Family: The Influence of Replacement with Dialkoxybenzenes on the Optical and Electronic Properties in Neutral and Oxidized States","Journal of the American Chemical Society","2013","135","","8031","8040","10.1021/ja402371f","","","0.71073","MoKα","","0.1507","0.0843","","","0.2319","0.279","","","","","","1.04","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119811","44.931","0.003","47.822","0.004","20.0654","0.0015","90","","90","","90","","43114","6","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","4a2+","","","- C103.5 H84 Cl15 F18 N3 O6 Sb2 -","- C103.5 H84 Cl15 F18 N3 O6 Sb2 -","- C1656 H1344 Cl240 F288 N48 O96 Sb32 -","16","1","","Masayoshi Takase; Tomoyuki Narita; Wataru Fujita; Motoko S. Asano; Tohru Nishinaga; Hiroaki Benten; Kenji Yoza; Klaus Müllen","Pyrrole-Fused Azacoronene Family: The Influence of Replacement with Dialkoxybenzenes on the Optical and Electronic Properties in Neutral and Oxidized States","Journal of the American Chemical Society","2013","135","","8031","8040","10.1021/ja402371f","","","0.7107","MoKα","","0.0659","0.0548","","","0.1349","0.1465","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119812","16.88","0.003","16.898","0.003","20.94","0.004","99.12","0.03","104.64","0.03","118.83","0.03","4778","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","12b","","","- C102 H93 F18 N3 O6 -","- C102 H93 F18 N3 O6 -","- C204 H186 F36 N6 O12 -","2","1","","Masayoshi Takase; Tomoyuki Narita; Wataru Fujita; Motoko S. Asano; Tohru Nishinaga; Hiroaki Benten; Kenji Yoza; Klaus Müllen","Pyrrole-Fused Azacoronene Family: The Influence of Replacement with Dialkoxybenzenes on the Optical and Electronic Properties in Neutral and Oxidized States","Journal of the American Chemical Society","2013","135","","8031","8040","10.1021/ja402371f","","","0.71073","MoKα","","0.1333","0.0784","","","0.2253","0.2708","","","","","","1.043","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119813","14.7405","0.0008","6.7959","0.0004","17.2665","0.0009","90","","100.755","0.003","90","","1699.29","0.16","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C17 H12 Cl F N2 O6 -","- C17 H12 Cl F N2 O6 -","- C68 H48 Cl4 F4 N8 O24 -","4","2","","Louis-Philippe B. Beaulieu; Jakob F. Schneider; André B. Charette","Highly Enantioselective Simmons-Smith Fluorocyclopropanation of Allylic Alcohols via the Halogen Scrambling Strategy of Zinc Carbenoids","Journal of the American Chemical Society","2013","135","","7819","7822","10.1021/ja402393w","","","1.54178","CuKα","","0.0588","0.0549","","","0.1517","0.1573","","","","","","1.033","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119814","8.67519","0.00013","13.1864","0.0002","19.5646","0.0002","90","","90","","90","","2238.08","0.05","99.94","0.18","99.94","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 N O4 -","- C27 H25 N O4 -","- C108 H100 N4 O16 -","4","1","","Luca Dell'Amico; Łukasz Albrecht; Tricia Naicker; Pernille H. Poulsen; Karl Anker Jørgensen","Beyond Classical Reactivity Patterns: Shifting from 1,4- to 1,6-Additions in Regio- and Enantioselective Organocatalyzed Vinylogous Reactions of Olefinic Lactones with Enals and 2,4-Dienals","Journal of the American Chemical Society","2013","135","","8063","8070","10.1021/ja4029928","","","0.7107","MoKα","","0.0565","0.0399","","","0.0791","0.0867","","","","","","1.056","","","","has coordinates,has Fobs","178969","2020-10-21","18:00:00",""
"4119815","10.6947","0.0002","6.9315","0.0001","31.4287","0.0006","90","","94.27","0.001","90","","2323.35","0.07","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N O4.5 -","- C28 H24 N O4.5 -","- C112 H96 N4 O18 -","4","1","","Weidong Rao; Ming Joo Koh; Dan Li; Hajime Hirao; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,6-Diyne Carbonates and Esters to 2,4a-Dihydro-1H-fluorenes","Journal of the American Chemical Society","2013","135","","7926","7932","10.1021/ja4032727","","","0.71073","MoKα","","0.0713","0.0503","","","0.1325","0.1521","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119816","11.0748","0.0004","12.7661","0.0005","19.121","0.0007","102.802","0.002","101.802","0.002","101.914","0.002","2489.06","0.17","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H29 N O4 -","- C32 H29 N O4 -","- C128 H116 N4 O16 -","4","2","","Weidong Rao; Ming Joo Koh; Dan Li; Hajime Hirao; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,6-Diyne Carbonates and Esters to 2,4a-Dihydro-1H-fluorenes","Journal of the American Chemical Society","2013","135","","7926","7932","10.1021/ja4032727","","","0.71073","MoKα","","0.0922","0.0526","","","0.1228","0.1514","","","","","","1.025","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119817","9.079","0.0005","36.296","0.002","6.5673","0.0003","90","","108.441","0.003","90","","2053","0.19","103","2","103","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H19 N O5 -","- C26 H19 N O5 -","- C104 H76 N4 O20 -","4","2","","Weidong Rao; Ming Joo Koh; Dan Li; Hajime Hirao; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,6-Diyne Carbonates and Esters to 2,4a-Dihydro-1H-fluorenes","Journal of the American Chemical Society","2013","135","","7926","7932","10.1021/ja4032727","","","0.71073","MoKα","","0.0639","0.0514","","","0.125","0.1462","","","","","","1.124","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119818","8.7642","0.0002","19.015","0.0004","23.7599","0.0005","88.134","0.001","84.92","0.001","84.246","0.001","3923.07","0.15","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C35.5 H57 Au Cl F6 N P Sb -","- C35.5 H57 Au Cl F6 N P Sb -","- C142 H228 Au4 Cl4 F24 N4 P4 Sb4 -","4","2","","Weidong Rao; Ming Joo Koh; Dan Li; Hajime Hirao; Philip Wai Hong Chan","Gold-Catalyzed Cycloisomerization of 1,6-Diyne Carbonates and Esters to 2,4a-Dihydro-1H-fluorenes","Journal of the American Chemical Society","2013","135","","7926","7932","10.1021/ja4032727","","","0.71073","MoKα","","0.051","0.0334","","","0.0823","0.1014","","","","","","1.085","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119819","18.6896","0.0019","10.0615","0.001","19.5653","0.0017","90","","100.148","0.002","90","","3621.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H43 N3 O8 -","- C39 N3 O8 -","- C156 N12 O32 -","4","1","","Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang","Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes","Journal of the American Chemical Society","2013","135","","7851","7854","10.1021/ja4042127","","","0.71073","MoKα","","0.1125","0.0695","","","0.191","0.2242","","","","","","1.022","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119820","13.8961","0.0013","11.3528","0.0011","17.3669","0.0016","90","","92.113","0.002","90","","2737.9","0.4","140","2","140","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Br N O5 -","- C30 H30 Br N O5 -","- C120 H120 Br4 N4 O20 -","4","2","","Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang","Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes","Journal of the American Chemical Society","2013","135","","7851","7854","10.1021/ja4042127","","","0.71073","MoKα","","0.0573","0.0402","","","0.0923","0.1","","","","","","0.919","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119821","10.1812","0.0011","17.5643","0.0019","14.5731","0.0015","90","","99.106","0.002","90","","2573.2","0.5","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 N O5 -","- C32 H33 N O5 -","- C128 H132 N4 O20 -","4","1","","Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang","Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes","Journal of the American Chemical Society","2013","135","","7851","7854","10.1021/ja4042127","","","0.71073","MoKα","","0.0825","0.0531","","","0.1306","0.1454","","","","","","1.026","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119822","22.604","0.003","22.604","0.003","17.635","0.003","90","","90","","120","","7803","2","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C51 H62 Br2 Cu N2 O2 -","- C51 H62 Br2 Cu N2 O2 -","- C306 H372 Br12 Cu6 N12 O12 -","6","1","","Hu Xiong; Hao Xu; Saihu Liao; Zuowei Xie; Yong Tang","Copper-Catalyzed Highly Enantioselective Cyclopentannulation of Indoles with Donor-Acceptor Cyclopropanes","Journal of the American Chemical Society","2013","135","","7851","7854","10.1021/ja4042127","","","0.71073","MoKα","","0.13","0.0615","","","0.1414","0.1625","","","","","","0.88","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119823","10.0483","0.0001","11.2756","0.0001","14.6132","0.0002","79.001","0.001","73.124","0.001","84.292","0.001","1553.57","0.03","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","chisholm1925","","","- C64 H74 Mo2 N2 O10 S2 -","- C64 H74 Mo2 N2 O10 S2 -","- C64 H74 Mo2 N2 O10 S2 -","1","0.5","","Samantha E. Brown-Xu; Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker","Metal-Metal Quadruple Bonds Supported by 5-Ethynylthiophene-2-carboxylato Ligands: Preparation, Molecular and Electronic Structures, Photoexcited State Dynamics, and Application as Molecular Synthons","Journal of the American Chemical Society","2013","135","","8254","8259","10.1021/ja400508u","","x-ray","0.71073","MoKα","","0.0614","0.0387","","","0.0991","0.1251","","","","","","1.178","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119824","23.8873","0.0006","9.0066","0.0002","27.0771","0.0007","90","","90","","90","","5825.5","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C58 H76 Mo2 O11 S2 -","- C58 H76 Mo2 O11 S2 -","- C232 H304 Mo8 O44 S8 -","4","1","","Samantha E. Brown-Xu; Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker","Metal-Metal Quadruple Bonds Supported by 5-Ethynylthiophene-2-carboxylato Ligands: Preparation, Molecular and Electronic Structures, Photoexcited State Dynamics, and Application as Molecular Synthons","Journal of the American Chemical Society","2013","135","","8254","8259","10.1021/ja400508u","","","0.71073","MoKα","","0.0668","0.0396","","","0.085","0.0944","","","","","","1.084","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119825","18.1995","0.0003","14.7978","0.0002","18.4363","0.0003","90","","104.156","0.001","90","","4814.35","0.13","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","chisholm1921","","","- C98 H112 Au2 Mo2 O12 P2 S2 -","- C98 H112 Au2 Mo2 O12 P2 S2 -","- C196 H224 Au4 Mo4 O24 P4 S4 -","2","0.5","","Samantha E. Brown-Xu; Malcolm H. Chisholm; Christopher B. Durr; Thomas F. Spilker","Metal-Metal Quadruple Bonds Supported by 5-Ethynylthiophene-2-carboxylato Ligands: Preparation, Molecular and Electronic Structures, Photoexcited State Dynamics, and Application as Molecular Synthons","Journal of the American Chemical Society","2013","135","","8254","8259","10.1021/ja400508u","","x-ray","0.71073","MoKα","","0.0641","0.0465","","","0.1148","0.1242","","","","","","1.056","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119826","7.9326","0.0016","13.758","0.003","27.001","0.005","90","","90","","90","","2946.8","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Br N O4 S -","- C13 H16 Br N O4 S -","- C104 H128 Br8 N8 O32 S8 -","8","2","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.044","0.0406","","","0.0847","0.0868","","","","","","1.081","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119827","13.678","0.003","20.782","0.006","6.334","0.009","90","","90","","90","","1800","3","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C16 H22 Br N O4 S -","- C16 H22 Br N O4 S -","- C64 H88 Br4 N4 O16 S4 -","4","1","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.0654","0.0541","","","0.1078","0.1136","","","","","","1.177","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119828","6.0191","0.0004","32.638","0.002","8.3461","0.0006","90","","107.981","0.003","90","","1559.52","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Br N O4 S -","- C14 H18 Br N O4 S -","- C56 H72 Br4 N4 O16 S4 -","4","1","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.0509","0.0428","","","0.0848","0.0893","","","","","","1.078","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119829","8.056","0.003","11.62","0.004","8.287","0.003","90","","95.035","0.005","90","","772.8","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H18 Br N O4 S -","- C14 H18 Br N O4 S -","- C28 H36 Br2 N2 O8 S2 -","2","1","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.0306","0.029","","","0.0698","0.0707","","","","","","1.103","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119830","14.184","0.003","7.9032","0.0016","27.865","0.006","90","","90.14","0.03","90","","3123.6","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H16 N4 O4 S -","- C13 H16 N4 O4 S -","- C104 H128 N32 O32 S8 -","8","4","","Deshun Huang; Xiaoqin Liu; Lijun Li; Yudong Cai; Weigang Liu; Yian Shi","Enantioselective Bromoaminocyclization of Allyl N-Tosylcarbamates Catalyzed by a Chiral Phosphine-Sc(OTf)3 Complex","Journal of the American Chemical Society","2013","135","","8101","8104","10.1021/ja4010877","","","0.71073","MoKα","","0.1282","0.1101","","","0.2677","0.2849","","","","","","1.087","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119831","14.4","0.003","14.6132","0.0019","20.424","0.003","86.927","0.012","79.811","0.016","67.788","0.017","3915.7","1.2","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H76 Co2 F12 N12 O4 P2 -","- C77 H76 Co2 F12 N12 O4 P2 -","- C154 H152 Co4 F24 N24 O8 P4 -","2","1","","Kerwyn G. Alley; Giordano Poneti; Peter S. D. Robinson; Ayman Nafady; Boujemaa Moubaraki; Jade B. Aitken; Simon C. Drew; Chris Ritchie; Brendan F. Abrahams; Rosalie K. Hocking; Keith S. Murray; Alan M. Bond; Hugh H. Harris; Lorenzo Sorace; Colette Boskovic","Redox Activity and Two-Step Valence Tautomerism in a Family of Dinuclear Cobalt Complexes with a Spiroconjugated Bis(dioxolene) Ligand","Journal of the American Chemical Society","2013","135","","8304","8323","10.1021/ja4021155","","","1.54184","CuKα","","0.1534","0.0887","","","0.2296","0.2884","","","","","","1.034","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119832","20.2344","0.0008","13.0215","0.0005","27.8716","0.001","90","","92.334","0.003","90","","7337.6","0.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H96 Cl4 Co3 N8 O11 -","- C63 H68 Cl4 Co3 N8 O4 -","- C252 H272 Cl16 Co12 N32 O16 -","4","1","","Kerwyn G. Alley; Giordano Poneti; Peter S. D. Robinson; Ayman Nafady; Boujemaa Moubaraki; Jade B. Aitken; Simon C. Drew; Chris Ritchie; Brendan F. Abrahams; Rosalie K. Hocking; Keith S. Murray; Alan M. Bond; Hugh H. Harris; Lorenzo Sorace; Colette Boskovic","Redox Activity and Two-Step Valence Tautomerism in a Family of Dinuclear Cobalt Complexes with a Spiroconjugated Bis(dioxolene) Ligand","Journal of the American Chemical Society","2013","135","","8304","8323","10.1021/ja4021155","","","1.54184","CuKα","","0.0761","0.0546","","","0.1374","0.1506","","","","","","1.052","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119833","22.8044","0.0009","41.7897","0.0011","17.9753","0.0009","90","","90","","90","","17130.3","1.2","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C69 H80 Co2 F24 N8 O8 P4 -","- C63 H68 Co2 F18 N8 O6 P3 -","- C504 H544 Co16 F144 N64 O48 P24 -","8","1","","Kerwyn G. Alley; Giordano Poneti; Peter S. D. Robinson; Ayman Nafady; Boujemaa Moubaraki; Jade B. Aitken; Simon C. Drew; Chris Ritchie; Brendan F. Abrahams; Rosalie K. Hocking; Keith S. Murray; Alan M. Bond; Hugh H. Harris; Lorenzo Sorace; Colette Boskovic","Redox Activity and Two-Step Valence Tautomerism in a Family of Dinuclear Cobalt Complexes with a Spiroconjugated Bis(dioxolene) Ligand","Journal of the American Chemical Society","2013","135","","8304","8323","10.1021/ja4021155","","","1.54184","CuKα","","0.1545","0.1114","","","0.3037","0.3312","","","","","","0.986","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119834","23.062","0.003","20.06","0.002","20.986","0.005","90","","110.978","0.007","90","","9065","3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 N11 O11 -","- C44 H51 N11 O11 -","- C352 H408 N88 O88 -","8","2","","Louis Adriaenssens; Carolina Estarellas; Andreas Vargas Jentzsch; Marta Martinez Belmonte; Stefan Matile; Pablo Ballester","Quantification of Nitrate-π Interactions and Selective Transport of Nitrate Using Calix[4]pyrroles with Two Aromatic Walls","Journal of the American Chemical Society","2013","135","","8324","8330","10.1021/ja4021793","","","0.71073","MoKα","","0.102","0.0547","","","0.132","0.1621","","","","","","1.026","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119835","10.0402","0.0008","10.6867","0.0008","11.3007","0.0009","109.28","0.003","102.198","0.003","91.952","0.003","1111.58","0.15","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C44 H51 Cl0.12 N10.88 O10.9 -","- C44 H51 Cl0.12 N10.88 O10.9 -","- C44 H51 Cl0.12 N10.88 O10.9 -","1","1","","Louis Adriaenssens; Carolina Estarellas; Andreas Vargas Jentzsch; Marta Martinez Belmonte; Stefan Matile; Pablo Ballester","Quantification of Nitrate-π Interactions and Selective Transport of Nitrate Using Calix[4]pyrroles with Two Aromatic Walls","Journal of the American Chemical Society","2013","135","","8324","8330","10.1021/ja4021793","","","0.71073","MoKα","","0.0442","0.0416","","","0.1145","0.1207","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119836","18.1252","0.0018","17.8848","0.0018","18.1859","0.0019","90","","115.66","0.002","90","","5313.9","0.9","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C86 H92 Cu2 F12 N8 O26 Rh4 S4 -","- C84 H84 Cu2 F6 N8 O20 Rh4 S2 -","- C168 H168 Cu4 F12 N16 O40 Rh8 S4 -","2","0.5","","Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin","Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer","Journal of the American Chemical Society","2013","135","","8125","8128","10.1021/ja402630g","","","0.71073","MoKα","","0.1266","0.1096","","","0.3247","0.3505","","","","","","1.461","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119837","9.7233","0.0001","16.49","0.0002","34.7166","0.0004","90","","94.394","0.001","90","","5550","0.11","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C94 H112 Cu2 F12 N8 O30 Rh4 S4 -","- C94 H112 Cu2 F12 N8 O30 Rh4 S4 -","- C188 H224 Cu4 F24 N16 O60 Rh8 S8 -","2","0.5","","Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin","Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer","Journal of the American Chemical Society","2013","135","","8125","8128","10.1021/ja402630g","","","1.54178","CuKα","","0.0587","0.046","","","0.1122","0.1192","","","","","","1.056","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119838","37.549","0.002","30.069","0.002","37.472","0.002","90","","114.19","0.003","90","","38593","4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C94 H115.33 Cu2 F12 N12 O35.67 Rh4 S4 -","- C90 H94.6667 Cu2 F10 N12 O28 Rh4 S3.33333 -","- C1080 H1136 Cu24 F120 N144 O336 Rh48 S40 -","12","1.5","","Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin","Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer","Journal of the American Chemical Society","2013","135","","8125","8128","10.1021/ja402630g","","","1.54178","CuKα","","0.1343","0.0905","","","0.254","0.2919","","","","","","1.031","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119839","41.014","0.0008","23.7783","0.0004","37.6234","0.0007","90","","103.62","0.001","90","","35660.1","1.1","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C103.67 H120.67 Cu2 F12 N8 O31 Rh4 S4 -","- C96.6667 H92 Cu2 F11 N8 O26 Rh4 S3.66667 -","- C1160 H1104 Cu24 F132 N96 O312 Rh48 S44 -","12","1.5","","Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin","Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer","Journal of the American Chemical Society","2013","135","","8125","8128","10.1021/ja402630g","","","1.54178","CuKα","","0.1273","0.0972","","","0.2704","0.301","","","","","","1.089","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119840","35.098","0.003","35.098","0.003","15.8896","0.0014","90","","90","","120","","16952","3","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C73 H90 Cu2 F6 N10 O25.33 Rh4 S2 -","- C72 H86 Cu2 F3 N10 O22.3333 Rh4 S -","- C432 H516 Cu12 F18 N60 O134 Rh24 S6 -","6","1","","Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin","Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer","Journal of the American Chemical Society","2013","135","","8125","8128","10.1021/ja402630g","","","0.71073","MoKα","","0.0831","0.0613","","","0.164","0.1788","","","","","","1.027","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119841","11.0061","0.001","16.7944","0.0015","30.67","0.003","90","","96.107","0.002","90","","5636.9","0.9","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C92 H118 Cu2 F12 N10 O34 Rh4 S4 -","- C88 H98 Cu2 N10 O22 Rh4 -","- C176 H196 Cu4 N20 O44 Rh8 -","2","0.5","","Sheng-Li Huang; Yue-Jian Lin; T. S. Andy Hor; Guo-Xin Jin","Cp*Rh-Based Heterometallic Metallarectangles: Size-Dependent Borromean Link Structures and Catalytic Acyl Transfer","Journal of the American Chemical Society","2013","135","","8125","8128","10.1021/ja402630g","","","0.71073","MoKα","","0.1155","0.0753","","","0.2089","0.2308","","","","","","1.038","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119842","9.3846","0.0003","9.3846","0.0003","10.7179","0.0007","90","","90","","120","","817.47","0.06","223","2","223","2","","","","","","","","4","P 31","P 31","144","","","","- C10 H9 Br O4 -","- C10 H9 Br O4 -","- C30 H27 Br3 O12 -","3","1","","Michael Wilking; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Ulrich Hennecke","Enantioselective, Desymmetrizing Bromolactonization of Alkynes","Journal of the American Chemical Society","2013","135","","8133","8136","10.1021/ja402910d","","","1.54178","CuKα","","0.0353","0.0334","","","0.0813","0.083","","","","","","1.071","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119843","8.2","0.016","17.1","0.03","21.72","0.04","90","","90","","90","","3046","10","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 F6 N2 Ni -","- C6 H6 F6 N2 Ni -","- C72 H72 F72 N24 Ni12 -","12","3","","Cheng-Pan Zhang; Huan Wang; Axel Klein; Christian Biewer; Kathrin Stirnat; Yoshitaka Yamaguchi; Long Xu; Valente Gomez-Benitez; David A. Vicic","A Five-Coordinate Nickel(II) Fluoroalkyl Complex as a Precursor to a Spectroscopically Detectable Ni(III) Species","Journal of the American Chemical Society","2013","135","","8141","8144","10.1021/ja4030462","","","0.71075","MoKα","","","0.1253","","","","0.4213","","","","","","1.048","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119844","8.015","0.008","13.092","0.013","19.236","0.019","90","","99.448","0.015","90","","1991","3","273","","273","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 F6 N2 Ni -","- C16 H15 F6 N3 Ni -","- C64 H60 F24 N12 Ni4 -","4","1","","Cheng-Pan Zhang; Huan Wang; Axel Klein; Christian Biewer; Kathrin Stirnat; Yoshitaka Yamaguchi; Long Xu; Valente Gomez-Benitez; David A. Vicic","A Five-Coordinate Nickel(II) Fluoroalkyl Complex as a Precursor to a Spectroscopically Detectable Ni(III) Species","Journal of the American Chemical Society","2013","135","","8141","8144","10.1021/ja4030462","","","0.71075","MoKα","","","0.1175","","","","0.3979","","","","","","1.084","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119845","10.6079","0.0003","19.1642","0.0005","18.4101","0.0005","90","","101.288","0.002","90","","3670.23","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 F10 N3 Ni -","- C38 H35 F10 N3 Ni -","- C152 H140 F40 N12 Ni4 -","4","1","","Cheng-Pan Zhang; Huan Wang; Axel Klein; Christian Biewer; Kathrin Stirnat; Yoshitaka Yamaguchi; Long Xu; Valente Gomez-Benitez; David A. Vicic","A Five-Coordinate Nickel(II) Fluoroalkyl Complex as a Precursor to a Spectroscopically Detectable Ni(III) Species","Journal of the American Chemical Society","2013","135","","8141","8144","10.1021/ja4030462","","","0.71073","MoKα","","0.0994","0.0706","","","0.1707","0.1907","","","","","","1.069","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119846","25.819","0.003","11.1285","0.0012","25.279","0.003","90","","98.476","0.003","90","","7184","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H87 F14 N9 Ni3 O -","- C68 H87 F14 N9 Ni3 O -","- C272 H348 F56 N36 Ni12 O4 -","4","1","","Cheng-Pan Zhang; Huan Wang; Axel Klein; Christian Biewer; Kathrin Stirnat; Yoshitaka Yamaguchi; Long Xu; Valente Gomez-Benitez; David A. Vicic","A Five-Coordinate Nickel(II) Fluoroalkyl Complex as a Precursor to a Spectroscopically Detectable Ni(III) Species","Journal of the American Chemical Society","2013","135","","8141","8144","10.1021/ja4030462","","","0.71073","MoKα","","0.1635","0.0767","","","0.1765","0.2135","","","","","","0.977","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119847","12.69","0.0012","15.1528","0.0012","33.412","0.002","90","","93.893","0.002","90","","6409.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 F9 N3 Ni O0.5 P -","- C30 H35 F9 N3 Ni O0.5 P -","- C240 H280 F72 N24 Ni8 O4 P8 -","8","2","","Cheng-Pan Zhang; Huan Wang; Axel Klein; Christian Biewer; Kathrin Stirnat; Yoshitaka Yamaguchi; Long Xu; Valente Gomez-Benitez; David A. Vicic","A Five-Coordinate Nickel(II) Fluoroalkyl Complex as a Precursor to a Spectroscopically Detectable Ni(III) Species","Journal of the American Chemical Society","2013","135","","8141","8144","10.1021/ja4030462","","","0.71073","MoKα","","0.1796","0.1136","","","0.3057","0.3392","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119848","13.3506","0.0002","13.27319","0.00012","24.3667","0.0003","90","","101.329","0.0014","90","","4233.77","0.09","110","0.1","110","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H43 Cl3 O3 Pd2 -","- C52 H43 Cl3 O3 Pd2 -","- C208 H172 Cl12 O12 Pd8 -","4","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.7107","MoKα","","0.0464","0.0333","","","0.072","0.0796","","","","","","1.073","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119849","12.2214","0.0004","12.8052","0.0003","15.0153","0.0003","114.651","0.002","96.795","0.002","95.356","0.002","2094.03","0.1","110","0.1","110","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 Cl2 O3 Pd2 -","- C52 H44 Cl2 O3 Pd2 -","- C104 H88 Cl4 O6 Pd4 -","2","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.7107","MoKα","","0.0531","0.0395","","","0.0907","0.1009","","","","","","1.086","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119850","13.613","0.0003","23.3621","0.0005","15.2236","0.0004","90","","114.397","0.003","90","","4409.2","0.2","109.95","0.1","109.95","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H48 O3 Pd2 -","- C57 H48 O3 Pd2 -","- C228 H192 O12 Pd8 -","4","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.7107","MoKα","","0.0613","0.044","","","0.0953","0.1038","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","178969","2020-10-21","18:00:00",""
"4119851","5.5583","0.0005","12.3283","0.001","13.5536","0.0011","72.101","0.002","85.651","0.002","83.415","0.002","877.16","0.13","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.71073","MoKα","","0.0632","0.0449","","","0.1162","0.1285","","","","","","1.037","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119852","15.6423","0.0012","23.0941","0.0017","16.1426","0.0012","90","","94.24","0.002","90","","5815.5","0.8","115","2","115","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H68 Cl2 O15 Pd2 -","- C64 H68 Cl2 O15 Pd2 -","- C256 H272 Cl8 O60 Pd8 -","4","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.71073","MoKα","","0.0791","0.0527","","","0.1201","0.1352","","","","","","1.066","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119853","12.145","0.005","12.382","0.005","15.969","0.006","108.248","0.008","102.07","0.008","94.818","0.008","2201.2","1.5","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H38 Cl2 F6 O3 Pd2 -","- C52 H38 Cl2 F6 O3 Pd2 -","- C104 H76 Cl4 F12 O6 Pd4 -","2","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.71073","MoKα","","0.101","0.0552","","","0.1195","0.1424","","","","","","1.021","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119854","13.2832","0.001","17.4986","0.0013","21.4602","0.0016","90","","107.099","0.002","90","","4767.7","0.6","115","2","115","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H56 O10 Pd2 -","- C57 H56 O10 Pd2 -","- C228 H224 O40 Pd8 -","4","1","","Anant R. Kapdi; Adrian C. Whitwood; David C. Williamson; Jason M. Lynam; Michael J. Burns; Thomas J. Williams; Alan J. Reay; Jordan Holmes; Ian J. S. Fairlamb","The Elusive Structure of Pd2(dba)3. Examination by Isotopic Labeling, NMR Spectroscopy, and X-ray Diffraction Analysis: Synthesis and Characterization of Pd2(dba-Z)3 Complexes","Journal of the American Chemical Society","2013","135","","8388","8399","10.1021/ja403259c","","","0.71073","MoKα","","0.0944","0.0497","","","0.1032","0.1183","","","","","","1.025","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119855","8.9055","0.0012","9.8677","0.0011","14.8112","0.0017","90","","107.445","0.004","90","","1241.7","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 F3 O5 S -","- C10 H15 F3 O5 S -","- C40 H60 F12 O20 S4 -","4","1","","Gorkem Gunbas; William L. Sheppard; James C. Fettinger; Marilyn M. Olmstead; Mark Mascal","Extreme Oxatriquinanes: Structural Characterization of α-Oxyoxonium Species with Extraordinarily Long Carbon-Oxygen Bonds","Journal of the American Chemical Society","2013","135","","8173","8176","10.1021/ja4032715","","","1.54178","CuKα","","0.036","0.0356","","","0.0906","0.0911","","","","","","1.116","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119856","10.6856","0.0016","9.2801","0.0014","13.1754","0.0019","90","","96.01","0.002","90","","1299.3","0.3","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 F3 O5 S -","- C11 H17 F3 O5 S -","- C44 H68 F12 O20 S4 -","4","1","","Gorkem Gunbas; William L. Sheppard; James C. Fettinger; Marilyn M. Olmstead; Mark Mascal","Extreme Oxatriquinanes: Structural Characterization of α-Oxyoxonium Species with Extraordinarily Long Carbon-Oxygen Bonds","Journal of the American Chemical Society","2013","135","","8173","8176","10.1021/ja4032715","","","0.71073","MoKα","","0.063","0.0403","","","0.086","0.0953","","","","","","1.105","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119857","20.1958","0.0009","20.5403","0.001","18.1628","0.0009","90","","96.318","0.003","90","","7488.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex 2a","","","- C40 H55 F3 N3 Nb -","- C40 H55 F3 N3 Nb -","- C320 H440 F24 N24 Nb8 -","8","2","","Thomas L. Gianetti; Robert G. Bergman; John Arnold","Dis-assembly of a Benzylic CF3 Group Mediated by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2013","135","","8145","8148","10.1021/ja4033007","","","0.71073","MoKα","","0.0604","0.04","","","0.0951","0.1053","","","","","","1.029","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119858","20.971","0.0016","16.6536","0.0013","22.7371","0.0017","90","","90","","90","","7940.8","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Complex 2b","","","- C41 H54 F6 N3 Nb -","- C41 H54 F6 N3 Nb -","- C328 H432 F48 N24 Nb8 -","8","1","","Thomas L. Gianetti; Robert G. Bergman; John Arnold","Dis-assembly of a Benzylic CF3 Group Mediated by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2013","135","","8145","8148","10.1021/ja4033007","","","0.71073","MoKα","","0.0307","0.0263","","","0.0611","0.0651","","","","","","1.074","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119859","9.2011","0.0004","18.8526","0.0009","9.5779","0.0004","90","","111.256","0.002","90","","1548.4","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Complex 3","","","- C33 H48 N3 Nb -","- C33 H48 N3 Nb -","- C66 H96 N6 Nb2 -","2","1","","Thomas L. Gianetti; Robert G. Bergman; John Arnold","Dis-assembly of a Benzylic CF3 Group Mediated by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2013","135","","8145","8148","10.1021/ja4033007","","","0.71073","MoKα","","0.0355","0.0312","","","0.0708","0.0733","","","","","","1.025","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119860","17.7537","0.0015","19.0483","0.0016","11.5495","0.0009","90","","120.096","0.001","90","","3379.2","0.5","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Complex 4","","","- C66 H102 N6 Nb2 -","- C66 H96 N6 Nb2 -","- C132 H192 N12 Nb4 -","2","0.25","","Thomas L. Gianetti; Robert G. Bergman; John Arnold","Dis-assembly of a Benzylic CF3 Group Mediated by a Niobium(III) Imido Complex","Journal of the American Chemical Society","2013","135","","8145","8148","10.1021/ja4033007","","","0.71073","MoKα","","0.0253","0.0244","","","0.0668","0.0675","","","","","","1.07","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119861","10.933","0.002","21.235","0.004","18.601","0.003","90","","101.37","0.003","90","","4233.7","1.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 N7 Sc Si -","- C40 H68 N7 Sc Si -","- C160 H272 N28 Sc4 Si4 -","4","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1224","0.0719","","","0.1791","0.2134","","","","","","0.916","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119862","9.8473","0.001","21.416","0.002","23.359","0.003","90","","95.307","0.002","90","","4905.1","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H74 N7 O Sc Si -","- C47 H74 N7 O Sc Si -","- C188 H296 N28 O4 Sc4 Si4 -","4","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1041","0.0511","","","0.1226","0.1473","","","","","","1.012","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119863","10.673","0.002","33.23","0.007","14.249","0.003","90","","111.753","0.003","90","","4693.7","1.7","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H72 N7 O Sc Si -","- C44 H72 N7 O Sc Si -","- C176 H288 N28 O4 Sc4 Si4 -","4","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1637","0.0635","","","0.0965","0.1191","","","","","","0.96","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119864","9.342","0.003","13.128","0.004","20.113","0.006","86.914","0.005","81.086","0.005","82.425","0.005","2414.2","1.3","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H76 N7 Sc Si -","- C49 H76 N7 Sc Si -","- C98 H152 N14 Sc2 Si2 -","2","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1019","0.0682","","","0.1869","0.2125","","","","","","1.012","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119865","12.5276","0.0011","19.4363","0.0018","24.043","0.002","90","","91.082","0.002","90","","5853.2","0.9","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H94 N8 Sc Si -","- C56 H94 N8 Sc Si -","- C224 H376 N32 Sc4 Si4 -","4","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1056","0.069","","","0.1895","0.218","","","","","","1.01","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119866","12.2682","0.0013","12.3135","0.0013","18.995","0.002","85.338","0.002","75.162","0.002","72.93","0.002","2651.5","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H77 N9 Sc Si -","- C53 H77 N9 Sc Si -","- C106 H154 N18 Sc2 Si2 -","2","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1071","0.0538","","","0.1336","0.1626","","","","","","0.993","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119867","12.1133","0.0013","18.69","0.002","24.395","0.003","90","","96.219","0.002","90","","5490.5","1.1","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H73 N8 S Sc Si -","- C47 H73 N8 S Sc Si -","- C188 H292 N32 S4 Sc4 Si4 -","4","1","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.0944","0.0606","","","0.1603","0.1763","","","","","","1.024","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119868","14.7364","0.0019","20.007","0.003","20.563","0.003","91.276","0.002","105.32","0.002","98.937","0.002","5763.4","1.4","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H76 N9 O2 Sc Si -","- C49 H76 N9 O2 Sc Si -","- C196 H304 N36 O8 Sc4 Si4 -","4","2","","Jiaxiang Chu; Christos E. Kefalidis; Laurent Maron; Xuebing Leng; Yaofeng Chen","Chameleon Behavior of a Newly Synthesized Scandium Nitrilimine Derivative","Journal of the American Chemical Society","2013","135","","8165","8168","10.1021/ja403387v","","","0.71073","MoKα","","0.1312","0.0745","","","0.1933","0.2219","","","","","","1.043","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119869","26.8784","0.0009","26.8784","0.0009","15.4839","0.0005","90","","90","","120","","9687.6","0.6","100","2","100","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","Mn2(DSBDC)","","","- C7.33 H8.78 Mn N1.11 O3.31 S -","- C7.34 H8.68 Mn N1.17 O3.295 S -","- C264.24 H312.48 Mn36 N42.12 O118.62 S36 -","36","1","","Lei Sun; Tomoyo Miyakai; Shu Seki; Mircea Dincă","Mn2(2,5-disulfhydrylbenzene-1,4-dicarboxylate): A Microporous Metal-Organic Framework with Infinite (-Mn-S-)\ιnftyChains and High Intrinsic Charge Mobility","Journal of the American Chemical Society","2013","135","","8185","8188","10.1021/ja4037516","","","0.71073","MoKα","","0.0351","0.0313","","","0.1019","0.1049","","","","","","1.126","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119870","18.767","0.005","7.5444","0.0019","16.488","0.004","90","","106.007","0.003","90","","2244","1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Fe N4 O3 -","- C22 H26 Fe N4 O3 -","- C88 H104 Fe4 N16 O12 -","4","1","","Randara Pulukkody; Samuel J. Kyran; Ryan D. Bethel; Chung-Hung Hsieh; Michael B. Hall; Donald J. Darensbourg; Marcetta Y. Darensbourg","Carbon Monoxide Induced Reductive Elimination of Disulfide in an N-Heterocyclic Carbene (NHC)/ Thiolate Dinitrosyl Iron Complex (DNIC)","Journal of the American Chemical Society","2013","135","","8423","8430","10.1021/ja403916v","","","0.71073","MoKα","","0.0515","0.0389","","","0.0994","0.1069","","","","","","1.044","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119871","16.241","0.004","8.1981","0.0019","22.138","0.005","90","","92.64","0.009","90","","2944.4","1.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H72 Fe2 N8 O5 S2 -","- C58 H72 Fe2 N8 O5 S2 -","- C116 H144 Fe4 N16 O10 S4 -","2","0.5","","Randara Pulukkody; Samuel J. Kyran; Ryan D. Bethel; Chung-Hung Hsieh; Michael B. Hall; Donald J. Darensbourg; Marcetta Y. Darensbourg","Carbon Monoxide Induced Reductive Elimination of Disulfide in an N-Heterocyclic Carbene (NHC)/ Thiolate Dinitrosyl Iron Complex (DNIC)","Journal of the American Chemical Society","2013","135","","8423","8430","10.1021/ja403916v","","","0.71073","MoKα","","0.0995","0.0589","","","0.1573","0.1956","","","","","","1.066","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119872","14.3605","0.0009","33.178","0.002","14.9816","0.0009","90","","106.724","0.002","90","","6836.1","0.7","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H38 Au2 Cl4 O2.66667 P2 -","- C45 H38 Au2 Cl4 O2.66667 P2 -","- C270 H228 Au12 Cl24 O16 P12 -","6","3","","Zhong-Yan Cao; Xiaoming Wang; Chen Tan; Xiao-Li Zhao; Jian Zhou; Kuiling Ding","Highly Stereoselective Olefin Cyclopropanation of Diazooxindoles Catalyzed by a C2-Symmetric Spiroketal Bisphosphine/Au(I) Complex","Journal of the American Chemical Society","2013","135","","8197","8200","10.1021/ja4040895","","","0.71073","MoKα","","0.0744","0.0492","","","0.1047","0.1158","","","","","","1.048","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119873","9.4359","0.0013","7.5627","0.0011","27.646","0.004","90","","97.115","0.004","90","","1957.7","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H16 Br N O3 S -","- C23 H16 Br N O3 S -","- C92 H64 Br4 N4 O12 S4 -","4","2","","Zhong-Yan Cao; Xiaoming Wang; Chen Tan; Xiao-Li Zhao; Jian Zhou; Kuiling Ding","Highly Stereoselective Olefin Cyclopropanation of Diazooxindoles Catalyzed by a C2-Symmetric Spiroketal Bisphosphine/Au(I) Complex","Journal of the American Chemical Society","2013","135","","8197","8200","10.1021/ja4040895","","","0.71073","MoKα","","0.1114","0.0965","","","0.2647","0.2746","","","","","","1.123","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119874","11.2515","0.0005","12.1303","0.0006","16.1131","0.0008","90","","90","","90","","2199.18","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O6 S -","- C24 H20 N2 O6 S -","- C96 H80 N8 O24 S4 -","4","1","","Zhong-Yan Cao; Xiaoming Wang; Chen Tan; Xiao-Li Zhao; Jian Zhou; Kuiling Ding","Highly Stereoselective Olefin Cyclopropanation of Diazooxindoles Catalyzed by a C2-Symmetric Spiroketal Bisphosphine/Au(I) Complex","Journal of the American Chemical Society","2013","135","","8197","8200","10.1021/ja4040895","","","0.71073","MoKα","","0.0511","0.0373","","","0.0873","0.0955","","","","","","1.056","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119875","11.1217","0.0004","8.7843","0.0004","11.5453","0.0008","90","","112.876","0.008","90","","1039.22","0.11","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br2 N2 O4 -","- C20 H20 Br2 N2 O4 -","- C40 H40 Br4 N4 O8 -","2","1","","Chaosheng Luo; Yong Huang","A Highly Diastereo- and Enantioselective Synthesis of Tetrahydroquinolines: Quaternary Stereogenic Center Inversion and Functionalization","Journal of the American Chemical Society","2013","135","","8193","8196","10.1021/ja4040945","","","1.54187","CuKα","","0.0391","0.0318","","","0.0712","0.102","","","","","","1.148","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119876","10.5847","0.0007","19.1965","0.0003","10.5551","0.0007","90","","97.888","0.007","90","","2124.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C88 H104 N8 O24 -","4","1","","Chaosheng Luo; Yong Huang","A Highly Diastereo- and Enantioselective Synthesis of Tetrahydroquinolines: Quaternary Stereogenic Center Inversion and Functionalization","Journal of the American Chemical Society","2013","135","","8193","8196","10.1021/ja4040945","","","1.54187","CuKα","","0.0572","0.0441","","","0.1305","0.1707","","","","","","1.05","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119877","8.5441","0.0017","14.75","0.004","32.006","0.007","90","","90","","90","","4033.6","1.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O6 -","- C22 H26 N2 O6 -","- C176 H208 N16 O48 -","8","1","","Chaosheng Luo; Yong Huang","A Highly Diastereo- and Enantioselective Synthesis of Tetrahydroquinolines: Quaternary Stereogenic Center Inversion and Functionalization","Journal of the American Chemical Society","2013","135","","8193","8196","10.1021/ja4040945","","","1.54187","CuKα","","0.0962","0.0653","","","0.1474","0.2077","","","","","","1.738","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119878","23.1051","0.0004","9.133","0.0002","18.7882","0.0013","90","","91.64","0.011","90","","3963","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 N2 O5 -","- C21 H22 N2 O5 -","- C168 H176 N16 O40 -","8","1","","Chaosheng Luo; Yong Huang","A Highly Diastereo- and Enantioselective Synthesis of Tetrahydroquinolines: Quaternary Stereogenic Center Inversion and Functionalization","Journal of the American Chemical Society","2013","135","","8193","8196","10.1021/ja4040945","","","1.54178","CuKα","","0.0507","0.0412","","","0.1133","0.1204","","","","","","1.005","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119879","12.7403","0.0005","25.8323","0.001","12.1352","0.0005","90","","90","","90","","3993.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H19 Br N2 O3 -","- C22 H19 Br N2 O3 -","- C176 H152 Br8 N16 O24 -","8","2","","Jeremy M. John; Satoshi Takebayashi; Nupur Dabral; Mark Miskolzie; Steven H. Bergens","Base-Catalyzed Bifunctional Addition to Amides and Imides at Low Temperature. A New Pathway for Carbonyl Hydrogenation","Journal of the American Chemical Society","2013","135","","8578","8584","10.1021/ja401294q","","","0.71073","MoKα","","0.0423","0.0354","","","0.0887","0.0921","","","","","","1.028","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119880","14.7311","0.0019","9.9389","0.0011","18.389","0.002","90","","98.05","0.0018","90","","2665.8","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl2 Fe N6 O9 -","- C22 H26 Cl2 Fe N6 O9 -","- C88 H104 Cl8 Fe4 N24 O36 -","4","1","","Takeshi Matsumoto; Ho-Chol Chang; Masanori Wakizaka; Sho Ueno; Atsushi Kobayashi; Akira Nakayama; Tetsuya Taketsugu; Masako Kato","Nonprecious-Metal-Assisted Photochemical Hydrogen Production from ortho-Phenylenediamine","Journal of the American Chemical Society","2013","135","","8646","8654","10.1021/ja4025116","","","0.71075","MoKα","","","0.0652","","","","0.1761","","","","","","1.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119881","17.849","0.002","8.3097","0.0009","18.998","0.002","90","","100.526","0.0015","90","","2770.4","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl2 Fe N6 O9 -","- C22 H32 Cl2 Fe N6 O9 -","- C88 H128 Cl8 Fe4 N24 O36 -","4","1","","Takeshi Matsumoto; Ho-Chol Chang; Masanori Wakizaka; Sho Ueno; Atsushi Kobayashi; Akira Nakayama; Tetsuya Taketsugu; Masako Kato","Nonprecious-Metal-Assisted Photochemical Hydrogen Production from ortho-Phenylenediamine","Journal of the American Chemical Society","2013","135","","8646","8654","10.1021/ja4025116","","","0.71075","MoKα","","","0.0566","","","","0.1533","","","","","","1.125","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119882","11.7115","0.0004","31.9453","0.0007","9.5068","0.0003","90","","109.821","0.004","90","","3346.04","0.19","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Br2 Cr Fe Mn N4 O14 -","- C27 H26 Br2 Cr Fe Mn N4 O14 -","- C108 H104 Br8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.71073","MoKα","","0.0753","0.0545","","","0.1031","0.1098","","","","","","1.176","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119883","12.1735","0.0006","32.3048","0.0009","9.4392","0.0004","90","","111.274","0.005","90","","3459.1","0.3","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Br2 Cr Fe Mn N4 O14 -","- C27 H26 Br2 Cr Fe Mn N4 O14 -","- C108 H104 Br8 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.71073","MoKα","","0.1724","0.0794","","","0.185","0.2291","","","","","","1.025","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119884","11.9224","0.0005","31.8487","0.0008","9.6032","0.0003","90","","110.582","0.004","90","","3413.7","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Br3 Cr Fe Mn N4 O14 -","- C27 H25 Br3 Cr Fe Mn N4 O14 -","- C108 H100 Br12 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.71073","MoKα","","0.0957","0.0608","","","0.127","0.1425","","","","","","1.061","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119885","12.2769","0.0004","32.0813","0.0008","9.5335","0.0003","90","","110.849","0.004","90","","3509","0.2","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Br3 Cr Fe Mn N4 O14 -","- C27 H25 Br3 Cr Fe Mn N4 O14 -","- C108 H100 Br12 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.71073","MoKα","","0.1312","0.0649","","","0.141","0.1701","","","","","","1.03","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119886","11.7374","0.0014","31.67","0.003","9.58","0.0009","90","","111.136","0.012","90","","3321.5","0.7","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl3 Cr Fe Mn N4 O14 -","- C27 H25 Cl3 Cr Fe Mn N4 O14 -","- C108 H100 Cl12 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.7107","MoKα","","0.1589","0.0481","","","0.0701","0.0813","","","","","","0.638","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119887","12.1519","0.0017","31.939","0.004","9.4867","0.0012","90","","111.48","0.015","90","","3426.2","0.9","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Cl3 Cr Fe Mn N4 O14 -","- C27 H25 Cl3 Cr Fe Mn N4 O14 -","- C108 H100 Cl12 Cr4 Fe4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.7107","MoKα","","0.2675","0.051","","","0.0869","0.1078","","","","","","0.577","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119888","11.6634","0.0006","31.4028","0.0011","9.327","0.0004","90","","109.747","0.005","90","","3215.2","0.3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Fe N4 O14 Zn -","- C27 H26 Cl2 Cr Fe N4 O14 Zn -","- C108 H104 Cl8 Cr4 Fe4 N16 O56 Zn4 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","0.71073","","","0.1825","0.0493","","","0.0729","0.0867","","","","","","0.665","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119889","12.0528","0.0009","32.1554","0.0015","9.4707","0.0006","90","","112.297","0.008","90","","3396","0.4","273","2","273","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl2 Cr Ga Mn N4 O14 -","- C27 H26 Cl2 Cr Ga Mn N4 O14 -","- C108 H104 Cl8 Cr4 Ga4 Mn4 N16 O56 -","4","1","","Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot","Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets","Journal of the American Chemical Society","2013","135","","8655","8667","10.1021/ja402674x","","","1.5418","CuKα","","0.1088","0.0709","","","0.1855","0.2248","","","","","","1.074","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119890","17.7545","0.0017","9.4067","0.0009","19.5299","0.0018","90","","109.827","0.001","90","","3068.4","0.5","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 Co N P2 Si -","- C32 H39 Co N P2 Si -","- C128 H156 Co4 N4 P8 Si4 -","4","1","","Guoqi Zhang; Kalyan V. Vasudevan; Brian L. Scott; Susan K. Hanson","Understanding the Mechanisms of Cobalt-Catalyzed Hydrogenation and Dehydrogenation Reactions","Journal of the American Chemical Society","2013","135","","8668","8681","10.1021/ja402679a","","","0.71073","MoKα","","0.0516","0.0343","","","0.0717","0.0766","","","","","","1.234","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119891","13.1867","0.0007","15.8001","0.0009","18.064","0.001","79.928","0.001","85.342","0.001","86.503","0.001","3689.2","0.4","140","1","140","1","","","","","","","","8","P -1","-P 1","2","","","","- C72 H82 B Co F24 N O2 P2 -","- C72 H82 B Co F24 N O2 P2 -","- C144 H164 B2 Co2 F48 N2 O4 P4 -","2","1","","Guoqi Zhang; Kalyan V. Vasudevan; Brian L. Scott; Susan K. Hanson","Understanding the Mechanisms of Cobalt-Catalyzed Hydrogenation and Dehydrogenation Reactions","Journal of the American Chemical Society","2013","135","","8668","8681","10.1021/ja402679a","","","0.71073","MoKα","","0.0909","0.0669","","","0.2174","0.2448","","","","","","1.145","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119892","13.3551","0.0012","28.907","0.003","14.9499","0.0013","90","","95.052","0.001","90","","5749.1","0.9","120","1","120","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H92 B Co N O P2 Si -","- C60 H92 B Co N O P2 Si -","- C240 H368 B4 Co4 N4 O4 P8 Si4 -","4","1","","Guoqi Zhang; Kalyan V. Vasudevan; Brian L. Scott; Susan K. Hanson","Understanding the Mechanisms of Cobalt-Catalyzed Hydrogenation and Dehydrogenation Reactions","Journal of the American Chemical Society","2013","135","","8668","8681","10.1021/ja402679a","","","0.71073","MoKα","","0.1065","0.0495","","","0.0914","0.1102","","","","","","1.012","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119893","13.4956","0.0009","15.1512","0.0011","18.5335","0.0013","89.92","0.001","89.466","0.001","79.302","0.001","3723.6","0.5","120","1","120","1","","","","","","","","9","P -1","-P 1","2","","","","- C77 H106 B Co F24 N O P2 Si -","- C65 H78 B Co F24 N P2 Si -","- C130 H156 B2 Co2 F48 N2 P4 Si2 -","2","1","","Guoqi Zhang; Kalyan V. Vasudevan; Brian L. Scott; Susan K. Hanson","Understanding the Mechanisms of Cobalt-Catalyzed Hydrogenation and Dehydrogenation Reactions","Journal of the American Chemical Society","2013","135","","8668","8681","10.1021/ja402679a","","","0.71073","MoKα","","0.0819","0.0566","","","0.1471","0.1579","","","","","","1.122","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119894","16.4488","0.001","21.9312","0.0014","20.4269","0.0013","90","","107.596","0.001","90","","7024.1","0.8","140","1","140","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H75 B Co F24 N O2 P2 -","- C69 H75 B Co F24 N O2 P2 -","- C276 H300 B4 Co4 F96 N4 O8 P8 -","4","1","","Guoqi Zhang; Kalyan V. Vasudevan; Brian L. Scott; Susan K. Hanson","Understanding the Mechanisms of Cobalt-Catalyzed Hydrogenation and Dehydrogenation Reactions","Journal of the American Chemical Society","2013","135","","8668","8681","10.1021/ja402679a","","","0.71073","MoKα","","0.1128","0.0701","","","0.1816","0.2036","","","","","","1.336","","","","has coordinates,has disorder","178969","2020-10-21","18:00:00",""
"4119895","7.472","0.0006","11.818","0.0009","12.487","0.0009","98.147","0.003","94.312","0.003","91.124","0.004","1087.92","0.14","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 B2 Cl2 P -","- C21 H31 B2 Cl2 P -","- C42 H62 B4 Cl4 P2 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0498","0.0409","","","0.1113","0.1175","","","","","","1.036","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119896","7.6981","0.0004","11.697","0.0006","24.5559","0.0013","90","","93.652","0.002","90","","2206.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H31 B2 Br2 P -","- C21 H31 B2 Br2 P -","- C84 H124 B8 Br8 P4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0238","0.0207","","","0.0519","0.0533","","","","","","1.069","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119897","7.5412","0.0006","15.1166","0.0012","21.87","0.0017","90","","96.82","0.003","90","","2475.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H37 B2 Cl2 P -","- C24 H37 B2 Cl2 P -","- C96 H148 B8 Cl8 P4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0383","0.035","","","0.0914","0.0937","","","","","","1.124","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119898","20.1704","0.0013","7.987","0.0005","18.0753","0.0011","90","","93.642","0.003","90","","2906.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 B2 I2 P -","- C27 H40 B2 I2 P -","- C108 H160 B8 I8 P4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0153","0.0139","","","0.0339","0.0347","","","","","","1.064","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119899","14.5349","0.0009","24.6884","0.0016","18.355","0.0013","90","","110.514","0.004","90","","6168.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 B2 Cl2 P -","- C31 H47 B2 Cl2 P -","- C248 H376 B16 Cl16 P8 -","8","2","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.1365","0.057","","","0.1002","0.1234","","","","","","0.987","","","","has coordinates","178969","2020-10-21","18:00:00",""
"4119900","10.837","0.002","16.842","0.004","21.473","0.005","90","","93.134","0.003","90","","3913.3","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H47 B2 I2 P -","- C31 H47 B2 I2 P -","- C124 H188 B8 I8 P4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0562","0.0444","","","0.1129","0.1178","","","","","","1.038","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119901","9.7256","0.0003","15.195","0.0005","24.2696","0.0006","90","","97.293","0.001","90","","3557.56","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 B2 Br2 N2 -","- C39 H48 B2 Br2 N2 -","- C156 H192 B8 Br8 N8 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0455","0.034","","","0.0864","0.0909","","","","","","1.063","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119902","14.7943","0.0011","14.7283","0.001","22.0276","0.0016","90","","107.558","0.002","90","","4576.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H64 B2 Cl2 N2 -","- C51 H64 B2 Cl2 N2 -","- C204 H256 B8 Cl8 N8 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0557","0.0397","","","0.0957","0.105","","","","","","1.013","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119903","10.7756","0.0006","12.166","0.0007","25.4888","0.0016","90","","90","","90","","3341.5","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H28 B Cl N2 -","- C15 H28 B Cl N2 -","- C120 H224 B8 Cl8 N16 -","8","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0565","0.0403","","","0.094","0.1013","","","","","","1.05","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119904","8.7992","0.0004","9.5148","0.0004","18.5325","0.0008","85.94","0.002","83.883","0.002","73.309","0.002","1476.44","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H41 B2 Br2 N4 -","- C28 H41 B2 Br2 N4 -","- C56 H82 B4 Br4 N8 -","2","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0368","0.0283","","","0.0696","0.0721","","","","","","1.021","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119905","10.6029","0.0007","21.0437","0.0013","17.0241","0.001","90","","106.973","0.002","90","","3633","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 B2 Br2 Cl2 N4 -","- C32 H50 B2 Br2 Cl2 N4 -","- C128 H200 B8 Br8 Cl8 N16 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0415","0.0291","","","0.0674","0.072","","","","","","1.038","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119906","15.7368","0.0008","7.9214","0.0004","16.2537","0.0009","90","","112.118","0.002","90","","1877.04","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H33 B2 Cl2 P -","- C14 H33 B2 Cl2 P -","- C56 H132 B8 Cl8 P4 -","4","1","","Holger Braunschweig; Alexander Damme; Rian D. Dewhurst; Thomas Kramer; Thomas Kupfer; Krzysztof Radacki; Eva Siedler; Alexandra Trumpp; Katharina Wagner; Christine Werner","Quaternizing Diboranes(4): Highly Divergent Outcomes and an Inorganic Wagner-Meerwein Rearrangement","Journal of the American Chemical Society","2013","135","","8702","8707","10.1021/ja403037k","","","0.71073","MoKα","","0.0678","0.0538","","","0.1308","0.1425","","","","","","1.04","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119907","55.225","0.011","62.596","0.012","80.209","0.016","90","","90","","90","","277272","9","223","2","223","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C773 H1132 Cd48 N48 Nd16 O362 -","- C773 H1132 Cd48 N48 Nd16 O362 -","- C6184 H9056 Cd384 N384 Nd128 O2896 -","8","0.25","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.1622","0.0867","","","0.2167","0.2892","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119908","55.136","0.011","62.366","0.013","80.089","0.016","90","","90","","90","","275395","10","223","2","223","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C749 H1035 Cd48 Gd16 N48 O336 -","- C749 H1035 Cd48 Gd16 N48 O336 -","- C5992 H8280 Cd384 Gd128 N384 O2688 -","8","0.25","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.2186","0.0989","","","0.2384","0.2871","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119909","54.829","0.011","61.684","0.012","79.609","0.016","90","","90","","90","","269243","9","223","2","223","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C778 H1159 Cd48 Er16 N48 O382 -","- C778 H1159 Cd48 Er16 N48 O382 -","- C6224 H9272 Cd384 Er128 N384 O3056 -","8","0.25","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.2085","0.0952","","","0.2504","0.2972","","","","","","1.171","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119910","54.549","0.011","61.511","0.012","79.622","0.016","90","","90","","90","","267161","9","223","2","223","1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C770 H1144 Cd48 N48 O360 Yb16 -","- C770 H1144 Cd48 N48 O360 Yb16 -","- C6160 H9152 Cd384 N384 O2880 Yb128 -","8","0.25","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.1399","0.079","","","0.2089","0.2945","","","","","","1.177","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119911","51.623","0.007","51.623","0.007","24.455","0.005","90","","90","","120","","56440","16","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C254 H317 Cd18 Cl8 N18 Nd6 O92 -","- C254 H317 Cd18 Cl8 N18 Nd6 O92 -","- C1524 H1902 Cd108 Cl48 N108 Nd36 O552 -","6","1","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.152","0.0808","","","0.1926","0.2268","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119912","51.282","0.007","51.282","0.007","24.391","0.005","90","","90","","120","","55551","16","223","2","223","1","","","","","","","","7","P -3","-P 3","147","","","","- C254 H317 Cd18 Cl8 Gd6 N18 O92 -","- C254 H317 Cd18 Cl8 Gd6 N18 O92 -","- C1524 H1902 Cd108 Cl48 Gd36 N108 O552 -","6","1","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.1026","0.0674","","","0.1765","0.1926","","","","","","1.102","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119913","42.031","0.008","22.983","0.005","47.422","0.01","90","","113.66","0.03","90","","41959","18","223","2","223","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C250 H312 Cd18 Cl10 Er6 N18 O88 -","- C250 H312 Cd18 Cl10 Er6 N18 O88 -","- C1000 H1248 Cd72 Cl40 Er24 N72 O352 -","4","0.5","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.1382","0.0805","","","0.1843","0.2101","","","","","","1.041","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119914","41.902","0.008","22.836","0.005","47.352","0.01","90","","112.95","0.03","90","","41723","18","223","2","223","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C250 H312 Cd18 Cl10 N18 O88 Yb6 -","- C250 H312 Cd18 Cl10 N18 O88 Yb6 -","- C1000 H1248 Cd72 Cl40 N72 O352 Yb24 -","4","0.5","","Xiaoping Yang; Desmond Schipper; Richard A. Jones; Lauren A. Lytwak; Bradley J. Holliday; Shaoming Huang","Anion-Dependent Self-Assembly of Near-Infrared Luminescent 24- and 32-Metal Cd-Ln Complexes with Drum-like Architectures","Journal of the American Chemical Society","2013","135","","8468","8471","10.1021/ja4031243","","","0.710747","MoKα","","0.0671","0.055","","","0.1548","0.1657","","","","","","1.058","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4119915","39.03","0.002","39.03","0.002","39.03","0.002","90","","90","","90","","59456","5","100","2","100","2","","","","","","","","8","P n -3 n","-P 4a 2bc 3","222","","","","- C288 H200 B6.67 Cl1.33 F26.67 N16 O16 Pd4 -","- C288 H200 B6.6664 Cl1.3334 F26.6656 N16 O16 Pd4 -","- C1728 H1200 B39.9984 Cl8.0004 F159.994 N96 O96 Pd24 -","6","","","Sabrina Freye; Reent Michel; Dietmar Stalke; Martin Pawliczek; Holm Frauendorf; Guido H. Clever","Template Control over Dimerization and Guest Selectivity of Interpenetrated Coordination Cages","Journal of the American Chemical Society","2013","135","","8476","8479","10.1021/ja403184a","","","0.71073","MoKα","","0.2266","0.2212","","","0.5388","0.5471","","","","","","5.46","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119916","11.286","0.002","13.926","0.003","18.622","0.004","79.96","0.007","81.875","0.007","80.66","0.007","2824.5","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 B F12 Mn O3 -","- C28 H20 B F12 Mn O3 -","- C112 H80 B4 F48 Mn4 O12 -","4","2","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.1034","0.0615","","","0.1489","0.1717","","","","","","1.021","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119917","11.4741","0.0006","14.0262","0.0008","15.9012","0.0009","87.409","0.002","77.535","0.003","72.269","0.002","2379.5","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H11 F12 Mn O2 -","- C24 H11 F12 Mn O2 -","- C96 H44 F48 Mn4 O8 -","4","2","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.1199","0.0736","","","0.1968","0.2265","","","","","","1.043","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119918","10.8202","0.0005","11.6133","0.0006","13.7381","0.0007","90","","91.249","0.002","90","","1725.9","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Mn O2 -","- C22 H19 Mn O2 -","- C88 H76 Mn4 O8 -","4","1","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.0375","0.0296","","","0.0758","0.0805","","","","","","1.027","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119919","6.7387","0.0013","9.5344","0.0019","12.317","0.003","104.2","0.04","102.87","0.03","104.9","0.03","706","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H19 Mn O2 -","- C17 H19 Mn O2 -","- C34 H38 Mn2 O4 -","2","1","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.0473","0.0447","","","0.1162","0.1172","","","","","","1.106","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119920","12.0829","0.0005","9.4735","0.0003","15.2372","0.0006","90","","109.074","0.002","90","","1648.4","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Mn O2 -","- C22 H15 Mn O2 -","- C88 H60 Mn4 O8 -","4","1","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.0256","0.0235","","","0.0634","0.065","","","","","","1.041","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119921","13.9003","0.0009","9.3315","0.0005","19.1191","0.001","90","","110.082","0.003","90","","2329.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 B Mn N2 O2 -","- C24 H36 B Mn N2 O2 -","- C96 H144 B4 Mn4 N8 O8 -","4","1","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.0564","0.0396","","","0.0861","0.0931","","","","","","1.013","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119922","15.2691","0.0004","14.7958","0.0004","45.4046","0.0011","90","","90","","90","","10257.7","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 B Fe O4 P -","- C26 H36 B Fe O4 P -","- C416 H576 B16 Fe16 O64 P16 -","16","2","","Jürgen Bauer; Holger Braunschweig; Alexander Damme; Jose Oscar Carlos; Jimenez-Halla, Thomas Kramer; Krzysztof Radacki; Rong Shang; Eva Siedler; Qing Ye","Metathesis Reactions of a Manganese Borylene Complex with Polar Heteroatom-Carbon Double Bonds: A Pathway to Previously Inaccessible Carbene Complexes","Journal of the American Chemical Society","2013","135","","8726","8734","10.1021/ja403389w","","","0.71073","MoKα","","0.0661","0.0439","","","0.0954","0.104","","","","","","1.139","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119923","15.4759","0.001","12.6368","0.0008","12.476","0.0008","90","","100.839","0.003","90","","2396.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N O8 -","- C23 H31 N O8 -","- C92 H124 N4 O32 -","4","1","","Stefan Diethelm; Erick M. Carreira","Total Synthesis of (\±)-Gelsemoxonine","Journal of the American Chemical Society","2013","135","","8500","8503","10.1021/ja403823n","","","1.54178","CuKα","","0.041","0.0356","","","0.1048","0.1082","","","","","","1.657","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119924","9.9057","0.001","10.7324","0.0011","12.5346","0.0014","108.396","0.003","93.92","0.004","101.374","0.003","1227.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H33 N O9 -","- C23 H33 N O9 -","- C46 H66 N2 O18 -","2","1","","Stefan Diethelm; Erick M. Carreira","Total Synthesis of (\±)-Gelsemoxonine","Journal of the American Chemical Society","2013","135","","8500","8503","10.1021/ja403823n","","","0.71073","MoKα","","0.0623","0.0427","","","0.0992","0.1095","","","","","","1.156","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119925","5.8036","0.0005","21.9511","0.0018","14.3746","0.0012","90","","95.263","0.005","90","","1823.5","0.3","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Br N O3 S -","- C19 H20 Br N O3 S -","- C76 H80 Br4 N4 O12 S4 -","4","2","","Nicholas A. White; Daniel A. DiRocco; Tomislav Rovis","Asymmetric N-Heterocyclic Carbene Catalyzed Addition of Enals to Nitroalkenes: Controlling Stereochemistry via the Homoenolate Reactivity Pathway To Access δ-Lactams","Journal of the American Chemical Society","2013","135","","8504","8507","10.1021/ja403847e","","","0.71073","MoKα","","0.0659","0.0453","","","0.088","0.0964","","","","","","1.046","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119926","18.6914","0.001","10.6191","0.0005","17.3286","0.0008","90","","106.406","0.002","90","","3299.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H33 B Cl2 P2 Ru -","- C42 H33 B Cl2 P2 Ru -","- C168 H132 B4 Cl8 P8 Ru4 -","4","1","","Michael P. Boone; Douglas W. Stephan","A Ru-η6-Arene Complex as a C-Based Lewis Acid in the Activation of Hydrogen and Hydrogenation Catalysis","Journal of the American Chemical Society","2013","135","","8508","8511","10.1021/ja403912n","","","0.71073","MoKα","","0.0726","0.0493","","","0.1097","0.119","","","","","","1.066","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119927","12.9737","0.0009","16.0623","0.0012","16.2961","0.0011","108.067","0.004","101.46","0.004","93.887","0.004","3133.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H45 B2 Cl F20 P2 Ru -","- C72 H45 B2 Cl F20 P2 Ru -","- C144 H90 B4 Cl2 F40 P4 Ru2 -","2","1","","Michael P. Boone; Douglas W. Stephan","A Ru-η6-Arene Complex as a C-Based Lewis Acid in the Activation of Hydrogen and Hydrogenation Catalysis","Journal of the American Chemical Society","2013","135","","8508","8511","10.1021/ja403912n","","","0.71073","MoKα","","0.0648","0.0402","","","0.0876","0.098","","","","","","1.011","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119928","12.1259","0.0004","18.9559","0.0007","19.0521","0.0007","94.198","0.002","104.673","0.002","94.291","0.002","4205.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H66 B2 Cl F20 P3 Ru -","- C84 H66 B2 Cl F20 P3 Ru -","- C168 H132 B4 Cl2 F40 P6 Ru2 -","2","1","","Michael P. Boone; Douglas W. Stephan","A Ru-η6-Arene Complex as a C-Based Lewis Acid in the Activation of Hydrogen and Hydrogenation Catalysis","Journal of the American Chemical Society","2013","135","","8508","8511","10.1021/ja403912n","","","0.71073","MoKα","","0.1058","0.0537","","","0.1086","0.1208","","","","","","0.963","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119929","11.9774","0.0005","12.7147","0.0006","14.4141","0.0007","94.881","0.002","99.001","0.002","105.431","0.002","2071.33","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H52 B Br P2 Ru -","- C51 H52 B Br P2 Ru -","- C102 H104 B2 Br2 P4 Ru2 -","2","1","","Michael P. Boone; Douglas W. Stephan","A Ru-η6-Arene Complex as a C-Based Lewis Acid in the Activation of Hydrogen and Hydrogenation Catalysis","Journal of the American Chemical Society","2013","135","","8508","8511","10.1021/ja403912n","","","0.71073","MoKα","","0.0764","0.0419","","","0.073","0.0824","","","","","","1.016","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119930","10.6015","0.0005","8.0107","0.0005","14.2626","0.0011","90","","92.799","0.007","90","","1209.81","0.13","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F3 N2 O2 -","- C12 H9 F3 N2 O2 -","- C48 H36 F12 N8 O8 -","4","1","","Jian-Jun Dai; Chi Fang; Bin Xiao; Jun Yi; Jun Xu; Zhao-Jing Liu; Xi Lu; Lei Liu; Yao Fu","Copper-Promoted Sandmeyer Trifluoromethylation Reaction","Journal of the American Chemical Society","2013","135","","8436","8439","10.1021/ja404217t","","","0.71073","MoKα","","0.1075","0.0669","","","0.153","0.1774","","","","","","1.047","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119931","7.7098","0.0004","8.8646","0.0006","11.5586","0.0005","90","","97.321","0.004","90","","783.52","0.08","290","2","290","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H13 F3 Fe -","- C19 H13 F3 Fe -","- C38 H26 F6 Fe2 -","2","0.5","","Jian-Jun Dai; Chi Fang; Bin Xiao; Jun Yi; Jun Xu; Zhao-Jing Liu; Xi Lu; Lei Liu; Yao Fu","Copper-Promoted Sandmeyer Trifluoromethylation Reaction","Journal of the American Chemical Society","2013","135","","8436","8439","10.1021/ja404217t","","","0.71073","MoKα","","0.089","0.0774","","","0.1775","0.1849","","","","","","1.029","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119932","20.4305","0.0004","14.7348","0.0005","11.0389","0.0003","90","","90.088","0.002","90","","3323.14","0.16","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 B F10 P -","- C37 H32 B F10 P -","- C148 H128 B4 F40 P4 -","4","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.048","0.0453","","","0.1173","0.1198","","","","","","1.043","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119933","17.5236","0.0005","18.1897","0.0006","20.2976","0.0003","90","","90","","90","","6469.8","0.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H34 B F10 P -","- C37 H34 B F10 P -","- C296 H272 B8 F80 P8 -","8","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.0597","0.0452","","","0.1057","0.1149","","","","","","1.028","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119934","11.3261","0.0002","11.4019","0.0002","18.0739","0.0004","80.106","0.004","86.398","0.007","67.178","0.008","2119.31","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 B F10 O P -","- C44 H38 B F10 O P -","- C88 H76 B2 F20 O2 P2 -","2","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","0.71073","MoKα","","0.0757","0.0672","","","0.1918","0.1995","","","","","","1.048","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119935","10.4235","0.001","17.0105","0.0009","21.393","0.002","90","","90","","90","","3793.2","0.5","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 B Cl2 F10 O2 P -","- C39 H34 B Cl2 F10 O2 P -","- C156 H136 B4 Cl8 F40 O8 P4 -","4","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.047","0.0411","","","0.0927","0.0973","","","","","","1.074","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119936","16.4556","0.0007","16.7148","0.0006","24.6103","0.0008","90","","90","","90","","6769.1","0.4","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C37 H32 B F10 O2 P S -","- C37 H32 B F10 O2 P S -","- C296 H256 B8 F80 O16 P8 S8 -","8","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.1064","0.0572","","","0.1202","0.1444","","","","","","1.039","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119937","10.5699","0.0003","17.6128","0.0006","10.9505","0.0005","90","","113.061","0.002","90","","1875.7","0.12","223","2","223","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C38 H34 B Cl2 F10 N O P -","- C38 H34 B Cl2 F10 N O P -","- C76 H68 B2 Cl4 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.0402","0.0396","","","0.1048","0.1056","","","","","","1.045","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119938","9.0382","0.0002","13.0849","0.0002","15.5601","0.0003","113.879","0.002","96.7","0.001","93.957","0.001","1657.45","0.06","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H33 B F10 N O P -","- C37 H33 B F10 N O P -","- C74 H66 B2 F20 N2 O2 P2 -","2","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","0.71073","MoKα","","0.0626","0.053","","","0.1186","0.1266","","","","","","1.094","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119939","17.5033","0.0006","11.6428","0.0005","19.5772","0.0013","90","","111.969","0.002","90","","3699.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H40 B F10 P -","- C41 H40 B F10 P -","- C164 H160 B4 F40 P4 -","4","1","","Muhammad Sajid; Gerald Kehr; Thomas Wiegand; Hellmut Eckert; Christian Schwickert; Rainer Pöttgen; Allan Jay P. Cardenas; Timothy H. Warren; Roland Fröhlich; Constantin G. Daniliuc; Gerhard Erker","Noninteracting, Vicinal Frustrated P/B-Lewis Pair at the Norbornane Framework: Synthesis, Characterization, and Reactions","Journal of the American Chemical Society","2013","135","","8882","8895","10.1021/ja400338e","","","1.54178","CuKα","","0.0802","0.0581","","","0.1339","0.1504","","","","","","1.023","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119940","10.664","0.001","17.001","0.001","19.878","0.001","89.863","0.001","81.233","0.001","72.371","0.001","3390.8","0.4","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C33 H43 B Cl Li O2 P2 S -","- C33 H43 B Cl Li O2 P2 S -","- C132 H172 B4 Cl4 Li4 O8 P8 S4 -","4","2","","Hadrien Heuclin; Samuel Y.-F. Ho; Xavier F. Le Goff; Cheuk-Wai So; Nicolas Mézailles","Facile B-H Bond Activation of Borane by Stable Carbenoid Species","Journal of the American Chemical Society","2013","135","","8774","8777","10.1021/ja401763c","","","0.71069","MoKα","","0.0707","0.0558","","","0.1471","0.1624","","","","","","1.075","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119941","29.053","0.001","29.053","0.001","9.752","0.001","90","","90","","120","","7128.6","0.8","150","0.1","150","0.1","","","","","","","","5","P -3","-P 3","147","","","","- C50 H46 B2 P4 S2 -","- C50 H46 B2 P4 S2 -","- C300 H276 B12 P24 S12 -","6","1","","Hadrien Heuclin; Samuel Y.-F. Ho; Xavier F. Le Goff; Cheuk-Wai So; Nicolas Mézailles","Facile B-H Bond Activation of Borane by Stable Carbenoid Species","Journal of the American Chemical Society","2013","135","","8774","8777","10.1021/ja401763c","","","0.71069","MoKα","","0.124","0.0885","","","0.2147","0.2357","","","","","","1.038","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119942","10.873","0.001","19.366","0.001","15.726","0.001","90","","130.732","0.004","90","","2509.3","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 B2 Cl4 P4 S2 -","- C52 H50 B2 Cl4 P4 S2 -","- C104 H100 B4 Cl8 P8 S4 -","2","0.5","","Hadrien Heuclin; Samuel Y.-F. Ho; Xavier F. Le Goff; Cheuk-Wai So; Nicolas Mézailles","Facile B-H Bond Activation of Borane by Stable Carbenoid Species","Journal of the American Chemical Society","2013","135","","8774","8777","10.1021/ja401763c","","","0.71069","MoKα","","0.0354","0.0317","","","0.0746","0.0773","","","","","","1.056","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119943","11.007","0.001","11.394","0.001","11.505","0.001","106.44","0.001","103.988","0.001","97.624","0.001","1311.1","0.2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 B2 Cl4 P4 S4 -","- C52 H50 B2 Cl4 P4 S4 -","- C52 H50 B2 Cl4 P4 S4 -","1","0.5","","Hadrien Heuclin; Samuel Y.-F. Ho; Xavier F. Le Goff; Cheuk-Wai So; Nicolas Mézailles","Facile B-H Bond Activation of Borane by Stable Carbenoid Species","Journal of the American Chemical Society","2013","135","","8774","8777","10.1021/ja401763c","","","0.71069","MoKα","","0.0762","0.0709","","","0.1806","0.1862","","","","","","1.021","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119944","35.558","0.005","13.495","0.005","29.699","0.005","90","0.005","122.628","0.005","90","0.005","12002","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H82 Mg8 N2 O36 -","- C56 H82 Mg8 N2 O36 -","- C224 H328 Mg32 N8 O144 -","4","0.5","","Tae Kyung Kim; Kyung Joo Lee; Jae Yeong Cheon; Jae Hwa Lee; Sang Hoon Joo; Hoi Ri Moon","Nanoporous Metal Oxides with Tunable and Nanocrystalline Frameworks via Conversion of Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","8940","8946","10.1021/ja401869h","","","0.71073","MoKα","","0.2133","0.1025","","","0.2772","0.3232","","","","","","0.949","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119945","9.6091","0.0006","12.0979","0.0009","13.0841","0.001","90","","103.681","0.008","90","","1477.87","0.19","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br F3 N O2 S -","- C13 H13 Br F3 N O2 S -","- C52 H52 Br4 F12 N4 O8 S4 -","4","1","","Yu-Dong Yang; Ayaka Azuma; Etsuko Tokunaga; Mikio Yamasaki; Motoo Shiro; Norio Shibata","Trifluoromethanesulfonyl Hypervalent Iodonium Ylide for Copper-Catalyzed Trifluoromethylthiolation of Enamines, Indoles, and β-Keto Esters","Journal of the American Chemical Society","2013","135","","8782","8785","10.1021/ja402455f","","","0.71075","MoKα","","","0.0446","","","","0.0987","","","","","","1.005","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119946","11.742","0.002","17.046","0.003","6.316","0.0013","90","","112.5","0.03","90","","1167.9","0.5","150","","150","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C16 H36 Si4 Sn -","- C16 H36 Si4 Sn -","- C32 H72 Si8 Sn2 -","2","0.5","","Vladimir Ya. Lee; Yuki Ito; Akira Sekiguchi; Heinz Gornitzka; Olga A. Gapurenko; Vladimir I. Minkin; Ruslan M. Minyaev","Pyramidanes","Journal of the American Chemical Society","2013","135","","8794","8797","10.1021/ja403173e","","","0.71073","MoKα","","0.0131","0.0131","","","0.033","0.033","","","","","","1.19","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119947","11.88","0.009","14.995","0.012","15.155","0.012","62.211","0.01","83.252","0.011","85.344","0.01","2371","3","100","2","373","2","","","","","","","","7","P -1","-P 1","2","CLV30_4","","","- C45 H54 Co O4 P S Si -","- C45 H54 Co O4 P S Si -","- C90 H108 Co2 O8 P2 S2 Si2 -","2","1","","Joseph M. O'Connor; Kim K. Baldridge; Carmen L. Vélez; Arnold L. Rheingold; Curtis E. Moore","Chemistry at the Alkyne-Carbene Intersection: A Metallacyclobutene-η3-Vinylcarbene Equilibration","Journal of the American Chemical Society","2013","135","","8826","8829","10.1021/ja4039483","","","0.71073","MoKα","","0.066","0.0487","","","0.1328","0.1425","","","","","","0.961","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119948","9.847","0.003","18.614","0.005","18.744","0.005","90","","100.763","0.005","90","","3375.2","1.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Co O4 P S Si -","- C38 H40 Co O4 P S Si -","- C152 H160 Co4 O16 P4 S4 Si4 -","4","1","","Joseph M. O'Connor; Kim K. Baldridge; Carmen L. Vélez; Arnold L. Rheingold; Curtis E. Moore","Chemistry at the Alkyne-Carbene Intersection: A Metallacyclobutene-η3-Vinylcarbene Equilibration","Journal of the American Chemical Society","2013","135","","8826","8829","10.1021/ja4039483","","","0.71073","MoKα","","0.076","0.0459","","","0.1017","0.1139","","","","","","1.01","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119949","12.2488","0.0008","17.4041","0.0013","14.7075","0.0011","90","","98.015","0.004","90","","3104.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Co2 O4 S Si -","- C32 H44 Co2 O4 S Si -","- C128 H176 Co8 O16 S4 Si4 -","4","1","","Joseph M. O'Connor; Kim K. Baldridge; Carmen L. Vélez; Arnold L. Rheingold; Curtis E. Moore","Chemistry at the Alkyne-Carbene Intersection: A Metallacyclobutene-η3-Vinylcarbene Equilibration","Journal of the American Chemical Society","2013","135","","8826","8829","10.1021/ja4039483","","","1.54178","CuKα","","0.0403","0.0332","","","0.0802","0.0848","","","","","","1.028","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119950","12.3188","0.0008","26.3035","0.0016","39.777","0.003","98.976","0.005","98.632","0.005","90.103","0.005","12582.6","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H45 Co O6 S Si -","- C31 H45 Co O6 S Si -","- C496 H720 Co16 O96 S16 Si16 -","16","8","","Joseph M. O'Connor; Kim K. Baldridge; Carmen L. Vélez; Arnold L. Rheingold; Curtis E. Moore","Chemistry at the Alkyne-Carbene Intersection: A Metallacyclobutene-η3-Vinylcarbene Equilibration","Journal of the American Chemical Society","2013","135","","8826","8829","10.1021/ja4039483","","","1.54184","CuKα","","0.2403","0.1594","","","0.3616","0.4205","","","","","","1.241","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119951","8.3754","0.0004","13.8729","0.0007","15.0533","0.0009","105.948","0.005","100.518","0.005","104.942","0.004","1563.27","0.16","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","{Ti‒Cr}","CGCTiCl2-SNSCrCl2","","- C25 H42 Cl2 N2 S2 Si Ti -","- C25 H42 Cl2 N2 S2 Si Ti -","- C50 H84 Cl4 N4 S4 Si2 Ti2 -","2","1","","Shaofeng Liu; Alessandro Motta; Massimiliano Delferro; Tobin J. Marks","Synthesis, Characterization, and Heterobimetallic Cooperation in a Titanium-Chromium Catalyst for Highly Branched Polyethylenes","Journal of the American Chemical Society","2013","135","","8830","8833","10.1021/ja4039505","","x-ray","1.54178","CuKα","","0.1569","0.1167","","","0.3195","0.3538","","","","","","1.266","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119952","4.6779","0.0001","12.853","0.0002","53.3818","0.0007","90","","91.8752","0.0005","90","","3207.86","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Anthraceneimide dimer","","","- C44 H34 N2 O4 -","- C44 H34 N2 O4 -","- C176 H136 N8 O16 -","4","1","","Chunxue Yuan; Shohei Saito; Cristopher Camacho; Stephan Irle; Ichiro Hisaki; Shigehiro Yamaguchi","A π-Conjugated System with Flexibility and Rigidity That Shows Environment-Dependent RGB Luminescence","Journal of the American Chemical Society","2013","135","","8842","8845","10.1021/ja404198h","","","0.8","synchrotron","","0.0562","0.0531","","","0.1333","0.1356","","","","","","1.116","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119953","17.309","0.002","11.5835","0.0014","7.4963","0.0009","90","","101.442","0.002","90","","1473.1","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","n-Butylanthraceneimide","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Chunxue Yuan; Shohei Saito; Cristopher Camacho; Stephan Irle; Ichiro Hisaki; Shigehiro Yamaguchi","A π-Conjugated System with Flexibility and Rigidity That Shows Environment-Dependent RGB Luminescence","Journal of the American Chemical Society","2013","135","","8842","8845","10.1021/ja404198h","","","0.7107","MoKα","","0.0405","0.0388","","","0.1019","0.1035","","","","","","1.047","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119954","6.7794","0.0003","12.2839","0.0005","38.52","0.0016","90","","90","","90","","3207.8","0.2","140","2","140","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","ingalls001","ingalls001","","- C31 H31 F6 N3 O6 Pd -","- C31 H31 F6 N3 O6 Pd -","- C124 H124 F24 N12 O24 Pd4 -","4","1","","Erica L. Ingalls; Paul A. Sibbald; Werner Kaminsky; Forrest E. Michael","Enantioselective Palladium-Catalyzed Diamination of Alkenes Using N-Fluorobenzenesulfonimide","Journal of the American Chemical Society","2013","135","","8854","8856","10.1021/ja4043406","","","0.71073","MoKα","","0.0587","0.0479","","","0.0855","0.0891","","","","","","1.069","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119955","16.1337","0.0009","12.6977","0.0007","11.6815","0.0007","90","","107.018","0.007","90","","2288.3","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 F3 N O4 Rh S -","- C22 H25 F3 N O4 Rh S -","- C88 H100 F12 N4 O16 Rh4 S4 -","4","1","","Guoying Zhang; Lei Yang; Yanyu Wang; Yinjun Xie; Hanmin Huang","An Efficient Rh/O2 Catalytic System for Oxidative C-H Activation/Annulation: Evidence for Rh(I) to Rh(III) Oxidation by Molecular Oxygen","Journal of the American Chemical Society","2013","135","","8850","8853","10.1021/ja404414q","","","0.7107","MoKα","","0.104","0.0626","","","0.1394","0.1702","","","","","","1.044","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119956","15.122","0.002","9.2388","0.0009","32.256","0.004","90","","104.272","0.014","90","","4367.4","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F3 N O3 S -","- C26 H18 F3 N O3 S -","- C208 H144 F24 N8 O24 S8 -","8","1","","Guoying Zhang; Lei Yang; Yanyu Wang; Yinjun Xie; Hanmin Huang","An Efficient Rh/O2 Catalytic System for Oxidative C-H Activation/Annulation: Evidence for Rh(I) to Rh(III) Oxidation by Molecular Oxygen","Journal of the American Chemical Society","2013","135","","8850","8853","10.1021/ja404414q","","","0.7107","MoKα","","0.1374","0.0865","","","0.2272","0.2682","","","","","","1.043","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119957","13.6762","0.0007","13.7277","0.0004","16.9536","0.0005","90","","90.778","0.003","90","","3182.6","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 F3 N O3 Rh S -","- C36 H33 F3 N O3 Rh S -","- C144 H132 F12 N4 O12 Rh4 S4 -","4","1","","Guoying Zhang; Lei Yang; Yanyu Wang; Yinjun Xie; Hanmin Huang","An Efficient Rh/O2 Catalytic System for Oxidative C-H Activation/Annulation: Evidence for Rh(I) to Rh(III) Oxidation by Molecular Oxygen","Journal of the American Chemical Society","2013","135","","8850","8853","10.1021/ja404414q","","","0.7107","MoKα","","0.0537","0.0377","","","0.084","0.0943","","","","","","1.045","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119958","18.5111","0.0012","18.5111","0.0012","9.7964","0.0007","90","","90","","90","","3356.8","0.4","143","1","143","1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C24 H14 N2 O2 -","- C24 H14 N2 O2 -","- C192 H112 N16 O16 -","8","0.5","","Robert-André F. Rarig; Mai N. Tran; David M. Chenoweth","Synthesis and Conformational Dynamics of the Reported Structure of Xylopyridine A","Journal of the American Chemical Society","2013","135","","9213","9219","10.1021/ja404737q","","","0.71073","MoKα","","0.0358","0.0308","","","0.076","0.0805","","","","","","1.036","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119959","13.908","0.002","11.0557","0.0018","30.962","0.005","90","","101.174","0.002","90","","4670.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[{Cl2NN]Cu}2(NtBu)","","","- C43 H47 Cl8 Cu2 N5 -","- C42.99 H47 Cl8 Cu2 N5 -","- C171.96 H188 Cl32 Cu8 N20 -","4","1","","Mae Joanne B. Aguila; Yosra M. Badiei; Timothy H. Warren","Mechanistic Insights into C-H Amination via Dicopper Nitrenes","Journal of the American Chemical Society","2013","135","","9399","9406","10.1021/ja400879m","","","0.71073","MoKα","","0.0731","0.049","","","0.1104","0.1189","","","","","","1.034","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119960","11.953","0.0013","21.477","0.002","17.1024","0.0018","90","","105.269","0.002","90","","4235.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","{[Cl2NN]Cu}2(NCH2CH2Ph)","","","- C42 H35 Cl8 Cu2 N5 -","- C42 H35 Cl8 Cu2 N5 -","- C168 H140 Cl32 Cu8 N20 -","4","1","","Mae Joanne B. Aguila; Yosra M. Badiei; Timothy H. Warren","Mechanistic Insights into C-H Amination via Dicopper Nitrenes","Journal of the American Chemical Society","2013","135","","9399","9406","10.1021/ja400879m","","","0.71073","MoKα","","0.0966","0.0494","","","0.0987","0.1076","","","","","","0.998","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119961","22.29","0.002","10.972","0.001","37.221","0.004","90","","94.222","0.001","90","","9078.3","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","{Cl2NN]Cu}2(NC6H11)","","","- C42.5 H43 Cl8 Cu2 N5 -","- C42.5 H43 Cl8 Cu2 N5 -","- C340 H344 Cl64 Cu16 N40 -","8","1","","Mae Joanne B. Aguila; Yosra M. Badiei; Timothy H. Warren","Mechanistic Insights into C-H Amination via Dicopper Nitrenes","Journal of the American Chemical Society","2013","135","","9399","9406","10.1021/ja400879m","","","0.71073","MoKα","","0.1148","0.0559","","","0.1122","0.1266","","","","","","0.958","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119962","8.136","0.0017","23.693","0.005","13.613","0.003","90","","105.323","0.003","90","","2530.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cl2NNCu](NHCHCH2Ph)","","","- C25 H22 Cl4 Cu N3 -","- C25 H22 Cl4 Cu N3 -","- C100 H88 Cl16 Cu4 N12 -","4","1","","Mae Joanne B. Aguila; Yosra M. Badiei; Timothy H. Warren","Mechanistic Insights into C-H Amination via Dicopper Nitrenes","Journal of the American Chemical Society","2013","135","","9399","9406","10.1021/ja400879m","","","0.71073","MoKα","","0.111","0.0688","","","0.1537","0.1635","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4119963","24.85","0.007","31.445","0.009","12.115","0.004","90","","90","","90","","9467","5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","[Cl2NNCu](NHC6CH10)","","","- C23 H24 Cl4 Cu N3 -","- C23 H24 Cl4 Cu N3 -","- C368 H384 Cl64 Cu16 N48 -","16","1","","Mae Joanne B. Aguila; Yosra M. Badiei; Timothy H. Warren","Mechanistic Insights into C-H Amination via Dicopper Nitrenes","Journal of the American Chemical Society","2013","135","","9399","9406","10.1021/ja400879m","","","0.71073","MoKα","","0.0271","0.0243","","","0.052","0.0528","","","","","","1.002","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119964","11.234","0.004","11.375","0.004","16.729","0.006","79.254","0.009","71.233","0.01","79.984","0.014","1973.6","1.2","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C37 H16 B Cl2 F25 N3 O Re -","- C37 H16 B Cl2 F25 N3 O Re -","- C74 H32 B2 Cl4 F50 N6 O2 Re2 -","2","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0505","0.0349","","","0.0721","0.0768","","","","","","1.041","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119965","10.841","0.003","11.689","0.004","16.724","0.005","90.926","0.009","108.058","0.013","100.435","0.011","1975.6","1.1","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C36 H13 B Cl3 F25 N3 O Re -","- C36 H13 B Cl3 F25 N3 O Re -","- C72 H26 B2 Cl6 F50 N6 O2 Re2 -","2","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0428","0.0332","","","0.0702","0.0734","","","","","","1.046","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119966","11.579","0.0004","18.3876","0.0006","19.2215","0.0007","90.0204","0.0018","91.1954","0.0019","90.4654","0.0018","4091.4","0.2","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H32 B F15 N3 O Re -","- C44 H32 B F15 N3 O Re -","- C176 H128 B4 F60 N12 O4 Re4 -","4","2","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0582","0.0392","","","0.0882","0.0962","","","","","","1.029","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119967","13.2245","0.0003","13.1821","0.0003","28.6216","0.0007","90","","108.822","0.0011","90","","4722.69","0.19","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C43 H29 B Cl F15 N3 O Re -","- C43 H29 B Cl F15 N3 O Re -","- C172 H116 B4 Cl4 F60 N12 O4 Re4 -","4","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0461","0.0301","","","0.0697","0.0756","","","","","","1.081","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119968","11.049","0.002","35.508","0.007","11.003","0.002","90","","106.784","0.005","90","","4132.9","1.3","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H16 B Cl2 F25 N3 O2 Re -","- C38 H16 B Cl2 F25 N3 O2 Re -","- C152 H64 B4 Cl8 F100 N12 O8 Re4 -","4","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.065","0.0384","","","0.0712","0.0773","","","","","","1.066","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119969","13.405","0.003","13.412","0.003","28.537","0.005","90","","108.018","0.006","90","","4879","1.8","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 B F15 N3 O2 Re -","- C45 H32 B F15 N3 O2 Re -","- C180 H128 B4 F60 N12 O8 Re4 -","4","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0632","0.0359","","","0.0727","0.0781","","","","","","1.022","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119970","15.607","0.006","10.334","0.004","14.797","0.005","90","","112.852","0.005","90","","2199.2","1.4","110","","110","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 B F13 N3 O2 Re -","- C19 H11 B F13 N3 O2 Re -","- C76 H44 B4 F52 N12 O8 Re4 -","4","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0615","0.0276","","","0.0526","0.0608","","","","","","1.131","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119971","8.6522","0.0003","13.2195","0.0005","20.8263","0.0008","90","","90","","90","","2382.07","0.15","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 Cl N3 O Re -","- C24 H33 Cl N3 O Re -","- C96 H132 Cl4 N12 O4 Re4 -","4","1","","Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison","The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species","Journal of the American Chemical Society","2013","135","","9433","9441","10.1021/ja401390v","","","0.71073","MoKα","","0.0246","0.021","","","0.0382","0.0391","","","","","","1.033","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119972","9.4592","0.0008","7.737","0.0004","16.0848","0.0014","90","","102.562","0.008","90","","1149","0.16","290","2","290","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 Br N2 O -","- C26 H23 Br N2 O -","- C52 H46 Br2 N4 O2 -","2","1","","Zhong-Lin Tao; Wen-Quan Zhang; Dian-Feng Chen; Arafate Adele; Liu-Zhu Gong","Pd-Catalyzed Asymmetric Allylic Alkylation of Pyrazol-5-ones with Allylic Alcohols: The Role of the Chiral Phosphoric Acid in C-O Bond Cleavage and Stereocontrol","Journal of the American Chemical Society","2013","135","","9255","9258","10.1021/ja402740q","","","0.71073","MoKα","","0.1374","0.0568","","","0.1133","0.1463","","","","","","1.007","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119973","8.446","0.007","15.471","0.009","15.65","0.01","90","","99.33","0.03","90","","2018","2","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 N4 O2 -","- C21 H26 N4 O2 -","- C84 H104 N16 O8 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.112","0.0716","","","0.1737","0.1965","","","","","","0.946","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119974","53.221","0.011","10.995","0.002","11.983","0.002","90","","98.86","0.03","90","","6928","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H25 Cl N4 O -","- C15.5 H25 Cl N4 O -","- C248 H400 Cl16 N64 O16 -","16","2","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0815","0.0577","","","0.1163","0.1299","","","","","","1.064","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119975","8.225","0.0016","15.862","0.003","13.308","0.003","90","","100.57","0.03","90","","1706.8","0.6","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C76 H80 N16 O4 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.1692","0.0814","","","0.172","0.2144","","","","","","1.017","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119976","5.9744","0.0004","14.5125","0.001","7.459","0.0003","90","","94.942","0.004","90","","644.32","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 N4 O -","- C5 H8 N4 O -","- C20 H32 N16 O4 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0341","0.0288","","","0.0725","0.0763","","","","","","1.122","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119977","10.7327","0.0008","11.2343","0.0007","10.6356","0.0007","90","","119.383","0.005","90","","1117.41","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 N4 O -","- C9 H16 N4 O -","- C36 H64 N16 O4 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0389","0.0336","","","0.0807","0.0847","","","","","","1.092","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119978","6.0781","0.0013","16.4649","0.0019","7.3469","0.0009","90","","95.623","0.013","90","","731.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N4 O -","- C6 H10 N4 O -","- C24 H40 N16 O4 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0564","0.0398","","","0.0852","0.0941","","","","","","1.112","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119979","31.635","0.005","8.4919","0.0009","15.672","0.0019","90","","112.954","0.015","90","","3876.8","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 N4 O -","- C21 H26 N4 O -","- C168 H208 N32 O8 -","8","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0943","0.0538","","","0.1163","0.1375","","","","","","1.109","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119980","12.9921","0.0019","15.555","0.002","13.6282","0.001","90","","107.073","0.009","90","","2632.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N3 O3 S -","- C28 H33 N3 O3 S -","- C112 H132 N12 O12 S4 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.1052","0.0629","","","0.1301","0.1489","","","","","","1.066","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119981","32.108","0.003","8.7345","0.001","32.585","0.005","90","","94.53","0.01","90","","9109.8","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Cl N3 O -","- C23 H28 Cl N3 O -","- C368 H448 Cl16 N48 O16 -","16","2","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.2142","0.0825","","","0.2027","0.2817","","","","","","0.962","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119982","8.4745","0.0011","15.689","0.002","15.702","0.003","79.949","0.013","80.705","0.013","89.136","0.013","2028.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H41 B Cl2 F4 N4 O -","- C41 H41 B Cl2 F4 N4 O -","- C82 H82 B2 Cl4 F8 N8 O2 -","2","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0762","0.0532","","","0.1275","0.1395","","","","","","1.078","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119983","37.299","0.008","8.4594","0.0018","22.507","0.006","90","","104.925","0.018","90","","6862","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 Cl6 Cr2 N8 O7 -","- C62 H88 Cl6 Cr2 N8 O7 -","- C248 H352 Cl24 Cr8 N32 O28 -","4","0.5","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.1027","0.0609","","","0.1149","0.1317","","","","","","1.116","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119984","11.568","0.002","11.801","0.002","17.111","0.002","93.525","0.011","99.74","0.012","101.563","0.014","2244.5","0.6","160","2","160","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H48 Cu F3 N8 O5 S -","- C43 H48 Cu F3 N8 O5 S -","- C86 H96 Cu2 F6 N16 O10 S2 -","2","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.1236","0.108","","","0.2731","0.2813","","","","","","1.148","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119985","11.2126","0.001","16.522","0.003","34.824","0.005","90","","95.44","0.013","90","","6422.2","1.6","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76 F6 Fe N8 O11.5 S2 -","- C58 H76 F6 Fe N8 O11.5 S2 -","- C232 H304 F24 Fe4 N32 O46 S8 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0627","0.053","","","0.1251","0.1313","","","","","","1.147","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4119986","8.4422","0.0019","8.957","0.001","19.625","0.003","91.472","0.01","94.216","0.014","105.129","0.011","1427.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H29 Cl3 N4 O Sn -","- C27 H29 Cl3 N4 O Sn -","- C54 H58 Cl6 N8 O2 Sn2 -","2","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0546","0.0437","","","0.0946","0.1012","","","","","","1.077","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119987","10.965","0.006","15.158","0.006","13.673","0.006","90","","104.57","0.03","90","","2199.5","1.8","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cl4 Cu2 N8 O2 -","- C42 H48 Cl4 Cu2 N8 O2 -","- C84 H96 Cl8 Cu4 N16 O4 -","2","0.5","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","0.71073","MoKα","","0.0944","0.0595","","","0.1486","0.168","","","","","","0.963","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119988","7.8121","0.0005","19.5434","0.001","21.1329","0.0011","90","","95.422","0.005","90","","3212","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 F10 N4 O Zn -","- C33 H24 F10 N4 O Zn -","- C132 H96 F40 N16 O4 Zn4 -","4","1","","Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin","Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity","Journal of the American Chemical Society","2013","135","","9486","9492","10.1021/ja4030287","","","1.54178","CuKα","","0.0515","0.0433","","","0.1188","0.1271","","","","","","1.042","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119989","11.7685","0.0002","12.2958","0.0002","13.1428","0.0002","102.672","0.001","109.055","0.001","111.06","0.001","1550.51","0.05","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H70 Ag2 F12 N10 P2 -","- C60 H70 Ag2 F12 N10 P2 -","- C60 H70 Ag2 F12 N10 P2 -","1","0.5","","Ying-Feng Han; Guo-Xin Jin; F. Ekkehardt Hahn","Postsynthetic Modification of Dicarbene-Derived Metallacycles via Photochemical [2 + 2] Cycloaddition","Journal of the American Chemical Society","2013","135","","9263","9266","10.1021/ja4032067","","","0.71073","MoKα","","0.051","0.0434","","","0.1132","0.1197","","","","","","1.035","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119990","9.0716","0.0004","41.7167","0.0017","14.2731","0.0006","90","","100.183","0.002","90","","5316.4","0.4","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Au2 Cl2 N8 O8 -","- C48 H48 Au2 Cl2 N8 O8 -","- C192 H192 Au8 Cl8 N32 O32 -","4","1","","Ying-Feng Han; Guo-Xin Jin; F. Ekkehardt Hahn","Postsynthetic Modification of Dicarbene-Derived Metallacycles via Photochemical [2 + 2] Cycloaddition","Journal of the American Chemical Society","2013","135","","9263","9266","10.1021/ja4032067","","","0.71073","MoKα","","0.0866","0.0645","","","0.1877","0.1982","","","","","","1.03","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119991","11.8465","0.0001","15.0775","0.0002","17.2543","0.0002","78.476","0.001","78.918","0.001","83.913","0.001","2956.11","0.06","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H67 Au2 F12 N9 P2 -","- C58 H64 Au2 F12 N9 P2 -","- C116 H128 Au4 F24 N18 P4 -","2","1","","Ying-Feng Han; Guo-Xin Jin; F. Ekkehardt Hahn","Postsynthetic Modification of Dicarbene-Derived Metallacycles via Photochemical [2 + 2] Cycloaddition","Journal of the American Chemical Society","2013","135","","9263","9266","10.1021/ja4032067","","","0.71073","MoKα","","0.068","0.0433","","","0.0994","0.113","","","","","","1.04","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119992","9.2434","0.0005","9.3136","0.0005","14.3104","0.0008","90","","95.331","0.001","90","","1226.64","0.12","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 Br O3 -","- C28 H27 Br O3 -","- C56 H54 Br2 O6 -","2","1","","Robert Panish; Srinivasa R. Chintala; David T. Boruta; Yinzhi Fang; Michael T. Taylor; Joseph M. Fox","Enantioselective Synthesis of Cyclobutanes via Sequential Rh-catalyzed Bicyclobutanation/Cu-catalyzed Homoconjugate Addition","Journal of the American Chemical Society","2013","135","","9283","9286","10.1021/ja403811t","","","0.71073","MoKα","","0.0464","0.0349","","","0.0745","0.0791","","","","","","1.023","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119993","15.7407","0.0006","15.7841","0.0006","19.5588","0.0008","85.53","0.003","71.368","0.002","61.411","0.002","4026.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H62 Cu5 Na2 O16 S7 -","- C74 H62 Cu5 Na2 O16 S7 -","- C148 H124 Cu10 Na4 O32 S14 -","2","1","","Christopher Uyeda; Yichen Tan; Gregory C. Fu; Jonas C. Peters","A New Family of Nucleophiles for Photoinduced, Copper-Catalyzed Cross-Couplings via Single-Electron Transfer: Reactions of Thiols with Aryl Halides Under Mild Conditions (O ° C)","Journal of the American Chemical Society","2013","135","","9548","9552","10.1021/ja404050f","","","0.71073","MoKα","","0.2124","0.1403","","","0.3776","0.4232","","","","","","1.027","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119994","35.251","0.003","8.861","0.001","26.926","0.002","90","","116.661","0.004","90","","7516.3","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C73 H112 N12 O7 -","- C66 H84 N12 -","- C264 H336 N48 -","4","0.5","","Kim E. Jelfs; Edward G. B. Eden; Jamie L. Culshaw; Stephen Shakespeare; Edward O. Pyzer-Knapp; Hugh P. G. Thompson; John Bacsa; Graeme M. Day; Dave J. Adams; Andrew I. Cooper","In silico Design of Supramolecules from Their Precursors: Odd-Even Effects in Cage-Forming Reactions","Journal of the American Chemical Society","2013","135","","9307","9310","10.1021/ja404253j","","","0.71073","MoKα","","0.1474","0.0998","","","0.202","0.2197","","","","","","1.071","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119995","31.539","0.006","8.3673","0.0008","10.2441","0.0009","90","","97.164","0.008","90","","2682.3","0.6","295","2","295","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C136 H128 N8 -","4","0.5","","Cyprien Lemouchi; Konstantinos Iliopoulos; Leokadiya Zorina; Sergey Simonov; Pawel Wzietek; Thomas Cauchy; Antonio Rodríguez-Fortea; Enric Canadell; Jiří Kaleta; Josef Michl; Denis Gindre; Michael Chrysos; Patrick Batail","Crystalline Arrays of Pairs of Molecular Rotors: Correlated Motion, Rotational Barriers, and Space-Inversion Symmetry Breaking Due to Conformational Mutations","Journal of the American Chemical Society","2013","135","","9366","9376","10.1021/ja4044517","","","0.71073","MoKα","","0.1662","0.0748","","","0.1632","0.2017","","","","","","1.002","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119996","31.3333","0.0016","8.3151","0.0005","10.2204","0.0009","90","","96.3","0.005","90","","2646.7","0.3","200","1","200","1","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 N2 -","- C34 H32 N2 -","- C136 H128 N8 -","4","0.5","","Cyprien Lemouchi; Konstantinos Iliopoulos; Leokadiya Zorina; Sergey Simonov; Pawel Wzietek; Thomas Cauchy; Antonio Rodríguez-Fortea; Enric Canadell; Jiří Kaleta; Josef Michl; Denis Gindre; Michael Chrysos; Patrick Batail","Crystalline Arrays of Pairs of Molecular Rotors: Correlated Motion, Rotational Barriers, and Space-Inversion Symmetry Breaking Due to Conformational Mutations","Journal of the American Chemical Society","2013","135","","9366","9376","10.1021/ja4044517","","","0.71073","MoKα","","0.127","0.0697","","","0.1657","0.2001","","","","","","1.018","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4119997","14.553","0.004","14.752","0.003","17.366","0.004","90","","106.167","0.0008","90","","3580.8","1.5","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","6,13-Bis(1,8-dichloro-4,5-dimesityloxyanthr-9-yl)- 6,13-dihydro-6,13-diboraanthracene","","- C79 H65 B2 Cl13 O4 -","- C79 H65 B2 Cl13 O4 -","- C158 H130 B4 Cl26 O8 -","2","0.5","","Chuandong Dou; Shohei Saito; Shigehiro Yamaguchi","A Pentacoordinate Boron-Containing π-Electron System with Cl-B-Cl Three-Center Four-Electron Bonds","Journal of the American Chemical Society","2013","135","","9346","9349","10.1021/ja404724f","","","0.7107","MoKα","","0.0923","0.0839","","","0.2311","0.2393","","","","","","1.055","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119998","14.436","0.006","14.773","0.006","15.043","0.006","93.3","0.005","111.392","0.006","93.171","0.005","2972","2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H66 B2 O4 -","- C76 H66 B2 O4 -","- C152 H132 B4 O8 -","2","1","","Chuandong Dou; Shohei Saito; Shigehiro Yamaguchi","A Pentacoordinate Boron-Containing π-Electron System with Cl-B-Cl Three-Center Four-Electron Bonds","Journal of the American Chemical Society","2013","135","","9346","9349","10.1021/ja404724f","","","0.7107","MoKα","","0.1043","0.0823","","","0.2201","0.239","","","","","","1.086","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4119999","20.352","0.0005","15.4353","0.0004","19.6446","0.0004","90","","104.257","0.001","90","","5981.1","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 F18 Fe N11 O12 S6 -","- C46 H30 F18 Fe N11 O12 S6 -","- C184 H120 F72 Fe4 N44 O48 S24 -","4","0.5","","Robert J. Comito; Fernanda G. Finelli; David W. C. MacMillan","Enantioselective Intramolecular Aldehyde α-Alkylation with Simple Olefins: Direct Access to Homo-Ene Products","Journal of the American Chemical Society","2013","135","","9358","9361","10.1021/ja4047312","","","1.54178","CuKα","","0.0548","0.0498","","","0.1406","0.147","","","","","","0.752","","","","has coordinates,has disorder","178970","2020-10-21","18:00:00",""
"4120000","15.1553","0.0009","19.2316","0.0011","17.9082","0.0011","90","","93.999","0.002","90","","5206.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H96 N4 Ni P4 -","- C48 H96 N4 Ni P4 -","- C192 H384 N16 Ni4 P16 -","4","1","","Jenny Y. Yang; Stuart E. Smith; Tianbiao Liu; William G. Dougherty; Wesley A. Hoffert; W. Scott Kassel; M. Rakowski DuBois; Daniel L. DuBois; R. Morris Bullock","Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere","Journal of the American Chemical Society","2013","135","","9700","9712","10.1021/ja400705a","","","0.71073","MoKα","","0.0714","0.0412","","","0.086","0.0963","","","","","","1.034","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120001","25.7955","0.0008","25.7955","0.0008","25.7955","0.0008","90","","90","","90","","17164.5","0.9","100","2","100","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H72 B F4 N3 Ni0.75 P3 -","- C36 H72 B F4 N3 Ni0.75 P3 -","- C576 H1152 B16 F64 N48 Ni12 P48 -","16","0.333333","","Jenny Y. Yang; Stuart E. Smith; Tianbiao Liu; William G. Dougherty; Wesley A. Hoffert; W. Scott Kassel; M. Rakowski DuBois; Daniel L. DuBois; R. Morris Bullock","Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere","Journal of the American Chemical Society","2013","135","","9700","9712","10.1021/ja400705a","","","0.71073","MoKα","","0.0732","0.0709","","","0.2234","0.225","","","","","","2.004","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120002","13.5841","0.0006","22.1401","0.0011","25.5216","0.0013","68.802","0.003","81.733","0.003","87.091","0.003","7082","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H97.5 B2 F8 N4.5 Ni P4 -","- C49 H97.5 B2 F8 N4.5 Ni P4 -","- C196 H390 B8 F32 N18 Ni4 P16 -","4","2","","Jenny Y. Yang; Stuart E. Smith; Tianbiao Liu; William G. Dougherty; Wesley A. Hoffert; W. Scott Kassel; M. Rakowski DuBois; Daniel L. DuBois; R. Morris Bullock","Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere","Journal of the American Chemical Society","2013","135","","9700","9712","10.1021/ja400705a","","","0.71073","MoKα","","0.0929","0.0728","","","0.185","0.1913","","","","","","2.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120003","12.2797","0.0013","16.1354","0.0018","8.5089","0.001","90","","90.149","0.003","90","","1685.9","0.3","250","1","250","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Br2 N2 O4 -","- C16 H16 Br2 N2 O4 -","- C64 H64 Br8 N8 O16 -","4","1","","Subhas Samanta; Andrew A. Beharry; Oleg Sadovski; Theresa M. McCormick; Amirhossein Babalhavaeji; Vince Tropepe; G. Andrew Woolley","Photoswitching Azo Compounds in Vivo with Red Light","Journal of the American Chemical Society","2013","135","","9777","9784","10.1021/ja402220t","","","0.71073","MoKα","","0.063","0.0394","","","0.0895","0.0981","","","","","","1.048","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120004","10.992","0.002","14.485","0.003","8.1333","0.0015","90","","100.717","0.004","90","","1272.4","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br2 Cl6 N2 O4 -","- C18 H18 Br2 Cl6 N2 O4 -","- C36 H36 Br4 Cl12 N4 O8 -","2","0.5","","Subhas Samanta; Andrew A. Beharry; Oleg Sadovski; Theresa M. McCormick; Amirhossein Babalhavaeji; Vince Tropepe; G. Andrew Woolley","Photoswitching Azo Compounds in Vivo with Red Light","Journal of the American Chemical Society","2013","135","","9777","9784","10.1021/ja402220t","","","0.71073","MoKα","","0.0354","0.0265","","","0.0568","0.0596","","","","","","1.03","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120005","36.643","0.005","8.7979","0.0012","19.26","0.003","90","","111.473","0.003","90","","5778.1","1.4","150","1","150","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 N4 O7 -","- C32 H34 N4 O7 -","- C256 H272 N32 O56 -","8","1","","Subhas Samanta; Andrew A. Beharry; Oleg Sadovski; Theresa M. McCormick; Amirhossein Babalhavaeji; Vince Tropepe; G. Andrew Woolley","Photoswitching Azo Compounds in Vivo with Red Light","Journal of the American Chemical Society","2013","135","","9777","9784","10.1021/ja402220t","","","0.71073","MoKα","","0.0863","0.0485","","","0.1167","0.1335","","","","","","1.006","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120006","42.633","0.008","22.6801","0.0018","41.556","0.006","90","","117.75","0.02","90","","35560","11","100.01","0.1","100.01","0.1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C150 H200 Au13 Cl Cu N O P8 S4 -","- C1184 H1280 Au104 Cl8 Cu32 N32 O32 P32 S64 -","- C1184 H1280 Au104 Cl8 Cu32 N32 O32 P32 S64 -","1","0.125","","Huayan Yang; Yu Wang; Jing Lei; Lei Shi; Xiaohu Wu; Ville Mäkinen; Shuichao Lin; Zichao Tang; Jian He; Hannu Häkkinen; Lansun Zheng; Nanfeng Zheng","Ligand-Stabilized Au13Cux (x= 2, 4, 8) Bimetallic Nanoclusters: Ligand Engineering to Control the Exposure of Metal Sites","Journal of the American Chemical Society","2013","135","","9568","9571","10.1021/ja402249s","","","1.5418","CuKα","","0.094","0.0723","","","0.1894","0.2047","","","","","","1.09","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4120007","16.113","0.0009","18.391","0.0008","24.9731","0.001","90.86","0.003","101.783","0.004","93.627","0.004","7227","0.6","100.01","0.1","100.01","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C138 H114 Au13 Cl Cu2 N6 O3 P6 S6 -","- C138 H114 Au13 Cl Cu2 N6 O3 P6 S6 -","- C276 H228 Au26 Cl2 Cu4 N12 O6 P12 S12 -","2","1","","Huayan Yang; Yu Wang; Jing Lei; Lei Shi; Xiaohu Wu; Ville Mäkinen; Shuichao Lin; Zichao Tang; Jian He; Hannu Häkkinen; Lansun Zheng; Nanfeng Zheng","Ligand-Stabilized Au13Cux (x= 2, 4, 8) Bimetallic Nanoclusters: Ligand Engineering to Control the Exposure of Metal Sites","Journal of the American Chemical Society","2013","135","","9568","9571","10.1021/ja402249s","","","1.5418","CuKα","","0.1305","0.0868","","","0.2293","0.274","","","","","","1.009","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4120008","15.462","0.003","16.278","0.003","21.093","0.004","94.71","0.03","104.64","0.03","90.33","0.03","5117.3","1.8","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C65 H58 Au13 Cl10.5 Cu8 N12 O3 S12 -","- C65 H58 Au13 Cl10.5 Cu8 N12 O3 S12 -","- C130 H116 Au26 Cl21 Cu16 N24 O6 S24 -","2","1","","Huayan Yang; Yu Wang; Jing Lei; Lei Shi; Xiaohu Wu; Ville Mäkinen; Shuichao Lin; Zichao Tang; Jian He; Hannu Häkkinen; Lansun Zheng; Nanfeng Zheng","Ligand-Stabilized Au13Cux (x= 2, 4, 8) Bimetallic Nanoclusters: Ligand Engineering to Control the Exposure of Metal Sites","Journal of the American Chemical Society","2013","135","","9568","9571","10.1021/ja402249s","","","0.71073","MoKα","","0.1108","0.0743","","","0.1997","0.244","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120009","8.4097","0.0012","9.3623","0.0014","16.113","0.002","82.118","0.002","79.502","0.002","84.438","0.002","1232.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","cmpd1","cmpd1","","- C21 H41 Cl N5 Ta -","- C21 H41 Cl N5 Ta -","- C42 H82 Cl2 N10 Ta2 -","2","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0155","0.0148","","","0.0337","0.0339","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120010","8.5408","0.0006","32.248","0.002","9.6684","0.0007","90","","114.138","0.001","90","","2430.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cmpd2","Ta-complex","","- C21 H40 N5 Ta -","- C21 H40 N5 Ta -","- C84 H160 N20 Ta4 -","4","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0348","0.0331","","","0.0679","0.0686","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120011","8.6584","0.0005","32.0742","0.0019","9.6122","0.0006","90","","115.062","0.001","90","","2418.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cmpd3","Ta-complex","","- C21 H42 N5 Ta -","- C21 H42 N5 Ta -","- C84 H168 N20 Ta4 -","4","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0276","0.0237","","","0.044","0.0452","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120012","8.9603","0.0003","26.6795","0.001","9.6516","0.0004","90","","92.2","0.001","90","","2305.58","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ta-complex","Ta-complex","","- C21 H40 N5 Ta -","- C21 H40 N5 Ta -","- C84 H160 N20 Ta4 -","4","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0156","0.0145","","","0.0318","0.0322","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120013","8.9354","0.0009","13.3297","0.0013","17.8137","0.0017","110.212","0.0013","92.9333","0.0014","107.098","0.0014","1875.3","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","Ta-complex","Ta-complex AK-505","","- C32 H53 Cl F3 N5 O3 S Ta -","- C32 H53 Cl F3 N5 O3 S Ta -","- C64 H106 Cl2 F6 N10 O6 S2 Ta2 -","2","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0183","0.0171","","","0.0378","0.0381","","","","","","1.002","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120014","10.7149","0.0007","16.1159","0.0011","17.1925","0.0012","90","","95.379","0.001","90","","2955.7","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Ta-complex","Ta-complex","","- C23 H44 F3 N5 O3 S Ta -","- C23 H44 F3 N5 O3 S Ta -","- C92 H176 F12 N20 O12 S4 Ta4 -","4","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0425","0.0278","","","0.0541","0.0568","","","","","","0.999","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120015","11.3498","0.0006","11.3498","0.0006","31.8364","0.0017","90","","90","","90","","4101.1","0.4","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Ta-complex","Ta-complex, AK-750","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C152 H280 N32 Ta8 -","4","0.5","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0145","0.0139","","","0.0312","0.0314","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120016","11.1501","0.0007","11.8403","0.0008","14.9152","0.001","90","","90.438","0.001","90","","1969.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","?Ta2-complex","Ta2-complex","","- C38 H70 N8 Ta2 -","- C38 H70 N8 Ta2 -","- C76 H140 N16 Ta4 -","2","0.5","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.0158","0.0148","","","0.0346","0.035","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120017","9.9723","0.0018","22.562","0.004","11.833","0.002","90","","104.635","0.003","90","","2576","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Ta-complex","Ta-complex, AK-747","","- C20 H36 F3 N4 O3 S Ta -","- C20 H36 F3 N4 O3 S Ta -","- C80 H144 F12 N16 O12 S4 Ta4 -","4","1","","Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita","N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation","Journal of the American Chemical Society","2013","135","","9580","9583","10.1021/ja402804k","","","0.71073","MoKα","","0.027","0.021","","","0.0399","0.0421","","","","","","1","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120018","8.3212","0.0003","22.1167","0.0008","29.02","0.0011","90","","90","","90","","5340.8","0.3","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Pr Si3 -","- C24 H39 Pr Si3 -","- C192 H312 Pr8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0213","0.0161","","","0.0366","0.0387","","","","","","1.03","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120019","8.2454","0.0005","22.2395","0.0014","28.8097","0.0019","90","","90","","90","","5282.9","0.6","143","2","143","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Gd Si3 -","- C24 H39 Gd Si3 -","- C192 H312 Gd8 Si24 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0285","0.0191","","","0.0395","0.0426","","","","","","1.017","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120020","8.2228","0.0004","22.232","0.001","28.7772","0.0013","90","","90","","90","","5260.7","0.4","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H39 Si3 Tb -","- C24 H39 Si3 Tb -","- C192 H312 Si24 Tb8 -","8","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.028","0.0214","","","0.0415","0.0431","","","","","","1.172","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120021","11.2443","0.0004","16.9952","0.0006","22.5245","0.0008","90","","90","","90","","4304.4","0.3","88","2","88","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H63 K O6 Si3 Tb -","- C36 H63 K O6 Si3 Tb -","- C144 H252 K4 O24 Si12 Tb4 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.014","0.0137","","","0.0336","0.0337","","","","","","1.054","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120022","14.4844","0.0009","22.3688","0.0014","16.1438","0.001","90","","98.5465","0.0008","90","","5172.5","0.6","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H80 K O9.5 Si3 Tb -","- C44 H80 K O9.5 Si3 Tb -","- C176 H320 K4 O38 Si12 Tb4 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0869","0.0524","","","0.134","0.1511","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120023","25.7503","0.0014","11.6143","0.0006","26.3215","0.0014","90","","104.005","0.0006","90","","7638","0.7","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H115 K2 O13.5 Si4 Tb -","- C62 H115 K2 O13.5 Si4 Tb -","- C248 H460 K8 O54 Si16 Tb4 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0299","0.0254","","","0.0669","0.0695","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120024","15.8992","0.0009","24.2949","0.0014","13.7571","0.0008","90","","91.0257","0.0008","90","","5313.1","0.5","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 Y -","- C46 H83 K N2 O7 Si3 Y -","- C184 H332 K4 N8 O28 Si12 Y4 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0424","0.0323","","","0.0789","0.0841","","","","","","1.03","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4120025","15.9987","0.0009","24.4707","0.0014","13.7603","0.0008","90","","90.8674","0.0006","90","","5386.5","0.5","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Pr Si3 -","- C46 H83 K N2 O7 Pr Si3 -","- C184 H332 K4 N8 O28 Pr4 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0269","0.0227","","","0.0543","0.0564","","","","","","1.024","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120026","15.9191","0.0008","24.3312","0.0012","13.7559","0.0007","90","","90.9458","0.0006","90","","5327.4","0.5","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Gd K N2 O7 Si3 -","- C46 H83 Gd K N2 O7 Si3 -","- C184 H332 Gd4 K4 N8 O28 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0349","0.0267","","","0.0657","0.0702","","","","","","1.047","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120027","15.9129","0.0008","24.3571","0.0013","13.7599","0.0007","90","","91.0302","0.0006","90","","5332.4","0.5","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 Tb -","- C46 H83 K N2 O7 Si3 Tb -","- C184 H332 K4 N8 O28 Si12 Tb4 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0235","0.0206","","","0.0503","0.0518","","","","","","1.031","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4120028","15.8865","0.0011","24.288","0.0017","13.7582","0.001","90","","91.0012","0.0009","90","","5307.8","0.6","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Ho K N2 O7 Si3 -","- C46 H83 Ho K N2 O7 Si3 -","- C184 H332 Ho4 K4 N8 O28 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0242","0.0209","","","0.0528","0.0541","","","","","","1.035","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120029","15.8795","0.001","24.3388","0.0015","13.7684","0.0008","90","","91.105","0.0008","90","","5320.3","0.6","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 Er K N2 O7 Si3 -","- C46 H83 Er K N2 O7 Si3 -","- C184 H332 Er4 K4 N8 O28 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0352","0.027","","","0.0635","0.0671","","","","","","1.044","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120030","15.855","0.0006","24.2448","0.001","13.7587","0.0006","90","","91.0881","0.0005","90","","5287.9","0.4","83","2","83","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K Lu N2 O7 Si3 -","- C46 H83 K Lu N2 O7 Si3 -","- C184 H332 K4 Lu4 N8 O28 Si12 -","4","1","","Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+","Journal of the American Chemical Society","2013","135","","9857","9868","10.1021/ja403753j","","","0.71073","MoKα","","0.0301","0.0224","","","0.046","0.0484","","","","","","1.046","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4120031","14.733","0.003","28.59","0.006","15.682","0.003","90","","90.04","0.03","90","","6606","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H7 Dy F18 N3 O7 S2 -","- C23 H7 Dy F18 N3 O7 S2 -","- C184 H56 Dy8 F144 N24 O56 S16 -","8","2","","Elisabeth M. Fatila; Mathieu Rouzières; Michael C. Jennings; Alan J. Lough; Rodolphe Clérac; Kathryn E. Preuss","Fine-Tuning the Single-Molecule Magnet Properties of a [Dy(III)-Radical]2 Pair","Journal of the American Chemical Society","2013","135","","9596","9599","10.1021/ja403794d","","","0.71073","MoKα","","0.1173","0.0679","","","0.1685","0.2072","","","","","","1.057","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120032","14.7789","0.0004","28.565","0.0007","15.7335","0.0004","90","","90.177","0.002","90","","6642","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H7 F18 Gd N3 O7 S2 -","- C23 H7 F18 Gd N3 O7 S2 -","- C184 H56 F144 Gd8 N24 O56 S16 -","8","2","","Elisabeth M. Fatila; Mathieu Rouzières; Michael C. Jennings; Alan J. Lough; Rodolphe Clérac; Kathryn E. Preuss","Fine-Tuning the Single-Molecule Magnet Properties of a [Dy(III)-Radical]2 Pair","Journal of the American Chemical Society","2013","135","","9596","9599","10.1021/ja403794d","","","0.71073","MoKα","","0.0555","0.045","","","0.0915","0.097","","","","","","1.215","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120033","7.3072","0.0009","5.243","0.0008","14.403","0.002","90","","91.498","0.013","90","","551.61","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hx2-DNBTO","dihydroxylammonium 3,3-dinitro-5,5-bis-1,2,4-triazole-1,1-diolate","","- C4 H8 N10 O8 -","- C4 H8 N10 O8 -","- C8 H16 N20 O16 -","2","0.5","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.0471","0.0371","","","0.0898","0.0989","","","","","","1.068","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120034","6.445","0.0009","6.668","0.0009","8.355","0.001","70.361","0.012","84.081","0.011","71.805","0.012","321.26","0.08","173","2","173","2","","","","","","","diammonium 3,3-dinitro-5,5-bis-1,2,4-triazole-1,1-diolate","4","P -1","-P 1","2","(NH4)2-DNBTO","","","- C4 H12 N10 O8 -","- C4 H12 N10 O8 -","- C4 H12 N10 O8 -","1","0.5","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.0479","0.0369","","","0.0866","0.0946","","","","","","1.058","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120035","3.7353","0.0008","8.0154","0.0018","10.311","0.002","70.73","0.02","89.21","0.017","85.998","0.018","290.69","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","(N2H5)2-DNBTO","dihydrazinium 3,3-dinitro-5,5-bis-1,2,4-triazole-1,1-diolate","","- C4 H10 N12 O6 -","- C4 H10 N12 O6 -","- C4 H10 N12 O6 -","1","0.5","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.0765","0.048","","","0.1058","0.121","","","","","","1.041","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120036","3.5347","0.0012","21.663","0.005","9.173","0.003","90","","95.64","0.03","90","","699","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(G)2-DNBTO","diguanidinium 3,3-dinitro-5,5-bis-1,2,4-triazole-1,1-diolate","","- C6 H12 N14 O6 -","- C6 H12 N14 O6 -","- C12 H24 N28 O12 -","2","0.5","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.1288","0.0675","","","0.1301","0.1622","","","","","","0.992","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120037","22.093","0.005","3.6024","0.0007","19.531","0.003","90","","100.14","0.015","90","","1530.2","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(AG)2-DNBTO","di(diaminoguanidinium) 3,3-dinitro-5,5-bis-1,2,4-triazole-1,1-diolate","","- C6 H14 N16 O6 -","- C6 H14 N16 O6 -","- C24 H56 N64 O24 -","4","0.5","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.0772","0.0476","","","0.0951","0.1091","","","","","","0.962","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120038","6.1636","0.0006","5.0469","0.0004","16.7645","0.0017","90","","95.648","0.009","90","","518.96","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N8 O8 -","- C4 H6 N8 O8 -","- C8 H12 N16 O16 -","2","0.5","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.0431","0.0342","","","0.0838","0.0896","","","","","","1.054","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120039","26.168","0.005","3.542","0.0007","21.18","0.004","90","","108.7","0.03","90","","1859.5","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(TAG)2-DNBTO","di(triaminoguanidinium) 3,3-dinitro-5,5-bis-1,2,4-triazole-1,1-diolate","","- C12 H40 N40 O14 -","- C12 H40 N40 O14 -","- C24 H80 N80 O28 -","2","0.25","","Alexander A. Dippold; Thomas M. Klapötke","A Study of Dinitro-bis-1,2,4-triazole-1,1'-diol and Derivatives: Design of High-Performance Insensitive Energetic Materials by the Introduction of N-Oxides","Journal of the American Chemical Society","2013","135","","9931","9938","10.1021/ja404164j","","","0.71073","MoKα","","0.077","0.0529","","","0.1391","0.1578","","","","","","1.033","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120040","10.3826","0.0009","5.8079","0.0005","4.9429","0.0004","90","","90.072","0.004","90","","298.06","0.04","100","2","100.04","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- Ag F4 Na O4 V2 -","- Ag F4 Na O4 V2 -","- Ag2 F8 Na2 O8 V4 -","2","0.5","","Martin D. Donakowski; Arno Görne; John T. Vaughey; Kenneth R. Poeppelmeier","AgNa(VO2F2)2: A Trioxovanadium Fluoride with Unconventional Electrochemical Properties","Journal of the American Chemical Society","2013","135","","9898","9906","10.1021/ja404189t","","","0.71073","MoKα","","0.0166","0.0165","","","0.0439","0.044","","","","","","0.952","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120041","9.9951","0.0004","5.6771","0.0002","4.868","0.0002","90","","90.596","0.002","90","","276.211","0.019","100","2","99.97","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- Ag F4 Li O4 V2 -","- Ag F4 Li O4 V2 -","- Ag2 F8 Li2 O8 V4 -","2","0.5","","Martin D. Donakowski; Arno Görne; John T. Vaughey; Kenneth R. Poeppelmeier","AgNa(VO2F2)2: A Trioxovanadium Fluoride with Unconventional Electrochemical Properties","Journal of the American Chemical Society","2013","135","","9898","9906","10.1021/ja404189t","","","1.54184","CUKα","","0.02","0.0199","","","0.0539","0.0542","","","","","","1.192","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120042","8.4006","0.0001","11.4567","0.0002","13.1736","0.0002","78.692","0.001","72.13","0.001","89.492","0.001","1181.49","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","3S,5R,7R,8R,11R-8-Hydroxy-3-benzyl-8-methyl-5-(4-oxo-3H-quinazolin-3-yl)- 9,10-benzo-2-oxo-1,4-diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C29 H26 N4 O3 -","- C29 H26 N4 O3 -","- C58 H52 N8 O6 -","2","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0388","0.0342","","","0.0891","0.094","","","","","","0.999","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120043","12.8718","0.0006","17.5734","0.0008","11.9558","0.0006","90","","114.932","0.001","90","","2452.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","9R,10R,14S,18R-9-Hydroxy-14-methyl-5-(4-methylbenzenesulfonylimino)- 1,17-benzo-15-oxo-13,16-diazapentacyclo[7.7.1.1^10,16^.0^13,18^.0^5,17^] octadec-1,3,5(17)-triene","","- C24 H25 N3 O4 S -","- C24 H25 N3 O4 S -","- C96 H100 N12 O16 S4 -","4","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0516","0.0423","","","0.1664","0.1831","","","","","","0.779","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120044","9.5559","0.0005","11.9955","0.0007","13.3585","0.0007","96.649","0.003","109.34","0.002","100.316","0.003","1395.98","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","9R,10R,14S,18R-9-Hydroxy-14-(4-(1H-pyrrol-1-yl)butyl)-5- (4-methylbenzenesulfonylimino)-1,17-benzo-15-oxo-13,16- diazapentacyclo[7.7.1.110,16.013,18.05,17]octadec- 1,3,5(17)-triene","","- C31 H34 N4 O4 S -","- C31 H34 N4 O4 S -","- C62 H68 N8 O8 S2 -","2","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.055","0.0499","","","0.2249","0.245","","","","","","1.161","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120045","9.7606","0.0004","11.2605","0.0004","13.1835","0.0005","104.075","0.002","110.344","0.002","93.56","0.002","1300.57","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3R,7S,8S,11S-8-Hydroxy-3-phenyl-5-(4-methylbenzenesulfonylimino) -9,10-benzo-2-oxo-1,4-diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C26 H23 N3 O4 S -","- C26 H23 N3 O4 S -","- C52 H46 N6 O8 S2 -","2","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0401","0.0372","","","0.1063","0.1087","","","","","","1.062","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120046","8.6992","0.0006","11.7188","0.0008","12.3001","0.0008","75.439","0.003","87.536","0.003","76.285","0.003","1178.86","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3S,7R,8S,11R-8-Hydroxy-3-benzyl-5-(4-methylbenzenesulfonylimino)- 9,10-benzo-2-oxo-1,4-diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C27 H25 N3 O4 S -","- C27 H25 N3 O4 S -","- C54 H50 N6 O8 S2 -","2","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.04","0.0348","","","0.0968","0.1026","","","","","","0.945","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120047","9.1066","0.0003","12.446","0.0003","18.9802","0.0005","73.664","0.001","86.786","0.001","69.924","0.001","1936.99","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Z,Z-8-Hydroxy-8-methyl-5-(4-methylbenzenesulfonylimino)- 9,10-benzo-2-oxo-1,4 diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C21 H21 N3 O4 S -","- C21 H21 N3 O4 S -","- C84 H84 N12 O16 S4 -","4","2","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0398","0.0362","","","0.1043","0.1091","","","","","","0.945","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120048","9.6538","0.0005","11.8172","0.0006","12.9212","0.0006","102.926","0.002","109.315","0.002","94.956","0.002","1335.07","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3R,7S,8S,11S-8-Hydroxy-8-methyl-3-phenyl-5-(4-methylbenzenesulfonylimino)- 9,10-benzo-2-oxo-1,4-diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C27 H25 N3 O4 S -","- C27 H25 N3 O4 S -","- C54 H50 N6 O8 S2 -","2","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0403","0.0364","","","0.0989","0.1016","","","","","","1.067","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120049","9.787","0.0004","11.8447","0.0004","12.9653","0.0005","79.792","0.002","72.436","0.002","83.902","0.002","1408.01","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","3S,7R,8R,11R-8-Hydroxy-3-benzyl-8-methyl-5-(4-methylbenzenesulfonylimino)- 9,10-benzo-2-oxo-1,4 diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C28 H27 N3 O4 S -","- C28 H27 N3 O4 S -","- C56 H54 N6 O8 S2 -","2","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0404","0.0376","","","0.0883","0.0899","","","","","","0.939","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120050","8.8046","0.0003","30.0897","0.0011","9.3901","0.0003","90","","105.62","0.002","90","","2395.82","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3S,7R,8R,11R-8-Hydroxy-3-benzyl-8-methyl-5-(4-chlorobenzenesulfonylimino)- 9,10-benzo-2-oxo-1,4 diazatricyclo[5.3.1.0^4,11^]undec-9-ene","","- C27 H24 Cl N3 O4 S -","- C27 H24 Cl N3 O4 S -","- C108 H96 Cl4 N12 O16 S4 -","4","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0433","0.0412","","","0.1052","0.1069","","","","","","1.078","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120051","11.7152","0.0007","9.8987","0.0006","16.2461","0.001","90","","97.67","0.003","90","","1867.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C88 H100 N12 O8 -","4","1","","N.N. Bhuvan Kumar; Olga A. Mukhina; Andrei G. Kutateladze","Photoassisted Synthesis of Enantiopure Alkaloid Mimics Possessing Unprecedented Polyheterocyclic Cores","Journal of the American Chemical Society","2013","135","","9608","9611","10.1021/ja4042109","","","0.71073","MoKα","","0.0458","0.0427","","","0.2094","0.2281","","","","","","1.109","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120052","9.156","0.003","32.885","0.011","27.081","0.009","90","","92.749","0.009","90","","8145","5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77.25 H55 B F24 N11 O0.25 -","- C77.25 H54 B F24 N11 O0.25 -","- C309 H216 B4 F96 N44 O -","4","1","","David A. Leigh; Craig C. Robertson; Alexandra M. Z. Slawin; Patrick I. T. Thomson","AAAA-DDDD Quadruple Hydrogen-Bond Arrays Featuring NH...N and CH...N Hydrogen Bonds","Journal of the American Chemical Society","2013","135","","9939","9943","10.1021/ja404504m","","","1.54178","CuKα","","0.2981","0.2181","","","0.4941","0.5297","","","","","","1.584","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120053","15.5861","0.0006","19.4893","0.0007","24.7864","0.0011","90","","90","","90","","7529.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33.5 H55 N3 O6.5 Si -","- C33.5 H55 N3 O6.5 Si -","- C268 H440 N24 O52 Si8 -","8","2","","Mayumi Kudo; Victor Maurizot; Brice Kauffmann; Aya Tanatani; Ivan Huc","Folding of a Linear Array of α-Amino Acids within a Helical Aromatic Oligoamide Frame","Journal of the American Chemical Society","2013","135","","9628","9631","10.1021/ja404656z","","","1.54178","CuKα","","0.1025","0.0871","","","0.1917","0.2018","","","","","","0.971","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120054","12.6657","0.0008","13.5105","0.0009","15.0507","0.0009","102.063","0.004","110.663","0.004","96.127","0.005","2310.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 N5 O8 Si -","- C44 H60 N5 O8 Si -","- C88 H120 N10 O16 Si2 -","2","1","","Mayumi Kudo; Victor Maurizot; Brice Kauffmann; Aya Tanatani; Ivan Huc","Folding of a Linear Array of α-Amino Acids within a Helical Aromatic Oligoamide Frame","Journal of the American Chemical Society","2013","135","","9628","9631","10.1021/ja404656z","","","1.54178","CuKα","","0.0673","0.0619","","","0.1626","0.17","","","","","","1.106","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120055","15.9947","0.0006","18.9533","0.0007","29.923","0.0012","97.74","0.002","92.316","0.002","112.924","0.002","8235.7","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H180 N20 O24 Si -","- C146 H180 N20 O24 Si -","- C292 H360 N40 O48 Si2 -","2","1","","Mayumi Kudo; Victor Maurizot; Brice Kauffmann; Aya Tanatani; Ivan Huc","Folding of a Linear Array of α-Amino Acids within a Helical Aromatic Oligoamide Frame","Journal of the American Chemical Society","2013","135","","9628","9631","10.1021/ja404656z","","","1.54178","CuKα","","0.0965","0.0873","","","0.251","0.2596","","","","","","1.073","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120056","9.0547","0.0002","33.4719","0.0008","13.5746","0.0004","90","","106.867","0.002","90","","3937.18","0.18","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H55.97 Al Cl0.03 N3 O -","- C47 H55.967 Al Cl0.033 N3 O -","- C188 H223.868 Al4 Cl0.132 N12 O4 -","4","1","","Thomas W. Myers; Louise A. Berben","Aluminum-Ligand Cooperative N-H Bond Activation and an Example of Dehydrogenative Coupling","Journal of the American Chemical Society","2013","135","","9988","9990","10.1021/ja4032874","","","1.54178","CuKα","","0.0901","0.0713","","","0.1799","0.1905","","","","","","0.942","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120057","9.563","0.0001","26.0112","0.0003","20.3273","0.0002","90","","113.367","0.001","90","","4641.61","0.09","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H67 Al N4 -","- C55 H67 Al N4 -","- C220 H268 Al4 N16 -","4","1","","Thomas W. Myers; Louise A. Berben","Aluminum-Ligand Cooperative N-H Bond Activation and an Example of Dehydrogenative Coupling","Journal of the American Chemical Society","2013","135","","9988","9990","10.1021/ja4032874","","","1.54178","CuKα","","0.0696","0.0627","","","0.1614","0.1675","","","","","","0.968","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120058","11.2186","0.0008","11.9316","0.0007","19.0121","0.0012","82.302","0.004","75.827","0.004","83.803","0.005","2437.7","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H72 Al N4 -","- C58 H72 Al N4 -","- C116 H144 Al2 N8 -","2","1","","Thomas W. Myers; Louise A. Berben","Aluminum-Ligand Cooperative N-H Bond Activation and an Example of Dehydrogenative Coupling","Journal of the American Chemical Society","2013","135","","9988","9990","10.1021/ja4032874","","","1.54178","CuKα","","0.0846","0.0683","","","0.1752","0.1921","","","","","","1.035","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120059","17.7861","0.0008","25.467","0.0011","16.9855","0.0007","90","","96.057","0.001","90","","7650.8","0.6","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 S2 Sn -","- C84 H122 S2 Sn -","- C336 H488 S8 Sn4 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0569","0.0385","","","0.0778","0.0823","","","","","","1.049","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120060","24.224","0.003","16.7573","0.0018","16.1341","0.0017","90","","100.539","0.001","90","","6438.8","1.3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H98 Ge O3 S2 -","- C72 H98 Ge O3 S2 -","- C288 H392 Ge4 O12 S8 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0415","0.034","","","0.092","0.095","","","","","","1.09","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120061","23.744","0.002","16.4508","0.0015","16.9341","0.0016","90","","90","","90","","6614.6","1","90","2","90","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C74 H96 K2 O2 S2 -","- C73.5 H96 K2 O2 S2 -","- C294 H384 K8 O8 S8 -","4","","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.066","0.0568","","","0.1498","0.1602","","","","","","1.083","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120062","17.634","0.0005","25.4852","0.0008","16.981","0.0005","90","","95.557","0.002","90","","7595.5","0.4","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H122 Ge S2 -","- C84 H122 Ge S2 -","- C336 H488 Ge4 S8 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0486","0.0369","","","0.0941","0.0991","","","","","","1.056","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120063","13.7419","0.0007","18.3354","0.0009","16.0515","0.0008","90","","95.268","0.001","90","","4027.3","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 S2 Sn -","- C48 H50 S2 Sn -","- C192 H200 S8 Sn4 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0333","0.0256","","","0.0642","0.0673","","","","","","1.028","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120064","13.5253","0.0007","18.4563","0.001","16.0363","0.0009","90","","95.412","0.003","90","","3985.2","0.4","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 Ge S2 -","- C48 H50 Ge S2 -","- C192 H200 Ge4 S8 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0406","0.0315","","","0.0796","0.0837","","","","","","1.041","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120065","26.261","0.008","18.385","0.005","41.86","0.015","90","","106.844","0.004","90","","19343","11","90","2","90","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C108 H147 Ge1.5 S3 -","- C108 H147 Ge1.5 S3 -","- C864 H1176 Ge12 S24 -","8","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.2039","0.1622","","","0.3875","0.4228","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120066","15.4658","0.0014","16.1684","0.0015","20.5084","0.0019","90","","91.888","0.005","90","","5125.5","0.8","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H74 Se2 -","- C60 H74 Se2 -","- C240 H296 Se8 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0221","0.0207","","","0.0548","0.0556","","","","","","1.056","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120067","18.9259","0.0007","20.5025","0.0008","21.5699","0.0009","63.6843","0.0019","71.606","0.002","86.6429","0.0019","7086.4","0.5","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H106 S2 Sn -","- C79 H106 S2 Sn -","- C316 H424 S8 Sn4 -","4","2","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0419","0.0307","","","0.0766","0.083","","","","","","1.011","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120068","9.2869","0.0013","12.812","0.002","13.0226","0.0018","110.151","0.003","98.376","0.002","109.783","0.002","1307.1","0.3","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H74 Se3 -","- C60 H74 Se3 -","- C60 H74 Se3 -","1","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0662","0.0605","","","0.1633","0.1699","","","","","","1.079","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120069","18.9118","0.0019","18.2344","0.0018","18.9591","0.0019","90","","90.707","0.005","90","","6537.5","1.1","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H98 Pb S2 -","- C72 H98 Pb S2 -","- C288 H392 Pb4 S8 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0234","0.0189","","","0.0446","0.0462","","","","","","1.039","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120070","17.9394","0.0017","17.0457","0.0017","31.175","0.003","90","","91.243","0.005","90","","9530.7","1.6","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C108 H146 Pb S2 -","- C108 H146 Pb S2 -","- C432 H584 Pb4 S8 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.024","0.0205","","","0.05","0.0519","","","","","","1.023","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120071","21.3874","0.0012","74.376","0.004","14.0041","0.0008","90","","90","","90","","22276","2","90","2","90","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C60 H74.1 Cl0.1 Se1.86 Sn0.9 -","- C60 H74.038 Cl0.1 Se1.862 Sn0.9 -","- C960 H1184.61 Cl1.6 Se29.792 Sn14.4 -","16","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0259","0.0239","","","0.0501","0.0507","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120072","18.7861","0.0017","16.3476","0.0015","34.614","0.003","90","","90","","90","","10630.2","1.7","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C60 H74 Ge Se2 -","- C60 H74 Ge Se2 -","- C480 H592 Ge8 Se16 -","8","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0371","0.0298","","","0.0709","0.073","","","","","","1.042","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120073","26.0349","0.001","12.9722","0.0005","22.5882","0.0009","90","","98.173","0.002","90","","7551.2","0.5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H112 Br2 S2 Si -","- C78 H112 Br2 S2 Si -","- C312 H448 Br8 S8 Si4 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","1.54178","CuKα","","0.0387","0.0359","","","0.0946","0.0964","","","","","","1.044","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120074","26.2117","0.0018","18.3555","0.0013","41.77","0.004","90","","106.83","0.004","90","","19236","3","90","2","90","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C144 H196 S4 Si2 -","- C108.5 S4.22 Si2.35 -","- C868 S33.76 Si18.8 -","8","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","1.54178","CuKα","","0.285","0.2423","","","0.5481","0.5918","","","","","","2.42","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120075","16.7748","0.0008","16.8855","0.0008","47.454","0.002","90","","94.862","0.002","90","","13393","1.1","90","2","90","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C146 H202 Br0.1 K1.9 O10 S4 Si -","- C146 H202 Br0.1 K1.9 O10 S4 Si -","- C584 H808 Br0.4 K7.6 O40 S16 Si4 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","1.54178","CuKα","","0.0588","0.0545","","","0.1382","0.142","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120076","15.2876","0.0004","13.9974","0.0003","27.6242","0.0006","90","","92.86","0.001","90","","5903.8","0.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H82 Br2 O1.18 S2 Si -","- C64 H82 Br2 O1.18 S2 Si -","- C256 H328 Br8 O4.72 S8 Si4 -","4","1","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","1.54178","CuKα","","0.0378","0.0348","","","0.0931","0.095","","","","","","1.024","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120077","24.4858","0.0016","16.6035","0.0011","16.1184","0.0011","90","","100.211","0.001","90","","6449.1","0.7","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H98 O3 S2 Sn -","- C72 H98 O3 S2 Sn -","- C288 H392 O12 S8 Sn4 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; James C. Fettinger; Felicitas Lips; Heikki M. Tuononen; Rolfe H. Herber; Philip P. Power","Dispersion Forces and Counterintuitive Steric Effects in Main Group Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues with Sub-90° Interligand Bond Angles","Journal of the American Chemical Society","2013","135","","10134","10148","10.1021/ja403802a","","","0.71073","MoKα","","0.0652","0.0512","","","0.1268","0.1322","","","","","","1.058","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120078","19.7269","0.0004","19.7269","0.0004","19.7269","0.0004","90","","90","","90","","7676.7","0.3","100","2","100","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C139 H122 Br12 Cl14 N12 O12 -","- C139 H121.92 Br12 Cl14.04 N12 O12 -","- C278 H243.84 Br24 Cl28.08 N24 O24 -","2","0.0833333","","Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper","Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry","Journal of the American Chemical Society","2013","135","","10007","10010","10.1021/ja403987j","","","0.71073","MoKα","","0.0633","0.0587","","","0.1619","0.1667","","","","","","1.041","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120079","20.3289","0.0013","20.3289","0.0013","20.3289","0.0013","90","","90","","90","","8401.2","0.9","100","2","100","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C187 H151 Cl21 N12 O12 -","- C187.08 H162.24 Cl19.8 N12 O12 -","- C374.16 H324.48 Cl39.6 N24 O24 -","2","0.0833333","","Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper","Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry","Journal of the American Chemical Society","2013","135","","10007","10010","10.1021/ja403987j","","","0.71073","MoKα","","0.1182","0.0933","","","0.2989","0.3347","","","","","","1.402","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120080","33.479","0.003","33.479","0.003","42.914","0.005","90","","90","","90","","48100","8","90","2","90","2","","","","","","","","5","I -4","I -4","82","","","","- C199.5 H259.5 Cl58.5 N12 O12 -","- C200.15 H258.75 Cl58.2 N12 O12 -","- C1601.2 H2070 Cl465.6 N96 O96 -","8","1","","Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper","Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry","Journal of the American Chemical Society","2013","135","","10007","10010","10.1021/ja403987j","","","0.71073","MoKα","","0.1448","0.1282","","","0.3268","0.3497","","","","","","1.529","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120081","20.3301","0.0007","20.3301","0.0007","20.3301","0.0007","90","","90","","90","","8402.7","0.5","100","2","100","2","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","","- C108 H146 Br12 Cl36 N12 O13 -","- C108 H144 Br12 Cl36 N12 O13 -","- C216 H288 Br24 Cl72 N24 O26 -","2","0.0833333","","Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper","Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry","Journal of the American Chemical Society","2013","135","","10007","10010","10.1021/ja403987j","","","0.71073","MoKα","","0.056","0.0446","","","0.117","0.1252","","","","","","1.049","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120082","16.9903","0.0014","24.271","0.002","33.979","0.003","105.701","0.004","98.249","0.004","91.642","0.004","13316","2","152","2","152","2","","","","","","","","4","P -1","-P 1","2","Au28(SR)20","","","- C200 H260 Au28 S20 -","- C160 Au28 S20 -","- C320 Au56 S40 -","2","1","","Chenjie Zeng; Tao Li; Anindita Das; Nathaniel L. Rosi; Rongchao Jin","Chiral Structure of Thiolate-Protected 28-Gold-Atom Nanocluster Determined by X-ray Crystallography","Journal of the American Chemical Society","2013","135","","10011","10013","10.1021/ja404058q","","","1.54178","CuKα","","0.1749","0.1482","","","0.3614","0.3822","","","","","","1.093","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120083","9.2307","0.0005","24.102","0.005","17.767","0.003","90","","96.122","0.008","90","","3930.2","1.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 Cl4 N4 S4 -","- C42 H28 Cl4 N4 S4 -","- C168 H112 Cl16 N16 S16 -","4","0.5","","Sébastien Bivaud; Sébastien Goeb; Vincent Croué; Paul I. Dron; Magali Allain; Marc Sallé","Self-Assembled Containers Based on Extended Tetrathiafulvalene","Journal of the American Chemical Society","2013","135","","10018","10021","10.1021/ja404072w","","x-ray","0.71073","MoKα","","0.0912","0.0514","","","0.1139","0.1404","","","","","","1.07","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120084","17.569","0.002","18.282","0.004","22.749","0.004","108.95","0.01","104.66","0.01","101.62","0.01","6357","2","160","2","160","2","","","","","","","","9","P -1","-P 1","2","","","","- C240 H224 F24 Fe4 N8 O40 P8 Pd4 S16 -","- C240 H160 F24 Fe4 N8 O40 P8 Pd4 S16 -","- C240 H160 F24 Fe4 N8 O40 P8 Pd4 S16 -","1","0.5","","Sébastien Bivaud; Sébastien Goeb; Vincent Croué; Paul I. Dron; Magali Allain; Marc Sallé","Self-Assembled Containers Based on Extended Tetrathiafulvalene","Journal of the American Chemical Society","2013","135","","10018","10021","10.1021/ja404072w","","x-ray","0.71073","MoKα","","0.1884","0.0875","","","0.2034","0.277","","","","","","1.075","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120085","20.05","0.007","23.801","0.001","29.706","0.005","90","","109.59","0.02","90","","13355","5","180","2","180","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C216 H160 Fe4 N8 O68 P8 Pt4 S8 -","- C216 H160 Fe4 N8 O68 P8 Pt4 S8 -","- C432 H320 Fe8 N16 O136 P16 Pt8 S16 -","2","0.5","","Sébastien Bivaud; Sébastien Goeb; Vincent Croué; Paul I. Dron; Magali Allain; Marc Sallé","Self-Assembled Containers Based on Extended Tetrathiafulvalene","Journal of the American Chemical Society","2013","135","","10018","10021","10.1021/ja404072w","","x-ray","0.71073","MoKα","","0.4583","0.1559","","","0.349","0.5275","","","","","","1.151","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120086","12.7726","0.0006","9.604","0.0003","12.9081","0.0007","90","","106.88","0.005","90","","1515.19","0.13","293","2","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H27 Cl3 N2 O5 S -","- C31 H27 Cl3 N2 O5 S -","- C62 H54 Cl6 N4 O10 S2 -","2","1","","Shunxi Dong; Xiaohua Liu; Yin Zhu; Peng He; Lili Lin; Xiaoming Feng","Organocatalytic Oxyamination of Azlactones: Kinetic Resolution of Oxaziridines and Asymmetric Synthesis of Oxazolin-4-ones","Journal of the American Chemical Society","2013","135","","10026","10029","10.1021/ja404379n","","","0.7107","MoKα","","0.0702","0.0493","","","0.0999","0.1135","","","","","","1.036","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120087","20.254","0.003","20.254","0.003","18.001","0.004","90","","90","","90","","7384","2","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C52 H80 B2 F8 N8 O2 -","- C52 H80 B2 F8 N8 O2 -","- C208 H320 B8 F32 N32 O8 -","4","0.5","","Shunxi Dong; Xiaohua Liu; Yin Zhu; Peng He; Lili Lin; Xiaoming Feng","Organocatalytic Oxyamination of Azlactones: Kinetic Resolution of Oxaziridines and Asymmetric Synthesis of Oxazolin-4-ones","Journal of the American Chemical Society","2013","135","","10026","10029","10.1021/ja404379n","","","0.71073","MoKα","","0.1459","0.1263","","","0.3066","0.3154","","","","","","1.804","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120088","11.0782","0.0005","27.9893","0.0011","10.2073","0.0004","90","","103.793","0.002","90","","3073.7","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 N2 O3 Ru -","- C32 H46 N2 O3 Ru -","- C128 H184 N8 O12 Ru4 -","4","1","","Lauren E. Rosebrugh; Vanessa M. Marx; Benjamin K. Keitz; Robert H. Grubbs","Synthesis of Highly Cis, Syndiotactic Polymers via Ring-Opening Metathesis Polymerization Using Ruthenium Metathesis Catalysts","Journal of the American Chemical Society","2013","135","","10032","10035","10.1021/ja405559y","","","0.71073","MoKα","","0.0645","0.0435","","","0.1024","0.1085","","","","","","1.468","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120089","10.0144","0.0002","19.9962","0.0004","20.9918","0.0004","88.654","0.001","81.718","0.001","89.576","0.001","4158.59","0.14","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H60 Si -","- C49.985 H59.965 Si -","- C199.94 H239.86 Si4 -","4","2","","Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller","Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes","Journal of the American Chemical Society","2013","135","","10353","10361","10.1021/ja400306h","","","0.71073","MoKα","","0.1012","0.056","","","0.1297","0.1541","","","","","","1.012","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120090","9.0405","0.0002","11.9574","0.0002","21.3996","0.0004","96.116","0.001","97.708","0.001","100.865","0.001","2230.57","0.08","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.5 H65 Cl Si -","- C53.5 H65 Cl Si -","- C107 H130 Cl2 Si2 -","2","1","","Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller","Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes","Journal of the American Chemical Society","2013","135","","10353","10361","10.1021/ja400306h","","","0.71073","MoKα","","0.0716","0.052","","","0.1337","0.1482","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120091","12.4831","0.0004","16.0535","0.0006","14.5104","0.0005","90","","96.848","0.002","90","","2887.1","0.17","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Si -","- C36 H36 Si -","- C144 H144 Si4 -","4","1","","Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller","Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes","Journal of the American Chemical Society","2013","135","","10353","10361","10.1021/ja400306h","","","0.71073","MoKα","","0.0996","0.0628","","","0.1558","0.1765","","","","","","1.06","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120092","10.2363","0.0004","18.2469","0.0009","19.157","0.0009","90.417","0.003","102.865","0.003","105.219","0.003","3357.8","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H38 B F32 N Si -","- C76 H38 B F32 N Si -","- C152 H76 B2 F64 N2 Si2 -","2","1","","Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller","Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes","Journal of the American Chemical Society","2013","135","","10353","10361","10.1021/ja400306h","","","0.71073","MoKα","","0.2057","0.055","","","0.1","0.1465","","","","","","0.937","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120093","8.9511","0.0002","21.8952","0.0004","12.54","0.0003","90","","90.691","0.001","90","","2457.49","0.09","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Si -","- C30 H32 Si -","- C120 H128 Si4 -","4","1","","Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller","Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes","Journal of the American Chemical Society","2013","135","","10353","10361","10.1021/ja400306h","","","0.71073","MoKα","","0.0807","0.057","","","0.1602","0.1819","","","","","","1.041","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120094","8.8694","0.0009","9.1916","0.0009","15.9724","0.0019","77.474","0.013","76.959","0.013","61.409","0.011","1104.8","0.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 Cl2 Si -","- C24 H26 Cl2 Si -","- C48 H52 Cl4 Si2 -","2","1","","Claudia Gerdes; Wolfgang Saak; Detlev Haase; Thomas Müller","Dibenzosilanorbornadienyl Cations and Their Fragmentation into Silyliumylidenes","Journal of the American Chemical Society","2013","135","","10353","10361","10.1021/ja400306h","","","0.71073","MoKα","","0.064","0.0353","","","0.0764","0.0813","","","","","","0.84","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120095","25.266","0.003","11.4902","0.0012","22.88","0.002","90","","90.492","0.002","90","","6642.1","1.2","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C38 H52 B N11 Ni O42 W12 -","- C38 H48 B N11 Ni O42.5 W12 -","- C152 H192 B4 N44 Ni4 O170 W48 -","4","1","","Qiuxia Han; Cheng He; Min Zhao; Bo Qi; Jingyang Niu; Chunying Duan","Engineering Chiral Polyoxometalate Hybrid Metal-Organic Frameworks for Asymmetric Dihydroxylation of Olefins","Journal of the American Chemical Society","2013","135","","10186","10189","10.1021/ja401758c","","","0.71073","MoKα","","0.0504","0.038","","","0.0751","0.0792","","","","","","1.021","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120096","25.187","0.004","11.4826","0.0017","22.862","0.004","90","","90.373","0.003","90","","6611.8","1.8","296","2","296","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C38 H52 B N11 Ni O42 W12 -","- C38 H48 B N11 Ni O42 W12 -","- C152 H192 B4 N44 Ni4 O168 W48 -","4","1","","Qiuxia Han; Cheng He; Min Zhao; Bo Qi; Jingyang Niu; Chunying Duan","Engineering Chiral Polyoxometalate Hybrid Metal-Organic Frameworks for Asymmetric Dihydroxylation of Olefins","Journal of the American Chemical Society","2013","135","","10186","10189","10.1021/ja401758c","","","0.71073","MoKα","","0.069","0.049","","","0.098","0.1073","","","","","","1.003","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120097","13.414","0.0003","14.9239","0.0004","20.0622","0.0005","90","","102.665","0.002","90","","3918.52","0.17","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H45.5 B Cl0.5 N10 Ni2 O42 W12 -","- C50 H41.5 B Cl0.5 N10 Ni2 O42 W12 -","- C100 H83 B2 Cl N20 Ni4 O84 W24 -","2","1","","Qiuxia Han; Cheng He; Min Zhao; Bo Qi; Jingyang Niu; Chunying Duan","Engineering Chiral Polyoxometalate Hybrid Metal-Organic Frameworks for Asymmetric Dihydroxylation of Olefins","Journal of the American Chemical Society","2013","135","","10186","10189","10.1021/ja401758c","","","0.71073","MoKα","","0.0843","0.0576","","","0.1286","0.1412","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120098","6.7922","0.0009","20.03","0.003","20.499","0.003","90","","90","","90","","2788.8","0.7","113","2","113","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 Cl F6 N2 O S -","- C29 H27 Cl F6 N2 O S -","- C116 H108 Cl4 F24 N8 O4 S4 -","4","1","","Hong-Bo Cheng; Heng-Yi Zhang; Yu Liu","Dual-Stimulus Luminescent Lanthanide Molecular Switch Based on an Unsymmetrical Diarylperfluorocyclopentene","Journal of the American Chemical Society","2013","135","","10190","10193","10.1021/ja4018804","","","0.71073","MoKα","","0.0357","0.0309","","","0.0589","0.0602","","","","","","1.01","","","","has coordinates","178977","2020-10-21","18:00:00",""
"4120099","7.4876","0.0007","7.4876","0.0007","72.129","0.01","90","","90","","90","","4043.9","0.8","100","2","100","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C50 H62 O4 -","- C50 H62 O4 -","- C200 H248 O16 -","4","0.5","","Braulio Rodríguez-Molina; Salvador Pérez-Estrada; Miguel A. Garcia-Garibay","Amphidynamic Crystals of a Steroidal Bicyclo[2.2.2]octane Rotor: A High Symmetry Group That Rotates Faster than Smaller Methyl and Methoxy Groups","Journal of the American Chemical Society","2013","135","","10388","10395","10.1021/ja4024463","","","0.71073","MoKα","","0.066","0.0569","","","0.1526","0.1582","","","","","","1.039","","","","has coordinates,has disorder","178977","2020-10-21","18:00:00",""
"4120100","9.6611","0.0004","20.3319","0.0007","13.6276","0.0005","90","","90","","90","","2676.85","0.17","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","[Cu(bcppm)H2O]-pdes","","","- C21 H16 Cu N4 O5 -","- C21 H16 Cu N4 O5 -","- C84 H64 Cu4 N16 O20 -","4","0.5","","Witold M. Bloch; Ravichandar Babarao; Matthew R. Hill; Christian J. Doonan; Christopher J. Sumby","Post-synthetic Structural Processing in a Metal-Organic Framework Material as a Mechanism for Exceptional CO2/N2 Selectivity","Journal of the American Chemical Society","2013","135","","10441","10448","10.1021/ja4032049","","","0.7107","MoKα","","0.057","0.0398","","","0.1119","0.1184","","","","","","1.109","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120101","9.9995","0.0003","19.259","0.0004","15.3449","0.0005","90","","90","","90","","2955.13","0.14","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H16 Cu N4 O5 -","- C21 H16 Cu N4 O5 -","- C84 H64 Cu4 N16 O20 -","4","0.5","","Witold M. Bloch; Ravichandar Babarao; Matthew R. Hill; Christian J. Doonan; Christopher J. Sumby","Post-synthetic Structural Processing in a Metal-Organic Framework Material as a Mechanism for Exceptional CO2/N2 Selectivity","Journal of the American Chemical Society","2013","135","","10441","10448","10.1021/ja4032049","","","0.7107","MoKα","","0.0592","0.0452","","","0.1304","0.1382","","","","","","1.062","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120102","8.8","0.003","20.734","0.002","13.11","0.005","90","","90","","90","","2392","1.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C21 H16 Cu N4 O5 -","- C21 H16 Cu N4 O5 -","- C84 H64 Cu4 N16 O20 -","4","0.5","","Witold M. Bloch; Ravichandar Babarao; Matthew R. Hill; Christian J. Doonan; Christopher J. Sumby","Post-synthetic Structural Processing in a Metal-Organic Framework Material as a Mechanism for Exceptional CO2/N2 Selectivity","Journal of the American Chemical Society","2013","135","","10441","10448","10.1021/ja4032049","","","0.7107","MoKα","","0.2551","0.1937","","","0.467","0.4948","","","","","","1.548","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120103","7.5545","0.0002","50.5515","0.0015","10.7005","0.0004","90","","90","","90","","4086.4","0.2","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H20 O -","- C30 H20 O -","- C240 H160 O8 -","8","1","","Jian Zhao; Kazuaki Oniwa; Naoki Asao; Yoshinori Yamamoto; Tienan Jin","Pd-Catalyzed Cascade Crossover Annulation of o-Alkynylarylhalides and Diarylacetylenes Leading to Dibenzo[a,e]pentalenes","Journal of the American Chemical Society","2013","135","","10222","10225","10.1021/ja403382d","","","0.71075","MoKα","","0.0899","0.0543","","","0.1241","0.1399","","","","","","1.079","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120104","15.9288","0.0006","15.9288","0.0006","21.3663","0.0011","90","","90","","120","","4694.9","0.3","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C25 H31 Co2 N3 O14 -","- C25 H31.014 Co2 N3 O14.007 -","- C150 H186.084 Co12 N18 O84.042 -","6","1","","Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak","Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10214","10217","10.1021/ja403449k","","","0.71073","MoKα","","0.0512","0.0436","","","0.1091","0.1146","","","","","","1.057","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120105","15.8831","0.0004","15.8831","0.0004","21.3791","0.0009","90","","90","","120","","4670.8","0.3","323","","323","","","","","","","","","5","P 61","P 61","169","","","","- C25 H21 Co2 N3 O9 -","- C25 H21 Co2 N3 O9 -","- C150 H126 Co12 N18 O54 -","6","1","","Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak","Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10214","10217","10.1021/ja403449k","","","0.71073","MoKα","","0.035","0.0307","","","0.068","0.0701","","","","","","1.085","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120106","15.6888","0.0007","15.6888","0.0007","21.7323","0.0017","90","","90","","120","","4632.5","0.5","400","","400","","","","","","","","","5","P 61","P 61","169","","","","- C25 H19 Co2 N3 O8 -","- C25 H19 Co2 N3 O8 -","- C150 H114 Co12 N18 O48 -","6","1","","Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak","Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10214","10217","10.1021/ja403449k","","","0.71073","MoKα","","0.0498","0.0451","","","0.1241","0.13","","","","","","1.019","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120107","15.9363","0.0006","15.9363","0.0006","21.338","0.0009","90","","90","","120","","4693.1","0.3","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C25 H31 Co2 N3 O14 -","- C25 H31.012 Co2 N3 O14.006 -","- C150 H186.072 Co12 N18 O84.036 -","6","1","","Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak","Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10214","10217","10.1021/ja403449k","","","0.71073","MoKα","","0.0741","0.0602","","","0.1526","0.1673","","","","","","1.075","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120108","14.633","0.003","13.019","0.002","12.519","0.002","90","","114.516","0.005","90","","2169.9","0.7","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 B N2 S2 -","- C25 H23 B N2 S2 -","- C100 H92 B4 N8 S8 -","4","1","","Xiangcheng Pan; Anne-Laure Vallet; Stéphane Schweizer; Karim Dahbi; Bernard Delpech; Nicolas Blanchard; Bernadette Graff; Steven J. Geib; Dennis P. Curran; Jacques Lalevée; Emmanuel Lacôte","Mechanistic and Preparative Studies of Radical Chain Homolytic Substitution Reactions of N-Heterocyclic Carbene Boranes and Disulfides","Journal of the American Chemical Society","2013","135","","10484","10491","10.1021/ja403627k","","","0.71073","MoKα","","0.1094","0.066","","0.0873","0.0658","0.0658","","","","","","1.1213","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120109","8.6258","0.0018","8.0293","0.0017","19.05","0.004","90","","96.216","0.008","90","","1311.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 B N3 S2 -","- C12 H14 B N3 S2 -","- C48 H56 B4 N12 S8 -","4","1","","Xiangcheng Pan; Anne-Laure Vallet; Stéphane Schweizer; Karim Dahbi; Bernard Delpech; Nicolas Blanchard; Bernadette Graff; Steven J. Geib; Dennis P. Curran; Jacques Lalevée; Emmanuel Lacôte","Mechanistic and Preparative Studies of Radical Chain Homolytic Substitution Reactions of N-Heterocyclic Carbene Boranes and Disulfides","Journal of the American Chemical Society","2013","135","","10484","10491","10.1021/ja403627k","","","1.54178","CuKα","","0.2463","0.0549","","","0.1792","0.2047","","","","","","1.772","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120110","16.3754","0.001","7.8232","0.0004","12.4708","0.0008","90","","112.055","0.004","90","","1480.7","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 B N6 S -","- C12 H15 B N6 S -","- C48 H60 B4 N24 S4 -","4","1","","Xiangcheng Pan; Anne-Laure Vallet; Stéphane Schweizer; Karim Dahbi; Bernard Delpech; Nicolas Blanchard; Bernadette Graff; Steven J. Geib; Dennis P. Curran; Jacques Lalevée; Emmanuel Lacôte","Mechanistic and Preparative Studies of Radical Chain Homolytic Substitution Reactions of N-Heterocyclic Carbene Boranes and Disulfides","Journal of the American Chemical Society","2013","135","","10484","10491","10.1021/ja403627k","","","1.54178","CuKα","","0.0625","0.0558","","","0.143","0.147","","","","","","1.563","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4120111","26.8178","0.0016","26.8178","0.0016","28.8539","0.0019","90","","90","","90","","20752","2","150","2","150","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cd6 In28 S56 -","- Cd6 In28 S56 -","- Cd24 In112 S224 -","4","0.125","","Tao Wu; Qian Zhang; Yang Hou; Le Wang; Chengyu Mao; Shou-Tian Zheng; Xianhui Bu; Pingyun Feng","Monocopper Doping in Cd-In-S Supertetrahedral Nanocluster via Two-Step Strategy and Enhanced Photoelectric Response","Journal of the American Chemical Society","2013","135","","10250","10253","10.1021/ja404181c","","","0.71073","MoKα","","0.1942","0.0808","","","0.2101","0.3204","","","","","","1.018","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120112","27.4878","0.0009","27.4878","0.0009","26.6357","0.0009","90","","90","","90","","20125.4","1.2","150","2","150","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Cd6 Cu0.4 In28 O4 S52 -","- Cd6 Cu0.4 In28 O4 S52 -","- Cd24 Cu1.6 In112 O16 S208 -","4","0.125","","Tao Wu; Qian Zhang; Yang Hou; Le Wang; Chengyu Mao; Shou-Tian Zheng; Xianhui Bu; Pingyun Feng","Monocopper Doping in Cd-In-S Supertetrahedral Nanocluster via Two-Step Strategy and Enhanced Photoelectric Response","Journal of the American Chemical Society","2013","135","","10250","10253","10.1021/ja404181c","","","0.71073","MoKα","","0.1305","0.0779","","","0.2095","0.2813","","","","","","1.132","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120113","27.5529","0.0015","27.5529","0.0015","26.6418","0.0014","90","","90","","90","","20225.5","1.9","150","2","150","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- Cd6 Cu In28 O4 S52 -","- Cd6 Cu In28 O4 S52 -","- Cd24 Cu4 In112 O16 S208 -","4","0.125","","Tao Wu; Qian Zhang; Yang Hou; Le Wang; Chengyu Mao; Shou-Tian Zheng; Xianhui Bu; Pingyun Feng","Monocopper Doping in Cd-In-S Supertetrahedral Nanocluster via Two-Step Strategy and Enhanced Photoelectric Response","Journal of the American Chemical Society","2013","135","","10250","10253","10.1021/ja404181c","","","0.71073","MoKα","","0.1666","0.0863","","","0.2274","0.3383","","","","","","1.124","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120114","19.6365","0.0012","19.6365","0.0012","48.175","0.003","90","","90","","90","","18576","2","150","2","150","2","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","","","- Cd6 In28 S54 -","- Cd6 In28 S54 -","- Cd24 In112 S216 -","4","0.125","","Tao Wu; Qian Zhang; Yang Hou; Le Wang; Chengyu Mao; Shou-Tian Zheng; Xianhui Bu; Pingyun Feng","Monocopper Doping in Cd-In-S Supertetrahedral Nanocluster via Two-Step Strategy and Enhanced Photoelectric Response","Journal of the American Chemical Society","2013","135","","10250","10253","10.1021/ja404181c","","","0.71073","MoKα","","0.1281","0.0616","","","0.1643","0.2168","","","","","","1.006","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120115","8.6694","0.0003","21.5135","0.0007","20.3017","0.0007","90","","101.402","0.001","90","","3711.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H47 Cl2 N2 O3 Ru -","- C41 H47 Cl2 N2 O3 Ru -","- C164 H188 Cl8 N8 O12 Ru4 -","4","1","","R. Kashif M. Khan; Sebastian Torker; Amir H. Hoveyda","Readily Accessible and Easily Modifiable Ru-Based Catalysts for Efficient and Z-Selective Ring-Opening Metathesis Polymerization and Ring-Opening/Cross-Metathesis","Journal of the American Chemical Society","2013","135","","10258","10261","10.1021/ja404208a","","","1.54178","CuKα","","0.0277","0.0277","","","0.0699","0.07","","","","","","1.109","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120116","12.303","0.0008","16.4866","0.0011","17.9428","0.0013","90","","90","","90","","3639.4","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 Cl2 N2 O Ru S2 -","- C38 H44 Cl2 N2 O Ru S2 -","- C152 H176 Cl8 N8 O4 Ru4 S8 -","4","1","","R. Kashif M. Khan; Sebastian Torker; Amir H. Hoveyda","Readily Accessible and Easily Modifiable Ru-Based Catalysts for Efficient and Z-Selective Ring-Opening Metathesis Polymerization and Ring-Opening/Cross-Metathesis","Journal of the American Chemical Society","2013","135","","10258","10261","10.1021/ja404208a","","","1.54178","CuKα","","0.0283","0.0276","","","0.0689","0.0694","","","","","","1.045","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120117","13.6373","0.0001","13.6373","","44.7311","0.0004","90","","90","","120","","7204.39","0.08","","","","","","","","","","","","7","R -3 m :H","-R 3 2""","166","","","","- C14 H34 Al2 N Na O54 Si16 -","- C13.521 H27.54 N Na O39 Si18 -","- C81.126 H165.24 N6 Na6 O234 Si108 -","6","0.166667","","Dan Xie; Lynne B. McCusker; Christian Baerlocher; Stacey I. Zones; Wei Wan; Xiaodong Zou","SSZ-52, a Zeolite with an 18-Layer Aluminosilicate Framework Structure Related to That of the DeNOx Catalyst Cu-SSZ-13","Journal of the American Chemical Society","2013","135","","10519","10524","10.1021/ja4043615","powder diffraction","","","","","","0.059","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120118","18.1997","0.0008","18.1997","0.0008","20.0204","0.001","90","","90","","120","","5742.9","0.5","296","2","296","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C63 H51 Co2 In3 N6 O37 -","- C63 H51 Co2 In3 N6 O37 -","- C126 H102 Co4 In6 N12 O74 -","2","0.166667","","Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu","Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites","Journal of the American Chemical Society","2013","135","","10270","10273","10.1021/ja4044642","","","0.71073","MoKα","","0.0567","0.038","","","0.0979","0.1039","","","","","","0.943","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120119","20.8131","0.001","20.8131","0.001","23.185","0.002","90","","90","","120","","8697.8","1","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C42 H24 In3 N0 O16 -","- C42 H24 In3 O16 -","- C84 H48 In6 O32 -","2","0.166667","","Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu","Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites","Journal of the American Chemical Society","2013","135","","10270","10273","10.1021/ja4044642","","","0.71073","MoKα","","0.0481","0.0296","","","0.0659","0.0682","","","","","","0.883","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120120","18.7843","0.0008","18.7843","0.0008","25.0267","0.0011","90","","90","","120","","7647.6","0.6","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C60 H38 In3 N3 O20 Zn -","- C60 H36 In3 N3 O20 Zn -","- C120 H72 In6 N6 O40 Zn2 -","2","0.166667","","Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu","Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites","Journal of the American Chemical Society","2013","135","","10270","10273","10.1021/ja4044642","","","0.71073","MoKα","","0.0704","0.0381","","","0.0914","0.0971","","","","","","0.876","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120121","18.8658","0.0004","18.8658","0.0004","24.6975","0.0013","90","","90","","120","","7612.6","0.5","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C60 H36 Co2 In3 N3 O22 -","- C60 H36 Co2 In3 N3 O21.98 -","- C120 H72 Co4 In6 N6 O43.96 -","2","0.166667","","Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu","Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites","Journal of the American Chemical Society","2013","135","","10270","10273","10.1021/ja4044642","","","0.71073","MoKα","","0.0713","0.0576","","","0.1697","0.175","","","","","","1.02","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120122","9.6582","0.0006","14.7827","0.0009","12.9177","0.0008","90","","105.749","0.003","90","","1775.08","0.19","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H50 N2 O4 Ru -","- C41 H50 N2 O4 Ru -","- C82 H100 N4 O8 Ru2 -","2","1","","John Hartung; Robert H. Grubbs","Highly Z-Selective and Enantioselective Ring-Opening/Cross-Metathesis Catalyzed by a Resolved Stereogenic-at-Ru Complex","Journal of the American Chemical Society","2013","135","","10183","10185","10.1021/ja4046422","","","0.71073","MoKα","","0.0303","0.0252","","","0.0534","0.0547","","","","","","1.242","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120123","6.8772","0.0003","15.793","0.001","20.9413","0.0012","90","","90","","90","","2274.5","0.2","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br N2 O6 -","- C25 H21 Br N2 O6 -","- C100 H84 Br4 N8 O24 -","4","1","","John Hartung; Robert H. Grubbs","Highly Z-Selective and Enantioselective Ring-Opening/Cross-Metathesis Catalyzed by a Resolved Stereogenic-at-Ru Complex","Journal of the American Chemical Society","2013","135","","10183","10185","10.1021/ja4046422","","","0.71073","MoKα","","0.0789","0.0434","","","0.0558","0.0614","","","","","","1.043","","","","has coordinates,has Fobs","178978","2020-10-21","18:00:00",""
"4120124","13.1029","0.0011","13.4322","0.001","17.4919","0.0012","75.37","0.003","84.383","0.004","70.341","0.003","2804.9","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H64 B F N P3 Ru Si -","- C67 H64 B F N P3 Ru Si -","- C134 H128 B2 F2 N2 P6 Ru2 Si2 -","2","1","","Mark C. Lipke; T. Don Tilley","Silane-Isocyanide Coupling Involving 1,1-Insertion of XylNC into the Si-H Bond of a σ-Silane Ligand","Journal of the American Chemical Society","2013","135","","10298","10301","10.1021/ja404910h","","","0.71073","MoKα","","0.0632","0.0455","","","0.1049","0.1149","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120125","12.1477","0.0015","13.1112","0.0015","20.504","0.002","81.192","0.006","81.26","0.007","62.614","0.006","2853.1","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H60 B N P3 Ru Si -","- C66 H60 B N P3 Ru Si -","- C132 H120 B2 N2 P6 Ru2 Si2 -","2","1","","Mark C. Lipke; T. Don Tilley","Silane-Isocyanide Coupling Involving 1,1-Insertion of XylNC into the Si-H Bond of a σ-Silane Ligand","Journal of the American Chemical Society","2013","135","","10298","10301","10.1021/ja404910h","","","0.71073","MoKα","","0.2493","0.0978","","","0.1848","0.234","","","","","","0.838","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120126","17.261","0.005","13.944","0.004","20.315","0.005","90","","107.815","0.004","90","","4655","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4","","","- C49 H50 B O P3 Ru -","- C49 H50 B O P3 Ru -","- C196 H200 B4 O4 P12 Ru4 -","4","1","","Mark C. Lipke; T. Don Tilley","Silane-Isocyanide Coupling Involving 1,1-Insertion of XylNC into the Si-H Bond of a σ-Silane Ligand","Journal of the American Chemical Society","2013","135","","10298","10301","10.1021/ja404910h","","","0.71073","MoKα","","0.2072","0.1084","","","0.2887","0.3209","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120127","39.3875","0.0007","39.3875","0.0007","16.4829","0.0003","90","","90","","120","","22145.3","0.7","100","2","99.99","","","","","","","","","4","P 6/m m m","-P 6 2","191","","","","- C88 H44 O32 Zr6 -","- C88 H44 O32 Zr6 -","- C264 H132 O96 Zr18 -","3","0.125","","Joseph E. Mondloch; Wojciech Bury; David Fairen-Jimenez; Stephanie Kwon; Erica J. DeMarco; Mitchell H. Weston; Amy A. Sarjeant; SonBinh T. Nguyen; Peter C. Stair; Randall Q. Snurr; Omar K. Farha; Joseph T. Hupp","Vapor-Phase Metalation by Atomic Layer Deposition in a Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","10294","10297","10.1021/ja4050828","","","1.54178","CuKα","","0.1317","0.1216","","","0.3707","0.3858","","","","","","1.737","","","","has coordinates,has disorder,has Fobs","178978","2020-10-21","18:00:00",""
"4120128","11.182","0.007","11.741","0.008","11.941","0.007","90","","95.487","0.011","90","","1560.5","1.7","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N4 S5 -","- C16 H8 N4 S5 -","- C64 H32 N16 S20 -","4","1","","Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi","Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene","Journal of the American Chemical Society","2013","135","","10322","10325","10.1021/ja4055228","","","0.71075","MoKα","","","0.1195","","","","0.2798","","","","","","0.847","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120129","11.3154","0.0018","11.9773","0.0019","12.598","0.002","90","","94.3205","0.0009","90","","1702.5","0.5","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,4,5-Tetra(2-thiazolyl)thiophene","","- C16 H8 N4 S5 -","- C16 H8 N4 S5 -","- C64 H32 N16 S20 -","4","1","","Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi","Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene","Journal of the American Chemical Society","2013","135","","10322","10325","10.1021/ja4055228","","","0.7107","MoKα","","0.0341","0.0306","","","0.0847","0.0871","","","","","","1.075","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120130","11.4024","0.0019","18.039","0.003","10.8795","0.0018","90","","108.484","0.0017","90","","2122.3","0.6","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3,4,5-Tetra[2-(5-methyl)thiazolyl]thiophene","","- C20 H16 N4 S5 -","- C20 H16 N4 S5 -","- C80 H64 N16 S20 -","4","0.5","","Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi","Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene","Journal of the American Chemical Society","2013","135","","10322","10325","10.1021/ja4055228","","","0.7107","MoKα","","0.028","0.0258","","","0.0719","0.073","","","","","","1.086","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120131","7.6074","0.001","10.3355","0.0013","21.95","0.003","90","","93.88","0.003","90","","1721.9","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-Di(2-thiazolyl)-3,4-di(2-thienyl)thiophene","","- C18 H10 N2 S5 -","- C18 H10 N2 S5 -","- C72 H40 N8 S20 -","4","1","","Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi","Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene","Journal of the American Chemical Society","2013","135","","10322","10325","10.1021/ja4055228","","","0.7107","MoKα","","0.0262","0.0245","","","0.0599","0.0612","","","","","","1.032","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120132","11.7818","0.0015","7.7825","0.0009","19.417","0.002","90","","104.338","0.0005","90","","1724.9","0.3","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2,5-Di(2-thienyl)-3,4-di(2-thiazolyl)thiophene","","- C18 H10 N2 S5 -","- C18 H10 N2 S5 -","- C72 H40 N8 S20 -","4","1","","Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi","Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene","Journal of the American Chemical Society","2013","135","","10322","10325","10.1021/ja4055228","","","0.7107","MoKα","","0.0249","0.0238","","","0.0583","0.0591","","","","","","1.081","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120133","11.4016","0.0005","12","0.0004","12.8329","0.0005","90","","93.455","0.007","90","","1752.6","0.12","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N4 S5 -","- C16 H8 N4 S5 -","- C64 H32 N16 S20 -","4","1","","Kazuhiko Nagura; Shohei Saito; Hitoshi Yusa; Hiroshi Yamawaki; Hiroshi Fujihisa; Hiroyasu Sato; Yuichi Shimoikeda; Shigehiro Yamaguchi","Distinct Responses to Mechanical Grinding and Hydrostatic Pressure in Luminescent Chromism of Tetrathiazolylthiophene","Journal of the American Chemical Society","2013","135","","10322","10325","10.1021/ja4055228","","","0.71075","MoKα","","","0.0442","","","","0.1202","","","","","","1.023","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120134","6.451","0.001","6.451","0.001","6.237","0.001","90","","90","","120","","224.78","0.06","298","","110","","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Na2 Sn5 Zn -","- Na1.9998 Sn4.9998 Zn1.0002 -","- Na1.9998 Sn4.9998 Zn1.0002 -","1","0.0833333","","Saskia Stegmaier; Sung-Jin Kim; Alexander Henze; Thomas F. Fässler","Tetrahedral Framework Structures: Polymorphic Phase Transition with Reorientation of Hexagonal Helical Channels in the Zintl Compound Na~2~ZnSn~5~ and its Relation to Na~5~Zn~2+<i>x</i>~Sn~10-<i>x</i>~","Journal of the American Chemical Society","2013","135","","10654","10663","10.1021/ja401043b","","x-ray","0.71073","MoKα","","0.0157","0.0157","","","0.0379","0.0379","","","","","","1.336","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120135","6.336","0.001","6.336","0.001","22.382","0.001","90","","90","","90","","898.5","0.2","298","","150","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Na2 Sn5 Zn -","- Na2 Sn5 Zn -","- Na8 Sn20 Zn4 -","4","0.25","","Saskia Stegmaier; Sung-Jin Kim; Alexander Henze; Thomas F. Fässler","Tetrahedral Framework Structures: Polymorphic Phase Transition with Reorientation of Hexagonal Helical Channels in the Zintl Compound Na~2~ZnSn~5~ and its Relation to Na~5~Zn~2+<i>x</i>~Sn~10-<i>x</i>~","Journal of the American Chemical Society","2013","135","","10654","10663","10.1021/ja401043b","","x-ray","0.71073","MoKα","","0.0355","0.0322","","","0.0768","0.0779","","","","","","1.057","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120136","12.3051","0.0002","13.6385","0.0002","21.0194","0.0003","95.7052","0.0014","91.0437","0.0014","96.0531","0.0015","3489.03","0.09","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H32 B2 F8 Fe N6 -","- C37 H32 B2.0005 F8.002 Fe N6 -","- C148 H128 B8.002 F32.008 Fe4 N24 -","4","2","","Sumit Sahu; Leland R. Widger; Matthew G. Quesne; Sam P. de Visser; Hirotoshi Matsumura; Pierre Moënne-Loccoz; Maxime A. Siegler; David P. Goldberg","Secondary Coordination Sphere Influence on the Reactivity of Nonheme Iron(II) Complexes: An Experimental and DFT Approach","Journal of the American Chemical Society","2013","135","","10590","10593","10.1021/ja402688t","","","0.71073","MoKα","","0.0394","0.0316","","","0.0782","0.0816","","","","","","1.031","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120137","11.9067","0.0003","12.4935","0.0004","13.4579","0.0004","91.551","0.002","112.033","0.002","104.801","0.002","1777.22","0.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H65 B4 F16 Fe2 N13 O2 -","- C76 H65 B4 F16 Fe2 N13 O2 -","- C76 H65 B4 F16 Fe2 N13 O2 -","1","0.5","","Sumit Sahu; Leland R. Widger; Matthew G. Quesne; Sam P. de Visser; Hirotoshi Matsumura; Pierre Moënne-Loccoz; Maxime A. Siegler; David P. Goldberg","Secondary Coordination Sphere Influence on the Reactivity of Nonheme Iron(II) Complexes: An Experimental and DFT Approach","Journal of the American Chemical Society","2013","135","","10590","10593","10.1021/ja402688t","","","0.71073","MoKα","","0.0429","0.0358","","","0.0963","0.0997","","","","","","1.082","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120138","12.3252","0.0002","19.1467","0.0003","19.6009","0.0003","99.8107","0.0013","102.035","0.0013","94.2364","0.0013","4428.92","0.13","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H84 B4 F16 Fe2 N12 O3 -","- C84 H84 B4 F16 Fe2 N12 O3 -","- C168 H168 B8 F32 Fe4 N24 O6 -","2","1","","Sumit Sahu; Leland R. Widger; Matthew G. Quesne; Sam P. de Visser; Hirotoshi Matsumura; Pierre Moënne-Loccoz; Maxime A. Siegler; David P. Goldberg","Secondary Coordination Sphere Influence on the Reactivity of Nonheme Iron(II) Complexes: An Experimental and DFT Approach","Journal of the American Chemical Society","2013","135","","10590","10593","10.1021/ja402688t","","","0.71073","MoKα","","0.0633","0.0446","","","0.1168","0.1242","","","","","","1.059","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120139","10.9586","0.0004","14.3029","0.0006","14.179","0.0006","90","","92.126","0.002","90","","2220.88","0.16","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Al Cl2 Si Zr -","- C22 H24 Al Cl2 Si Zr -","- C88 H96 Al4 Cl8 Si4 Zr4 -","4","1","","Taylor N. Lenton; John E. Bercaw; Valentina N. Panchenko; Vladimir A. Zakharov; Dmitrii E. Babushkin; Igor E. Soshnikov; Evgenii P. Talsi; Hans H. Brintzinger","Formation of Trivalent Zirconocene Complexes fromansa-Zirconocene-Based Olefin-Polymerization Precatalysts: An EPR- and NMR-Spectroscopic Study","Journal of the American Chemical Society","2013","135","","10710","10719","10.1021/ja403170u","","","0.71073","MoKα","","0.0846","0.0388","","","0.079","0.0952","","","","","","1.026","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120140","15.4038","0.0003","17.0341","0.0003","24.8449","0.0005","90","","104.221","0.001","90","","6319.3","0.2","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H100 N2 V -","- C72 H100 N2 V -","- C288 H400 N8 V4 -","4","1","","Jessica N. Boynton; Jing-Dong Guo; James C. Fettinger; Christopher E. Melton; Shigeru Nagase; Philip P. Power","Linear and Nonlinear Two-Coordinate Vanadium Complexes: Synthesis, Characterization, and Magnetic Properties of V(II) Amides","Journal of the American Chemical Society","2013","135","","10720","10728","10.1021/ja403244w","","","1.54178","CuKα","","0.0435","0.0409","","","0.1178","0.1202","","","","","","1.043","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120141","14.5715","0.0007","31.4168","0.0012","15.86","0.0006","90","","92.892","0.001","90","","7251.3","0.5","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C86 H116 N2 V -","- C86 H116 N2 V -","- C344 H464 N8 V4 -","4","0.5","","Jessica N. Boynton; Jing-Dong Guo; James C. Fettinger; Christopher E. Melton; Shigeru Nagase; Philip P. Power","Linear and Nonlinear Two-Coordinate Vanadium Complexes: Synthesis, Characterization, and Magnetic Properties of V(II) Amides","Journal of the American Chemical Society","2013","135","","10720","10728","10.1021/ja403244w","","","1.54178","CuKα","","0.0425","0.0412","","","0.1045","0.1051","","","","","","1.036","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120142","12.6799","0.0006","20.8049","0.0011","15.952","0.0008","90","","107.291","0.002","90","","4018","0.4","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H104 Li2 N4 O4 V2 -","- C96 H104 Li2 N4 O4 V2 -","- C192 H208 Li4 N8 O8 V4 -","2","0.5","","Jessica N. Boynton; Jing-Dong Guo; James C. Fettinger; Christopher E. Melton; Shigeru Nagase; Philip P. Power","Linear and Nonlinear Two-Coordinate Vanadium Complexes: Synthesis, Characterization, and Magnetic Properties of V(II) Amides","Journal of the American Chemical Society","2013","135","","10720","10728","10.1021/ja403244w","","","1.54178","CuKα","","0.0771","0.0653","","","0.1752","0.1832","","","","","","1.065","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120143","9.3263","0.0004","11.5802","0.0006","18.5814","0.0008","76.054","0.002","84.829","0.002","83.592","0.002","1931.31","0.16","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H52 N2 V -","- C48 H52 N2 V -","- C96 H104 N4 V2 -","2","1","","Jessica N. Boynton; Jing-Dong Guo; James C. Fettinger; Christopher E. Melton; Shigeru Nagase; Philip P. Power","Linear and Nonlinear Two-Coordinate Vanadium Complexes: Synthesis, Characterization, and Magnetic Properties of V(II) Amides","Journal of the American Chemical Society","2013","135","","10720","10728","10.1021/ja403244w","","","1.54178","CuKα","","0.0533","0.0525","","","0.1548","0.1557","","","","","","1.049","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120144","9.3166","0.0002","23.0618","0.0006","23.8529","0.0007","90","","90","","90","","5125","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H40 Cl6 F3 Ir N6 O5 -","- C53 H40 Cl6 F3 Ir N6 O5 -","- C212 H160 Cl24 F12 Ir4 N24 O20 -","4","1","","Liang-An Chen; Weici Xu; Biao Huang; Jiajia Ma; Lun Wang; Jianwei Xi; Klaus Harms; Lei Gong; Eric Meggers","Asymmetric Catalysis with an Inert Chiral-at-Metal Iridium Complex","Journal of the American Chemical Society","2013","135","","10598","10601","10.1021/ja403777k","","","0.71073","MoKα","","0.0291","0.0263","","","0.0583","0.0599","","","","","","1.037","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120145","8.7931","0.0018","10.932","0.002","12.43","0.003","75.32","0.03","85.39","0.03","72.16","0.03","1100.3","0.5","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H35 Ir N3 O5.5 S -","- C40 H35 Ir N3 O5.5 S -","- C40 H35 Ir N3 O5.5 S -","1","1","","Liang-An Chen; Weici Xu; Biao Huang; Jiajia Ma; Lun Wang; Jianwei Xi; Klaus Harms; Lei Gong; Eric Meggers","Asymmetric Catalysis with an Inert Chiral-at-Metal Iridium Complex","Journal of the American Chemical Society","2013","135","","10598","10601","10.1021/ja403777k","","","0.71073","MoKα","","0.0372","0.0372","","","0.1017","0.1017","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120146","15.3783","0.0016","17.703","0.0019","20.58","0.002","80.765","0.002","82.54","0.002","72.642","0.001","5258.3","0.9","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H77 N O Si6 -","- C47 H77 N O Si6 -","- C188 H308 N4 O4 Si24 -","4","2","","Takeaki Iwamoto; Nobuyoshi Ohnishi; Naohiko Akasaka; Koichi Ohno; Shintaro Ishida","Anthryl-Substituted 3-Silylene-2-silaaziridine Obtained by Isomerization of Disilacyclopropanimine: An Exocyclic Silene Showing a Distinct Intramolecular Charge Transfer Transition","Journal of the American Chemical Society","2013","135","","10606","10609","10.1021/ja404045f","","","0.71073","MoKα","","0.0859","0.0508","","","0.122","0.133","","","","","","1","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120147","11.687","0.002","20.969","0.004","21.104","0.005","108.521","0.004","106.022","0.003","103.615","0.003","4407.4","1.6","273","","273","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H65 N Si6 -","- C39 H65 N Si6 -","- C156 H260 N4 Si24 -","4","2","","Takeaki Iwamoto; Nobuyoshi Ohnishi; Naohiko Akasaka; Koichi Ohno; Shintaro Ishida","Anthryl-Substituted 3-Silylene-2-silaaziridine Obtained by Isomerization of Disilacyclopropanimine: An Exocyclic Silene Showing a Distinct Intramolecular Charge Transfer Transition","Journal of the American Chemical Society","2013","135","","10606","10609","10.1021/ja404045f","","","0.71073","MoKα","","0.1008","0.0644","","","0.1542","0.1685","","","","","","1.066","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120148","10.948","0.004","19.788","0.007","22.493","0.008","79.389","0.005","83.371","0.005","85.483","0.005","4749","3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C43 H67 N Si6 -","- C43 H67 N Si6 -","- C172 H268 N4 Si24 -","4","2","","Takeaki Iwamoto; Nobuyoshi Ohnishi; Naohiko Akasaka; Koichi Ohno; Shintaro Ishida","Anthryl-Substituted 3-Silylene-2-silaaziridine Obtained by Isomerization of Disilacyclopropanimine: An Exocyclic Silene Showing a Distinct Intramolecular Charge Transfer Transition","Journal of the American Chemical Society","2013","135","","10606","10609","10.1021/ja404045f","","","0.71073","MoKα","","0.1509","0.0899","","","0.1941","0.2267","","","","","","1.029","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120149","11.348","0.005","11.504","0.005","18.296","0.008","95.759","0.007","98.683","0.007","96.673","0.007","2328.2","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H67 N Si6 -","- C43 H67 N Si6 -","- C86 H134 N2 Si12 -","2","1","","Takeaki Iwamoto; Nobuyoshi Ohnishi; Naohiko Akasaka; Koichi Ohno; Shintaro Ishida","Anthryl-Substituted 3-Silylene-2-silaaziridine Obtained by Isomerization of Disilacyclopropanimine: An Exocyclic Silene Showing a Distinct Intramolecular Charge Transfer Transition","Journal of the American Chemical Society","2013","135","","10606","10609","10.1021/ja404045f","","","0.71073","MoKα","","0.0991","0.0586","","","0.1208","0.1325","","","","","","0.996","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120150","11.411","0.003","20.987","0.005","21.578","0.005","90","","105.273","0.003","90","","4985","2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H67 N Si6 -","- C43 H67 N Si6 -","- C172 H268 N4 Si24 -","4","1","","Takeaki Iwamoto; Nobuyoshi Ohnishi; Naohiko Akasaka; Koichi Ohno; Shintaro Ishida","Anthryl-Substituted 3-Silylene-2-silaaziridine Obtained by Isomerization of Disilacyclopropanimine: An Exocyclic Silene Showing a Distinct Intramolecular Charge Transfer Transition","Journal of the American Chemical Society","2013","135","","10606","10609","10.1021/ja404045f","","","0.71073","MoKα","","0.0859","0.0523","","","0.118","0.1299","","","","","","0.947","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120151","13.188","0.0006","13.2245","0.0006","13.4292","0.0006","69.655","0.003","72.573","0.003","69.561","0.003","2015.04","0.17","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H114 N6 W -","- C90 H114 N6 W -","- C90 H114 N6 W -","1","0.5","","Wesley Sattler; Maraia E. Ener; James D. Blakemore; Aaron A. Rachford; Paul J. LaBeaume; James W. Thackeray; James F. Cameron; Jay R. Winkler; Harry B. Gray","Generation of Powerful Tungsten Reductants by Visible Light Excitation","Journal of the American Chemical Society","2013","135","","10614","10617","10.1021/ja4047119","","","0.71073","MoKα","","0.0497","0.0484","","","0.1186","0.1196","","","","","","1.056","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120152","11.7903","0.0009","12.3315","0.001","15.2801","0.0012","112.244","0.002","93.709","0.003","90.497","0.002","2050.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H35 N4 S8 -","- C42 H32 N4 S8 -","- C84 H64 N8 S16 -","2","1","","Nathan L. Bill; Masatoshi Ishida; Steffen Bähring; Jong Min Lim; Sangsu Lee; Christina M. Davis; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Kei Ohkubo; Shunichi Fukuzumi; Dongho Kim; Jonathan L. Sessler","Porphyrins Fused with Strongly Electron-Donating 1,3-Dithiol-2-ylidene Moieties: Redox Control by Metal Cation Complexation and Anion Binding","Journal of the American Chemical Society","2013","135","","10852","10862","10.1021/ja404830y","","","0.71073","MoKα","","0.0739","0.0632","","","0.1628","0.1701","","","","","","1.111","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120153","11.954","0.002","12.065","0.002","14.235","0.003","106.316","0.004","94.255","0.004","90.783","0.005","1963.7","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 Cu N4 S8 -","- C42 H30 Cu N4 S8 -","- C84 H60 Cu2 N8 S16 -","2","1","","Nathan L. Bill; Masatoshi Ishida; Steffen Bähring; Jong Min Lim; Sangsu Lee; Christina M. Davis; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Kei Ohkubo; Shunichi Fukuzumi; Dongho Kim; Jonathan L. Sessler","Porphyrins Fused with Strongly Electron-Donating 1,3-Dithiol-2-ylidene Moieties: Redox Control by Metal Cation Complexation and Anion Binding","Journal of the American Chemical Society","2013","135","","10852","10862","10.1021/ja404830y","","","0.71075","MoKα","","0.0645","0.0482","","","0.1187","0.1281","","","","","","1.191","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120154","6.813","0.002","14.693","0.005","27.16","0.01","90","","91.129","0.008","90","","2718.3","1.6","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H40 Cu F6 N4 O6 S10 -","- C44 H30 Cu F6 N4 O6 S10 -","- C88 H60 Cu2 F12 N8 O12 S20 -","2","0.5","","Nathan L. Bill; Masatoshi Ishida; Steffen Bähring; Jong Min Lim; Sangsu Lee; Christina M. Davis; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Kei Ohkubo; Shunichi Fukuzumi; Dongho Kim; Jonathan L. Sessler","Porphyrins Fused with Strongly Electron-Donating 1,3-Dithiol-2-ylidene Moieties: Redox Control by Metal Cation Complexation and Anion Binding","Journal of the American Chemical Society","2013","135","","10852","10862","10.1021/ja404830y","","","0.71075","MoKα","","0.1759","0.1178","","","0.3102","0.3374","","","","","","1.074","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120155","12.755","0.002","13.918","0.002","16.006","0.003","113.127","0.003","96.24","0.004","93.01","0.003","2583.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 N4 O5 S8 Zn -","- C48 H44 N4 O3 S8 Zn -","- C96 H88 N8 O6 S16 Zn2 -","2","1","","Nathan L. Bill; Masatoshi Ishida; Steffen Bähring; Jong Min Lim; Sangsu Lee; Christina M. Davis; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Kei Ohkubo; Shunichi Fukuzumi; Dongho Kim; Jonathan L. Sessler","Porphyrins Fused with Strongly Electron-Donating 1,3-Dithiol-2-ylidene Moieties: Redox Control by Metal Cation Complexation and Anion Binding","Journal of the American Chemical Society","2013","135","","10852","10862","10.1021/ja404830y","","","0.71075","MoKα","","0.094","0.0747","","","0.1954","0.2182","","","","","","0.993","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120156","15.5587","0.0013","17.401","0.0015","24.074","0.002","90","","102.706","0.005","90","","6358.1","0.9","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H68 Cl3 N5 S8 Zn -","- C59 H68 Cl3 N5 S8 Zn -","- C236 H272 Cl12 N20 S32 Zn4 -","4","1","","Nathan L. Bill; Masatoshi Ishida; Steffen Bähring; Jong Min Lim; Sangsu Lee; Christina M. Davis; Vincent M. Lynch; Kent A. Nielsen; Jan O. Jeppesen; Kei Ohkubo; Shunichi Fukuzumi; Dongho Kim; Jonathan L. Sessler","Porphyrins Fused with Strongly Electron-Donating 1,3-Dithiol-2-ylidene Moieties: Redox Control by Metal Cation Complexation and Anion Binding","Journal of the American Chemical Society","2013","135","","10852","10862","10.1021/ja404830y","","","0.71073","MoKα","","0.22","0.2099","","","0.5358","0.5424","","","","","","1.249","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120157","16.7804","0.0002","9.29733","0.00011","13.69152","0.00018","90","","90","","90","","2136.05","0.05","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C120 H84 N4 O8 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","1.54184","CuKα","","0.0317","0.0297","","","0.0739","0.0753","","","","","","1.053","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120158","11.8817","0.0003","18.9488","0.0003","12.107","0.0003","90","","111.233","0.003","90","","2540.78","0.11","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 N2 O6 -","- C31 H24 N2 O6 -","- C124 H96 N8 O24 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","1.54184","CuKα","","0.0575","0.0494","","","0.1133","0.1178","","","","","","1.104","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120159","9.7088","0.0003","11.6094","0.0004","19.1012","0.0007","90","","98.573","0.003","90","","2128.9","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","0.71073","MoKα","","0.0727","0.0684","","","0.1665","0.1687","","","","","","1.129","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120160","5.4774","0.0004","16.6056","0.0012","23.5794","0.0018","90","","95.581","0.007","90","","2134.5","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N O2 -","- C30 H21 N O2 -","- C120 H84 N4 O8 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","1.54184","CuKα","","0.0841","0.0576","","","0.1343","0.161","","","","","","1.049","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120161","7.07237","0.00005","14.23564","0.00009","20.25493","0.00014","90","","90","","90","","2039.26","0.02","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O2 -","- C28 H25 N O2 -","- C112 H100 N4 O8 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","1.54184","CuKα","","0.0264","0.0251","","","0.063","0.0643","","","","","","1.033","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120162","7.67232","0.00018","11.2894","0.0003","22.5206","0.0005","90","","97.592","0.002","90","","1933.54","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H19 N O4 S -","- C24 H19 N O4 S -","- C96 H76 N4 O16 S4 -","4","2","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","1.54184","CuKα","","0.0591","0.0566","","","0.1428","0.1447","","","","","","1.035","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120163","11.0793","0.0003","8.2902","0.0002","21.2285","0.0006","90","","93.035","0.003","90","","1947.09","0.09","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N O4 S -","- C24 H19 N O4 S -","- C96 H76 N4 O16 S4 -","4","1","","Johnathon D. Dooley; Suresh Reddy Chidipudi; Hon Wai Lam","Catalyst-Controlled Divergent C-H Functionalization of Unsymmetrical 2-Aryl Cyclic 1,3-Dicarbonyl Compounds with Alkynes and Alkenes","Journal of the American Chemical Society","2013","135","","10829","10836","10.1021/ja404867k","","","0.71073","MoKα","","0.0558","0.0412","","","0.079","0.0846","","","","","","1.063","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120164","8.4853","0.0003","10.8613","0.0004","17.6979","0.0006","90","","90","","90","","1631.06","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O3 S -","- C19 H18 O3 S -","- C76 H72 O12 S4 -","4","1","","Wen-Bo Liu; Corey M. Reeves; Scott C. Virgil; Brian M. Stoltz","Construction of Vicinal Tertiary and All-Carbon Quaternary Stereocenters via Ir-Catalyzed Regio-, Diastereo-, and Enantioselective Allylic Alkylation and Applications in Sequential Pd Catalysis","Journal of the American Chemical Society","2013","135","","10626","10629","10.1021/ja4052075","","","0.71073","MoKα","","0.0694","0.0483","","","0.0806","0.0846","","","","","","1.546","","","","has coordinates,has disorder,has Fobs","178978","2020-10-21","18:00:00",""
"4120165","12.4072","0.0002","13.2641","0.0002","7.6196","0.0001","90","","96.37","0.001","90","","1246.22","0.03","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Tian-Jun Gong; Bin Xiao; Wan-Min Cheng; Wei Su; Jun Xu; Zhao-Jing Liu; Lei Liu; Yao Fu","Rhodium-Catalyzed Directed C-H Cyanation of Arenes with N-Cyano-N-phenyl-p-toluenesulfonamide","Journal of the American Chemical Society","2013","135","","10630","10633","10.1021/ja405742y","","","1.54184","CuKα","","0.0444","0.0397","","","0.1056","0.1102","","","","","","1.042","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120166","9.905","0.0003","11.2173","0.0003","18.9185","0.0006","90","","90","","90","","2101.98","0.11","100","2","99.97","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 B F4 N3 O -","- C22 H24 B F4 N3 O -","- C88 H96 B4 F16 N12 O4 -","4","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.0264","0.0247","","","0.0612","0.0624","","","","","","1.022","","","","has coordinates,has disorder","178978","2020-10-21","18:00:00",""
"4120167","5.9141","0.0003","12.8128","0.0006","17.2988","0.0008","90","","90","","90","","1310.84","0.11","100","2","99.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 O2 -","- C17 H16 O2 -","- C68 H64 O8 -","4","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.0237","0.0218","","","0.0645","0.0781","","","","","","1.233","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120168","6.8419","0.0003","8.842","0.0003","22.3994","0.0007","90","","90","","90","","1355.08","0.09","100","2","100.04","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C64 H52 Br4 O8 -","4","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.041","0.0333","","","0.0737","0.0768","","","","","","1.015","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120169","7.3733","0.0003","6.0822","0.0003","9.3401","0.0004","90","","100.71","0.002","90","","411.57","0.03","100","2","99.99","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H10 O2 -","- C10 H10 O2 -","- C20 H20 O4 -","2","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.0248","0.0244","","","0.0638","0.067","","","","","","1.099","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120170","7.6908","0.0004","8.6402","0.0004","14.6823","0.0007","106.878","0.002","91.715","0.002","99.131","0.002","918.8","0.08","100","2","99.99","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 Cl N2 O -","- C20 H25 Cl N2 O -","- C40 H50 Cl2 N4 O2 -","2","1","","Javier Izquierdo; Ane Orue; Karl A. Scheidt","A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations","Journal of the American Chemical Society","2013","135","","10634","10637","10.1021/ja405833m","","","1.54178","CuKα","","0.0279","0.0276","","","0.0704","0.0708","","","","","","1.042","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120171","8.6386","0.0005","8.6386","0.0005","21.963","0.002","90","","90","","120","","1419.41","0.17","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.4 Ba2 Zn2.6 -","- Au6.402 Ba2 Zn2.598 -","- Au38.412 Ba12 Zn15.588 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0359","0.0311","","","0.0726","0.0746","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120172","8.6645","0.0012","8.6645","0.0012","22.325","0.005","90","","90","","120","","1451.5","0.4","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au7.97 Ba2 Zn1.03 -","- Au7.968 Ba2 Zn1.032 -","- Au47.808 Ba12 Zn6.192 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0517","0.0351","","","0.0716","0.0771","","","","","","1.038","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120173","8.8112","0.0005","8.8112","0.0005","22.308","0.003","90","","90","","120","","1499.9","0.2","273","2","273","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au8.06 Ba2 Sn0.94 -","- Au8.058 Ba2 Sn0.942 -","- Au48.348 Ba12 Sn5.652 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0299","0.0227","","","0.0471","0.0492","","","","","","1.065","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120174","8.6747","0.0005","8.6747","0.0005","22.004","0.005","90","","90","","120","","1434","0.3","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au7.11 Ba2 Zn1.89 -","- Au7.113 Ba2 Zn1.887 -","- Au42.678 Ba12 Zn11.322 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.031","0.0231","","","0.0392","0.0408","","","","","","1.07","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120175","8.6762","0.0006","8.6762","0.0006","22.238","0.002","90","","90","","120","","1449.72","0.19","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au7.89 Ba2 Zn1.11 -","- Au7.89 Ba2 Zn1.11 -","- Au47.34 Ba12 Zn6.66 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0561","0.0411","","","0.0774","0.0821","","","","","","1.112","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120176","8.8352","0.0004","8.8352","0.0004","22.51","0.001","90","","90","","120","","1521.73","0.12","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.94 Ba2 Cd2.06 -","- Au6.945 Ba2 Cd2.055 -","- Au41.67 Ba12 Cd12.33 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0284","0.0205","","","0.0426","0.044","","","","","","1.018","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120177","8.7186","0.0008","8.7186","0.0008","21.816","0.002","90","","90","","120","","1436.1","0.2","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.81 Ba2 Ga2.19 -","- Au6.81 Ba2 Ga2.19 -","- Au40.86 Ba12 Ga13.14 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0299","0.0225","","","0.0443","0.0455","","","","","","0.941","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120178","8.8478","0.0008","8.8478","0.0008","22.487","0.003","90","","90","","120","","1524.5","0.3","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.97 Ba2 In2.03 -","- Au6.969 Ba2 In2.031 -","- Au41.814 Ba12 In12.186 -","6","0.166667","","Qisheng Lin; Trinath Mishra; John D. Corbett","Hexagonal-Diamond-like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T = Zn, Cd, Ga, In, or Sn)","Journal of the American Chemical Society","2013","135","","11023","11031","10.1021/ja401378q","","","0.71073","MoKα","","0.0328","0.0234","","","0.0412","0.0431","","","","","","0.976","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120179","7.998","0.0016","12.678","0.003","28.966","0.006","90","","93.78","0.03","90","","2930.7","1.1","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 B F4 I N P2 Rh -","- C24 H46 B F4 I N P2 Rh -","- C96 H184 B4 F16 I4 N4 P8 Rh4 -","4","1","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0419","0.0295","","","0.0597","0.0632","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120180","12.63","0.003","7.905","0.0016","28.775","0.006","90","","92.12","0.03","90","","2870.9","1.1","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 B Br F4 N P2 Rh -","- C24 H46 B Br F4 N P2 Rh -","- C96 H184 B4 Br4 F16 N4 P8 Rh4 -","4","1","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0659","0.0399","","","0.0807","0.0862","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4120181","12.6136","0.0002","7.8592","0.0001","28.6247","0.0005","90","","92.968","0.0009","90","","2833.84","0.08","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H46 B Cl F4 N P2 Rh -","- C24 H46 B Cl F4 N P2 Rh -","- C96 H184 B4 Cl4 F16 N4 P8 Rh4 -","4","1","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0902","0.0559","","","0.137","0.1599","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120182","13.3722","0.0002","21.6932","0.0003","13.9191","0.0003","90","","91.4252","0.0005","90","","4036.48","0.12","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C34 H57 B Cl2 F4 I N2 P2 Rh -","- C34 H57 B Cl2 F4 I N2 P2 Rh -","- C136 H228 B4 Cl8 F16 I4 N8 P8 Rh4 -","4","1","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0635","0.0381","","","0.0869","0.0952","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120183","7.8269","0.0002","11.2717","0.0003","30.4115","0.0008","87.5844","0.001","87.4471","0.0012","74.2329","0.0011","2578.21","0.12","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H38 B F4 I N P2 Rh -","- C20 H38 B F4 I N P2 Rh -","- C80 H152 B4 F16 I4 N4 P8 Rh4 -","4","2","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0772","0.067","","","0.1413","0.144","","","","","","1.329","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120184","7.7491","0.0006","11.2556","0.0007","30.108","0.002","87.191","0.003","87.508","0.004","73.93","0.003","2519.2","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H38 B Br F4 N P2 Rh -","- C20 H38 B Br F4 N P2 Rh -","- C80 H152 B4 Br4 F16 N4 P8 Rh4 -","4","2","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0439","0.0332","","","0.0654","0.0684","","","","","","1.093","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120185","7.7456","0.0003","29.8765","0.001","11.2637","0.0004","90","","106.398","0.002","90","","2500.52","0.16","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C20 H38 B Cl F4 N P2 Rh -","- C20 H38 B Cl F4 N P2 Rh -","- C80 H152 B4 Cl4 F16 N4 P8 Rh4 -","4","2","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0299","0.0271","","","0.064","0.065","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120186","15.3625","0.0004","11.9931","0.0003","15.2949","0.0004","90","","104.103","0.0015","90","","2733.06","0.12","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 B F4 I N O P2 Rh -","- C21 H38 B F4 I N O P2 Rh -","- C84 H152 B4 F16 I4 N4 O4 P8 Rh4 -","4","1","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0745","0.0546","","","0.1193","0.1249","","","","","","1.104","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4120187","14.1006","0.0003","11.7405","0.0003","16.5928","0.0003","90","","113.672","0.0011","90","","2515.78","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 I2 N P2 Rh -","- C20 H38 I2 N P2 Rh -","- C80 H152 I8 N4 P8 Rh4 -","4","1","","Moran Feller; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Direct Observation of Reductive Elimination of MeX (X = Cl, Br, I) from RhIII Complexes: Mechanistic Insight and the Importance of Sterics","Journal of the American Chemical Society","2013","135","","11040","11047","10.1021/ja401852c","","","0.71073","MoKα","","0.0732","0.0577","","","0.1411","0.1544","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120188","13.314","0.0007","13.6374","0.0006","22.7765","0.0012","99.1974","0.0018","91.652","0.002","95.523","0.005","4059.3","0.4","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H44 Cl2 F6 N8 O10 S3 -","- C30 H44 Cl2 F6 N8 O10 S3 -","- C120 H176 Cl8 F24 N32 O40 S12 -","4","2","","Naohiro Takemoto; Tetsuya Suehara; Heidie L. Frisco; Shin-ichi Sato; Takuhito Sezaki; Kosuke Kusamori; Yoshinori Kawazoe; Sun Min Park; Sayumi Yamazoe; Yoshiyuki Mizuhata; Rintaro Inoue; Gavin J. Miller; Steen U. Hansen; Gordon C. Jayson; John M. Gardiner; Toshiji Kanaya; Norihiro Tokitoh; Kazumitsu Ueda; Yoshinobu Takakura; Noriyuki Kioka; Makiya Nishikawa; Motonari Uesugi","Small-Molecule-Induced Clustering of Heparan Sulfate Promotes Cell Adhesion","Journal of the American Chemical Society","2013","135","","11032","11039","10.1021/ja4018682","","","0.71069","MoKα","","0.1712","0.0914","","","0.2132","0.2692","","","","","","1.024","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120189","9.5412","0.0002","15.319","0.0004","27.2286","0.0006","90","","90","","90","","3979.78","0.16","173","2","173","2","","","101","","","","","3","P b c a","-P 2ac 2ab","61","diphenyl(2,6-diisopropylphenyl)phosphine","diphenyl(2,6-diisopropylphenyl)phosphane(III)","","- C24 H27 P -","- C24 H27 P -","- C192 H216 P8 -","8","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.1024","0.0473","","","0.1071","0.1271","","","","","","0.994","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4120190","23.172","0.004","9.478","0.002","23.634","0.005","90","","97.907","0.013","90","","5141.2","1.8","173","2","173","2","","","101","","","","","3","P 1 21/n 1","-P 2yn","14","bis(2,6-diisopropylphenyl)phenylphosphine","bis(2,6-diisopropylphenyl)phenylphosphane(III)","","- C30 H39 P -","- C30 H39 P -","- C240 H312 P8 -","8","2","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0912","0.0501","","","0.1305","0.1605","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120191","8.651","0.004","9.19","0.004","14.84","0.007","80.043","0.005","80.584","0.005","67.536","0.005","1067.7","0.8","173","2","173","2","","","101","","","","","6","P -1","-P 1","2","DippPh2PCuCl complex","bis(mu2-Chloro)-bis( diphenyl(2,6-diisopropylphenyl)phosphane)-di-copper","","- C48 H54 Cl1.54 Cu1.54 O0.46 P2 -","- C48 H54 Cl1.542 Cu1.542 O0.458 P2 -","- C48 H54 Cl1.542 Cu1.542 O0.458 P2 -","1","0.5","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.1225","0.1007","","","0.2598","0.2697","","","","","","1.128","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4120192","8.267","0.003","27.892","0.01","9.275","0.002","90","","113.529","0.018","90","","1960.8","1.1","173","2","173","2","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","diphenyl(2,6-diisopropylphenyl)phosphine oxide","oxo-diphenyl(2,6-diisopropylphenyl)phosphane(V)","","- C24 H27 O P -","- C24 H27 O P -","- C96 H108 O4 P4 -","4","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0729","0.0459","","","0.0969","0.1093","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120193","8.98","0.003","14.34","0.006","16.412","0.005","90","","92.64","0.02","90","","2111.2","1.3","123","2","123","2","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","diphenyl(2,6-diisopropylphenyl)phosphine sulfide","sulfido-diphenyl(2,6-diisopropylphenyl)phosphane(V)","","- C24 H27 P S -","- C24 H27 P S -","- C96 H108 P4 S4 -","4","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0671","0.0457","","","0.1095","0.1227","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120194","8.993","0.002","14.346","0.005","16.535","0.005","90","","92.924","0.017","90","","2130.5","1.1","123","2","123","2","","","101","","","","","4","P 1 21/n 1","-P 2yn","14","diphenyl(2,6-diisopropylphenyl)phosphine selenide","seleno-diphenyl(2,6-diisopropylphenyl)phosphane(V)","","- C24 H27 P Se -","- C24 H27 P Se -","- C96 H108 P4 Se4 -","4","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0638","0.037","","","0.0724","0.082","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120195","20.561","0.003","9.232","0.003","14.145","0.006","90","","90","","90","","2685","1.5","173","2","173","2","","","101","","","","","4","P n a 21","P 2c -2n","33","bis(2,6-diisopropylphenyl)phenylphosphine oxide","oxo bis(2,6-diisopropylphenyl)phenylphosphane(V)","","- C30 H39 O P -","- C30 H39 O P -","- C120 H156 O4 P4 -","4","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0485","0.0363","","","0.0834","0.0895","","","","","","1.03","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120196","9.574","0.002","9.592","0.003","16.439","0.006","97.676","0.016","96.38","0.02","113.27","0.02","1352","0.8","173","2","173","2","","","101","","","","","4","P -1","-P 1","2","bis(2,6-diisopropylphenyl)phenylphosphine sulfide","sulfido bis(2,6-diisopropylphenyl)phenylphosphane(V)","","- C30 H39 P S -","- C30 H39 P S -","- C60 H78 P2 S2 -","2","1","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0648","0.0466","","","0.109","0.1169","","","","","","1.069","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120197","10.758","0.002","16.149","0.003","31.435","0.007","90","","94.595","0.011","90","","5443.7","1.9","173","2","173","2","","","101","","","","","4","C 1 c 1","C -2yc","9","bis(2,6-diisopropylphenyl)phenylphosphine selenide","seleno bis(2,6-diisopropylphenyl)phenylphosphane(V)","","- C30 H39 P Se -","- C30 H39 P Se -","- C240 H312 P8 Se8 -","8","2","","John P. Bullock; Alan M. Bond; René T. Boeré; Twyla M. Gietz; Tracey L. Roemmele; Sonja D. Seagrave; Jason D. Masuda; Masood Parvez","Synthesis, Characterization, and Electrochemical Studies of PPh3-n (dipp)n(dipp = 2,6-Diisopropylphenyl): Steric and Electronic Effects on the Chemical and Electrochemical Oxidation of a Homologous Series of Triarylphosphines and the Reactivities of the Corresponding Phosphoniumyl Radical Cations","Journal of the American Chemical Society","2013","135","","11205","11215","10.1021/ja403555d","","x-ray","0.71073","MoKα","","0.0707","0.0574","","","0.1332","0.1429","","","","","","1.003","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120198","21.9415","0.0003","8.3165","0.0001","16.4075","0.0002","90","","117.259","0.001","90","","2661.49","0.06","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","1","","Udayanga Wanninayake; Kevin D. Walker","A Bacterial Tyrosine Aminomutase Proceeds through Retention or Inversion of Stereochemistry To Catalyze Its Isomerization Reaction","Journal of the American Chemical Society","2013","135","","11193","11204","10.1021/ja403918w","","x-ray","1.54178","CuKα","","0.0451","0.036","","","0.0883","0.0943","","","","","","1.029","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120199","21.9423","0.0002","8.3189","0.0001","16.4072","0.0002","90","","117.262","0.001","90","","2662.23","0.06","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 D N O4 -","- C16 H12 D N O4 -","- C128 H96 D8 N8 O32 -","8","1","","Udayanga Wanninayake; Kevin D. Walker","A Bacterial Tyrosine Aminomutase Proceeds through Retention or Inversion of Stereochemistry To Catalyze Its Isomerization Reaction","Journal of the American Chemical Society","2013","135","","11193","11204","10.1021/ja403918w","","x-ray","1.54178","CuKα","","0.0351","0.0338","","","0.0847","0.0861","","","","","","1.05","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4120200","18.342","0.005","20.4","0.006","23.191","0.007","90","","113.17","0.004","90","","7978","4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C90 H98 Cl2 O8 P2 Pt -","- C90 H98 Cl2 O8 P2 Pt -","- C360 H392 Cl8 O32 P8 Pt4 -","4","2","","John R. Coombs; Fredrik Haeffner; Laura T. Kliman; James P. Morken","Scope and Mechanism of the Pt-Catalyzed Enantioselective Diboration of Monosubstituted Alkenes","Journal of the American Chemical Society","2013","135","","11222","11231","10.1021/ja4041016","","","0.71073","MoKα","","0.0607","0.0467","","","0.0782","0.0837","","","","","","1.006","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120201","14.0289","0.0014","21.112","0.002","15.0439","0.0015","90","","98.568","0.001","90","","4405.9","0.7","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2a","","","- C16 H24 B10 Co O S2 -","- C16 H24 B10 Co O S2 -","- C128 H192 B80 Co8 O8 S16 -","8","2","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.049","0.0358","","","0.0953","0.1","","","","","","0.974","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120202","7.942","0.003","11.222","0.004","14.595","0.006","93.069","0.005","95.311","0.005","104.603","0.006","1249.4","0.8","293","2","291","2","","","","","","","","6","P -1","-P 1","2","2b","","","- C21 H26 B10 Co O S2 -","- C21 H26 B10 Co O S2 -","- C42 H52 B20 Co2 O2 S4 -","2","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0853","0.0639","","","0.1368","0.1419","","","","","","1.048","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120203","19.797","0.004","23.085","0.002","23.685","0.003","90","","104.314","0.003","90","","10488","3","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3b","","","- C68 H98 B40 Co2 O7 S8 -","- C68 H98 B40 Co2 O7 S8 -","- C272 H392 B160 Co8 O28 S32 -","4","0.5","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0997","0.0643","","","0.1202","0.1286","","","","","","1.035","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120204","13.1554","0.001","22.5085","0.0017","33.078","0.003","90","","90","","90","","9794.7","1.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","3d","","","- C40 H50 B20 Co Fe2 O2 S4 -","- C40 H50 B20 Co Fe2 O2 S4 -","- C320 H400 B160 Co8 Fe16 O16 S32 -","8","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.084","0.049","","","0.1095","0.1256","","","","","","1.031","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120205","10.3433","0.0009","11.1006","0.0006","11.5196","0.0006","92.719","0.006","110.076","0.003","117.114","0.003","1072.37","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","4a","","","- C16 H23 B10 Co O S2 -","- C16 H23 B10 Co O S2 -","- C32 H46 B20 Co2 O2 S4 -","2","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0634","0.0541","","","0.1471","0.1557","","","","","","1.066","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120206","11.1032","0.0012","19.663","0.002","11.7381","0.0013","90","","92.862","0.002","90","","2559.5","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 B10 Co O S2 -","- C21 H25 B10 Co O S2 -","- C84 H100 B40 Co4 O4 S8 -","4","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0696","0.0497","","","0.1059","0.1104","","","","","","1.055","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120207","11.012","0.002","11.929","0.002","15.63","0.003","90","","108.286","0.002","90","","1949.5","0.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5b","","","- C16 H22 B10 O S -","- C16 H22 B10 O S -","- C64 H88 B40 O4 S4 -","4","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0642","0.0513","","","0.1453","0.1537","","","","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120208","12.276","0.006","13.616","0.007","27.616","0.014","90","","90","","90","","4616","4","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","5d","","","- C20 H26 B10 Fe O S -","- C20 H26 B10 Fe O S -","- C160 H208 B80 Fe8 O8 S8 -","8","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0719","0.0544","","","0.122","0.1275","","","","","","1.05","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120209","22.919","0.004","14.761","0.003","13.662","0.003","90","","101.919","0.003","90","","4522.3","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6d","","","- C20 H26 B10 Fe O S -","- C20 H26 B10 Fe O S -","- C160 H208 B80 Fe8 O8 S8 -","8","2","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0806","0.0668","","","0.1632","0.1684","","","","","","1.082","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120210","11.5384","0.0018","13.4259","0.0011","22.357","0.0015","107.473","0.002","94.976","0.003","90.0002","","3289.9","0.6","291","2","291","2","","","","","","","","7","P -1","-P 1","2","7b","","","- C29.5 H33 B10 Cl Fe O2 S2 -","- C29.5 H33 B10 Cl Fe O2 S2 -","- C118 H132 B40 Cl4 Fe4 O8 S8 -","4","2","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0775","0.0558","","","0.1381","0.1447","","","","","","1.005","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120211","7.136","0.002","12.966","0.004","19.116","0.007","78.168","0.004","80.25","0.004","81.993","0.004","1696.1","0.9","291","2","291","2","","","","","","","","6","P -1","-P 1","2","7d","","","- C33 H36 B10 Fe2 O2 S2 -","- C33 H36 B10 Fe2 O2 S2 -","- C66 H72 B20 Fe4 O4 S4 -","2","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0678","0.0542","","","0.1183","0.1213","","","","","","1.096","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120212","27.962","0.004","11.778","0.0018","23.345","0.004","90","","94.41","0.002","90","","7666","2","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","7d","","","- C33 H39 B10 Fe2 O3 S2 -","- C33 H38 B10 Fe2 O3 S2 -","- C264 H304 B80 Fe16 O24 S16 -","8","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0712","0.052","","","0.118","0.1228","","","","","","1.046","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120213","7.6391","0.0012","12.9332","0.0014","18.1192","0.0016","69.207","0.002","80.139","0.003","80.777","0.002","1639.2","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","8c","","","- C31 H34 B10 Fe O2 S2 -","- C31 H34 B10 Fe O2 S2 -","- C62 H68 B20 Fe2 O4 S4 -","2","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0743","0.0554","","","0.1194","0.1248","","","","","","1.013","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120214","7.4352","0.0013","13.18","0.002","19.944","0.004","70.982","0.003","82.748","0.003","75.681","0.003","1788.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","8d","","","- C33 H36 B10 Fe2 O2 S2 -","- C33 H36 B10 Fe2 O2 S2 -","- C66 H72 B20 Fe4 O4 S4 -","2","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0715","0.0496","","","0.1201","0.1308","","","","","","0.968","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120215","7.3433","0.0005","28.044","0.002","15.4321","0.001","90","","103.764","0.003","90","","3086.8","0.4","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","9b","","","- C29 H32 B10 Fe O2 S2 -","- C29 H32 B10 Fe O2 S2 -","- C116 H128 B40 Fe4 O8 S8 -","4","1","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0793","0.0626","","","0.146","0.1516","","","","","","1.119","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120216","7.049","0.0005","15.7707","0.0011","31.054","0.002","90","","90","","90","","3452.2","0.4","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","10b","","","- C116 H130 B40 Fe4 O9 S8 -","- C116 H130 B40 Fe4 O9 S8 -","- C116 H130 B40 Fe4 O9 S8 -","1","0.25","","Zhaojin Wang; Hongde Ye; Yuguang Li; Yizhi Li; Hong Yan","Unprecedented Boron-Functionalized Carborane Derivatives by Facile and Selective Cobalt-Induced B-H Activation","Journal of the American Chemical Society","2013","135","","11289","11298","10.1021/ja4047075","","","0.71073","MoKα","","0.0916","0.0552","","","0.1192","0.1438","","","","","","1.102","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120217","19.5786","0.0004","32.8041","0.0006","31.8927","0.0006","90","","98.922","0.0007","90","","20235.5","0.7","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C246 H148 Co8 S15 -","- C246 H148 Co8 S15 -","- C984 H592 Co32 S60 -","4","1","","Masashi Maruyama; Kenta Imoto; Matthias König; Dirk M. Guldi; Shin-ichi Ohkoshi; Eiichi Nakamura; Yutaka Matsuo","Selective Synthesis of Co8S15 Cluster in Bowl-Shaped Template of the Pentaaryl[60]fullerene Ligand","Journal of the American Chemical Society","2013","135","","10914","10917","10.1021/ja405045t","","","1.54187","CuKα","","0.2776","0.1147","","","0.2168","0.2918","","","","","","1.097","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120218","7.4768","0.0015","14.377","0.003","15.145","0.004","115.82","0.007","99.384","0.01","99.565","0.015","1393.3","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H11 N2 O27 P6 Zn3 -","- C7 H11 N2 O27 P6 Zn3 -","- C14 H22 N4 O54 P12 Zn6 -","2","1","","Daiki Umeyama; Satoshi Horike; Munehiro Inukai; Susumu Kitagawa","Integration of Intrinsic Proton Conduction and Guest-Accessible Nanospace into a Coordination Polymer","Journal of the American Chemical Society","2013","135","","11345","11350","10.1021/ja4051668","","","0.71075","MoKα","","0.0866","0.0649","","","0.1851","0.2051","","","","","","1.224","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120219","24.0912","0.0009","24.0912","0.0009","24.0912","0.0009","90","","90","","90","","13982.2","0.9","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H54 N3 O V -","- C36 H54 N3 O V -","- C576 H864 N48 O16 V16 -","16","0.333333","","Taryn D. Palluccio; Elena V. Rybak-Akimova; Subhojit Majumdar; Xiaochen Cai; Megan Chui; Manuel Temprado; Jared S. Silvia; Anthony F. Cozzolino; Daniel Tofan; Alexandra Velian; Christopher C. Cummins; Burjor Captain; Carl D. Hoff","Thermodynamic and Kinetic Study of Cleavage of the N-O Bond of N-Oxides by a Vanadium(III) Complex: Enhanced Oxygen Atom Transfer Reaction Rates for Adducts of Nitrous Oxide and Mesityl Nitrile Oxide","Journal of the American Chemical Society","2013","135","","11357","11372","10.1021/ja405395z","","","0.71073","MoKα","","0.0495","0.036","","","0.0911","0.1007","","","","","","1.047","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120220","11.1855","0.0007","15.8829","0.001","6.0465","0.0004","90","","90","","90","","1074.21","0.12","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","0.5","","Taryn D. Palluccio; Elena V. Rybak-Akimova; Subhojit Majumdar; Xiaochen Cai; Megan Chui; Manuel Temprado; Jared S. Silvia; Anthony F. Cozzolino; Daniel Tofan; Alexandra Velian; Christopher C. Cummins; Burjor Captain; Carl D. Hoff","Thermodynamic and Kinetic Study of Cleavage of the N-O Bond of N-Oxides by a Vanadium(III) Complex: Enhanced Oxygen Atom Transfer Reaction Rates for Adducts of Nitrous Oxide and Mesityl Nitrile Oxide","Journal of the American Chemical Society","2013","135","","11357","11372","10.1021/ja405395z","","","0.71073","MoKα","","0.0566","0.045","","","0.121","0.1328","","","","","","1.049","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120221","32.3397","0.0007","32.3397","0.0007","13.7255","0.0003","90","","90","","120","","12431.7","0.5","100","2","100","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","MPM-1-TIFSIX","","","- C24 H26 Cu2 F12 N22 Ti2 -","- C24 H26 Cu2 F12 N22 Ti2 -","- C216 H234 Cu18 F108 N198 Ti18 -","9","0.25","","Patrick S. Nugent; Vanessah Lou Rhodus; Tony Pham; Katherine Forrest; Lukasz Wojtas; Brian Space; Michael J. Zaworotko","A Robust Molecular Porous Material with High CO2 Uptake and Selectivity","Journal of the American Chemical Society","2013","135","","10950","10953","10.1021/ja4054948","","","1.54178","CuKα","","0.0626","0.0584","","","0.1742","0.1822","","","","","","1.052","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120222","28.977","0.006","7.7766","0.0013","17.185","0.003","90","","92.712","0.002","90","","3868.2","1.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N2 O Pd -","- C26 H18 N2 O Pd -","- C208 H144 N16 O8 Pd8 -","8","1","","Kota Sasano; Jun Takaya; Nobuharu Iwasawa","Palladium(II)-Catalyzed Direct Carboxylation of Alkenyl C-H Bonds with CO2","Journal of the American Chemical Society","2013","135","","10954","10957","10.1021/ja405503y","","","0.71075","MoKα","","0.0416","0.0367","","","0.0807","0.0837","","","","","","1.125","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120223","9.403","0.004","12.127","0.005","14.748","0.005","109.83","0.005","94.785","0.006","100.526","0.002","1536","1.1","138","2","138","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H35 Cs O5 Pd -","- C34 H19 Cs O5 Pd -","- C68 H38 Cs2 O10 Pd2 -","2","1","","Kota Sasano; Jun Takaya; Nobuharu Iwasawa","Palladium(II)-Catalyzed Direct Carboxylation of Alkenyl C-H Bonds with CO2","Journal of the American Chemical Society","2013","135","","10954","10957","10.1021/ja405503y","","","0.71073","MoKα","","0.1055","0.0802","","","0.2317","0.287","","","","","","1.124","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120224","14.7885","0.0018","15.481","0.002","14.806","0.002","90","","98.104","0.011","90","","3355.8","0.8","153","2","153","2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C35 H52 N4 O4 -","- C35 H52 N4 O4 -","- C140 H208 N16 O16 -","4","1","","Zhiguo Bian; Christopher C. Marvin; Stephen F. Martin","Enantioselective Total Synthesis of (-)-Citrinadin A and Revision of Its Stereochemical Structure","Journal of the American Chemical Society","2013","135","","10886","10889","10.1021/ja405547f","","","0.71075","MoKα","","0.0462","0.0428","","","0.1099","0.1123","","","","","","1.07","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120225","7.341","0.0006","15.7811","0.0013","22.181","0.002","90","","90","","90","","2569.6","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Br N2 O3 -","- C29 H35 Br N2 O3 -","- C116 H140 Br4 N8 O12 -","4","1","","Ke Kong; John A. Enquist; Monica E. McCallum; Genessa M. Smith; Takanori Matsumaru; Elnaz Menhaji-Klotz; John L. Wood","An Enantioselective Total Synthesis and Stereochemical Revision of (+)-Citrinadin B","Journal of the American Chemical Society","2013","135","","10890","10893","10.1021/ja405548b","","","0.71073","MoKα","","0.048","0.034","","","0.0851","0.0909","","","","","","1.019","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120226","7.4679","0.0003","13.9184","0.0006","21.9214","0.0009","90","","90","","90","","2278.54","0.16","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 N2 O3 -","- C28 H32 N2 O3 -","- C112 H128 N8 O12 -","4","1","","Ke Kong; John A. Enquist; Monica E. McCallum; Genessa M. Smith; Takanori Matsumaru; Elnaz Menhaji-Klotz; John L. Wood","An Enantioselective Total Synthesis and Stereochemical Revision of (+)-Citrinadin B","Journal of the American Chemical Society","2013","135","","10890","10893","10.1021/ja405548b","","","0.71073","MoKα","","0.0631","0.0452","","","0.1048","0.1148","","","","","","0.99","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120227","7.4734","0.0015","12.225","0.002","27.512","0.006","90","","90","","90","","2513.6","0.9","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 O4 -","- C31 H32 O4 -","- C124 H128 O16 -","4","1","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","1.54178","CuKα","","0.0406","0.0402","","","0.1115","0.1121","","","","","","1.058","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120228","13.1073","0.0019","13.1073","0.0019","12.63","0.003","90","","90","","120","","1879.1","0.6","296","2","296","2","","","","","","","","3","P 32","P 32","145","","","","- C31 H32 O4 -","- C31 H32 O4 -","- C93 H96 O12 -","3","1","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","1.54178","CuKα","","0.0285","0.0285","","","0.0763","0.0764","","","","","","1.059","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120229","7.485","0.0015","8.276","0.0017","34.345","0.007","90","","90","","90","","2127.5","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Br O4 -","- C25 H21 Br O4 -","- C100 H84 Br4 O16 -","4","1","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","0.71073","MoKα","","0.1434","0.0668","","","0.1066","0.1268","","","","","","1.004","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120230","10.174","","11.562","","20.412","","90","","90","","90","","2401.1","","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 O4 -","- C30 H30 O4 -","- C120 H120 O16 -","4","1","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","1.54184","CuKα","","0.0723","0.066","","","0.1695","0.1923","","","","","","1.124","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120231","15.563","0.003","21.504","0.004","17.424","0.004","90","","90","","90","","5831","2","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C67 H58 Cl2 O14 -","- C67 H58 Cl2 O14 -","- C268 H232 Cl8 O56 -","4","0.5","","Shu-Yan Yu; Hao Zhang; Yang Gao; Lei Mo; Shaozhong Wang; Zhu-Jun Yao","Asymmetric Cascade Annulation Based on Enantioselective Oxa-Diels-Alder Cycloaddition of in Situ Generated Isochromenyliums by Cooperative Binary Catalysis of Pd(OAc)2 and (S)-Trip","Journal of the American Chemical Society","2013","135","","11402","11407","10.1021/ja405764p","","","1.54178","CuKα","","0.0391","0.0384","","","0.1108","0.1117","","","","","","1.055","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120232","12.829","0.011","12.878","0.011","21.754","0.015","82.843","0.017","81.29","0.03","89.02","0.02","3525","5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C70 H67 B2 F24 P Ru S -","- C70 H67 B2 F24 P Ru S -","- C140 H134 B4 F48 P2 Ru2 S2 -","2","1","","Timo Stahl; Kristine Müther; Yasuhiro Ohki; Kazuyuki Tatsumi; Martin Oestreich","Catalytic Generation of Borenium Ions by Cooperative B-H Bond Activation: The Elusive Direct Electrophilic Borylation of Nitrogen Heterocycles with Pinacolborane","Journal of the American Chemical Society","2013","135","","10978","10981","10.1021/ja405925w","","","0.7107","MoKα","","","0.0772","","","","0.2227","","","","","","1.076","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120233","24.846","0.012","13.173","0.006","7.666","0.004","90","","90","","90","","2509","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cl N4 O2 -","- C28 H23 Cl N4 O2 -","- C112 H92 Cl4 N16 O8 -","4","1","","Feng Zhou; Chen Tan; Jing Tang; Yan-Yan Zhang; Wei-Ming Gao; Hai-Hong Wu; Yi-Hua Yu; Jian Zhou","Asymmetric Copper(I)-Catalyzed Azide-Alkyne Cycloaddition to Quaternary Oxindoles","Journal of the American Chemical Society","2013","135","","10994","10997","10.1021/ja4066656","","","0.71073","MoKα","","0.0894","0.0669","","","0.1661","0.1848","","","","","","1.044","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120234","30.69","0.003","6.5952","0.0006","12.824","0.0009","90","","91.558","0.006","90","","2594.7","0.4","","","300","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C36 I6 N12 S3 Zn3 -","- C36 I6 N12 S3 Zn3 -","- C72 I12 N24 S6 Zn6 -","2","1","","Hiroyoshi Ohtsu; Wanuk Choi; Nazrul Islam; Yoshitaka Matsushita; Masaki Kawano","Selective Trapping of Labile S3 in a Porous Coordination Network and the Direct X-ray Observation","Journal of the American Chemical Society","2013","135","","11449","11452","10.1021/ja4046718","powder diffraction","","0.65297","synchrotron","","","0.029","","","0.0351","","","","","","","","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120235","30.971","0.003","12.8472","0.0006","13.087","0.001","90","","90","","90","","5207.2","0.7","","","300","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C36 I6 N12 S6 Zn3 -","- C72 I10 N24 S6 Zn5 -","- C144 I20 N48 S12 Zn10 -","2","0.25","","Hiroyoshi Ohtsu; Wanuk Choi; Nazrul Islam; Yoshitaka Matsushita; Masaki Kawano","Selective Trapping of Labile S3 in a Porous Coordination Network and the Direct X-ray Observation","Journal of the American Chemical Society","2013","135","","11449","11452","10.1021/ja4046718","powder diffraction","","1.5494","synchrotron","","","0.0434","","","0.0592","","","","","","","","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120236","16.91","0.02","5.089","0.006","18.16","0.02","90","","108.224","0.017","90","","1484","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C8-NDTI","","","- C34 H38 N2 O4 S2 -","- C34 H38 N2 O4 S2 -","- C68 H76 N4 O8 S4 -","2","0.5","","Yuta Fukutomi; Masahiro Nakano; Jian-Yong Hu; Itaru Osaka; Kazuo Takimiya","Naphthodithiophenediimide (NDTI): Synthesis, Structure, and Applications","Journal of the American Chemical Society","2013","135","","11445","11448","10.1021/ja404753r","","","0.71073","MoKα","","0.1838","0.07","","","0.1715","0.2246","","","","","","0.989","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120237","9.3778","0.0009","13.4883","0.0012","31.293","0.003","90","","90","","90","","3958.3","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H47 N7 O7 -","- C44 H47 N7 O7 -","- C176 H188 N28 O28 -","4","1","","Roshna V. Nair; Sanjeev Kheria; Suresh Rayavarapu; Amol S. Kotmale; Bharatam Jagadeesh; Rajesh G. Gonnade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","A Synthetic Zipper Peptide Motif Orchestrated via Co-operative Interplay of Hydrogen Bonding, Aromatic Stacking, and Backbone Chirality","Journal of the American Chemical Society","2013","135","","11477","11480","10.1021/ja405455g","","","0.71073","MoKα","","0.0563","0.0497","","","0.0948","0.0975","","","","","","1.165","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120238","12.654","0.0018","16.041","0.002","20.114","0.003","90.701","0.008","105.291","0.008","104.722","0.008","3795.2","0.9","97","2","97","2","","","","","","","","5","P 1","P 1","1","","","","- C40.25 H45.5 Br N6 O9 -","- C38.25 H38 Br1.125 N6 O7.25 -","- C153 H152 Br4.5 N24 O29 -","4","4","","Roshna V. Nair; Sanjeev Kheria; Suresh Rayavarapu; Amol S. Kotmale; Bharatam Jagadeesh; Rajesh G. Gonnade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","A Synthetic Zipper Peptide Motif Orchestrated via Co-operative Interplay of Hydrogen Bonding, Aromatic Stacking, and Backbone Chirality","Journal of the American Chemical Society","2013","135","","11477","11480","10.1021/ja405455g","","","0.71073","MoKα","","0.1636","0.1384","","","0.386","0.3983","","","","","","1.514","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120239","10.2506","0.0005","19.2039","0.0009","21.4853","0.001","90","","90","","90","","4229.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","foldamers","","","- C44 H51 N7 O9 -","- C44 H47 N7 O9 -","- C176 H188 N28 O36 -","4","1","","Roshna V. Nair; Sanjeev Kheria; Suresh Rayavarapu; Amol S. Kotmale; Bharatam Jagadeesh; Rajesh G. Gonnade; Vedavati G. Puranik; Pattuparambil R. Rajamohanan; Gangadhar J. Sanjayan","A Synthetic Zipper Peptide Motif Orchestrated via Co-operative Interplay of Hydrogen Bonding, Aromatic Stacking, and Backbone Chirality","Journal of the American Chemical Society","2013","135","","11477","11480","10.1021/ja405455g","","","0.71073","MoKα","","0.0936","0.0857","","","0.1797","0.183","","","","","","1.348","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120240","13.4009","0.0012","16.1929","0.0015","26.619","0.002","90","","90.117","0.004","90","","5776.3","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cr0.5 N4 P2 -","- C30 H32 Cr0.5 N4 P2 -","- C240 H256 Cr4 N32 P16 -","8","1","","Michael T. Mock; Shentan Chen; Molly O'Hagan; Roger Rousseau; William G. Dougherty; W. Scott Kassel; R. Morris Bullock","Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-Membered Phosphorus Macrocycle","Journal of the American Chemical Society","2013","135","","11493","11496","10.1021/ja405668u","","","0.71073","MoKα","","0.0919","0.0492","","","0.1051","0.1212","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120241","9.0093","0.0005","13.4763","0.0008","14.3888","0.0009","67.617","0.003","78.022","0.003","71.001","0.003","1520.36","0.16","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H40 Cl Cr0.5 N2 O P2 -","- C34 H40 Cl Cr0.5 N2 O P2 -","- C68 H80 Cl2 Cr N4 O2 P4 -","2","1","","Michael T. Mock; Shentan Chen; Molly O'Hagan; Roger Rousseau; William G. Dougherty; W. Scott Kassel; R. Morris Bullock","Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-Membered Phosphorus Macrocycle","Journal of the American Chemical Society","2013","135","","11493","11496","10.1021/ja405668u","","","0.71073","MoKα","","0.1708","0.0662","","","0.0677","0.0834","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120242","13.5892","0.0004","18.8021","0.0006","22.1635","0.0007","79.576","0.002","87.43","0.002","86.743","0.002","5557","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C121 H130 Cl4 Cr2 N8 O0.25 P8 -","- C121 H130 Cl4 Cr2 N8 O0.25 P8 -","- C242 H260 Cl8 Cr4 N16 O0.5 P16 -","2","1","","Michael T. Mock; Shentan Chen; Molly O'Hagan; Roger Rousseau; William G. Dougherty; W. Scott Kassel; R. Morris Bullock","Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-Membered Phosphorus Macrocycle","Journal of the American Chemical Society","2013","135","","11493","11496","10.1021/ja405668u","","","0.71073","MoKα","","0.0979","0.0513","","","0.1136","0.1377","","","","","","1.006","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120243","15.5327","0.0011","15.5382","0.0012","17.1832","0.0013","90","","96.408","0.002","90","","4121.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H48 Cl3 Cr N3 P3 -","- C45 H48 Cl3 Cr N3 P3 -","- C180 H192 Cl12 Cr4 N12 P12 -","4","1","","Michael T. Mock; Shentan Chen; Molly O'Hagan; Roger Rousseau; William G. Dougherty; W. Scott Kassel; R. Morris Bullock","Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-Membered Phosphorus Macrocycle","Journal of the American Chemical Society","2013","135","","11493","11496","10.1021/ja405668u","","","0.71073","MoKα","","0.0354","0.0278","","","0.0719","0.0759","","","","","","1.009","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120244","8.378","0.002","9.574","0.003","17.66","0.005","90","","90","","90","","1416.5","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 I O2 -","- C14 H15 I O2 -","- C56 H60 I4 O8 -","4","1","","Yuli Wang; Wanli Zhang; Shengming Ma","A Room-Temperature Catalytic Asymmetric Synthesis of Allenes with ECNU-Phos","Journal of the American Chemical Society","2013","135","","11517","11520","10.1021/ja406135t","","","0.71073","MoKα","","0.0206","0.0191","","","0.0444","0.0454","","","","","","1.058","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120245","10.3998","0.0006","17.909","0.0009","20.9073","0.0012","90","","90.258","0.002","90","","3893.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 Cl Mn P4 Sn -","- C36 H58 Cl Mn P4 Sn -","- C144 H232 Cl4 Mn4 P16 Sn4 -","4","1","","Alexander C. Filippou; Priyabrata Ghana; Uttam Chakraborty; Gregor Schnakenburg","Manganese-Tin Triple Bonds: A New Synthetic Route to the Manganese Stannylidyne Complex Cation trans-[H(dmpe)2Mn\τbSn(C6H3-2,6-Mes2)]+ (dmpe = Me2PCH2CH2PMe2, Mes = 2,4,6-Trimethylphenyl)","Journal of the American Chemical Society","2013","135","","11525","11528","10.1021/ja406290t","","","0.71073","MoKα","","0.0335","0.0235","","","0.052","0.0551","","","","","","1.012","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120246","19.4964","0.0003","15.7107","0.0004","25.8856","0.0006","90","","97.7733","0.0012","90","","7856","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H75 B F25 Mn P4 Sn -","- C74 H75 B F25 Mn P4 Sn -","- C296 H300 B4 F100 Mn4 P16 Sn4 -","4","1","","Alexander C. Filippou; Priyabrata Ghana; Uttam Chakraborty; Gregor Schnakenburg","Manganese-Tin Triple Bonds: A New Synthetic Route to the Manganese Stannylidyne Complex Cation trans-[H(dmpe)2Mn\τbSn(C6H3-2,6-Mes2)]+ (dmpe = Me2PCH2CH2PMe2, Mes = 2,4,6-Trimethylphenyl)","Journal of the American Chemical Society","2013","135","","11525","11528","10.1021/ja406290t","","","0.71073","MoKα","","0.0768","0.0445","","","0.1166","0.1281","","","","","","0.998","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120247","26.128","0.003","15.348","0.0015","15.9352","0.0015","90","","126.412","0.005","90","","5142.7","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N6 O3 -","- C24 H18 N6 O3 -","- C192 H144 N48 O24 -","8","1","","Xu-Zhong Luo; Xin-Jian Jia; Ji-Hua Deng; Jin-Lian Zhong; Hui-Jin Liu; Ke-Jun Wang; Di-Chang Zhong","A Microporous Hydrogen-Bonded Organic Framework: Exceptional Stability and Highly Selective Adsorption of Gas and Liquid","Journal of the American Chemical Society","2013","135","","11684","11687","10.1021/ja403002m","","","0.71073","MoKα","","0.0961","0.0509","","","0.1157","0.1289","","","","","","1.03","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120248","4.7028","0.0011","8.146","0.0018","7.7921","0.0018","90","","90","","90","","298.51","0.12","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ag0.93 Ca0.91 La0.09 Sb -","- Ag0.929 Ca0.881 La0.119 Sb -","- Ag3.716 Ca3.524 La0.476 Sb4 -","4","0.5","","Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao","Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance","Journal of the American Chemical Society","2013","135","","11840","11848","10.1021/ja403653m","","","0.71073","MoKα","","0.0311","0.027","","","0.0624","0.0642","","","","","","1.299","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120249","4.7029","0.0008","4.7029","0.0008","7.7921","0.0018","90","","90","","120","","149.25","0.05","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.92 Ca0.89 La0.11 Sb -","- Ag0.919 Ca0.894 La0.106 Sb -","- Ag1.838 Ca1.788 La0.212 Sb2 -","2","0.166667","","Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao","Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance","Journal of the American Chemical Society","2013","135","","11840","11848","10.1021/ja403653m","","","0.71073","MoKα","","0.0287","0.0256","","","0.0607","0.0624","","","","","","1.444","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120250","4.7023","0.0006","4.7023","0.0006","7.7951","0.0011","90","","90","","120","","149.27","0.03","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.9 Ca0.84 Ce0.16 Sb -","- Ag0.898 Ca0.838 Ce0.162 Sb -","- Ag1.796 Ca1.676 Ce0.324 Sb2 -","2","0.166667","","Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao","Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance","Journal of the American Chemical Society","2013","135","","11840","11848","10.1021/ja403653m","","","0.71073","MoKα","","0.0207","0.0194","","","0.0492","0.0499","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120251","4.7057","0.0005","4.7057","0.0005","7.788","0.0017","90","","90","","120","","149.35","0.04","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.86 Ca0.87 Pr0.14 Sb -","- Ag0.857 Ca0.865 Pr0.135 Sb -","- Ag1.714 Ca1.73 Pr0.27 Sb2 -","2","0.166667","","Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao","Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance","Journal of the American Chemical Society","2013","135","","11840","11848","10.1021/ja403653m","","","0.71073","MoKα","","0.0253","0.0227","","","0.0545","0.0553","","","","","","1.212","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120252","4.6931","0.0012","4.6931","0.0012","7.753","0.002","90","","90","","120","","147.88","0.07","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.87 Ca0.86 Nd0.14 Sb -","- Ag0.866 Ca0.859 Nd0.141 Sb -","- Ag1.732 Ca1.718 Nd0.282 Sb2 -","2","0.166667","","Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao","Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance","Journal of the American Chemical Society","2013","135","","11840","11848","10.1021/ja403653m","","","0.71073","MoKα","","0.0297","0.0234","","","0.0441","0.0464","","","","","","1.122","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120253","4.7008","0.0009","4.7008","0.0009","7.759","0.003","90","","90","","120","","148.48","0.07","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ag0.88 Ca0.83 Sb Sm0.17 -","- Ag0.878 Ca0.832 Sb Sm0.168 -","- Ag1.756 Ca1.664 Sb2 Sm0.336 -","2","0.166667","","Jian Wang; Xiao-Cun Liu; Sheng-Qing Xia; Xu-Tang Tao","Ca1-xRExAg1-ySb (RE = La, Ce, Pr, Nd, Sm; 0 <=x<=1; 0 <=y<=1): Interesting Structural Transformation and Enhanced High-Temperature Thermoelectric Performance","Journal of the American Chemical Society","2013","135","","11840","11848","10.1021/ja403653m","","","0.71073","MoKα","","0.0325","0.0267","","","0.0598","0.0621","","","","","","1.137","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120254","62.039","0.005","62.039","0.005","62.039","0.005","90","","90","","90","","238778","3","296","2","296","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","bio-MOF-101","","","- C46 H26 N10 O13 Zn4 -","- C46 H26 N10 O13 Zn4 -","- C2208 H1248 N480 O624 Zn192 -","48","0.5","","Tao Li; Mark T. Kozlowski; Evan A. Doud; Maike N. Blakely; Nathaniel L. Rosi","Stepwise Ligand Exchange for the Preparation of a Family of Mesoporous MOFs","Journal of the American Chemical Society","2013","135","","11688","11691","10.1021/ja403810k","","","1.54178","CuKα","","0.066","0.0536","","","0.1678","0.1757","","","","","","1.171","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120255","75.2379","0.0013","75.2379","0.0013","75.2379","0.0013","90","","90","","90","","425902","13","296","2","296","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","bio-MOF-102","","","- C52 H32 N16 O13 Zn4 -","- C52 H32 N16 O13 Zn4 -","- C2496 H1536 N768 O624 Zn192 -","48","0.5","","Tao Li; Mark T. Kozlowski; Evan A. Doud; Maike N. Blakely; Nathaniel L. Rosi","Stepwise Ligand Exchange for the Preparation of a Family of Mesoporous MOFs","Journal of the American Chemical Society","2013","135","","11688","11691","10.1021/ja403810k","","","1.54178","CuKα","","0.2843","0.238","","","0.5382","0.5803","","","","","","2.616","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120256","8.4166","0.0004","23.9579","0.001","20.3078","0.0009","90","","101.433","0.001","90","","4013.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ZCl","","","- C36 H22.25 Cl11.75 N4 Zn -","- C36 H22.2528 Cl11.7472 N4 Zn -","- C144 H89.0112 Cl46.9888 N16 Zn4 -","4","1","","Cong Trinh; Kent O. Kirlikovali; Andrew N. Bartynski; Christopher J. Tassone; Michael F. Toney; George F. Burkhard; Michael D. McGehee; Peter I. Djurovich; Mark E. Thompson","Efficient Energy Sensitization of C60 and Application to Organic Photovoltaics","Journal of the American Chemical Society","2013","135","","11920","11928","10.1021/ja4043356","","","0.71073","MoKα","","0.036","0.0278","","","0.0633","0.0665","","","","","","1.031","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120257","13.7927","0.0016","17.481","0.002","18.899","0.002","102.133","0.001","107.461","0.001","100.693","0.001","4095.9","0.8","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C78 H50 B2 F30 Fe N2 Ni O3 P2 S2 -","- C69 H30 B2 F30 Fe N2 Ni O2 P2 S2 -","- C138 H60 B4 F60 Fe2 N4 Ni2 O4 P4 S4 -","2","1","","Brian C. Manor; Thomas B. Rauchfuss","Hydrogen Activation by Biomimetic [NiFe]-Hydrogenase Model Containing Protected Cyanide Cofactors","Journal of the American Chemical Society","2013","135","","11895","11900","10.1021/ja404580r","","","0.71073","MoKα","","0.049","0.0363","","","0.097","0.1035","","","","","","1.01","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120258","14.598","0.002","15.368","0.002","19.946","0.003","95.559","0.002","98.804","0.002","113.598","0.002","3990","1","183","2","183","2","","","","","","","","11","P -1","-P 1","2","","","","- C77 H53 B2 Cl2 F30 Fe N3 Ni O P2 S2 -","- C76 H51 B2 F30 Fe N3 Ni O P2 S2 -","- C152 H102 B4 F60 Fe2 N6 Ni2 O2 P4 S4 -","2","1","","Brian C. Manor; Thomas B. Rauchfuss","Hydrogen Activation by Biomimetic [NiFe]-Hydrogenase Model Containing Protected Cyanide Cofactors","Journal of the American Chemical Society","2013","135","","11895","11900","10.1021/ja404580r","","","0.71073","MoKα","","0.047","0.0353","","","0.086","0.0908","","","","","","1.047","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120259","20.2084","0.0005","3.98043","0.00009","15.7991","0.0004","90","","109.387","0.0013","90","","1198.79","0.05","293","2","293","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C10 H10 F4 N3 Nb O -","- C10 H10 F4 N3 Nb O -","- C40 H40 F16 N12 Nb4 O4 -","4","1","","Hongcheng Lu; Romain Gautier; Martin D. Donakowski; T.Thao Tran; Bryce W. Edwards; Juan C. Nino; P. Shiv Halasyamani; Zhengtang Liu; Kenneth R. Poeppelmeier","Nonlinear Active Materials: An Illustration of Controllable Phase Matchability","Journal of the American Chemical Society","2013","135","","11942","11950","10.1021/ja4050604","","x-ray","1.54178","CuKα","","0.0223","0.0222","","","0.0592","0.0595","","","","","","1.11","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120260","7.2697","0.0004","9.0944","0.0005","9.758","0.0005","63.3821","0.0022","73.8095","0.002","80.3976","0.0023","553.23","0.05","100","2","100","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C20 H24 F5 N6 Nb O3 -","- C20 H24 F5 N6 Nb O3 -","- C20 H24 F5 N6 Nb O3 -","1","1","","Hongcheng Lu; Romain Gautier; Martin D. Donakowski; T.Thao Tran; Bryce W. Edwards; Juan C. Nino; P. Shiv Halasyamani; Zhengtang Liu; Kenneth R. Poeppelmeier","Nonlinear Active Materials: An Illustration of Controllable Phase Matchability","Journal of the American Chemical Society","2013","135","","11942","11950","10.1021/ja4050604","","x-ray","0.71069","MoKα","","0.0383","0.0354","","","0.09","0.0927","","","","","","1.078","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120261","11.90205","0.00011","11.90205","","29.692","0.0004","90","","90","","120","","3642.62","0.06","","","","","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C8 F N2 O20 Si10 -","- C8 F N2 O20 Si10 -","- C48 F6 N12 O120 Si60 -","6","0.5","","Alex Rojas; Oriol Arteaga; Bart Kahr; Miguel A. Camblor","Synthesis, Structure, and Optical Activity of HPM-1, a Pure Silica Chiral Zeolite","Journal of the American Chemical Society","2013","135","","11975","11984","10.1021/ja405088c","powder diffraction","x-ray","0.4995","","","","","","","","","0.06209","","1.86","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120262","10.3471","0.0009","10.6302","0.0008","11.6411","0.0009","90","","114.972","0.005","90","","1160.72","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C44 H72 N8 O8 -","4","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.0567","0.0419","","","0.1051","0.1128","","","","","","1.066","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120263","8.6696","0.0006","12.5616","0.0008","9.3007","0.0006","90","","110.499","0.003","90","","948.75","0.11","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 N2 O2 -","- C9 H14 N2 O2 -","- C36 H56 N8 O8 -","4","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.0556","0.0451","","","0.1225","0.1284","","","","","","1.079","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120264","8.44","0.003","8.862","0.003","13.239","0.004","90","","90","","90","","990.2","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 N2 O2 -","- C10 H16 N2 O2 -","- C40 H64 N8 O8 -","4","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.1041","0.0648","","","0.1531","0.1689","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120265","9.7049","0.0002","10.8957","0.0003","12.1847","0.0003","107.104","0.002","102.097","0.002","99.967","0.002","1165.51","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cl4 N2 O2 -","- C20 H28 Cl4 N2 O2 -","- C40 H56 Cl8 N4 O4 -","2","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.0541","0.0421","","","0.1083","0.1151","","","","","","1.069","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120266","10.5264","0.0002","15.4743","0.0003","11.5956","0.0002","90","","104.73","0.001","90","","1826.72","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C80 H112 N8 O8 -","4","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.0646","0.0451","","","0.1107","0.1199","","","","","","1.07","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120267","17.382","0.002","7.0482","0.0009","30.384","0.004","90","","90","","90","","3722.4","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H26 N2 O2 -","- C19 H26 N2 O2 -","- C152 H208 N16 O16 -","8","1","","Yan-Bo Wang; Yi-Ming Wang; Wen-Zhen Zhang; Xiao-Bing Lu","Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins","Journal of the American Chemical Society","2013","135","","11996","12003","10.1021/ja405114e","","","0.71073","MoKα","","0.0754","0.0517","","","0.1272","0.1444","","","","","","1.039","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4120268","10.6455","0.0005","15.534","0.0007","27.0655","0.0012","90","","91.767","0.003","90","","4473.6","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","[(mu-OAc)(Br)Co(Medoen)Mg(Me3TACN)]BPh4","","- C45 H60 B Br Co Mg N7 O4 -","- C45 H60 B Br Co Mg N7 O4 -","- C180 H240 B4 Br4 Co4 Mg4 N28 O16 -","4","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.0545","0.0353","","","0.0787","0.0857","","","","","","1.033","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120269","13.7524","0.0008","14.0032","0.0008","17.5215","0.001","103.512","0.003","99.587","0.003","100.736","0.003","3144.5","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","[(PPh3)Co(Medoen)Mg(Me3TACN)(THF)]BPh4","","- C69 H88 B Co Mg N7 O4 P -","- C69 H88 B Co Mg N7 O4 P -","- C138 H176 B2 Co2 Mg2 N14 O8 P2 -","2","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.0813","0.0428","","","0.1003","0.1167","","","","","","1.03","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120270","22.7508","0.0011","13.7761","0.0008","22.5814","0.0013","90","","90","","90","","7077.4","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","(mu-NO2)Co(Medoen)Mg(Me3TACN)","","- C29 H57 Co Mg N8 O6.5 -","- C29.734 H50.984 Co Mg N8 O6 -","- C237.872 H407.872 Co8 Mg8 N64 O48 -","8","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.1577","0.0881","","","0.1968","0.2239","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120271","11.6227","0.0013","11.9467","0.0014","15.4979","0.0018","84.582","0.002","79.196","0.002","83.448","0.002","2094.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","[(mu-NO2)Co(Medoen)Mg(Me3TACN)]BPh4","","- C43 H57 B Cl0 Co Mg N8 O4 -","- C43 H57 B Cl0.137 Co Mg N7.863 O3.726 -","- C86 H114 B2 Cl0.274 Co2 Mg2 N15.726 O7.452 -","2","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.0763","0.0514","","","0.1271","0.1427","","","","","","1.049","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120272","8.515","0.0002","13.6712","0.0004","12.9404","0.0004","90","","94.875","0.001","90","","1500.95","0.07","100","2","100","2","","","","","","","","9","P 1 c 1","P -2yc","7","","[(mu-NO2)(Br)Co(Medoen)Mg(Me3TACN)]PF6","","- C19 H37 Br Co F6 Mg N8 O4 P -","- C19 H37 Br0.8717 Co F6 Mg N8.1283 O4.2566 P -","- C38 H74 Br1.7434 Co2 F12 Mg2 N16.2566 O8.5132 P2 -","2","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.0356","0.0275","","","0.0762","0.0842","","","","","","0.607","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120273","31.695","0.003","11.5842","0.0012","30.376","0.004","90","","120.603","0.004","90","","9599.5","1.9","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","[(NO)(Cl)Co(Medoen)Mg(Me3TACN)(H2O)]BPh4","","- C47 H67 B Cl Co Mg N8 O5 -","- C47 H66.064 B Cl Co Mg N8 O5 -","- C376 H528.512 B8 Cl8 Co8 Mg8 N64 O40 -","8","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.0988","0.0521","","","0.1177","0.1377","","","","","","1.017","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120274","14.2031","0.0006","14.4679","0.0007","15.6818","0.0007","70.548","0.002","68.324","0.002","63.304","0.002","2620.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[(mu-OAc)Co(Medoen)Mg]BPh4","","- C53 H76 B Co Mg N7 O6 -","- C53 H75.64 B Co Mg N7 O6 -","- C106 H151.28 B2 Co2 Mg2 N14 O12 -","2","1","","Christopher Uyeda; Jonas C. Peters","Selective Nitrite Reduction at Heterobimetallic CoMg Complexes","Journal of the American Chemical Society","2013","135","","12023","12031","10.1021/ja4053653","","","0.71073","MoKα","","0.1566","0.0692","","","0.1651","0.2028","","","","","","1.028","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120275","18.4201","0.0007","14.1598","0.0006","27.2989","0.0011","90","","94.276","0.002","90","","7100.4","0.5","100","2","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","(Ph,Bn-P2N2)Mn(Br)(CO)(bppm)","","- C73 H54 Br F25.5 Mn N2 O P4 -","- C73 H54 Br F25.4997 Mn N2 O P4 -","- C292 H216 Br4 F101.999 Mn4 N8 O4 P16 -","4","1","","Elliott B. Hulley; Kevin D. Welch; Aaron M. Appel; Daniel L. DuBois; R. Morris Bullock","Rapid, Reversible Heterolytic Cleavage of Bound H2","Journal of the American Chemical Society","2013","135","","11736","11739","10.1021/ja405755j","","","0.71073","MoKα","","0.057","0.0372","","","0.0835","0.092","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120276","12.5879","0.0005","18.8382","0.0007","22.7836","0.0009","106.131","0.002","93.897","0.002","92.643","0.002","5166.1","0.4","200","","200","","","","","","","","","9","P -1","-P 1","2","","[(P2N2)Mn(CO)(bppm)][BarF]","","- C97 H60 B Cl2 F48 Mn N2 O P4 -","- C97 H60 B Cl2 F48 Mn N2 O P4 -","- C194 H120 B2 Cl4 F96 Mn2 N4 O2 P8 -","2","1","","Elliott B. Hulley; Kevin D. Welch; Aaron M. Appel; Daniel L. DuBois; R. Morris Bullock","Rapid, Reversible Heterolytic Cleavage of Bound H2","Journal of the American Chemical Society","2013","135","","11736","11739","10.1021/ja405755j","","x-ray","0.71073","MoKα","K-L~3~","0.0882","0.0597","","","0.1547","0.175","","","","","","1.027","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120277","16.3703","0.0004","15.5253","0.0004","41.776","0.001","90","","100.801","0.001","90","","10429.4","0.4","150","1","150","1","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","endo-(P2N2H)MnH(CO)(bppm)[BArF]","","- C98.15 H63.96 B Cl4.34 F48 Mn N2 O P4 -","- C98.1539 H63.9638 B Cl4.345 F48 Mn N2 O P4 -","- C392.616 H255.855 B4 Cl17.38 F192 Mn4 N8 O4 P16 -","4","1","","Elliott B. Hulley; Kevin D. Welch; Aaron M. Appel; Daniel L. DuBois; R. Morris Bullock","Rapid, Reversible Heterolytic Cleavage of Bound H2","Journal of the American Chemical Society","2013","135","","11736","11739","10.1021/ja405755j","","x-ray","0.71073","MoKα","K-L~3~","0.096","0.0743","","","0.1764","0.1866","","","","","","1.108","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120278","24.1332","0.0009","13.5042","0.0006","20.4034","0.0009","90","","96.462","0.004","90","","6607.2","0.5","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C48 H108 O16 Si4 U -","- C48 H108 O16 Si4 U -","- C192 H432 O64 Si16 U4 -","4","0.5","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.0602","0.0459","","","0.1007","0.107","","","","","","1.098","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120279","24.5649","0.0008","13.263","0.0003","25.9619","0.0008","90","","118.606","0.004","90","","7426","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H118 N2 O16 Si4 U -","- C58 H118 N2 O16 Si4 U -","- C232 H472 N8 O64 Si16 U4 -","4","0.5","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.0274","0.0234","","","0.0529","0.0542","","","","","","1.049","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120280","18.2032","0.0012","25.9028","0.0011","36.9447","0.0018","90","","90","","90","","17419.9","1.6","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C67 H140 K O22 Si4 U -","- C67 H140 K O22 Si4 U -","- C536 H1120 K8 O176 Si32 U8 -","8","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.1853","0.0729","","","0.1034","0.1384","","","","","","0.98","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120281","15.56","0.0007","28.0501","0.0011","25.1711","0.0011","90","","97.154","0.005","90","","10900.6","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H168 N4 O16 Si4 U2 -","- C88 H168 N4 O16 Si4 U2 -","- C352 H672 N16 O64 Si16 U8 -","4","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.1939","0.0822","","","0.1722","0.2252","","","","","","0.983","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120282","14.4543","0.0008","14.5344","0.0008","25.4464","0.0012","94.358","0.004","91.81","0.004","118.909","0.005","4651.9","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C71.5 H150.5 K N O22 Si4 U -","- C71.5 H150.5 K N O22 Si4 U -","- C143 H301 K2 N2 O44 Si8 U2 -","2","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.1476","0.0785","","","0.11","0.1325","","","","","","0.986","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120283","14.047","0.0008","14.047","0.0008","43.104","0.003","90","","90","","120","","7365.7","0.8","150","2","150","2","","","","","","","","7","P 32","P 32","145","","","","- C77 H157 K N O22 Si5 U -","- C77 H157 K N O22 Si5 U -","- C231 H471 K3 N3 O66 Si15 U3 -","3","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.0989","0.064","","","0.1083","0.1232","","","","","","1.022","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120284","13.7947","0.0003","26.1912","0.0007","25.0278","0.0005","90","","93.479","0.002","90","","9025.9","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H139 K N4 O18 Si5 U -","- C68 H139 K N4 O18 Si5 U -","- C272 H556 K4 N16 O72 Si20 U4 -","4","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.0765","0.0449","","","0.0941","0.1074","","","","","","1.052","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120285","14.0305","0.0005","24.7215","0.0007","26.3108","0.0009","90","","98.009","0.003","90","","9037","0.5","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C67 H140 K N3 O22 Si4 U -","- C67 H140 K N3 O22 Si4 U -","- C268 H560 K4 N12 O88 Si16 U4 -","4","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.075","0.058","","","0.12","0.1287","","","","","","1.07","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120286","15.3369","0.0005","17.9607","0.0007","19.2055","0.0006","78.456","0.003","84.822","0.003","86.879","0.003","5158.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H162 Cs N O24 Si6 U2 -","- C72 H162 Cs N O24 Si6 U2 -","- C144 H324 Cs2 N2 O48 Si12 U4 -","2","1","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.0933","0.0456","","","0.0912","0.1145","","","","","","0.929","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120287","13.3139","0.0004","13.6374","0.0004","18.3661","0.0007","90.824","0.003","106.789","0.003","115.962","0.003","2831.68","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H178 K2 N2 O24 Si6 U2 -","- C86 H178 K2 N2 O24 Si6 U2 -","- C86 H178 K2 N2 O24 Si6 U2 -","1","0.5","","Clément Camp; Jacques Pécaut; Marinella Mazzanti","Tuning Uranium-Nitrogen Multiple Bond Formation with Ancillary Siloxide Ligands","Journal of the American Chemical Society","2013","135","","12101","12111","10.1021/ja405815b","","","0.71073","MoKα","","0.0977","0.0739","","","0.1549","0.1679","","","","","","1.137","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120288","6.1707","0.0006","8.7929","0.0008","30.591","0.003","90","","90","","90","","1659.8","0.3","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Br N O -","- C21 H16 Br N O -","- C84 H64 Br4 N4 O4 -","4","1","","Kodai Saito; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Chiral Phosphoric Acid-Catalyzed Oxidative Kinetic Resolution of Indolines Based on Transfer Hydrogenation to Imines","Journal of the American Chemical Society","2013","135","","11740","11743","10.1021/ja406004q","","","0.71073","MoKα","","0.0228","0.0208","","","0.049","0.0507","","","","","","1.059","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120289","8.8754","0.0009","11.0905","0.0011","33.563","0.003","90","","90","","90","","3303.7","0.6","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O2 S -","- C17 H15 Br N O2 S -","- C136 H120 Br8 N8 O16 S8 -","8","2","","Kodai Saito; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Chiral Phosphoric Acid-Catalyzed Oxidative Kinetic Resolution of Indolines Based on Transfer Hydrogenation to Imines","Journal of the American Chemical Society","2013","135","","11740","11743","10.1021/ja406004q","","","0.71073","MoKα","","0.0403","0.0293","","","0.0624","0.0651","","","","","","1.009","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120290","8.539","0.003","9.408","0.003","17.039","0.005","90","","90","","90","","1368.8","0.8","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br N O -","- C16 H14 Br N O -","- C64 H56 Br4 N4 O4 -","4","1","","Kodai Saito; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Chiral Phosphoric Acid-Catalyzed Oxidative Kinetic Resolution of Indolines Based on Transfer Hydrogenation to Imines","Journal of the American Chemical Society","2013","135","","11740","11743","10.1021/ja406004q","","","0.71073","MoKα","","0.0528","0.0435","","","0.0979","0.101","","","","","","0.955","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120291","9.9478","0.0019","18.536","0.004","19.126","0.004","90","","104.413","0.003","90","","3415.7","1.2","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H18 Br N O2 S -","- C18 H18 Br N O2 S -","- C144 H144 Br8 N8 O16 S8 -","8","4","","Kodai Saito; Yukihiro Shibata; Masahiro Yamanaka; Takahiko Akiyama","Chiral Phosphoric Acid-Catalyzed Oxidative Kinetic Resolution of Indolines Based on Transfer Hydrogenation to Imines","Journal of the American Chemical Society","2013","135","","11740","11743","10.1021/ja406004q","","","0.71073","MoKα","","0.0943","0.0564","","","0.1077","0.1228","","","","","","0.976","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120292","39.136","0.008","39.136","0.008","26.968","0.006","90","","90","","120","","35771","13","100","2","100","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C66 H66 N35 O17 -","- C65.991 H63.992 N34.9985 O17 -","- C1187.84 H1151.86 N629.973 O306 -","18","2","","Jesús del Barrio; Peter N. Horton; Didier Lairez; Gareth O. Lloyd; Chris Toprakcioglu; Oren A. Scherman","Photocontrol over Cucurbit[8]uril Complexes: Stoichiometry and Supramolecular Polymers","Journal of the American Chemical Society","2013","135","","11760","11763","10.1021/ja406556h","","","1.54178","CuKα","","0.1104","0.0925","","","0.2643","0.2904","","","","","","1.101","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120293","12.9176","0.0009","26.8483","0.0019","25.9955","0.0018","90","","90","","90","","9015.6","1.1","30","2","30","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C72 H81 Cl0.5 I1.5 N36 O21.5 -","- C72 H70 Cl0.5 I1.5 N36 O21.5 -","- C288 H280 Cl2 I6 N144 O86 -","4","1","","Jesús del Barrio; Peter N. Horton; Didier Lairez; Gareth O. Lloyd; Chris Toprakcioglu; Oren A. Scherman","Photocontrol over Cucurbit[8]uril Complexes: Stoichiometry and Supramolecular Polymers","Journal of the American Chemical Society","2013","135","","11760","11763","10.1021/ja406556h","","","0.6889","","","0.1527","0.103","","","0.2845","0.3268","","","","","","1.164","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120294","9.7378","0.0012","10.5173","0.0013","14.3679","0.0017","90","","90","","90","","1471.5","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","FOXCl2","","","- C2 H2 Cl2 N4 O4 -","- C2 H2 Cl2 N4 O4 -","- C16 H16 Cl16 N32 O32 -","8","1","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0805","0.0386","","","0.0675","0.0825","","","","","","1.006","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120295","7.8266","0.001","7.0676","0.0009","12.7622","0.0016","90","","101.392","0.002","90","","692.04","0.15","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","FOXCl4","","","- C4 Cl4 N8 O8 -","- C4 Cl4 N8 O8 -","- C8 Cl8 N16 O16 -","2","0.5","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0253","0.0228","","","0.0622","0.0633","","","","","","1.033","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120296","10.1648","0.001","10.6545","0.001","14.6781","0.0013","90","","90","","90","","1589.7","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","2-dibromo-2,2-dinitroacetimidamide","","- C2 H2 Br2 N4 O4 -","- C2 H2 Br2 N4 O4 -","- C16 H16 Br16 N32 O32 -","8","1","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0622","0.0534","","","0.1085","0.1126","","","","","","1.031","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120297","7.9255","0.0008","7.1177","0.0007","12.8665","0.0012","90","","102.113","0.001","90","","709.66","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FOXBr2Cl2","","","- C4 Br2 Cl2 N8 O8 -","- C4 Br2 Cl2 N8 O8 -","- C8 Br4 Cl4 N16 O16 -","2","0.5","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.042","0.0389","","","0.1182","0.1211","","","","","","1.073","","","","has coordinates,has disorder","178979","2020-10-21","18:00:00",""
"4120298","7.98","0.0007","7.1271","0.0007","12.9548","0.0012","90","","102.706","0.001","90","","718.75","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FOX-Br2Cl2","","","- C4 Br2.4 Cl1.6 N8 O8 -","- C4 Br2.4 Cl1.6 N8 O8 -","- C8 Br4.8 Cl3.2 N16 O16 -","2","0.5","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0305","0.0269","","","0.0704","0.0722","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120299","8.0235","0.0012","9.831","0.0015","10.1811","0.0015","90","","111.447","0.002","90","","747.47","0.19","149.5","","149.5","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 Cl N4 O4 -","- C3 H5 Cl N4 O4 -","- C12 H20 Cl4 N16 O16 -","4","1","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0403","0.0341","","","0.0883","0.0922","","","","","","1.049","","","","has coordinates","178979","2020-10-21","18:00:00",""
"4120300","5.9328","0.0012","16.786","0.003","8.4872","0.0017","90","","100.468","0.002","90","","831.2","0.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(Z)-N',2-dichloro-N-methyl-2,2-dinitroacetimidamide","","- C3 H4 Cl2 N4 O4 -","- C3 H4 Cl2 N4 O4 -","- C12 H16 Cl8 N16 O16 -","4","1","","Thao T. Vo; Jiaheng Zhang; Damon A. Parrish; Brendan Twamley; Jean'ne M. Shreeve","New Roles for 1,1-Diamino-2,2-dinitroethene (FOX-7): Halogenated FOX-7 and Azo-bis(diahaloFOX) as Energetic Materials and Oxidizers","Journal of the American Chemical Society","2013","135","","11787","11790","10.1021/ja406629g","","","0.71073","MoKα","","0.0181","0.0178","","","0.0454","0.0457","","","","","","1.048","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120301","6.9167","0.0001","16.1463","0.0003","25.1508","0.0005","90","","90","","90","","2808.82","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 N2 O P -","- C32 H39 N2 O P -","- C128 H156 N8 O4 P4 -","4","1","","Pavel A. Donets; Nicolai Cramer","Diaminophosphine Oxide Ligand Enabled Asymmetric Nickel-Catalyzed Hydrocarbamoylations of Alkenes","Journal of the American Chemical Society","2013","135","","11772","11775","10.1021/ja406730t","","","1.54178","CuKα","","0.0467","0.0402","","","0.104","0.1107","","","","","","1.049","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120302","7.7009","0.00013","8.44732","0.0002","19.9183","0.0004","90","","90","","90","","1295.72","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H20 Br N O -","- C11 H20 Br N O -","- C44 H80 Br4 N4 O4 -","4","1","","Pavel A. Donets; Nicolai Cramer","Diaminophosphine Oxide Ligand Enabled Asymmetric Nickel-Catalyzed Hydrocarbamoylations of Alkenes","Journal of the American Chemical Society","2013","135","","11772","11775","10.1021/ja406730t","","","1.54178","CuKα","","0.0201","0.0198","","","0.0542","0.0545","","","","","","1.032","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120303","11.0019","0.0002","13.3559","0.0003","17.3433","0.0003","90","","107.829","0.0012","90","","2426.04","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Ni O P2 -","- C25 H38 Ni O P2 -","- C100 H152 Ni4 O4 P8 -","4","1","","Dmitry V. Gutsulyak; Warren E. Piers; Javier Borau-Garcia; Masood Parvez","Activation of Water, Ammonia, and Other Small Molecules by PCcarbeneP Nickel Pincer Complexes","Journal of the American Chemical Society","2013","135","","11776","11779","10.1021/ja406742n","","","0.71073","MoKα","","0.0439","0.0362","","","0.086","0.0908","","","","","","1.109","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120304","11.1311","0.0002","13.7498","0.0003","17.3926","0.0004","90","","107.906","0.0012","90","","2533","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Br Ni P2 -","- C25 H37 Br Ni P2 -","- C100 H148 Br4 Ni4 P8 -","4","1","","Dmitry V. Gutsulyak; Warren E. Piers; Javier Borau-Garcia; Masood Parvez","Activation of Water, Ammonia, and Other Small Molecules by PCcarbeneP Nickel Pincer Complexes","Journal of the American Chemical Society","2013","135","","11776","11779","10.1021/ja406742n","","","0.71073","MoKα","","0.0487","0.0369","","","0.0828","0.0899","","","","","","1.069","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120305","12.1978","0.0004","18.9664","0.0005","16.8785","0.0005","90","","107.626","0.0013","90","","3721.49","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Ni P3 -","- C43 H51 Ni P3 -","- C172 H204 Ni4 P12 -","4","1","","Dmitry V. Gutsulyak; Warren E. Piers; Javier Borau-Garcia; Masood Parvez","Activation of Water, Ammonia, and Other Small Molecules by PCcarbeneP Nickel Pincer Complexes","Journal of the American Chemical Society","2013","135","","11776","11779","10.1021/ja406742n","","","0.71073","MoKα","","0.1239","0.0855","","","0.1543","0.1716","","","","","","1.194","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120306","8.9707","0.0003","16.2272","0.0004","16.9636","0.0004","90","","99.409","0.0013","90","","2436.16","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 Ni P2 -","- C25 H38 Ni P2 -","- C100 H152 Ni4 P8 -","4","1","","Dmitry V. Gutsulyak; Warren E. Piers; Javier Borau-Garcia; Masood Parvez","Activation of Water, Ammonia, and Other Small Molecules by PCcarbeneP Nickel Pincer Complexes","Journal of the American Chemical Society","2013","135","","11776","11779","10.1021/ja406742n","","","0.71073","MoKα","","0.0587","0.0469","","","0.0979","0.1055","","","","","","1.118","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120307","11.9265","0.0003","13.362","0.0003","16.6181","0.0004","81.9352","0.0012","73.8259","0.0013","87.8959","0.0013","2518.31","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H78 N2 Ni2 P4 -","- C50 H78 N2 Ni2 P4 -","- C100 H156 N4 Ni4 P8 -","2","1","","Dmitry V. Gutsulyak; Warren E. Piers; Javier Borau-Garcia; Masood Parvez","Activation of Water, Ammonia, and Other Small Molecules by PCcarbeneP Nickel Pincer Complexes","Journal of the American Chemical Society","2013","135","","11776","11779","10.1021/ja406742n","","","0.71073","MoKα","","0.0726","0.0527","","","0.1061","0.1181","","","","","","1.096","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120308","16.5666","0.0017","11.056","0.0011","26.027","0.003","90","","104.511","0.0015","90","","4615","0.8","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H77 Ir N2 P2 -","- C49 H77 Ir N2 P2 -","- C196 H308 Ir4 N8 P8 -","4","1","","Yung-Hung Chang; Yumiko Nakajima; Hiromasa Tanaka; Kazunari Yoshizawa; Fumiyuki Ozawa","Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Noninnocent PNP-Pincer Type Phosphaalkene Ligand","Journal of the American Chemical Society","2013","135","","11791","11794","10.1021/ja407163z","","","0.71075","MoKα","","0.0428","0.039","","","0.0888","0.0915","","","","","","1.034","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120309","12.8544","0.0019","19.329","0.003","23.798","0.004","90","","90","","90","","5912.9","1.6","173","2","173","2","","","","","","","","8","P b c 21","P 2c -2b","29","","","","- C55 H86 Cl Ir K N O6 P2 -","- C55 H86 Cl Ir K N O6 P2 -","- C220 H344 Cl4 Ir4 K4 N4 O24 P8 -","4","1","","Yung-Hung Chang; Yumiko Nakajima; Hiromasa Tanaka; Kazunari Yoshizawa; Fumiyuki Ozawa","Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Noninnocent PNP-Pincer Type Phosphaalkene Ligand","Journal of the American Chemical Society","2013","135","","11791","11794","10.1021/ja407163z","","","0.7107","MoKα","","0.0607","0.0533","","","0.1245","0.1297","","","","","","1.043","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120310","13.213","0.005","14.526","0.006","14.757","0.006","105.061","0.002","98.416","0.005","112.588","0.004","2427.1","1.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H76 Ir N O P2 -","- C50 H76 Ir N O P2 -","- C100 H152 Ir2 N2 O2 P4 -","2","1","","Yung-Hung Chang; Yumiko Nakajima; Hiromasa Tanaka; Kazunari Yoshizawa; Fumiyuki Ozawa","Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Noninnocent PNP-Pincer Type Phosphaalkene Ligand","Journal of the American Chemical Society","2013","135","","11791","11794","10.1021/ja407163z","","","0.7107","MoKα","","0.0915","0.0613","","","0.108","0.1251","","","","","","1.052","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120311","13.075","0.002","14.453","0.003","14.685","0.002","105.283","0.0017","97.614","0.0009","112.598","0.0017","2384.7","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H79 Ir N2 P2 -","- C49 H79 Ir N2 P2 -","- C98 H158 Ir2 N4 P4 -","2","1","","Yung-Hung Chang; Yumiko Nakajima; Hiromasa Tanaka; Kazunari Yoshizawa; Fumiyuki Ozawa","Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Noninnocent PNP-Pincer Type Phosphaalkene Ligand","Journal of the American Chemical Society","2013","135","","11791","11794","10.1021/ja407163z","","","0.71075","MoKα","","0.0446","0.039","","","0.0799","0.0837","","","","","","1.03","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120312","8.9208","0.0009","32.936","0.004","15.8013","0.0017","90","","105.59","0.0014","90","","4471.9","0.9","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H69 Ir N2 P2 -","- C49 H69 Ir N2 P2 -","- C196 H276 Ir4 N8 P8 -","4","1","","Yung-Hung Chang; Yumiko Nakajima; Hiromasa Tanaka; Kazunari Yoshizawa; Fumiyuki Ozawa","Facile N-H Bond Cleavage of Ammonia by an Iridium Complex Bearing a Noninnocent PNP-Pincer Type Phosphaalkene Ligand","Journal of the American Chemical Society","2013","135","","11791","11794","10.1021/ja407163z","","","0.71075","MoKα","","0.0837","0.0743","","","0.1662","0.1743","","","","","","1.071","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120313","12.7037","0.0005","19.5075","0.0006","13.6703","0.0006","90","","117.333","0.005","90","","3009.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H44 N2 P2 Si -","- C29 H44 N2 P2 Si -","- C116 H176 N8 P8 Si4 -","4","1","","Kerstin Hansen; Tibor Szilvási; Burgert Blom; Shigeyoshi Inoue; Jan Epping; Matthias Driess","A Fragile Zwitterionic Phosphasilene as a Transfer Agent of the Elusive Parent Phosphinidene (:PH)","Journal of the American Chemical Society","2013","135","","11795","11798","10.1021/ja4072699","","","0.71073","MoKα","","0.0662","0.0485","","","0.0997","0.1066","","","","","","1.069","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120314","12.5294","0.0004","19.3366","0.0006","13.5552","0.0005","90","","117.052","0.004","90","","2924.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H42 Cl N2 P Si -","- C29 H42 Cl N2 P Si -","- C116 H168 Cl4 N8 P4 Si4 -","4","1","","Kerstin Hansen; Tibor Szilvási; Burgert Blom; Shigeyoshi Inoue; Jan Epping; Matthias Driess","A Fragile Zwitterionic Phosphasilene as a Transfer Agent of the Elusive Parent Phosphinidene (:PH)","Journal of the American Chemical Society","2013","135","","11795","11798","10.1021/ja4072699","","","0.71073","MoKα","","0.0612","0.0476","","","0.1012","0.1067","","","","","","1.096","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120315","12.4126","0.0007","16.8635","0.0008","13.9815","0.0009","90","","104.624","0.007","90","","2831.8","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 N2 P Si -","- C29 H41 N2 P Si -","- C116 H164 N8 P4 Si4 -","4","1","","Kerstin Hansen; Tibor Szilvási; Burgert Blom; Shigeyoshi Inoue; Jan Epping; Matthias Driess","A Fragile Zwitterionic Phosphasilene as a Transfer Agent of the Elusive Parent Phosphinidene (:PH)","Journal of the American Chemical Society","2013","135","","11795","11798","10.1021/ja4072699","","","0.71073","MoKα","","0.0941","0.0627","","","0.1185","0.1314","","","","","","1.083","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120316","7.6315","0.0011","12.0996","0.0017","10.2473","0.0014","90","","97.95","0.002","90","","937.1","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Subash Chandra Sahoo; Manas K. Panda; Naba K. Nath; Panče Naumov","Biomimetic Crystalline Actuators: Structure-Kinematic Aspects of the Self-Actuation and Motility of Thermosalient Crystals","Journal of the American Chemical Society","2013","135","","12241","12251","10.1021/ja404192g","","","0.71073","MoKα","","0.0484","0.0409","","","0.1178","0.129","","","","","","1.071","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120317","29.1386","0.001","25.5863","0.0008","16.7148","0.0006","90","","92.259","0.002","90","","12452","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","30dfmj12","","","- C120 H136 N7 O27 Zn7 -","- C120 H130 N7 O27 Zn7 -","- C480 H520 N28 O108 Zn28 -","4","0.5","","Drew A. Fowler; Asanka S. Rathnayake; Stuart Kennedy; Harshita Kumari; Christine M. Beavers; Simon J. Teat; Jerry L. Atwood","Introducing Defects into Metal-Seamed Nanocapsules Using Mixed Macrocycles","Journal of the American Chemical Society","2013","135","","12184","12187","10.1021/ja404392m","","","0.7749","synchrotron","","0.1489","0.1294","","","0.4185","0.4372","","","","","","1.885","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120318","23.0569","0.0013","23.0569","0.0013","23.0569","0.0013","90","","90","","90","","12257.5","1.2","100","1","100","1","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C18 H30 Fe Li0.33 N2.33 O Si -","- C18 H30 Fe Li0.11 N2.33333 O Si -","- C432 H720 Fe24 Li2.64 N56 O24 Si24 -","24","1","","Tamara M. Powers; Theodore A. Betley","Testing the Polynuclear Hypothesis: Multielectron Reduction of Small Molecules by Triiron Reaction Sites","Journal of the American Chemical Society","2013","135","","12289","12296","10.1021/ja405057n","","","0.71073","MoKα","","0.0456","0.0304","","","0.0751","0.0806","","","","","","1.021","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120319","30.62","0.003","25.011","0.002","18.0387","0.0014","90","","109.703","0.002","90","","13005.9","1.9","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H85 Fe3 N7 Si3 -","- C54 H85 Fe3 N7 Si3 -","- C432 H680 Fe24 N56 Si24 -","8","1","","Tamara M. Powers; Theodore A. Betley","Testing the Polynuclear Hypothesis: Multielectron Reduction of Small Molecules by Triiron Reaction Sites","Journal of the American Chemical Society","2013","135","","12289","12296","10.1021/ja405057n","","","0.71073","MoKα","","0.13","0.0671","","","0.1937","0.2308","","","","","","1.044","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120320","15.2814","0.0014","21.682","0.002","22.529","0.002","96.398","0.002","108.873","0.002","100.447","0.002","6829.1","1.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C131 H205 Fe6 N16 Si6 -","- C131 H205 Fe6 N16 Si6 -","- C262 H410 Fe12 N32 Si12 -","2","1","","Tamara M. Powers; Theodore A. Betley","Testing the Polynuclear Hypothesis: Multielectron Reduction of Small Molecules by Triiron Reaction Sites","Journal of the American Chemical Society","2013","135","","12289","12296","10.1021/ja405057n","","","0.71073","MoKα","","0.1492","0.0643","","","0.1444","0.1784","","","","","","1.043","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120321","14.9916","0.0012","19.0344","0.0015","24.784","0.0019","90","","93.6714","0.0014","90","","7057.8","1","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H112 Br Fe3 N7 O Si3 -","- C62 H112 Br Fe3 N7 O Si3 -","- C248 H448 Br4 Fe12 N28 O4 Si12 -","4","1","","Tamara M. Powers; Theodore A. Betley","Testing the Polynuclear Hypothesis: Multielectron Reduction of Small Molecules by Triiron Reaction Sites","Journal of the American Chemical Society","2013","135","","12289","12296","10.1021/ja405057n","","","0.71073","MoKα","","0.1333","0.0717","","","0.1612","0.182","","","","","","1.047","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120322","14.6362","0.0001","10.4655","0.0001","28.9836","0.0002","90","","90","","90","","4439.57","0.06","293","","293","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- Au16 Ba8 P30 -","- Au16 Ba8 P30 -","- Au64 Ba32 P120 -","4","0.5","","James Fulmer; Oleg I. Lebedev; Vladimir Roddatis; Derrick C. Kaseman; Sabyasachi Sen; Juli-Anna Dolyniuk; Kathleen Lee; Andrei V. Olenev; Kirill Kovnir","Clathrate Ba8Au16P30: The ""Gold Standard"" for Lattice Thermal Conductivity","Journal of the American Chemical Society","2013","135","","12313","12323","10.1021/ja4052679","powder diffraction","","0.41335","synchrotron","","","","","","","","","","","","","","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120323","11.735","0.003","7.9285","0.0018","12.782","0.003","90","","92.945","0.004","90","","1187.7","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 B10 F4 -","- C4 H12 B10 F4 -","- C16 H48 B40 F16 -","4","1","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.1202","0.0965","","","0.2955","0.3221","","","","","","1.14","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120324","7.4217","0.0017","14.077","0.003","12.067","0.003","90","","101.454","0.004","90","","1235.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 B10 F4 -","- C5 H12 B10 F4 -","- C20 H48 B40 F16 -","4","1","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.1047","0.0829","","","0.2389","0.2573","","","","","","1.061","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120325","21.924","0.004","7.5397","0.0013","9.2002","0.0013","90","","90","","90","","1520.8","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H14 B10 F4 -","- C10 H14 B10 F4 -","- C40 H56 B40 F16 -","4","1","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.077","0.0537","","","0.1266","0.142","","","","","","1.009","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120326","9.5043","0.0012","11.494","0.0014","18.438","0.002","90","","95.337","0.002","90","","2005.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 B10 F4 -","- C14 H26 B10 F4 -","- C56 H104 B40 F16 -","4","1","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.0708","0.0624","","","0.1653","0.1771","","","","","","1.049","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120327","7.1817","0.0016","8.6876","0.0018","24.463","0.005","90","","90","","90","","1526.3","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 B10 F4 -","- C10 H14 B10 F4 -","- C40 H56 B40 F16 -","4","1","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.1072","0.0578","","","0.1302","0.1575","","","","","","1.023","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120328","8.1749","0.0007","12.753","0.0009","13.7568","0.0011","110.6","0.001","102.586","0.002","98.737","0.001","1268.57","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H15 B10 F3 -","- C5 H15 B10 F3 -","- C20 H60 B40 F12 -","4","2","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.108","0.0903","","","0.2456","0.2709","","","","","","1.026","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120329","10.358","0.0008","10.9827","0.0008","12.1927","0.0009","90","","90","","90","","1387.03","0.18","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C6 H18 B10 F2 -","- C6 H18 B10 F2 -","- C24 H72 B40 F8 -","4","0.5","","Zaozao Qiu; Yangjian Quan; Zuowei Xie","Palladium-Catalyzed Selective Fluorination of o-Carboranes","Journal of the American Chemical Society","2013","135","","12192","12195","10.1021/ja405808t","","","0.71073","MoKα","","0.0636","0.0566","","","0.1505","0.1594","","","","","","1.099","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120330","10.255","0.0006","15.159","0.0011","24.5615","0.0014","90","","90","","90","","3818.2","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H18 Cl2 N2 O4 Si -","- C17 H18 Cl2 N2 O4 Si -","- C136 H144 Cl16 N16 O32 Si8 -","8","1","","Xingwei Guo; Herbert Mayr","Manifestation of Polar Reaction Pathways of 2,3-Dichloro-5,6-dicyano-p-benzoquinone","Journal of the American Chemical Society","2013","135","","12377","12387","10.1021/ja405890d","","","0.71073","MoKα","","0.0534","0.0365","","","0.0828","0.0935","","","","","","1.048","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120331","14.0747","0.0005","6.6201","0.0002","15.0699","0.0006","90","","93.3281","0.0018","90","","1401.78","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N2 O3 -","- C14 H10 Cl2 N2 O3 -","- C56 H40 Cl8 N8 O12 -","4","1","","Xingwei Guo; Herbert Mayr","Manifestation of Polar Reaction Pathways of 2,3-Dichloro-5,6-dicyano-p-benzoquinone","Journal of the American Chemical Society","2013","135","","12377","12387","10.1021/ja405890d","","","0.71073","MoKα","","0.0692","0.0435","","","0.0983","0.11","","","","","","1.047","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120332","9.058","0.0006","9.7925","0.0007","10.033","0.0006","71.359","0.003","79.007","0.003","64.462","0.003","759.4","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H27 Li3 -","- C15 H27 Li3 -","- C30 H54 Li6 -","2","1","","Chicheung Su; Russell Hopson; Paul G. Williard","Characterization of Cyclopentyllithium and Cyclopentyllithium Tetrahydrofuran Complex","Journal of the American Chemical Society","2013","135","","12400","12406","10.1021/ja4059102","","","0.71073","MoKα","","0.0595","0.0523","","","0.1392","0.147","","","","","","1.038","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120333","18.8947","0.0007","18.8947","0.0007","10.2755","0.0004","90","","90","","90","","3668.5","0.2","173","2","173","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C9 H17 Li O -","- C9 H17 Li O -","- C144 H272 Li16 O16 -","16","","","Chicheung Su; Russell Hopson; Paul G. Williard","Characterization of Cyclopentyllithium and Cyclopentyllithium Tetrahydrofuran Complex","Journal of the American Chemical Society","2013","135","","12400","12406","10.1021/ja4059102","","","0.71073","MoKα","","0.0867","0.0802","","","0.236","0.2431","","","","","","1.074","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120334","6.5321","0.0003","8.0627","0.0003","12.6859","0.0005","73.519","0.002","84.233","0.002","77.446","0.002","624.81","0.05","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C10 H17 B7 Fe -","- C10 H17 B7 Fe -","- C20 H34 B14 Fe2 -","2","1","","Brendan Gleeson; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Inorganic ansa-Metallocene Analogues: ansa-Ferratricarbadecaboranes","Journal of the American Chemical Society","2013","135","","12407","12413","10.1021/ja405977q","","","0.71073","MoKα","","0.0283","0.0236","","","0.0707","0.0827","","","","","","1.231","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120335","7.8737","0.0004","16.7333","0.001","12.7705","0.0006","90","","102.676","0.002","90","","1641.54","0.15","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 B14 Fe -","- C8 H22 B14 Fe -","- C32 H88 B56 Fe4 -","4","1","","Brendan Gleeson; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Inorganic ansa-Metallocene Analogues: ansa-Ferratricarbadecaboranes","Journal of the American Chemical Society","2013","135","","12407","12413","10.1021/ja405977q","","","0.71073","MoKα","","0.0284","0.0255","","","0.0658","0.068","","","","","","1.067","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120336","8.8907","0.0008","21.898","0.002","8.669","0.0008","90","","108.393","0.004","90","","1601.5","0.3","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 B14 Fe -","- C8 H22 B14 Fe -","- C32 H88 B56 Fe4 -","4","1","","Brendan Gleeson; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Inorganic ansa-Metallocene Analogues: ansa-Ferratricarbadecaboranes","Journal of the American Chemical Society","2013","135","","12407","12413","10.1021/ja405977q","","","0.71073","MoKα","","0.028","0.027","","","0.072","0.0728","","","","","","1.102","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120337","8.0019","0.0006","8.8512","0.0007","12.1961","0.001","99.761","0.003","96.347","0.004","105.058","0.003","811.15","0.11","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H22 B14 Fe -","- C8 H22 B14 Fe -","- C16 H44 B28 Fe2 -","2","1","","Brendan Gleeson; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Structural Characterizations of Inorganic ansa-Metallocene Analogues: ansa-Ferratricarbadecaboranes","Journal of the American Chemical Society","2013","135","","12407","12413","10.1021/ja405977q","","","0.71073","MoKα","","0.0328","0.0301","","","0.0829","0.0854","","","","","","1.228","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120338","10.794","0.002","11.871","0.002","14.7","0.003","79.745","0.002","86.649","0.002","78.006","0.002","1812.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H64 N2 O -","- C40 H64 N2 O -","- C80 H128 N4 O2 -","2","1","","Yan Li; Kartik Chandra Mondal; Herbert W. Roesky; Hongping Zhu; Peter Stollberg; Regine Herbst-Irmer; Dietmar Stalke; Diego M. Andrada","Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom","Journal of the American Chemical Society","2013","135","","12422","12428","10.1021/ja406112u","","","0.71073","MoKα","","0.0604","0.0453","","","0.1075","0.1137","","","","","","1.046","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120339","9.586","0.002","17.633","0.002","12.719","0.003","90","","101.871","0.001","90","","2103.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 Cl2 Ge N -","- C20 H31 Cl2 Ge N -","- C80 H124 Cl8 Ge4 N4 -","4","1","","Yan Li; Kartik Chandra Mondal; Herbert W. Roesky; Hongping Zhu; Peter Stollberg; Regine Herbst-Irmer; Dietmar Stalke; Diego M. Andrada","Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom","Journal of the American Chemical Society","2013","135","","12422","12428","10.1021/ja406112u","","","0.71073","MoKα","","0.0294","0.0264","","","0.07","0.0713","","","","","","1.089","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120340","14.934","0.002","14.779","0.002","19.118","0.003","90","","90","","90","","4219.5","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Cl2 Ge N -","- C20 H31 Cl2 Ge N -","- C160 H248 Cl16 Ge8 N8 -","8","1","","Yan Li; Kartik Chandra Mondal; Herbert W. Roesky; Hongping Zhu; Peter Stollberg; Regine Herbst-Irmer; Dietmar Stalke; Diego M. Andrada","Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom","Journal of the American Chemical Society","2013","135","","12422","12428","10.1021/ja406112u","","","0.71073","MoKα","","0.0441","0.0381","","","0.0949","0.0977","","","","","","1.08","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120341","9.29","0.002","12.091","0.002","19.902","0.003","94.809","0.004","98.576","0.004","97.669","0.004","2178.4","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H77 Ge N2 -","- C49 H77 Ge N2 -","- C98 H154 Ge2 N4 -","2","1","","Yan Li; Kartik Chandra Mondal; Herbert W. Roesky; Hongping Zhu; Peter Stollberg; Regine Herbst-Irmer; Dietmar Stalke; Diego M. Andrada","Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom","Journal of the American Chemical Society","2013","135","","12422","12428","10.1021/ja406112u","","","0.56086","AgKα","","0.0483","0.0391","","","0.0936","0.0971","","","","","","1.064","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120342","9.161","0.002","19.325","0.003","24.76","0.003","112.3","0.03","98.13","0.02","91.48","0.02","3999.7","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H69 Ge N2 -","- C43 H69 Ge N2 -","- C172 H276 Ge4 N8 -","4","2","","Yan Li; Kartik Chandra Mondal; Herbert W. Roesky; Hongping Zhu; Peter Stollberg; Regine Herbst-Irmer; Dietmar Stalke; Diego M. Andrada","Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom","Journal of the American Chemical Society","2013","135","","12422","12428","10.1021/ja406112u","","","0.71073","MoKα","","0.0384","0.0293","","","0.0713","0.0755","","","","","","1.025","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120343","14.036","0.002","9.7315","0.0016","44.837","0.008","90","","96.093","0.002","90","","6089.7","1.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","[KB-1]","","","- C36.75 H29.25 Cl2.25 N2 O3 -","- C36.75 H29.25 Cl2.25 N2 O3 -","- C294 H234 Cl18 N16 O24 -","8","4","","Keith W. Bentley; Christian Wolf","Stereodynamic Chemosensor with Selective Circular Dichroism and Fluorescence Readout for in Situ Determination of Absolute Configuration, Enantiomeric Excess, and Concentration of Chiral Compounds","Journal of the American Chemical Society","2013","135","","12200","12203","10.1021/ja406259p","","","0.71073","MoKα","","0.1388","0.0941","","","0.2204","0.244","","","","","","1.039","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120344","13.0538","0.0014","6.3146","0.0007","32.59","0.003","90","","92.8103","0.0014","90","","2683.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H31 N3 O3 Si -","- C29 H31 N3 O3 Si -","- C116 H124 N12 O12 Si4 -","4","2","","Xichen Xu; Peter Y. Zavalij; Michael P. Doyle","Catalytic Asymmetric Syntheses of Quinolizidines by Dirhodium-Catalyzed Dearomatization of Isoquinolinium/Pyridinium Methylides-The Role of Catalyst and Carbene Source","Journal of the American Chemical Society","2013","135","","12439","12447","10.1021/ja406482q","","","0.71073","MoKα","","0.0542","0.0493","","","0.1019","0.1045","","","","","","1","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120345","8.2912","0.0007","12.8974","0.001","9.5837","0.0008","90","","104.137","0.001","90","","993.79","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C48 H38 N6 O4 -","2","1","","Xichen Xu; Peter Y. Zavalij; Michael P. Doyle","Catalytic Asymmetric Syntheses of Quinolizidines by Dirhodium-Catalyzed Dearomatization of Isoquinolinium/Pyridinium Methylides-The Role of Catalyst and Carbene Source","Journal of the American Chemical Society","2013","135","","12439","12447","10.1021/ja406482q","","","0.71073","MoKα","","0.0392","0.0355","","","0.0677","0.0697","","","","","","1","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120346","20.4129","0.0003","13.095","0.0002","24.6162","0.0003","90","","110.069","0.002","90","","6180.54","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H62 B F24 Ir N P -","- C63 H62 B F24 Ir N P -","- C252 H248 B4 F96 Ir4 N4 P4 -","4","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","0.71073","MoKα","","0.0328","0.0248","","","0.0527","0.0559","","","","","","1.056","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4120347","11.6445","0.0006","12.5417","0.0005","16.0885","0.0006","81.879","0.003","88.741","0.003","79.475","0.004","2286.88","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H43 B F15 Ir N2 O -","- C51 H43 B F15 Ir N2 O -","- C102 H86 B2 F30 Ir2 N4 O2 -","2","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0281","0.0281","","","0.0732","0.0732","","","","","","1.124","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120348","11.2463","0.0004","23.0795","0.0006","25.3189","0.0006","64.391","0.002","88.146","0.002","78.446","0.002","5795.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65.5 H63 B F15 Ir N2 O0.5 -","- C63.5 H59 B F15 Ir N2 -","- C254 H236 B4 F60 Ir4 N8 -","4","2","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0341","0.0322","","","0.0793","0.0808","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120349","13.4101","0.0005","14.6938","0.0005","15.1398","0.0005","91.458","0.003","92.312","0.003","94.715","0.003","2969.47","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H57 B Cl3 F18 Ir N2 -","- C60 H57 B Cl3 F18 Ir N2 -","- C120 H114 B2 Cl6 F36 Ir2 N4 -","2","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0229","0.0223","","","0.0556","0.056","","","","","","1.023","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4120350","10.1453","0.0002","23.422","0.0004","21.0908","0.0003","90","","91.3572","0.001","90","","5010.26","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59.5 H72 B Ir N2 -","- C59.5 H72 B Ir N2 -","- C238 H288 B4 Ir4 N8 -","4","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","0.71073","MoKα","","0.0559","0.0381","","","0.0811","0.0869","","","","","","1.07","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120351","12.6075","0.0006","12.917","0.0006","15.9241","0.0008","82.28","0.004","84.241","0.004","84.873","0.004","2549.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H51 B F15 Li N2 O4 -","- C51 H47 B F15 Li N2 O3 -","- C102 H94 B2 F30 Li2 N4 O6 -","2","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0358","0.0338","","","0.0879","0.0893","","","","","","1.034","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120352","10.8689","0.0004","12.4084","0.0004","18.0129","0.0006","99.057","0.004","91.694","0.002","104.848","0.004","2312.7","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 B F15 N2 -","- C52 H44 B F15 N2 -","- C104 H88 B2 F30 N4 -","2","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0389","0.0361","","","0.0959","0.0985","","","","","","1.049","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120353","10.2681","0.0005","12.6386","0.0008","21.6789","0.001","74.112","0.005","88.624","0.004","81.879","0.005","2678.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H80 B Li N2 O3 -","- C60 H80 B Li N2 O3 -","- C120 H160 B2 Li2 N4 O6 -","2","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0526","0.049","","","0.1306","0.1338","","","","","","1.045","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120354","17.0725","0.0002","18.4346","0.0002","18.8946","0.0002","90","","107.405","0.002","90","","5674.33","0.13","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H53 B Cl6 F15 N2 Rh -","- C53 H47 B F15 N2 Rh -","- C212 H188 B4 F60 N8 Rh4 -","4","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0374","0.0355","","","0.0978","0.0989","","","","","","1.097","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120355","11.7736","0.0004","11.9723","0.0004","17.8593","0.0006","73.048","0.004","77.719","0.004","70.396","0.004","2249.92","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C47.5 H36 B Cl F15 N2 O2 Rh -","- C47.5 H36 B Cl F15 N2 O2 Rh -","- C95 H72 B2 Cl2 F30 N4 O4 Rh2 -","2","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","0.71073","MoKα","","0.0349","0.0276","","","0.0587","0.0617","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120356","10.7273","0.0003","21.919","0.0005","25.9304","0.0006","88.192","0.003","81.336","0.003","78.973","0.003","5916.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H55 B F15 Ir N2 -","- C51 H42 B F15 Ir N2 -","- C204 H168 B4 F60 Ir4 N8 -","4","2","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.0339","0.0325","","","0.077","0.0778","","","","","","1.035","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120357","25.0605","0.0014","38.2428","0.0012","10.73","0.0004","90","","90","","90","","10283.5","0.8","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C105 H102 B2 F30 Ir2 N4 O5 -","- C90 H70 B2 F30 Ir2 N4 -","- C360 H280 B8 F120 Ir8 N16 -","4","1","","Eugene L. Kolychev; Sabrina Kronig; Kai Brandhorst; Matthias Freytag; Peter G. Jones; Matthias Tamm","Iridium(I) Complexes with Anionic N-Heterocyclic Carbene Ligands as Catalysts for the Hydrogenation of Alkenes in Nonpolar Media","Journal of the American Chemical Society","2013","135","","12448","12459","10.1021/ja406529c","","","1.54184","CuKα","","0.06","0.0527","","","0.1226","0.1265","","","","","","1.024","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4120358","11.707","0.0013","38.76","0.005","12.0119","0.0014","90","","102.729","0.001","90","","5316.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F18 Mn Na O7 -","- C18 H9 F18 Mn Na O7 -","- C144 H72 F144 Mn8 Na8 O56 -","8","2","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","0.71073","Mo-Kα","","0.076","0.0471","","","0.1035","0.1139","","","","","","1.028","","","","has coordinates,has disorder","286259","2023-09-07","06:04:45",""
"4120359","18.045","0.002","18.045","0.002","12.6335","0.0014","90","","90","","120","","3562.6","0.7","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H3 F18 Mn Na O6 -","- C15 H3 F18 Mn Na O6 -","- C90 H18 F108 Mn6 Na6 O36 -","6","0.5","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","0.71073","Mo-Kα","","0.0788","0.0516","","","0.1066","0.1187","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120360","18.0016","0.0004","18.0016","0.0004","12.3451","0.0003","90","","90","","120","","3464.55","0.14","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H3 F18 Fe Na O6 -","- C15 H3 F18 Fe Na O6 -","- C90 H18 F108 Fe6 Na6 O36 -","6","0.5","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","1.54178","CuKα","","0.0741","0.0501","","","0.0771","0.0852","","","","","","1.099","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120361","17.958","0.005","17.958","0.005","12.531","0.003","90","","90","","120","","3499.7","1.6","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H3 Co F18 Na O6 -","- C15 H3 Co F18 Na O6 -","- C90 H18 Co6 F108 Na6 O36 -","6","0.5","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","0.71073","Mo-Kα","","0.1008","0.0565","","","0.1292","0.1537","","","","","","1.032","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120362","17.884","0.004","17.884","0.004","12.391","0.003","90","","90","","120","","3432.2","1.4","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C15 H3 F18 Na Ni O6 -","- C15 H3 F18 Na Ni O6 -","- C90 H18 F108 Na6 Ni6 O36 -","6","0.5","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","0.71073","Mo-Kα","","0.1335","0.106","","","0.222","0.2334","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120363","11.823","0.004","12.025","0.004","19.053","0.006","75.447","0.004","72.426","0.003","75.84","0.003","2457.4","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H12 F36 Mn2 Na2 O13 -","- C33 H12 F36 Mn2 Na2 O13 -","- C66 H24 F72 Mn4 Na4 O26 -","2","1","","Zheng Wei; Alexander S. Filatov; Evgeny V. Dikarev","Volatile Heterometallic Precursors for the Low-Temperature Synthesis of Prospective Sodium Ion Battery Cathode Materials","Journal of the American Chemical Society","2013","135","","12216","12219","10.1021/ja4069529","","","0.71073","Mo-Kα","","0.1206","0.0867","","","0.2068","0.227","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120364","47.453","0.01","48.537","0.01","38.13","0.008","90","","127.68","0.03","90","","69506","4","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","M12L24 sphere 2a from ligand 1a and Pd2+","","","- C456 H264 B20 F54 N72 O12.4 Pd12 -","- C456 H264 B20 F54 N72 O12.4 Pd12 -","- C912 H528 B40 F108 N144 O24.8 Pd24 -","2","0.25","","Kate Harris; Qing-Fu Sun; Sota Sato; Makoto Fujita","M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization","Journal of the American Chemical Society","2013","135","","12497","12499","10.1021/ja4043609","","","1","synchrotron","","0.2366","0.2149","","","0.5329","0.5562","","","","","","2.561","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120365","61.994","0.012","61.977","0.012","61.977","0.012","90","","90","","90","","238128","8","296","2","296","2","","","","","","","","7","F m m m","-F 2 2","69","M12L24 sphere 2b from ligand 1b and Pd2+","","","- C456 H264 B18 F36 N72 O267.2 Pd12 -","- C456 H264 B18 F36 N72 O267.2 Pd12 -","- C1824 H1056 B72 F144 N288 O1068.8 Pd48 -","4","0.125","","Kate Harris; Qing-Fu Sun; Sota Sato; Makoto Fujita","M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization","Journal of the American Chemical Society","2013","135","","12497","12499","10.1021/ja4043609","","","1","synchrotron","","0.3084","0.2432","","","0.543","0.5713","","","","","","2.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120366","61.066","0.012","61.073","0.012","43.152","0.009","90","","135.02","0.03","90","","113758","7","296","2","296","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","M12L24 sphere 2b from ligand 1a and Pd2+ complexed with Ag+","","","- C456 H264 Ag19.2 B23 F92 N110.4 Pd12 -","- C456 H264 Ag19.2 B23 F92 N110.4 Pd12 -","- C912 H528 Ag38.4 B46 F184 N220.8 Pd24 -","2","0.25","","Kate Harris; Qing-Fu Sun; Sota Sato; Makoto Fujita","M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for Non-Covalent Functionalization","Journal of the American Chemical Society","2013","135","","12497","12499","10.1021/ja4043609","","","0.75","synchrotron","","0.2036","0.1615","","","0.4424","0.465","","","","","","1.798","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120367","22.135","0.005","11.333","0.003","22.798","0.006","90","","109.147","0.007","90","","5403","2","120","2","120","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Yb@C2(13)-C84-Ad","YbC84(II)Ad","","- C68.67 H13.33 Cl2 Yb0.67 -","- C68.7227 H13.3333 Cl2 Yb0.613333 -","- C412.336 H80 Cl12 Yb3.68 -","6","1.5","","Wenjun Zhang; Mitsuaki Suzuki; Yunpeng Xie; Lipiao Bao; Wenting Cai; Zdenek Slanina; Shigeru Nagase; Ming Xu; Takeshi Akasaka; Xing Lu","Molecular Structure and Chemical Property of a Divalent Metallofullerene Yb@C2(13)-C84","Journal of the American Chemical Society","2013","135","","12730","12735","10.1021/ja405223t","","","1","synchrotron","","0.2056","0.1545","","","0.414","0.4395","","","","","","1.624","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120368","25.2813","0.0008","15.0472","0.0005","20.108","0.0006","90","","96.34","0.002","90","","7602.6","0.4","90","","90","","","","","","","","","6","C 1 2/m 1","-C 2y","12","Yb@C2(13)-C84/NiOEP/1.2carbon disulfide/0.8benzene","","","- C128 H48.8 N4 Ni S2.4 Yb -","- C125.5 H46.4 N4 Ni S2.2 Yb0.98 -","- C502 H185.6 N16 Ni4 S8.8 Yb3.92 -","4","0.5","","Wenjun Zhang; Mitsuaki Suzuki; Yunpeng Xie; Lipiao Bao; Wenting Cai; Zdenek Slanina; Shigeru Nagase; Ming Xu; Takeshi Akasaka; Xing Lu","Molecular Structure and Chemical Property of a Divalent Metallofullerene Yb@C2(13)-C84","Journal of the American Chemical Society","2013","135","","12730","12735","10.1021/ja405223t","","","0.71073","MoKα","","0.0903","0.0784","","","0.2306","0.2438","","","","","","1.074","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120369","20.2776","0.0008","12.0433","0.0005","14.5105","0.0007","90","","108.579","0.003","90","","3358.9","0.3","100","2","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H54 F24 N6 P4 -","- C64 H54 F24 N6 P4 -","- C128 H108 F48 N12 P8 -","2","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.0678","0.0452","","","0.1093","0.1205","","","","","","1.041","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120370","10.0609","0.0003","11.2203","0.0004","21.7538","0.0007","77.9314","0.0018","85.6033","0.0018","65.5596","0.0016","2186.11","0.13","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C85 H69 F24 N6 P4 -","- C85 H69 F24 N6 P4 -","- C85 H69 F24 N6 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","0.71073","MoKα","","0.1286","0.0898","","","0.2662","0.2967","","","","","","1.059","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120371","10.2801","0.0003","11.3689","0.0003","21.5399","0.0006","78.6698","0.0013","84.9093","0.0013","64.4988","0.0013","2227.88","0.11","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H80 F24 N8 P4 -","- C100 H80 F24 N8 P4 -","- C100 H80 F24 N8 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","0.71073","MoKα","","0.1023","0.091","","","0.2082","0.2134","","","","","","1.18","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120372","10.415","0.007","11.339","0.009","21.467","0.014","79.584","0.018","85.427","0.013","65.79","0.02","2274","3","100","2","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H69 F24 N7 P4 -","- C84 H69 F24 N7 P4 -","- C84 H69 F24 N7 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.1348","0.106","","","0.3191","0.3515","","","","","","1.422","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120373","10.4803","0.0004","11.3488","0.0005","21.4424","0.0009","80.251","0.003","86.771","0.003","64.519","0.002","2268.62","0.17","100","2","100.12","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H84 F24 N8 P4 -","- C104 H84 F24 N8 P4 -","- C104 H84 F24 N8 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.0595","0.0447","","","0.1137","0.1231","","","","","","1.021","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120374","10.4796","0.0003","11.3841","0.0003","21.5563","0.0006","80.426","0.002","86.4069","0.0017","63.3018","0.0016","2265.29","0.11","100","2","99.95","","","","","","","","","5","P -1","-P 1","2","","","","- C104 H84 F24 N8 P4 -","- C104 H84 F24 N8 P4 -","- C104 H84 F24 N8 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.0636","0.0534","","","0.1526","0.1608","","","","","","1.051","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120375","14.4428","0.0006","38.4816","0.0014","12.1196","0.0004","90","","90","","90","","6735.9","0.4","100","2","99.99","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C67 H54 F24 N6 O4 P4 -","- C67 H54 F24 N6 O4 P4 -","- C268 H216 F96 N24 O16 P16 -","4","","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.098","0.0791","","","0.2195","0.2394","","","","","","1.079","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120376","14.9134","0.0006","38.0668","0.0017","12.1063","0.0005","90","","90","","90","","6872.8","0.5","100","2","100.01","","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C70 H54 F24 N6 O4 P4 -","- C70 H54 F24 N6 O4 P4 -","- C280 H216 F96 N24 O16 P16 -","4","","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.0732","0.0422","","","0.0994","0.1151","","","","","","1.034","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120377","20.0817","0.0007","12.1032","0.0004","14.4581","0.0006","90","","106.223","0.003","90","","3374.2","0.2","100","2","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H55 F24 N5 O P4 -","- C69 H55 F24 N5 O P4 -","- C138 H110 F48 N10 O2 P8 -","2","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.0758","0.0624","","","0.1711","0.1822","","","","","","1.086","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120378","9.7902","0.0004","14.1309","0.0006","27.6171","0.0012","90","","95.911","0.002","90","","3800.4","0.3","100","2","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H58 Cl6 F24 N4 O2 P4 -","- C76 H58 Cl6 F24 N4 O2 P4 -","- C152 H116 Cl12 F48 N8 O4 P8 -","2","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","0.71073","MoKα","","0.1012","0.0722","","","0.2057","0.2347","","","","","","1.017","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120379","10.4059","0.0003","11.3697","0.0003","21.2021","0.0005","81.1853","0.0012","86.2716","0.0013","64.9951","0.0011","2246.5","0.1","100","2","100.03","","","","","","","","","6","P -1","-P 1","2","","","","- C97 H85.5 F24 N12.5 O4 P4 -","- C97 H85.5 F24 N12.5 O4 P4 -","- C97 H85.5 F24 N12.5 O4 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","0.71073","MoKα","","0.1454","0.1051","","","0.2775","0.3111","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","176467","2020-10-21","18:00:00",""
"4120380","10.7789","0.0003","11.107","0.0003","21.1327","0.0005","81.978","0.001","88.551","0.001","67.138","0.001","2307.31","0.11","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C98 H78 Cl6 F24 N8 P4 -","- C98 H78 Cl6 F24 N8 P4 -","- C98 H78 Cl6 F24 N8 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.047","0.0435","","","0.1208","0.1239","","","","","","1.054","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120381","10.8213","0.0003","13.5278","0.0003","21.903","0.0006","88.5705","0.0013","86.4287","0.0012","72.7606","0.0011","3056.28","0.14","100","2","99.98","","","","","","","","","6","P -1","-P 1","2","","","","- C112 H116 F24 N12 O10 P4 -","- C112 H116 F24 N12 O10 P4 -","- C112 H116 F24 N12 O10 P4 -","1","0.5","","Michal Juríček; Jonathan C. Barnes; Edward J. Dale; Wei-Guang Liu; Nathan L. Strutt; Carson J. Bruns; Nicolaas A. Vermeulen; Kala C. Ghooray; Amy A. Sarjeant; Charlotte L. Stern; Youssry Y. Botros; William A. Goddard; J. Fraser Stoddart","Ex2Box: Interdependent Modes of Binding in a Two-Nanometer-Long Synthetic Receptor","Journal of the American Chemical Society","2013","135","","12736","12746","10.1021/ja4052763","","","1.54178","CuKα","","0.0602","0.0544","","","0.1563","0.162","","","","","","1.095","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120382","23.402","0.002","5.3155","0.0005","11.6756","0.001","90","","110.802","0.001","90","","1357.7","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis-1","cis-dibromooctafluoroazobenzene polymorph 1","","- C12 Br2 F8 N2 -","- C12 Br2 F8 N2 -","- C48 Br8 F32 N8 -","4","0.5","","Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett","Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes","Journal of the American Chemical Society","2013","135","","12556","12559","10.1021/ja4063019","","","0.71073","MoKα","","0.0216","0.02","","","0.0513","0.052","","","","","","1.06","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120383","13.707","0.003","5.597","0.0011","18.138","0.003","90","","103.254","0.002","90","","1354.4","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis-1a","cis-dibromooctafluoroazobenzene, polymorph 2","","- C12 Br2 F8 N2 -","- C12 Br2 F8 N2 -","- C48 Br8 F32 N8 -","4","0.5","","Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett","Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes","Journal of the American Chemical Society","2013","135","","12556","12559","10.1021/ja4063019","","","0.71073","MoKα","","0.021","0.0183","","","0.0445","0.0455","","","","","","1.063","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120384","24.454","0.002","5.3242","0.0005","11.8259","0.0011","90","","109.769","0.001","90","","1449","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","cis-2","cis-diiodooctafluoroazobenzene","","- C12 F8 I2 N2 -","- C12 F8 I2 N2 -","- C48 F32 I8 N8 -","4","0.5","","Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett","Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes","Journal of the American Chemical Society","2013","135","","12556","12559","10.1021/ja4063019","","","0.71073","MoKα","","0.0266","0.0219","","","0.0541","0.0563","","","","","","1.047","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120385","10.2501","0.0016","7.6361","0.0012","8.7415","0.0014","90","","108.01","0.002","90","","650.68","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","trans-1","trans-dibromooctafluoroazobenzene","","- C12 Br2 F8 N2 -","- C12 Br2 F8 N2 -","- C24 Br4 F16 N4 -","2","0.5","","Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett","Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes","Journal of the American Chemical Society","2013","135","","12556","12559","10.1021/ja4063019","","","0.71073","MoKα","","0.0191","0.0175","","","0.0454","0.0462","","","","","","1.073","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120386","10.324","0.001","5.968","0.0006","24.112","0.002","90","","100.176","0.001","90","","1462.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","trans-2","trans-azo(4-iodo-2,3,5,6-tetrafluoro)benzene","","- C12 F8 I2 N2 -","- C12 F8 I2 N2 -","- C48 F32 I8 N8 -","4","1","","Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett","Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes","Journal of the American Chemical Society","2013","135","","12556","12559","10.1021/ja4063019","","","0.71073","MoKα","","0.0369","0.0273","","","0.0577","0.0613","","","","","","1.053","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120387","8.894","0.018","7.79","0.016","10.57","0.02","90","","109.553","0.019","90","","690","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","cis-1, irradiated","","","- C12 H Br2 F8 N2 -","- C12 Br2 F8 N2 -","- C24 Br4 F16 N4 -","2","0.5","","Oleksandr S. Bushuyev; Anna Tomberg; Tomislav Friščić; Christopher J. Barrett","Shaping Crystals with Light: Crystal-to-Crystal Isomerization and Photomechanical Effect in Fluorinated Azobenzenes","Journal of the American Chemical Society","2013","135","","12556","12559","10.1021/ja4063019","","","0.71073","MoKα","","0.1293","0.1169","","","0.2855","0.3035","","","","","","1.287","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120388","15.5832","0.0008","15.5832","0.0008","15.5832","0.0008","113.28","","113.28","","113.28","","2416.9","0.2","200","2","200","2","","","","","","","","4","R -3 :R","-P 3*","148","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C90 H114 N18 O24 -","6","1","","Jaeyune Ryu; Jaesung Kwak; Kwangmin Shin; Donggun Lee; Sukbok Chang","Ir(III)-Catalyzed Mild C-H Amidation of Arenes and Alkenes: An Efficient Usage of Acyl Azides as the Nitrogen Source","Journal of the American Chemical Society","2013","135","","12861","12868","10.1021/ja406383h","","","0.71073","MoKα","","0.0979","0.052","","","0.1416","0.1836","","","","","","0.925","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120389","16.574","0.002","16.933","0.002","17.319","0.002","109.424","0.002","93.059","0.003","116.144","0.002","3998.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45.5 H59 N2 O3 P Pd -","- C45.5 H59 N2 O3 P Pd -","- C182 H236 N8 O12 P4 Pd4 -","4","2","","M. Alexander Düfert; Kelvin L. Billingsley; Stephen L. Buchwald","Suzuki-Miyaura Cross-Coupling of Unprotected, Nitrogen-Rich Heterocycles: Substrate Scope and Mechanistic Investigation","Journal of the American Chemical Society","2013","135","","12877","12885","10.1021/ja4064469","","","0.71073","MoKα","","0.0563","0.0369","","","0.0809","0.0898","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120390","21.2344","0.0015","12.7861","0.0009","22.3397","0.0015","90","","94.007","0.001","90","","6050.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C65 H84 Cl2 O6 P2 Pd2 -","- C65 H84 Cl2 O6 P2 Pd2 -","- C260 H336 Cl8 O24 P8 Pd8 -","4","1","","M. Alexander Düfert; Kelvin L. Billingsley; Stephen L. Buchwald","Suzuki-Miyaura Cross-Coupling of Unprotected, Nitrogen-Rich Heterocycles: Substrate Scope and Mechanistic Investigation","Journal of the American Chemical Society","2013","135","","12877","12885","10.1021/ja4064469","","","0.71073","MoKα","","0.0294","0.0225","","","0.0552","0.0608","","","","","","1.093","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120391","21.025","0.004","3.9199","0.0009","18.035","0.004","90","","102.754","0.016","90","","1449.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H4 B2 Br2 Cl4 -","- C12 H4 B2 Br2 Cl4 -","- C48 H16 B8 Br8 Cl16 -","4","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.1103","0.0734","","","0.1759","0.1989","","","","","","0.917","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120392","23.229","0.003","23.229","0.003","9.9083","0.0016","90","","90","","90","","5346.4","1.3","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C30 H28 B2 Br2 -","- C30 H28 B2 Br2 -","- C240 H224 B16 Br16 -","8","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.1458","0.0678","","","0.1303","0.1608","","","","","","0.947","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120393","11.9805","0.0015","11.5699","0.001","10.2947","0.001","90","","106.656","0.008","90","","1367.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 B2 Cl4 -","- C30 H26 B2 Cl4 -","- C60 H52 B4 Cl8 -","2","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.0749","0.0674","","","0.2084","0.2132","","","","","","1.111","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120394","9.5641","0.0012","9.7285","0.0011","13.4353","0.0016","105.904","0.009","93.977","0.01","116.008","0.009","1054.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H40 B2 Cl6 -","- C44 H40 B2 Cl6 -","- C44 H40 B2 Cl6 -","1","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.1191","0.0791","","","0.207","0.229","","","","","","1.018","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120395","11.485","0.003","12.106","0.003","12.699","0.003","80.93","0.02","77.573","0.018","70.65","0.02","1619.7","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 B2 S2 -","- C38 H34 B2 S2 -","- C76 H68 B4 S4 -","2","1","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.2144","0.0872","","","0.1595","0.2054","","","","","","0.916","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120396","12.195","0.002","12.964","0.002","13.539","0.002","105.397","0.012","95.611","0.014","97.723","0.014","2024.9","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 B2 S4 -","- C46 H38 B2 S4 -","- C92 H76 B4 S8 -","2","1","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.1688","0.0815","","","0.161","0.1917","","","","","","0.979","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120397","8.7811","0.0005","30.8951","0.0013","14.718","0.0007","90","","90.672","0.004","90","","3992.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H52 B2 S2 -","- C46 H52 B2 S2 -","- C184 H208 B8 S8 -","4","1","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.1368","0.1123","","","0.278","0.292","","","","","","1.083","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120398","11.8177","0.0004","14.8184","0.0005","18.1562","0.0007","90","","90","","90","","3179.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H34 B2 S2 -","- C38 H34 B2 S2 -","- C152 H136 B8 S8 -","4","1","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.0531","0.0494","","","0.1277","0.1301","","","","","","1.031","","","","has coordinates,has disorder","178980","2020-10-21","18:00:00",""
"4120399","11.459","0.002","13.621","0.003","16.063","0.004","71.605","0.018","89.097","0.019","81.899","0.017","2354.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H86 B2 Cl12 N4 -","- C106 H86 B2 Cl12 N4 -","- C106 H86 B2 Cl12 N4 -","1","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.3566","0.1507","","","0.2826","0.3813","","","","","","0.953","","","","has coordinates","178980","2020-10-21","18:00:00",""
"4120400","22.998","0.003","22.998","0.003","9.8225","0.0013","90","","90","","90","","5195.2","1.2","173","2","173","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C32 H28 Br2 -","- C32 H28 Br2 -","- C256 H224 Br16 -","8","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.1252","0.0732","","","0.1272","0.1415","","","","","","1.116","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120401","8.7038","0.0009","9.9052","0.001","11.359","0.0011","83.376","0.008","84.245","0.008","73.208","0.008","928.97","0.17","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H42 S2 -","- C47 H42 S2 -","- C47 H42 S2 -","1","0.5","","Christian Reus; Sabine Weidlich; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","C-Functionalized, Air- and Water-Stable 9,10-Dihydro-9,10-diboraanthracenes: Efficient Blue to Red Emitting Luminophores","Journal of the American Chemical Society","2013","135","","12892","12907","10.1021/ja406766e","","","0.71073","MoKα","","0.0792","0.0504","","","0.1205","0.1319","","","","","","0.949","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120402","18.7389","0.0014","6.0768","0.0004","21.691","0.0017","90","","112.912","0.002","90","","2275.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 O -","- C14 H18 O -","- C112 H144 O8 -","8","1","","Álvaro Gutiérrez-Bonet; Areli Flores-Gaspar; Ruben Martin","Fe-Catalyzed Regiodivergent [1,2]-Shift of α-Aryl Aldehydes","Journal of the American Chemical Society","2013","135","","12576","12579","10.1021/ja4068707","","","0.71073","MoKα","","0.0537","0.0498","","","0.1392","0.1421","","","","","","1.128","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120403","10.1059","0.0005","16.9341","0.0007","18.0259","0.0009","90","","92.838","0.002","90","","3081.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 B Fe O3 P2 -","- C33 H41 B Fe O3 P2 -","- C132 H164 B4 Fe4 O12 P8 -","4","1","","Daniel L. M. Suess; Jonas C. Peters","A CO-Derived Iron Dicarbyne That Releases Olefin upon Hydrogenation","Journal of the American Chemical Society","2013","135","","12580","12583","10.1021/ja406874k","","","0.71073","MoKα","","0.0499","0.0302","","","0.0871","0.0921","","","","","","1.043","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120404","16.8731","0.001","9.0298","0.0005","21.5015","0.0012","90","","110.704","0.002","90","","3064.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 B Fe O2 P2 -","- C32 H41 B Fe O2 P2 -","- C128 H164 B4 Fe4 O8 P8 -","4","1","","Daniel L. M. Suess; Jonas C. Peters","A CO-Derived Iron Dicarbyne That Releases Olefin upon Hydrogenation","Journal of the American Chemical Society","2013","135","","12580","12583","10.1021/ja406874k","","","0.71073","MoKα","","0.0927","0.0528","","","0.1146","0.132","","","","","","1.075","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120405","9.5324","0.0006","9.717","0.0007","17.889","0.0016","98.981","0.003","99.435","0.003","105.95","0.002","1535.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H43 B Fe O2 P2 -","- C32 H43 B Fe O2 P2 -","- C64 H86 B2 Fe2 O4 P4 -","2","1","","Daniel L. M. Suess; Jonas C. Peters","A CO-Derived Iron Dicarbyne That Releases Olefin upon Hydrogenation","Journal of the American Chemical Society","2013","135","","12580","12583","10.1021/ja406874k","","","0.71073","MoKα","","0.0515","0.0333","","","0.0924","0.0976","","","","","","1.015","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120406","16.736","0.003","11.266","0.002","31.692","0.009","90","","92.526","0.01","90","","5970","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H81 B Fe K O12 P2 -","- C60 H81 B Fe K O12 P2 -","- C240 H324 B4 Fe4 K4 O48 P8 -","4","1","","Daniel L. M. Suess; Jonas C. Peters","A CO-Derived Iron Dicarbyne That Releases Olefin upon Hydrogenation","Journal of the American Chemical Society","2013","135","","12580","12583","10.1021/ja406874k","","","0.71073","MoKα","","0.0807","0.0375","","","0.0756","0.0833","","","","","","0.919","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120407","14.3954","0.0014","14.751","0.0012","24.5846","0.0014","96.728","0.004","96.954","0.002","115.227","0.002","4604.3","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H129 B Fe K2 O23 P2 -","- C92 H129 B Fe K2 O23 P2 -","- C184 H258 B2 Fe2 K4 O46 P4 -","2","1","","Daniel L. M. Suess; Jonas C. Peters","A CO-Derived Iron Dicarbyne That Releases Olefin upon Hydrogenation","Journal of the American Chemical Society","2013","135","","12580","12583","10.1021/ja406874k","","","0.71073","MoKα","","0.0857","0.0472","","","0.1091","0.1242","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120408","12.6336","0.0012","18.0101","0.0017","18.2534","0.0013","90.693","0.002","103.06","0.003","90.701","0.003","4045","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H59 B Fe O2 P2 Si2 -","- C38 H59 B Fe O2 P2 Si2 -","- C152 H236 B4 Fe4 O8 P8 Si8 -","4","2","","Daniel L. M. Suess; Jonas C. Peters","A CO-Derived Iron Dicarbyne That Releases Olefin upon Hydrogenation","Journal of the American Chemical Society","2013","135","","12580","12583","10.1021/ja406874k","","","0.71073","MoKα","","0.0688","0.0379","","","0.0907","0.0984","","","","","","0.948","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120409","16.815","0.002","16.251","0.0013","17.682","0.0013","90","","91.7","0.003","90","","4829.7","0.8","230","1","230","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris-284 (Dana)","","","- C21 H24 Cl3 N3 Ti -","- C21 H24 Cl3 N3 Ti -","- C168 H192 Cl24 N24 Ti8 -","8","2","","Dana Shoken; Manab Sharma; Mark Botoshansky; Matthias Tamm; Moris S. Eisen","Mono(imidazolin-2-iminato) Titanium Complexes for Ethylene Polymerization at Low Amounts of Methylaluminoxane","Journal of the American Chemical Society","2013","135","","12592","12595","10.1021/ja406925z","","","0.71073","MoKα","","0.2104","0.1802","","","0.4719","0.4927","","","","","","3.399","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120410","9.782","0.002","12.497","0.002","25.54","0.005","88.17","0.02","84.97","0.02","80.52","0.02","3067.2","1","240","2","240","2","","","","","","","","4","P -1","-P 1","2","Moris-216 (Manab)","","","- C30 H45 N3 Ti -","- C30 H45 N3 Ti -","- C120 H180 N12 Ti4 -","4","2","","Dana Shoken; Manab Sharma; Mark Botoshansky; Matthias Tamm; Moris S. Eisen","Mono(imidazolin-2-iminato) Titanium Complexes for Ethylene Polymerization at Low Amounts of Methylaluminoxane","Journal of the American Chemical Society","2013","135","","12592","12595","10.1021/ja406925z","","","0.71073","MoKα","","0.169","0.0596","","","0.1054","0.1286","","","","","","0.855","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120411","9.441","0.002","9.489","0.002","19.86","0.004","92.5","0.02","95.35","0.03","112.65","0.03","1628.7","0.7","240","2","240","2","","","","","","","","5","P -1","-P 1","2","Moris-212 (Manab)","","","- C30 H40 Cl3 N3 Ti -","- C30 H36 Cl3 N3 Ti -","- C60 H72 Cl6 N6 Ti2 -","2","1","","Dana Shoken; Manab Sharma; Mark Botoshansky; Matthias Tamm; Moris S. Eisen","Mono(imidazolin-2-iminato) Titanium Complexes for Ethylene Polymerization at Low Amounts of Methylaluminoxane","Journal of the American Chemical Society","2013","135","","12592","12595","10.1021/ja406925z","","","0.71073","MoKα","","0.0977","0.0529","","","0.1399","0.1559","","","","","","0.918","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120412","9.512","0.002","9.59","0.002","19.951","0.005","96.54","0.03","95.29","0.02","112.14","0.03","1656.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Moris-215 (Manab)","","","- C31 H47 Cl N3 O0.5 Ti -","- C31 H47 Cl N3 O0.5 Ti -","- C62 H94 Cl2 N6 O Ti2 -","2","1","","Dana Shoken; Manab Sharma; Mark Botoshansky; Matthias Tamm; Moris S. Eisen","Mono(imidazolin-2-iminato) Titanium Complexes for Ethylene Polymerization at Low Amounts of Methylaluminoxane","Journal of the American Chemical Society","2013","135","","12592","12595","10.1021/ja406925z","","","0.71073","MoKα","","0.1758","0.0824","","","0.2225","0.2555","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120413","7.7457","0.001","9.8404","0.0012","10.4432","0.0013","79.17","0.006","74.612","0.006","70.558","0.005","719.34","0.16","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H53 N2 Ni O3 -","- C28 H56 N2 Ni O2 -","- C28 H56 N2 Ni O2 -","1","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films","Journal of the American Chemical Society","2013","135","","12588","12591","10.1021/ja407014w","","","0.71073","MoKα","","0.027","0.0252","","","0.0885","0.0911","","","","","","0.792","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120414","7.74","0.0007","9.8222","0.0009","10.4549","0.0009","79.22","0.004","74.838","0.004","70.499","0.004","718.79","0.11","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H51 Co N3 O2 -","- C28 H56 Co N2 O2 -","- C28 H56 Co N2 O2 -","1","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films","Journal of the American Chemical Society","2013","135","","12588","12591","10.1021/ja407014w","","","0.71073","MoKα","","0.0304","0.0263","","","0.0929","0.0985","","","","","","0.812","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120415","9.1671","0.0005","16.15","0.0009","20.4953","0.0011","90","","90","","90","","3034.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H56 Mn N O -","- C28 H56 Mn N2 O2 -","- C112 H224 Mn4 N8 O8 -","4","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films","Journal of the American Chemical Society","2013","135","","12588","12591","10.1021/ja407014w","","","0.71073","MoKα","","0.0285","0.0249","","","0.0819","0.0881","","","","","","0.782","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120416","7.7205","0.0008","9.8256","0.0011","10.5948","0.0012","80.459","0.005","76.204","0.005","70.773","0.005","733.64","0.14","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C24 H53 Cr N6 O2 -","- C28 H55 Cr N2 O2 -","- C28 H55 Cr N2 O2 -","1","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Volatile and Thermally Stable Mid to Late Transition Metal Complexes Containing α-Imino Alkoxide Ligands, a New Strongly Reducing Coreagent, and Thermal Atomic Layer Deposition of Ni, Co, Fe, and Cr Metal Films","Journal of the American Chemical Society","2013","135","","12588","12591","10.1021/ja407014w","","","0.71073","MoKα","","0.0328","0.0303","","","0.092","0.0958","","","","","","0.612","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120417","25.841","0.008","12.128","0.004","14.828","0.005","90","","123.316","0.01","90","","3883","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H23 Cu F5 K N2 O3 -","- C12 H23 Cu F5 K N2 O3 -","- C96 H184 Cu8 F40 K8 N16 O24 -","8","1","","Anton Lishchynskyi; Vladimir V. Grushin","Cupration of C2F5H: Isolation, Structure, and Synthetic Applications of [K(DMF)2][(t-BuO)Cu(C2F5)]. Highly Efficient Pentafluoroethylation of Unactivated Aryl Bromides","Journal of the American Chemical Society","2013","135","","12584","12587","10.1021/ja407017j","","","0.71073","MoKα","","0.0786","0.0478","","","0.1104","0.1286","","","","","","1.048","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120418","23.7726","0.0006","8.5915","0.0002","16.3896","0.0004","90","","103.285","0.001","90","","3257.87","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 F5 N2 Pd -","- C14.06 H21.16 F5 N2 Pd -","- C112.48 H169.28 F40 N16 Pd8 -","8","1","","Anton Lishchynskyi; Vladimir V. Grushin","Cupration of C2F5H: Isolation, Structure, and Synthetic Applications of [K(DMF)2][(t-BuO)Cu(C2F5)]. Highly Efficient Pentafluoroethylation of Unactivated Aryl Bromides","Journal of the American Chemical Society","2013","135","","12584","12587","10.1021/ja407017j","","","0.71073","MoKα","","0.0262","0.0224","","","0.0538","0.0557","","","","","","1.049","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120419","22.499","0.004","5.9223","0.001","7.5985","0.0013","90","","90","","90","","1012.5","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C12 H7 F5 -","- C12 H7 F5 -","- C48 H28 F20 -","4","1","","Anton Lishchynskyi; Vladimir V. Grushin","Cupration of C2F5H: Isolation, Structure, and Synthetic Applications of [K(DMF)2][(t-BuO)Cu(C2F5)]. Highly Efficient Pentafluoroethylation of Unactivated Aryl Bromides","Journal of the American Chemical Society","2013","135","","12584","12587","10.1021/ja407017j","","","0.71073","MoKα","","0.051","0.0407","","","0.0815","0.0862","","","","","","1.086","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120420","8.3759","0.0011","10.6746","0.0014","11.5652","0.0015","90","","90","","90","","1034","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","ZW03183","toste79","","- C14 H12 O2 -","- C14 H12 O2 -","- C56 H48 O8 -","4","1","","Weiwei Zi; F. Dean Toste","Gold(I)-Catalyzed Enantioselective Carboalkoxylation of Alkynes","Journal of the American Chemical Society","2013","135","","12600","12603","10.1021/ja407150h","","","1.54178","CuKα","","0.0247","0.0245","","","0.0656","0.0658","","","","","","1.072","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4120421","17.083","0.002","18.098","0.003","7.4267","0.0011","90","","90","","90","","2296.1","0.6","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H12 B N O2 -","- C12 H12 B N O2 -","- C96 H96 B8 N8 O16 -","8","1","","Eric R. Abbey; Ashley N. Lamm; Andrew W. Baggett; Lev N. Zakharov; Shih-Yuan Liu","Protecting Group-Free Synthesis of 1,2-Azaborines: A Simple Approach to the Construction of BN-Benzenoids","Journal of the American Chemical Society","2013","135","","12908","12913","10.1021/ja4073436","","","0.71073","MoKα","","0.0736","0.0431","","","0.0867","0.1016","","","","","","1.053","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120422","29.5015","0.0015","7.4179","0.0004","28.8636","0.0014","90","","112.728","0.001","90","","5826","0.5","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 B N -","- C18 H18 B N -","- C288 H288 B16 N16 -","16","2","","Eric R. Abbey; Ashley N. Lamm; Andrew W. Baggett; Lev N. Zakharov; Shih-Yuan Liu","Protecting Group-Free Synthesis of 1,2-Azaborines: A Simple Approach to the Construction of BN-Benzenoids","Journal of the American Chemical Society","2013","135","","12908","12913","10.1021/ja4073436","","","0.71073","MoKα","","0.0732","0.0499","","","0.1203","0.1347","","","","","","1.08","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120423","14.362","0.005","14.362","0.005","9.724","0.005","90","","90","","120","","1737","1.2","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 K Se12 -","- Cd3.9975 Ga4.98 K Se12 -","- Cd11.9925 Ga14.94 K3 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0307","0.0278","","","0.0543","0.0548","","","","","","1.078","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120424","14.4055","0.001","14.4055","0.001","9.7688","0.0019","90","","90","","120","","1755.6","0.4","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Ga5 Rb Se12 -","- Cd4.0002 Ga4.98 Rb Se12 -","- Cd12.0006 Ga14.94 Rb3 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0275","0.0254","","","0.0412","0.0422","","","","","","0.999","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120425","14.4204","0.0008","14.4204","0.0008","9.7803","0.0013","90","","90","","120","","1761.3","0.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Cs Ga5 Se12 -","- Cd3.9975 Cs Ga5.01 Se12 -","- Cd11.9925 Cs3 Ga15.03 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.035","0.0316","","","0.0711","0.0729","","","","","","1.012","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4120426","14.827","0.0005","14.827","0.0005","10.0747","0.0005","90","","90","","120","","1918.09","0.13","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 In5 Rb Se12 -","- Cd3.9996 In5.0004 Rb Se12 -","- Cd11.9988 In15.0012 Rb3 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0296","0.0292","","","0.0685","0.0687","","","","","","1.083","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120427","14.864","0.005","14.864","0.005","10.102","0.005","90","","90","","120","","1932.9","1.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cd4 Cs In5 Se12 -","- Cd3.9996 Cs In5.0004 Se12 -","- Cd11.9988 Cs3 In15.0012 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0279","0.0276","","","0.0639","0.0641","","","","","","1.098","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120428","14.6793","0.0009","14.6793","0.0009","9.9732","0.0011","90","","90","","120","","1861.1","0.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- In5 Mn4 Rb Se12 -","- In5.0007 Mn3.9993 Rb Se12 -","- In15.0021 Mn11.9979 Rb3 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.034","0.0306","","","0.0598","0.0608","","","","","","1.053","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120429","14.7202","0.0008","14.7202","0.0008","10.0035","0.0011","90","","90","","120","","1877.2","0.3","293","2","293","2","","","","","","","","4","R 3 :H","R 3","146","","","","- Cs In5 Mn4 Se12 -","- Cs In5.0007 Mn3.9993 Se12 -","- Cs3 In15.0021 Mn11.9979 Se36 -","3","0.333333","","Hua Lin; Ling Chen; Liu-Jiang Zhou; Li-Ming Wu","Functionalization Based on the Substitutional Flexibility: Strong Middle IR Nonlinear Optical Selenides AXII4XIII5Se12","Journal of the American Chemical Society","2013","135","","12914","12921","10.1021/ja4074084","","","0.71073","MoKα","","0.0461","0.0396","","","0.0863","0.0893","","","","","","1.016","","","","has coordinates","178981","2020-10-21","18:00:00",""
"4120707","20.7465","0.0006","11.7265","0.0004","7.8125","0.0003","90","","90","","90","","1900.65","0.11","123","1","123","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H23 Cl Ho O3 P -","- C16 H23 Cl Ho O3 P -","- C64 H92 Cl4 Ho4 O12 P4 -","4","1","","Stephan Salzinger; Benedikt S. Soller; Andriy Plikhta; Uwe B. Seemann; Eberhardt Herdtweck; Bernhard Rieger","Mechanistic Studies on Initiation and Propagation of Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates","Journal of the American Chemical Society","2013","135","","13030","13040","10.1021/ja404457f","","","0.71073","MoKα","","0.0145","0.0144","","","0.0369","0.0369","","","","","","1.197","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120708","20.7504","0.0007","11.7361","0.0004","7.8075","0.0003","90","","90","","90","","1901.35","0.12","153","1","153","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H23 Cl O3 P Yb -","- C16 H23 Cl O3 P Yb -","- C64 H92 Cl4 O12 P4 Yb4 -","4","1","","Stephan Salzinger; Benedikt S. Soller; Andriy Plikhta; Uwe B. Seemann; Eberhardt Herdtweck; Bernhard Rieger","Mechanistic Studies on Initiation and Propagation of Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates","Journal of the American Chemical Society","2013","135","","13030","13040","10.1021/ja404457f","","","0.71073","MoKα","","0.0143","0.0142","","","0.0373","0.0374","","","","","","1.088","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120709","11.5091","0.0004","8.2872","0.0003","22.6167","0.0008","90","","101.516","0.002","90","","2113.72","0.13","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 O3 P Y -","- C21 H30 O3 P Y -","- C84 H120 O12 P4 Y4 -","4","1","","Stephan Salzinger; Benedikt S. Soller; Andriy Plikhta; Uwe B. Seemann; Eberhardt Herdtweck; Bernhard Rieger","Mechanistic Studies on Initiation and Propagation of Rare Earth Metal-Mediated Group Transfer Polymerization of Vinylphosphonates","Journal of the American Chemical Society","2013","135","","13030","13040","10.1021/ja404457f","","","0.71073","MoKα","","0.0485","0.0446","","","0.1182","0.1211","","","","","","1.074","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120710","8.398","0.006","14.5","0.011","15.63","0.011","106.936","0.01","101.941","0.01","94.762","0.009","1760","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 B N0 O4 S8 -","- C34 H30 B O4 S8 -","- C68 H60 B2 O8 S16 -","2","1","","Pradip Bag; Sushanta K. Pal; Mikhail E. Itkis; Arindam Sarkar; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Synthesis of Tetrachalcogenide-Substituted Phenalenyl Derivatives: Preparation and Solid-State Characterization of Bis(3,4,6,7-tetrathioalkyl-phenalenyl)boron Radicals","Journal of the American Chemical Society","2013","135","","12936","12939","10.1021/ja405814f","","","0.71073","MoKα","","0.1903","0.0756","","","0.1526","0.1816","","","","","","0.914","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120711","35.4748","0.0011","9.1858","0.0003","30.5791","0.0009","90","","122.371","0.001","90","","8416.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H47.5 B N0.5 O4 S8 -","- C43 H47.5 B N0.5 O4 S8 -","- C344 H380 B8 N4 O32 S64 -","8","1","","Pradip Bag; Sushanta K. Pal; Mikhail E. Itkis; Arindam Sarkar; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Synthesis of Tetrachalcogenide-Substituted Phenalenyl Derivatives: Preparation and Solid-State Characterization of Bis(3,4,6,7-tetrathioalkyl-phenalenyl)boron Radicals","Journal of the American Chemical Society","2013","135","","12936","12939","10.1021/ja405814f","","","0.71073","MoKα","","0.0503","0.0389","","","0.0942","0.1022","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120712","12.6682","0.0013","14.2628","0.0015","18.048","0.002","67.852","0.001","85.334","0.002","88.442","0.001","3010.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H18 B2 F24 O4 Se8 -","- C58 H18 B2 F24 O4 Se8 -","- C116 H36 B4 F48 O8 Se16 -","2","1","","Pradip Bag; Sushanta K. Pal; Mikhail E. Itkis; Arindam Sarkar; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Synthesis of Tetrachalcogenide-Substituted Phenalenyl Derivatives: Preparation and Solid-State Characterization of Bis(3,4,6,7-tetrathioalkyl-phenalenyl)boron Radicals","Journal of the American Chemical Society","2013","135","","12936","12939","10.1021/ja405814f","","","0.71073","MoKα","","0.0848","0.0431","","","0.0917","0.1059","","","","","","1.007","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120713","8.296","0.006","14.369","0.01","15.486","0.011","106.125","0.008","102.415","0.008","94.755","0.009","1712","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H30 B Cl0 O4 S8 -","- C34 H30 B O4 S8 -","- C68 H60 B2 O8 S16 -","2","1","","Pradip Bag; Sushanta K. Pal; Mikhail E. Itkis; Arindam Sarkar; Fook S. Tham; Bruno Donnadieu; Robert C. Haddon","Synthesis of Tetrachalcogenide-Substituted Phenalenyl Derivatives: Preparation and Solid-State Characterization of Bis(3,4,6,7-tetrathioalkyl-phenalenyl)boron Radicals","Journal of the American Chemical Society","2013","135","","12936","12939","10.1021/ja405814f","","","0.71073","MoKα","","0.1134","0.0591","","","0.1215","0.1367","","","","","","0.893","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120714","12.8949","0.0008","13.1119","0.0009","23.4112","0.0016","90","","98.19","0.003","90","","3917.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","MABII185","","","- C73 H82 F12 N6 O8 Pt2 S4 -","- C73 H82 F12 N6 O8 Pt2 S4 -","- C146 H164 F24 N12 O16 Pt4 S8 -","2","0.5","","Miriam A. Bowring; Robert G. Bergman; T. Don Tilley","Pt-Catalyzed C-C Activation Induced by C-H Activation","Journal of the American Chemical Society","2013","135","","13121","13128","10.1021/ja406260j","","","0.71073","MoKα","","0.0213","0.0166","","","0.0356","0.0379","","","","","","1.079","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120715","12.3714","0.0013","19.442","0.002","13.907","0.0017","90","","90","","90","","3345","0.6","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","MABIV142","","","- C32 H33 F6 N3 O4 Pt S2 -","- C32 H33 F6 N3 O4 Pt S2 -","- C128 H132 F24 N12 O16 Pt4 S8 -","4","1","","Miriam A. Bowring; Robert G. Bergman; T. Don Tilley","Pt-Catalyzed C-C Activation Induced by C-H Activation","Journal of the American Chemical Society","2013","135","","13121","13128","10.1021/ja406260j","","","0.71073","MoKα","","0.0727","0.0424","","","0.0806","0.0873","","","","","","0.993","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120716","10.2918","0.0009","18.727","0.002","14.6697","0.0012","90","","94.587","0.004","90","","2818.3","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","rebecca01","rebecca01","","- C30 H46 O4 -","- C30 H46 O4 -","- C120 H184 O16 -","4","0.5","","Jessica M. Wittman; Rebecca Hayoun; Werner Kaminsky; Michael K. Coggins; James M. Mayer","A C-C Bonded Phenoxyl Radical Dimer with a Zero Bond Dissociation Free Energy","Journal of the American Chemical Society","2013","135","","12956","12959","10.1021/ja406500h","","","0.71073","MoKα","","0.0575","0.049","","","0.1359","0.1472","","","","","","1.078","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120717","11.1205","0.0016","14.167","0.002","14.256","0.002","71.694","0.002","83.745","0.002","81.854","0.002","2105.8","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H65 Cr N4 Ni O0.5 P3 -","- C41 H65 Cr N4 Ni O0.5 P3 -","- C82 H130 Cr2 N8 Ni2 O P6 -","2","1","","Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu","Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes","Journal of the American Chemical Society","2013","135","","13142","13148","10.1021/ja406506m","","","0.71073","MoKα","","0.0852","0.0592","","","0.1611","0.1835","","","","","","1.021","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120718","12.3712","0.0019","19.416","0.003","19.653","0.003","113.252","0.002","95.561","0.002","101.549","0.002","4167.4","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","CoCrL neutral","","","- C39 H60 Co Cr N4 P3 -","- C39 H60 Co Cr N4 P3 -","- C156 H240 Co4 Cr4 N16 P12 -","4","2","","Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu","Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes","Journal of the American Chemical Society","2013","135","","13142","13148","10.1021/ja406506m","","","0.71073","MoKα","","0.1305","0.0606","","","0.116","0.1359","","","","","","0.88","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120719","11.373","0.001","14.0502","0.0011","14.1811","0.001","71.846","0.001","80.484","0.001","82.265","0.001","2115.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","NiL","","","- C42.5 H67 N4 Ni P3 -","- C42.5 H67 N4 Ni P3 -","- C85 H134 N8 Ni2 P6 -","2","1","","Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu","Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes","Journal of the American Chemical Society","2013","135","","13142","13148","10.1021/ja406506m","","","0.71073","MoKα","","0.0636","0.045","","","0.112","0.1239","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120720","15.9786","0.0018","15.9786","0.0018","11.6916","0.0013","90","","90","","120","","2585.1","0.5","173","2","173","2","","","","","","","","6","P 3 2 1","P 3 2""","150","MnCrL","","","- C39 H60 Cr Mn N4 P3 -","- C39 H60 Cr Mn N4 P3 -","- C78 H120 Cr2 Mn2 N8 P6 -","2","0.333333","","Laura J. Clouston; Randall B. Siedschlag; P. Alex Rudd; Nora Planas; Shuxian Hu; Adam D. Miller; Laura Gagliardi; Connie C. Lu","Systematic Variation of Metal-Metal Bond Order in Metal-Chromium Complexes","Journal of the American Chemical Society","2013","135","","13142","13148","10.1021/ja406506m","","","0.71073","MoKα","","0.0634","0.0472","","","0.1129","0.1237","","","","","","0.989","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120721","8.6244","0.0004","14.9852","0.0007","18.7406","0.0009","90","","92.974","0.003","90","","2418.7","0.2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1d","","","- C30 H33 Ir N2 O2 -","- C30 H33 Ir N2 O2 -","- C120 H132 Ir4 N8 O8 -","4","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0575","0.0492","","","0.1215","0.1297","","","","","","1.207","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120722","9.9885","0.0002","10.2413","0.0004","15.6625","0.0008","83.242","0.014","74.359","0.011","75.629","0.012","1492.38","0.15","113","2","113","2","","","","","","","","5","P -1","-P 1","2","1e","","","- C36 H39 Ir N2 O4 -","- C36 H39 Ir N2 O4 -","- C72 H78 Ir2 N4 O8 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0549","0.0493","","","0.1046","0.1115","","","","","","1.19","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120723","12.469","0.005","13.971","0.005","19.353","0.008","100.09","0.004","103.59","0.003","102.297","0.004","3110","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","1f","","","- C36 H45 Ir N2 O2 -","- C36 H45 Ir N2 O2 -","- C144 H180 Ir4 N8 O8 -","4","2","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0473","0.0423","","","0.0914","0.0972","","","","","","1.137","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120724","11.95","0.002","12.2366","0.001","18.754","0.002","79.999","0.013","89.465","0.018","87.969","0.013","2699","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","1g","","","- C32 H36 Ir N2 O2 -","- C32 H36 Ir N2 O2 -","- C128 H144 Ir4 N8 O8 -","4","2","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0961","0.0827","","","0.2117","0.2445","","","","","","0.997","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120725","12.44","0.005","13.311","0.005","18.205","0.006","69.912","0.012","71.057","0.012","82.847","0.016","2677.5","1.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","1h","","","- C31 H35 Ir N2 O3 -","- C31 H35 Ir N2 O3 -","- C124 H140 Ir4 N8 O12 -","4","2","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0656","0.057","","","0.1239","0.1319","","","","","","1.175","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120726","9.665","0.003","10.146","0.004","14.632","0.005","84.36","0.012","70.971","0.011","64.851","0.009","1226.5","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","1i","","","- C31 H32 N2 O2 Rh -","- C31 H32 N2 O2 Rh -","- C62 H64 N4 O4 Rh2 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0817","0.0713","","","0.2087","0.2445","","","","","","1.221","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120727","9.5643","0.0002","12.427","0.0003","12.5613","0.0006","88.412","0.013","69.551","0.009","68.197","0.008","1289.86","0.15","113","2","113","2","","","","","","","","5","P -1","-P 1","2","2d","","","- C33 H28 Ir N3 O2 -","- C33 H28 Ir N3 O2 -","- C66 H56 Ir2 N6 O4 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0493","0.0464","","","0.0989","0.1018","","","","","","1.147","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120728","11.3075","0.001","12.3224","0.0005","12.3999","0.0005","66.528","0.008","89.743","0.01","87.878","0.011","1583.6","0.19","113","2","113","2","","","","","","","","5","P -1","-P 1","2","4d","","","- C41 H34 Ir N3 O2 -","- C41 H34 Ir N3 O2 -","- C82 H68 Ir2 N6 O4 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0562","0.0494","","","0.102","0.1079","","","","","","1.147","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120729","9.6689","0.0017","11.479","0.002","12.714","0.003","78.307","0.007","68.201","0.007","69.109","0.007","1220.1","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","5d","","","- C30 H27 Ir N3 O2 -","- C30 H27 Ir N3 O2 -","- C60 H54 Ir2 N6 O4 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0358","0.0335","","","0.0851","0.087","","","","","","1.066","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120730","9.649","0.005","10.834","0.006","11.591","0.006","79.233","0.017","77.184","0.013","81.433","0.015","1153.4","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","6d","","","- C29 H26 Ir N3 O2 -","- C29 H26 Ir N3 O2 -","- C58 H52 Ir2 N6 O4 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0364","0.0346","","","0.0765","0.078","","","","","","1.124","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120731","20.748","0.015","10.052","0.007","14.587","0.01","90","","94.453","0.007","90","","3033","4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7d","","","- C37 H32 Ir N3 O2 -","- C37 H32 Ir N3 O2 -","- C148 H128 Ir4 N12 O8 -","4","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.1573","0.1343","","","0.2643","0.2806","","","","","","1.263","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120732","11.0299","0.0013","11.3492","0.0008","14.7789","0.0013","71.67","0.04","85.56","0.05","68.28","0.04","1629.9","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","8d-Cl","","","- C37 H41 Cl Ir N3 Si -","- C37 H41 Cl Ir N3 Si -","- C74 H82 Cl2 Ir2 N6 Si2 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0831","0.0756","","","0.1743","0.1817","","","","","","1.139","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120733","10.2398","0.0005","12.8417","0.0006","14.6811","0.0009","86.345","0.006","86.367","0.007","81.453","0.007","1902.35","0.18","113","2","113","2","","","","","","","","5","P -1","-P 1","2","10d","","","- C46 H49 Ir N3 Si -","- C46 H49 Ir N3 Si -","- C92 H98 Ir2 N6 Si2 -","2","1","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0478","0.0439","","","0.0912","0.0947","","","","","","1.173","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120734","20.643","0.0008","17.7074","0.0007","20.7596","0.0007","90","","117.467","0.001","90","","6733","0.4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","11d-Cl","","","- C40 H39 Cl Ir N3 Si -","- C40 H39 Cl Ir N3 Si -","- C320 H312 Cl8 Ir8 N24 Si8 -","8","2","","Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima","Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage","Journal of the American Chemical Society","2013","135","","13149","13161","10.1021/ja406519u","","","0.71075","MoKα","","0.0463","0.0422","","","0.105","0.1117","","","","","","1.076","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120735","20.1648","0.0004","20.1648","0.0004","16.4142","0.0005","90","","90","","90","","6674.3","0.3","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C46.67 H54.67 Cl1.33 Co1.33 N6.67 -","- C46.6667 H54.6667 Cl1.33333 Co1.33333 N6.66667 -","- C280 H328 Cl8 Co8 N40 -","6","0.75","","Renyuan Pony Yu; Jonathan M. Darmon; Carsten Milsmann; Grant W. Margulieux; S. Chantal E. Stieber; Serena DeBeer; Paul J. Chirik","Catalytic Hydrogenation Activity and Electronic Structure Determination of Bis(arylimidazol-2-ylidene)pyridine Cobalt Alkyl and Hydride Complexes","Journal of the American Chemical Society","2013","135","","13168","13184","10.1021/ja406608u","","","1.54178","CuKα","","0.0447","0.0394","","","0.0985","0.1006","","","","","","1.095","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120736","11.0041","0.0006","33.2108","0.0018","20.6334","0.0011","90","","95.367","0.003","90","","7507.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H65 B Co F24 N7 -","- C72 H65 B Co F24 N7 -","- C288 H260 B4 Co4 F96 N28 -","4","1","","Renyuan Pony Yu; Jonathan M. Darmon; Carsten Milsmann; Grant W. Margulieux; S. Chantal E. Stieber; Serena DeBeer; Paul J. Chirik","Catalytic Hydrogenation Activity and Electronic Structure Determination of Bis(arylimidazol-2-ylidene)pyridine Cobalt Alkyl and Hydride Complexes","Journal of the American Chemical Society","2013","135","","13168","13184","10.1021/ja406608u","","","1.54178","CuKα","","0.0637","0.0567","","","0.1575","0.1628","","","","","","1.046","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120737","13.7593","0.0006","14.5536","0.0007","19.8946","0.0009","69.192","0.001","76.713","0.001","71.703","0.001","3504.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H56 B Co F24 N5 -","- C68 H56 B Co F24 N5 -","- C136 H112 B2 Co2 F48 N10 -","2","1","","Renyuan Pony Yu; Jonathan M. Darmon; Carsten Milsmann; Grant W. Margulieux; S. Chantal E. Stieber; Serena DeBeer; Paul J. Chirik","Catalytic Hydrogenation Activity and Electronic Structure Determination of Bis(arylimidazol-2-ylidene)pyridine Cobalt Alkyl and Hydride Complexes","Journal of the American Chemical Society","2013","135","","13168","13184","10.1021/ja406608u","","","0.71073","MoKα","","0.0489","0.039","","","0.1124","0.118","","","","","","1.075","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120738","12.0909","0.0003","12.8468","0.0003","16.0768","0.0004","93.285","0.002","108.604","0.002","93.618","0.002","2354.07","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H64 Co N7 O -","- C53 H64 Co N7 O -","- C106 H128 Co2 N14 O2 -","2","1","","Renyuan Pony Yu; Jonathan M. Darmon; Carsten Milsmann; Grant W. Margulieux; S. Chantal E. Stieber; Serena DeBeer; Paul J. Chirik","Catalytic Hydrogenation Activity and Electronic Structure Determination of Bis(arylimidazol-2-ylidene)pyridine Cobalt Alkyl and Hydride Complexes","Journal of the American Chemical Society","2013","135","","13168","13184","10.1021/ja406608u","","","1.54178","CuKα","","0.0458","0.0378","","","0.0911","0.0956","","","","","","1.028","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120739","11.8834","0.0013","12.5642","0.0013","22.928","0.002","90","","90","","90","","3423.3","0.6","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H57 N3 O Si6 U -","- C19 H57 N3 O Si6 U -","- C76 H228 N12 O4 Si24 U4 -","4","1","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Stable Uranium(VI) Methyl and Acetylide Complexes and the Elucidation of an Inverse Trans Influence Ligand Series","Journal of the American Chemical Society","2013","135","","13185","13192","10.1021/ja406610r","","","0.71073","MoKα","","0.0182","0.0156","","","0.0356","0.0366","","","","","","1.058","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120740","12.3823","0.0008","12.1284","0.0007","13.0025","0.0008","90","","92.667","0.003","90","","1950.6","0.2","100","1","100","1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C26 H59 N3 O Si6 U -","- C26 H59 N3 O Si6 U -","- C52 H118 N6 O2 Si12 U2 -","2","0.5","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Stable Uranium(VI) Methyl and Acetylide Complexes and the Elucidation of an Inverse Trans Influence Ligand Series","Journal of the American Chemical Society","2013","135","","13185","13192","10.1021/ja406610r","","","0.71073","MoKα","","0.035","0.0348","","","0.0973","0.0973","","","","","","1.577","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120741","18.476","0.004","18.476","0.004","16.94","0.004","90","","90","","120","","5007.9","1.9","143","1","143","1","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C19 H57 N3 Si6 U -","- C19 H56.97 N3 Si6 U -","- C114 H341.82 N18 Si36 U6 -","6","0.333333","","Andrew J. Lewis; Patrick J. Carroll; Eric J. Schelter","Stable Uranium(VI) Methyl and Acetylide Complexes and the Elucidation of an Inverse Trans Influence Ligand Series","Journal of the American Chemical Society","2013","135","","13185","13192","10.1021/ja406610r","","","0.71073","MoKα","","0.023","0.021","","","0.0707","0.0868","","","","","","1.386","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120742","7.5855","0.0007","8.6501","0.001","25.042","0.003","90","","90","","90","","1643.1","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Yongbing Liu; Haifeng Du","Metal-Free Borane-Catalyzed Highly Stereoselective Hydrogenation of Pyridines","Journal of the American Chemical Society","2013","135","","12968","12971","10.1021/ja406761j","","","0.71073","MoKα","","0.0475","0.0456","","","0.1242","0.1255","","","","","","1.195","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120743","8.0673","0.0013","6.0026","0.0007","20.713","0.003","90","","95.849","0.009","90","","997.8","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 N2 -","- C24 H32 N2 -","- C48 H64 N4 -","2","0.5","","Yongbing Liu; Haifeng Du","Metal-Free Borane-Catalyzed Highly Stereoselective Hydrogenation of Pyridines","Journal of the American Chemical Society","2013","135","","12968","12971","10.1021/ja406761j","","","0.71073","MoKα","","0.0551","0.053","","","0.1359","0.1379","","","","","","1.133","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120744","7.451","0.003","7.592","0.004","8.063","0.004","74.72","0.02","88.22","0.02","83.52","0.02","437.2","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H26 N2 O7 -","- C16 H26 N2 O7 -","- C16 H26 N2 O7 -","1","1","","Yongbing Liu; Haifeng Du","Metal-Free Borane-Catalyzed Highly Stereoselective Hydrogenation of Pyridines","Journal of the American Chemical Society","2013","135","","12968","12971","10.1021/ja406761j","","","0.71073","MoKα","","0.0376","0.037","","","0.0969","0.0976","","","","","","1.062","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120745","7.1715","0.0002","27.4949","0.0006","30.6373","0.0007","90","","95.249","0.001","90","","6015.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(tetraphenylphosphonium) nitroundecahydroxy-closo-dodecaborate(2-) trihydrate penta(methanol) solvate","","- C53 H77 B12 N O21 P2 -","- C49 H55 B12 N O14 P2 -","- C196 H220 B48 N4 O56 P8 -","4","1","","Oleg Bondarev; Aslam A. Khan; Xiaoyan Tu; Yulia V. Sevryugina; Satish S. Jalisatgi; M. Frederick Hawthorne","Synthesis of [closo-B12(OH)11NH3]-: A New Heterobifunctional Dodecaborane Scaffold for Drug Delivery Applications","Journal of the American Chemical Society","2013","135","","13204","13211","10.1021/ja4069613","","","1.54178","Cu-Kα","","0.0921","0.0788","","","0.2102","0.2179","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120746","28.668","0.003","6.1938","0.0003","27.143","0.002","90","","117.359","0.009","90","","4280.5","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H51 Au2 Cl3 N8 O4 -","- C37 H51 Au2 Cl3 N8 O4 -","- C148 H204 Au8 Cl12 N32 O16 -","4","0.5","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","1.54178","CuKα","","0.0685","0.061","","","0.1659","0.1741","","","","","","1.087","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120747","11.4704","0.0003","13.9336","0.0004","14.531","0.0005","104.207","0.002","103.858","0.003","109.633","0.002","1984.27","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Au Cl N3 O4 -","- C19 H21 Au Cl N3 O4 -","- C76 H84 Au4 Cl4 N12 O16 -","4","2","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0334","0.0244","","","0.0439","0.0474","","","","","","1.07","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120748","11.3433","0.0001","7.14417","0.00007","17.6881","0.0002","90","","97.887","0.001","90","","1419.86","0.02","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H21 Au Cl N3 -","- C11 H21 Au Cl N3 -","- C44 H84 Au4 Cl4 N12 -","4","1","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","1.54184","CuKα","","0.0304","0.0256","","","0.0649","0.0836","","","","","","1.155","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120749","15.1192","0.0003","15.2115","0.0003","19.2224","0.0004","74.047","0.002","67.294","0.002","65.027","0.002","3663.72","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H40 Au B F4 N3 P -","- C39 H40 Au B F4 N3 P -","- C156 H160 Au4 B4 F16 N12 P4 -","4","2","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0328","0.0235","","","0.045","0.0482","","","","","","1.025","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120750","32.3325","0.0003","16.0148","0.0001","17.1142","0.0002","90","","116.831","0.001","90","","7907.67","0.15","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C156 H195.67 Au4 Cl5.58 I1.58 N24 O1.83 -","- C156 H194 Au4 Cl5.583 I1.583 N24 O1.834 -","- C312 H388 Au8 Cl11.166 I3.166 N48 O3.668 -","2","0.5","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0266","0.025","","","0.0668","0.0679","","","","","","1.04","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120751","10.5186","0.0002","17.8927","0.0003","10.0944","0.0002","90","","106.834","0.002","90","","1818.42","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Au Cl N3 -","- C19 H23 Au Cl N3 -","- C76 H92 Au4 Cl4 N12 -","4","1","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0256","0.0198","","","0.0331","0.0344","","","","","","1.061","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120752","6.3216","0.0002","15.7217","0.0003","20.9517","0.0004","90","","91.673","0.002","90","","2081.42","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Au Cl N3 -","- C21 H25 Au Cl N3 -","- C84 H100 Au4 Cl4 N12 -","4","1","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0314","0.0254","","","0.0479","0.0503","","","","","","1.037","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120753","15.9362","0.0002","31.6465","0.0003","15.8633","0.0001","90","","90","","90","","8000.26","0.14","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C42 H48 Au B F4 N4 -","- C42 H48 Au B F4 N4 -","- C336 H384 Au8 B8 F32 N32 -","8","1","","Daniel Canseco-Gonzalez; Ana Petronilho; Helge Müller-Bunz; Kohsuke Ohmatsu; Takashi Ooi; Martin Albrecht","Carbene Transfer from Triazolylidene Gold Complexes as a Potent Strategy for Inducing High Catalytic Activity","Journal of the American Chemical Society","2013","135","","13193","13203","10.1021/ja406999p","","","0.71073","MoKα","","0.0216","0.0176","","","0.0388","0.0402","","","","","","1.062","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120754","5.385","0.0007","11.9124","0.0012","15.931","0.002","90","","90","","90","","1021.9","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 Br2 O -","- C9 H10 Br2 O -","- C36 H40 Br8 O4 -","4","1","","Dennis X. Hu; Grant M. Shibuya; Noah Z. Burns","Catalytic Enantioselective Dibromination of Allylic Alcohols","Journal of the American Chemical Society","2013","135","","12960","12963","10.1021/ja4083182","","","0.71073","","","0.0286","0.0241","","","0.0499","0.0512","","","","","","1.066","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120755","13.9876","0.0001","21.0189","0.0002","25.6451","0.0002","90","","90","","90","","7539.76","0.11","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H54 Li2 N2 O Si2 -","- C36 H54 Li2 N2 O Si2 -","- C288 H432 Li16 N16 O8 Si16 -","8","1","","Johann T. B. H. Jastrzebski; Anne M. Arink; Henk Kleijn; Thijs W. Braam; Martin Lutz; Anthony L. Spek; Gerard van Koten","Directed ortho-Lithiation: Observation of an Unexpected 1-Lithio to 3-Lithio Conversion of 1-Lithio-naphthyllithium Compounds with an ortho-Directing 2-(Dimethylamino)methyl Group","Journal of the American Chemical Society","2013","135","","13371","13378","10.1021/ja402884y","","","0.71073","MoKα","","0.0561","0.0412","","","0.1091","0.1176","","","","","","1.078","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4120756","10.5381","0.0001","10.8025","0.0002","20.0558","0.0003","95.766","0.0006","96.1318","0.0006","96.2745","0.0006","2241.88","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 Li4 N4 -","- C52 H56 Li4 N4 -","- C104 H112 Li8 N8 -","2","1","","Johann T. B. H. Jastrzebski; Anne M. Arink; Henk Kleijn; Thijs W. Braam; Martin Lutz; Anthony L. Spek; Gerard van Koten","Directed ortho-Lithiation: Observation of an Unexpected 1-Lithio to 3-Lithio Conversion of 1-Lithio-naphthyllithium Compounds with an ortho-Directing 2-(Dimethylamino)methyl Group","Journal of the American Chemical Society","2013","135","","13371","13378","10.1021/ja402884y","","","0.71073","MoKα","","0.0732","0.049","","","0.1367","0.1538","","","","","","1.104","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120757","11.8142","0.0007","12.8038","0.0007","13.1046","0.0007","61.592","0.003","72.66","0.002","81.328","0.003","1664.25","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H43 Li2 N3 -","- C39 H43 Li2 N3 -","- C78 H86 Li4 N6 -","2","1","","Johann T. B. H. Jastrzebski; Anne M. Arink; Henk Kleijn; Thijs W. Braam; Martin Lutz; Anthony L. Spek; Gerard van Koten","Directed ortho-Lithiation: Observation of an Unexpected 1-Lithio to 3-Lithio Conversion of 1-Lithio-naphthyllithium Compounds with an ortho-Directing 2-(Dimethylamino)methyl Group","Journal of the American Chemical Society","2013","135","","13371","13378","10.1021/ja402884y","","","0.71073","MoKα","","0.0978","0.0494","","","0.1124","0.13","","","","","","1.034","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120758","15.289","0.003","9.437","0.0018","25.086","0.005","90","","102.377","0.003","90","","3535.3","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H29 Br2 N O7 -","- C41 H29 Br2 N O7 -","- C82 H58 Br4 N2 O14 -","2","1","","Youcai Hu; Malia B. Potts; Dominic Colosimo; Mireya L. Herrera-Herrera; Aaron G. Legako; Muhammed Yousufuddin; Michael A. White; John B. MacMillan","Discoipyrroles A-D: Isolation, Structure Determination, and Synthesis of Potent Migration Inhibitors from Bacillus hunanensis","Journal of the American Chemical Society","2013","135","","13387","13392","10.1021/ja403412y","","","0.71073","MoKα","","0.0623","0.0449","","","0.0902","0.0967","","","","","","1.004","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120759","15.4135","0.0005","28.3495","0.001","34.4392","0.0012","90","","93.178","0.002","90","","15025.6","0.9","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C180 H382 N14 O126 P4 V6 W30 -","- C83.4 H163 N9 O126 P4 V6 W30 -","- C166.8 H326 N18 O252 P8 V12 W60 -","2","0.5","","Panchao Yin; Tao Li; Ross S. Forgan; Claire Lydon; Xiaobing Zuo; Zhaoxiong Norm Zheng; Byeongdu Lee; Deliang Long; Leroy Cronin; Tianbo Liu","Exploring the Programmable Assembly of a Polyoxometalate-Organic Hybrid via Metal Ion Coordination","Journal of the American Chemical Society","2013","135","","13425","13432","10.1021/ja404777g","","","0.71073","MoKα","","0.161","0.0822","","","0.2163","0.2384","","","","","","0.958","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120760","10.9716","0.001","11.0386","0.0009","11.357","0.001","102.875","0.004","114.786","0.003","104.723","0.004","1119.56","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Dy2 N6 O12 -","- C44 H50 Dy2 N6 O12 -","- C44 H50 Dy2 N6 O12 -","1","0.5","","Fatemah Habib; Gabriel Brunet; Veacheslav Vieru; Ilia Korobkov; Liviu F. Chibotaru; Muralee Murugesu","Significant Enhancement of Energy Barriers in Dinuclear Dysprosium Single-Molecule Magnets Through Electron-Withdrawing Effects","Journal of the American Chemical Society","2013","135","","13242","13245","10.1021/ja404846s","","","0.71073","MoKα","","0.0174","0.0149","","","0.0402","0.042","","","","","","1.058","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120761","10.9677","0.0005","10.9839","0.0006","11.3372","0.0006","64.135","0.002","70.881","0.002","78.919","0.002","1159.21","0.11","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H25 Cl Dy N3 O6 -","- C22 H25 Cl Dy N3 O6 -","- C44 H50 Cl2 Dy2 N6 O12 -","2","1","","Fatemah Habib; Gabriel Brunet; Veacheslav Vieru; Ilia Korobkov; Liviu F. Chibotaru; Muralee Murugesu","Significant Enhancement of Energy Barriers in Dinuclear Dysprosium Single-Molecule Magnets Through Electron-Withdrawing Effects","Journal of the American Chemical Society","2013","135","","13242","13245","10.1021/ja404846s","","","0.71073","MoKα","","0.0129","0.0122","","","0.0327","0.033","","","","","","1.008","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120762","11.161","0.0006","11.5902","0.0006","12.2363","0.0007","96.122","0.002","109.199","0.002","118.713","0.002","1242.3","0.13","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.25 H25 Cl2 Dy N3 O6.25 -","- C22.25 H25 Cl2 Dy N3 O6.25 -","- C44.5 H50 Cl4 Dy2 N6 O12.5 -","2","1","","Fatemah Habib; Gabriel Brunet; Veacheslav Vieru; Ilia Korobkov; Liviu F. Chibotaru; Muralee Murugesu","Significant Enhancement of Energy Barriers in Dinuclear Dysprosium Single-Molecule Magnets Through Electron-Withdrawing Effects","Journal of the American Chemical Society","2013","135","","13242","13245","10.1021/ja404846s","","","0.71073","MoKα","","0.0202","0.0185","","","0.0466","0.0476","","","","","","1.04","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120763","12.334","0.0004","10.6933","0.0004","20.2703","0.0007","90","","99.619","0.001","90","","2635.89","0.16","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Dy F6 N3 O6 -","- C25 H24 Dy F6 N3 O6 -","- C100 H96 Dy4 F24 N12 O24 -","4","1","","Fatemah Habib; Gabriel Brunet; Veacheslav Vieru; Ilia Korobkov; Liviu F. Chibotaru; Muralee Murugesu","Significant Enhancement of Energy Barriers in Dinuclear Dysprosium Single-Molecule Magnets Through Electron-Withdrawing Effects","Journal of the American Chemical Society","2013","135","","13242","13245","10.1021/ja404846s","","","0.71073","MoKα","","0.0271","0.0227","","","0.0533","0.0552","","","","","","1.009","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120764","11.2249","0.0002","14.2662","0.0003","17.3635","0.0003","90","","90.858","0.001","90","","2780.22","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 Cl4 Dy2 N6 O12 -","- C52 H64 Cl4 Dy2 N6 O12 -","- C104 H128 Cl8 Dy4 N12 O24 -","2","0.5","","Fatemah Habib; Gabriel Brunet; Veacheslav Vieru; Ilia Korobkov; Liviu F. Chibotaru; Muralee Murugesu","Significant Enhancement of Energy Barriers in Dinuclear Dysprosium Single-Molecule Magnets Through Electron-Withdrawing Effects","Journal of the American Chemical Society","2013","135","","13242","13245","10.1021/ja404846s","","","0.71073","MoKα","","0.0229","0.0205","","","0.0551","0.0582","","","","","","1.047","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120765","9.1364","0.0005","10.9864","0.0006","12.362","0.0007","78.836","0.001","81.93","0.001","77.054","0.001","1180.3","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 Br N4 O3 -","- C29 H21 Br N4 O3 -","- C58 H42 Br2 N8 O6 -","2","1","","Wei Lin; Daniela Buccella; Stephen J. Lippard","Visualization of Peroxynitrite-Induced Changes of Labile Zn2+ in the Endoplasmic Reticulum with Benzoresorufin-Based Fluorescent Probes","Journal of the American Chemical Society","2013","135","","13512","13520","10.1021/ja4059487","","","0.71073","MoKα","","0.028","0.0256","","","0.0693","0.0707","","","","","","1.076","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120766","11.0295","0.0002","12.7894","0.0002","16.0576","0.0003","100.234","0.001","93.668","0.001","112.633","0.001","2035.44","0.06","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C84 H78 F12 N6 O4 P6 Re2 -","- C84 H72 F12 N6 O4 P6 Re2 -","- C84 H72 F12 N6 O4 P6 Re2 -","1","0.5","","Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani","Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties","Journal of the American Chemical Society","2013","135","","13266","13269","10.1021/ja406144h","","","0.71073","MoKα","","0.04","0.0381","","","0.0956","0.0969","","","","","","1.017","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120767","13.7098","0.0003","18.9544","0.0005","23.9076","0.0007","88.543","0.0008","83.7684","0.0008","83.3082","0.0009","6133.4","0.3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C123.03 H114.05 Cl3 N6 O20 P6 Re3 -","- C123.021 H114.042 Cl3 N6 O20.007 P6 Re3 -","- C246.042 H228.084 Cl6 N12 O40.014 P12 Re6 -","2","1","","Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani","Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties","Journal of the American Chemical Society","2013","135","","13266","13269","10.1021/ja406144h","","","0.71073","MoKα","","0.0863","0.051","","","0.1298","0.141","","","","","","0.879","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120768","46.6523","0.0001","46.6523","0.0001","46.6523","0.0001","90","","90","","90","","101536","0.4","123","2","123","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C164 H146 F24 N14 O8 P12 Re4 -","- C163.987 H128 F24.04 N13.9867 O8 P12.0067 Re4 -","- C3935.68 H3072 F576.96 N335.68 O192 P288.16 Re96 -","24","0.25","","Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani","Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties","Journal of the American Chemical Society","2013","135","","13266","13269","10.1021/ja406144h","","","0.689","synchrotron","","0.0207","0.0197","","","0.0566","0.0574","","","","","","1.071","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120769","31.2399","0.0005","30.3656","0.0006","21.5745","0.0005","90","","131.866","0.001","90","","15241.2","0.6","123","2","123","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C273.01 H265.51 F36 N28.5 O12 P18 Re6 -","- C273 H216 F36 N28.5 O12 P18 Re6 -","- C546 H432 F72 N57 O24 P36 Re12 -","2","0.25","","Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani","Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties","Journal of the American Chemical Society","2013","135","","13266","13269","10.1021/ja406144h","","","0.71073","MoKα","","0.0839","0.0563","","","0.1534","0.1607","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120770","11.9987","0.0011","8.0328","0.0008","14.445","0.0014","90","","96.49","0.001","90","","1383.3","0.2","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 F6 N4 O8 Pd S2 -","- C22 H28 F6 N4 O8 Pd S2 -","- C44 H56 F12 N8 O16 Pd2 S4 -","2","0.5","","Gregory B. Boursalian; Ming-Yu Ngai; Katarzyna N. Hojczyk; Tobias Ritter","Pd-Catalyzed Aryl C-H Imidation with Arene as the Limiting Reagent","Journal of the American Chemical Society","2013","135","","13278","13281","10.1021/ja4064926","","","0.71073","MoKα","","0.0472","0.0436","","","0.1058","0.1088","","","","","","1.041","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120771","29.007","0.005","15.739","0.002","19.889","0.003","90","","109.985","0.004","90","","8533","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H6 F24 Mn2 N6 O8 S4 -","- C26 H6 F24 Mn2 N6 O8 S4 -","- C208 H48 F192 Mn16 N48 O64 S32 -","8","2","","Elisabeth M. Fatila; Rodolphe Clérac; Mathieu Rouzières; Dmitriy V. Soldatov; Michael Jennings; Kathryn E. Preuss","High-Spin Ribbons and Antiferromagnetic Ordering of a MnII-Biradical-MnII Complex","Journal of the American Chemical Society","2013","135","","13298","13301","10.1021/ja4067783","","","0.71073","MoKα","","0.0666","0.0457","","","0.0822","0.0909","","","","","","1.024","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120772","10.816","0.003","19.146","0.005","12.664","0.003","90","","114.04","0.004","90","","2395","1.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","MnN5Me-Mo(CN)7","","","- C37 H66 Mn2 Mo N17 O8 -","- C37 H66 Mn2 Mo N17 O8 -","- C74 H132 Mn4 Mo2 N34 O16 -","2","1","","Kun Qian; Xing-Cai Huang; Chun Zhou; Xiao-Zeng You; Xin-Yi Wang; Kim R. Dunbar","A Single-Molecule Magnet Based on Heptacyanomolybdate with the Highest Energy Barrier for a Cyanide Compound","Journal of the American Chemical Society","2013","135","","13302","13305","10.1021/ja4067833","","","0.71073","MoKα","","0.0481","0.0427","","","0.0983","0.1025","","","","","","1.004","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120773","10.4615","0.0007","13.8115","0.0009","16.867","0.0011","95.088","0.002","94.278","0.003","99.923","0.002","2381.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MnN3O2-Mo(CN)7","","","- C37 H60 Mn2 Mo N13 O13 -","- C37 H40 Mn2 Mo N13 O13 -","- C74 H80 Mn4 Mo2 N26 O26 -","2","1","","Kun Qian; Xing-Cai Huang; Chun Zhou; Xiao-Zeng You; Xin-Yi Wang; Kim R. Dunbar","A Single-Molecule Magnet Based on Heptacyanomolybdate with the Highest Energy Barrier for a Cyanide Compound","Journal of the American Chemical Society","2013","135","","13302","13305","10.1021/ja4067833","","","0.71073","MoKα","","0.0616","0.0586","","","0.1403","0.1411","","","","","","1.005","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120774","10.3117","0.0018","10.9226","0.0012","22.299","0.002","86.906","0.002","89.002","0.003","74.499","0.002","2416.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MnDASPC-Mo(CN)7-Needle","","","- C31 H49 Mn2 Mo N22 O12 -","- C31 H37 Mn2 Mo N22 O12 -","- C62 H74 Mn4 Mo2 N44 O24 -","2","1","","Kun Qian; Xing-Cai Huang; Chun Zhou; Xiao-Zeng You; Xin-Yi Wang; Kim R. Dunbar","A Single-Molecule Magnet Based on Heptacyanomolybdate with the Highest Energy Barrier for a Cyanide Compound","Journal of the American Chemical Society","2013","135","","13302","13305","10.1021/ja4067833","","","0.71073","MoKα","","0.0623","0.0586","","","0.1405","0.1412","","","","","","1.012","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120775","15.9554","0.0014","24.433","0.002","13.7743","0.0012","90","","90.7714","0.0011","90","","5369.3","0.8","88","2","88","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H83 K N2 O7 Si3 U -","- C46 H83 K N2 O7 Si3 U -","- C184 H332 K4 N8 O28 Si12 U4 -","4","1","","Matthew R. MacDonald; Megan E. Fieser; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Identification of the +2 Oxidation State for Uranium in a Crystalline Molecular Complex, [K(2.2.2-Cryptand)][(C5H4SiMe3)3U]","Journal of the American Chemical Society","2013","135","","13310","13313","10.1021/ja406791t","","","0.71073","MoKα","","0.0295","0.0244","","","0.0541","0.0562","","","","","","1.049","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120776","17.1435","0.0012","24.8674","0.0017","13.7813","0.001","90","","112.576","0.0008","90","","5425","0.7","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H76 K N2 O6 Si3 U -","- C42 H76 K N2 O6 Si3 U -","- C168 H304 K4 N8 O24 Si12 U4 -","4","1","","Matthew R. MacDonald; Megan E. Fieser; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans","Identification of the +2 Oxidation State for Uranium in a Crystalline Molecular Complex, [K(2.2.2-Cryptand)][(C5H4SiMe3)3U]","Journal of the American Chemical Society","2013","135","","13310","13313","10.1021/ja406791t","","","0.71073","MoKα","","0.0492","0.0351","","","0.08","0.0855","","","","","","1.029","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120777","10.8332","0.0002","6.1272","0.0001","15.5015","0.0003","90","","90.022","0.001","90","","1028.95","0.03","173.2","","173.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H32 O3 -","- C23 H32 O3 -","- C46 H64 O6 -","2","1","","John F. Briones; Huw M. L. Davies","Enantioselective Gold(I)-Catalyzed Vinylogous [3 + 2] Cycloaddition between Vinyldiazoacetates and Enol Ethers","Journal of the American Chemical Society","2013","135","","13314","13317","10.1021/ja407179c","","","1.54184","CuKα","","0.0323","0.0322","","","0.0838","0.0839","","","","","","1.034","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120778","14.0183","0.0005","14.0183","0.0005","11.3948","0.0005","90","","90","","120","","1939.22","0.13","100","2","100","2","","","","","","","","5","P -3","-P 3","147","in,in-bis(hydrosilane)","","","- C43 H36 Cl3 S3 Si2 -","- C43 H36 Cl3 S3 Si2 -","- C86 H72 Cl6 S6 Si4 -","2","0.333333","","Jie Zong; Joel T. Mague; Robert A. Pascal","Exceptional Steric Congestion in an in,in-Bis(hydrosilane)","Journal of the American Chemical Society","2013","135","","13235","13237","10.1021/ja407398w","","","1.54178","CuKα","","0.0905","0.0822","","","0.2456","0.2544","","","","","","1.094","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120779","19.0012","0.0011","24.6026","0.0013","25.8588","0.0013","90","","90","","90","","12088.4","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C62 H76 Cu N5 O2 -","- C62 H76 Cu N5 O2 -","- C496 H608 Cu8 N40 O16 -","8","1","","Joby Winn; Aleksandra Pinczewska; Stephen M. Goldup","Synthesis of a Rotaxane CuI Triazolide under Aqueous Conditions","Journal of the American Chemical Society","2013","135","","13318","13321","10.1021/ja407446c","","","1.54178","CuKα","","0.2245","0.2194","","","0.4507","0.4524","","","","","","1.073","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120780","8.4288","0.0002","13.7579","0.0004","12.3099","0.0003","90","","106.94","0.001","90","","1365.55","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br2 O4 -","- C12 H16 Br2 O4 -","- C48 H64 Br8 O16 -","4","1","","Zachary S. Kean; Zhenbin Niu; Gihan B. Hewage; Arnold L. Rheingold; Stephen L. Craig","Stress-Responsive Polymers Containing Cyclobutane Core Mechanophores: Reactivity and Mechanistic Insights","Journal of the American Chemical Society","2013","135","","13598","13604","10.1021/ja4075997","","","1.54178","CuKα","","0.045","0.0409","","","0.0988","0.1017","","","","","","1.074","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120781","8.8907","0.00011","12.16463","0.00014","12.12008","0.00014","90","","93.0379","0.001","90","","1308.97","0.03","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","","Zachary S. Kean; Zhenbin Niu; Gihan B. Hewage; Arnold L. Rheingold; Stephen L. Craig","Stress-Responsive Polymers Containing Cyclobutane Core Mechanophores: Reactivity and Mechanistic Insights","Journal of the American Chemical Society","2013","135","","13598","13604","10.1021/ja4075997","","","1.5418","CuKα","","0.0381","0.0362","","","0.0934","0.095","","","","","","1.048","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120782","6.7456","0.0005","9.0252","0.0007","9.4246","0.0007","101.161","0.002","110.622","0.001","111.735","0.002","462.9","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N O7 -","- C8 H11 N O7 -","- C16 H22 N2 O14 -","2","1","","Natalia B. Shustova; Anthony F. Cozzolino; Sebastian Reineke; Marc Baldo; Mircea Dincă","Selective Turn-On Ammonia Sensing Enabled by High-Temperature Fluorescence in Metal-Organic Frameworks with Open Metal Sites","Journal of the American Chemical Society","2013","135","","13326","13329","10.1021/ja407778a","","","0.71073","MoKα","","0.0432","0.036","","","0.1032","0.1075","","","","","","1.12","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120783","16.703","0.011","11.725","0.008","9.533","0.006","90","","114.85","0.013","90","","1694.1","1.9","393","2","393","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Mg N2 O8 -","- C14 H18 Mg N2 O8 -","- C56 H72 Mg4 N8 O32 -","4","0.5","","Natalia B. Shustova; Anthony F. Cozzolino; Sebastian Reineke; Marc Baldo; Mircea Dincă","Selective Turn-On Ammonia Sensing Enabled by High-Temperature Fluorescence in Metal-Organic Frameworks with Open Metal Sites","Journal of the American Chemical Society","2013","135","","13326","13329","10.1021/ja407778a","","","0.71073","MoKα","","0.0766","0.0667","","","0.2035","0.2141","","","","","","1.082","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120784","11.8131","0.0003","16.6429","0.0005","23.3943","0.0007","90","","95.107","0.002","90","","4581.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H72 Fe N4 Si4 -","- C39 H72 Fe N4 Si4 -","- C156 H288 Fe4 N16 Si16 -","4","1","","Benjamin M. Day; Thomas Pugh; Daniël Hendriks; Célia Fonseca Guerra; David J. Evans; F. Matthias Bickelhaupt; Richard A. Layfield","Normal-to-Abnormal Rearrangement and NHC Activation in Three-Coordinate Iron(II) Carbene Complexes","Journal of the American Chemical Society","2013","135","","13338","13341","10.1021/ja408589p","","","0.71073","MoKα","","0.0528","0.041","","","0.0994","0.107","","","","","","1.015","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120785","11.6319","0.0004","17.3172","0.0005","17.0078","0.0006","90","","103.551","0.003","90","","3330.54","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H56 Fe N4 Si4 -","- C23 H56 Fe N4 Si4 -","- C92 H224 Fe4 N16 Si16 -","4","1","","Benjamin M. Day; Thomas Pugh; Daniël Hendriks; Célia Fonseca Guerra; David J. Evans; F. Matthias Bickelhaupt; Richard A. Layfield","Normal-to-Abnormal Rearrangement and NHC Activation in Three-Coordinate Iron(II) Carbene Complexes","Journal of the American Chemical Society","2013","135","","13338","13341","10.1021/ja408589p","","","0.71073","MoKα","","0.0589","0.0429","","","0.0891","0.098","","","","","","1.072","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120786","26.705","0.002","9.3643","0.0006","18.1068","0.0015","90","","126.451","0.005","90","","3642.2","0.5","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H60 Fe N6 Si4 -","- C26 H60 Fe N6 Si4 -","- C104 H240 Fe4 N24 Si16 -","4","0.5","","Benjamin M. Day; Thomas Pugh; Daniël Hendriks; Célia Fonseca Guerra; David J. Evans; F. Matthias Bickelhaupt; Richard A. Layfield","Normal-to-Abnormal Rearrangement and NHC Activation in Three-Coordinate Iron(II) Carbene Complexes","Journal of the American Chemical Society","2013","135","","13338","13341","10.1021/ja408589p","","","0.7107","MoKα","","0.0541","0.0413","","","0.0937","0.0993","","","","","","1.046","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120787","17.0002","0.0011","15.8643","0.0009","18.0671","0.0011","90","","111.372","0.002","90","","4537.6","0.5","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H72 Br4 N2 O4 Re -","- C34 H72 Br4 N2 O4 Re -","- C136 H288 Br16 N8 O16 Re4 -","4","1","","José Martínez-Lillo; Teresa F. Mastropietro; Elsa Lhotel; Carley Paulsen; Joan Cano; Giovanni De Munno; Juan Faus; Francesc Lloret; Miguel Julve; Saritha Nellutla; J. Krzystek","Highly Anisotropic Rhenium(IV) Complexes: New Examples of Mononuclear Single-Molecule Magnets","Journal of the American Chemical Society","2013","135","","13737","13748","10.1021/ja403154z","","","0.71073","MoKα","","0.034","0.0234","","","0.0507","0.0547","","","","","","1.006","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120788","20.0617","0.0013","8.662","0.0006","21.4146","0.0014","90","","90.5","0.003","90","","3721.2","0.4","193","2","193","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 P2 Sn2 -","- C40 H40 P2 Sn2 -","- C160 H160 P8 Sn8 -","4","1","","Nicolas Lassauque; Pauline Gualco; Sonia Mallet-Ladeira; Karinne Miqueu; Abderrahmane Amgoune; Didier Bourissou","Activation of a σ-SnSn Bond at Copper, Followed by Double Addition to an Alkyne","Journal of the American Chemical Society","2013","135","","13827","13834","10.1021/ja405516j","","x-ray","0.71073","MoKα","","0.0413","0.0276","","","0.0855","0.1104","","","","","","1.204","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120789","21.7034","0.0009","11.9656","0.0005","28.3255","0.0012","90","","90.602","0.002","90","","7355.6","0.5","193","2","193","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C72 H52 Au B F24 P2 Sn2 -","- C72 H52 Au B F24 P2 Sn2 -","- C288 H208 Au4 B4 F96 P8 Sn8 -","4","1","","Nicolas Lassauque; Pauline Gualco; Sonia Mallet-Ladeira; Karinne Miqueu; Abderrahmane Amgoune; Didier Bourissou","Activation of a σ-SnSn Bond at Copper, Followed by Double Addition to an Alkyne","Journal of the American Chemical Society","2013","135","","13827","13834","10.1021/ja405516j","","x-ray","0.71073","MoKα","","0.0693","0.038","","","0.0838","0.0976","","","","","","1.013","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120790","13.1739","0.0009","15.1534","0.0011","19.8524","0.0013","89.141","0.003","80.629","0.003","88.954","0.003","3909.3","0.5","193","2","193","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C73.5 H55 B Cl3 Cu F24 P2 Sn2 -","- C73.5 H55 B Cl3 Cu F24 P2 Sn2 -","- C147 H110 B2 Cl6 Cu2 F48 P4 Sn4 -","2","1","","Nicolas Lassauque; Pauline Gualco; Sonia Mallet-Ladeira; Karinne Miqueu; Abderrahmane Amgoune; Didier Bourissou","Activation of a σ-SnSn Bond at Copper, Followed by Double Addition to an Alkyne","Journal of the American Chemical Society","2013","135","","13827","13834","10.1021/ja405516j","","x-ray","0.71073","MoKα","","0.0518","0.0386","","","0.0938","0.1042","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120791","26.7541","0.0015","11.721","0.0005","27.3437","0.0014","90","","96.295","0.002","90","","8522.9","0.7","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 Br Cu O P2 Sn2 -","- C44 H48 Br Cu O P2 Sn2 -","- C352 H384 Br8 Cu8 O8 P16 Sn16 -","8","2","","Nicolas Lassauque; Pauline Gualco; Sonia Mallet-Ladeira; Karinne Miqueu; Abderrahmane Amgoune; Didier Bourissou","Activation of a σ-SnSn Bond at Copper, Followed by Double Addition to an Alkyne","Journal of the American Chemical Society","2013","135","","13827","13834","10.1021/ja405516j","","x-ray","0.71073","MoKα","","0.0952","0.045","","","0.0686","0.0816","","","","","","0.975","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120792","20.154","0.004","13.161","0.002","31.163","0.004","90","","95.553","0.005","90","","8227","2","193","2","193","2","","","","","","","synthesis as described","9","P 1 21/c 1","-P 2ybc","14","","","","- C78 H60 B Cl4 Cu F24 O2 P2 Sn2 -","- C78 H60 B Cl4 Cu F24 O2 P2 Sn2 -","- C312 H240 B4 Cl16 Cu4 F96 O8 P8 Sn8 -","4","1","","Nicolas Lassauque; Pauline Gualco; Sonia Mallet-Ladeira; Karinne Miqueu; Abderrahmane Amgoune; Didier Bourissou","Activation of a σ-SnSn Bond at Copper, Followed by Double Addition to an Alkyne","Journal of the American Chemical Society","2013","135","","13827","13834","10.1021/ja405516j","","x-ray","0.71073","MoKα","","0.0762","0.0681","","","0.1546","0.1591","","","","","","1.175","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120793","15.9827","0.0007","13.039","0.0005","21.3937","0.0009","90","","104.066","0.002","90","","4324.7","0.3","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 Cl4 Cu Ga P2 Sn2 -","- C40 H40 Cl4 Cu Ga P2 Sn2 -","- C160 H160 Cl16 Cu4 Ga4 P8 Sn8 -","4","1","","Nicolas Lassauque; Pauline Gualco; Sonia Mallet-Ladeira; Karinne Miqueu; Abderrahmane Amgoune; Didier Bourissou","Activation of a σ-SnSn Bond at Copper, Followed by Double Addition to an Alkyne","Journal of the American Chemical Society","2013","135","","13827","13834","10.1021/ja405516j","","x-ray","0.71073","MoKα","","0.0661","0.0375","","","0.0892","0.1027","","","","","","1.022","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120794","18.8185","0.001","22.3182","0.0013","24.6188","0.0012","90","","97.898","0.004","90","","10241.7","1","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C118 H120 B2 Cu2 F8 N8 O4 -","- C118 H120 B2 Cu2 F8 N8 O4 -","- C472 H480 B8 Cu8 F32 N32 O16 -","4","0.5","","Lina K. Blusch; Kathryn E. Craigo; Vlad Martin-Diaconescu; Ashley B. McQuarters; Eckhard Bill; Sebastian Dechert; Serena DeBeer; Nicolai Lehnert; Franc Meyer","Hidden Non-Innocence in an Expanded Porphyrin: Electronic Structure of the Siamese-Twin Porphyrin's Dicopper Complex in Different Oxidation States","Journal of the American Chemical Society","2013","135","","13892","13899","10.1021/ja406176e","","","0.71073","MoKα","","0.13","0.0849","","","0.159","0.176","","","","","","1.138","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4120795","6.1853","0.0002","7.5335","0.0003","16.1995","0.0006","91.001","0.007","92.437","0.007","90.097","0.007","754.05","0.05","93","","93","","","","","","","","","3","P 1","P 1","1","","","","- C22 H12 S2 -","- C22 H12 S2 -","- C44 H24 S4 -","2","2","","Takamichi Mori; Takeshi Nishimura; Tatsuya Yamamoto; Iori Doi; Eigo Miyazaki; Itaru Osaka; Kazuo Takimiya","Consecutive Thiophene-Annulation Approach to π-Extended Thienoacene-Based Organic Semiconductors with [1]Benzothieno[3,2-b][1]benzothiophene (BTBT) Substructure","Journal of the American Chemical Society","2013","135","","13900","13913","10.1021/ja406257u","","","1.54187","CuKα","","","0.0896","","","","0.1937","","","","","","1.433","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120796","40.29","0.002","7.8081","0.0004","5.9894","0.0003","90","","93.483","0.007","90","","1880.72","0.16","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H12 S4 -","- C26 H12 S4 -","- C104 H48 S16 -","4","1","","Takamichi Mori; Takeshi Nishimura; Tatsuya Yamamoto; Iori Doi; Eigo Miyazaki; Itaru Osaka; Kazuo Takimiya","Consecutive Thiophene-Annulation Approach to π-Extended Thienoacene-Based Organic Semiconductors with [1]Benzothieno[3,2-b][1]benzothiophene (BTBT) Substructure","Journal of the American Chemical Society","2013","135","","13900","13913","10.1021/ja406257u","","","1.54187","CuKα","","","0.1529","","","","0.3298","","","","","","1.14","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120797","15.394","0.009","11.4","0.007","23.46","0.014","90","","90","","90","","4117","4","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O Si -","- C22 H22 N2 O Si -","- C176 H176 N16 O8 Si8 -","8","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0631","0.0477","","","0.1332","0.1461","","","","","","1.046","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120798","9.6834","0.0017","16.116","0.003","14.179","0.002","90","","91.826","0.003","90","","2211.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 N2 O Si2 -","- C20 H28 N2 O Si2 -","- C80 H112 N8 O4 Si8 -","4","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0635","0.0529","","","0.1492","0.1582","","","","","","1.052","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4120799","7.736","0.009","14.421","0.016","21.89","0.02","90","","90","","90","","2442","5","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H32 N2 O Si -","- C27 H32 N2 O Si -","- C108 H128 N8 O4 Si4 -","4","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0601","0.0512","","","0.1181","0.1233","","","","","","1.01","","","","has coordinates","178984","2020-10-21","18:00:00",""
"4120800","18.05","0.003","10.4739","0.0017","20.8","0.003","90","","90","","90","","3932.3","1.1","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O Si -","- C22 H22 N2 O Si -","- C176 H176 N16 O8 Si8 -","8","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0655","0.0519","","","0.139","0.1497","","","","","","1.042","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120801","21.833","0.014","11.77","0.007","8.45","0.005","90","","90","","90","","2171","2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C23 H21 F3 N2 O Si -","- C23 H21 F3 N2 O Si -","- C92 H84 F12 N8 O4 Si4 -","4","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.1301","0.0713","","","0.1529","0.1784","","","","","","1.02","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120802","12.6718","0.0014","15.7328","0.0017","12.0343","0.0013","90","","115.583","0.002","90","","2164","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 N2 O2 Si -","- C23 H24 N2 O2 Si -","- C92 H96 N8 O8 Si4 -","4","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0716","0.0532","","","0.1325","0.1439","","","","","","1.028","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120803","10.906","0.005","11.199","0.005","11.312","0.005","106.617","0.008","106.091","0.007","115.013","0.007","1066.2","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N2 O2 Si -","- C23 H24 N2 O2 Si -","- C46 H48 N4 O4 Si2 -","2","1","","Takahiro Shiba; Takuya Kurahashi; Seijiro Matsubara","Nickel-Catalyzed Decarbonylative Alkylidenation of Phthalimides with Trimethylsilyl-Substituted Alkynes","Journal of the American Chemical Society","2013","135","","13636","13639","10.1021/ja4068172","","","0.71073","MoKα","","0.0612","0.0547","","","0.151","0.1578","","","","","","1.063","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120804","16.581","0.005","16.581","0.005","78.3","0.02","90","","90","","90","","21527","11","110","2","110","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","PCN225","","","- C48 H26 N4 O16 Zr3 -","- C48 H25 N4 O16 Zr3 -","- C384 H200 N32 O128 Zr24 -","8","0.25","","Hai-Long Jiang; Dawei Feng; Kecheng Wang; Zhi-Yuan Gu; Zhangwen Wei; Ying-Pin Chen; Hong-Cai Zhou","An Exceptionally Stable, Porphyrinic Zr Metal-Organic Framework Exhibiting pH-Dependent Fluorescence","Journal of the American Chemical Society","2013","135","","13934","13938","10.1021/ja406844r","","","0.71073","MoKα","","0.1217","0.0557","","","0.1441","0.1709","","","","","","0.955","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120805","10.321","0.0001","21.836","0.0003","10.407","0.0002","90","","94.612","0.001","90","","2337.82","0.06","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H60 Br Cl4 N4 Ni -","- C46 H60 Br Cl4 N4 Ni -","- C92 H120 Br2 Cl8 N8 Ni2 -","2","1","","Rebecca C. Poulten; Michael J. Page; Andrés G. Algarra; Jennifer J. Le Roy; Isidoro López; Emma Carter; Antoni Llobet; Stuart A. Macgregor; Mary F. Mahon; Damien M. Murphy; Muralee Murugesu; Michael K. Whittlesey","Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes)2]+: A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N-Heterocyclic Carbenes","Journal of the American Chemical Society","2013","135","","13640","13643","10.1021/ja407004y","","","0.71073","MoKα","","0.0567","0.0365","","","0.0842","0.0935","","","","","","1.018","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120806","10.369","0.0002","21.218","0.0005","17.609","0.0005","90","","93.369","0.001","90","","3867.45","0.16","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 N4 Ni -","- C44 H56 N4 Ni -","- C176 H224 N16 Ni4 -","4","1","","Rebecca C. Poulten; Michael J. Page; Andrés G. Algarra; Jennifer J. Le Roy; Isidoro López; Emma Carter; Antoni Llobet; Stuart A. Macgregor; Mary F. Mahon; Damien M. Murphy; Muralee Murugesu; Michael K. Whittlesey","Synthesis, Electronic Structure, and Magnetism of [Ni(6-Mes)2]+: A Two-Coordinate Nickel(I) Complex Stabilized by Bulky N-Heterocyclic Carbenes","Journal of the American Chemical Society","2013","135","","13640","13643","10.1021/ja407004y","","","0.71073","MoKα","","0.062","0.0436","","","0.0967","0.1053","","","","","","1.041","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120807","15.959","0.007","13.032","0.005","15.286","0.006","90","","98.213","0.006","90","","3147","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 N6 O4 -","- C37 H32 N6 O4 -","- C148 H128 N24 O16 -","4","0.5","","Kenji Mishiro; Takumi Furuta; Takahiro Sasamori; Kazuhiro Hayashi; Norihiro Tokitoh; Shiroh Futaki; Takeo Kawabata","A Cyclochiral Conformational Motif Constructed Using a Robust Hydrogen-Bonding Network","Journal of the American Chemical Society","2013","135","","13644","13647","10.1021/ja407051k","","","0.7107","MoKα","","0.0901","0.0581","","","0.1263","0.1444","","","","","","1.058","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120808","9.0103","0.0002","14.1379","0.0002","39.4878","0.0009","90","","90","","90","","5030.22","0.18","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C61 H56 N6 O4 -","- C61 H56 N6 O4 -","- C244 H224 N24 O16 -","4","1","","Kenji Mishiro; Takumi Furuta; Takahiro Sasamori; Kazuhiro Hayashi; Norihiro Tokitoh; Shiroh Futaki; Takeo Kawabata","A Cyclochiral Conformational Motif Constructed Using a Robust Hydrogen-Bonding Network","Journal of the American Chemical Society","2013","135","","13644","13647","10.1021/ja407051k","","","0.71069","MoKα","","0.1307","0.0539","","","0.0922","0.1154","","","","","","1.012","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120809","11.163","0.002","13.06","0.003","18.647","0.004","78.474","0.012","77.185","0.011","66.703","0.008","2415.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 F2 N2 Si -","- C28 H26 F2 N2 Si -","- C112 H104 F8 N8 Si4 -","4","2","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71069","MoKα","","0.0772","0.0663","","","0.1442","0.1506","","","","","","1.174","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120810","10.845","0.007","11.297","0.007","11.508","0.007","107.901","0.003","93.623","0.007","113.27","0.006","1204.7","1.3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 F2 N2 Si -","- C28 H26 F2 N2 Si -","- C56 H52 F4 N4 Si2 -","2","1","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71069","MoKα","","0.0824","0.0546","","","0.1366","0.1694","","","","","","1.103","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120811","11.1004","0.0009","11.3249","0.0009","22.3211","0.0018","76.401","0.002","83.103","0.002","74.218","0.003","2619.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 O2 Si -","- C30 H32 N2 O2 Si -","- C120 H128 N8 O8 Si4 -","4","2","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71073","MoKα","","0.0891","0.0621","","","0.1459","0.1602","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120812","16.0915","0.001","13.7972","0.0008","13.2201","0.0008","90","","93.402","0.002","90","","2929.9","0.3","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 N2 Si -","- C34 H40 N2 Si -","- C136 H160 N8 Si4 -","4","1","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71069","MoKα","","0.0714","0.0536","","","0.1192","0.1286","","","","","","1.059","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120813","13.782","0.003","15.462","0.003","17.085","0.003","95.165","0.002","112.367","0.003","103.013","0.002","3217.4","1.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H46 N2 -","- C38 H46 N2 -","- C152 H184 N8 -","4","2","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71073","MoKα","","0.0709","0.0619","","","0.1458","0.1522","","","","","","1.114","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120814","9.612","0.002","10.093","0.002","22.779","0.005","90","","95.446","0.005","90","","2199.9","0.8","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 F2 N2 -","- C28 H24 F2 N2 -","- C112 H96 F8 N8 -","4","1","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71069","MoKα","","0.0832","0.0556","","","0.1192","0.1354","","","","","","1.086","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120815","9.429","0.005","10.021","0.005","13.394","0.007","88.241","0.018","72.045","0.01","82.134","0.017","1192.5","1.1","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O2 -","- C30 H30 N2 O2 -","- C60 H60 N4 O4 -","2","1","","Daniel A. Evans; Ignacio Vargas-Baca; Alan H. Cowley","Sterically Directed Functionalization of the Redox-Active Bis(imino)acenaphthene Ligand Class: An Experimental and Theoretical Investigation","Journal of the American Chemical Society","2013","135","","13939","13946","10.1021/ja407070y","","","0.71069","MoKα","","0.1054","0.0624","","","0.1438","0.1813","","","","","","1.238","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120816","5.6081","0.0002","10.3356","0.0003","21.8076","0.0005","90","","93.5718","0.0009","90","","1261.58","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O3 S -","- C13 H15 N O3 S -","- C52 H60 N4 O12 S4 -","4","1","","Tomoya Miura; Takamasa Tanaka; Kentaro Hiraga; Scott G. Stewart; Masahiro Murakami","Stereoselective Synthesis of 2,3-Dihydropyrroles from Terminal Alkynes, Azides, and α,β-Unsaturated Aldehydes via N-Sulfonyl-1,2,3-triazoles","Journal of the American Chemical Society","2013","135","","13652","13655","10.1021/ja407166r","","","0.71075","MoKα","","0.0376","0.0356","","","0.1056","0.107","","","","","","1.221","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120817","26.5585","0.0009","23.3363","0.0009","20.8898","0.0007","90","","123.79","0.002","90","","10760","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Complex 1","","","- C96 H94 Cl2 N8 O6 Th2 -","- C96 H94 Cl2 N8 O6 Th2 -","- C384 H376 Cl8 N32 O24 Th8 -","4","0.5","","Ashleigh L. Ward; Heather L. Buckley; Wayne W. Lukens; John Arnold","Synthesis and Characterization of Thorium(IV) and Uranium(IV) Corrole Complexes","Journal of the American Chemical Society","2013","135","","13965","13971","10.1021/ja407203s","","","0.71073","MoKα","","0.0757","0.0474","","","0.1094","0.1183","","","","","","0.98","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120818","27.0738","0.0014","23.6955","0.0012","20.6036","0.0011","90","","123.272","0.002","90","","11051.1","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Complex 2","","","- C96 H94 Cl2 N8 O6 U2 -","- C96 H94 Cl2 N8 O6 U2 -","- C384 H376 Cl8 N32 O24 U8 -","4","0.5","","Ashleigh L. Ward; Heather L. Buckley; Wayne W. Lukens; John Arnold","Synthesis and Characterization of Thorium(IV) and Uranium(IV) Corrole Complexes","Journal of the American Chemical Society","2013","135","","13965","13971","10.1021/ja407203s","","","0.71073","MoKα","","0.0833","0.0527","","","0.145","0.1544","","","","","","1.038","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120819","9.671","0.004","16.829","0.007","16.875","0.007","90","","96.35","0.02","90","","2730","2","100","","100","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C56.11 H83.29 Cl0.94 F5 N O2 P2 Pd -","- C56.12 H83.3 Cl0.94 F5 N O2 P2 Pd -","- C112.24 H166.6 Cl1.88 F10 N2 O4 P4 Pd2 -","2","0.5","","Wan Pyo Hong; Andrei V. Iosub; Shannon S. Stahl","Pd-Catalyzed Semmler-Wolff Reactions for the Conversion of Substituted Cyclohexenone Oximes to Primary Anilines","Journal of the American Chemical Society","2013","135","","13664","13667","10.1021/ja4073172","","x-ray","0.71073","MoKα","K-L~3~","0.0469","0.0396","","","0.0934","0.0973","","","","","","1.071","","","","has coordinates,has disorder,has Fobs","178985","2020-10-21","18:00:00",""
"4120820","14.3598","0.0005","14.7448","0.0005","19.1321","0.0007","109.505","0.002","99.339","0.002","104.361","0.002","3563.4","0.2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C68 H49 B F24 Fe2 N O4 P2 S2 -","- C68 H49 B F24 Fe2 N O4 P2 S2 -","- C136 H98 B2 F48 Fe4 N2 O8 P4 S4 -","2","1","","Ning Wang; Mei Wang; Ying Wang; Dehua Zheng; Hongxian Han; Mårten S. G. Ahlquist; Licheng Sun","Catalytic Activation of H2 under Mild Conditions by an [FeFe]-Hydrogenase Model via an Active μ-Hydride Species","Journal of the American Chemical Society","2013","135","","13688","13691","10.1021/ja408376t","","","0.71073","MoKα","","0.0916","0.0579","","","0.136","0.15","","","","","","1.07","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120821","17.2205","0.0002","6.3693","0.0001","33.4339","0.0005","90","","95.41","0.001","90","","3650.78","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 Cl6 -","- C46 H28 Cl6 -","- C184 H112 Cl24 -","4","1","","Radha Bhola; Payam Payamyar; Daniel J. Murray; Bharat Kumar; Aaron J. Teator; Martin U. Schmidt; Sonja M. Hammer; Animesh Saha; Junji Sakamoto; A. Dieter Schlüter; Benjamin T. King","A Two-Dimensional Polymer from the Anthracene Dimer and Triptycene Motifs","Journal of the American Chemical Society","2013","135","","14134","14141","10.1021/ja404351p","","","0.71073","MoKα","","0.0788","0.0496","","","0.1336","0.1458","","","","","","1.048","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120822","17.2942","0.0007","6.4333","0.0003","34.1461","0.0014","90","","96.029","0.001","90","","3778","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H36 F2 -","- C56 H36 F2 -","- C224 H144 F8 -","4","1","","Radha Bhola; Payam Payamyar; Daniel J. Murray; Bharat Kumar; Aaron J. Teator; Martin U. Schmidt; Sonja M. Hammer; Animesh Saha; Junji Sakamoto; A. Dieter Schlüter; Benjamin T. King","A Two-Dimensional Polymer from the Anthracene Dimer and Triptycene Motifs","Journal of the American Chemical Society","2013","135","","14134","14141","10.1021/ja404351p","","","0.71073","MoKα","","0.1436","0.0964","","","0.2668","0.2906","","","","","","1.074","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120823","16.1372","0.0004","6.3565","0.0002","20.2635","0.0006","90","","97.087","0.002","90","","2062.67","0.1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C56 H50 O3 -","- C56 H50 O3 -","- C112 H100 O6 -","2","1","","Radha Bhola; Payam Payamyar; Daniel J. Murray; Bharat Kumar; Aaron J. Teator; Martin U. Schmidt; Sonja M. Hammer; Animesh Saha; Junji Sakamoto; A. Dieter Schlüter; Benjamin T. King","A Two-Dimensional Polymer from the Anthracene Dimer and Triptycene Motifs","Journal of the American Chemical Society","2013","135","","14134","14141","10.1021/ja404351p","","","0.71073","MoKα","","0.2126","0.0859","","","0.189","0.2508","","","","","","0.945","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120824","6.9562","0.0017","16.429","0.004","19.163","0.005","74.965","0.004","84.177","0.004","81.55","0.004","2087.5","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H38 Br6 -","- C50 H38 Br6 -","- C100 H76 Br12 -","2","1","","Radha Bhola; Payam Payamyar; Daniel J. Murray; Bharat Kumar; Aaron J. Teator; Martin U. Schmidt; Sonja M. Hammer; Animesh Saha; Junji Sakamoto; A. Dieter Schlüter; Benjamin T. King","A Two-Dimensional Polymer from the Anthracene Dimer and Triptycene Motifs","Journal of the American Chemical Society","2013","135","","14134","14141","10.1021/ja404351p","","","0.71073","MoKα","","0.1392","0.0954","","","0.278","0.2939","","","","","","1.073","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120825","17.398","0.002","6.4422","0.0008","34.255","0.005","90","","95.672","0.002","90","","3820.6","0.9","296","2","296","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C56 H38 -","- C56 H38 -","- C224 H152 -","4","1","","Radha Bhola; Payam Payamyar; Daniel J. Murray; Bharat Kumar; Aaron J. Teator; Martin U. Schmidt; Sonja M. Hammer; Animesh Saha; Junji Sakamoto; A. Dieter Schlüter; Benjamin T. King","A Two-Dimensional Polymer from the Anthracene Dimer and Triptycene Motifs","Journal of the American Chemical Society","2013","135","","14134","14141","10.1021/ja404351p","","","0.71073","MoKα","","0.1616","0.0956","","","0.234","0.26","","","","","","1.051","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120826","13.49","0.004","11.504","0.003","13.834","0.004","90","","113.793","0.004","90","","1964.4","1","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 B2 F8 N4 Pd -","- C17 H14 B2 F8 N4 Pd -","- C68 H56 B8 F32 N16 Pd4 -","4","1","","Anthony R. Mazzotti; Michael G. Campbell; Pingping Tang; Jennifer M. Murphy; Tobias Ritter","Palladium(III)-Catalyzed Fluorination of Arylboronic Acid Derivatives","Journal of the American Chemical Society","2013","135","","14012","14015","10.1021/ja405919z","","","0.71073","MoKα","","0.0611","0.0501","","","0.1312","0.1398","","","","","","1.05","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120827","15.0771","0.0006","17.672","0.0007","15.6002","0.0006","90","","99.83","0.001","90","","4095.5","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 B3 F12 N6 Pd -","- C30 H22 B3 F12 N6 Pd -","- C120 H88 B12 F48 N24 Pd4 -","4","1","","Anthony R. Mazzotti; Michael G. Campbell; Pingping Tang; Jennifer M. Murphy; Tobias Ritter","Palladium(III)-Catalyzed Fluorination of Arylboronic Acid Derivatives","Journal of the American Chemical Society","2013","135","","14012","14015","10.1021/ja405919z","","","0.71073","MoKα","","0.0867","0.0767","","","0.2027","0.209","","","","","","1.039","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120828","12.1099","0.0007","12.6815","0.0008","20.7558","0.0013","90","","90.08","0.001","90","","3187.5","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 B2 F8 N6 O Pd -","- C32 H27 B2 F8 N6 O0.5 Pd -","- C128 H108 B8 F32 N24 O2 Pd4 -","4","1","","Anthony R. Mazzotti; Michael G. Campbell; Pingping Tang; Jennifer M. Murphy; Tobias Ritter","Palladium(III)-Catalyzed Fluorination of Arylboronic Acid Derivatives","Journal of the American Chemical Society","2013","135","","14012","14015","10.1021/ja405919z","","","0.71073","MoKα","","0.0281","0.0244","","","0.058","0.0602","","","","","","1.026","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120829","9.7835","0.0014","12.3525","0.0017","16.842","0.002","104.147","0.002","103.269","0.002","100.107","0.002","1862.2","0.4","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","","","- C32 H25 B4 F16 N7 Na Pd -","- C32 H25 B4 F16 N7 Na Pd -","- C64 H50 B8 F32 N14 Na2 Pd2 -","2","1","","Anthony R. Mazzotti; Michael G. Campbell; Pingping Tang; Jennifer M. Murphy; Tobias Ritter","Palladium(III)-Catalyzed Fluorination of Arylboronic Acid Derivatives","Journal of the American Chemical Society","2013","135","","14012","14015","10.1021/ja405919z","","","0.71073","MoKα","","0.0554","0.0456","","","0.1106","0.1166","","","","","","1.056","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120830","19.2095","0.0005","19.2095","0.0005","36.0245","0.0009","90","","90","","120","","11512.3","0.5","228","2","228","2","","","","","","","","7","P 63/m m c","-P 6c 2c","194","","","","- C86 H42 Br6 Cr3 N6 O42 Zn6 -","- C85.98 H42 Br6 Cr3 N6 O42 Zn6 -","- C171.96 H84 Br12 Cr6 N12 O84 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0571","0.0459","","","0.1493","0.1591","","","","","","1.079","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120831","19.0306","0.0005","19.0306","0.0005","36.2445","0.0008","90","","90","","120","","11367.8","0.5","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C77 H36 Cr3 N6 O48 Zn6 -","- C76.98 H36 Cr3 N6 O48 Zn6 -","- C153.96 H72 Cr6 N12 O96 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0379","0.0334","","","0.0923","0.0956","","","","","","1.068","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120832","18.9479","0.0004","18.9479","0.0004","35.9127","0.0008","90","","90","","120","","11166.1","0.4","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C86 H48 Cr3 N6 O42 Zn6 -","- C85.98 H48 Cr3 N6 O42 Zn6 -","- C171.96 H96 Cr6 N12 O84 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0655","0.0513","","","0.1701","0.1792","","","","","","1.073","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120833","19.277","0.005","19.277","0.005","36.023","0.009","90","","90","","120","","11593","5","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C92 H60 Cr3 N6 O42 Zn6 -","- C91.98 H60 Cr3 N6 O42 Zn6 -","- C183.96 H120 Cr6 N12 O84 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.065","0.0471","","","0.1231","0.1297","","","","","","1.011","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120834","19.1692","0.0012","19.1692","0.0012","35.986","0.004","90","","90","","120","","11451.8","1.6","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C85 H54 Cr3 N12 O43 Zn6 -","- C85.002 H54 Cr3 N12 O43.002 Zn6 -","- C170.004 H108 Cr6 N24 O86.004 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0626","0.0549","","","0.1808","0.1887","","","","","","1.148","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120835","19.2087","0.001","19.2087","0.001","36.042","0.004","90","","90","","120","","11516.9","1.5","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C86 H42 Cr3 N12 O54 Zn6 -","- C85.98 H42 Cr3 N12 O54 Zn6 -","- C171.96 H84 Cr6 N24 O108 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0701","0.0493","","","0.1234","0.1301","","","","","","1.096","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120836","19.204","0.0014","19.204","0.0014","35.998","0.003","90","","90","","120","","11497.2","1.5","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C87.5 H48 Cr3 N6 O48 Zn6 -","- C87.48 H48 Cr3 N6 O48 Zn6 -","- C174.96 H96 Cr6 N12 O96 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0515","0.0408","","","0.1187","0.1241","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120837","19.2343","0.0007","19.2343","0.0007","36.009","0.0013","90","","90","","120","","11537","0.7","228","2","228","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C92 H60 Cr3 N6 O48 Zn6 -","- C91.98 H60 Cr3 N6 O48 Zn6 -","- C183.96 H120 Cr6 N12 O96 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0553","0.0471","","","0.1487","0.1568","","","","","","1.094","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120838","19.0495","0.0005","19.0495","0.0005","36.0366","0.0009","90","","90","","120","","11325.1","0.5","100","2","100","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C110 H96 Cr3 N6 O42 Zn6 -","- C109.98 H96 Cr3 N6 O42 Zn6 -","- C219.96 H192 Cr6 N12 O84 Zn12 -","2","0.0833333","","Alexander Schoedel; Wesley Boyette; Lukasz Wojtas; Mohamed Eddaoudi; Michael J. Zaworotko","A Family of Porous Lonsdaleite-e Networks Obtained through Pillaring of Decorated Kagomé Lattice Sheets","Journal of the American Chemical Society","2013","135","","14016","14019","10.1021/ja406030p","","","1.54178","CuKα","","0.0673","0.0605","","","0.1845","0.1925","","","","","","1.11","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120839","12.08096","0.00014","18.3226","0.0002","12.90108","0.00015","90","","94.6216","0.001","90","","2846.43","0.06","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 B2 F8 Fe N6 -","- C25 H24 B2 F8 Fe N6 -","- C100 H96 B8 F32 Fe4 N24 -","4","1","","Alison C. McQuilken; Yang Ha; Kyle D. Sutherlin; Maxime A. Siegler; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Guy N. L. Jameson; David P. Goldberg","Preparation of Non-heme {FeNO}7 Models of Cysteine Dioxygenase: Sulfur versus Nitrogen Ligation and Photorelease of Nitric Oxide","Journal of the American Chemical Society","2013","135","","14024","14027","10.1021/ja4064487","","","0.71073","MoKα","","0.047","0.0386","","","0.1004","0.1041","","","","","","1.067","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120840","11.65041","0.00018","14.6344","0.0002","28.0712","0.0005","90","","90","","90","","4786.05","0.13","110","2","110","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H21 B F4 Fe N5 O S -","- C24 H21 B F4 Fe N5 O S -","- C192 H168 B8 F32 Fe8 N40 O8 S8 -","8","1","","Alison C. McQuilken; Yang Ha; Kyle D. Sutherlin; Maxime A. Siegler; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Guy N. L. Jameson; David P. Goldberg","Preparation of Non-heme {FeNO}7 Models of Cysteine Dioxygenase: Sulfur versus Nitrogen Ligation and Photorelease of Nitric Oxide","Journal of the American Chemical Society","2013","135","","14024","14027","10.1021/ja4064487","","","0.71073","MoKα","","0.0447","0.0364","","","0.0908","0.0948","","","","","","1.037","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120841","17.0215","0.0003","12.70711","0.00018","12.66693","0.00019","90","","90","","90","","2739.78","0.07","110","2","110","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C24 H25 B1.82 Cl0.18 F7.27 Fe N6 O2 -","- C24 H25 B1.816 Cl0.184 F7.264 Fe N6 O2 -","- C96 H100 B7.264 Cl0.736 F29.056 Fe4 N24 O8 -","4","1","","Alison C. McQuilken; Yang Ha; Kyle D. Sutherlin; Maxime A. Siegler; Keith O. Hodgson; Britt Hedman; Edward I. Solomon; Guy N. L. Jameson; David P. Goldberg","Preparation of Non-heme {FeNO}7 Models of Cysteine Dioxygenase: Sulfur versus Nitrogen Ligation and Photorelease of Nitric Oxide","Journal of the American Chemical Society","2013","135","","14024","14027","10.1021/ja4064487","","","0.71073","MoKα","","0.0369","0.0319","","","0.082","0.0839","","","","","","1.044","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120842","42.06","0.008","11.926","0.002","15.447","0.003","90","","104.51","0.03","90","","7501","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H57 N O6 Si -","- C38 H57 N O6 Si -","- C304 H456 N8 O48 Si8 -","8","1","","Yuan Shi; Jeremy T. Wilmot; Lars Ulrik Nordstrøm; Derek S. Tan; David Y. Gin","Total Synthesis, Relay Synthesis, and Structural Confirmation of the C18-Norditerpenoid Alkaloid Neofinaconitine","Journal of the American Chemical Society","2013","135","","14313","14320","10.1021/ja4064958","","","0.71073","MoKα","","0.1187","0.0783","","","0.2035","0.2307","","","","","","1.055","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120843","7.714","0.0015","15.131","0.003","20.518","0.004","73.44","0.03","88.29","0.03","75.53","0.03","2220.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H69 N O7 Si2 -","- C44 H69 N O7 Si2 -","- C88 H138 N2 O14 Si4 -","2","1","","Yuan Shi; Jeremy T. Wilmot; Lars Ulrik Nordstrøm; Derek S. Tan; David Y. Gin","Total Synthesis, Relay Synthesis, and Structural Confirmation of the C18-Norditerpenoid Alkaloid Neofinaconitine","Journal of the American Chemical Society","2013","135","","14313","14320","10.1021/ja4064958","","","0.71073","MoKα","","0.2446","0.1886","","","0.4121","0.4428","","","","","","1.176","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120844","12.855","0.003","11.319","0.002","17.342","0.004","90","","108.73","0.03","90","","2389.7","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Br2 N O5 -","- C24 H31 Br2 N O5 -","- C96 H124 Br8 N4 O20 -","4","1","","Yuan Shi; Jeremy T. Wilmot; Lars Ulrik Nordstrøm; Derek S. Tan; David Y. Gin","Total Synthesis, Relay Synthesis, and Structural Confirmation of the C18-Norditerpenoid Alkaloid Neofinaconitine","Journal of the American Chemical Society","2013","135","","14313","14320","10.1021/ja4064958","","","0.71073","MoKα","","0.0678","0.0442","","","0.0837","0.0911","","","","","","1.04","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120845","8.8743","0.0014","14.678","0.002","11.0685","0.0018","90","","110.243","0.002","90","","1352.7","0.4","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H42 N2 O6 -","- C30 H42 N2 O6 -","- C60 H84 N4 O12 -","2","1","","Yuan Shi; Jeremy T. Wilmot; Lars Ulrik Nordstrøm; Derek S. Tan; David Y. Gin","Total Synthesis, Relay Synthesis, and Structural Confirmation of the C18-Norditerpenoid Alkaloid Neofinaconitine","Journal of the American Chemical Society","2013","135","","14313","14320","10.1021/ja4064958","","","0.71073","MoKα","","0.0579","0.047","","","0.12","0.1264","","","","","","1.002","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120846","8.8685","0.0015","11.5116","0.0018","12.3562","0.0017","84.247","0.005","82.647","0.005","80.286","0.005","1229.1","0.3","198","2","198","2","","","","","","","","6","P 1","P 1","1","ccs19feb`13","","","- C42 H90 Li4 N2 O2 Si2 -","- C42 H90 Li4 N2 O2 Si2 -","- C42 H90 Li4 N2 O2 Si2 -","1","1","","Chicheung Su; Russell Hopson; Paul G. Williard","Mixed Aggregates of an Alkyl Lithium Reagent and a Chiral Lithium Amide Derived from N-Ethyl-O-triisopropylsilyl Valinol","Journal of the American Chemical Society","2013","135","","14367","14379","10.1021/ja406912h","","","0.71073","","","0.08","0.0753","","","0.2239","0.2268","","","","","","1.095","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120847","9.8498","0.0003","5.9404","0.0002","18.9767","0.0007","90","","92.249","0.002","90","","1109.5","0.06","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O6 -","- C22 H30 N2 O6 -","- C44 H60 N4 O12 -","2","1","","Paul E. Gormisky; M. Christina White","Catalyst-Controlled Aliphatic C-H Oxidations with a Predictive Model for Site-Selectivity","Journal of the American Chemical Society","2013","135","","14052","14055","10.1021/ja407388y","","","1.54178","CuKα","","0.0455","0.0389","","","0.0999","0.1041","","","","","","1.082","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120848","9.516","0.003","14.05","0.004","14.83","0.004","92.273","0.004","104.028","0.004","101.858","0.004","1874.2","0.9","183","2","183","2","","","","","","","","4","P 1","P 1","1","","","","- C75 H92 Br2 O23 -","- C75 H92 Br2 O23 -","- C75 H92 Br2 O23 -","1","1","","Paul E. Gormisky; M. Christina White","Catalyst-Controlled Aliphatic C-H Oxidations with a Predictive Model for Site-Selectivity","Journal of the American Chemical Society","2013","135","","14052","14055","10.1021/ja407388y","","","0.71073","MoKα","","0.0797","0.0502","","","0.0895","0.1027","","","","","","0.975","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120849","12.723","0.0018","17.163","0.002","12.9667","0.0018","90","","115.038","0.001","90","","2565.4","0.6","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H39 F24 Fe N7 Sb2 -","- C42 H39 F24 Fe N7 Sb2 -","- C84 H78 F48 Fe2 N14 Sb4 -","2","1","","Paul E. Gormisky; M. Christina White","Catalyst-Controlled Aliphatic C-H Oxidations with a Predictive Model for Site-Selectivity","Journal of the American Chemical Society","2013","135","","14052","14055","10.1021/ja407388y","","","0.71073","MoKα","","0.0241","0.0229","","","0.0551","0.0558","","","","","","1.006","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4120850","26.927","0.0014","26.7769","0.0013","8.3326","0.0004","90","","90","","90","","6008","0.5","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H30 F12 N6 Ni P2 -","- C28 H23.5 F12 N6.5 Ni P2 -","- C224 H188 F96 N52 Ni8 P16 -","8","2","","V. Sara Thoi; Nikolay Kornienko; Charles G. Margarit; Peidong Yang; Christopher J. Chang","Visible-Light Photoredox Catalysis: Selective Reduction of Carbon Dioxide to Carbon Monoxide by a Nickel N-Heterocyclic Carbene-Isoquinoline Complex","Journal of the American Chemical Society","2013","135","","14413","14424","10.1021/ja4074003","","","0.71073","MoKα","","0.0719","0.0441","","","0.0751","0.085","","","","","","0.943","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120851","18.841","0.0008","8.3036","0.0004","22.2817","0.0009","90","","104.364","0.001","90","","3377","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 F12 N8 Ni P2 -","- C31 H28 F12 N8 Ni P2 -","- C124 H112 F48 N32 Ni4 P8 -","4","1","","V. Sara Thoi; Nikolay Kornienko; Charles G. Margarit; Peidong Yang; Christopher J. Chang","Visible-Light Photoredox Catalysis: Selective Reduction of Carbon Dioxide to Carbon Monoxide by a Nickel N-Heterocyclic Carbene-Isoquinoline Complex","Journal of the American Chemical Society","2013","135","","14413","14424","10.1021/ja4074003","","","0.71073","MoKα","","0.0256","0.0244","","","0.0656","0.0665","","","","","","1.057","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120852","13.244","0.0005","10.67","0.0004","21.476","0.0009","90","","107.91","0.001","90","","2887.8","0.2","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 F12 N6 Ni P2 -","- C27 H22 F12 N6 Ni P2 -","- C108 H88 F48 N24 Ni4 P8 -","4","0.5","","V. Sara Thoi; Nikolay Kornienko; Charles G. Margarit; Peidong Yang; Christopher J. Chang","Visible-Light Photoredox Catalysis: Selective Reduction of Carbon Dioxide to Carbon Monoxide by a Nickel N-Heterocyclic Carbene-Isoquinoline Complex","Journal of the American Chemical Society","2013","135","","14413","14424","10.1021/ja4074003","","","0.71073","MoKα","","0.0327","0.0309","","","0.0761","0.0769","","","","","","1.145","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120853","15.511","0.005","15.733","0.005","15.691","0.005","90","0.005","110.864","0.005","90","0.005","3578","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H32 F12 N8 Ni P2 -","- C33 H32 F12 N8 Ni P2 -","- C132 H128 F48 N32 Ni4 P8 -","4","1","","V. Sara Thoi; Nikolay Kornienko; Charles G. Margarit; Peidong Yang; Christopher J. Chang","Visible-Light Photoredox Catalysis: Selective Reduction of Carbon Dioxide to Carbon Monoxide by a Nickel N-Heterocyclic Carbene-Isoquinoline Complex","Journal of the American Chemical Society","2013","135","","14413","14424","10.1021/ja4074003","","","0.71069","MoKα","","0.0778","0.0476","","","0.0775","0.0871","","","","","","1.066","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120854","7.1761","0.0015","10.402","0.002","10.811","0.002","97.229","0.003","101.48","0.003","107.079","0.003","741.2","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C40 H30 N2 O6 -","2","2","","Qing-Long Xu; Hongyin Gao; Muhammed Yousufuddin; Daniel H. Ess; László Kürti","Aerobic, Transition-Metal-Free, Direct, and Regiospecific Mono-α-arylation of Ketones: Synthesis and Mechanism by DFT Calculations","Journal of the American Chemical Society","2013","135","","14048","14051","10.1021/ja4074563","","","0.71073","MoKα","","0.0785","0.0732","","","0.2233","0.2307","","","","","","1.066","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120855","21.2359","0.0019","21.2359","0.0019","27.653","0.002","90","","90","","90","","12470.5","1.8","100","","100","","","","","","","","","6","P 43","P 4cw","78","","","","- C122 H144 Cl N31 Na O24.5 -","- C122 H144 Cl N31 Na O24.5 -","- C488 H576 Cl4 N124 Na4 O98 -","4","1","","Yuran Hua; Yun Liu; Chun-Hsing Chen; Amar H. Flood","Hydrophobic Collapse of Foldamer Capsules Drives Picomolar-Level Chloride Binding in Aqueous Acetonitrile Solutions","Journal of the American Chemical Society","2013","135","","14401","14412","10.1021/ja4074744","","","0.41328","Synchrotron","","0.1077","0.085","","0.2478","0.2238","0.2467","","","","","","0.9579","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120856","35.3553","0.0019","7.4854","0.0004","18.9653","0.001","90","","109.426","0.001","90","","4733.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","mer-tricloronitrido(4,7-diphenyl-1,10-phenanthroline)osmium(IV)","","- C24 H16 Cl3 N3 Os -","- C24 H16 Cl3 N3 Os -","- C192 H128 Cl24 N24 Os8 -","8","1","","Kogularamanan Suntharalingam; Timothy C. Johnstone; Peter M. Bruno; Wei Lin; Michael T. Hemann; Stephen J. Lippard","Bidentate Ligands on Osmium(VI) Nitrido Complexes Control Intracellular Targeting and Cell Death Pathways","Journal of the American Chemical Society","2013","135","","14060","14063","10.1021/ja4075375","","","0.71073","MoKα","","0.0918","0.0828","","","0.2138","0.2185","","","","","","1.239","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120857","13.8885","0.0007","19.6863","0.0009","17.3055","0.0008","90","","113.057","0.001","90","","4353.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1H-4,7-diphenyl-1,10-phenanthrolinium chloride dichlormethane solvate","","- C24.5 H18 Cl2 N2 -","- C24.5 H18 Cl2 N2 -","- C196 H144 Cl16 N16 -","8","2","","Kogularamanan Suntharalingam; Timothy C. Johnstone; Peter M. Bruno; Wei Lin; Michael T. Hemann; Stephen J. Lippard","Bidentate Ligands on Osmium(VI) Nitrido Complexes Control Intracellular Targeting and Cell Death Pathways","Journal of the American Chemical Society","2013","135","","14060","14063","10.1021/ja4075375","","","0.71073","MoKα","","0.0536","0.0463","","","0.1197","0.1241","","","","","","1.042","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120858","7.1097","0.0011","11.5996","0.0018","12.0357","0.0018","90","","90","","90","","992.6","0.3","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C10 H10 O5 -","- C10 H10 O5 -","- C40 H40 O20 -","4","1","","Shikha Sharma; Trideep Rajale; David B. Cordes; Fernando Hung-Low; David M. Birney","Experimental and Computational Studies on the [3,3]- and [3,5]-Sigmatropic Rearrangements of Acetoxycyclohexadienones: A Non-ionic Mechanism for Acyl Migration","Journal of the American Chemical Society","2013","135","","14438","14447","10.1021/ja4077364","","","0.71073","MoKα","","0.0507","0.0445","","","0.1014","0.1064","","","","","","1.086","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120859","9.887","0.004","7.603","0.003","23.19","0.008","90","","102.167","0.004","90","","1704.1","1.1","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C72 H80 O24 -","8","2","","Shikha Sharma; Trideep Rajale; David B. Cordes; Fernando Hung-Low; David M. Birney","Experimental and Computational Studies on the [3,3]- and [3,5]-Sigmatropic Rearrangements of Acetoxycyclohexadienones: A Non-ionic Mechanism for Acyl Migration","Journal of the American Chemical Society","2013","135","","14438","14447","10.1021/ja4077364","","","0.71073","MoKα","","0.0482","0.0367","","","0.082","0.0876","","","","","","1.032","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120860","8.5871","0.0008","11.4756","0.0011","11.688","0.0011","90","","108.794","0.001","90","","1090.35","0.18","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Shikha Sharma; Trideep Rajale; David B. Cordes; Fernando Hung-Low; David M. Birney","Experimental and Computational Studies on the [3,3]- and [3,5]-Sigmatropic Rearrangements of Acetoxycyclohexadienones: A Non-ionic Mechanism for Acyl Migration","Journal of the American Chemical Society","2013","135","","14438","14447","10.1021/ja4077364","","","0.71073","MoKα","","0.0411","0.0324","","","0.0808","0.0867","","","","","","1.053","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120861","13.5167","0.0006","13.788","0.0006","21.9025","0.0013","79.92","0.005","81.585","0.005","69.61","0.004","3751","0.3","100.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H36 F2 -","- C54 H36 F2 -","- C216 H144 F8 -","4","2","","Youichi Sakamoto; Toshiyasu Suzuki","Tetrabenzo[8]circulene: Aromatic Saddles from Negatively Curved Graphene","Journal of the American Chemical Society","2013","135","","14074","14077","10.1021/ja407842z","","","0.7107","MoKα","","","0.0605","","","","0.1531","","","","","","0.927","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120862","17.0734","0.0006","17.0734","0.0006","10.7464","0.0004","90","","90","","90","","3132.59","0.19","100.1","","","","","","","","","","","2","I -4","I -4","82","","","","- C48 H24 -","- C48 H24 -","- C192 H96 -","4","0.5","","Youichi Sakamoto; Toshiyasu Suzuki","Tetrabenzo[8]circulene: Aromatic Saddles from Negatively Curved Graphene","Journal of the American Chemical Society","2013","135","","14074","14077","10.1021/ja407842z","","","0.7107","MoKα","","","0.0743","","","","0.0804","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120863","5.7421","0.0003","7.5441","0.0004","31.6321","0.0016","90","","90","","90","","1370.27","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N -","- C16 H18 Cl N -","- C64 H72 Cl4 N4 -","4","1","","Aaron D. Lackner; Andrew V. Samant; F. Dean Toste","Single-Operation Deracemization of 3H-Indolines and Tetrahydroquinolines Enabled by Phase Separation","Journal of the American Chemical Society","2013","135","","14090","14093","10.1021/ja4082827","","","1.54178","CuKα","","0.0325","0.0304","","","0.0737","0.0746","","","","","","1.121","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120864","10.142","0.002","11.748","0.002","15.056","0.003","90","","90","","90","","1793.9","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 B Cl2 O2 P -","- C16 H18 B Cl2 O2 P -","- C64 H72 B4 Cl8 O8 P4 -","4","1","","Qing-Qing Cheng; Shou-Fei Zhu; Yong-Zhen Zhang; Xiu-Lan Xie; Qi-Lin Zhou","Copper-Catalyzed B-H Bond Insertion Reaction: A Highly Efficient and Enantioselective C-B Bond-Forming Reaction with Amine-Borane and Phosphine-Borane Adducts","Journal of the American Chemical Society","2013","135","","14094","14097","10.1021/ja408306a","","","0.71073","MoKα","","0.0479","0.0368","","","0.0698","0.0753","","","","","","0.966","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120865","17.908","0.005","13.152","0.003","12.165","0.003","90","","90","","90","","2865.2","1.3","133","2","133","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9.5 H9 Cl4 N4.5 O Pt -","- C9.5 H9 Cl4 N4.5 O Pt -","- C76 H72 Cl32 N36 O8 Pt8 -","8","1","","Oleg A. Mironov; Steven M. Bischof; Michael M. Konnick; Brian G. Hashiguchi; Vadim R. Ziatdinov; William A. Goddard; Mårten Ahlquist; Roy A. Periana","Using Reduced Catalysts for Oxidation Reactions: Mechanistic Studies of the ""Periana-Catalytica"" System for CH4 Oxidation","Journal of the American Chemical Society","2013","135","","14644","14658","10.1021/ja404895z","","","0.71073","MoKα","","0.0715","0.0444","","","0.1051","0.1138","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120866","8.9805","0.0013","23.393","0.003","7.7775","0.0011","90","","96.713","0.002","90","","1622.7","0.4","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl2 F3 N4 O2 Pt -","- C12 H11 Cl2 F3 N4 O2 Pt -","- C48 H44 Cl8 F12 N16 O8 Pt4 -","4","1","","Oleg A. Mironov; Steven M. Bischof; Michael M. Konnick; Brian G. Hashiguchi; Vadim R. Ziatdinov; William A. Goddard; Mårten Ahlquist; Roy A. Periana","Using Reduced Catalysts for Oxidation Reactions: Mechanistic Studies of the ""Periana-Catalytica"" System for CH4 Oxidation","Journal of the American Chemical Society","2013","135","","14644","14658","10.1021/ja404895z","","","0.71073","MoKα","","0.0547","0.0401","","","0.0947","0.1005","","","","","","1.027","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120867","18.599","0.003","30.652","0.004","9.5561","0.0013","90","","97.942","0.003","90","","5395.6","1.3","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","eiszh17","","","- C23 H29 Cl3 N4 Ni S3 -","- C23 H29 Cl3 N4 Ni S3 -","- C184 H232 Cl24 N32 Ni8 S24 -","8","2","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.1367","0.0623","","","0.1262","0.1551","","","","","","1.019","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120868","23.627","0.003","10.1407","0.0013","14.3387","0.0018","90","","108.013","0.002","90","","3267.1","0.7","100","0.1","100","0.1","","","","","","","","5","C 1 2 1","C 2y","5","eiszh13","","","- C30 H44 N6 Ni S3 -","- C30 H44 N6 Ni S3 -","- C120 H176 N24 Ni4 S12 -","4","1","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.094","0.0518","","","0.0873","0.1023","","","","","","0.949","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120869","8.4139","0.0013","11.1458","0.0017","15.787","0.003","106.605","0.003","95.703","0.003","95.721","0.003","1398.9","0.4","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","eiszh14","","","- C22 H26 N6 Ni O7 S4 -","- C22 H26 N6 Ni O7 S4 -","- C44 H52 N12 Ni2 O14 S8 -","2","1","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.1232","0.0533","","","0.1035","0.1293","","","","","","1.007","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120870","10.9855","0.0019","12.676","0.002","12.714","0.002","81.971","0.003","67.021","0.003","86.21","0.003","1613.9","0.5","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","eiszh12","","","- C28 H45 N7 Ni S3 -","- C28 H45 N7 Ni S3 -","- C56 H90 N14 Ni2 S6 -","2","1","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.0769","0.0411","","","0.0851","0.0971","","","","","","1.028","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120871","18.7067","0.0016","8.1827","0.0007","21.3806","0.0018","90","","115.925","0.001","90","","2943.4","0.4","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","eiszh21","","","- C24 H39 N7 Ni O S3 -","- C24 H39 N7 Ni O S3 -","- C96 H156 N28 Ni4 O4 S12 -","4","1","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.0854","0.0559","","","0.1415","0.1569","","","","","","1.042","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120872","7.221","0.0014","15.822","0.003","16.582","0.003","90","","98.718","0.004","90","","1872.6","0.6","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","eiszh26","","","- C20 H16 N4 Ni S2 -","- C20 H16 N4 Ni S2 -","- C80 H64 N16 Ni4 S8 -","4","1","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.0565","0.0417","","","0.1038","0.1105","","","","","","1.051","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120873","19.583","0.002","12.2262","0.0015","20.46","0.003","90","","90.045","0.002","90","","4898.6","1.1","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","eiszh25","","","- C23 H22 Cl2 N4 Ni S2 -","- C23 H22 Cl2 N4 Ni S2 -","- C184 H176 Cl16 N32 Ni8 S16 -","8","2","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.087","0.0461","","","0.0973","0.1136","","","","","","1.027","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120874","10.1427","0.0006","12.0618","0.0007","20.1728","0.0012","90","","91.792","0.001","90","","2466.7","0.3","100","0.5","100","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","eiszh19","","","- C23 H22 Cl2 N4 Ni O2 S2 -","- C23 H22 Cl2 N4 Ni O2 S2 -","- C92 H88 Cl8 N16 Ni4 O8 S8 -","4","1","","Zhiji Han; Luxi Shen; William W. Brennessel; Patrick L. Holland; Richard Eisenberg","Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems","Journal of the American Chemical Society","2013","135","","14659","14669","10.1021/ja405257s","","","0.71073","MoKα","","0.1116","0.055","","","0.1209","0.145","","","","","","1.028","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120875","15.0667","0.0005","15.2398","0.0005","23.1361","0.0007","77.074","0.002","89.669","0.002","66.679","0.002","4734.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C87 H101 B Co2 F24 N6 O2 Si4 -","- C87 H101 B Co2 F23.97 N6 O2 Si4 -","- C174 H202 B2 Co4 F47.94 N12 O4 Si8 -","2","1","","Skye Fortier; Jennifer J. Le Roy; Chun-Hsing Chen; Veacheslav Vieru; Muralee Murugesu; Liviu F. Chibotaru; Daniel J. Mindiola; Kenneth G. Caulton","A Dinuclear Cobalt Complex Featuring Unprecedented Anodic and Cathodic Redox Switches for Single-Molecule Magnet Activity","Journal of the American Chemical Society","2013","135","","14670","14678","10.1021/ja405284t","","","0.71073","MoKα","","0.0738","0.0465","","","0.1163","0.1341","","","","","","0.888","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120876","9.8742","0.0011","15.5304","0.0017","16.387","0.003","93.643","0.011","99.206","0.011","105.959","0.008","2369.6","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H58 N2 O4 -","- C64 H58 N2 O4 -","- C128 H116 N4 O8 -","2","1","","Samuel W. Eaton; Leah E. Shoer; Steven D. Karlen; Scott M. Dyar; Eric A. Margulies; Brad S. Veldkamp; Charusheela Ramanan; Daniel A. Hartzler; Sergei Savikhin; Tobin J. Marks; Michael R. Wasielewski","Singlet Exciton Fission in Polycrystalline Thin Films of a Slip-Stacked Perylenediimide","Journal of the American Chemical Society","2013","135","","14701","14712","10.1021/ja4053174","","","1.54178","CuKα","","0.2272","0.104","","","0.2514","0.3114","","","","","","1.275","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120877","17.902","0.004","17.913","0.005","22.664","0.005","90","","128.361","0.005","90","","5699","2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H73 B N8 O4 Zn -","- C62 H73 B N8 O4 Zn -","- C248 H292 B4 N32 O16 Zn4 -","4","1","","Martin L. Kirk; David A. Shultz; Daniel E. Stasiw; Diana Habel-Rodriguez; Benjamin Stein; Paul D. Boyle","Electronic and Exchange Coupling in a Cross-Conjugated D-B-A Biradical: Mechanistic Implications for Quantum Interference Effects","Journal of the American Chemical Society","2013","135","","14713","14725","10.1021/ja405354x","","","0.71073","MoKα","","0.0947","0.0455","","","0.1068","0.1261","","","","","","1.024","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120878","15.338","0.003","18.091","0.003","24.184","0.004","90","","95.05","0.003","90","","6685","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H112 N2 O P4 Ti2 -","- C66 H112 N2 O P4 Ti2 -","- C264 H448 N8 O4 P16 Ti8 -","4","0.5","","Marco G. Crestani; Anne K. Hickey; Xinfeng Gao; Balazs Pinter; Vincent N. Cavaliere; Jun-Ichi Ito; Chun-Hsing Chen; Daniel J. Mindiola","Room Temperature Dehydrogenation of Ethane, Propane, Linear Alkanes C4-C8, and Some Cyclic Alkanes by Titanium-Carbon Multiple Bonds","Journal of the American Chemical Society","2013","135","","14754","14767","10.1021/ja4060178","","","0.71073","MoKα","","0.158","0.0516","","","0.0942","0.1167","","","","","","0.799","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4120879","19.255","0.003","14.983","0.002","23.719","0.004","90","","102.933","0.003","90","","6669.3","1.8","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H102 N6 P2 Sc2 -","- C66 H102 N6 P2 Sc2 -","- C264 H408 N24 P8 Sc8 -","4","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.1037","0.0597","","","0.17","0.2216","","","","","","0.885","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120880","11.969","0.0011","17.3337","0.0016","19.3786","0.0018","106.071","0.002","95.87","0.002","94.259","0.002","3820.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H118 N7 P2 Sc2 -","- C74 H118 N7 P2 Sc2 -","- C148 H236 N14 P4 Sc4 -","2","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0896","0.0536","","","0.1489","0.1774","","","","","","1.03","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120881","17.7351","0.0019","14.0886","0.0015","19.026","0.002","90","","102.052","0.002","90","","4649.1","0.9","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H136 N8 P2 Sc2 -","- C90 H136 N8 P2 Sc2 -","- C180 H272 N16 P4 Sc4 -","2","0.5","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0754","0.0523","","","0.1535","0.1688","","","","","","1.011","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120882","14.1879","0.0003","14.7284","0.0004","22.4285","0.0006","81.395","0.002","87.892","0.002","64.819","0.002","4191.7","0.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H116 N6 O2 P2 Sc2 -","- C74 H116 N6 O2 P2 Sc2 -","- C148 H232 N12 O4 P4 Sc4 -","2","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","1.54178","CuKα","","0.0622","0.0529","","","0.1509","0.1596","","","","","","1.044","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120883","14.245","0.002","23.168","0.003","26.529","0.004","90","","103.391","0.002","90","","8517","2","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H102 Mo N6 O6 P2 Sc2 -","- C72 H102 Mo N6 O6 P2 Sc2 -","- C288 H408 Mo4 N24 O24 P8 Sc8 -","4","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0922","0.0652","","","0.1738","0.191","","","","","","0.972","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120884","11.507","0.003","11.878","0.003","15.446","0.003","104.61","0.004","91.334","0.004","102.38","0.004","1988.7","0.8","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H122 N10 P2 Sc2 -","- C80 H122 N10 P2 Sc2 -","- C80 H122 N10 P2 Sc2 -","1","0.5","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.1281","0.0657","","","0.156","0.1951","","","","","","0.977","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120885","15.031","0.005","20.656","0.006","22.621","0.007","101.607","0.005","101.371","0.005","109.849","0.005","6197","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H68 N5 P2 Sc -","- C51 H68 N5 P2 Sc -","- C204 H272 N20 P8 Sc4 -","4","2","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.1749","0.0879","","","0.1841","0.2024","","","","","","1.018","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120886","13.7662","0.0016","18.35","0.002","18.655","0.002","95.579","0.002","111.436","0.002","103.964","0.002","4166.2","0.8","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H58 N7 Sc -","- C45 H58 N7 Sc -","- C180 H232 N28 Sc4 -","4","2","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0994","0.0539","","","0.1379","0.1655","","","","","","1.011","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120887","13.9321","0.0012","32.923","0.003","18.1113","0.0015","90","","99.026","0.002","90","","8204.5","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H130 N6 P2 Sc2 Se -","- C78 H130 N6 P2 Sc2 Se -","- C312 H520 N24 P8 Sc8 Se4 -","4","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0899","0.0628","","","0.1575","0.1719","","","","","","1.085","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120888","22.915","0.003","18.525","0.002","19.32","0.002","90","","90.494","0.002","90","","8201","1.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H102 N6 P2 Sc2 Te -","- C66 H102 N6 P2 Sc2 Te -","- C264 H408 N24 P8 Sc8 Te4 -","4","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.1093","0.049","","","0.0916","0.1024","","","","","","0.949","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120889","12.6975","0.0016","14.2153","0.0018","20.854","0.003","78.473","0.002","86.763","0.002","82.12","0.002","3651.7","0.8","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H116 N6 P2 S Sc2 -","- C72 H116 N6 P2 S Sc2 -","- C144 H232 N12 P4 S2 Sc4 -","2","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0896","0.0506","","","0.1358","0.1642","","","","","","0.964","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120890","11.9782","0.001","13.6314","0.0011","26.828","0.002","84.694","0.002","87.466","0.002","70.1","0.002","4100.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H122 N6 P2 Sc2 -","- C86 H122 N6 P2 Sc2 -","- C172 H244 N12 P4 Sc4 -","2","1","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0962","0.0566","","","0.1418","0.1636","","","","","","1.026","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120891","11.0804","0.0014","13.5919","0.0017","15.3304","0.0019","94.394","0.002","103.628","0.002","111.838","0.002","2048","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H118 N8 P2 Sc2 -","- C86 H118 N8 P2 Sc2 -","- C86 H118 N8 P2 Sc2 -","1","0.5","","Yingdong Lv; Christos E. Kefalidis; Jiliang Zhou; Laurent Maron; Xuebing Leng; Yaofeng Chen","Versatile Reactivity of a Four-Coordinate Scandium Phosphinidene Complex: Reduction, Addition, and CO Activation Reactions","Journal of the American Chemical Society","2013","135","","14784","14796","10.1021/ja406413d","","","0.71073","MoKα","","0.0642","0.0407","","","0.0976","0.1094","","","","","","1.007","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120892","6.577","0.0002","13.6444","0.0005","8.0893","0.0003","90","","91.519","0.003","90","","725.67","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H38 N2 O4 -","- C36 H38 N2 O4 -","- C36 H38 N2 O4 -","1","0.5","","Changming Qin; Huw M. L. Davies","Rh2(R-TPCP)4- Catalyzed Enantioselective [3+2]-Cycloaddition between Nitrones and Vinyldiazoacetates","Journal of the American Chemical Society","2013","135","","14516","14519","10.1021/ja4069003","","","1.54178","CuKα","","0.0237","0.0234","","","0.0596","0.0599","","","","","","1.078","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120893","8.4539","0.0001","10.1172","0.0001","17.3198","0.0002","90","","90","","90","","1481.36","0.03","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","1","","Arvind Jaganathan; Richard J. Staples; Babak Borhan","Kinetic Resolution of Unsaturated Amides in a Chlorocyclization Reaction: Concomitant Enantiomer Differentiation and Face Selective Alkene Chlorination by a Single Catalyst","Journal of the American Chemical Society","2013","135","","14806","14813","10.1021/ja407241d","","x-ray","1.54178","CuKα","","0.0259","0.0256","","","0.0641","0.0643","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4120894","5.0927","0.0002","10.4944","0.0003","26.6942","0.0008","90","","90","","90","","1426.67","0.08","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Cl N O -","- C17 H16 Cl N O -","- C68 H64 Cl4 N4 O4 -","4","1","","Arvind Jaganathan; Richard J. Staples; Babak Borhan","Kinetic Resolution of Unsaturated Amides in a Chlorocyclization Reaction: Concomitant Enantiomer Differentiation and Face Selective Alkene Chlorination by a Single Catalyst","Journal of the American Chemical Society","2013","135","","14806","14813","10.1021/ja407241d","","x-ray","1.54178","CuKα","","0.0379","0.0331","","","0.0728","0.075","","","","","","0.994","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120895","7.643","0.001","23.561","0.005","10.414","0.003","90","","102.9","0.01","90","","1828","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Fe N7 O -","- C17 H25 Fe N7 O -","- C68 H100 Fe4 N28 O4 -","4","1","","Rodica Ababei; Céline Pichon; Olivier Roubeau; Yang-Guang Li; Nicolas Bréfuel; Lionel Buisson; Philippe Guionneau; Corine Mathonière; Rodolphe Clérac","Rational Design of a Photomagnetic Chain: Bridging Single-Molecule Magnets with a Spin-Crossover Complex","Journal of the American Chemical Society","2013","135","","14840","14853","10.1021/ja407570n","","","0.71073","MoKα","","0.1734","0.0716","","","0.1123","0.1413","","","","","","1.02","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120896","15.187","0.003","30.083","0.006","14.054","0.003","90","","99.04","0.03","90","","6341","2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H69 Cl2 Fe Mn2 N11 O12.5 -","- C57.5 H67 Cl2 Fe Mn2 N11 O12.5 -","- C230 H268 Cl8 Fe4 Mn8 N44 O50 -","4","1","","Rodica Ababei; Céline Pichon; Olivier Roubeau; Yang-Guang Li; Nicolas Bréfuel; Lionel Buisson; Philippe Guionneau; Corine Mathonière; Rodolphe Clérac","Rational Design of a Photomagnetic Chain: Bridging Single-Molecule Magnets with a Spin-Crossover Complex","Journal of the American Chemical Society","2013","135","","14840","14853","10.1021/ja407570n","","","0.71073","MoKα","","0.0791","0.0611","","","0.1717","0.187","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120897","12.73","0.003","14.287","0.003","18.947","0.004","87.39","0.03","76.45","0.03","65.67","0.03","3047.5","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H73 Cl2 Fe Mn2 N11 O13 -","- C59 H72 Cl2 Fe Mn2 N11 O13 -","- C118 H144 Cl4 Fe2 Mn4 N22 O26 -","2","1","","Rodica Ababei; Céline Pichon; Olivier Roubeau; Yang-Guang Li; Nicolas Bréfuel; Lionel Buisson; Philippe Guionneau; Corine Mathonière; Rodolphe Clérac","Rational Design of a Photomagnetic Chain: Bridging Single-Molecule Magnets with a Spin-Crossover Complex","Journal of the American Chemical Society","2013","135","","14840","14853","10.1021/ja407570n","","","0.71073","MoKα","","0.0734","0.044","","","0.1068","0.123","","","","","","1.037","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120898","10.809","0.001","23.098","0.001","15.5077","0.0009","90","","94.39","0.01","90","","3860.4","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C136 H184 Fe8 N56 O9 -","- C136 H184 Fe8 N56 O9 -","- C136 H184 Fe8 N56 O9 -","1","0.25","","Rodica Ababei; Céline Pichon; Olivier Roubeau; Yang-Guang Li; Nicolas Bréfuel; Lionel Buisson; Philippe Guionneau; Corine Mathonière; Rodolphe Clérac","Rational Design of a Photomagnetic Chain: Bridging Single-Molecule Magnets with a Spin-Crossover Complex","Journal of the American Chemical Society","2013","135","","14840","14853","10.1021/ja407570n","","","0.71073","MoKα","","0.1063","0.0701","","","0.183","0.2096","","","","","","1.033","","","","has coordinates,has disorder","178985","2020-10-21","18:00:00",""
"4120899","12.2489","0.0001","13.023","0.0001","13.1871","0.0001","70.19","","72.89","","63.27","","1742.25","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H28 F5 N2 P -","- C44 H28 F5 N2 P -","- C88 H56 F10 N4 P2 -","2","1","","Flavio S. P. Cardoso; Khalil A. Abboud; Aaron Aponick","Design, Preparation, and Implementation of an Imidazole-Based Chiral Biaryl P,N-Ligand for Asymmetric Catalysis","Journal of the American Chemical Society","2013","135","","14548","14551","10.1021/ja407689a","","","1.54178","CuKα","","0.0308","0.0289","","","0.0769","0.0782","","","","","","1.057","","","","has coordinates","178985","2020-10-21","18:00:00",""
"4120900","14.2312","0.0015","12.8462","0.0014","14.9347","0.0016","90","","112.251","0.002","90","","2527","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H44 F11 N3 P2 Pd -","- C58 H44 F11 N3 P2 Pd -","- C116 H88 F22 N6 P4 Pd2 -","2","1","","Flavio S. P. Cardoso; Khalil A. Abboud; Aaron Aponick","Design, Preparation, and Implementation of an Imidazole-Based Chiral Biaryl P,N-Ligand for Asymmetric Catalysis","Journal of the American Chemical Society","2013","135","","14548","14551","10.1021/ja407689a","","","0.71073","MoKα","","0.0243","0.0218","","","0.0521","0.0527","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120901","11.308","0.011","14.627","0.014","18.67","0.018","90","","90","","90","","3088","5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 F6 Fe N4 O8 S2 -","- C24 H30 F6 Fe N4 O8 S2 -","- C96 H120 F24 Fe4 N16 O32 S8 -","4","1","","Olaf Cussó; Isaac Garcia-Bosch; Xavi Ribas; Julio Lloret-Fillol; Miquel Costas","Asymmetric Epoxidation with H2O2 by Manipulating the Electronic Properties of Non-heme Iron Catalysts","Journal of the American Chemical Society","2013","135","","14871","14878","10.1021/ja4078446","","","0.71073","MoKα","","0.0288","0.0267","","","0.0638","0.065","","","","","","1.06","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120902","17.9","0.013","12.76","0.009","14.882","0.011","90","","102.724","0.009","90","","3316","4","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 N6 O2 -","- C36 H42 N6 O2 -","- C144 H168 N24 O8 -","4","0.5","","Dong Sub Kim; Vincent M. Lynch; Jung Su Park; Jonathan L. Sessler","Three Distinct Equilibrium States via Self-Assembly: Simple Access to a Supramolecular Ion-Controlled NAND Logic Gate","Journal of the American Chemical Society","2013","135","","14889","14894","10.1021/ja4080198","","","0.71075","MoKα","","0.0927","0.056","","","0.1304","0.1541","","","","","","1.067","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120903","18.262","0.005","28.491","0.007","18.268","0.005","90","","92.079","0.004","90","","9499","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C167 H149 Cl15 I2 N14 O2 S32 -","- C167 H147 Cl15 I2 N14 O2 S32 -","- C334 H294 Cl30 I4 N28 O4 S64 -","2","0.5","","Dong Sub Kim; Vincent M. Lynch; Jung Su Park; Jonathan L. Sessler","Three Distinct Equilibrium States via Self-Assembly: Simple Access to a Supramolecular Ion-Controlled NAND Logic Gate","Journal of the American Chemical Society","2013","135","","14889","14894","10.1021/ja4080198","","","0.71075","MoKα","","0.1301","0.1149","","","0.2792","0.2889","","","","","","1.505","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120904","25.136","0.011","22.46","0.009","25.993","0.011","90","","93.64","0.04","90","","14645","11","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C69 H66 Cl3 N5 S16 -","- C68.5 H64.5 Cl2 N5 S16 -","- C548 H516 Cl16 N40 S128 -","8","1","","Dong Sub Kim; Vincent M. Lynch; Jung Su Park; Jonathan L. Sessler","Three Distinct Equilibrium States via Self-Assembly: Simple Access to a Supramolecular Ion-Controlled NAND Logic Gate","Journal of the American Chemical Society","2013","135","","14889","14894","10.1021/ja4080198","","","0.71073","MoKα","","0.2004","0.1156","","","0.2111","0.2405","","","","","","1.204","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120905","16.634","0.003","17.06","0.004","17.591","0.004","85.805","0.012","69.782","0.011","65.015","0.01","4230.4","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H68 Cl5 N4 P S16 -","- C85 H64 Cl3 N4 P S16 -","- C170 H128 Cl6 N8 P2 S32 -","2","1","","Dong Sub Kim; Vincent M. Lynch; Jung Su Park; Jonathan L. Sessler","Three Distinct Equilibrium States via Self-Assembly: Simple Access to a Supramolecular Ion-Controlled NAND Logic Gate","Journal of the American Chemical Society","2013","135","","14889","14894","10.1021/ja4080198","","","0.71075","MoKα","","0.0516","0.0424","","","0.1133","0.1178","","","","","","1.059","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120906","9.785","0.003","9.651","0.003","14.06","0.004","90","","101.86","0.006","90","","1299.4","0.7","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Br N2 O2 -","- C30 H27 Br N2 O2 -","- C60 H54 Br2 N4 O4 -","2","1","","Lizhu Gao; Byung Chul Kang; Do Hyun Ryu","Catalytic Asymmetric Insertion of Diazoesters into Aryl-CHO Bonds: Highly Enantioselective Construction of Chiral All-Carbon Quaternary Centers","Journal of the American Chemical Society","2013","135","","14556","14559","10.1021/ja408196g","","","0.71073","MoKα","","0.1988","0.0519","","","0.09","0.143","","","","","","0.705","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120907","11.801","0.006","14.19","0.01","16.457","0.009","75.294","0.009","75.221","0.006","66.078","0.006","2400","2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Thiophene-bridged Gyrotop","","","- C46 H86 S Si2 -","- C46 H86 S Si2 -","- C92 H172 S2 Si4 -","2","1","","Wataru Setaka; Kentaro Yamaguchi","Order-Disorder Transition of Dipolar Rotor in a Crystalline Molecular Gyrotop and Its Optical Change","Journal of the American Chemical Society","2013","135","","14560","14563","10.1021/ja408405f","","","0.71073","MoKα","","0.1541","0.0742","","","0.1928","0.24","","","","","","0.969","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120908","25.546","0.009","12.446","0.005","18.039","0.007","90","","122.538","0.004","90","","4835","3","270","2","270","2","","","","","","","","4","C 1 c 1","C -2yc","9","Thiophene-bridged Gyrotop","","","- C46 H86 S Si2 -","- C46 H86 S Si2 -","- C184 H344 S4 Si8 -","4","1","","Wataru Setaka; Kentaro Yamaguchi","Order-Disorder Transition of Dipolar Rotor in a Crystalline Molecular Gyrotop and Its Optical Change","Journal of the American Chemical Society","2013","135","","14560","14563","10.1021/ja408405f","","","0.71073","MoKα","","0.3347","0.1187","","","0.2792","0.428","","","","","","0.928","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120909","25.594","0.014","11.812","0.006","19.201","0.01","90","","121.519","0.006","90","","4948","5","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Thiophene-bridged Gyrotop","","","- C46 H86 S Si2 -","- C46 H86 S Si2 -","- C184 H344 S4 Si8 -","4","0.5","","Wataru Setaka; Kentaro Yamaguchi","Order-Disorder Transition of Dipolar Rotor in a Crystalline Molecular Gyrotop and Its Optical Change","Journal of the American Chemical Society","2013","135","","14560","14563","10.1021/ja408405f","","","0.71073","MoKα","","0.3349","0.1485","","","0.4461","0.5527","","","","","","1.075","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120910","18.4571","0.0012","9.9004","0.0006","10.548","0.0007","90","","101.24","0.004","90","","1890.5","0.2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17.8 H20.83 I1.03 N2 O Pd -","- C17.7954 H20.8295 I1.0341 N2 O Pd -","- C71.1816 H83.318 I4.1364 N8 O4 Pd4 -","4","1","","Jeffrey C. Holder; Lufeng Zou; Alexander N. Marziale; Peng Liu; Yu Lan; Michele Gatti; Kotaro Kikushima; K. N. Houk; Brian M. Stoltz","Mechanism and Enantioselectivity in Palladium-Catalyzed Conjugate Addition of Arylboronic Acids to β-Substituted Cyclic Enones: Insights from Computation and Experiment","Journal of the American Chemical Society","2013","135","","14996","15007","10.1021/ja401713g","","","0.71073","MoKα","","0.0269","0.0226","","","0.0403","0.0414","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120911","13.9838","0.0013","15.2795","0.0014","19.4786","0.0017","91.293","0.001","105.887","0.001","105.342","0.001","3840","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Co7(OH)6(L)6(OTf)3_Co7(OH)6(L)6(OTf)2","","","- C123 H147 Co14 F15 N17 O51 S5 -","- C123 H147 Co14 F15 N17 O51 S5 -","- C123 H147 Co14 F15 N17 O51 S5 -","1","0.5","","Andrew M. Ullman; Daniel G. Nocera","Mechanism of Cobalt Self-Exchange Electron Transfer","Journal of the American Chemical Society","2013","135","","15053","15061","10.1021/ja404469y","","","0.71073","MoKα","","0.0681","0.0408","","","0.0911","0.1069","","","","","","1.036","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120912","18.2684","0.0005","18.8013","0.0009","20.9446","0.0011","108.586","0.004","105.134","0.004","108.819","0.003","5899.4","0.6","143.05","0.1","143.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H88 F12 N30 O32 S5 -","- C88 H88 F12 N30 O32 S5 -","- C176 H176 F24 N60 O64 S10 -","2","1","","Hongjun Zhou; Yinsong, Zhao; Ge Gao; Shiqing Li; Jingbo Lan; Jingsong You","Highly Selective Fluorescent Recognition of Sulfate in Water by Two Rigid Tetrakisimidazolium Macrocycles with Peripheral Chains","Journal of the American Chemical Society","2013","135","","14908","14911","10.1021/ja406638b","","","0.7107","MoKα","","0.158","0.1177","","","0.3304","0.3591","","","","","","1.123","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120913","8.6726","0.0006","12.8597","0.0008","19.4545","0.0012","90","","92.648","0.004","90","","2167.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","hya4","","","- C21 H20 Cl Fe N5 O2 -","- C21 H20 Cl Fe N5 O2 -","- C84 H80 Cl4 Fe4 N20 O8 -","4","1","","Ho Yu Au-Yeung; Jefferson Chan; Teera Chantarojsiri; Christopher J. Chang","Molecular Imaging of Labile Iron(II) Pools in Living Cells with a Turn-On Fluorescent Probe","Journal of the American Chemical Society","2013","135","","15165","15173","10.1021/ja4072964","","","0.71073","MoKα","","0.1044","0.0715","","","0.1842","0.2031","","","","","","1.033","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120914","10.8076","0.0013","14.3904","0.0017","17.7688","0.0015","87.935","0.002","88.731","0.003","68.774","0.002","2574.2","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H27 Al F36 N O4 -","- C43 H27 Al F36 N O4 -","- C86 H54 Al2 F72 N2 O8 -","2","1","","Xin Zheng; Xingyong Wang; Yunfan Qiu; Yuantao Li; Chenkun Zhou; Yunxia Sui; Yizhi Li; Jing Ma; Xinping Wang","One-Electron Oxidation of an Organic Molecule by B(C6F5)3; Isolation and Structures of Stable Non-para-substituted Triarylamine Cation Radical and Bis(triarylamine) Dication Diradicaloid","Journal of the American Chemical Society","2013","135","","14912","14915","10.1021/ja407318h","","","0.71073","MoKα","","0.0671","0.0559","","","0.1391","0.1425","","","","","","1.036","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120915","14.0371","0.001","17.1155","0.0017","21.2159","0.0015","90","","107.474","0.003","90","","4861.9","0.7","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H26 Al F36 N O4 -","- C43 H26 Al F36 N O4 -","- C172 H104 Al4 F144 N4 O16 -","4","1","","Xin Zheng; Xingyong Wang; Yunfan Qiu; Yuantao Li; Chenkun Zhou; Yunxia Sui; Yizhi Li; Jing Ma; Xinping Wang","One-Electron Oxidation of an Organic Molecule by B(C6F5)3; Isolation and Structures of Stable Non-para-substituted Triarylamine Cation Radical and Bis(triarylamine) Dication Diradicaloid","Journal of the American Chemical Society","2013","135","","14912","14915","10.1021/ja407318h","","","0.71073","MoKα","","0.0764","0.0593","","","0.1466","0.1493","","","","","","1.095","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120916","10.5916","0.0006","16.233","0.0008","18.2994","0.0014","90","","90","","90","","3146.3","0.3","100","2","99.99","","","","","","","","","6","P m m m","-P 2 2","47","","","","- C54 H30 Br2 N2 O8 Zn2 -","- C54 H30 Br2 N2 O8 Zn2 -","- C54 H30 Br2 N2 O8 Zn2 -","1","0.125","","Nicolaas A. Vermeulen; Olga Karagiaridi; Amy A. Sarjeant; Charlotte L. Stern; Joseph T. Hupp; Omar K. Farha; J. Fraser Stoddart","Aromatizing Olefin Metathesis by Ligand Isolation inside a Metal- Organic Framework","Journal of the American Chemical Society","2013","135","","14916","14919","10.1021/ja407333q","","","1.54178","CuKα","","0.1448","0.1145","","","0.3156","0.3484","","","","","","1.301","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120917","10.2939","0.0011","16.4035","0.0015","18.242","0.003","90","","90","","90","","3080.3","0.7","100","2","99.99","","","","","","","","","6","P m m m","-P 2 2","47","","","","- C58 H36 Br2 N2 O8 Zn2 -","- C58 H38 Br2 N2 O8 Zn2 -","- C58 H38 Br2 N2 O8 Zn2 -","1","0.125","","Nicolaas A. Vermeulen; Olga Karagiaridi; Amy A. Sarjeant; Charlotte L. Stern; Joseph T. Hupp; Omar K. Farha; J. Fraser Stoddart","Aromatizing Olefin Metathesis by Ligand Isolation inside a Metal- Organic Framework","Journal of the American Chemical Society","2013","135","","14916","14919","10.1021/ja407333q","","","1.54178","CuKα","","0.1609","0.1189","","","0.3123","0.3484","","","","","","1.141","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120918","15.3827","0.0004","12.0666","0.0003","17.7872","0.0005","90","","107.919","0.002","90","","3141.45","0.15","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C152 H112 N16 O16 -","8","2","","Dominik S. Allgäuer; Peter Mayer; Herbert Mayr","Nucleophilicity Parameters of Pyridinium Ylides and Their Use in Mechanistic Analyses","Journal of the American Chemical Society","2013","135","","15216","15224","10.1021/ja407885h","","","0.71073","MoKα","","0.0863","0.0486","","","0.1118","0.1343","","","","","","1.012","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120919","10.908","0.0002","18.0229","0.0003","30.272","0.0005","90","","98.2496","0.0009","90","","5889.71","0.18","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H33 B Cl F4 N3 O -","- C30.5 H33 B Cl F4 N3 O -","- C244 H264 B8 Cl8 F32 N24 O8 -","8","2","","Dominik S. Allgäuer; Peter Mayer; Herbert Mayr","Nucleophilicity Parameters of Pyridinium Ylides and Their Use in Mechanistic Analyses","Journal of the American Chemical Society","2013","135","","15216","15224","10.1021/ja407885h","","","0.71073","MoKα","","0.1601","0.0897","","","0.2581","0.3056","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120920","9.3341","0.0004","18.7764","0.0008","10.4687","0.0004","90","","107.04","0.001","90","","1754.21","0.13","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H25 B F15 N Si2 Zr -","- C32 H25 B F15 N Si2 Zr -","- C64 H50 B2 F30 N2 Si4 Zr2 -","2","1","","KaKing Yan; Juan J. Duchimaza Heredia; Arkady Ellern; Mark S. Gordon; Aaron D. Sadow","Lewis Base Mediated β-Elimination and Lewis Acid Mediated Insertion Reactions of Disilazido Zirconium Compounds","Journal of the American Chemical Society","2013","135","","15225","15237","10.1021/ja407950e","","","0.71073","MoKα","","0.0352","0.032","","","0.0827","0.0847","","","","","","1.034","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120921","11.677","0.003","12.731","0.003","15.822","0.004","103.64","0.004","108.155","0.004","99.126","0.004","2102.2","0.9","173","2","173","2","","","","","","","","10","P -1","-P 1","2","Sad183","","","- C36 H26.5 B Br0.5 F18 N O3 S Si2 Zr -","- C36 H26 B Br0.5 F18 N O3 S Si2 Zr -","- C72 H52 B2 Br F36 N2 O6 S2 Si4 Zr2 -","2","1","","KaKing Yan; Juan J. Duchimaza Heredia; Arkady Ellern; Mark S. Gordon; Aaron D. Sadow","Lewis Base Mediated β-Elimination and Lewis Acid Mediated Insertion Reactions of Disilazido Zirconium Compounds","Journal of the American Chemical Society","2013","135","","15225","15237","10.1021/ja407950e","","","0.71073","MoKα","","0.0718","0.0435","","","0.1003","0.1175","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120922","9.3458","0.0012","15.4989","0.0019","14.4616","0.0018","90","","96.44","0.002","90","","2081.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 N O Si2 Zr -","- C17 H31 N O Si2 Zr -","- C68 H124 N4 O4 Si8 Zr4 -","4","1","","KaKing Yan; Juan J. Duchimaza Heredia; Arkady Ellern; Mark S. Gordon; Aaron D. Sadow","Lewis Base Mediated β-Elimination and Lewis Acid Mediated Insertion Reactions of Disilazido Zirconium Compounds","Journal of the American Chemical Society","2013","135","","15225","15237","10.1021/ja407950e","","","0.71073","MoKα","","0.0644","0.0373","","","0.0748","0.0857","","","","","","1.008","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120923","12.946","0.002","14.753","0.002","23.912","0.004","90","","103.293","0.004","90","","4444.6","1.2","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 B Cl2 F15 N O2 Si2 Zr -","- C39 H39 B Cl2 F15 N O2 Si2 Zr -","- C156 H156 B4 Cl8 F60 N4 O8 Si8 Zr4 -","4","1","","KaKing Yan; Juan J. Duchimaza Heredia; Arkady Ellern; Mark S. Gordon; Aaron D. Sadow","Lewis Base Mediated β-Elimination and Lewis Acid Mediated Insertion Reactions of Disilazido Zirconium Compounds","Journal of the American Chemical Society","2013","135","","15225","15237","10.1021/ja407950e","","","0.71073","MoKα","","0.0986","0.051","","","0.1071","0.1297","","","","","","0.996","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120924","11.986","0.006","12.7","0.006","14.465","0.008","90","","106.304","0.01","90","","2113.3","1.9","200","2","200","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C28 H62 F12 N10 Ni2 P2 Se2 -","- C28 H62 F12 N10 Ni2 P2 Se2 -","- C56 H124 F24 N20 Ni4 P4 Se4 -","2","0.25","","Jessica Wallick; Charles G. Riordan; Glenn P. A. Yap","C-H Activation by a Diselenido Dinickel(II) Complex","Journal of the American Chemical Society","2013","135","","14972","14974","10.1021/ja407995r","","","0.71073","MoKα","","0.0375","0.0367","","","0.0944","0.0949","","","","","","1.131","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120925","13.701","0.003","9.683","0.002","14.533","0.003","90","","90","","90","","1928","0.7","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C12 H29 F6 N4 Ni P Se -","- C12 H29 F6 N4 Ni P Se -","- C48 H116 F24 N16 Ni4 P4 Se4 -","4","0.5","","Jessica Wallick; Charles G. Riordan; Glenn P. A. Yap","C-H Activation by a Diselenido Dinickel(II) Complex","Journal of the American Chemical Society","2013","135","","14972","14974","10.1021/ja407995r","","","0.71073","MoKα","","0.0419","0.0315","","","0.0691","0.0741","","","","","","1.028","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120926","16.336","0.0002","17.1738","0.0002","20.1389","0.0002","67.123","0.001","77.886","0.001","77.704","0.001","5035.23","0.11","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Badjic 1959","","","- C108 H86 Cl4 N12 O27 -","- C108 H84 Cl4 N12 O27 -","- C216 H168 Cl8 N24 O54 -","2","1","","Shigui Chen; Yian Ruan; Jason D. Brown; Judith Gallucci; Veselin Maslak; Christopher M. Hadad; Jovica D. Badjić","Assembly of Amphiphilic Baskets into Stimuli-Responsive Vesicles. Developing a Strategy for the Detection of Organophosphorus Chemical Nerve Agents","Journal of the American Chemical Society","2013","135","","14964","14967","10.1021/ja408585j","","x-ray","0.71073","MoKα","","0.1036","0.0705","","","0.1889","0.2124","","","","","","1.044","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120927","24.697","0.004","15.318","0.002","26.215","0.004","90","","117.213","0.002","90","","8820","2","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H56 Au Cl3 F6 N5 Sb -","- C38.5 H56 Au Cl3 F6 N5 Sb -","- C308 H448 Au8 Cl24 F48 N40 Sb8 -","8","2","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0807","0.0595","","","0.1345","0.1436","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120928","16.861","0.002","12.0404","0.0014","21.422","0.003","90","","105.626","0.002","90","","4188.2","0.9","100","2","100.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34.5 H52 Au Cl3 F6 N5 Sb -","- C34.5 H52 Au Cl3 F6 N5 Sb -","- C138 H208 Au4 Cl12 F24 N20 Sb4 -","4","2","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0607","0.0545","","","0.1333","0.1381","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120929","12.5133","0.0012","12.5133","0.0012","47.953","0.005","90","","90","","90","","7508.6","1.3","100","2","100.15","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C37 H53 Au F6 N3 Sb -","- C37 H53 Au F6 N3 Sb -","- C296 H424 Au8 F48 N24 Sb8 -","8","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0586","0.0427","","","0.0824","0.0879","","","","","","1.025","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120930","22.316","0.002","11.1178","0.0011","18.4682","0.0018","90","","121.874","0.001","90","","3891.1","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H51 Au Cl2 F6 N3 Sb -","- C34 H51 Au Cl2 F6 N3 Sb -","- C136 H204 Au4 Cl8 F24 N12 Sb4 -","4","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0398","0.0363","","","0.087","0.0891","","","","","","1.013","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120931","12.3193","0.0006","12.4746","0.0006","16.1379","0.0008","96.96","0.001","102.634","0.001","114.233","0.001","2143.84","0.18","100","2","100.15","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H59 Au Cl2 F6 N3 O Sb -","- C39 H59 Au Cl2 F6 N3 O Sb -","- C78 H118 Au2 Cl4 F12 N6 O2 Sb2 -","2","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0482","0.0379","","","0.0863","0.0908","","","","","","1.014","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120932","9.7961","0.0008","16.7771","0.0013","12.9004","0.001","90","","110.982","0.002","90","","1979.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H53 Au F6 N5 Sb -","- C37 H53 Au F6 N5 Sb -","- C74 H106 Au2 F12 N10 Sb2 -","2","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0439","0.0381","","","0.0821","0.0841","","","","","","1.004","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120933","19.2322","0.0007","20.4284","0.0008","21.0029","0.0008","90","","90","","90","","8251.7","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H55 Au Cl2 F6 N3 Sb -","- C38 H55 Au Cl2 F6 N3 Sb -","- C304 H440 Au8 Cl16 F48 N24 Sb8 -","8","1","","Chandrakanta Dash; Muhammed Yousufuddin; Thomas R. Cundari; H. V. Rasika Dias","Gold-Mediated Expulsion of Dinitrogen from Organic Azides","Journal of the American Chemical Society","2013","135","","15479","15488","10.1021/ja406027x","","","0.71073","MoKα","","0.0434","0.032","","","0.0815","0.0884","","","","","","1.008","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120934","31.8047","0.0009","7.4805","0.0003","9.8565","0.0003","90","","90","","90","","2345.01","0.14","293","2","293","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C26 H20 N2 O10.5 Tb -","- C26 H17 N2 O10.5 Tb -","- C104 H68 N8 O42 Tb4 -","4","1","","Xingtang Rao; Tao Song; Junkuo Gao; Yuanjing Cui; Yu Yang; Chuande Wu; Banglin Chen; Guodong Qian","A Highly Sensitive Mixed Lanthanide Metal-Organic Framework Self-Calibrated Luminescent Thermometer","Journal of the American Chemical Society","2013","135","","15559","15564","10.1021/ja407219k","","","0.71073","MoKα","","0.0437","0.0387","","","0.0939","0.0974","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120935","21.1248","0.0002","18.6833","0.0002","12.3421","0.0001","90","","113.109","0.001","90","","4480.33","0.08","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H31 Cl Co2 F12 N10 P2 -","- C43 H31 Cl Co2 F12 N10 P2 -","- C172 H124 Cl4 Co8 F48 N40 P8 -","4","0.5","","Sukanta Mandal; Shinya Shikano; Yusuke Yamada; Yong-Min Lee; Wonwoo Nam; Antoni Llobet; Shunichi Fukuzumi","Protonation Equilibrium and Hydrogen Production by a Dinuclear Cobalt-Hydride Complex Reduced by Cobaltocene with Trifluoroacetic Acid","Journal of the American Chemical Society","2013","135","","15294","15297","10.1021/ja408080z","","","0.71073","MoKα","","0.0471","0.0354","","","0.112","0.123","","","","","","0.925","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120936","11.849","0.0012","12.0246","0.0008","14.9184","0.0014","96.481","0.007","108.989","0.009","104.065","0.007","1906.5","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H57 Br Cl2 N4 Ni O2 P2 -","- C31 H57 Br Cl2 N4 Ni O2 P2 -","- C62 H114 Br2 Cl4 N8 Ni2 O4 P4 -","2","1","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","0.71073","MoKα","","0.1108","0.0631","","","0.0869","0.1007","","","","","","0.982","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120937","34.2351","0.0008","19.3827","0.0003","18.1672","0.0003","90","","92.62","0.002","90","","12042.6","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C123 H168 Br2 Cu2 N8 Ni2 O4 Si4 -","- C123 H168 Br2 Cu2 N8 Ni2 O4 Si4 -","- C492 H672 Br8 Cu8 N32 Ni8 O16 Si16 -","4","0.5","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","1.54184","CuKα","","0.0898","0.0711","","","0.1761","0.1899","","","","","","1.535","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120938","9.0981","0.0001","25.6671","0.0002","22.5949","0.0002","90","","91.417","0.001","90","","5274.79","0.09","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H79 Br N4 Ni O2 Si2 -","- C50 H79 Br N4 Ni O2 Si2 -","- C200 H316 Br4 N16 Ni4 O8 Si8 -","4","1","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","1.54184","CuKα","","0.0622","0.0577","","","0.1575","0.1641","","","","","","1.447","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120939","12.2414","0.0004","20.7843","0.0007","21.9693","0.0007","73.485","0.003","74.053","0.003","73.009","0.003","5011.9","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H65 I N4 Ni O2 Si2 -","- C44 H65 I N4 Ni O2 Si2 -","- C176 H260 I4 N16 Ni4 O8 Si8 -","4","2","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","1.54184","CuKα","","0.1354","0.1052","","","0.2023","0.222","","","","","","1.516","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120940","10.5224","0.0005","13.4646","0.0006","17.1624","0.0006","105.524","0.004","99.379","0.003","97.497","0.004","2272.45","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H65 Br Ge2 N4 O2 -","- C44 H65 Br Ge2 N4 O2 -","- C88 H130 Br2 Ge4 N8 O4 -","2","1","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","0.71073","MoKα","","0.0511","0.0357","","","0.0818","0.0874","","","","","","1.03","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120941","9.1417","0.0003","22.4188","0.0005","26.2145","0.0008","90","","97.257","0.003","90","","5329.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H73 Br Ge2 N4 Ni O2 -","- C51 H73 Br Ge2 N4 Ni O2 -","- C204 H292 Br4 Ge8 N16 Ni4 O8 -","4","1","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","0.71073","MoKα","","0.0661","0.0462","","","0.0871","0.0932","","","","","","1.081","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120942","21.6098","0.0002","19.9642","0.0002","32.5982","0.0002","90","","102.6","0.001","90","","13724.9","0.2","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C71 H86 Br Cu Ge2 N4 Ni O2 -","- C71 H86 Br Cu Ge2 N4 Ni O2 -","- C568 H688 Br8 Cu8 Ge16 N32 Ni8 O16 -","8","2","","Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig","From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction","Journal of the American Chemical Society","2013","135","","15617","15626","10.1021/ja408137t","","","1.54184","CuKα","","0.0676","0.0626","","","0.1708","0.1775","","","","","","1.681","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120943","10.7683","0.0006","19.845","0.0012","22.5472","0.0012","90","","90","","90","","4818.3","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H88 N3 Ni Si2 -","- C46 H88 N3 Ni Si2 -","- C184 H352 N12 Ni4 Si8 -","4","1","","Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley","A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition","Journal of the American Chemical Society","2013","135","","15298","15301","10.1021/ja408151h","","","0.71073","MoKα","","0.0526","0.0364","","","0.0625","0.0673","","","","","","1.037","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120944","13.3749","0.0009","13.3774","0.0009","18.2349","0.0012","90","","90","","90","","3262.6","0.4","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C30 H52 K N2 Ni Si2 -","- C30 H52 K N2 Ni Si2 -","- C120 H208 K4 N8 Ni4 Si8 -","4","0.5","","Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley","A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition","Journal of the American Chemical Society","2013","135","","15298","15301","10.1021/ja408151h","","","0.71073","MoKα","","0.0391","0.0284","","","0.0619","0.0676","","","","","","1.03","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120945","11.8649","0.0013","17.206","0.002","17.3304","0.0019","82.23","0.005","71.21","0.005","88.85","0.005","3317.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H55 N2 Ni Si2 -","- C31 H55 N2 Ni Si2 -","- C124 H220 N8 Ni4 Si8 -","4","2","","Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley","A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition","Journal of the American Chemical Society","2013","135","","15298","15301","10.1021/ja408151h","","","0.71073","MoKα","","0.0551","0.039","","","0.0821","0.0895","","","","","","1.04","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120946","10.41","0.0004","18.0926","0.0007","22.1319","0.0008","90","","99.612","0.002","90","","4109.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 N3 Ni Si -","- C42 H62 N3 Ni Si -","- C168 H248 N12 Ni4 Si4 -","4","1","","Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley","A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition","Journal of the American Chemical Society","2013","135","","15298","15301","10.1021/ja408151h","","","0.71073","MoKα","","0.0559","0.0374","","","0.0837","0.0922","","","","","","1.024","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120947","8.8146","0.0008","9.1675","0.0008","11.1307","0.001","102.53","0.004","92.358","0.004","113.879","0.003","794.44","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 Co N2 Si2 -","- C30 H52 Co N2 Si2 -","- C30 H52 Co N2 Si2 -","1","0.5","","Michael I. Lipschutz; Xinzheng Yang; Ruchira Chatterjee; T. Don Tilley","A Structurally Rigid Bis(amido) Ligand Framework in Low-Coordinate Ni(I), Ni(II), and Ni(III) Analogues Provides Access to a Ni(III) Methyl Complex via Oxidative Addition","Journal of the American Chemical Society","2013","135","","15298","15301","10.1021/ja408151h","","","0.71073","MoKα","","0.024","0.0226","","","0.0605","0.0614","","","","","","1.076","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120948","18.3361","0.0004","10.44041","0.00019","23.7115","0.0005","90","","95.4604","0.0011","90","","4518.65","0.16","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49.5 H53 Cl N8 O P -","- C49.5 H53 Cl N8 O P -","- C198 H212 Cl4 N32 O4 P4 -","4","2","","Tadahiro Takeda; Masahiro Terada","Development of a Chiral Bis(guanidino)iminophosphorane as an Uncharged Organosuperbase for the Enantioselective Amination of Ketones","Journal of the American Chemical Society","2013","135","","15306","15309","10.1021/ja408296h","","","1.54187","CuKα","","","0.0749","","","","0.2232","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4120949","14.52","0.02","22.794","0.003","14.8","0.06","90","","113.303","0.003","90","","4499","19","103","","103","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H56 Cl N8 O P -","- C52 H56 Cl N8 O P -","- C208 H224 Cl4 N32 O4 P4 -","4","2","","Tadahiro Takeda; Masahiro Terada","Development of a Chiral Bis(guanidino)iminophosphorane as an Uncharged Organosuperbase for the Enantioselective Amination of Ketones","Journal of the American Chemical Society","2013","135","","15306","15309","10.1021/ja408296h","","","1.54187","CuKα","","","0.0583","","","","0.173","","","","","","1.091","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120950","9.81931","0.00018","10.04597","0.00018","39.4865","0.0007","90","","90","","90","","3895.13","0.12","103","","103","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H48 Br N8 P -","- C43 H48 Br N8 P -","- C172 H192 Br4 N32 P4 -","4","1","","Tadahiro Takeda; Masahiro Terada","Development of a Chiral Bis(guanidino)iminophosphorane as an Uncharged Organosuperbase for the Enantioselective Amination of Ketones","Journal of the American Chemical Society","2013","135","","15306","15309","10.1021/ja408296h","","","1.54187","CuKα","","","0.0342","","","","0.0903","","","","","","1.014","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120951","6.43119","0.00019","11.1622","0.0004","16.6648","0.0006","90","","90","","90","","1196.3","0.07","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Br N2 O -","- C11 H15 Br N2 O -","- C44 H60 Br4 N8 O4 -","4","1","","Tadahiro Takeda; Masahiro Terada","Development of a Chiral Bis(guanidino)iminophosphorane as an Uncharged Organosuperbase for the Enantioselective Amination of Ketones","Journal of the American Chemical Society","2013","135","","15306","15309","10.1021/ja408296h","","","1.54187","CuKα","","","0.0219","","","","0.0535","","","","","","1.088","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120952","10.6826","0.0005","19.2062","0.0009","14.3149","0.0006","90","","108.068","0.002","90","","2792.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tBuP2BCoN2","","","- C24 H44 B Co N4 P2 -","- C24 H44 B Co N4 P2 -","- C96 H176 B4 Co4 N16 P8 -","4","1","","Tzu-Pin Lin; Jonas C. Peters","Boryl-Mediated Reversible H2 Activation at Cobalt: Catalytic Hydrogenation, Dehydrogenation, and Transfer Hydrogenation","Journal of the American Chemical Society","2013","135","","15310","15313","10.1021/ja408397v","","","0.71073","MoKα","","0.0653","0.0381","","","0.0878","0.0989","","","","","","1.003","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120953","21.5465","0.001","21.5973","0.001","23.2708","0.0011","90","","90","","90","","10829","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","tBuP2BH2CoH2","","","- C24 H48 B Co N2 P2 -","- C24 H44 B Co N2 P2 -","- C384 H704 B16 Co16 N32 P32 -","16","4","","Tzu-Pin Lin; Jonas C. Peters","Boryl-Mediated Reversible H2 Activation at Cobalt: Catalytic Hydrogenation, Dehydrogenation, and Transfer Hydrogenation","Journal of the American Chemical Society","2013","135","","15310","15313","10.1021/ja408397v","","","0.71073","MoKα","","0.0805","0.0654","","","0.1606","0.1678","","","","","","1.008","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120954","11.8394","0.0012","14.3974","0.0016","32.035","0.003","90","","90","","90","","5460.6","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","tBuP2BHCoBH4","","","- C24 H49 B2 Co N2 P2 -","- C24 H49 B2 Co N2 P2 -","- C192 H392 B16 Co8 N16 P16 -","8","1","","Tzu-Pin Lin; Jonas C. Peters","Boryl-Mediated Reversible H2 Activation at Cobalt: Catalytic Hydrogenation, Dehydrogenation, and Transfer Hydrogenation","Journal of the American Chemical Society","2013","135","","15310","15313","10.1021/ja408397v","","","0.71073","MoKα","","0.071","0.0442","","","0.1332","0.15","","","","","","1.013","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120955","18.6056","0.0007","19.2797","0.0007","17.9414","0.0007","90","","90.705","0.003","90","","6435.3","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm),2EtOH","","","- C72 H82 Fe N10 O6 -","- C72 H82 Fe N10 O6 -","- C288 H328 Fe4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0746","0.0622","","","0.1754","0.1886","","","","","","1.028","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120956","18.7415","0.0006","19.4323","0.0006","17.8179","0.0006","90","","91.609","0.002","90","","6486.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)(O2)],1.5EtOH","","","- C71 H79 Fe N10 O7.5 -","- C71 H79 Fe N10 O7.5 -","- C284 H316 Fe4 N40 O30 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0738","0.0661","","","0.1787","0.1848","","","","","","1.131","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120957","18.8982","0.0019","19.479","0.002","18.313","0.002","90","","91.743","0.004","90","","6738.2","1.2","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)0.65(O2)],EtOH","","","- C70 H76 Fe N10 O6.3 -","- C70 H76 Fe N10 O6.29 -","- C280 H304 Fe4 N40 O25.16 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.1019","0.0873","","","0.252","0.2634","","","","","","1.185","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120958","18.6188","0.0009","19.3919","0.0009","17.9767","0.0009","90","","90.678","0.002","90","","6490.1","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)],2EtOH","","","- C72 H82 Fe N10 O6 -","- C72 H82 Fe N10 O6 -","- C288 H328 Fe4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0723","0.0618","","","0.1779","0.1901","","","","","","1.036","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120959","18.684","0.0006","19.4628","0.0006","17.766","0.0005","90","","91.612","0.002","90","","6457.9","0.3","80","2","80","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)(O2)],1.6EtOH","","","- C71.2 H79.6 Fe N10 O7.6 -","- C71.2 H79.6 Fe N10 O7.3 -","- C284.8 H318.4 Fe4 N40 O29.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0818","0.0784","","","0.1835","0.1851","","","","","","1.207","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120960","18.7058","0.0005","19.4848","0.0006","17.8094","0.0005","90","","91.598","0.001","90","","6488.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)(O2)],1.8EtOH","","","- C71.6 H80.8 Fe N10 O7.8 -","- C71.6 H80.8 Fe N10 O7.8 -","- C286.4 H323.2 Fe4 N40 O31.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0813","0.076","","","0.1828","0.1854","","","","","","1.205","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120961","18.7022","0.0006","19.4689","0.0007","17.7991","0.0006","90","","91.631","0.002","90","","6478.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)(O2)],1.8EtOH","","","- C71.6 H80.8 Fe N10 O7.8 -","- C71.6 H80.8 Fe N10 O7.8 -","- C286.4 H323.2 Fe4 N40 O31.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0774","0.0731","","","0.1791","0.1813","","","","","","1.188","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120962","18.7766","0.0005","19.5182","0.0006","18.0082","0.0005","90","","91.65","0.001","90","","6597","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)(O2)],1.8EtOH","","","- C71.6 H80.8 Fe N10 O7.8 -","- C71.6 H80.8 Fe N10 O7.8 -","- C286.4 H323.2 Fe4 N40 O31.2 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0543","0.0469","","","0.1347","0.1425","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120963","18.8646","0.0006","19.5555","0.0007","18.2826","0.0006","90","","91.778","0.002","90","","6741.3","0.4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(2-MeIm)0.9(O2)],1.4EtOH","","","- C70.8 H79.2 Fe N10 O7.2 -","- C70.8 H79.2 Fe N10 O7.2 -","- C283.2 H316.8 Fe4 N40 O28.8 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0852","0.0707","","","0.203","0.2144","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120964","18.4871","0.0008","19.0657","0.001","18.2617","0.0008","90","","90.01","0.002","90","","6436.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(1-EtIm)(O2)], benzene","","","- C75 H78 Fe N10 O6 -","- C75 H78 Fe N10 O6 -","- C300 H312 Fe4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.0927","0.0704","","","0.1603","0.1688","","","","","","1.208","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120965","18.5288","0.0009","19.207","0.001","18.4449","0.0008","90","","90.359","0.002","90","","6564.1","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(1-EtIm)(O2)], benzene","","","- C75 H78 Fe N10 O6 -","- C75 H78 Fe N10 O6 -","- C300 H312 Fe4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.1255","0.0601","","","0.1492","0.1849","","","","","","1.048","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120966","18.612","0.002","19.371","0.003","18.668","0.002","90","","90.815","0.007","90","","6729.8","1.5","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(1-EtIm)(O2)], benzene","","","- C75 H78 Fe N10 O6 -","- C75 H78 Fe N10 O6 -","- C300 H312 Fe4 N40 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.71073","MoKα","","0.1312","0.0636","","","0.1754","0.2205","","","","","","1.011","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120967","18.537","0.002","19.176","0.002","18.28","0.002","90","","91.074","0.002","90","","6496.8","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(1-MeIm)(O2)]1-MeIm, 0.48(PhCl), 0.28(1-MeIm)","","","- C72 H74.08 Cl0.48 Fe N10.56 O6 -","- C71.7 H70 Cl0.48 Fe N10.84 O5.98 -","- C286.8 H280 Cl1.92 Fe4 N43.36 O23.92 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.7749","synchrotron","","0.1012","0.0714","","","0.1928","0.2192","","","","","","1.033","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120968","18.6354","0.0014","19.3094","0.0014","18.4577","0.0013","90","","91.215","0.002","90","","6640.3","0.8","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(1-MeIm)(O2)]1-MeIm, 0.48(PhCl), 0.28(1-MeIm)","","","- C72 H74.08 Cl0.48 Fe N10.56 O6 -","- C71.696 H70 Cl0.48 Fe N10.84 O5.976 -","- C286.784 H280 Cl1.92 Fe4 N43.36 O23.904 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.7749","synchrotron","","0.0775","0.0595","","","0.1691","0.1842","","","","","","1.065","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120969","18.7509","0.0016","19.4484","0.0017","18.6503","0.0016","90","","91.267","0.001","90","","6799.6","1","300","2","300","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Fe(TpivPP)(1-MeIm)(O2)]1-MeIm, 0.48(PhCl), 0.28(1-MeIm)","","","- C72 H74.08 Cl0.48 Fe N10.56 O6 -","- C71.72 H70 Cl0.48 Fe N10.84 O6 -","- C286.88 H280 Cl1.92 Fe4 N43.36 O24 -","4","0.5","","Jianfeng Li; Bruce C. Noll; Allen G. Oliver; Charles E. Schulz; W. Robert Scheidt","Correlated Ligand Dynamics in Oxyiron Picket Fence Porphyrins: Structural and Mössbauer Investigations","Journal of the American Chemical Society","2013","135","","15627","15641","10.1021/ja408431z","","","0.7749","synchrotron","","0.092","0.0642","","","0.1822","0.207","","","","","","1.042","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120970","7.4148","0.0002","8.091","0.0002","11.0119","0.0003","99.725","0.002","95.624","0.001","101.077","0.001","633.18","0.03","200","2","200","2","","","","","","","","4","P -1","-P 1","2","2a in manuscript","","","- C14 H13 I O -","- C14 H13 I O -","- C28 H26 I2 O2 -","2","1","","Pascal Nösel; Laura Nunes dos Santos Comprido; Tobias Lauterbach; Matthias Rudolph; Frank Rominger; A. Stephen K. Hashmi","1,6-Carbene Transfer: Gold-Catalyzed Oxidative Diyne Cyclizations","Journal of the American Chemical Society","2013","135","","15662","15666","10.1021/ja4085385","","","0.71073","MoKα","","0.0276","0.0254","","","0.0598","0.0613","","","","","","1.122","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120971","6.62","0.002","8.488","0.003","15.977","0.006","96.591","0.012","101.95","0.008","100.568","0.009","852.4","0.5","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 O -","- C20 H26 O -","- C40 H52 O2 -","2","1","","Pascal Nösel; Laura Nunes dos Santos Comprido; Tobias Lauterbach; Matthias Rudolph; Frank Rominger; A. Stephen K. Hashmi","1,6-Carbene Transfer: Gold-Catalyzed Oxidative Diyne Cyclizations","Journal of the American Chemical Society","2013","135","","15662","15666","10.1021/ja4085385","","","0.71073","MoKα","","0.1126","0.0587","","","0.1259","0.1462","","","","","","1.063","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120972","6.6643","0.0018","8.344","0.002","23.072","0.006","90","","90","","90","","1283","0.6","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 I O2 -","- C16 H9 I O2 -","- C64 H36 I4 O8 -","4","1","","Pascal Nösel; Laura Nunes dos Santos Comprido; Tobias Lauterbach; Matthias Rudolph; Frank Rominger; A. Stephen K. Hashmi","1,6-Carbene Transfer: Gold-Catalyzed Oxidative Diyne Cyclizations","Journal of the American Chemical Society","2013","135","","15662","15666","10.1021/ja4085385","","","0.71073","MoKα","","0.0445","0.0335","","","0.0722","0.0748","","","","","","0.999","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120973","11.1951","0.0015","14.829","0.002","14.876","0.002","112.253","0.002","105.282","0.002","105.71","0.002","2005.9","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C87 H87 B F15 Mo N5 O6 -","- C87 H87 B F15 Mo N5 O6 -","- C87 H87 B F15 Mo N5 O6 -","1","1","","Matthew F. Cain; William P. Forrest; Dmitry V. Peryshkov; Richard R. Schrock; Peter Müller","Synthesis of a TREN in Which the Aryl Substituents are Part of a 45 Atom Macrocycle","Journal of the American Chemical Society","2013","135","","15338","15341","10.1021/ja408964g","","","0.71073","MoKα","","0.0678","0.0607","","","0.1629","0.1692","","","","","","1.05","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120974","19.9236","0.0016","20.4231","0.0016","22.4064","0.0017","90.449","0.002","90.293","0.002","118.409","0.001","8018.6","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H87 B F15 Mo N5 O6 -","- C78 H87 B F15 Mo N5 O6 -","- C312 H348 B4 F60 Mo4 N20 O24 -","4","2","","Matthew F. Cain; William P. Forrest; Dmitry V. Peryshkov; Richard R. Schrock; Peter Müller","Synthesis of a TREN in Which the Aryl Substituents are Part of a 45 Atom Macrocycle","Journal of the American Chemical Society","2013","135","","15338","15341","10.1021/ja408964g","","","0.71073","MoKα","","0.1248","0.0909","","","0.2651","0.2834","","","","","","1.051","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120975","19.2832","0.0004","13.3747","0.0003","20.5415","0.0004","90","","103.562","0.001","90","","5150.08","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H81 N4 O6 -","- C57 H81 N4 O6 -","- C228 H324 N16 O24 -","4","1","","Matthew F. Cain; William P. Forrest; Dmitry V. Peryshkov; Richard R. Schrock; Peter Müller","Synthesis of a TREN in Which the Aryl Substituents are Part of a 45 Atom Macrocycle","Journal of the American Chemical Society","2013","135","","15338","15341","10.1021/ja408964g","","","1.54178","CuKα","","0.1053","0.0653","","","0.1812","0.2107","","","","","","1.026","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120976","18.6748","0.0011","7.0415","0.0004","26.4106","0.0016","90","","96.6267","0.0007","90","","3449.8","0.4","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O6 -","- C20 H19 N O6 -","- C160 H152 N8 O48 -","8","2","","Gregory L. Lackner; Kyle W. Quasdorf; Larry E. Overman","Direct Construction of Quaternary Carbons from Tertiary Alcohols via Photoredox-Catalyzed Fragmentation of tert-Alkyl N-Phthalimidoyl Oxalates","Journal of the American Chemical Society","2013","135","","15342","15345","10.1021/ja408971t","","","0.71073","MoKα","","0.0509","0.0363","","","0.0822","0.0896","","","","","","1.014","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120977","13.9764","0.0011","6.0441","0.0005","14.2367","0.0011","90","","105.311","0.0009","90","","1159.96","0.16","143","2","143","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H44 O3 -","- C25 H44 O3 -","- C50 H88 O6 -","2","1","","Gregory L. Lackner; Kyle W. Quasdorf; Larry E. Overman","Direct Construction of Quaternary Carbons from Tertiary Alcohols via Photoredox-Catalyzed Fragmentation of tert-Alkyl N-Phthalimidoyl Oxalates","Journal of the American Chemical Society","2013","135","","15342","15345","10.1021/ja408971t","","","0.71073","MoKα","","0.0505","0.0402","","","0.0949","0.1005","","","","","","1.026","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120978","5.2962","0.0006","11.327","0.0013","17.3316","0.0018","90","","105.02","0.003","90","","1004.2","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F2 N6 S8 -","- C14 H10 F2 N6 S8 -","- C28 H20 F4 N12 S16 -","2","0.5","","Hoa Phan; Kristina Lekin; Stephen M. Winter; Richard T. Oakley; Michael Shatruk","Photoinduced Solid State Conversion of a Radical σ-Dimer to a π-Radical Pair","Journal of the American Chemical Society","2013","135","","15674","15677","10.1021/ja4055806","","","0.71073","MoKα","","0.0337","0.029","","","0.0644","0.0662","","","","","","1.128","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120979","5.1383","0.0008","11.411","0.0017","17.384","0.003","90","","105.192","0.004","90","","983.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 F N3 S4 -","- C7 H5 F N3 S4 -","- C28 H20 F4 N12 S16 -","4","1","","Hoa Phan; Kristina Lekin; Stephen M. Winter; Richard T. Oakley; Michael Shatruk","Photoinduced Solid State Conversion of a Radical σ-Dimer to a π-Radical Pair","Journal of the American Chemical Society","2013","135","","15674","15677","10.1021/ja4055806","","","0.71073","MoKα","","0.0496","0.0312","","","0.0653","0.0711","","","","","","1.066","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120980","13.119","0.0006","15.2041","0.0007","18.3188","0.0009","90","","90","","90","","3653.9","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 B2 F8 P2 Pd2 -","- C37 H48 B2 F8 P2 Pd2 -","- C148 H192 B8 F32 P8 Pd8 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0308","0.025","","","0.0421","0.0429","","","","","","1.558","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120981","18.02","0.004","15.34","0.003","13.56","0.003","90","","90","","90","","3748.3","1.4","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C37 H48 B2 F8 O P2 Pd2 -","- C37 H48 B2 F8 O P2 Pd2 -","- C148 H192 B8 F32 O4 P8 Pd8 -","4","0.5","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","x-ray","0.7293","synchrotron","","0.0245","0.0242","","","0.0649","0.0651","","","","","","1.106","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120982","15.2809","0.0008","12.8833","0.0006","18.3268","0.0009","90","","90.062","0.003","90","","3608","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 B2 F8 P2 Pd2 -","- C34 H42 B2 F8 P2 Pd2 -","- C136 H168 B8 F32 P8 Pd8 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0909","0.0711","","","0.1838","0.1986","","","","","","1.026","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120983","11.8911","0.0005","13.5564","0.0006","23.4012","0.0011","90","","100.514","0.002","90","","3708.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 B2 F8 P2 Pd2 -","- C36 H48 B2 F8 P2 Pd2 -","- C144 H192 B8 F32 P8 Pd8 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.1703","0.1656","","","0.324","0.3258","","","","","","1.097","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120984","19.29","0.0011","16.1824","0.0009","23.3891","0.0013","90","","90","","90","","7301.1","0.7","100","2","100.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H44 B2 F8 P2 Pd2 S -","- C34 H44 B2 F8 P2 Pd2 S -","- C272 H352 B16 F64 P16 Pd16 S8 -","8","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0418","0.0269","","","0.0624","0.0719","","","","","","1.06","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120985","17.95","0.004","15.271","0.003","13.363","0.003","90","","90","","90","","3663","1.4","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35 H46 B2 F8 P2 Pd2 S -","- C35 H46 B2 F8 P2 Pd2 S -","- C140 H184 B8 F32 P8 Pd8 S4 -","4","0.5","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","x-ray","0.7293","synchrotron","","0.0336","0.0333","","","0.088","0.0883","","","","","","1.069","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120986","18.338","0.004","15.222","0.003","13.065","0.003","90","","90","","90","","3647","1.4","100","","100","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35 H46 B2 F8 P2 Pd2 S -","- C35 H46 B2 F8 P2 Pd2 S -","- C140 H184 B8 F32 P8 Pd8 S4 -","4","0.5","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.7293","synchrotron","","0.0377","0.0376","","","0.1086","0.1089","","","","","","0.781","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120987","11.88","0.002","19.07","0.004","16.44","0.003","90","0.03","98.53","0.03","90","0.03","3683.3","1.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H46 B2 F8 O P2 Pd2 -","- C35 H46 B2 F8 O P2 Pd2 -","- C140 H184 B8 F32 O4 P8 Pd8 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","x-ray","0.7293","synchrotron","","0.041","0.0406","","","0.1093","0.1096","","","","","","1.113","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120988","9.9974","0.0004","14.9331","0.0006","28.0415","0.0011","90","","94.887","0.002","90","","4171.2","0.3","100","2","100.15","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 B2 F8 N O2 P2 Pd2 S -","- C39 H49 B2 F8 N O2 P2 Pd2 S -","- C156 H196 B8 F32 N4 O8 P8 Pd8 S4 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0243","0.0214","","","0.0479","0.0489","","","","","","1.111","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120989","31.05","0.006","15.19","0.003","20.77","0.004","90","","121.85","0.03","90","","8321","4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 B2 F8 N P2 Pd2 -","- C38 H47 B2 F8 N P2 Pd2 -","- C304 H376 B16 F64 N8 P16 Pd16 -","8","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","x-ray","0.7293","synchrotron","","0.0387","0.0377","","","0.101","0.1016","","","","","","1.159","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120990","19.3947","0.0011","11.1339","0.0006","20.5887","0.0012","90","","103.026","0.002","90","","4331.5","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 B2 F8 P2 Pd2 S -","- C44 H52 B2 F8 P2 Pd2 S -","- C176 H208 B8 F32 P8 Pd8 S4 -","4","0.5","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0432","0.0322","","","0.0614","0.0631","","","","","","1.667","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120991","8.6364","0.0003","15.3772","0.0006","25.2392","0.001","90","","91.591","0.002","90","","3350.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 B F4 P2 Pd2 -","- C33 H45 B F4 P2 Pd2 -","- C132 H180 B4 F16 P8 Pd8 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0673","0.0398","","","0.0807","0.0934","","","","","","1.072","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120992","14.6826","0.0006","13.1786","0.0005","17.8342","0.0007","90","","94.303","0.002","90","","3441.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 B F4 N2 P2 Pd2 -","- C34 H45 B F4 N2 P2 Pd2 -","- C136 H180 B4 F16 N8 P8 Pd8 -","4","1","","Sibo Lin; David E. Herbert; Alexandra Velian; Michael W. Day; Theodor Agapie","Dipalladium(I) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules","Journal of the American Chemical Society","2013","135","","15830","15840","10.1021/ja406696k","","","0.71073","MoKα","","0.0908","0.0509","","","0.1012","0.1115","","","","","","1.056","","","","has coordinates,has disorder","178986","2020-10-21","18:00:00",""
"4120993","21.9986","0.0003","21.9986","0.0003","29.9603","0.0006","90","","90","","90","","14498.9","0.4","293","","293","","","","","","","","","5","I 4/m","-I 4","87","","","","- C208 H198 Cl18 O112 U38 -","- C208 H200 Cl18 O114 U38 -","- C416 H400 Cl36 O228 U76 -","2","0.125","","Clément Falaise; Christophe Volkringer; Jean-François Vigier; Arnaud Beaurain; Pascal Roussel; Pierre Rabu; Thierry Loiseau","Isolation of the Large {Actinide}38 Poly-oxo Cluster with Uranium","Journal of the American Chemical Society","2013","135","","15678","15681","10.1021/ja4067207","","x-ray","0.71069","MoKα","","0.0799","0.0477","","","0.0631","0.0647","","","","2.32","2.32","1.94","","","","has coordinates,has Fobs","178986","2020-10-21","18:00:00",""
"4120994","8.7057","0.0004","8.7057","0.0004","12.7389","0.0009","90","","90","","90","","965.47","0.09","100","2","100","2","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- Li10 P2 S12 Sn -","- Li10 P2 S12 Sn -","- Li20 P4 S24 Sn2 -","2","0.125","","Philipp Bron; Sebastian Johansson; Klaus Zick; Jörn Schmedt auf der Günne; Stefanie Dehnen; Bernhard Roling","Li10SnP2S12: An Affordable Lithium Superionic Conductor","Journal of the American Chemical Society","2013","135","","15694","15697","10.1021/ja407393y","","","0.71073","MoKα","","0.0543","0.0366","","","0.0904","0.0954","","","","","","0.916","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120995","9.4348","0.0002","9.4885","0.0002","11.5808","0.0008","98.386","0.007","92.646","0.007","93.785","0.007","1021.78","0.08","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H28 Al4 B2 Br14 N4 -","- C14 H28 Al4 B2 Br14 N4 -","- C14 H28 Al4 B2 Br14 N4 -","1","0.5","","Aleksandrs Prokofjevs; Jeff W. Kampf; Andrey Solovyev; Dennis P. Curran; Edwin Vedejs","Weakly Stabilized Primary Borenium Cations and Their Dicationic Dimers","Journal of the American Chemical Society","2013","135","","15686","15689","10.1021/ja407458k","","","1.54178","CuKα","","0.0394","0.0371","","","0.0909","0.0927","","","","","","1.085","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120996","29.75","0.003","9.313","0.0008","15.7483","0.0014","90","","102.096","0.001","90","","4266.4","0.7","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H36 N8 O16 S2 Zn2 -","- C24 H36 N8 O16 S2 Zn2 -","- C96 H144 N32 O64 S8 Zn8 -","4","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagomé Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors","Journal of the American Chemical Society","2013","135","","15690","15693","10.1021/ja4075369","","","0.71073","MoKα","","0.0354","0.033","","","0.083","0.084","","","","","","1.027","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120997","29.744","0.003","9.3103","0.0008","15.7335","0.0014","90","","102.302","0.001","90","","4257","0.7","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H34 N8 O15 S2 Zn2 -","- C24 H34 N8 O15 S2 Zn2 -","- C96 H136 N32 O60 S8 Zn8 -","4","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagomé Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors","Journal of the American Chemical Society","2013","135","","15690","15693","10.1021/ja4075369","","","0.71073","MoKα","","0.0347","0.032","","","0.0809","0.082","","","","","","1.042","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120998","29.881","0.004","9.3128","0.0013","15.675","0.002","90","","102.553","0.002","90","","4257.7","1","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H34 Co2 N8 O15 S2 -","- C24 H34 Co2 N8 O15 S2 -","- C96 H136 Co8 N32 O60 S8 -","4","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagomé Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors","Journal of the American Chemical Society","2013","135","","15690","15693","10.1021/ja4075369","","","0.71073","MoKα","","0.0425","0.04","","","0.0991","0.1005","","","","","","1.023","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4120999","29.845","0.002","9.286","0.0007","15.6556","0.0011","90","","102.099","0.001","90","","4242.4","0.5","110","2","110","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H34 Co2 N8 O15 S2 -","- C24 H34 Co2 N8 O15 S2 -","- C96 H136 Co8 N32 O60 S8 -","4","1","","Kamal Kumar Bisht; Eringathodi Suresh","Spontaneous Resolution to Absolute Chiral Induction: Pseudo-Kagomé Type Homochiral Zn(II)/Co(II) Coordination Polymers with Achiral Precursors","Journal of the American Chemical Society","2013","135","","15690","15693","10.1021/ja4075369","","","0.71073","MoKα","","0.0314","0.0301","","","0.0766","0.0773","","","","","","1.046","","","","has coordinates","178986","2020-10-21","18:00:00",""
"4121000","8.4556","0.0002","10.655","0.0002","16.3491","0.0004","97.28","0.002","104.437","0.002","101.715","0.002","1372.09","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H46 Ir N O2 P2 -","- C24 H46 Ir N O2 P2 -","- C48 H92 Ir2 N2 O4 P4 -","2","1","","Marc D. Walter; Peter S. White; Cynthia K. Schauer; Maurice Brookhart","Stability and Dynamic Processes in 16VE Iridium(III) Ethyl Hydride and Rhodium(I) σ-Ethane Complexes: Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","15933","15947","10.1021/ja4079539","","","1.54178","CuKα","","0.0458","0.0424","","","0.1124","0.115","","","","","","1.037","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121001","8.3366","0.0003","12.2975","0.0004","13.5277","0.0005","100.065","0.002","96.798","0.002","105.223","0.002","1297.75","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H44 N O2 P2 Rh -","- C23 H44 N O2 P2 Rh -","- C46 H88 N2 O4 P4 Rh2 -","2","1","","Marc D. Walter; Peter S. White; Cynthia K. Schauer; Maurice Brookhart","Stability and Dynamic Processes in 16VE Iridium(III) Ethyl Hydride and Rhodium(I) σ-Ethane Complexes: Experimental and Computational Studies","Journal of the American Chemical Society","2013","135","","15933","15947","10.1021/ja4079539","","","1.54178","CuKα","","0.0325","0.0283","","","0.0698","0.0716","","","","","","1.038","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121002","5.887","0.003","17.087","0.008","7.825","0.004","90","","90.886","0.008","90","","787","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H30 N6 S2 -","- C8 H30 N6 S2 -","- C16 H60 N12 S4 -","2","0.5","","David H. Webber; Richard L. Brutchey","Alkahest for V2VI3 Chalcogenides: Dissolution of Nine Bulk Semiconductors in a Diamine-Dithiol Solvent Mixture","Journal of the American Chemical Society","2013","135","","15722","15725","10.1021/ja4084336","","","0.71073","MoKα","","0.0236","0.0219","","","0.0611","0.0626","","","","","","1.058","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121003","10.6788","0.0012","20.598","0.002","13.0284","0.0015","90","","96.784","0.004","90","","2845.7","0.5","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55 H43 F3 N3 O3 P Pd S -","- C55 H43 F3 N3 O3 P Pd S -","- C110 H86 F6 N6 O6 P2 Pd2 S2 -","2","1","","Abel Ros; Beatriz Estepa; Pedro Ramírez-López; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Dynamic Kinetic Cross-Coupling Strategy for the Asymmetric Synthesis of Axially Chiral Heterobiaryls","Journal of the American Chemical Society","2013","135","","15730","15733","10.1021/ja4087819","","","0.71073","MoKα","","0.0823","0.0551","","","0.1202","0.1308","","","","","","0.929","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121004","9.4525","0.0003","9.9174","0.0003","11.0529","0.0003","76.636","0.002","74.816","0.001","82.599","0.001","970.32","0.05","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C54 H38 N2 O4 -","2","2","","Abel Ros; Beatriz Estepa; Pedro Ramírez-López; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Dynamic Kinetic Cross-Coupling Strategy for the Asymmetric Synthesis of Axially Chiral Heterobiaryls","Journal of the American Chemical Society","2013","135","","15730","15733","10.1021/ja4087819","","","1.54178","CuKα","","0.0256","0.0254","","","0.0673","0.0675","","","","","","1.032","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121005","14.4502","0.0001","29.0584","0.0002","15.5096","0.0001","90","","95.743","0.001","90","","6479.79","0.08","130","","130","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 B2 Cu2 F8 N17 O4 S2 -","- C54 H82 B2 Cu2 F8 N17 O4 S2 -","- C216 H328 B8 Cu8 F32 N68 O16 S8 -","4","1","","James L. Hickey; SinChun Lim; David J. Hayne; Brett M. Paterson; Jonathan M. White; Victor L. Villemagne; Peter Roselt; David Binns; Carleen Cullinane; Charmaine M. Jeffery; Roger I. Price; Kevin J. Barnham; Paul S. Donnelly","Diagnostic Imaging Agents for Alzheimer's Disease: Copper Radiopharmaceuticals that Target Aβ Plaques","Journal of the American Chemical Society","2013","135","","16120","16132","10.1021/ja4057807","","","1.5418","CuKα","","0.0473","0.0404","","","0.1037","0.1078","","","","","","1.034","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121006","10.041","0.0001","8.7807","0.0001","36.4738","0.0005","90","","96.735","0.001","90","","3193.59","0.07","130","","130","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 B Cu F4 N9 O2 S -","- C27 H40 B Cu F4 N9 O2 S -","- C108 H160 B4 Cu4 F16 N36 O8 S4 -","4","1","","James L. Hickey; SinChun Lim; David J. Hayne; Brett M. Paterson; Jonathan M. White; Victor L. Villemagne; Peter Roselt; David Binns; Carleen Cullinane; Charmaine M. Jeffery; Roger I. Price; Kevin J. Barnham; Paul S. Donnelly","Diagnostic Imaging Agents for Alzheimer's Disease: Copper Radiopharmaceuticals that Target Aβ Plaques","Journal of the American Chemical Society","2013","135","","16120","16132","10.1021/ja4057807","","","1.5418","CuKα","","0.0458","0.0402","","","0.0992","0.1033","","","","","","1.04","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121007","10.5117","0.0007","10.5117","0.0007","23.576","0.002","90","","90","","120","","2256","0.3","240","2","240","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H30 Cl2 Fe N24 O8 -","- C30 H30 Cl2 Fe N24 O8 -","- C60 H60 Cl4 Fe2 N48 O16 -","2","0.166667","","Eugenio Coronado; Mónica Giménez-Marqués; Guillermo Mínguez Espallargas; Fernando Rey; Iñigo J. Vitórica-Yrezábal","Spin-Crossover Modification through Selective CO2 Sorption","Journal of the American Chemical Society","2013","135","","15986","15989","10.1021/ja407135k","","","0.71073","MoKα","","0.2033","0.0984","","","0.2367","0.2975","","","","","","1.009","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121008","10.3668","0.0004","10.3668","0.0004","23.1504","0.0017","90","","90","","120","","2154.7","0.2","120","2","120","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C30 H30 Cl2 Fe N24 O8 -","- C30 H30 Cl2 Fe N24 O8 -","- C60 H60 Cl4 Fe2 N48 O16 -","2","0.166667","","Eugenio Coronado; Mónica Giménez-Marqués; Guillermo Mínguez Espallargas; Fernando Rey; Iñigo J. Vitórica-Yrezábal","Spin-Crossover Modification through Selective CO2 Sorption","Journal of the American Chemical Society","2013","135","","15986","15989","10.1021/ja407135k","","","0.71073","MoKα","","0.1206","0.0669","","","0.1678","0.1943","","","","","","1.062","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121009","10.514099","0.000041","10.514099","0.000041","23.58029","0.00019","90","","90","","120","","2257.48","0.02","298","","298","","","","","","","","see text","6","P 63/m","-P 6c","176","","","","- C30.93 H30 Cl2 Fe N24 O9.86 -","- C30.93 H30 Cl2 Fe N24 O9.86 -","- C61.86 H60 Cl4 Fe2 N48 O19.72 -","2","0.166667","","Eugenio Coronado; Mónica Giménez-Marqués; Guillermo Mínguez Espallargas; Fernando Rey; Iñigo J. Vitórica-Yrezábal","Spin-Crossover Modification through Selective CO2 Sorption","Journal of the American Chemical Society","2013","135","","15986","15989","10.1021/ja407135k","powder diffraction","x-ray","0.826179","synchrotron","","","","","","","","","","1.63","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121010","9.079","0.007","19.085","0.007","24.21","0.03","106.28","0.03","99.73","0.02","92.6","0.02","3950","6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H62 Cl2 N2 Si2 -","- C40 H62 Cl2 N2 Si2 -","- C160 H248 Cl8 N8 Si8 -","4","2","","Kartik Chandra Mondal; Herbert W. Roesky; Birger Dittrich; Nicole Holzmann; Markus Hermann; Gernot Frenking; Alke Meents","Formation of a 1,4-Diamino-2,3-disila-1,3-butadiene Derivative","Journal of the American Chemical Society","2013","135","","15990","15993","10.1021/ja4072139","","","0.6199","synchrotron","","0.0591","0.0525","","","0.1486","0.1538","","","","","","1.036","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121011","10.177","0.004","14.588","0.005","15.114","0.006","90","","90","","90","","2243.9","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl4 N Si -","- C20 H31 Cl4 N Si -","- C80 H124 Cl16 N4 Si4 -","4","1","","Kartik Chandra Mondal; Herbert W. Roesky; Birger Dittrich; Nicole Holzmann; Markus Hermann; Gernot Frenking; Alke Meents","Formation of a 1,4-Diamino-2,3-disila-1,3-butadiene Derivative","Journal of the American Chemical Society","2013","135","","15990","15993","10.1021/ja4072139","","","0.6358","synchrotron","","0.0348","0.0346","","","0.0917","0.0919","","","","","","1.059","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121012","21.9545","0.0008","8.8698","0.0003","21.0407","0.0006","90","","108.238","0.001","90","","3891.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H39 N2 O2 P2 Rh -","- C48 H39 N2 O2 P2 Rh -","- C192 H156 N8 O8 P8 Rh4 -","4","1","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.0605","0.0369","","","0.0729","0.0806","","","","","","1.014","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121013","13.1773","0.001","13.8413","0.0011","25.516","0.002","86.638","0.004","82.439","0.004","86.857","0.004","4600.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C114 H96 N2 O2 P4 Rh2 -","- C114 H96 N2 O2 P4 Rh2 -","- C228 H192 N4 O4 P8 Rh4 -","2","1","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.1169","0.0633","","","0.1369","0.159","","","","","","1.061","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121014","39.8816","0.0013","9.2561","0.0003","18.4623","0.0005","90","","94.783","0.001","90","","6791.6","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H43 Cu N4 -","- C38 H43 Cu N4 -","- C304 H344 Cu8 N32 -","8","1","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.0749","0.0473","","","0.103","0.1177","","","","","","1.015","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121015","12.0531","0.0005","13.9592","0.0006","14.5517","0.0006","115.685","0.002","93.334","0.002","110.415","0.002","2003.32","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H51 Cu N4 O2 -","- C46 H51 Cu N4 O2 -","- C92 H102 Cu2 N8 O4 -","2","1","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.0695","0.0408","","","0.0901","0.1001","","","","","","1.025","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121016","18.5118","0.0008","16.7517","0.0008","50.634","0.003","90","","90.695","0.002","90","","15700.7","1.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H78 Cu2 N6 O2 -","- C66 H74.5 Cu2 N6 O2 -","- C528 H596 Cu16 N48 O16 -","8","1","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.1265","0.0835","","","0.2215","0.2397","","","","","","0.993","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121017","13.9342","0.0005","11.5883","0.0004","11.6742","0.0003","90","","106.907","0.001","90","","1803.6","0.1","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","2","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.0523","0.035","","","0.0967","0.1151","","","","","","1.123","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121018","9.3412","0.0006","10.1759","0.0008","10.8764","0.0008","90","","98.451","0.004","90","","1022.63","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","Vincent T. Annibale; Daniel A. Dalessandro; Datong Song","Tuning the Reactivity of an Actor Ligand for Tandem CO2 and C-H Activations: From Spectator Metals to Metal-Free","Journal of the American Chemical Society","2013","135","","16175","16183","10.1021/ja4073832","","","0.71073","MoKα","","0.0585","0.0398","","","0.0961","0.1045","","","","","","1.056","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121019","15.823","0.0011","15.9244","0.001","16.5291","0.0013","67.867","0.007","61.943","0.007","72.387","0.006","3364.3","0.5","173.01","0.1","173.01","0.1","","","","","","","","10","P -1","-P 1","2","","","","- C115 H96 Ag2 Au6 B4 Cl12 F16 N6 O6 P6 -","- C115 H84 Ag2 Au6 B4 Cl12 F16 N6 O6 P6 -","- C115 H84 Ag2 Au6 B4 Cl12 F16 N6 O6 P6 -","1","0.5","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","0.71073","MoKα","","0.0722","0.052","","","0.1329","0.1513","","","","","","1.043","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121020","15.3322","0.0011","15.4373","0.0009","16.4557","0.0011","82.767","0.005","64.786","0.007","73.405","0.006","3377","0.4","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C123 H124 Ag2 Au6 B4 Cl4 F16 N6 O12 P6 -","- C123 H124 Ag2 Au6 B4 Cl4 F16 N6 O12 P6 -","- C123 H124 Ag2 Au6 B4 Cl4 F16 N6 O12 P6 -","1","0.5","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","0.71073","MoKα","","0.0863","0.0594","","","0.1526","0.1799","","","","","","1.028","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121021","13.9185","0.001","14.5434","0.0018","18.3354","0.0018","106.857","0.01","94.398","0.007","115.063","0.01","3131.2","0.7","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H60 Ag Au3 B2 F8 N3 O7 P3 -","- C60 H60 Ag Au3 B2 F8 N3 O7 P3 -","- C120 H120 Ag2 Au6 B4 F16 N6 O14 P6 -","2","1","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","0.71073","MoKα","","0.0958","0.0599","","","0.1133","0.138","","","","","","1.041","","","","has coordinates","264242","2021-04-16","08:52:16",""
"4121022","21.5456","0.0007","21.5456","0.0007","68.438","0.002","90","","90","","120","","27513.5","1.5","100","2","100","2","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C157 H138 Ag2 Au6 B4 F16 N12 P6 -","- C157 H138 Ag2 Au6 B4 F16 N12 P6 -","- C942 H828 Ag12 Au36 B24 F96 N72 P36 -","6","0.333333","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","1.54178","CuKα","","0.1391","0.084","","","0.2254","0.2796","","","","","","1.117","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121023","21.5216","0.0014","21.5216","0.0014","68.567","0.004","90","","90","","120","","27504","3","100","2","100","2","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C157 H138 Ag2 Au6 B4 F16 N12 P6 -","- C157 H138 Ag2 Au6 B4 F16 N12 P6 -","- C942 H828 Ag12 Au36 B24 F96 N72 P36 -","6","0.333333","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","1.54178","CuKα","","0.1231","0.0901","","","0.2504","0.2833","","","","","","1.153","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121024","14.9418","0.0003","18.9928","0.0004","28.0858","0.0005","90","","92.507","0.002","90","","7962.7","0.3","100","2","100","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C149 H128 Ag2 Au6 B4 Cl8 F16 N12 O2 P6 -","- C149 H114 Ag2 Au6 B4 Cl8 F16 N12 O2 P6 -","- C298 H228 Ag4 Au12 B8 Cl16 F32 N24 O4 P12 -","2","0.5","","Yang Yang; Xiao-Li Pei; Quan-Ming Wang","Postclustering Dynamic Covalent Modification for Chirality Control and Chiral Sensing","Journal of the American Chemical Society","2013","135","","16184","16191","10.1021/ja4075419","","","1.54178","CuKα","","0.0703","0.055","","","0.1602","0.1826","","","","","","0.892","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121025","20.186","0.002","21.558","0.002","12.0133","0.0012","90","","99.687","0.002","90","","5153.3","0.9","100","0.5","100","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","weixsb02","","","- C27 H35 I N2 Ni -","- C27 H35 I N2 Ni -","- C216 H280 I8 N16 Ni8 -","8","2","","Soumik Biswas; Daniel J. Weix","Mechanism and Selectivity in Nickel-Catalyzed Cross-Electrophile Coupling of Aryl Halides with Alkyl Halides","Journal of the American Chemical Society","2013","135","","16192","16197","10.1021/ja407589e","","","0.71073","MoKα","","0.0621","0.0366","","","0.0793","0.0896","","","","","","1.026","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121026","15.7624","0.0019","13.6449","0.0016","9.7734","0.0012","90","","90","","90","","2102","0.4","100","0.5","100","0.5","","","","","","","","5","P n m a","-P 2ac 2n","62","weixsb03","","","- C18 H24 I2 N2 Ni -","- C18 H24 I2 N2 Ni -","- C72 H96 I8 N8 Ni4 -","4","0.5","","Soumik Biswas; Daniel J. Weix","Mechanism and Selectivity in Nickel-Catalyzed Cross-Electrophile Coupling of Aryl Halides with Alkyl Halides","Journal of the American Chemical Society","2013","135","","16192","16197","10.1021/ja407589e","","","0.71073","MoKα","","0.0761","0.0411","","","0.0765","0.0867","","","","","","1.049","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121027","6.158","0.003","7.113","0.004","18.42","0.009","90","","102","0.015","90","","789.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MA-Mn-N3-173K","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0516","0.0467","","","0.1438","0.1561","","","","","","1.091","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121028","6.199","0.002","7.18","0.003","18.379","0.007","90","","102.08","0.005","90","","799.9","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3MA200","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0706","0.0479","","","0.1264","0.1393","","","","","","1.06","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121029","6.203","0.002","7.199","0.003","18.345","0.007","90","","102.108","0.005","90","","801","0.5","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3MA230","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0824","0.055","","","0.1821","0.2048","","","","","","1.174","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121030","6.2207","0.0018","7.253","0.002","18.333","0.005","90","","102.178","0.005","90","","808.5","0.4","260","2","260","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3MA260","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0861","0.05","","","0.155","0.226","","","","","","1.16","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121031","9.0178","0.0016","7.3951","0.0013","12.575","0.002","90","","102.369","0.002","90","","819.1","0.2","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3MA290","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0504","0.0379","","","0.096","0.1052","","","","","","1.03","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121032","9.0165","0.0003","7.3957","0.0002","12.5731","0.0004","90","","102.397","0.001","90","","818.87","0.04","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MA-Mn-N3-298K","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0341","0.0321","","","0.0771","0.0787","","","","","","1.073","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121033","9.023","0.003","7.405","0.002","12.58","0.004","90","","102.338","0.004","90","","821.1","0.4","320","2","320","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3MA320","","","- C H6 Mn N10 -","- C H6 Mn N10 -","- C4 H24 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0578","0.042","","","0.1086","0.1198","","","","","","1.057","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121034","6.211","0.0018","10.058","0.003","7.165","0.002","90","","93.614","0.004","90","","446.7","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","DMA-Mn-N3-173K","","","- C2 H8 Mn N10 -","- C2 H8 Mn N10 -","- C4 H16 Mn2 N20 -","2","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0425","0.0407","","","0.1171","0.119","","","","","","1.166","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121035","12.1491","0.0019","12.284","0.002","12.216","0.002","90","","90","","90","","1823.1","0.5","323","2","323","2","","","","","","","","4","C m c a","-C 2ac 2","64","DMA-Mn-N3-323K","","","- C2 H8 Mn N10 -","- C2 H8 Mn N10 -","- C16 H64 Mn8 N80 -","8","","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0531","0.0486","","","0.1396","0.1451","","","","","","1.094","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121036","8.4136","0.0008","9.2474","0.0008","12.8074","0.0012","90","","105.969","0.001","90","","958.01","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3TriMA173K","","","- C3 H10 Mn N10 -","- C3 H10 Mn N10 -","- C12 H40 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0233","0.0205","","","0.0561","0.0587","","","","","","1.068","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121037","8.4258","0.0007","9.271","0.0008","12.824","0.0011","90","","105.76","0.001","90","","964.1","0.14","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3TriMA223K","","","- C3 H10 Mn N10 -","- C3 H10 Mn N10 -","- C12 H40 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0263","0.023","","","0.0594","0.0632","","","","","","1.12","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121038","8.4377","0.0008","9.3015","0.0008","12.848","0.0012","90","","105.566","0.001","90","","971.37","0.15","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MnN3TriMA273K","","","- C3 H10 Mn N10 -","- C3 H10 Mn N10 -","- C12 H40 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0333","0.0287","","","0.0736","0.079","","","","","","1.096","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121039","8.464","0.006","9.324","0.005","12.882","0.007","90","","105.466","0.014","90","","979.8","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TriMA-Mn-N3-298K","","","- C3 H10 Mn N10 -","- C3 H10 Mn N10 -","- C12 H40 Mn4 N40 -","4","1","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0359","0.0294","","","0.0844","0.0908","","","","","","1.071","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121040","8.4529","0.0013","9.3581","0.0014","12.884","0.002","90","","105.265","0.002","90","","983.2","0.3","330","2","330","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MnN3TriMA330K","","","- C3 H10 Mn N10 -","- C3 H Mn N10 -","- C12 H4 Mn4 N40 -","4","0.5","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0314","0.028","","","0.085","0.0901","","","","","","1.168","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121041","8.502","0.016","9.431","0.017","12.93","0.02","90","","104.77","0.02","90","","1003","3","350","2","350","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","MnN3TriMA350K","","","- C3 H10 Mn N10 -","- C3 H Mn N10 -","- C12 H4 Mn4 N40 -","4","0.5","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.042","0.0378","","","0.1139","0.1199","","","","","","1.138","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121042","9.663","0.011","9.663","0.011","9.312","0.01","90","","90","","120","","753","1.5","360","2","360","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","MnN3TriMA360K","","","- C3 H10 Mn N10 -","- C3 Mn N10 -","- C9 Mn3 N30 -","3","0.0833333","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0305","0.0305","","","0.0812","0.0812","","","","","","1.202","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121043","9.6669","0.0017","9.6669","0.0017","9.3443","0.0017","90","","90","","120","","756.2","0.2","393","2","393","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","MnN3TriMA393K","","","- C3 H10 Mn N10 -","- C3 Mn N10 -","- C9 Mn3 N30 -","3","0.0833333","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0304","0.0304","","","0.0799","0.0799","","","","","","1.163","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121044","6.189","0.005","13.173","0.01","6.284","0.005","90","","90.129","0.011","90","","512.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","TMA-Mn-N3-173K","","","- C4 H12 Mn N10 -","- C4 H12 Mn N10 -","- C8 H24 Mn2 N20 -","2","0.5","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.0484","0.0415","","","0.1473","0.1509","","","","","","1.293","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121045","6.4505","0.0017","6.4505","0.0017","6.4505","0.0017","90","","90","","90","","268.4","0.12","333","2","333","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","TMA-Mn-N3-333K","","","- C4 H12 Mn N10 -","- C3.96 Mn N10 -","- C3.96 Mn N10 -","1","0.0208333","","Xin-Hua Zhao; Xing-Cai Huang; Shao-Liang Zhang; Dong Shao; Hai-Yan Wei; Xin-Yi Wang","Cation-Dependent Magnetic Ordering and Room-Temperature Bistability in Azido-Bridged Perovskite-Type Compounds","Journal of the American Chemical Society","2013","135","","16006","16009","10.1021/ja407654n","","","0.71073","MoKα","","0.03","0.03","","","0.0739","0.0739","","","","","","1.303","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121046","11.0392","0.0012","16.9437","0.0019","13.2777","0.0015","90","","111.336","0.002","90","","2313.3","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jonyj08","","","- C19 H34 B Cl N6 P Rh -","- C19 H34 B Cl N6 P Rh -","- C76 H136 B4 Cl4 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.1067","0.05","","","0.0839","0.101","","","","","","0.979","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121047","9.5771","0.0007","13.5751","0.001","21.7735","0.0016","90","","101.942","0.002","90","","2769.5","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonyj28","","","- C24 H41 B N6 P Rh -","- C24 H41 B N6 P Rh -","- C96 H164 B4 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0986","0.0496","","","0.1011","0.1202","","","","","","1.008","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121048","15.1866","0.0009","14.0426","0.0008","26.4214","0.0015","90","","90","","90","","5634.6","0.6","100","0.1","100","0.1","","","","","","","","8","P b c a","-P 2ac 2ab","61","jonyj27","","","- C23 H41 B N6 O0.26 P Rh Si -","- C23 H41 B N6 O0.256 P Rh Si -","- C184 H328 B8 N48 O2.048 P8 Rh8 Si8 -","8","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0917","0.0466","","","0.095","0.1147","","","","","","1.006","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121049","13.9414","0.0013","15.3529","0.0015","16.2538","0.0015","99.027","0.002","92.4","0.002","108.194","0.002","3248.8","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jonyj24","","","- C26 H45 B N6 P Rh -","- C26 H45 B N6 P Rh -","- C104 H180 B4 N24 P4 Rh4 -","4","2","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.1095","0.0562","","","0.1116","0.127","","","","","","0.939","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121050","16.8292","0.0009","13.9712","0.0008","21.4798","0.0012","90","","90","","90","","5050.4","0.5","100","0.1","100","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","jonyj30","","","- C21 H32 B F3 N6 P Rh -","- C21 H32 B F3 N6 P Rh -","- C168 H256 B8 F24 N48 P8 Rh8 -","8","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0943","0.0551","","","0.1387","0.1662","","","","","","1.007","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121051","12.1163","0.0018","15.363","0.002","14.04","0.002","90","","100.178","0.003","90","","2572.3","0.6","100","0.1","100","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","jonyj25","","","- C21 H32 B F3 N6 P Rh -","- C21 H32 B F3 N6 P Rh -","- C84 H128 B4 F12 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.1085","0.0595","","","0.1327","0.1549","","","","","","1.019","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121052","8.0904","0.0008","10.2083","0.0011","17.4412","0.0018","74.207","0.002","84.357","0.002","76.806","0.002","1348.5","0.2","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","jonyj23","","","- C26 H37 B N6 P Rh -","- C26 H37 B N6 P Rh -","- C52 H74 B2 N12 P2 Rh2 -","2","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0875","0.0487","","","0.0914","0.1059","","","","","","0.978","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121053","13.377","0.0018","13.806","0.0018","30.587","0.004","90","","90","","90","","5648.9","1.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","jonyj17","","","- C24 H42 B Br N6 P Rh -","- C24 H42 B Br N6 P Rh -","- C192 H336 B8 Br8 N48 P8 Rh8 -","8","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0912","0.0436","","","0.0813","0.0954","","","","","","1.006","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121054","13.189","0.003","19.265","0.004","13.884","0.003","90","","102.158","0.004","90","","3448.6","1.3","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","jonyj10","","","- C23 H42 B Br N6 O P Rh -","- C23 H42 B Br N6 O P Rh -","- C92 H168 B4 Br4 N24 O4 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0771","0.0436","","","0.0952","0.1042","","","","","","0.972","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121055","10.0609","0.0013","19.046","0.002","14.1549","0.0018","90","","98.96","0.002","90","","2679.3","0.6","100","0.1","100","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","jonyj16","","","- C21.67 H35.59 B Br Cl0.08 N6 P Rh -","- C21.672 H35.59 B Br Cl0.082 N6 P Rh -","- C86.688 H142.36 B4 Br4 Cl0.328 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.1413","0.0614","","","0.1055","0.1314","","","","","","1.004","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121056","10.5968","0.0006","20.1506","0.0011","12.9951","0.0007","90","","111.081","0.001","90","","2589.2","0.2","100","0.1","100","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","jonyj18","","","- C21 H36 B Br N6 O P Rh -","- C21 H36 B Br N6 O P Rh -","- C84 H144 B4 Br4 N24 O4 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0657","0.0402","","","0.0956","0.1059","","","","","","1.035","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121057","8.2129","0.0006","10.7768","0.0009","19.1015","0.0015","75.071","0.001","82.528","0.002","72.3","0.001","1553.8","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","jonyj19","","","- C23 H42 B Cl N6 P Rh -","- C23 H42 B Cl N6 P Rh -","- C46 H84 B2 Cl2 N12 P2 Rh2 -","2","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.056","0.0406","","","0.0871","0.0926","","","","","","1.009","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121058","12.77","0.005","15.53","0.005","14.089","0.005","90","","110.42","0.006","90","","2618.5","1.6","100","0.1","100","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","jonyj20","","","- C23 H40 B Cl N6 P Rh -","- C23 H40 B Cl N6 P Rh -","- C92 H160 B4 Cl4 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0809","0.0508","","","0.0853","0.0946","","","","","","1.011","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121059","11.1913","0.0008","19.7442","0.0014","12.701","0.0009","90","","110.943","0.001","90","","2621.1","0.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","jonyj29","","","- C20 H33 B Br F3 N6 P Rh -","- C20 H33 B Br F3 N6 P Rh -","- C80 H132 B4 Br4 F12 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.0729","0.0369","","","0.0761","0.0878","","","","","","1.009","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121060","11.0116","0.0013","16.6614","0.0019","13.1452","0.0015","90","","110.998","0.002","90","","2251.6","0.5","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","jonyj13","","","- C18 H32 B Cl N6 P Rh -","- C18 H31 B Cl N6 P Rh -","- C72 H124 B4 Cl4 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.1047","0.0553","","","0.1295","0.1547","","","","","","1.013","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121061","11.328","0.002","12.653","0.003","17.643","0.004","90","","91.716","0.004","90","","2527.7","0.9","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonyj22","","","- C22 H37 B N6 P Rh -","- C22 H37 B N6 P Rh -","- C88 H148 B4 N24 P4 Rh4 -","4","1","","Yunzhe Jiao; James Morris; William W. Brennessel; William D. Jones","Kinetic and Thermodynamic Selectivity of Intermolecular C-H Activation at [Tp'Rh(PMe3)]. How Does the Ancillary Ligand Affect the Metal-Carbon Bond Strength?","Journal of the American Chemical Society","2013","135","","16198","16212","10.1021/ja4080985","","","0.71073","MoKα","","0.1249","0.059","","","0.1045","0.1265","","","","","","0.977","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121062","9.8367","0.0004","16.3797","0.0008","27.5565","0.0014","90","","90.435","0.003","90","","4439.8","0.4","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cl2 O12 P2 Pt -","- C42 H48 Cl2 O12 P2 Pt -","- C168 H192 Cl8 O48 P8 Pt4 -","4","1","","Alisha M. Bohnsack; Ilich A. Ibarra; Vladimir I. Bakhmutov; Vincent M. Lynch; Simon M. Humphrey","Rational Design of Porous Coordination Polymers Based on Bis(phosphine)MCl2 Complexes That Exhibit High-Temperature H2 Sorption and Chemical Reactivity","Journal of the American Chemical Society","2013","135","","16038","16041","10.1021/ja408508m","","","0.71073","MoKα","","0.1248","0.0912","","","0.1951","0.205","","","","","","1.162","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121063","23.9532","0.0019","25.725","0.002","14.8141","0.0012","90","","90","","90","","9128.4","1.3","100","2","100","","","","","","","","","7","I m m a","-I 2b 2","74","","","","- C34 H24 Cl2 O10 P2 Pd Zn2 -","- C34 H24 Cl2 O10 P2 Pd Zn2 -","- C136 H96 Cl8 O40 P8 Pd4 Zn8 -","4","0.25","","Alisha M. Bohnsack; Ilich A. Ibarra; Vladimir I. Bakhmutov; Vincent M. Lynch; Simon M. Humphrey","Rational Design of Porous Coordination Polymers Based on Bis(phosphine)MCl2 Complexes That Exhibit High-Temperature H2 Sorption and Chemical Reactivity","Journal of the American Chemical Society","2013","135","","16038","16041","10.1021/ja408508m","","","0.71075","MoKα","","0.1738","0.1082","","","0.2722","0.318","","","","","","1.079","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121064","24.574","0.005","26.507","0.005","15.152","0.003","90","","90","","90","","9870","3","120","2","120","2","","","","","","","","7","I m m a","-I 2b 2","74","PCM-18","","","- C34 H24 Cl2 O10 P2 Pt Zn2 -","- C34 H24 Cl2 O10 P2 Pt Zn2 -","- C136 H96 Cl8 O40 P8 Pt4 Zn8 -","4","0.25","","Alisha M. Bohnsack; Ilich A. Ibarra; Vladimir I. Bakhmutov; Vincent M. Lynch; Simon M. Humphrey","Rational Design of Porous Coordination Polymers Based on Bis(phosphine)MCl2 Complexes That Exhibit High-Temperature H2 Sorption and Chemical Reactivity","Journal of the American Chemical Society","2013","135","","16038","16041","10.1021/ja408508m","","","0.710747","MoKα","","0.0729","0.0588","","","0.1523","0.1608","","","","","","1.077","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121065","17.7051","0.001","22.871","0.0013","23.0215","0.0012","92.678","0.005","90.246","0.004","108.429","0.005","8832.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C156 H167 Br4 N36 Ni8 O12 -","- C156 H167 Br4 N36 Ni8 O12 -","- C312 H334 Br8 N72 Ni16 O24 -","2","1","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.1559","0.1146","","","0.3257","0.3749","","","","","","1.13","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121066","20.8988","0.0002","20.8988","0.0002","20.8988","0.0002","90","","90","","90","","9127.76","0.15","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C2.88 H2.88 Cl0.08 N0.72 Ni0.16 -","- C2.88 H2.88 Cl0.08 N0.72 Ni0.16 -","- C288 H288 Cl8 N72 Ni16 -","100","2.08333","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.0384","0.0336","","","0.086","0.0886","","","","","","1.033","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121067","21.1338","0.0001","21.1338","0.0001","21.1338","0.0001","90","","90","","90","","9439.15","0.08","293","2","293","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C3.12 H2.88 Br0.08 N0.96 Ni0.16 O0.02 -","- C3.12 H2.88 Br0.08 N0.72 Ni0.16 -","- C312 H288 Br8 N72 Ni16 -","100","2.08333","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.0573","0.0539","","","0.1364","0.1418","","","","","","1.248","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121068","36.4995","0.001","19.4684","0.0003","29.9799","0.0014","90","","119.849","0.004","90","","18477.2","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H132 Br16 N36 Ni8 -","- C144 H132 Br16 N36 Ni8 -","- C576 H528 Br64 N144 Ni32 -","4","0.5","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.0885","0.0823","","","0.2474","0.2545","","","","","","1.035","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121069","17.2136","0.0004","17.2136","0.0004","32.7939","0.0019","90","","90","","90","","9717.1","0.6","293","2","293","2","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C2.8 H3.73 Br0.08 N1.4 Ni0.27 O0.06 -","- C2.79612 H3.72816 Br0.0776699 N1.39806 Ni0.271845 O0.0582524 -","- C288 H384 Br8 N144 Ni28 O6 -","103","12.875","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.072","0.0661","","","0.1864","0.1997","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121070","29.3144","0.0002","29.3144","0.0002","38.4099","0.0004","90","","90","","90","","33006.9","0.5","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C264 H228 N76 Ni14 O12 -","- C264 H228 N76 Ni14 O12 -","- C1056 H912 N304 Ni56 O48 -","4","0.25","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.1172","0.1022","","","0.2982","0.312","","","","","","1.071","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121071","16.9957","0.0001","16.9957","0.0001","32.7949","0.0005","90","","90","","90","","9472.93","0.16","100","2","100","2","","","","","","","","4","P 4 n c","P 4 -2n","104","","","","- C144 H192 N72 Ni14 -","- C144 H192 N72 Ni14 -","- C288 H384 N144 Ni28 -","2","0.25","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.0575","0.0424","","","0.1061","0.1172","","","","","","1.06","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121072","26.9825","0.0002","26.9825","0.0002","24.957","0.0003","90","","90","","90","","18170.1","0.3","100","2","100","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C312 H336 N72 Ni14 O24 -","- C312 H336 N72 Ni14 O24 -","- C624 H672 N144 Ni28 O48 -","2","0.25","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","1.54178","CuKα","","0.099","0.0756","","","0.1899","0.2058","","","","","","1.006","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121073","11.9135","0.0006","10.1334","0.0007","13.9442","0.0006","90","","99.587","0.004","90","","1659.89","0.16","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C1.81 H1.94 Ag0.13 F0.77 N0.39 O0.13 P0.13 -","- C1.80645 H1.93548 Ag0.129032 F0.774194 N0.387097 O0.129032 P0.129032 -","- C56 H60 Ag4 F24 N12 O4 P4 -","31","7.75","","Xiao-Ping Zhou; Yuan Wu; Dan Li","Polyhedral Metal-Imidazolate Cages: Control of Self-Assembly and Cage to Cage Transformation","Journal of the American Chemical Society","2013","135","","16062","16065","10.1021/ja4092984","","","0.71073","MoKα","","0.1064","0.0567","","","0.1125","0.1343","","","","","","1.032","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121074","10.9699","0.0013","11.6213","0.0014","19.956","0.002","101.521","0.0013","95.0592","0.0013","110.959","0.0012","2292.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H72 B Na O6 Si3 -","- C41 H72 B Na O6 Si3 -","- C82 H144 B2 Na2 O12 Si6 -","2","1","","Hui Li; Adelia J. A. Aquino; David B. Cordes; Fernando Hung-Low; William L. Hase; Clemens Krempner","A Zwitterionic Carbanion Frustrated by Boranes - Dihydrogen Cleavage with Weak Lewis Acids via an ""Inverse"" Frustrated Lewis Pair Approach","Journal of the American Chemical Society","2013","135","","16066","16069","10.1021/ja409330h","","","0.71073","MoKα","","0.0587","0.0461","","","0.114","0.1221","","","","","","1.024","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121075","15.31","0.004","15.31","0.004","9.155","0.002","90","","90","","120","","1858.4","0.8","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C16 H39 Na O6 Si3 -","- C16 H39 Na O6 Si3 -","- C48 H117 Na3 O18 Si9 -","3","0.333333","","Hui Li; Adelia J. A. Aquino; David B. Cordes; Fernando Hung-Low; William L. Hase; Clemens Krempner","A Zwitterionic Carbanion Frustrated by Boranes - Dihydrogen Cleavage with Weak Lewis Acids via an ""Inverse"" Frustrated Lewis Pair Approach","Journal of the American Chemical Society","2013","135","","16066","16069","10.1021/ja409330h","","","0.71073","MoKα","","0.0707","0.0643","","","0.1755","0.1805","","","","","","1.105","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121076","12.568","0.003","12.568","0.003","15.851","0.003","90","","90","","120","","2168.3","0.8","100","2","100","2","","","","","","","","6","P 63","P 6c","173","","","","- C38 H64 B Na O7 Si3 -","- C34 H55.202 B Na O6 Si3 -","- C68 H110.404 B2 Na2 O12 Si6 -","2","0.333333","","Hui Li; Adelia J. A. Aquino; David B. Cordes; Fernando Hung-Low; William L. Hase; Clemens Krempner","A Zwitterionic Carbanion Frustrated by Boranes - Dihydrogen Cleavage with Weak Lewis Acids via an ""Inverse"" Frustrated Lewis Pair Approach","Journal of the American Chemical Society","2013","135","","16066","16069","10.1021/ja409330h","","","0.71073","MoKα","","0.1033","0.0811","","","0.2262","0.2442","","","","","","1.089","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121077","31.2188","0.0014","17.1001","0.0007","23.3745","0.001","90","","90.371","0.001","90","","12478.1","0.9","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C130 H138 Au8 N2 O12 P8 -","- C130 H138 Au8 N2 O12 P8 -","- C520 H552 Au32 N8 O48 P32 -","4","0.5","","Naoki Kobayashi; Yutaro Kamei; Yukatsu Shichibu; Katsuaki Konishi","Protonation-Induced Chromism of Pyridylethynyl-Appended [core+exo]-Type Au8Clusters. Resonance-Coupled Electronic Perturbation through π-Conjugated Group","Journal of the American Chemical Society","2013","135","","16078","16081","10.1021/ja4099092","","","0.71073","MoKα","","0.0459","0.0319","","","0.0881","0.1042","","","","","","1.141","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121078","12.07727","0.00016","12.76516","0.00019","18.5857","0.0002","107.846","0.0012","94.4674","0.001","91.1323","0.0011","2716.29","0.06","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H50 B Cl3 Cu F20 N10 -","- C46 H50 B Cl3 Cu F20 N10 -","- C92 H100 B2 Cl6 Cu2 F40 N20 -","2","1","","Ryan L. Peterson; Jake W. Ginsbach; Ryan E. Cowley; Munzarin F. Qayyum; Richard A. Himes; Maxime A. Siegler; Cathy D. Moore; Britt Hedman; Keith O. Hodgson; Shunichi Fukuzumi; Edward I. Solomon; Kenneth D. Karlin","Stepwise Protonation and Electron-Transfer Reduction of a Primary Copper-Dioxygen Adduct","Journal of the American Chemical Society","2013","135","","16454","16467","10.1021/ja4065377","","","0.71073","MoKα","","0.0392","0.0313","","","0.0772","0.0804","","","","","","1.048","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121079","13.0739","0.0008","11.0098","0.0007","15.4761","0.0009","90","","95.3709","0.0018","90","","2217.9","0.2","173","","173","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C30 H36 -","- C30 H36 -","- C120 H144 -","4","1","","Koji Yamamoto; Naohiro Oyamada; Sheng Xia; Yuta Kobayashi; Masahiko Yamaguchi; Hiroaki Maeda; Hiroshi Nishihara; Tadafumi Uchimaru; Eunsang Kwon","Equatorenes: Synthesis and Properties of Chiral Naphthalene, Phenanthrene, Chrysene, and Pyrene Possessing Bis(1-adamantyl) Groups at the Peri-position","Journal of the American Chemical Society","2013","135","","16526","16532","10.1021/ja407800e","","","0.71075","","","0.1222","0.0716","","","0.1776","0.2659","","","","","","1.104","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121080","6.8945","0.0004","29.5705","0.0016","12.0622","0.0008","90","","101.585","0.0018","90","","2409.1","0.2","173","","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 -","- C34 H38 -","- C136 H152 -","4","1","","Koji Yamamoto; Naohiro Oyamada; Sheng Xia; Yuta Kobayashi; Masahiko Yamaguchi; Hiroaki Maeda; Hiroshi Nishihara; Tadafumi Uchimaru; Eunsang Kwon","Equatorenes: Synthesis and Properties of Chiral Naphthalene, Phenanthrene, Chrysene, and Pyrene Possessing Bis(1-adamantyl) Groups at the Peri-position","Journal of the American Chemical Society","2013","135","","16526","16532","10.1021/ja407800e","","","0.71075","","","0.1692","0.0822","","","0.1924","0.2693","","","","","","1.028","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121081","10.442","0.009","30.25","0.03","10.719","0.009","90","","113.304","0.01","90","","3110","5","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 O0.5 -","- C42 H48 O0.5 -","- C168 H192 O2 -","4","1","","Koji Yamamoto; Naohiro Oyamada; Sheng Xia; Yuta Kobayashi; Masahiko Yamaguchi; Hiroaki Maeda; Hiroshi Nishihara; Tadafumi Uchimaru; Eunsang Kwon","Equatorenes: Synthesis and Properties of Chiral Naphthalene, Phenanthrene, Chrysene, and Pyrene Possessing Bis(1-adamantyl) Groups at the Peri-position","Journal of the American Chemical Society","2013","135","","16526","16532","10.1021/ja407800e","","","0.71075","MoKα","","","0.0646","","","","0.1786","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121082","12.5764","0.0013","15.3973","0.0016","22.439","0.002","73.12","0.005","78.356","0.006","67.336","0.005","3816.9","0.7","150","","150","","","","","","","","","2","P -1","-P 1","2","","","","- C36 H38 -","- C36 H38 -","- C216 H228 -","6","3","","Koji Yamamoto; Naohiro Oyamada; Sheng Xia; Yuta Kobayashi; Masahiko Yamaguchi; Hiroaki Maeda; Hiroshi Nishihara; Tadafumi Uchimaru; Eunsang Kwon","Equatorenes: Synthesis and Properties of Chiral Naphthalene, Phenanthrene, Chrysene, and Pyrene Possessing Bis(1-adamantyl) Groups at the Peri-position","Journal of the American Chemical Society","2013","135","","16526","16532","10.1021/ja407800e","","","0.71075","","","0.1242","0.0984","","","0.1981","0.2082","","","","","","1.209","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121083","10.4189","0.001","35.829","0.003","13.6768","0.0014","90","","90.679","0.003","90","","5105.2","0.8","173","","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C35 H40 O2 -","- C35 H39.5 O2 -","- C280 H316 O16 -","8","2","","Koji Yamamoto; Naohiro Oyamada; Sheng Xia; Yuta Kobayashi; Masahiko Yamaguchi; Hiroaki Maeda; Hiroshi Nishihara; Tadafumi Uchimaru; Eunsang Kwon","Equatorenes: Synthesis and Properties of Chiral Naphthalene, Phenanthrene, Chrysene, and Pyrene Possessing Bis(1-adamantyl) Groups at the Peri-position","Journal of the American Chemical Society","2013","135","","16526","16532","10.1021/ja407800e","","","0.71075","","","0.1782","0.0898","","","0.2159","0.2711","","","","","","1.046","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121084","24.1694","0.0015","11.6266","0.0009","15.5172","0.0009","90","","102.859","0.004","90","","4251.1","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 F6 Fe N3 O4 P -","- C45 H47 F6 Fe N3 O4 P -","- C180 H188 F24 Fe4 N12 O16 P4 -","4","1","","Ashley B. Biernesser; Bo Li; Jeffery A. Byers","Redox-Controlled Polymerization of Lactide Catalyzed by Bis(imino)pyridine Iron Bis(alkoxide) Complexes","Journal of the American Chemical Society","2013","135","","16553","16560","10.1021/ja407920d","","","1.54178","CuKα","","0.097","0.0571","","","0.125","0.1449","","","","","","0.993","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121085","32.01","0.03","5.88","0.005","17.369","0.014","90","","102.83","0.03","90","","3188","5","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N2 O -","- C20 H20 N2 O -","- C160 H160 N16 O8 -","8","1","","Hanmo Zhang; E. Ben Hay; Steven J. Geib; Dennis P. Curran","Radical Cyclizations of Cyclic Ene Sulfonamides Occur with β-Elimination of Sulfonyl Radicals to Form Polycyclic Imines","Journal of the American Chemical Society","2013","135","","16610","16617","10.1021/ja408387d","","","0.71073","MoKα","","0.0965","0.0621","","","0.1471","0.1696","","","","","","0.997","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121086","5.4258","0.0001","8.1817","0.0001","43.389","0.003","90","","90","","90","","1926.14","0.14","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 O2 -","- C25 H26 O2 -","- C100 H104 O8 -","4","1","","Hien-Quang Do; E. R. R. Chandrashekar; Gregory C. Fu","Nickel/Bis(oxazoline)-Catalyzed Asymmetric Negishi Arylations of Racemic Secondary Benzylic Electrophiles to Generate Enantioenriched 1,1-Diarylalkanes","Journal of the American Chemical Society","2013","135","","16288","16291","10.1021/ja408561b","","","1.54178","CuKα","","0.036","0.0352","","","0.0945","0.0949","","","","","","1.144","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121087","13.043","0.003","19.407","0.008","19.475","0.005","115.596","0.004","95.958","0.003","101.551","0.004","4254","2","188","2","188","2","","","","","","","","4","P -1","-P 1","2","cesium silicon tridecaniobate dimer","","","- Cs18 Nb26 O120 Si2 -","- Cs18 Nb26 O120 Si2 -","- Cs18 Nb26 O120 Si2 -","1","0.5","","Yu Hou; Lev N. Zakharov; May Nyman","Observing Assembly of Complex Inorganic Materials from Polyoxometalate Building Blocks","Journal of the American Chemical Society","2013","135","","16651","16657","10.1021/ja4086484","","","0.71073","MoKα","","0.2561","0.1761","","","0.4531","0.4955","","","","","","1.513","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121088","28.015","0.0006","28.015","0.0006","28.015","0.0006","90","","90","","90","","21987.3","0.8","180","2","180","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","cesium germanium tridecaniobate","","","- Cs85 Ge8 Nb104 O544 -","- Cs85.024 Ge8 Nb104.16 O544.16 -","- Cs85.024 Ge8 Nb104.16 O544.16 -","1","0.00520833","","Yu Hou; Lev N. Zakharov; May Nyman","Observing Assembly of Complex Inorganic Materials from Polyoxometalate Building Blocks","Journal of the American Chemical Society","2013","135","","16651","16657","10.1021/ja4086484","","","0.71073","MoKα","","0.0857","0.0708","","","0.214","0.2387","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121089","13.849","0.0016","13.849","0.0016","19.84","0.002","90","","90","","120","","3295.4","0.6","180","2","180","2","","","","","","","","4","P -3","-P 3","147","rubidium germanium tridecaniobate","","","- Ge Nb13 O60 Rb13 -","- Ge Nb12.99 O60.49 Rb13 -","- Ge2 Nb25.98 O120.98 Rb26 -","2","0.333333","","Yu Hou; Lev N. Zakharov; May Nyman","Observing Assembly of Complex Inorganic Materials from Polyoxometalate Building Blocks","Journal of the American Chemical Society","2013","135","","16651","16657","10.1021/ja4086484","","","0.71073","MoKα","","0.0599","0.0489","","","0.129","0.1383","","","","","","1.065","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121090","8.0576","0.0018","9.927","0.002","21.084","0.005","90","","93.986","0.003","90","","1682.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17.2 N O3.1 Ru -","- C19 H17 N O3.1 Ru -","- C76 H68 N4 O12.4 Ru4 -","4","1","","Boyoung Y. Park; T. Patrick Montgomery; Victoria J. Garza; Michael J. Krische","Ruthenium Catalyzed Hydrohydroxyalkylation of Isoprene with Heteroaromatic Secondary Alcohols: Isolation and Reversible Formation of the Putative Metallacycle Intermediate","Journal of the American Chemical Society","2013","135","","16320","16323","10.1021/ja4087193","","","0.71073","MoKα","","0.0279","0.0246","","","0.0583","0.0604","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121091","4.77472","0.00007","13.9792","0.0004","8.0718","0.0004","90","","90","","90","","538.77","0.03","298","","298","2","","","","","","","","3","P m m a","-P 2a 2a","51","Lithium calcium diazenide","Lithium pernitride","","- Ca3 Li2 N6 -","- Ca3 Li2 N6 -","- Ca12 Li8 N24 -","4","0.5","","Sebastian B. Schneider; Markus Seibald; Volker L. Deringer; Ralf P. Stoffel; Rainer Frankovsky; Gina M. Friederichs; Henryk Laqua; Viola Duppel; Gunnar Jeschke; Richard Dronskowski; Wolfgang Schnick","High-Pressure Synthesis and Characterization of Li2Ca3[N2]3 - An Uncommon Metallic Diazenide with [N2]2- Ions","Journal of the American Chemical Society","2013","135","","16668","16679","10.1021/ja408816t","powder diffraction","x-ray","1.5406","CuKα1","","0.03787","","","","","","","","1.644","","","","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121092","15.0973","0.0009","12.2302","0.0007","18.9196","0.001","90","","90.396","0.002","90","","3493.3","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H15 F3 I N O2 S -","- C16 H15 F3 I N O2 S -","- C128 H120 F24 I8 N8 O16 S8 -","8","4","","Ling Chu; Xiao-Chen Wang; Curtis E. Moore; Arnold L. Rheingold; Jin-Quan Yu","Pd-Catalyzed Enantioselective C-H Iodination: Asymmetric Synthesis of Chiral Diarylmethylamines","Journal of the American Chemical Society","2013","135","","16344","16347","10.1021/ja408864c","","x-ray","0.71073","MoKα","K-L~3~","0.1026","0.0764","","","0.2088","0.2247","","","","","","1.087","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121093","15.668","0.005","15.88","0.005","17.032","0.005","99.207","0.005","110.424","0.005","116.852","0.005","3277.5","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H52 Dy F9 N4 O6 S9 -","- C58 H52 Dy F9 N4 O6 S9 -","- C116 H104 Dy2 F18 N8 O12 S18 -","2","1","","Tamyris T. da Cunha; Julie Jung; Marie-Emmanuelle Boulon; Giulio Campo; Fabrice Pointillart; Cynthia L. M. Pereira; Boris Le Guennic; Olivier Cador; Kevin Bernot; Francesco Pineider; Stéphane Golhen; Lahcène Ouahab","Magnetic Poles Determinations and Robustness of Memory Effect upon Solubilization in a DyIII-Based Single Ion Magnet","Journal of the American Chemical Society","2013","135","","16332","16335","10.1021/ja4089956","","","0.71073","MoKα","","0.0935","0.0537","","","0.1388","0.1757","","","","","","1.049","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121094","10.3506","0.0012","16.2481","0.0018","12.9422","0.0015","90","","107.794","0.002","90","","2072.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","06276","","","- C24 H31 N3 O4 -","- C24 H31 N3 O4 -","- C96 H124 N12 O16 -","4","1","","Barry M. Trost; Dustin A. Bringley; Ting Zhang; Nicolai Cramer","Rapid Access to Spirocyclic Oxindole Alkaloids: Application of the Asymmetric Palladium-Catalyzed [3 + 2] Trimethylenemethane Cycloaddition","Journal of the American Chemical Society","2013","135","","16720","16735","10.1021/ja409013m","","","0.71073","MoKα","","0.0777","0.0458","","","0.1081","0.1282","","","","","","1.007","","","","has coordinates","179012","2020-10-21","18:00:00",""
"4121095","30.17","","30.17","","7.281","","90","","90","","90","","6627.38","","89","2","89","2","","","","","","","","3","I -4 2 d","I -4 2bw","122","COF-320","","","- C53 H36 N4 -","- C53 H36 N4 -","- C212 H144 N16 -","4","0.25","","Yue-Biao Zhang; Jie Su; Hiroyasu Furukawa; Yifeng Yun; Felipe Gándara; Adam Duong; Xiaodong Zou; Omar M. Yaghi","Single-Crystal Structure of a Covalent Organic Framework","Journal of the American Chemical Society","2013","135","","16336","16339","10.1021/ja409033p","","","0.0251","Electrons","","0.3821","0.31","","","0.6386","0.6677","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121096","28.7128","0.0012","28.7128","0.0012","7.4609","0.0004","90","","90","","90","","6151","0.5","150","2","150","2","","","","","","","","4","I 41/a :2","-I 4ad","88","Molecular Analogue of COF-320","","","- C78 H58 Cl2 N4 -","- C78 H58 Cl2 N4 -","- C312 H232 Cl8 N16 -","4","0.25","","Yue-Biao Zhang; Jie Su; Hiroyasu Furukawa; Yifeng Yun; Felipe Gándara; Adam Duong; Xiaodong Zou; Omar M. Yaghi","Single-Crystal Structure of a Covalent Organic Framework","Journal of the American Chemical Society","2013","135","","16336","16339","10.1021/ja409033p","","","1.54178","CuKα","","0.0736","0.0474","","","0.1193","0.1343","","","","","","1.059","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121097","22.8761","0.0001","22.8761","0.0001","14.2626","0.0001","90","","90","","120","","6463.88","0.06","150","","150","","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C38 H34 F6 N3 O3 P S -","- C38 H34 F6 N3 O3 P S -","- C228 H204 F36 N18 O18 P6 S6 -","6","1","","Marta G. Núñez; Alistair J. M. Farley; Darren J. Dixon","Bifunctional Iminophosphorane Organocatalysts for Enantioselective Synthesis: Application to the Ketimine Nitro-Mannich Reaction","Journal of the American Chemical Society","2013","135","","16348","16351","10.1021/ja409121s","","","0.71073","MoKα","","0.0463","0.042","","0.106","0.102","0.106","","","","","","0.9059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121098","12.8838","0.0001","19.4546","0.0002","15.0458","0.0002","90","","102.582","0.0004","90","","3680.66","0.07","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H38 F6 N3 O3 P S -","- C36 H38 F6 N3 O3 P S -","- C144 H152 F24 N12 O12 P4 S4 -","4","2","","Marta G. Núñez; Alistair J. M. Farley; Darren J. Dixon","Bifunctional Iminophosphorane Organocatalysts for Enantioselective Synthesis: Application to the Ketimine Nitro-Mannich Reaction","Journal of the American Chemical Society","2013","135","","16348","16351","10.1021/ja409121s","","","0.71073","MoKα","","0.0489","0.0391","","0.0891","0.0841","0.0891","","","","","","0.9649","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121099","10.48","0.001","8.5662","0.0008","11.708","0.001","90","","97.232","0.003","90","","1042.71","0.17","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H21 Br N2 O -","- C24 H21 Br N2 O -","- C48 H42 Br2 N4 O2 -","2","1","","Pradip Maity; Ryan P. Pemberton; Dean J. Tantillo; Uttam K. Tambar","Brønsted Acid Catalyzed Enantioselective Indole Aza-Claisen Rearrangement Mediated by an Arene CH-O Interaction","Journal of the American Chemical Society","2013","135","","16380","16383","10.1021/ja4095473","","","0.71073","MoKα","","0.0368","0.0293","","","0.0715","0.0744","","","","","","0.893","","","","has coordinates,has disorder","179012","2020-10-21","18:00:00",""
"4121100","6.1739","0.0009","10.7483","0.0015","33.914","0.005","90","","91.104","0.002","90","","2250.1","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 F2 N2 S3 Si2 -","- C20 H22 F2 N2 S3 Si2 -","- C80 H88 F8 N8 S12 Si8 -","4","1","","Junxiang Zhang; Wayne Chen; Anthony J. Rojas; Evgheni V. Jucov; Tatiana V. Timofeeva; Timothy C. Parker; Stephen Barlow; Seth R. Marder","Controllable Direct Arylation: Fast Route to Symmetrical and Unsymmetrical 4,7-Diaryl-5,6-difluoro-2,1,3-benzothiadiazole Derivatives for Organic Optoelectronic Materials","Journal of the American Chemical Society","2013","135","","16376","16379","10.1021/ja4095878","","","0.71073","MoKα","","0.0566","0.0555","","","0.1598","0.161","","","","","","1.199","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121101","35.83","0.012","25.083","0.006","27.462","0.008","90","","136.7","0.005","90","","16927","9","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H67.5 Ni O2 P2 -","- C42.5 H67.75 Ni O2 P2 -","- C680 H1084 Ni16 O32 P32 -","16","2","","Kei Muto; Junichiro Yamaguchi; Aiwen Lei; Kenichiro Itami","Isolation, Structure, and Reactivity of an Arylnickel(II) Pivalate Complex in Catalytic C-H/C-O Biaryl Coupling","Journal of the American Chemical Society","2013","135","","16384","16387","10.1021/ja409803x","","","0.7107","MoKα","","0.1166","0.0926","","","0.2029","0.2198","","","","","","1.117","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121102","15.4882","0.0008","19.7919","0.0011","24.4546","0.0014","90","","90","","90","","7496.3","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H98 Li6 N8 -","- C66 H98 Li6 N8 -","- C264 H392 Li24 N32 -","4","1","","Yun Ma; Craig E. Stivala; Ashley M. Wright; Trevor Hayton; Jun Liang; Ivan Keresztes; Emil Lobkovsky; David B. Collum; Armen Zakarian","Enediolate-Dilithium Amide Mixed Aggregates in the Enantioselective Alkylation of Arylacetic Acids: Structural Studies and a Stereochemical Model","Journal of the American Chemical Society","2013","135","","16853","16864","10.1021/ja403076u","","","0.71073","MoKα","","0.0624","0.0419","","","0.095","0.0995","","","","","","0.89","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121103","21.1765","0.0015","23.7194","0.0017","24.744","0.002","90","","90","","90","","12428.8","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C90 H128 Li8 N8 O8 -","- C90 H128 Li8 N8 O8 -","- C360 H512 Li32 N32 O32 -","4","1","","Yun Ma; Craig E. Stivala; Ashley M. Wright; Trevor Hayton; Jun Liang; Ivan Keresztes; Emil Lobkovsky; David B. Collum; Armen Zakarian","Enediolate-Dilithium Amide Mixed Aggregates in the Enantioselective Alkylation of Arylacetic Acids: Structural Studies and a Stereochemical Model","Journal of the American Chemical Society","2013","135","","16853","16864","10.1021/ja403076u","","","0.71073","MoKα","","0.1206","0.0689","","","0.1657","0.1836","","","","","","0.893","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121104","10.0004","0.0012","16.893","0.002","17.014","0.002","112.331","0.002","106.694","0.002","97.457","0.002","2452.3","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H76 O15 -","- C51 H76 O15 -","- C102 H152 O30 -","2","1","","Harshita Kumari; Loredana Erra; Alicia C. Webb; Prashant Bhatt; Charles L. Barnes; Carol A. Deakyne; John E. Adams; Leonard J. Barbour; Jerry L. Atwood","Pyrogallol[4]arenes as Frustrated Organic Solids","Journal of the American Chemical Society","2013","135","","16963","16967","10.1021/ja406643b","","","0.71073","MoKα","","0.0801","0.0507","","","0.1281","0.1452","","","","","","1.047","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121105","22.826","0.004","12.779","0.002","18.578","0.003","90","","109.442","0.003","90","","5110.1","1.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C51 H78 O16 -","- C51 H78 O16 -","- C204 H312 O64 -","4","1","","Harshita Kumari; Loredana Erra; Alicia C. Webb; Prashant Bhatt; Charles L. Barnes; Carol A. Deakyne; John E. Adams; Leonard J. Barbour; Jerry L. Atwood","Pyrogallol[4]arenes as Frustrated Organic Solids","Journal of the American Chemical Society","2013","135","","16963","16967","10.1021/ja406643b","","","0.71073","MoKα","","0.1471","0.0793","","","0.1937","0.2258","","","","","","1.028","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121106","12.641","0.007","9.564","0.005","20.25","0.01","90","","107.43","0.02","90","","2336","2","100","2","100","2","","","","","","","synthetic","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Fe2 O10 S2 -","- C19 H16 Fe2 O10 S2 -","- C76 H64 Fe8 O40 S8 -","4","1","","Sonja Pullen; Honghan Fei; Andreas Orthaber; Seth M. Cohen; Sascha Ott","Enhanced Photochemical Hydrogen Production by a Molecular Diiron Catalyst Incorporated into a Metal-Organic Framework","Journal of the American Chemical Society","2013","135","","16997","17003","10.1021/ja407176p","","","0.71073","MoKα","","0.1738","0.1485","","","0.3283","0.3398","","","","","","1.243","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121107","14.6158","0.0002","12.1609","0.0002","16.1492","0.0002","90","","101.062","0.001","90","","2817.05","0.07","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H43 Cl N O2 P2 Re -","- C25 H43 Cl N O2 P2 Re -","- C100 H172 Cl4 N4 O8 P8 Re4 -","4","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0398","0.0316","","","0.083","0.0886","","","","","","1.036","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121108","11.3342","0.0003","15.5145","0.0003","30.5847","0.0008","90","","90","","90","","5378.1","0.2","120","2","120","2","","","","","","","","6","P n a a","-P 2ac 2bc","56","","","","- C25 H42 N O2 P2 Re -","- C25 H42 N O2 P2 Re -","- C200 H336 N8 O16 P16 Re8 -","8","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0793","0.0587","","","0.1404","0.1506","","","","","","1.065","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121109","8.9108","0.0001","18.0558","0.0004","20.938","0.0004","90","","106.449","0.0014","90","","3230.87","0.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H47 N2 O2 P2 Re -","- C32 H47 N2 O2 P2 Re -","- C128 H188 N8 O8 P8 Re4 -","4","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0663","0.0434","","","0.0997","0.1125","","","","","","1.041","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121110","12.4882","0.0002","22.718","0.0004","13.587","0.0002","90","","104.861","0.001","90","","3725.79","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H60 N3 O2 P2 Re -","- C35 H60 N3 O2 P2 Re -","- C140 H240 N12 O8 P8 Re4 -","4","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0749","0.0479","","","0.1185","0.1385","","","","","","1.125","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121111","13.118","0.003","14.918","0.003","16.915","0.003","90","","99.27","0.03","90","","3266.9","1.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H106 N4 O4 P4 Re2 -","- C61 H106 N4 O4 P4 Re2 -","- C122 H212 N8 O8 P8 Re4 -","2","0.5","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0623","0.0389","","","0.1002","0.1094","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121112","12.124","0.002","13.337","0.003","13.581","0.003","113.99","0.03","91.15","0.03","106.97","0.02","1894.6","0.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H55 N2 O2 P2 Re -","- C39 H55 N2 O2 P2 Re -","- C78 H110 N4 O4 P4 Re2 -","2","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.035","0.0281","","","0.0601","0.0626","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121113","12.758","0.0001","9.281","0.0001","35.675","0.0004","90","","94.693","0.0004","90","","4210.01","0.07","120","2","120","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 Cl2 F6 N2 O5 P2 Re S -","- C36 H51 Cl2 F6 N2 O5 P2 Re S -","- C144 H204 Cl8 F24 N8 O20 P8 Re4 S4 -","4","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0574","0.0477","","","0.1125","0.1215","","","","","","1.097","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121114","9.637","0.0019","12.321","0.003","19.322","0.004","88.76","0.03","80.82","0.02","85.69","0.03","2258.3","0.9","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H61 F3 N2 O5 P2 Re S -","- C44 H61 F3 N2 O5 P2 Re S -","- C88 H122 F6 N4 O10 P4 Re2 S2 -","2","1","","Matthias Vogt; Alexander Nerush; Mark A. Iron; Gregory Leitus; Yael Diskin-Posner; Linda J. W. Shimon; Yehoshoa Ben-David; David Milstein","Activation of Nitriles by Metal Ligand Cooperation. Reversible Formation of Ketimido- and Enamido-Rhenium PNP Pincer Complexes and Relevance to Catalytic Design","Journal of the American Chemical Society","2013","135","","17004","17018","10.1021/ja4071859","","","0.71073","MoKα","","0.0287","0.0234","","","0.0472","0.0486","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121115","10.0388","0.0013","10.1015","0.0014","19.139","0.003","90","","90.277","0.003","90","","1940.8","0.5","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 F2 O P -","- C26 H17 F2 O P -","- C104 H68 F8 O4 P4 -","4","1","","Yun-Rong Chen; Wei-Liang Duan","Silver-Mediated Oxidative C-H/P-H Functionalization: An Efficient Route for the Synthesis of Benzo[b]phosphole Oxides","Journal of the American Chemical Society","2013","135","","16754","16757","10.1021/ja407373g","","","0.71073","MoKα","","0.0816","0.049","","","0.1259","0.1443","","","","","","1.019","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121116","9.7864","0.0014","10.3674","0.0015","18.976","0.003","90","","91.538","0.003","90","","1924.6","0.5","173","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 F2 O P -","- C26 H17 F2 O P -","- C104 H68 F8 O4 P4 -","4","1","","Yun-Rong Chen; Wei-Liang Duan","Silver-Mediated Oxidative C-H/P-H Functionalization: An Efficient Route for the Synthesis of Benzo[b]phosphole Oxides","Journal of the American Chemical Society","2013","135","","16754","16757","10.1021/ja407373g","","","0.71073","MoKα","","0.0398","0.0341","","","0.0863","0.0905","","","","","","1.056","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121117","12.6037","0.0011","10.2402","0.0009","15.9169","0.0014","90","","106.107","0.002","90","","1973.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O3.5 P -","- C23 H20 O3.5 P -","- C92 H80 O14 P4 -","4","1","","Yun-Rong Chen; Wei-Liang Duan","Silver-Mediated Oxidative C-H/P-H Functionalization: An Efficient Route for the Synthesis of Benzo[b]phosphole Oxides","Journal of the American Chemical Society","2013","135","","16754","16757","10.1021/ja407373g","","","0.71073","MoKα","","0.072","0.0498","","","0.1279","0.1407","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121118","38.512","0.002","38.512","0.002","38.512","0.002","90","","90","","90","","57120","5","110","2","110","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","PCN224Ni","","","- C144 H72 N12 Ni3 O64 Zr12 -","- C144 H72 N12 Ni3 O64 Zr12 -","- C576 H288 N48 Ni12 O256 Zr48 -","4","0.0416667","","Dawei Feng; Wan-Chun Chung; Zhangwen Wei; Zhi-Yuan Gu; Hai-Long Jiang; Ying-Pin Chen; Donald J. Darensbourg; Hong-Cai Zhou","Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through Linker Elimination","Journal of the American Chemical Society","2013","135","","17105","17110","10.1021/ja408084j","","","0.71073","MoKα","","0.0887","0.0631","","","0.1862","0.2007","","","","","","1.14","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121119","38.465","0.018","38.465","0.018","38.465","0.018","90","","90","","90","","56911","5","113","2","110","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN224No","","","- C144 H72 N12 O64 Zr15 -","- C144 H72 N12 O64 Zr15 -","- C576 H288 N48 O256 Zr60 -","4","0.0416667","","Dawei Feng; Wan-Chun Chung; Zhangwen Wei; Zhi-Yuan Gu; Hai-Long Jiang; Ying-Pin Chen; Donald J. Darensbourg; Hong-Cai Zhou","Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through Linker Elimination","Journal of the American Chemical Society","2013","135","","17105","17110","10.1021/ja408084j","","","0.71073","MoKα","","0.2231","0.1729","","","0.4091","0.44","","","","","","1.542","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121120","18.649","0.005","18.739","0.004","21.045","0.006","80.858","0.009","69.538","0.014","86.514","0.008","6803","3","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C68.75 H78.5 B Cl1.5 N8 O4 Zn -","- C68.75 H78.5 B Cl1.5 N8 O4 Zn -","- C275 H314 B4 Cl6 N32 O16 Zn4 -","4","2","","Martin L. Kirk; David A. Shultz; Daniel E. Stasiw; Geoffrey F. Lewis; Guangbin Wang; Candice L. Brannen; Roger D. Sommer; Paul D. Boyle","Superexchange Contributions to Distance Dependence of Electron Transfer/Transport: Exchange and Electronic Coupling in Oligo(para-Phenylene)- and Oligo(2,5-Thiophene)-Bridged Donor-Bridge-Acceptor Biradical Complexes","Journal of the American Chemical Society","2013","135","","17144","17154","10.1021/ja4081887","","","0.71073","MoKα","","0.1183","0.0814","","","0.2379","0.2579","","","","","","1.064","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121121","20.6545","0.0005","16.4166","0.0004","21.3372","0.0005","90","","108.568","0.001","90","","6858.3","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","SQ-T-NN","","","- C64 H73 B N8 O4 S2 Zn -","- C64 H73 B N8 O4 S2 Zn -","- C256 H292 B4 N32 O16 S8 Zn4 -","4","1","","Martin L. Kirk; David A. Shultz; Daniel E. Stasiw; Geoffrey F. Lewis; Guangbin Wang; Candice L. Brannen; Roger D. Sommer; Paul D. Boyle","Superexchange Contributions to Distance Dependence of Electron Transfer/Transport: Exchange and Electronic Coupling in Oligo(para-Phenylene)- and Oligo(2,5-Thiophene)-Bridged Donor-Bridge-Acceptor Biradical Complexes","Journal of the American Chemical Society","2013","135","","17144","17154","10.1021/ja4081887","","","0.71073","MoKα","","0.073","0.0474","","","0.1288","0.1437","","","","","","1.027","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121122","13.892","0.003","14.795","0.003","17.661","0.003","107.885","0.007","99.167","0.007","114.878","0.006","2953.8","1.1","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C61.08 H75.34 B N8 O5.09 S Zn -","- C61.088 H75.352 B N8 O5.088 S Zn -","- C122.176 H150.704 B2 N16 O10.176 S2 Zn2 -","2","1","","Martin L. Kirk; David A. Shultz; Daniel E. Stasiw; Geoffrey F. Lewis; Guangbin Wang; Candice L. Brannen; Roger D. Sommer; Paul D. Boyle","Superexchange Contributions to Distance Dependence of Electron Transfer/Transport: Exchange and Electronic Coupling in Oligo(para-Phenylene)- and Oligo(2,5-Thiophene)-Bridged Donor-Bridge-Acceptor Biradical Complexes","Journal of the American Chemical Society","2013","135","","17144","17154","10.1021/ja4081887","","","0.71073","MoKα","","0.1491","0.0908","","","0.247","0.2873","","","","","","1.073","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121123","17.685","0.004","15.242","0.003","20.15","0.004","90","","105.85","0.03","90","","5225","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H75 Mo6 N3 O20 -","- C39 H75 Mo6 N3 O20 -","- C156 H300 Mo24 N12 O80 -","4","1","","Yi Zhu; Panchao Yin; Fengping Xiao; Dong Li; Emily Bitterlich; Zicheng Xiao; Jin Zhang; Jian Hao; Tianbo Liu; Yuan Wang; Yongge Wei","Bottom-Up Construction of POM-Based Macrostructures: Coordination Assembled Paddle-Wheel Macroclusters and Their Vesicle-like Supramolecular Aggregation in Solution","Journal of the American Chemical Society","2013","135","","17155","17160","10.1021/ja408228b","","","0.71073","MoKα","","0.0486","0.0369","","","0.1016","0.1082","","","","","","1.075","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121124","27.362","0.003","29.399","0.004","32.838","0.004","100.435","0.001","91.753","0.002","102.066","0.002","25340","5","81","2","81","2","","","","","","","","6","P -1","-P 1","2","","","","- C337 H655.5 Cu4 Mo48 N34.5 O164 -","- C337 H649.5 Cu4 Mo48 N34.5 O164 -","- C674 H1299 Cu8 Mo96 N69 O328 -","2","1","","Yi Zhu; Panchao Yin; Fengping Xiao; Dong Li; Emily Bitterlich; Zicheng Xiao; Jin Zhang; Jian Hao; Tianbo Liu; Yuan Wang; Yongge Wei","Bottom-Up Construction of POM-Based Macrostructures: Coordination Assembled Paddle-Wheel Macroclusters and Their Vesicle-like Supramolecular Aggregation in Solution","Journal of the American Chemical Society","2013","135","","17155","17160","10.1021/ja408228b","","","0.71073","MoKα","","0.1025","0.0621","","","0.1486","0.1739","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121125","9.1424","0.0006","11.0497","0.0005","13.7839","0.0011","90","","90","","90","","1392.46","0.16","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C40 H40 S24 -","4","1","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.0795","0.0508","","","0.088","0.1027","","","","","","1.214","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121126","9.1575","0.0013","11.0492","0.0011","13.757","0.002","90","","90","","90","","1392","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C40 H40 S24 -","4","1","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.1175","0.0765","","","0.1879","0.2135","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121127","13.1473","0.0012","15.675","0.003","15.485","0.002","90","","107.286","0.01","90","","3047.1","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 F6 P S12 -","- C20 H20 F6 P S12 -","- C80 H80 F24 P4 S48 -","4","2","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.1073","0.0549","","","0.1188","0.1451","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121128","13.1431","0.0016","15.707","0.002","15.474","0.003","90","","107.326","0.014","90","","3049.5","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 F6 P S12 -","- C20 H20 F6 P S12 -","- C80 H80 F24 P4 S48 -","4","2","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.0844","0.0491","","","0.1173","0.1385","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121129","6.666","0.0004","8.3842","0.0008","15.2213","0.0019","86.281","0.008","77.464","0.007","67.141","0.006","765.03","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 F6 P S12 -","- C19.996 H19.996 F6 P S12 -","- C19.996 H19.996 F6 P S12 -","1","0.5","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.1037","0.054","","","0.1112","0.1318","","","","","","1.039","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121130","6.5771","0.0005","8.3478","0.001","15.004","0.003","83.296","0.013","77.863","0.011","67.014","0.01","740.88","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 F6 P S12 -","- C20 H20 F6 P S12 -","- C20 H20 F6 P S12 -","1","0.5","","Flavia Pop; Pascale Auban-Senzier; Arkadiusz Frąckowiak; Krzysztof Ptaszyński; Iwona Olejniczak; John D. Wallis; Enric Canadell; Narcis Avarvari","Chirality Driven Metallic versus Semiconducting Behavior in a Complete Series of Radical Cation Salts Based on Dimethyl-Ethylenedithio-Tetrathiafulvalene (DM-EDT-TTF)","Journal of the American Chemical Society","2013","135","","17176","17186","10.1021/ja408350r","","","0.71073","MoKα","","0.0802","0.0505","","","0.1096","0.1236","","","","","","1.046","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121131","9.4237","0.0011","12.0092","0.0014","17.741","0.002","87.298","0.002","79.583","0.002","79.018","0.002","1938.3","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H59 Cr N2 Si2 -","- C37 H59 Cr N2 Si2 -","- C74 H118 Cr2 N4 Si4 -","2","1","","Fang Dai; Glenn P. A. Yap; Klaus H. Theopold","The Direct Oxidative Addition of O2 to a Mononuclear Cr(I) Complex Is Spin Forbidden","Journal of the American Chemical Society","2013","135","","16774","16776","10.1021/ja408357x","","","0.71073","MoKα","","0.0973","0.0645","","","0.1675","0.192","","","","","","1.064","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121132","14.5","0.003","13.934","0.003","26.862","0.006","90","","95.473","0.005","90","","5403","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H82 Cr2 N4 O2 -","- C58 H82 Cr2 N4 O2 -","- C232 H328 Cr8 N16 O8 -","4","1","","Fang Dai; Glenn P. A. Yap; Klaus H. Theopold","The Direct Oxidative Addition of O2 to a Mononuclear Cr(I) Complex Is Spin Forbidden","Journal of the American Chemical Society","2013","135","","16774","16776","10.1021/ja408357x","","","0.71073","MoKα","","0.1106","0.06","","","0.1172","0.1434","","","","","","1.008","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121133","9.4445","0.0004","12.4788","0.0005","13.8247","0.0005","72.002","0.002","76.863","0.002","72.732","0.002","1463.17","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H30 N4 O3 -","- C38 H30 N4 O3 -","- C76 H60 N8 O6 -","2","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.0468","0.0399","","","0.1089","0.1132","","","","","","1.056","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121134","7.1631","0.0002","14.0687","0.0005","22.5552","0.0007","90","","98.017","0.001","90","","2250.8","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H23 N5 O2 Pd -","- C25 H23 N5 O2 Pd -","- C100 H92 N20 O8 Pd4 -","4","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.026","0.026","","","0.0665","0.0665","","","","","","1.116","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121135","20.9568","0.0012","17.9591","0.001","14.4943","0.0008","90","","130.928","0.001","90","","4121.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 N4 O4 Pd -","- C23 H20 N4 O4 Pd -","- C184 H160 N32 O32 Pd8 -","8","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.0329","0.0329","","","0.0962","0.0962","","","","","","1.233","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121136","9.5086","0.0005","13.1544","0.0007","25.8691","0.0014","90","","90","","90","","3235.7","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H27 N5 O2 Pd -","- C39 H27 N5 O2 Pd -","- C156 H108 N20 O8 Pd4 -","4","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.0294","0.0294","","","0.0842","0.0842","","","","","","1.182","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121137","13.5864","0.0004","16.0764","0.0004","12.5172","0.0004","90","","90","","90","","2734.01","0.14","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C31 H26 Cl N3 O2 Pd S -","- C31 H26 Cl N3 O2 Pd S -","- C124 H104 Cl4 N12 O8 Pd4 S4 -","4","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.0542","0.0446","","","0.112","0.1225","","","","","","1.094","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121138","10.6793","0.0002","12.3704","0.0002","15.7401","0.0003","112.462","0.001","101.89","0.001","94.951","0.001","1848.82","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H39 Cl2 N3 O2 Pd S2 -","- C42.25 H36.7626 Cl2 N3 O2 Pd S2 -","- C84.5 H73.5252 Cl4 N6 O4 Pd2 S4 -","2","1","","Qi-Qiang Wang; Rowshan Ara Begum; Victor W. Day; Kristin Bowman-James","Chemical Mustard Containment Using Simple Palladium Pincer Complexes: The Influence of Molecular Walls","Journal of the American Chemical Society","2013","135","","17193","17199","10.1021/ja408770u","","","1.54178","CuKα","","0.0462","0.0454","","","0.1205","0.1212","","","","","","1.057","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121139","8.3028","0.0002","12.4661","0.0004","21.5717","0.0007","96.621","0.0011","96.9056","0.0011","100.064","0.0011","2161.12","0.11","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H17 F6 N3 O4 P Re -","- C17 H17 F6 N3 O4 P Re -","- C68 H68 F24 N12 O16 P4 Re4 -","4","2","","Tatsuki Morimoto; Takuya Nakajima; Shuhei Sawa; Ryoichi Nakanishi; Daisuke Imori; Osamu Ishitani","CO2 Capture by a Rhenium(I) Complex with the Aid of Triethanolamine","Journal of the American Chemical Society","2013","135","","16825","16828","10.1021/ja409271s","","","0.7107","MoKα","","0.0405","0.031","","","0.0638","0.0689","","","","","","0.638","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121140","15.3674","0.0007","10.6326","0.0007","33.697","0.002","90","","97.037","0.002","90","","5464.5","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H32 O P2 Pd -","- C33 H32 O P2 Pd -","- C264 H256 O8 P16 Pd8 -","8","1","","Shin Takemoto; Vladimir V. Grushin","Nucleophile-Catalyzed, Facile, and Highly Selective C-H Activation of Fluoroform with Pd(II)","Journal of the American Chemical Society","2013","135","","16837","16840","10.1021/ja409533s","","","0.71073","MoKα","","0.0429","0.0423","","","0.093","0.0933","","","","","","1.336","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121141","10.7582","0.0006","14.8854","0.0009","13.1012","0.0008","90","","98.413","0.001","90","","2075.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H32 Cl O P Pd -","- C19 H32 Cl O P Pd -","- C76 H128 Cl4 O4 P4 Pd4 -","4","1","","Jeffrey S. Quesnel; Bruce A. Arndtsen","A Palladium-Catalyzed Carbonylation Approach to Acid Chloride Synthesis","Journal of the American Chemical Society","2013","135","","16841","16844","10.1021/ja4098093","","","0.71073","MoKα","","0.0422","0.0285","","","0.0614","0.0657","","","","","","1.031","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121142","8.6045","0.0011","13.6252","0.0016","15.015","0.0018","92.025","0.005","95.163","0.006","98.994","0.006","1729.4","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H64 F6 Fe2 N14 O6 S2 -","- C72 H64 F6 Fe2 N14 O6 S2 -","- C72 H64 F6 Fe2 N14 O6 S2 -","1","0.5","","Ie-Rang Jeon; Jesse G. Park; Dianne J. Xiao; T. David Harris","An Azophenine Radical-Bridged Fe2 Single-Molecule Magnet with Record Magnetic Exchange Coupling","Journal of the American Chemical Society","2013","135","","16845","16848","10.1021/ja409927v","","","1.54178","CuKα","","0.0544","0.0527","","","0.1491","0.1527","","","","","","0.805","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121143","35.9492","0.0008","35.9492","0.0008","14.0374","0.0004","90","","90","","120","","15710.7","0.7","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C79 H76 F3 Fe2 N18 O3 S -","- C71 H64 F3 Fe2 N14 O3 S -","- C639 H576 F27 Fe18 N126 O27 S9 -","9","0.5","","Ie-Rang Jeon; Jesse G. Park; Dianne J. Xiao; T. David Harris","An Azophenine Radical-Bridged Fe2 Single-Molecule Magnet with Record Magnetic Exchange Coupling","Journal of the American Chemical Society","2013","135","","16845","16848","10.1021/ja409927v","","","1.54178","CuKα","","0.0799","0.0694","","","0.1869","0.1955","","","","","","1.08","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121144","11.3017","0.0003","14.8706","0.0004","15.7363","0.0004","71.049","0.001","86.794","0.001","81.222","0.001","2471.98","0.11","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 Cl4 O5 P2 Ru -","- C52 H60 Cl4 O5 P2 Ru -","- C104 H120 Cl8 O10 P4 Ru2 -","2","1","","Emma L. McInturff; Jeffrey Mowat; Andrew R. Waldeck; Michael J. Krische","Ruthenium-Catalyzed Hydrohydroxyalkylation of Acrylates with Diols and α-Hydroxycarbonyl Compounds To Form Spiro- and α-Methylene-γ-butyrolactones","Journal of the American Chemical Society","2013","135","","17230","17235","10.1021/ja410533y","","","0.71073","MoKα","","0.0529","0.0419","","","0.0977","0.1036","","","","","","1.206","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121145","8.439","0.003","10.083","0.003","10.84","0.004","110.886","0.007","103.153","0.007","104.036","0.008","784.3","0.5","181","2","181","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Emma L. McInturff; Jeffrey Mowat; Andrew R. Waldeck; Michael J. Krische","Ruthenium-Catalyzed Hydrohydroxyalkylation of Acrylates with Diols and α-Hydroxycarbonyl Compounds To Form Spiro- and α-Methylene-γ-butyrolactones","Journal of the American Chemical Society","2013","135","","17230","17235","10.1021/ja410533y","","","0.71075","MoKα","","0.0703","0.0493","","","0.121","0.136","","","","","","1.067","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121146","22.7005","0.0006","15.5829","0.0004","16.2015","0.0004","90","","104.396","0.0014","90","","5551.2","0.2","293","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","Ca10Cd27Cu2","","","- Ca10.399 Cd26.704 Cu1.937 -","- Ca10.3993 Cd26.7043 Cu1.93693 -","- Ca62.396 Cd160.226 Cu11.6216 -","6","0.75","","Amelia B. Hadler; Nicholas A. Harris; Daniel C. Fredrickson","New Roles for Icosahedral Clusters in Intermetallic Phases: Micelle-like Segregation of Ca-Cd and Cu-Cd Interactions in Ca10Cd27Cu2","Journal of the American Chemical Society","2013","135","","17369","17378","10.1021/ja407291t","","","0.71069","MoKα","","0.0507","0.0284","","","0.0562","0.0618","","","","1.37","1.37","1.27","","","","has coordinates,has Fobs","179013","2020-10-21","18:00:00",""
"4121147","3.7772","0.0007","15.242","0.003","20.4","0.004","90","","95.296","0.004","90","","1169.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Mo N2 O3 -","- C12 H12 Mo N2 O3 -","- C48 H48 Mo4 N8 O12 -","4","1","","Xiao Zhang; Mehdi Hejazi; Suraj J. Thiagarajan; William R. Woerner; Debasis Banerjee; Thomas J. Emge; Wenqian Xu; Simon J. Teat; Qihan Gong; Ahmad Safari; Ronggui Yang; John B. Parise; Jing Li","From 1D Chain to 3D Network: A New Family of Inorganic-Organic Hybrid Semiconductors MO3(L)x (M = Mo, W; L = Organic Linker) Built on Perovskite-like Structure Modules","Journal of the American Chemical Society","2013","135","","17401","17407","10.1021/ja4077556","","","0.71073","MoKα","","0.0576","0.0412","","","0.092","0.0986","","","","","","1.027","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121148","7.5228","0.0004","7.389","0.0004","22.608","0.0013","90","","90","","90","","1256.69","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 Mo N O3 -","- C5 H5 Mo N O3 -","- C40 H40 Mo8 N8 O24 -","8","1","","Xiao Zhang; Mehdi Hejazi; Suraj J. Thiagarajan; William R. Woerner; Debasis Banerjee; Thomas J. Emge; Wenqian Xu; Simon J. Teat; Qihan Gong; Ahmad Safari; Ronggui Yang; John B. Parise; Jing Li","From 1D Chain to 3D Network: A New Family of Inorganic-Organic Hybrid Semiconductors MO3(L)x (M = Mo, W; L = Organic Linker) Built on Perovskite-like Structure Modules","Journal of the American Chemical Society","2013","135","","17401","17407","10.1021/ja4077556","","","0.7749","","","0.0506","0.0501","","","0.1256","0.1258","","","","","","1.387","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121149","5.2546","0.0003","5.2546","0.0003","26.987","0.003","90","","90","","90","","745.13","0.1","100","2","100","2","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- C6 H6.28 N O3.14 W -","- C6 H6.304 N O3.152 W -","- C24 H25.216 N4 O12.608 W4 -","4","0.25","","Xiao Zhang; Mehdi Hejazi; Suraj J. Thiagarajan; William R. Woerner; Debasis Banerjee; Thomas J. Emge; Wenqian Xu; Simon J. Teat; Qihan Gong; Ahmad Safari; Ronggui Yang; John B. Parise; Jing Li","From 1D Chain to 3D Network: A New Family of Inorganic-Organic Hybrid Semiconductors MO3(L)x (M = Mo, W; L = Organic Linker) Built on Perovskite-like Structure Modules","Journal of the American Chemical Society","2013","135","","17401","17407","10.1021/ja4077556","","","0.71073","MoKα","","0.0249","0.0217","","","0.0491","0.0503","","","","","","1.007","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121150","11.1528","0.0001","14.9749","0.0003","17.9193","0.0003","98.461","0.001","97.158","0.001","103.779","0.001","2835","0.08","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H19 B F10 O Si Zr -","- C28 H19 B F10 O Si Zr -","- C112 H76 B4 F40 O4 Si4 Zr4 -","4","2","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0745","0.0591","","","0.1193","0.1321","","","","","","1.068","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121151","11.6698","0.0002","15.5587","0.0002","18.0772","0.0002","90","","92.406","0.001","90","","3279.33","0.08","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 B F10 N Si Zr -","- C32 H28 B F10 N Si Zr -","- C128 H112 B4 F40 N4 Si4 Zr4 -","4","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0618","0.0447","","","0.0858","0.0958","","","","","","1.058","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121152","11.6849","0.0002","15.5589","0.0002","18.1675","0.0003","90","","92.132","0.001","90","","3300.64","0.09","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 B F10 N Si Zr -","- C32 H28 B F10 N Si Zr -","- C128 H112 B4 F40 N4 Si4 Zr4 -","4","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0753","0.0524","","","0.1003","0.1143","","","","","","1.105","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121153","34.4119","0.0004","9.511","0.0001","18.9714","0.0003","90","","91.286","0.001","90","","6207.62","0.14","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 B F10 O Si Zr -","- C31 H27 B F10 O Si Zr -","- C248 H216 B8 F80 O8 Si8 Zr8 -","8","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0447","0.0361","","","0.0845","0.0909","","","","","","1.044","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121154","10.2083","0.0001","10.8557","0.0002","16.127","0.0003","94.417","0.001","93.355","0.001","116.351","0.001","1588.09","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 B F10 Si Zr -","- C33 H29 B F10 Si Zr -","- C66 H58 B2 F20 Si2 Zr2 -","2","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0482","0.0466","","","0.1024","0.1038","","","","","","1.103","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121155","10.5805","0.0001","31.8728","0.0004","21.7498","0.0003","90","","102.941","0.001","90","","7148.4","0.15","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37.5 H31 B F10 Si Zr -","- C37.5 H31 B F10 Si Zr -","- C300 H248 B8 F80 Si8 Zr8 -","8","2","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0664","0.046","","","0.0904","0.1","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121156","11.1086","0.0003","16.2478","0.0004","21.5154","0.0006","98.084","0.001","104.561","0.001","94.6","0.002","3694.09","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29 B F10 Si2 Zr -","- C32 H29 B F10 Si2 Zr -","- C128 H116 B4 F40 Si8 Zr4 -","4","2","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0871","0.066","","","0.1609","0.1736","","","","","","1.05","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121157","10.4621","0.0002","14.9667","0.0003","19.5364","0.0004","90","","96.105","0.001","90","","3041.72","0.1","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 B F10 Si Zr -","- C32 H25 B F10 Si Zr -","- C128 H100 B4 F40 Si4 Zr4 -","4","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0671","0.0551","","","0.1303","0.1399","","","","","","1.142","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121158","14.3941","0.0003","10.2369","0.0003","23.7522","0.0005","90","","91.691","0.002","90","","3498.39","0.15","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 B F10 Si2 Zr -","- C35 H33 B F10 Si2 Zr -","- C140 H132 B4 F40 Si8 Zr4 -","4","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0675","0.0514","","","0.1151","0.1264","","","","","","1.09","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121159","11.4217","0.0001","12.4543","0.0001","18.0412","0.0003","91.971","0.001","102.497","0.001","108.45","0.001","2362.05","0.05","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 B F10 Si3 Zr -","- C46 H46 B F10 Si3 Zr -","- C92 H92 B2 F20 Si6 Zr2 -","2","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.0424","0.0391","","","0.092","0.0961","","","","","","1.033","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121160","12.3208","0.0002","18.086","0.0003","19.0287","0.0005","90","","97.545","0.001","90","","4203.53","0.15","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H42 B F10 P Si Zr -","- C47 H42 B F10 P Si Zr -","- C188 H168 B4 F40 P4 Si4 Zr4 -","4","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.1005","0.0694","","","0.1438","0.1628","","","","","","1.088","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121161","35.8746","0.0003","10.5981","0.0001","23.2071","0.0003","90","","125.385","0.001","90","","7193.54","0.16","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H29 B F10 Si Zr -","- C41 H29 B F10 Si Zr -","- C328 H232 B8 F80 Si8 Zr8 -","8","1","","Santhosh Kumar Podiyanachari; Gerald Kehr; Christian Mück-Lichtenfeld; Constantin G. Daniliuc; Gerhard Erker","Remarkable Behavior of a Bifunctional Alkynylborane Zirconocene Complex toward Donor Ligands and Acetylenes","Journal of the American Chemical Society","2013","135","","17444","17456","10.1021/ja408385h","","","0.71073","MoKα","","0.072","0.0487","","","0.0879","0.0981","","","","","","1.086","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121162","20.923","0.002","14.1629","0.0014","22.317","0.002","90","","90","","90","","6613.2","1.1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(BDI)ZnFp","","","- C36 H46 Fe N2 O2 Zn -","- C36 H46 Fe N2 O2 Zn -","- C288 H368 Fe8 N16 O16 Zn8 -","8","1","","Thomas J. Mazzacano; Neal P. Mankad","Base Metal Catalysts for Photochemical C-H Borylation That Utilize Metal-Metal Cooperativity","Journal of the American Chemical Society","2013","135","","17258","17261","10.1021/ja408861p","","","0.71073","MoKα","","0.0378","0.0286","","","0.0714","0.0766","","","","","","1.044","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121163","21.758","0.013","15.19","0.009","26.251","0.016","90","","112.054","0.009","90","","8041","8","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C90 H75 Cu3 P6 -","- C90 H75 Cu3 P6 -","- C360 H300 Cu12 P24 -","4","1","","Michael S. Eberhart; Jack R. Norton; Ashley Zuzek; Wesley Sattler; Serge Ruccolo","Electron Transfer from Hexameric Copper Hydrides","Journal of the American Chemical Society","2013","135","","17262","17265","10.1021/ja408925m","","","0.71073","MoKα","","0.0867","0.0509","","","0.1124","0.123","","","","","","1.008","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121164","21.5852","0.0012","20.8629","0.0012","26.8356","0.0015","90","","99.484","0.001","90","","11919.7","1.2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C126 H132 Cu6 O18 P6 -","- C126 H132 Cu6 O18 P6 -","- C504 H528 Cu24 O72 P24 -","4","1","","Michael S. Eberhart; Jack R. Norton; Ashley Zuzek; Wesley Sattler; Serge Ruccolo","Electron Transfer from Hexameric Copper Hydrides","Journal of the American Chemical Society","2013","135","","17262","17265","10.1021/ja408925m","","","0.71073","MoKα","","0.2123","0.067","","","0.1169","0.1577","","","","","","1.007","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121165","13.0054","0.001","13.881","0.0011","14.6853","0.0012","68.935","0.001","74.621","0.001","72.068","0.001","2317.8","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H124 Cu6 O2 P6 -","- C98 H124 Cu6 O2 P6 -","- C98 H124 Cu6 O2 P6 -","1","0.5","","Michael S. Eberhart; Jack R. Norton; Ashley Zuzek; Wesley Sattler; Serge Ruccolo","Electron Transfer from Hexameric Copper Hydrides","Journal of the American Chemical Society","2013","135","","17262","17265","10.1021/ja408925m","","","0.71073","MoKα","","0.0539","0.0368","","","0.0901","0.0978","","","","","","1.131","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121166","19.318","0.002","25.327","0.003","20.917","0.002","90","","91.781","0.002","90","","10229.1","1.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C120 H108 Cu6 P6 -","- C120 H108 Cu6 P6 -","- C480 H432 Cu24 P24 -","4","1","","Michael S. Eberhart; Jack R. Norton; Ashley Zuzek; Wesley Sattler; Serge Ruccolo","Electron Transfer from Hexameric Copper Hydrides","Journal of the American Chemical Society","2013","135","","17262","17265","10.1021/ja408925m","","","0.71073","MoKα","","0.202","0.081","","","0.1383","0.1802","","","","","","1.013","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121167","13.498","0.005","26.851","0.01","14.881","0.005","90","","101.799","0.007","90","","5279","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H37 O4 P2 Rh -","- C45 H37 O4 P2 Rh -","- C180 H148 O16 P8 Rh4 -","4","0.5","","Jing Zhang; Jun-Feng Liu; Angel Ugrinov; Anthony F. X. Pillai; Zhong-Ming Sun; Pinjing Zhao","Methoxy-Directed Aryl-to-Aryl 1,3-Rhodium Migration","Journal of the American Chemical Society","2013","135","","17270","17273","10.1021/ja409049t","","","0.71073","MoKα","","0.0889","0.0528","","","0.1269","0.1355","","","","","","1.001","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121168","13.0849","0.0009","13.2803","0.0009","14.9486","0.0011","78.037","0.001","70.508","0.001","87.384","0.001","2394.8","0.3","566","2","566","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 N O4 P2 Rh -","- C50 H42 N O4 P2 Rh -","- C100 H84 N2 O8 P4 Rh2 -","2","1","","Jing Zhang; Jun-Feng Liu; Angel Ugrinov; Anthony F. X. Pillai; Zhong-Ming Sun; Pinjing Zhao","Methoxy-Directed Aryl-to-Aryl 1,3-Rhodium Migration","Journal of the American Chemical Society","2013","135","","17270","17273","10.1021/ja409049t","","","0.71073","MoKα","","0.066","0.0475","","","0.1387","0.149","","","","","","0.998","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121169","21.6627","0.0017","17.532","0.0014","25.769","0.002","90","","98.035","0.002","90","","9690.7","1.3","536","2","536","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H42 N O4 P2 Rh -","- C50 H42 N O4 P2 Rh -","- C400 H336 N8 O32 P16 Rh8 -","8","2","","Jing Zhang; Jun-Feng Liu; Angel Ugrinov; Anthony F. X. Pillai; Zhong-Ming Sun; Pinjing Zhao","Methoxy-Directed Aryl-to-Aryl 1,3-Rhodium Migration","Journal of the American Chemical Society","2013","135","","17270","17273","10.1021/ja409049t","","","0.71073","MoKα","","0.0519","0.0399","","","0.1223","0.1283","","","","","","1.077","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121170","10.1513","0.0002","42.0696","0.0008","17.7599","0.0003","90","","94.519","0.001","90","","7561","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H50 P2 Ti -","- C46 H50 P2 Ti -","- C368 H400 P16 Ti8 -","8","2","","Martin Haehnel; Sven Hansen; Kathleen Schubert; Perdita Arndt; Anke Spannenberg; Haijun Jiao; Uwe Rosenthal","Synthesis, Characterization and Reactivity of Group 4 Metallocene Bis(diphenylphosphino)acetylene Complexes-A Reactivity and Bonding Study","Journal of the American Chemical Society","2013","135","","17556","17565","10.1021/ja409320k","","","0.71073","MoKα","","0.0557","0.0416","","","0.0933","0.1017","","","","","","1.052","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121171","11.4225","0.0002","12.4016","0.0002","15.9682","0.0003","68.832","0.001","73.958","0.001","72.245","0.001","1973.41","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H44 P2 Ti -","- C46 H44 P2 Ti -","- C92 H88 P4 Ti2 -","2","1","","Martin Haehnel; Sven Hansen; Kathleen Schubert; Perdita Arndt; Anke Spannenberg; Haijun Jiao; Uwe Rosenthal","Synthesis, Characterization and Reactivity of Group 4 Metallocene Bis(diphenylphosphino)acetylene Complexes-A Reactivity and Bonding Study","Journal of the American Chemical Society","2013","135","","17556","17565","10.1021/ja409320k","","","0.71073","MoKα","","0.046","0.0313","","","0.0773","0.0809","","","","","","1.063","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121172","18.136","0.0003","12.8709","0.0002","33.6094","0.0006","90","","97.837","0.001","90","","7772.1","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C49.5 H48 P2 Zr -","- C49.5 H48 P2 Zr -","- C396 H384 P16 Zr8 -","8","1","","Martin Haehnel; Sven Hansen; Kathleen Schubert; Perdita Arndt; Anke Spannenberg; Haijun Jiao; Uwe Rosenthal","Synthesis, Characterization and Reactivity of Group 4 Metallocene Bis(diphenylphosphino)acetylene Complexes-A Reactivity and Bonding Study","Journal of the American Chemical Society","2013","135","","17556","17565","10.1021/ja409320k","","","0.71073","MoKα","","0.0446","0.0368","","","0.0839","0.0886","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121173","15.5727","0.0004","15.8919","0.0004","16.9596","0.0004","78.389","0.001","68.904","0.001","79.209","0.001","3805.35","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C95.8 H87.2 P4 Zr2 -","- C95.8 H87.2 P4 Zr2 -","- C191.6 H174.4 P8 Zr4 -","2","1","","Martin Haehnel; Sven Hansen; Kathleen Schubert; Perdita Arndt; Anke Spannenberg; Haijun Jiao; Uwe Rosenthal","Synthesis, Characterization and Reactivity of Group 4 Metallocene Bis(diphenylphosphino)acetylene Complexes-A Reactivity and Bonding Study","Journal of the American Chemical Society","2013","135","","17556","17565","10.1021/ja409320k","","","0.71073","MoKα","","0.0511","0.0407","","","0.1007","0.1089","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121174","10.2288","0.0002","16.1867","0.0004","19.89","0.0004","98.728","0.001","97.499","0.001","100.128","0.001","3162.25","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H102 Ni2 O2 P4 -","- C68 H102 Ni2 O2 P4 -","- C136 H204 Ni4 O4 P8 -","2","1","","Martin Haehnel; Sven Hansen; Kathleen Schubert; Perdita Arndt; Anke Spannenberg; Haijun Jiao; Uwe Rosenthal","Synthesis, Characterization and Reactivity of Group 4 Metallocene Bis(diphenylphosphino)acetylene Complexes-A Reactivity and Bonding Study","Journal of the American Chemical Society","2013","135","","17556","17565","10.1021/ja409320k","","","0.71073","MoKα","","0.0645","0.0412","","","0.0996","0.1115","","","","","","1.028","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121175","7.2092","0.0007","9.1767","0.0006","17.0327","0.0016","90","","101.81","0.008","90","","1102.97","0.17","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Li[TcO(glyc)2]DMF","","","- C7 H15 Li N O6 Tc -","- C7 H15 Li N O6 Tc -","- C28 H60 Li4 N4 O24 Tc4 -","4","1","","Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband","Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes","Journal of the American Chemical Society","2013","135","","17566","17572","10.1021/ja409499u","","","0.71069","MoKα","","0.038","0.0316","","","0.0861","0.0884","","","","","","1.041","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121176","19.7741","0.0015","10.2626","0.0005","15.8185","0.0011","90","","107.132","0.009","90","","3067.7","0.4","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[TcO2(L1)4](PF6)glycH2","","","- C22 H38 F6 N8 O4 P Tc -","- C22 H38 F6 N8 O4 P Tc -","- C88 H152 F24 N32 O16 P4 Tc4 -","4","0.5","","Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband","Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes","Journal of the American Chemical Society","2013","135","","17566","17572","10.1021/ja409499u","","","0.71073","MoKα","","0.0631","0.0524","","","0.1238","0.1314","","","","","","1.094","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121177","12.8951","0.0007","10.5795","0.0004","18.3405","0.0009","90","","106.496","0.004","90","","2399.1","0.2","183","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[TcO2(L2)2]ClxH2O","","","- C18 H28 Cl N8 O4 Tc -","- C18 H28 Cl N8 O4 Tc -","- C72 H112 Cl4 N32 O16 Tc4 -","4","0.5","","Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband","Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes","Journal of the American Chemical Society","2013","135","","17566","17572","10.1021/ja409499u","","","0.71073","MoKα","","0.0388","0.0328","","","0.0888","0.0984","","","","","","1.266","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121178","9.764","0.001","8.2135","0.0006","15.6688","0.0015","90","","90.694","0.008","90","","1256.5","0.2","183","2","183","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","[TcO2(L2)2](PF6)xH2O","","","- C18 H26 F6 N8 O3 P Tc -","- C18 H26 F6 N8 O3 P Tc -","- C36 H52 F12 N16 O6 P2 Tc2 -","2","0.5","","Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband","Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes","Journal of the American Chemical Society","2013","135","","17566","17572","10.1021/ja409499u","","","0.71069","MoKα","","0.0657","0.0496","","","0.1202","0.1278","","","","","","1.118","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121179","10.9223","0.0005","11.4201","0.0004","12.9602","0.0006","83.541","0.003","87.715","0.004","62.811","0.004","1428.7","0.12","183","2","183","2","","","","","","","","8","P 1","P 1","1","[99TcOCl(L2)2](PF6)2","","","- C18 H24 Cl F12 N8 O P2 Tc -","- C18 H24 Cl F12 N8 O P2 Tc -","- C36 H48 Cl2 F24 N16 O2 P4 Tc2 -","2","2","","Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband","Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes","Journal of the American Chemical Society","2013","135","","17566","17572","10.1021/ja409499u","","","0.71073","MoKα","","0.053","0.0447","","","0.0945","0.1013","","","","","","1.044","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121180","8.6324","0.0002","9.6076","0.0003","18.6505","0.0005","86.566","0.002","80.875","0.002","88.031","0.002","1524.01","0.07","183","2","183","2","","","","","","","","7","P -1","-P 1","2","[TcO2(L3)2](PF6)x2.6H2O","","","- C22 H37.2 F6 N8 O4.6 P Tc -","- C22 H37.2 F6 N8 O4.6 P Tc -","- C44 H74.4 F12 N16 O9.2 P2 Tc2 -","2","1","","Michael Benz; Bernhard Spingler; Roger Alberto; Henrik Braband","Toward Organometallic 99mTc Imaging Agents: Synthesis of Water-Stable 99Tc-NHC Complexes","Journal of the American Chemical Society","2013","135","","17566","17572","10.1021/ja409499u","","","0.71073","MoKα","","0.066","0.049","","","0.1139","0.1246","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121181","18.8031","0.0014","5.8211","0.0005","17.3207","0.0013","90","","103.022","0.004","90","","1847.1","0.3","143","1","143","1","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 -","- C25 H24 -","- C100 H96 -","4","1","","Sheng-Chun Sha; Jiadi Zhang; Patrick J. Carroll; Patrick J. Walsh","Raising the pKa Limit of ""Soft"" Nucleophiles in Palladium-Catalyzed Allylic Substitutions: Application of Diarylmethane Pronucleophiles","Journal of the American Chemical Society","2013","135","","17602","17609","10.1021/ja409511n","","","0.71073","MoKα","","0.0922","0.0597","","","0.1474","0.168","","","","","","1.029","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121182","26.9518","0.0012","21.0329","0.0008","19.4833","0.0006","90","","101.37","0.0013","90","","10827.8","0.7","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57.5 H78 Cl N3 P2 -","- C57.5 H78 Cl N3 P2 -","- C460 H624 Cl8 N24 P16 -","8","1","","Shigekazu Ito; Yasuhiro Ueta; Trang Thi Thu Ngo; Makoto Kobayashi; Daisuke Hashizume; Jun-ichi Nishida; Yoshiro Yamashita; Koichi Mikami","Direct Arylations for Study of the Air-Stable P-Heterocyclic Biradical: From Wide Electronic Tuning to Characterization of the Localized Radicalic Electrons","Journal of the American Chemical Society","2013","135","","17610","17616","10.1021/ja409625x","","","0.71075","MoKα","","0.0888","0.0599","","","0.1652","0.1932","","","","","","1.191","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121183","9.5","0.0003","26.4002","0.0008","20.6701","0.0005","90","","91.5161","0.001","90","","5182.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H87 N5 P2 -","- C53 H87 N5 P2 -","- C212 H348 N20 P8 -","4","1","","Shigekazu Ito; Yasuhiro Ueta; Trang Thi Thu Ngo; Makoto Kobayashi; Daisuke Hashizume; Jun-ichi Nishida; Yoshiro Yamashita; Koichi Mikami","Direct Arylations for Study of the Air-Stable P-Heterocyclic Biradical: From Wide Electronic Tuning to Characterization of the Localized Radicalic Electrons","Journal of the American Chemical Society","2013","135","","17610","17616","10.1021/ja409625x","","","0.71075","MoKα","","0.0766","0.0544","","","0.1507","0.1721","","","","","","1.16","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121184","9.4039","0.0005","15.7033","0.0008","19.3399","0.001","70.5365","0.0015","82.3034","0.0017","88.2449","0.0018","2668.2","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H87 N5 P2 -","- C53 H87 N5 P2 -","- C106 H174 N10 P4 -","2","1","","Shigekazu Ito; Yasuhiro Ueta; Trang Thi Thu Ngo; Makoto Kobayashi; Daisuke Hashizume; Jun-ichi Nishida; Yoshiro Yamashita; Koichi Mikami","Direct Arylations for Study of the Air-Stable P-Heterocyclic Biradical: From Wide Electronic Tuning to Characterization of the Localized Radicalic Electrons","Journal of the American Chemical Society","2013","135","","17610","17616","10.1021/ja409625x","","","0.71075","MoKα","","0.1015","0.0605","","","0.1547","0.2297","","","","","","1.363","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121185","8.6852","0.0001","11.6707","0.0002","11.6814","0.0001","67.538","0.0007","89.0645","0.0007","84.039","0.0001","1087.96","0.02","90","","90","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H68 P2 -","- C50 H68 P2 -","- C50 H68 P2 -","1","0.5","","Shigekazu Ito; Yasuhiro Ueta; Trang Thi Thu Ngo; Makoto Kobayashi; Daisuke Hashizume; Jun-ichi Nishida; Yoshiro Yamashita; Koichi Mikami","Direct Arylations for Study of the Air-Stable P-Heterocyclic Biradical: From Wide Electronic Tuning to Characterization of the Localized Radicalic Electrons","Journal of the American Chemical Society","2013","135","","17610","17616","10.1021/ja409625x","","","0.71073","MoKα","","0.0492","0.0338","","","0.1036","0.1131","","","","","","1.027","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121186","17.4396","0.0003","23.2554","0.0003","10.908","0.0001","90","","95.4413","0.0009","90","","4403.97","0.1","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C49 H74 P2 -","- C49 H74 P2 -","- C196 H296 P8 -","4","1","","Shigekazu Ito; Yasuhiro Ueta; Trang Thi Thu Ngo; Makoto Kobayashi; Daisuke Hashizume; Jun-ichi Nishida; Yoshiro Yamashita; Koichi Mikami","Direct Arylations for Study of the Air-Stable P-Heterocyclic Biradical: From Wide Electronic Tuning to Characterization of the Localized Radicalic Electrons","Journal of the American Chemical Society","2013","135","","17610","17616","10.1021/ja409625x","","","0.71073","MoKα","","0.0615","0.0324","","","0.0865","0.0918","","","","","","0.9","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121187","11.871","0.003","13.179","0.003","21.761","0.005","90","","90","","90","","3404.5","1.4","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Br O2 -","- C19 H21 Br O2 -","- C152 H168 Br8 O16 -","8","2","","Wen-Bo Liu; Corey M. Reeves; Brian M. Stoltz","Enantio-, Diastereo-, and Regioselective Iridium-Catalyzed Asymmetric Allylic Alkylation of Acyclic β-Ketoesters","Journal of the American Chemical Society","2013","135","","17298","17301","10.1021/ja4097829","","","0.71073","MoKα","","0.0967","0.0549","","","0.1052","0.1137","","","","","","1.307","","","","has coordinates,has Fobs","179013","2020-10-21","18:00:00",""
"4121188","9.488","0.005","20.058","0.011","10.155","0.006","90","","113.57","0.009","90","","1771.4","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 O -","- C25 H18 O -","- C100 H72 O4 -","4","1","","Jiang Nan; Zhijun Zuo; Lei Luo; Lu Bai; Huayu Zheng; Yini Yuan; Jingjing Liu; Xinjun Luan; Yaoyu Wang","RuII-Catalyzed Vinylative Dearomatization of Naphthols via a C(sp2)-H Bond Activation Approach","Journal of the American Chemical Society","2013","135","","17306","17309","10.1021/ja410060e","","","0.71073","MoKα","","0.1108","0.0713","","","0.2091","0.2458","","","","","","1.095","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121189","9.3081","0.0004","20.25","0.0008","12.3449","0.0004","90","","121.081","0.002","90","","1992.83","0.14","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cr N O3 Pt -","- C22 H21 Cr N O3 Pt -","- C88 H84 Cr4 N4 O12 Pt4 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0647","0.0401","","","0.064","0.0696","","","","","","1.008","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121190","9.2219","0.0004","20.3172","0.0007","12.3696","0.0004","90","","120.462","0.002","90","","1997.7","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 Cr N O3 Pd -","- C22 H21 Cr N O3 Pd -","- C88 H84 Cr4 N4 O12 Pd4 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0332","0.0228","","","0.0495","0.0526","","","","","","1.025","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121191","14.8707","0.0006","8.8067","0.0004","19.4475","0.0006","90","","126.477","0.002","90","","2047.93","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cr F N O3 Pd -","- C22 H20 Cr F N O3 Pd -","- C88 H80 Cr4 F4 N4 O12 Pd4 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0514","0.0361","","","0.0801","0.0892","","","","","","1.083","","","","has coordinates,has disorder","179013","2020-10-21","18:00:00",""
"4121192","9.144","0.001","20.219","0.001","12.4097","0.0009","90","","119.654","0.005","90","","1993.8","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cr F N O3 Pd -","- C22 H20 Cr F N O3 Pd -","- C88 H80 Cr4 F4 N4 O12 Pd4 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71069","MoKα","","0.0301","0.0275","","","0.0819","0.0854","","","","","","1.052","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121193","9.2218","0.0003","13.556","0.0005","9.316","0.0003","90","","117.519","0.001","90","","1032.83","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H23 Cr N O3 Pd -","- C23 H23 Cr N O3 Pd -","- C46 H46 Cr2 N2 O6 Pd2 -","2","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0147","0.0141","","","0.0365","0.0367","","","","","","1.079","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121194","9.503","0.001","13.657","0.001","15.772","0.001","90","","90.096","0.001","90","","2046.9","0.3","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H23 Cr N O3 Pd -","- C23 H23 Cr N O3 Pd -","- C92 H92 Cr4 N4 O12 Pd4 -","4","2","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71069","MoKα","","0.0423","0.0404","","","0.0898","0.0912","","","","","","1.096","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121195","9.4903","0.0016","13.664","0.002","15.769","0.003","90","","90.209","0.004","90","","2044.8","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H23 Cr N O3 Pd -","- C23 H23 Cr N O3 Pd -","- C92 H92 Cr4 N4 O12 Pd4 -","4","2","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.076","0.0705","","","0.2075","0.2118","","","","","","1.058","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121196","8.9797","0.0005","18.9572","0.001","16.0973","0.0007","90","","121.068","0.002","90","","2347.2","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cr Fe N O3 Pd -","- C26 H25 Cr Fe N O3 Pd -","- C104 H100 Cr4 Fe4 N4 O12 Pd4 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0698","0.0412","","","0.0815","0.0898","","","","","","1.01","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121197","16.4518","0.0006","15.2154","0.0006","24.1031","0.0009","90","","90","","90","","6033.5","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H21 Cl4 Cr2 N O6 Pd -","- C29 H21 Cl4 Cr2 N O6 Pd -","- C232 H168 Cl32 Cr16 N8 O48 Pd8 -","8","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0658","0.0471","","","0.0876","0.0965","","","","","","1.152","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121198","8.5797","0.0003","10.7318","0.0004","12.1582","0.0005","90","","90","","90","","1119.47","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Cr O3 -","- C13 H10 Cr O3 -","- C52 H40 Cr4 O12 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.025","0.0229","","","0.0624","0.0637","","","","","","1.053","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121199","8.5819","0.0003","10.7371","0.0004","12.1553","0.0005","90","","90","","90","","1120.05","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 Cr O3 -","- C13 H10 Cr O3 -","- C52 H40 Cr4 O12 -","4","1","","Christophe Werlé; Corinne Bailly; Lydia Karmazin-Brelot; Xavier-Frédéric Le Goff; Louis Ricard; Jean-Pierre Djukic","Hemichelation, a Way To Stabilize Electron-Unsaturated Complexes: The Case of T-Shaped Pd and Pt Metallacycles.","Journal of the American Chemical Society","2013","135","","17839","17852","10.1021/ja4076327","","","0.71073","MoKα","","0.0282","0.0247","","","0.0675","0.0694","","","","","","1.053","","","","has coordinates","179013","2020-10-21","18:00:00",""
"4121200","6.3104","0.0006","11.2957","0.001","11.5156","0.0011","113.259","0.006","97.63","0.006","94.944","0.006","738.74","0.13","123","","123","","","","","","","","","6","P 1","P 1","1","","","","- C33 H34 B Li N2 O6 -","- C33 H34 B Li N2 O6 -","- C33 H34 B Li N2 O6 -","1","1","","Takuya Hashimoto; Alberto Osuna Gálvez; Keiji Maruoka","In Situ Assembled Boronate Ester Assisted Chiral Carboxylic Acid Catalyzed Asymmetric Trans-Aziridinations","Journal of the American Chemical Society","2013","135","","17667","17670","10.1021/ja407764u","","","1.54187","CuKα","","","0.0747","","","","0.277","","","","","","1.092","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121201","16.894","0.004","16.778","0.004","22.935","0.006","90","","97.635","0.005","90","","6443","3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H112 Cl2 N12 W2 -","- C60 H112 Cl2 N12 W2 -","- C240 H448 Cl8 N48 W8 -","4","1","","Gina M. Chiarella; F. Albert Cotton; Jason C. Durivage; Dennis L. Lichtenberger; Carlos A. Murillo","Solubilizing the Most Easily Ionized Molecules and Generating Powerful Reducing Agents","Journal of the American Chemical Society","2013","135","","17889","17896","10.1021/ja408291k","","","0.71073","MoKα","","0.1018","0.0518","","","0.0968","0.1077","","","","","","0.897","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121202","24.256","0.005","23.817","0.005","25.791","0.005","90","","90","","90","","14900","5","213","2","213","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C48 H88 Cl10 N12 W2 -","- C48 H88 Cl10 N12 W2 -","- C384 H704 Cl80 N96 W16 -","8","1","","Gina M. Chiarella; F. Albert Cotton; Jason C. Durivage; Dennis L. Lichtenberger; Carlos A. Murillo","Solubilizing the Most Easily Ionized Molecules and Generating Powerful Reducing Agents","Journal of the American Chemical Society","2013","135","","17889","17896","10.1021/ja408291k","","","0.71073","MoKα","","0.0631","0.027","","","0.0609","0.0677","","","","","","0.941","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121203","10.197","0.006","12.777","0.008","13.452","0.008","112.441","0.009","90.278","0.01","110.086","0.01","1502.6","1.6","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H80 N12 W2 -","- C44 H80 N12 W2 -","- C44 H80 N12 W2 -","1","0.5","","Gina M. Chiarella; F. Albert Cotton; Jason C. Durivage; Dennis L. Lichtenberger; Carlos A. Murillo","Solubilizing the Most Easily Ionized Molecules and Generating Powerful Reducing Agents","Journal of the American Chemical Society","2013","135","","17889","17896","10.1021/ja408291k","","","0.71073","MoKα","","0.1541","0.0862","","","0.1562","0.1744","","","","","","1.052","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121204","40.091","0.005","7.8348","0.0009","16.111","0.002","90","","113.26","0.008","90","","4649.2","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C208 H256 N16 O16 -","8","1","","Yuetao Zhang; Meghan Schmitt; Laura Falivene; Lucia Caporaso; Luigi Cavallo; Eugene Y.-X. Chen","Organocatalytic Conjugate-Addition Polymerization of Linear and Cyclic Acrylic Monomers by N-Heterocyclic Carbenes: Mechanisms of Chain Initiation, Propagation, and Termination","Journal of the American Chemical Society","2013","135","","17925","17942","10.1021/ja4088677","","","0.71073","MoKα","","0.0668","0.044","","","0.1183","0.1357","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121205","10.3046","0.001","14.9806","0.0015","12.1361","0.0012","90","","111.332","0.004","90","","1745.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 N2 O4 -","- C16 H28 N2 O4 -","- C64 H112 N8 O16 -","4","1","","Yuetao Zhang; Meghan Schmitt; Laura Falivene; Lucia Caporaso; Luigi Cavallo; Eugene Y.-X. Chen","Organocatalytic Conjugate-Addition Polymerization of Linear and Cyclic Acrylic Monomers by N-Heterocyclic Carbenes: Mechanisms of Chain Initiation, Propagation, and Termination","Journal of the American Chemical Society","2013","135","","17925","17942","10.1021/ja4088677","","","0.71073","MoKα","","0.0441","0.041","","","0.1056","0.1085","","","","","","1.056","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121206","29.0878","0.0006","10.0431","0.0002","26.8906","0.0005","90","","90","","90","","7855.6","0.3","100","2","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C68 H76 Cl4 N6 O8 -","- C68 H76 Cl4 N6 O8 -","- C272 H304 Cl16 N24 O32 -","4","0.5","","Sergio Grunder; Psaras L. McGrier; Adam C. Whalley; Megan M. Boyle; Charlotte Stern; J. Fraser Stoddart","A Water-Soluble pH-Triggered Molecular Switch","Journal of the American Chemical Society","2013","135","","17691","17694","10.1021/ja409006y","","","1.54184","CuKα","","0.1709","0.1293","","","0.3903","0.419","","","","","","1.59","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121207","13.34","0.004","13.59","0.003","25.053","0.007","86.557","0.008","81.545","0.01","76.912","0.009","4374","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H94 F24 N12 O8 P4 -","- C80 H94 F24 N12 O8 P4 -","- C160 H188 F48 N24 O16 P8 -","2","1","","Sergio Grunder; Psaras L. McGrier; Adam C. Whalley; Megan M. Boyle; Charlotte Stern; J. Fraser Stoddart","A Water-Soluble pH-Triggered Molecular Switch","Journal of the American Chemical Society","2013","135","","17691","17694","10.1021/ja409006y","","","1.54178","CuKα","","0.0525","0.0431","","","0.1201","0.1264","","","","","","1.079","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121208","29.6","0.04","9.899","0.014","28","0.04","90","","102","0.03","90","","8025","19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H78 Cl4 N6 O16 -","- C68 H78 Cl4 N6 O16 -","- C272 H312 Cl16 N24 O64 -","4","1","","Sergio Grunder; Psaras L. McGrier; Adam C. Whalley; Megan M. Boyle; Charlotte Stern; J. Fraser Stoddart","A Water-Soluble pH-Triggered Molecular Switch","Journal of the American Chemical Society","2013","135","","17691","17694","10.1021/ja409006y","","","1.54178","CuKα","","0.1478","0.1285","","","0.3748","0.3874","","","","","","1.513","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121209","13.302","0.004","13.352","0.004","19.894","0.004","95.63","0.07","104.8","0.06","117.75","0.06","2924","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H46 Cl2 Cu2 Gd2 N8 O33 P8 -","- C24 H46 Cl2 Cu2 Gd2 N8 O33 P8 -","- C48 H92 Cl4 Cu4 Gd4 N16 O66 P16 -","2","1","","Arnau Carné-Sánchez; Célia S. Bonnet; Inhar Imaz; Julia Lorenzo; Éva Tóth; Daniel Maspoch","Relaxometry Studies of a Highly Stable Nanoscale Metal-Organic Framework Made of Cu(II), Gd(III), and the Macrocyclic DOTP","Journal of the American Chemical Society","2013","135","","17711","17714","10.1021/ja4094378","","","0.71073","MoKα","","0.0816","0.0763","","","0.2118","0.219","","","","","","1.045","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121210","20.002","0.003","11.4486","0.0016","16.359","0.002","90","","90","","90","","3746.1","0.9","238","2","238","2","","","","","","","","5","P n m a","-P 2ac 2n","62","KM40","","","- C36 H56 Er K O8 -","- C36 H56 Er K O8 -","- C144 H224 Er4 K4 O32 -","4","0.5","","Katie R. Meihaus; Jeffrey R. Long","Magnetic Blocking at 10 K and a Dipolar-Mediated Avalanche in Salts of the Bis(η8-cyclooctatetraenide) Complex [Er(COT)2]-","Journal of the American Chemical Society","2013","135","","17952","17957","10.1021/ja4094814","","","0.71073","MoKα","","0.0385","0.0331","","","0.0794","0.084","","","","","","1.062","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121211","7.7894","0.0015","9.3374","0.0018","13.184","0.003","84.992","0.003","83.644","0.003","89.27","0.003","949.4","0.3","239","2","239","2","","","","","","","","5","P -1","-P 1","2","KM43","","","- C36 H56 Er K O8 -","- C36.068 H56.136 Er K O8 -","- C36.068 H56.136 Er K O8 -","1","0.5","","Katie R. Meihaus; Jeffrey R. Long","Magnetic Blocking at 10 K and a Dipolar-Mediated Avalanche in Salts of the Bis(η8-cyclooctatetraenide) Complex [Er(COT)2]-","Journal of the American Chemical Society","2013","135","","17952","17957","10.1021/ja4094814","","","0.71073","MoKα","","0.0178","0.0177","","","0.0455","0.0455","","","","","","1.021","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121212","13.0729","0.0004","15.5542","0.0005","15.738","0.0005","72.594","0.001","77.347","0.001","67.149","0.001","2794.62","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","KM45","","","- C27 H42 K0.75 O6 Y0.75 -","- C27 H42 K0.75 O6 Y0.75 -","- C108 H168 K3 O24 Y3 -","4","2","","Katie R. Meihaus; Jeffrey R. Long","Magnetic Blocking at 10 K and a Dipolar-Mediated Avalanche in Salts of the Bis(η8-cyclooctatetraenide) Complex [Er(COT)2]-","Journal of the American Chemical Society","2013","135","","17952","17957","10.1021/ja4094814","","","0.71073","MoKα","","0.0819","0.0764","","","0.208","0.2139","","","","","","1.083","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121213","13.271","0.003","15.83","0.003","15.868","0.003","72.624","0.003","66.105","0.003","76.991","0.003","2888","1","238","2","238","2","","","","","","","","5","P -1","-P 1","2","KM48","","","- C27 H42 Dy0.75 K0.75 O6 -","- C27 H42 Dy0.75 K0.75 O6 -","- C108 H168 Dy3 K3 O24 -","4","2","","Katie R. Meihaus; Jeffrey R. Long","Magnetic Blocking at 10 K and a Dipolar-Mediated Avalanche in Salts of the Bis(η8-cyclooctatetraenide) Complex [Er(COT)2]-","Journal of the American Chemical Society","2013","135","","17952","17957","10.1021/ja4094814","","","0.71073","MoKα","","0.0324","0.0287","","","0.0736","0.077","","","","","","1.045","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121214","13.162","0.002","15.616","0.003","15.635","0.003","72.467","0.003","67.322","0.002","78.121","0.003","2812.6","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","KM42","","","- C27 H42.25 K0.75 O6 Sm0.75 -","- C27 H42 K0.75 O6 Sm0.75 -","- C108 H168 K3 O24 Sm3 -","4","2","","Katie R. Meihaus; Jeffrey R. Long","Magnetic Blocking at 10 K and a Dipolar-Mediated Avalanche in Salts of the Bis(η8-cyclooctatetraenide) Complex [Er(COT)2]-","Journal of the American Chemical Society","2013","135","","17952","17957","10.1021/ja4094814","","","0.71073","MoKα","","0.0632","0.0513","","","0.131","0.1433","","","","","","1.058","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121215","10.068","0.005","24.162","0.005","26.174","0.005","90","0.005","99.656","0.005","90","0.005","6277","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H154 N4 P6 Pt4 Si6 -","- C126 H154 N4 P6 Pt4 Si6 -","- C252 H308 N8 P12 Pt8 Si12 -","2","0.5","","Nora C. Breit; Tibor Szilvási; Tsuyoshi Suzuki; Daniel Gallego; Shigeyoshi Inoue","From a Zwitterionic Phosphasilene to Base Stabilized Silyliumylidene-Phosphide and Bis(silylene) Complexes","Journal of the American Chemical Society","2013","135","","17958","17968","10.1021/ja409720c","","","0.71069","MoKα","","0.0437","0.034","","","0.0957","0.0978","","","","","","1.447","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121216","12.2099","0.0011","13.6641","0.0011","18.0233","0.0017","89.804","0.007","80.657","0.007","69.81","0.008","2780.3","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H83 N4 Ni P Si3 -","- C55 H83 N4 Ni P Si3 -","- C110 H166 N8 Ni2 P2 Si6 -","2","1","","Nora C. Breit; Tibor Szilvási; Tsuyoshi Suzuki; Daniel Gallego; Shigeyoshi Inoue","From a Zwitterionic Phosphasilene to Base Stabilized Silyliumylidene-Phosphide and Bis(silylene) Complexes","Journal of the American Chemical Society","2013","135","","17958","17968","10.1021/ja409720c","","","0.71073","MoKα","","0.1438","0.0837","","","0.1326","0.1562","","","","","","1.032","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4121217","16.2714","0.0017","13.8754","0.0012","16.5807","0.0015","90","","104.427","0.003","90","","3625.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TPPN (1)","1,8-Bis(trispyrrolidinophosphazenyl)naphthalene","","- C36 H57 N9 P2 -","- C36 H57 N9 P2 -","- C144 H228 N36 P8 -","4","1","","Julius F. Kögel; Benjamin Oelkers; Borislav Kovačević; Jörg Sundermeyer","A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges: The Run for the Best Chelating Ligand for a Proton","Journal of the American Chemical Society","2013","135","","17768","17774","10.1021/ja409760z","","","0.71073","MoKα","","0.0821","0.05","","","0.1091","0.1276","","","","","","1.059","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121218","12.5184","0.0006","14.6995","0.0005","28.0986","0.0012","90","","98.583","0.004","90","","5112.6","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","P2-TPPN (2)","1,8-Bis-[tris(pyrrolidino)phosphazenylbis(pyrrolidino)phosphazenyl]naphthalene","","- C50 H86 N14 P4 -","- C50 H86 N14 P4 -","- C200 H344 N56 P16 -","4","0.5","","Julius F. Kögel; Benjamin Oelkers; Borislav Kovačević; Jörg Sundermeyer","A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges: The Run for the Best Chelating Ligand for a Proton","Journal of the American Chemical Society","2013","135","","17768","17774","10.1021/ja409760z","","","0.71073","MoKα","","0.0644","0.0322","","","0.0608","0.065","","","","","","0.76","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121219","17.6867","0.0008","17.8745","0.0006","26.9816","0.0008","90","","90","","90","","8530","0.5","100","2","100","2","","","","","","","","7","P c a 21","P 2c -2ac","29","TPPN x HN(SO2CF3)2","1,8-Bis(trispyrrolidinophosphazenyl)naphthalene x HN(SO2CF3)2","","- C36 H55 F6 N9 O4 P2 S2 -","- C36 H55 F6 N9 O4 P2 S2 -","- C288 H440 F48 N72 O32 P16 S16 -","8","2","","Julius F. Kögel; Benjamin Oelkers; Borislav Kovačević; Jörg Sundermeyer","A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges: The Run for the Best Chelating Ligand for a Proton","Journal of the American Chemical Society","2013","135","","17768","17774","10.1021/ja409760z","","","0.71073","MoKα","","0.107","0.0482","","","0.0919","0.1022","","","","","","0.687","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121220","12.826","0.003","32.917","0.008","14.386","0.003","90","","95.424","0.007","90","","6046","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","P2-TPPN (2) x HN(SO2CF3)2","1,8-Bis-[tris(pyrrolidino)phosphazenylbis(pyrrolidino)phosphazenyl]naphthalene x HN(SO2CF3)2","","- C52 H87 F6 N15 O4 P4 S2 -","- C52 H87 F6 N15 O4 P4 S2 -","- C208 H348 F24 N60 O16 P16 S8 -","4","1","","Julius F. Kögel; Benjamin Oelkers; Borislav Kovačević; Jörg Sundermeyer","A New Synthetic Pathway to the Second and Third Generation of Superbasic Bisphosphazene Proton Sponges: The Run for the Best Chelating Ligand for a Proton","Journal of the American Chemical Society","2013","135","","17768","17774","10.1021/ja409760z","","","0.71073","MoKα","","0.0896","0.048","","","0.0886","0.1043","","","","","","1.011","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121221","11.452","0.002","8.527","0.002","13.432","0.003","90","","113.31","0.02","90","","1204.6","0.5","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H40 Cl N P2 Rh -","- C20 H40 Cl N P2 Rh -","- C40 H80 Cl2 N2 P4 Rh2 -","2","0.5","","Markus G. Scheibel; Yanlin Wu; A. Claudia Stückl; Lennard Krause; Elena Carl; Dietmar Stalke; Bas de Bruin; Sven Schneider","Synthesis and Reactivity of a Transient, Terminal Nitrido Complex of Rhodium","Journal of the American Chemical Society","2013","135","","17719","17722","10.1021/ja409764j","","","0.71073","MoKα","","0.0202","0.0183","","","0.0472","0.0481","","","","","","1.085","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121222","7.867","0.002","27.05","0.006","11.866","0.002","90","","106.53","0.02","90","","2420.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 N3 P2 Rh -","- C20 H40 N3 P2 Rh -","- C80 H160 N12 P8 Rh4 -","4","1","","Markus G. Scheibel; Yanlin Wu; A. Claudia Stückl; Lennard Krause; Elena Carl; Dietmar Stalke; Bas de Bruin; Sven Schneider","Synthesis and Reactivity of a Transient, Terminal Nitrido Complex of Rhodium","Journal of the American Chemical Society","2013","135","","17719","17722","10.1021/ja409764j","","","0.56085","AgKα","","0.06","0.0455","","","0.092","0.0967","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121223","10.1464","0.001","10.4691","0.001","19.064","0.002","77.982","0.01","81.91","0.02","75.721","0.01","1910.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H60 Cl N P3 Rh -","- C38 H60 Cl N P3 Rh -","- C76 H120 Cl2 N2 P6 Rh2 -","2","1","","Markus G. Scheibel; Yanlin Wu; A. Claudia Stückl; Lennard Krause; Elena Carl; Dietmar Stalke; Bas de Bruin; Sven Schneider","Synthesis and Reactivity of a Transient, Terminal Nitrido Complex of Rhodium","Journal of the American Chemical Society","2013","135","","17719","17722","10.1021/ja409764j","","","0.56086","AgKα","","0.0676","0.0478","","","0.0921","0.0992","","","","","","1.051","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121224","10.4794","0.0016","16.567","0.003","17.166","0.003","84.697","0.004","89.874","0.004","80.039","0.003","2922.5","0.9","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H39 Cl4 N8 O12 Ru2 S2 -","- C59 H39 Cl4 N8 O12 Ru2 S2 -","- C118 H78 Cl8 N16 O24 Ru4 S4 -","2","1","","Masaki Nishio; Norihisa Hoshino; Wataru Kosaka; Tomoyuki Akutagawa; Hitoshi Miyasaka","Carrier Concentration Dependent Conduction in Insulator-Doped Donor/Acceptor Chain Compounds","Journal of the American Chemical Society","2013","135","","17715","17718","10.1021/ja409785a","","","0.71075","MoKα","","","0.0373","","","","0.0992","","","","","","1.052","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121225","10.407","0.0016","16.616","0.003","17.22","0.003","85.105","0.006","89.676","0.005","80.244","0.005","2923.8","0.9","97","","97","","","","","","","","","7","P -1","-P 1","2","","","","- C57.5 H37.5 Cl4 N8 O12 Rh2 S2 -","- C57.5 H37.5 Cl4 N8 O12 Rh2 S2 -","- C115 H75 Cl8 N16 O24 Rh4 S4 -","2","1","","Masaki Nishio; Norihisa Hoshino; Wataru Kosaka; Tomoyuki Akutagawa; Hitoshi Miyasaka","Carrier Concentration Dependent Conduction in Insulator-Doped Donor/Acceptor Chain Compounds","Journal of the American Chemical Society","2013","135","","17715","17718","10.1021/ja409785a","","","0.71075","MoKα","","","0.0608","","","","0.1672","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121226","10.4829","0.0012","16.5442","0.0017","17.22","0.002","84.962","0.004","89.741","0.004","80.141","0.004","2930.8","0.6","97","","97","","","","","","","","","8","P -1","-P 1","2","","","","- C59 H39 Cl4 N8 O12 Rh0.06 Ru1.94 S2 -","- C59 H39 Cl4 N8 O12 Rh0.06 Ru1.94 S2 -","- C118 H78 Cl8 N16 O24 Rh0.12 Ru3.88 S4 -","2","1","","Masaki Nishio; Norihisa Hoshino; Wataru Kosaka; Tomoyuki Akutagawa; Hitoshi Miyasaka","Carrier Concentration Dependent Conduction in Insulator-Doped Donor/Acceptor Chain Compounds","Journal of the American Chemical Society","2013","135","","17715","17718","10.1021/ja409785a","","","0.71075","MoKα","","","0.0471","","","","0.1357","","","","","","1.062","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121227","10.4807","0.0013","16.5476","0.0019","17.218","0.002","84.951","0.004","89.769","0.004","80.148","0.003","2930.5","0.6","97","","97","","","","","","","","","8","P -1","-P 1","2","","","","- C59 H39 Cl4 N8 O12 Rh0.1 Ru1.9 S2 -","- C59 H39 Cl4 N8 O12 Rh0.1 Ru1.9 S2 -","- C118 H78 Cl8 N16 O24 Rh0.2 Ru3.8 S4 -","2","1","","Masaki Nishio; Norihisa Hoshino; Wataru Kosaka; Tomoyuki Akutagawa; Hitoshi Miyasaka","Carrier Concentration Dependent Conduction in Insulator-Doped Donor/Acceptor Chain Compounds","Journal of the American Chemical Society","2013","135","","17715","17718","10.1021/ja409785a","","","0.71075","MoKα","","","0.0485","","","","0.1374","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121228","10.4709","0.0012","16.566","0.002","17.224","0.002","84.981","0.004","89.787","0.004","80.17","0.003","2932.3","0.6","97","","97","","","","","","","","","8","P -1","-P 1","2","","","","- C59 H39 Cl4 N8 O12 Rh0.32 Ru1.68 S2 -","- C59 H39 Cl4 N8 O12 Rh0.32 Ru1.68 S2 -","- C118 H78 Cl8 N16 O24 Rh0.64 Ru3.36 S4 -","2","1","","Masaki Nishio; Norihisa Hoshino; Wataru Kosaka; Tomoyuki Akutagawa; Hitoshi Miyasaka","Carrier Concentration Dependent Conduction in Insulator-Doped Donor/Acceptor Chain Compounds","Journal of the American Chemical Society","2013","135","","17715","17718","10.1021/ja409785a","","","0.71075","MoKα","","","0.0481","","","","0.1388","","","","","","1.048","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121229","10.8826","0.0002","10.0476","0.0002","12.753","0.0002","90","","113.369","0.001","90","","1280.08","0.04","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N4 O9 -","- C25 H28 N4 O9 -","- C50 H56 N8 O18 -","2","1","","Robert J. Sharpe; Justin T. Malinowski; Jeffrey S. Johnson","Asymmetric Synthesis of the Aminocyclitol Pactamycin, a Universal Translocation Inhibitor","Journal of the American Chemical Society","2013","135","","17990","17998","10.1021/ja409944u","","","1.54178","CuKα","","0.0259","0.0258","","","0.0678","0.0679","","","","","","1.062","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121230","8.4499","0.0004","10.619","0.0007","21.3899","0.001","90","","90","","90","","1919.3","0.18","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O5 -","- C19 H24 N2 O5 -","- C76 H96 N8 O20 -","4","1","","Robert J. Sharpe; Justin T. Malinowski; Jeffrey S. Johnson","Asymmetric Synthesis of the Aminocyclitol Pactamycin, a Universal Translocation Inhibitor","Journal of the American Chemical Society","2013","135","","17990","17998","10.1021/ja409944u","","","1.54178","CuKα","","0.047","0.0417","","","0.1031","0.1082","","","","","","1.043","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121231","7.4625","0.0001","16.3138","0.0002","17.2618","0.0002","111.137","0.001","97.944","0.001","92.243","0.001","1932.26","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H55 N3 O5 Si2 -","- C34 H55 N3 O5 Si2 -","- C68 H110 N6 O10 Si4 -","2","1","","Robert J. Sharpe; Justin T. Malinowski; Jeffrey S. Johnson","Asymmetric Synthesis of the Aminocyclitol Pactamycin, a Universal Translocation Inhibitor","Journal of the American Chemical Society","2013","135","","17990","17998","10.1021/ja409944u","","","1.54178","CuKα","","0.0556","0.0441","","","0.1125","0.1183","","","","","","1.04","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121232","7.6978","0.0004","15.238","0.0009","10.3159","0.0006","90","","96.133","0.003","90","","1203.12","0.12","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C52 H80 O8 -","4","1","","Pieter H. Bos; Mitchell T. Antalek; John A. Porco; Corey R. J. Stephenson","Tandem Dienone Photorearrangement-Cycloaddition for the Rapid Generation of Molecular Complexity","Journal of the American Chemical Society","2013","135","","17978","17982","10.1021/ja409992m","","","1.54178","CuKα","","0.0324","0.0323","","","0.0857","0.0858","","","","","","1.051","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121233","8.1528","0.0002","15.6908","0.0005","11.0625","0.0003","90","","90.148","0.001","90","","1415.15","0.07","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 O4 -","- C18 H20 O4 -","- C72 H80 O16 -","4","1","","Pieter H. Bos; Mitchell T. Antalek; John A. Porco; Corey R. J. Stephenson","Tandem Dienone Photorearrangement-Cycloaddition for the Rapid Generation of Molecular Complexity","Journal of the American Chemical Society","2013","135","","17978","17982","10.1021/ja409992m","","","1.54178","CuKα","","0.0382","0.0351","","","0.0985","0.1102","","","","","","1.157","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121234","60.2324","0.0011","60.2324","0.0011","60.2324","0.0011","90","","90","","90","","218520","7","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C47 H26 O13 Zn4 -","- C47 H26 O13 Zn4 -","- C2256 H1248 O624 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.0888","0.0829","","","0.2387","0.2463","","","","","","1.071","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121235","60.2289","0.0007","60.2289","0.0007","60.2289","0.0007","90","","90","","90","","218482","4","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C47 H25 N O13 Zn4 -","- C47 H25 N O13 Zn4 -","- C2256 H1200 N48 O624 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.1148","0.0885","","","0.2526","0.2854","","","","","","1.045","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121236","60.2326","0.0006","60.2326","0.0006","60.2326","0.0006","90","","90","","90","","218522","4","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C49 H27 O13 Zn4 -","- C49 H27 O13 Zn4 -","- C2352 H1296 O624 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.1273","0.0878","","","0.2476","0.2819","","","","","","1.072","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121237","60.2136","0.0006","60.2136","0.0006","60.2136","0.0006","90","","90","","90","","218315","4","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C49 H26 N O13 Zn4 -","- C49 H26 N O13 Zn4 -","- C2352 H1248 N48 O624 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.1194","0.0833","","","0.2365","0.2825","","","","","","1.024","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121238","60.3052","0.0011","60.3052","0.0011","60.3052","0.0011","90","","90","","90","","219313","7","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C51 H34 O17 Zn4 -","- C51 H34 O17 Zn4 -","- C2448 H1632 O816 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.1404","0.1063","","","0.3041","0.3269","","","","","","1.04","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121239","60.2594","0.0006","60.2594","0.0006","60.2594","0.0006","90","","90","","90","","218814","4","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C51 H33 N O17 Zn4 -","- C51 H33 N O17 Zn4 -","- C2448 H1584 N48 O816 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.116","0.0897","","","0.2541","0.2939","","","","","","1.1","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121240","60.29","0.002","60.29","0.002","60.29","0.002","90","","90","","90","","219147","13","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C53 H35 O17 Zn4 -","- C53 H35 O17 Zn4 -","- C2544 H1680 O816 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.119","0.0884","","","0.2573","0.2939","","","","","","1.035","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121241","60.2419","0.0006","60.2419","0.0006","60.2419","0.0006","90","","90","","90","","218623","4","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C53 H34 N O17 Zn4 -","- C53 H34 N O17 Zn4 -","- C2544 H1632 N48 O816 Zn192 -","48","1","","Lujia Liu; Kristina Konstas; Matthew R. Hill; Shane G. Telfer","Programmed Pore Architectures in Modular Quaternary Metal-Organic Frameworks","Journal of the American Chemical Society","2013","135","","17731","17734","10.1021/ja4100244","","","1.54178","CuKα","","0.1243","0.1053","","","0.3133","0.324","","","","","","1.147","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121242","5.779","0.0008","10.64","0.0013","12.493","0.0015","90","","94.47","0.02","90","","765.84","0.17","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","C14H22BrClN2O","","","- C14 H22 Br Cl N2 O -","- C14 H22 Br Cl N2 O -","- C28 H44 Br2 Cl2 N4 O2 -","2","1","","Lydia J. Rono; Hatice G. Yayla; David Y. Wang; Michael F. Armstrong; Robert R. Knowles","Enantioselective Photoredox Catalysis Enabled by Proton-Coupled Electron Transfer: Development of an Asymmetric Aza-Pinacol Cyclization","Journal of the American Chemical Society","2013","135","","17735","17738","10.1021/ja4100595","","","1.54178","CuKα","","0.0257","0.0255","","","0.0663","0.0665","","","","","","1.08","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121243","23.3227","0.0003","23.3227","0.0003","25.7815","0.0004","90","","90","","120","","12145","0.3","120","2","120","2","","","","","","","","7","P 3 2 1","P 3 2""","150","","","","- C200 H240 F24 Fe4 N24 O24 S8 -","- C197.49 H240 F16.47 Fe4 N24 O16.47 S5.49 -","- C394.98 H480 F32.94 Fe8 N48 O32.94 S10.98 -","2","0.333333","","Ana M. Castilla; Naoki Ousaka; Rana A. Bilbeisi; Elisa Valeri; Tanya K. Ronson; Jonathan R. Nitschke","High-Fidelity Stereochemical Memory in a FeII4L4 Tetrahedral Capsule","Journal of the American Chemical Society","2013","135","","17999","18006","10.1021/ja410117q","","","1.5418","CuKα","","0.0848","0.08","","","0.2196","0.2259","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121244","8.1378","0.0002","14.7951","0.0005","27.4098","0.0009","90","","90","","90","","3300.13","0.18","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O3 -","- C20 H20 O3 -","- C160 H160 O24 -","8","2","","Zhongxing Huang; Guangbin Dong","Catalytic Direct β-Arylation of Simple Ketones with Aryl Iodides","Journal of the American Chemical Society","2013","135","","17747","17750","10.1021/ja410389a","","","0.71073","MoKα","","0.0573","0.0422","","","0.0983","0.1059","","","","","","1.003","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121245","9.2727","0.0005","11.474","0.0006","11.7505","0.0006","83.171","0.001","77.189","0.001","66.477","0.001","1117.12","0.1","166","2","166","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H36 Br2 N6 O2 Zn -","- C56 H36 Br2 N6 O2 Zn -","- C56 H36 Br2 N6 O2 Zn -","1","0.5","","Manik Lal Saha; Michael Schmittel","From 3-Fold Completive Self-Sorting of a Nine-Component Library to a Seven-Component Scalene Quadrilateral","Journal of the American Chemical Society","2013","135","","17743","17746","10.1021/ja410425k","","","0.71073","MoKα","","0.0824","0.0535","","","0.0871","0.0956","","","","","","1.074","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121246","14.8417","0.0007","15.1154","0.0007","15.8123","0.0007","67.937","0.001","67.118","0.001","88.145","0.001","3001.9","0.2","171","2","171","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H52 F6 N6 O11 S2 Zn -","- C67 H52 F6 N6 O11 S2 Zn -","- C134 H104 F12 N12 O22 S4 Zn2 -","2","1","","Manik Lal Saha; Michael Schmittel","From 3-Fold Completive Self-Sorting of a Nine-Component Library to a Seven-Component Scalene Quadrilateral","Journal of the American Chemical Society","2013","135","","17743","17746","10.1021/ja410425k","","","0.71073","MoKα","","0.3129","0.1667","","","0.2527","0.3118","","","","","","1.097","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121247","15.252","0.006","15.684","0.011","16.26","0.007","66.37","0.06","72.31","0.05","84.94","0.07","3392","4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H53 Cl6 F6 N5 O10 S2 Zn -","- C68 H53 Cl6 F6 N5 O10 S2 Zn -","- C136 H106 Cl12 F12 N10 O20 S4 Zn2 -","2","1","","Manik Lal Saha; Michael Schmittel","From 3-Fold Completive Self-Sorting of a Nine-Component Library to a Seven-Component Scalene Quadrilateral","Journal of the American Chemical Society","2013","135","","17743","17746","10.1021/ja410425k","","","0.71073","MoKα","","0.1778","0.1278","","","0.3878","0.4032","","","","","","1.255","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121248","14.2365","0.0016","17.8529","0.0019","24.947","0.003","100.054","0.005","97.316","0.005","97.856","0.006","6109.9","1.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C142 H202 N4 -","- C142 H202 N4 -","- C284 H404 N8 -","2","1","","Andrzej Rajca; Arnon Olankitwanit; Ying Wang; Przemysław J. Boratyński; Maren Pink; Suchada Rajca","High-Spin S=2 Ground State Aminyl Tetraradicals","Journal of the American Chemical Society","2013","135","","18205","18215","10.1021/ja409472f","","","0.71073","MoKα","","0.2186","0.0686","","","0.1458","0.1871","","","","","","0.848","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121249","12.01","0.0002","17.0683","0.0003","18.6762","0.0004","90","","104.484","0.0019","90","","3706.76","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H58 Fe N4 P2 -","- C37 H58 Fe N4 P2 -","- C148 H232 Fe4 N16 P8 -","4","1","","Burgert Blom; Gengwen Tan; Stephan Enthaler; Shigeyoshi Inoue; Jan Dirk Epping; Matthias Driess","Bis-N-Heterocyclic Carbene (NHC) Stabilized η6-Arene Iron(0) Complexes: Synthesis, Structure, Reactivity, and Catalytic Activity","Journal of the American Chemical Society","2013","135","","18108","18120","10.1021/ja410234x","","","1.54184","CuKα","","0.0768","0.0628","","","0.1643","0.1728","","","","","","1.597","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121250","15.2206","0.0001","10.757","0.0001","24.1245","0.0002","90","","101.148","0.001","90","","3875.33","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Fe N4 O -","- C42 H58 Fe N4 O -","- C168 H232 Fe4 N16 O4 -","4","1","","Burgert Blom; Gengwen Tan; Stephan Enthaler; Shigeyoshi Inoue; Jan Dirk Epping; Matthias Driess","Bis-N-Heterocyclic Carbene (NHC) Stabilized η6-Arene Iron(0) Complexes: Synthesis, Structure, Reactivity, and Catalytic Activity","Journal of the American Chemical Society","2013","135","","18108","18120","10.1021/ja410234x","","","1.54178","CuKα","","0.0464","0.0395","","","0.0968","0.1021","","","","","","1.052","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121251","25.8165","0.0004","15.5331","0.0002","7.8898","0.0001","90","","90","","90","","3163.89","0.08","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C37 H46 Fe N4 -","- C37 H46 Fe N4 -","- C148 H184 Fe4 N16 -","4","0.5","","Burgert Blom; Gengwen Tan; Stephan Enthaler; Shigeyoshi Inoue; Jan Dirk Epping; Matthias Driess","Bis-N-Heterocyclic Carbene (NHC) Stabilized η6-Arene Iron(0) Complexes: Synthesis, Structure, Reactivity, and Catalytic Activity","Journal of the American Chemical Society","2013","135","","18108","18120","10.1021/ja410234x","","","1.54178","CuKα","","0.0386","0.0366","","","0.0946","0.0994","","","","","","1.074","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121252","15.5797","0.0007","19.5366","0.0009","22.6289","0.0011","71.38","0.002","76.171","0.002","67.194","0.002","5964.3","0.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C151 H131 Cl9 -","- C151 H131 Cl9 -","- C302 H262 Cl18 -","2","1","","Zhe Sun; Sangsu Lee; Kyu Hyung Park; Xiaojian Zhu; Wenhua Zhang; Bin Zheng; Pan Hu; Zebing Zeng; Soumyajit Das; Yuan Li; Chunyan Chi; Run-Wei Li; Kuo-Wei Huang; Jun Ding; Dongho Kim; Jishan Wu","Dibenzoheptazethrene Isomers with Different Biradical Characters: An Exercise of Clar's Aromatic Sextet Rule in Singlet Biradicaloids","Journal of the American Chemical Society","2013","135","","18229","18236","10.1021/ja410279j","","","1.54178","CuKα","","0.1199","0.0996","","","0.2302","0.2454","","","","","","0.998","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121253","13.9671","0.0012","14.3263","0.0013","15.9903","0.0015","102.783","0.007","107.815","0.006","90.531","0.006","2960.5","0.5","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C76 H80 Si2 -","- C76 H80 Si2 -","- C152 H160 Si4 -","2","1","","Zhe Sun; Sangsu Lee; Kyu Hyung Park; Xiaojian Zhu; Wenhua Zhang; Bin Zheng; Pan Hu; Zebing Zeng; Soumyajit Das; Yuan Li; Chunyan Chi; Run-Wei Li; Kuo-Wei Huang; Jun Ding; Dongho Kim; Jishan Wu","Dibenzoheptazethrene Isomers with Different Biradical Characters: An Exercise of Clar's Aromatic Sextet Rule in Singlet Biradicaloids","Journal of the American Chemical Society","2013","135","","18229","18236","10.1021/ja410279j","","","1.54178","CuKα","","0.2226","0.1472","","","0.3233","0.3807","","","","","","1.007","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121254","13.5742","0.0015","6.4041","0.0007","8.1012","0.0009","90","","99.001","0.001","90","","695.57","0.13","100","2","100","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","[2,2-binaphthol-ligand]","","","- C10 H7 O -","- C10 H7 O -","- C40 H28 O4 -","4","1","","Keith W. Bentley; Yea G. Nam; Jaslynn M. Murphy; Christian Wolf","Chirality Sensing of Amines, Diamines, Amino Acids, Amino Alcohols, and α-Hydroxy Acids with a Single Probe","Journal of the American Chemical Society","2013","135","","18052","18055","10.1021/ja410428b","","","0.71073","MoKα","","0.0409","0.0382","","","0.118","0.1201","","","","","","1.082","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121255","12.5034","0.0016","14.2812","0.0018","16.244","0.002","85.326","0.002","78.118","0.002","78.408","0.002","2778.1","0.6","100","2","100","2","","","","","","","","5","P 1","P 1","1","[2,2-binaphthol]","","","- C70 H61 N4 O4.5 Zn2 -","- C70 H61 N4 O4.5 Zn2 -","- C140 H122 N8 O9 Zn4 -","2","2","","Keith W. Bentley; Yea G. Nam; Jaslynn M. Murphy; Christian Wolf","Chirality Sensing of Amines, Diamines, Amino Acids, Amino Alcohols, and α-Hydroxy Acids with a Single Probe","Journal of the American Chemical Society","2013","135","","18052","18055","10.1021/ja410428b","","","0.71073","MoKα","","0.102","0.069","","","0.1606","0.176","","","","","","1.028","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4121256","5.4328","0.00054","5.41122","0.00058","11.9143","0.0015","90","","107.696","0.0049","90","","333.69","0.07","16","","16","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","Lithium TCNE","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.700296","","","","","","","","","","0.019","1.45","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121257","5.43283","0.00045","5.40633","0.00065","11.91039","0.00084","90","","107.655","0.0046","90","","333.35","0.05","20","","20","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121258","5.43311","0.0005","5.40704","0.00062","11.91853","0.00083","90","","107.547","0.0044","90","","333.84","0.05","50","","50","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121259","5.429","0.00044","5.40499","0.00076","11.9282","0.001","90","","107.284","0.0065","90","","334.21","0.06","100","","100","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121260","5.42859","0.00053","5.40755","0.00057","11.94771","0.0007","90","","106.995","0.0064","90","","335.41","0.05","150","","150","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121261","5.42943","0.00033","5.41232","0.00088","11.9671","0.0018","90","","106.692","0.0041","90","","336.84","0.08","200","","200","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121262","5.42769","0.00052","5.41077","0.00057","11.9807","0.001","90","","106.379","0.0075","90","","337.57","0.06","250","","250","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121263","5.42719","0.00039","5.41329","0.00045","12.002","0.0011","90","","106.067","0.0041","90","","338.83","0.05","295","","295","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C6 Li N4 -","- C6 Li N4 -","- C12 Li2 N8 -","2","0.5","","Jae-Hyuk Her; Peter W. Stephens; Royce A. Davidson; Kil Sik Min; Joshua D. Bagnato; Kipp van Schooten; Christoph Boehme; Joel S. Miller","Weak Ferromagnetic Ordering of the Li+[TCNE].- (TCNE = Tetracyanoethylene) Organic Magnet with an Interpenetrating Diamondoid Structure","Journal of the American Chemical Society","2013","135","","18060","18063","10.1021/ja410818e","powder diffraction","","0.690779","","","","","","","","","","","","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121264","13.561","0.002","16.729","0.002","22.476","0.003","90","","96.641","0.003","90","","5064.7","1.2","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 Au2 F6 N O6 P2 S2 -","- C51 H43 Au2 F6 N O6 P2 S2 -","- C204 H172 Au8 F24 N4 O24 P8 S8 -","4","1","","Yu Tang; Jiakun Li; Yugen Zhu; Yao Li; Biao Yu","Mechanistic Insights into the Gold(I)-Catalyzed Activation of Glycosyl ortho-Alkynylbenzoates for Glycosidation","Journal of the American Chemical Society","2013","135","","18396","18405","10.1021/ja4064316","","","0.71073","MoKα","","0.1016","0.0828","","","0.1842","0.1977","","","","","","1.197","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121265","10.6349","0.0019","34.971","0.006","10.8056","0.0019","90","","102.586","0.002","90","","3922.2","1.2","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H40 F4 O14 Ru2 -","- C40 H40 F4 O14 Ru2 -","- C160 H160 F16 O56 Ru8 -","4","1","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","","","0.71075","MoKα","","","0.0718","","","","0.1531","","","","","","1.212","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121266","12.82","0.003","12.953","0.003","12.657","0.003","90","","92.4","0.004","90","","2099.9","0.9","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Cl4 O14 Ru2 -","- C40 H24 Cl4 O14 Ru2 -","- C80 H48 Cl8 O28 Ru4 -","2","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","","","0.71075","MoKα","","","0.06","","","","0.1566","","","","","","1.13","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121267","12.686","0.003","12.859","0.003","12.828","0.003","90","","92.226","0.008","90","","2091","0.8","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Cl4 O14 Rh2 -","- C40 H40 Cl4 O14 Rh2 -","- C80 H80 Cl8 O28 Rh4 -","2","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","","","0.7107","MoKα","","","0.0487","","","","0.1282","","","","","","1.077","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121268","9.697","0.002","12.025","0.003","12.608","0.003","87.81","0.03","77.56","0.02","83.71","0.02","1426.9","0.6","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Cl12 N2 O12 Ru2 -","- C48 H40 Cl12 N2 O12 Ru2 -","- C48 H40 Cl12 N2 O12 Ru2 -","1","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","","","0.7107","MoKα","","","0.0704","","","","0.1829","","","","","","1.086","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121269","9.6402","0.0011","12.0011","0.0016","12.5432","0.0016","87.884","0.005","77.956","0.004","83.753","0.005","1410.6","0.3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Cl12 N2 O12 Rh2 -","- C48 H40 Cl12 N2 O12 Rh2 -","- C48 H40 Cl12 N2 O12 Rh2 -","1","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","","","0.71075","MoKα","","","0.0631","","","","0.1766","","","","","","1.092","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121270","9.8692","0.0004","11.0682","0.0003","10.7563","0.0004","79.836","0.004","106.536","0.005","86.339","0.005","1100.55","0.08","100","1","100","1","","","","","","","","6","P -1","-P 1","2","[Ru2(4-Cl-2-OMe-PhCO2)4(phz)]","","","- C44 H32 Cl4 N2 O12 Ru2 -","- C44 H32 Cl4 N2 O12 Ru2 -","- C44 H32 Cl4 N2 O12 Ru2 -","1","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","powder diffraction","","0.79909","synchrotron","","0.0186","","","","","","0.01815","0.04114","4.6158","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121271","9.793","0.0004","11.1753","0.0004","10.6362","0.0005","81.178","0.005","106.289","0.006","85.825","0.006","1095.82","0.09","100","1","100","1","","","","","","","","6","P -1","-P 1","2","[Rh2(4-Cl-2-OMe-PhCO2)4(phz)]","","","- C44 H32 Cl4 N2 O12 Rh2 -","- C44 H32 Cl4 N2 O12 Rh2 -","- C44 H32 Cl4 N2 O12 Rh2 -","1","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","powder diffraction","","0.79873","synchrotron","","0.00915","","","","","","0.00918","0.01869","7.2767","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121272","9.7304","0.0003","11.9815","0.0003","10.6288","0.0004","85.399","0.004","101.235","0.006","83.334","0.004","1200.45","0.07","195","1","195","1","","","","","","","","6","P -1","-P 1","2","[Ru2(4-Cl-2-OMe-PhCO2)4(phz)]2(CO2)","","","- C46 H32 Cl4 N2 O16 Ru2 -","- C46 H32 Cl4 N2 O16 Ru2 -","- C46 H32 Cl4 N2 O16 Ru2 -","1","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","powder diffraction","","0.79933","synchrotron","","0.00608","","","","","","0.00608","0.01618","6.9158","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121273","9.7255","0.0003","12.0456","0.0003","10.5596","0.0003","86.501","0.003","101.224","0.005","83.605","0.004","1201.49","0.06","121","1","121","1","","","","","","","","6","P -1","-P 1","2","[Ru2(4-Cl-2-OMe-PhCO2)4(phz)] 4(NO)","","","- C44 H32 Cl4 N6 O16 Ru2 -","- C44 H32 Cl4 N6 O16 Ru2 -","- C44 H32 Cl4 N6 O16 Ru2 -","1","0.5","","Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka","Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers","Journal of the American Chemical Society","2013","135","","18469","18480","10.1021/ja4076056","powder diffraction","","0.79873","synchrotron","","0.00541","","","","","","0.0054","0.0154","5.2782","","","","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121274","16.4396","0.0003","17.2702","0.0003","23.2971","0.0005","90","","90","","90","","6614.4","0.2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H32 B F10 O P -","- C38 H32 B F10 O P -","- C304 H256 B8 F80 O8 P8 -","8","1","","Muhammad Sajid; Arunlibertsen Lawzer; Weishi Dong; Christoph Rosorius; Wolfram Sander; Birgitta Schirmer; Stefan Grimme; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Carbonylation Reactions of Intramolecular Vicinal Frustrated Phosphane/Borane Lewis Pairs","Journal of the American Chemical Society","2013","135","","18567","18574","10.1021/ja408815k","","","1.54178","CuKα","","0.0418","0.0378","","","0.0947","0.0974","","","","","","1.031","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121275","22.319","0.0007","14.9283","0.0005","20.15","0.001","90","","115.062","0.005","90","","6081.6","0.5","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H26 B F10 O P -","- C33 H26 B F10 O P -","- C264 H208 B8 F80 O8 P8 -","8","1","","Muhammad Sajid; Arunlibertsen Lawzer; Weishi Dong; Christoph Rosorius; Wolfram Sander; Birgitta Schirmer; Stefan Grimme; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Carbonylation Reactions of Intramolecular Vicinal Frustrated Phosphane/Borane Lewis Pairs","Journal of the American Chemical Society","2013","135","","18567","18574","10.1021/ja408815k","","","1.54178","CuKα","","0.0449","0.0412","","","0.1094","0.1125","","","","","","1.061","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121276","9.8246","0.0015","9.8488","0.0015","18.657","0.003","82.967","0.002","84.686","0.002","64.474","0.002","1615.2","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H68 Cl3 Cu2 N2 Na7 O34 S12 -","- C30 H68 Cl3 Cu2 N2 Na7 O34 S12 -","- C30 H68 Cl3 Cu2 N2 Na7 O34 S12 -","1","0.5","","Pritha Bagchi; M. Thomas Morgan; John Bacsa; Christoph J. Fahrni","Robust Affinity Standards for Cu(I) Biochemistry","Journal of the American Chemical Society","2013","135","","18549","18559","10.1021/ja408827d","","","0.71073","MoKα","","0.0474","0.039","","","0.1038","0.1098","","","","","","1.029","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121277","11.8551","0.0017","11.9311","0.0017","32.214","0.005","91.273","0.002","98.023","0.002","119.384","0.002","3909.7","1","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C18 H51 Cu F6 N Na3 O16.5 P S6 -","- C18 H51 Cu F6 N Na3 O16.5 P S6 -","- C72 H204 Cu4 F24 N4 Na12 O66 P4 S24 -","4","2","","Pritha Bagchi; M. Thomas Morgan; John Bacsa; Christoph J. Fahrni","Robust Affinity Standards for Cu(I) Biochemistry","Journal of the American Chemical Society","2013","135","","18549","18559","10.1021/ja408827d","","","0.71073","MoKα","","0.0631","0.0484","","","0.1243","0.134","","","","","","1.022","","","","has coordinates,has disorder","286259","2023-09-07","06:04:45",""
"4121278","13.4862","0.0005","13.6947","0.0004","15.8096","0.0005","71.571","0.001","77.676","0.001","78.885","0.001","2681.44","0.15","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H38 Cu F6 O5 P S4 -","- C18 H38 Cu F6 O5 P S4 -","- C72 H152 Cu4 F24 O20 P4 S16 -","4","2","","Pritha Bagchi; M. Thomas Morgan; John Bacsa; Christoph J. Fahrni","Robust Affinity Standards for Cu(I) Biochemistry","Journal of the American Chemical Society","2013","135","","18549","18559","10.1021/ja408827d","","","0.71073","MoKα","","0.0454","0.0374","","","0.0959","0.1019","","","","","","1.022","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121279","9.5948","0.0009","9.6412","0.0009","12.1268","0.0012","100.741","0.002","107.201","0.001","97.413","0.002","1032.38","0.17","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H32 O4 S4 -","- C16 H32 O4 S4 -","- C32 H64 O8 S8 -","2","1","","Pritha Bagchi; M. Thomas Morgan; John Bacsa; Christoph J. Fahrni","Robust Affinity Standards for Cu(I) Biochemistry","Journal of the American Chemical Society","2013","135","","18549","18559","10.1021/ja408827d","","","0.71073","MoKα","","0.102","0.0944","","","0.2297","0.2354","","","","","","1.059","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121280","5.3888","0.0008","5.3888","0.0008","5.1071","0.0014","90","","90","","120","","128.44","0.04","293","2","293","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C Cs F O3 Pb -","- C Cs F O3 Pb -","- C Cs F O3 Pb -","1","0.0833333","","Guohong Zou; Ling Huang; Ning Ye; Chensheng Lin; Wendan Cheng; Hui Huang","CsPbCO3F: A Strong Second-Harmonic Generation Material Derived from Enhancement via p-π Interaction","Journal of the American Chemical Society","2013","135","","18560","18566","10.1021/ja408982d","","","0.71073","MoKα","","0.027","0.027","","","0.0547","0.0547","","","","","","1.057","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121281","33.2055","0.0011","64.785","0.002","32.7759","0.0011","90","","90","","90","","70508","4","299","2","299","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","Au23(SR)16","","","- C128 H244 Au23 N S16 -","- C114 H176 Au23 N S16 -","- C1824 H2816 Au368 N16 S256 -","16","1","","Anindita Das; Tao Li; Katsuyuki Nobusada; Chenjie Zeng; Nathaniel L. Rosi; Rongchao Jin","Nonsuperatomic [Au23(SC6H11)16]- Nanocluster Featuring Bipyramidal Au15 Kernel and Trimeric Au3(SR)4 Motif","Journal of the American Chemical Society","2013","135","","18264","18267","10.1021/ja409177s","","","1.54178","CuKα","","0.1462","0.0721","","","0.1798","0.2244","","","","","","1.053","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121282","15.3011","0.0017","19.814","0.002","30.622","0.003","73.074","0.004","89.875","0.004","86.771","0.004","8866.6","1.6","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H76 Cl19.25 N4 O11.75 P -","- C75 H76 Cl19.25 N4 O11.75 P -","- C300 H304 Cl77 N16 O47 P4 -","4","2","","Bastien Chatelet; Heinz Gornitzka; Véronique Dufaud; Erwann Jeanneau; Jean-Pierre Dutasta; Alexandre Martinez","Superbases in Confined Space: Control of the Basicity and Reactivity of the Proton Transfer","Journal of the American Chemical Society","2013","135","","18659","18664","10.1021/ja409444s","","","0.71073","MoKα","","0.2236","0.1446","","","0.3008","0.3392","","","","","","1.115","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4121283","14.554","0.008","19.781","0.011","21.193","0.013","90","","109.237","0.01","90","","5761","6","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63.5 H76.5 N7 O9 P1.5 -","- C63.5 H76.5 N7 O9 P1.5 -","- C254 H306 N28 O36 P6 -","4","1","","Bastien Chatelet; Heinz Gornitzka; Véronique Dufaud; Erwann Jeanneau; Jean-Pierre Dutasta; Alexandre Martinez","Superbases in Confined Space: Control of the Basicity and Reactivity of the Proton Transfer","Journal of the American Chemical Society","2013","135","","18659","18664","10.1021/ja409444s","","","0.71073","MoKα","","0.0792","0.0514","","","0.1121","0.1267","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121284","9.7981","0.0007","10.3144","0.0007","15.3068","0.0008","83.5","0.005","78.831","0.005","83.766","0.005","1501.9","0.17","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H42 Cl N4 O4 P -","- C30 H42 Cl N4 O4 P -","- C60 H84 Cl2 N8 O8 P2 -","2","1","","Bastien Chatelet; Heinz Gornitzka; Véronique Dufaud; Erwann Jeanneau; Jean-Pierre Dutasta; Alexandre Martinez","Superbases in Confined Space: Control of the Basicity and Reactivity of the Proton Transfer","Journal of the American Chemical Society","2013","135","","18659","18664","10.1021/ja409444s","","","1.5418","CuKα","","0.0419","0.0383","","0.0767","0.0723","0.0767","","","","","","0.9512","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121285","20.346","0.002","15.4644","0.0016","23.164","0.002","90","","90","","90","","7288.3","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H55 N2 Ni Si2 -","- C34 H55 N2 Ni Si2 -","- C272 H440 N16 Ni8 Si16 -","8","1","","Carl A. Laskowski; Donald J. Bungum; Steven M. Baldwin; Sarah A. Del Ciello; Vlad M. Iluc; Gregory L. Hillhouse","Synthesis and Reactivity of Two-Coordinate Ni(I) Alkyl and Aryl Complexes","Journal of the American Chemical Society","2013","135","","18272","18275","10.1021/ja4095236","","","0.71073","MoKα","","0.0525","0.043","","","0.1126","0.1168","","","","","","1.021","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121286","11.5681","0.0012","14.016","0.0015","29.664","0.003","90","","99.368","0.002","90","","4745.5","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H69 N2 Ni -","- C58 H69 N2 Ni -","- C232 H276 N8 Ni4 -","4","1","","Carl A. Laskowski; Donald J. Bungum; Steven M. Baldwin; Sarah A. Del Ciello; Vlad M. Iluc; Gregory L. Hillhouse","Synthesis and Reactivity of Two-Coordinate Ni(I) Alkyl and Aryl Complexes","Journal of the American Chemical Society","2013","135","","18272","18275","10.1021/ja4095236","","","0.71073","MoKα","","0.052","0.0435","","","0.1107","0.1142","","","","","","1.053","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121287","11.3465","0.0015","12.2307","0.0016","16.209","0.002","83.632","0.002","89.161","0.002","67.459","0.002","2063.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H64 N3 Ni Si2 -","- C39 H64 N3 Ni Si2 -","- C78 H128 N6 Ni2 Si4 -","2","1","","Carl A. Laskowski; Donald J. Bungum; Steven M. Baldwin; Sarah A. Del Ciello; Vlad M. Iluc; Gregory L. Hillhouse","Synthesis and Reactivity of Two-Coordinate Ni(I) Alkyl and Aryl Complexes","Journal of the American Chemical Society","2013","135","","18272","18275","10.1021/ja4095236","","","0.71073","MoKα","","0.0561","0.0477","","","0.1144","0.1182","","","","","","0.976","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121288","12.369","0.003","16.924","0.003","18.452","0.004","90","","108.08","0.03","90","","3671.9","1.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H58 Br N2 Ni Si2 -","- C37 H58 Br N2 Ni Si2 -","- C148 H232 Br4 N8 Ni4 Si8 -","4","1","","Carl A. Laskowski; Donald J. Bungum; Steven M. Baldwin; Sarah A. Del Ciello; Vlad M. Iluc; Gregory L. Hillhouse","Synthesis and Reactivity of Two-Coordinate Ni(I) Alkyl and Aryl Complexes","Journal of the American Chemical Society","2013","135","","18272","18275","10.1021/ja4095236","","","0.71073","MoKα","","0.1833","0.1001","","","0.1731","0.2028","","","","","","1.021","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121289","18.1986","0.0019","11.586","0.0012","24.841","0.003","90","","104.445","0.002","90","","5072.1","1","185","2","185","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H52 Br2 Mn3 N9 O12 S2 -","- C31 H52 Br2 Mn3 N9 O12 S2 -","- C124 H208 Br8 Mn12 N36 O48 S8 -","4","1","","Gang Wu; Jiaquan Bai; Yuan Jiang; Guanghua Li; Jian Huang; Yi Li; Christopher E. Anson; Annie K. Powell; Shilun Qiu","Rolling Up the Sheet: Constructing Metal-Organic Lamellae and Nanotubes from a [{Mn3(propanediolato)2}(dicyanamide)2]n Honeycomb Skeleton","Journal of the American Chemical Society","2013","135","","18276","18279","10.1021/ja409569q","","","0.71073","MoKα","","0.1146","0.0665","","","0.1737","0.1963","","","","","","1.032","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121290","18.4963","0.0011","11.5794","0.0007","24.7985","0.0014","90","","105.254","0.001","90","","5124.1","0.5","185","2","185","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 Br2 Mn3 N9 O12 S2 -","- C32 H54 Br2 Mn3 N9 O12 S2 -","- C128 H216 Br8 Mn12 N36 O48 S8 -","4","1","","Gang Wu; Jiaquan Bai; Yuan Jiang; Guanghua Li; Jian Huang; Yi Li; Christopher E. Anson; Annie K. Powell; Shilun Qiu","Rolling Up the Sheet: Constructing Metal-Organic Lamellae and Nanotubes from a [{Mn3(propanediolato)2}(dicyanamide)2]n Honeycomb Skeleton","Journal of the American Chemical Society","2013","135","","18276","18279","10.1021/ja409569q","","","0.71073","MoKα","","0.0869","0.052","","","0.14","0.1586","","","","","","1.032","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121291","18.5895","0.001","11.6162","0.0006","24.8024","0.0013","90","","105.457","0.001","90","","5162.1","0.5","185","2","185","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H56 Br2 Mn3 N9 O12 S2 -","- C33 H56 Br2 Mn3 N9 O12 S2 -","- C132 H224 Br8 Mn12 N36 O48 S8 -","4","1","","Gang Wu; Jiaquan Bai; Yuan Jiang; Guanghua Li; Jian Huang; Yi Li; Christopher E. Anson; Annie K. Powell; Shilun Qiu","Rolling Up the Sheet: Constructing Metal-Organic Lamellae and Nanotubes from a [{Mn3(propanediolato)2}(dicyanamide)2]n Honeycomb Skeleton","Journal of the American Chemical Society","2013","135","","18276","18279","10.1021/ja409569q","","","0.71073","MoKα","","0.1308","0.0694","","","0.1981","0.2333","","","","","","1.032","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121292","28.1886","0.0003","28.1886","0.0003","26.1977","0.0006","90","","90","","90","","20816.6","0.6","185","2","185","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C34 H60 Br2 Mn3 N9 O13 S2 -","- C31.75 H52.1 Br2 Mn3 N8.75 O12.1 S2 -","- C508 H833.6 Br32 Mn48 N140 O193.6 S32 -","16","","","Gang Wu; Jiaquan Bai; Yuan Jiang; Guanghua Li; Jian Huang; Yi Li; Christopher E. Anson; Annie K. Powell; Shilun Qiu","Rolling Up the Sheet: Constructing Metal-Organic Lamellae and Nanotubes from a [{Mn3(propanediolato)2}(dicyanamide)2]n Honeycomb Skeleton","Journal of the American Chemical Society","2013","135","","18276","18279","10.1021/ja409569q","","","0.71073","MoKα","","0.1271","0.0596","","","0.1416","0.1635","","","","","","0.95","","","","has coordinates,has disorder","179014","2020-10-21","18:00:00",""
"4121293","9.1348","0.0016","10.404","0.002","13.375","0.003","103.609","0.017","94.386","0.016","108.491","0.017","1155.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 N O Si -","- C24 H31 N O Si -","- C48 H62 N2 O2 Si2 -","2","1","","Rong Zeng; Shangze Wu; Chunling Fu; Shengming Ma","Room-Temperature Synthesis of Trisubstituted Allenylsilanes via Regioselective C-H Functionalization","Journal of the American Chemical Society","2013","135","","18284","18287","10.1021/ja409861s","","","0.71073","MoKα","","0.1562","0.0934","","","0.2574","0.3161","","","","","","1.052","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121294","13.45","0.02","9.9","0.017","12.67","0.02","90","","114.3","0.03","90","","1538","4","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","161-1-B","","","- C20 H21 O2 -","- C20 H21 O2 -","- C80 H84 O8 -","4","1","","Filip R. Petronijević; Manuel Nappi; David W. C. MacMillan","Direct β-Functionalization of Cyclic Ketones with Aryl Ketones via the Merger of Photoredox and Organocatalysis","Journal of the American Chemical Society","2013","135","","18323","18326","10.1021/ja410478a","","","0.71073","","","0.0589","0.053","","","0.1564","0.1633","","","","","","1.037","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121295","9.318","0.003","16.115","0.006","10.684","0.004","90","","99.129","0.005","90","","1584","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","152-2","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Filip R. Petronijević; Manuel Nappi; David W. C. MacMillan","Direct β-Functionalization of Cyclic Ketones with Aryl Ketones via the Merger of Photoredox and Organocatalysis","Journal of the American Chemical Society","2013","135","","18323","18326","10.1021/ja410478a","","","1.54178","","","0.0367","0.0362","","","0.0865","0.0868","","","","","","1.052","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121296","17.1712","0.0004","14.6439","0.0003","8.7281","0.0001","90","","90","","90","","2194.71","0.07","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H40 N2 Si2 -","- C19 H40 N2 Si2 -","- C76 H160 N8 Si8 -","4","1","","Shigeyoshi Inoue; Carsten Eisenhut","A Dihydrodisilene Transition Metal Complex from an N-Heterocyclic Carbene-Stabilized Silylene Monohydride","Journal of the American Chemical Society","2013","135","","18315","18318","10.1021/ja410528y","","","1.54184","CuKα","","0.0449","0.0414","","","0.1109","0.1141","","","","","","1.051","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121297","12.5259","0.0003","23.4672","0.0007","31.3977","0.0009","90","","90","","90","","9229.3","0.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H80 N4 Ni Si4 -","- C38 H80 N4 Ni Si4 -","- C304 H640 N32 Ni8 Si32 -","8","1","","Shigeyoshi Inoue; Carsten Eisenhut","A Dihydrodisilene Transition Metal Complex from an N-Heterocyclic Carbene-Stabilized Silylene Monohydride","Journal of the American Chemical Society","2013","135","","18315","18318","10.1021/ja410528y","","","1.54184","CuKα","","0.0396","0.032","","","0.0797","0.0849","","","","","","1.021","","","","has coordinates","179014","2020-10-21","18:00:00",""
"4121298","8.8444","0.0016","15.2496","0.0024","12.7402","0.0023","89.935","0.019","110.35","0.003","89.9883","0.0026","1611.1","0.5","153.15","","153.15","","","","","","","","","4","P 1","P 1","1","","","","- B4 Be4 Na2 O11 -","- B4 Be4 Na2 O11 -","- B32 Be32 Na16 O88 -","8","8","","Hongwei Huang; Lijuan Liu; Shifeng Jin; Wenjiao Yao; Yihe Zhang; Chuangtian Chen","Deep-Ultraviolet Nonlinear Optical Materials: Na2Be4B4O11 and LiNa5Be12B12O33","Journal of the American Chemical Society","2013","135","","18319","18322","10.1021/ja410543w","","x-ray","0.71069","MoKα","","0.0406","0.0349","","","0.0408","0.043","","","","1.18","1.18","1.14","","","","has coordinates","286259","2023-09-07","06:04:45",""
"4121299","8.8552","0.0015","22.8039","0.0037","12.669","0.00022","90","","110.323","0.0016","90","","2399","0.6","143.15","0.02","143.15","0.02","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- B12 Be12 Li Na5 O33 -","- B12 Be12 Li Na5 O33 -","- B48 Be48 Li4 Na20 O132 -","4","2","","Hongwei Huang; Lijuan Liu; Shifeng Jin; Wenjiao Yao; Yihe Zhang; Chuangtian Chen","Deep-Ultraviolet Nonlinear Optical Materials: Na2Be4B4O11 and LiNa5Be12B12O33","Journal of the American Chemical Society","2013","135","","18319","18322","10.1021/ja410543w","","x-ray","0.71069","MoKα","","0.0557","0.0459","","","0.0481","0.0528","","","","1.2","1.2","1.19","","","","has coordinates","286259","2023-09-07","06:04:45",""
"4121300","28.882","0.003","7.1096","0.0006","8.0556","0.0007","90","","90","","90","","1654.1","0.3","130","2","130","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H20 S2 Si -","- C17 H20 S2 Si -","- C68 H80 S8 Si4 -","4","1","","Timothy A. Su; Jonathan R. Widawsky; Haixing Li; Rebekka S. Klausen; James L. Leighton; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls","Silicon Ring Strain Creates High-Conductance Pathways in Single-Molecule Circuits","Journal of the American Chemical Society","2013","135","","18331","18334","10.1021/ja410656a","","","0.71073","MoKα","","0.0514","0.0408","","","0.0873","0.0913","","","","","","1.06","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121301","19.61","0.003","18.285","0.002","9.2215","0.0012","90","","90","","90","","3306.5","0.8","130","2","130","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C33 H46 N4 Si3 -","- C33 H46 N4 Si3 -","- C132 H184 N16 Si12 -","4","0.5","","Timothy A. Su; Jonathan R. Widawsky; Haixing Li; Rebekka S. Klausen; James L. Leighton; Michael L. Steigerwald; Latha Venkataraman; Colin Nuckolls","Silicon Ring Strain Creates High-Conductance Pathways in Single-Molecule Circuits","Journal of the American Chemical Society","2013","135","","18331","18334","10.1021/ja410656a","","","0.71073","MoKα","","0.1528","0.0655","","","0.163","0.2008","","","","","","1","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121302","6.6143","0.0006","16.613","0.0015","20.6633","0.0019","90","","90","","90","","2270.6","0.4","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 F6 N2 O2 P Ru S -","- C19 H23 F6 N2 O2 P Ru S -","- C76 H92 F24 N8 O8 P4 Ru4 S4 -","4","1","","Barry M. Trost; Meera Rao; André P. Dieskau","A Chiral Sulfoxide-Ligated Ruthenium Complex for Asymmetric Catalysis: Enantio- and Regioselective Allylic Substitution","Journal of the American Chemical Society","2013","135","","18697","18704","10.1021/ja411310w","","","0.71073","MoKα","","0.0281","0.0258","","","0.0571","0.0592","","","","","","1.066","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121303","8.5304","0.0003","9.1085","0.0003","11.5135","0.0004","106.495","0.001","93.149","0.001","102.968","0.001","829.13","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Co2 F4 P2 -","- C38 H36 Co2 F4 P2 -","- C38 H36 Co2 F4 P2 -","1","0.5","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0283","0.0244","","","0.0658","0.0683","","","","","","1.048","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121304","15.5609","0.0008","15.4738","0.0008","8.185","0.0004","90","","108.102","0.004","90","","1873.29","0.17","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H18 Co F4 P -","- C20 H18 Co F4 P -","- C80 H72 Co4 F16 P4 -","4","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0595","0.0502","","","0.1285","0.1349","","","","","","1.015","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121305","10.1591","0.0005","11.2991","0.0005","16.6717","0.0007","90","","90","","90","","1913.72","0.15","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Co F6 P -","- C21 H18 Co F6 P -","- C84 H72 Co4 F24 P4 -","4","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0633","0.0532","","","0.1266","0.1324","","","","","","1.068","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121306","11.8486","0.0002","11.8713","0.0002","13.5919","0.0002","97.185","0.001","95.637","0.001","118.436","0.001","1640.45","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H34 Co F8 P -","- C36 H34 Co F8 P -","- C72 H68 Co2 F16 P2 -","2","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0512","0.0423","","","0.1147","0.123","","","","","","1.016","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121307","8.7352","0.0005","9.6582","0.0005","13.2094","0.0007","101.287","0.003","100.155","0.003","102.663","0.003","1037.93","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 Br Co F5 P -","- C21 H15 Br Co F5 P -","- C42 H30 Br2 Co2 F10 P2 -","2","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.1053","0.0667","","","0.1428","0.1639","","","","","","1.055","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121308","29.308","0.002","10.9928","0.0008","19.2936","0.0013","90","","112.929","0.002","90","","5724.8","0.7","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 Co F10 N O3 P S -","- C25 H21 Co F10 N O3 P S -","- C200 H168 Co8 F80 N8 O24 P8 S8 -","8","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0868","0.0505","","","0.1194","0.1371","","","","","","1.019","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121309","14.3265","0.0006","14.3265","0.0006","28.3752","0.0015","90","","90","","90","","5824","0.5","200","2","200","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C22 H28 Co2 F12 O6 P2 -","- C22 H28 Co2 F12 O6 P2 -","- C176 H224 Co16 F96 O48 P16 -","8","1","","Daniel J. Harrison; Graham M. Lee; Matthew C. Leclerc; Ilia Korobkov; R. Tom Baker","Cobalt Fluorocarbenes: Cycloaddition Reactions with Tetrafluoroethylene and Reactivity of the Perfluorometallacyclic Products","Journal of the American Chemical Society","2013","135","","18296","18299","10.1021/ja411503c","","","0.71073","MoKα","","0.0277","0.0251","","","0.0674","0.0697","","","","","","0.853","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121310","14.2716","0.0011","31.714","0.002","8.8844","0.0007","90","","90","","90","","4021.2","0.5","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C19 H17 F N3 O S3 Zn -","- C19 H17 F N3 O S3 Zn -","- C152 H136 F8 N24 O8 S24 Zn8 -","8","1","","Wesley Sattler; Serge Ruccolo; Gerard Parkin","Synthesis, Structure, and Reactivity of a Terminal Organozinc Fluoride Compound: Hydrogen Bonding, Halogen Bonding, and Donor-Acceptor Interactions","Journal of the American Chemical Society","2013","135","","18714","18717","10.1021/ja408733f","","","0.71073","MoKα","","0.04","0.0291","","","0.0683","0.0727","","","","","","1.041","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121311","14.3162","0.0009","13.2855","0.0008","9.0351","0.0006","90","","90","","90","","1718.46","0.19","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 F N3 S3 Zn -","- C16 H12 F N3 S3 Zn -","- C64 H48 F4 N12 S12 Zn4 -","4","0.5","","Wesley Sattler; Serge Ruccolo; Gerard Parkin","Synthesis, Structure, and Reactivity of a Terminal Organozinc Fluoride Compound: Hydrogen Bonding, Halogen Bonding, and Donor-Acceptor Interactions","Journal of the American Chemical Society","2013","135","","18714","18717","10.1021/ja408733f","","","0.71073","MoKα","","0.0284","0.023","","","0.0602","0.0623","","","","","","1.056","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121312","13.735","0.002","13.735","0.002","11.4476","0.0017","90","","90","","120","","1870.3","0.5","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C37 H15 B F16 N3 S3 Zn -","- C37.06 H15.06 B F16 N3 S3 Zn -","- C74.12 H30.12 B2 F32 N6 S6 Zn2 -","2","0.333333","","Wesley Sattler; Serge Ruccolo; Gerard Parkin","Synthesis, Structure, and Reactivity of a Terminal Organozinc Fluoride Compound: Hydrogen Bonding, Halogen Bonding, and Donor-Acceptor Interactions","Journal of the American Chemical Society","2013","135","","18714","18717","10.1021/ja408733f","","","0.71073","MoKα","","0.1362","0.0399","","","0.0698","0.1015","","","","","","1.12","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121313","18.93","0.011","31.767","0.019","44.19","0.03","90","","90","","90","","26574","3","213","2","213","2","","","","","","","","6","F 2 2 2","F 2 2","22","","","","- C76 H90 Cl2 Co2 N8 O4 -","- C76 H90 Cl2 Co2 N8 O4 -","- C608 H720 Cl16 Co16 N64 O32 -","8","0.5","","Syud M. Ahmed; Albert Poater; M. Ian Childers; Peter C. B. Widger; Anne M. LaPointe; Emil B. Lobkovsky; Geoffrey W. Coates; Luigi Cavallo","Enantioselective Polymerization of Epoxides Using Biaryl-Linked Bimetallic Cobalt Catalysts: A Mechanistic Study","Journal of the American Chemical Society","2013","135","","18901","18911","10.1021/ja409521z","","","0.71073","MoKα","","0.0842","0.0655","","","0.1556","0.1645","","","","","","0.994","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121314","11.2391","0.0005","26.7837","0.0014","35.8843","0.0017","90","","90","","90","","10802.1","0.9","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C104 H114 Cl2 Co2 N12 O4 -","- C104 H114 Cl2 Co2 N12 O4 -","- C416 H456 Cl8 Co8 N48 O16 -","4","1","","Syud M. Ahmed; Albert Poater; M. Ian Childers; Peter C. B. Widger; Anne M. LaPointe; Emil B. Lobkovsky; Geoffrey W. Coates; Luigi Cavallo","Enantioselective Polymerization of Epoxides Using Biaryl-Linked Bimetallic Cobalt Catalysts: A Mechanistic Study","Journal of the American Chemical Society","2013","135","","18901","18911","10.1021/ja409521z","","","0.71073","MoKα","","0.0854","0.0559","","","0.127","0.1386","","","","","","0.98","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121315","12.87","0.03","18.89","0.04","19.99","0.03","90","","89.94","0.04","90","","4860","17","243.15","","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H67 Ir Li O4 P -","- C50 H67 Ir Li O4 P -","- C200 H268 Ir4 Li4 O16 P4 -","4","1","","Shuhei Kusumoto; Midori Akiyama; Kyoko Nozaki","Acceptorless Dehydrogenation of C-C Single Bonds Adjacent to Functional Groups by Metal-Ligand Cooperation","Journal of the American Chemical Society","2013","135","","18726","18729","10.1021/ja409672w","","","0.71075","MoKα","","0.1097","0.0612","","","0.1502","0.1828","","","","","","1.059","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121316","31.051","0.007","12.151","0.002","24.288","0.005","90","","119.334","0.005","90","","7989","3","93.15","","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H60 Ir O3 P -","- C46 H60 Ir O3 P -","- C368 H480 Ir8 O24 P8 -","8","1","","Shuhei Kusumoto; Midori Akiyama; Kyoko Nozaki","Acceptorless Dehydrogenation of C-C Single Bonds Adjacent to Functional Groups by Metal-Ligand Cooperation","Journal of the American Chemical Society","2013","135","","18726","18729","10.1021/ja409672w","","","0.71075","MoKα","","0.094","0.077","","","0.1204","0.1282","","","","","","1.17","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121317","11.6456","0.0017","34.888","0.005","16.163","0.002","90","","90.683","0.002","90","","6566.4","1.6","243","","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H88 Ir2 O2 P2 -","- C76 H88 Ir2 O2 P2 -","- C304 H352 Ir8 O8 P8 -","4","1","","Shuhei Kusumoto; Midori Akiyama; Kyoko Nozaki","Acceptorless Dehydrogenation of C-C Single Bonds Adjacent to Functional Groups by Metal-Ligand Cooperation","Journal of the American Chemical Society","2013","135","","18726","18729","10.1021/ja409672w","","","0.71075","MoKα","","0.0698","0.0494","","","0.0759","0.0826","","","","","","1.088","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121318","11.3447","0.0019","20.405","0.003","16.752","0.003","90","","102.731","0.002","90","","3782.6","1.1","93","","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Ir O P Si -","- C41 H52 Ir O P Si -","- C164 H208 Ir4 O4 P4 Si4 -","4","1","","Shuhei Kusumoto; Midori Akiyama; Kyoko Nozaki","Acceptorless Dehydrogenation of C-C Single Bonds Adjacent to Functional Groups by Metal-Ligand Cooperation","Journal of the American Chemical Society","2013","135","","18726","18729","10.1021/ja409672w","","","0.71075","MoKα","","0.0357","0.0302","","","0.0684","0.0729","","","","","","0.79","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121319","11.431","0.003","20.525","0.006","16.928","0.005","90","","102.912","0.004","90","","3871.2","1.9","243","","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H52 Ir O P Si -","- C41 H52 Ir O P Si -","- C164 H208 Ir4 O4 P4 Si4 -","4","1","","Shuhei Kusumoto; Midori Akiyama; Kyoko Nozaki","Acceptorless Dehydrogenation of C-C Single Bonds Adjacent to Functional Groups by Metal-Ligand Cooperation","Journal of the American Chemical Society","2013","135","","18726","18729","10.1021/ja409672w","","","0.71075","MoKα","","0.0787","0.0649","","","0.1346","0.1413","","","","","","1.241","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121320","10.879","0.002","14.752","0.003","13.038","0.002","90","","107.943","0.002","90","","1990.7","0.6","93","","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H38 Ir P -","- C19 H38 Ir P -","- C76 H152 Ir4 P4 -","4","1","","Shuhei Kusumoto; Midori Akiyama; Kyoko Nozaki","Acceptorless Dehydrogenation of C-C Single Bonds Adjacent to Functional Groups by Metal-Ligand Cooperation","Journal of the American Chemical Society","2013","135","","18726","18729","10.1021/ja409672w","","","0.71075","MoKα","","0.0243","0.0231","","","0.0553","0.0561","","","","","","1.087","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121321","16.7125","0.0002","13.9033","0.0002","18.0625","0.0002","90","","94.303","0.001","90","","4185.15","0.09","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H46 Co4 N4 O17 -","- C32 H44 Co4 N4 O17 -","- C128 H176 Co16 N16 O68 -","4","1","","Fabio Evangelisti; Robin Güttinger; René Moré; Sandra Luber; Greta R. Patzke","Closer to Photosystem II: A Co4O4 Cubane Catalyst with Flexible Ligand Architecture","Journal of the American Chemical Society","2013","135","","18734","18737","10.1021/ja4098302","","","1.5418","CuKα","","0.0567","0.0415","","","0.1085","0.1154","","","","","","1.031","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121322","8.7189","0.0008","10.0982","0.0009","27.516","0.003","90","","90","","90","","2422.7","0.4","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 B10 Si -","- C19 H36 B10 Si -","- C76 H144 B40 Si4 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.0444","0.0404","","","0.1086","0.1117","","","","","","1.033","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121323","14.346","0.002","10.9147","0.0017","17.845","0.003","90","","113.472","0.003","90","","2563","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 B10 Si -","- C20 H38 B10 Si -","- C80 H152 B40 Si4 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.1347","0.0783","","","0.1999","0.241","","","","","","1.031","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121324","30.987","0.004","7.1481","0.0009","24.505","0.003","90","","98.023","0.003","90","","5374.7","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H35 B10 F3 Si -","- C20 H35 B10 F3 Si -","- C160 H280 B80 F24 Si8 -","8","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.1218","0.0693","","","0.1771","0.217","","","","","","1.031","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121325","20.303","0.003","10.0272","0.0016","13.974","0.002","90","","100.98","0.004","90","","2792.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 B10 Si -","- C21 H39 B10 Si -","- C84 H156 B40 Si4 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.2592","0.1156","","","0.3013","0.3921","","","","","","1.024","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121326","7.698","0.002","8.822","0.003","20.149","0.006","94.947","0.005","91.027","0.005","110.034","0.005","1279.1","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H30 B10 F5 Si -","- C19 H30 B10 F5 Si -","- C38 H60 B20 F10 Si2 -","2","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.1506","0.1064","","","0.2721","0.3204","","","","","","1.023","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121327","13.8786","0.0017","8.7325","0.0011","19.944","0.003","90","","93.428","0.002","90","","2412.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H34 B10 S Si -","- C17 H34 B10 S Si -","- C68 H136 B40 S4 Si4 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.152","0.1196","","","0.3344","0.3719","","","","","","1.391","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121328","40.858","0.002","6.6959","0.0003","9.2019","0.0005","90","","90","","90","","2517.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H40 B10 Si2 -","- C16 H40 B10 Si2 -","- C64 H160 B40 Si8 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.0755","0.0645","","","0.1816","0.1928","","","","","","1.094","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121329","13.6375","0.0018","13.2534","0.0018","14.506","0.002","90","","108.952","0.003","90","","2479.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 B10 Si -","- C18 H34 B10 Si -","- C72 H136 B40 Si4 -","4","1","","Yangjian Quan; Jiji Zhang; Zuowei Xie","Three-Component [2+2+1] Cross-cyclotrimerization of Carboryne, Unactivated Alkene, and Trimethylsilylalkyne Co-mediated by Zr and Ni","Journal of the American Chemical Society","2013","135","","18742","18745","10.1021/ja410233e","","","0.71073","MoKα","","0.1195","0.0889","","","0.2366","0.2663","","","","","","1.017","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121330","6.081","0.0007","34.245","0.004","7.4405","0.0009","90","","99.28","0.009","90","","1529.2","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H32 N8 O7 -","- C32 H32 N8 O7 -","- C64 H64 N16 O14 -","2","1","","Si-Wei Zhang; Michelle T. Harasimowicz; Melgardt M. de Villiers; Lian Yu","Cocrystals of Nicotinamide and (R)-Mandelic Acid in Many Ratios with Anomalous Formation Properties","Journal of the American Chemical Society","2013","135","","18981","18989","10.1021/ja4103887","","","1.54178","CuKα","","0.0542","0.0472","","","0.1151","0.119","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121331","8.377","0.004","5.859","0.002","15.047","0.005","90","","103.08","0.02","90","","719.4","0.5","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","2","","Si-Wei Zhang; Michelle T. Harasimowicz; Melgardt M. de Villiers; Lian Yu","Cocrystals of Nicotinamide and (R)-Mandelic Acid in Many Ratios with Anomalous Formation Properties","Journal of the American Chemical Society","2013","135","","18981","18989","10.1021/ja4103887","","x-ray","1.54178","CuKα","K-L~3~","0.0314","0.0284","","","0.0768","0.0802","","","","","","1.046","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4121332","9.8938","0.0011","11.3371","0.0013","24.318","0.003","86.787","0.007","83.279","0.006","80.303","0.006","2668.4","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H41 Cl N O1.5 -","- C30 H41 Cl N O1.5 -","- C120 H164 Cl4 N4 O6 -","4","2","","Janell K. Mahoney; David Martin; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Bottleable (Amino)(Carboxy) Radicals Derived from Cyclic (Alkyl)(Amino) Carbenes","Journal of the American Chemical Society","2013","135","","18766","18769","10.1021/ja4104765","","x-ray","0.71073","MoKα","K-L~3~","0.0623","0.0415","","","0.0879","0.0986","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121333","10.3069","0.0008","13.2296","0.0011","13.2731","0.001","108.688","0.002","103.093","0.002","106.689","0.002","1537.7","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H82 Cl10 N2 O2 -","- C56 H82 Cl10 N2 O2 -","- C56 H82 Cl10 N2 O2 -","1","0.5","","Janell K. Mahoney; David Martin; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Bottleable (Amino)(Carboxy) Radicals Derived from Cyclic (Alkyl)(Amino) Carbenes","Journal of the American Chemical Society","2013","135","","18766","18769","10.1021/ja4104765","","x-ray","0.71073","MoKα","K-L~3~","0.0838","0.0487","","","0.1063","0.1207","","","","","","1.034","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121334","12.4627","0.0012","14.7071","0.0018","27.878","0.003","90","","95.428","0.005","90","","5086.9","1","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N O -","- C30 H40 N O -","- C240 H320 N8 O8 -","8","2","","Janell K. Mahoney; David Martin; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Bottleable (Amino)(Carboxy) Radicals Derived from Cyclic (Alkyl)(Amino) Carbenes","Journal of the American Chemical Society","2013","135","","18766","18769","10.1021/ja4104765","","x-ray","0.71073","MoKα","K-L~3~","0.0853","0.0477","","","0.0944","0.1086","","","","","","1.007","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121335","14.936","0.008","11.904","0.008","34.07","0.02","90","","96.695","0.014","90","","6016","6","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H82 Cl8 N2 O2 -","- C56 H82 Cl8 N2 O2 -","- C224 H328 Cl32 N8 O8 -","4","0.5","","Janell K. Mahoney; David Martin; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Bottleable (Amino)(Carboxy) Radicals Derived from Cyclic (Alkyl)(Amino) Carbenes","Journal of the American Chemical Society","2013","135","","18766","18769","10.1021/ja4104765","","x-ray","0.71073","MoKα","K-L~3~","0.1869","0.122","","","0.3416","0.3818","","","","","","1.31","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121336","11.6366","0.0005","29.7863","0.0013","23.7121","0.001","90","","90.466","0.002","90","","8218.6","0.6","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H118 Cl10 N3 O3 -","- C80 H118 Cl10 N3 O3 -","- C320 H472 Cl40 N12 O12 -","4","1","","Janell K. Mahoney; David Martin; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Bottleable (Amino)(Carboxy) Radicals Derived from Cyclic (Alkyl)(Amino) Carbenes","Journal of the American Chemical Society","2013","135","","18766","18769","10.1021/ja4104765","","x-ray","0.71073","MoKα","K-L~3~","0.129","0.0716","","","0.1785","0.2135","","","","","","1.025","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121337","12.6557","0.0014","12.6784","0.0014","13.718","0.003","100.654","0.006","115.768","0.005","106.263","0.005","1779.2","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H29 B2 F8 Fe N9 O -","- C28 H27 B2 F8 Fe N9 -","- C56 H54 B4 F16 Fe2 N18 -","2","1","","Chih-Chin Tsou; Wan-Lin Yang; Wen-Feng Liaw","Nitrite Activation to Nitric Oxide via One-fold Protonation of Iron(II)-O,O-nitrito Complex: Relevance to the Nitrite Reductase Activity of Deoxyhemoglobin and Deoxyhemerythrin","Journal of the American Chemical Society","2013","135","","18758","18761","10.1021/ja4105864","","","0.71073","MoKα","","0.1499","0.077","","","0.2094","0.2298","","","","","","1.054","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121338","11.444","0.008","13.299","0.01","14.486","0.01","72.599","0.012","67.669","0.011","67.909","0.011","1858","2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H30 B2 F8 Fe N11 O -","- C30 H30 B2 F8 Fe N11 O -","- C60 H60 B4 F16 Fe2 N22 O2 -","2","1","","Chih-Chin Tsou; Wan-Lin Yang; Wen-Feng Liaw","Nitrite Activation to Nitric Oxide via One-fold Protonation of Iron(II)-O,O-nitrito Complex: Relevance to the Nitrite Reductase Activity of Deoxyhemoglobin and Deoxyhemerythrin","Journal of the American Chemical Society","2013","135","","18758","18761","10.1021/ja4105864","","","0.71073","MoKα","","0.1568","0.0837","","","0.1979","0.2388","","","","","","1.038","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121339","12.64","0.002","13.899","0.003","13.955","0.002","68.84","0.005","72.286","0.004","86.501","0.005","2174.7","0.7","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H45 B F4 Fe N8 O5 -","- C36 H45 B F4 Fe N8 O5 -","- C72 H90 B2 F8 Fe2 N16 O10 -","2","1","","Chih-Chin Tsou; Wan-Lin Yang; Wen-Feng Liaw","Nitrite Activation to Nitric Oxide via One-fold Protonation of Iron(II)-O,O-nitrito Complex: Relevance to the Nitrite Reductase Activity of Deoxyhemoglobin and Deoxyhemerythrin","Journal of the American Chemical Society","2013","135","","18758","18761","10.1021/ja4105864","","","0.71073","MoKα","","0.1214","0.0786","","","0.2343","0.2653","","","","","","1.089","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121340","10.5608","0.0002","11.7145","0.0002","12.1361","0.0002","97.474","0.001","96.418","0.001","102.415","0.001","1438.62","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H21 B F4 Fe N10 O3 -","- C26 H21 B F4 Fe N10 O3 -","- C52 H42 B2 F8 Fe2 N20 O6 -","2","1","","Chih-Chin Tsou; Wan-Lin Yang; Wen-Feng Liaw","Nitrite Activation to Nitric Oxide via One-fold Protonation of Iron(II)-O,O-nitrito Complex: Relevance to the Nitrite Reductase Activity of Deoxyhemoglobin and Deoxyhemerythrin","Journal of the American Chemical Society","2013","135","","18758","18761","10.1021/ja4105864","","","0.71073","MoKα","","0.0358","0.031","","","0.0815","0.0845","","","","","","1.049","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121341","12.723","0.002","15.038","0.003","17.505","0.003","87.696","0.007","87.126","0.008","68.291","0.007","3106.9","1","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H54 B3 F12 Fe2 N17 O3 -","- C54 H51 B3 F12 Fe2 N16 O3 -","- C108 H102 B6 F24 Fe4 N32 O6 -","2","1","","Chih-Chin Tsou; Wan-Lin Yang; Wen-Feng Liaw","Nitrite Activation to Nitric Oxide via One-fold Protonation of Iron(II)-O,O-nitrito Complex: Relevance to the Nitrite Reductase Activity of Deoxyhemoglobin and Deoxyhemerythrin","Journal of the American Chemical Society","2013","135","","18758","18761","10.1021/ja4105864","","","0.71073","MoKα","","0.1712","0.0904","","","0.2218","0.2462","","","","","","1.108","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121342","18.5177","0.0017","13.1599","0.0012","19.8179","0.0018","90","","105.801","0.002","90","","4647","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H63 F N2 O4 W -","- C54 H63 F N2 O4 W -","- C216 H252 F4 N8 O16 W4 -","4","1","","Yanchuan Zhao; Timothy M. Swager","Detection and Differentiation of Neutral Organic Compounds by 19F NMR with a Tungsten Calix[4]arene Imido Complex","Journal of the American Chemical Society","2013","135","","18770","18773","10.1021/ja4106804","","","0.71073","MoKα","","0.021","0.0174","","","0.0411","0.0425","","","","","","1.032","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121343","15.0951","0.0004","15.0951","0.0004","19.9811","0.0008","90","","90","","120","","3943","0.2","143","1","143","1","","","","","","","","7","P 63","P 6c","173","","","","- C72 H72 Ce I Li3 N6 O6 -","- C72 H72 Ce I Li3 N6 O6 -","- C144 H144 Ce2 I2 Li6 N12 O12 -","2","0.333333","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.1019","0.0554","","","0.131","0.1436","","","","","","0.995","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121344","15.133","0.0005","15.133","0.0005","19.5974","0.0009","90","","90","","120","","3886.7","0.3","143","1","143","1","","","","","","","","7","P 63","P 6c","173","","","","- C72 H72 Br Ce Li3 N6 O6 -","- C72 H72 Br Ce Li3 N6 O6 -","- C144 H144 Br2 Ce2 Li6 N12 O12 -","2","0.333333","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.1342","0.1022","","","0.2571","0.269","","","","","","1.137","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121345","15.1153","0.0007","29.8987","0.0014","17.6866","0.0007","90","","105.789","0.002","90","","7691.5","0.6","143","1","143","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C72 H72 Ce Cl Li3 N6 O6 -","- C72 H72 Ce Cl Li3 N6 O6 -","- C288 H288 Ce4 Cl4 Li12 N24 O24 -","4","2","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0695","0.0567","","","0.1462","0.1534","","","","","","1.061","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121346","20.0895","0.0011","20.0895","0.0011","23.6913","0.0013","90","","90","","90","","9561.5","0.9","143","1","143","1","","","","","","","","5","P 41","P 4w","76","","","","- C102 H96 Ce K2 O12 -","- C102 H96 Ce K2 O12 -","- C408 H384 Ce4 K8 O48 -","4","1","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0547","0.0395","","","0.0812","0.0857","","","","","","0.968","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121347","21.2574","0.0016","15.4522","0.0011","22.0986","0.0016","90","","117.814","0.003","90","","6420.2","0.8","143","1","143","1","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C72 H72 Ce Li3 N6 O6 -","- C72 H72 Ce Li3 N6 O6 -","- C288 H288 Ce4 Li12 N24 O24 -","4","1","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0651","0.0597","","","0.1628","0.1658","","","","","","1.085","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121348","16.5797","0.0007","16.5797","0.0007","36.2517","0.0016","90","","90","","120","","8630","0.6","143","1","143","1","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C60 H36 Ce Cs2 O6 -","- C60 H36 Ce Cs2 O6 -","- C360 H216 Ce6 Cs12 O36 -","6","0.5","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0941","0.0861","","","0.1864","0.1898","","","","","","1.227","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121349","15.6632","0.0007","19.7465","0.0009","26.1329","0.0013","90","","90","","90","","8082.7","0.7","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C92 H95 Ce Li3 O17 -","- C92 H95 Ce Li3 O17 -","- C368 H380 Ce4 Li12 O68 -","4","1","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0769","0.0476","","","0.1007","0.1123","","","","","","1.044","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121350","25.0846","0.0012","11.535","0.0005","28.3393","0.0013","90","","111.048","0.002","90","","7652.9","0.6","143","1","143","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H76 Ce Li3 N O11 S -","- C81 H76 Ce Li3 N O11 S -","- C324 H304 Ce4 Li12 N4 O44 S4 -","4","2","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0449","0.0408","","","0.1055","0.1081","","","","","","0.888","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121351","24.9724","0.0011","11.3739","0.0005","28.3222","0.0012","90","","111.236","0.002","90","","7498.2","0.6","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C80 H76 Ce Li3 N3 O11 -","- C80 H76 Ce Li3 N3 O11 -","- C320 H304 Ce4 Li12 N12 O44 -","4","2","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0615","0.0449","","","0.093","0.0978","","","","","","1.011","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121352","15.5152","0.0014","21.337","0.002","26.22","0.003","90","","90","","90","","8680.1","1.5","143","1","143","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C99 H103 Ce Li3 O15 P -","- C99 H103 Ce Li3 O15 P -","- C396 H412 Ce4 Li12 O60 P4 -","4","1","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.0382","0.0325","","","0.0823","0.0864","","","","","","1.053","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121353","14.46","0.002","14.456","0.002","25.908","0.004","86.959","0.006","84.638","0.006","68.076","0.005","5001","1.3","143","1","143","1","","","","","","","","6","P 1","P 1","1","","","","- C114.5 H104 Ce Li3 O12 P2 -","- C114.5 H104 Ce Li3 O12 P2 -","- C229 H208 Ce2 Li6 O24 P4 -","2","2","","Jerome R. Robinson; Zachary Gordon; Corwin H. Booth; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter","Tuning Reactivity and Electronic Properties through Ligand Reorganization within a Cerium Heterobimetallic Framework","Journal of the American Chemical Society","2013","135","","19016","19024","10.1021/ja410688w","","","0.71073","MoKα","","0.037","0.0347","","","0.0899","0.0913","","","","","","1.081","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121354","10.3126","0.0007","11.7478","0.0008","15.7614","0.0011","101.007","0.001","96.918","0.001","92.577","0.001","1856.2","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H59 Cl P2 Ru Si2 -","- C35 H59 Cl P2 Ru Si2 -","- C70 H118 Cl2 P4 Ru2 Si4 -","2","1","","María J. Bernal; Olga Torres; Marta Martín; Eduardo Sola","Reversible Insertion of Carbenes into Ruthenium-Silicon Bonds","Journal of the American Chemical Society","2013","135","","19008","19015","10.1021/ja410822p","","","0.71073","MoKα","","0.0396","0.0313","","","0.0682","0.0717","","","","","","0.989","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121355","10.7041","0.0015","47.995","0.007","11.3362","0.0016","90","","106.13","0.002","90","","5594.6","1.4","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H82 Cl2 P4 Ru2 Si2 -","- C53.5 H82 Cl2 P4 Ru2 Si2 -","- C214 H328 Cl8 P16 Ru8 Si8 -","4","1","","María J. Bernal; Olga Torres; Marta Martín; Eduardo Sola","Reversible Insertion of Carbenes into Ruthenium-Silicon Bonds","Journal of the American Chemical Society","2013","135","","19008","19015","10.1021/ja410822p","","","0.71073","MoKα","","0.0681","0.0368","","","0.0596","0.065","","","","","","0.845","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121356","14.422","0.002","15.902","0.002","13.8473","0.0019","90","","91.731","0.002","90","","3174.3","0.7","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 Cl P2 Ru Si -","- C33 H45 Cl P2 Ru Si -","- C132 H180 Cl4 P8 Ru4 Si4 -","4","1","","María J. Bernal; Olga Torres; Marta Martín; Eduardo Sola","Reversible Insertion of Carbenes into Ruthenium-Silicon Bonds","Journal of the American Chemical Society","2013","135","","19008","19015","10.1021/ja410822p","","","0.71073","MoKα","","0.092","0.0412","","","0.0608","0.07","","","","","","0.802","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121357","9.529","0.003","9.891","0.004","15.47","0.006","90.93","0.005","94.619","0.005","110.277","0.004","1361.7","0.9","100","0.2","100","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H39 Cl O P2 Ru Si -","- C26 H39 Cl O P2 Ru Si -","- C52 H78 Cl2 O2 P4 Ru2 Si2 -","2","1","","María J. Bernal; Olga Torres; Marta Martín; Eduardo Sola","Reversible Insertion of Carbenes into Ruthenium-Silicon Bonds","Journal of the American Chemical Society","2013","135","","19008","19015","10.1021/ja410822p","","","0.71073","MoKα","","0.0965","0.0702","","","0.1788","0.1943","","","","","","1.035","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121358","11.4424","0.0005","18.9456","0.0008","33.3086","0.0015","90","","93.922","0.001","90","","7203.8","0.5","100","0.2","100","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H56 O2 P2 Ru Si2 -","- C34 H56 O2 P2 Ru Si2 -","- C272 H448 O16 P16 Ru8 Si16 -","8","1","","María J. Bernal; Olga Torres; Marta Martín; Eduardo Sola","Reversible Insertion of Carbenes into Ruthenium-Silicon Bonds","Journal of the American Chemical Society","2013","135","","19008","19015","10.1021/ja410822p","","","0.71073","MoKα","","0.0344","0.0305","","","0.0705","0.0726","","","","","","1.101","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121359","30.152","0.009","30.764","0.009","44.449","0.013","90","","90","","90","","41231","2","93","","93","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C1648 H1024 N192 O232 S64 Zn48 -","- C1648 H912 N192 O232 S64 Zn48 -","- C1648 H912 N192 O232 S64 Zn48 -","1","0.125","","Takashi Nakamura; Hitoshi Ube; Ryosuke Miyake; Mitsuhiko Shionoya","A C60-Templated Tetrameric Porphyrin Barrel Complex via Zinc-Mediated Self-Assembly Utilizing Labile Capping Ligands","Journal of the American Chemical Society","2013","135","","18790","18793","10.1021/ja4110446","","","0.71073","MoKα","","0.2513","0.1887","","","0.4575","0.4982","","","","","","1.767","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121360","18.7373","0.0019","7.5768","0.0008","20.604","0.002","90","","114.173","0.002","90","","2668.6","0.5","100","","100","","","","","","","","dichloromethane,hexane","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O4 -","- C16 H16 O4 -","- C128 H128 O32 -","8","2","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","0.71073","MoKα","","0.0825","0.0783","","","0.2149","0.2178","","","","","","1.165","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121361","8.9259","0.0003","12.5274","0.0011","16.0569","0.001","90","","105.646","0.005","90","","1728.9","0.2","100","","100","","","","","","","","dichloromethane,pentane","2","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 -","- C26 H18 -","- C104 H72 -","4","1","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","0.71073","MoKα","","0.06","0.046","","","0.1293","0.1381","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121362","15.4509","0.0005","10.9866","0.0012","19.235","0.003","90","","104.463","0.008","90","","3161.7","0.6","100","","100","","","","","","","","methanol","2","C 1 c 1","C -2yc","9","","","","- C24 H16 -","- C24 H16 -","- C192 H128 -","8","2","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","0.71073","MoKα","","0.0763","0.0575","","","0.1487","0.1645","","","","","","1.121","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121363","8.309","0.0008","8.0817","0.0007","8.705","0.0008","90","","108.227","0.001","90","","555.22","0.09","100","","100","","","","","","","","methanol","2","P 1 21 1","P 2yb","4","","","","- C16 H14 -","- C16 H14 -","- C32 H28 -","2","1","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","0.71073","Mo-Kα","","0.0381","0.036","","","0.1003","0.1029","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121364","25.819","0.003","15.859","0.002","25.45","0.002","90","","113.707","0.006","90","","9541.5","1.9","200","","200","","","","","","","","chloroform,pentane","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H61.5 B Cl6 F4 N4 P Pt -","- C37 H61.5 B Cl6 F4 N4 P Pt -","- C296 H492 B8 Cl48 F32 N32 P8 Pt8 -","8","2","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","0.71073","MoKα","","0.0969","0.0822","","","0.2045","0.2135","","","","","","1.208","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121365","45.8483","0.0014","11.6679","0.0003","15.3567","0.0005","90","","90","","90","","8215.1","0.4","100","","100","","","","","","","","dichloromethane/diethylether","6","P b c n","-P 2n 2ab","60","","PTA-PB-166-03_7279","","- C36 H61 B2 F8 N4 P -","- C36 H61 B2 F8 N4 P -","- C288 H488 B16 F64 N32 P8 -","8","1","","Javier Carreras; Gopinadhanpillai Gopakumar; Liangu Gu; Ana Gimeno; Pawel Linowski; Jekaterina Petuškova; Walter Thiel; Manuel Alcarazo","Polycationic Ligands in Gold Catalysis: Synthesis and Applications of Extremely π-Acidic Catalysts","Journal of the American Chemical Society","2013","135","","18815","18823","10.1021/ja411146x","","","1.54178","Cu-Kα","","0.0895","0.0794","","","0.1689","0.1718","","","","","","2.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4121366","25.5125","0.0013","25.5125","0.0013","67.262","0.004","90","","90","","120","","37915","4","100","2","100","2","","","","","","","","6","R 3 :H","R 3","146","R-Ga4-CZ","toste73","","- C444 H672 Ga4 K12 N24 O102 -","- C228 H240 Ga4 N24 O48 -","- C684 H720 Ga12 N72 O144 -","3","0.333333","","Chen Zhao; Qing-Fu Sun; William M. Hart-Cooper; Antonio G. DiPasquale; F. Dean Toste; Robert G. Bergman; Kenneth N. Raymond","Chiral Amide Directed Assembly of a Diastereo- and Enantiopure Supramolecular Host and its Application to Enantioselective Catalysis of Neutral Substrates","Journal of the American Chemical Society","2013","135","","18802","18805","10.1021/ja411631v","","","1.54178","CuKα","","0.0952","0.0915","","","0.2541","0.2584","","","","","","1.094","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4121367","11.727","0.003","11.746","0.003","15.471","0.004","81.252","0.004","72.971","0.004","60.415","0.004","1771.9","0.8","153","2","153","2","","","","","","","","5","P 1","P 1","1","","","","- C43 H37 Cl N4 O -","- C43 H37 Cl N4 O -","- C86 H74 Cl2 N8 O2 -","2","2","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71073","MoKα","","0.0831","0.0801","","","0.2197","0.2225","","","","","","1.062","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121368","7.9259","0.0011","7.9259","0.0011","60.915","0.018","90","","90","","90","","3826.7","1.4","123","2","123","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C176 H184 N8 O16 S8 -","8","1","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71073","MoKα","","0.1136","0.1119","","","0.234","0.2349","","","","","","1.334","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121369","6.4319","0.0016","16.382","0.004","27.793","0.007","90","","90","","90","","2928.5","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N2 O5 S -","- C32 H38 N2 O5 S -","- C128 H152 N8 O20 S4 -","4","1","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71075","MoKα","","0.1421","0.0933","","","0.2105","0.2481","","","","","","1.035","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121370","6.493","0.002","16.778","0.006","30.179","0.011","90","","90","","90","","3288","2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H41 N2 O5 S -","- C36 H40 N2 O5 S -","- C144 H160 N8 O20 S4 -","4","1","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71075","MoKα","","0.1011","0.0784","","","0.1907","0.2145","","","","","","1.016","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121371","21.29","0.006","21.29","0.006","9.79","0.004","90","","90","","120","","3843","2","123","2","123","2","","","","","","","","3","R 3 :H","R 3","146","","","","- C20 H24 N2 -","- C20 H24 N2 -","- C180 H216 N18 -","9","1","","Kohsuke Ohmatsu; Yuichiro Ando; Takashi Ooi","Asymmetric Substitution at the Tetrasubstituted Chiral Carbon: Catalytic Ring-Opening Alkylation of Racemic 2,2-Disubstituted Aziridines with 3-Substituted Oxindoles","Journal of the American Chemical Society","2013","135","","18706","18709","10.1021/ja411647x","","","0.71073","MoKα","","0.0973","0.0748","","","0.1857","0.1931","","","","","","1.169","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121372","6.502","0.0012","7.522","0.0008","20.6532","0.0017","97.77","0.005","91.964","0.004","90.557","0.005","1000.1","0.2","100","","100","","","","","","","","","4","P 1","P 1","1","","","","- C22 H22 N2 O7 -","- C22 H22 N2 O7 -","- C44 H44 N4 O14 -","2","2","","Si-Wei Zhang; Michelle T. Harasimowicz; Melgardt M. de Villiers; Lian Yu","Cocrystals of Nicotinamide and (R)-Mandelic Acid in Many Ratios with Anomalous Formation Properties","Journal of the American Chemical Society","2013","135","","18981","18989","10.1021/ja4103887","","x-ray","1.54178","CuKα","K-L~3~","0.0281","0.027","","","0.0746","0.0762","","","","","","1.038","","","","has coordinates,has Fobs","179015","2020-10-21","18:00:00",""
"4121373","10.068","0.003","15.684","0.004","20.994","0.006","101.281","0.005","97.097","0.004","90.207","0.005","3224.8","1.6","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H43 Cl4 Fe N2 O P -","- C28 H43 Cl4 Fe N2 O P -","- C112 H172 Cl16 Fe4 N8 O4 P4 -","4","2","","Dongjie Peng; Yanlu Zhang; Xiaoyong Du; Lei Zhang; Xuebing Leng; Marc D. Walter; Zheng Huang","Phosphinite-Iminopyridine Iron Catalysts for Chemoselective Alkene Hydrosilylation","Journal of the American Chemical Society","2013","135","","19154","19166","10.1021/ja404963f","","","0.71073","MoKα","","0.1964","0.0779","","","0.1525","0.1851","","","","","","1.054","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121374","10.111","0.002","12.582","0.003","18.628","0.004","107.715","0.004","90.048","0.004","90.537","0.005","2257.3","0.9","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H25 Br2 Fe N2 O P -","- C19 H25 Br2 Fe N2 O P -","- C76 H100 Br8 Fe4 N8 O4 P4 -","4","2","","Dongjie Peng; Yanlu Zhang; Xiaoyong Du; Lei Zhang; Xuebing Leng; Marc D. Walter; Zheng Huang","Phosphinite-Iminopyridine Iron Catalysts for Chemoselective Alkene Hydrosilylation","Journal of the American Chemical Society","2013","135","","19154","19166","10.1021/ja404963f","","","0.71073","MoKα","","0.1109","0.085","","","0.2439","0.265","","","","","","1.086","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121375","17.4863","0.0017","10.2818","0.0009","16.1659","0.0013","90","","98.045","0.006","90","","2877.9","0.4","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Fe N2 O3 P -","- C29 H41 Fe N2 O3 P -","- C116 H164 Fe4 N8 O12 P4 -","4","1","","Dongjie Peng; Yanlu Zhang; Xiaoyong Du; Lei Zhang; Xuebing Leng; Marc D. Walter; Zheng Huang","Phosphinite-Iminopyridine Iron Catalysts for Chemoselective Alkene Hydrosilylation","Journal of the American Chemical Society","2013","135","","19154","19166","10.1021/ja404963f","","","1.54178","CuKα","","0.1306","0.0779","","","0.1931","0.229","","","","","","1.002","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121376","2.85176","","2.85176","","10.98618","","90","","90","","120","","77.375","","","","300","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Co0.6 Mo1.4 N2 -","- Co0.6 Mo1.4 N2 -","- Co1.2 Mo2.8 N4 -","2","0.0833333","","Bingfei Cao; Gabriel M. Veith; Joerg C. Neuefeind; Radoslav R. Adzic; Peter G. Khalifah","Mixed Close-Packed Cobalt Molybdenum Nitrides as Non-noble Metal Electrocatalysts for the Hydrogen Evolution Reaction","Journal of the American Chemical Society","2013","135","","19186","19192","10.1021/ja4081056","","","","Neutron,TOF","","4.975","","","5.935","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121377","2.85148","0.000033","2.85148","0.000033","10.98899","0.0003","90","","90","","120","","77.38","0.002","","","300","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Co0.6 Mo1.4 N2 -","- Co0.5655 Mo1.4345 N2 -","- Co1.131 Mo2.869 N4 -","2","0.0833333","","Bingfei Cao; Gabriel M. Veith; Joerg C. Neuefeind; Radoslav R. Adzic; Peter G. Khalifah","Mixed Close-Packed Cobalt Molybdenum Nitrides as Non-noble Metal Electrocatalysts for the Hydrogen Evolution Reaction","Journal of the American Chemical Society","2013","135","","19186","19192","10.1021/ja4081056","","","","x-ray","","9.414","","","11.344","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4121378","6.6154","0.0003","6.8546","0.0003","7.4796","0.0003","82.032","0.002","67.561","0.005","71.9979","0.0018","298.06","0.02","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C2 H14 Cu F8 N2 O4 V2 -","- C2 H14 Cu F8 N2 O4 V2 -","- C2 H14 Cu F8 N2 O4 V2 -","1","0.5","","Romain Gautier; Kengo Oka; Takumi Kihara; Nitesh Kumar; Athinarayanan Sundaresan; Masashi Tokunaga; Masaki Azuma; Kenneth R. Poeppelmeier","Spin Frustration from cis-Edge or -Corner Sharing Metal-Centered Octahedra","Journal of the American Chemical Society","2013","135","","19268","19274","10.1021/ja409831h","","x-ray","0.71069","MoKα","","0.0215","0.0187","","","0.0496","0.0515","","","","","","0.93","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121379","7.107","0.003","17.24","0.0007","12.1314","0.0018","90","","125.491","0.012","90","","1210.2","0.6","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cu F4 N2 O2 V -","- C10 H10 Cu F4 N2 O2 V -","- C40 H40 Cu4 F16 N8 O8 V4 -","4","1","","Romain Gautier; Kengo Oka; Takumi Kihara; Nitesh Kumar; Athinarayanan Sundaresan; Masashi Tokunaga; Masaki Azuma; Kenneth R. Poeppelmeier","Spin Frustration from cis-Edge or -Corner Sharing Metal-Centered Octahedra","Journal of the American Chemical Society","2013","135","","19268","19274","10.1021/ja409831h","","x-ray","0.71069","MoKα","","0.0274","0.0229","","","0.0555","0.057","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121380","15.0308","0.0006","25.1917","0.001","23.7066","0.001","90","","103.928","0.002","90","","8712.6","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C82 H89 Ca F9 Fe3 N7 O24 S3 -","- C82 H89 Ca F9 Fe3 N7 O24 S3 -","- C328 H356 Ca4 F36 Fe12 N28 O96 S12 -","4","1","","David E. Herbert; Davide Lionetti; Jonathan Rittle; Theodor Agapie","Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals","Journal of the American Chemical Society","2013","135","","19075","19078","10.1021/ja4104974","","","0.71073","MoKα","","0.1284","0.0664","","","0.1675","0.1961","","","","","","1.032","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121381","14.949","0.005","25.335","0.008","23.827","0.008","90","","102.574","0.008","90","","8808","5","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C79.87 H82.97 Cl0.76 F9 Fe3 La N6 O22.62 S3 -","- C78.824 H82.864 Cl0.784 F9 Fe3 La N6 O23.608 S3 -","- C315.296 H331.456 Cl3.136 F36 Fe12 La4 N24 O94.432 S12 -","4","1","","David E. Herbert; Davide Lionetti; Jonathan Rittle; Theodor Agapie","Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals","Journal of the American Chemical Society","2013","135","","19075","19078","10.1021/ja4104974","","","0.71073","MoKα","","0.0939","0.0567","","","0.1458","0.1726","","","","","","1.086","","","","has coordinates,has disorder,has Fobs","179015","2020-10-21","18:00:00",""
"4121382","14.5972","0.0018","25.161","0.003","23.47","0.003","90","","102.693","0.007","90","","8409.4","1.8","100","","100","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C77 H77 Cl2 F9 Fe3 N6 O23 S3 Sc -","- C77 H77 Cl2 F9 Fe3 N6 O23 S3 Sc -","- C308 H308 Cl8 F36 Fe12 N24 O92 S12 Sc4 -","4","1","","David E. Herbert; Davide Lionetti; Jonathan Rittle; Theodor Agapie","Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals","Journal of the American Chemical Society","2013","135","","19075","19078","10.1021/ja4104974","","","0.71073","MoKα","","0.1636","0.1248","","","0.3287","0.3558","","","","","","1.095","","","","has coordinates,has disorder,has Fobs","179015","2020-10-21","18:00:00",""
"4121383","16.2788","0.0006","26.1544","0.0009","20.0612","0.0007","90","","105.979","0.002","90","","8211.3","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 F9 Fe3 N6 O20 S3 Sr -","- C68 H56 F9 Fe3 N6 O20 S3 Sr -","- C272 H224 F36 Fe12 N24 O80 S12 Sr4 -","4","1","","David E. Herbert; Davide Lionetti; Jonathan Rittle; Theodor Agapie","Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals","Journal of the American Chemical Society","2013","135","","19075","19078","10.1021/ja4104974","","","0.71073","MoKα","","0.0497","0.0389","","","0.119","0.1255","","","","","","0.965","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121384","14.292","0.003","14.592","0.003","18.666","0.004","72.48","0.03","72.06","0.03","70.67","0.03","3407.7","1.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H49 F9 Fe3 N7 O18 S3 Zn -","- C66 H49 F9 Fe3 N7 O18 S3 Zn -","- C132 H98 F18 Fe6 N14 O36 S6 Zn2 -","2","1","","David E. Herbert; Davide Lionetti; Jonathan Rittle; Theodor Agapie","Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals","Journal of the American Chemical Society","2013","135","","19075","19078","10.1021/ja4104974","","","0.7293","synchrotron","","0.0903","0.0869","","","0.2457","0.2481","","","","","","0.829","","","","has coordinates,has disorder,has Fobs","179015","2020-10-21","18:00:00",""
"4121385","11.8543","0.0018","26.583","0.004","25.731","0.004","90","","93.023","0.008","90","","8097","2","100","","100.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C77.25 H81.63 Ca F6 Fe3 N6 O20.56 S2 -","- C77.256 H81.64 Ca F6 Fe3 N6 O20.564 S2 -","- C309.024 H326.56 Ca4 F24 Fe12 N24 O82.256 S8 -","4","1","","David E. Herbert; Davide Lionetti; Jonathan Rittle; Theodor Agapie","Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals","Journal of the American Chemical Society","2013","135","","19075","19078","10.1021/ja4104974","","","0.71073","MoKα","","0.1744","0.0986","","","0.2377","0.2798","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","179015","2020-10-21","18:00:00",""
"4121386","7.71","0.003","5.872","0.003","20.638","0.01","90","","98.296","0.007","90","","924.6","0.7","93","","93","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","0.5","","Yuji Yamaguchi; Keisuke Ogawa; Ken-ichi Nakayama; Yoshihiro Ohba; Hiroshi Katagiri","Terazulene: A High-Performance n-Type Organic Field-Effect Transistor Based on Molecular Orbital Distribution Control","Journal of the American Chemical Society","2013","135","","19095","19098","10.1021/ja410696j","","","0.71075","MoKα","","0.0946","0.07","","","0.1428","0.1569","","","","","","1.157","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121387","25.815","0.004","16.29","0.002","18.8","0.003","90","","133.36","","90","","5748","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H0 Co N4 -","- C32 H41 Co N4 -","- C256 H328 Co8 N32 -","8","1","","Jennifer V. Obligacion; Paul J. Chirik","Bis(imino)pyridine Cobalt-Catalyzed Alkene Isomerization-Hydroboration: A Strategy for Remote Hydrofunctionalization with Terminal Selectivity","Journal of the American Chemical Society","2013","135","","19107","19110","10.1021/ja4108148","","","0.71073","MoKα","","0.0407","0.0311","","","0.0947","0.1119","","","","","","0.641","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121388","17.205","0.002","7.9085","0.0009","11.6143","0.0014","90","","121.075","0.002","90","","1353.5","0.3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 Fe3 N4 Se4 -","- C4 H16 Fe3 N4 Se4 -","- C16 H64 Fe12 N16 Se16 -","4","0.5","","Chongin Pak; Saeed Kamali; Joyce Pham; Kathleen Lee; Joshua T. Greenfield; Kirill Kovnir","Chemical Excision of Tetrahedral FeSe2 Chains from the Superconductor FeSe: Synthesis, Crystal Structure, and Magnetism of Fe3Se4(en)2","Journal of the American Chemical Society","2013","135","","19111","19114","10.1021/ja410820u","","","0.71073","MoKα","","0.0732","0.0388","","","0.0716","0.0837","","","","","","1.002","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121389","10.5967","0.0005","13.4725","0.0007","11.0152","0.0005","90","","104.774","0.0015","90","","1520.58","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O3 S -","- C17 H19 N O3 S -","- C68 H76 N4 O12 S4 -","4","1","","Naoki Ishida; Yasuhiro Shimamoto; Takaaki Yano; Masahiro Murakami","1,5-Rhodium Shift in Rearrangement of N-Arenesulfonylazetidin-3-ols into Benzosultams","Journal of the American Chemical Society","2013","135","","19103","19106","10.1021/ja410910s","","","0.71075","MoKα","","0.0335","0.0322","","","0.0868","0.0878","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4121390","12.6242","0.0011","13.2594","0.0012","17.3455","0.0015","82.796","0.002","80.942","0.001","68.583","0.001","2662","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.5 H28.5 F20 N5 O2.5 S2.5 -","- C52.5 H28.5 F20 N5 O2.25 S2.25 -","- C105 H57 F40 N10 O4.5 S4.5 -","2","1","","Yongshu Xie; Pingchun Wei; Xin Li; Tao Hong; Kai Zhang; Hiroyuki Furuta","Macrocycle Contraction and Expansion of a Dihydrosapphyrin Isomer","Journal of the American Chemical Society","2013","135","","19119","19122","10.1021/ja4112644","","","0.71073","MoKα","","0.2072","0.0857","","","0.1829","0.2372","","","","","","0.923","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4121391","15.064","0.003","9.7487","0.0018","30.825","0.006","90","","92.476","0.003","90","","4522.6","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H20 F20 N6 O2 -","- C51 H20 F20 N6 O2 -","- C204 H80 F80 N24 O8 -","4","1","","Yongshu Xie; Pingchun Wei; Xin Li; Tao Hong; Kai Zhang; Hiroyuki Furuta","Macrocycle Contraction and Expansion of a Dihydrosapphyrin Isomer","Journal of the American Chemical Society","2013","135","","19119","19122","10.1021/ja4112644","","","0.71073","MoKα","","0.0929","0.0533","","","0.1398","0.1631","","","","","","1.02","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121392","16.774","0.005","34.488","0.012","17.962","0.006","90","","116.539","0.009","90","","9296","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H15 F20 N5 O2 Zn -","- C49 H15 F20 N5 O2 Zn -","- C392 H120 F160 N40 O16 Zn8 -","8","2","","Yongshu Xie; Pingchun Wei; Xin Li; Tao Hong; Kai Zhang; Hiroyuki Furuta","Macrocycle Contraction and Expansion of a Dihydrosapphyrin Isomer","Journal of the American Chemical Society","2013","135","","19119","19122","10.1021/ja4112644","","","0.71073","MoKα","","0.1632","0.0683","","","0.1569","0.1952","","","","","","0.983","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121393","8.743","0.0005","15.4709","0.0009","17.2257","0.001","94.615","0.002","101.716","0.002","96.813","0.002","2252.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H35 Cl2 F40 N10 O2 -","- C100 H35 Cl2 F40 N10 O2 -","- C100 H35 Cl2 F40 N10 O2 -","1","0.5","","Yongshu Xie; Pingchun Wei; Xin Li; Tao Hong; Kai Zhang; Hiroyuki Furuta","Macrocycle Contraction and Expansion of a Dihydrosapphyrin Isomer","Journal of the American Chemical Society","2013","135","","19119","19122","10.1021/ja4112644","","","0.71073","MoKα","","0.0692","0.0575","","","0.1564","0.1653","","","","","","1.081","","","","has coordinates,has disorder","179015","2020-10-21","18:00:00",""
"4121394","11.54889","0.00009","8.77611","0.00007","16.11647","0.00013","90","","104.651","0.0008","90","","1580.36","0.02","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Zhengren Xu; Qian Wang; Jieping Zhu","Enantioselective Total Syntheses of Leuconolam-Leuconoxine-Mersicarpine Group Monoterpene Indole Alkaloids","Journal of the American Chemical Society","2013","135","","19127","19130","10.1021/ja4115192","","","1.54178","CuKα","","0.0339","0.0335","","","0.0851","0.0855","","","","","","1.051","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121395","9.3613","0.0003","12.1715","0.0004","17.8394","0.0006","90","","97.558","0.003","90","","2014.98","0.12","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cl3 N2 O3 -","- C20 H23 Cl3 N2 O3 -","- C80 H92 Cl12 N8 O12 -","4","1","","Zhengren Xu; Qian Wang; Jieping Zhu","Enantioselective Total Syntheses of Leuconolam-Leuconoxine-Mersicarpine Group Monoterpene Indole Alkaloids","Journal of the American Chemical Society","2013","135","","19127","19130","10.1021/ja4115192","","","1.54178","CuKα","","0.0416","0.0363","","","0.0887","0.0925","","","","","","1.026","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121396","9.782","0.0003","7.49799","0.00019","11.2172","0.0003","90","","107.875","0.003","90","","783.01","0.04","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","1","","Zhengren Xu; Qian Wang; Jieping Zhu","Enantioselective Total Syntheses of Leuconolam-Leuconoxine-Mersicarpine Group Monoterpene Indole Alkaloids","Journal of the American Chemical Society","2013","135","","19127","19130","10.1021/ja4115192","","","1.54178","CuKα","","0.0344","0.0341","","","0.0896","0.09","","","","","","1.041","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121397","8.05042","0.00013","14.5426","0.0002","15.2311","0.0003","90","","90","","90","","1783.17","0.05","140","2","140","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N2 O4 -","- C20 H26 N2 O4 -","- C80 H104 N8 O16 -","4","1","","Zhengren Xu; Qian Wang; Jieping Zhu","Enantioselective Total Syntheses of Leuconolam-Leuconoxine-Mersicarpine Group Monoterpene Indole Alkaloids","Journal of the American Chemical Society","2013","135","","19127","19130","10.1021/ja4115192","","","1.54178","CuKα","","0.0305","0.0304","","","0.079","0.0794","","","","","","1.068","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121398","8.4093","0.0002","8.6581","0.0003","8.7267","0.0003","105.959","0.001","114.847","0.002","96.574","0.001","534.73","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","PH2C(O)NH2*0.5(18-crown-6)","","- C7 H16 N O4 P -","- C7 H16 N O4 P -","- C14 H32 N2 O8 P2 -","2","1","","Andrew R. Jupp; Jose M. Goicoechea","Phosphinecarboxamide: A Phosphorus-Containing Analogue of Urea and Stable Primary Phosphine","Journal of the American Chemical Society","2013","135","","19131","19134","10.1021/ja4115693","","","0.71073","MoKα","","0.0416","0.0321","","","0.0781","0.0821","","","","","","1.046","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121399","13.842","0.005","12.699","0.005","15.101","0.006","90","","94.131","0.017","90","","2647.6","1.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N4 O4 P2 -","- C54 H72 N4 O4 P2 -","- C108 H144 N8 O8 P4 -","2","0.5","","Yuzhong Wang; Yaoming Xie; Pingrong Wei; Henry F. Schaefer; Paul von R. Schleyer; Gregory H. Robinson","Splitting Molecular Oxygen en Route to a Stable Molecule Containing Diphosphorus Tetroxide","Journal of the American Chemical Society","2013","135","","19139","19142","10.1021/ja411667f","","","0.71073","MoKα","","0.1198","0.063","","","0.1572","0.1965","","","","","","1.017","","","","has coordinates","179015","2020-10-21","18:00:00",""
"4121400","12.9724","0.0008","14.6285","0.0009","14.8116","0.0009","90","","102.335","0.001","90","","2745.9","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 N4 O6 P2 -","- C54 H76 N4 O6 P2 -","- C108 H152 N8 O12 P4 -","2","0.5","","Yuzhong Wang; Yaoming Xie; Pingrong Wei; Henry F. Schaefer; Paul von R. Schleyer; Gregory H. Robinson","Splitting Molecular Oxygen en Route to a Stable Molecule Containing Diphosphorus Tetroxide","Journal of the American Chemical Society","2013","135","","19139","19142","10.1021/ja411667f","","","0.71073","MoKα","","0.0868","0.0507","","","0.1236","0.1474","","","","","","1.024","","","","has coordinates","179016","2020-10-21","18:00:00",""
"4331584","9.0538","0.001","9.0953","0.0008","17.313","0.0014","79.48","0.015","80.32","0.014","72.61","0.013","1327.8","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Bi Cl3 N4 O14 -","- C22 H16 Bi Cl3 N4 O14 -","- C44 H32 Bi2 Cl6 N8 O28 -","2","1","","Ashley N. Carolan; Gregory M. Cockrell; Neil J. Williams; Gang Zhang; Donald G. VanDerveer; Hee-Seung Lee; Randolph P. Thummel; Robert D. Hancock","Selectivity of the Highly Preorganized Tetradentate Ligand 2,9-Di(pyrid-2-yl)-1,10-phenanthroline for Metal Ions in Aqueous Solution, Including Lanthanide(III) Ions and the Uranyl(VI) Cation","Inorganic Chemistry","2013","52","","15","27","10.1021/ic3002509","","","0.71073","MoKα","","0.0882","0.0709","","","0.1722","0.1914","","","","","","1.081","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331588","7.8346","0.0016","10.333","0.002","23.502","0.005","79.51","0.03","80.43","0.03","76.1","0.03","1801","0.7","153","2","153","2","","","","","","","","6","P 1","P 1","1","","","","- C44 H28 Cl2 N8 O8 Zn -","- C44 H28 Cl2 N8 O8 Zn -","- C88 H56 Cl4 N16 O16 Zn2 -","2","2","","Ashley N. Carolan; Gregory M. Cockrell; Neil J. Williams; Gang Zhang; Donald G. VanDerveer; Hee-Seung Lee; Randolph P. Thummel; Robert D. Hancock","Selectivity of the Highly Preorganized Tetradentate Ligand 2,9-Di(pyrid-2-yl)-1,10-phenanthroline for Metal Ions in Aqueous Solution, Including Lanthanide(III) Ions and the Uranyl(VI) Cation","Inorganic Chemistry","2013","52","","15","27","10.1021/ic3002509","","","0.71073","MoKα","","0.0679","0.0507","","","0.095","0.1062","","","","","","1.003","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331590","15.78","0.0007","13.0913","0.0006","17.1942","0.0008","90","","112.518","0.002","90","","3281.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H55 B Ni O2 P2 -","- C34 H55 B Ni O2 P2 -","- C136 H220 B4 Ni4 O8 P8 -","4","1","","Sumit Chakraborty; Jie Zhang; Yogi J. Patel; Jeanette A. Krause; Hairong Guan","Pincer-Ligated Nickel Hydridoborate Complexes: the Dormant Species in Catalytic Reduction of Carbon Dioxide with Boranes","Inorganic Chemistry","2013","52","","37","47","10.1021/ic300587b","","","1.54178","CuKα","","0.0728","0.047","","","0.1179","0.1291","","","","","","1.066","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331592","8.287","0.0002","12.149","0.0003","13.4267","0.0003","100.274","0.001","95.653","0.001","105.074","0.002","1269.32","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H43 B Ni O2 P2 -","- C22 H43 B Ni O2 P2 -","- C44 H86 B2 Ni2 O4 P4 -","2","1","","Sumit Chakraborty; Jie Zhang; Yogi J. Patel; Jeanette A. Krause; Hairong Guan","Pincer-Ligated Nickel Hydridoborate Complexes: the Dormant Species in Catalytic Reduction of Carbon Dioxide with Boranes","Inorganic Chemistry","2013","52","","37","47","10.1021/ic300587b","","","1.54178","CuKα","","0.0522","0.041","","","0.1045","0.1119","","","","","","1.043","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331594","12.9681","0.0004","23.5433","0.0008","14.6846","0.0005","90","","100.352","0.001","90","","4410.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 B Ni O2 P2 -","- C18 H35 B Ni O2 P2 -","- C144 H280 B8 Ni8 O16 P16 -","8","2","","Sumit Chakraborty; Jie Zhang; Yogi J. Patel; Jeanette A. Krause; Hairong Guan","Pincer-Ligated Nickel Hydridoborate Complexes: the Dormant Species in Catalytic Reduction of Carbon Dioxide with Boranes","Inorganic Chemistry","2013","52","","37","47","10.1021/ic300587b","","","1.54178","CuKα","","0.0844","0.0498","","","0.1124","0.1286","","","","","","1.009","","","","has coordinates","179418","2020-10-21","18:00:00",""
"4331596","8.7254","0.0001","10.506","0.0002","14.5596","0.0002","81.742","0.001","86.572","0.001","83.28","0.001","1310.5","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 B Ni O2 P2 -","- C26 H43 B Ni O2 P2 -","- C52 H86 B2 Ni2 O4 P4 -","2","1","","Sumit Chakraborty; Jie Zhang; Yogi J. Patel; Jeanette A. Krause; Hairong Guan","Pincer-Ligated Nickel Hydridoborate Complexes: the Dormant Species in Catalytic Reduction of Carbon Dioxide with Boranes","Inorganic Chemistry","2013","52","","37","47","10.1021/ic300587b","","","1.54178","CuKα","","0.0452","0.0389","","","0.0999","0.1043","","","","","","1.052","","","","has coordinates,has disorder","179418","2020-10-21","18:00:00",""
"4331598","10.1714","0.0008","20.5363","0.0013","15.1935","0.0009","90","","109.556","0.003","90","","2990.6","0.4","180","","180","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N4 P2 -","- C36 H28 N4 P2 -","- C144 H112 N16 P8 -","4","1","","Cécile Barthes; Christine Lepetit; Yves Canac; Carine Duhayon; Davit Zargarian; Remi Chauvin","P(CH)P Pincer Rhodium(I) Complexes: The Key Role of Electron-Poor Imidazoliophosphine Extremities","Inorganic Chemistry","2013","52","","48","58","10.1021/ic3006508","","","0.71073","MoKα","","0.0698","0.0456","","0.066","0.0468","0.0446","","","","","","1.1229","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331600","15.633","0.003","22.942","0.005","14.911","0.003","90","","116.15","0.03","90","","4800","2","180","","180","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 F6 N4 O6 P2 S2 -","- C40 H34 F6 N4 O6 P2 S2 -","- C160 H136 F24 N16 O24 P8 S8 -","4","0.5","","Cécile Barthes; Christine Lepetit; Yves Canac; Carine Duhayon; Davit Zargarian; Remi Chauvin","P(CH)P Pincer Rhodium(I) Complexes: The Key Role of Electron-Poor Imidazoliophosphine Extremities","Inorganic Chemistry","2013","52","","48","58","10.1021/ic3006508","","","0.71073","MoKα","","0.1414","0.1191","","0.122","0.1093","0.1073","","","","","","1.0681","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331602","12.7519","0.0012","13.7106","0.0013","13.8297","0.0013","77.39","0.004","79.713","0.004","68.869","0.004","2187.7","0.4","180","","180","","","","","","","","","9","P -1","-P 1","2","","","","- C41 H34 Cl F6 N4 O7 P2 Rh S2 -","- C41 H34 Cl F6 N4 O7 P2 Rh S2 -","- C82 H68 Cl2 F12 N8 O14 P4 Rh2 S4 -","2","1","","Cécile Barthes; Christine Lepetit; Yves Canac; Carine Duhayon; Davit Zargarian; Remi Chauvin","P(CH)P Pincer Rhodium(I) Complexes: The Key Role of Electron-Poor Imidazoliophosphine Extremities","Inorganic Chemistry","2013","52","","48","58","10.1021/ic3006508","","","0.71073","MoKα","","0.0406","0.0315","","0.0395","0.0315","0.0306","","","","","","1.1104","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331604","13.0326","0.0011","14.3918","0.0012","15.8859","0.0013","114.695","0.001","94.432","0.001","100.251","0.001","2625.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H88 N6 Ni S4 -","- C52 H88 N6 Ni S4 -","- C104 H176 N12 Ni2 S8 -","2","1","","Ramababu Bolligarla; Samala Nagaprasad Reddy; Gummadi Durgaprasad; Vudagandla Sreenivasulu; Samar K. Das","Influence of the Substituents on the Electronic and Electrochemical Properties of a New Square-Planar Nickel-Bis(quinoxaline-6,7-dithiolate) System: Synthesis, Spectroscopy, Electrochemistry, Crystallography, and Theoretical Investigation","Inorganic Chemistry","2013","52","","66","76","10.1021/ic301017g","","","0.71073","MoKα","","0.1049","0.0786","","","0.1801","0.1942","","","","","","1.089","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331606","26.993","0.002","13.2302","0.0009","16.4171","0.0011","90","","117.476","0.002","90","","5201.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H48 N4 Ni P2 S4 -","- C64 H48 N4 Ni P2 S4 -","- C256 H192 N16 Ni4 P8 S16 -","4","0.5","","Ramababu Bolligarla; Samala Nagaprasad Reddy; Gummadi Durgaprasad; Vudagandla Sreenivasulu; Samar K. Das","Influence of the Substituents on the Electronic and Electrochemical Properties of a New Square-Planar Nickel-Bis(quinoxaline-6,7-dithiolate) System: Synthesis, Spectroscopy, Electrochemistry, Crystallography, and Theoretical Investigation","Inorganic Chemistry","2013","52","","66","76","10.1021/ic301017g","","","0.71073","MoKα","","0.0921","0.0804","","","0.197","0.2052","","","","","","1.112","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331608","19.654","0.0012","19.3493","0.0012","41.897","0.003","90","","102.767","0.001","90","","15539.1","1.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C97 H85 N7 Ni O3 P2 S4 -","- C95.06 H71 N5.94 Ni O3 P2 S4 -","- C760.48 H568 N47.52 Ni8 O24 P16 S32 -","8","1","","Ramababu Bolligarla; Samala Nagaprasad Reddy; Gummadi Durgaprasad; Vudagandla Sreenivasulu; Samar K. Das","Influence of the Substituents on the Electronic and Electrochemical Properties of a New Square-Planar Nickel-Bis(quinoxaline-6,7-dithiolate) System: Synthesis, Spectroscopy, Electrochemistry, Crystallography, and Theoretical Investigation","Inorganic Chemistry","2013","52","","66","76","10.1021/ic301017g","","","0.71073","MoKα","","0.112","0.0875","","","0.1805","0.1924","","","","","","1.112","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331616","13.8484","0.0015","8.5484","0.0009","22.521","0.003","90","","101.239","0.002","90","","2614.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H76 Cl4 N6 Ni S4 -","- C48 H4 Cl4 N6 Ni S4 -","- C96 H8 Cl8 N12 Ni2 S8 -","2","0.5","","Ramababu Bolligarla; Samala Nagaprasad Reddy; Gummadi Durgaprasad; Vudagandla Sreenivasulu; Samar K. Das","Influence of the Substituents on the Electronic and Electrochemical Properties of a New Square-Planar Nickel-Bis(quinoxaline-6,7-dithiolate) System: Synthesis, Spectroscopy, Electrochemistry, Crystallography, and Theoretical Investigation","Inorganic Chemistry","2013","52","","66","76","10.1021/ic301017g","","","0.71073","MoKα","","0.183","0.169","","","0.364","0.3733","","","","","","1.249","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331618","14.3901","0.0004","12.5772","0.0004","21.7574","0.0008","90","","124.537","0.002","90","","3243.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 As Cu2 Mo3 N12 O12 -","- C20 H25 As Cu2 Mo3 N12 O12 -","- C80 H100 As4 Cu8 Mo12 N48 O48 -","4","1","","Bo Liu; Jin Yang; Guo-Cheng Yang; Jian-Fang Ma","Four New Three-Dimensional Polyoxometalate-Based Metal-Organic Frameworks Constructed From [Mo6O18(O3AsPh)2]4- Polyoxoanions and Copper(I)-Organic Fragments: Syntheses, Structures, Electrochemistry, and Photocatalysis Properties","Inorganic Chemistry","2013","52","","84","94","10.1021/ic301257k","","","0.71073","MoKα","","0.039","0.0247","","","0.0475","0.0489","","","","","","0.905","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331620","11.3976","0.0003","13.3822","0.0004","13.3964","0.0005","109.716","0.003","96.413","0.002","107.931","0.002","1776.28","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H29 As Cu2 Mo3 N12 O12 -","- C22 H29 As Cu2 Mo3 N12 O12 -","- C44 H58 As2 Cu4 Mo6 N24 O24 -","2","1","","Bo Liu; Jin Yang; Guo-Cheng Yang; Jian-Fang Ma","Four New Three-Dimensional Polyoxometalate-Based Metal-Organic Frameworks Constructed From [Mo6O18(O3AsPh)2]4- Polyoxoanions and Copper(I)-Organic Fragments: Syntheses, Structures, Electrochemistry, and Photocatalysis Properties","Inorganic Chemistry","2013","52","","84","94","10.1021/ic301257k","","","0.71073","MoKα","","0.0513","0.038","","","0.1064","0.1092","","","","","","1.052","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331622","11.4894","0.0003","13.0862","0.0003","13.147","0.0003","82.996","0.002","82.647","0.002","85.451","0.002","1941.72","0.08","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H33 As Cu2 Mo3 N12 O12 -","- C24 H33 As Cu2 Mo3 N12 O12 -","- C48 H66 As2 Cu4 Mo6 N24 O24 -","2","1","","Bo Liu; Jin Yang; Guo-Cheng Yang; Jian-Fang Ma","Four New Three-Dimensional Polyoxometalate-Based Metal-Organic Frameworks Constructed From [Mo6O18(O3AsPh)2]4- Polyoxoanions and Copper(I)-Organic Fragments: Syntheses, Structures, Electrochemistry, and Photocatalysis Properties","Inorganic Chemistry","2013","52","","84","94","10.1021/ic301257k","","","0.71073","MoKα","","0.0754","0.0425","","","0.1032","0.1116","","","","","","0.943","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331624","11.4377","0.0002","19.3351","0.0003","14.3898","0.0004","90","","128.486","0.001","90","","2490.97","0.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 As Cu2 Mo3 N6 O12 -","- C16 H21 As Cu2 Mo3 N6 O12 -","- C64 H84 As4 Cu8 Mo12 N24 O48 -","4","1","","Bo Liu; Jin Yang; Guo-Cheng Yang; Jian-Fang Ma","Four New Three-Dimensional Polyoxometalate-Based Metal-Organic Frameworks Constructed From [Mo6O18(O3AsPh)2]4- Polyoxoanions and Copper(I)-Organic Fragments: Syntheses, Structures, Electrochemistry, and Photocatalysis Properties","Inorganic Chemistry","2013","52","","84","94","10.1021/ic301257k","","","0.71073","MoKα","","0.0309","0.0224","","","0.0478","0.0487","","","","","","0.946","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331626","21.443","0.003","6.957","0.004","20.57","0.002","90","","90","","90","","3068.6","1.8","293","2","293","2","","","","","","","","3","I m m a","-I 2b 2","74","[V(IV)O(BPDC)]","","","- C14 O5 V -","- C7 O2.5 V0.5 -","- C56 O20 V4 -","8","0.5","","Ying-Ya Liu; Sarah Couck; Matthias Vandichel; Maciej Grzywa; Karen Leus; Shyam Biswas; Dirk Volkmer; Jorge Gascon; Freek Kapteijn; Joeri F. M. Denayer; Michel Waroquier; Veronique Van Speybroeck; Pascal Van Der Voort","New VIV-Based Metal-Organic Framework Having Framework Flexibility and High CO2Adsorption Capacity","Inorganic Chemistry","2013","52","","113","120","10.1021/ic301338a","powder diffraction","","1.5418","CuKα","","0.1298","0.0875","","","0.064","0.0979","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331628","12.7","0.0005","26.6401","0.0009","14.322","0.0006","90","","114.388","0.002","90","","4413.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H47 B20 Ir N2 O2 -","- C33 H47 B20 Ir N2 O2 -","- C132 H188 B80 Ir4 N8 O8 -","4","0.5","","Taewon Kim; Hyungjun Kim; Kang Mun Lee; Yoon Sup Lee; Min Hyung Lee","Phosphorescence Color Tuning of Cyclometalated Iridium Complexes byo-Carborane Substitution","Inorganic Chemistry","2013","52","","160","168","10.1021/ic3015699","","","0.71073","MoKα","","0.0435","0.0291","","","0.0789","0.099","","","","","","1.043","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331630","11.273","0.004","18.535","0.006","20.253","0.007","95.201","0.005","94.064","0.004","102.522","0.005","4096","2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H63 Mo N6 O4 P4 -","- C88 H63 Mo N6 O4 P4 -","- C176 H126 Mo2 N12 O8 P8 -","2","1","","Takahiko Ogawa; Yuji Kajita; Yuko Wasada-Tsutsui; Hiroaki Wasada; Hideki Masuda","Preparation, Characterization, and Reactivity of Dinitrogen Molybdenum Complexes with Bis(diphenylphosphino)amine Derivative Ligands that Form a Unique 4-Membered P-N-P Chelate Ring","Inorganic Chemistry","2013","52","","182","195","10.1021/ic301577a","","","0.7107","MoKα","","","0.0737","","","","0.2261","","","","","","1.067","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331632","11.5756","0.0001","12.6994","0.0002","20.0643","0.0005","89.589","0.004","79.536","0.004","74.163","0.003","2787.56","0.1","173.1","","173.1","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H58 Cl2 Mo N2 O P4 -","- C64 H58 Cl2 Mo N2 O P4 -","- C128 H116 Cl4 Mo2 N4 O2 P8 -","2","1","","Takahiko Ogawa; Yuji Kajita; Yuko Wasada-Tsutsui; Hiroaki Wasada; Hideki Masuda","Preparation, Characterization, and Reactivity of Dinitrogen Molybdenum Complexes with Bis(diphenylphosphino)amine Derivative Ligands that Form a Unique 4-Membered P-N-P Chelate Ring","Inorganic Chemistry","2013","52","","182","195","10.1021/ic301577a","","","0.7107","MoKα","","","0.055","","","","0.1548","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331634","18.6171","0.0003","11.351","0.0002","30.2636","0.0007","90","","101.856","0.0009","90","","6258.9","0.2","173.1","","173.1","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C70 H58 Cl2 Mo N2 O1.5 P4 -","- C70 H58 Cl2 Mo N2 O1.5 P4 -","- C280 H232 Cl8 Mo4 N8 O6 P16 -","4","1","","Takahiko Ogawa; Yuji Kajita; Yuko Wasada-Tsutsui; Hiroaki Wasada; Hideki Masuda","Preparation, Characterization, and Reactivity of Dinitrogen Molybdenum Complexes with Bis(diphenylphosphino)amine Derivative Ligands that Form a Unique 4-Membered P-N-P Chelate Ring","Inorganic Chemistry","2013","52","","182","195","10.1021/ic301577a","","","0.7107","MoKα","","","0.0406","","","","0.1193","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331636","14.7122","0.0006","23.2371","0.0006","18.0126","0.0006","90","","90","","90","","6157.9","0.4","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C67 H58 Mo N6 O P4 -","- C67 H58 Mo N6 O P4 -","- C268 H232 Mo4 N24 O4 P16 -","4","0.5","","Takahiko Ogawa; Yuji Kajita; Yuko Wasada-Tsutsui; Hiroaki Wasada; Hideki Masuda","Preparation, Characterization, and Reactivity of Dinitrogen Molybdenum Complexes with Bis(diphenylphosphino)amine Derivative Ligands that Form a Unique 4-Membered P-N-P Chelate Ring","Inorganic Chemistry","2013","52","","182","195","10.1021/ic301577a","","","0.7107","MoKα","","","0.0392","","","","0.1152","","","","","","1.08","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331638","7.1407","0.0006","7.1407","0.0006","20.489","0.004","90","","90","","90","","1044.7","0.2","120","1","120","1","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C34 H18 Fe N7 O1.5 Pt -","- C34 Fe N7 O1.5 Pt -","- C34 Fe N7 O1.5 Pt -","1","0.0625","","Francisco J. Muñoz-Lara; Ana B. Gaspar; M. Carmen Muñoz; Vadim Ksenofontov; José Antonio Real","Novel Iron(II) Microporous Spin-Crossover Coordination Polymers with Enhanced Pore Size","Inorganic Chemistry","2013","52","","3","5","10.1021/ic301639r","","","0.71073","MoKα","","0.086","0.0859","","","0.2055","0.2112","","","","","","0.978","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331641","3.8912","0.0004","12.3171","0.0013","32.947","0.004","90","","90","","90","","1579.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C72 H64 N8 O16 -","4","1","","Dominik Lieb; Felix C. Friedel; Mirza Yawer; Achim Zahl; Marat M. Khusniyarov; Frank W. Heinemann; Ivana Ivanović-Burmazović","Dinuclear Seven-Coordinate Mn(II) Complexes: Effect of Manganese(II)-Hydroxo Species on Water Exchange and Superoxide Dismutase Activity","Inorganic Chemistry","2013","52","","222","236","10.1021/ic301714d","","","0.71073","MoKα","","0.0652","0.0563","","","0.1436","0.1475","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4331644","20.051","0.004","21.294","0.004","10.9675","0.0018","90","","113.622","0.003","90","","4290.4","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H60 Cl4 Mn2 N10 O4 -","- C34 H60 Cl4 Mn2 N10 O4 -","- C136 H240 Cl16 Mn8 N40 O16 -","4","0.5","","Dominik Lieb; Felix C. Friedel; Mirza Yawer; Achim Zahl; Marat M. Khusniyarov; Frank W. Heinemann; Ivana Ivanović-Burmazović","Dinuclear Seven-Coordinate Mn(II) Complexes: Effect of Manganese(II)-Hydroxo Species on Water Exchange and Superoxide Dismutase Activity","Inorganic Chemistry","2013","52","","222","236","10.1021/ic301714d","","","0.71073","MoKα","","0.086","0.0578","","","0.1484","0.1649","","","","","","1.29","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4331649","19.718","0.003","21.431","0.003","11.3327","0.0018","90","","112.073","0.004","90","","4437.9","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H68 Cl4 Mn2 N10 O4 -","- C34 H68 Cl4 Mn2 N10 O4 -","- C136 H272 Cl16 Mn8 N40 O16 -","4","0.5","","Dominik Lieb; Felix C. Friedel; Mirza Yawer; Achim Zahl; Marat M. Khusniyarov; Frank W. Heinemann; Ivana Ivanović-Burmazović","Dinuclear Seven-Coordinate Mn(II) Complexes: Effect of Manganese(II)-Hydroxo Species on Water Exchange and Superoxide Dismutase Activity","Inorganic Chemistry","2013","52","","222","236","10.1021/ic301714d","","","0.71073","MoKα","","0.0666","0.0547","","","0.1549","0.1635","","","","","","1.199","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4331651","14.6864","0.0011","16.7403","0.0013","26.01","0.002","90","","90","","90","","6394.7","0.8","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C22 H38 B9 Cl3 N P2 Rh S -","- C22 H38 B9 Cl3 N P2 Rh S -","- C176 H304 B72 Cl24 N8 P16 Rh8 S8 -","8","1","","Beatriz Calvo; Ramón Macías; Maria Jose Artigas; Fernando J. Lahoz; Luis A. Oro","Reactions of 11-Vertex Rhodathiaboranes with HCl: Synthesis and Reactivity of New Cl-Ligated Clusters","Inorganic Chemistry","2013","52","","211","221","10.1021/ic301715n","","","0.71073","MoKα","","0.0531","0.0304","","","0.0672","0.0725","","","","","","1.028","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331653","24.184","0.005","15.085","0.003","14.588","0.003","90","","93.002","0.003","90","","5314.6","1.9","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C14 H38 B9 Cl N O P2 Rh S -","- C14 H30.5978 B9 Cl N O0.75 P2 Rh S -","- C112 H244.782 B72 Cl8 N8 O6 P16 Rh8 S8 -","8","1","","Beatriz Calvo; Ramón Macías; Maria Jose Artigas; Fernando J. Lahoz; Luis A. Oro","Reactions of 11-Vertex Rhodathiaboranes with HCl: Synthesis and Reactivity of New Cl-Ligated Clusters","Inorganic Chemistry","2013","52","","211","221","10.1021/ic301715n","","","0.71073","MoKα","","0.0276","0.0258","","","0.0677","0.0685","","","","","","1.13","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331655","4.9748","0.0007","4.9748","0.0007","4.6449","0.0009","90","","90","","120","","99.55","0.03","293","2","293","2","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- F6 Hf Li2 -","- F6 Hf Li2 -","- F6 Hf Li2 -","1","0.0833333","","Christopher C. Underwood; Colin D. McMillen; Hongyu Chen; Jeffery N. Anker; Joseph W. Kolis","Hydrothermal Chemistry, Structures, and Luminescence Studies of Alkali Hafnium Fluorides","Inorganic Chemistry","2013","52","","237","244","10.1021/ic301760a","","","0.71073","MoKα","","0.0319","0.0319","","","0.077","0.077","","","","","","1.215","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331657","11.627","0.002","5.5159","0.0011","8.4317","0.0017","90","","97.46","0.03","90","","536.18","0.18","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- F13 Hf2 Na5 -","- F13 Hf2 Na5 -","- F26 Hf4 Na10 -","2","0.25","","Christopher C. Underwood; Colin D. McMillen; Hongyu Chen; Jeffery N. Anker; Joseph W. Kolis","Hydrothermal Chemistry, Structures, and Luminescence Studies of Alkali Hafnium Fluorides","Inorganic Chemistry","2013","52","","237","244","10.1021/ic301760a","","","0.71073","MoKα","","0.0184","0.0181","","","0.0449","0.0451","","","","","","1.164","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331659","7.6486","0.0011","7.6486","0.0011","28.802","0.006","90","","90","","120","","1459.2","0.4","293","2","293","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- F12 Hf3 K2 O -","- F12 Hf3 K2 O -","- F72 Hf18 K12 O6 -","6","0.166667","","Christopher C. Underwood; Colin D. McMillen; Hongyu Chen; Jeffery N. Anker; Joseph W. Kolis","Hydrothermal Chemistry, Structures, and Luminescence Studies of Alkali Hafnium Fluorides","Inorganic Chemistry","2013","52","","237","244","10.1021/ic301760a","","","0.71073","MoKα","","0.0271","0.0269","","","0.0694","0.0695","","","","","","1.294","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331661","8.9766","0.001","8.9766","0.001","8.9766","0.001","90","","90","","90","","723.33","0.14","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- F19.92 Hf4 K12 O4.08 -","- F19.92 Hf4 K12 O4.08 -","- F19.92 Hf4 K12 O4.08 -","1","0.00520833","","Christopher C. Underwood; Colin D. McMillen; Hongyu Chen; Jeffery N. Anker; Joseph W. Kolis","Hydrothermal Chemistry, Structures, and Luminescence Studies of Alkali Hafnium Fluorides","Inorganic Chemistry","2013","52","","237","244","10.1021/ic301760a","","","0.71073","MoKα","","0.029","0.029","","","0.0833","0.0833","","","","","","1.386","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331663","9.4144","0.0011","9.4144","0.0011","9.4144","0.0011","90","","90","","90","","834.41","0.17","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- F19.92 Hf4 N12 O4.08 -","- F19.92 Hf4 N12 O4.08 -","- F19.92 Hf4 N12 O4.08 -","1","0.00520833","","Christopher C. Underwood; Colin D. McMillen; Hongyu Chen; Jeffery N. Anker; Joseph W. Kolis","Hydrothermal Chemistry, Structures, and Luminescence Studies of Alkali Hafnium Fluorides","Inorganic Chemistry","2013","52","","237","244","10.1021/ic301760a","","","0.71073","MoKα","","0.0259","0.0259","","","0.0619","0.0619","","","","","","1.291","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331665","21.5248","0.0006","21.5248","0.0006","15.2323","0.0008","90","","90","","90","","7057.4","0.5","173","2","173","2","","","","","","","","4","I -4","I -4","82","","","","- C101 H192 Mn12 O49 -","- C101 H188 Mn12 O49 -","- C202 H376 Mn24 O98 -","2","0.25","","Christos Lampropoulos; Muralee Murugesu; Andrew G. Harter; Wolfgang Wernsdofer; Stephen Hill; Naresh S. Dalal; Arneil P. Reyes; Philip L. Kuhns; Khalil A. Abboud; George Christou","Synthesis, Structure, and Spectroscopic and Magnetic Characterization of [Mn12O12(O2CCH2But)16(MeOH)4].MeOH, a Mn12 Single-Molecule Magnet with True Axial Symmetry","Inorganic Chemistry","2013","52","","258","272","10.1021/ic301764t","","","0.71073","MoKα","","0.0415","0.0364","","","0.1035","0.1058","","","","","","1.073","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331670","25.1234","0.0004","25.1234","0.0004","8.412","0.0002","90","","90","","120","","4598.19","0.15","293","2","293","2","","","","","","","","3","P 63 c m","P 6c -2","185","","","","- Ba7 S15 Sn5 -","- Ba7 S15 Sn5 -","- Ba42 S90 Sn30 -","6","0.5","","Zhong-Zhen Luo; Chen-Sheng Lin; Wen-Dan Cheng; Hao Zhang; Wei-Long Zhang; Zhang-Zhen He","Syntheses, Characterization, and Optical Properties of Ternary Ba-Sn-S System Compounds: Acentric Ba7Sn5S15, Centric BaSn2S5, and Centric Ba6Sn7S20","Inorganic Chemistry","2013","52","","273","279","10.1021/ic301804n","","","0.71073","MoKα","","0.0357","0.0349","","","0.0904","0.0912","","","","","","1.01","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331672","6.674","0.003","10.607","0.005","11.394","0.005","90","","90","","90","","806.6","0.6","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- Ba S5 Sn2 -","- Ba S5 Sn2 -","- Ba4 S20 Sn8 -","4","0.5","","Zhong-Zhen Luo; Chen-Sheng Lin; Wen-Dan Cheng; Hao Zhang; Wei-Long Zhang; Zhang-Zhen He","Syntheses, Characterization, and Optical Properties of Ternary Ba-Sn-S System Compounds: Acentric Ba7Sn5S15, Centric BaSn2S5, and Centric Ba6Sn7S20","Inorganic Chemistry","2013","52","","273","279","10.1021/ic301804n","","","0.71073","MoKα","","0.0305","0.0238","","","0.0893","0.1355","","","","","","1.044","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331673","24.519","0.009","6.355","0.002","23.109","0.008","90","","90.101","0.005","90","","3601","2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ba6 S20 Sn7 -","- Ba6 S20 Sn7 -","- Ba24 S80 Sn28 -","4","0.5","","Zhong-Zhen Luo; Chen-Sheng Lin; Wen-Dan Cheng; Hao Zhang; Wei-Long Zhang; Zhang-Zhen He","Syntheses, Characterization, and Optical Properties of Ternary Ba-Sn-S System Compounds: Acentric Ba7Sn5S15, Centric BaSn2S5, and Centric Ba6Sn7S20","Inorganic Chemistry","2013","52","","273","279","10.1021/ic301804n","","","0.71073","MoKα","","0.0255","0.0188","","","0.034","0.0357","","","","","","1.014","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331675","16.1603","0.0003","14.9216","0.0004","30.305","0.0006","90","","90","","90","","7307.7","0.3","173.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C26 H40 Cu F12 N4 O6 P2 -","- C23 H25 Cu F12 N4 O3 P2 -","- C184 H200 Cu8 F96 N32 O24 P16 -","8","1","","Shin-ichiro Noro; Yuh Hijikata; Munehiro Inukai; Tomohiro Fukushima; Satoshi Horike; Masakazu Higuchi; Susumu Kitagawa; Tomoyuki Akutagawa; Takayoshi Nakamura","Highly Selective CO2 Adsorption Accompanied with Low-Energy Regeneration in a Two-Dimensional Cu(II) Porous Coordination Polymer with Inorganic Fluorinated PF6- Anions","Inorganic Chemistry","2013","52","","280","285","10.1021/ic301823j","","","0.71075","MoKα","","","0.0695","","","","0.1232","","","","","","0.922","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331680","11.4022","0.0005","19.3686","0.0011","21.2344","0.0016","115.814","0.007","92.061","0.004","107.022","0.004","3963.2","0.5","106","2","106","2","","","","","","","","4","P -1","-P 1","2","","","","- C35.5 H75 Gd N6 -","- C35.5 H75 Gd N6 -","- C142 H300 Gd4 N24 -","4","2","","Michael Krasnopolski; Cristian G. Hrib; Rüdiger W. Seidel; Manuela Winter; Hans-Werner Becker; Detlef Rogalla; Roland A. Fischer; Frank T. Edelmann; Anjana Devi","Homoleptic Gadolinium Amidinates as Precursors for MOCVD of Oriented Gadolinium Nitride (GdN) Thin Films","Inorganic Chemistry","2013","52","","286","296","10.1021/ic301826s","","","0.71073","MoKα","","0.0666","0.0405","","","0.0876","0.0935","","","","","","0.945","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331683","9.5303","0.0019","19.62","0.004","15.667","0.003","90","","99.8","0.03","90","","2886.7","1","143","2","143","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 Gd N6 -","- C24 H51 Gd N6 -","- C96 H204 Gd4 N24 -","4","1","","Michael Krasnopolski; Cristian G. Hrib; Rüdiger W. Seidel; Manuela Winter; Hans-Werner Becker; Detlef Rogalla; Roland A. Fischer; Frank T. Edelmann; Anjana Devi","Homoleptic Gadolinium Amidinates as Precursors for MOCVD of Oriented Gadolinium Nitride (GdN) Thin Films","Inorganic Chemistry","2013","52","","286","296","10.1021/ic301826s","","","0.71073","MoKα","","0.1088","0.0592","","","0.0836","0.0939","","","","","","1.01","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331685","13.5387","0.0016","17.488","0.003","19.205","0.002","69.57","0.008","70.153","0.007","73.293","0.007","3933.6","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H74 F6 Ir N8 O2 P -","- C72 H74 F6 Ir N8 O2 P -","- C144 H148 F12 Ir2 N16 O4 P2 -","2","1","","Emily E. Langdon-Jones; Andrew J. Hallett; Jack D. Routledge; David A. Crole; Benjamin D. Ward; James A. Platts; Simon J. A. Pope","Using Substituted Cyclometalated Quinoxaline Ligands To Finely Tune the Luminescence Properties of Iridium(III) Complexes","Inorganic Chemistry","2013","52","","448","456","10.1021/ic301853t","","","0.71073","MoKα","","0.1363","0.1045","","","0.2556","0.2783","","","","","","0.84","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331687","13.1447","0.0004","14.1344","0.0004","16.5465","0.0004","80.842","0.002","75.902","0.002","66.275","0.001","2723.15","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H51 F6 Ir N9 P -","- C60 H51 F6 Ir N9 P -","- C120 H102 F12 Ir2 N18 P2 -","2","1","","Emily E. Langdon-Jones; Andrew J. Hallett; Jack D. Routledge; David A. Crole; Benjamin D. Ward; James A. Platts; Simon J. A. Pope","Using Substituted Cyclometalated Quinoxaline Ligands To Finely Tune the Luminescence Properties of Iridium(III) Complexes","Inorganic Chemistry","2013","52","","448","456","10.1021/ic301853t","","","0.71073","MoKα","","0.0912","0.0603","","","0.1176","0.1312","","","","","","1.066","","","","has coordinates,has disorder","179419","2020-10-21","18:00:00",""
"4331689","17.095","0.002","9.4499","0.0011","20.36","0.002","90","","100.219","0.002","90","","3236.9","0.6","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H52 Fe N6 -","- C34 H52 Fe N6 -","- C136 H208 Fe4 N24 -","4","0.5","","Xiaojie Wang; Zhenbo Mo; Jie Xiao; Liang Deng","Monomeric Bis(anilido)iron(II) Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Redox Reactivity toward Aryl Halides","Inorganic Chemistry","2013","52","","59","65","10.1021/ic301894e","","","0.71073","MoKα","","0.0278","0.0269","","","0.0733","0.0741","","","","","","1.068","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331691","21.079","0.002","9.2359","0.001","21.123","0.002","90","","107.531","0.002","90","","3921.3","0.7","133","2","133","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C40 H64 Fe N6 -","- C40 H64 Fe N6 -","- C160 H256 Fe4 N24 -","4","1","","Xiaojie Wang; Zhenbo Mo; Jie Xiao; Liang Deng","Monomeric Bis(anilido)iron(II) Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Redox Reactivity toward Aryl Halides","Inorganic Chemistry","2013","52","","59","65","10.1021/ic301894e","","","0.71073","MoKα","","0.0685","0.0451","","","0.1048","0.115","","","","","","0.974","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331693","11.0972","0.0007","22.5602","0.0015","16.0122","0.0011","90","","103.916","0.001","90","","3891.1","0.4","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Fe N6 -","- C40 H64 Fe N6 -","- C160 H256 Fe4 N24 -","4","1","","Xiaojie Wang; Zhenbo Mo; Jie Xiao; Liang Deng","Monomeric Bis(anilido)iron(II) Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Redox Reactivity toward Aryl Halides","Inorganic Chemistry","2013","52","","59","65","10.1021/ic301894e","","","0.71073","MoKα","","0.0594","0.0396","","","0.0952","0.1059","","","","","","0.992","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331695","10.7209","0.0009","12.1844","0.001","15.3546","0.0013","96.194","0.001","102.035","0.002","106.672","0.001","1848.8","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 Cl4 Fe N6 -","- C34 H48 Cl4 Fe N6 -","- C68 H96 Cl8 Fe2 N12 -","2","1","","Xiaojie Wang; Zhenbo Mo; Jie Xiao; Liang Deng","Monomeric Bis(anilido)iron(II) Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Redox Reactivity toward Aryl Halides","Inorganic Chemistry","2013","52","","59","65","10.1021/ic301894e","","","0.71073","MoKα","","0.0381","0.0312","","","0.0837","0.0887","","","","","","1.026","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4331701","25.435","0.003","11.5817","0.0013","18.907","0.004","90","","126.605","0.001","90","","4471.1","1.2","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H76 Fe N6 -","- C46 H76 Fe N6 -","- C184 H304 Fe4 N24 -","4","0.5","","Xiaojie Wang; Zhenbo Mo; Jie Xiao; Liang Deng","Monomeric Bis(anilido)iron(II) Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Redox Reactivity toward Aryl Halides","Inorganic Chemistry","2013","52","","59","65","10.1021/ic301894e","","","0.71073","MoKα","","0.0604","0.0469","","","0.1256","0.1368","","","","","","1.032","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331702","10.2812","0.0014","22.888","0.003","16.865","0.002","90","","99.463","0.003","90","","3914.6","0.9","132","2","132","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H44 Cl4 Fe N4 -","- C39 H44 Cl4 Fe N4 -","- C156 H176 Cl16 Fe4 N16 -","4","1","","Xiaojie Wang; Zhenbo Mo; Jie Xiao; Liang Deng","Monomeric Bis(anilido)iron(II) Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Redox Reactivity toward Aryl Halides","Inorganic Chemistry","2013","52","","59","65","10.1021/ic301894e","","","0.71073","MoKα","","0.0615","0.0434","","","0.0903","0.098","","","","","","0.999","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331704","11.1412","0.0007","13.5297","0.0009","18.027","0.0012","101.373","0.001","91.985","0.001","114.128","0.001","2411","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H72 Fe N4 -","- C51 H72 Fe N4 -","- C102 H144 Fe2 N8 -","2","1","","Xiaojie Wang; Zhenbo Mo; Jie Xiao; Liang Deng","Monomeric Bis(anilido)iron(II) Complexes with N-Heterocyclic Carbene Ligation: Synthesis, Characterization, and Redox Reactivity toward Aryl Halides","Inorganic Chemistry","2013","52","","59","65","10.1021/ic301894e","","","0.71073","MoKα","","0.0713","0.0492","","","0.1113","0.118","","","","","","1.001","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331706","16.955","0.002","16.955","0.002","14.653","0.003","90","","90","","120","","3648","1","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C144 H131 Cl4 N12 O60 Y7 -","- C144 H108 Cl4 N12 O60 Y7 -","- C144 H108 Cl4 N12 O60 Y7 -","1","0.166667","","Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang","A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units","Inorganic Chemistry","2013","52","","6","8","10.1021/ic301963v","","","0.71073","MoKα","","0.066","0.061","","","0.1712","0.1771","","","","","","1.038","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331708","16.943","0.005","16.943","0.005","14.707","0.006","90","","90","","120","","3656","2","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C144 H131 Cl4 La7 N12 O60 -","- C144 H108 Cl4 La7 N12 O60 -","- C144 H108 Cl4 La7 N12 O60 -","1","0.166667","","Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang","A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units","Inorganic Chemistry","2013","52","","6","8","10.1021/ic301963v","","","0.71073","MoKα","","0.0681","0.0632","","","0.1726","0.1793","","","","","","1.074","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331710","17.061","0.002","17.061","0.002","14.757","0.003","90","","90","","120","","3720","1","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C144 H131 Cl4 Gd7 N12 O60 -","- C144 H108 Cl4 Gd7 N12 O60 -","- C144 H108 Cl4 Gd7 N12 O60 -","1","0.166667","","Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang","A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units","Inorganic Chemistry","2013","52","","6","8","10.1021/ic301963v","","","0.71073","MoKα","","0.083","0.0784","","","0.1886","0.1925","","","","","","1.023","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331715","16.9779","0.0006","16.9779","0.0006","14.6965","0.0008","90","","90","","120","","3668.7","0.3","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C144 H127 Cl4 Dy7 N12 O58 -","- C144 H108 Cl4 Dy7 N12 O58 -","- C144 H108 Cl4 Dy7 N12 O58 -","1","0.166667","","Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang","A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units","Inorganic Chemistry","2013","52","","6","8","10.1021/ic301963v","","","0.71073","MoKα","","0.0449","0.0438","","","0.1259","0.127","","","","","","1.02","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331717","16.9317","0.0005","16.9317","0.0005","14.6966","0.0008","90","","90","","120","","3648.8","0.3","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C144 H127 Cl4 Er7 N12 O58 -","- C144 H108 Cl4 Er7 N12 O58 -","- C144 H108 Cl4 Er7 N12 O58 -","1","0.166667","","Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang","A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units","Inorganic Chemistry","2013","52","","6","8","10.1021/ic301963v","","","0.71073","MoKα","","0.0474","0.0439","","","0.1049","0.1076","","","","","","1.061","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331719","16.923","0.006","16.923","0.006","14.646","0.007","90","","90","","120","","3632","3","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C144 H131 Cl4 N12 O60 Yb7 -","- C144 H108 Cl4 N12 O60 Yb7 -","- C144 H108 Cl4 N12 O60 Yb7 -","1","0.166667","","Wei-Hui Fang; Lin Cheng; Ling Huang; Guo-Yu Yang","A Series of Lanthanide-Based Cluster Organic Frameworks Made of Heptanuclear Trigonal-Prismatic Cluster Units","Inorganic Chemistry","2013","52","","6","8","10.1021/ic301963v","","","0.71073","MoKα","","0.0547","0.054","","","0.1395","0.1401","","","","","","1.075","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331721","21.237","0.005","30.031","0.007","35.292","0.008","90","","96.174","0.003","90","","22378","9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","U22(PO3)20","","","- K14.73 O182 P20 U22 -","- K14.72 O182 P20 U22 -","- K58.88 O728 P80 U88 -","4","1","","Jie Qiu; Kevin Nguyen; Laurent Jouffret; Jennifer E. S. Szymanowski; Peter C. Burns","Time-Resolved Assembly of Chiral Uranyl Peroxo Cage Clusters Containing Belts of Polyhedra","Inorganic Chemistry","2013","52","","337","345","10.1021/ic3020817","","","0.71073","MoKα","","0.1071","0.0771","","","0.196","0.2139","","","","","","1.856","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331722","37.79","0.003","19.7033","0.0014","34.751","0.003","90","","101.701","0.001","90","","25337","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","U28(PO3)24","","","- K12 O112 P12 U14 -","- K12 O112 P12 U14 -","- K96 O896 P96 U112 -","8","1","","Jie Qiu; Kevin Nguyen; Laurent Jouffret; Jennifer E. S. Szymanowski; Peter C. Burns","Time-Resolved Assembly of Chiral Uranyl Peroxo Cage Clusters Containing Belts of Polyhedra","Inorganic Chemistry","2013","52","","337","345","10.1021/ic3020817","","","0.71073","MoKα","","0.104","0.067","","","0.1643","0.1864","","","","","","1.023","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331724","21.601","0.004","30.034","0.006","35.349","0.006","90","","96.311","0.002","90","","22794","7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NaKU22PO3","","","- K10.06 Na4.01 O190 P20 U22 -","- K10.048 Na4.02 O190 P20 U22 -","- K40.192 Na16.08 O760 P80 U88 -","4","1","","Jie Qiu; Kevin Nguyen; Laurent Jouffret; Jennifer E. S. Szymanowski; Peter C. Burns","Time-Resolved Assembly of Chiral Uranyl Peroxo Cage Clusters Containing Belts of Polyhedra","Inorganic Chemistry","2013","52","","337","345","10.1021/ic3020817","","","0.71073","MoKα","","0.085","0.0542","","","0.1672","0.1843","","","","","","1.189","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331727","9.2522","0.0012","35.88","0.005","16.941","0.002","90","","105.4","0.002","90","","5422","1.2","113","2","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H35 B Cu F20 N3 P2 -","- C61 H35 B Cu F20 N3 P2 -","- C244 H140 B4 Cu4 F80 N12 P8 -","4","1","","Michihiro Nishikawa; Kuniharu Nomoto; Shoko Kume; Hiroshi Nishihara","Solvated-Ion-Pairing-Sensitive Molecular Bistability Based on Copper(I)-Coordinated Pyrimidine Ring Rotation","Inorganic Chemistry","2013","52","","369","380","10.1021/ic302141z","","","0.7107","MoKα","","","0.0642","","","","0.1402","","","","","","1.173","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331729","12.822","0.003","15.851","0.004","19.419","0.005","78.53","0.01","84.282","0.012","67.436","0.009","3570.7","1.6","113","2","113","2","","","","","","","","8","P -1","-P 1","2","","","","- C79 H58 B Cu F20 N3 O P2 -","- C79 H58 B Cu F20 N3 O P2 -","- C158 H116 B2 Cu2 F40 N6 O2 P4 -","2","1","","Michihiro Nishikawa; Kuniharu Nomoto; Shoko Kume; Hiroshi Nishihara","Solvated-Ion-Pairing-Sensitive Molecular Bistability Based on Copper(I)-Coordinated Pyrimidine Ring Rotation","Inorganic Chemistry","2013","52","","369","380","10.1021/ic302141z","","","0.7107","MoKα","","","0.09","","","","0.2046","","","","","","1.101","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331731","12.179","0.005","15.881","0.006","19.374","0.007","99.093","0.005","95.012","0.002","107.07","0.007","3501","2","93","2","93","","","","","","","","","8","P -1","-P 1","2","","","","- C37.5 H36.5 B Cu F4 N3 O0.5 P2 -","- C37.5 H35 B Cu F4 N3 O0.5 P2 -","- C150 H140 B4 Cu4 F16 N12 O2 P8 -","4","2","","Michihiro Nishikawa; Kuniharu Nomoto; Shoko Kume; Hiroshi Nishihara","Solvated-Ion-Pairing-Sensitive Molecular Bistability Based on Copper(I)-Coordinated Pyrimidine Ring Rotation","Inorganic Chemistry","2013","52","","369","380","10.1021/ic302141z","","","0.7107","MoKα","","","0.0988","","","","0.2381","","","","","","1.149","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4331733","17.893","0.005","9.44","0.002","18.631","0.005","90","","90","","90","","3147","1.4","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","2,3-(i-PrS)2C6H3NHCON3","","- C13 H18 N4 O S2 -","- C13 H18 N4 O S2 -","- C104 H144 N32 O8 S16 -","8","1","","Taka-aki Okamura; Yasuhito Ushijima; Yui Omi; Kiyotaka Onitsuka","Systematic Investigation of Relationship between Strength of NH...S Hydrogen Bond and Reactivity of Molybdoenzyme Models","Inorganic Chemistry","2013","52","","381","394","10.1021/ic302149p","","","0.71075","MoKα","","0.0714","0.0497","","","0.1266","0.1399","","","","","","1.07","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331734","16.1","0.005","9.371","0.003","10.051","0.003","90","","95.505","0.013","90","","1509.4","0.8","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,3-(i-PrS)2C6H3NHCOCH3","","- C14 H21 N O S2 -","- C14 H21 N O S2 -","- C56 H84 N4 O4 S8 -","4","1","","Taka-aki Okamura; Yasuhito Ushijima; Yui Omi; Kiyotaka Onitsuka","Systematic Investigation of Relationship between Strength of NH...S Hydrogen Bond and Reactivity of Molybdoenzyme Models","Inorganic Chemistry","2013","52","","381","394","10.1021/ic302149p","","","0.71075","MoKα","","0.051","0.0477","","","0.1399","0.144","","","","","","1.058","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331736","20.503","0.005","11.373","0.003","16.802","0.004","90","","108.502","0.011","90","","3715.4","1.6","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,3-(i-PrS)2C6H3NHCO-t-Bu","","- C17 H27 N O S2 -","- C17 H27 N O S2 -","- C136 H216 N8 O8 S16 -","8","1","","Taka-aki Okamura; Yasuhito Ushijima; Yui Omi; Kiyotaka Onitsuka","Systematic Investigation of Relationship between Strength of NH...S Hydrogen Bond and Reactivity of Molybdoenzyme Models","Inorganic Chemistry","2013","52","","381","394","10.1021/ic302149p","","","0.71075","MoKα","","0.0833","0.0687","","","0.2039","0.2148","","","","","","1.073","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331737","7.7754","0.0013","15.348","0.002","45.162","0.006","90","","92.095","0.005","90","","5385.9","1.3","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,3-(i-PrS)2C6H3NHCOCPh3","","- C32 H33 N O S2 -","- C32 H33 N O S2 -","- C256 H264 N8 O8 S16 -","8","2","","Taka-aki Okamura; Yasuhito Ushijima; Yui Omi; Kiyotaka Onitsuka","Systematic Investigation of Relationship between Strength of NH...S Hydrogen Bond and Reactivity of Molybdoenzyme Models","Inorganic Chemistry","2013","52","","381","394","10.1021/ic302149p","","","0.71075","MoKα","","0.1264","0.0633","","","0.1547","0.1786","","","","","","1.025","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331739","44.603","0.007","10.6036","0.0016","25.964","0.004","90","","123.738","0.003","90","","10212","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H50 Cl2 Fe O15 S48 -","- C76 H48 Cl2 Fe O15 S48 -","- C304 H192 Cl8 Fe4 O60 S192 -","4","0.5","","Luca Pilia; Elisa Sessini; Flavia Artizzu; Masahiro Yamashita; Angela Serpe; Kazuya Kubo; Hiroshi Ito; Hisaaki Tanaka; Shin-ichi Kuroda; Jun-ichi Yamada; Paola Deplano; Carlos J. Gómez-García; Maria Laura Mercuri","New BDH-TTP/[MIII(C5O5)3]3- (M = Fe, Ga) Isostructural Molecular Metals","Inorganic Chemistry","2013","52","","423","430","10.1021/ic302234j","","","0.71073","MoKα","","0.0839","0.0633","","","0.1287","0.1366","","","","","","1.149","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331741","44.006","0.007","10.5748","0.0017","26.171","0.004","90","","123.807","0.003","90","","10120","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H50 Cl2 Ga O15 S48 -","- C76 H48 Cl2 Ga O15 S48 -","- C304 H192 Cl8 Ga4 O60 S192 -","4","0.5","","Luca Pilia; Elisa Sessini; Flavia Artizzu; Masahiro Yamashita; Angela Serpe; Kazuya Kubo; Hiroshi Ito; Hisaaki Tanaka; Shin-ichi Kuroda; Jun-ichi Yamada; Paola Deplano; Carlos J. Gómez-García; Maria Laura Mercuri","New BDH-TTP/[MIII(C5O5)3]3- (M = Fe, Ga) Isostructural Molecular Metals","Inorganic Chemistry","2013","52","","423","430","10.1021/ic302234j","","","0.71073","MoKα","","0.0637","0.0386","","","0.0761","0.0816","","","","","","0.887","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331743","9.022","0.003","10.445","0.002","12.295","0.003","71.225","0.019","75.08","0.02","70.25","0.02","1018","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 Cu3 N15 -","- C18 H12 Cu3 N15 -","- C36 H24 Cu6 N30 -","2","1","","Tian Wen; De-Xiang Zhang; Jian Zhang","Two-Dimensional Copper(I) Coordination Polymer Materials as Photocatalysts for the Degradation of Organic Dyes","Inorganic Chemistry","2013","52","","12","14","10.1021/ic302273h","","","0.71073","MoKα","","0.3096","0.1041","","","0.2898","0.3555","","","","","","0.828","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331745","5.8132","0.0004","7.9619","0.0012","8.2074","0.0009","67.801","0.012","74.775","0.007","83.256","0.008","339.3","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H4 Cu N5 -","- C6 H4 Cu N5 -","- C12 H8 Cu2 N10 -","2","1","","Tian Wen; De-Xiang Zhang; Jian Zhang","Two-Dimensional Copper(I) Coordination Polymer Materials as Photocatalysts for the Degradation of Organic Dyes","Inorganic Chemistry","2013","52","","12","14","10.1021/ic302273h","","","0.71073","MoKα","","0.0638","0.0594","","","0.1568","0.1591","","","","","","1.196","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331746","20.8194","0.0005","7.8416","0.0002","13.0646","0.0003","90","","90","","90","","2132.89","0.09","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C7 H6 O8 S U -","- C7 H6 O8 S U -","- C56 H48 O64 S8 U8 -","8","1","","Pierre Thuéry","Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate","Inorganic Chemistry","2013","52","","435","447","10.1021/ic3022744","","","0.71073","MoKα","","0.0392","0.0261","","","0.0598","0.0635","","","","","","0.98","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331748","7.8894","0.0004","12.0629","0.0004","13.3182","0.0007","90","","94.573","0.003","90","","1263.45","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O16 S2 U2 -","- C18 H16 N2 O16 S2 U2 -","- C36 H32 N4 O32 S4 U4 -","2","0.5","","Pierre Thuéry","Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate","Inorganic Chemistry","2013","52","","435","447","10.1021/ic3022744","","","0.71073","MoKα","","0.0406","0.0276","","","0.0482","0.0509","","","","","","0.948","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331750","24.4982","0.0003","9.9823","0.0002","18.6719","0.0003","90","","122.155","0.0009","90","","3865.8","0.12","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N4 O17 S2 U -","- C34 H36 N4 O17 S2 U -","- C136 H144 N16 O68 S8 U4 -","4","0.5","","Pierre Thuéry","Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate","Inorganic Chemistry","2013","52","","435","447","10.1021/ic3022744","","","0.71073","MoKα","","0.0287","0.0271","","","0.0691","0.0698","","","","","","1.115","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331751","10.7449","0.0003","23.4648","0.001","10.1872","0.0004","90","","95.448","0.003","90","","2556.87","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 N4 O24 S4 U2 -","- C48 H36 N4 O24 S4 U2 -","- C96 H72 N8 O48 S8 U4 -","2","0.5","","Pierre Thuéry","Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate","Inorganic Chemistry","2013","52","","435","447","10.1021/ic3022744","","","0.71073","MoKα","","0.0711","0.0421","","","0.0915","0.0996","","","","","","1.028","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331757","10.743","0.004","32.178","0.002","14.3508","0.001","90","","100.324","0.004","90","","4880.6","1.9","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H40 N4 O24 S3 U2 -","- C41 H34 N4 O24 S3 U2 -","- C164 H136 N16 O96 S12 U8 -","4","1","","Pierre Thuéry","Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate","Inorganic Chemistry","2013","52","","435","447","10.1021/ic3022744","","","0.71073","MoKα","","0.1701","0.0767","","","0.1656","0.1916","","","","","","0.979","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331760","14.8569","0.0007","16.3899","0.0007","20.0779","0.0008","88.442","0.003","70.273","0.002","66.815","0.002","4198.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H41 N2 O21.5 S3 U2 -","- C29 H38 N2 O21.5 S3 U2 -","- C116 H152 N8 O86 S12 U8 -","4","2","","Pierre Thuéry","Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate","Inorganic Chemistry","2013","52","","435","447","10.1021/ic3022744","","","0.71073","MoKα","","0.0572","0.0381","","","0.0939","0.0997","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331762","7.0444","0.0005","10.6214","0.001","11.5329","0.0011","83.349","0.004","87.808","0.005","80.027","0.005","844","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 N2 O18 S2 U3 -","- C22 H32 N2 O18 S2 U3 -","- C22 H32 N2 O18 S2 U3 -","1","0.5","","Pierre Thuéry","Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate","Inorganic Chemistry","2013","52","","435","447","10.1021/ic3022744","","","0.71073","MoKα","","0.0502","0.0349","","","0.0868","0.0921","","","","","","0.991","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331764","13.3465","0.0001","28.5557","0.0003","16.3283","0.0002","90","","97.2807","0.0005","90","","6172.84","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 N4 O38 S4 U5 -","- C40 H54 N4 O38 S4 U5 -","- C160 H216 N16 O152 S16 U20 -","4","1","","Pierre Thuéry","Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate","Inorganic Chemistry","2013","52","","435","447","10.1021/ic3022744","","","0.71073","MoKα","","0.046","0.0351","","","0.093","0.0974","","","","","","1.023","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331766","11.1314","0.0003","12.7398","0.0005","13.4514","0.0006","89.413","0.002","88.893","0.003","64.583","0.002","1722.6","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H52 Cu2 N8 O26 S4 U2 -","- C68 H52 Cu2 N8 O26 S4 U2 -","- C68 H52 Cu2 N8 O26 S4 U2 -","1","0.5","","Pierre Thuéry","Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate","Inorganic Chemistry","2013","52","","435","447","10.1021/ic3022744","","","0.71073","MoKα","","0.035","0.0277","","","0.0584","0.0602","","","","","","0.988","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331768","11.2043","0.0002","15.0029","0.0005","17.9274","0.0006","90","","96.5021","0.0019","90","","2994.16","0.15","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cu2 N4 O32 S4 U2 -","- C48 H48 Cu2 N4 O32 S4 U2 -","- C96 H96 Cu4 N8 O64 S8 U4 -","2","0.5","","Pierre Thuéry","Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate","Inorganic Chemistry","2013","52","","435","447","10.1021/ic3022744","","","0.71073","MoKα","","0.037","0.0271","","","0.0647","0.067","","","","","","1.04","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331770","9.0904","0.0005","11.3426","0.0007","13.3583","0.0007","73.018","0.003","78.884","0.003","67.506","0.002","1211.95","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Cu2 N4 O28 S4 U2 -","- C36 H30 Cu2 N4 O28 S4 U2 -","- C36 H30 Cu2 N4 O28 S4 U2 -","1","0.5","","Pierre Thuéry","Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate","Inorganic Chemistry","2013","52","","435","447","10.1021/ic3022744","","","0.71073","MoKα","","0.0339","0.0265","","","0.0569","0.0585","","","","","","1.014","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331772","31.8326","0.0005","10.7066","0.0002","18.2942","0.0003","90","","96.9464","0.0013","90","","6189.24","0.18","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N4 Ni O17 S2 U -","- C22 H24 N4 Ni O17 S2 U -","- C176 H192 N32 Ni8 O136 S16 U8 -","8","1","","Pierre Thuéry","Sulfonate Complexes of Actinide Ions: Structural Diversity in Uranyl Complexes with 2-Sulfobenzoate","Inorganic Chemistry","2013","52","","435","447","10.1021/ic3022744","","","0.71073","MoKα","","0.0304","0.0245","","","0.0667","0.0686","","","","","","1.057","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331774","16.6357","0.0004","20.3175","0.0004","20.8288","0.0005","90","","109.829","0.001","90","","6622.6","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H30 Fe0.5 N3 O6 P2 -","- C36 H30 Fe0.5 N3 O6 P2 -","- C288 H240 Fe4 N24 O48 P16 -","8","1","","Fu-Te Tsai; Yu-Ching Lee; Ming-Hsi Chiang; Wen-Feng Liaw","Nitrate-to-Nitrite-to-Nitric Oxide Conversion Modulated by Nitrate-Containing {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC)","Inorganic Chemistry","2013","52","","464","473","10.1021/ic3023437","","","0.71073","MoKα","","0.037","0.0289","","","0.0944","0.1209","","","","","","1.162","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331776","17.1157","0.0007","19.5781","0.0008","19.9696","0.0008","90","","90","","90","","6691.7","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H60 Fe N7 O13 P4 -","- C72 H60 Fe N7 O13 P4 -","- C288 H240 Fe4 N28 O52 P16 -","4","1","","Fu-Te Tsai; Yu-Ching Lee; Ming-Hsi Chiang; Wen-Feng Liaw","Nitrate-to-Nitrite-to-Nitric Oxide Conversion Modulated by Nitrate-Containing {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC)","Inorganic Chemistry","2013","52","","464","473","10.1021/ic3023437","","","0.71073","MoKα","","0.0565","0.0465","","","0.1239","0.14","","","","","","1.091","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331778","9.8407","0.0007","11.8917","0.0008","16.5043","0.0012","70.701","0.003","79.615","0.003","83.697","0.003","1790.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Fe N5 O8 P2 -","- C36 H30 Fe N5 O8 P2 -","- C72 H60 Fe2 N10 O16 P4 -","2","1","","Fu-Te Tsai; Yu-Ching Lee; Ming-Hsi Chiang; Wen-Feng Liaw","Nitrate-to-Nitrite-to-Nitric Oxide Conversion Modulated by Nitrate-Containing {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC)","Inorganic Chemistry","2013","52","","464","473","10.1021/ic3023437","","","0.71073","MoKα","","0.0718","0.0506","","","0.135","0.1654","","","","","","1.042","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331780","9.7749","0.0007","11.7024","0.0009","16.6531","0.0012","70.212","0.003","79.947","0.004","83.221","0.004","1761.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Fe N5 O7 P2 -","- C36 H30 Fe N5 O7 P2 -","- C72 H60 Fe2 N10 O14 P4 -","2","1","","Fu-Te Tsai; Yu-Ching Lee; Ming-Hsi Chiang; Wen-Feng Liaw","Nitrate-to-Nitrite-to-Nitric Oxide Conversion Modulated by Nitrate-Containing {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC)","Inorganic Chemistry","2013","52","","464","473","10.1021/ic3023437","","","0.71073","MoKα","","0.069","0.0505","","","0.1284","0.1412","","","","","","1.048","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331781","17.1087","0.0014","19.2498","0.0018","19.8943","0.0018","90","","90","","90","","6552","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H60 Fe N7 O11 P4 -","- C72 H60 Fe N7 O11 P4 -","- C288 H240 Fe4 N28 O44 P16 -","4","1","","Fu-Te Tsai; Yu-Ching Lee; Ming-Hsi Chiang; Wen-Feng Liaw","Nitrate-to-Nitrite-to-Nitric Oxide Conversion Modulated by Nitrate-Containing {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC)","Inorganic Chemistry","2013","52","","464","473","10.1021/ic3023437","","","0.71073","MoKα","","0.0716","0.0532","","","0.1235","0.161","","","","","","1.14","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331783","10.1784","0.0005","16.0459","0.0008","11.2136","0.0005","90","","101.659","0.001","90","","1793.64","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 Fe N4 O3 S4 -","- C10 H20 Fe N4 O3 S4 -","- C40 H80 Fe4 N16 O12 S16 -","4","1","","Fu-Te Tsai; Yu-Ching Lee; Ming-Hsi Chiang; Wen-Feng Liaw","Nitrate-to-Nitrite-to-Nitric Oxide Conversion Modulated by Nitrate-Containing {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC)","Inorganic Chemistry","2013","52","","464","473","10.1021/ic3023437","","","0.71073","MoKα","","0.0297","0.0233","","","0.0513","0.0533","","","","","","1.03","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331784","19.6524","0.0006","21.3716","0.0007","26.7943","0.0009","95.474","0.001","98.128","0.001","115.139","0.001","9932.5","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H210 Mn12 N8 O98 Tb6 -","- C127 H134 Mn12 N8 O71 Tb6 -","- C254 H268 Mn24 N16 O142 Tb12 -","2","1","","Jun-Liang Liu; Wei-Quan Lin; Yan-Cong Chen; Ji-Dong Leng; Fu-Sheng Guo; Ming-Liang Tong","Symmetry-Related [LnIII6MnIII12] Clusters toward Single-Molecule Magnets and Cryogenic Magnetic Refrigerants","Inorganic Chemistry","2013","52","","457","463","10.1021/ic302349f","","","0.71073","MoKα","","0.0974","0.0679","","","0.1714","0.1909","","","","","","0.992","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331786","22.6535","0.0017","37.36","0.003","46.159","0.003","90","","90","","90","","39066","5","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","1-Gd","","","- C122 H190 Gd6 Mn12 N8 O88 -","- C116 H140 Gd6 Mn12 N8 O69 -","- C928 H1120 Gd48 Mn96 N64 O552 -","8","0.25","","Jun-Liang Liu; Wei-Quan Lin; Yan-Cong Chen; Ji-Dong Leng; Fu-Sheng Guo; Ming-Liang Tong","Symmetry-Related [LnIII6MnIII12] Clusters toward Single-Molecule Magnets and Cryogenic Magnetic Refrigerants","Inorganic Chemistry","2013","52","","457","463","10.1021/ic302349f","","","0.71073","MoKα","","0.1099","0.0644","","","0.1684","0.198","","","","","","1.033","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331788","22.837","0.0007","37.3301","0.0012","46.178","0.0015","90","","90","","90","","39367","2","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C123 H194 Mn12 N8 O89 Tb6 -","- C116 H140 Mn12 N8 O69 Tb6 -","- C928 H1120 Mn96 N64 O552 Tb48 -","8","0.25","","Jun-Liang Liu; Wei-Quan Lin; Yan-Cong Chen; Ji-Dong Leng; Fu-Sheng Guo; Ming-Liang Tong","Symmetry-Related [LnIII6MnIII12] Clusters toward Single-Molecule Magnets and Cryogenic Magnetic Refrigerants","Inorganic Chemistry","2013","52","","457","463","10.1021/ic302349f","","","0.71073","MoKα","","0.1117","0.062","","","0.1397","0.1577","","","","","","1.007","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331790","19.5839","0.0011","20.1363","0.001","26.3657","0.0012","81.921","0.001","89.758","0.001","66.47","0.001","9422.7","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","2-Gd","","","- C140 H234 Gd6 Mn12 N8 O100 -","- C128 H140 Gd6 Mn12 N8 O71 -","- C256 H280 Gd12 Mn24 N16 O142 -","2","1","","Jun-Liang Liu; Wei-Quan Lin; Yan-Cong Chen; Ji-Dong Leng; Fu-Sheng Guo; Ming-Liang Tong","Symmetry-Related [LnIII6MnIII12] Clusters toward Single-Molecule Magnets and Cryogenic Magnetic Refrigerants","Inorganic Chemistry","2013","52","","457","463","10.1021/ic302349f","","","0.71073","MoKα","","0.1431","0.1066","","","0.293","0.3259","","","","","","1.169","","","","has coordinates,has disorder","179420","2020-10-21","18:00:00",""
"4331792","14.5886","0.0009","14.5886","0.0009","28.99","0.003","90","","90","","120","","5343.3","0.7","200","2","200","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al3 Ba3 P5 -","- Al3 Ba3 P5 -","- Al54 Ba54 P90 -","18","0.5","","Hua He; Chauntae Tyson; Maia Saito; Svilen Bobev","Synthesis, Crystal and Electronic Structures of the New Zintl phases Ba3Al3Pn5 (Pn= P, As) and Ba3Ga3P5","Inorganic Chemistry","2013","52","","499","505","10.1021/ic302437t","","","0.71073","MoKα","","0.0223","0.0181","","","0.0407","0.0425","","","","","","1.078","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331794","14.613","0.003","14.613","0.003","28.884","0.008","90","","90","","120","","5342","2","200","2","200","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Ba3 Ga3 P5 -","- Ba3 Ga3 P5 -","- Ba54 Ga54 P90 -","18","0.5","","Hua He; Chauntae Tyson; Maia Saito; Svilen Bobev","Synthesis, Crystal and Electronic Structures of the New Zintl phases Ba3Al3Pn5 (Pn= P, As) and Ba3Ga3P5","Inorganic Chemistry","2013","52","","499","505","10.1021/ic302437t","","","0.71073","MoKα","","0.04","0.0273","","","0.0467","0.0505","","","","","","1.037","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331796","14.9727","0.0013","14.9727","0.0013","29.689","0.004","90","","90","","120","","5764","1.1","200","2","200","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Al3 As5 Ba3 -","- Al3 As5 Ba3 -","- Al54 As90 Ba54 -","18","0.5","","Hua He; Chauntae Tyson; Maia Saito; Svilen Bobev","Synthesis, Crystal and Electronic Structures of the New Zintl phases Ba3Al3Pn5 (Pn= P, As) and Ba3Ga3P5","Inorganic Chemistry","2013","52","","499","505","10.1021/ic302437t","","","0.71073","MoKα","","0.0292","0.0217","","","0.0382","0.0403","","","","","","1.038","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331798","9.5949","0.0004","11.7875","0.0004","15.4661","0.0006","90","","90","","90","","1749.21","0.12","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Ga I3 N2 O2 -","- C11 H16 Ga I3 N2 O2 -","- C44 H64 Ga4 I12 N8 O8 -","4","1","","Ahmad El-Hellani; Julien Monot; Régis Guillot; Christophe Bour; Vincent Gandon","Molecular versus Ionic Structures in Adducts of GaX3 with Monodentate Carbon-Based Ligands","Inorganic Chemistry","2013","52","","506","514","10.1021/ic302440g","","x-ray","0.71073","MoKα","","0.0259","0.0202","","","0.036","0.0377","","","","","","1.019","","","","has coordinates","179420","2020-10-21","18:00:00",""
"4331800","14.4493","0.0007","10.1648","0.0004","14.2848","0.0006","90","","110.969","0.001","90","","1959.12","0.15","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H8 Cl3 Ga N2 -","- C5 H8 Cl3 Ga N2 -","- C40 H64 Cl24 Ga8 N16 -","8","1","","Ahmad El-Hellani; Julien Monot; Régis Guillot; Christophe Bour; Vincent Gandon","Molecular versus Ionic Structures in Adducts of GaX3 with Monodentate Carbon-Based Ligands","Inorganic Chemistry","2013","52","","506","514","10.1021/ic302440g","","x-ray","0.71073","MoKα","","0.0386","0.0343","","","0.0955","0.1018","","","","","","1.057","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331802","6.071","0.0012","12.924","0.003","13.592","0.003","90","","93.27","0.006","90","","1064.7","0.4","100","1","100","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H20 Cl6 Ga2 N4 -","- C12 H20 Cl6 Ga2 N4 -","- C24 H40 Cl12 Ga4 N8 -","2","0.5","","Ahmad El-Hellani; Julien Monot; Régis Guillot; Christophe Bour; Vincent Gandon","Molecular versus Ionic Structures in Adducts of GaX3 with Monodentate Carbon-Based Ligands","Inorganic Chemistry","2013","52","","506","514","10.1021/ic302440g","","","0.71073","MoKα","","0.1169","0.0572","","","0.1233","0.1469","","","","","","0.999","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331803","22.605","0.005","13.272","0.005","12.436","0.005","90","","91.346","0.005","90","","3730","2","100","1","100","1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H36 Cl10 Ga2 N4 O4 -","- C24 H36 Cl10 Ga2 N4 O4 -","- C96 H144 Cl40 Ga8 N16 O16 -","4","1","","Ahmad El-Hellani; Julien Monot; Régis Guillot; Christophe Bour; Vincent Gandon","Molecular versus Ionic Structures in Adducts of GaX3 with Monodentate Carbon-Based Ligands","Inorganic Chemistry","2013","52","","506","514","10.1021/ic302440g","","x-ray","0.71069","MoKα","","0.0411","0.0287","","","0.0514","0.0551","","","","","","0.995","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331805","9.4112","0.0004","11.2663","0.0004","15.299","0.0006","90","","90","","90","","1622.14","0.11","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Br3 Ga N2 O2 -","- C11 H16 Br3 Ga N2 O2 -","- C44 H64 Br12 Ga4 N8 O8 -","4","1","","Ahmad El-Hellani; Julien Monot; Régis Guillot; Christophe Bour; Vincent Gandon","Molecular versus Ionic Structures in Adducts of GaX3 with Monodentate Carbon-Based Ligands","Inorganic Chemistry","2013","52","","506","514","10.1021/ic302440g","","x-ray","0.71073","MoKα","","0.0371","0.0251","","","0.0366","0.0381","","","","","","0.964","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331806","12.5082","0.0003","11.5034","0.0003","14.9983","0.0004","90","","93.801","0.001","90","","2153.31","0.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl Ir N2 O -","- C24 H26 Cl Ir N2 O -","- C96 H104 Cl4 Ir4 N8 O4 -","4","1","","Leah A. Wingard; Mathew C. Finniss; Michael Norris; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Synthesis, Structure, and Reactivity of Iridium(III) Complexes Containing a 4,6-Dimethyl-1,3-benzenediphenylimine Pincer Ligand","Inorganic Chemistry","2013","52","","515","526","10.1021/ic302589b","","","1.54184","CuKα","","0.0264","0.0262","","","0.0671","0.0672","","","","","","1.234","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331808","11.7273","0.0003","16.9263","0.0004","17.7219","0.0004","90","","95.452","0.001","90","","3501.88","0.15","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H39 Cl Ir N2 P -","- C42 H39 Cl Ir N2 P -","- C168 H156 Cl4 Ir4 N8 P4 -","4","1","","Leah A. Wingard; Mathew C. Finniss; Michael Norris; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Synthesis, Structure, and Reactivity of Iridium(III) Complexes Containing a 4,6-Dimethyl-1,3-benzenediphenylimine Pincer Ligand","Inorganic Chemistry","2013","52","","515","526","10.1021/ic302589b","","","1.54184","CuKα","","0.026","0.0235","","","0.0585","0.06","","","","","","1.048","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331809","10.3583","0.0002","10.4763","0.0002","12.0455","0.0003","73.823","0.001","83.534","0.001","62.683","0.001","1115.21","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Ir N2 O2 -","- C26 H27 Ir N2 O2 -","- C52 H54 Ir2 N4 O4 -","2","1","","Leah A. Wingard; Mathew C. Finniss; Michael Norris; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Synthesis, Structure, and Reactivity of Iridium(III) Complexes Containing a 4,6-Dimethyl-1,3-benzenediphenylimine Pincer Ligand","Inorganic Chemistry","2013","52","","515","526","10.1021/ic302589b","","","1.54184","CuKα","","0.031","0.0308","","","0.0725","0.0727","","","","","","1.183","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331811","8.9633","0.0002","11.9394","0.0002","12.6935","0.0002","82.383","0.001","84.252","0.001","85.714","0.001","1337.05","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 B F4 Ir N4 -","- C28 H30 B F4 Ir N4 -","- C56 H60 B2 F8 Ir2 N8 -","2","1","","Leah A. Wingard; Mathew C. Finniss; Michael Norris; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Synthesis, Structure, and Reactivity of Iridium(III) Complexes Containing a 4,6-Dimethyl-1,3-benzenediphenylimine Pincer Ligand","Inorganic Chemistry","2013","52","","515","526","10.1021/ic302589b","","","1.54178","CuKα","","0.0419","0.0353","","","0.0829","0.0867","","","","","","1.078","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4331812","26.002","0.0006","11.7258","0.0003","16.4472","0.0004","90","","100.461","0.002","90","","4931.3","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 B F4 Ir N2 O2 -","- C24 H28 B F4 Ir N2 O2 -","- C192 H224 B8 F32 Ir8 N16 O16 -","8","2","","Leah A. Wingard; Mathew C. Finniss; Michael Norris; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Synthesis, Structure, and Reactivity of Iridium(III) Complexes Containing a 4,6-Dimethyl-1,3-benzenediphenylimine Pincer Ligand","Inorganic Chemistry","2013","52","","515","526","10.1021/ic302589b","","","0.71073","MoKα","","0.0538","0.0409","","","0.096","0.1036","","","","","","1.038","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4333515","8.5855","0.0002","23.4736","0.0007","13.1607","0.0004","90","","100.066","0.002","90","","2611.48","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Au N O3 -","- C31 H29 Au N O3 -","- C124 H116 Au4 N4 O12 -","4","1","","Vonika Ka-Man Au; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Metallogels of Bis-Cyclometalated Alkynylgold(III) Complexes","Inorganic Chemistry","2013","52","","558","567","10.1021/ic3007519","","","0.71073","MoKα","","0.052","0.0357","","","0.0848","0.092","","","","","","1.032","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333516","17.1549","0.0007","14.2495","0.0006","13.0516","0.0006","90","","100.806","0.001","90","","3133.9","0.2","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Au N O3 -","- C36 H38 Au N O3 -","- C144 H152 Au4 N4 O12 -","4","1","","Vonika Ka-Man Au; Nianyong Zhu; Vivian Wing-Wah Yam","Luminescent Metallogels of Bis-Cyclometalated Alkynylgold(III) Complexes","Inorganic Chemistry","2013","52","","558","567","10.1021/ic3007519","","","0.71073","MoKα","","0.025","0.0182","","","0.041","0.0433","","","","","","1.069","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333517","7.7505","0.0004","8.7347","0.0005","10.0852","0.0006","90","","89.398","0.002","90","","682.71","0.07","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cs[N(SO2F)2]","","","- Cs F2 N O4 S2 -","- Cs F2 N O4 S2 -","- Cs4 F8 N4 O16 S8 -","4","1","","Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara","Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs)","Inorganic Chemistry","2013","52","","568","576","10.1021/ic3010486","","","0.71073","MoKα","","0.0372","0.0356","","","0.0865","0.088","","","","","","1.064","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333518","7.6219","0.0005","8.6364","0.0007","10.0207","0.0008","90","","91.225","0.002","90","","659.47","0.09","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cs[N(SO2F)2]","","","- Cs F2 N O4 S2 -","- Cs F2 N O4 S2 -","- Cs4 F8 N4 O16 S8 -","4","1","","Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara","Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs)","Inorganic Chemistry","2013","52","","568","576","10.1021/ic3010486","","","0.71073","MoKα","","0.0405","0.0384","","","0.0952","0.0965","","","","","","1.114","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333519","12.0147","0.0002","14.315","0.0003","14.356","0.0003","90","","90","","90","","2469.09","0.08","298","","298","","","","","","","","","5","P c a b","-P 2bc 2ac","61","K[N(SO2F)2]","","","- F2 K N O4 S2 -","- F2 K N O4 S2 -","- F32 K16 N16 O64 S32 -","16","2","","Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara","Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs)","Inorganic Chemistry","2013","52","","568","576","10.1021/ic3010486","","","0.71073","MoKα","","0.035","0.0292","","","0.0763","0.0799","","","","","","1.101","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333520","11.9661","0.0003","13.912","0.0004","14.3913","0.0005","90","","90","","90","","2395.75","0.12","113","","113","","","","","","","","","5","P c a b","-P 2bc 2ac","61","K[N(SO2F)2]","","","- F2 K N O4 S2 -","- F2 K N O4 S2 -","- F32 K16 N16 O64 S32 -","16","2","","Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara","Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs)","Inorganic Chemistry","2013","52","","568","576","10.1021/ic3010486","","","0.71073","MoKα","","0.0239","0.0229","","","0.0623","0.0628","","","","","","1.116","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333521","20.884","0.002","5.5239","0.0006","14.4372","0.0018","90","","132.739","0.006","90","","1223.2","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","K[N(SO2F)2]","","","- F2 K N O4 S2 -","- F2 K N O4 S2 -","- F16 K8 N8 O32 S16 -","8","2","","Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara","Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs)","Inorganic Chemistry","2013","52","","568","576","10.1021/ic3010486","","","0.71073","MoKα","","0.0895","0.0748","","","0.1723","0.1763","","","","","","1.249","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333522","20.6477","0.0009","5.4979","0.0004","14.1674","0.0009","90","","132.457","0.003","90","","1186.56","0.14","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","K[N(SO2F)2]","","","- F2 K N O4 S2 -","- F2 K N O4 S2 -","- F16 K8 N8 O32 S16 -","8","2","","Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara","Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs)","Inorganic Chemistry","2013","52","","568","576","10.1021/ic3010486","","","0.71073","MoKα","","0.0724","0.0679","","","0.1571","0.1585","","","","","","1.302","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333523","9.2834","0.0012","11.9861","0.0011","10.6184","0.0012","90","","98.413","0.004","90","","1168.8","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Na[N(SO2F)2]","","","- F2 N Na O4 S2 -","- F2 N Na O4 S2 -","- F16 N8 Na8 O32 S16 -","8","2","","Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara","Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs)","Inorganic Chemistry","2013","52","","568","576","10.1021/ic3010486","","","0.71073","MoKα","","0.0634","0.0536","","","0.1442","0.149","","","","","","1.189","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333524","9.3056","0.0009","11.9158","0.0008","10.4106","0.0008","90","","98.457","0.003","90","","1141.81","0.16","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Na[N(SO2F)2]","","","- F2 N Na O4 S2 -","- F2 N Na O4 S2 -","- F16 N8 Na8 O32 S16 -","8","2","","Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara","Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs)","Inorganic Chemistry","2013","52","","568","576","10.1021/ic3010486","","","0.71073","MoKα","","0.0509","0.0432","","","0.1115","0.1137","","","","","","1.145","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333525","9.8999","0.0018","9.135","0.002","7.3737","0.0017","90","","119.544","0.013","90","","580.1","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Na[N(SO2F)2]","","","- F2 N Na O4 S2 -","- F2 N Na O4 S2 -","- F8 N4 Na4 O16 S8 -","4","1","","Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara","Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs)","Inorganic Chemistry","2013","52","","568","576","10.1021/ic3010486","","","0.71073","MoKα","","0.0317","0.0298","","","0.0828","0.0841","","","","","","1.076","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333526","9.8209","0.0005","9.105","0.0004","7.3238","0.0004","90","","119.814","0.003","90","","568.21","0.05","113","","113","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Na[N(SO2F)2]","","","- F2 N Na O4 S2 -","- F2 N Na O4 S2 -","- F8 N4 Na4 O16 S8 -","4","1","","Kazuhiko Matsumoto; Takaaki Oka; Toshiyuki Nohira; Rika Hagiwara","Polymorphism of Alkali Bis(fluorosulfonyl)amides (M[N(SO2F)2], M = Na, K, and Cs)","Inorganic Chemistry","2013","52","","568","576","10.1021/ic3010486","","","0.71073","MoKα","","0.0288","0.0275","","","0.0763","0.077","","","","","","1.139","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333527","28.467","0.006","28.594","0.006","12.96","0.003","90","","90","","90","","10549","4","95","2","95","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C36 H36 Li4 N4 O10 -","- C36 H27 Li4 N4 O10 -","- C288 H216 Li32 N32 O80 -","8","1","","Tae Kyung Kim; Jae Hwa Lee; Dohyun Moon; Hoi Ri Moon","Luminescent Li-Based Metal-Organic Framework Tailored for the Selective Detection of Explosive Nitroaromatic Compounds: Direct Observation of Interaction Sites","Inorganic Chemistry","2013","52","","589","595","10.1021/ic3011458","","","0.74999","synchrotron","","0.0884","0.0862","","","0.2447","0.2489","","","","","","1.07","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333528","28.71","0.006","28.737","0.006","12.883","0.003","90","","90","","90","","10629","4","95","2","95","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C36 H31 Li4 N3 O12 -","- C36 H27 Li4 N3 O12 -","- C288 H216 Li32 N24 O96 -","8","1","","Tae Kyung Kim; Jae Hwa Lee; Dohyun Moon; Hoi Ri Moon","Luminescent Li-Based Metal-Organic Framework Tailored for the Selective Detection of Explosive Nitroaromatic Compounds: Direct Observation of Interaction Sites","Inorganic Chemistry","2013","52","","589","595","10.1021/ic3011458","","","0.9","synchrotron","","0.2087","0.1906","","","0.4563","0.4817","","","","","","2.042","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333529","10.1828","0.0006","13.9182","0.0008","12.8693","0.0007","90","","112.509","0.003","90","","1684.97","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 Pt -","- C24 H16 N2 Pt -","- C96 H64 N8 Pt4 -","4","1","","D. Paul Rillema; Arvin J. Cruz; Curtis Moore; Khamis Siam; A. Jehan; Derek Base; T. Nguyen; Wei Huang","Electronic and Photophysical Properties of Platinum(II) Biphenyl Complexes Containing 2,2'-Bipyridine and 1,10-Phenanthroline Ligands","Inorganic Chemistry","2013","52","","596","607","10.1021/ic301393e","","","0.71073","MoKα","","0.0193","0.0156","","","0.0335","0.0347","","","","","","1.059","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333530","38.6769","0.0007","38.6769","0.0007","9.7217","0.0004","90","","90","","90","","14542.7","0.7","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C23 H18 Cl2 N2 Pt -","- C22 H16 N2 Pt -","- C704 H512 N64 Pt32 -","32","2","","D. Paul Rillema; Arvin J. Cruz; Curtis Moore; Khamis Siam; A. Jehan; Derek Base; T. Nguyen; Wei Huang","Electronic and Photophysical Properties of Platinum(II) Biphenyl Complexes Containing 2,2'-Bipyridine and 1,10-Phenanthroline Ligands","Inorganic Chemistry","2013","52","","596","607","10.1021/ic301393e","","","0.71073","MoKα","","0.0852","0.0552","","","0.1204","0.1301","","","","","","1.057","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333531","20.265","0.003","27.289","0.005","13.671","0.002","90","","90","","90","","7560","2","150","2","150","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C36.5 H56 Cl N3 Ni O2 -","- C36 H54 N3 Ni O2 -","- C288 H432 N24 Ni8 O16 -","8","0.5","","Mark Franks; Anastasia Gadzhieva; Laura Ghandhi; David Murrell; Alexander J. Blake; E. Stephen Davies; William Lewis; Fabrizio Moro; Jonathan McMaster; Martin Schröder","Five Coordinate M(II)-Diphenolate [M = Zn(II), Ni(II), and Cu(II)] Schiff Base Complexes Exhibiting Metal- and Ligand-Based Redox Chemistry","Inorganic Chemistry","2013","52","","660","670","10.1021/ic301731w","","","0.71073","MoKα","","0.0516","0.0435","","","0.125","0.13","","","","","","1.06","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333532","15.228","0.0008","20.0027","0.001","12.2134","0.0006","90","","102.479","0.002","90","","3632.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H57 N3 O2 Zn -","- C37 H57 N3 O2 Zn -","- C148 H228 N12 O8 Zn4 -","4","1","","Mark Franks; Anastasia Gadzhieva; Laura Ghandhi; David Murrell; Alexander J. Blake; E. Stephen Davies; William Lewis; Fabrizio Moro; Jonathan McMaster; Martin Schröder","Five Coordinate M(II)-Diphenolate [M = Zn(II), Ni(II), and Cu(II)] Schiff Base Complexes Exhibiting Metal- and Ligand-Based Redox Chemistry","Inorganic Chemistry","2013","52","","660","670","10.1021/ic301731w","","","0.71073","MoKα","","0.0359","0.0315","","","0.083","0.0861","","","","","","1.04","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333533","26.0902","0.001","26.0902","0.001","20.9852","0.0016","90","","90","","90","","14284.6","1.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36.25 H55.5 Cl0.5 N3 O2 Zn -","- C36.25 H55.5 Cl0.5 N3 O2 Zn -","- C580 H888 Cl8 N48 O32 Zn16 -","16","1","","Mark Franks; Anastasia Gadzhieva; Laura Ghandhi; David Murrell; Alexander J. Blake; E. Stephen Davies; William Lewis; Fabrizio Moro; Jonathan McMaster; Martin Schröder","Five Coordinate M(II)-Diphenolate [M = Zn(II), Ni(II), and Cu(II)] Schiff Base Complexes Exhibiting Metal- and Ligand-Based Redox Chemistry","Inorganic Chemistry","2013","52","","660","670","10.1021/ic301731w","","","0.71073","MoKα","","0.0911","0.0496","","","0.111","0.138","","","","","","1.03","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333534","18.7143","0.0006","10.7572","0.0002","19.8843","0.0006","90","","114.466","0.003","90","","3643.54","0.19","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H57 B F4 N3 Ni O2 -","- C37 H57 B F4 N3 Ni O2 -","- C148 H228 B4 F16 N12 Ni4 O8 -","4","1","","Mark Franks; Anastasia Gadzhieva; Laura Ghandhi; David Murrell; Alexander J. Blake; E. Stephen Davies; William Lewis; Fabrizio Moro; Jonathan McMaster; Martin Schröder","Five Coordinate M(II)-Diphenolate [M = Zn(II), Ni(II), and Cu(II)] Schiff Base Complexes Exhibiting Metal- and Ligand-Based Redox Chemistry","Inorganic Chemistry","2013","52","","660","670","10.1021/ic301731w","","","1.54184","CuKα","","0.0598","0.0509","","","0.1291","0.1372","","","","","","1.022","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333535","20.9576","0.0015","27.4967","0.0019","13.3106","0.0009","90","","90","","90","","7670.4","0.9","150","2","150","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C37.5 H56 Cl N3 Ni O2 -","- C37 H55 N3 Ni O2 -","- C296 H440 N24 Ni8 O16 -","8","0.5","","Mark Franks; Anastasia Gadzhieva; Laura Ghandhi; David Murrell; Alexander J. Blake; E. Stephen Davies; William Lewis; Fabrizio Moro; Jonathan McMaster; Martin Schröder","Five Coordinate M(II)-Diphenolate [M = Zn(II), Ni(II), and Cu(II)] Schiff Base Complexes Exhibiting Metal- and Ligand-Based Redox Chemistry","Inorganic Chemistry","2013","52","","660","670","10.1021/ic301731w","","","0.71073","MoKα","","0.0843","0.0806","","","0.1738","0.1756","","","","","","1.321","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4333536","15.2922","0.0002","19.9861","0.0003","12.0354","0.0002","90","","102.148","0.001","90","","3596.03","0.09","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H57 Cu N3 O2 -","- C37 H57 Cu N3 O2 -","- C148 H228 Cu4 N12 O8 -","4","1","","Mark Franks; Anastasia Gadzhieva; Laura Ghandhi; David Murrell; Alexander J. Blake; E. Stephen Davies; William Lewis; Fabrizio Moro; Jonathan McMaster; Martin Schröder","Five Coordinate M(II)-Diphenolate [M = Zn(II), Ni(II), and Cu(II)] Schiff Base Complexes Exhibiting Metal- and Ligand-Based Redox Chemistry","Inorganic Chemistry","2013","52","","660","670","10.1021/ic301731w","","","0.71073","MoKα","","0.0308","0.029","","","0.0784","0.0798","","","","","","1.061","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333537","26.0367","0.0017","26.0367","0.0017","20.857","0.003","90","","90","","90","","14139","2","90","2","90","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C36.25 H56 Cu N3 O2.25 -","- C36 H55 Cu N3 O2 -","- C576 H880 Cu16 N48 O32 -","16","1","","Mark Franks; Anastasia Gadzhieva; Laura Ghandhi; David Murrell; Alexander J. Blake; E. Stephen Davies; William Lewis; Fabrizio Moro; Jonathan McMaster; Martin Schröder","Five Coordinate M(II)-Diphenolate [M = Zn(II), Ni(II), and Cu(II)] Schiff Base Complexes Exhibiting Metal- and Ligand-Based Redox Chemistry","Inorganic Chemistry","2013","52","","660","670","10.1021/ic301731w","","","0.71073","MoKα","","0.0809","0.0582","","","0.1243","0.1334","","","","","","1.034","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333538","13.724","0.006","14.244","0.006","17.61","0.007","90.315","0.006","107.851","0.005","112.456","0.006","2999","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 Na11 O113 Re2 Sb2 W20 -","- C6 Na11 O113 Re2 Sb2 W20 -","- C6 Na11 O113 Re2 Sb2 W20 -","1","0.5","","Chongchao Zhao; Choon Sung Kambara; Ye Yang; Alexey L. Kaledin; Djamaladdin G. Musaev; Tianquan Lian; Craig L. Hill","Synthesis, Structures, and Photochemistry of Tricarbonyl Metal Polyoxoanion Complexes, [X2W20O70{M(CO)3}2]12- (X = Sb, Bi and M = Re, Mn)","Inorganic Chemistry","2013","52","","671","678","10.1021/ic301766b","","","0.71073","MoKα","","0.0873","0.0575","","","0.1328","0.1472","","","","","","1.038","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333539","13.672","0.003","14.815","0.003","15.385","0.003","103.492","0.003","106.042","0.003","104.397","0.003","2743.9","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 Bi2 Na11 O103 Re2 W20 -","- C6 Bi2 Na11 O103 Re2 W20 -","- C6 Bi2 Na11 O103 Re2 W20 -","1","0.5","","Chongchao Zhao; Choon Sung Kambara; Ye Yang; Alexey L. Kaledin; Djamaladdin G. Musaev; Tianquan Lian; Craig L. Hill","Synthesis, Structures, and Photochemistry of Tricarbonyl Metal Polyoxoanion Complexes, [X2W20O70{M(CO)3}2]12- (X = Sb, Bi and M = Re, Mn)","Inorganic Chemistry","2013","52","","671","678","10.1021/ic301766b","","","0.71073","MoKα","","0.0579","0.0442","","","0.1213","0.1307","","","","","","1.037","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333540","12.4433","0.001","13.0947","0.001","15.8076","0.0013","83.375","0.001","74.307","0.001","75.043","0.001","2392.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 K9 Mn2 Na3 O83 Sb2 W20 -","- C6 K9 Mn2 Na3 O83 Sb2 W20 -","- C6 K9 Mn2 Na3 O83 Sb2 W20 -","1","0.5","","Chongchao Zhao; Choon Sung Kambara; Ye Yang; Alexey L. Kaledin; Djamaladdin G. Musaev; Tianquan Lian; Craig L. Hill","Synthesis, Structures, and Photochemistry of Tricarbonyl Metal Polyoxoanion Complexes, [X2W20O70{M(CO)3}2]12- (X = Sb, Bi and M = Re, Mn)","Inorganic Chemistry","2013","52","","671","678","10.1021/ic301766b","","","0.71073","MoKα","","0.0651","0.0487","","","0.1177","0.1253","","","","","","1.062","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333541","12.446","0.003","13.089","0.003","15.723","0.004","82.883","0.004","73.81","0.004","74.75","0.003","2369.6","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 Bi2 K9 Mn2 Na3 O99 W20 -","- C6 Bi2 K9 Mn2 Na3 O99 W20 -","- C6 Bi2 K9 Mn2 Na3 O99 W20 -","1","0.5","","Chongchao Zhao; Choon Sung Kambara; Ye Yang; Alexey L. Kaledin; Djamaladdin G. Musaev; Tianquan Lian; Craig L. Hill","Synthesis, Structures, and Photochemistry of Tricarbonyl Metal Polyoxoanion Complexes, [X2W20O70{M(CO)3}2]12- (X = Sb, Bi and M = Re, Mn)","Inorganic Chemistry","2013","52","","671","678","10.1021/ic301766b","","","0.71073","MoKα","","0.0764","0.0584","","","0.1521","0.1644","","","","","","1.032","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333542","9.2397","0.0007","17.2128","0.0014","13.249","0.001","90","","98.59","0.002","90","","2083.5","0.3","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl2 Fe N4 O -","- C19 H26 Cl2 Fe N4 O -","- C76 H104 Cl8 Fe4 N16 O4 -","4","1","","Nathalie Ségaud; Jean-Noël Rebilly; Katell Sénéchal-David; Régis Guillot; Laurianne Billon; Jean-Pierre Baltaze; Jonathan Farjon; Olivia Reinaud; Frédéric Banse","Iron Coordination Chemistry with New Ligands Containing Triazole and Pyridine Moieties. Comparison of the Coordination Ability of the N-Donors","Inorganic Chemistry","2013","52","","691","700","10.1021/ic301834x","","x-ray","0.71073","MoKα","","0.0857","0.0386","","","0.0713","0.0833","","","","","","1.013","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333543","8.5292","0.0003","12.7218","0.0005","14.5089","0.0006","94.089","0.002","106.403","0.002","107.687","0.002","1417.43","0.1","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C25 H33 Cl F6 Fe N5 O2 P -","- C25 H33 Cl F6 Fe N5 O2 P -","- C50 H66 Cl2 F12 Fe2 N10 O4 P2 -","2","1","","Nathalie Ségaud; Jean-Noël Rebilly; Katell Sénéchal-David; Régis Guillot; Laurianne Billon; Jean-Pierre Baltaze; Jonathan Farjon; Olivia Reinaud; Frédéric Banse","Iron Coordination Chemistry with New Ligands Containing Triazole and Pyridine Moieties. Comparison of the Coordination Ability of the N-Donors","Inorganic Chemistry","2013","52","","691","700","10.1021/ic301834x","","","0.71073","MoKα","","0.0704","0.0515","","","0.1352","0.1507","","","","","","1.057","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333544","15.309","0.0004","17.8732","0.0005","13.6062","0.0003","90","","96.625","0.001","90","","3698.08","0.16","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 F12 Fe N8 O3 P2 -","- C32 H40 F12 Fe N8 O3 P2 -","- C128 H160 F48 Fe4 N32 O12 P8 -","4","1","","Nathalie Ségaud; Jean-Noël Rebilly; Katell Sénéchal-David; Régis Guillot; Laurianne Billon; Jean-Pierre Baltaze; Jonathan Farjon; Olivia Reinaud; Frédéric Banse","Iron Coordination Chemistry with New Ligands Containing Triazole and Pyridine Moieties. Comparison of the Coordination Ability of the N-Donors","Inorganic Chemistry","2013","52","","691","700","10.1021/ic301834x","","x-ray","0.71073","MoKα","","0.1016","0.0794","","","0.2207","0.2429","","","","","","1.038","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333545","8.0619","0.0005","31.617","0.0018","10.9518","0.0006","90","","93.623","0.001","90","","2786","0.3","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 Cl F6 Fe N5 O P -","- C25 H31 Cl F6 Fe N5 O P -","- C100 H124 Cl4 F24 Fe4 N20 O4 P4 -","4","1","","Nathalie Ségaud; Jean-Noël Rebilly; Katell Sénéchal-David; Régis Guillot; Laurianne Billon; Jean-Pierre Baltaze; Jonathan Farjon; Olivia Reinaud; Frédéric Banse","Iron Coordination Chemistry with New Ligands Containing Triazole and Pyridine Moieties. Comparison of the Coordination Ability of the N-Donors","Inorganic Chemistry","2013","52","","691","700","10.1021/ic301834x","","","0.71073","MoKα","","0.0799","0.0575","","","0.1434","0.1521","","","","","","1.067","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333546","38.818","0.003","8.5013","0.0006","19.9136","0.0018","90","","110.279","0.002","90","","6164.2","0.9","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H27 F6 Fe N5 O6 S2 -","- C26 H27 F6 Fe N5 O6 S2 -","- C208 H216 F48 Fe8 N40 O48 S16 -","8","1","","Nathalie Ségaud; Jean-Noël Rebilly; Katell Sénéchal-David; Régis Guillot; Laurianne Billon; Jean-Pierre Baltaze; Jonathan Farjon; Olivia Reinaud; Frédéric Banse","Iron Coordination Chemistry with New Ligands Containing Triazole and Pyridine Moieties. Comparison of the Coordination Ability of the N-Donors","Inorganic Chemistry","2013","52","","691","700","10.1021/ic301834x","","","0.71073","MoKα","","0.0969","0.0436","","","0.0831","0.101","","","","","","1.004","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333547","13.2372","0.0004","14.9013","0.0004","18.0213","0.0006","90","","90","","90","","3554.73","0.19","100","1","100","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","C31 H34 Fe N8 O, 2(F6 P)","","","- C31 H34 F12 Fe N8 O P2 -","- C31 H34 F12 Fe N8 O P2 -","- C124 H136 F48 Fe4 N32 O4 P8 -","4","1","","Nathalie Ségaud; Jean-Noël Rebilly; Katell Sénéchal-David; Régis Guillot; Laurianne Billon; Jean-Pierre Baltaze; Jonathan Farjon; Olivia Reinaud; Frédéric Banse","Iron Coordination Chemistry with New Ligands Containing Triazole and Pyridine Moieties. Comparison of the Coordination Ability of the N-Donors","Inorganic Chemistry","2013","52","","691","700","10.1021/ic301834x","","","0.71073","MoKα","","0.0677","0.0524","","","0.1218","0.132","","","","","","1.028","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333548","8.4435","0.0007","19.6022","0.0015","22.671","0.0018","90","","90.807","0.005","90","","3751.9","0.5","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H58 Cl2 Co2 N2 O P2 -","- C34 H58 Cl2 Co2 N2 O P2 -","- C136 H232 Cl8 Co8 N8 O4 P8 -","4","1","","Ramyaa Mathialagan; Subramaniam Kuppuswamy; Alexandra T. De Denko; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Metal-Metal Bonding in Low-Coordinate Dicobalt Complexes Supported by Phosphinoamide Ligands","Inorganic Chemistry","2013","52","","701","706","10.1021/ic3018375","","","0.71073","MoKα","","0.0583","0.0372","","0.0847","0.0779","0.0847","","","","","","0.9865","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333549","9.2673","0.0003","21.1143","0.0007","21.1748","0.0007","71.024","0.002","88.342","0.002","80.705","0.002","3865.5","0.2","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C34 H58 Co2 I2 N2 O P2 -","- C34 H58 Co2 I2 N2 O P2 -","- C136 H232 Co8 I8 N8 O4 P8 -","4","2","","Ramyaa Mathialagan; Subramaniam Kuppuswamy; Alexandra T. De Denko; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Metal-Metal Bonding in Low-Coordinate Dicobalt Complexes Supported by Phosphinoamide Ligands","Inorganic Chemistry","2013","52","","701","706","10.1021/ic3018375","","","0.71073","MoKα","","0.0451","0.0285","","0.0637","0.0582","0.0637","","","","","","0.9598","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4333550","8.771","0.0005","11.5687","0.0006","12.0272","0.0006","106.184","0.002","105.84","0.002","110.519","0.002","1000.13","0.1","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H68 Co2 N2 P4 -","- C36 H68 Co2 N2 P4 -","- C36 H68 Co2 N2 P4 -","1","0.5","","Ramyaa Mathialagan; Subramaniam Kuppuswamy; Alexandra T. De Denko; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Metal-Metal Bonding in Low-Coordinate Dicobalt Complexes Supported by Phosphinoamide Ligands","Inorganic Chemistry","2013","52","","701","706","10.1021/ic3018375","","","0.71073","MoKα","","0.0221","0.0203","","0.0524","0.0506","0.0524","","","","","","1.0088","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333551","11.0817","0.0016","12.3347","0.0016","18.134","0.003","87.776","0.009","78.776","0.009","64.197","0.008","2185.9","0.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H67 Co2 F6 N2 O P4 -","- C37 H67 Co2 F6 N2 O P4 -","- C74 H134 Co4 F12 N4 O2 P8 -","2","1","","Ramyaa Mathialagan; Subramaniam Kuppuswamy; Alexandra T. De Denko; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Metal-Metal Bonding in Low-Coordinate Dicobalt Complexes Supported by Phosphinoamide Ligands","Inorganic Chemistry","2013","52","","701","706","10.1021/ic3018375","","","0.71073","MoKα","","0.0693","0.0412","","0.0785","0.0718","0.0785","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333552","13.5483","0.0005","17.8864","0.0007","15.7826","0.0006","90","","105.626","0.002","90","","3683.2","0.2","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H60 Co F6 N O P5 -","- C28 H60 Co F6 N O P5 -","- C112 H240 Co4 F24 N4 O4 P20 -","4","1","","Ramyaa Mathialagan; Subramaniam Kuppuswamy; Alexandra T. De Denko; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Metal-Metal Bonding in Low-Coordinate Dicobalt Complexes Supported by Phosphinoamide Ligands","Inorganic Chemistry","2013","52","","701","706","10.1021/ic3018375","","","0.71073","MoKα","","0.0672","0.0372","","0.0786","0.0706","0.0786","","","","","","0.9998","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333553","3.896","0.002","12.731","0.007","15.77","0.009","90","","90","","90","","782.2","0.7","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- In8 Mn4 Pb4 S20 -","- In8.036 Mn3.964 Pb4 S20 -","- In8.036 Mn3.964 Pb4 S20 -","1","0.0625","","Peng Yu; Li-Ming Wu; Ling Chen","PbMnIn2S5: Synthesis, Structure, and Properties","Inorganic Chemistry","2013","52","","724","728","10.1021/ic3018584","","","0.71073","MoKα","","0.0215","0.0215","","","0.0533","0.0533","","","","","","1.107","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333554","12.41","0.004","14.622","0.004","23.418","0.007","82.18","0.004","82.853","0.003","85.706","0.004","4170","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[(SIDipp)Au(CNtBu)][SbF6]","","","- C34 H51 Au Cl4 F6 N3 Sb -","- C34 H51 Au Cl4 F6 N3 Sb -","- C136 H204 Au4 Cl16 F24 N12 Sb4 -","4","2","","Mehmet Ali Celik; Chandrakanta Dash; Venkata A. K. Adiraju; Animesh Das; Muhammed Yousufuddin; Gernot Frenking; H. V. Rasika Dias","End-On and Side-On π-Acid Ligand Adducts of Gold(I): Carbonyl, Cyanide, Isocyanide, and Cyclooctyne Gold(I) Complexes Supported by N-Heterocyclic Carbenes and Phosphines","Inorganic Chemistry","2013","52","","729","742","10.1021/ic301869v","","","0.71073","MoKα","","0.0423","0.0353","","","0.0919","0.0965","","","","","","1.052","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333555","12.1018","0.0009","28.89","0.002","16.0447","0.0012","90","","90.694","0.001","90","","5609.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(Mes3P)2Au][Au(CN)2]","","","- C58 H70 Au2 Cl4 N2 P2 -","- C58 H70 Au2 Cl4 N2 P2 -","- C232 H280 Au8 Cl16 N8 P8 -","4","1","","Mehmet Ali Celik; Chandrakanta Dash; Venkata A. K. Adiraju; Animesh Das; Muhammed Yousufuddin; Gernot Frenking; H. V. Rasika Dias","End-On and Side-On π-Acid Ligand Adducts of Gold(I): Carbonyl, Cyanide, Isocyanide, and Cyclooctyne Gold(I) Complexes Supported by N-Heterocyclic Carbenes and Phosphines","Inorganic Chemistry","2013","52","","729","742","10.1021/ic301869v","","","0.71073","MoKα","","0.0757","0.0596","","","0.13","0.1351","","","","","","1.222","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333556","8.15","0.008","16.321","0.017","23.29","0.02","90","","90","","90","","3098","5","100","2","100","2","","","","","","","","5","P b c m","-P 2c 2b","57","[(SIDipp)Au(CN)]","","","- C29 H40 Au Cl2 N3 -","- C29 H40 Au Cl2 N3 -","- C116 H160 Au4 Cl8 N12 -","4","0.5","","Mehmet Ali Celik; Chandrakanta Dash; Venkata A. K. Adiraju; Animesh Das; Muhammed Yousufuddin; Gernot Frenking; H. V. Rasika Dias","End-On and Side-On π-Acid Ligand Adducts of Gold(I): Carbonyl, Cyanide, Isocyanide, and Cyclooctyne Gold(I) Complexes Supported by N-Heterocyclic Carbenes and Phosphines","Inorganic Chemistry","2013","52","","729","742","10.1021/ic301869v","","","0.71073","MoKα","","0.0365","0.0306","","","0.0735","0.0761","","","","","","1.103","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333557","14.1827","0.0009","14.4496","0.0009","22.4045","0.0011","90","","120.917","0.003","90","","3939.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(SIDipp)Au(cyclooctyne)][SbF6]","","","- C36 H52 Au Cl2 F6 N2 Sb -","- C36 H52 Au Cl2 F6 N2 Sb -","- C144 H208 Au4 Cl8 F24 N8 Sb4 -","4","1","","Mehmet Ali Celik; Chandrakanta Dash; Venkata A. K. Adiraju; Animesh Das; Muhammed Yousufuddin; Gernot Frenking; H. V. Rasika Dias","End-On and Side-On π-Acid Ligand Adducts of Gold(I): Carbonyl, Cyanide, Isocyanide, and Cyclooctyne Gold(I) Complexes Supported by N-Heterocyclic Carbenes and Phosphines","Inorganic Chemistry","2013","52","","729","742","10.1021/ic301869v","","","0.71073","MoKα","","0.0424","0.0333","","","0.0808","0.0849","","","","","","1.062","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333558","11.8942","0.0013","15.9993","0.0018","19.68","0.002","79.001","0.001","86.028","0.001","77.996","0.001","3594.2","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[(Mes3P)Au(cyclooctyne)][SbF6]","","","- C35.5 H46 Au Cl F6 P Sb -","- C35.5 H46 Au Cl F6 P Sb -","- C142 H184 Au4 Cl4 F24 P4 Sb4 -","4","2","","Mehmet Ali Celik; Chandrakanta Dash; Venkata A. K. Adiraju; Animesh Das; Muhammed Yousufuddin; Gernot Frenking; H. V. Rasika Dias","End-On and Side-On π-Acid Ligand Adducts of Gold(I): Carbonyl, Cyanide, Isocyanide, and Cyclooctyne Gold(I) Complexes Supported by N-Heterocyclic Carbenes and Phosphines","Inorganic Chemistry","2013","52","","729","742","10.1021/ic301869v","","","0.71073","MoKα","","0.0705","0.0506","","","0.1283","0.1393","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333559","9.5679","0.0005","11.3093","0.0006","11.4263","0.0006","61.365","0.001","73.848","0.001","73.137","0.001","1024.16","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Eu2 N22 O18 -","- C26 H20 Eu2 N22 O18 -","- C26 H20 Eu2 N22 O18 -","1","0.5","","Arunasis Bhattacharyya; Eunja Kim; Philippe F. Weck; Paul M. Forster; Kenneth R. Czerwinski","Trivalent Actinide and Lanthanide Complexation of 5,6-Dialkyl-2,6-bis(1,2,4-triazin-3-yl)pyridine (RBTP; R = H, Me, Et) Derivatives: A Combined Experimental and First-Principles Study","Inorganic Chemistry","2013","52","","761","776","10.1021/ic301881w","","","0.71073","MoKα","","0.0174","0.0161","","","0.0382","0.0387","","","","","","1.042","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333560","8.4739","0.0004","12.6134","0.0007","12.7731","0.0007","92.781","0.001","102.882","0.001","106.561","0.001","1266.47","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Eu N11 O10 -","- C17 H20 Eu N11 O10 -","- C34 H40 Eu2 N22 O20 -","2","1","","Arunasis Bhattacharyya; Eunja Kim; Philippe F. Weck; Paul M. Forster; Kenneth R. Czerwinski","Trivalent Actinide and Lanthanide Complexation of 5,6-Dialkyl-2,6-bis(1,2,4-triazin-3-yl)pyridine (RBTP; R = H, Me, Et) Derivatives: A Combined Experimental and First-Principles Study","Inorganic Chemistry","2013","52","","761","776","10.1021/ic301881w","","","0.71073","MoKα","","0.0207","0.0192","","","0.0475","0.048","","","","","","1.069","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333561","13.1674","0.0008","10.8952","0.0006","15.3985","0.0009","90","","106.633","0.001","90","","2116.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Eu2 N20 O18 -","- C30 H30 Eu2 N20 O18 -","- C60 H60 Eu4 N40 O36 -","2","0.5","","Arunasis Bhattacharyya; Eunja Kim; Philippe F. Weck; Paul M. Forster; Kenneth R. Czerwinski","Trivalent Actinide and Lanthanide Complexation of 5,6-Dialkyl-2,6-bis(1,2,4-triazin-3-yl)pyridine (RBTP; R = H, Me, Et) Derivatives: A Combined Experimental and First-Principles Study","Inorganic Chemistry","2013","52","","761","776","10.1021/ic301881w","","","0.71073","MoKα","","0.0283","0.0223","","","0.0504","0.0519","","","","","","1.072","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333562","7.8334","0.0014","9.8055","0.0018","18.715","0.003","85.963","0.003","87.125","0.003","84.52","0.003","1426","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Eu N11 O10 -","- C21 H28 Eu N11 O10 -","- C42 H56 Eu2 N22 O20 -","2","1","","Arunasis Bhattacharyya; Eunja Kim; Philippe F. Weck; Paul M. Forster; Kenneth R. Czerwinski","Trivalent Actinide and Lanthanide Complexation of 5,6-Dialkyl-2,6-bis(1,2,4-triazin-3-yl)pyridine (RBTP; R = H, Me, Et) Derivatives: A Combined Experimental and First-Principles Study","Inorganic Chemistry","2013","52","","761","776","10.1021/ic301881w","","","0.71073","MoKα","","0.026","0.025","","","0.0575","0.0579","","","","","","1.111","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333563","8.9318","0.0008","11.1272","0.0009","11.2538","0.001","116.636","0.002","100.877","0.001","94.377","0.001","965.17","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H22 Cu3 Mo8 N16 O30 -","- C8 H22 Cu3 Mo8 N16 O30 -","- C8 H22 Cu3 Mo8 N16 O30 -","1","0.5","","Yun Gong; Tao Wu; Peng Gang Jiang; Jian Hua Lin; Yong Xi Yang","Octamolybdate-Based Metal-Organic Framework with Unsaturated Coordinated Metal Center As Electrocatalyst for Generating Hydrogen from Water","Inorganic Chemistry","2013","52","","777","784","10.1021/ic3018858","","","0.71073","MoKα","","0.0343","0.0284","","","0.0703","0.0737","","","","","","1.08","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333564","11.0715","0.0011","12.3855","0.0013","14.7951","0.0015","75.631","0.001","82.335","0.002","69.886","0.001","1842.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H22 Ag4 Mo8 N10 O27 -","- C10 H22 Ag4 Mo8 N10 O27 -","- C20 H44 Ag8 Mo16 N20 O54 -","2","1","","Yun Gong; Tao Wu; Peng Gang Jiang; Jian Hua Lin; Yong Xi Yang","Octamolybdate-Based Metal-Organic Framework with Unsaturated Coordinated Metal Center As Electrocatalyst for Generating Hydrogen from Water","Inorganic Chemistry","2013","52","","777","784","10.1021/ic3018858","","","0.71073","MoKα","","0.0943","0.0703","","","0.1945","0.217","","","","","","1.043","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333565","8.1504","0.0007","24.73","0.002","16.3917","0.0013","90","","103.585","0.001","90","","3211.5","0.5","95","2","95","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","LH2CuCl(OTf)","","","- C29 H34 Cl Cu F3 N6 O5 S -","- C29 H34 Cl Cu F3 N6 O5 S -","- C116 H136 Cl4 Cu4 F12 N24 O20 S4 -","4","1","","Mohammad Reza Halvagar; Benjamin Neisen; William B. Tolman","Copper-, Palladium-, and Platinum-Containing Complexes of an Asymmetric Dinucleating Ligand","Inorganic Chemistry","2013","52","","793","799","10.1021/ic301914u","","","0.71073","MoKα","","0.0801","0.0522","","","0.1233","0.1353","","","","","","1.069","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333566","12.3581","0.0012","9.4349","0.0009","27.051","0.003","90","","96.863","0.001","90","","3131.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LH2CuCl","","","- C29 H36 Cl3 Cu N6 O2 -","- C29 H36 Cl3 Cu N6 O2 -","- C116 H144 Cl12 Cu4 N24 O8 -","4","1","","Mohammad Reza Halvagar; Benjamin Neisen; William B. Tolman","Copper-, Palladium-, and Platinum-Containing Complexes of an Asymmetric Dinucleating Ligand","Inorganic Chemistry","2013","52","","793","799","10.1021/ic301914u","","x-ray","0.71073","MoKa","","0.0546","0.0414","","","0.0979","0.1052","","","","","","1.036","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333567","7.5013","0.0009","19.66","0.002","18.285","0.002","90","","94.695","0.002","90","","2687.5","0.5","95","2","95","2","","","","","","","Synthetic","6","P 1 21/c 1","-P 2ybc","14","LCu2Cl2","","","- C28 H32 Cl2 Cu2 N2 O2 -","- C28 H32 Cl2 Cu2 N6 O2 -","- C112 H128 Cl8 Cu8 N24 O8 -","4","1","","Mohammad Reza Halvagar; Benjamin Neisen; William B. Tolman","Copper-, Palladium-, and Platinum-Containing Complexes of an Asymmetric Dinucleating Ligand","Inorganic Chemistry","2013","52","","793","799","10.1021/ic301914u","","x-ray","0.71073","MoKα","","0.0874","0.0468","","","0.1282","0.194","","","","","","0.56","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333568","9.139","","13.516","","11.774","","90","","99.88","","90","","1432.79","","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","LH2PdCl2","8","","- C28 H34 Cl2 N6 O3 Pd -","- C28 H34 Cl2 N6 O3 Pd -","- C56 H68 Cl4 N12 O6 Pd2 -","2","0.5","","Mohammad Reza Halvagar; Benjamin Neisen; William B. Tolman","Copper-, Palladium-, and Platinum-Containing Complexes of an Asymmetric Dinucleating Ligand","Inorganic Chemistry","2013","52","","793","799","10.1021/ic301914u","","","0.71073","MoKα","","0.0984","0.0576","","","0.1251","0.1392","","","","","","1.049","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333569","19.261","0.003","14.225","0.002","14.138","0.002","90","","105.099","0.002","90","","3739.9","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","LH2PtCl2","9","","- C32 H38 Cl2 N4 O7.25 Pt S2 -","- C32 H38 Cl2 N6 O6.23 Pt S2 -","- C128 H152 Cl8 N24 O24.92 Pt4 S8 -","4","1","","Mohammad Reza Halvagar; Benjamin Neisen; William B. Tolman","Copper-, Palladium-, and Platinum-Containing Complexes of an Asymmetric Dinucleating Ligand","Inorganic Chemistry","2013","52","","793","799","10.1021/ic301914u","","","0.71073","MoKα","","0.152","0.0776","","","0.1471","0.1744","","","","","","1.021","","","","has coordinates,has disorder","211413","2020-10-21","18:00:00",""
"4333570","11.7511","0.001","9.5857","0.0009","13.9451","0.0012","90","","99.355","0.001","90","","1549.9","0.2","173","2","173","2","","","","","","","","7","P 1 n 1","P -2yac","7","LCuPdCl2","10","","- C29 H35 Cl2 Cu N4 O4 Pd -","- C29 H35 Cl2 Cu N6 O4 Pd -","- C58 H70 Cl4 Cu2 N12 O8 Pd2 -","2","1","","Mohammad Reza Halvagar; Benjamin Neisen; William B. Tolman","Copper-, Palladium-, and Platinum-Containing Complexes of an Asymmetric Dinucleating Ligand","Inorganic Chemistry","2013","52","","793","799","10.1021/ic301914u","","x-ray","0.71073","MoKα","","0.0485","0.0449","","","0.1238","0.1274","","","","","","1.038","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333571","11.6393","0.0009","9.5738","0.0008","14.0041","0.0011","90","","98.213","0.001","90","","1544.5","0.2","150","2","150","2","","","","","","","","7","P 1 n 1","P -2yac","7","LCuPtCl2","LCuPtCl2","","- C29 H35 Cl2 Cu N4 O3 Pt -","- C29 H35 Cl2 Cu N6 O3 Pt -","- C58 H70 Cl4 Cu2 N12 O6 Pt2 -","2","1","","Mohammad Reza Halvagar; Benjamin Neisen; William B. Tolman","Copper-, Palladium-, and Platinum-Containing Complexes of an Asymmetric Dinucleating Ligand","Inorganic Chemistry","2013","52","","793","799","10.1021/ic301914u","","","0.71073","MoKα","","0.0494","0.042","","","0.0995","0.1031","","","","","","0.99","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333572","10.527","0.005","10.853","0.005","12.979","0.005","91.34","0.005","113.602","0.005","111.965","0.005","1233.7","0.9","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Au2(dpp-propane)2I2","","","- C54 H52 Au2 I2 P4 -","- C54 H52 Au2 I2 P4 -","- C54 H52 Au2 I2 P4 -","1","0.5","","Sang Ho Lim; Jennifer C. Schmitt; Jason Shearer; Jianhua Jia; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Crystallographic and Computational Studies of Luminescent, Binuclear Gold(I) Complexes, AuI2(Ph2P(CH2)nPPh2)2I2 (n= 3-6)","Inorganic Chemistry","2013","52","","823","831","10.1021/ic301954n","","","0.71073","MoKα","","0.0509","0.0356","","","0.0758","0.08","","","","","","1.059","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333573","10.124","0.002","18.692","0.002","15.574","0.002","90","","119.93","0.005","90","","2554.1","0.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Au2[dpp-butane]2I2","","","- C56 H56 Au2 I2 P4 -","- C56 H56 Au2 I2 P4 -","- C112 H112 Au4 I4 P8 -","2","0.5","","Sang Ho Lim; Jennifer C. Schmitt; Jason Shearer; Jianhua Jia; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Crystallographic and Computational Studies of Luminescent, Binuclear Gold(I) Complexes, AuI2(Ph2P(CH2)nPPh2)2I2 (n= 3-6)","Inorganic Chemistry","2013","52","","823","831","10.1021/ic301954n","","","0.71073","MoKα","","0.0239","0.0189","","","0.0396","0.0409","","","","","","1.013","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333574","10.821","0.002","20.111","0.004","15.845","0.003","90","","94.334","0.001","90","","3438.3","1.1","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","Au2(dpp-pentane)2I2.3CHCl3","","","- C61 H62 Au2 Cl9 I2 P4 -","- C61 H62 Au2 Cl9 I2 P4 -","- C122 H124 Au4 Cl18 I4 P8 -","2","1","","Sang Ho Lim; Jennifer C. Schmitt; Jason Shearer; Jianhua Jia; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Crystallographic and Computational Studies of Luminescent, Binuclear Gold(I) Complexes, AuI2(Ph2P(CH2)nPPh2)2I2 (n= 3-6)","Inorganic Chemistry","2013","52","","823","831","10.1021/ic301954n","","","0.71073","MoKα","","0.0233","0.0221","","","0.0559","0.0563","","","","","","0.986","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333575","9.984","0.002","11.648","0.002","12.673","0.002","101.425","0.005","93.982","0.005","100.789","0.005","1410.3","0.4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Au2(dpp-hexane)2I2","","","- C60 H64 Au2 I2 P4 -","- C60 H64 Au2 I2 P4 -","- C60 H64 Au2 I2 P4 -","1","0.5","","Sang Ho Lim; Jennifer C. Schmitt; Jason Shearer; Jianhua Jia; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch","Crystallographic and Computational Studies of Luminescent, Binuclear Gold(I) Complexes, AuI2(Ph2P(CH2)nPPh2)2I2 (n= 3-6)","Inorganic Chemistry","2013","52","","823","831","10.1021/ic301954n","","","0.71073","MoKα","","0.0147","0.014","","","0.0332","0.0334","","","","","","1.047","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333576","30.174","0.002","30.174","0.002","30.174","0.002","90","","90","","90","","27473","3","250","2","250","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C36 H6 O19 Zn4 -","- C36 H6 O19 Zn4 -","- C288 H48 O152 Zn32 -","8","0.0416667","","Ioannis Spanopoulos; Pantelis Xydias; Christos D. Malliakas; Pantelis N. Trikalitis","A Straight Forward Route for the Development of Metal-Organic Frameworks Functionalized with Aromatic -OH Groups: Synthesis, Characterization, and Gas (N2, Ar, H2, CO2, CH4, NH3) Sorption Properties","Inorganic Chemistry","2013","52","","855","862","10.1021/ic302010e","","","0.71073","MoKα","","0.1759","0.0961","","","0.2487","0.2998","","","","","","0.946","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333577","30.367","0.004","30.367","0.004","30.367","0.004","90","","90","","90","","28003","6","250","2","250","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- C48 H22 O15 Zn4 -","- C48 H22 O15 Zn4 -","- C288 H132 O90 Zn24 -","6","0.125","","Ioannis Spanopoulos; Pantelis Xydias; Christos D. Malliakas; Pantelis N. Trikalitis","A Straight Forward Route for the Development of Metal-Organic Frameworks Functionalized with Aromatic -OH Groups: Synthesis, Characterization, and Gas (N2, Ar, H2, CO2, CH4, NH3) Sorption Properties","Inorganic Chemistry","2013","52","","855","862","10.1021/ic302010e","","","0.71073","MoKα","","0.3371","0.1522","","","0.2976","0.3617","","","","","","1.058","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333578","17.1238","0.0011","20.115","0.0013","27.1291","0.0016","90","","90","","90","","9344.5","1","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C42 H24 N0 O15 Zn4 -","- C42 H24 O15 Zn4 -","- C168 H96 O60 Zn16 -","4","0.5","","Ioannis Spanopoulos; Pantelis Xydias; Christos D. Malliakas; Pantelis N. Trikalitis","A Straight Forward Route for the Development of Metal-Organic Frameworks Functionalized with Aromatic -OH Groups: Synthesis, Characterization, and Gas (N2, Ar, H2, CO2, CH4, NH3) Sorption Properties","Inorganic Chemistry","2013","52","","855","862","10.1021/ic302010e","","","0.4428","","","0.0816","0.0704","","","0.1959","0.2051","","","","","","1.034","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333579","24.047","0.003","5.8126","0.0004","28.807","0.003","90","","99.244","0.009","90","","3974.2","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 N4 O12 S2 -","- C40 H46 N4 O12 S2 -","- C160 H184 N16 O48 S8 -","4","0.5","","Ioannis Spanopoulos; Pantelis Xydias; Christos D. Malliakas; Pantelis N. Trikalitis","A Straight Forward Route for the Development of Metal-Organic Frameworks Functionalized with Aromatic -OH Groups: Synthesis, Characterization, and Gas (N2, Ar, H2, CO2, CH4, NH3) Sorption Properties","Inorganic Chemistry","2013","52","","855","862","10.1021/ic302010e","","","0.71073","MoKα","","0.1687","0.0987","","","0.2352","0.2757","","","","","","1.012","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333580","11.3853","0.0004","12.0558","0.0004","23.4951","0.0009","93.417","0.002","97.951","0.002","109.364","0.002","2993.98","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ~3~-hydroxido)-bis(1-Carboxy-3,5,7- adamantanetricarboxylato)-1,3-bi(1,2,4-triazol-4-yl)adamantane diaquatetracopper(II) Trihydrate","","- C56 H74 Cu4 N12 O23 -","- C56 H74 Cu4 N12 O23 -","- C112 H148 Cu8 N24 O46 -","2","1","","Ganna A. Senchyk; Andrey B. Lysenko; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Karl W. Krämer; Shi-Xia Liu; Silvio Decurtins; Konstantin V. Domasevitch","Functionalized Adamantane Tectons Used in the Design of Mixed-Ligand Copper(II) 1,2,4-Triazolyl/Carboxylate Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","863","872","10.1021/ic3020157","","","0.71073","MoKα","","0.0876","0.0492","","","0.108","0.1197","","","","","","1.016","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4333581","8.6","0.0004","13.1848","0.0007","18.3098","0.001","97.207","0.006","101.911","0.006","107.2","0.006","1901.6","0.2","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","Bis(μ~3~-hydroxido)- bis(1-Carboxy-3,5,7-adamantanetricarboxylato)- 1,3-bi(1,2,4-triazol-4-yl)propane aquatetracopper(II) Hydrate","","- C35 H42 Cu4 N6 O20 -","- C35 H41 Cu4 N6 O20 -","- C70 H82 Cu8 N12 O40 -","2","1","","Ganna A. Senchyk; Andrey B. Lysenko; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Karl W. Krämer; Shi-Xia Liu; Silvio Decurtins; Konstantin V. Domasevitch","Functionalized Adamantane Tectons Used in the Design of Mixed-Ligand Copper(II) 1,2,4-Triazolyl/Carboxylate Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","863","872","10.1021/ic3020157","","","0.71073","MoKα","","0.0442","0.0348","","","0.0879","0.0901","","","","","","0.935","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4333582","14.045","0.004","14.666","0.004","22.284","0.006","80.803","0.004","88.478","0.004","64.989","0.004","4102","2","296","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54.5 H97 Cl3 Mn8 N3.5 O26 -","- C54.5 H95.5 Cl3 Mn8 N3.5 O26 -","- C109 H191 Cl6 Mn16 N7 O52 -","2","1","","Shreya Mukherjee; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou","Comproportionation Reactions to Manganese(III/IV) Pivalate Clusters: A New Half-Integer Spin Single-Molecule Magnet","Inorganic Chemistry","2013","52","","873","884","10.1021/ic302021a","","","0.71073","MoKα","","0.0994","0.0577","","","0.157","0.1772","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333583","15.01","0.002","21.876","0.004","26.275","0.004","90","","98.75","0.008","90","","8527","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H108 Mn8 O33 -","- C60 H108 Mn8 O33 -","- C240 H432 Mn32 O132 -","4","1","","Shreya Mukherjee; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou","Comproportionation Reactions to Manganese(III/IV) Pivalate Clusters: A New Half-Integer Spin Single-Molecule Magnet","Inorganic Chemistry","2013","52","","873","884","10.1021/ic302021a","","","0.71073","MoKα","","0.0502","0.0369","","","0.0947","0.0997","","","","","","1.081","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333584","20.555","0.003","68.895","0.009","21.549","0.003","90","","90","","90","","30516","7","100","2","100","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C73 H133 Mn9 O35 -","- C73 H133 Mn9 O35 -","- C876 H1596 Mn108 O420 -","12","","","Shreya Mukherjee; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou","Comproportionation Reactions to Manganese(III/IV) Pivalate Clusters: A New Half-Integer Spin Single-Molecule Magnet","Inorganic Chemistry","2013","52","","873","884","10.1021/ic302021a","","","0.71073","MoKα","","0.0486","0.0388","","","0.0846","0.0884","","","","","","1.032","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333585","7.378","0.003","6.923","0.003","26.07","0.012","90","","94.21","0.03","90","","1328","1","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 N2 -","- C42 H24 N2 -","- C84 H48 N4 -","2","0.5","","Edwin C. Constable; Markus Neuburger; Pirmin Rösel; Gabriel E. Schneider; Jennifer A. Zampese; Catherine E. Housecroft; Filippo Monti; Nicola Armaroli; Rubén D. Costa; Enrique Ortí","Ligand-Based Charge-Transfer Luminescence in Ionic Cyclometalated Iridium(III) Complexes Bearing a Pyrene-Functionalized Bipyridine Ligand: A Joint Theoretical and Experimental Study","Inorganic Chemistry","2013","52","","885","897","10.1021/ic302026f","","","0.71073","MoKα","","0.1911","0.1048","","0.1196","0.0791","0.0791","","","","","","1.0985","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333586","13.769","0.003","35.021","0.007","12.961","0.003","90","","109.09","0.03","90","","5906","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C258 H182 Cl4 F24 Ir4 N16 O9 P4 -","- C258 H164 Cl4 F24 Ir4 N16 O9 P4 -","- C258 H164 Cl4 F24 Ir4 N16 O9 P4 -","1","0.25","","Edwin C. Constable; Markus Neuburger; Pirmin Rösel; Gabriel E. Schneider; Jennifer A. Zampese; Catherine E. Housecroft; Filippo Monti; Nicola Armaroli; Rubén D. Costa; Enrique Ortí","Ligand-Based Charge-Transfer Luminescence in Ionic Cyclometalated Iridium(III) Complexes Bearing a Pyrene-Functionalized Bipyridine Ligand: A Joint Theoretical and Experimental Study","Inorganic Chemistry","2013","52","","885","897","10.1021/ic302026f","","","0.71073","MoKα","","0.0469","0.0436","","","0.1139","0.1166","","","","","","1.084","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4333587","12.7442","0.0011","15.7615","0.0013","16.2764","0.0014","103.458","0.007","110.144","0.006","111.389","0.006","2606.9","0.5","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C64.25 H38.5 Cl0.5 F10 Ir N4 O P -","- C64.25 H36.5 Cl0.5 F10 Ir N4 O P -","- C128.5 H73 Cl F20 Ir2 N8 O2 P2 -","2","1","","Edwin C. Constable; Markus Neuburger; Pirmin Rösel; Gabriel E. Schneider; Jennifer A. Zampese; Catherine E. Housecroft; Filippo Monti; Nicola Armaroli; Rubén D. Costa; Enrique Ortí","Ligand-Based Charge-Transfer Luminescence in Ionic Cyclometalated Iridium(III) Complexes Bearing a Pyrene-Functionalized Bipyridine Ligand: A Joint Theoretical and Experimental Study","Inorganic Chemistry","2013","52","","885","897","10.1021/ic302026f","","","0.71073","MoKα","","0.0287","0.0282","","","0.0766","0.077","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4333588","42.0617","0.0008","10.7977","0.0002","28.7341","0.0005","90","","97.139","0.001","90","","12949","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H42 Cu2 F12 N10 O12 S4 -","- C52 H42 Cu2 F12 N10 O12 S4 -","- C416 H336 Cu16 F96 N80 O96 S32 -","8","1","","Stacey Lindsay; Siu K. Lo; Oliver R. Maguire; Eckhard Bill; Michael R. Probert; Stephen Sproules; Corinna R. Hess","Syntheses and Electronic Structure of Bimetallic Complexes Containing a Flexible Redox-Active Bridging Ligand","Inorganic Chemistry","2013","52","","898","909","10.1021/ic302087f","","x-ray","1.54188","CuKα","K-L~3~","0.0686","0.0591","","","0.173","0.1797","","","","","","1.088","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333589","7.1827","0.0002","9.441","0.0002","20.274","0.0004","77.856","0.001","87.949","0.001","72.37","0.001","1280.35","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl4 N5 Zn2 -","- C24 H21 Cl4 N5 Zn2 -","- C48 H42 Cl8 N10 Zn4 -","2","1","","Stacey Lindsay; Siu K. Lo; Oliver R. Maguire; Eckhard Bill; Michael R. Probert; Stephen Sproules; Corinna R. Hess","Syntheses and Electronic Structure of Bimetallic Complexes Containing a Flexible Redox-Active Bridging Ligand","Inorganic Chemistry","2013","52","","898","909","10.1021/ic302087f","","x-ray","1.54188","CuKα","K-L~3~","0.0247","0.0241","","","0.0638","0.0645","","","","","","1.058","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333590","10.6568","0.0002","12.915","0.0002","15.01","0.0003","106.98","0.001","109.448","0.001","97.5","0.001","1802.68","0.06","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C62 H57 F12 Fe2 N15 O12 S4 -","- C60 H54 F12 Fe2 N14 O12 S4 -","- C60 H54 F12 Fe2 N14 O12 S4 -","1","0.5","","Stacey Lindsay; Siu K. Lo; Oliver R. Maguire; Eckhard Bill; Michael R. Probert; Stephen Sproules; Corinna R. Hess","Syntheses and Electronic Structure of Bimetallic Complexes Containing a Flexible Redox-Active Bridging Ligand","Inorganic Chemistry","2013","52","","898","909","10.1021/ic302087f","","x-ray","1.54188","CuKα","K-L~3~","0.0555","0.0526","","","0.155","0.1591","","","","","","1.093","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333591","8.9929","0.0011","12.9736","0.0018","14.7541","0.0016","69.606","0.004","86.687","0.005","76.892","0.004","1571","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H48 F12 Fe2 N12 O12 S4 -","- C56 H48 F12 Fe2 N12 O12 S4 -","- C56 H48 F12 Fe2 N12 O12 S4 -","1","0.5","","Stacey Lindsay; Siu K. Lo; Oliver R. Maguire; Eckhard Bill; Michael R. Probert; Stephen Sproules; Corinna R. Hess","Syntheses and Electronic Structure of Bimetallic Complexes Containing a Flexible Redox-Active Bridging Ligand","Inorganic Chemistry","2013","52","","898","909","10.1021/ic302087f","","x-ray","0.71073","MoKα","K-L~3~","0.0451","0.0388","","","0.1012","0.1061","","","","","","1.07","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333592","35.874","0.007","12.173","0.004","21.981","0.003","90","","120.404","0.011","90","","8279","3","200","2","200","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C69 H110 Cu2 F6 N10 O6 S2 Ti6 -","- C69 H110 Cu2 F6 N10 O6 S2 Ti6 -","- C276 H440 Cu8 F24 N40 O24 S8 Ti24 -","4","0.5","","Avelino Martín; Noelia Martínez-Espada; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Copper(I) and Silver(I) Complexes Supported by the Tridentate [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand","Inorganic Chemistry","2013","52","","918","930","10.1021/ic302113k","","x-ray","0.71073","MoKα","","0.064","0.04","","","0.1023","0.1107","","","","","","1.089","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333593","36.798","0.006","12.1557","0.0019","22.225","0.003","90","","121.823","0.012","90","","8447","2","200","2","200","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C69 H110 Ag2 F6 N10 O6 S2 Ti6 -","- C69 H110 Ag2 F6 N10 O6 S2 Ti6 -","- C276 H440 Ag8 F24 N40 O24 S8 Ti24 -","4","0.5","","Avelino Martín; Noelia Martínez-Espada; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Copper(I) and Silver(I) Complexes Supported by the Tridentate [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand","Inorganic Chemistry","2013","52","","918","930","10.1021/ic302113k","","x-ray","0.71073","MoKα","","0.1279","0.055","","","0.1046","0.1199","","","","","","1.023","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333594","11.2364","0.0007","17.283","0.004","25.424","0.006","90","","94.77","0.01","90","","4920.2","1.7","100","2","100","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 Cu F4 N5 O3 S Ti3 -","- C36 H57 Cu F3 N5 O3 S Ti3 -","- C144 H228 Cu4 F12 N20 O12 S4 Ti12 -","4","1","","Avelino Martín; Noelia Martínez-Espada; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Copper(I) and Silver(I) Complexes Supported by the Tridentate [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand","Inorganic Chemistry","2013","52","","918","930","10.1021/ic302113k","","x-ray","0.71073","MoKα","","0.0941","0.0611","","","0.1636","0.1776","","","","","","1.097","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333595","11.416","0.002","14.482","0.003","19.792","0.003","88.821","0.013","88.812","0.014","77.808","0.015","3197.2","1","200","2","200","2","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C62 H84 Cu F3 N4 O3 P2 S Ti3 -","- C56 H70 Cu F3 N4 O3 P2 S Ti3 -","- C112 H140 Cu2 F6 N8 O6 P4 S2 Ti6 -","2","1","","Avelino Martín; Noelia Martínez-Espada; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Copper(I) and Silver(I) Complexes Supported by the Tridentate [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand","Inorganic Chemistry","2013","52","","918","930","10.1021/ic302113k","","x-ray","0.71073","MoKα","","0.1059","0.0731","","","0.2203","0.2446","","","","","","1.111","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333596","19.617","0.002","14.188","0.003","21.844","0.002","90","","98.493","0.01","90","","6013.1","1.5","200","2","200","2","","","","","","","synthesis as described","9","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 Ag F3 N4 O3 P2 S Ti3 -","- C56 H70 Ag F3 N4 O3 P2 S Ti3 -","- C224 H280 Ag4 F12 N16 O12 P8 S4 Ti12 -","4","1","","Avelino Martín; Noelia Martínez-Espada; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Copper(I) and Silver(I) Complexes Supported by the Tridentate [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand","Inorganic Chemistry","2013","52","","918","930","10.1021/ic302113k","","x-ray","0.71073","MoKα","","0.1035","0.0505","","","0.1229","0.1444","","","","","","1.043","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333597","12.53","0.003","12.621","0.003","18.7029","0.0018","89.017","0.014","71.718","0.013","68.809","0.013","2603","1","200","2","200","2","","","","","","","synthesis as described","10","P -1","-P 1","2","","","","- C90 H124 Cl4 Cu2 F6 N8 O6 P2 S2 Ti6 -","- C90 H124 Cl4 Cu2 F6 N8 O6 P2 S2 Ti6 -","- C90 H124 Cl4 Cu2 F6 N8 O6 P2 S2 Ti6 -","1","0.5","","Avelino Martín; Noelia Martínez-Espada; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Copper(I) and Silver(I) Complexes Supported by the Tridentate [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand","Inorganic Chemistry","2013","52","","918","930","10.1021/ic302113k","","x-ray","0.71073","MoKα","","0.1254","0.0575","","","0.1174","0.1353","","","","","","1.031","","","","has coordinates,has disorder","179438","2020-10-21","18:00:00",""
"4333598","10.678","0.002","10.678","0.002","10.678","0.002","90","","90","","90","","1217.5","0.4","373","2","373","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ge45 Rh -","- Ba8 Ge42.7 Rh1.2 -","- Ba8 Ge42.7 Rh1.2 -","1","0.0208333","","M. Falmbigl; F. Kneidinger; M. Chen; A. Grytsiv; H. Michor; E. Royanian; E. Bauer; H. Effenberger; R. Podloucky; P. Rogl","Cage-Forming Compounds in the Ba-Rh-Ge System: From Thermoelectrics to Superconductivity","Inorganic Chemistry","2013","52","","931","943","10.1021/ic302139r","","","0.71069","MoKα","","0.0524","0.0273","","","0.0372","0.0409","","","","","","1.114","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333599","10.693","0.002","10.693","0.002","10.693","0.002","90","","90","","90","","1222.6","0.4","473","2","473","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ge45 Rh -","- Ba8 Ge42.7 Rh1.2 -","- Ba8 Ge42.7 Rh1.2 -","1","0.0208333","","M. Falmbigl; F. Kneidinger; M. Chen; A. Grytsiv; H. Michor; E. Royanian; E. Bauer; H. Effenberger; R. Podloucky; P. Rogl","Cage-Forming Compounds in the Ba-Rh-Ge System: From Thermoelectrics to Superconductivity","Inorganic Chemistry","2013","52","","931","943","10.1021/ic302139r","","","0.71069","MoKα","","0.0638","0.0319","","","0.0456","0.0502","","","","","","1.162","","","","has coordinates","179438","2020-10-21","18:00:00",""
"4333600","10.708","0.002","10.708","0.002","10.708","0.002","90","","90","","90","","1227.8","0.4","573","2","573","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ba8 Ge45 Rh -","- Ba8 Ge42.742 Rh1.2 -","- Ba8 Ge42.742 Rh1.2 -","1","0.0208333","","M. Falmbigl; F. Kneidinger; M. Chen; A. Grytsiv; H. Michor; E. Royanian; E. Bauer; H. Effenberger; R. Podloucky; P. Rogl","Cage-Forming Compounds in the Ba-Rh-Ge System: From Thermoelectrics to Superconductivity","Inorganic Chemistry","2013","52","","931","943","10.1021/ic302139r","","","0.71069","MoKα","","0.0654","0.0279","","","0.0402","0.0447","","","","","","1.17","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333601","6.564","0.002","6.564","0.002","22.037","0.002","90","","90","","90","","949.5","0.4","293","2","293","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ba6 Ge32 Rh8 -","- Ba6 Ge32 Rh8 -","- Ba6 Ge32 Rh8 -","1","0.03125","","M. Falmbigl; F. Kneidinger; M. Chen; A. Grytsiv; H. Michor; E. Royanian; E. Bauer; H. Effenberger; R. Podloucky; P. Rogl","Cage-Forming Compounds in the Ba-Rh-Ge System: From Thermoelectrics to Superconductivity","Inorganic Chemistry","2013","52","","931","943","10.1021/ic302139r","","","0.71073","MoKα","","0.0511","0.0301","","","0.1153","0.1534","","","","","","1.102","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333602","8.475","0.002","14.725","0.002","66.445","0.002","90","","90","","90","","8292","2","298","2","298","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Ba36 Ge240 Rh108 -","- Ba40 Ge285.728 Rh120 -","- Ba40 Ge285.728 Rh120 -","1","0.03125","","M. Falmbigl; F. Kneidinger; M. Chen; A. Grytsiv; H. Michor; E. Royanian; E. Bauer; H. Effenberger; R. Podloucky; P. Rogl","Cage-Forming Compounds in the Ba-Rh-Ge System: From Thermoelectrics to Superconductivity","Inorganic Chemistry","2013","52","","931","943","10.1021/ic302139r","","","0.71069","MoKα","","0.0747","0.034","","","0.0477","0.0554","","","","","","1.014","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333603","5.892","0.002","13.781","0.005","11.792","0.005","90","","90","","90","","957.5","0.6","120","2","120","2","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- Ge7 Sm4 -","- Ge7 Sm4 -","- Ge28 Sm16 -","4","0.5","","Jiliang Zhang; Paul H. Tobash; William D. Pryz; Douglas J. Buttey; Namjung Hur; Joe D. Thompson; John L. Sarrao; Svilen Bobev","Synthesis, Structural Characterization, and Physical Properties of the Early Rare-Earth Metal Digermanides REGe2-x (x~ 1/4) [RE= La-Nd, Sm]. A Case Study of Commensurately and Incommensurately Modulated Structures","Inorganic Chemistry","2013","52","","953","964","10.1021/ic3021645","","","0.71073","MoKα","","0.0384","0.0345","","","0.0839","0.0864","","","","","","1.163","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333604","11.9045","0.0005","14.6137","0.0008","20.9467","0.0011","90","","90","","90","","3644.1","0.3","108","","108","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C30 H30 F6 N4 O2 Os P -","- C30 H23 F6 N4 O4.5 Os P -","- C120 H92 F24 N16 O18 Os4 P4 -","4","0.5","","Hideki Sugimoto; Kenji Ashikari; Shinobu Itoh","C-H Bond Activation of the Methyl Group of the Supporting Ligand in an Osmium(III) Complex upon Reaction with H2O2: Formation of an Organometallic Osmium(IV) Complex","Inorganic Chemistry","2013","52","","543","545","10.1021/ic302169k","","","0.71075","MoKα","","","0.0543","","","","0.1355","","","","","","1.301","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333605","21.1268","0.0005","24.0214","0.0006","13.5052","0.0004","90","","102.462","","90","","6692.3","0.3","103","","103","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16.66667 H21 Cl2 F6 N4.33333 Os P -","- C16.6667 H21 Cl2 F6 N4.33333 Os P -","- C200 H252 Cl24 F72 N52 Os12 P12 -","12","3","","Hideki Sugimoto; Kenji Ashikari; Shinobu Itoh","C-H Bond Activation of the Methyl Group of the Supporting Ligand in an Osmium(III) Complex upon Reaction with H2O2: Formation of an Organometallic Osmium(IV) Complex","Inorganic Chemistry","2013","52","","543","545","10.1021/ic302169k","","","0.71075","MoKα","","","0.0538","","","","0.1336","","","","","","1.042","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333606","15.1772","0.0004","13.1282","0.0003","16.2757","0.0005","90","","106.364","0.0007","90","","3111.56","0.15","108","","108","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 F6 N4 O4 Os P -","- C30 H30 F6 N4 O4 Os P -","- C120 H120 F24 N16 O16 Os4 P4 -","4","1","","Hideki Sugimoto; Kenji Ashikari; Shinobu Itoh","C-H Bond Activation of the Methyl Group of the Supporting Ligand in an Osmium(III) Complex upon Reaction with H2O2: Formation of an Organometallic Osmium(IV) Complex","Inorganic Chemistry","2013","52","","543","545","10.1021/ic302169k","","","0.71075","MoKα","","","0.0379","","","","0.1133","","","","","","1.241","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333607","18.5005","0.0007","10.971","0.0004","14.4752","0.0006","90","","104.513","0.003","90","","2844.27","0.19","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cesium Uranium(VI) Phosphate-Phosphite","","","- Cs4 H4 O55 P10 U8 -","- Cs4 H4 O55 P10 U8 -","- Cs8 H8 O110 P20 U16 -","2","0.25","","Eric M. Villa; Connor J. Marr; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","From Order to Disorder and Back Again: In Situ Hydrothermal Redox Reactions of Uranium Phosphites and Phosphates","Inorganic Chemistry","2013","52","","965","973","10.1021/ic302198w","","","0.71073","MoKα","","0.0833","0.0465","","","0.0884","0.101","","","","","","1.016","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333608","29.4481","0.0014","6.6314","0.0003","6.9319","0.0003","90","","98.423","0.003","90","","1339.07","0.11","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cesium Uranium(IV) Phosphate","","","- Cs O16 P4 U2 -","- Cs O16 P4 U2 -","- Cs4 O64 P16 U8 -","4","0.5","","Eric M. Villa; Connor J. Marr; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","From Order to Disorder and Back Again: In Situ Hydrothermal Redox Reactions of Uranium Phosphites and Phosphates","Inorganic Chemistry","2013","52","","965","973","10.1021/ic302198w","","","0.71073","MoKα","","0.0361","0.0277","","","0.0616","0.0652","","","","","","1.038","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333609","6.9321","0.0005","26.935","0.0019","10.9137","0.0008","90","","90","","90","","2037.8","0.3","100","2","100","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","Cesium Uranium(IV) Phosphate-Phosphite","","","- Cs4 H0 O39 P10 U6 -","- Cs4.04 O39.02 P10 U6 -","- Cs8.08 O78.04 P20 U12 -","2","0.25","","Eric M. Villa; Connor J. Marr; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","From Order to Disorder and Back Again: In Situ Hydrothermal Redox Reactions of Uranium Phosphites and Phosphates","Inorganic Chemistry","2013","52","","965","973","10.1021/ic302198w","","","0.71073","MoKα","","0.041","0.0377","","","0.0978","0.1003","","","","","","1.089","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333610","19.2966","0.0004","20.2914","0.0005","13.9293","0.0003","90","","126.839","0.001","90","","4365.03","0.18","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Cesium Uranium(IV) Phosphate-Phosphite","","","- Cs10 H0 O88 P23 U10 -","- Cs10 O88 P23 U10 -","- Cs20 O176 P46 U20 -","2","0.25","","Eric M. Villa; Connor J. Marr; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","From Order to Disorder and Back Again: In Situ Hydrothermal Redox Reactions of Uranium Phosphites and Phosphates","Inorganic Chemistry","2013","52","","965","973","10.1021/ic302198w","","","0.71073","MoKα","","0.0486","0.0351","","","0.0746","0.0804","","","","","","1.054","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333611","18.0182","0.0019","9.264","0.0009","17.5163","0.0018","90","","104.807","0.003","90","","2826.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cesium Uranium(IV) Phosphate","","","- Cs3 H0 O32 P8 U4 -","- Cs3 O32 P8 U4 -","- Cs12 O128 P32 U16 -","4","0.5","","Eric M. Villa; Connor J. Marr; Juan Diwu; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","From Order to Disorder and Back Again: In Situ Hydrothermal Redox Reactions of Uranium Phosphites and Phosphates","Inorganic Chemistry","2013","52","","965","973","10.1021/ic302198w","","","0.71073","MoKα","","0.0358","0.0284","","","0.0633","0.0661","","","","","","1.035","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333612","15.5488","0.0012","9.3007","0.0007","20.6588","0.0017","90","","90.836","0.002","90","","2987.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Cl Ir N5 S -","- C24 H23 Cl Ir N5 S -","- C96 H92 Cl4 Ir4 N20 S4 -","4","1","","José Ruiz; Consuelo Vicente; Concepción de Haro; Delia Bautista","Novel Bis-C,N-Cyclometalated Iridium(III) Thiosemicarbazide Antitumor Complexes: Interactions with Human Serum Albumin and DNA, and Inhibition of Cathepsin B","Inorganic Chemistry","2013","52","","974","982","10.1021/ic302219v","","","0.71073","MoKα","","0.0398","0.0269","","","0.0596","0.0634","","","","","","0.968","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333613","9.6982","0.0008","9.6982","0.0008","4.759","0.0004","90","","90","","90","","447.61","0.06","173","2","173","2","","","","","","","","3","I -4","I -4","82","molybdenum iron phosphide (2.56/0.44/1)","molybdenum iron phosphide (2.56/0.44/1)","","- Fe0.44 Mo2.56 P -","- Fe0.437 Mo2.563 P -","- Fe3.496 Mo20.504 P8 -","8","1","","Anton O. Oliynyk; Yaroslava F. Lomnytska; Mariya V. Dzevenko; Stanislav S. Stoyko; Arthur Mar","Phase Equilibria in the Mo-Fe-P System at 800 ° C and Structure of Ternary Phosphide (Mo1-xFex)3P (0.10 <=x<= 0.15)","Inorganic Chemistry","2013","52","","983","991","10.1021/ic302243p","","","0.71073","MoKα","","0.0193","0.0175","","","0.0354","0.0358","","","","","","1.087","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333614","9.7925","0.0011","9.7925","0.0011","4.8246","0.0006","90","","90","","90","","462.65","0.09","173","2","173","2","","","","","","","","2","I -4 2 m","I -4 2","121","molybdenum phosphide (1/3)","molybdenum phosphide (1/3)","","- Mo3 P -","- Mo3 P -","- Mo24 P8 -","8","0.5","","Anton O. Oliynyk; Yaroslava F. Lomnytska; Mariya V. Dzevenko; Stanislav S. Stoyko; Arthur Mar","Phase Equilibria in the Mo-Fe-P System at 800 ° C and Structure of Ternary Phosphide (Mo1-xFex)3P (0.10 <=x<= 0.15)","Inorganic Chemistry","2013","52","","983","991","10.1021/ic302243p","","","0.71073","MoKα","","0.0158","0.0149","","","0.0308","0.0312","","","","","","1.133","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333615","19.565","0.006","20.676","0.007","9.063","0.003","90","","94.445","0.005","90","","3655","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 Cu N4 O6 P2 -","- C40 H38 Cu N4 O6 P2 -","- C160 H152 Cu4 N16 O24 P8 -","4","0.5","","Anna A. Sinelshchikova; Sergey E. Nefedov; Yulia Yu. Enakieva; Yulia G. Gorbunova; Aslan Yu. Tsivadze; Karl M. Kadish; Ping Chen; Alla Bessmertnykh-Lemeune; Christine Stern; Roger Guilard","Unusual Formation of a Stable 2D Copper Porphyrin Network","Inorganic Chemistry","2013","52","","999","1008","10.1021/ic302257g","","","0.71073","MoKα","","0.0997","0.056","","","0.1311","0.1584","","","","","","1","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333616","12.3787","0.0006","11.7319","0.0005","12.2028","0.0006","90","","91.858","0.001","90","","1771.23","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 Cu N4 O6 P2 -","- C40 H38 Cu N4 O6 P2 -","- C80 H76 Cu2 N8 O12 P4 -","2","0.5","","Anna A. Sinelshchikova; Sergey E. Nefedov; Yulia Yu. Enakieva; Yulia G. Gorbunova; Aslan Yu. Tsivadze; Karl M. Kadish; Ping Chen; Alla Bessmertnykh-Lemeune; Christine Stern; Roger Guilard","Unusual Formation of a Stable 2D Copper Porphyrin Network","Inorganic Chemistry","2013","52","","999","1008","10.1021/ic302257g","","","0.71073","MoKα","","0.0417","0.0379","","","0.1081","0.111","","","","","","1.023","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333617","9.657","0.002","11.28","0.003","11.705","0.003","71.456","0.004","72.223","0.004","77.807","0.004","1141.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 Cu N4 O10 P2 -","- C48 H54 Cu N4 O10 P2 -","- C48 H54 Cu N4 O10 P2 -","1","0.5","","Anna A. Sinelshchikova; Sergey E. Nefedov; Yulia Yu. Enakieva; Yulia G. Gorbunova; Aslan Yu. Tsivadze; Karl M. Kadish; Ping Chen; Alla Bessmertnykh-Lemeune; Christine Stern; Roger Guilard","Unusual Formation of a Stable 2D Copper Porphyrin Network","Inorganic Chemistry","2013","52","","999","1008","10.1021/ic302257g","","","0.71073","MoKα","","0.1142","0.0795","","","0.1877","0.21","","","","","","1.004","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333618","12.846","0.005","18.671","0.007","20.889","0.007","69.166","0.005","87.147","0.006","81.561","0.006","4632","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- Co2 H86 K5 Na7 O109 Si2 W18 -","- Co2 K5 Na7 O87.75 Si2 W18 -","- Co4 K10 Na14 O175.5 Si4 W36 -","2","1","","Guibo Zhu; Yurii V. Geletii; Jie Song; Chongchao Zhao; Elliot N. Glass; John Bacsa; Craig L. Hill","Di- and Tri-Cobalt Silicotungstates: Synthesis, Characterization, and Stability Studies","Inorganic Chemistry","2013","52","","1018","1024","10.1021/ic302279m","","","0.71073","MoKα","","0.0681","0.0524","","","0.143","0.152","","","","","","1.043","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333619","13.3935","0.0012","16.1715","0.0015","20.3596","0.0018","90","","106.364","0.001","90","","4231.1","0.7","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- Co3 H62 K6 Na4 O97 Si2 W18 -","- Co3 K6 Na4 O89.8 Si2 W18 -","- Co6 K12 Na8 O179.6 Si4 W36 -","2","0.5","","Guibo Zhu; Yurii V. Geletii; Jie Song; Chongchao Zhao; Elliot N. Glass; John Bacsa; Craig L. Hill","Di- and Tri-Cobalt Silicotungstates: Synthesis, Characterization, and Stability Studies","Inorganic Chemistry","2013","52","","1018","1024","10.1021/ic302279m","","","0.71073","MoKα","","0.0952","0.0487","","","0.1025","0.1212","","","","","","1.016","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333620","12.2891","0.0003","23.5596","0.0005","30.7185","0.0007","90","","95.88","0.001","90","","8847","0.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Co2 H50 K12 O91 Si2 W18 -","- Co2 H10 K12 O91 Si2 W18 -","- Co8 H40 K48 O364 Si8 W72 -","4","1","","Guibo Zhu; Yurii V. Geletii; Jie Song; Chongchao Zhao; Elliot N. Glass; John Bacsa; Craig L. Hill","Di- and Tri-Cobalt Silicotungstates: Synthesis, Characterization, and Stability Studies","Inorganic Chemistry","2013","52","","1018","1024","10.1021/ic302279m","","","0.71073","MoKα","","0.0592","0.0482","","","0.1104","0.1154","","","","","","1.085","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333621","5.1474","0.001","18.232","0.004","26.783","0.005","90","","90.08","0.03","90","","2513.5","0.9","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 La N6 O10 -","- C24 H12 La N6 O10 -","- C96 H48 La4 N24 O40 -","4","1","","Antonio J. Calahorro; Antonio Peñas-Sanjuan; Manuel Melguizo; David Fairen-Jiménez; Guillermo Zaragoza; Belén Fernández; Alfonso Salinas-Castillo; Antonio Rodríguez-Diéguez","First Examples of Metal-Organic Frameworks with the Novel 3,3'-(1,2,4,5-Tetrazine-3,6-diyl)dibenzoic Spacer. Luminescence and Adsorption Properties","Inorganic Chemistry","2013","52","","546","548","10.1021/ic302318j","","x-ray","0.7107","MoKα","","0.1182","0.0727","","","0.1677","0.1956","","","","","","1.034","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333622","6.3054","0.0006","8.0715","0.0009","11.4005","0.0013","73.397","0.007","82.195","0.007","85.851","0.007","550.53","0.1","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H22 N4 O6 S2 -","- C20 H22 N4 O6 S2 -","- C20 H22 N4 O6 S2 -","1","0.5","","Antonio J. Calahorro; Antonio Peñas-Sanjuan; Manuel Melguizo; David Fairen-Jiménez; Guillermo Zaragoza; Belén Fernández; Alfonso Salinas-Castillo; Antonio Rodríguez-Diéguez","First Examples of Metal-Organic Frameworks with the Novel 3,3'-(1,2,4,5-Tetrazine-3,6-diyl)dibenzoic Spacer. Luminescence and Adsorption Properties","Inorganic Chemistry","2013","52","","546","548","10.1021/ic302318j","","x-ray","0.7107","MoKα","","0.0796","0.0598","","","0.1468","0.1644","","","","","","1.015","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333623","7.247","0.004","6.814","0.004","29.631","0.017","90","","90.015","0.009","90","","1463.2","1.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 N4 O5 Zn -","- C16 H10 N4 O5 Zn -","- C64 H40 N16 O20 Zn4 -","4","1","","Antonio J. Calahorro; Antonio Peñas-Sanjuan; Manuel Melguizo; David Fairen-Jiménez; Guillermo Zaragoza; Belén Fernández; Alfonso Salinas-Castillo; Antonio Rodríguez-Diéguez","First Examples of Metal-Organic Frameworks with the Novel 3,3'-(1,2,4,5-Tetrazine-3,6-diyl)dibenzoic Spacer. Luminescence and Adsorption Properties","Inorganic Chemistry","2013","52","","546","548","10.1021/ic302318j","","x-ray","0.7107","MoKα","","0.0734","0.0495","","","0.0992","0.1113","","","","","","1.02","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333624","9.9226","0.0005","9.9226","0.0005","3.9912","0.0002","90","","90","","120","","340.32","0.03","173","2","173","2","","","","","","","","4","P -6","P -6","174","cerium manganese copper arsenide (2/3/9/7)","cerium manganese copper arsenide (2/3/9/7)","","- As7 Ce2 Cu9 Mn3 -","- As7 Ce2 Cu9 Mn3 -","- As7 Ce2 Cu9 Mn3 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.024","0.022","","","0.0461","0.0466","","","","","","1.17","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333625","9.6444","0.0003","9.6444","0.0003","3.9027","0.0001","90","","90","","120","","314.374","0.016","173","2","173","2","","","","","","","","4","P -6","P -6","174","lanthanum manganese copper phosphide (2/3/9/7)","lanthanum manganese copper phosphide (2/3/9/7)","","- Cu9 La2 Mn3 P7 -","- Cu9 La2 Mn3 P7 -","- Cu9 La2 Mn3 P7 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0237","0.0232","","","0.0567","0.057","","","","","","1.212","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333626","9.6592","0.0003","9.6592","0.0003","3.8686","0.0001","90","","90","","120","","312.584","0.016","173","2","173","2","","","","","","","","4","P -6","P -6","174","cerium manganese copper phosphide (2/3/9/7)","cerium manganese copper phosphide (2/3/9/7)","","- Ce2 Cu9 Mn3 P7 -","- Ce2 Cu9 Mn3 P7 -","- Ce2 Cu9 Mn3 P7 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0133","0.0132","","","0.0287","0.0288","","","","","","1.147","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333627","9.6468","0.0004","9.6468","0.0004","3.8508","0.0002","90","","90","","120","","310.35","0.02","173","2","173","2","","","","","","","","4","P -6","P -6","174","praseodymium manganese copper phosphide (2/3/9/7)","praseodymium manganese copper phosphide (2/3/9/7)","","- Cu9 Mn3 P7 Pr2 -","- Cu9 Mn3 P7 Pr2 -","- Cu9 Mn3 P7 Pr2 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.024","0.0226","","","0.055","0.0557","","","","","","1.245","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333628","9.642","0.004","9.642","0.004","3.8404","0.0015","90","","90","","120","","309.2","0.2","173","2","173","2","","","","","","","","4","P -6","P -6","174","neodymium manganese copper phosphide (2/3/9/7)","neodymium manganese copper phosphide (2/3/9/7)","","- Cu9 Mn3 Nd2 P7 -","- Cu9 Mn3 Nd2 P7 -","- Cu9 Mn3 Nd2 P7 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0278","0.0247","","","0.0489","0.05","","","","","","1.149","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333629","9.6356","0.0002","9.6356","0.0002","3.8188","0.0002","90","","90","","120","","307.054","0.018","173","2","173","2","","","","","","","","4","P -6","P -6","174","samarium manganese copper phosphide (2/3/9/7)","samarium manganese copper phosphide (2/3/9/7)","","- Cu9 Mn3 P7 Sm2 -","- Cu9 Mn3 P7 Sm2 -","- Cu9 Mn3 P7 Sm2 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0126","0.0124","","","0.0277","0.0278","","","","","","1.134","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333630","9.5977","0.0007","9.5977","0.0007","3.7981","0.0003","90","","90","","120","","302.99","0.04","173","2","173","2","","","","","","","","4","P -6","P -6","174","gadolinium manganese copper phosphide (2/3/9/7)","gadolinium manganese copper phosphide (2/3/9/7)","","- Cu9 Gd2 Mn3 P7 -","- Cu9 Gd2 Mn3 P7 -","- Cu9 Gd2 Mn3 P7 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0247","0.0234","","","0.054","0.0548","","","","","","1.068","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333631","9.6016","0.0007","9.6016","0.0007","3.7867","0.0003","90","","90","","120","","302.33","0.04","173","2","173","2","","","","","","","","4","P -6","P -6","174","terbium manganese copper phosphide (2/3/9/7)","terbium manganese copper phosphide (2/3/9/7)","","- Cu9 Mn3 P7 Tb2 -","- Cu9 Mn3 P7 Tb2 -","- Cu9 Mn3 P7 Tb2 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0176","0.017","","","0.0382","0.0384","","","","","","1.151","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333632","9.597","0.0007","9.597","0.0007","3.7761","0.0003","90","","90","","120","","301.19","0.04","173","2","173","2","","","","","","","","4","P -6","P -6","174","dysprosium manganese copper phosphide (2/3/9/7)","dysprosium manganese copper phosphide (2/3/9/7)","","- Cu9 Dy2 Mn3 P7 -","- Cu9 Dy2 Mn3 P7 -","- Cu9 Dy2 Mn3 P7 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0287","0.0249","","","0.0476","0.0491","","","","","","1.118","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333633","9.9376","0.0006","9.9376","0.0006","4.0194","0.0002","90","","90","","120","","343.76","0.03","173","2","173","2","","","","","","","","4","P -6","P -6","174","lanthanum manganese copper arsenide (2/3/9/7)","lanthanum manganese copper arsenide (2/3/9/7)","","- As7 Cu9 La2 Mn3 -","- As7 Cu9 La2 Mn3 -","- As7 Cu9 La2 Mn3 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0298","0.024","","","0.0486","0.0506","","","","","","1.08","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333634","9.913","0.0003","9.913","0.0003","3.9611","0.0001","90","","90","","120","","337.098","0.017","173","2","173","2","","","","","","","","4","P -6","P -6","174","neodymium manganese copper arsenide (2/3/9/7)","neodymium manganese copper arsenide (2/3/9/7)","","- As7 Cu9 Mn3 Nd2 -","- As7 Cu9 Mn3 Nd2 -","- As7 Cu9 Mn3 Nd2 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0223","0.0223","","","0.0536","0.0536","","","","","","1.369","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333635","9.9196","0.0003","9.9196","0.0003","3.9748","0.0001","90","","90","","120","","338.715","0.017","173","2","173","2","","","","","","","","4","P -6","P -6","174","praseodymium manganese copper arsenide (2/3/9/7)","praseodymium manganese copper arsenide (2/3/9/7)","","- As7 Cu9 Mn3 Pr2 -","- As7 Cu9 Mn3 Pr2 -","- As7 Cu9 Mn3 Pr2 -","1","0.166667","","Stanislav S. Stoyko; Krishna K. Ramachandran; C. Scott Mullen; Arthur Mar","Rare-Earth Manganese Copper Pnictides RE2Mn3Cu9Pn7 (Pn = P, As): Quaternary Ordered Variants of the Zr2Fe12P7-Type Structure","Inorganic Chemistry","2013","52","","1040","1046","10.1021/ic3023375","","","0.71073","MoKα","","0.0188","0.0188","","","0.0475","0.0475","","","","","","1.306","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333636","16.2899","0.0019","14.2978","0.0017","16.912","0.002","90","","117.251","0.001","90","","3501.8","0.7","120","1","120","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H60 Cl2 F24 N8 Nd2 O32 S8 -","- C28 H44 Cl2 F24 N8 Nd2 O32 S8 -","- C56 H88 Cl4 F48 N16 Nd4 O64 S16 -","2","0.5","","Daniel P. Fagnant; George S. Goff; Brian L. Scott; Wolfgang Runde; Joan F. Brennecke","Switchable Phase Behavior of [HBet][Tf2N]-H2O upon Neodymium Loading: Implications for Lanthanide Separations","Inorganic Chemistry","2013","52","","549","551","10.1021/ic302359d","","","0.71073","MoKα","","0.0492","0.0335","","","0.0808","0.0878","","","","","","1.091","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333637","9.6818","0.0005","14.556","0.0008","14.371","0.0008","90","","98.273","0.002","90","","2004.2","0.19","100","2","100.09","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","trans-bis(imidazole)-(N,N'-ethylene-bis(acetylacetoniminato)) -cobalt(iii) tetraphenylborate ethanol solvate","","- C44 H51 B Co N6 O3 -","- C43.5 H51 B Co N6 O3 -","- C87 H102 B2 Co2 N12 O6 -","2","0.5","","Lisa M. Manus; Robert J. Holbrook; Tulay A. Atesin; Marie C. Heffern; Allison S. Harney; Amanda L. Eckermann; Thomas J. Meade","Axial Ligand Exchange of N-heterocyclic Cobalt(III) Schiff Base Complexes: Molecular Structure and NMR Solution Dynamics","Inorganic Chemistry","2013","52","","1069","1076","10.1021/ic302379j","","","0.71073","MoKα","","0.0597","0.0459","","","0.119","0.1278","","","","","","1.013","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333638","12.4323","0.0005","17.3432","0.0007","15.4529","0.0006","90","","93.308","0.002","90","","3326.3","0.2","100","2","99.97","","","","","","","","","6","C 1 c 1","C -2yc","9","","trans-bis(ammine)-(N,N'-ethylene-bis(acetylacetoniminato)) -cobalt(iii) tetraphenylborate","","- C36 H44 B Co N4 O2 -","- C36 H44 B Co N4 O2 -","- C144 H176 B4 Co4 N16 O8 -","4","1","","Lisa M. Manus; Robert J. Holbrook; Tulay A. Atesin; Marie C. Heffern; Allison S. Harney; Amanda L. Eckermann; Thomas J. Meade","Axial Ligand Exchange of N-heterocyclic Cobalt(III) Schiff Base Complexes: Molecular Structure and NMR Solution Dynamics","Inorganic Chemistry","2013","52","","1069","1076","10.1021/ic302379j","","","0.71073","MoKα","","0.0636","0.0426","","","0.1107","0.125","","","","","","0.809","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333639","23.538","0.005","14.372","0.003","15.616","0.003","90","","90","","90","","5282.7","1.9","100","2","100.14","","","","","","","","","6","P n a 21","P 2c -2n","33","","trans-bis(pyridine)-(N,N'-ethylene-bis(acetylacetoniminato)) -cobalt(iii) bromide ethanol solvate","","- C24 H36 Br Co N4 O4 -","- C24 H36 Br Co N4 O4 -","- C192 H288 Br8 Co8 N32 O32 -","8","2","","Lisa M. Manus; Robert J. Holbrook; Tulay A. Atesin; Marie C. Heffern; Allison S. Harney; Amanda L. Eckermann; Thomas J. Meade","Axial Ligand Exchange of N-heterocyclic Cobalt(III) Schiff Base Complexes: Molecular Structure and NMR Solution Dynamics","Inorganic Chemistry","2013","52","","1069","1076","10.1021/ic302379j","","","0.71073","MoKα","","0.0371","0.0362","","","0.0867","0.0871","","","","","","1.156","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333640","13.9254","0.0005","18.0542","0.0006","17.8151","0.0006","90","","97.647","0.0018","90","","4439.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 B Co N6 O4 -","- C48 H62 B Co N6 O4 -","- C192 H248 B4 Co4 N24 O16 -","4","1","","Lisa M. Manus; Robert J. Holbrook; Tulay A. Atesin; Marie C. Heffern; Allison S. Harney; Amanda L. Eckermann; Thomas J. Meade","Axial Ligand Exchange of N-heterocyclic Cobalt(III) Schiff Base Complexes: Molecular Structure and NMR Solution Dynamics","Inorganic Chemistry","2013","52","","1069","1076","10.1021/ic302379j","","","0.71073","MoKα","","0.0749","0.0479","","","0.1297","0.1437","","","","","","1.302","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333641","24.8162","0.0009","11.6873","0.0004","16.947","0.0006","90","","100.328","0.002","90","","4835.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41.2 H63.1 Cl2 Co2 N12 O6.35 -","- C41.2 H59.6 Cl2 Co2 N12 O6.35 -","- C164.8 H238.4 Cl8 Co8 N48 O25.4 -","4","1","","Lisa M. Manus; Robert J. Holbrook; Tulay A. Atesin; Marie C. Heffern; Allison S. Harney; Amanda L. Eckermann; Thomas J. Meade","Axial Ligand Exchange of N-heterocyclic Cobalt(III) Schiff Base Complexes: Molecular Structure and NMR Solution Dynamics","Inorganic Chemistry","2013","52","","1069","1076","10.1021/ic302379j","","","0.71073","MoKα","","0.1219","0.054","","","0.1255","0.1585","","","","","","0.914","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333642","14.7157","0.0004","18.6357","0.0005","19.1549","0.0005","82.42","0.001","70.389","0.001","89.244","0.001","4902.3","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H52 Cl N6 O2.25 P2 Ru -","- C52 H52 Cl N6 O2.25 P2 Ru -","- C208 H208 Cl4 N24 O9 P8 Ru4 -","4","2","","Brandon Quillian; Evan E. Joslin; T. Brent Gunnoe; Michal Sabat; William H. Myers","2,2,2-Tris(pyrazolyl)ethoxide (EpOX) Ruthenium(II) Complexes, (EpOX)RuCl(L)(L'): Synthesis, Structure, and Reactivity","Inorganic Chemistry","2013","52","","1113","1121","10.1021/ic3024474","","","0.71073","MoKα","","0.0688","0.0446","","","0.1334","0.1532","","","","","","1.007","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333643","12.7055","0.0002","16.1466","0.0002","18.7558","0.0003","90","","106.703","0.002","90","","3685.42","0.1","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H35 Cl7 N6 O7 P2 Ru -","- C25 H35 Cl7 N6 O7 P2 Ru -","- C100 H140 Cl28 N24 O28 P8 Ru4 -","4","1","","Brandon Quillian; Evan E. Joslin; T. Brent Gunnoe; Michal Sabat; William H. Myers","2,2,2-Tris(pyrazolyl)ethoxide (EpOX) Ruthenium(II) Complexes, (EpOX)RuCl(L)(L'): Synthesis, Structure, and Reactivity","Inorganic Chemistry","2013","52","","1113","1121","10.1021/ic3024474","","","0.71073","MoKα","","0.0475","0.035","","","0.1091","0.1225","","","","","","0.905","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333644","7.8352","0.0005","21.164","0.002","10.0444","0.0009","90","","105.157","0.007","90","","1607.7","0.2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H16 Mo4 N2 O13 -","- C4 H16 Mo4 N2 O13 -","- C16 H64 Mo16 N8 O52 -","4","1","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Hani El Moll; Jérôme Marrot; Michel Evain; Florian Molton; Carole Duboc; Philippe Deniard; Stéphane Jobic; Pierre Mialane; Rémi Dessapt","Sulfonium Polyoxometalates: A New Class of Solid-State Photochromic Hybrid Organic-Inorganic Materials","Inorganic Chemistry","2013","52","","555","557","10.1021/ic302477p","","x-ray","0.71069","MoKα","","0.0427","0.0227","","","0.0612","0.0666","","","","1","1","0.94","","","","has coordinates,has Fobs","179439","2020-10-21","18:00:00",""
"4333645","24.0818","0.0012","20.8949","0.001","17.6748","0.0007","90","","120.498","0.002","90","","7663.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Mo8 O26 S4 -","- C12 H36 Mo8 O26 S4 -","- C96 H288 Mo64 O208 S32 -","8","1","","Khadija Hakouk; Olivier Oms; Anne Dolbecq; Hani El Moll; Jérôme Marrot; Michel Evain; Florian Molton; Carole Duboc; Philippe Deniard; Stéphane Jobic; Pierre Mialane; Rémi Dessapt","Sulfonium Polyoxometalates: A New Class of Solid-State Photochromic Hybrid Organic-Inorganic Materials","Inorganic Chemistry","2013","52","","555","557","10.1021/ic302477p","","","0.71073","MoKα","","0.1015","0.0443","","","0.0905","0.1154","","","","","","1.008","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333646","31.1071","0.0006","31.1071","0.0006","54.3615","0.001","90","","90","","120","","45555.5","1.5","110","2","110","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C720 H584 B16 Co8 N72 -","- C624 H504 B12 Co8 N72 -","- C1872 H1512 B36 Co24 N216 -","3","0.166667","","Simon Turega; Martina Whitehead; Benjamin R. Hall; Anthony J. H. M. Meijer; Christopher A. Hunter; Michael D. Ward","Shape-, Size-, and Functional Group-Selective Binding of Small Organic Guests in a Paramagnetic Coordination Cage","Inorganic Chemistry","2013","52","","1122","1132","10.1021/ic302498t","","","0.71073","MoKα","","0.1184","0.0948","","","0.281","0.297","","","","","","1.216","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333647","13.049","0.003","13.957","0.003","18.266","0.004","90","","90","","90","","3326.7","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(HMQ)2Bi2Cl10","(HMQ)2Bi2Cl10","","- C22 H24 Bi2 Cl10 N4 O0 -","- C22 H24 Bi2 Cl10 N4 -","- C88 H96 Bi8 Cl40 N16 -","4","0.5","","Rong-Guang Lin; Gang Xu; Ming-Sheng Wang; Gang Lu; Pei-Xin Li; Guo-Cong Guo","Improved Photochromic Properties on Viologen-Based Inorganic-Organic Hybrids by Using π-Conjugated Substituents as Electron Donors and Stabilizers","Inorganic Chemistry","2013","52","","1199","1205","10.1021/ic301181b","","","0.71073","MoKα","","0.0441","0.0432","","","0.0889","0.0893","","","","","","1.374","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333648","10.5078","0.0019","10.9976","0.0019","18.979","0.004","76.743","0.006","87.521","0.007","72.98","0.005","2040.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(C17H16N2)2Bi2Cl10","(C17H16N2)2Bi2Cl10","","- C34 H32 Bi2 Cl10 N4 -","- C34 H32 Bi2 Cl10 N4 -","- C68 H64 Bi4 Cl20 N8 -","2","1","","Rong-Guang Lin; Gang Xu; Ming-Sheng Wang; Gang Lu; Pei-Xin Li; Guo-Cong Guo","Improved Photochromic Properties on Viologen-Based Inorganic-Organic Hybrids by Using π-Conjugated Substituents as Electron Donors and Stabilizers","Inorganic Chemistry","2013","52","","1199","1205","10.1021/ic301181b","","","0.71073","MoKα","","0.0234","0.0203","","","0.0477","0.0489","","","","","","1.066","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333649","9.958","0.007","10.917","0.007","11.074","0.008","70.96","0.03","67.43","0.03","74.46","0.04","1036.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(C18H18N2)2Bi2Cl10","(C18H18N2)2Bi2Cl10","","- C18 H18 Bi Cl5 N2 -","- C18 H18 Bi Cl5 N2 -","- C36 H36 Bi2 Cl10 N4 -","2","1","","Rong-Guang Lin; Gang Xu; Ming-Sheng Wang; Gang Lu; Pei-Xin Li; Guo-Cong Guo","Improved Photochromic Properties on Viologen-Based Inorganic-Organic Hybrids by Using π-Conjugated Substituents as Electron Donors and Stabilizers","Inorganic Chemistry","2013","52","","1199","1205","10.1021/ic301181b","","","0.71073","MoKα","","0.022","0.0204","","","0.047","0.0476","","","","","","1.032","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333650","13.3376","0.0004","15.522","0.0005","19.6685","0.0007","69.299","0.002","84.465","0.001","71.398","0.001","3609.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H45 Cl N6 O2 Pd -","- C38.5 H45 Cl N6 O2 Pd -","- C154 H180 Cl4 N24 O8 Pd4 -","4","2","","Sergey M. Borisov; Robert Saf; Roland Fischer; Ingo Klimant","Synthesis and Properties of New Phosphorescent Red Light-Excitable Platinum(II) and Palladium(II) Complexes with Schiff Bases for Oxygen Sensing and Triplet-Triplet Annihilation-Based Upconversion","Inorganic Chemistry","2013","52","","1206","1216","10.1021/ic301440k","","","0.71073","MoKα","","0.0721","0.0431","","","0.0947","0.1192","","","","","","1.123","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333651","9.0778","0.0004","11.8362","0.0005","11.9806","0.0005","101.056","0.001","108.737","0.001","95.195","0.001","1180.29","0.09","100","1","100","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C13 H34 Ba Cu N2 O16 -","- C13 H34 Ba Cu N2 O16 -","- C26 H68 Ba2 Cu2 N4 O32 -","2","1","","Zoran D. Matović; Vesna D. Miletić; Marina Ćendić; Auke Meetsma; Petra J. van Koningsbruggen; Robert J. Deeth","Synthetic, Crystallographic, and Computational Study of Copper(II) Complexes of Ethylenediaminetetracarboxylate Ligands","Inorganic Chemistry","2013","52","","1238","1247","10.1021/ic301609t","","","0.71073","MoKα","","0.0231","0.0224","","","0.0526","0.0529","","","","","","1.118","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333652","8.8053","0.0005","10.0981","0.0006","28.5084","0.0017","79.995","0.002","87.198","0.002","88.736","0.002","2493.1","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H38 F18 N9 O5 P3 Ru -","- C44 H38 F18 N9 O5 P3 Ru -","- C88 H76 F36 N18 O10 P6 Ru2 -","2","1","","Jan Dietrich; Ute Thorenz; Christoph Förster; Katja Heinze","Effects of Sequence, Connectivity, and Counter Ions in New Amide-Linked Ru(tpy)2-Re(bpy) Chromophores on Redox Chemistry and Photophysics","Inorganic Chemistry","2013","52","","1248","1264","10.1021/ic301632y","","","0.71073","MoKα","","0.1058","0.0475","","","0.0746","0.0866","","","","","","0.864","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333653","13.7348","0.0011","14.1615","0.0011","16.3271","0.0016","91.869","0.003","108.135","0.002","117.222","0.002","2625.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.8 H40.2 F12 N11.4 O3 P2 Ru -","- C48.8 H40.2 F12 N11.4 O3 P2 Ru -","- C97.6 H80.4 F24 N22.8 O6 P4 Ru2 -","2","1","","Jan Dietrich; Ute Thorenz; Christoph Förster; Katja Heinze","Effects of Sequence, Connectivity, and Counter Ions in New Amide-Linked Ru(tpy)2-Re(bpy) Chromophores on Redox Chemistry and Photophysics","Inorganic Chemistry","2013","52","","1248","1264","10.1021/ic301632y","","","0.71073","MoKα","","0.0665","0.0467","","","0.1252","0.1355","","","","","","0.976","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333654","10.8264","0.0006","21.5495","0.0011","22.5795","0.0011","90","","101.688","0.004","90","","5158.6","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sm@C2v-C80.BEDT-TTF.0.5toluene","","","- C93.5 H12 S8 Sm -","- C93.5 H12 S8 Sm -","- C374 H48 S32 Sm4 -","4","1","","Hua Yang; Zhimin Wang; Hongxiao Jin; Bo Hong; Ziyang Liu; Christine M. Beavers; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Characterization of Sm@C2v(3)-C80 Through Cocrystal Formation with NiII(octaethylporphyrin) or Bis(ethylenedithio)tetrathiafulvalene","Inorganic Chemistry","2013","52","","1275","1284","10.1021/ic301794r","","","0.7749","synchrotron","","0.116","0.0973","","","0.2593","0.2703","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333655","20.3181","0.0007","14.7432","0.0005","25.3393","0.0008","90","","96.408","0.002","90","","7543.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sm@C2v(3)-C80.Ni(OEP).1.68 toluene.0.32 benzene","","","- C129.68 H59.36 N4 Ni Sm -","- C129.682 H59.364 N4 Ni Sm0.99 -","- C518.728 H237.456 N16 Ni4 Sm3.96 -","4","1","","Hua Yang; Zhimin Wang; Hongxiao Jin; Bo Hong; Ziyang Liu; Christine M. Beavers; Marilyn M. Olmstead; Alan L. Balch","Isolation and Crystallographic Characterization of Sm@C2v(3)-C80 Through Cocrystal Formation with NiII(octaethylporphyrin) or Bis(ethylenedithio)tetrathiafulvalene","Inorganic Chemistry","2013","52","","1275","1284","10.1021/ic301794r","","","0.7749","synchrotron","","0.1253","0.0936","","","0.2688","0.3126","","","","","","1.041","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333656","21.8007","0.0007","22.9933","0.0007","14.0436","0.0004","90","","90.047","0.0016","90","","7039.6","0.4","100","","100","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H90 Mn3 N6 Na O18 -","- C48 H90 Mn3 N6 Na O18 -","- C192 H360 Mn12 N24 Na4 O72 -","4","1","","Fatemah Habib; Gabriel Brunet; Francis Loiseau; Thushan Pathmalingam; Tara J. Burchell; André M. Beauchemin; Wolfgang Wernsdorfer; Rodolphe Clérac; Muralee Murugesu","Turning on Single-Molecule Magnet Behavior in a Linear {Mn3} Compound","Inorganic Chemistry","2013","52","","1296","1303","10.1021/ic301820w","","","1.54178","CuKα","","0.0866","0.0558","","","0.1406","0.1547","","","","","","1.027","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333657","13.1029","0.0006","13.1029","0.0006","8.041","0.0004","90","","90","","120","","1195.57","0.1","293","2","293","2","","","","","","","","2","R 3 m :H","R 3 -2""","160","Au4.27Zn8.26","","","- Au4.27 Zn8.26 -","- Au4.2595 Zn8.268 -","- Au25.557 Zn49.608 -","6","0.333333","","Srinivasa Thimmaiah; Gordon J. Miller","rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System","Inorganic Chemistry","2013","52","","1328","1337","10.1021/ic301933a","","","0.71073","MoKα","","0.0691","0.0513","","","0.0995","0.1068","","","","","","1.101","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333658","13.1366","0.0006","13.1366","0.0006","8.103","0.0004","90","","90","","120","","1211","0.1","293","2","293","2","","","","","","","","2","R 3 m :H","R 3 -2""","160","Au4.84Zn7.85","","","- Au4.84 Zn7.85 -","- Au4.845 Zn7.855 -","- Au29.07 Zn47.13 -","6","0.333333","","Srinivasa Thimmaiah; Gordon J. Miller","rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System","Inorganic Chemistry","2013","52","","1328","1337","10.1021/ic301933a","","","0.71073","MoKα","","0.0758","0.0694","","","0.1318","0.1357","","","","","","1.228","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333659","13.1345","0.0008","13.1345","0.0008","8.1103","0.0006","90","","90","","120","","1211.7","0.14","293","2","293","2","","","","","","","","2","R 3 m :H","R 3 -2""","160","Au4.58Zn8.12","","","- Au4.58 Zn8.12 -","- Au4.572 Zn8.122 -","- Au27.432 Zn48.732 -","6","0.333333","","Srinivasa Thimmaiah; Gordon J. Miller","rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System","Inorganic Chemistry","2013","52","","1328","1337","10.1021/ic301933a","","","0.71073","MoKα","","0.0527","0.0398","","","0.0773","0.084","","","","","","1.028","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333660","13.133","0.005","13.133","0.005","8.096","0.005","90","","90","","120","","1209.3","1","293","2","293","2","","","","","","","","2","R 3 m :H","R 3 -2""","160","Au4.42Zn8.19","","","- Au4.42 Zn8.19 -","- Au4.4265 Zn8.185 -","- Au26.559 Zn49.11 -","6","0.333333","","Srinivasa Thimmaiah; Gordon J. Miller","rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System","Inorganic Chemistry","2013","52","","1328","1337","10.1021/ic301933a","","","0.71073","MoKα","","0.0844","0.0602","","","0.1046","0.1165","","","","","","1.087","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333661","22.641","0.006","22.641","0.006","7.972","0.003","90","","90","","120","","3539.1","1.9","293","2","293","2","","","","","","","","2","P 3 1 m","P 3 -2","157","Au72.5Zn150","","","- Au6.05 Zn12.51 -","- Au6.05 Zn12.5125 -","- Au72.6 Zn150.15 -","12","2","","Srinivasa Thimmaiah; Gordon J. Miller","rhombohedrally Distorted γ-Au5-xZn8+y Phases in the Au-Zn System","Inorganic Chemistry","2013","52","","1328","1337","10.1021/ic301933a","","","0.71073","MoKα","","0.1843","0.1005","","","0.2101","0.2626","","","","","","1.023","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333662","19.38","0.02","19.38","0.02","35.04","0.04","90","","90","","90","","13160","2","110","2","110","2","","","","","","","","4","I 4/m m m","-I 4 2","139","PCN-921","","","- C58 H28 O20 Zn4 -","- C58 H28 O20 Zn4 -","- C232 H112 O80 Zn16 -","4","0.125","","Zhangwen Wei; Weigang Lu; Hai-Long Jiang; Hong-Cai Zhou","A Route to Metal-Organic Frameworks through Framework Templating","Inorganic Chemistry","2013","52","","1164","1166","10.1021/ic3019937","","","0.71073","MoKα","","0.2081","0.0567","","","0.1133","0.148","","","","","","0.86","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333663","18.583","0.016","18.583","0.016","35.68","0.03","90","","90","","90","","12321","18","110","2","110","2","","","","","","","","4","I 4/m m m","-I 4 2","139","PCN-922","","","- C58 H28 Cu4 O20 -","- C58 H28 Cu4 O20 -","- C232 H112 Cu16 O80 -","4","0.125","","Zhangwen Wei; Weigang Lu; Hai-Long Jiang; Hong-Cai Zhou","A Route to Metal-Organic Frameworks through Framework Templating","Inorganic Chemistry","2013","52","","1164","1166","10.1021/ic3019937","","","0.71073","MoKα","","0.2133","0.0902","","","0.213","0.2621","","","","","","1.053","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333664","6.028","0.0002","16.873","0.001","5.9832","0.0002","90","","90","","90","","608.55","0.05","300","2","300","2","","","","","","","","4","I c m m","-I 2 2b","74","","Barium Indium Manganese Oxide","","- Ba2 In1.9 Mn0.1 O5.11 -","- Ba2 In1.9 Mn0.1 O5.11 -","- Ba8 In7.6 Mn0.4 O20.44 -","4","0.25","","Peng Jiang; Jun Li; A. Ozarowski; Arthur W. Sleight; M. A. Subramanian","Intense Turquoise and Green Colors in Brownmillerite-Type Oxides Based on Mn5+ in Ba2In2-xMnxO5+x","Inorganic Chemistry","2013","52","","1349","1357","10.1021/ic3020332","powder diffraction","neutron","1.066","neutron","","0.0349","0.0281","","","0.0166","0.0285","","","","","","1.95","","","","has coordinates","190391","2020-10-21","18:00:00",""
"4333665","5.9896","0.0004","5.9896","0.0004","16.949","0.002","90","","90","","90","","608.05","0.09","300","2","300","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Barium Indium Manganese Oxide","","- Ba2 In1.76 Mn0.24 O5.24 -","- Ba2 In1.76 Mn0.24 O5.22 -","- Ba8 In7.04 Mn0.96 O20.88 -","4","0.125","","Peng Jiang; Jun Li; A. Ozarowski; Arthur W. Sleight; M. A. Subramanian","Intense Turquoise and Green Colors in Brownmillerite-Type Oxides Based on Mn5+ in Ba2In2-xMnxO5+x","Inorganic Chemistry","2013","52","","1349","1357","10.1021/ic3020332","powder diffraction","neutron","1.066","neutron","","0.0337","0.0265","","","0.016","0.0271","","","","","","1.8","","","","has coordinates","190391","2020-10-21","18:00:00",""
"4333666","4.2208","0.0001","4.2208","0.0001","4.2208","0.0001","90","","90","","90","","75.194","0.003","300","2","300","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Barium Indium Manganese Oxide","","- Ba In0.82 Mn0.18 O2.5 -","- Ba In0.82 Mn0.18 O2.4999 -","- Ba In0.82 Mn0.18 O2.4999 -","1","0.0208333","","Peng Jiang; Jun Li; A. Ozarowski; Arthur W. Sleight; M. A. Subramanian","Intense Turquoise and Green Colors in Brownmillerite-Type Oxides Based on Mn5+ in Ba2In2-xMnxO5+x","Inorganic Chemistry","2013","52","","1349","1357","10.1021/ic3020332","powder diffraction","neutron","1.066","neutron","","0.0376","0.028","","","0.016","0.0282","","","","","","1.75","","","","has coordinates","190392","2020-10-21","18:00:00",""
"4333667","13.3694","0.0008","16.6678","0.0009","20.3617","0.0011","90","","99.601","0.004","90","","4473.8","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 B3 Cr F12 N6 O6 -","- C30 H36 B3 Cr F12 N6 O6 -","- C120 H144 B12 Cr4 F48 N24 O24 -","4","1","","Ashley M. McDaniel; Huan-Wei Tseng; Ethan A. Hill; Niels H. Damrauer; Anthony K. Rappé; Matthew P. Shores","Syntheses and Photophysical Investigations of Cr(III) Hexadentate Iminopyridine Complexes and Their Tris(Bidentate) Analogues","Inorganic Chemistry","2013","52","","1368","1378","10.1021/ic302055r","","","0.71073","MoKα","","0.0982","0.0803","","","0.2449","0.2602","","","","","","1.105","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333668","12.8725","0.0002","12.8725","0.0002","13.6811","0.0004","90","","90","","120","","1963.26","0.07","120","2","120","2","","","","","","","","7","P 63","P 6c","173","","","","- C32 H36 B3 Cr F12 N8 O6 -","- C32 H35.97 B3 Cr F12 N8 O6 -","- C64 H71.94 B6 Cr2 F24 N16 O12 -","2","0.333333","","Ashley M. McDaniel; Huan-Wei Tseng; Ethan A. Hill; Niels H. Damrauer; Anthony K. Rappé; Matthew P. Shores","Syntheses and Photophysical Investigations of Cr(III) Hexadentate Iminopyridine Complexes and Their Tris(Bidentate) Analogues","Inorganic Chemistry","2013","52","","1368","1378","10.1021/ic302055r","","","0.71073","MoKα","","0.0341","0.0294","","","0.0783","0.0882","","","","","","1.14","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333669","7.7232","0.0002","11.8735","0.0003","13.91","0.0004","92.446","0.001","103.558","0.001","93.918","0.001","1234.85","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 F16 N2 O2 S2 Zn -","- C26 F16 N2 O2 S2 Zn -","- C52 F32 N4 O4 S4 Zn2 -","2","1","","Zhe Li; Ahmed Dellali; Jahangir Malik; Majid Motevalli; Roger M. Nix; Toyin Olukoya; Yu Peng; Huanqing Ye; William P. Gillin; Ignacio Hernández; Peter B. Wyatt","Luminescent Zinc(II) Complexes of Fluorinated Benzothiazol-2-yl Substituted Phenoxide and Enolate Ligands","Inorganic Chemistry","2013","52","","1379","1387","10.1021/ic302063u","","","0.71073","MoKα","","0.0438","0.0427","","","0.1128","0.1137","","","","","","1.142","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333670","7.35","0.005","25.035","0.005","12.638","0.005","90","0.005","100.733","0.005","90","0.005","2284.8","1.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H8 F8 N2 O2 S2 Zn -","- C26 H8 F8 N2 O2 S2 Zn -","- C104 H32 F32 N8 O8 S8 Zn4 -","4","1","","Zhe Li; Ahmed Dellali; Jahangir Malik; Majid Motevalli; Roger M. Nix; Toyin Olukoya; Yu Peng; Huanqing Ye; William P. Gillin; Ignacio Hernández; Peter B. Wyatt","Luminescent Zinc(II) Complexes of Fluorinated Benzothiazol-2-yl Substituted Phenoxide and Enolate Ligands","Inorganic Chemistry","2013","52","","1379","1387","10.1021/ic302063u","","","0.71073","MoKα","","0.0441","0.0397","","","0.1034","0.1071","","","","","","0.878","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4333671","10.6956","0.0014","11.254","0.002","19.077","0.003","90","","103.523","0.009","90","","2232.6","0.6","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H2 F14 N2 O2 S2 Zn -","- C20 H2 F14 N2 O2 S2 Zn -","- C80 H8 F56 N8 O8 S8 Zn4 -","4","1","","Zhe Li; Ahmed Dellali; Jahangir Malik; Majid Motevalli; Roger M. Nix; Toyin Olukoya; Yu Peng; Huanqing Ye; William P. Gillin; Ignacio Hernández; Peter B. Wyatt","Luminescent Zinc(II) Complexes of Fluorinated Benzothiazol-2-yl Substituted Phenoxide and Enolate Ligands","Inorganic Chemistry","2013","52","","1379","1387","10.1021/ic302063u","","","0.71073","MoKα","","0.1312","0.078","","","0.1609","0.1853","","","","","","1.017","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333672","12.6004","0.0004","24.1084","0.0008","7.564","0.0003","90","","97.393","0.002","90","","2278.66","0.14","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H8 F8 N2 O2 S2 Zn -","- C26 H8 F8 N2 O2 S2 Zn -","- C104 H32 F32 N8 O8 S8 Zn4 -","4","1","","Zhe Li; Ahmed Dellali; Jahangir Malik; Majid Motevalli; Roger M. Nix; Toyin Olukoya; Yu Peng; Huanqing Ye; William P. Gillin; Ignacio Hernández; Peter B. Wyatt","Luminescent Zinc(II) Complexes of Fluorinated Benzothiazol-2-yl Substituted Phenoxide and Enolate Ligands","Inorganic Chemistry","2013","52","","1379","1387","10.1021/ic302063u","","","1.54178","CuKα","","0.0308","0.0284","","","0.0775","0.0791","","","","","","1.045","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333673","7.7002","0.0002","11.0829","0.0003","12.3763","0.0004","75.809","0.001","79.705","0.002","82.847","0.002","1003.87","0.05","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H10 F6 N2 O2 S2 Zn -","- C20 H10 F6 N2 O2 S2 Zn -","- C40 H20 F12 N4 O4 S4 Zn2 -","2","1","","Zhe Li; Ahmed Dellali; Jahangir Malik; Majid Motevalli; Roger M. Nix; Toyin Olukoya; Yu Peng; Huanqing Ye; William P. Gillin; Ignacio Hernández; Peter B. Wyatt","Luminescent Zinc(II) Complexes of Fluorinated Benzothiazol-2-yl Substituted Phenoxide and Enolate Ligands","Inorganic Chemistry","2013","52","","1379","1387","10.1021/ic302063u","","","0.71073","MoKα","","0.0474","0.0356","","","0.0795","0.0849","","","","","","1.029","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333674","8.622","0.0003","11.3026","0.0003","12.5469","0.0004","68.841","0.002","84.985","0.002","77.252","0.002","1112.13","0.06","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H2 Cu F14 N2 O2 S2 -","- C20 H2 Cu F14 N2 O2 S2 -","- C40 H4 Cu2 F28 N4 O4 S4 -","2","1","","Zhe Li; Ahmed Dellali; Jahangir Malik; Majid Motevalli; Roger M. Nix; Toyin Olukoya; Yu Peng; Huanqing Ye; William P. Gillin; Ignacio Hernández; Peter B. Wyatt","Luminescent Zinc(II) Complexes of Fluorinated Benzothiazol-2-yl Substituted Phenoxide and Enolate Ligands","Inorganic Chemistry","2013","52","","1379","1387","10.1021/ic302063u","","x-ray","0.71073","MoKα","","0.0725","0.0474","","","0.1073","0.1188","","","","","","1.055","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333675","12.3485","0.0005","13.4518","0.0011","19.6002","0.0015","90","","90","","90","","3255.8","0.4","293","2","293","2","","","","","","","","7","P n a a","-P 2ac 2bc","56","","","","- C22 H14 B4 F13 N2 O2 S8 -","- C22 H14 B4 F13 N2 O2 S8 -","- C88 H56 B16 F52 N8 O8 S32 -","4","0.5","","Fabrice Pointillart; Boris Le Guennic; Olivier Maury; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","Lanthanide Dinuclear Complexes Involving Tetrathiafulvalene-3-pyridine-N-oxide Ligand: Semiconductor Radical Salt, Magnetic, and Photophysical Studies","Inorganic Chemistry","2013","52","","1398","1408","10.1021/ic302095h","","","0.71073","MoKα","","0.1055","0.0628","","","0.1655","0.193","","","","","","1.04","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333676","14.1053","0.0003","18.1336","0.0004","18.9155","0.0005","90","","103.234","0.001","90","","4709.71","0.19","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C70.5 H39 Cl Eu2 F18 N2 O14 S14 -","- C70.5 H39 Cl Eu2 F18 N2 O14 S14 -","- C141 H78 Cl2 Eu4 F36 N4 O28 S28 -","2","0.5","","Fabrice Pointillart; Boris Le Guennic; Olivier Maury; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","Lanthanide Dinuclear Complexes Involving Tetrathiafulvalene-3-pyridine-N-oxide Ligand: Semiconductor Radical Salt, Magnetic, and Photophysical Studies","Inorganic Chemistry","2013","52","","1398","1408","10.1021/ic302095h","","","0.71073","MoKα","","0.0787","0.0558","","","0.1803","0.2128","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333677","14.316","0.0002","18.271","0.0005","18.973","0.0005","90","","103.876","0.005","90","","4817.9","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H38 Eu2 F18 N2 O14 S14 -","- C70 H38 Eu2 F18 N2 O14 S14 -","- C140 H76 Eu4 F36 N4 O28 S28 -","2","0.5","","Fabrice Pointillart; Boris Le Guennic; Olivier Maury; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","Lanthanide Dinuclear Complexes Involving Tetrathiafulvalene-3-pyridine-N-oxide Ligand: Semiconductor Radical Salt, Magnetic, and Photophysical Studies","Inorganic Chemistry","2013","52","","1398","1408","10.1021/ic302095h","","","0.71073","MoKα","","0.104","0.062","","","0.1674","0.2075","","","","","","1.087","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333678","14.2823","0.0003","18.352","0.0006","19.0377","0.0006","90","","103.845","0.002","90","","4845","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H38 F18 N2 Nd2 O14 S14 -","- C68.024 H38 F18 N2 Nd2 O14 S14 -","- C136.048 H76 F36 N4 Nd4 O28 S28 -","2","0.5","","Fabrice Pointillart; Boris Le Guennic; Olivier Maury; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","Lanthanide Dinuclear Complexes Involving Tetrathiafulvalene-3-pyridine-N-oxide Ligand: Semiconductor Radical Salt, Magnetic, and Photophysical Studies","Inorganic Chemistry","2013","52","","1398","1408","10.1021/ic302095h","","","0.71073","MoKα","","0.1001","0.0604","","","0.1642","0.2078","","","","","","1.101","","","","has coordinates,has disorder","179439","2020-10-21","18:00:00",""
"4333679","14.0934","0.0006","18.0179","0.0008","18.7426","0.0008","90","","103.013","0.0015","90","","4637.1","0.3","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C70.5 H39 Cl F18 N2 O14 S14 Tb2 -","- C70.5 H40 Cl F18 N2 O14 S14 Tb2 -","- C141 H80 Cl2 F36 N4 O28 S28 Tb4 -","2","0.5","","Fabrice Pointillart; Boris Le Guennic; Olivier Maury; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","Lanthanide Dinuclear Complexes Involving Tetrathiafulvalene-3-pyridine-N-oxide Ligand: Semiconductor Radical Salt, Magnetic, and Photophysical Studies","Inorganic Chemistry","2013","52","","1398","1408","10.1021/ic302095h","","","0.71073","MoKα","","0.0856","0.054","","","0.1712","0.206","","","","","","1.111","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333680","8.9356","0.001","12.285","0.0019","18.6118","0.0017","101.871","0.016","99.168","0.01","97.776","0.012","1943.8","0.4","200","2","200","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H40 F6 Ir2 O7 S4 -","- C30 H39 F6 Ir2 O7 S4 -","- C60 H78 F12 Ir4 O14 S8 -","2","2","","Aurélie Damas; Lise-Marie Chamoreau; Andrew L. Cooksy; Anny Jutand; Hani Amouri","π-Bonded Dithiolene Complexes: Synthesis, Molecular Structures, Electrochemical Behavior, and Density Functional Theory Calculations","Inorganic Chemistry","2013","52","","1409","1417","10.1021/ic302128q","","","0.71073","MoKα","","0.0693","0.0403","","","0.0774","0.0858","","","","","","0.986","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333681","15.853","0.002","14.1687","0.0012","17.017","0.003","90","","91.915","0.013","90","","3820.2","0.9","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 Cl2 Ir O0 S2 -","- C17 H21 Cl2 Ir S2 -","- C136 H168 Cl16 Ir8 S16 -","8","2","","Aurélie Damas; Lise-Marie Chamoreau; Andrew L. Cooksy; Anny Jutand; Hani Amouri","π-Bonded Dithiolene Complexes: Synthesis, Molecular Structures, Electrochemical Behavior, and Density Functional Theory Calculations","Inorganic Chemistry","2013","52","","1409","1417","10.1021/ic302128q","","","0.71073","MoKα","","0.1551","0.1038","","","0.2408","0.2644","","","","","","1.164","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333682","23.03","0.003","12.2191","0.0015","24.711","0.002","90","","94.484","0.009","90","","6932.5","1.4","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 B0 F12 Ir2 O13 Rh2 S8 -","- C56 H68 F12 Ir2 O13 Rh2 S8 -","- C224 H272 F48 Ir8 O52 Rh8 S32 -","4","1","","Aurélie Damas; Lise-Marie Chamoreau; Andrew L. Cooksy; Anny Jutand; Hani Amouri","π-Bonded Dithiolene Complexes: Synthesis, Molecular Structures, Electrochemical Behavior, and Density Functional Theory Calculations","Inorganic Chemistry","2013","52","","1409","1417","10.1021/ic302128q","","","0.71073","MoKα","","0.0689","0.0431","","","0.1039","0.1163","","","","","","1.018","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333683","6.532","0.0005","31.944","0.003","12.539","0.0003","90","","113.171","0.005","90","","2405.3","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 B2 N2 O3 Sb -","- C24 H29 B2 N2 O3 Sb -","- C96 H116 B8 N8 O12 Sb4 -","4","1","","Barbora Mairychová; Tomáš Svoboda; Petr Štěpnička; Aleš Růžička; Remco W. A. Havenith; Mercedes Alonso; Frank De Proft; Roman Jambor; Libor Dostál","Synthesis and Structural Characterization of Heteroboroxines with MB2O3 Core (M = Sb, Bi, Sn)","Inorganic Chemistry","2013","52","","1424","1431","10.1021/ic302153s","","","0.71073","MoKα","","0.0517","0.0332","","","0.0578","0.0643","","","","","","1.087","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333684","20.409","0.0009","12.1311","0.001","12.48","0.0014","90","","95.455","0.005","90","","3075.9","0.4","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 B2 Fe2 N2 O3 Sb -","- C32 H37 B2 Fe2 N2 O3 Sb -","- C128 H148 B8 Fe8 N8 O12 Sb4 -","4","1","","Barbora Mairychová; Tomáš Svoboda; Petr Štěpnička; Aleš Růžička; Remco W. A. Havenith; Mercedes Alonso; Frank De Proft; Roman Jambor; Libor Dostál","Synthesis and Structural Characterization of Heteroboroxines with MB2O3 Core (M = Sb, Bi, Sn)","Inorganic Chemistry","2013","52","","1424","1431","10.1021/ic302153s","","","0.71073","MoKα","","0.0659","0.0392","","","0.062","0.0704","","","","","","1.1","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333685","12.661","0.0009","24.1351","0.001","9.295","0.0013","90","","90","","90","","2840.3","0.5","150","1","150","1","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H27 B2 Bi F6 N2 O3 -","- C26 H27 B2 Bi F6 N2 O3 -","- C104 H108 B8 Bi4 F24 N8 O12 -","4","0.5","","Barbora Mairychová; Tomáš Svoboda; Petr Štěpnička; Aleš Růžička; Remco W. A. Havenith; Mercedes Alonso; Frank De Proft; Roman Jambor; Libor Dostál","Synthesis and Structural Characterization of Heteroboroxines with MB2O3 Core (M = Sb, Bi, Sn)","Inorganic Chemistry","2013","52","","1424","1431","10.1021/ic302153s","","","0.71073","MoKα","","0.0545","0.0395","","","0.0853","0.0931","","","","","","1.098","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333686","22.36","0.0006","13.27","0.001","11.0911","0.0016","90","","93.94","0.006","90","","3283.1","0.5","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 B2 F6 N2 O3 Sn -","- C32 H32 B2 F6 N2 O3 Sn -","- C128 H128 B8 F24 N8 O12 Sn4 -","4","1","","Barbora Mairychová; Tomáš Svoboda; Petr Štěpnička; Aleš Růžička; Remco W. A. Havenith; Mercedes Alonso; Frank De Proft; Roman Jambor; Libor Dostál","Synthesis and Structural Characterization of Heteroboroxines with MB2O3 Core (M = Sb, Bi, Sn)","Inorganic Chemistry","2013","52","","1424","1431","10.1021/ic302153s","","","0.71073","MoKα","","0.1007","0.0582","","","0.1045","0.1241","","","","","","1.117","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333687","11.5029","0.0013","16.3892","0.0014","18.99","0.0013","90","","90","","90","","3580.1","0.6","150","1","150","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H42 B2 Fe2 N2 O3 Sn -","- C38 H42 B2 Fe2 N2 O3 Sn -","- C152 H168 B8 Fe8 N8 O12 Sn4 -","4","1","","Barbora Mairychová; Tomáš Svoboda; Petr Štěpnička; Aleš Růžička; Remco W. A. Havenith; Mercedes Alonso; Frank De Proft; Roman Jambor; Libor Dostál","Synthesis and Structural Characterization of Heteroboroxines with MB2O3 Core (M = Sb, Bi, Sn)","Inorganic Chemistry","2013","52","","1424","1431","10.1021/ic302153s","","","0.71073","MoKα","","0.0417","0.0315","","","0.0583","0.0639","","","","","","1.13","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333688","10.205","0.003","13.222","0.004","22.065","0.006","82.369","0.005","87.672","0.005","75.108","0.005","2851.7","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H20 F6 Fe N4 O6 S2 -","- C28 H20 F6 Fe N4 O6 S2 -","- C112 H80 F24 Fe4 N16 O24 S8 -","4","2","","Nabanita Sadhukhan; Mithun Sarkar; Tapas Ghatak; S. M. Wahidur Rahaman; Leonard J. Barbour; Jitendra K. Bera","Reactions of Acids with Naphthyridine-Functionalized Ferrocenes: Protonation and Metal Extrusion","Inorganic Chemistry","2013","52","","1432","1442","10.1021/ic302155e","","","0.71073","MoKα","","0.1179","0.0669","","","0.1453","0.1916","","","","","","1.06","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333689","17.0369","0.0007","11.8732","0.0005","20.1878","0.0009","90","","114.791","0.001","90","","3707.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F3 Fe N2 O3 S -","- C19 H15 F3 Fe N2 O3 S -","- C152 H120 F24 Fe8 N16 O24 S8 -","8","2","","Nabanita Sadhukhan; Mithun Sarkar; Tapas Ghatak; S. M. Wahidur Rahaman; Leonard J. Barbour; Jitendra K. Bera","Reactions of Acids with Naphthyridine-Functionalized Ferrocenes: Protonation and Metal Extrusion","Inorganic Chemistry","2013","52","","1432","1442","10.1021/ic302155e","","","0.71073","MoKα","","0.0671","0.044","","","0.1042","0.1212","","","","","","1.057","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333690","10.8588","0.0008","9.2461","0.0007","18.2394","0.0014","90","","95.485","0.001","90","","1822.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 F6 Fe3 N4 O6 -","- C40 H32 F6 Fe3 N4 O6 -","- C80 H64 F12 Fe6 N8 O12 -","2","0.5","","Nabanita Sadhukhan; Mithun Sarkar; Tapas Ghatak; S. M. Wahidur Rahaman; Leonard J. Barbour; Jitendra K. Bera","Reactions of Acids with Naphthyridine-Functionalized Ferrocenes: Protonation and Metal Extrusion","Inorganic Chemistry","2013","52","","1432","1442","10.1021/ic302155e","","","0.71073","MoKα","","0.0639","0.0403","","","0.0926","0.1055","","","","","","1.094","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333691","10.8059","0.001","20.0299","0.0019","14.4707","0.0014","90","","103.468","0.002","90","","3045.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H34 F24 Fe5 N4 O18 -","- C52 H34 F24 Fe5 N4 O18 -","- C104 H68 F48 Fe10 N8 O36 -","2","0.5","","Nabanita Sadhukhan; Mithun Sarkar; Tapas Ghatak; S. M. Wahidur Rahaman; Leonard J. Barbour; Jitendra K. Bera","Reactions of Acids with Naphthyridine-Functionalized Ferrocenes: Protonation and Metal Extrusion","Inorganic Chemistry","2013","52","","1432","1442","10.1021/ic302155e","","","0.71073","MoKα","","0.0441","0.0372","","","0.0888","0.0927","","","","","","0.98","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333692","10.547","0.0009","17.1793","0.0015","17.3383","0.0015","60.413","0.001","89.053","0.002","88.38","0.002","2730.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 Cl9 Fe5 N6 -","- C54 H45 Cl9 Fe5 N6 -","- C108 H90 Cl18 Fe10 N12 -","2","1","","Nabanita Sadhukhan; Mithun Sarkar; Tapas Ghatak; S. M. Wahidur Rahaman; Leonard J. Barbour; Jitendra K. Bera","Reactions of Acids with Naphthyridine-Functionalized Ferrocenes: Protonation and Metal Extrusion","Inorganic Chemistry","2013","52","","1432","1442","10.1021/ic302155e","","","0.71073","MoKα","","0.1119","0.0466","","","0.0933","0.1201","","","","","","0.939","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333693","10.06","0.001","10.2769","0.0011","12.5815","0.0013","98.906","0.002","106.418","0.002","101.995","0.002","1188.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H32 Cl2 Fe4 N10 O14 -","- C48 H32 Cl2 Fe4 N10 O14 -","- C48 H32 Cl2 Fe4 N10 O14 -","1","0.5","","Nabanita Sadhukhan; Mithun Sarkar; Tapas Ghatak; S. M. Wahidur Rahaman; Leonard J. Barbour; Jitendra K. Bera","Reactions of Acids with Naphthyridine-Functionalized Ferrocenes: Protonation and Metal Extrusion","Inorganic Chemistry","2013","52","","1432","1442","10.1021/ic302155e","","","0.71073","MoKα","","0.0804","0.0509","","","0.1085","0.1265","","","","","","1.026","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333694","9.0818","0.001","11.8202","0.0014","12.41","0.0014","117.74","0.002","98.255","0.002","93.425","0.002","1154.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H19 F3 Fe N4 O3 S -","- C27 H19 F3 Fe N4 O3 S -","- C54 H38 F6 Fe2 N8 O6 S2 -","2","1","","Nabanita Sadhukhan; Mithun Sarkar; Tapas Ghatak; S. M. Wahidur Rahaman; Leonard J. Barbour; Jitendra K. Bera","Reactions of Acids with Naphthyridine-Functionalized Ferrocenes: Protonation and Metal Extrusion","Inorganic Chemistry","2013","52","","1432","1442","10.1021/ic302155e","","","0.71073","MoKα","","0.043","0.0368","","","0.0933","0.0972","","","","","","1.046","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333695","9.8632","0.0003","12.1049","0.0003","14.5903","0.0004","100.557","0.002","98.626","0.002","108.557","0.002","1582.39","0.08","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H28 B Co F4 N4 O7 -","- C34 H28 B Co F4 N4 O7 -","- C68 H56 B2 Co2 F8 N8 O14 -","2","1","","Francisco L. S. Bustamante; Julia M. Metello; Frederico A. V. de Castro; Carlos B. Pinheiro; Marcos D. Pereira; Mauricio Lanznaster","Lawsone Dimerization in Cobalt(III) Complexes toward the Design of New Prototypes of Bioreductive Prodrugs","Inorganic Chemistry","2013","52","","1167","1169","10.1021/ic302175t","","","1.5418","CuKα","","0.0492","0.0392","","","0.0979","0.1023","","","","","","1.067","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333696","24.559","0.002","9.5482","0.0009","11.6554","0.0011","90","","102.557","0.001","90","","2667.7","0.4","153","2","153","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26 H38 Cl2 N2 O2 Ru S2 -","- C26 H38 Cl2 N2 O2 Ru S2 -","- C104 H152 Cl8 N8 O8 Ru4 S8 -","4","1","","Peter O. Atolagbe; Krista N. Taylor; Samantha E. Wood; Arnold L. Rheingold; Lenora K. Harper; Craig A. Bayse; Tim J. Brunker","Ruthenium(II) Dichloride Complexes of Chiral, Tetradentate Aminosulfoxide Ligands: Stereoisomerism and Redox-Induced Linkage Isomerism","Inorganic Chemistry","2013","52","","1170","1172","10.1021/ic302188y","","","0.71073","MoKα","","0.0205","0.0199","","","0.0507","0.0512","","","","","","1.016","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333697","12.7705","0.0006","12.8827","0.0007","14.5232","0.0007","90","","90","","90","","2389.3","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl2 N2 O2 Ru S2 -","- C22 H32 Cl2 N2 O2 Ru S2 -","- C88 H128 Cl8 N8 O8 Ru4 S8 -","4","1","","Peter O. Atolagbe; Krista N. Taylor; Samantha E. Wood; Arnold L. Rheingold; Lenora K. Harper; Craig A. Bayse; Tim J. Brunker","Ruthenium(II) Dichloride Complexes of Chiral, Tetradentate Aminosulfoxide Ligands: Stereoisomerism and Redox-Induced Linkage Isomerism","Inorganic Chemistry","2013","52","","1170","1172","10.1021/ic302188y","","","0.71073","MoKα","","0.0388","0.0357","","","0.0796","0.0811","","","","","","1.107","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333698","12.7404","0.0004","12.8703","0.0004","24.2765","0.0007","77.185","0.002","88.302","0.002","61.962","0.002","3413.1","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C85 H73 Ni2 P5 -","- C85.5 H65 Ni2 P5 -","- C171 H130 Ni4 P10 -","2","1","","Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du","Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies","Inorganic Chemistry","2013","52","","1454","1465","10.1021/ic3021904","","","0.71073","MoKα","","0.1189","0.0561","","","0.1373","0.177","","","","","","0.933","","","","has coordinates","179439","2020-10-21","18:00:00",""
"4333699","9.783","0.0002","15.0674","0.0002","21.6014","0.0015","90","","90","","90","","3184.1","0.2","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H37 N2 Ni O P -","- C38 H37 N2 Ni O P -","- C152 H148 N8 Ni4 O4 P4 -","4","1","","Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du","Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies","Inorganic Chemistry","2013","52","","1454","1465","10.1021/ic3021904","","","0.71075","MoKα","","0.0271","0.0246","","0.0458","0.0438","0.0458","","","","","","0.9425","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333700","9.7903","0.0002","15.3617","0.0004","21.5085","0.0015","90","","90","","90","","3234.8","0.2","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H39 N2 Ni O P -","- C39 H39 N2 Ni O P -","- C156 H156 N8 Ni4 O4 P4 -","4","1","","Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du","Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies","Inorganic Chemistry","2013","52","","1454","1465","10.1021/ic3021904","","","0.71075","MoKα","","0.0778","0.0456","","0.1004","0.0748","0.1004","","","","","","0.9724","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333701","9.8428","0.0001","15.0952","0.0003","21.8779","0.0015","90","","90","","90","","3250.6","0.2","123","","123","","","","101","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H39 N2 Ni O P -","- C39 H39 N2 Ni O P -","- C156 H156 N8 Ni4 O4 P4 -","4","1","","Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du","Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies","Inorganic Chemistry","2013","52","","1454","1465","10.1021/ic3021904","","","0.71075","MoKα","","0.0301","0.0276","","0.0574","0.0553","0.0574","","","","","","0.9765","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333702","9.2807","0.0002","11.2227","0.0003","17.2906","0.0004","108.26","0.001","92.204","0.001","103.097","0.001","1654.02","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H35 N2 Ni O P -","- C41 H35 N2 Ni O P -","- C82 H70 N4 Ni2 O2 P2 -","2","1","","Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du","Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies","Inorganic Chemistry","2013","52","","1454","1465","10.1021/ic3021904","","","0.71073","MoKα","","0.0451","0.0351","","","0.0951","0.1017","","","","","","1.047","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333703","11.4071","0.0003","20.7893","0.0007","33.113","0.002","90","","90","","90","","7852.6","0.6","123","","123","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C93 H84 Cl Li N2 Ni O5 P4 -","- C93 H84 Cl Li N2 Ni O5 P4 -","- C372 H336 Cl4 Li4 N8 Ni4 O20 P16 -","4","1","","Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du","Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies","Inorganic Chemistry","2013","52","","1454","1465","10.1021/ic3021904","","","0.71075","MoKα","","0.1049","0.0598","","0.0951","0.0818","0.0951","","","","","","0.9568","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333704","10.7615","0.0011","10.8922","0.0011","15.777","0.0016","90","","90","","90","","1849.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N2 O -","- C23 H22 N2 O -","- C92 H88 N8 O4 -","4","1","","Zhengliang Lu; Srinivas Abbina; Jared R. Sabin; Victor N. Nemykin; Guodong Du","Unexpected Formation of Chiral Pincer CNN Nickel Complexes with β-Diketiminato Type Ligands via C-H Activation: Synthesis, Properties, Structures, and Computational Studies","Inorganic Chemistry","2013","52","","1454","1465","10.1021/ic3021904","","","0.71073","MoKα","","0.0407","0.0381","","","0.1014","0.1039","","","","","","1.038","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333705","6.608","0.004","8.627","0.007","16.504","0.016","97.67","0.08","93.65","0.07","106.33","0.07","889.7","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H28 B P Si2 -","- C13 H28 B P Si2 -","- C26 H56 B2 P2 Si4 -","2","1","","Keith Izod; James M. Watson; William Clegg; Ross W. Harrington","Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study","Inorganic Chemistry","2013","52","","1466","1475","10.1021/ic302205b","","","0.71073","MoKα","","0.1315","0.077","","","0.1854","0.2229","","","","","","1.041","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333706","6.2819","0.0004","10.6424","0.0007","19.6382","0.0014","96.9636","0.0007","93.8785","0.0008","101.664","0.0008","1270.56","0.15","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H43 B Li O2 P Si2 -","- C21 H43 B Li O2 P Si2 -","- C42 H86 B2 Li2 O4 P2 Si4 -","2","1","","Keith Izod; James M. Watson; William Clegg; Ross W. Harrington","Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study","Inorganic Chemistry","2013","52","","1466","1475","10.1021/ic302205b","","","0.6941","synchrotron","","0.055","0.0434","","","0.1157","0.1231","","","","","","1.031","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333707","30.851","0.008","11.927","0.003","22.254","0.006","90","","114.293","0.003","90","","7464","3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H59 B Na O8 P Si2 -","- C29 H59 B Na O8 P Si2 -","- C232 H472 B8 Na8 O64 P8 Si16 -","8","1","","Keith Izod; James M. Watson; William Clegg; Ross W. Harrington","Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study","Inorganic Chemistry","2013","52","","1466","1475","10.1021/ic302205b","","","0.6946","synchrotron","","0.0548","0.0396","","","0.0949","0.102","","","","","","1.025","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333708","9.8704","0.0007","13.1887","0.001","13.5125","0.001","105.817","0.007","107.826","0.006","100.218","0.007","1544.5","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H50 B K N3 P Si2 -","- C22 H50 B K N3 P Si2 -","- C44 H100 B2 K2 N6 P2 Si4 -","2","1","","Keith Izod; James M. Watson; William Clegg; Ross W. Harrington","Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study","Inorganic Chemistry","2013","52","","1466","1475","10.1021/ic302205b","","","0.71073","MoKα","","0.0661","0.0533","","","0.1344","0.1498","","","","","","1.071","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4333709","15.028","0.0003","12.7789","0.0003","14.9822","0.0003","90","","92.8258","0.0017","90","","2873.7","0.11","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H46 B2 Li O4 P Si2 -","- C21 H46 B2 Li O4 P Si2 -","- C84 H184 B8 Li4 O16 P4 Si8 -","4","1","","Keith Izod; James M. Watson; William Clegg; Ross W. Harrington","Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study","Inorganic Chemistry","2013","52","","1466","1475","10.1021/ic302205b","","","1.54184","CuKα","","0.0739","0.0679","","","0.1893","0.1958","","","","","","1.066","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333710","9.661","0.003","12.453","0.002","12.956","0.004","85.291","0.018","71.807","0.019","81.117","0.016","1462.1","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H46 B2 Na O2 P Si2 -","- C21 H46 B2 Na O2 P Si2 -","- C42 H92 B4 Na2 O4 P2 Si4 -","2","1","","Keith Izod; James M. Watson; William Clegg; Ross W. Harrington","Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study","Inorganic Chemistry","2013","52","","1466","1475","10.1021/ic302205b","","","0.71073","MoKα","","0.068","0.0505","","","0.127","0.1486","","","","","","1.062","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4333711","8.4901","0.0004","9.7266","0.0005","14.6681","0.0007","76.367","0.004","89.297","0.004","71.341","0.004","1112.66","0.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H68 B4 K2 O P2 Si4 -","- C30 H68 B4 K2 O P2 Si4 -","- C30 H68 B4 K2 O P2 Si4 -","1","0.5","","Keith Izod; James M. Watson; William Clegg; Ross W. Harrington","Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study","Inorganic Chemistry","2013","52","","1466","1475","10.1021/ic302205b","","","0.71073","MoKα","","0.0504","0.0328","","","0.0779","0.0814","","","","","","0.923","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333712","8.6961","0.0003","30.2919","0.0011","23.9712","0.0009","90","","90","","90","","6314.5","0.4","150","2","150","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C21 H46 B2 K O2 P Si2 -","- C21 H46 B2 K O2 P Si2 -","- C168 H368 B16 K8 O16 P8 Si16 -","8","1","","Keith Izod; James M. Watson; William Clegg; Ross W. Harrington","Phosphido-Borane and Phosphido-Bis(Borane) Complexes of the Alkali Metals, a Comparative Study","Inorganic Chemistry","2013","52","","1466","1475","10.1021/ic302205b","","","0.71073","MoKα","","0.0802","0.0512","","","0.1327","0.1397","","","","","","0.987","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333713","11.012","0.005","12.403","0.005","15.839","0.007","90","","90","","90","","2163.3","1.6","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- Mo O6 P Rb -","- Mo O6 P Rb -","- Mo16 O96 P16 Rb16 -","16","0.5","","Ying Wang; Shilie Pan; Xin Su; Zhihua Yang; Lingyun Dong; Min Zhang","New Molybdenum(VI) Phosphates: Synthesis, Characterization, and Calculations of Centrosymmetric RbMoO2PO4 and Noncentrosymmetric Rb4Mo5P2O22","Inorganic Chemistry","2013","52","","1488","1495","10.1021/ic302246c","","","0.71073","MoKα","","0.0253","0.0227","","","0.061","0.0623","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333714","6.53","0.0005","19.7834","0.0018","17.3451","0.0015","90","","90","","90","","2240.7","0.3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- Mo5 O22 P2 Rb4 -","- Mo5 O22 P2 Rb4 -","- Mo20 O88 P8 Rb16 -","4","0.5","","Ying Wang; Shilie Pan; Xin Su; Zhihua Yang; Lingyun Dong; Min Zhang","New Molybdenum(VI) Phosphates: Synthesis, Characterization, and Calculations of Centrosymmetric RbMoO2PO4 and Noncentrosymmetric Rb4Mo5P2O22","Inorganic Chemistry","2013","52","","1488","1495","10.1021/ic302246c","","","0.71073","MoKα","","0.0369","0.0281","","","0.0421","0.0445","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333715","13.325","0.0006","20.615","0.0011","18.486","0.0009","90","","100.491","0.002","90","","4993.1","0.4","150","2","150","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","","","","- C98 H84 Cl0 Cu4 F12 N10 O0 P6 -","- C98 H84 Cu4 F12 N10 P6 -","- C196 H168 Cu8 F24 N20 P12 -","2","0.5","","Volodymyr Vreshch; Brigitte Nohra; Christophe Lescop; Régis Réau","Synthesis of Small Tetranuclear Cu(I) Metallacycles Based on Bridging Pseudohalogenide Ions","Inorganic Chemistry","2013","52","","1496","1503","10.1021/ic3022535","","x-ray","0.71069","MoKα","","0.0688","0.0599","","","0.1745","0.1811","","","","","","1.063","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333716","25.039","0.002","15.5308","0.0012","30.655","0.003","90","","100.474","0.003","90","","11722.4","1.7","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H84 Cu4 F6 N14 P5 -","- C104 H84 Cu4 F6 N14 P5 -","- C416 H336 Cu16 F24 N56 P20 -","4","0.5","","Volodymyr Vreshch; Brigitte Nohra; Christophe Lescop; Régis Réau","Synthesis of Small Tetranuclear Cu(I) Metallacycles Based on Bridging Pseudohalogenide Ions","Inorganic Chemistry","2013","52","","1496","1503","10.1021/ic3022535","","x-ray","0.71069","MoKα","","0.0822","0.0519","","","0.1551","0.1826","","","","","","0.639","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333717","28.698","0.002","24.479","0.002","22.742","0.0018","90","","133.955","0.003","90","","11501","1.6","100","2","100","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C96 H84 Cu4 F12 N14 P6 -","- C96 H84 Cu4 F12 N14 P6 -","- C384 H336 Cu16 F48 N56 P24 -","4","0.5","","Volodymyr Vreshch; Brigitte Nohra; Christophe Lescop; Régis Réau","Synthesis of Small Tetranuclear Cu(I) Metallacycles Based on Bridging Pseudohalogenide Ions","Inorganic Chemistry","2013","52","","1496","1503","10.1021/ic3022535","","x-ray","0.71069","MoKα","","0.0905","0.0775","","","0.2435","0.2536","","","","","","1.093","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333718","12.0352","0.0003","21.9674","0.0006","14.4403","0.0004","90","","102.788","0.001","90","","3723.06","0.17","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","CuClOTPP","Chloro-(5,10,15,20-tetraphenyl-21-oxaporphyrinato)copper(II)","","- C45 H29 Cl4 Cu N3 O -","- C45 H29 Cl4 Cu N3 O -","- C180 H116 Cl16 Cu4 N12 O4 -","4","1","","Silvio Stute; Linda Götzke; Dirk Meyer; Mohamed L. Merroun; Peter Rapta; Olga Kataeva; Wilhelm Seichter; Kerstin Gloe; Lothar Dunsch; Karsten Gloe","Molecular Structure, UV/Vis Spectra, and Cyclic Voltammograms of Mn(II), Co(II), and Zn(II) 5,10,15,20-Tetraphenyl-21-oxaporphyrins","Inorganic Chemistry","2013","52","","1515","1524","10.1021/ic302268h","","","0.71073","MoKα","","0.0971","0.0571","","","0.1355","0.1452","","","","","","1.005","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333719","9.9737","0.0003","15.8831","0.0005","20.9518","0.0005","90","","90.539","0.002","90","","3318.9","0.16","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ZnClOTPP","Chloro-(5,10,15,20-tetraphenyl-21-oxaporphyrinato)zinc(II)","","- C44 H28 Cl N3 O Zn -","- C44 H28 Cl N3 O Zn -","- C176 H112 Cl4 N12 O4 Zn4 -","4","1","","Silvio Stute; Linda Götzke; Dirk Meyer; Mohamed L. Merroun; Peter Rapta; Olga Kataeva; Wilhelm Seichter; Kerstin Gloe; Lothar Dunsch; Karsten Gloe","Molecular Structure, UV/Vis Spectra, and Cyclic Voltammograms of Mn(II), Co(II), and Zn(II) 5,10,15,20-Tetraphenyl-21-oxaporphyrins","Inorganic Chemistry","2013","52","","1515","1524","10.1021/ic302268h","","","0.71073","MoKα","","0.0772","0.045","","","0.0987","0.1139","","","","","","1.013","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333720","12.142","0.002","22.3","0.001","14.46","0.003","90","","102.65","0.01","90","","3820.2","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H29 Cl4 Mn N3 O -","- C45 H29 Cl4 Mn N3 O -","- C180 H116 Cl16 Mn4 N12 O4 -","4","1","","Silvio Stute; Linda Götzke; Dirk Meyer; Mohamed L. Merroun; Peter Rapta; Olga Kataeva; Wilhelm Seichter; Kerstin Gloe; Lothar Dunsch; Karsten Gloe","Molecular Structure, UV/Vis Spectra, and Cyclic Voltammograms of Mn(II), Co(II), and Zn(II) 5,10,15,20-Tetraphenyl-21-oxaporphyrins","Inorganic Chemistry","2013","52","","1515","1524","10.1021/ic302268h","","","0.71073","MoKα","","0.128","0.0873","","","0.2314","0.2638","","","","","","1.033","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333721","10.162","0.001","15.936","0.001","20.933","0.001","90","","90.61","0.01","90","","3389.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CoClOTPP","","- C44 H28 Cl Co N3 O -","- C44 H28 Cl Co N3 O -","- C176 H112 Cl4 Co4 N12 O4 -","4","1","","Silvio Stute; Linda Götzke; Dirk Meyer; Mohamed L. Merroun; Peter Rapta; Olga Kataeva; Wilhelm Seichter; Kerstin Gloe; Lothar Dunsch; Karsten Gloe","Molecular Structure, UV/Vis Spectra, and Cyclic Voltammograms of Mn(II), Co(II), and Zn(II) 5,10,15,20-Tetraphenyl-21-oxaporphyrins","Inorganic Chemistry","2013","52","","1515","1524","10.1021/ic302268h","","","0.71073","MoKα","","0.0653","0.0461","","","0.1152","0.1267","","","","","","1.065","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333722","7.5649","0.0008","15.708","0.003","34.689","0.005","90","","94.689","0.009","90","","4108.3","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H50 Fe4 Gd2 N32 O12 -","- C76 H44 Fe4 Gd2 N32 O12 -","- C152 H88 Fe8 Gd4 N64 O24 -","2","0.5","","Diana Visinescu; Luminita Marilena Toma; Oscar Fabelo; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","Low-Dimensional 3d-4f Complexes Assembled by Low-Spin [FeIII(phen)(CN)4]- Anions","Inorganic Chemistry","2013","52","","1525","1537","10.1021/ic302278q","","x-ray","0.71073","MoKα","","0.1332","0.0783","","","0.1372","0.155","","","","","","1.109","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333723","7.61","0.001","15.8","0.001","34.937","0.001","90","","95.178","0.01","90","","4183.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H60 Fe4 N32 O14 Tb2 -","- C76 H44 Fe4 N32 O14 Tb2 -","- C152 H88 Fe8 N64 O28 Tb4 -","2","0.5","","Diana Visinescu; Luminita Marilena Toma; Oscar Fabelo; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","Low-Dimensional 3d-4f Complexes Assembled by Low-Spin [FeIII(phen)(CN)4]- Anions","Inorganic Chemistry","2013","52","","1525","1537","10.1021/ic302278q","","x-ray","0.71073","MoKα","","0.1069","0.0879","","","0.2263","0.2441","","","","","","1.286","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333724","7.636","0.0002","15.849","0.0003","34.982","0.0009","90","","94.991","0.001","90","","4217.57","0.17","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H54 Fe4 N32 O11 Sm2 -","- C76 H44 Fe4 N32 O10.93 Sm2 -","- C152 H88 Fe8 N64 O21.86 Sm4 -","2","0.5","","Diana Visinescu; Luminita Marilena Toma; Oscar Fabelo; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","Low-Dimensional 3d-4f Complexes Assembled by Low-Spin [FeIII(phen)(CN)4]- Anions","Inorganic Chemistry","2013","52","","1525","1537","10.1021/ic302278q","","x-ray","0.71073","MoKα","","0.1154","0.0993","","","0.2698","0.2853","","","","","","1.426","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333725","9.627","0.0009","26.323","0.002","10.726","0.0009","90","0.006","113.844","0.006","90","0.007","2486.1","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 Fe2 N20 O14 Pr2 -","- C40 H22 Fe2 N20 O14 Pr2 -","- C80 H44 Fe4 N40 O28 Pr4 -","2","0.5","","Diana Visinescu; Luminita Marilena Toma; Oscar Fabelo; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","Low-Dimensional 3d-4f Complexes Assembled by Low-Spin [FeIII(phen)(CN)4]- Anions","Inorganic Chemistry","2013","52","","1525","1537","10.1021/ic302278q","","x-ray","0.71073","MoKα","","0.0674","0.0458","","","0.0684","0.073","","","","","","1.151","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333726","5.2013","0.0001","5.2013","0.0001","22.4066","0.0003","90","","90","","120","","524.965","0.016","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","potassiun manganese vanadate carbonate","Dipotassium trimanganese bivanadate carbonate","","- C K2 Mn3 O11 V2 -","- C K2 Mn3 O11 V2 -","- C2 K4 Mn6 O22 V4 -","2","0.166667","","Olga V. Yakubovich; Ekaterina V. Yakovleva; Alexey N. Golovanov; Anatoly S. Volkov; Olga S. Volkova; Elena A. Zvereva; Olga V. Dimitrova; Alexander N. Vasiliev","The First Vanadate-Carbonate, K2Mn3(VO4)2(CO3): Crystal Structure and Physical Properties","Inorganic Chemistry","2013","52","","1538","1543","10.1021/ic302333e","","","0.71073","MoKα","","0.0226","0.0222","","","0.0562","0.0563","","","","","","1.568","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333727","9.256","0.001","10.202","0.001","13.9106","0.001","93.48","0.01","92.283","0.01","115.677","0.01","1178.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 F5 N4 Si -","- C22 H29 F5 N4 Si -","- C44 H58 F10 N8 Si2 -","2","1","","Prinson P. Samuel; Amit Pratap Singh; Sankaranarayana Pillai Sarish; Julia Matussek; Ina Objartel; Herbert W. Roesky; Dietmar Stalke","Oxidative Addition Versus Substitution Reactions of Group 14 Dialkylamino Metalylenes with Pentafluoropyridine","Inorganic Chemistry","2013","52","","1544","1549","10.1021/ic302344a","","","0.71073","MoKα","","0.0433","0.0358","","","0.0872","0.0909","","","","","","1.008","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333728","15.122","0.002","19.248","0.002","19.887","0.003","90","","112.05","0.02","90","","5365.1","1.4","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 F5 Ge N4 -","- C26 H37 F5 Ge N4 -","- C208 H296 F40 Ge8 N32 -","8","2","","Prinson P. Samuel; Amit Pratap Singh; Sankaranarayana Pillai Sarish; Julia Matussek; Ina Objartel; Herbert W. Roesky; Dietmar Stalke","Oxidative Addition Versus Substitution Reactions of Group 14 Dialkylamino Metalylenes with Pentafluoropyridine","Inorganic Chemistry","2013","52","","1544","1549","10.1021/ic302344a","","","0.71073","MoKα","","0.0298","0.0246","","","0.0577","0.0595","","","","","","1.035","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333729","10.149","0.003","9.614","0.002","16.921","0.002","90","","99.62","0.02","90","","1627.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 F2 N4 Sn2 -","- C30 H46 F2 N4 Sn2 -","- C60 H92 F4 N8 Sn4 -","2","0.5","","Prinson P. Samuel; Amit Pratap Singh; Sankaranarayana Pillai Sarish; Julia Matussek; Ina Objartel; Herbert W. Roesky; Dietmar Stalke","Oxidative Addition Versus Substitution Reactions of Group 14 Dialkylamino Metalylenes with Pentafluoropyridine","Inorganic Chemistry","2013","52","","1544","1549","10.1021/ic302344a","","","0.71073","MoKα","","0.0205","0.018","","","0.0409","0.0422","","","","","","1.087","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333730","21.8239","0.0012","18.8675","0.001","25.0854","0.0014","90","","90","","90","","10329.2","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","(disilox)4CrNa(thf)","","","- C40 H92 Cr Na O5 Si4 -","- C40 H92 Cr Na O5 Si4 -","- C320 H736 Cr8 Na8 O40 Si32 -","8","1","","Michael P. Marshak; Daniel G. Nocera","Chromium(IV) Siloxide","Inorganic Chemistry","2013","52","","1173","1175","10.1021/ic3023612","","","0.71073","MoKα","","0.0694","0.0433","","","0.1042","0.1217","","","","","","1.052","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333731","22.888","0.002","10.9647","0.0009","20.834","0.003","90","","118.942","0.001","90","","4575.5","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(disilox)4Cr","","","- C36 H84 Cr O4 Si4 -","- C36 H84 Cr O4 Si4 -","- C144 H336 Cr4 O16 Si16 -","4","0.5","","Michael P. Marshak; Daniel G. Nocera","Chromium(IV) Siloxide","Inorganic Chemistry","2013","52","","1173","1175","10.1021/ic3023612","","","0.71073","MoKα","","0.0432","0.0321","","","0.0799","0.0877","","","","","","1.074","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333732","9.6965","0.0014","9.935","0.0014","13.7073","0.0016","101.168","0.003","92.163","0.003","91.148","0.003","1294.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Cl2 Fe N5 -","- C27 H24 Cl2 Fe N5 -","- C54 H48 Cl4 Fe2 N10 -","2","1","","Tünde Váradi; József S. Pap; Michel Giorgi; László Párkányi; Tamás Csay; Gábor Speier; József Kaizer","Iron(III) Complexes with Meridional Ligands as Functional Models of Intradiol-Cleaving Catechol Dioxygenases","Inorganic Chemistry","2013","52","","1559","1569","10.1021/ic302378r","","","0.71075","MoKα","","0.0621","0.0506","","","0.1407","0.1468","","","","","","1.052","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333733","7.4218","0.0002","8.266","0.0002","16.1637","0.0006","75.587","0.001","88.931","0.001","63.158","0.001","851.88","0.05","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C14 H8 Cl2 Fe N5 S2 -","- C14 H8 Cl2 Fe N5 S2 -","- C28 H16 Cl4 Fe2 N10 S4 -","2","1","","Tünde Váradi; József S. Pap; Michel Giorgi; László Párkányi; Tamás Csay; Gábor Speier; József Kaizer","Iron(III) Complexes with Meridional Ligands as Functional Models of Intradiol-Cleaving Catechol Dioxygenases","Inorganic Chemistry","2013","52","","1559","1569","10.1021/ic302378r","","x-ray","0.71073","MoKα","","0.0576","0.0405","","","0.1095","0.1274","","","","","","1.122","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333734","13.5678","0.0003","15.6628","0.0003","18.633","0.0003","105.195","0.001","92.884","0.001","113.185","0.001","3459.66","0.12","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C94.4 H159.8 Fe10 N10.2 O41.6 -","- C94.4 H126 Fe10 N10.2 O41.6 -","- C94.4 H126 Fe10 N10.2 O41.6 -","1","0.5","","Evangelia S. Koumousi; Anastasia Routzomani; Tu N. Nguyen; Dimosthenis P. Giannopoulos; Catherine P. Raptopoulou; Vassilis Psycharis; George Christou; Theocharis C. Stamatatos","2-Pyrrolyloximes in High-Nuclearity Transition-Metal Cluster Chemistry: Fe10 and Fe12","Inorganic Chemistry","2013","52","","1176","1178","10.1021/ic3023908","","","1.54178","CuKα","","0.1326","0.0934","","","0.2449","0.2966","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333735","15.4735","0.0002","16.0289","0.0002","16.9333","0.0003","116.87","0.001","105.874","0.001","98.732","0.001","3412.82","0.1","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H146.4 Cl2 Fe12 N13 O40.7 -","- C92 H122 Cl2 Fe12 N13 O40.7 -","- C92 H122 Cl2 Fe12 N13 O40.7 -","1","0.5","","Evangelia S. Koumousi; Anastasia Routzomani; Tu N. Nguyen; Dimosthenis P. Giannopoulos; Catherine P. Raptopoulou; Vassilis Psycharis; George Christou; Theocharis C. Stamatatos","2-Pyrrolyloximes in High-Nuclearity Transition-Metal Cluster Chemistry: Fe10 and Fe12","Inorganic Chemistry","2013","52","","1176","1178","10.1021/ic3023908","","","1.54178","CuKα","","0.0774","0.0582","","","0.1517","0.1695","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333736","13.693","0.011","18.134","0.015","26.76","0.02","90","","90","","90","","6645","9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","LHL20106","","","- C24 H58 Cl2 N2 P4 Ru -","- C24 H58 Cl2 N2 P4 Ru -","- C192 H464 Cl16 N16 P32 Ru8 -","8","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Base-Induced Dehydrogenation of Ruthenium Hydrazine Complexes","Inorganic Chemistry","2013","52","","1570","1583","10.1021/ic302449n","","","0.71073","MoKα","","0.0359","0.0258","","","0.0563","0.0608","","","","","","1.047","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333737","13.659","0.001","18.7193","0.0014","26.3192","0.0018","90","","91.681","0.003","90","","6726.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LHL2919","","","- C25 H60 Cl2 N2 P4 Ru -","- C25 H60 Cl2 N2 P4 Ru -","- C200 H480 Cl16 N16 P32 Ru8 -","8","2","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Base-Induced Dehydrogenation of Ruthenium Hydrazine Complexes","Inorganic Chemistry","2013","52","","1570","1583","10.1021/ic302449n","","","0.71073","MoKα","","0.0883","0.0602","","","0.1144","0.1226","","","","","","1.199","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333738","14.411","0.016","29.81","0.04","9.912","0.011","90","","100.35","0.03","90","","4189","9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","LHL2045","","","- C42 H46 Cl2 N4 P4 Ru -","- C42 H46 Cl2 N4 P4 Ru -","- C168 H184 Cl8 N16 P16 Ru4 -","4","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Base-Induced Dehydrogenation of Ruthenium Hydrazine Complexes","Inorganic Chemistry","2013","52","","1570","1583","10.1021/ic302449n","","","0.71073","MoKα","","0.1091","0.0504","","","0.0867","0.1037","","","","","","0.984","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333739","12.117","0.011","27.59","0.03","34.12","0.03","90","","100.23","0.02","90","","11225","19","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","LHL2788","","","- C114 H124 Cl4 N10 P8 Ru2 -","- C114 H115 Cl4 N10 P8 Ru2 -","- C456 H460 Cl16 N40 P32 Ru8 -","4","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Base-Induced Dehydrogenation of Ruthenium Hydrazine Complexes","Inorganic Chemistry","2013","52","","1570","1583","10.1021/ic302449n","","","0.71073","MoKα","","0.0354","0.0325","","","0.0779","0.0789","","","","","","1.041","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333740","17.3284","0.0009","26.815","0.0012","36.139","0.003","90","","90","","90","","16792.4","1.8","100","2","100","2","","","","","","","","7","I b c a","-I 2b 2c","73","LHL2783","","","- C90 H104 Cl4 N4 O P8 Ru2 -","- C90 H104 Cl4 N4 O P8 Ru2 -","- C720 H832 Cl32 N32 O8 P64 Ru16 -","8","0.5","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Base-Induced Dehydrogenation of Ruthenium Hydrazine Complexes","Inorganic Chemistry","2013","52","","1570","1583","10.1021/ic302449n","","","0.71073","MoKα","","0.0316","0.0247","","","0.0588","0.0634","","","","","","1.045","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333741","10.7083","0.0004","19.7253","0.0008","14.3069","0.0006","90","","107.717","0.001","90","","2878.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","LHL22111","","","- C24 H56 P4 Ru -","- C24 H56 P4 Ru -","- C96 H224 P16 Ru4 -","4","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Base-Induced Dehydrogenation of Ruthenium Hydrazine Complexes","Inorganic Chemistry","2013","52","","1570","1583","10.1021/ic302449n","","","0.71073","MoKα","","0.0229","0.0187","","","0.0447","0.0466","","","","","","1.046","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333742","12.2635","0.0005","13.1418","0.0005","14.6359","0.0005","78.706","0.001","71.307","0.001","64.706","0.001","2015.36","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","LHL28_5","","","- C37 H68 N2 P4 Ru -","- C37 H68 N2 P4 Ru -","- C74 H136 N4 P8 Ru2 -","2","1","","Leslie D. Field; Hsiu L. Li; Scott J. Dalgarno; Ruaraidh D. McIntosh","Base-Induced Dehydrogenation of Ruthenium Hydrazine Complexes","Inorganic Chemistry","2013","52","","1570","1583","10.1021/ic302449n","","","0.71073","MoKα","","0.0331","0.0259","","","0.0535","0.0563","","","","","","1.023","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333743","15.5624","0.0016","18.472","0.002","24.6683","0.0017","90","","116.961","0.004","90","","6320.6","1.1","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H62 Cl4 Cu F6 N2 O Sb -","- C71 H62 Cl4 Cu F6 N2 O Sb -","- C284 H248 Cl16 Cu4 F24 N8 O4 Sb4 -","4","1","","Chandrakanta Dash; Animesh Das; Muhammed Yousufuddin; H. V. Rasika Dias","Isolable, Copper(I) Dicarbonyl Complexes Supported by N-Heterocyclic Carbenes","Inorganic Chemistry","2013","52","","1584","1590","10.1021/ic302455y","","","0.71073","MoKα","","0.0545","0.0439","","","0.1149","0.1232","","","","","","1.056","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333744","12.0411","0.0008","15.0609","0.001","18.7044","0.0011","90","","109.714","0.003","90","","3193.2","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 Cu F6 N2 O2 Sb -","- C29 H38 Cu F6 N2 O2 Sb -","- C116 H152 Cu4 F24 N8 O8 Sb4 -","4","1","","Chandrakanta Dash; Animesh Das; Muhammed Yousufuddin; H. V. Rasika Dias","Isolable, Copper(I) Dicarbonyl Complexes Supported by N-Heterocyclic Carbenes","Inorganic Chemistry","2013","52","","1584","1590","10.1021/ic302455y","","","0.71073","MoKα","","0.0375","0.032","","","0.0788","0.0817","","","","","","1.069","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333745","15.9597","0.0014","17.2197","0.0015","23.051","0.002","90","","106.446","0.001","90","","6075.7","0.9","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H58 Cl2 Cu F6 N2 O2 Sb -","- C72 H58 Cl2 Cu F6 N2 O2 Sb -","- C288 H232 Cl8 Cu4 F24 N8 O8 Sb4 -","4","1","","Chandrakanta Dash; Animesh Das; Muhammed Yousufuddin; H. V. Rasika Dias","Isolable, Copper(I) Dicarbonyl Complexes Supported by N-Heterocyclic Carbenes","Inorganic Chemistry","2013","52","","1584","1590","10.1021/ic302455y","","","0.71073","MoKα","","0.1273","0.0641","","","0.1518","0.1807","","","","","","1.024","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333746","9.7528","0.0005","11.2597","0.0007","11.5526","0.0007","74.059","0.003","73.138","0.003","77.07","0.002","1153","0.12","145","2","145.15","","","","","","","","","5","P -1","-P 1","2","cis-CpCr(CO)2(PCy3)H","","","- C25 H39 Cr O2 P -","- C25 H39 Cr O2 P -","- C50 H78 Cr2 O4 P2 -","2","1","","Edwin F. van der Eide; Monte L. Helm; Eric D. Walter; R. Morris Bullock","Structural and Spectroscopic Characterization of 17- and 18-Electron Piano-Stool Complexes of Chromium. Thermochemical Analyses of Weak Cr-H Bonds","Inorganic Chemistry","2013","52","","1591","1603","10.1021/ic302460y","","","0.71073","MoKα","","0.0458","0.0387","","","0.1202","0.1253","","","","","","1.088","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333747","11.485","0.0005","14.6464","0.0007","15.372","0.0007","70.022","0.002","87.357","0.002","87.104","0.002","2425.93","0.19","100.15","","100.15","","","","","","","","","5","P -1","-P 1","2","CpCr(CO)2(IMe)","","","- C12 H13 Cr N2 O2 -","- C12 H13 Cr N2 O2 -","- C96 H104 Cr8 N16 O16 -","8","4","","Edwin F. van der Eide; Monte L. Helm; Eric D. Walter; R. Morris Bullock","Structural and Spectroscopic Characterization of 17- and 18-Electron Piano-Stool Complexes of Chromium. Thermochemical Analyses of Weak Cr-H Bonds","Inorganic Chemistry","2013","52","","1591","1603","10.1021/ic302460y","","","0.71073","MoKα","","0.096","0.0869","","","0.2384","0.2426","","","","","","1.172","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333748","7.5173","0.0002","25.0725","0.0006","17.4342","0.0004","90","","98.219","0.002","90","","3252.2","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","K[CpCr(CO)2(IMe)]","","","- C60 H76 Cr4 K4 N8 O11 -","- C60 H76 Cr4 K4 N8 O11 -","- C120 H152 Cr8 K8 N16 O22 -","2","1","","Edwin F. van der Eide; Monte L. Helm; Eric D. Walter; R. Morris Bullock","Structural and Spectroscopic Characterization of 17- and 18-Electron Piano-Stool Complexes of Chromium. Thermochemical Analyses of Weak Cr-H Bonds","Inorganic Chemistry","2013","52","","1591","1603","10.1021/ic302460y","","","0.71073","MoKα","","0.0485","0.0389","","","0.091","0.0949","","","","","","1.023","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333749","16.4326","0.0005","22.3721","0.0006","16.2384","0.0005","90","","90","","90","","5969.8","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","K+(18-crown-6)[CpCr(CO)2(IMe)]","","","- C52 H82 Cr2 K2 N4 O17 -","- C52 H82 Cr2 K2 N4 O17 -","- C208 H328 Cr8 K8 N16 O68 -","4","1","","Edwin F. van der Eide; Monte L. Helm; Eric D. Walter; R. Morris Bullock","Structural and Spectroscopic Characterization of 17- and 18-Electron Piano-Stool Complexes of Chromium. Thermochemical Analyses of Weak Cr-H Bonds","Inorganic Chemistry","2013","52","","1591","1603","10.1021/ic302460y","","","0.71073","MoKα","","0.0476","0.034","","","0.0741","0.0791","","","","","","1.021","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333750","14.5523","0.0006","10.0674","0.0005","15.7122","0.0006","90","","94.732","0.003","90","","2294.05","0.17","145","","145.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CpCr(CO)2(PCy3)","","","- C25 H38 Cr O2 P -","- C25 H38 Cr O2 P -","- C100 H152 Cr4 O8 P4 -","4","1","","Edwin F. van der Eide; Monte L. Helm; Eric D. Walter; R. Morris Bullock","Structural and Spectroscopic Characterization of 17- and 18-Electron Piano-Stool Complexes of Chromium. Thermochemical Analyses of Weak Cr-H Bonds","Inorganic Chemistry","2013","52","","1591","1603","10.1021/ic302460y","","","0.71073","MoKα","","0.0731","0.046","","","0.1081","0.1213","","","","","","1.021","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333751","21.8064","0.0011","23.8797","0.0013","26.3457","0.0014","90","","90","","90","","13719","1.3","150","2","150","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C130 H130 Dy5 Mn4 N23 O38 -","- C104 H72 Dy5 Mn4 N12 O38 -","- C416 H288 Dy20 Mn16 N48 O152 -","4","0.5","","Dimitris I. Alexandropoulos; Tu N. Nguyen; Luís Cunha-Silva; Theodoros F. Zafiropoulos; Albert Escuer; George Christou; Theocharis C. Stamatatos","Slow Magnetization Relaxation in Unprecedented MnIII4DyIII3 and MnIII4DyIII5 Clusters from the Use of N-Salicylidene-o-aminophenol","Inorganic Chemistry","2013","52","","1179","1181","10.1021/ic302505p","","","0.71073","MoKα","","0.0611","0.0364","","","0.0848","0.091","","","","","","0.943","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333752","29.146","0.005","21.095","0.003","32.414","0.005","90","","102.628","0.008","90","","19447","5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C101 H82 Dy3 Mn4 N15 O27 -","- C91 H63 Dy3 Mn4 N10 O27 -","- C728 H504 Dy24 Mn32 N80 O216 -","8","2","","Dimitris I. Alexandropoulos; Tu N. Nguyen; Luís Cunha-Silva; Theodoros F. Zafiropoulos; Albert Escuer; George Christou; Theocharis C. Stamatatos","Slow Magnetization Relaxation in Unprecedented MnIII4DyIII3 and MnIII4DyIII5 Clusters from the Use of N-Salicylidene-o-aminophenol","Inorganic Chemistry","2013","52","","1179","1181","10.1021/ic302505p","","","0.71073","MoKα","","0.0776","0.0518","","","0.1381","0.1497","","","","","","1.068","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333753","7.4978","0.0001","7.4978","0.0001","7.4978","0.0001","90","","90","","90","","421.504","0.01","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca O12 Pd3 Ti4 -","- Ca O12 Pd3 Ti4 -","- Ca2 O24 Pd6 Ti8 -","2","0.0416667","","Kentaro Shiro; Ikuya Yamada; Naoya Ikeda; Kenya Ohgushi; Masaichiro Mizumaki; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune","Pd2±Incorporated Perovskite CaPd3B4O12 (B= Ti, V)","Inorganic Chemistry","2013","52","","1604","1609","10.1021/ic3025155","powder diffraction","","0.51764","","","0.01761","","","","","","0.03137","0.03432","1.3015","","","","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333754","7.40317","0.00008","7.40317","0.00008","7.40317","0.00008","90","","90","","90","","405.745","0.008","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ca O12 Pd3 V4 -","- Ca O12 Pd3 V4 -","- Ca2 O24 Pd6 V8 -","2","0.0416667","","Kentaro Shiro; Ikuya Yamada; Naoya Ikeda; Kenya Ohgushi; Masaichiro Mizumaki; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune","Pd2±Incorporated Perovskite CaPd3B4O12 (B= Ti, V)","Inorganic Chemistry","2013","52","","1604","1609","10.1021/ic3025155","powder diffraction","","0.51764","","","0.00748","","","","","","0.00815","0.02046","1.6305","","","","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333755","12.2911","0.0006","18.8157","0.001","20.087","0.001","75.644","0.0022","82.1162","0.002","71.7422","0.0019","4264.9","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H31 Cl3 Dy2 F36 N4 O16 S8 -","- C61 H31 Cl3 Dy2 F36 N4 O16 S8 -","- C122 H62 Cl6 Dy4 F72 N8 O32 S16 -","2","1","","Fabrice Pointillart; Boris Le Guennic; Stéphane Golhen; Olivier Cador; Olivier Maury; Lahcène Ouahab","High Nuclearity Complexes of Lanthanide Involving Tetrathiafulvalene Ligands: Structural, Magnetic, and PhotoPhysical Properties","Inorganic Chemistry","2013","52","","1610","1620","10.1021/ic302532f","","","0.71073","MoKα","","0.0577","0.04","","","0.1086","0.1319","","","","","","1.061","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333756","18.1845","0.0007","25.8088","0.0008","19.7696","0.0008","90","","108.026","0.0019","90","","8822.9","0.6","150","2","150","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C62 H32 Cl6 Er2 F36 N4 O16 S8 -","- C62 H32 Cl6 Er2 F36 N4 O16 S8 -","- C248 H128 Cl24 Er8 F144 N16 O64 S32 -","4","1","","Fabrice Pointillart; Boris Le Guennic; Stéphane Golhen; Olivier Cador; Olivier Maury; Lahcène Ouahab","High Nuclearity Complexes of Lanthanide Involving Tetrathiafulvalene Ligands: Structural, Magnetic, and PhotoPhysical Properties","Inorganic Chemistry","2013","52","","1610","1620","10.1021/ic302532f","","","0.71073","MoKα","","0.1005","0.0553","","","0.1395","0.1761","","","","","","1.053","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333757","12.6633","0.0005","33.5547","0.0014","21.377","0.001","90","","93.397","0.002","90","","9067.4","0.7","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H31 Cl3 F36 N4 O16 S8 Yb2 -","- C60.5 H30.5 Cl1.5 F36 N4 O16 S8 Yb2 -","- C242 H122 Cl6 F144 N16 O64 S32 Yb8 -","4","1","","Fabrice Pointillart; Boris Le Guennic; Stéphane Golhen; Olivier Cador; Olivier Maury; Lahcène Ouahab","High Nuclearity Complexes of Lanthanide Involving Tetrathiafulvalene Ligands: Structural, Magnetic, and PhotoPhysical Properties","Inorganic Chemistry","2013","52","","1610","1620","10.1021/ic302532f","","","0.71073","MoKα","","0.1519","0.0872","","","0.2008","0.241","","","","","","1.117","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333758","19.1532","0.0003","22.5108","0.0003","24.7437","0.0003","94.3354","0.0008","97.1996","0.0007","108.905","0.0007","9936.2","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C124.25 H68.25 Cl3.75 F72 N8 O32 S16 Yb4 -","- C124.25 H75.25 Cl3.75 F72 N8 O32 S16 Yb4 -","- C248.5 H150.5 Cl7.5 F144 N16 O64 S32 Yb8 -","2","1","","Fabrice Pointillart; Boris Le Guennic; Stéphane Golhen; Olivier Cador; Olivier Maury; Lahcène Ouahab","High Nuclearity Complexes of Lanthanide Involving Tetrathiafulvalene Ligands: Structural, Magnetic, and PhotoPhysical Properties","Inorganic Chemistry","2013","52","","1610","1620","10.1021/ic302532f","","","0.71073","MoKα","","0.0963","0.0615","","","0.1717","0.2104","","","","","","1.084","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333759","12.035","0.003","25.181","0.006","15.913","0.004","90","","109.513","0.005","90","","4545.5","1.9","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H80 B2 N18 O2 P4 Ru2 -","- C84 H76 B2 N18 P4 Ru2 -","- C168 H152 B4 N36 P8 Ru4 -","2","0.5","","Carmen Harb; Pavel Kravtsov; Mohommad Choudhuri; Eric R. Sirianni; Glenn P. A. Yap; A. B. P. Lever; Robert J. Crutchley","Phenylcyanamidoruthenium Scorpionate Complexes","Inorganic Chemistry","2013","52","","1621","1630","10.1021/ic302535h","","","0.71073","MoKα","","0.128","0.0685","","","0.1211","0.1393","","","","","","1.023","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333760","20.198","0.004","25.05","0.005","16.714","0.004","90","","90","","90","","8457","3","200","2","200","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C42 H34 B Cl5 N8 P2 Ru -","- C42 H34 B Cl5 N8 P2 Ru -","- C336 H272 B8 Cl40 N64 P16 Ru8 -","8","1","","Carmen Harb; Pavel Kravtsov; Mohommad Choudhuri; Eric R. Sirianni; Glenn P. A. Yap; A. B. P. Lever; Robert J. Crutchley","Phenylcyanamidoruthenium Scorpionate Complexes","Inorganic Chemistry","2013","52","","1621","1630","10.1021/ic302535h","","","0.71073","MoKα","","0.1428","0.0573","","","0.0914","0.1159","","","","","","1.001","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333761","14.256","0.003","13.064","0.003","24.449","0.005","90","","95.777","0.004","90","","4530.3","1.7","200","2","200","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C40 H52 Fe K N4 O9 -","- C36 H44 Fe K N4 O8 -","- C144 H176 Fe4 K4 N16 O32 -","4","1","","Chih-Chin Tsou; Fu-Te Tsai; Huang-Yeh Chen; I-Jui Hsu; Wen-Feng Liaw","Insight into One-Electron Oxidation of the {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC): Aminyl Radical Stabilized by [Fe(NO)2] Motif","Inorganic Chemistry","2013","52","","1631","1639","10.1021/ic302537d","","","0.71073","MoKα","","0.1161","0.0619","","","0.154","0.1722","","","","","","0.966","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333762","23.2705","0.0008","15.7542","0.0006","24.0988","0.0009","90","","111.731","0.002","90","","8206.9","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H60 Fe K N4 O8 Si4 -","- C24 H60 Fe K N4 O8 Si4 -","- C192 H480 Fe8 K8 N32 O64 Si32 -","8","2","","Chih-Chin Tsou; Fu-Te Tsai; Huang-Yeh Chen; I-Jui Hsu; Wen-Feng Liaw","Insight into One-Electron Oxidation of the {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC): Aminyl Radical Stabilized by [Fe(NO)2] Motif","Inorganic Chemistry","2013","52","","1631","1639","10.1021/ic302537d","","","0.71073","MoKα","","0.1374","0.077","","","0.2042","0.2275","","","","","","1.099","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333763","15.8975","0.0009","22.4576","0.0012","30.9214","0.0017","90","","90","","90","","11039.5","1.1","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C44 H80 Fe K N4 O10 Si2 -","- C44 H80 Fe K N4 O10 Si2 -","- C352 H640 Fe8 K8 N32 O80 Si16 -","8","1","","Chih-Chin Tsou; Fu-Te Tsai; Huang-Yeh Chen; I-Jui Hsu; Wen-Feng Liaw","Insight into One-Electron Oxidation of the {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC): Aminyl Radical Stabilized by [Fe(NO)2] Motif","Inorganic Chemistry","2013","52","","1631","1639","10.1021/ic302537d","","","0.71073","MoKα","","0.086","0.0505","","","0.1194","0.1386","","","","","","1.014","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333764","13.1256","0.001","11.3614","0.0009","19.5259","0.0014","90","","90","","90","","2911.8","0.4","200","2","200","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H40 Fe N4 O2 Si2 -","- C24 H40 Fe N4 O2 Si2 -","- C96 H160 Fe4 N16 O8 Si8 -","4","0.5","","Chih-Chin Tsou; Fu-Te Tsai; Huang-Yeh Chen; I-Jui Hsu; Wen-Feng Liaw","Insight into One-Electron Oxidation of the {Fe(NO)2}9 Dinitrosyl Iron Complex (DNIC): Aminyl Radical Stabilized by [Fe(NO)2] Motif","Inorganic Chemistry","2013","52","","1631","1639","10.1021/ic302537d","","","0.71073","MoKα","","0.0603","0.0435","","","0.1146","0.1268","","","","","","1.023","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333765","7.426","0.005","21.307","0.014","9.324","0.006","90","","90.127","0.007","90","","1475.3","1.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Mn N12 -","- C12 H8 Mn N12 -","- C48 H32 Mn4 N48 -","4","1","","Paramita Kar; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh","Coordination Polymers Containing Manganese(II)-Azido Layers Connected by Dipyridyl-tetrazine and 4,4'-Azobis(pyridine) Linkers","Inorganic Chemistry","2013","52","","1640","1649","10.1021/ic302548z","","","0.71073","MoKα","","0.0713","0.0567","","","0.1519","0.1581","","","","","","1.13","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333766","9.933","0.004","9.1087","0.0016","14.479","0.004","90","","91.352","0.007","90","","1309.6","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Mn N10 -","- C10 H8 Mn N10 -","- C40 H32 Mn4 N40 -","4","1","","Paramita Kar; Michael G. B. Drew; Carlos J. Gómez-García; Ashutosh Ghosh","Coordination Polymers Containing Manganese(II)-Azido Layers Connected by Dipyridyl-tetrazine and 4,4'-Azobis(pyridine) Linkers","Inorganic Chemistry","2013","52","","1640","1649","10.1021/ic302548z","","","0.71073","MoKα","","0.1689","0.1102","","","0.255","0.2943","","","","","","0.903","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333767","5.0358","0.0003","13.2672","0.001","20.3669","0.001","87.617","0.005","85.132","0.004","79.557","0.005","1332.89","0.15","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H18 Cu F3 N4 S5 -","- C24 H18 Cu F3 N4 S5 -","- C48 H36 Cu2 F6 N8 S10 -","2","1","","Mohammad Akbar Ali; Paul V. Bernhardt; Mathilde A. H. Brax; Jason England; Anthony J. Farlow; Graeme R. Hanson; Lee Len Yeng; Aminul Huq Mirza; Karl Wieghardt","The Trivalent Copper Complex of a Conjugated Bis-dithiocarbazate Schiff Base: Stabilization of Cu in Three Different Oxidation States","Inorganic Chemistry","2013","52","","1650","1657","10.1021/ic302596h","","x-ray","0.71073","MoKα","","0.0724","0.0377","","","0.0562","0.0601","","","","","","0.808","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333768","17.827","0.007","15.169","0.005","19.169","0.007","90","","112.446","0.004","90","","4791","3","283","2","283","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 B2 F8 Fe N10 O6 -","- C46 H42 B2 F8 Fe N10 O6 -","- C184 H168 B8 F32 Fe4 N40 O24 -","4","0.5","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0817","","","","0.2609","","","","","","1.121","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4333769","6.9727","0.0016","18.497","0.004","24.123","0.006","90","","90","","90","","3111.2","1.2","113","2","113","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N5 -","- C19 H15 N5 -","- C152 H120 N40 -","8","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.7107","MoKα","","","0.072","","","","0.1878","","","","","","1.204","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333770","5.6423","0.0014","21.973","0.006","12.711","0.003","90","","101.709","0.003","90","","1543.1","0.7","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N5 -","- C19 H15 N5 -","- C76 H60 N20 -","4","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0406","","","","0.095","","","","","","0.993","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333771","14.717","0.004","16.623","0.005","17.124","0.005","90","","100.358","0.005","90","","4121","2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 B2 F8 Fe N10 O -","- C41 H36 B2 F8 Fe N10 O -","- C164 H144 B8 F32 Fe4 N40 O4 -","4","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0379","","","","0.0918","","","","","","0.961","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333772","15.176","0.007","16.564","0.008","16.623","0.009","90","","95.339","0.008","90","","4160","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 B2 F8 Fe N10 O -","- C41 H36 B2 F8 Fe N10 O -","- C164 H144 B8 F32 Fe4 N40 O4 -","4","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0866","","","","0.2076","","","","","","1.158","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333773","15.203","0.012","16.519","0.012","16.602","0.013","90","","95.373","0.003","90","","4151","6","175","2","175","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 B2 F8 Fe N10 O -","- C41 H36 B2 F8 Fe N10 O -","- C164 H144 B8 F32 Fe4 N40 O4 -","4","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0922","","","","0.2144","","","","","","1.079","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333774","14.882","0.003","16.628","0.003","17.116","0.003","90","","100.087","0.002","90","","4170","1.3","190","2","190","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 B2 F8 Fe N10 O -","- C41 H36 B2 F8 Fe N10 O -","- C164 H144 B8 F32 Fe4 N40 O4 -","4","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0621","","","","0.1398","","","","","","1.154","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333775","15.055","0.003","16.639","0.004","17.128","0.004","90","","99.7889","0.001","90","","4228.1","1.6","240","2","240","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 B2 F8 Fe N10 O -","- C41 H36 B2 F8 Fe N10 O -","- C164 H144 B8 F32 Fe4 N40 O4 -","4","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0764","","","","0.1873","","","","","","1.164","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333776","10.506","0.003","13.51","0.004","18.116","0.005","94.664","0.003","102.916","0.003","103.734","0.004","2410","1.2","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 B2 F8 Fe N14 O8 -","- C42 H42 B2 F8 Fe N14 O8 -","- C84 H84 B4 F16 Fe2 N28 O16 -","2","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0504","","","","0.1311","","","","","","1.08","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333777","10.492","0.0012","13.4962","0.0015","18.1159","0.0016","94.782","0.003","102.82","0.003","103.616","0.005","2406","0.4","115","2","115","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 B2 F8 Fe N14 O8 -","- C42 H42 B2 F8 Fe N14 O8 -","- C84 H84 B4 F16 Fe2 N28 O16 -","2","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.062","","","","0.1427","","","","","","1.082","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333778","10.545","0.003","13.52","0.004","18.122","0.005","94.35","0.002","103.112","0.002","103.876","0.004","2419.5","1.2","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 B2 F8 Fe N14 O8 -","- C42 H42 B2 F8 Fe N14 O8 -","- C84 H84 B4 F16 Fe2 N28 O16 -","2","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0661","","","","0.1535","","","","","","1.086","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333779","10.5952","0.0013","13.5408","0.0019","18.1381","0.0017","93.854","0.004","103.285","0.003","104.234","0.006","2433.6","0.5","165","2","165","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 B2 F8 Fe N14 O8 -","- C42 H42 B2 F8 Fe N14 O8 -","- C84 H84 B4 F16 Fe2 N28 O16 -","2","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0625","","","","0.1592","","","","","","1.092","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333780","10.6263","0.0012","13.5773","0.0016","18.2138","0.0015","93.682","0.003","103.379","0.003","104.327","0.005","2456.3","0.5","192","2","192","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 B2 F8 Fe N14 O8 -","- C42 H42 B2 F8 Fe N14 O8 -","- C84 H84 B4 F16 Fe2 N28 O16 -","2","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0621","","","","0.1701","","","","","","1.064","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333781","10.6068","0.0012","13.6322","0.0017","18.3441","0.0015","93.713","0.003","103.248","0.003","104.413","0.006","2479.6","0.5","217","2","217","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 B2 F8 Fe N14 O8 -","- C42 H42 B2 F8 Fe N14 O8 -","- C84 H84 B4 F16 Fe2 N28 O16 -","2","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0696","","","","0.2101","","","","","","1.055","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333782","10.609","0.0013","13.7073","0.0018","18.4848","0.0016","93.744","0.003","103.312","0.003","104.408","0.006","2512.1","0.5","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 B2 F8 Fe N14 O8 -","- C42 H42 B2 F8 Fe N14 O8 -","- C84 H84 B4 F16 Fe2 N28 O16 -","2","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0787","","","","0.2469","","","","","","1.071","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333783","9.9161","0.0016","13.769","0.002","18.134","0.003","83.954","0.006","80.63","0.006","69.048","0.005","2278.4","0.6","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H39 B2 F8 Fe N13 O -","- C44 H39 B2 F8 Fe N13 O -","- C88 H78 B4 F16 Fe2 N26 O2 -","2","1","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.053","","","","0.1548","","","","","","1.018","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333784","14.104","0.004","14.306","0.004","19.663","0.006","97.005","0.005","92.545","0.006","91.146","0.005","3933","2","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H35 B2 F8 Fe N10 O0.5 -","- C40 H35 B2 F8 Fe N10 O0.5 -","- C160 H140 B8 F32 Fe4 N40 O2 -","4","2","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0636","","","","0.2067","","","","","","1.128","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333785","17.211","0.004","15.17","0.003","19.113","0.004","90","","111.999","0.003","90","","4626.9","1.7","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 B2 F8 Fe N10 O6 -","- C46 H42 B2 F8 Fe N10 O6 -","- C184 H168 B8 F32 Fe4 N40 O24 -","4","0.5","","Yuta Hasegawa; Ryota Sakamoto; Kazuhiro Takahashi; Hiroshi Nishihara","Bis[(E)-2,6-bis(1H-pyrazol-1-yl)-4-styrylpyridine]iron(II) Complex: Relationship between Thermal Spin Crossover and Crystal Solvent","Inorganic Chemistry","2013","52","","1658","1665","10.1021/ic302640m","","","0.71073","MoKα","","","0.0552","","","","0.1493","","","","","","1.095","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4333786","8.8652","0.0008","8.9505","0.0008","14.3752","0.0013","98.726","0.004","91.036","0.004","115.678","0.004","1011.59","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H34 N8 Ni -","- C16 H34 N8 Ni -","- C32 H68 N16 Ni2 -","2","1","","Lakmal C. Kalutarage; Mary Jane Heeg; Philip D. Martin; Mark J. Saly; David S. Kuiper; Charles H. Winter","Volatility and High Thermal Stability in Mid-to-Late First-Row Transition-Metal Complexes Containing 1,2,5-Triazapentadienyl Ligands","Inorganic Chemistry","2013","52","","1182","1184","10.1021/ic302787z","","","0.71073","MoKα","","0.092","0.0719","","","0.2021","0.2211","","","","","","1.101","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333787","8.8829","0.0012","8.9541","0.0012","14.462","0.002","98.993","0.003","90.876","0.003","115.389","0.003","1022","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H34 Co N8 -","- C16 H34 Co N8 -","- C32 H68 Co2 N16 -","2","1","","Lakmal C. Kalutarage; Mary Jane Heeg; Philip D. Martin; Mark J. Saly; David S. Kuiper; Charles H. Winter","Volatility and High Thermal Stability in Mid-to-Late First-Row Transition-Metal Complexes Containing 1,2,5-Triazapentadienyl Ligands","Inorganic Chemistry","2013","52","","1182","1184","10.1021/ic302787z","","","0.71073","MoKα","","0.0288","0.0261","","","0.0684","0.07","","","","","","1.048","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333788","3.83994","0.0001","3.83994","0.0001","28.6923","0.0011","90","","90","","90","","423.07","0.02","295","","295","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C0.49 Co5.51 La1.52 O16.76 Sr6.48 -","- C0.486 Co5.514 La1.52 O16.7592 Sr6.48 -","- C0.486 Co5.514 La1.52 O16.7592 Sr6.48 -","1","0.03125","","A. Demont; S. Hébert; J. Höwing; Y. Bréard; D. Pelloquin","Large Oxygen Nonstoichiometry in La0.77Sr3.23Co2.75C0.25O8.40+δ Oxide (δ = 0, 1.3) Related to n= 3 RP Series","Inorganic Chemistry","2013","52","","1265","1274","10.1021/ic3017694","powder diffraction","neutron","1.558","neutron","","","","","","","","","3.8212","","","","","","","","has coordinates,has Fobs","179440","2020-10-21","18:00:00",""
"4333789","3.83187","0.00007","3.83187","0.00007","28.0582","0.0007","90","","90","","90","","411.985","0.015","295","","295","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C0.36 Co5.64 La1.52 O19.14 Sr6.48 -","- C0.356 Co5.644 La1.52 O19.1424 Sr6.48 -","- C0.356 Co5.644 La1.52 O19.1424 Sr6.48 -","1","0.03125","","A. Demont; S. Hébert; J. Höwing; Y. Bréard; D. Pelloquin","Large Oxygen Nonstoichiometry in La0.77Sr3.23Co2.75C0.25O8.40+δ Oxide (δ = 0, 1.3) Related to n= 3 RP Series","Inorganic Chemistry","2013","52","","1265","1274","10.1021/ic3017694","powder diffraction","neutron","1.558","neutron","","","","","","","","","3.8181","","","","","","","","has coordinates,has Fobs","179440","2020-10-21","18:00:00",""
"4333790","8.333","0.003","9.134","0.004","14.611","0.007","90","","90","","90","","1112.1","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Cl3 N2 Sn -","- C6 H11 Cl3 N2 Sn -","- C24 H44 Cl12 N8 Sn4 -","4","1","","Matthew Currie; Julien Estager; Peter Licence; Shuang Men; Peter Nockemann; Kenneth R. Seddon; Małgorzata Swadźba-Kwaśny; Cécile Terrade","Chlorostannate(II) Ionic Liquids: Speciation, Lewis Acidity, and Oxidative Stability","Inorganic Chemistry","2013","52","","1710","1721","10.1021/ic300241p","","","0.71075","MOKα","","0.0314","0.0274","","","0.0424","0.044","","","","","","0.996","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333791","9.43","0.003","14.241","0.005","15.465","0.005","90","","90","","90","","2076.8","1.2","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H22 Cl6 N4 Sn -","- C12 H22 Cl6 N4 Sn -","- C48 H88 Cl24 N16 Sn4 -","4","0.5","","Matthew Currie; Julien Estager; Peter Licence; Shuang Men; Peter Nockemann; Kenneth R. Seddon; Małgorzata Swadźba-Kwaśny; Cécile Terrade","Chlorostannate(II) Ionic Liquids: Speciation, Lewis Acidity, and Oxidative Stability","Inorganic Chemistry","2013","52","","1710","1721","10.1021/ic300241p","","","0.71075","MOKα","","0.0395","0.0319","","","0.1212","0.1283","","","","","","0.939","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333792","6.0629","0.0001","11.9307","0.0001","12.4639","0.0001","70.646","0.001","78.058","0.001","84.945","0.001","832.027","0.018","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N4 P -","- C19 H23 N4 P -","- C38 H46 N8 P2 -","2","1","","Wei-Chih Lee; Jeremiah M. Sears; Raphel A. Enow; Kelly Eads; Donald A. Krogstad; Brian J. Frost","Hemilabile β-Aminophosphine Ligands Derived from 1,3,5-Triaza-7-phosphaadamantane: Application in Aqueous Ruthenium Catalyzed Nitrile Hydration","Inorganic Chemistry","2013","52","","1737","1746","10.1021/ic301160x","","","0.71073","MoKα","","0.0512","0.0467","","","0.1232","0.1314","","","","","","1.081","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333793","8.4849","0.0017","15.47","0.003","16.997","0.003","90","","100.05","0.03","90","","2196.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 Cl0 N4 O P -","- C26 H27 N4 O P -","- C104 H108 N16 O4 P4 -","4","1","","Wei-Chih Lee; Jeremiah M. Sears; Raphel A. Enow; Kelly Eads; Donald A. Krogstad; Brian J. Frost","Hemilabile β-Aminophosphine Ligands Derived from 1,3,5-Triaza-7-phosphaadamantane: Application in Aqueous Ruthenium Catalyzed Nitrile Hydration","Inorganic Chemistry","2013","52","","1737","1746","10.1021/ic301160x","","","0.71073","MoKα","","0.0718","0.0637","","","0.1818","0.1876","","","","","","1.086","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333794","8.7968","0.0002","10.6329","0.0003","12.3025","0.0003","93.558","0.001","94.457","0.001","101.431","0.001","1120.95","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H33 N4 O3 P -","- C22 H33 N4 O3 P -","- C44 H66 N8 O6 P2 -","2","1","","Wei-Chih Lee; Jeremiah M. Sears; Raphel A. Enow; Kelly Eads; Donald A. Krogstad; Brian J. Frost","Hemilabile β-Aminophosphine Ligands Derived from 1,3,5-Triaza-7-phosphaadamantane: Application in Aqueous Ruthenium Catalyzed Nitrile Hydration","Inorganic Chemistry","2013","52","","1737","1746","10.1021/ic301160x","","","0.71073","MoKα","","0.0514","0.0467","","","0.1241","0.1281","","","","","","1.031","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333795","12.413","0.0002","20.2421","0.0003","23.485","0.0004","90","","90","","90","","5900.96","0.16","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H35 Cl4 N4 O P Ru -","- C28 H35 Cl4 N4 O P Ru -","- C224 H280 Cl32 N32 O8 P8 Ru8 -","8","1","","Wei-Chih Lee; Jeremiah M. Sears; Raphel A. Enow; Kelly Eads; Donald A. Krogstad; Brian J. Frost","Hemilabile β-Aminophosphine Ligands Derived from 1,3,5-Triaza-7-phosphaadamantane: Application in Aqueous Ruthenium Catalyzed Nitrile Hydration","Inorganic Chemistry","2013","52","","1737","1746","10.1021/ic301160x","","","0.71073","MoKα","","0.0578","0.0381","","","0.0764","0.0848","","","","","","1.057","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333796","10.0947","0.0003","28.9462","0.0007","11.8438","0.0003","90","","112.996","0.001","90","","3185.77","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cl F6 N4 P2 Ru -","- C32 H35 Cl F6 N4 P2 Ru -","- C128 H140 Cl4 F24 N16 P8 Ru4 -","4","1","","Wei-Chih Lee; Jeremiah M. Sears; Raphel A. Enow; Kelly Eads; Donald A. Krogstad; Brian J. Frost","Hemilabile β-Aminophosphine Ligands Derived from 1,3,5-Triaza-7-phosphaadamantane: Application in Aqueous Ruthenium Catalyzed Nitrile Hydration","Inorganic Chemistry","2013","52","","1737","1746","10.1021/ic301160x","","","0.71073","MoKα","","0.0349","0.0321","","","0.08","0.0812","","","","","","1.128","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333797","11.105","0.0004","29.1731","0.0009","12.5302","0.0004","90","","103.333","0.002","90","","3950","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H65 N O4 Ti -","- C39 H65 N O4 Ti -","- C156 H260 N4 O16 Ti4 -","4","1","","Lan-Chang Liang; Sheng-Ta Lin; Chia-Cheng Chien","Titanium Complexes of Tridentate Aminebiphenolate Ligands Containing Distinct N-Alkyls: Profound N-Substituent Effect on Ring-Opening Polymerization Catalysis","Inorganic Chemistry","2013","52","","1780","1786","10.1021/ic301551v","","","0.71073","MoKα","","0.0653","0.0528","","","0.1406","0.1536","","","","","","1.042","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333798","11.0381","0.0011","12.207","0.0012","17.6583","0.0018","72.253","0.006","72.868","0.006","75.706","0.005","2133","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H65 N O4 Ti -","- C39 H65 N O4 Ti -","- C78 H130 N2 O8 Ti2 -","2","1","","Lan-Chang Liang; Sheng-Ta Lin; Chia-Cheng Chien","Titanium Complexes of Tridentate Aminebiphenolate Ligands Containing Distinct N-Alkyls: Profound N-Substituent Effect on Ring-Opening Polymerization Catalysis","Inorganic Chemistry","2013","52","","1780","1786","10.1021/ic301551v","","","0.71073","MoKα","","0.107","0.0916","","","0.263","0.2719","","","","","","1.09","","","","has coordinates,has disorder","179440","2020-10-21","18:00:00",""
"4333799","7.5157","0.0014","7.6821","0.0014","8.2543","0.0015","70.799","0.003","89.325","0.003","64.82","0.003","402.69","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- H14 N4 O20 Sc2 -","- H14 N4 O20 Sc2 -","- H14 N4 O20 Sc2 -","1","0.5","","Wei Wang; I-Ya Chang; Lev Zakharov; Paul Ha-Yeon Cheong; Douglas A. Keszler","[Sc2(μ-OH)2(H2O)6(NO3)2](NO3)2: Aqueous Synthesis and Characterization","Inorganic Chemistry","2013","52","","1807","1811","10.1021/ic301814z","","","0.71073","MoKα","","0.0239","0.0225","","","0.0608","0.0621","","","","","","1.098","","","","has coordinates","179440","2020-10-21","18:00:00",""
"4333800","10.9071","0.0009","12.8656","0.001","13.8554","0.0012","77.327","0.004","71.974","0.004","78.734","0.004","1786.7","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C15 H32 Fe N31 Na2 O5 -","- C15 H32 Fe N31 Na2 O5 -","- C30 H64 Fe2 N62 Na4 O10 -","2","1","","Cyril Cook; Fatemah Habib; Tomoko Aharen; Rodolphe Clérac; Anguang Hu; Muralee Murugesu","High-Temperature Spin Crossover Behavior in a Nitrogen-Rich FeIII-Based System","Inorganic Chemistry","2013","52","","1825","1831","10.1021/ic301864d","","","1.54178","CuKα","","0.1419","0.1057","","","0.2967","0.3259","","","","","","1.042","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333801","16.5679","0.0006","11.6568","0.0004","10.5831","0.0004","90","","90","","90","","2043.9","0.13","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H13 Ba2 Nb O23 -","- C8 H13 Ba2 Nb O23 -","- C32 H52 Ba8 Nb4 O92 -","4","0.5","","Marijana Jurić; Jasminka Popović; Ana Šantić; Krešimir Molčanov; Nevenka Brničević; Pavica Planinić","Single-Step Preparation of the Mixed BaII-NbV Oxides from a Heteropolynuclear Oxalate Complex","Inorganic Chemistry","2013","52","","1832","1842","10.1021/ic301888p","","x-ray","0.71073","MoKα","","","0.0243","","","","0.0564","","","","","","0.972","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333802","8.436","0.005","7.843","0.005","23.14","0.014","90","","90","","90","","1531","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H10 As2 N2 O9 -","- C12 H10 As2 N2 O9 -","- C48 H40 As8 N8 O36 -","4","0.5","","Xiang-Ying Qian; Jun-Ling Song; Jiang-Gao Mao","Silver Pyroarsonates Obtained from Ag(I)-Mediated in Situ Condensation of Aryl Arsonate Ligands under Solvothermal Conditions","Inorganic Chemistry","2013","52","","1843","1853","10.1021/ic301935g","","","0.71073","MoKα","","0.041","0.0349","","","0.0835","0.087","","","","","","1.045","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333803","5.939","0.003","11.086","0.005","12.822","0.006","84.902","0.009","87.198","0.011","84.968","0.009","836.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Ag3 As2 N O5 -","- C13 H10 Ag3 As2 N O5 -","- C26 H20 Ag6 As4 N2 O10 -","2","1","","Xiang-Ying Qian; Jun-Ling Song; Jiang-Gao Mao","Silver Pyroarsonates Obtained from Ag(I)-Mediated in Situ Condensation of Aryl Arsonate Ligands under Solvothermal Conditions","Inorganic Chemistry","2013","52","","1843","1853","10.1021/ic301935g","","","0.71073","MoKα","","0.0425","0.032","","","0.0564","0.0603","","","","","","0.955","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333804","15.988","0.005","15.673","0.004","7.46","0.002","90","","93.839","0.005","90","","1865.1","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Ag3 As2 N3 O9 -","- C13 H8 Ag3 As2 N3 O9 -","- C52 H32 Ag12 As8 N12 O36 -","4","1","","Xiang-Ying Qian; Jun-Ling Song; Jiang-Gao Mao","Silver Pyroarsonates Obtained from Ag(I)-Mediated in Situ Condensation of Aryl Arsonate Ligands under Solvothermal Conditions","Inorganic Chemistry","2013","52","","1843","1853","10.1021/ic301935g","","","0.71073","MoKα","","0.0626","0.0454","","","0.094","0.1035","","","","","","1.034","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333805","6.68","0.003","8.387","0.003","17.25","0.007","79.226","0.011","87.677","0.01","79.746","0.009","934.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Ag3 As2 N2 O12 -","- C12 H9 Ag3 As2 N2 O12 -","- C24 H18 Ag6 As4 N4 O24 -","2","1","","Xiang-Ying Qian; Jun-Ling Song; Jiang-Gao Mao","Silver Pyroarsonates Obtained from Ag(I)-Mediated in Situ Condensation of Aryl Arsonate Ligands under Solvothermal Conditions","Inorganic Chemistry","2013","52","","1843","1853","10.1021/ic301935g","","","0.71073","MoKα","","0.0693","0.0513","","","0.0824","0.0915","","","","","","1.104","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333806","10.409","0.011","5.664","0.006","16.46","0.019","90","","94.059","0.019","90","","968","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H8 Ag4 As2 N2 O12 -","- C12 H8 Ag4 As2 N2 O12 -","- C24 H16 Ag8 As4 N4 O24 -","2","1","","Xiang-Ying Qian; Jun-Ling Song; Jiang-Gao Mao","Silver Pyroarsonates Obtained from Ag(I)-Mediated in Situ Condensation of Aryl Arsonate Ligands under Solvothermal Conditions","Inorganic Chemistry","2013","52","","1843","1853","10.1021/ic301935g","","","0.71073","MoKα","","0.0988","0.0668","","","0.1256","0.1453","","","","","","1.039","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333807","13.0625","0.0005","13.0625","0.0005","52.565","0.002","90","","90","","90","","8969.1","0.6","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","CAU-8","","","- C15 H9 Al O6 -","- C15 H9 Al O6 -","- C240 H144 Al16 O96 -","16","1","","Helge Reinsch; Martin Krüger; Jerome Marrot; Norbert Stock","First Keto-Functionalized Microporous Al-Based Metal-Organic Framework: [Al(OH)(O2C-C6H4-CO-C6H4-CO2)]","Inorganic Chemistry","2013","52","","1854","1859","10.1021/ic301961q","","","0.71073","MoKα","","0.1752","0.0791","","","0.1968","0.2299","","","","","","1.017","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333808","43.6079","0.0017","28.7572","0.001","50.5916","0.0019","90","","120.999","0.002","90","","54383","4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C240 H385.8 Cl2.1 Fe36 N55.9 O264 P44 -","- C240 H236 Cl2.1 Fe36 N55.9 O287 P44 -","- C960 H944 Cl8.4 Fe144 N223.6 O1148 P176 -","4","0.5","","Christine M. Beavers; Andrey V. Prosverin; John D. Cashion; Kim R. Dunbar; Anne F. Richards","An Unprecedented Fe36 Phosphonate Cage","Inorganic Chemistry","2013","52","","1670","1672","10.1021/ic3020145","","","1.0332","synchrotron","","0.2414","0.1927","","","0.4821","0.5115","","","","","","3.75","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333809","28.6989","0.0003","28.6989","0.0003","132.1838","0.0012","90","","90","","120","","94284.3","1.6","293","2","130","2","","","","","","","","8","R -3 c :H","-R 3 2""c","167","","","","- C238 H434 F42 Fe36 N44 O302 P44 S14 -","- C237.88 H187.8 F42.06 Fe36 N43.98 O301.52 P44 S14.02 -","- C1427.28 H1126.8 F252.36 Fe216 N263.88 O1809.12 P264 S84.12 -","6","0.166667","","Christine M. Beavers; Andrey V. Prosverin; John D. Cashion; Kim R. Dunbar; Anne F. Richards","An Unprecedented Fe36 Phosphonate Cage","Inorganic Chemistry","2013","52","","1670","1672","10.1021/ic3020145","","","1.54184","CuKα","","0.1698","0.148","","","0.4356","0.4606","","","","","","2.156","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333810","35.497","0.003","35.497","0.003","35.497","0.003","90","","90","","90","","44728","7","180","2","180","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C51 H48 B O7 Zn1.5 -","- C51 H48 B O7 Zn1.5 -","- C1632 H1536 B32 O224 Zn48 -","32","0.333333","","Barry A. Blight; Rémy Guillet-Nicolas; Freddy Kleitz; Rui-Yao Wang; Suning Wang","Luminescent Triarylboron-Functionalized Zinc Carboxylate Metal-Organic Framework","Inorganic Chemistry","2013","52","","1673","1675","10.1021/ic3020223","","","0.71073","MoKα","","0.2663","0.0999","","","0.1973","0.2333","","","","","","1.589","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333811","19.2797","0.0012","14.2385","0.0008","43.804","0.002","90","","113.085","0.005","90","","11061.9","1.1","180","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H67 B O6 -","- C65 H67 B O6 -","- C520 H536 B8 O48 -","8","2","","Barry A. Blight; Rémy Guillet-Nicolas; Freddy Kleitz; Rui-Yao Wang; Suning Wang","Luminescent Triarylboron-Functionalized Zinc Carboxylate Metal-Organic Framework","Inorganic Chemistry","2013","52","","1673","1675","10.1021/ic3020223","","","0.71073","MoKα","","0.4033","0.1031","","","0.2044","0.3466","","","","","","0.911","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333812","21.4992","0.0007","14.945","0.0006","20.9125","0.0008","90","","92.874","0.003","90","","6710.9","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(μ~3~-oxido)-bis(μ~2~-hydroxido)-tetrakis(2,8,9-trioxa-5-aza-3,3,7,7- tetramethyl-1-stanna-tricyclo[3.3.3.0^1.5^]undecane)-(stannanediol) hexaaqua solvate","","- C40 H96 N4 O24 Sn5 -","- C40 H84 N4 O18 Sn5 -","- C160 H336 N16 O72 Sn20 -","4","0.5","","Thomas Zöller; Klaus Jurkschat","Novel Trialkanolamine Derivatives of Tin of the Type [N(CH2CMe2O)2(CH2)nOSnOR]m (m= 1, 2;n= 2, 3; R =t-Bu, 2,6-Me2C6H3) and Related Tri- and Pentanuclear Tin(IV) Oxoclusters. Syntheses and Molecular Structures","Inorganic Chemistry","2013","52","","1872","1882","10.1021/ic302042n","","","0.71073","MoKα","","0.0441","0.027","","","0.0721","0.0743","","","","","","0.838","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333813","14.665","0.0005","10.4734","0.0004","22.9617","0.0009","90","","95.578","0.004","90","","3510","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-tert-butanolato-(2,8,9-trioxa-5-aza- 3,3,7,7-tetramethyl-stannatricyclo[3.3.3.0^1.5^]undecane","","- C14 H29 N O4 Sn -","- C14 H29 N O4 Sn -","- C112 H232 N8 O32 Sn8 -","8","2","","Thomas Zöller; Klaus Jurkschat","Novel Trialkanolamine Derivatives of Tin of the Type [N(CH2CMe2O)2(CH2)nOSnOR]m (m= 1, 2;n= 2, 3; R =t-Bu, 2,6-Me2C6H3) and Related Tri- and Pentanuclear Tin(IV) Oxoclusters. Syntheses and Molecular Structures","Inorganic Chemistry","2013","52","","1872","1882","10.1021/ic302042n","","","0.71073","MoKα","","0.0365","0.0244","","","0.0464","0.0477","","","","","","0.907","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333814","11.8063","0.0006","12.5549","0.0006","14.1181","0.0008","90","","102.23","0.006","90","","2045.19","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{1-tert-butanolato-(2,9,10-trioxa-6-aza-8,8,11,11- tetramethylstannatricyclo-[4.3.3.0^1.6^]dodecane} toluene solvate","","- C37 H70 N2 O8 Sn2 -","- C37 H70 N2 O8 Sn2 -","- C74 H140 N4 O16 Sn4 -","2","0.5","","Thomas Zöller; Klaus Jurkschat","Novel Trialkanolamine Derivatives of Tin of the Type [N(CH2CMe2O)2(CH2)nOSnOR]m (m= 1, 2;n= 2, 3; R =t-Bu, 2,6-Me2C6H3) and Related Tri- and Pentanuclear Tin(IV) Oxoclusters. Syntheses and Molecular Structures","Inorganic Chemistry","2013","52","","1872","1882","10.1021/ic302042n","","","0.71073","MoKα","","0.0386","0.0258","","","0.0488","0.0499","","","","","","0.89","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333815","8.3446","0.0003","15.589","0.0005","14.5629","0.0005","90","","94.049","0.003","90","","1889.67","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis{1-(2,6-dimethylphenolato)-(2,8,9-trioxa-5-aza- 3,3,7,7-tetramethyl-stannatricyclo[3.3.3.0^1.5^]undecane}","","- C36 H58 N2 O8 Sn2 -","- C36 H58 N2 O8 Sn2 -","- C72 H116 N4 O16 Sn4 -","2","0.5","","Thomas Zöller; Klaus Jurkschat","Novel Trialkanolamine Derivatives of Tin of the Type [N(CH2CMe2O)2(CH2)nOSnOR]m (m= 1, 2;n= 2, 3; R =t-Bu, 2,6-Me2C6H3) and Related Tri- and Pentanuclear Tin(IV) Oxoclusters. Syntheses and Molecular Structures","Inorganic Chemistry","2013","52","","1872","1882","10.1021/ic302042n","","","0.71073","MoKα","","0.0267","0.0211","","","0.0483","0.049","","","","","","0.953","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333816","12.5366","0.0003","19.3994","0.0006","17.3503","0.0004","90","","93.103","0.002","90","","4213.45","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(μ~3~-oxido)(μ~3~-tert-butanolato)-tris(2,8,9-trioxa-5-aza- 3,3,7,7-tetramethyl-1-stanna-tricyclo[3.3.3.0^1.5^]undecane)","","- C34 H69 N3 O11 Sn3 -","- C34 H69 N3 O11 Sn3 -","- C136 H276 N12 O44 Sn12 -","4","1","","Thomas Zöller; Klaus Jurkschat","Novel Trialkanolamine Derivatives of Tin of the Type [N(CH2CMe2O)2(CH2)nOSnOR]m (m= 1, 2;n= 2, 3; R =t-Bu, 2,6-Me2C6H3) and Related Tri- and Pentanuclear Tin(IV) Oxoclusters. Syntheses and Molecular Structures","Inorganic Chemistry","2013","52","","1872","1882","10.1021/ic302042n","","","0.71073","MoKα","","0.0352","0.023","","","0.0446","0.046","","","","","","0.876","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333817","10.3333","0.0004","12.1067","0.0005","20.0604","0.0009","96.438","0.003","98.35","0.004","108.326","0.004","2323.57","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(μ~3~-oxido)(2,6-dimethylphenolato)-tris(2,8,9-trioxa-5-aza-3,3,7,7- tetramethyl-1-stanna-tricyclo[3.3.3.0^1.5^]undecane) toluene solvate","","- C41.5 H73 N3 O11 Sn3 -","- C38 H69 N3 O11 Sn3 -","- C76 H138 N6 O22 Sn6 -","2","1","","Thomas Zöller; Klaus Jurkschat","Novel Trialkanolamine Derivatives of Tin of the Type [N(CH2CMe2O)2(CH2)nOSnOR]m (m= 1, 2;n= 2, 3; R =t-Bu, 2,6-Me2C6H3) and Related Tri- and Pentanuclear Tin(IV) Oxoclusters. Syntheses and Molecular Structures","Inorganic Chemistry","2013","52","","1872","1882","10.1021/ic302042n","","","0.71073","MoKα","","0.0678","0.0306","","","0.0457","0.048","","","","","","0.712","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333818","11.9802","0.0016","17.8","0.002","7.1567","0.001","90","","95.955","0.002","90","","1517.9","0.3","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Cl N3 O3 Pt S -","- C12 H18 Cl N3 O3 Pt S -","- C48 H72 Cl4 N12 O12 Pt4 S4 -","4","1","","Dong Zhang; Ye Bin; Lorillee Tallorin; Florence Tse; Blanca Hernandez; Errol V. Mathias; Timothy Stewart; Robert Bau; Matthias Selke","Sequential Photooxidation of a Pt(II) (Diimine)cysteamine Complex: Intermolecular Oxygen Atom Transfer versus Sulfinate Formation","Inorganic Chemistry","2013","52","","1676","1678","10.1021/ic3020578","","","0.71073","MoKα","","0.0228","0.0207","","","0.0461","0.0469","","","","","","1.062","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333819","10.504","0.004","11.299","0.005","12.294","0.004","111.917","0.005","103.026","0.005","101.58","0.004","1251.6","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H29 Cl2 N3 O Pt S -","- C24 H29 Cl2 N3 O Pt S -","- C48 H58 Cl4 N6 O2 Pt2 S2 -","2","1","","Palani Elumalai; Natesan Thirupathi; Munirathinam Nethaji","Dual Role of Acetate as a Nucleophile and as an Internal Base in Cycloplatination Reaction of sym-N,N',N""-Triarylguanidines","Inorganic Chemistry","2013","52","","1883","1894","10.1021/ic302058u","","","0.71073","MoKα","","0.0649","0.0496","","","0.1242","0.177","","","","","","1.206","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333820","12.658","0.005","16.391","0.005","16.94","0.004","79.543","0.005","75.782","0.005","76.201","0.004","3280.3","1.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C25.5 H30.5 Cl6.5 N3 O4 Pt S -","- C25.5 H30.5 Cl6.5 N3 O4 Pt S -","- C102 H122 Cl26 N12 O16 Pt4 S4 -","4","2","","Palani Elumalai; Natesan Thirupathi; Munirathinam Nethaji","Dual Role of Acetate as a Nucleophile and as an Internal Base in Cycloplatination Reaction of sym-N,N',N""-Triarylguanidines","Inorganic Chemistry","2013","52","","1883","1894","10.1021/ic302058u","","","0.71073","MoKα","","0.0368","0.0313","","","0.0708","0.073","","","","","","1.092","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333821","10.154","0.005","11.26","0.005","12.97","0.004","106.736","0.005","99.459","0.004","97.13","0.005","1377.5","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H35 Cl2 N3 O Pt S -","- C27 H35 Cl2 N3 O Pt S -","- C54 H70 Cl4 N6 O2 Pt2 S2 -","2","1","","Palani Elumalai; Natesan Thirupathi; Munirathinam Nethaji","Dual Role of Acetate as a Nucleophile and as an Internal Base in Cycloplatination Reaction of sym-N,N',N""-Triarylguanidines","Inorganic Chemistry","2013","52","","1883","1894","10.1021/ic302058u","","","0.71073","MoKα","","0.0293","0.0253","","","0.0732","0.0945","","","","","","1.309","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333822","10.8407","0.0008","11.876","0.0009","12.3107","0.0009","92.791","0.004","106.147","0.005","93.814","0.004","1515.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H38 Cl N3 O4 Pt S2 -","- C28 H32 Cl N3 O4 Pt S2 -","- C56 H64 Cl2 N6 O8 Pt2 S4 -","2","1","","Palani Elumalai; Natesan Thirupathi; Munirathinam Nethaji","Dual Role of Acetate as a Nucleophile and as an Internal Base in Cycloplatination Reaction of sym-N,N',N""-Triarylguanidines","Inorganic Chemistry","2013","52","","1883","1894","10.1021/ic302058u","","","0.71073","MoKα","","0.0427","0.0348","","","0.0955","0.119","","","","","","1.231","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333823","8.824","0.0008","10.6295","0.001","13.7122","0.0013","75.839","0.004","82.686","0.005","84.765","0.004","1234.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H28 Cl N3 O4 Pt S -","- C24 H28 Cl N3 O4 Pt S -","- C48 H56 Cl2 N6 O8 Pt2 S2 -","2","1","","Palani Elumalai; Natesan Thirupathi; Munirathinam Nethaji","Dual Role of Acetate as a Nucleophile and as an Internal Base in Cycloplatination Reaction of sym-N,N',N""-Triarylguanidines","Inorganic Chemistry","2013","52","","1883","1894","10.1021/ic302058u","","","0.71073","MoKα","","0.0262","0.0228","","","0.0591","0.0894","","","","","","1.401","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333824","8.391","0.005","11.547","0.004","12.017","0.005","80.974","0.005","77.125","0.004","80.902","0.005","1111.8","0.9","298","3","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H29 N3 -","- C25 H29 N3 -","- C50 H58 N6 -","2","1","","Palani Elumalai; Natesan Thirupathi; Munirathinam Nethaji","Dual Role of Acetate as a Nucleophile and as an Internal Base in Cycloplatination Reaction of sym-N,N',N""-Triarylguanidines","Inorganic Chemistry","2013","52","","1883","1894","10.1021/ic302058u","","","0.71073","MoKα","","0.0791","0.0622","","","0.1594","0.1716","","","","","","1.088","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333825","8.968","0.005","11.004","0.005","15.91","0.004","88.421","0.005","76.519","0.004","81.102","0.005","1508.4","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H43 Cl2 N3 O Pt S -","- C29.5 H35 Cl2 N3 O Pt S -","- C59 H70 Cl4 N6 O2 Pt2 S2 -","2","1","","Palani Elumalai; Natesan Thirupathi; Munirathinam Nethaji","Dual Role of Acetate as a Nucleophile and as an Internal Base in Cycloplatination Reaction of sym-N,N',N""-Triarylguanidines","Inorganic Chemistry","2013","52","","1883","1894","10.1021/ic302058u","","","0.71073","MoKα","","0.0302","0.0275","","","0.0784","0.0934","","","","","","1.271","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333826","17.0952","0.0006","17.0952","0.0006","17.0952","0.0006","90","","90","","90","","4996","0.3","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Pb2 S25 Ti7 Tl18 -","- Pb2 S25 Ti7 Tl18 -","- Pb8 S100 Ti28 Tl72 -","4","0.166667","","Cheriyedath Raj Sankar; Anna Becker; Abdeljalil Assoud; Holger Kleinke","New Quaternary Chalcogenides, Tl18Pb2M7Q25 (M= Ti, Zr, and Hf;Q= S and Se): Crystal Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","1895","1900","10.1021/ic3020699","","","0.71073","MoKα","","0.0522","0.0379","","","0.059","0.0646","","","","","","1.111","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333827","17.6758","0.0016","17.6758","0.0016","17.6758","0.0016","90","","90","","90","","5522.5","0.9","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Pb2 Se25 Ti7 Tl18 -","- Pb2 Se25 Ti7 Tl18 -","- Pb8 Se100 Ti28 Tl72 -","4","0.166667","","Cheriyedath Raj Sankar; Anna Becker; Abdeljalil Assoud; Holger Kleinke","New Quaternary Chalcogenides, Tl18Pb2M7Q25 (M= Ti, Zr, and Hf;Q= S and Se): Crystal Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","1895","1900","10.1021/ic3020699","","","0.71073","MoKα","","0.0999","0.0535","","","0.1087","0.1304","","","","","","1.116","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333828","17.463","0.003","17.463","0.003","17.463","0.003","90","","90","","90","","5325.5","1.6","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Pb2 S25 Tl18 Zr7 -","- Pb2 S25 Tl18 Zr7 -","- Pb8 S100 Tl72 Zr28 -","4","0.166667","","Cheriyedath Raj Sankar; Anna Becker; Abdeljalil Assoud; Holger Kleinke","New Quaternary Chalcogenides, Tl18Pb2M7Q25 (M= Ti, Zr, and Hf;Q= S and Se): Crystal Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","1895","1900","10.1021/ic3020699","","","0.71073","MoKα","","0.1025","0.0625","","","0.1198","0.1376","","","","","","1.087","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333829","17.4489","0.0008","17.4489","0.0008","17.4489","0.0008","90","","90","","90","","5312.6","0.4","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Hf7 Pb2 S25 Tl18 -","- Hf7 Pb2 S25 Tl18 -","- Hf28 Pb8 S100 Tl72 -","4","0.166667","","Cheriyedath Raj Sankar; Anna Becker; Abdeljalil Assoud; Holger Kleinke","New Quaternary Chalcogenides, Tl18Pb2M7Q25 (M= Ti, Zr, and Hf;Q= S and Se): Crystal Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","1895","1900","10.1021/ic3020699","","","0.71073","MoKα","","0.0527","0.0362","","","0.072","0.0813","","","","","","1.089","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333830","18.001","0.003","18.001","0.003","18.001","0.003","90","","90","","90","","5833","1.7","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Hf7 Pb2 Se25 Tl18 -","- Hf7 Pb2 Se25 Tl18 -","- Hf28 Pb8 Se100 Tl72 -","4","0.166667","","Cheriyedath Raj Sankar; Anna Becker; Abdeljalil Assoud; Holger Kleinke","New Quaternary Chalcogenides, Tl18Pb2M7Q25 (M= Ti, Zr, and Hf;Q= S and Se): Crystal Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","1895","1900","10.1021/ic3020699","","","0.71073","MoKα","","0.0603","0.0374","","","0.0641","0.0737","","","","","","1.068","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333831","16.8802","0.0017","17.0342","0.0017","29.061","0.003","90","","94.402","0.003","90","","8331.6","1.5","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H196 Cd5 Cl16 N56 O81 -","- C84 H84 Cd5 Cl16 N56 O40 -","- C168 H168 Cd10 Cl32 N112 O80 -","2","0.5","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.0986","0.0812","","","0.2228","0.2326","","","","","","1.115","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333832","16.908","0.0013","27.771","0.002","20.9455","0.0016","90","","98.635","0.002","90","","9723.5","1.3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C84 H232 Cd3 Cl18 La4 N56 O102 -","- C84 H84 Cd3 Cl18 La4 N56 O52 -","- C168 H168 Cd6 Cl36 La8 N112 O104 -","2","0.5","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.0989","0.0734","","","0.2121","0.2272","","","","","","1.01","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333833","16.819","0.002","17.138","0.002","28.696","0.003","90","","94.943","0.004","90","","8240.7","1.6","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H89 Cd2 Cl8 La N28 O37 -","- C42 H42 Cd2 Cl8 La N28 O20 -","- C168 H168 Cd8 Cl32 La4 N112 O80 -","4","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.1011","0.0553","","","0.1331","0.1489","","","","","","0.894","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333834","16.966","0.002","17.18","0.002","20.557","0.004","98.071","0.007","113.011","0.007","109.639","0.005","4932.4","1.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H152 Cd Ce2 Cl8 N28 O69 -","- C42 H42 Cd Ce2 Cl8 N28 O26 -","- C84 H84 Cd2 Ce4 Cl16 N56 O52 -","2","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.1283","0.1065","","","0.2729","0.2935","","","","","","1.04","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333835","16.8742","0.0014","17.1423","0.0014","28.859","0.002","90","","95.358","0.003","90","","8311.4","1.1","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H97 Cd2 Ce Cl8 N28 O41 -","- C42 H42 Cd2 Ce Cl8 N28 O20 -","- C168 H168 Cd8 Ce4 Cl32 N112 O80 -","4","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.0695","0.0465","","","0.1187","0.1261","","","","","","1.033","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333836","16.961","0.003","17.353","0.004","20.498","0.007","98.412","0.01","112.713","0.01","109.76","0.007","4964","2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H146 Cd Cl8 N28 O66 Pr2 -","- C42 H42 Cd Cl8 N28 O26 Pr2 -","- C84 H84 Cd2 Cl16 N56 O52 Pr4 -","2","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.1172","0.1013","","","0.2766","0.2956","","","","","","1.111","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333837","16.847","0.002","17.127","0.002","28.907","0.004","90","","95.491","0.004","90","","8302.5","1.8","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H133 Cd2 Cl8 N28 O59 Pr -","- C42 H42 Cd2 Cl8 N28 O20 Pr -","- C168 H168 Cd8 Cl32 N112 O80 Pr4 -","4","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.1443","0.1019","","","0.2882","0.3072","","","","","","1.036","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333838","17.013","0.003","17.386","0.003","20.459","0.005","98.417","0.009","112.688","0.009","110.141","0.006","4962.1","1.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H176 Cd Cl8 N28 Nd2 O81 -","- C42 H42 Cd Cl8 N28 Nd2 O26 -","- C84 H84 Cd2 Cl16 N56 Nd4 O52 -","2","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.1554","0.1246","","","0.3052","0.3313","","","","","","1.139","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333839","16.838","0.003","17.076","0.003","28.96","0.005","90","","95.578","0.005","90","","8287","3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H129 Cd2 Cl8 N28 Nd O57 -","- C42 H42 Cd2 Cl8 N28 Nd O20 -","- C168 H168 Cd8 Cl32 N112 Nd4 O80 -","4","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.1185","0.0975","","","0.2736","0.2856","","","","","","1.092","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333840","17.026","0.004","17.314","0.004","20.278","0.007","97.602","0.005","112.93","0.005","111.329","0.004","4860","2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H130 Cd Cl8 N28 O58 Sm2 -","- C42 H42 Cd Cl8 N28 O24 Sm2 -","- C84 H84 Cd2 Cl16 N56 O48 Sm4 -","2","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.0572","0.0475","","","0.1417","0.1471","","","","","","1.078","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333841","16.931","0.004","17.078","0.004","20.353","0.007","97.495","0.01","113.477","0.01","111.168","0.007","4768","2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H106 Cd Cl8 Eu2 N28 O55 -","- C42 H42 Cd Cl8 Eu2 N28 O23 -","- C84 H84 Cd2 Cl16 Eu4 N56 O46 -","2","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.0547","0.046","","","0.1259","0.1315","","","","","","1.003","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333842","16.85","0.003","16.902","0.003","29.052","0.004","90","","95.183","0.005","90","","8240","2","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H145 Cd2 Cl8 Eu N28 O65 -","- C42 H42 Cd2 Cl8 Eu N28 O19 -","- C168 H168 Cd8 Cl32 Eu4 N112 O76 -","4","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.1658","0.1526","","","0.3865","0.3943","","","","","","1.038","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333843","16.973","0.003","17.159","0.002","20.322","0.003","97.596","0.006","113.544","0.005","111.349","0.005","4779","1.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H148 Cd Cl8 Gd2 N28 O67 -","- C42 H42 Cd Cl8 Gd2 N28 O24 -","- C84 H84 Cd2 Cl16 Gd4 N56 O48 -","2","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.1157","0.0971","","","0.2583","0.2757","","","","","","1.012","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4333844","16.969","0.002","27.923","0.004","20.348","0.003","90","","97.399","0.004","90","","9561","2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H142 Cd Cl8 N28 O64 Tb2 -","- C42 H42 Cd Cl8 N28 O24 Tb2 -","- C168 H168 Cd4 Cl32 N112 O96 Tb8 -","4","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.1254","0.095","","","0.2574","0.2841","","","","","","1.034","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333845","17.016","0.003","17.225","0.003","20.321","0.006","114.113","0.011","97.361","0.01","111.001","0.007","4805","2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H180 Cd Cl8 Dy2 N28 O73 -","- C42 H42 Cd Cl8 Dy2 N28 O24 -","- C84 H84 Cd2 Cl16 Dy4 N56 O48 -","2","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.1449","0.1175","","","0.2984","0.3249","","","","","","1.076","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333846","16.8475","0.0011","16.84","0.0011","29.097","0.002","90","","95.167","0.002","90","","8221.6","0.9","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H89 Cd2 Cl8 Dy N28 O37 -","- C42 H42 Cd2 Cl8 Dy N28 O19 -","- C168 H168 Cd8 Cl32 Dy4 N112 O76 -","4","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.067","0.0485","","","0.134","0.1447","","","","","","0.961","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333847","17.015","0.003","17.254","0.003","20.272","0.003","97.792","0.006","113.668","0.006","111.371","0.005","4790.8","1.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H162 Cd Cl8 Ho2 N28 O74 -","- C42 H42 Cd Cl8 Ho2 N28 O24 -","- C84 H84 Cd2 Cl16 Ho4 N56 O48 -","2","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.1361","0.1152","","","0.2888","0.3098","","","","","","1.107","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333848","17.079","0.002","17.256","0.002","20.33","0.003","114.087","0.005","97.216","0.004","111.397","0.005","4820","1.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H150 Cd Cl8 Er2 N28 O68 -","- C42 H42 Cd Cl8 Er2 N28 O24 -","- C84 H84 Cd2 Cl16 Er4 N56 O48 -","2","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.132","0.1191","","","0.3092","0.3255","","","","","","1.285","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333849","17.021","0.002","17.221","0.002","20.217","0.003","113.978","0.004","97.33","0.004","111.415","0.004","4768.1","1.1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H146 Cd Cl8 N28 O66 Tm2 -","- C42 H42 Cd Cl8 N28 O24 Tm2 -","- C84 H84 Cd2 Cl16 N56 O48 Tm4 -","2","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.1156","0.1018","","","0.2667","0.2821","","","","","","1.054","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333850","17.025","0.002","17.226","0.002","20.206","0.004","113.958","0.006","97.3","0.006","111.598","0.004","4761","1.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H140 Cd Cl8 N28 O63 Yb2 -","- C42 H42 Cd Cl8 N28 O24 Yb2 -","- C84 H84 Cd2 Cl16 N56 O48 Yb4 -","2","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.0918","0.0786","","","0.2112","0.2227","","","","","","1.054","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333851","26.8431","0.0013","16.8269","0.0008","33.796","0.0016","90","","90","","90","","15265.2","1.3","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H92 N29 Nd O43 -","- C46 H48 N29 Nd O26 -","- C368 H384 N232 Nd8 O208 -","8","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.0717","0.0509","","","0.1473","0.1583","","","","","","1.09","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333852","17.1365","0.0014","17.9392","0.0015","18.5138","0.0015","104.378","0.003","102.328","0.003","110.919","0.003","4854.1","0.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H128 Cl10 La2 N28 O57 Zn2 -","- C42 H42 Cl10 La2 N28 O26 Zn2 -","- C84 H84 Cl20 La4 N56 O52 Zn4 -","2","1","","Li-Li Liang; Xin-Long Ni; Yi Zhao; Kai Chen; Xin Xiao; Yun-Qian Zhang; Carl Redshaw; Qian-Jiang Zhu; Sai-Feng Xue; Zhu Tao","Construction of Cucurbit[7]uril Based Tubular Nanochannels Incorporating Associated [CdCl4]2- and Lanthanide Ions","Inorganic Chemistry","2013","52","","1909","1915","10.1021/ic302145j","","","0.71073","MoKα","","0.0743","0.0512","","","0.1249","0.1342","","","","","","0.945","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333853","6.857","0.0005","14.2898","0.0008","14.9747","0.0009","82.332","0.003","85.697","0.004","87.857","0.004","1449.52","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H34 N6 -","- C38 H34 N6 -","- C76 H68 N12 -","2","1","","Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas","Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII","Inorganic Chemistry","2013","52","","1926","1941","10.1021/ic302150j","","","0.71073","MoKα","","0.0937","0.0778","","","0.2138","0.2217","","","","","","1.096","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333854","7.9871","0.0002","19.6913","0.0002","12.3598","0.0002","90","","105.868","0.002","90","","1869.83","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cl6 N6 -","- C40 H36 Cl6 N6 -","- C80 H72 Cl12 N12 -","2","0.5","","Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas","Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII","Inorganic Chemistry","2013","52","","1926","1941","10.1021/ic302150j","","","0.71073","MoKα","","0.0366","0.0336","","","0.0863","0.0885","","","","","","1.035","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333855","6.6659","0.0003","14.5944","0.0007","16.4058","0.0008","90","","100.606","0.003","90","","1568.77","0.13","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Cl2 N6 -","- C38 H36 Cl2 N6 -","- C76 H72 Cl4 N12 -","2","0.5","","Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas","Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII","Inorganic Chemistry","2013","52","","1926","1941","10.1021/ic302150j","","","0.71073","MoKα","","0.0627","0.0406","","","0.0955","0.1052","","","","","","1.013","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333856","6.896","0.005","14.223","0.01","14.999","0.012","82.36","0.011","85.388","0.007","87.456","0.007","1452.5","1.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 N6 Ni -","- C38 H32 N6 Ni -","- C76 H64 N12 Ni2 -","2","1","","Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas","Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII","Inorganic Chemistry","2013","52","","1926","1941","10.1021/ic302150j","","","0.7749","synchrotron","","0.0532","0.0433","","","0.1177","0.1239","","","","","","1.028","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333857","6.842","0.007","14.204","0.014","14.982","0.015","82.306","0.014","85.505","0.015","87.51","0.016","1438","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H65.09 Co1.45 N12 -","- C76 H64 Co1.458 N12 -","- C76 H64 Co1.458 N12 -","1","0.5","","Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas","Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII","Inorganic Chemistry","2013","52","","1926","1941","10.1021/ic302150j","","","0.7749","synchrotron","","0.1989","0.1135","","","0.2729","0.3211","","","","","","1.075","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333858","5.8858","0.001","15.404","0.003","36.234","0.006","90","","90","","90","","3285.2","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H34 Cu N6 O -","- C39 H34 Cu N6 O -","- C156 H136 Cu4 N24 O4 -","4","1","","Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas","Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII","Inorganic Chemistry","2013","52","","1926","1941","10.1021/ic302150j","","","0.7749","synchrotron","","0.0656","0.0544","","","0.1398","0.147","","","","","","1.049","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333859","31.488","0.006","10.5599","0.0018","9.584","0.0016","90","","90","","90","","3186.8","1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C38.6 H35.2 Br Mn N6 O -","- C38.599 H35.198 Br Mn N6 O -","- C154.396 H140.792 Br4 Mn4 N24 O4 -","4","1","","Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas","Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII","Inorganic Chemistry","2013","52","","1926","1941","10.1021/ic302150j","","","0.71073","MoKα","","0.0574","0.0395","","","0.0727","0.0776","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333860","8.1123","0.0011","13.5986","0.0019","34.59","0.005","90","","103.564","0.003","90","","3709.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Cl4 Mn N6 -","- C39 H33 Cl4 Mn N6 -","- C156 H132 Cl16 Mn4 N24 -","4","1","","Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas","Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII","Inorganic Chemistry","2013","52","","1926","1941","10.1021/ic302150j","","","0.71073","MoKα","","0.104","0.0581","","","0.1273","0.1457","","","","","","1.02","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333861","18.6988","0.0017","9.4611","0.0008","22.402","0.002","90","","104.971","0.002","90","","3828.6","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H35 Cl6 Fe N6 -","- C39 H35 Cl6 Fe N6 -","- C156 H140 Cl24 Fe4 N24 -","4","0.5","","Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas","Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII","Inorganic Chemistry","2013","52","","1926","1941","10.1021/ic302150j","","","0.71073","MoKα","","0.0564","0.0422","","","0.1101","0.1184","","","","","","1.025","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333862","12.9154","0.0003","32.9705","0.0006","9.9792","0.0002","90","","105.367","0.002","90","","4097.49","0.15","87","2","87","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 N12 O8 Pd2 -","- C84 H80 N12 O8 Pd2 -","- C168 H160 N24 O16 Pd4 -","2","0.5","","Hamid Khaledi; Marilyn M. Olmstead; Hapipah Mohd Ali; Noel F. Thomas","Indolenine meso-Substituted Dibenzotetraaza[14]annulene and Its Coordination Chemistry toward the Transition Metal Ions MnIII, FeIII, CoII, NiII, CuII, and PdII","Inorganic Chemistry","2013","52","","1926","1941","10.1021/ic302150j","","","1.54178","CuKα","","0.0651","0.0609","","","0.1397","0.1415","","","","","","1.272","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333863","16.0336","0.0011","19.2639","0.0013","23.2512","0.0016","90","","101.592","0.001","90","","7035.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C79.75 H58.75 Cl0.75 F10 P5 Pt3 -","- C79.75 H58.75 Cl0.75 F10 P5 Pt3 -","- C319 H235 Cl3 F40 P20 Pt12 -","4","1","","Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Piero Mastrorilli; Vito Gallo; Athanassios Tsipis","Synthesis and Reactivity of the Unsaturated Trinuclear Phosphanido Complex [(C6F5)2Pt(μ-PPh2)2Pt(μ-PPh2)2Pt(PPh3)]","Inorganic Chemistry","2013","52","","1942","1953","10.1021/ic3021639","","","0.71073","MoKα","","0.0529","0.036","","","0.0568","0.0588","","","","","","0.991","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333864","15.5619","0.0016","21.25","0.002","18.164","0.002","90","0.003","91.633","0.003","90","0.003","6004.2","1.1","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C78 H45 Au3 O24 P3 Pt19 -","- C78 H45 Au3 O24 P3 Pt19 -","- C156 H90 Au6 O48 P6 Pt38 -","2","0.5","","Alessandro Ceriotti; Piero Macchi; Annalisa Sironi; Simona El Afefey; Matteo Daghetta; Serena Fedi; Fabrizia Fabrizi de Biani; Roberto Della Pergola","Cooperative Effects of Electron Donors and Acceptors for the Stabilization of Elusive Metal Cluster Frameworks: Synthesis and Solid-State Structures of [Pt19(CO)24(μ4-AuPPh3)3]- and [Pt19(CO)24{μ4-Au2(PPh3)2}2]","Inorganic Chemistry","2013","52","","1960","1964","10.1021/ic302282y","","","0.71069","MoKα","","0.1619","0.0783","","","0.223","0.2389","","","","","","1.043","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333865","16.5865","0.0006","29.9739","0.001","25.4375","0.0009","90","0.001","98.604","0.001","90","0.001","12504.2","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H60 Au4 N0 O24 P4 Pt19 -","- C96 H60 Au4 O24 P4 Pt19 -","- C384 H240 Au16 O96 P16 Pt76 -","4","1","","Alessandro Ceriotti; Piero Macchi; Annalisa Sironi; Simona El Afefey; Matteo Daghetta; Serena Fedi; Fabrizia Fabrizi de Biani; Roberto Della Pergola","Cooperative Effects of Electron Donors and Acceptors for the Stabilization of Elusive Metal Cluster Frameworks: Synthesis and Solid-State Structures of [Pt19(CO)24(μ4-AuPPh3)3]- and [Pt19(CO)24{μ4-Au2(PPh3)2}2]","Inorganic Chemistry","2013","52","","1960","1964","10.1021/ic302282y","","","0.71069","MoKα","","0.1081","0.0731","","","0.1896","0.2052","","","","","","1.059","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333866","9.8713","0.0002","23.4251","0.0005","21.4253","0.0005","90","","97.098","0.001","90","","4916.34","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H55 Au Cl Ir P3 -","- C59 H55 Au Cl Ir P3 -","- C236 H220 Au4 Cl4 Ir4 P12 -","4","1","","Yann Gloaguen; Wesley Jacobs; Bas de Bruin; Martin Lutz; Jarl Ivar van der Vlugt","Reactivity of a Mononuclear Iridium(I) Species Bearing a Terminal Phosphido Fragment Embedded in a Triphosphorus Ligand","Inorganic Chemistry","2013","52","","1682","1684","10.1021/ic302301h","","","0.71073","MoKα","","0.0297","0.0211","","","0.0423","0.0441","","","","","","1.04","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333867","19.598","0.0004","10.5302","0.0003","25.0275","0.0006","90","","117.445","0.001","90","","4583.7","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 Ir P3 -","- C58 H56 Ir P3 -","- C232 H224 Ir4 P12 -","4","1","","Yann Gloaguen; Wesley Jacobs; Bas de Bruin; Martin Lutz; Jarl Ivar van der Vlugt","Reactivity of a Mononuclear Iridium(I) Species Bearing a Terminal Phosphido Fragment Embedded in a Triphosphorus Ligand","Inorganic Chemistry","2013","52","","1682","1684","10.1021/ic302301h","","","0.71073","MoKα","","0.0177","0.0153","","","0.0368","0.0375","","","","","","1.037","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333868","10.4723","0.0009","15.6956","0.0012","16.7572","0.0012","106.925","0.003","99.159","0.002","98.728","0.001","2543.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H61 B Ir P3 -","- C62 H61 B Ir P3 -","- C124 H122 B2 Ir2 P6 -","2","1","","Yann Gloaguen; Wesley Jacobs; Bas de Bruin; Martin Lutz; Jarl Ivar van der Vlugt","Reactivity of a Mononuclear Iridium(I) Species Bearing a Terminal Phosphido Fragment Embedded in a Triphosphorus Ligand","Inorganic Chemistry","2013","52","","1682","1684","10.1021/ic302301h","","","0.71073","MoKα","","0.014","0.0132","","","0.0319","0.0322","","","","","","1.045","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333869","7.944","0.0017","15.105","0.003","9.836","0.002","90","","90","0.003","90","","1180.3","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lanthanum(III) Borate Bromide","","","- B7 Br La O14 -","- B7 Br La O14 -","- B28 Br4 La4 O56 -","4","1","","Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework","Inorganic Chemistry","2013","52","","1965","1975","10.1021/ic302309z","","","0.71073","MoKα","","0.0507","0.0353","","","0.0773","0.083","","","","","","0.958","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333870","8.1507","0.0013","14.874","0.002","9.8671","0.0015","90","","90.085","0.002","90","","1196.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cerium(III) Borate Bromide","","","- B6 Br Ce O13.5 -","- B6 Br Ce O13.5 -","- B24 Br4 Ce4 O54 -","4","1","","Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework","Inorganic Chemistry","2013","52","","1965","1975","10.1021/ic302309z","","","0.71073","MoKα","","0.0388","0.0333","","","0.0807","0.0831","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333871","8.1346","0.0012","14.819","0.002","9.8465","0.0015","90","","90.153","0.002","90","","1187","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Praseodymium(III) Borate Bromide","","","- B6 Br O13.5 Pr -","- B6 Br O13.5 Pr -","- B24 Br4 O54 Pr4 -","4","1","","Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework","Inorganic Chemistry","2013","52","","1965","1975","10.1021/ic302309z","","","0.71073","MoKα","","0.0322","0.0262","","","0.0567","0.0591","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333872","30.6651","0.0007","19.7956","0.0004","16.0737","0.0005","90","","90","","90","","9757.3","0.4","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","Neodymium(III) Borate Bromide","","","- B12 Br2 Nd2 O27.5 -","- B12 Br2 Nd2 O27.5 -","- B192 Br32 Nd32 O440 -","16","1","","Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework","Inorganic Chemistry","2013","52","","1965","1975","10.1021/ic302309z","","","0.71073","MoKα","","0.0544","0.0478","","","0.1205","0.1246","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333873","10.508","0.007","6.427","0.004","23.408","0.014","90","","97.585","0.007","90","","1567","1.7","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","Samarium(III) Borate Bromide","","","- B18 Br3 O38 Sm4 -","- B18 Br3 O38 Sm4 -","- B36 Br6 O76 Sm8 -","2","0.5","","Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework","Inorganic Chemistry","2013","52","","1965","1975","10.1021/ic302309z","","","0.71073","MoKα","","0.0503","0.0319","","","0.063","0.0684","","","","","","1.029","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333874","8.178","0.002","17.251","0.005","9.849","0.003","90","","90","0.004","90","","1389.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Lanthanum(III) Borate Iodide","","","- B7 I La O15 -","- B7 I La O15 -","- B28 I4 La4 O60 -","4","1","","Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework","Inorganic Chemistry","2013","52","","1965","1975","10.1021/ic302309z","","","0.71073","MoKα","","0.0644","0.0547","","","0.1427","0.1474","","","","","","1.109","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333875","8.1641","0.0016","17.205","0.004","9.816","0.002","90","","90","0.006","90","","1378.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Cerium(III) Borate Iodide","","","- B7 Ce I O15 -","- B7 Ce I O15 -","- B28 Ce4 I4 O60 -","4","1","","Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework","Inorganic Chemistry","2013","52","","1965","1975","10.1021/ic302309z","","","0.71073","MoKα","","0.0819","0.0472","","","0.0963","0.1031","","","","","","0.879","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333876","8.1504","0.0016","17.205","0.004","9.814","0.002","90","","90","0.0009","90","","1376.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Praseodymium(III) Borate Iodide","","","- B7 I O15 Pr -","- B7 I O15 Pr -","- B28 I4 O60 Pr4 -","4","1","","Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework","Inorganic Chemistry","2013","52","","1965","1975","10.1021/ic302309z","","","0.71073","MoKα","","0.0808","0.0466","","","0.0933","0.0999","","","","","","0.873","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333877","8.1464","0.0011","17.199","0.002","9.7935","0.0013","90","","90","0.0007","90","","1372.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Neodymium(III) Borate Iodide","","","- B7 I Nd O15 -","- B7 I Nd O15 -","- B28 I4 Nd4 O60 -","4","1","","Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework","Inorganic Chemistry","2013","52","","1965","1975","10.1021/ic302309z","","","0.71073","MoKα","","0.0628","0.0517","","","0.1291","0.1331","","","","","","0.999","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333878","8.102","0.004","17.158","0.007","9.733","0.004","90","","90","0.004","90","","1353","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Samarium(III) Borate Iodide","","","- B7 I O15 Sm -","- B7 I O15 Sm -","- B28 I4 O60 Sm4 -","4","1","","Matthew J. Polinski; Evgeny V. Alekseev; Victoria R. Darling; Justin N. Cross; Wulf Depmeier; Thomas E. Albrecht-Schmitt","A New Family of Lanthanide Borate Halides with Unusual Coordination and a New Neodymium-Containing Cationic Framework","Inorganic Chemistry","2013","52","","1965","1975","10.1021/ic302309z","","","0.71073","MoKα","","0.0543","0.0353","","","0.0827","0.0921","","","","","","0.628","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333879","7.4088","0.0015","12.268","0.003","34.974","0.007","90","","96.04","0.03","90","","3161.2","1.2","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Fe Ge3 K2 Se8 -","- Fe Ge3 K2 Se8 -","- Fe8 Ge24 K16 Se64 -","8","4","","Kai Feng; Wendong Wang; Ran He; Lei Kang; Wenlong Yin; Zheshuai Lin; Jiyong Yao; Youguo Shi; Yicheng Wu","K2FeGe3Se8: A New Antiferromagnetic Iron Selenide","Inorganic Chemistry","2013","52","","2022","2028","10.1021/ic302394e","","","0.71073","MoKα","","0.1169","0.0799","","","0.1788","0.203","","","","","","0.999","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333880","22.1884","0.0016","11.7359","0.0009","25.096","0.002","90","","97.377","0.002","90","","6480.9","0.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H64 N4 O2 P2 Si4 Ta2 -","- C49 H64 N4 O2 P2 Si4 Ta2 -","- C196 H256 N16 O8 P8 Si16 Ta8 -","4","0.5","","Joachim Ballmann; Fraser Pick; Ludovic Castro; Michael D. Fryzuk; Laurent Maron","Reduction of Carbon Dioxide Promoted by a Dinuclear Tantalum Tetrahydride Complex","Inorganic Chemistry","2013","52","","1685","1687","10.1021/ic302438f","","","0.71073","MoKα","","0.0737","0.0519","","","0.1245","0.1328","","","","","","0.966","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333881","13.495","0.006","14.299","0.007","24.239","0.01","90","","90","","90","","4677","4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H65 B2 N P2 -","- C54 H65 B2 N P2 -","- C216 H260 B8 N4 P8 -","4","1","","Nora Grüger; Lara-Isabel Rodríguez; Hubert Wadepohl; Lutz H. Gade","Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals","Inorganic Chemistry","2013","52","","2050","2059","10.1021/ic302454n","","x-ray","0.71073","MoKα","","0.0711","0.0471","","","0.097","0.1081","","","","","","1.011","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333882","12.7237","0.0004","13.9205","0.0005","14.7922","0.0004","63.244","0.003","75.697","0.003","68.328","0.003","2163.78","0.14","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C50 H54 Cl N O P2 Pd -","- C50 H54 Cl N O P2 Pd -","- C100 H108 Cl2 N2 O2 P4 Pd2 -","2","1","","Nora Grüger; Lara-Isabel Rodríguez; Hubert Wadepohl; Lutz H. Gade","Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals","Inorganic Chemistry","2013","52","","2050","2059","10.1021/ic302454n","","x-ray","1.5418","CuKα","","0.0366","0.0309","","","0.0742","0.077","","","","","","1.02","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333883","12.8435","0.0011","13.5446","0.0011","15.6628","0.0013","97.951","0.002","99.082","0.002","111.574","0.001","2444.2","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H46 Cl10 D3 N Ni P2 -","- C47 H46 Cl4 D N Ni P2 -","- C94 H92 Cl8 D2 N2 Ni2 P4 -","2","1","","Nora Grüger; Lara-Isabel Rodríguez; Hubert Wadepohl; Lutz H. Gade","Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals","Inorganic Chemistry","2013","52","","2050","2059","10.1021/ic302454n","","x-ray","0.71073","MoKα","","0.0773","0.0518","","","0.1268","0.1375","","","","","","1.033","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333884","12.639","0.006","14.01","0.007","14.816","0.008","62.554","0.011","76.346","0.01","68.73","0.013","2162.1","1.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H47 Br Cl3 N Ni P2 -","- C47 H47 Br Cl3 N Ni P2 -","- C94 H94 Br2 Cl6 N2 Ni2 P4 -","2","1","","Nora Grüger; Lara-Isabel Rodríguez; Hubert Wadepohl; Lutz H. Gade","Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals","Inorganic Chemistry","2013","52","","2050","2059","10.1021/ic302454n","","x-ray","0.71073","MoKα","","0.085","0.0515","","","0.1071","0.1213","","","","","","1.017","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333885","13.3657","0.0008","14.1839","0.0012","14.3602","0.0011","116.303","0.008","106.596","0.006","96.028","0.006","2252.3","0.4","120","0.2","120","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H60 N Ni O P2 -","- C46 H47 N Ni P2 -","- C92 H94 N2 Ni2 P4 -","2","1","","Nora Grüger; Lara-Isabel Rodríguez; Hubert Wadepohl; Lutz H. Gade","Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals","Inorganic Chemistry","2013","52","","2050","2059","10.1021/ic302454n","","x-ray","1.5418","CuKα","","0.0554","0.0525","","","0.1506","0.154","","","","","","1.079","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333886","12.603","0.006","12.885","0.005","14.088","0.006","109.973","0.008","112.326","0.016","92.626","0.006","1948","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H46 N O P2 Rh -","- C47 H46 N O P2 Rh -","- C94 H92 N2 O2 P4 Rh2 -","2","1","","Nora Grüger; Lara-Isabel Rodríguez; Hubert Wadepohl; Lutz H. Gade","Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals","Inorganic Chemistry","2013","52","","2050","2059","10.1021/ic302454n","","x-ray","0.71073","MoKα","","0.0458","0.0333","","","0.0745","0.081","","","","","","1.028","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333887","10.0831","0.0007","20.009","0.0011","25.1315","0.0011","90","","90","","90","","5070.3","0.5","120.01","0.1","120.01","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C59 H70 Br N Ni P2 -","- C59 H70 Br N Ni P2 -","- C236 H280 Br4 N4 Ni4 P8 -","4","1","","Nora Grüger; Lara-Isabel Rodríguez; Hubert Wadepohl; Lutz H. Gade","Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals","Inorganic Chemistry","2013","52","","2050","2059","10.1021/ic302454n","","x-ray","1.5418","CuKα","","0.0463","0.0426","","","0.1108","0.1153","","","","","","1.029","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333888","10.132","0.0002","19.6549","0.0004","13.9636","0.0004","90","","108.054","0.002","90","","2643.85","0.11","99.9","0.4","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C61 H73 N Ni O2 P2 -","- C61 H73 N Ni O2 P2 -","- C122 H146 N2 Ni2 O4 P4 -","2","1","","Nora Grüger; Lara-Isabel Rodríguez; Hubert Wadepohl; Lutz H. Gade","Achiral and Chiral PNP-Pincer Ligands with a Carbazole Backbone: Coordination Chemistry with d8 Transition Metals","Inorganic Chemistry","2013","52","","2050","2059","10.1021/ic302454n","","x-ray","1.5418","CuKα","","0.028","0.0274","","","0.0706","0.0712","","","","","","1.029","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333889","10.6869","0.0013","8.3588","0.0009","26.656","0.004","90","","92.075","0.004","90","","2379.6","0.5","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H16 Cl N3 O6 U -","- C27 H16 Cl N3 O6 U -","- C108 H64 Cl4 N12 O24 U4 -","4","1","","Sonia G. Thangavelu; Michael B. Andrews; Simon J.A. Pope; Christopher L. Cahill","Synthesis, Structures, and Luminescent Properties of Uranyl Terpyridine Aromatic Carboxylate Coordination Polymers","Inorganic Chemistry","2013","52","","2060","2069","10.1021/ic3024698","","","0.71073","MoKα","","0.0606","0.0421","","","0.1025","0.1329","","","","","","1.026","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333890","9.5824","0.0003","13.5216","0.0005","16.2164","0.0005","90","","102.032","0.001","90","","2054.99","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 N3 O6 S U -","- C21 H13 N3 O6 S U -","- C84 H52 N12 O24 S4 U4 -","4","1","","Sonia G. Thangavelu; Michael B. Andrews; Simon J.A. Pope; Christopher L. Cahill","Synthesis, Structures, and Luminescent Properties of Uranyl Terpyridine Aromatic Carboxylate Coordination Polymers","Inorganic Chemistry","2013","52","","2060","2069","10.1021/ic3024698","","","0.71073","MoKα","","0.0406","0.0359","","","0.089","0.0925","","","","","","0.985","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333891","11.0786","0.0016","12.12","0.0018","16.164","0.002","90","","97.958","0.002","90","","2149.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 Cl N3 O7 S U -","- C21 H14 Cl N3 O7 S U -","- C84 H56 Cl4 N12 O28 S4 U4 -","4","1","","Sonia G. Thangavelu; Michael B. Andrews; Simon J.A. Pope; Christopher L. Cahill","Synthesis, Structures, and Luminescent Properties of Uranyl Terpyridine Aromatic Carboxylate Coordination Polymers","Inorganic Chemistry","2013","52","","2060","2069","10.1021/ic3024698","","","0.71073","MoKα","","0.0503","0.0405","","","0.1012","0.1089","","","","","","1.049","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333892","13.011","0.005","15.901","0.005","11.739","0.005","90","","118.035","0.005","90","","2143.7","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 N3 O6 U -","- C23 H15 N3 O6 U -","- C92 H60 N12 O24 U4 -","4","0.5","","Sonia G. Thangavelu; Michael B. Andrews; Simon J.A. Pope; Christopher L. Cahill","Synthesis, Structures, and Luminescent Properties of Uranyl Terpyridine Aromatic Carboxylate Coordination Polymers","Inorganic Chemistry","2013","52","","2060","2069","10.1021/ic3024698","","","0.71073","MoKα","","0.0235","0.0208","","","0.0509","0.0523","","","","","","0.913","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333893","12.486","0.003","14.736","0.003","12.268","0.003","90","","113.494","0.002","90","","2070.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 Cl N3 O6 U -","- C23 H14 Cl N3 O6 U -","- C92 H56 Cl4 N12 O24 U4 -","4","0.5","","Sonia G. Thangavelu; Michael B. Andrews; Simon J.A. Pope; Christopher L. Cahill","Synthesis, Structures, and Luminescent Properties of Uranyl Terpyridine Aromatic Carboxylate Coordination Polymers","Inorganic Chemistry","2013","52","","2060","2069","10.1021/ic3024698","","","0.71073","MoKα","","0.0308","0.0251","","","0.05","0.0516","","","","","","1.055","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333894","8.9758","0.0007","11.3079","0.0008","12.2348","0.0009","78.455","0.001","81.245","0.001","67.119","0.001","1117.13","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H17 N3 O6 U -","- C27 H17 N3 O6 U -","- C54 H34 N6 O12 U2 -","2","1","","Sonia G. Thangavelu; Michael B. Andrews; Simon J.A. Pope; Christopher L. Cahill","Synthesis, Structures, and Luminescent Properties of Uranyl Terpyridine Aromatic Carboxylate Coordination Polymers","Inorganic Chemistry","2013","52","","2060","2069","10.1021/ic3024698","","","0.71073","MoKα","","0.0405","0.0351","","","0.083","0.0859","","","","","","0.988","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333895","15.152","0.004","4.2463","0.0008","9.992","0.002","90","","130.9","0.02","90","","485.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Au Ce2 O P2 -","- Au Ce2 O P2 -","- Au4 Ce8 O4 P8 -","4","0.5","","Timo Bartsch; Thomas Wiegand; Jinjun Ren; Hellmut Eckert; Dirk Johrendt; Oliver Niehaus; Matthias Eul; Rainer Pöttgen","Phosphide Oxides RE2AuP2O (RE= La, Ce, Pr, Nd): Synthesis, Structure, Chemical Bonding, Magnetism, and 31P and 139La Solid State NMR","Inorganic Chemistry","2013","52","","2094","2102","10.1021/ic302475u","","","0.71073","MoKα","","0.0246","0.0209","","","0.0402","0.041","","","","","","1.021","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333896","15.036","0.004","4.2277","0.0008","9.93","0.002","90","","130.88","0.02","90","","477.3","0.2","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Au O P2 Pr2 -","- Au O P2 Pr2 -","- Au4 O4 P8 Pr8 -","4","0.5","","Timo Bartsch; Thomas Wiegand; Jinjun Ren; Hellmut Eckert; Dirk Johrendt; Oliver Niehaus; Matthias Eul; Rainer Pöttgen","Phosphide Oxides RE2AuP2O (RE= La, Ce, Pr, Nd): Synthesis, Structure, Chemical Bonding, Magnetism, and 31P and 139La Solid State NMR","Inorganic Chemistry","2013","52","","2094","2102","10.1021/ic302475u","","","0.71073","MoKα","","0.05","0.0257","","","0.0372","0.0401","","","","","","0.811","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333897","15.0187","0.0005","4.2085","0.0005","9.903","0.003","90","","131.12","0.01","90","","471.54","0.17","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Au Nd2 O P2 -","- Au Nd2 O P2 -","- Au4 Nd8 O4 P8 -","4","0.5","","Timo Bartsch; Thomas Wiegand; Jinjun Ren; Hellmut Eckert; Dirk Johrendt; Oliver Niehaus; Matthias Eul; Rainer Pöttgen","Phosphide Oxides RE2AuP2O (RE= La, Ce, Pr, Nd): Synthesis, Structure, Chemical Bonding, Magnetism, and 31P and 139La Solid State NMR","Inorganic Chemistry","2013","52","","2094","2102","10.1021/ic302475u","","","0.71359","","","0.0869","0.0379","","","0.0813","0.0944","","","","","","0.739","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333898","22.681","0.002","22.681","0.002","12.7768","0.0012","90","","90","","120","","5692.2","0.9","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H85 Ag7 O12 P6 Se12 -","- C36 H85 Ag7 O12 P6 Se12 -","- C108 H255 Ag21 O36 P18 Se36 -","3","0.166667","","C. W. Liu; Yan-Ru Lin; Ching-Shiang Fang; Camille Latouche; Samia Kahlal; Jean-Yves Saillard","[Ag7(H){E2P(OR)2}6] (E = Se, S): Precursors for the Fabrication of Silver Nanoparticles","Inorganic Chemistry","2013","52","","2070","2077","10.1021/ic302482p","","","0.71073","MoKα","","0.0737","0.0456","","","0.1161","0.1296","","","","","","1.103","","","","has coordinates","179441","2020-10-21","18:00:00",""
"4333899","21.087","0.003","21.087","0.003","11.6295","0.0016","90","","90","","120","","4478.4","1.1","253","2","253","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H61 Ag7 O12 P6 S12 -","- C24 H61 Ag7 O12 P6 S12 -","- C72 H183 Ag21 O36 P18 S36 -","3","0.166667","","C. W. Liu; Yan-Ru Lin; Ching-Shiang Fang; Camille Latouche; Samia Kahlal; Jean-Yves Saillard","[Ag7(H){E2P(OR)2}6] (E = Se, S): Precursors for the Fabrication of Silver Nanoparticles","Inorganic Chemistry","2013","52","","2070","2077","10.1021/ic302482p","","","0.71073","MoKα","","0.0868","0.0605","","","0.1504","0.1733","","","","","","1.043","","","","has coordinates,has disorder","179441","2020-10-21","18:00:00",""
"4333900","22.93317","0.00021","17.800426","0.000057","5.73241","0.000058","90","","90","","90","","2340.09","0.03","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- La2 O2 Se2 Zn -","- La2 O2 Se2 Zn -","- La32 O32 Se32 Zn16 -","16","","","Andrew J. Tuxworth; Emma E. McCabe; David G. Free; Stewart J. Clark; John S. O. Evans","Structural Characterization and Physical Properties of the New Transition Metal Oxyselenide La2O2ZnSe2","Inorganic Chemistry","2013","52","","2078","2085","10.1021/ic302484x","","","","","","","","","","","","","","","","","","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333901","12.5563","0.0003","12.5563","0.0003","48.8146","0.0012","90","","90","","90","","7696.1","0.3","100","2","100","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C34 H30 F12 N4 O2 P2 Ru S2 -","- C34 H30 F12 N4 O2 P2 Ru S2 -","- C272 H240 F96 N32 O16 P16 Ru8 S16 -","8","1","","Albert W. King; Yuhuan Jin; James T. Engle; Christopher J. Ziegler; Jeffrey J. Rack","Sequential Picosecond Isomerizations in a Photochromic Ruthenium Sulfoxide Complex Triggered by Pump-Repump-Probe Spectroscopy","Inorganic Chemistry","2013","52","","2086","2093","10.1021/ic302489a","","","1.54178","CuKα","","0.0574","0.0569","","","0.1505","0.1509","","","","","","0.858","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333902","12.3925","0.0018","16.798","0.003","17.277","0.003","89.391","0.002","81.72","0.002","89.849","0.002","3558.8","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H30 F12 N4 P2 Ru S2 -","- C34 H30 F12 N4 P2 Ru S2 -","- C136 H120 F48 N16 P8 Ru4 S8 -","4","2","","Albert W. King; Yuhuan Jin; James T. Engle; Christopher J. Ziegler; Jeffrey J. Rack","Sequential Picosecond Isomerizations in a Photochromic Ruthenium Sulfoxide Complex Triggered by Pump-Repump-Probe Spectroscopy","Inorganic Chemistry","2013","52","","2086","2093","10.1021/ic302489a","","","0.71073","MoKα","","0.1279","0.0851","","","0.2096","0.2432","","","","","","1.048","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333903","11.382","0.002","22.64","0.005","14.297","0.003","90","","106.49","0.03","90","","3532.6","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H46 Dy2 O12 -","- C25 H46 Dy2 O12 -","- C100 H184 Dy8 O48 -","4","1","","Sui-Jun Liu; Jiong-Peng Zhao; Wei-Chao Song; Song-De Han; Zhong-Yi Liu; Xian-He Bu","Slow Magnetic Relaxation in Two New 1D/0D DyIII Complexes with a Sterically Hindered Carboxylate Ligand","Inorganic Chemistry","2013","52","","2103","2109","10.1021/ic302496g","","","0.71073","MoKα","","0.0974","0.0627","","","0.1046","0.1144","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333904","10.321","0.002","11.966","0.002","12.772","0.003","113.06","0.03","99.57","0.03","96.94","0.03","1400.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H70 Dy2 N4 O12 -","- C54 H70 Dy2 N4 O12 -","- C54 H70 Dy2 N4 O12 -","1","0.5","","Sui-Jun Liu; Jiong-Peng Zhao; Wei-Chao Song; Song-De Han; Zhong-Yi Liu; Xian-He Bu","Slow Magnetic Relaxation in Two New 1D/0D DyIII Complexes with a Sterically Hindered Carboxylate Ligand","Inorganic Chemistry","2013","52","","2103","2109","10.1021/ic302496g","","","0.71073","MoKα","","0.0654","0.0608","","","0.1545","0.1587","","","","","","1.114","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333905","19.7206","0.0006","10.6756","0.0003","15.2817","0.0005","90","","107.203","0.0003","90","","3073.32","0.16","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H32 N2 S4 W -","- C35 H32 N2 S4 W -","- C140 H128 N8 S16 W4 -","4","1","","David W. Shaffer; Géza Szigethy; Joseph W. Ziller; Alan F. Heyduk","Synthesis and Characterization of a Redox-Active Bis(thiophenolato)amide Ligand, [SNS]3-, and the Homoleptic Tungsten Complexes, W[SNS]2 and W[ONO]2","Inorganic Chemistry","2013","52","","2110","2118","10.1021/ic302506e","","","0.71073","MoKα","","0.0167","0.0151","","","0.0347","0.0351","","","","","","1.073","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333906","11.6164","0.0007","12.0666","0.0007","20.5721","0.0012","82.7281","0.0006","73.9437","0.0006","76.1399","0.0006","2684.8","0.3","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H80 N2 O4 W -","- C56 H80 N2 O4 W -","- C112 H160 N4 O8 W2 -","2","1","","David W. Shaffer; Géza Szigethy; Joseph W. Ziller; Alan F. Heyduk","Synthesis and Characterization of a Redox-Active Bis(thiophenolato)amide Ligand, [SNS]3-, and the Homoleptic Tungsten Complexes, W[SNS]2 and W[ONO]2","Inorganic Chemistry","2013","52","","2110","2118","10.1021/ic302506e","","","0.71073","MoKα","","0.0228","0.0203","","","0.05","0.0511","","","","","","1.042","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333907","10.9499","0.0016","12.589","0.0019","14.767","0.002","74.333","0.004","84.257","0.004","68.474","0.004","1823.3","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H30 Fe N5 O2 P2 S2 -","- C38 H30 Fe N5 O2 P2 S2 -","- C76 H60 Fe2 N10 O4 P4 S4 -","2","1","","Chung-Hung Hsieh; Scott M. Brothers; Joseph H. Reibenspies; Michael B. Hall; Codrina V. Popescu; Marcetta Y. Darensbourg","Ambidentate Thiocyanate and Cyanate Ligands in Dinitrosyl Iron Complexes","Inorganic Chemistry","2013","52","","2119","2124","10.1021/ic3025149","","","0.71073","MoKα","","0.0396","0.0329","","","0.0955","0.1042","","","","","","1.137","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333908","9.593","0.002","11.728","0.003","16.45","0.003","104.929","0.002","97.21","0.002","92.224","0.002","1769.2","0.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Fe N5 O4 P2 -","- C38 H30 Fe N5 O4 P2 -","- C76 H60 Fe2 N10 O8 P4 -","2","1","","Chung-Hung Hsieh; Scott M. Brothers; Joseph H. Reibenspies; Michael B. Hall; Codrina V. Popescu; Marcetta Y. Darensbourg","Ambidentate Thiocyanate and Cyanate Ligands in Dinitrosyl Iron Complexes","Inorganic Chemistry","2013","52","","2119","2124","10.1021/ic3025149","","","0.71073","MoKα","","0.0483","0.0427","","","0.1037","0.1079","","","","","","1.249","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333909","8.573","0.004","30.458","0.015","18.389","0.009","90","","90.078","0.006","90","","4802","4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H46 Fe N5 O2 P2 S4 -","- C48 H46 Fe N5 O2 P2 S4 -","- C192 H184 Fe4 N20 O8 P8 S16 -","4","1","","Chung-Hung Hsieh; Scott M. Brothers; Joseph H. Reibenspies; Michael B. Hall; Codrina V. Popescu; Marcetta Y. Darensbourg","Ambidentate Thiocyanate and Cyanate Ligands in Dinitrosyl Iron Complexes","Inorganic Chemistry","2013","52","","2119","2124","10.1021/ic3025149","","","0.71073","MoKα","","0.0617","0.0512","","","0.1188","0.1242","","","","","","1.048","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333910","8.0139","0.0007","18.7502","0.0009","25.509","0.002","90","","98.902","0.01","90","","3786.9","0.5","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H59.5 Cl2.5 Cu3 N11 O13 -","- C20 H48 Cl2.5 Cu3 N11 O13 -","- C80 H192 Cl10 Cu12 N44 O52 -","4","1","","Carla Bazzicalupi; Antonio Bianchi; Claudia Giorgi; Paola Gratteri; Palma Mariani; Barbara Valtancoli","Metal Ion Binding by a G-2 Poly(ethylene imine) Dendrimer. Ion-Directed Self-Assembling of Hierarchical Mono- and Two-Dimensional Nanostructured Materials","Inorganic Chemistry","2013","52","","2125","2137","10.1021/ic3025292","","","0.71073","MoKα","","0.0626","0.0478","","","0.0818","0.0871","","","","","","0.858","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333911","8.7877","0.0007","9.3837","0.0008","23.279","0.002","91.827","0.007","99.485","0.007","114.993","0.008","1705","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H108 Cl6 N20 Ni3 O30 -","- C36 H96 Cl6 N20 Ni3 O30 -","- C36 H96 Cl6 N20 Ni3 O30 -","1","0.5","","Carla Bazzicalupi; Antonio Bianchi; Claudia Giorgi; Paola Gratteri; Palma Mariani; Barbara Valtancoli","Metal Ion Binding by a G-2 Poly(ethylene imine) Dendrimer. Ion-Directed Self-Assembling of Hierarchical Mono- and Two-Dimensional Nanostructured Materials","Inorganic Chemistry","2013","52","","2125","2137","10.1021/ic3025292","","","0.71073","MoKα","","0.1822","0.0795","","","0.1777","0.2071","","","","","","0.842","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333912","32.299","0.002","7.3922","0.0005","34.261","0.002","90","","100.218","0.001","90","","8050.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Co4(phenylcinnamate)6(OH)2(H2O)4)2H2O","","","- C90 H80 Co4 O20 -","- C90 H72 Co4 O19.5 -","- C360 H288 Co16 O78 -","4","1","","Yoshimi Oka; Katsuya Inoue; Hitoshi Kumagai; Mohamedally Kurmoo","Long-Range Magnetic Ordering at 5.5 K for Cobalt(II)-Hydroxide Diamond Chains Isolated by 17 Å with α-Phenylcinnamate","Inorganic Chemistry","2013","52","","2142","2149","10.1021/ic302540h","","","0.71073","MoKα","","0.1123","0.0563","","","0.1131","0.127","","","","","","0.853","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333913","10.6826","0.0002","10.663","0.0002","13.3238","0.0003","90","","97.345","0.001","90","","1505.24","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Mo N S4 -","- C14 H13 Mo N S4 -","- C56 H52 Mo4 N4 S16 -","4","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.03","0.0259","","","0.0576","0.0608","","","","","","1.035","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333914","11.3067","0.0014","12.0229","0.0015","12.4471","0.0015","90","","108.624","0.004","90","","1603.4","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Mo N S4 -","- C15 H15 Mo N S4 -","- C60 H60 Mo4 N4 S16 -","4","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.0303","0.0262","","","0.0593","0.0611","","","","","","1.033","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333915","10.7409","0.0002","11.2682","0.0002","13.5349","0.0002","90","","97.538","0.001","90","","1623.98","0.05","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Mo N O S4 -","- C15 H15 Mo N O S4 -","- C60 H60 Mo4 N4 O4 S16 -","4","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.0254","0.0222","","","0.0529","0.0548","","","","","","1.036","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333916","10.888","0.0016","10.7812","0.0015","13.3725","0.0018","90","","98.071","0.005","90","","1554.2","0.4","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Mo N S2 Se2 -","- C14 H13 Mo N S2 Se2 -","- C56 H52 Mo4 N4 S8 Se8 -","4","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.0242","0.021","","","0.0508","0.0524","","","","","","1.031","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333917","6.8982","0.0003","11.104","0.0005","11.2821","0.0005","98.754","0.002","107.099","0.002","96.239","0.002","805.52","0.06","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C15 H15 Mo N S2 Se2 -","- C15 H15 Mo N S2 Se2 -","- C30 H30 Mo2 N2 S4 Se4 -","2","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.0362","0.0294","","","0.0916","0.1036","","","","","","1.202","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333918","7.5847","0.0003","12.8363","0.0004","13.397","0.0005","74.095","0.002","85.672","0.002","86.179","0.002","1249.38","0.08","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C26 H17 Mo N5 S4 -","- C26 H17 Mo N5 S4 -","- C52 H34 Mo2 N10 S8 -","2","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.0495","0.0388","","","0.085","0.091","","","","","","0.872","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333919","7.6898","0.0002","12.7868","0.0004","13.3717","0.0004","73.896","0.001","84.307","0.001","86.008","0.001","1255.77","0.06","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C26 H17 Mo N5 S2 Se2 -","- C26 H17 Mo N5 S2 Se2 -","- C52 H34 Mo2 N10 S4 Se4 -","2","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.039","0.0313","","","0.0686","0.0714","","","","","","1.038","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333920","7.856","0.0008","10.9798","0.0013","15.4149","0.0018","87.393","0.005","88.209","0.005","73.987","0.005","1276.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C27 H19 Mo N5 S4 -","- C27 H19 Mo N5 S4 -","- C54 H38 Mo2 N10 S8 -","2","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.0397","0.033","","","0.0719","0.0754","","","","","","1.031","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333921","7.8882","0.0002","10.999","0.0003","15.332","0.0004","87.625","0.001","88.53","0.001","73.203","0.001","1272.26","0.06","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C27 H19 Mo N5 O S4 -","- C27 H19 Mo N5 O S4 -","- C54 H38 Mo2 N10 O2 S8 -","2","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.049","0.0394","","","0.0854","0.09","","","","","","1.05","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333922","7.9167","0.0003","11.0042","0.0005","15.6348","0.0007","86.582","0.002","87.829","0.002","73.733","0.002","1304.88","0.1","296","2","296","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C27 H19 Mo N5 S2 Se2 -","- C27 H19 Mo N5 S2 Se2 -","- C54 H38 Mo2 N10 S4 Se4 -","2","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.0809","0.0432","","","0.0821","0.0953","","","","","","1.047","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333923","17.0484","0.0011","25.4809","0.0016","13.8577","0.0007","90","","118.125","0.002","90","","5309.1","0.6","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H13 F4 Mo N5 S4 -","- C26 H13 F4 Mo N5 S4 -","- C208 H104 F32 Mo8 N40 S32 -","8","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.0386","0.0314","","","0.0814","0.0848","","","","","","1.052","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333924","16.8122","0.0006","25.6597","0.0009","14.017","0.0004","90","","117.263","0.001","90","","5375.1","0.3","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H13 F4 Mo N5 S2 Se2 -","- C26 H13 F4 Mo N5 S2 Se2 -","- C208 H104 F32 Mo8 N40 S16 Se16 -","8","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.0457","0.0311","","","0.0721","0.0755","","","","","","1.102","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333925","7.5998","0.0003","13.3602","0.0007","16.6712","0.0008","109.574","0.002","93.545","0.002","105.767","0.002","1512.91","0.13","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C27 H15 F4 Mo N5 S4 -","- C27 H15 F4 Mo N5 S4 -","- C54 H30 F8 Mo2 N10 S8 -","2","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.0445","0.0349","","","0.0851","0.0883","","","","","","1.028","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333926","7.6315","0.0002","13.2522","0.0004","16.7904","0.0005","109.449","0.001","93.931","0.001","105.315","0.001","1521.29","0.08","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C27 H15 F4 Mo N5 S2 Se2 -","- C27 H15 F4 Mo N5 S2 Se2 -","- C54 H30 F8 Mo2 N10 S4 Se4 -","2","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.0608","0.0418","","","0.0996","0.1061","","","","","","1.064","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333927","8.3701","0.0002","13.8913","0.0004","22.9983","0.0007","90","","90.35","0.001","90","","2674","0.13","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 F4 Mo N5 O S4 -","- C27 H15 F4 Mo N5 O S4 -","- C108 H60 F16 Mo4 N20 O4 S16 -","4","1","","Talia Bsaibess; Michel Guerro; Yann Le Gal; Daad Sarraf; Nathalie Bellec; Marc Fourmigué; Frédéric Barrière; Vincent Dorcet; Thierry Guizouarn; Thierry Roisnel; Dominique Lorcy","Variable Magnetic Interactions between S = 1/2 Cation Radical Salts of Functionalizable Electron-Rich Dithiolene and Diselenolene Cp2Mo Complexes","Inorganic Chemistry","2013","52","","2162","2173","10.1021/ic3025606","","x-ray","0.71073","MoKα","","0.0393","0.0319","","","0.0741","0.0785","","","","","","1.043","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333928","8.1817","0.0002","31.4893","0.0006","8.2951","0.0002","90","","97.415","0.002","90","","2119.24","0.08","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","[tetrakis(mu-acetato)bis(2,6-diaminopurine-kN7)dirhodium(II)] -dimethylformamide (1/4)","","- C30 H52 N16 O12 Rh2 -","- C30 H52 N16 O12 Rh2 -","- C60 H104 N32 O24 Rh4 -","2","0.5","","Pilar Amo-Ochoa; Óscar Castillo; Ross W. Harrington; Félix Zamora; Andrew Houlton","Substituent and Noncovalent Interaction Effects in the Reactivity of Purine Derivatives with Tetracarboxylato-dirhodium(II) Units. Rationalization of a Rare Binding Mode via N3","Inorganic Chemistry","2013","52","","2174","2181","10.1021/ic302602c","","","1.54178","CuKα","","0.0289","0.0246","","","0.0606","0.0619","","","","","","1.052","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333929","11.4531","0.0005","22.4591","0.0009","8.1567","0.0003","90","","103.393","0.004","90","","2041.06","0.15","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","[tetrakis(mu-acetato)bis(6-chloro-2-aminopurine-kN3)dirhodium(II)]-water (1/16)","","- C18 H52 Cl2 N10 O24 Rh2 -","- C18 H52 Cl2 N10 O24 Rh2 -","- C36 H104 Cl4 N20 O48 Rh4 -","2","0.5","","Pilar Amo-Ochoa; Óscar Castillo; Ross W. Harrington; Félix Zamora; Andrew Houlton","Substituent and Noncovalent Interaction Effects in the Reactivity of Purine Derivatives with Tetracarboxylato-dirhodium(II) Units. Rationalization of a Rare Binding Mode via N3","Inorganic Chemistry","2013","52","","2174","2181","10.1021/ic302602c","","","0.71073","MoKα","","0.0544","0.0402","","","0.0809","0.0845","","","","","","1.143","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333930","8.9815","0.0002","22.5288","0.0005","12.4191","0.0003","90","","108.848","0.001","90","","2378.17","0.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[tetrakis[mu-(trimethylacetato)]bis(6-chloro-2aminopurine-kN3)dirhodium(II)] -dimethylformamide (1/2)""","","- C36 H58 Cl2 N12 O10 Rh2 -","- C36 H58 Cl2 N12 O10 Rh2 -","- C72 H116 Cl4 N24 O20 Rh4 -","2","1","","Pilar Amo-Ochoa; Óscar Castillo; Ross W. Harrington; Félix Zamora; Andrew Houlton","Substituent and Noncovalent Interaction Effects in the Reactivity of Purine Derivatives with Tetracarboxylato-dirhodium(II) Units. Rationalization of a Rare Binding Mode via N3","Inorganic Chemistry","2013","52","","2174","2181","10.1021/ic302602c","","","1.54178","CuKα","","0.0594","0.0467","","","0.1202","0.1387","","","","","","1.255","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333931","9.17","0.01","26.13","0.03","11.528","0.013","90","","96.222","0.016","90","","2746","5","100","","100","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C59 H47 Cl8 N3 O Pt -","- C59 H47 Cl8 N3 O Pt -","- C118 H94 Cl16 N6 O2 Pt2 -","2","0.5","","Zhaoli Xue; Daiki Kuzuhara; Shinya Ikeda; Tetsuo Okujima; Shigeki Mori; Hidemitsu Uno; Hiroko Yamada","Synthesis and Characterization of New Platinum(II) and Platinum(IV) Triphyrin Complexes","Inorganic Chemistry","2013","52","","1688","1690","10.1021/ic302624h","","","0.71075","MoKα","","0.0937","0.0876","","","0.2268","0.2339","","","","","","1.117","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333932","21.669","0.005","24.406","0.006","8.2686","0.0017","90","","90","","90","","4372.9","1.7","110","2","110","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C57 H45 Cl2 N3 O Pt -","- C57 H45 Cl2 N3 O Pt -","- C228 H180 Cl8 N12 O4 Pt4 -","4","0.5","","Zhaoli Xue; Daiki Kuzuhara; Shinya Ikeda; Tetsuo Okujima; Shigeki Mori; Hidemitsu Uno; Hiroko Yamada","Synthesis and Characterization of New Platinum(II) and Platinum(IV) Triphyrin Complexes","Inorganic Chemistry","2013","52","","1688","1690","10.1021/ic302624h","","","0.71075","MoKα","","0.0565","0.0488","","","0.1026","0.1068","","","","","","1.108","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333933","22.2104","0.0005","10.30782","0.00019","22.8883","0.0005","90","","117.983","0.0007","90","","4627.42","0.17","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C119 H88 Cl6 N6 Pt2 -","- C119 H88 Cl6 N6 Pt2 -","- C238 H176 Cl12 N12 Pt4 -","2","0.5","","Zhaoli Xue; Daiki Kuzuhara; Shinya Ikeda; Tetsuo Okujima; Shigeki Mori; Hidemitsu Uno; Hiroko Yamada","Synthesis and Characterization of New Platinum(II) and Platinum(IV) Triphyrin Complexes","Inorganic Chemistry","2013","52","","1688","1690","10.1021/ic302624h","","","0.71075","MoKα","","0.0632","0.0466","","","0.0868","0.0931","","","","","","1.051","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4333934","7.26","0.016","11.77","0.03","13.15","0.03","74.55","0.03","76.47","0.03","76.55","0.03","1035","4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Br2 Cu2 N12 O4 S -","- C16 H20 Br2 Cu2 N12 O4 S -","- C16 H20 Br2 Cu2 N12 O4 S -","1","0.5","","Christopher R. Murdock; Zheng Lu; David M. Jenkins","Effects of Solvation on the Framework of a Breathing Copper MOF Employing a Semirigid Linker","Inorganic Chemistry","2013","52","","2182","2187","10.1021/ic3026304","","","0.71073","MoKα","","0.2125","0.1711","","","0.3766","0.4152","","","","","","1.028","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333935","12.813","0.006","18.557","0.008","7.259","0.003","90","","111.973","0.005","90","","1600.6","1.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Br2 Cu2 N12 O4 S -","- C16 H20 Br2 Cu2 N12 O4 S -","- C32 H40 Br4 Cu4 N24 O8 S2 -","2","0.25","","Christopher R. Murdock; Zheng Lu; David M. Jenkins","Effects of Solvation on the Framework of a Breathing Copper MOF Employing a Semirigid Linker","Inorganic Chemistry","2013","52","","2182","2187","10.1021/ic3026304","","","0.71073","MoKα","","0.1366","0.1148","","","0.3305","0.3534","","","","","","1.465","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333936","18.0351","0.0017","4.662","0.0004","17.1669","0.0016","90","","98.334","0.002","90","","1428.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 F N3 S4 -","- C11 H13 F N3 S4 -","- C44 H52 F4 N12 S16 -","4","1","","Kristina Lekin; Joanne W. L. Wong; Stephen M. Winter; Aaron Mailman; Paul A. Dube; Richard T. Oakley","Bisdithiazolyl Radical Spin Ladders","Inorganic Chemistry","2013","52","","2188","2198","10.1021/ic302658c","","","0.71073","MoKα","","0.0809","0.0413","","","0.0828","0.0978","","","","","","0.999","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333937","15.956","0.0007","15.956","0.0007","4.2769","0.0002","90","","90","","90","","1088.87","0.08","296","2","296","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C8 H7 F N3 S4 -","- C8 H7 F N3 S4 -","- C32 H28 F4 N12 S16 -","4","0.5","","Kristina Lekin; Joanne W. L. Wong; Stephen M. Winter; Aaron Mailman; Paul A. Dube; Richard T. Oakley","Bisdithiazolyl Radical Spin Ladders","Inorganic Chemistry","2013","52","","2188","2198","10.1021/ic302658c","","","0.71073","MoKα","","0.0233","0.0214","","","0.0564","0.0584","","","","","","1.11","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333938","15.6371","0.0012","4.8733","0.0004","17.0938","0.0013","90","","108.62","0.001","90","","1234.44","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FBPBu","","","- C9 H9 F N3 S4 -","- C9 H9 F N3 S4 -","- C36 H36 F4 N12 S16 -","4","1","","Kristina Lekin; Joanne W. L. Wong; Stephen M. Winter; Aaron Mailman; Paul A. Dube; Richard T. Oakley","Bisdithiazolyl Radical Spin Ladders","Inorganic Chemistry","2013","52","","2188","2198","10.1021/ic302658c","","","0.71073","MoKα","","0.0587","0.0394","","","0.0675","0.0783","","","","","","1.103","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333939","20.4143","0.001","4.6091","0.0003","17.0345","0.0009","90","","123.858","0.002","90","","1331","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 F N3 S4 -","- C10 H11 F N3 S4 -","- C40 H44 F4 N12 S16 -","4","1","","Kristina Lekin; Joanne W. L. Wong; Stephen M. Winter; Aaron Mailman; Paul A. Dube; Richard T. Oakley","Bisdithiazolyl Radical Spin Ladders","Inorganic Chemistry","2013","52","","2188","2198","10.1021/ic302658c","","","1.54178","CuKα","","0.0681","0.0456","","","0.1134","0.1256","","","","","","1.039","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333940","5.56293","0.00016","5.56293","0.00016","19.7261","0.0008","90","","90","","90","","610.45","0.04","700","","700","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Bi Cl Fe4 O11 Pb4 -","- Bi Cl Fe4 O11 Pb4 -","- Bi2 Cl2 Fe8 O22 Pb8 -","2","0.125","","Maria Batuk; Dmitry Batuk; Alexander A. Tsirlin; Marina G. Rozova; Evgeny V. Antipov; Joke Hadermann; Gustaaf Van Tendeloo","Homologous Series of Layered Perovskites An+1BnO3n-1Cl: Crystal and Magnetic Structure of a New Oxychloride Pb4BiFe4O11Cl","Inorganic Chemistry","2013","52","","2208","2218","10.1021/ic302667a","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333941","5.5185","0.0001","5.5185","0.0001","19.5205","0.0006","90","","90","","90","","594.47","0.02","1.5","","1.5","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- Bi Cl Fe4 O11 Pb4 -","- Bi Cl Fe4 O11 Pb4 -","- Bi2 Cl2 Fe8 O22 Pb8 -","2","0.25","","Maria Batuk; Dmitry Batuk; Alexander A. Tsirlin; Marina G. Rozova; Evgeny V. Antipov; Joke Hadermann; Gustaaf Van Tendeloo","Homologous Series of Layered Perovskites An+1BnO3n-1Cl: Crystal and Magnetic Structure of a New Oxychloride Pb4BiFe4O11Cl","Inorganic Chemistry","2013","52","","2208","2218","10.1021/ic302667a","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333942","5.53104","0.00011","5.53104","0.00011","19.5858","0.0007","90","","90","","90","","599.18","0.03","300","","300","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- Bi Cl Fe4 O11 Pb4 -","- Bi Cl Fe4 O11 Pb4 -","- Bi2 Cl2 Fe8 O22 Pb8 -","2","0.25","","Maria Batuk; Dmitry Batuk; Alexander A. Tsirlin; Marina G. Rozova; Evgeny V. Antipov; Joke Hadermann; Gustaaf Van Tendeloo","Homologous Series of Layered Perovskites An+1BnO3n-1Cl: Crystal and Magnetic Structure of a New Oxychloride Pb4BiFe4O11Cl","Inorganic Chemistry","2013","52","","2208","2218","10.1021/ic302667a","powder diffraction","neutron","1.8857","neutron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333943","6.4556","0.0005","7.9032","0.0006","12.7572","0.0009","75.295","0.001","85.231","0.001","68.82","0.001","587","0.08","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Mn Na2 O28 U2 -","- C12 H8 Mn Na2 O28 U2 -","- C12 H8 Mn Na2 O28 U2 -","1","0.5","","Jeongho Yeon; Mark D. Smith; Athena S. Sefat; Hans-Conrad zur Loye","Crystal Growth, Structural Characterization, and Magnetic Properties of New Uranium(IV) Containing Mixed Metal Oxalates: Na2U2M(C2O4)6(H2O)4 (M = Mn2+, Fe2+, Co2+, and Zn2+)","Inorganic Chemistry","2013","52","","2199","2207","10.1021/ic3026733","","","0.71073","MoKα","","0.0345","0.0318","","","0.0647","0.0657","","","","","","1.02","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333944","6.4504","0.0007","7.8759","0.0008","12.7802","0.0013","75.622","0.002","85.269","0.002","68.674","0.002","585.85","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Fe Na2 O28 U2 -","- C12 H8 Fe Na2 O28 U2 -","- C12 H8 Fe Na2 O28 U2 -","1","0.5","","Jeongho Yeon; Mark D. Smith; Athena S. Sefat; Hans-Conrad zur Loye","Crystal Growth, Structural Characterization, and Magnetic Properties of New Uranium(IV) Containing Mixed Metal Oxalates: Na2U2M(C2O4)6(H2O)4 (M = Mn2+, Fe2+, Co2+, and Zn2+)","Inorganic Chemistry","2013","52","","2199","2207","10.1021/ic3026733","","","0.71073","MoKα","","0.0339","0.03","","","0.0584","0.0593","","","","","","0.974","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333945","6.4419","0.0001","7.8595","0.0001","12.778","0.0002","75.735","0.001","85.286","0.001","68.464","0.001","583.206","0.016","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Co Na2 O28 U2 -","- C12 H8 Co Na2 O28 U2 -","- C12 H8 Co Na2 O28 U2 -","1","0.5","","Jeongho Yeon; Mark D. Smith; Athena S. Sefat; Hans-Conrad zur Loye","Crystal Growth, Structural Characterization, and Magnetic Properties of New Uranium(IV) Containing Mixed Metal Oxalates: Na2U2M(C2O4)6(H2O)4 (M = Mn2+, Fe2+, Co2+, and Zn2+)","Inorganic Chemistry","2013","52","","2199","2207","10.1021/ic3026733","","","0.71073","MoKα","","0.0367","0.032","","","0.0686","0.0706","","","","","","1.018","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333946","6.4418","0.0002","7.8671","0.0002","12.8053","0.0004","75.622","0.001","85.185","0.001","68.435","0.001","584.6","0.03","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Na2 O28 U2 Zn -","- C12 H8 Na2 O28 U2 Zn -","- C12 H8 Na2 O28 U2 Zn -","1","0.5","","Jeongho Yeon; Mark D. Smith; Athena S. Sefat; Hans-Conrad zur Loye","Crystal Growth, Structural Characterization, and Magnetic Properties of New Uranium(IV) Containing Mixed Metal Oxalates: Na2U2M(C2O4)6(H2O)4 (M = Mn2+, Fe2+, Co2+, and Zn2+)","Inorganic Chemistry","2013","52","","2199","2207","10.1021/ic3026733","","","0.71073","MoKα","","0.0265","0.0242","","","0.054","0.0552","","","","","","1.045","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333947","8.6529","0.0004","8.6529","0.0004","5.1545","0.0003","90","","90","","90","","385.93","0.03","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Cu4 Ga8 Yb -","- Cu4 Ga8 Yb -","- Cu8 Ga16 Yb2 -","2","0.0625","","Udumula Subbarao; Matthias J. Gutmann; Sebastian C. Peter","New Structure Type in the Mixed-Valent Compound YbCu4Ga8","Inorganic Chemistry","2013","52","","2219","2227","10.1021/ic302688n","","","0.71073","MoKα","","0.025","0.0241","","","0.0637","0.064","","","","","","1.191","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333948","8.6529","0.0004","8.6529","0.0004","15.465","0.001","90","","90","","90","","1157.91","0.11","296","2","296","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Cu4 Ga8 Yb -","- Cu4 Ga8 Yb -","- Cu24 Ga48 Yb6 -","6","0.1875","","Udumula Subbarao; Matthias J. Gutmann; Sebastian C. Peter","New Structure Type in the Mixed-Valent Compound YbCu4Ga8","Inorganic Chemistry","2013","52","","2219","2227","10.1021/ic302688n","","","0.71073","MoKα","","0.0742","0.0421","","","0.136","0.1624","","","","","","1.083","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333949","8.6","0.003","8.6","0.003","15.342","0.006","90","","90","","90","","1134.7","0.7","50","2","50","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Cu4 Ga8 Yb -","- Cu4 Ga8 Yb -","- Cu24 Ga48 Yb6 -","6","0.1875","","Udumula Subbarao; Matthias J. Gutmann; Sebastian C. Peter","New Structure Type in the Mixed-Valent Compound YbCu4Ga8","Inorganic Chemistry","2013","52","","2219","2227","10.1021/ic302688n","","neutron","","neutron","","0.0663","0.0591","","","0.1419","0.1483","","","","","","1.049","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333950","17.004","0.002","10.08","0.0012","18.153","0.002","90","","109.344","0.001","90","","2935.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[HB(3,4,5-(CF3)3Pz)]Ag(C2H4)","","","- C20 H5 Ag B F27 N6 -","- C20 H5 Ag B F27 N6 -","- C80 H20 Ag4 B4 F108 N24 -","4","1","","Naleen B. Jayaratna; Igor I. Gerus; Roman V. Mironets; Pavel K. Mykhailiuk; Muhammed Yousufuddin; H. V. Rasika Dias","Silver(I) and Copper(I) Adducts of a Tris(pyrazolyl)borate Decorated with Nine Trifluoromethyl Groups","Inorganic Chemistry","2013","52","","1691","1693","10.1021/ic302715d","","","0.71073","MoKα","","0.0661","0.055","","","0.1272","0.1339","","","","","","1.085","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333951","17.0197","0.0018","9.8122","0.0011","17.9575","0.0019","90","","108.692","0.001","90","","2840.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[HB(3,4,5-(CF3)3Pz)]Ag(CO)","","","- C19 H Ag B F27 N6 O -","- C19 H Ag B F27 N6 O -","- C76 H4 Ag4 B4 F108 N24 O4 -","4","1","","Naleen B. Jayaratna; Igor I. Gerus; Roman V. Mironets; Pavel K. Mykhailiuk; Muhammed Yousufuddin; H. V. Rasika Dias","Silver(I) and Copper(I) Adducts of a Tris(pyrazolyl)borate Decorated with Nine Trifluoromethyl Groups","Inorganic Chemistry","2013","52","","1691","1693","10.1021/ic302715d","","","0.71073","MoKα","","0.044","0.0352","","","0.088","0.0923","","","","","","1.055","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333952","13.7748","0.0014","14.105","0.002","21.909","0.004","101.796","0.01","98.28","0.012","115.563","0.01","3626.7","1","100","","100","2","","","","","","","tetrahydrofuran,diethylether","6","P -1","-P 1","2","","","","- C74 H112 N6 Na O5 Ta -","- C74 H112 N6 Na O5 Ta -","- C148 H224 N12 Na2 O10 Ta2 -","2","1","","Amanda C. Bowman; Jason England; Stephen Sproules; Thomas Weyhermüller; Karl Wieghardt","Electronic Structures of Homoleptic [Tris(2,2'-bipyridine)M]n Complexes of the Early Transition Metals (M = Sc, Y, Ti, Zr, Hf, V, Nb, Ta; n= 1+, 0, 1-, 2-, 3-): An Experimental and Density Functional Theoretical Study","Inorganic Chemistry","2013","52","","2242","2256","10.1021/ic302799s","","","0.71073","MoKα","","0.0778","0.0651","","","0.1618","0.1757","","","","","","1.044","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333953","13.553","0.002","13.841","0.002","15.598","0.003","103.22","0.01","102.29","0.01","117.51","0.01","2348.2","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H42 Cu2 I2 N3 P3 -","- C51 H42 Cu2 I2 N3 P3 -","- C102 H84 Cu4 I4 N6 P6 -","2","1","","Daniel M. Zink; Michael Bächle; Thomas Baumann; Martin Nieger; Michael Kühn; Cong Wang; Wim Klopper; Uwe Monkowius; Thomas Hofbeck; Hartmut Yersin; Stefan Bräse","Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties","Inorganic Chemistry","2013","52","","2292","2305","10.1021/ic300979c","","","0.71073","MoKα","","0.0271","0.0212","","","0.0508","0.0538","","","","","","1.097","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333954","11.447","0.001","14.639","0.001","17.762","0.001","66.37","0.01","89.84","0.01","86.22","0.01","2720","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H57 Cu2 I2 N6 P3 -","- C57 H57 Cu2 I2 N6 P3 -","- C114 H114 Cu4 I4 N12 P6 -","2","1","","Daniel M. Zink; Michael Bächle; Thomas Baumann; Martin Nieger; Michael Kühn; Cong Wang; Wim Klopper; Uwe Monkowius; Thomas Hofbeck; Hartmut Yersin; Stefan Bräse","Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties","Inorganic Chemistry","2013","52","","2292","2305","10.1021/ic300979c","","","0.71073","MoKα","","0.0721","0.0497","","","0.1104","0.1203","","","","","","1.032","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333955","11.796","0.001","15.11","0.001","15.77","0.001","79.28","0.01","88.79","0.01","68.11","0.01","2559","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H48 Cu2 I2 N3 P3 -","- C54 H48 Cu2 I2 N3 P3 -","- C108 H96 Cu4 I4 N6 P6 -","2","1","","Daniel M. Zink; Michael Bächle; Thomas Baumann; Martin Nieger; Michael Kühn; Cong Wang; Wim Klopper; Uwe Monkowius; Thomas Hofbeck; Hartmut Yersin; Stefan Bräse","Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties","Inorganic Chemistry","2013","52","","2292","2305","10.1021/ic300979c","","","0.71073","MoKα","","0.0381","0.0248","","","0.0496","0.0536","","","","","","1.04","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333956","11.18","0.001","13.5437","0.0008","19.8739","0.0009","76.919","0.006","85.219","0.005","83.058","0.006","2904.8","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H66 Cu2 I2 N3 P3 -","- C63 H66 Cu2 I2 N3 P3 -","- C126 H132 Cu4 I4 N6 P6 -","2","1","","Daniel M. Zink; Michael Bächle; Thomas Baumann; Martin Nieger; Michael Kühn; Cong Wang; Wim Klopper; Uwe Monkowius; Thomas Hofbeck; Hartmut Yersin; Stefan Bräse","Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties","Inorganic Chemistry","2013","52","","2292","2305","10.1021/ic300979c","","","0.71073","MoKα","","0.1187","0.0681","","","0.148","0.1712","","","","","","1.017","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333957","15.053","0.001","15.658","0.001","15.966","0.001","109.89","0.01","100.83","0.01","98.29","0.01","3386.3","0.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H84 Cu2 I2 N3 P3 -","- C72 H84 Cu2 I2 N3 P3 -","- C144 H168 Cu4 I4 N6 P6 -","2","1","","Daniel M. Zink; Michael Bächle; Thomas Baumann; Martin Nieger; Michael Kühn; Cong Wang; Wim Klopper; Uwe Monkowius; Thomas Hofbeck; Hartmut Yersin; Stefan Bräse","Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties","Inorganic Chemistry","2013","52","","2292","2305","10.1021/ic300979c","","","0.71073","MoKα","","0.0567","0.0344","","","0.0707","0.0789","","","","","","1.02","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333958","13.695","0.001","13.926","0.001","15.881","0.001","102.81","0.01","103.63","0.01","117.41","0.01","2414.1","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H39 Cu2 F3 I2 N3 P3 -","- C51 H39 Cu2 F3 I2 N3 P3 -","- C102 H78 Cu4 F6 I4 N6 P6 -","2","1","","Daniel M. Zink; Michael Bächle; Thomas Baumann; Martin Nieger; Michael Kühn; Cong Wang; Wim Klopper; Uwe Monkowius; Thomas Hofbeck; Hartmut Yersin; Stefan Bräse","Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties","Inorganic Chemistry","2013","52","","2292","2305","10.1021/ic300979c","","","0.71073","MoKα","","0.0426","0.0302","","","0.0666","0.0709","","","","","","1.039","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333959","44.029","0.004","12.136","0.001","22.355","0.002","90","","100.08","0.01","90","","11760.7","1.8","123","2","123","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C65 H52 Cl Cu2 I2 N3 O0.5 P3 -","- C65 H52 Cl Cu2 I2 N3 O0.5 P3 -","- C520 H416 Cl8 Cu16 I16 N24 O4 P24 -","8","1","","Daniel M. Zink; Michael Bächle; Thomas Baumann; Martin Nieger; Michael Kühn; Cong Wang; Wim Klopper; Uwe Monkowius; Thomas Hofbeck; Hartmut Yersin; Stefan Bräse","Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties","Inorganic Chemistry","2013","52","","2292","2305","10.1021/ic300979c","","","0.71073","MoKα","","0.0466","0.0343","","","0.0789","0.0841","","","","","","1.098","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333960","13.563","0.001","20.147","0.002","22.011","0.002","75.01","0.01","76.04","0.01","71.34","0.01","5421.3","0.9","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H42 Cu2 I2 N3 P3 S3 -","- C57 H42 Cu2 I2 N3 P3 S3 -","- C228 H168 Cu8 I8 N12 P12 S12 -","4","2","","Daniel M. Zink; Michael Bächle; Thomas Baumann; Martin Nieger; Michael Kühn; Cong Wang; Wim Klopper; Uwe Monkowius; Thomas Hofbeck; Hartmut Yersin; Stefan Bräse","Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties","Inorganic Chemistry","2013","52","","2292","2305","10.1021/ic300979c","","","0.71073","MoKα","","0.0837","0.0571","","","0.1271","0.139","","","","","","1.068","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333961","11.303","0.001","11.969","0.001","23.117","0.002","99.67","0.01","95.08","0.01","102.08","0.01","2989.8","0.5","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H58 Cu2 I2 N3 O P3 S3 -","- C64 H58 Cu2 I2 N3 O P3 S3 -","- C128 H116 Cu4 I4 N6 O2 P6 S6 -","2","1","","Daniel M. Zink; Michael Bächle; Thomas Baumann; Martin Nieger; Michael Kühn; Cong Wang; Wim Klopper; Uwe Monkowius; Thomas Hofbeck; Hartmut Yersin; Stefan Bräse","Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties","Inorganic Chemistry","2013","52","","2292","2305","10.1021/ic300979c","","","0.71073","MoKα","","0.0833","0.0592","","","0.1411","0.1529","","","","","","1.09","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333962","13.406","0.001","13.569","0.001","15.777","0.001","88.35","0.01","88.66","0.01","60.52","0.01","2497.2","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C54.5 H49 Cl Cu I N3 P3 -","- C54.5 H49 Cl Cu I N3 P3 -","- C109 H98 Cl2 Cu2 I2 N6 P6 -","2","1","","Daniel M. Zink; Michael Bächle; Thomas Baumann; Martin Nieger; Michael Kühn; Cong Wang; Wim Klopper; Uwe Monkowius; Thomas Hofbeck; Hartmut Yersin; Stefan Bräse","Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties","Inorganic Chemistry","2013","52","","2292","2305","10.1021/ic300979c","","","0.71073","MoKα","","0.1025","0.06","","","0.1377","0.1569","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333963","14.1948","0.0019","18.215","0.002","17.388","0.002","90","","98.896","0.004","90","","4441.7","0.9","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H42 Cl2 Cu2 N3 P3 -","- C51 H42 Cl2 Cu2 N3 P3 -","- C204 H168 Cl8 Cu8 N12 P12 -","4","1","","Daniel M. Zink; Michael Bächle; Thomas Baumann; Martin Nieger; Michael Kühn; Cong Wang; Wim Klopper; Uwe Monkowius; Thomas Hofbeck; Hartmut Yersin; Stefan Bräse","Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties","Inorganic Chemistry","2013","52","","2292","2305","10.1021/ic300979c","","","0.71073","MoKα","","0.065","0.0428","","","0.094","0.1029","","","","","","1.022","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333964","16.896","0.002","13.934","0.001","23.45","0.002","90","","105.14","0.01","90","","5329.2","0.9","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H60 Cu I N3 O P3 -","- C59 H60 Cu I N3 O P3 -","- C236 H240 Cu4 I4 N12 O4 P12 -","4","1","","Daniel M. Zink; Michael Bächle; Thomas Baumann; Martin Nieger; Michael Kühn; Cong Wang; Wim Klopper; Uwe Monkowius; Thomas Hofbeck; Hartmut Yersin; Stefan Bräse","Synthesis, Structure, and Characterization of Dinuclear Copper(I) Halide Complexes with P^N Ligands Featuring Exciting Photoluminescence Properties","Inorganic Chemistry","2013","52","","2292","2305","10.1021/ic300979c","","","0.71073","MoKα","","0.1049","0.0562","","","0.093","0.1067","","","","","","1.045","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333965","17.6501","0.0004","17.6501","0.0004","15.1012","0.0007","90","","90","","90","","4704.4","0.3","120","","120","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H68 F4 N2 P4 Pd2 -","- C48 H68 F4 N2 P4 Pd2 -","- C192 H272 F16 N8 P16 Pd8 -","4","0.25","","Justin R. Walensky; Claudia M. Fafard; Chengyun Guo; Christina M. Brammell; Bruce M. Foxman; Michael B. Hall; Oleg V. Ozerov","Understanding Pd-Pd Bond Length Variation in (PNP)Pd-Pd(PNP) Dimers","Inorganic Chemistry","2013","52","","2317","2322","10.1021/ic301629m","","","0.71073","MoKα","","0.0161","0.0148","","0.039","0.0386","0.039","","","","","","0.9899","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4333966","18.5297","0.0007","14.9059","0.0006","21.7591","0.0008","90","","95.8618","0.0017","90","","5978.5","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H100 N2 P4 Pd2 -","- C62 H100 N2 P4 Pd2 -","- C248 H400 N8 P16 Pd8 -","4","1","","Justin R. Walensky; Claudia M. Fafard; Chengyun Guo; Christina M. Brammell; Bruce M. Foxman; Michael B. Hall; Oleg V. Ozerov","Understanding Pd-Pd Bond Length Variation in (PNP)Pd-Pd(PNP) Dimers","Inorganic Chemistry","2013","52","","2317","2322","10.1021/ic301629m","","","0.71073","MoKα","","0.0415","0.0294","","0.0698","0.0669","0.0698","","","","","","0.9882","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333967","10.5","0.0006","15.7795","0.0012","12.9565","0.0007","90","","103.844","0.006","90","","2084.3","0.2","170","2","170","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C28 H61 F6 Mo N O7 P4 S2 -","- C28 H61 F6 Mo N O7 P4 S2 -","- C56 H122 F12 Mo2 N2 O14 P8 S4 -","2","1","","Ameli Dreher; Sven Meyer; Christian Näther; Anne Westphal; Henning Broda; Biprajit Sarkar; Wolfgang Kaim; Philipp Kurz; Felix Tuczek","Reduction and Protonation of Mo(IV) Imido Complexes with depe Coligands: Generation and Reactivity of a S=1/2 Mo(III) Alkylnitrene Intermediate","Inorganic Chemistry","2013","52","","2335","2352","10.1021/ic301828e","","","0.71073","MoKα","","0.0412","0.0374","","","0.0918","0.0934","","","","","","1.085","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333968","22.614","0.002","22.614","0.002","12.854","0.002","90","","90","","90","","6573.4","1.3","293","2","293","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C192 H128 Co8 N16 O32 -","8","1","","Ming-Hua Zeng; Yan-Xi Tan; Yan-Ping He; Zheng Yin; Qing Chen; Mohamedally Kurmoo","A Porous 4-Fold-Interpenetrated Chiral Framework Exhibiting Vapochromism, Single-Crystal-to-Single-Crystal Solvent Exchange, Gas Sorption, and a Poisoning Effect","Inorganic Chemistry","2013","52","","2353","2360","10.1021/ic301857h","","","0.71073","MoKα","","0.1073","0.058","","","0.1148","0.1227","","","","","","0.881","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333969","22.5795","0.0016","22.5795","0.0016","12.8221","0.0019","90","","90","","90","","6537.1","1.2","353","2","353","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C24 H16 Co N2 O4 -","- C24 H16 Co N2 O4 -","- C192 H128 Co8 N16 O32 -","8","1","","Ming-Hua Zeng; Yan-Xi Tan; Yan-Ping He; Zheng Yin; Qing Chen; Mohamedally Kurmoo","A Porous 4-Fold-Interpenetrated Chiral Framework Exhibiting Vapochromism, Single-Crystal-to-Single-Crystal Solvent Exchange, Gas Sorption, and a Poisoning Effect","Inorganic Chemistry","2013","52","","2353","2360","10.1021/ic301857h","","","0.71073","MoKα","","0.0854","0.0537","","","0.1172","0.1373","","","","","","1.068","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333970","22.614","0.0014","22.614","0.0014","12.7315","0.0016","90","","90","","90","","6510.8","1","173","2","173","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C28 H16 Co N2 O8 -","- C28 H16 Co N2 O8 -","- C224 H128 Co8 N16 O64 -","8","1","","Ming-Hua Zeng; Yan-Xi Tan; Yan-Ping He; Zheng Yin; Qing Chen; Mohamedally Kurmoo","A Porous 4-Fold-Interpenetrated Chiral Framework Exhibiting Vapochromism, Single-Crystal-to-Single-Crystal Solvent Exchange, Gas Sorption, and a Poisoning Effect","Inorganic Chemistry","2013","52","","2353","2360","10.1021/ic301857h","","","0.71073","MoKα","","0.1685","0.0945","","","0.2362","0.2909","","","","","","1.002","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333971","22.6904","0.0017","22.6904","0.0017","12.695","0.002","90","","90","","90","","6536.1","1.2","173","2","173","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C29 H16 Co N2 O6.5 -","- C29 H16 Co N2 O6.5 -","- C232 H128 Co8 N16 O52 -","8","1","","Ming-Hua Zeng; Yan-Xi Tan; Yan-Ping He; Zheng Yin; Qing Chen; Mohamedally Kurmoo","A Porous 4-Fold-Interpenetrated Chiral Framework Exhibiting Vapochromism, Single-Crystal-to-Single-Crystal Solvent Exchange, Gas Sorption, and a Poisoning Effect","Inorganic Chemistry","2013","52","","2353","2360","10.1021/ic301857h","","","0.71073","MoKα","","0.1118","0.0779","","","0.206","0.226","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333972","5.5769","0.0004","5.6295","0.0003","5.5771","0.0003","60.3","0.001","60","0.001","60.308","0.001","124.376","0.013","298","2","298","2","","","","","","","","3","P 1","P 1","1","","","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi2 Fe2 O6 -","2","2","","Hui Wang; Chengxu Yang; Jun Lu; Meimei Wu; Jie Su; Kuo Li; Junrong Zhang; Guobao Li; Tounan Jin; Takashi Kamiyama; Fuhui Liao; Jianhua Lin; Yicheng Wu","On the Structure of α-BiFeO3","Inorganic Chemistry","2013","52","","2388","2392","10.1021/ic302047z","","","0.71073","MoKα","","0.0791","0.0614","","","0.1535","0.1642","","","","","","1.001","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333973","20.549","0.002","20.297","0.002","12.5771","0.001","90","","123.039","0.004","90","","4397.5","0.7","90","0.5","90","0.5","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C16 H15 F6 N3 O5 P Re S -","- C16 H15 F6 N3 O5 P Re S -","- C128 H120 F48 N24 O40 P8 Re8 S8 -","8","1","","Theshini Perera; Pramuditha Abhayawardhana; Patricia A. Marzilli; Frank R. Fronczek; Luigi G. Marzilli","Formation of a Metal-to-Nitrogen Bond of Normal Length by a Neutral Sufonamide Group within a Tridentate Ligand. A New Approach to Radiopharmaceutical Bioconjugation","Inorganic Chemistry","2013","52","","2412","2421","10.1021/ic302180t","","","0.71073","MoKα","","0.038","0.026","","","0.052","0.055","","","","","","1.038","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333974","14.353","0.002","15.01","0.002","16.028","0.003","110.298","0.008","115.806","0.007","96.429","0.009","2770.6","0.8","90","0.5","90","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C24 H25 F6 N3 O6 P Re S -","- C24 H23 F6 N3 O6 P Re S -","- C96 H92 F24 N12 O24 P4 Re4 S4 -","4","2","","Theshini Perera; Pramuditha Abhayawardhana; Patricia A. Marzilli; Frank R. Fronczek; Luigi G. Marzilli","Formation of a Metal-to-Nitrogen Bond of Normal Length by a Neutral Sufonamide Group within a Tridentate Ligand. A New Approach to Radiopharmaceutical Bioconjugation","Inorganic Chemistry","2013","52","","2412","2421","10.1021/ic302180t","","","0.71073","MoKα","","0.1008","0.0484","","","0.0905","0.1048","","","","","","1.006","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333975","15.102","0.002","10.4922","0.0015","34.186","0.004","90","","100.598","0.004","90","","5324.5","1.2","200","0.5","200","0.5","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 F6 N3 O5 P Re S -","- C22 H19 F6 N3 O5 P Re S -","- C176 H152 F48 N24 O40 P8 Re8 S8 -","8","1","","Theshini Perera; Pramuditha Abhayawardhana; Patricia A. Marzilli; Frank R. Fronczek; Luigi G. Marzilli","Formation of a Metal-to-Nitrogen Bond of Normal Length by a Neutral Sufonamide Group within a Tridentate Ligand. A New Approach to Radiopharmaceutical Bioconjugation","Inorganic Chemistry","2013","52","","2412","2421","10.1021/ic302180t","","","0.71073","MoKα","","0.035","0.029","","","0.084","0.087","","","","","","1.357","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333976","33.684","0.004","8.1471","0.001","23.635","0.003","90","","97.278","0.006","90","","6433.8","1.4","220","0.5","220","0.5","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C27 H32 B0.93 Br0.07 F3.72 N4 O9 Re S -","- C27 H24 B0.932 Br0.068 F3.752 N4 O9 Re S -","- C216 H192 B7.456 Br0.544 F30.016 N32 O72 Re8 S8 -","8","1","","Theshini Perera; Pramuditha Abhayawardhana; Patricia A. Marzilli; Frank R. Fronczek; Luigi G. Marzilli","Formation of a Metal-to-Nitrogen Bond of Normal Length by a Neutral Sufonamide Group within a Tridentate Ligand. A New Approach to Radiopharmaceutical Bioconjugation","Inorganic Chemistry","2013","52","","2412","2421","10.1021/ic302180t","","","0.71073","MoKα","","0.056","0.037","","","0.082","0.088","","","","","","1.157","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4333977","24.3557","0.0003","24.3557","0.0003","8.4086","0.0002","90","","90","","90","","4987.98","0.15","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H32 B4 Mo2 Se -","- C20 H32 B4 Mo2 Se0.996 -","- C160 H256 B32 Mo16 Se7.968 -","8","1","","Arunabha Thakur; Kiran Kumar Varma Chakrahari; Bijan Mondal; Sundargopal Ghosh","Novel Triple-Decker Sandwich Complex with a Six-Membered [B3Co2(μ4-Te)] Ring as the Middle Deck","Inorganic Chemistry","2013","52","","2262","2264","10.1021/ic3022358","","","0.71073","MoKα","","0.1601","0.0675","","","0.1732","0.217","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4333978","17.9134","0.0003","14.5553","0.0003","11.3323","0.0002","90","","98.348","0.001","90","","2923.42","0.09","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H32.5 B2.5 Co2 Mo2 O5.5 Te -","- C25.5 H32.5 B2.5 Co2 Mo2 O5.5 Te -","- C102 H130 B10 Co8 Mo8 O22 Te4 -","4","1","","Arunabha Thakur; Kiran Kumar Varma Chakrahari; Bijan Mondal; Sundargopal Ghosh","Novel Triple-Decker Sandwich Complex with a Six-Membered [B3Co2(μ4-Te)] Ring as the Middle Deck","Inorganic Chemistry","2013","52","","2262","2264","10.1021/ic3022358","","","0.71073","MoKα","","0.0437","0.0346","","","0.0826","0.0878","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4333979","15.8054","0.0006","12.0035","0.0003","15.7935","0.0007","90","","90","","90","","2996.34","0.19","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H33 B3 Co2 Mo2 O6 S -","- C26 H33 B3 Co2 Mo2 O6 S -","- C104 H132 B12 Co8 Mo8 O24 S4 -","4","1","","Arunabha Thakur; Kiran Kumar Varma Chakrahari; Bijan Mondal; Sundargopal Ghosh","Novel Triple-Decker Sandwich Complex with a Six-Membered [B3Co2(μ4-Te)] Ring as the Middle Deck","Inorganic Chemistry","2013","52","","2262","2264","10.1021/ic3022358","","","0.71073","MoKα","","0.0192","0.0176","","","0.0398","0.0407","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4333980","15.8493","0.0005","12.1257","0.0004","15.9708","0.0005","90","","90","","90","","3069.33","0.17","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H33 B3 Co2 Mo2 O6 Se -","- C26 H33 B3 Co2 Mo2 O6 Se -","- C104 H132 B12 Co8 Mo8 O24 Se4 -","4","1","","Arunabha Thakur; Kiran Kumar Varma Chakrahari; Bijan Mondal; Sundargopal Ghosh","Novel Triple-Decker Sandwich Complex with a Six-Membered [B3Co2(μ4-Te)] Ring as the Middle Deck","Inorganic Chemistry","2013","52","","2262","2264","10.1021/ic3022358","","","0.71073","MoKα","","0.0428","0.0266","","","0.0416","0.0452","","","","","","1.01","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333981","13.9946","0.0011","14.9269","0.0012","22.2577","0.0017","73.586","0.001","76.797","0.001","85.717","0.001","4341.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H100 Cl3 N10 O23 Tb4 -","- C83 H88 Cl3 N10 O23 Tb4 -","- C166 H176 Cl6 N20 O46 Tb8 -","2","1","","Ananda Kumar Jami; Viswanathan Baskar; E. Carolina Sañudo","New Structural Form of a Tetranuclear Lanthanide Hydroxo Cluster: Dy4 Analogue Display Slow Magnetic Relaxation","Inorganic Chemistry","2013","52","","2432","2438","10.1021/ic3022886","","","0.71073","MoKα","","0.0551","0.0458","","","0.1003","0.1046","","","","","","1.05","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333982","13.977","0.003","14.953","0.003","22.227","0.004","73.54","0.003","76.994","0.003","85.783","0.003","4340.5","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H100 Cl3 Dy4 N10 O23 -","- C83 H88 Cl3 Dy4 N10 O23 -","- C166 H176 Cl6 Dy8 N20 O46 -","2","1","","Ananda Kumar Jami; Viswanathan Baskar; E. Carolina Sañudo","New Structural Form of a Tetranuclear Lanthanide Hydroxo Cluster: Dy4 Analogue Display Slow Magnetic Relaxation","Inorganic Chemistry","2013","52","","2432","2438","10.1021/ic3022886","","","0.71073","MoKα","","0.0448","0.0399","","","0.0958","0.0985","","","","","","1.061","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333983","13.9722","0.0017","14.9105","0.0018","22.133","0.003","73.726","0.002","76.97","0.002","85.834","0.002","4312.1","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H100 Cl3 Ho4 N10 O23 -","- C83 H88 Cl3 Ho4 N10 O23 -","- C166 H176 Cl6 Ho8 N20 O46 -","2","1","","Ananda Kumar Jami; Viswanathan Baskar; E. Carolina Sañudo","New Structural Form of a Tetranuclear Lanthanide Hydroxo Cluster: Dy4 Analogue Display Slow Magnetic Relaxation","Inorganic Chemistry","2013","52","","2432","2438","10.1021/ic3022886","","","0.71073","MoKα","","0.0416","0.0373","","","0.0832","0.0852","","","","","","1.079","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333984","9.6496","0.0008","21.3367","0.0019","15.5714","0.0014","90","","92.024","0.002","90","","3204","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Co Si4 -","- C30 H46 Co Si4 -","- C120 H184 Co4 Si16 -","4","1","","Fernando Hung-Low; Christopher A. Bradley","Synthesis of a Bis(indenyl) Co(I) Anion: A Reactive Source of a 14 Electron Indenyl Co(I) Equivalent","Inorganic Chemistry","2013","52","","2446","2457","10.1021/ic302320w","","","0.71073","MoKα","","0.0347","0.028","","","0.0695","0.0733","","","","","","1.033","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333985","11.4225","0.0002","14.8087","0.0003","18.6954","0.0003","70.642","0.001","84.366","0.001","82.92","0.001","2955.29","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H94 Co Na O6 Si4 -","- C54 H94 Co Na O6 Si4 -","- C108 H188 Co2 Na2 O12 Si8 -","2","1","","Fernando Hung-Low; Christopher A. Bradley","Synthesis of a Bis(indenyl) Co(I) Anion: A Reactive Source of a 14 Electron Indenyl Co(I) Equivalent","Inorganic Chemistry","2013","52","","2446","2457","10.1021/ic302320w","","","0.71073","MoKα","","0.1203","0.0586","","","0.1257","0.1554","","","","","","1.067","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333986","8.6849","0.0008","10.1831","0.001","15.6828","0.0015","80.997","0.001","84.276","0.001","78.29","0.001","1338.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H41 Co Si2 -","- C27 H41 Co Si2 -","- C54 H82 Co2 Si4 -","2","1","","Fernando Hung-Low; Christopher A. Bradley","Synthesis of a Bis(indenyl) Co(I) Anion: A Reactive Source of a 14 Electron Indenyl Co(I) Equivalent","Inorganic Chemistry","2013","52","","2446","2457","10.1021/ic302320w","","","0.71073","MoKα","","0.0418","0.0329","","","0.0818","0.0869","","","","","","1.019","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333987","17.216","0.003","17.694","0.003","7.5668","0.0015","90","","90","","90","","2305","0.7","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H32 Co P Si2 -","- C20 H32 Co P Si2 -","- C80 H128 Co4 P4 Si8 -","4","0.5","","Fernando Hung-Low; Christopher A. Bradley","Synthesis of a Bis(indenyl) Co(I) Anion: A Reactive Source of a 14 Electron Indenyl Co(I) Equivalent","Inorganic Chemistry","2013","52","","2446","2457","10.1021/ic302320w","","","0.71073","MoKα","","0.0425","0.0352","","","0.1005","0.1063","","","","","","1.059","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333988","6.725","0.003","17.608","0.008","29.805","0.013","90","","90","","90","","3529","3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H27 Co Si -","- C20 H27 Co Si -","- C160 H216 Co8 Si8 -","8","1","","Fernando Hung-Low; Christopher A. Bradley","Synthesis of a Bis(indenyl) Co(I) Anion: A Reactive Source of a 14 Electron Indenyl Co(I) Equivalent","Inorganic Chemistry","2013","52","","2446","2457","10.1021/ic302320w","","","0.71073","MoKα","","0.0585","0.0378","","","0.0885","0.0988","","","","","","1.031","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333989","10.059","0.003","16.956","0.005","18.599","0.005","97.466","0.004","96.572","0.003","95.421","0.004","3105.4","1.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H41 N2 Na O Si2 -","- C29 H41 N2 Na O Si2 -","- C116 H164 N8 Na4 O4 Si8 -","4","2","","Fernando Hung-Low; Christopher A. Bradley","Synthesis of a Bis(indenyl) Co(I) Anion: A Reactive Source of a 14 Electron Indenyl Co(I) Equivalent","Inorganic Chemistry","2013","52","","2446","2457","10.1021/ic302320w","","","0.71073","MoKα","","0.0781","0.0482","","","0.1123","0.127","","","","","","1.025","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333990","5.3","0.0002","5.3","0.0002","13.9302","0.0008","90","","90","","120","","338.88","0.03","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C2 F K O6 Pb2 -","- C2 F K O6 Pb2 -","- C4 F2 K2 O12 Pb4 -","2","0.0833333","","T. Thao Tran; P. Shiv Halasyamani","New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F3","Inorganic Chemistry","2013","52","","2466","2473","10.1021/ic302357h","","","0.71073","MoKα","","0.0188","0.0187","","","0.0512","0.0513","","","","","","1.34","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333991","5.3123","0.0005","5.3123","0.0005","18.6203","0.0017","90","","90","","120","","455.07","0.07","301","2","301","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C5 F3 K2.7 O15 Pb5.15 -","- C5 F2.98 K2.7 O15 Pb5.15 -","- C5 F2.98 K2.7 O15 Pb5.15 -","1","0.0833333","","T. Thao Tran; P. Shiv Halasyamani","New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F3","Inorganic Chemistry","2013","52","","2466","2473","10.1021/ic302357h","","","0.71073","MoKα","","0.021","0.0207","","","0.0598","0.06","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333992","5.3052","0.0002","5.3052","0.0002","18.5904","0.001","90","","90","","120","","453.13","0.03","295","2","295","2","","","","","","","","5","P -6 m 2","P -6 2","187","","","","- C5 F3 K2.7 O15 Pb5.15 -","- C5 F2.98 K2.7 O15 Pb5.15 -","- C5 F2.98 K2.7 O15 Pb5.15 -","1","0.0833333","","T. Thao Tran; P. Shiv Halasyamani","New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F3","Inorganic Chemistry","2013","52","","2466","2473","10.1021/ic302357h","","","0.71073","MoKα","","0.0169","0.0169","","","0.0478","0.0478","","","","","","1.186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4333993","19.707","0.003","19.707","0.003","15.51","0.003","90","","90","","90","","6023.6","1.7","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C21 H34 N8 O14 Zn -","- C21 H18 N8 O14 Zn -","- C168 H144 N64 O112 Zn8 -","8","0.5","","Jong Won Shin; Jeong Mi Bae; Cheal Kim; Kil Sik Min","Three-Dimensional Zinc(II) and Cadmium(II) Coordination Frameworks with N,N,N',N'-Tetrakis(pyridin-4-yl)methanediamine: Structure, Photoluminescence, and Catalysis","Inorganic Chemistry","2013","52","","2265","2267","10.1021/ic302375z","","","0.62","synchrotron","","0.0846","0.0764","","","0.2376","0.2459","","","","","","1.029","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333994","16.3137","0.001","13.3549","0.0008","17.2465","0.0011","90","","115.163","0.001","90","","3400.9","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H46 Cd N8 O16 -","- C25 H34 Cd N8 O16 -","- C100 H136 Cd4 N32 O64 -","4","0.5","","Jong Won Shin; Jeong Mi Bae; Cheal Kim; Kil Sik Min","Three-Dimensional Zinc(II) and Cadmium(II) Coordination Frameworks with N,N,N',N'-Tetrakis(pyridin-4-yl)methanediamine: Structure, Photoluminescence, and Catalysis","Inorganic Chemistry","2013","52","","2265","2267","10.1021/ic302375z","","","0.71073","MoKα","","0.1199","0.0754","","","0.1706","0.2056","","","","","","1.122","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333995","13.5528","0.0005","17.1546","0.0006","19.1899","0.0006","90","","96.879","0.001","90","","4429.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Br Mn N2 O3 -","- C21 H24 Br Mn N2 O3 -","- C168 H192 Br8 Mn8 N16 O24 -","8","2","","Jonathan M. Smieja; Matthew D. Sampson; Kyle A. Grice; Eric E. Benson; Jesse D. Froehlich; Clifford P. Kubiak","Manganese as a Substitute for Rhenium in CO2 Reduction Catalysts: The Importance of Acids","Inorganic Chemistry","2013","52","","2484","2491","10.1021/ic302391u","","","0.71073","MoKα","","0.0617","0.0407","","","0.1031","0.1103","","","","","","1.079","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333996","18.2559","0.0004","18.4759","0.0004","24.2973","0.0005","90","","98.556","0.001","90","","8104.1","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H112 K2 Mn2 N4 O20 -","- C74 H112 K2 Mn2 N4 O20 -","- C296 H448 K8 Mn8 N16 O80 -","4","1","","Jonathan M. Smieja; Matthew D. Sampson; Kyle A. Grice; Eric E. Benson; Jesse D. Froehlich; Clifford P. Kubiak","Manganese as a Substitute for Rhenium in CO2 Reduction Catalysts: The Importance of Acids","Inorganic Chemistry","2013","52","","2484","2491","10.1021/ic302391u","","","1.54178","CuKα","","0.106","0.0733","","","0.1941","0.2255","","","","","","1.026","","","","has coordinates,has disorder","179442","2020-10-21","18:00:00",""
"4333997","12.25512","0.00012","8.46996","0.00008","23.8036","0.0003","90","","102.136","0.001","90","","2415.6","0.05","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Ru09","","","- C21 H19 F6 N4 O4 P Ru -","- C21 H19 F6 N4 O4 P Ru -","- C84 H76 F24 N16 O16 P4 Ru4 -","4","1","","Lianpeng Tong; A. Ken Inge; Lele Duan; Lei Wang; Xiaodong Zou; Licheng Sun","Catalytic Water Oxidation by Mononuclear Ru Complexes with an Anionic Ancillary Ligand","Inorganic Chemistry","2013","52","","2505","2518","10.1021/ic302446h","","","0.71073","MoKα","","0.0429","0.0361","","","0.0974","0.1032","","","","","","1.053","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333998","10.3799","0.0004","11.1676","0.0004","12.2351","0.0005","111.08","0.003","91.03","0.003","110.513","0.003","1222.51","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Ru08","","","- C19 H20 Cl N5 O4 Ru -","- C21 H19 Cl N4 O4 Ru -","- C42 H38 Cl2 N8 O8 Ru2 -","2","1","","Lianpeng Tong; A. Ken Inge; Lele Duan; Lei Wang; Xiaodong Zou; Licheng Sun","Catalytic Water Oxidation by Mononuclear Ru Complexes with an Anionic Ancillary Ligand","Inorganic Chemistry","2013","52","","2505","2518","10.1021/ic302446h","","","0.71073","MoKα","","0.0301","0.0265","","","0.0797","0.0805","","","","","","1.094","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4333999","23.7452","0.0011","10.6244","0.0005","10.9461","0.0005","90","","90","","90","","2761.5","0.2","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H3 N Ni O15 Ru5 -","- C18 H3 N Ni O15 Ru5 -","- C72 H12 N4 Ni4 O60 Ru20 -","4","1","","Sumit Saha; Lei Zhu; Burjor Captain","Bimetallic Octahedral Ruthenium-Nickel Carbido Cluster Complexes. Synthesis and Structural Characterization","Inorganic Chemistry","2013","52","","2526","2532","10.1021/ic302470w","","","0.71073","MoKα","","0.0419","0.0296","","","0.0607","0.0652","","","","","","1.01","","","","has coordinates","179442","2020-10-21","18:00:00",""
"4334000","9.2207","0.0004","9.9312","0.0004","16.0529","0.0007","85.136","0.0006","83.3197","0.0007","63.3268","0.0006","1303.77","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 Ni O16 Ru5 -","- C17 Ni O16 Ru5 -","- C34 Ni2 O32 Ru10 -","2","1","","Sumit Saha; Lei Zhu; Burjor Captain","Bimetallic Octahedral Ruthenium-Nickel Carbido Cluster Complexes. Synthesis and Structural Characterization","Inorganic Chemistry","2013","52","","2526","2532","10.1021/ic302470w","","","0.71073","MoKα","","0.0367","0.0321","","","0.084","0.0872","","","","","","1.015","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334001","9.4325","0.0004","17.0113","0.0007","17.5226","0.0007","62.614","0.001","89.195","0.001","89.35","0.001","2496.27","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H3 N Ni O15 Ru5 -","- C16 H3 N Ni O15 Ru5 -","- C64 H12 N4 Ni4 O60 Ru20 -","4","2","","Sumit Saha; Lei Zhu; Burjor Captain","Bimetallic Octahedral Ruthenium-Nickel Carbido Cluster Complexes. Synthesis and Structural Characterization","Inorganic Chemistry","2013","52","","2526","2532","10.1021/ic302470w","","","0.71073","MoKα","","0.1172","0.0477","","","0.0636","0.0831","","","","","","1.097","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334002","15.3325","0.0006","16.0776","0.0006","21.1873","0.0008","90","","90","","90","","5222.9","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H6 Ni O13 Ru5 -","- C20 H6 Ni O13 Ru5 -","- C160 H48 Ni8 O104 Ru40 -","8","1","","Sumit Saha; Lei Zhu; Burjor Captain","Bimetallic Octahedral Ruthenium-Nickel Carbido Cluster Complexes. Synthesis and Structural Characterization","Inorganic Chemistry","2013","52","","2526","2532","10.1021/ic302470w","","","0.71073","MoKα","","0.0264","0.0221","","","0.0536","0.0568","","","","","","1.103","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334003","17.4209","0.0008","18.8346","0.0008","18.4782","0.0008","90","","116.945","0.001","90","","5404.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H8 Ni O13 Ru5 -","- C21 H8 Ni O13 Ru5 -","- C168 H64 Ni8 O104 Ru40 -","8","2","","Sumit Saha; Lei Zhu; Burjor Captain","Bimetallic Octahedral Ruthenium-Nickel Carbido Cluster Complexes. Synthesis and Structural Characterization","Inorganic Chemistry","2013","52","","2526","2532","10.1021/ic302470w","","","0.71073","MoKα","","0.0478","0.032","","","0.0762","0.085","","","","","","1.036","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334004","20.7362","0.0019","10.8673","0.001","12.0256","0.0011","90","","100.386","0.002","90","","2665.5","0.4","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Ag F7 N4 O3 S -","- C23 H28 Ag F7 N4 O3 S -","- C92 H112 Ag4 F28 N16 O12 S4 -","4","1","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.1264","0.0863","","","0.186","0.2089","","","","","","1.101","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334005","14.6799","0.0008","10.2113","0.0006","16.6281","0.0009","90","","94.666","0.001","90","","2484.3","0.2","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 Ag F3 N4 O3 S -","- C23 H32 Ag F3 N4 O3 S -","- C92 H128 Ag4 F12 N16 O12 S4 -","4","1","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.0531","0.0436","","","0.113","0.1205","","","","","","1.042","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334006","44.359","0.003","10.523","0.0005","33.2164","0.0019","90","","115.458","0.002","90","","13999.5","1.4","90","","90","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H80 Ag2 F6 N8 O10 S2 -","- C70 H80 Ag2 F6 N8 O10 S2 -","- C560 H640 Ag16 F48 N64 O80 S16 -","8","1","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.0857","0.0563","","","0.1163","0.1273","","","","","","1.035","","","","has coordinates,has disorder","179443","2020-10-21","18:00:00",""
"4334007","10.1046","0.0009","9.942","0.0008","22.717","0.002","90","","99.837","0.002","90","","2248.6","0.3","100","","100","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C48 H54 Ag F3 N6 O4 S -","- C48 H48 Ag F3 N6 O4 S -","- C96 H96 Ag2 F6 N12 O8 S2 -","2","1","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.0824","0.067","","","0.1781","0.1898","","","","","","1.085","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334008","13.298","0.002","14.8","0.002","17.76","0.003","90","","107.748","0.003","90","","3329","0.9","298","","298","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H36 Ag F3 N4 O3 S -","- C31 H36 Ag F3 N4 O3 S -","- C124 H144 Ag4 F12 N16 O12 S4 -","4","0.5","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.13","0.115","","","0.2698","0.2769","","","","","","1.393","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334009","10.1283","0.0007","19.0025","0.0014","19.4108","0.0014","90","","94.619","0.001","90","","3723.7","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Ag F3 N4 O4 S -","- C40 H40 Ag F3 N4 O4 S -","- C160 H160 Ag4 F12 N16 O16 S4 -","4","1","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.0501","0.0461","","","0.1179","0.1207","","","","","","1.102","","","","has coordinates,has disorder","179443","2020-10-21","18:00:00",""
"4334010","19.473","0.002","16.4227","0.0017","14.1119","0.0015","90","","117.169","0.002","90","","4015","0.7","90","","90","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C44 H44 Ag F3 N4 O4 S -","- C44 H42 Ag F3 N4 O4 S -","- C176 H168 Ag4 F12 N16 O16 S4 -","4","1","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.0856","0.0737","","","0.196","0.2104","","","","","","1.043","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334011","9.2895","0.0004","13.2922","0.0006","30.4225","0.0014","90","","90","","90","","3756.5","0.3","90","","90","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 Cu F6 N4 O8 S2 -","- C36 H40 Cu F6 N4 O8 S2 -","- C144 H160 Cu4 F24 N16 O32 S8 -","4","1","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.0472","0.045","","","0.1135","0.1149","","","","","","1.035","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334012","16.6739","0.0012","13.7155","0.001","22.8264","0.0013","90","","124.256","0.004","90","","4314.6","0.5","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Cu F6 N5 O7 S2 -","- C43 H44 Cu F6 N5 O7 S2 -","- C172 H176 Cu4 F24 N20 O28 S8 -","4","1","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.1014","0.0803","","","0.2126","0.228","","","","","","1.091","","","","has coordinates,has disorder","179443","2020-10-21","18:00:00",""
"4334013","12.9581","0.0008","16.6195","0.001","20.052","0.0011","90","","108.536","0.002","90","","4094.3","0.4","90","","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cu F6 N4 O7 S2 -","- C44 H42 Cu F6 N4 O7 S2 -","- C176 H168 Cu4 F24 N16 O28 S8 -","4","1","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.0979","0.0613","","","0.1209","0.1352","","","","","","1.026","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334014","22.182","0.0019","7.6862","0.0006","20.9636","0.0016","90","","104.577","0.002","90","","3459.1","0.5","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 Cl2 Hg N4 -","- C38 H40 Cl2 Hg N4 -","- C152 H160 Cl8 Hg4 N16 -","4","0.5","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.0521","0.0515","","","0.142","0.1424","","","","","","1.185","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334015","11.5947","0.0016","14.973","0.002","16.169","0.002","81.717","0.003","78.957","0.002","68.798","0.003","2560","0.6","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H36 N4 -","- C30 H36 N4 -","- C120 H144 N16 -","4","2","","Yoichi Habata; Aya Taniguchi; Mari Ikeda; Takao Hiraoka; Noriko Matsuyama; Sakiko Otsuka; Shunsuke Kuwahara","Argentivorous Molecules Bearing Two Aromatic Side-Arms: Ag±π and CH-π Interactions in the Solid State and in Solution","Inorganic Chemistry","2013","52","","2542","2549","10.1021/ic302511e","","","0.71073","MoKα","","0.1317","0.0643","","","0.1717","0.2328","","","","","","1.028","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334016","12.5734","0.0002","12.5734","0.0002","38.3973","0.001","90","","90","","120","","5256.99","0.18","173.15","","173.15","","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C72 H168 Ce2 Mn2 N6 O20 P12 -","- C72 H168 Ce2 Mn2 N6 O20 P12 -","- C144 H336 Ce4 Mn4 N12 O40 P24 -","2","0.166667","","Guo-Cang Wang; Herman H. Y. Sung; Feng-Rong Dai; Wai-Hang Chiu; Wai-Yeung Wong; Ian D. Williams; Wa-Hung Leung","Heterometallic Cerium(IV) Perrhenate, Permanganate, and Molybdate Complexes Supported by the Imidodiphosphinate Ligand [N(i-Pr2PO)2]-","Inorganic Chemistry","2013","52","","2556","2563","10.1021/ic302567e","","x-ray","0.7107","MoKα","","0.0355","0.0324","","","0.0982","0.1009","","","","","","1.008","","","","has coordinates,has disorder","179443","2020-10-21","18:00:00",""
"4334017","12.6951","0.0011","13.0938","0.0012","17.7937","0.0016","78.786","0.002","79.136","0.001","62.847","0.001","2564.7","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H168 Ce2 Mo N6 O16 P12 -","- C72 H168 Ce2 Mo N6 O16 P12 -","- C72 H168 Ce2 Mo N6 O16 P12 -","1","0.5","","Guo-Cang Wang; Herman H. Y. Sung; Feng-Rong Dai; Wai-Hang Chiu; Wai-Yeung Wong; Ian D. Williams; Wa-Hung Leung","Heterometallic Cerium(IV) Perrhenate, Permanganate, and Molybdate Complexes Supported by the Imidodiphosphinate Ligand [N(i-Pr2PO)2]-","Inorganic Chemistry","2013","52","","2556","2563","10.1021/ic302567e","","","0.71073","MoKα","","0.0985","0.0752","","","0.2056","0.2348","","","","","","1.034","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334018","9.6503","0.0002","14.9612","0.0002","13.6574","0.0002","90","","108.785","0.002","90","","1866.82","0.06","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H56 Ce N4 O10 P4 -","- C24 H56 Ce N4 O10 P4 -","- C48 H112 Ce2 N8 O20 P8 -","2","1","","Guo-Cang Wang; Herman H. Y. Sung; Feng-Rong Dai; Wai-Hang Chiu; Wai-Yeung Wong; Ian D. Williams; Wa-Hung Leung","Heterometallic Cerium(IV) Perrhenate, Permanganate, and Molybdate Complexes Supported by the Imidodiphosphinate Ligand [N(i-Pr2PO)2]-","Inorganic Chemistry","2013","52","","2556","2563","10.1021/ic302567e","","","1.54178","CuKα","","0.0534","0.0508","","","0.1196","0.1206","","","","","","1.017","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334019","18.7983","0.0004","14.1982","0.0004","21.6789","0.0004","90","","95.839","0.002","90","","5756.1","0.2","173.15","","172.9","0.3","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H87.33 Ce Mo2 N2 O10.67 P4 -","- C44 H87.32 Ce Mo2 N2 O10.66 P4 -","- C176 H349.28 Ce4 Mo8 N8 O42.64 P16 -","4","0.5","","Guo-Cang Wang; Herman H. Y. Sung; Feng-Rong Dai; Wai-Hang Chiu; Wai-Yeung Wong; Ian D. Williams; Wa-Hung Leung","Heterometallic Cerium(IV) Perrhenate, Permanganate, and Molybdate Complexes Supported by the Imidodiphosphinate Ligand [N(i-Pr2PO)2]-","Inorganic Chemistry","2013","52","","2556","2563","10.1021/ic302567e","","","0.7107","MoKα","","0.0261","0.025","","","0.0794","0.0803","","","","","","1.021","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334020","17.3359","0.0018","17.3359","0.0018","6.177","0.0007","90","","90","","90","","1856.4","0.3","190","2","190","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","Dicarbonyl(<i>N</i>,<i>N</i>-diethyl-<i>N'</i>,<i>N''</i>- diphenylguanidinato-κ^2^<i>N'</i>,<i>N''</i>)iridium(I)","","- C19 H20 Ir N3 O2 -","- C19 H20 Ir N3 O2 -","- C76 H80 Ir4 N12 O8 -","4","0.5","","Matthew R. Kelley; Jan-Uwe Rohde","Guanidinato Complexes of Iridium: Ligand-Donor Strength, O2 Reactivity, and (Alkene)peroxoiridium(III) Intermediates","Inorganic Chemistry","2013","52","","2564","2580","10.1021/ic302570s","","","0.71073","MoKα","","0.0308","0.0275","","","0.0857","0.0873","","","","","","1.21","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334021","9.5336","0.0011","9.6634","0.0011","13.6109","0.0015","87.444","0.005","89.343","0.005","74.719","0.005","1208.4","0.2","210","2","210","2","","","","","","","","4","P -1","-P 1","2","","(η^4^-Cyclooctadiene)(<i>N</i>,<i>N</i>-diethyl-<i>N'</i>,<i>N''</i>- bis(4-methylphenyl)guanidinato-κ^2^<i>N'</i>,<i>N''</i>)iridium(I)","","- C27 H36 Ir N3 -","- C27 H36 Ir N3 -","- C54 H72 Ir2 N6 -","2","1","","Matthew R. Kelley; Jan-Uwe Rohde","Guanidinato Complexes of Iridium: Ligand-Donor Strength, O2 Reactivity, and (Alkene)peroxoiridium(III) Intermediates","Inorganic Chemistry","2013","52","","2564","2580","10.1021/ic302570s","","","0.71073","MoKα","","0.0264","0.0225","","","0.0516","0.0531","","","","","","1.118","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334022","12.791","0.003","13.683","0.002","14.921","0.003","94.22","0.02","115.03","0.03","90.77","0.03","2356.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H61 Cl4 Cr N2 P2 -","- C48 H61 Cl4 Cr N2 P2 -","- C96 H122 Cl8 Cr2 N4 P4 -","2","1","","Nicoline Cloete; Hendrik G. Visser; Ilana Engelbrecht; Matthew J. Overett; William F. Gabrielli; Andreas Roodt","Ethylene Tri- and Tetramerization: a Steric Parameter Selectivity Switch from X-ray Crystallography and Computational Analysis","Inorganic Chemistry","2013","52","","2268","2270","10.1021/ic302578a","","","0.71073","MoKα","","0.0746","0.0446","","","","0.115","","","","","","1.016","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334023","11.0839","0.0009","17.2379","0.0016","14.8418","0.0012","90","","100.329","0.002","90","","2789.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 Cl2 N P2 Pt -","- C30 H31 Cl2 N P2 Pt -","- C120 H124 Cl8 N4 P8 Pt4 -","4","1","","Nicoline Cloete; Hendrik G. Visser; Ilana Engelbrecht; Matthew J. Overett; William F. Gabrielli; Andreas Roodt","Ethylene Tri- and Tetramerization: a Steric Parameter Selectivity Switch from X-ray Crystallography and Computational Analysis","Inorganic Chemistry","2013","52","","2268","2270","10.1021/ic302578a","","","0.71073","MoKα","","","0.026","","","","0.0549","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334024","14.3695","0.0012","11.891","0.0011","18.1768","0.0015","90","","90","","90","","3105.8","0.5","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H46 Cr N2 O4 -","- C32 H46 Cr N2 O4 -","- C128 H184 Cr4 N8 O16 -","4","0.5","","Wen Zhou; Addison N. Desnoyer; James A. Bailey; Brian O. Patrick; Kevin M. Smith","Direct Synthesis of Ligand-Based Radicals by the Addition of Bipyridine to Chromium(II) Compounds","Inorganic Chemistry","2013","52","","2271","2273","10.1021/ic302590g","","","0.71073","MoKα","","0.0427","0.0349","","","0.0894","0.0941","","","","","","1.022","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334025","10.17","0.0004","25.415","0.0012","18.111","0.0008","90","","98.666","0.001","90","","4627.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H62 Cr N2 O4 -","- C40 H62 Cr N2 O4 -","- C160 H248 Cr4 N8 O16 -","4","1","","Wen Zhou; Addison N. Desnoyer; James A. Bailey; Brian O. Patrick; Kevin M. Smith","Direct Synthesis of Ligand-Based Radicals by the Addition of Bipyridine to Chromium(II) Compounds","Inorganic Chemistry","2013","52","","2271","2273","10.1021/ic302590g","","","0.71073","MoKα","","0.069","0.0432","","","0.0998","0.1061","","","","","","1.056","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334026","9.528","0.0011","16.202","0.0019","16.97","0.002","81.108","0.002","84.587","0.002","73.428","0.002","2477.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H66 B Cr N2 O4 -","- C56 H66 B Cr N2 O4 -","- C112 H132 B2 Cr2 N4 O8 -","2","1","","Wen Zhou; Addison N. Desnoyer; James A. Bailey; Brian O. Patrick; Kevin M. Smith","Direct Synthesis of Ligand-Based Radicals by the Addition of Bipyridine to Chromium(II) Compounds","Inorganic Chemistry","2013","52","","2271","2273","10.1021/ic302590g","","","0.71073","MoKα","","0.052","0.0382","","","0.096","0.1041","","","","","","1.027","","","","has coordinates,has disorder","179443","2020-10-21","18:00:00",""
"4334027","7.4323","0.0004","11.9141","0.0006","17.8562","0.001","90","","91.95","0.002","90","","1580.24","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cr N2 -","- C20 H18 Cr N2 -","- C80 H72 Cr4 N8 -","4","1","","Wen Zhou; Addison N. Desnoyer; James A. Bailey; Brian O. Patrick; Kevin M. Smith","Direct Synthesis of Ligand-Based Radicals by the Addition of Bipyridine to Chromium(II) Compounds","Inorganic Chemistry","2013","52","","2271","2273","10.1021/ic302590g","","","0.71073","MoKα","","0.0354","0.03","","","0.0783","0.0816","","","","","","1.044","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334028","14.867","0.0002","22.9622","0.0003","17.5517","0.0002","90","","99.344","0.001","90","","5912.28","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H44 Cr N4 Si4 -","- C22 H44 Cr N4 Si4 -","- C176 H352 Cr8 N32 Si32 -","8","2","","Wen Zhou; Addison N. Desnoyer; James A. Bailey; Brian O. Patrick; Kevin M. Smith","Direct Synthesis of Ligand-Based Radicals by the Addition of Bipyridine to Chromium(II) Compounds","Inorganic Chemistry","2013","52","","2271","2273","10.1021/ic302590g","","","0.71073","MoKα","","0.0803","0.0415","","","0.0915","0.1066","","","","","","1.008","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334029","13.628","0.002","13.863","0.002","15.446","0.002","102.265","0.002","100.557","0.002","96.661","0.002","2766.6","0.7","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H25 Ag2 F12 N5 O21 Ru S4 -","- C36 H22 Ag2 F12 N5 O21 Ru S4 -","- C72 H44 Ag4 F24 N10 O42 Ru2 S8 -","2","1","","Hiroumi Mitome; Tomoya Ishizuka; Yoshihiko Shiota; Kazunari Yoshizawa; Takahiko Kojima","Heteronuclear RuIIAgI Complexes Having a Pyrroloquinolinequinone Derivative as a Bridging Ligand","Inorganic Chemistry","2013","52","","2274","2276","10.1021/ic302617b","","","0.71073","MoKα","","0.1043","0.0541","","","0.1225","0.1377","","","","","","0.905","","","","has coordinates,has disorder","179443","2020-10-21","18:00:00",""
"4334030","13.2516","0.0004","14.4","0.0004","14.643","0.0003","82.4","0.002","77.498","0.002","67.497","0.003","2516.47","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H54 Cl2 Cu N4 O P -","- C61 H47 Cl2 Cu N4 O P -","- C122 H94 Cl4 Cu2 N8 O2 P2 -","2","1","","Norbert Grzegorzek; Elżbieta Nojman; Ludmiła Szterenberg; Lechosław Latos-Grażyński","Copper(II) Thiaethyneporphyrin and Copper(II) 21-Phosphoryl N-confused Porphyrin Hybrids. Intramolecular Copper(II)-Carbon Interaction Inside of a Porphyrinoid Surrounding","Inorganic Chemistry","2013","52","","2599","2606","10.1021/ic302631d","","","0.71073","MoKα","","0.076","0.0508","","","0.1301","0.1383","","","","","","1.004","","","","has coordinates,has disorder","179443","2020-10-21","18:00:00",""
"4334031","9.4747","0.00018","17.3921","0.0004","17.9733","0.0004","68.8893","0.0007","74.8665","0.0007","80.4037","0.0007","2658.44","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H31 Cl3 N3 V -","- C25.5 H31 Cl3 N3 V -","- C102 H124 Cl12 N12 V4 -","4","2","","Kotohiro Nomura; Atsushi Igarashi; Shohei Katao; Wenjuan Zhang; Wen-Hua Sun","Synthesis and Structural Analysis of (Imido)Vanadium(V) Complexes Containing Chelate (Anilido)Methyl-imine Ligands: Ligand Effect in Ethylene Dimerization","Inorganic Chemistry","2013","52","","2607","2614","10.1021/ic302633y","","","0.71075","MoKα","","","0.0407","","","","0.0969","","","","","","1.046","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334032","16.4655","0.0003","14.5364","0.0002","10.77817","0.0001","90","","99.4194","","90","","2544.96","0.06","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 Cl2 N3 V -","- C28 H32 Cl2 N3 V -","- C112 H128 Cl8 N12 V4 -","4","1","","Kotohiro Nomura; Atsushi Igarashi; Shohei Katao; Wenjuan Zhang; Wen-Hua Sun","Synthesis and Structural Analysis of (Imido)Vanadium(V) Complexes Containing Chelate (Anilido)Methyl-imine Ligands: Ligand Effect in Ethylene Dimerization","Inorganic Chemistry","2013","52","","2607","2614","10.1021/ic302633y","","","0.71075","MoKα","","","0.0334","","","","0.0901","","","","","","1.137","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334033","7.76484","0.00016","14.4294","0.0003","36.7708","0.0008","90","","90","","90","","4119.87","0.15","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 Cl2 N3 V -","- C21 H22 Cl2 N3 V -","- C168 H176 Cl16 N24 V8 -","8","1","","Kotohiro Nomura; Atsushi Igarashi; Shohei Katao; Wenjuan Zhang; Wen-Hua Sun","Synthesis and Structural Analysis of (Imido)Vanadium(V) Complexes Containing Chelate (Anilido)Methyl-imine Ligands: Ligand Effect in Ethylene Dimerization","Inorganic Chemistry","2013","52","","2607","2614","10.1021/ic302633y","","","0.71075","MoKα","","","0.0412","","","","0.122","","","","","","1.082","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334034","8.9224","0.0002","10.11","0.0003","16.7358","0.0005","77.7248","0.0007","85.5932","0.0007","74.3597","0.0007","1420.22","0.07","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 Cl4 N3 V -","- C29 H34 Cl4 N3 V -","- C58 H68 Cl8 N6 V2 -","2","1","","Kotohiro Nomura; Atsushi Igarashi; Shohei Katao; Wenjuan Zhang; Wen-Hua Sun","Synthesis and Structural Analysis of (Imido)Vanadium(V) Complexes Containing Chelate (Anilido)Methyl-imine Ligands: Ligand Effect in Ethylene Dimerization","Inorganic Chemistry","2013","52","","2607","2614","10.1021/ic302633y","","","0.71075","MoKα","","","0.0529","","","","0.1554","","","","","","1.096","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334035","7.7745","0.0002","11.4635","0.0001","13.5377","0.0002","96.803","0.001","105.71","0.002","99.225","0.002","1129.67","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 Co2 N6 O18 V4 -","- C36 H42 Co2 N6 O18 V4 -","- C36 H42 Co2 N6 O18 V4 -","1","0.5","","Roberto Fernández de Luis; M. Karmele Urtiaga; José L. Mesa; Edurne S. Larrea; Marta Iglesias; Teófilo Rojo; María I. Arriortua","Thermal Response, Catalytic Activity, and Color Change of the First Hybrid Vanadate Containing Bpe Guest Molecules","Inorganic Chemistry","2013","52","","2615","2626","10.1021/ic302662x","","","0.71073","MoKα","","0.0452","0.0325","","","0.082","0.0863","","","","","","1.02","","","","has coordinates,has disorder","179443","2020-10-21","18:00:00",""
"4334036","7.7086","0.0003","11.4007","0.0004","13.499","0.0003","96.395","0.002","105.619","0.003","99.339","0.003","1112.28","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H42 N6 Ni2 O18 V4 -","- C36 H42 N6 Ni2 O18 V4 -","- C36 H42 N6 Ni2 O18 V4 -","1","0.5","","Roberto Fernández de Luis; M. Karmele Urtiaga; José L. Mesa; Edurne S. Larrea; Marta Iglesias; Teófilo Rojo; María I. Arriortua","Thermal Response, Catalytic Activity, and Color Change of the First Hybrid Vanadate Containing Bpe Guest Molecules","Inorganic Chemistry","2013","52","","2615","2626","10.1021/ic302662x","","","1.5418","CuKα","","0.0304","0.0299","","","0.0772","0.0775","","","","","","1.075","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334037","7.2595","0.0006","7.2595","0.0006","12.4867","0.0013","90","","90","","120","","569.89","0.09","298","0.2","298","0.2","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- Na2 O14 Se W3 -","- Na2.00001 O14 Se W3 -","- Na4.00002 O28 Se2 W6 -","2","0.333333","","Sau Doan Nguyen; P. Shiv Halasyamani","Synthesis, Structure, and Characterization of Two New Polar Sodium Tungsten Selenites: Na2(WO3)3(SeO3).2H2O and Na6(W6O19)(SeO3)2","Inorganic Chemistry","2013","52","","2637","2647","10.1021/ic3026705","","","0.71073","MoKα","","0.0391","0.0363","","","0.0855","0.087","","","","","","1.03","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334038","42.169","0.008","7.269","0.0015","6.7494","0.0013","90","","98.48","0.03","90","","2046.3","0.7","298","0.2","298","0.2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Na6 O25 Se2 W6 -","- Na6 O25 Se2 W6 -","- Na24 O100 Se8 W24 -","4","1","","Sau Doan Nguyen; P. Shiv Halasyamani","Synthesis, Structure, and Characterization of Two New Polar Sodium Tungsten Selenites: Na2(WO3)3(SeO3).2H2O and Na6(W6O19)(SeO3)2","Inorganic Chemistry","2013","52","","2637","2647","10.1021/ic3026705","","","0.71073","MoKα","","0.0331","0.032","","","0.0821","0.0895","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334039","2.9588","0.0001","2.9588","0.0001","28.408","0.0007","90","","90","","120","","215.379","0.012","293","","293","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Aluminum oxycarbide","","- C0.5 Al3 O3.5 -","- C0.5 Al3 O3.5 -","- C1.5 Al9 O10.5 -","3","0.0833333","","Toru Asaka; Ryosuke Kotani; Tatsunari Kudo; Hideto Yoshida; Koichiro Fukuda","Synthesis and Disordered Crystal Structure of Al3O3.5C0.5","Inorganic Chemistry","2013","52","","2648","2653","10.1021/ic302674g","powder diffraction","","1.54059","CuKα~1~","","0.01431","","","","","","0.01439","0.01964","1.199","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334040","13.9659","0.0003","11.9966","0.0004","18.2189","0.0005","90","","94.0112","0.0017","90","","3044.98","0.15","20","1","20","1","","","","","","","","7","P 1 n 1","P -2yac","7","{RuH[(eta2-H-SiMe2)N(Me)kappa-N-(C5H4N)][kappa-Si,N-(SiMe2)N(Me)(C5H4N)]2}+ {[3,5-(CF3)2C6H3]4B}-","","","- C56 H53 B F24 N6 Ru Si3 -","- C56 H53 B F24 N6 Ru Si3 -","- C112 H106 B2 F48 N12 Ru2 Si6 -","2","1","","Katharine A. Smart; Mary Grellier; Laure Vendier; Sax A. Mason; Silvia C. Capelli; Alberto Albinati; Sylviane Sabo-Etienne","Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru-H-Si Bond Activation","Inorganic Chemistry","2013","52","","2654","2661","10.1021/ic302682f","","neutron","1.1708","neutron","","0.0882","0.0617","","","0.1197","0.131","","","","","","1.063","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334041","12.536","0.0002","12.536","0.0002","12.8809","0.0002","90","","90","","90","","2024.25","0.06","100","2","100","2","","","","","","","synthesis as described","5","P 42 21 2","P 4n 2n","94","","","","- C32 H56 N8 Ru2 Si4 -","- C32 H56 N8 Ru2 Si4 -","- C64 H112 N16 Ru4 Si8 -","2","0.25","","Katharine A. Smart; Mary Grellier; Laure Vendier; Sax A. Mason; Silvia C. Capelli; Alberto Albinati; Sylviane Sabo-Etienne","Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru-H-Si Bond Activation","Inorganic Chemistry","2013","52","","2654","2661","10.1021/ic302682f","","x-ray","0.71073","MoKα","","0.0188","0.0156","","","0.0352","0.0356","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334042","14.247","0.001","16.073","0.001","19.43","0.001","90","","101.564","0.01","90","","4359","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 N2 Ru Si -","- C24 H36 N2 Ru Si -","- C192 H288 N16 Ru8 Si8 -","8","2","","Katharine A. Smart; Mary Grellier; Laure Vendier; Sax A. Mason; Silvia C. Capelli; Alberto Albinati; Sylviane Sabo-Etienne","Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru-H-Si Bond Activation","Inorganic Chemistry","2013","52","","2654","2661","10.1021/ic302682f","","","0.71073","MoKα","","0.108","0.0424","","","0.068","0.0817","","","","","","0.986","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334043","9.679","0.0006","16.069","0.0008","36.652","0.0018","90","","90","","90","","5700.6","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N6 Ru Si3 -","- C24 H40 N6 Ru Si3 -","- C192 H320 N48 Ru8 Si24 -","8","2","","Katharine A. Smart; Mary Grellier; Laure Vendier; Sax A. Mason; Silvia C. Capelli; Alberto Albinati; Sylviane Sabo-Etienne","Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru-H-Si Bond Activation","Inorganic Chemistry","2013","52","","2654","2661","10.1021/ic302682f","","","0.71073","MoKα","","0.0169","0.0161","","","0.0393","0.0398","","","","","","1.11","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334044","13.9065","0.0003","12.1742","0.0003","18.3076","0.0004","90","","94.385","0.002","90","","3090.41","0.12","100","2","100","2","","","","","","","synthesis as described","7","P 1 n 1","P -2yac","7","","","","- C56 H53 B F24 N6 Ru Si3 -","- C56 H53 B F24 N6 Ru Si3 -","- C112 H106 B2 F48 N12 Ru2 Si6 -","2","1","","Katharine A. Smart; Mary Grellier; Laure Vendier; Sax A. Mason; Silvia C. Capelli; Alberto Albinati; Sylviane Sabo-Etienne","Step-by-Step Introduction of Silazane Moieties at Ruthenium: Different Extents of Ru-H-Si Bond Activation","Inorganic Chemistry","2013","52","","2654","2661","10.1021/ic302682f","","x-ray","0.71073","MoKα","","0.0399","0.0345","","","0.0809","0.0854","","","","","","1.041","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334045","29.4889","0.0009","28.588","0.0006","29.7538","0.0008","90","","90","","90","","25083.3","1.1","123","","123","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C162 Cl20 N8 O80 Pd4 Si2 W20 -","- C162 Cl20 N8 O80 Pd4 Si2 W20 -","- C648 Cl80 N32 O320 Pd16 Si8 W80 -","4","0.5","","Tomohisa Hirano; Kazuhiro Uehara; Sayaka Uchida; Mitsuhiro Hibino; Keigo Kamata; Noritaka Mizuno","Synthesis and Structural Characterization of Inorganic-Organic-Inorganic Hybrids of Dipalladium-Substituted γ-Keggin Silicodecatungstates","Inorganic Chemistry","2013","52","","2662","2670","10.1021/ic302703k","","x-ray","0.71069","MoKα","","","0.103","","","","0.3242","","","","","","1.052","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334046","17.0069","0.0002","24.7919","0.0003","27.3714","0.0004","90","","92.608","0.001","90","","11528.7","0.3","183","","183","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C134 N8 O80 Pd4 Si2 W20 -","- C134 N8 O80 Pd4 Si2 W20 -","- C268 N16 O160 Pd8 Si4 W40 -","2","0.5","","Tomohisa Hirano; Kazuhiro Uehara; Sayaka Uchida; Mitsuhiro Hibino; Keigo Kamata; Noritaka Mizuno","Synthesis and Structural Characterization of Inorganic-Organic-Inorganic Hybrids of Dipalladium-Substituted γ-Keggin Silicodecatungstates","Inorganic Chemistry","2013","52","","2662","2670","10.1021/ic302703k","","x-ray","0.71069","MoKα","","","0.0726","","","","0.2427","","","","","","1.112","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334047","30.4333","0.0002","26.6216","0.0002","31.2528","0.0002","90","","112.714","0.0003","90","","23356.7","0.3","153","","153","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C140 Cl2 N8 O80 Pd4 Si2 V0 W20 -","- C140.004 Cl2 N8 O80 Pd4 Si2 W20 -","- C560.016 Cl8 N32 O320 Pd16 Si8 W80 -","4","1","","Tomohisa Hirano; Kazuhiro Uehara; Sayaka Uchida; Mitsuhiro Hibino; Keigo Kamata; Noritaka Mizuno","Synthesis and Structural Characterization of Inorganic-Organic-Inorganic Hybrids of Dipalladium-Substituted γ-Keggin Silicodecatungstates","Inorganic Chemistry","2013","52","","2662","2670","10.1021/ic302703k","","x-ray","0.71069","MoKα","","","0.0809","","","","0.2746","","","","","","1.163","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334048","30.0423","0.0004","28.7748","0.0003","30.1121","0.0004","90","","90","","90","","26030.7","0.6","293","","293","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C162 Cl20 N8 O80 Pd4 Si2 W20 -","- C162.04 Cl20 N8 O80 Pd4 Si2 W20 -","- C648.16 Cl80 N32 O320 Pd16 Si8 W80 -","4","0.5","","Tomohisa Hirano; Kazuhiro Uehara; Sayaka Uchida; Mitsuhiro Hibino; Keigo Kamata; Noritaka Mizuno","Synthesis and Structural Characterization of Inorganic-Organic-Inorganic Hybrids of Dipalladium-Substituted γ-Keggin Silicodecatungstates","Inorganic Chemistry","2013","52","","2662","2670","10.1021/ic302703k","","x-ray","0.71069","MoKα","","","0.1158","","","","0.3119","","","","","","1.084","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334049","13.5608","0.0012","19.2945","0.0017","17.8802","0.0016","90","","110.219","0.002","90","","4390","0.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 K N O4 -","- C44 H72 K N O4 -","- C176 H288 K4 N4 O16 -","4","1","","Rhiannon S. Moorhouse; Graeme J. Moxey; Fabrizio Ortu; Thomas J. Reade; William Lewis; Alexander J. Blake; Deborah L. Kays","Structural Diversity in Alkali Metal Complexes of Sterically Demanding Carbazol-9-yl Ligands","Inorganic Chemistry","2013","52","","2678","2683","10.1021/ic302727w","","","0.71073","MoKα","","0.13","0.0522","","","0.1255","0.1541","","","","","","0.929","","","","has coordinates,has disorder","179443","2020-10-21","18:00:00",""
"4334050","18.7441","0.0011","12.5597","0.0007","21.6594","0.0014","90","","90","","90","","5099.1","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56 H80 Li2 N2 -","- C56 H80 Li2 N2 -","- C224 H320 Li8 N8 -","4","0.5","","Rhiannon S. Moorhouse; Graeme J. Moxey; Fabrizio Ortu; Thomas J. Reade; William Lewis; Alexander J. Blake; Deborah L. Kays","Structural Diversity in Alkali Metal Complexes of Sterically Demanding Carbazol-9-yl Ligands","Inorganic Chemistry","2013","52","","2678","2683","10.1021/ic302727w","","","1.54184","CuKα","","0.0902","0.0638","","","0.156","0.167","","","","","","0.95","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334051","17.4299","0.0018","12.1842","0.0013","17.6287","0.0018","90","","113.07","0.002","90","","3444.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Li N O2 -","- C36 H56 Li N O2 -","- C144 H224 Li4 N4 O8 -","4","1","","Rhiannon S. Moorhouse; Graeme J. Moxey; Fabrizio Ortu; Thomas J. Reade; William Lewis; Alexander J. Blake; Deborah L. Kays","Structural Diversity in Alkali Metal Complexes of Sterically Demanding Carbazol-9-yl Ligands","Inorganic Chemistry","2013","52","","2678","2683","10.1021/ic302727w","","","0.71073","MoKα","","0.163","0.0694","","","0.162","0.212","","","","","","1.02","","","","has coordinates,has disorder","179443","2020-10-21","18:00:00",""
"4334052","13.997","0.003","17.624","0.003","16.003","0.003","90","","105.524","0.003","90","","3803.7","1.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H64 N Na O3 -","- C40 H64 N Na O3 -","- C160 H256 N4 Na4 O12 -","4","1","","Rhiannon S. Moorhouse; Graeme J. Moxey; Fabrizio Ortu; Thomas J. Reade; William Lewis; Alexander J. Blake; Deborah L. Kays","Structural Diversity in Alkali Metal Complexes of Sterically Demanding Carbazol-9-yl Ligands","Inorganic Chemistry","2013","52","","2678","2683","10.1021/ic302727w","","","0.71073","MoKα","","0.182","0.0904","","","0.188","0.226","","","","","","1.02","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334053","8.39928","0.00016","18.0571","0.0003","23.6812","0.0003","90","","97.8721","0.0016","90","","3557.8","0.1","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36.5 H35 N7 Ni O9.5 -","- C36.5 H34.5 N7 Ni O9.5 -","- C146 H138 N28 Ni4 O38 -","4","1","","Nayanmoni Gogoi; Mehrez Thlijeni; Carine Duhayon; Jean-Pascal Sutter","Heptacoordinated Nickel(II) as an Ising-Type Anisotropic Building Unit: Illustration with a Pentanuclear [(NiL)3{W(CN)8}2] Complex","Inorganic Chemistry","2013","52","","2283","2285","10.1021/ic3027368","","","1.5418","CuKα","","0.0778","0.0736","","0.0853","0.083","0.0824","","","","","","0.989","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334054","29.1095","0.0002","16.8728","0.0001","21.417","0.0001","90","","90.182","0.001","90","","10519.1","0.11","180","","180","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C86.33 H93 N31.67 Ni3 O20 W2 -","- C86.332 H84.998 N31.666 Ni3 O20 W2 -","- C345.328 H339.992 N126.664 Ni12 O80 W8 -","4","0.5","","Nayanmoni Gogoi; Mehrez Thlijeni; Carine Duhayon; Jean-Pascal Sutter","Heptacoordinated Nickel(II) as an Ising-Type Anisotropic Building Unit: Illustration with a Pentanuclear [(NiL)3{W(CN)8}2] Complex","Inorganic Chemistry","2013","52","","2283","2285","10.1021/ic3027368","","","0.71073","MoKα","","0.05","0.0347","","0.0549","0.0403","0.0391","","","","","","1.0314","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334055","11.0517","0.0004","30.978","0.0011","21.1989","0.0007","90","","98.685","0.002","90","","7174.4","0.4","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C121 H91 N31 Ni3 O8 W2 -","- C121 H91 N31 Ni3 O8 W2 -","- C242 H182 N62 Ni6 O16 W4 -","2","1","","Nayanmoni Gogoi; Mehrez Thlijeni; Carine Duhayon; Jean-Pascal Sutter","Heptacoordinated Nickel(II) as an Ising-Type Anisotropic Building Unit: Illustration with a Pentanuclear [(NiL)3{W(CN)8}2] Complex","Inorganic Chemistry","2013","52","","2283","2285","10.1021/ic3027368","","","0.71073","MoKα","","0.0609","0.0563","","0.0566","0.0543","0.0528","","","","","","1.1078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334056","13.181","0.01","13.181","0.01","43.83","0.06","90","","90","","120","","6595","11","103","2","103","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C68 H104 Cd6 Cl2 N12 O15 S12 -","- C68 H104.04 Cd6 Cl2 N12 O15 S12 -","- C204 H312.12 Cd18 Cl6 N36 O45 S36 -","3","0.166667","","Wei Lai; Steven M. Berry; William P. Kaplan; Malia S. Hain; John C. Poutsma; Raymond J. Butcher; Robert D. Pike; Deborah C. Bebout","Carbonate-Templated Self-Assembly of an Alkylthiolate-Bridged Cadmium Macrocycle","Inorganic Chemistry","2013","52","","2286","2288","10.1021/ic302740j","","","0.71073","MoKα","","0.0406","0.0288","","","0.0674","0.0713","","","","","","1.011","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334057","13.5101","0.0016","13.5101","0.0016","13.5101","0.0016","90","","90","","90","","2465.9","0.5","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ca3 Cd8 Pt4 -","- Ca3 Cd8 Pt4 -","- Ca24 Cd64 Pt32 -","8","0.0416667","","Saroj L. Samal; Fakhili Gulo; John D. Corbett","Cluster Chemistry in Electron-Poor Ae-Pt-Cd Systems (Ae = Ca, Sr, Ba): (Sr,Ba)Pt2Cd4, Ca6Pt8Cd16, and Its Known Antitype Er6Pd16Sb8","Inorganic Chemistry","2013","52","","2697","2704","10.1021/ic302767b","","","0.71073","MoKα","","0.0189","0.0183","","","0.0425","0.0426","","","","","","1.107","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334058","8.3719","0.0012","8.3719","0.0012","4.4624","0.0009","90","","90","","90","","312.76","0.09","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Ba Cd4 Pt2 -","- Ba Cd4 Pt2 -","- Ba2 Cd8 Pt4 -","2","0.125","","Saroj L. Samal; Fakhili Gulo; John D. Corbett","Cluster Chemistry in Electron-Poor Ae-Pt-Cd Systems (Ae = Ca, Sr, Ba): (Sr,Ba)Pt2Cd4, Ca6Pt8Cd16, and Its Known Antitype Er6Pd16Sb8","Inorganic Chemistry","2013","52","","2697","2704","10.1021/ic302767b","","","0.71073","MoKα","","0.0185","0.0173","","","0.0347","0.0349","","","","","","1.138","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334059","8.235","0.0012","8.235","0.0012","4.4817","0.0009","90","","90","","90","","303.93","0.09","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- Cd4 Pt2 Sr -","- Cd4 Pt2 Sr -","- Cd8 Pt4 Sr2 -","2","0.125","","Saroj L. Samal; Fakhili Gulo; John D. Corbett","Cluster Chemistry in Electron-Poor Ae-Pt-Cd Systems (Ae = Ca, Sr, Ba): (Sr,Ba)Pt2Cd4, Ca6Pt8Cd16, and Its Known Antitype Er6Pd16Sb8","Inorganic Chemistry","2013","52","","2697","2704","10.1021/ic302767b","","","0.71073","MoKα","","0.0213","0.02","","","0.0405","0.0408","","","","","","1.188","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334060","12.8418","0.0004","9.2865","0.0002","21.8939","0.0006","90","","116.439","0.002","90","","2337.88","0.12","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 F6 N2 O Os P -","- C22 H23 F6 N2 O Os P -","- C88 H92 F24 N8 O4 Os4 P4 -","4","1","","Bastien Boff; Christian Gaiddon; Michel Pfeffer","Cancer Cell Cytotoxicity of Cyclometalated Compounds Obtained with Osmium(II) Complexes","Inorganic Chemistry","2013","52","","2705","2715","10.1021/ic302779q","","","0.71073","MoKα","","0.0456","0.0376","","","0.0957","0.1143","","","","","","1.192","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334061","26.132","0.0012","10.2475","0.0003","9.0981","0.0004","90","","106.497","0.002","90","","2336.07","0.17","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H25 F6 N2 Os P -","- C23 H25 F6 N2 Os P -","- C92 H100 F24 N8 Os4 P4 -","4","1","","Bastien Boff; Christian Gaiddon; Michel Pfeffer","Cancer Cell Cytotoxicity of Cyclometalated Compounds Obtained with Osmium(II) Complexes","Inorganic Chemistry","2013","52","","2705","2715","10.1021/ic302779q","","","0.71073","MoKα","","0.0388","0.0343","","","0.0906","0.1002","","","","","","1.137","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334062","8.9594","0.0006","12.4581","0.0009","44.2","0.003","90","","90.19","0.001","90","","4933.4","0.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 F6 N O P Ru S -","- C23 H28 F6 N O P Ru S -","- C184 H224 F48 N8 O8 P8 Ru8 S8 -","8","2","","Bastien Boff; Christian Gaiddon; Michel Pfeffer","Cancer Cell Cytotoxicity of Cyclometalated Compounds Obtained with Osmium(II) Complexes","Inorganic Chemistry","2013","52","","2705","2715","10.1021/ic302779q","","","0.71073","MoKα","","0.0598","0.0571","","","0.1292","0.1301","","","","","","1.383","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334063","11.7105","0.0002","9.8464","0.0002","16.34","0.0004","90","","90","","90","","1884.1","0.07","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H18 F6 N3 Os P -","- C17 H18 F6 N3 Os P -","- C68 H72 F24 N12 Os4 P4 -","4","1","","Bastien Boff; Christian Gaiddon; Michel Pfeffer","Cancer Cell Cytotoxicity of Cyclometalated Compounds Obtained with Osmium(II) Complexes","Inorganic Chemistry","2013","52","","2705","2715","10.1021/ic302779q","","","0.71073","MoKα","","0.047","0.043","","","0.1248","0.1282","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334064","11.619","0.0003","9.683","0.0003","16.5337","0.0004","90","","90","","90","","1860.15","0.09","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H17 F6 N2 O Os P -","- C17 H17 F6 N2 O Os P -","- C68 H68 F24 N8 O4 Os4 P4 -","4","1","","Bastien Boff; Christian Gaiddon; Michel Pfeffer","Cancer Cell Cytotoxicity of Cyclometalated Compounds Obtained with Osmium(II) Complexes","Inorganic Chemistry","2013","52","","2705","2715","10.1021/ic302779q","","","0.71073","MoKα","","0.0499","0.0463","","","0.1322","0.1355","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334065","9.0078","0.0002","13.9936","0.0006","14.03","0.0005","77.509","0.002","84.338","0.002","73.697","0.002","1655.86","0.1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H26 Cl2 F6 N5 O2 Os P -","- C34 H26 Cl2 F6 N5 O2 Os P -","- C68 H52 Cl4 F12 N10 O4 Os2 P2 -","2","1","","Bastien Boff; Christian Gaiddon; Michel Pfeffer","Cancer Cell Cytotoxicity of Cyclometalated Compounds Obtained with Osmium(II) Complexes","Inorganic Chemistry","2013","52","","2705","2715","10.1021/ic302779q","","","0.71073","MoKα","","0.0489","0.0393","","","0.0956","0.1112","","","","","","1.121","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334066","17.4514","0.0007","20.7576","0.0008","24.993","0.0007","90","","134.063","0.002","90","","6505.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 Cl2 F6 N5 Os P -","- C33 H26 Cl2 F6 N5 Os P -","- C264 H208 Cl16 F48 N40 Os8 P8 -","8","2","","Bastien Boff; Christian Gaiddon; Michel Pfeffer","Cancer Cell Cytotoxicity of Cyclometalated Compounds Obtained with Osmium(II) Complexes","Inorganic Chemistry","2013","52","","2705","2715","10.1021/ic302779q","","","0.71073","MoKα","","0.0516","0.0313","","","0.0549","0.0659","","","","","","1.109","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334067","10.733","0.0003","13.258","0.0003","15.474","0.0005","67.589","0.002","76.747","0.002","71.487","0.002","1915.52","0.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H66 Cl8 Cu6 N14 O60 -","- C28 H18 Cl8 Cu6 N14 O60 -","- C28 H18 Cl8 Cu6 N14 O60 -","1","0.5","","J. Hernández-Gil; N. Ovèjak; S. Ferrer; F. Lloret; A. Castiñeiras","Novel Hexanuclear Copper(II) Complex Built from a Simple Tetrachelating Triazole Ligand: Synthesis, Structure, and Magnetism","Inorganic Chemistry","2013","52","","2289","2291","10.1021/ic3027946","","","0.71073","MoKα","","0.1333","0.094","","","0.2984","0.3329","","","","","","1.144","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334068","11.725","0.0009","13.515","0.0011","16.5799","0.0013","104.351","0.004","94.273","0.004","96.468","0.004","2514.8","0.3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H28 Ag3.5 F9 N8 O14 S3 -","- C30 H28 Ag3.5 F9 N8 O14 S3 -","- C60 H56 Ag7 F18 N16 O28 S6 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine-Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes","Inorganic Chemistry","2013","52","","2716","2728","10.1021/ic3027978","","","0.71069","MoKα","","0.0661","0.055","","","0.156","0.1649","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334069","10.9614","0.0005","14.1662","0.0006","16.4345","0.0007","102.64","0.003","104.898","0.003","100.224","0.003","2331.31","0.19","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H28 F12 N8 O16 Pb2 S4 -","- C31 H28 F12 N8 O16 Pb2 S4 -","- C62 H56 F24 N16 O32 Pb4 S8 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine-Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes","Inorganic Chemistry","2013","52","","2716","2728","10.1021/ic3027978","","","0.71069","MoKα","","0.0685","0.0557","","","0.1484","0.1575","","","","","","1.064","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334070","13.2961","0.0009","13.8546","0.0009","16.5011","0.0012","86.432","0.003","82.154","0.003","73.922","0.003","2892.5","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H37 Cu2 N11 O4 -","- C33 H37 Cu2 N11 O4 -","- C66 H74 Cu4 N22 O8 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine-Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes","Inorganic Chemistry","2013","52","","2716","2728","10.1021/ic3027978","","","0.71073","MoKα","","0.0896","0.0763","","","0.2199","0.2318","","","","","","1.089","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334071","13.3813","0.0005","13.6338","0.0005","14.6157","0.0006","117.66","0.001","92.171","0.001","115.245","0.001","2041.48","0.14","91","2","91","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cl4 N9 O20 Pb2 -","- C29 H31 Cl4 N9 O20 Pb2 -","- C58 H62 Cl8 N18 O40 Pb4 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine-Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes","Inorganic Chemistry","2013","52","","2716","2728","10.1021/ic3027978","","","0.71073","MoKα","","0.0242","0.0202","","","0.0416","0.0432","","","","","","1.032","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334072","11.7789","0.0006","14.4891","0.0007","17.0456","0.0009","92.881","0.003","108.955","0.003","98.791","0.003","2703.5","0.2","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H36 F12 N10 O18 S4 Zn2 -","- C35 H36 F12 N10 O18 S4 Zn2 -","- C70 H72 F24 N20 O36 S8 Zn4 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine-Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes","Inorganic Chemistry","2013","52","","2716","2728","10.1021/ic3027978","","","0.71069","MoKα","","0.1287","0.1055","","","0.2361","0.2511","","","","","","1.116","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334073","10.4633","0.0011","15.6954","0.0016","13.1984","0.0012","90","0.005","106.125","0.004","90","0.005","2082.2","0.4","90","2","90","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C29 H33 B4 F16 N9 O6 Zn2 -","- C29 H33 B4 F16 N9 O6 Zn2 -","- C58 H66 B8 F32 N18 O12 Zn4 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine-Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes","Inorganic Chemistry","2013","52","","2716","2728","10.1021/ic3027978","","","0.71069","MoKα","","0.0415","0.0388","","","0.0876","0.0901","","","","","","1.091","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334074","12.742","0.004","14.056","0.004","15.538","0.004","111.517","0.01","103.767","0.011","104.831","0.011","2326.1","1.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H35 Cl4 Cu2 N11 O20 -","- C33 H35 Cl4 Cu2 N11 O20 -","- C66 H70 Cl8 Cu4 N22 O40 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine-Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes","Inorganic Chemistry","2013","52","","2716","2728","10.1021/ic3027978","","","0.71069","MoKα","","0.0681","0.0549","","","0.1464","0.154","","","","","","1.116","","","","has coordinates,has disorder","179443","2020-10-21","18:00:00",""
"4334075","11.9718","0.0004","12.9367","0.0005","15.4355","0.0006","84.843","0.002","68.834","0.002","79.247","0.002","2189.5","0.14","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H37 Ag2 F6 N11 O10 S2 -","- C35 H37 Ag2 F6 N11 O10 S2 -","- C70 H74 Ag4 F12 N22 O20 S4 -","2","1","","Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti","Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine-Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes","Inorganic Chemistry","2013","52","","2716","2728","10.1021/ic3027978","","","0.71073","MoKα","","0.0496","0.0362","","","0.0889","0.1057","","","","","","1.113","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334076","9.7096","0.0012","10.6095","0.0014","14.018","0.003","101.815","0.003","93.434","0.003","117.157","0.002","1238","0.3","273","2","273","2","","","","","","","","6","P 1","P 1","1","","","","- C39 H32 N6 O20 P4 U3 -","- C39 H32 N6 O20 P4 U3 -","- C39 H32 N6 O20 P4 U3 -","1","1","","Weiting Yang; Tao Tian; Hong-Yue Wu; Qing-Jiang Pan; Song Dang; Zhong-Ming Sun","Syntheses and Structures of a Series of Uranyl Phosphonates and Sulfonates: An Insight into Their Correlations and Discrepancies","Inorganic Chemistry","2013","52","","2736","2743","10.1021/ic302847g","","","0.71073","MoKα","","0.0445","0.0418","","","0.098","0.1","","","","","","1.05","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334077","10.4332","0.0006","16.2774","0.001","20.186","0.0012","71.321","0.001","82.427","0.001","79.93","0.001","3186.9","0.3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H52 N8 O16 P4 U2 Zn2 -","- C60 H52 N8 O16 P4 U2 Zn2 -","- C120 H104 N16 O32 P8 U4 Zn4 -","2","1","","Weiting Yang; Tao Tian; Hong-Yue Wu; Qing-Jiang Pan; Song Dang; Zhong-Ming Sun","Syntheses and Structures of a Series of Uranyl Phosphonates and Sulfonates: An Insight into Their Correlations and Discrepancies","Inorganic Chemistry","2013","52","","2736","2743","10.1021/ic302847g","","","0.71073","MoKα","","0.0662","0.0444","","","0.0998","0.1154","","","","","","0.926","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334078","13.188","0.0011","10.4948","0.0009","21.5361","0.0018","90","","95.999","0.001","90","","2964.4","0.4","106","2","106","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N4 O10 P2 U Zn -","- C24 H20 N4 O10 P2 U Zn -","- C96 H80 N16 O40 P8 U4 Zn4 -","4","1","","Weiting Yang; Tao Tian; Hong-Yue Wu; Qing-Jiang Pan; Song Dang; Zhong-Ming Sun","Syntheses and Structures of a Series of Uranyl Phosphonates and Sulfonates: An Insight into Their Correlations and Discrepancies","Inorganic Chemistry","2013","52","","2736","2743","10.1021/ic302847g","","","0.71073","MoKα","","0.0468","0.0308","","","0.0681","0.0752","","","","","","0.891","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334079","9.2047","0.0007","13.1351","0.0009","16.0557","0.0011","84.29","0.001","83.18","0.001","86.828","0.001","1916","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 N2 O18 S2 U2 -","- C28 H38 N2 O18 S2 U2 -","- C56 H76 N4 O36 S4 U4 -","2","1","","Weiting Yang; Tao Tian; Hong-Yue Wu; Qing-Jiang Pan; Song Dang; Zhong-Ming Sun","Syntheses and Structures of a Series of Uranyl Phosphonates and Sulfonates: An Insight into Their Correlations and Discrepancies","Inorganic Chemistry","2013","52","","2736","2743","10.1021/ic302847g","","","0.71073","MoKα","","0.0759","0.0496","","","0.1092","0.1227","","","","","","0.988","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334080","13.6408","0.0009","20.8488","0.0013","13.914","0.0008","90","","115.99","0.001","90","","3556.9","0.4","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N8 O14 S U2 -","- C32 H23 N8 O13.233 S U2 -","- C128 H92 N32 O52.932 S4 U8 -","4","1","","Weiting Yang; Tao Tian; Hong-Yue Wu; Qing-Jiang Pan; Song Dang; Zhong-Ming Sun","Syntheses and Structures of a Series of Uranyl Phosphonates and Sulfonates: An Insight into Their Correlations and Discrepancies","Inorganic Chemistry","2013","52","","2736","2743","10.1021/ic302847g","","","0.71073","MoKα","","0.0744","0.04","","","0.0637","0.0738","","","","","","1.003","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334081","12.8625","0.0012","13.1683","0.0013","17.2155","0.0017","72.216","0.002","71.658","0.002","71.066","0.001","2550","0.4","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H32 N6 O19 S2 U2 Zn -","- C52 H30 N6 O18.843 S2 U2 Zn -","- C104 H60 N12 O37.686 S4 U4 Zn2 -","2","1","","Weiting Yang; Tao Tian; Hong-Yue Wu; Qing-Jiang Pan; Song Dang; Zhong-Ming Sun","Syntheses and Structures of a Series of Uranyl Phosphonates and Sulfonates: An Insight into Their Correlations and Discrepancies","Inorganic Chemistry","2013","52","","2736","2743","10.1021/ic302847g","","","0.71073","MoKα","","0.0456","0.0311","","","0.0622","0.0685","","","","","","1.013","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334082","15.397","0.008","7.036","0.004","13.178","0.011","90","","124.316","0.005","90","","1179.1","1.3","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C14 H22 N2 Na2 O18 U -","- C14 H6 N2 Na2 O18 U -","- C28 H12 N4 Na4 O36 U2 -","2","0.25","","Chao Xu; Guoxin Tian; Simon J. Teat; Linfeng Rao","Complexation of U(VI) with Dipicolinic Acid: Thermodynamics and Coordination Modes","Inorganic Chemistry","2013","52","","2750","2756","10.1021/ic4000389","","","0.7749","synchtrotron","","0.0338","0.0336","","","0.0891","0.0893","","","","","","1.059","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334083","45.95","0.002","9.1496","0.0005","31.3267","0.0015","90","","124.211","0.001","90","","10891.6","0.9","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H64 Eu6 N8 O34 S8 -","- C88 H52 Eu6 N8 O34 S8 -","- C352 H208 Eu24 N32 O136 S32 -","4","0.5","","Jan Demel; Pavel Kubát; Franck Millange; Jérôme Marrot; Ivana Císařová; Kamil Lang","Lanthanide-Porphyrin Hybrids: from Layered Structures to Metal-Organic Frameworks with Photophysical Properties","Inorganic Chemistry","2013","52","","2779","2786","10.1021/ic400182u","","","0.71073","MoKα","","0.0668","0.0452","","","0.1154","0.1283","","","","","","1.163","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334084","47.1489","0.0012","10.9944","0.0003","28.3561","0.0008","90","","120.563","0.001","90","","12656.9","0.6","150","2","150","2","","","","","","","synthesized by the authors","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H88 Eu6 N8 O47 S8 -","- C88 H88 Eu6 N8 O47 S8 -","- C352 H352 Eu24 N32 O188 S32 -","4","0.5","","Jan Demel; Pavel Kubát; Franck Millange; Jérôme Marrot; Ivana Císařová; Kamil Lang","Lanthanide-Porphyrin Hybrids: from Layered Structures to Metal-Organic Frameworks with Photophysical Properties","Inorganic Chemistry","2013","52","","2779","2786","10.1021/ic400182u","","","0.71073","MoKα","","0.042","0.03","","","0.0683","0.0718","","","","","","0.988","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334085","13.144551","0.000013","5.69496","0.000005","10.24763","0.000009","90","","90","","90","","767.114","0.0012","295","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba Fe O4 Y -","- Ba Fe O4 Y -","- Ba8 Fe8 O32 Y8 -","8","1","","Friederike Wrobel; Moureen C. Kemei; Shahab Derakhshan","Antiferromagnetic Spin Correlations Between Corner-Shared [FeO5]7- and [FeO6]9- Units, in the Novel Iron-Based Compound: BaYFeO4","Inorganic Chemistry","2013","52","","2671","2677","10.1021/ic301040d","powder diffraction","","","","","","","","","","","","","1.88","","","","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334086","11.2651","0.0014","14.3738","0.0014","8.4335","0.001","90","","94.122","0.002","90","","1362","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H39 Cl2 N2 O4 Sc -","- C26 H39 Cl2 N2 O4 Sc -","- C52 H78 Cl4 N4 O8 Sc2 -","2","0.5","","Yu Pan; Tieqi Xu; Guan-Wen Yang; Kun Jin; Xiao-Bing Lu","Bis(oxazolinyl)phenyl-Ligated Rare-Earth-Metal Complexes: Highly Regioselective Catalysts for cis-1,4-Polymerization of Isoprene","Inorganic Chemistry","2013","52","","2802","2808","10.1021/ic300976p","","","0.71073","MoKα","","0.0282","0.0261","","","0.0697","0.071","","","","","","1.056","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334087","11.2272","0.0003","14.6423","0.0003","8.5086","0.0001","90","","94.73","0.002","90","","1393.98","0.05","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H39 Cl2 N2 O4 Y -","- C26 H39 Cl2 N2 O4 Y -","- C52 H78 Cl4 N4 O8 Y2 -","2","0.5","","Yu Pan; Tieqi Xu; Guan-Wen Yang; Kun Jin; Xiao-Bing Lu","Bis(oxazolinyl)phenyl-Ligated Rare-Earth-Metal Complexes: Highly Regioselective Catalysts for cis-1,4-Polymerization of Isoprene","Inorganic Chemistry","2013","52","","2802","2808","10.1021/ic300976p","","","0.71073","MoKα","","0.0283","0.0271","","","0.0587","0.059","","","","","","1.009","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334088","11.2404","0.0017","14.685","0.002","8.5239","0.0017","90","","94.719","0.006","90","","1402.2","0.4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C26 H39 Cl2 Dy N2 O4 -","- C26 H39 Cl2 Dy N2 O4 -","- C52 H78 Cl4 Dy2 N4 O8 -","2","0.5","","Yu Pan; Tieqi Xu; Guan-Wen Yang; Kun Jin; Xiao-Bing Lu","Bis(oxazolinyl)phenyl-Ligated Rare-Earth-Metal Complexes: Highly Regioselective Catalysts for cis-1,4-Polymerization of Isoprene","Inorganic Chemistry","2013","52","","2802","2808","10.1021/ic300976p","","","0.71073","MoKα","","0.0285","0.0258","","","0.0711","0.0777","","","","","","1.134","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334089","13.112","0.002","21.904","0.004","13.254","0.002","90","","96.942","0.003","90","","3778.7","1.1","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C54 H69 Cl2 La Li2 N6 O6 -","- C54 H69 Cl2 La Li2 N6 O6 -","- C108 H138 Cl4 La2 Li4 N12 O12 -","2","1","","Yu Pan; Tieqi Xu; Guan-Wen Yang; Kun Jin; Xiao-Bing Lu","Bis(oxazolinyl)phenyl-Ligated Rare-Earth-Metal Complexes: Highly Regioselective Catalysts for cis-1,4-Polymerization of Isoprene","Inorganic Chemistry","2013","52","","2802","2808","10.1021/ic300976p","","","0.71073","MoKα","","0.1412","0.1126","","","0.2993","0.3334","","","","","","1.114","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334090","4.1673","0.0006","4.1673","0.0006","6.7543","0.0014","90","","90","","120","","101.58","0.03","125","","125","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ge3 Li2 Zn -","- Ge3 Li2 Zn -","- Ge3 Li2 Zn -","1","0.0416667","","Saskia Stegmaier; Thomas F. Fässler","Lithium-Stuffed Diamond Polytype Zn-Tt Structures (Tt = Sn, Ge): The Two Lithium-Zinc-Tetrelides Li3Zn2Sn4 and Li2ZnGe3","Inorganic Chemistry","2013","52","","2809","2816","10.1021/ic3011037","","x-ray","0.71073","MoKα","","0.0184","0.015","","","0.0326","0.0328","","","","","","1.242","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334091","4.5282","0.0002","4.5282","0.0002","22.119","0.002","90","","90","","120","","392.78","0.04","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Li3 Sn4 Zn2 -","- Li3 Sn4 Zn2 -","- Li6 Sn8 Zn4 -","2","0.0833333","","Saskia Stegmaier; Thomas F. Fässler","Lithium-Stuffed Diamond Polytype Zn-Tt Structures (Tt = Sn, Ge): The Two Lithium-Zinc-Tetrelides Li3Zn2Sn4 and Li2ZnGe3","Inorganic Chemistry","2013","52","","2809","2816","10.1021/ic3011037","","x-ray","0.71073","MoKα","","0.0239","0.0231","","","0.0464","0.0467","","","","","","1.58","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334092","7.136","0.001","8.079","0.003","8.522","0.002","90.55","0.02","109.29","0.01","95.35","0.02","461.3","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 F4 Mn N2 O6 -","- C18 H12 F4 Mn N2 O6 -","- C18 H12 F4 Mn N2 O6 -","1","0.5","","Qi Liu; Lili Yu; Ying Wang; Yunzhou Ji; Josip Horvat; Mei-Ling Cheng; Xiaoyan Jia; Guoxiu Wang","Manganese-Based Layered Coordination Polymer: Synthesis, Structural Characterization, Magnetic Property, and Electrochemical Performance in Lithium-Ion Batteries","Inorganic Chemistry","2013","52","","2817","2822","10.1021/ic301579g","","","0.71073","MoKα","","0.0807","0.0609","","","0.1183","0.1243","","","","","","1.018","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334093","18.8306","0.0006","18.8306","0.0006","53.788","0.004","90","","90","","120","","16517.5","1.4","291","2","291","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C13 H7 Cu O5 -","- C13 H7 Cu O5 -","- C234 H126 Cu18 O90 -","18","0.5","","Baishu Zheng; Ruirui Yun; Junfeng Bai; Zhiyong Lu; Liting Du; Yizhi Li","Expanded Porous MOF-505 Analogue Exhibiting Large Hydrogen Storage Capacity and Selective Carbon Dioxide Adsorption","Inorganic Chemistry","2013","52","","2823","2829","10.1021/ic301598n","","","0.71073","MoKα","","0.057","0.0367","","","0.0835","0.0892","","","","","","1.027","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334094","15.694","0.003","8.8836","0.0018","6.7448","0.0013","90","","107.35","0.03","90","","897.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Co Na2 O8 -","- C4 H4 Co Na2 O8 -","- C16 H16 Co4 Na8 O32 -","4","0.5","","Jiong-Peng Zhao; Song-De Han; Ran Zhao; Qian Yang; Ze Chang; Xian-He Bu","Tuning the Structure and Magnetism of Heterometallic Sodium(1+)-Cobalt(2+) Formate Coordination Polymers by Varying the Metal Ratio and Solvents","Inorganic Chemistry","2013","52","","2862","2869","10.1021/ic301936k","","","0.71073","MoKα","","0.0288","0.0252","","","0.0609","0.0626","","","","","","1.202","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334095","9.0327","0.001","9.0327","0.001","9.0327","0.001","90","","90","","90","","736.98","0.14","293","2","293","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H3 Co Na O6 -","- C3 H3 Co Na O6 -","- C12 H12 Co4 Na4 O24 -","4","0.166667","","Jiong-Peng Zhao; Song-De Han; Ran Zhao; Qian Yang; Ze Chang; Xian-He Bu","Tuning the Structure and Magnetism of Heterometallic Sodium(1+)-Cobalt(2+) Formate Coordination Polymers by Varying the Metal Ratio and Solvents","Inorganic Chemistry","2013","52","","2862","2869","10.1021/ic301936k","","","0.71073","MoKα","","0.0135","0.0133","","","0.0346","0.0346","","","","","","1.211","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334096","8.2693","0.0017","8.417","0.0017","12.645","0.003","90.27","0.03","95.85","0.03","100.93","0.03","859.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Co7 N0 Na2 O32 -","- C16 H16 Co7 Na2 O32 -","- C16 H16 Co7 Na2 O32 -","1","0.5","","Jiong-Peng Zhao; Song-De Han; Ran Zhao; Qian Yang; Ze Chang; Xian-He Bu","Tuning the Structure and Magnetism of Heterometallic Sodium(1+)-Cobalt(2+) Formate Coordination Polymers by Varying the Metal Ratio and Solvents","Inorganic Chemistry","2013","52","","2862","2869","10.1021/ic301936k","","","0.71073","MoKα","","0.1362","0.0842","","","0.1464","0.1666","","","","","","1.151","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334097","14.0024","0.0009","15.4647","0.0009","17.0062","0.001","77.94","0.003","68.504","0.003","64.402","0.003","3084.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H62 Cu2 N4 Na4 O30 Zn2 -","- C47 H62 Cu2 N4 Na4 O30 Zn2 -","- C94 H124 Cu4 N8 Na8 O60 Zn4 -","2","1","","Ayan Patra; Tamal K. Sen; Atanu Ghorai; Ghezai T. Musie; Swadhin K. Mandal; Utpal Ghosh; Manindranath Bera","Synthesis, Structure, Spectroscopic Characterization, and Protein Binding Affinity of New Water-Soluble Hetero- and Homometallic Tetranuclear [CuII2ZnII2] and [CuII4] Clusters","Inorganic Chemistry","2013","52","","2880","2890","10.1021/ic302099y","","","0.71073","MoKα","","0.0851","0.0516","","","0.149","0.1675","","","","","","1.035","","","","has coordinates","286259","2023-09-07","06:04:45",""
"4334098","13.9984","0.0009","17.3764","0.0012","18.428","0.0012","109.399","0.004","103.984","0.004","99.382","0.004","3955.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H Cu4 K2 N4 O20 -","- C30.6667 H31.3333 Cu2.66667 K2 N2.66667 O34.3333 -","- C92 H94 Cu8 K6 N8 O103 -","3","1.5","","Ayan Patra; Tamal K. Sen; Atanu Ghorai; Ghezai T. Musie; Swadhin K. Mandal; Utpal Ghosh; Manindranath Bera","Synthesis, Structure, Spectroscopic Characterization, and Protein Binding Affinity of New Water-Soluble Hetero- and Homometallic Tetranuclear [CuII2ZnII2] and [CuII4] Clusters","Inorganic Chemistry","2013","52","","2880","2890","10.1021/ic302099y","","","0.71073","MoKα","","0.1217","0.0697","","","0.1949","0.2441","","","","","","0.997","","","","has coordinates","179443","2020-10-21","18:00:00",""
"4334099","7.1019","0.0011","11.2071","0.0019","16.435","0.002","90","","91.144","0.012","90","","1307.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Cl2 Hg N3 O -","- C11 H9 Cl2 Hg N3 O -","- C44 H36 Cl8 Hg4 N12 O4 -","4","1","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.0543","0.0442","","","0.14","0.1658","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334100","3.933","0.0008","12.012","0.002","15.803","0.003","109.56","0.03","96.68","0.03","98.47","0.03","684.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H8 Cl3 Hg N3 O -","- C11 H8 Cl3 Hg N3 O -","- C22 H16 Cl6 Hg2 N6 O2 -","2","1","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.0487","0.0473","","","0.1152","0.1167","","","","","","1.084","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334101","16.4086","0.0002","13.2074","0.0002","13.1793","0.0002","90","","104.499","0.001","90","","2765.19","0.07","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br Cl2 Hg N3 O -","- C11 H8 Br Cl2 Hg N3 O -","- C88 H64 Br8 Cl16 Hg8 N24 O8 -","8","2","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.0493","0.0288","","","0.0528","0.0574","","","","","","1.036","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334102","16.5955","0.0012","13.4945","0.0007","13.4342","0.0009","90","","104.954","0.006","90","","2906.7","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl2 Hg I N3 O -","- C11 H8 Cl2 Hg I N3 O -","- C88 H64 Cl16 Hg8 I8 N24 O8 -","8","2","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.0692","0.0516","","","0.1239","0.1325","","","","","","1.115","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334103","7.2762","0.001","15.4995","0.0014","12.0093","0.0016","90","","92.121","0.011","90","","1353.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br4 Hg2 N6 O2 -","- C22 H18 Br4 Hg2 N6 O2 -","- C44 H36 Br8 Hg4 N12 O4 -","2","0.5","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.0666","0.0541","","","0.1388","0.1456","","","","","","1.195","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334104","6.7945","0.0004","12.5409","0.0012","33.507","0.002","90","","90","","90","","2855.1","0.4","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Br2 F Hg N3 O -","- C11 H8 Br2 F Hg N3 O -","- C88 H64 Br16 F8 Hg8 N24 O8 -","8","1","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.2127","0.1787","","","0.3595","0.3798","","","","","","1.382","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334105","6.6796","0.0013","13.257","0.003","33.744","0.007","90","","90","","90","","2988.1","1.1","298","2","298","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C11 H8 Br2 Cl Hg N3 O -","- C11 H8 Br2 Cl Hg N3 O -","- C88 H64 Br16 Cl8 Hg8 N24 O8 -","8","","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.065","0.0588","","","0.1411","0.1458","","","","","","1.173","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334106","13.3681","0.0017","6.6595","0.0009","17.1358","0.0018","90","","103.551","0.009","90","","1483","0.3","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C11 H8 Br3 Hg N3 O -","- C11 H8 Br3 Hg N3 O -","- C44 H32 Br12 Hg4 N12 O4 -","4","0.5","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.1032","0.094","","","0.2388","0.2507","","","","","","1.149","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334107","13.681","0.003","6.6901","0.0017","17.162","0.004","90","","104.74","0.018","90","","1519.1","0.6","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C11 H8 Br2 Hg I N3 O -","- C11 H8 Br2 Hg I N3 O -","- C44 H32 Br8 Hg4 I4 N12 O4 -","4","0.5","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.0865","0.0771","","","0.1925","0.2015","","","","","","1.186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334108","7.2849","0.0011","12.5265","0.0014","33.365","0.004","90","","91.415","0.011","90","","3043.8","0.7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Hg2 I4 N6 O2 -","- C22 H18 Hg2 I4 N6 O2 -","- C88 H72 Hg8 I16 N24 O8 -","4","0.5","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.1657","0.1307","","","0.3578","0.3766","","","","","","1.069","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334109","13.609","0.002","6.907","0.001","17.596","0.003","90","","102.494","0.012","90","","1614.8","0.4","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C11 H8 Br Hg I2 N3 O -","- C11 H8 Br Hg I2 N3 O -","- C44 H32 Br4 Hg4 I8 N12 O4 -","4","0.5","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.0728","0.0629","","","0.1753","0.1949","","","","","","1.261","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334110","13.9063","0.0013","6.9034","0.0007","17.5611","0.0017","90","","103.402","0.007","90","","1640","0.3","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C11 H8 Hg I3 N3 O -","- C11 H8 Hg I3 N3 O -","- C44 H32 Hg4 I12 N12 O4 -","4","0.5","","Hamid Reza Khavasi; Alireza Azhdari Tehrani","Influence of Halogen Bonding Interaction on Supramolecular Assembly of Coordination Compounds; Head-to-Tail N...X Synthon Repetitivity","Inorganic Chemistry","2013","52","","2891","2905","10.1021/ic3021113","","","0.71073","MoKα","","0.0524","0.0473","","","0.1257","0.1301","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334111","13.5937","0.0006","17.2601","0.0006","19.777","0.0007","106.087","0.003","96.283","0.003","91.359","0.003","4424.7","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C23.33333 H25 Cl F6 N5.66667 P Ru -","- C23.3333 H25 Cl F6 N5.66667 P Ru -","- C140 H150 Cl6 F36 N34 P6 Ru6 -","6","3","","German E. Pieslinger; Pablo Albores; Leonardo D. Slep; Benjamin J. Coe; Cliff J. Timpson; Luis M. Baraldo","Communication between Remote Moieties in Linear Ru-Ru-Ru Trimetallic Cyanide-Bridged Complexes","Inorganic Chemistry","2013","52","","2906","2917","10.1021/ic302173g","","","0.71069","MoKα","","0.0731","0.0511","","","0.1358","0.1529","","","","","","1.071","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334112","10.3644","0.0007","15.7563","0.0008","17.1816","0.0011","96.306","0.005","105.691","0.006","100.882","0.005","2614","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N6 O4 Ru -","- C26 H28 N6 O4 Ru -","- C104 H112 N24 O16 Ru4 -","4","2","","German E. Pieslinger; Pablo Albores; Leonardo D. Slep; Benjamin J. Coe; Cliff J. Timpson; Luis M. Baraldo","Communication between Remote Moieties in Linear Ru-Ru-Ru Trimetallic Cyanide-Bridged Complexes","Inorganic Chemistry","2013","52","","2906","2917","10.1021/ic302173g","","","0.71073","MoKα","","0.1232","0.0687","","","0.1254","0.1588","","","","","","1.037","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334113","14.2119","0.0004","14.2119","0.0004","18.9069","0.0008","90","","90","","90","","3818.8","0.2","293","2","293","2","","","","","","","","8","P 4/n :2","-P 4a","85","","","","- C66 H68 Cl2 F12 N14 O4 P2 Ru3 -","- C66 H68 Cl2 F12 N14 O4 P2 Ru3 -","- C132 H136 Cl4 F24 N28 O8 P4 Ru6 -","2","0.25","","German E. Pieslinger; Pablo Albores; Leonardo D. Slep; Benjamin J. Coe; Cliff J. Timpson; Luis M. Baraldo","Communication between Remote Moieties in Linear Ru-Ru-Ru Trimetallic Cyanide-Bridged Complexes","Inorganic Chemistry","2013","52","","2906","2917","10.1021/ic302173g","","","0.71073","MoKα","","0.1614","0.0906","","","0.2816","0.3071","","","","","","1.004","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334114","7.6866","0.0009","11.9837","0.0013","12.6489","0.0014","66.64","0.005","86.619","0.005","74.588","0.005","1029.8","0.2","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N5 O5 Re -","- C21 H18 N5 O5 Re -","- C42 H36 N10 O10 Re2 -","2","1","","Shalina C. Bottorff; Adam L. Moore; Ariana R. Wemple; Dejan-Krešimir Bučar; Leonard R. MacGillivray; Paul D. Benny","pH-Controlled Coordination Mode Rearrangements of ""Clickable"" Huisgen-Based Multidentate Ligands with [MI(CO)3]+ (M = Re,99mTc)","Inorganic Chemistry","2013","52","","2939","2950","10.1021/ic302330u","","","0.71073","MoKα","","0.0187","0.0182","","","0.0435","0.0437","","","","","","1.115","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334115","33.026","0.004","6.8209","0.0008","14.1322","0.0015","90","","112.645","0.005","90","","2938.1","0.6","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N2 O5 Re -","- C14 H11 N2 O5 Re -","- C112 H88 N16 O40 Re8 -","8","1","","Shalina C. Bottorff; Adam L. Moore; Ariana R. Wemple; Dejan-Krešimir Bučar; Leonard R. MacGillivray; Paul D. Benny","pH-Controlled Coordination Mode Rearrangements of ""Clickable"" Huisgen-Based Multidentate Ligands with [MI(CO)3]+ (M = Re,99mTc)","Inorganic Chemistry","2013","52","","2939","2950","10.1021/ic302330u","","","0.71073","MoKα","","0.0345","0.0333","","","0.0916","0.093","","","","","","0.965","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334116","14.8352","0.0016","14.5582","0.0016","12.6615","0.0014","90","","103.232","0.005","90","","2662","0.5","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 F3 N5 O8 Re S -","- C23 H21 F3 N5 O8 Re S -","- C92 H84 F12 N20 O32 Re4 S4 -","4","1","","Shalina C. Bottorff; Adam L. Moore; Ariana R. Wemple; Dejan-Krešimir Bučar; Leonard R. MacGillivray; Paul D. Benny","pH-Controlled Coordination Mode Rearrangements of ""Clickable"" Huisgen-Based Multidentate Ligands with [MI(CO)3]+ (M = Re,99mTc)","Inorganic Chemistry","2013","52","","2939","2950","10.1021/ic302330u","","","0.71073","MoKα","","0.0447","0.0276","","","0.0627","0.0672","","","","","","1.063","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334117","12.945","0.005","7.3875","0.0015","9.2658","0.0019","90","","116.64","0.04","90","","792","0.5","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi2 Cl8 Hg3 S2 -","- Bi2 Cl8 Hg3 S2 -","- Bi4 Cl16 Hg6 S4 -","2","0.25","","Arief C. Wibowo; Christos D. Malliakas; Duck Young Chung; Jino Im; Arthur J. Freeman; Mercouri G. Kanatzidis","Mercury Bismuth Chalcohalides, Hg3Q2Bi2Cl8 (Q = S, Se, Te): Syntheses, Crystal Structures, Band Structures, and Optical Properties","Inorganic Chemistry","2013","52","","2973","2979","10.1021/ic3023826","","","0.71069","MoKα","","0.0366","0.0299","","","0.0695","0.0717","","","","","","1.038","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334118","17.483","0.004","7.6838","0.0015","13.415","0.003","90","","104.72","0.03","90","","1743","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Bi2 Cl8 Hg3 Te2 -","- Bi2 Cl8 Hg3 Te2 -","- Bi8 Cl32 Hg12 Te8 -","4","0.5","","Arief C. Wibowo; Christos D. Malliakas; Duck Young Chung; Jino Im; Arthur J. Freeman; Mercouri G. Kanatzidis","Mercury Bismuth Chalcohalides, Hg3Q2Bi2Cl8 (Q = S, Se, Te): Syntheses, Crystal Structures, Band Structures, and Optical Properties","Inorganic Chemistry","2013","52","","2973","2979","10.1021/ic3023826","","","0.71073","MoKα","","0.0373","0.0304","","","0.069","0.0716","","","","","","0.946","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334119","14.3103","0.0009","15.7458","0.0012","16.8983","0.0011","90","","90","","90","","3807.6","0.5","89","2","89","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H40 B Cu F4 N4 -","- C46 H40 B Cu F4 N4 -","- C184 H160 B4 Cu4 F16 N16 -","4","1","","Michael G. Fraser; Holly van der Salm; Scott A. Cameron; Allan G. Blackman; Keith C. Gordon","Heteroleptic Cu(I) Bis-diimine Complexes of 6,6'-Dimesityl-2,2'-bipyridine: A Structural, Theoretical and Spectroscopic Study","Inorganic Chemistry","2013","52","","2980","2992","10.1021/ic302393p","","","0.71073","MoKα","","0.0758","0.0553","","","0.1324","0.1471","","","","","","1.043","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334120","10.9177","0.0013","12.1888","0.0013","13.8626","0.0013","94.36","0.003","101.998","0.003","104.133","0.003","1734.1","0.3","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 B Cu F4 N4 -","- C38 H36 B Cu F4 N4 -","- C76 H72 B2 Cu2 F8 N8 -","2","1","","Michael G. Fraser; Holly van der Salm; Scott A. Cameron; Allan G. Blackman; Keith C. Gordon","Heteroleptic Cu(I) Bis-diimine Complexes of 6,6'-Dimesityl-2,2'-bipyridine: A Structural, Theoretical and Spectroscopic Study","Inorganic Chemistry","2013","52","","2980","2992","10.1021/ic302393p","","","0.71073","MoKα","","0.0798","0.0635","","","0.1693","0.1863","","","","","","0.934","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334121","13.823","0.005","15.613","0.005","21.15","0.005","90","0.005","90","0.005","90","0.005","4565","2","89","2","89","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C46 H54 B Br2 Cu F4 N4 O2 -","- C46 H54 B Br2 Cu F4 N4 O2 -","- C184 H216 B4 Br8 Cu4 F16 N16 O8 -","4","1","","Michael G. Fraser; Holly van der Salm; Scott A. Cameron; Allan G. Blackman; Keith C. Gordon","Heteroleptic Cu(I) Bis-diimine Complexes of 6,6'-Dimesityl-2,2'-bipyridine: A Structural, Theoretical and Spectroscopic Study","Inorganic Chemistry","2013","52","","2980","2992","10.1021/ic302393p","","","0.71069","MoKα","","0.0662","0.0427","","","0.0843","0.0952","","","","","","0.892","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334122","12.347","0.005","18.728","0.005","15.575","0.005","90","0.005","104.273","0.005","90","0.005","3490","2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 B Cu F4 N4 -","- C42 H40 B Cu F4 N4 -","- C168 H160 B4 Cu4 F16 N16 -","4","1","","Michael G. Fraser; Holly van der Salm; Scott A. Cameron; Allan G. Blackman; Keith C. Gordon","Heteroleptic Cu(I) Bis-diimine Complexes of 6,6'-Dimesityl-2,2'-bipyridine: A Structural, Theoretical and Spectroscopic Study","Inorganic Chemistry","2013","52","","2980","2992","10.1021/ic302393p","","","0.71069","MoKα","","0.0686","0.0516","","","0.1344","0.1482","","","","","","1.099","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334123","11.3025","0.0007","16.7526","0.001","18.0086","0.0011","90","","90.633","0.002","90","","3409.7","0.4","89","2","89","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 B Cu F4 N4 -","- C40 H40 B Cu F4 N4 -","- C160 H160 B4 Cu4 F16 N16 -","4","1","","Michael G. Fraser; Holly van der Salm; Scott A. Cameron; Allan G. Blackman; Keith C. Gordon","Heteroleptic Cu(I) Bis-diimine Complexes of 6,6'-Dimesityl-2,2'-bipyridine: A Structural, Theoretical and Spectroscopic Study","Inorganic Chemistry","2013","52","","2980","2992","10.1021/ic302393p","","","0.71073","MoKα","","0.0436","0.038","","","0.0937","0.0978","","","","","","1.023","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334124","9.0475","0.0013","17.263","0.003","30.962","0.005","90","","96.705","0.007","90","","4802.8","1.3","89","2","89","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 B Cu F4 N4 -","- C60 H48 B Cu F4 N4 -","- C240 H192 B4 Cu4 F16 N16 -","4","1","","Michael G. Fraser; Holly van der Salm; Scott A. Cameron; Allan G. Blackman; Keith C. Gordon","Heteroleptic Cu(I) Bis-diimine Complexes of 6,6'-Dimesityl-2,2'-bipyridine: A Structural, Theoretical and Spectroscopic Study","Inorganic Chemistry","2013","52","","2980","2992","10.1021/ic302393p","","","0.71073","MoKα","","0.103","0.0501","","","0.1172","0.1507","","","","","","1.037","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334125","9.1119","0.0008","17.2018","0.0012","30.944","0.002","90","","96.404","0.002","90","","4819.9","0.6","89","2","89","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 B Cu F4 N4 -","- C60 H50 B Cu F4 N4 -","- C240 H200 B4 Cu4 F16 N16 -","4","1","","Michael G. Fraser; Holly van der Salm; Scott A. Cameron; Allan G. Blackman; Keith C. Gordon","Heteroleptic Cu(I) Bis-diimine Complexes of 6,6'-Dimesityl-2,2'-bipyridine: A Structural, Theoretical and Spectroscopic Study","Inorganic Chemistry","2013","52","","2980","2992","10.1021/ic302393p","","","0.71073","MoKα","","0.062","0.0418","","","0.1096","0.1238","","","","","","1.054","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334126","12.332","0.0012","18.013","0.0017","15.619","0.0014","90","","104.342","0.005","90","","3361.4","0.6","89","2","89","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 B Cu F4 N4 -","- C40 H36 B Cu F4 N4 -","- C160 H144 B4 Cu4 F16 N16 -","4","1","","Michael G. Fraser; Holly van der Salm; Scott A. Cameron; Allan G. Blackman; Keith C. Gordon","Heteroleptic Cu(I) Bis-diimine Complexes of 6,6'-Dimesityl-2,2'-bipyridine: A Structural, Theoretical and Spectroscopic Study","Inorganic Chemistry","2013","52","","2980","2992","10.1021/ic302393p","","","0.71069","MoKα","","0.0466","0.0396","","","0.094","0.0986","","","","","","1.048","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334127","12.1536","0.001","12.7685","0.0009","17.6635","0.0014","96.375","0.004","95.645","0.004","94.154","0.003","2701.3","0.4","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C47.8 H78.6 Cl0.55 Co N3 O1.45 P3 Zr -","- C47.8 H78.6 Cl0.55 Co N3 O1.45 P3 Zr -","- C95.6 H157.2 Cl1.1 Co2 N6 O2.9 P6 Zr2 -","2","1","","Jeremy P. Krogman; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis, Structure, and Reactivity of an Anionic Zr-Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex","Inorganic Chemistry","2013","52","","3022","3031","10.1021/ic302473j","","","0.71073","MoKα","","0.0597","0.0432","","0.1091","0.1051","0.1091","","","","","","0.9949","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334128","12.0854","0.0008","12.7432","0.0009","17.8468","0.0012","95.27","0.005","94.998","0.004","92.76","0.004","2722.1","0.3","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C46 H76 Co N3 O2 P3 Zr -","- C46 H76 Co N3 O2 P3 Zr -","- C92 H152 Co2 N6 O4 P6 Zr2 -","2","1","","Jeremy P. Krogman; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis, Structure, and Reactivity of an Anionic Zr-Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex","Inorganic Chemistry","2013","52","","3022","3031","10.1021/ic302473j","","","0.71073","MoKα","","0.0764","0.0451","","0.0925","0.083","0.0925","","","","","","0.9489","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334129","15.1189","0.0011","37.531","0.003","23.0515","0.0017","90","","100.636","0.004","90","","12855.3","1.7","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H102 Co N5 O3 P3 Zr -","- C59 H102 Co N5 O3 P3 Zr -","- C472 H816 Co8 N40 O24 P24 Zr8 -","8","2","","Jeremy P. Krogman; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis, Structure, and Reactivity of an Anionic Zr-Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex","Inorganic Chemistry","2013","52","","3022","3031","10.1021/ic302473j","","","0.71073","MoKα","","0.0698","0.0389","","0.102","0.0877","0.102","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334130","12.7292","0.0003","13.7969","0.0004","19.1839","0.0005","89.695","0.001","87.644","0.001","64.212","0.001","3030.75","0.14","120","","120","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H99 Co Li N3 O5 P3 Zr -","- C58 H99 Co Li N3 O5 P3 Zr -","- C116 H198 Co2 Li2 N6 O10 P6 Zr2 -","2","1","","Jeremy P. Krogman; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis, Structure, and Reactivity of an Anionic Zr-Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex","Inorganic Chemistry","2013","52","","3022","3031","10.1021/ic302473j","","","0.71073","MoKα","","0.0515","0.0338","","0.0908","0.0782","0.0908","","","","","","0.9608","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334131","12.1064","0.0003","28.0611","0.0007","18.404","0.0005","90","","93.963","0.001","90","","6237.2","0.3","120","","120","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C58 H101 Co Li N3 O7 P3 Zr -","- C58 H101 Co Li N3 O7 P3 Zr -","- C232 H404 Co4 Li4 N12 O28 P12 Zr4 -","4","1","","Jeremy P. Krogman; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis, Structure, and Reactivity of an Anionic Zr-Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex","Inorganic Chemistry","2013","52","","3022","3031","10.1021/ic302473j","","","0.71073","MoKα","","0.0464","0.0313","","0.0767","0.0712","0.0767","","","","","","0.9777","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334132","12.095","0.002","12.702","0.003","17.632","0.003","95.941","0.011","95.477","0.012","94.049","0.011","2673.1","0.9","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H88 Co N3 O3 P3 Zr -","- C51 H88 Co N3 O3 P3 Zr -","- C102 H176 Co2 N6 O6 P6 Zr2 -","2","1","","Jeremy P. Krogman; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis, Structure, and Reactivity of an Anionic Zr-Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex","Inorganic Chemistry","2013","52","","3022","3031","10.1021/ic302473j","","","0.71073","MoKα","","0.1335","0.0748","","0.2089","0.1794","0.2089","","","","","","0.9454","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334133","11.8774","0.0005","11.8774","0.0005","129.387","0.006","90","","90","","120","","15807.5","1.2","120","","120","","","","","","","","","9","R -3 c :H","-R 3 2""c","167","","","","- C48.95 H84 Co I0.05 N3 O1.95 P3 Si Zr -","- C48.954 H84 Co I0.046 N3 O1.954 P3 Si Zr -","- C587.448 H1008 Co12 I0.552 N36 O23.448 P36 Si12 Zr12 -","12","0.333333","","Jeremy P. Krogman; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis, Structure, and Reactivity of an Anionic Zr-Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex","Inorganic Chemistry","2013","52","","3022","3031","10.1021/ic302473j","","","0.71073","MoKα","","0.0575","0.0382","","0.0927","0.0817","0.0927","","","","","","0.9701","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4334134","12.6171","0.0006","12.1454","0.0006","38.0195","0.0016","90","","99.102","0.003","90","","5752.7","0.5","120","","120","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C55.5 H96 Co N3 O3 P3 Zr -","- C55.5 H96 Co N3 O3 P3 Zr -","- C222 H384 Co4 N12 O12 P12 Zr4 -","4","1","","Jeremy P. Krogman; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis, Structure, and Reactivity of an Anionic Zr-Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex","Inorganic Chemistry","2013","52","","3022","3031","10.1021/ic302473j","","","0.71073","MoKα","","0.0794","0.0453","","0.0872","0.0788","0.0872","","","","","","0.9509","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334135","12.4846","0.0009","23.8696","0.0016","24.348","0.0018","90","","101.145","0.003","90","","7118.9","0.9","120","","120","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C64.93 H105 Co I0.07 K N3 O9.93 P3 Zr -","- C64.925 H105 Co I0.075 K N3 O9.925 P3 Zr -","- C259.7 H420 Co4 I0.3 K4 N12 O39.7 P12 Zr4 -","4","1","","Jeremy P. Krogman; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis, Structure, and Reactivity of an Anionic Zr-Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex","Inorganic Chemistry","2013","52","","3022","3031","10.1021/ic302473j","","","0.71073","MoKα","","0.0775","0.0521","","0.1305","0.1197","0.1305","","","","","","1.0099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334136","27.8782","0.001","15.4505","0.0006","26.3093","0.0012","90","","90","","90","","11332.3","0.8","120","","120","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C52 H90 Cl Co N3 O2.5 P3 Zr -","- C52 H90 Cl Co N3 O2.5 P3 Zr -","- C416 H720 Cl8 Co8 N24 O20 P24 Zr8 -","8","1","","Jeremy P. Krogman; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Synthesis, Structure, and Reactivity of an Anionic Zr-Oxo Relevant to CO2 Reduction by a Zr/Co Heterobimetallic Complex","Inorganic Chemistry","2013","52","","3022","3031","10.1021/ic302473j","","","0.71073","MoKα","","0.0708","0.0382","","0.0805","0.0745","0.0805","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334137","22.554","0.003","12.727","0.0019","23.939","0.004","90","","94.797","0.003","90","","6847.5","1.8","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C75 H74 B Cl N O4 Os P3 -","- C75 H74 B Cl N O4 Os P3 -","- C300 H296 B4 Cl4 N4 O16 Os4 P12 -","4","1","","Gabriele Albertin; Stefano Antoniutti; Laura Bonaldo; Alessandra Botter; Jesús Castro","Azo Complexes of Osmium(II): Preparation and Reactivity of Organic Azide and Hydrazine Derivatives","Inorganic Chemistry","2013","52","","2870","2879","10.1021/ic302483e","","","0.71073","MoKα","","0.235","0.0714","","","0.1637","0.24","","","","","","0.966","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334138","17.808","0.006","10.058","0.004","24.423","0.009","90","","110.671","0.005","90","","4093","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H48 Cl O4 Os P3 -","- C43 H48 Cl O4 Os P3 -","- C172 H192 Cl4 O16 Os4 P12 -","4","1","","Gabriele Albertin; Stefano Antoniutti; Laura Bonaldo; Alessandra Botter; Jesús Castro","Azo Complexes of Osmium(II): Preparation and Reactivity of Organic Azide and Hydrazine Derivatives","Inorganic Chemistry","2013","52","","2870","2879","10.1021/ic302483e","","","0.71073","MoKα","","0.0458","0.0306","","","0.0703","0.079","","","","","","1.038","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334139","10.858","0.005","12.779","0.005","14.569","0.005","67.169","0.005","85.806","0.005","78.902","0.005","1828.3","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H18 Cl2 Mo2 N8 O3 S4 -","- C33 H18 Cl2 Mo2 N8 O3 S4 -","- C66 H36 Cl4 Mo4 N16 O6 S8 -","2","1","","Joyee Mitra; Sabyasachi Sarkar","Oxo-Mo(IV)(dithiolene)thiolato Complexes: Analogue of Reduced Sulfite Oxidase","Inorganic Chemistry","2013","52","","3032","3042","10.1021/ic302485c","","","0.71069","MoKα","","0.1028","0.0654","","","0.1664","0.2608","","","","","","1.082","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334140","9.525","0.005","19.323","0.005","23.062","0.005","79.016","0.005","83.351","0.005","77.31","0.005","4053","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H51 Cl2 Mo N5 O S3 -","- C37 H51 Cl2 Mo N5 O S3 -","- C148 H204 Cl8 Mo4 N20 O4 S12 -","4","2","","Joyee Mitra; Sabyasachi Sarkar","Oxo-Mo(IV)(dithiolene)thiolato Complexes: Analogue of Reduced Sulfite Oxidase","Inorganic Chemistry","2013","52","","3032","3042","10.1021/ic302485c","","","0.71069","MoKα","","0.1099","0.0811","","","0.2236","0.312","","","","","","1.147","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334141","8.981","0.005","12.17","0.005","19.631","0.005","84.521","0.005","84.034","0.005","79.187","0.005","2089.8","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H49 Mo N5 O S3 -","- C38 H49 Mo N5 O S3 -","- C76 H98 Mo2 N10 O2 S6 -","2","1","","Joyee Mitra; Sabyasachi Sarkar","Oxo-Mo(IV)(dithiolene)thiolato Complexes: Analogue of Reduced Sulfite Oxidase","Inorganic Chemistry","2013","52","","3032","3042","10.1021/ic302485c","","","0.71069","MoKα","","0.0701","0.0572","","","0.1449","0.1532","","","","","","1.062","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334142","9.41","0.005","19.648","0.005","24.879","0.005","74.546","0.005","82.284","0.005","76.736","0.005","4302","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H53 Cl2 Mo N5 O S3 -","- C41 H53 Cl2 Mo N5 O S3 -","- C164 H212 Cl8 Mo4 N20 O4 S12 -","4","2","","Joyee Mitra; Sabyasachi Sarkar","Oxo-Mo(IV)(dithiolene)thiolato Complexes: Analogue of Reduced Sulfite Oxidase","Inorganic Chemistry","2013","52","","3032","3042","10.1021/ic302485c","","","0.71069","MoKα","","0.1124","0.0724","","","0.1975","0.2707","","","","","","1.004","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334143","11.504","0.005","17.514","0.005","21.047","0.005","88.844","0.005","88.841","0.005","87.704","0.005","4236","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H51 Mo N5 O S3 -","- C84 H102 Mo2 N10 O2 S6 -","- C168 H204 Mo4 N20 O4 S12 -","2","1","","Joyee Mitra; Sabyasachi Sarkar","Oxo-Mo(IV)(dithiolene)thiolato Complexes: Analogue of Reduced Sulfite Oxidase","Inorganic Chemistry","2013","52","","3032","3042","10.1021/ic302485c","","","0.71069","MoKα","","0.1022","0.073","","","0.1993","0.2588","","","","","","1.04","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334144","9.209","0.005","12.373","0.005","19.815","0.005","72.792","0.005","77.408","0.005","79.866","0.005","2089.7","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H50 Cl3 Mo N5 O S3 -","- C37 H50 Cl3 Mo N5 O S3 -","- C74 H100 Cl6 Mo2 N10 O2 S6 -","2","1","","Joyee Mitra; Sabyasachi Sarkar","Oxo-Mo(IV)(dithiolene)thiolato Complexes: Analogue of Reduced Sulfite Oxidase","Inorganic Chemistry","2013","52","","3032","3042","10.1021/ic302485c","","","0.71069","MoKα","","0.105","0.0843","","","0.2266","0.2502","","","","","","1.138","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334145","9.395","0.005","12.62","0.005","20.057","0.005","72.033","0.005","83.842","0.005","79.266","0.005","2219.3","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H54 Cl2 Mo N5 O3 S3 -","- C41 H54 Cl2 Mo N5 O3 S3 -","- C82 H108 Cl4 Mo2 N10 O6 S6 -","2","1","","Joyee Mitra; Sabyasachi Sarkar","Oxo-Mo(IV)(dithiolene)thiolato Complexes: Analogue of Reduced Sulfite Oxidase","Inorganic Chemistry","2013","52","","3032","3042","10.1021/ic302485c","","","0.71069","MoKα","","0.0864","0.0626","","","0.171","0.2381","","","","","","1.021","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334146","9.137","0.005","12.491","0.005","17.753","0.005","84.855","0.005","80.708","0.005","83.074","0.005","1979.9","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H49 Mo N5 O3 S3 -","- C39 H49 Mo N5 O3 S3 -","- C78 H98 Mo2 N10 O6 S6 -","2","1","","Joyee Mitra; Sabyasachi Sarkar","Oxo-Mo(IV)(dithiolene)thiolato Complexes: Analogue of Reduced Sulfite Oxidase","Inorganic Chemistry","2013","52","","3032","3042","10.1021/ic302485c","","","0.71069","MoKα","","0.0641","0.049","","","0.1208","0.1494","","","","","","0.878","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334147","9.07","0.005","12.427","0.005","19.876","0.005","72.366","0.005","77.182","0.005","79.775","0.005","2067.1","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H50 Cl2 Mo N6 O3 S3 -","- C37 H50 Cl2 Mo N6 O3 S3 -","- C74 H100 Cl4 Mo2 N12 O6 S6 -","2","1","","Joyee Mitra; Sabyasachi Sarkar","Oxo-Mo(IV)(dithiolene)thiolato Complexes: Analogue of Reduced Sulfite Oxidase","Inorganic Chemistry","2013","52","","3032","3042","10.1021/ic302485c","","","0.71069","MoKα","","0.122","0.1027","","","0.2653","0.2842","","","","","","1.093","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334148","10.981","0.005","12.218","0.005","18.179","0.005","87.666","0.005","89.071","0.005","78.301","0.005","2386.3","1.6","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H36 Cl4 Mo N5 O3 P S3 -","- C48 H36 Cl4 Mo N5 O3 P S3 -","- C96 H72 Cl8 Mo2 N10 O6 P2 S6 -","2","1","","Joyee Mitra; Sabyasachi Sarkar","Oxo-Mo(IV)(dithiolene)thiolato Complexes: Analogue of Reduced Sulfite Oxidase","Inorganic Chemistry","2013","52","","3032","3042","10.1021/ic302485c","","","0.71069","MoKα","","0.0641","0.0533","","","0.1604","0.1938","","","","","","0.819","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334149","13.3779","0.0005","14.0391","0.0006","34.5248","0.0014","90","","96.731","0.002","90","","6439.5","0.5","155","2","155","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H106 B Cl O P4 Ru -","- C70 H106 B Cl O P4 Ru -","- C280 H424 B4 Cl4 O4 P16 Ru4 -","4","1","","Ryan Gilbert-Wilson; Leslie D. Field; Stephen B. Colbran; Mohan M. Bhadbhade","Low Oxidation State Iron(0), Iron(I), and Ruthenium(0) Dinitrogen Complexes with a Very Bulky Neutral Phosphine Ligand","Inorganic Chemistry","2013","52","","3043","3053","10.1021/ic3024953","","","0.71073","MoKα","","0.0973","0.0485","","","0.1183","0.1511","","","","","","0.876","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334150","13.669","0.003","13.689","0.003","14.026","0.003","96.14","0.03","96.77","0.03","119.69","0.03","2222.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H81 Fe N2 P4 -","- C45 H81 Fe N2 P4 -","- C90 H162 Fe2 N4 P8 -","2","1","","Ryan Gilbert-Wilson; Leslie D. Field; Stephen B. Colbran; Mohan M. Bhadbhade","Low Oxidation State Iron(0), Iron(I), and Ruthenium(0) Dinitrogen Complexes with a Very Bulky Neutral Phosphine Ligand","Inorganic Chemistry","2013","52","","3043","3053","10.1021/ic3024953","","","0.71073","Synchrotron","","0.046","0.0436","","","0.1087","0.1105","","","","","","1.042","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334151","13.636","0.0005","14.2697","0.0005","23.6883","0.0007","90","","90.559","0.001","90","","4609.1","0.3","152","2","152","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H84 N2 P4 Ru -","- C44.5 H84 N2 P4 Ru -","- C178 H336 N8 P16 Ru4 -","4","1","","Ryan Gilbert-Wilson; Leslie D. Field; Stephen B. Colbran; Mohan M. Bhadbhade","Low Oxidation State Iron(0), Iron(I), and Ruthenium(0) Dinitrogen Complexes with a Very Bulky Neutral Phosphine Ligand","Inorganic Chemistry","2013","52","","3043","3053","10.1021/ic3024953","","","0.71073","MoKα","","0.039","0.0268","","","0.0614","0.067","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334152","12.7369","0.0011","14.099","0.0013","17.5151","0.0017","79.842","0.005","75.048","0.005","83.82","0.005","2984.8","0.5","154","2","154","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H96 B Fe N2 P4 -","- C66 H96 B Fe N2 P4 -","- C132 H192 B2 Fe2 N4 P8 -","2","1","","Ryan Gilbert-Wilson; Leslie D. Field; Stephen B. Colbran; Mohan M. Bhadbhade","Low Oxidation State Iron(0), Iron(I), and Ruthenium(0) Dinitrogen Complexes with a Very Bulky Neutral Phosphine Ligand","Inorganic Chemistry","2013","52","","3043","3053","10.1021/ic3024953","","","0.71073","MoKα","","0.1491","0.0696","","","0.176","0.2126","","","","","","1.122","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334153","13.905","0.002","26.16","0.005","14.691","0.003","90","","114.028","0.008","90","","4880.9","1.6","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H83 Cl P4 Ru -","- C44.5 H83 Cl P4 Ru -","- C178 H332 Cl4 P16 Ru4 -","4","1","","Ryan Gilbert-Wilson; Leslie D. Field; Stephen B. Colbran; Mohan M. Bhadbhade","Low Oxidation State Iron(0), Iron(I), and Ruthenium(0) Dinitrogen Complexes with a Very Bulky Neutral Phosphine Ligand","Inorganic Chemistry","2013","52","","3043","3053","10.1021/ic3024953","","","0.71073","MoKα","","0.1778","0.0715","","","0.1636","0.2152","","","","","","0.999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334154","13.7011","0.0009","16.1969","0.0011","19.7521","0.0013","80.32","0.003","83.021","0.003","78.371","0.003","4214.7","0.5","155","2","155","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H80 Fe P4 -","- C42 H80 Fe P4 -","- C168 H320 Fe4 P16 -","4","2","","Ryan Gilbert-Wilson; Leslie D. Field; Stephen B. Colbran; Mohan M. Bhadbhade","Low Oxidation State Iron(0), Iron(I), and Ruthenium(0) Dinitrogen Complexes with a Very Bulky Neutral Phosphine Ligand","Inorganic Chemistry","2013","52","","3043","3053","10.1021/ic3024953","","","0.71073","MoKα","","0.0789","0.0409","","","0.0825","0.097","","","","","","0.986","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334155","10.164","0.002","13.584","0.003","18.239","0.004","85.44","0.03","78.68","0.03","83.89","0.03","2450.8","0.9","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H166 B2 F8 Fe2 N4 O P8 -","- C88 H166 B2 F8 Fe2 N4 O P8 -","- C88 H166 B2 F8 Fe2 N4 O P8 -","1","0.5","","Ryan Gilbert-Wilson; Leslie D. Field; Stephen B. Colbran; Mohan M. Bhadbhade","Low Oxidation State Iron(0), Iron(I), and Ruthenium(0) Dinitrogen Complexes with a Very Bulky Neutral Phosphine Ligand","Inorganic Chemistry","2013","52","","3043","3053","10.1021/ic3024953","","","0.71073","Synchrotron","","0.0849","0.0717","","","0.1985","0.2077","","","","","","1.13","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334156","10.3846","0.0003","13.8215","0.0004","18.2337","0.0006","84.119","0.001","75.735","0.001","86.297","0.001","2520.95","0.13","155","2","155","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H82 B F4 N2 O P4 Ru -","- C44 H82.378 B F4 N2 O0.5 P4 Ru -","- C88 H164.756 B2 F8 N4 O P8 Ru2 -","2","1","","Ryan Gilbert-Wilson; Leslie D. Field; Stephen B. Colbran; Mohan M. Bhadbhade","Low Oxidation State Iron(0), Iron(I), and Ruthenium(0) Dinitrogen Complexes with a Very Bulky Neutral Phosphine Ligand","Inorganic Chemistry","2013","52","","3043","3053","10.1021/ic3024953","","","0.71073","MoKα","","0.0403","0.036","","","0.1015","0.1058","","","","","","1.06","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334157","19.3953","0.0006","23.6891","0.0007","26.5521","0.001","90","","90","","90","","12199.6","0.7","100","2","100","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Cu2 N8 O41 Si W12 -","- C32 H44 Cu2 N8 O41 Si W12 -","- C256 H352 Cu16 N64 O328 Si8 W96 -","8","1","","Amaia Iturrospe; Beñat Artetxe; Santiago Reinoso; Leire San Felices; Pablo Vitoria; Luis Lezama; Juan M. Gutiérrez-Zorrilla","Copper(II) Complexes of Tetradentate Pyridyl Ligands Supported on Keggin Polyoxometalates: Single-Crystal to Single-Crystal Transformations Promoted by Reversible Dehydration Processes","Inorganic Chemistry","2013","52","","3084","3093","10.1021/ic302499f","","x-ray","0.71073","MoKα","","0.0925","0.059","","","0.1065","0.1119","","","","","","1.091","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334158","10.9853","0.0002","12.0992","0.0003","24.701","0.0006","90","","96.104","0.002","90","","3264.48","0.13","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Cu2 N8 O45 Si W12 -","- C34 H48 Cu2 N8 O45 Si W12 -","- C68 H96 Cu4 N16 O90 Si2 W24 -","2","0.5","","Amaia Iturrospe; Beñat Artetxe; Santiago Reinoso; Leire San Felices; Pablo Vitoria; Luis Lezama; Juan M. Gutiérrez-Zorrilla","Copper(II) Complexes of Tetradentate Pyridyl Ligands Supported on Keggin Polyoxometalates: Single-Crystal to Single-Crystal Transformations Promoted by Reversible Dehydration Processes","Inorganic Chemistry","2013","52","","3084","3093","10.1021/ic302499f","","x-ray","0.71073","MoKα","","0.0564","0.041","","","0.0818","0.0847","","","","","","1.098","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334159","19.2671","0.0003","23.9764","0.0004","26.6345","0.0005","90","","90","","90","","12304","0.4","423","2","423","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C32 H40 Cu2 N8 O40 Si W12 -","- C32 H40 Cu2 N8 O40 Si W12 -","- C256 H320 Cu16 N64 O320 Si8 W96 -","8","1","","Amaia Iturrospe; Beñat Artetxe; Santiago Reinoso; Leire San Felices; Pablo Vitoria; Luis Lezama; Juan M. Gutiérrez-Zorrilla","Copper(II) Complexes of Tetradentate Pyridyl Ligands Supported on Keggin Polyoxometalates: Single-Crystal to Single-Crystal Transformations Promoted by Reversible Dehydration Processes","Inorganic Chemistry","2013","52","","3084","3093","10.1021/ic302499f","","","0.71073","MoKα","","0.0804","0.0678","","","0.1285","0.1334","","","","","","1.31","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334160","11.0092","0.0007","12.0532","0.0007","24.1712","0.0017","90","","98.403","0.006","90","","3173","0.4","423","2","423","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 Cu2 N8 O40 Si W12 -","- C34 H48 Cu2 N8 O40 Si W12 -","- C68 H96 Cu4 N16 O80 Si2 W24 -","2","0.5","","Amaia Iturrospe; Beñat Artetxe; Santiago Reinoso; Leire San Felices; Pablo Vitoria; Luis Lezama; Juan M. Gutiérrez-Zorrilla","Copper(II) Complexes of Tetradentate Pyridyl Ligands Supported on Keggin Polyoxometalates: Single-Crystal to Single-Crystal Transformations Promoted by Reversible Dehydration Processes","Inorganic Chemistry","2013","52","","3084","3093","10.1021/ic302499f","","","0.71073","","","0.0817","0.0595","","","0.1749","0.2033","","","","","","1.071","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334161","19.4645","0.0002","23.77","0.0003","26.6287","0.0003","90","","90","","90","","12320.3","0.2","100","2","100","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Cu2 N8 O41 Si W12 -","- C32 H44 Cu2 N8 O41 Si W12 -","- C256 H352 Cu16 N64 O328 Si8 W96 -","8","1","","Amaia Iturrospe; Beñat Artetxe; Santiago Reinoso; Leire San Felices; Pablo Vitoria; Luis Lezama; Juan M. Gutiérrez-Zorrilla","Copper(II) Complexes of Tetradentate Pyridyl Ligands Supported on Keggin Polyoxometalates: Single-Crystal to Single-Crystal Transformations Promoted by Reversible Dehydration Processes","Inorganic Chemistry","2013","52","","3084","3093","10.1021/ic302499f","","","0.71073","MoKα","","0.0765","0.0636","","","0.106","0.1101","","","","","","1.258","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334162","24.531","0.004","16.631","0.002","16.071","0.002","90","","100.779","0.003","90","","6440.9","1.5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H98 O3 Pb S2 -","- C72 H98 O3 Pb S2 -","- C288 H392 O12 Pb4 S8 -","4","0.5","","Brian D. Rekken; Thomas M. Brown; Marilyn M. Olmstead; James C. Fettinger; Philip P. Power","Stable Plumbylene Dichalcogenolate Monomers with Large Differences in Their Interligand Angles and the Synthesis and Characterization of a Monothiolato Pb(II) Bromide and Lithium Trithiolato Plumbate","Inorganic Chemistry","2013","52","","3054","3062","10.1021/ic302513c","","","0.71073","MoKα","","0.0418","0.033","","","0.0759","0.0775","","","","","","1.096","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334163","13.2474","0.0005","20.2689","0.0007","13.986","0.0005","90","","108.519","0.001","90","","3560.9","0.2","90","2","90","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C86 H91 Li Pb S3 -","- C86 H91 Li Pb S3 -","- C172 H182 Li2 Pb2 S6 -","2","0.5","","Brian D. Rekken; Thomas M. Brown; Marilyn M. Olmstead; James C. Fettinger; Philip P. Power","Stable Plumbylene Dichalcogenolate Monomers with Large Differences in Their Interligand Angles and the Synthesis and Characterization of a Monothiolato Pb(II) Bromide and Lithium Trithiolato Plumbate","Inorganic Chemistry","2013","52","","3054","3062","10.1021/ic302513c","","","0.71073","MoKα","","0.0243","0.0217","","","0.0494","0.0504","","","","","","1.097","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334164","8.8927","0.0008","40.868","0.004","13.0063","0.0012","90","","92.323","0.005","90","","4723","0.8","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H54 Br2 Pb2 S2 -","- C51.5 H54 Br2 Pb2 S2 -","- C206 H216 Br8 Pb8 S8 -","4","1","","Brian D. Rekken; Thomas M. Brown; Marilyn M. Olmstead; James C. Fettinger; Philip P. Power","Stable Plumbylene Dichalcogenolate Monomers with Large Differences in Their Interligand Angles and the Synthesis and Characterization of a Monothiolato Pb(II) Bromide and Lithium Trithiolato Plumbate","Inorganic Chemistry","2013","52","","3054","3062","10.1021/ic302513c","","","0.71073","MoKα","","0.0289","0.0249","","","0.0491","0.05","","","","","","1.176","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334165","16.874","0.0014","19.5017","0.0017","33.268","0.003","96.326","0.004","92.024","0.005","91.391","0.005","10869.7","1.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C248 H316 O10 Pb4 -","- C248 H316 O10 Pb4 -","- C496 H632 O20 Pb8 -","2","1","","Brian D. Rekken; Thomas M. Brown; Marilyn M. Olmstead; James C. Fettinger; Philip P. Power","Stable Plumbylene Dichalcogenolate Monomers with Large Differences in Their Interligand Angles and the Synthesis and Characterization of a Monothiolato Pb(II) Bromide and Lithium Trithiolato Plumbate","Inorganic Chemistry","2013","52","","3054","3062","10.1021/ic302513c","","","0.71073","MoKα","","0.0331","0.0247","","","0.0567","0.0596","","","","","","1.011","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334166","11.9","0.0008","19.5305","0.0013","20.4598","0.0013","101.122","0.004","90.588","0.004","99.922","0.004","4591.4","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H52 Cl2 N4 O6 P2 -","- C47 H52 Cl2 N4 O6 P2 -","- C188 H208 Cl8 N16 O24 P8 -","4","2","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.1419","0.0705","","","0.1612","0.1935","","","","","","1.026","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4334167","10.6641","0.0005","14.2715","0.0006","16.8816","0.0009","106.043","0.003","99.9","0.004","109.529","0.004","2225.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 N2 O3 P -","- C24 H27 N2 O3 P -","- C96 H108 N8 O12 P4 -","4","2","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.1053","0.0538","","","0.1119","0.1335","","","","","","1.038","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334168","22.2182","0.0016","15.4755","0.0012","10.8569","0.0009","90","","90","","90","","3733","0.5","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C41 H45 N3 O5 P2 -","- C41 H45 N3 O5 P2 -","- C164 H180 N12 O20 P8 -","4","0.5","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.0908","0.0515","","","0.098","0.1124","","","","","","1.024","","","","has coordinates","270822","2021-11-23","08:36:48",""
"4334169","22.2568","0.0018","15.4841","0.0013","10.8479","0.0008","90","","90","","90","","3738.5","0.5","173","2","173","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C41 H45 N3 O5 P2 -","- C41 H45 N3 O5 P2 -","- C164 H180 N12 O20 P8 -","4","0.5","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.0352","0.03","","","0.0726","0.0757","","","","","","1.024","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4334170","16.6644","0.0006","13.7022","0.0006","37.1178","0.0015","90","","110.629","0.003","90","","7932","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 N3 O4 P2 -","- C43 H49 N3 O4 P2 -","- C344 H392 N24 O32 P16 -","8","2","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.1759","0.0996","","","0.2522","0.3051","","","","","","1.685","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4334171","19.6493","0.0013","9.3662","0.0006","19.4848","0.0011","90","","115.749","0.004","90","","3229.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 N5 O13 P Pr -","- C26 H31 N5 O13 P Pr -","- C104 H124 N20 O52 P4 Pr4 -","4","1","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.1565","0.0954","","","0.191","0.2132","","","","","","1.145","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4334172","10.933","0.003","17.548","0.005","18.038","0.005","99.746","0.009","105.245","0.008","91.715","0.007","3280.6","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H62 N10 O26 P2 Pr2 -","- C50 H62 N10 O26 P2 Pr2 -","- C100 H124 N20 O52 P4 Pr4 -","2","1","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.1508","0.0734","","","0.1585","0.1844","","","","","","0.917","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4334173","18.5482","0.0007","22.6173","0.001","22.8902","0.0008","90","","90","","90","","9602.7","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C173 H201.4 Eu4 N24 O60.2 P8 -","- C173 H201.4 Eu4 N24 O60.2 P8 -","- C346 H402.8 Eu8 N48 O120.4 P16 -","2","0.25","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.1149","0.0619","","","0.136","0.1625","","","","","","1.031","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4334174","22.5122","0.001","18.6045","0.0008","22.7679","0.001","90","","90","","90","","9535.8","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H45 N6 O14 P2 Pr -","- C41 H45 N6 O14 P2 Pr -","- C328 H360 N48 O112 P16 Pr8 -","8","1","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.0546","0.0367","","","0.0956","0.1017","","","","","","1.136","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334175","14.1511","0.0004","20.7534","0.0005","17.7301","0.0004","90","","111.823","0.001","90","","4833.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 Er N6 O15 P2 -","- C44 H51 Er N6 O15 P2 -","- C176 H204 Er4 N24 O60 P8 -","4","1","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.0497","0.0325","","","0.0653","0.0716","","","","","","1.041","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334176","9.7694","0.0008","22.468","0.002","22.2659","0.0018","90","","93.186","0.004","90","","4879.8","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H51.8 Er N6 O16.4 P2 -","- C42 H51.8 Er N6 O16.4 P2 -","- C168 H207.2 Er4 N24 O65.6 P8 -","4","1","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.0495","0.0305","","","0.0583","0.0647","","","","","","1.013","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4334177","14.1707","0.0004","20.7602","0.0006","17.7183","0.0005","90","","111.867","0.001","90","","4837.5","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 Dy N6 O15 P2 -","- C44 H51 Dy N6 O15 P2 -","- C176 H204 Dy4 N24 O60 P8 -","4","1","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.0254","0.0189","","","0.0415","0.0446","","","","","","1.041","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4334178","14.138","0.0005","20.7271","0.0008","17.7125","0.0007","90","","111.74","0.002","90","","4821.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H51 N6 O15 P2 Yb -","- C44 H51 N6 O15 P2 Yb -","- C176 H204 N24 O60 P8 Yb4 -","4","1","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.0222","0.017","","","0.0389","0.0411","","","","","","1.028","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4334179","31.687","0.004","26.926","0.003","17.3104","0.0019","90","","105.915","0.002","90","","14203","3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C129 H151 N13 O29 P6 Pr2 -","- C129 H151 N13 O29 P6 Pr2 -","- C516 H604 N52 O116 P24 Pr8 -","4","0.5","","Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau","Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms","Inorganic Chemistry","2013","52","","3063","3083","10.1021/ic3025342","","","0.71073","MoKα","","0.105","0.0656","","","0.1765","0.1965","","","","","","0.966","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334180","9.1671","0.0015","9.6508","0.0016","11.996","0.002","105.639","0.002","91.602","0.002","106.652","0.002","972.7","0.3","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Ag F6 O6 Sb -","- C12 H24 Ag F6 O6 Sb -","- C24 H48 Ag2 F12 O12 Sb2 -","2","1","","T. Stanley Cameron; Andreas Decken; Ingo Krossing; Jack Passmore; J. Mikko Rautiainen; Xinping Wang; Xiaoqing Zeng","Reactions of a Cyclodimethylsiloxane (Me2SiO)6 with Silver Salts of Weakly Coordinating Anions; Crystal Structures of [Ag(Me2SiO)6][Al] ([Al] = [FAl{OC(CF3)3}3], [Al{OC(CF3)3}4]) and Their Comparison with [Ag(18-Crown-6)]2[SbF6]2","Inorganic Chemistry","2013","52","","3113","3126","10.1021/ic3025793","","x-ray","0.71073","MoKα","","0.0277","0.0243","","","0.0621","0.0648","","","","","","1.068","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334181","14.2609","0.0005","21.3122","0.0009","21.6672","0.0011","115.387","0.0012","98.15","0.001","103.484","0.0007","5562.1","0.4","98.1","","98.1","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 Ag Al F36 O10 Si6 -","- C28 H36 Ag Al F36 O10 Si6 -","- C112 H144 Ag4 Al4 F144 O40 Si24 -","4","2","","T. Stanley Cameron; Andreas Decken; Ingo Krossing; Jack Passmore; J. Mikko Rautiainen; Xinping Wang; Xiaoqing Zeng","Reactions of a Cyclodimethylsiloxane (Me2SiO)6 with Silver Salts of Weakly Coordinating Anions; Crystal Structures of [Ag(Me2SiO)6][Al] ([Al] = [FAl{OC(CF3)3}3], [Al{OC(CF3)3}4]) and Their Comparison with [Ag(18-Crown-6)]2[SbF6]2","Inorganic Chemistry","2013","52","","3113","3126","10.1021/ic3025793","","","0.7107","MoKα","","","0.0681","","","","0.0797","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334182","12.99","0.003","21.368","0.004","18.082","0.004","90","","93.199","0.004","90","","5011.2","1.9","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Ag Al F28 O9 Si6 -","- C24 H36 Ag Al F28 O9 Si6 -","- C96 H144 Ag4 Al4 F112 O36 Si24 -","4","1","","T. Stanley Cameron; Andreas Decken; Ingo Krossing; Jack Passmore; J. Mikko Rautiainen; Xinping Wang; Xiaoqing Zeng","Reactions of a Cyclodimethylsiloxane (Me2SiO)6 with Silver Salts of Weakly Coordinating Anions; Crystal Structures of [Ag(Me2SiO)6][Al] ([Al] = [FAl{OC(CF3)3}3], [Al{OC(CF3)3}4]) and Their Comparison with [Ag(18-Crown-6)]2[SbF6]2","Inorganic Chemistry","2013","52","","3113","3126","10.1021/ic3025793","","x-ray","0.71073","MoKα","","0.1306","0.0686","","","0.1988","0.2163","","","","","","1.13","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334183","12.7321","0.0015","13.5133","0.0016","25.484","0.005","90","","90","","90","","4384.6","1.1","298","2","298","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C68 H57 In2 N11 O34 -","- C37 H20 In2 O20 -","- C74 H40 In4 O40 -","2","0.5","","Zu-Jin Lin; Yuan-Biao Huang; Tian-Fu Liu; Xiang-Ying Li; Rong Cao","Construction of a Polyhedral Metal-Organic Framework via a Flexible Octacarboxylate Ligand for Gas Adsorption and Separation","Inorganic Chemistry","2013","52","","3127","3132","10.1021/ic302583a","","","0.71073","MoKα","","0.0534","0.0509","","","0.1579","0.1614","","","","","","1.147","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334184","21.111","0.003","13.118","0.002","20.256","0.002","90","","90","","90","","5609.6","1.3","173","2","173","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C60 H76 Al2 N4 O Se2 -","- C60 H76 Al2 N4 O Se2 -","- C240 H304 Al8 N16 O4 Se8 -","4","0.5","","Sandra González-Gallardo; Aracely S. Cruz-Zavala; Vojtech Jancik; Fernando Cortés-Guzmán; Mónica Moya-Cabrera","Preparation of Telluro- and Selenoalumoxanes under Mild Conditions","Inorganic Chemistry","2013","52","","2793","2795","10.1021/ic302588f","","","0.71073","MoKα","","0.0612","0.0416","","","0.0965","0.1058","","","","","","1.039","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334185","8.675","0.003","10.01","0.004","13.424","0.003","70.48","0.03","82.01","0.03","79.05","0.04","1075.1","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H58 Al2 N4 Se2.05 -","- C46 H58 Al2 N4 Se2.0498 -","- C46 H58 Al2 N4 Se2.0498 -","1","0.5","","Sandra González-Gallardo; Aracely S. Cruz-Zavala; Vojtech Jancik; Fernando Cortés-Guzmán; Mónica Moya-Cabrera","Preparation of Telluro- and Selenoalumoxanes under Mild Conditions","Inorganic Chemistry","2013","52","","2793","2795","10.1021/ic302588f","","","0.71073","MoKα","","0.0859","0.0573","","","0.1233","0.1364","","","","","","0.99","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334186","8.859","0.002","9.907","0.002","13.412","0.003","70.64","0.02","80.43","0.03","77.36","0.02","1078","0.4","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C46 H58 Al2 N4 O Te -","- C46 H58 Al2 N4 O Te -","- C46 H58 Al2 N4 O Te -","1","1","","Sandra González-Gallardo; Aracely S. Cruz-Zavala; Vojtech Jancik; Fernando Cortés-Guzmán; Mónica Moya-Cabrera","Preparation of Telluro- and Selenoalumoxanes under Mild Conditions","Inorganic Chemistry","2013","52","","2793","2795","10.1021/ic302588f","","","0.71073","MoKα","","0.051","0.047","","","0.1045","0.1079","","","","","","1.036","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334187","4.1157","0.0005","4.1157","0.0005","14.6618","0.0016","90","","90","","90","","248.36","0.05","173","2","173","2","","","","","","","","4","I 4/m m m","-I 4 2","139","Rubidium zinc germanium arsenide (1/1.5/0.5/2)","Rubidium zinc germanium arsenide (1/1.5/0.5/2)","","- As2 Ge0.5 Rb Zn1.5 -","- As2 Ge0.5 Rb Zn1.5 -","- As4 Ge Rb2 Zn3 -","2","0.0625","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0269","0.0224","","","0.0414","0.0434","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334188","4.0662","0.0003","4.0662","0.0003","7.412","0.0005","90","","90","","120","","106.131","0.013","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Sodium zinc silicon arsenide (1/1.5/0.5/2)","Sodium zinc silicon arsenide (1/1.5/0.5/2)","","- As2 Na Si0.53 Zn1.47 -","- As2 Na Si0.534 Zn1.466 -","- As2 Na Si0.534 Zn1.466 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0243","0.0227","","","0.0462","0.0483","","","","","","1.195","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334189","4.0948","0.0003","4.0948","0.0003","7.4463","0.0005","90","","90","","120","","108.128","0.013","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Sodium zinc germanium arsenide (1/1.5/0.5/2)","Sodium zinc germanium arsenide (1/1.5/0.5/2)","","- As2 Ge0.5 Na Zn1.5 -","- As2 Ge0.5 Na Zn1.5 -","- As2 Ge0.5 Na Zn1.5 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0321","0.0315","","","0.0841","0.0846","","","","","","1.347","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334190","4.1637","0.0002","4.1637","0.0002","7.509","0.0004","90","","90","","120","","112.738","0.01","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Sodium zinc tin arsenide (1/1.5/0.5/2)","Sodium zinc tin arsenide (1/1.5/0.5/2)","","- As2 Na Sn0.49 Zn1.49 -","- As2 Na Sn0.488 Zn1.492 -","- As2 Na Sn0.488 Zn1.492 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0148","0.0141","","","0.0332","0.0335","","","","","","1.155","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334191","4.3726","0.0002","4.3726","0.0002","7.4647","0.0004","90","","90","","120","","123.601","0.01","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Sodium cadmium tin arsenide (1/1.5/0.5/2)","Sodium cadmium tin arsenide (1/1.5/0.5/2)","","- As2 Cd1.48 Na Sn0.5 -","- As2 Cd1.484 Na Sn0.5 -","- As2 Cd1.484 Na Sn0.5 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0244","0.0241","","","0.0603","0.0605","","","","","","1.268","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334192","4.1985","0.0005","4.1985","0.0005","8.1471","0.0009","90","","90","","120","","124.37","0.03","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Potassium zinc tin arsenide (1/1.5/0.5/2)","Potassium zinc tin arsenide (1/1.5/0.5/2)","","- As2 K Sn0.46 Zn1.54 -","- As2 K Sn0.464 Zn1.538 -","- As2 K Sn0.464 Zn1.538 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0131","0.013","","","0.0316","0.0317","","","","","","1.173","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334193","4.4174","0.0003","4.4174","0.0003","8.1638","0.0005","90","","90","","120","","137.961","0.016","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Potassium cadmium tin arsenide (1/1.5/0.5/2)","Potassium cadmium tin arsenide (1/1.5/0.5/2)","","- As2 Cd1.5 K Sn0.5 -","- As2 Cd1.5 K Sn0.5 -","- As2 Cd1.5 K Sn0.5 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.019","0.0185","","","0.0439","0.0441","","","","","","1.218","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334194","4.4263","0.0007","4.4263","0.0007","8.4586","0.0014","90","","90","","120","","143.52","0.04","173","2","173","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","Rubidium cadmium tin arsenide (1/1.5/0.5/2)","Rubidium cadmium tin arsenide (1/1.5/0.5/2)","","- As2 Cd1.5 Rb Sn0.5 -","- As2 Cd1.5 Rb Sn0.5 -","- As2 Cd1.5 Rb Sn0.5 -","1","0.0833333","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0239","0.0233","","","0.0604","0.0607","","","","","","1.186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334195","4.0613","0.001","4.0613","0.001","14.258","0.003","90","","90","","90","","235.17","0.1","173","2","173","2","","","","","","","","4","I 4/m m m","-I 4 2","139","Potassium zinc silicon arsenide (1/1.5/0.5/2)","Potassium zinc silicon arsenide (1/1.5/0.5/2)","","- As2 K Si0.53 Zn1.47 -","- As2 K Si0.528 Zn1.472 -","- As4 K2 Si1.056 Zn2.944 -","2","0.0625","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0195","0.015","","","0.0313","0.0337","","","","","","1.183","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334196","4.0872","0.0004","4.0872","0.0004","14.3117","0.0015","90","","90","","90","","239.08","0.04","173","2","173","2","","","","","","","","4","I 4/m m m","-I 4 2","139","Potassium zinc germanium arsenide (1/1.5/0.5/2)","Potassium zinc germanium arsenide (1/1.5/0.5/2)","","- As2 Ge0.5 K Zn1.5 -","- As2 Ge0.5 K Zn1.5 -","- As4 Ge K2 Zn3 -","2","0.0625","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Quaternary Arsenides AM1.5Tt0.5As2 (A= Na, K, Rb; M= Zn, Cd; Tt= Si, Ge, Sn): Size Effects in CaAl2Si2- and ThCr2Si2-Type Structures","Inorganic Chemistry","2013","52","","3148","3158","10.1021/ic302627n","","","0.71073","MoKα","","0.0211","0.0199","","","0.0379","0.0381","","","","","","1.183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334197","11.5261","0.0008","17.3834","0.0013","19.9118","0.0015","65.01","0.001","84.451","0.001","77.465","0.001","3529.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Fe(OR)3THF","","","- C34 H71 Fe O4 -","- C34 H71 Fe O4 -","- C136 H284 Fe4 O16 -","4","2","","Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Iron in a Trigonal Tris(alkoxide) Ligand Environment","Inorganic Chemistry","2013","52","","3159","3169","10.1021/ic302634q","","","0.71073","MoKα","","0.071","0.0469","","","0.1173","0.1328","","","","","","1.032","","","","has coordinates","179444","2020-10-21","18:00:00",""
"4334198","9.1459","0.0006","16.5341","0.0011","12.1761","0.0008","90","","92.818","0.001","90","","1839","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Fe(ditox)3LiTHF","","","- C34 H65 Fe Li O4 -","- C34.072 H69.608 Fe Li O4 -","- C68.144 H139.216 Fe2 Li2 O8 -","2","1","","Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Iron in a Trigonal Tris(alkoxide) Ligand Environment","Inorganic Chemistry","2013","52","","3159","3169","10.1021/ic302634q","","","0.71073","MoKα","","0.0641","0.0461","","","0.1085","0.1204","","","","","","1.034","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334199","18.4202","0.0011","15.8786","0.001","16.783","0.001","90","","122.454","0.001","90","","4142.2","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Fe(Ditox)3K(THF)2","","","- C38 H79 Fe K O5 -","- C37.94 H79 Fe K O5 -","- C151.76 H316 Fe4 K4 O20 -","4","0.5","","Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Iron in a Trigonal Tris(alkoxide) Ligand Environment","Inorganic Chemistry","2013","52","","3159","3169","10.1021/ic302634q","","","0.71073","MoKα","","0.0403","0.0333","","","0.0891","0.095","","","","","","1.049","","","","has coordinates,has disorder","179444","2020-10-21","18:00:00",""
"4334200","11.381","0.003","17.218","0.005","29.19","0.009","90","","91.295","0.005","90","","5719","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Fe(Ditox)3K(15C5)2","","","- C50 H103 Fe K O13 -","- C50 H103 Fe K O13 -","- C200 H412 Fe4 K4 O52 -","4","1","","Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Iron in a Trigonal Tris(alkoxide) Ligand Environment","Inorganic Chemistry","2013","52","","3159","3169","10.1021/ic302634q","","","0.71073","MoKα","","0.0644","0.0422","","","0.0958","0.1088","","","","","","1.013","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334201","9.9319","0.0012","19.091","0.002","18.937","0.002","90","","100.376","0.002","90","","3531.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Fe(ditox)3(ONMe3)","","","- C33 H72 Fe N O4 -","- C33 H72 Fe N O4 -","- C132 H288 Fe4 N4 O16 -","4","1","","Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Iron in a Trigonal Tris(alkoxide) Ligand Environment","Inorganic Chemistry","2013","52","","3159","3169","10.1021/ic302634q","","","0.71073","MoKα","","0.0568","0.0377","","","0.0811","0.0904","","","","","","1.023","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334202","11.99","0.005","17.034","0.005","17.077","0.006","119.693","0.009","90.078","0.006","90.019","0.005","3029.8","1.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Fe(ditox)3(OH)Li(THF)3+3THF","","","- C103 H214 Fe2 Li2 O19 -","- C103 H214 Fe2 Li2 O19 -","- C103 H214 Fe2 Li2 O19 -","1","0.5","","Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Iron in a Trigonal Tris(alkoxide) Ligand Environment","Inorganic Chemistry","2013","52","","3159","3169","10.1021/ic302634q","","","0.71073","MoKα","","0.1325","0.1042","","","0.2708","0.2876","","","","","","1.052","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334203","12.107","0.0005","12.5462","0.0005","16.0073","0.0007","87.035","0.001","70.968","0.001","62.728","0.001","2029.19","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Fe(Ditox)3(OH)Li(THF)2","","","- C38 H80 Fe Li O6 -","- C38 H80 Fe Li O6 -","- C76 H160 Fe2 Li2 O12 -","2","1","","Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Iron in a Trigonal Tris(alkoxide) Ligand Environment","Inorganic Chemistry","2013","52","","3159","3169","10.1021/ic302634q","","","0.71073","MoKα","","0.0587","0.0402","","","0.0905","0.0998","","","","","","1.016","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334204","11.1449","0.0017","11.4631","0.0018","15.124","0.002","69.484","0.002","81.278","0.003","63.207","0.002","1615.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Fe2(Ditox)6(OH)2Li2","","","- C30 H64 Fe Li O4 -","- C30 H64 Fe Li O4 -","- C60 H128 Fe2 Li2 O8 -","2","1","","Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Iron in a Trigonal Tris(alkoxide) Ligand Environment","Inorganic Chemistry","2013","52","","3159","3169","10.1021/ic302634q","","","0.71073","MoKα","","0.1245","0.0886","","","0.2878","0.3","","","","","","1.123","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334205","12.0816","0.0008","12.5916","0.0008","15.8864","0.0011","89.912","0.001","70.403","0.001","64.822","0.001","2032","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Fe(ditox)3(OH)Li(THF2)","","","- C38 H78 Fe Li O6 -","- C38 H78 Fe Li O6 -","- C76 H156 Fe2 Li2 O12 -","2","1","","Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Iron in a Trigonal Tris(alkoxide) Ligand Environment","Inorganic Chemistry","2013","52","","3159","3169","10.1021/ic302634q","","","0.71073","MoKα","","0.0766","0.066","","","0.1831","0.1947","","","","","","1.022","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334206","11.4144","0.0007","16.1991","0.001","17.6843","0.001","99.317","0.001","90.255","0.001","109.732","0.001","3031.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","OHFe(Ditox)3K(15C5)2","","","- C50 H103 Fe K O13 -","- C52.1 H109.2 Fe K O14.55 -","- C104.2 H218.4 Fe2 K2 O29.1 -","2","1","","Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Iron in a Trigonal Tris(alkoxide) Ligand Environment","Inorganic Chemistry","2013","52","","3159","3169","10.1021/ic302634q","","","0.71073","MoKα","","0.0664","0.0472","","","0.1143","0.1264","","","","","","0.993","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334207","20.2143","0.001","15.1166","0.0007","20.8828","0.001","90","","113.692","0.001","90","","5843.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Fe(ditox)3(ACN)_K(15C5)2","","","- C52 H105 Fe K N O13 -","- C52 H103 Fe K N O13 -","- C208 H412 Fe4 K4 N4 O52 -","4","1","","Matthew B. Chambers; Stanislav Groysman; Dino Villagrán; Daniel G. Nocera","Iron in a Trigonal Tris(alkoxide) Ligand Environment","Inorganic Chemistry","2013","52","","3159","3169","10.1021/ic302634q","","","0.71073","MoKα","","0.0557","0.0393","","","0.0997","0.1073","","","","","","0.987","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334208","8.726","0.0008","9.837","0.0009","40.956","0.003","84.227","0.01","84.429","0.011","72.995","0.007","3336.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H59 F3 N7 O6 Re S Zn -","- C69 H59 F3 N7 O6 Re S Zn -","- C138 H118 F6 N14 O12 Re2 S2 Zn2 -","2","1","","Teresa Gatti; Paolo Cavigli; Ennio Zangrando; Elisabetta Iengo; Claudio Chiorboli; Maria Teresa Indelli","Improving the Efficiency of the Photoinduced Charge-Separation Process in a Rhenium(I)-Zinc Porphyrin Dyad by Simple Chemical Functionalization","Inorganic Chemistry","2013","52","","3190","3197","10.1021/ic302663c","","","1","synchrotron","","0.1114","0.0925","","","0.2276","0.2337","","","","","","1.194","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334209","10.71","0.002","15.457","0.002","18.15","0.003","80.3","0.011","80.564","0.012","79.363","0.009","2883.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 F3 N3 O10 Re S -","- C25 H21 F3 N3 O10 Re S -","- C100 H84 F12 N12 O40 Re4 S4 -","4","2","","Teresa Gatti; Paolo Cavigli; Ennio Zangrando; Elisabetta Iengo; Claudio Chiorboli; Maria Teresa Indelli","Improving the Efficiency of the Photoinduced Charge-Separation Process in a Rhenium(I)-Zinc Porphyrin Dyad by Simple Chemical Functionalization","Inorganic Chemistry","2013","52","","3190","3197","10.1021/ic302663c","","","0.71073","MoKα","","0.0664","0.0434","","","0.1148","0.1258","","","","","","0.937","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334210","13.121","0.001","13.121","0.001","9.097","0.001","90","","90","","120","","1356.3","0.2","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","Ce2Ru3Al15.04","","","- Al15.04 Ce2 Ru3 -","- Al15.0437 Ce1.9999 Ru3 -","- Al60.1748 Ce7.9996 Ru12 -","4","0.166667","","Gregory Morrison; Neel Haldolaarachchige; Chih-Wei Chen; David P. Young; Emilia Morosan; Julia Y. Chan","Synthesis, Structure, and Properties of Ln2Ru3Al15 (Ln = Ce, Gd): Comparison with LnRu2Al10 and CeRu4(Al,Si)15.58","Inorganic Chemistry","2013","52","","3198","3206","10.1021/ic302693n","","","0.71073","MoKα","","0.0236","0.0192","","","0.039","0.0402","","","","","","1.181","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334211","13.032","0.001","13.032","0.001","9.059","0.001","90","","90","","120","","1332.4","0.2","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","Gd2Ru3.08Al15","","","- Al15 Gd2 Ru3.08 -","- Al15 Gd1.9999 Ru3.08245 -","- Al60 Gd7.9996 Ru12.3298 -","4","0.166667","","Gregory Morrison; Neel Haldolaarachchige; Chih-Wei Chen; David P. Young; Emilia Morosan; Julia Y. Chan","Synthesis, Structure, and Properties of Ln2Ru3Al15 (Ln = Ce, Gd): Comparison with LnRu2Al10 and CeRu4(Al,Si)15.58","Inorganic Chemistry","2013","52","","3198","3206","10.1021/ic302693n","","","0.71073","MoKα","","0.0268","0.0218","","","0.0527","0.0548","","","","","","1.091","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334212","8.938","0.0006","29.4106","0.0018","9.3713","0.0006","90","","117.664","0.001","90","","2181.8","0.2","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 La N6 O10 -","- C15 H19 La N6 O10 -","- C60 H76 La4 N24 O40 -","4","1","","Xiao-Yan Chen; George S. Goff; Brian L. Scott; Michael T. Janicke; Wolfgang Runde","Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with (Pyrazol-1-yl)acetic Acid","Inorganic Chemistry","2013","52","","3217","3224","10.1021/ic302696m","","","0.71073","MoKα","","0.0336","0.027","","","0.0645","0.0685","","","","","","1.303","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334213","8.8937","0.0005","29.3072","0.0018","9.3379","0.0006","90","","117.433","0.001","90","","2160.2","0.2","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 Ce N6 O10 -","- C15 H19 Ce N6 O10 -","- C60 H76 Ce4 N24 O40 -","4","1","","Xiao-Yan Chen; George S. Goff; Brian L. Scott; Michael T. Janicke; Wolfgang Runde","Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with (Pyrazol-1-yl)acetic Acid","Inorganic Chemistry","2013","52","","3217","3224","10.1021/ic302696m","","","0.71073","MoKα","","0.0434","0.0336","","","0.0761","0.0805","","","","","","1.376","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334214","8.8744","0.0005","29.2893","0.0017","9.3719","0.0006","90","","117.643","0.001","90","","2157.9","0.2","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 N6 O10 Pr -","- C15 H19 N6 O10 Pr -","- C60 H76 N24 O40 Pr4 -","4","1","","Xiao-Yan Chen; George S. Goff; Brian L. Scott; Michael T. Janicke; Wolfgang Runde","Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with (Pyrazol-1-yl)acetic Acid","Inorganic Chemistry","2013","52","","3217","3224","10.1021/ic302696m","","","0.71073","MoKα","","0.027","0.0249","","","0.0603","0.0632","","","","","","1.907","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334215","9.2686","0.0007","15.4688","0.0012","14.4631","0.0012","90","","99.963","0.001","90","","2042.4","0.3","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 N6 Nd O9 -","- C15 H15 N6 Nd O9 -","- C60 H60 N24 Nd4 O36 -","4","1","","Xiao-Yan Chen; George S. Goff; Brian L. Scott; Michael T. Janicke; Wolfgang Runde","Solid-State and Solution-State Coordination Chemistry of Lanthanide(III) Complexes with (Pyrazol-1-yl)acetic Acid","Inorganic Chemistry","2013","52","","3217","3224","10.1021/ic302696m","","","0.71073","MoKα","","0.0345","0.0258","","","0.0651","0.0676","","","","","","1.375","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334216","13.9792","0.0009","11.8611","0.0008","7.7282","0.0005","90","","112.748","0.004","90","","1181.73","0.14","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","nickel (0) nitrosyl iodide bipyridine","","- C10 H8 I N3 Ni O -","- C10 H8 I N3 Ni O -","- C40 H32 I4 N12 Ni4 O4 -","4","0.5","","Ashley M. Wright; Homaira T. Zaman; Guang Wu; Trevor W. Hayton","Nitric Oxide Release from a Nickel Nitrosyl Complex Induced by One-Electron Oxidation","Inorganic Chemistry","2013","52","","3207","3216","10.1021/ic302697v","","","0.71073","MoKα","","0.0252","0.0199","","","0.0442","0.0456","","","","","","1.041","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334217","7.9403","0.0003","10.4457","0.0003","16.9595","0.0006","81.625","0.002","86.498","0.002","77.562","0.002","1358.35","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","nickel (0) nitrosyl bipyridine hexafluorophosphate","","- C10 H8 F6 N3 Ni O P -","- C10 H8 F6 N3 Ni O P -","- C40 H32 F24 N12 Ni4 O4 P4 -","4","2","","Ashley M. Wright; Homaira T. Zaman; Guang Wu; Trevor W. Hayton","Nitric Oxide Release from a Nickel Nitrosyl Complex Induced by One-Electron Oxidation","Inorganic Chemistry","2013","52","","3207","3216","10.1021/ic302697v","","","1.54178","CuKα","","0.0507","0.0498","","","0.1461","0.1483","","","","","","1.062","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334218","10.1213","0.0003","10.6254","0.0003","12.2737","0.0003","75.043","0.002","66.164","0.002","67.598","0.002","1107.76","0.06","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C34 H30 Cl4 F12 N6 Ni2 O2 P2 S2 -","- C34 H30 Cl4 F12 N6 Ni2 O2 P2 S2 -","- C34 H30 Cl4 F12 N6 Ni2 O2 P2 S2 -","1","0.5","","Ashley M. Wright; Homaira T. Zaman; Guang Wu; Trevor W. Hayton","Nitric Oxide Release from a Nickel Nitrosyl Complex Induced by One-Electron Oxidation","Inorganic Chemistry","2013","52","","3207","3216","10.1021/ic302697v","","","0.71073","MoKα","","0.0565","0.045","","","0.1256","0.1325","","","","","","1.102","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334219","17.7511","0.0015","10.5069","0.0009","21.4383","0.0019","90","","92.663","0.002","90","","3994.1","0.6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","(2,2-bipyridine)pyridine-N-oxidenickel(0)nitrosyl","","- C15.5 H14 Cl F6 N4 Ni O2 P -","- C15.5 H13 Cl F6 N4 Ni O2 P -","- C124 H104 Cl8 F48 N32 Ni8 O16 P8 -","8","1","","Ashley M. Wright; Homaira T. Zaman; Guang Wu; Trevor W. Hayton","Nitric Oxide Release from a Nickel Nitrosyl Complex Induced by One-Electron Oxidation","Inorganic Chemistry","2013","52","","3207","3216","10.1021/ic302697v","","","0.71073","MoKα","","0.0436","0.0288","","","0.0587","0.0634","","","","","","1.139","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334220","21.24","0.007","9.737","0.003","22.745","0.008","90","","90.718","0.006","90","","4704","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","2,2-bipyridine TEMPO nickel(II) hexafluorophosphate","","- C19.5 H27 Cl F6 N3 Ni O P -","- C19.5 H27 Cl F6 N3 Ni O P -","- C156 H216 Cl8 F48 N24 Ni8 O8 P8 -","8","1","","Ashley M. Wright; Homaira T. Zaman; Guang Wu; Trevor W. Hayton","Nitric Oxide Release from a Nickel Nitrosyl Complex Induced by One-Electron Oxidation","Inorganic Chemistry","2013","52","","3207","3216","10.1021/ic302697v","","","0.71073","MoKα","","0.0417","0.0297","","","0.0598","0.064","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334221","14.3551","0.0008","14.3551","0.0008","10.1132","0.0011","90","","90","","120","","1804.8","0.2","296","2","296","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C12 H37 N6 O29 S7 Sm3 -","- C12 H36 N6 O29 S7 Sm3 -","- C24 H72 N12 O58 S14 Sm6 -","2","0.333333","","Deng Zhang; Yun Lu; Dunru Zhu; Yan Xu","(C4N2H12)3[Ln3(OH)(SO4)7] (Ln = Sm, Eu, and Tb): A Series of Honeycomb-like Open-Framework Lanthanide Sulfates with Extra-Large Channels Containing 24-Membered Rings","Inorganic Chemistry","2013","52","","3253","3258","10.1021/ic3027682","","","0.71073","MoKα","","0.0325","0.0278","","","0.0449","0.0462","","","","","","0.982","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334222","14.328","0.0009","14.328","0.0009","10.0966","0.0007","90","","90","","120","","1795.1","0.2","296","2","296","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C12 H37 Eu3 N6 O29 S7 -","- C12 H36 Eu3 N6 O29 S7 -","- C24 H72 Eu6 N12 O58 S14 -","2","0.333333","","Deng Zhang; Yun Lu; Dunru Zhu; Yan Xu","(C4N2H12)3[Ln3(OH)(SO4)7] (Ln = Sm, Eu, and Tb): A Series of Honeycomb-like Open-Framework Lanthanide Sulfates with Extra-Large Channels Containing 24-Membered Rings","Inorganic Chemistry","2013","52","","3253","3258","10.1021/ic3027682","","","0.71073","MoKα","","0.0201","0.0197","","","0.0454","0.0454","","","","","","1.045","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334223","14.2698","0.0016","14.2698","0.0016","10.066","0.002","90","","90","","120","","1775.1","0.5","296","2","296","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C12 H37 N6 O29 S7 Tb3 -","- C12 H36 N6 O29 S7 Tb3 -","- C24 H72 N12 O58 S14 Tb6 -","2","0.333333","","Deng Zhang; Yun Lu; Dunru Zhu; Yan Xu","(C4N2H12)3[Ln3(OH)(SO4)7] (Ln = Sm, Eu, and Tb): A Series of Honeycomb-like Open-Framework Lanthanide Sulfates with Extra-Large Channels Containing 24-Membered Rings","Inorganic Chemistry","2013","52","","3253","3258","10.1021/ic3027682","","","0.71073","MoKα","","0.0292","0.0261","","","0.0487","0.0533","","","","","","1.095","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334224","8.8767","0.0007","20.2107","0.0015","12.5708","0.0009","90","","108.036","0.001","90","","2144.4","0.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","RRe(CO)3","","","- C19 H17 F3 N3 O6 Re S -","- C19 H17 F3 N3 O6 Re S -","- C76 H68 F12 N12 O24 Re4 S4 -","4","1","","Thomas R. Hayes; Patrice A. Lyon; Elsa Silva-Lopez; Brendan Twamley; Paul D. Benny","Photo-initiated Thiol-ene Click Reactions as a Potential Strategy for Incorporation of [MI(CO)3]+ (M = Re, 99mTc) Complexes","Inorganic Chemistry","2013","52","","3259","3267","10.1021/ic302771f","","","0.71073","MoKα","","0.0309","0.0265","","","0.066","0.0687","","","","","","1.074","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334225","9.1297","0.0005","18.5891","0.0009","14.2734","0.0009","90","","104.629","0.003","90","","2343.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Fe2 N8 Si4 -","- C40 H64 Fe2 N8 Si4 -","- C80 H128 Fe4 N16 Si8 -","2","0.5","","Brenda A. Frazier; Valerie A. Williams; Peter T. Wolczanski; Suzanne C. Bart; Karsten Meyer; Thomas R. Cundari; Emil B. Lobkovsky","C-C Bond Formation and Related Reactions at the CNC Backbone in (smif)FeX (smif = 1,3-Di-(2-pyridyl)-2-azaallyl): Dimerizations, 3 + 2 Cyclization, and Nucleophilic Attack; Transfer Hydrogenations and Alkyne Trimerization (X = N(TMS)2, dpma = (Di-(2-pyridyl-methyl)-amide))","Inorganic Chemistry","2013","52","","3295","3312","10.1021/ic302783y","","","0.71073","MoKα","","0.0508","0.0366","","","0.0917","0.0991","","","","","","1.034","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334226","8.5974","0.0006","12.1386","0.0009","12.596","0.0009","87.456","0.005","81.005","0.005","69.286","0.004","1214.34","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H72 Fe2 N8 Si4 -","- C44 H72 Fe2 N8 Si4 -","- C44 H72 Fe2 N8 Si4 -","1","0.5","","Brenda A. Frazier; Valerie A. Williams; Peter T. Wolczanski; Suzanne C. Bart; Karsten Meyer; Thomas R. Cundari; Emil B. Lobkovsky","C-C Bond Formation and Related Reactions at the CNC Backbone in (smif)FeX (smif = 1,3-Di-(2-pyridyl)-2-azaallyl): Dimerizations, 3 + 2 Cyclization, and Nucleophilic Attack; Transfer Hydrogenations and Alkyne Trimerization (X = N(TMS)2, dpma = (Di-(2-pyridyl-methyl)-amide))","Inorganic Chemistry","2013","52","","3295","3312","10.1021/ic302783y","","","0.71073","MoKα","","0.0586","0.0384","","","0.0794","0.0858","","","","","","1.014","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334227","13.8897","0.0007","35.0779","0.0017","15.5291","0.0008","90","","90.361","0.002","90","","7566","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H84 Fe2 N8 Si4 -","- C68 H84 Fe2 N8 Si4 -","- C272 H336 Fe8 N32 Si16 -","4","1","","Brenda A. Frazier; Valerie A. Williams; Peter T. Wolczanski; Suzanne C. Bart; Karsten Meyer; Thomas R. Cundari; Emil B. Lobkovsky","C-C Bond Formation and Related Reactions at the CNC Backbone in (smif)FeX (smif = 1,3-Di-(2-pyridyl)-2-azaallyl): Dimerizations, 3 + 2 Cyclization, and Nucleophilic Attack; Transfer Hydrogenations and Alkyne Trimerization (X = N(TMS)2, dpma = (Di-(2-pyridyl-methyl)-amide))","Inorganic Chemistry","2013","52","","3295","3312","10.1021/ic302783y","","","0.71073","MoKα","","0.074","0.0431","","","0.105","0.1141","","","","","","1.016","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334228","34.168","0.005","17.174","0.003","18.038","0.003","90","","90","","90","","10585","3","173","2","173","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C54 H62 Fe N8 O3 -","- C54 H62 Fe N8 O3 -","- C432 H496 Fe8 N64 O24 -","8","1","","Brenda A. Frazier; Valerie A. Williams; Peter T. Wolczanski; Suzanne C. Bart; Karsten Meyer; Thomas R. Cundari; Emil B. Lobkovsky","C-C Bond Formation and Related Reactions at the CNC Backbone in (smif)FeX (smif = 1,3-Di-(2-pyridyl)-2-azaallyl): Dimerizations, 3 + 2 Cyclization, and Nucleophilic Attack; Transfer Hydrogenations and Alkyne Trimerization (X = N(TMS)2, dpma = (Di-(2-pyridyl-methyl)-amide))","Inorganic Chemistry","2013","52","","3295","3312","10.1021/ic302783y","","","0.71073","MoKα","","0.1284","0.0631","","","0.1469","0.1702","","","","","","0.925","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334229","15.017","0.0009","15.017","0.0005","15.017","0.0014","61.366","0.006","61.366","0.006","61.366","0.005","2468.1","0.3","295","2","295","2","","","","","","","","8","R -3 :R","-P 3*","148","","","","- C60 H42 N12 O6 Os0 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","1","0.166667","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.71073","MoKα","","0.0729","0.0316","","","0.0484","0.0549","","","","","","1.067","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334230","14.9978","0.0008","14.9978","0.0006","14.9978","0.0006","61.178","0.004","61.178","0.004","61.178","0.003","2448.7","0.2","230","2","230","2","","","","","","","","8","R -3 :R","-P 3*","148","","","","- C60 H42 N12 O6 Os0 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","1","0.166667","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.71073","MoKα","","0.0615","0.0293","","","0.0426","0.0473","","","","","","1.091","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334231","14.7744","0.001","14.7807","0.0011","15.257","0.0012","61.301","0.007","60.393","0.006","61.833","0.005","2417.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","1","0.5","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.71073","MoKα","","0.0604","0.0373","","","0.0876","0.0962","","","","","","1.007","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334232","15.0012","0.0001","15.0012","0.0001","15.0012","0.0001","61.409","0.001","61.409","0.001","61.409","0.001","2462.61","0.04","293","","293","","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se8 -","1","0.166667","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.6751","","","0.088","0.0774","","0.2286","0.2216","0.2286","","","","","","0.9547","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334233","14.8819","0.0001","14.8819","0.0001","14.8819","0.0001","61.078","0.001","61.078","0.001","61.078","0.001","2387.12","0.04","293","","293","","","","","","","","","7","R -3 :R","-P 3*","148","","","","- C60 H42 N12 O6 Re6 S36 Se8 -","- C60 H42 N12 O6 Re6 S36 Se7.998 -","- C60 H42 N12 O6 Re6 S36 Se7.998 -","1","0.166667","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.6751","","","0.0755","0.0629","","0.1869","0.1794","0.1869","","","","","","0.9489","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334234","14.6062","0.0011","14.6228","0.0011","14.7892","0.0019","90.811","0.011","119.154","0.01","118.971","0.006","2280.4","0.6","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H30 N12 O6 Re6 S36 Se8 -","- C60 H30 N12 O6 Re6 S36 Se8 -","- C60 H30 N12 O6 Re6 S36 Se8 -","1","0.5","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.6751","","","0.2029","0.128","","0.213","0.1432","0.1432","","","","","","1.0258","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334235","14.585","0.0012","14.6018","0.0014","14.805","0.002","90.869","0.013","119.081","0.012","118.944","0.007","2278.4","0.7","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H30 N12 O6 Re6 S36 Se8 -","- C60 H30 N12 O6 Re6 S36 Se8 -","- C60 H30 N12 O6 Re6 S36 Se8 -","1","0.5","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.6751","","","0.1656","0.1218","","0.3296","0.3088","0.3296","","","","","","1.0929","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334236","14.3991","0.0009","14.5069","0.0009","14.6179","0.0015","91.603","0.009","118.532","0.008","118.826","0.005","2214","0.5","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H7.5 N3 O1.5 Re1.5 S9 Se2 -","- C15 H7.5 N3 O1.5 Re1.5 S9 Se2 -","- C60 H30 N12 O6 Re6 S36 Se8 -","4","2","","Sandra Carlsson; Leokadiya Zorina; David R. Allan; J. Paul Attfield; Enric Canadell; Patrick Batail","Robust Dirac-Cone Band Structure in the Molecular Kagome Compound (EDT-TTF-CONH2)6[Re6Se8(CN)6]","Inorganic Chemistry","2013","52","","3326","3333","10.1021/ic302790m","","","0.6751","","","0.1647","0.1248","","0.3704","0.353","0.3704","","","","","","1.2285","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334237","8.4875","0.0003","9.5962","0.0004","26.8766","0.0011","86.256","0.003","83.703","0.003","84.879","0.003","2163.74","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C37.83 H44.75 Br0.08 Cl2 N8.92 O9 Ru Si -","- C37.822 H44.733 Br0.089 Cl2 N8.911 O9 Ru Si -","- C75.644 H89.466 Br0.178 Cl4 N17.822 O18 Ru2 Si2 -","2","1","","James B. Gerken; Matthew L. Rigsby; Rose E. Ruther; Riviam J. Pérez-Rodríguez; Ilia A. Guzei; Robert J. Hamers; Shannon S. Stahl","Modular Synthesis of Alkyne-Substituted Ruthenium Polypyridyl Complexes Suitable for ""Click"" Coupling","Inorganic Chemistry","2013","52","","2796","2798","10.1021/ic302827s","","","1.54178","Cu-Kα","","0.0781","0.0638","","","0.1518","0.16","","","","","","1.055","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4334238","29.0382","0.0016","9.5447","0.0005","24.53","0.0015","90","","102.191","0.003","90","","6645.4","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 Cl2 N7 O8 Ru -","- C34 H25 Cl2 N7 O8 Ru -","- C272 H200 Cl16 N56 O64 Ru8 -","8","1","","James B. Gerken; Matthew L. Rigsby; Rose E. Ruther; Riviam J. Pérez-Rodríguez; Ilia A. Guzei; Robert J. Hamers; Shannon S. Stahl","Modular Synthesis of Alkyne-Substituted Ruthenium Polypyridyl Complexes Suitable for ""Click"" Coupling","Inorganic Chemistry","2013","52","","2796","2798","10.1021/ic302827s","","","0.71073","MoKα","","0.0477","0.041","","","0.0909","0.0943","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334239","9.6495","0.0013","12.3186","0.0019","15.199","0.003","85.888","0.009","77.75","0.006","77.536","0.008","1723.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H20 Cl2 N8 O8 Ru -","- C27 H20 Cl2 N8 O8 Ru -","- C54 H40 Cl4 N16 O16 Ru2 -","2","1","","James B. Gerken; Matthew L. Rigsby; Rose E. Ruther; Riviam J. Pérez-Rodríguez; Ilia A. Guzei; Robert J. Hamers; Shannon S. Stahl","Modular Synthesis of Alkyne-Substituted Ruthenium Polypyridyl Complexes Suitable for ""Click"" Coupling","Inorganic Chemistry","2013","52","","2796","2798","10.1021/ic302827s","","","1.54178","CuKα","","0.0506","0.0447","","","0.1149","0.1183","","","","","","1.047","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4334240","8.0849","0.0007","4.8517","0.0004","8.7504","0.0008","90","","90","","90","","343.24","0.05","290","2","290","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Eu Mg Sn -","- Eu Mg Sn -","- Eu4 Mg4 Sn4 -","4","0.5","","Xiaowei Ma; Jun Lu; Jeffrey B. Whalen; Susan E. Latturner","Flux Growth and Magnetoresistance Behavior of Rare Earth Zintl Phase EuMgSn","Inorganic Chemistry","2013","52","","3342","3348","10.1021/ic302828p","","","0.71073","MoKα","","0.0142","0.0137","","","0.029","0.0291","","","","","","1.138","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334241","16.6042","0.0005","26.8003","0.0008","8.0794","0.0002","90","","101.191","0.003","90","","3526.95","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 Eu N8 O12 -","- C27 H41 Eu N8 O12 -","- C108 H164 Eu4 N32 O48 -","4","1","","Qun Tang; Shuxia Liu; Yiwei Liu; Jun Miao; Shujun Li; Li Zhang; Zhan Shi; Zhiping Zheng","Cation Sensing by a Luminescent Metal-Organic Framework with Multiple Lewis Basic Sites","Inorganic Chemistry","2013","52","","2799","2801","10.1021/ic400029p","","","0.71073","MoKα","","0.0547","0.0323","","","0.0571","0.0586","","","","","","1.035","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334242","16.143","0.004","7.7507","0.0018","27.374","0.006","90","","93.077","0.003","90","","3420.1","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H34 Ce N8 O11 -","- C24 H34 Ce N8 O11 -","- C96 H136 Ce4 N32 O44 -","4","1","","Qun Tang; Shuxia Liu; Yiwei Liu; Jun Miao; Shujun Li; Li Zhang; Zhan Shi; Zhiping Zheng","Cation Sensing by a Luminescent Metal-Organic Framework with Multiple Lewis Basic Sites","Inorganic Chemistry","2013","52","","2799","2801","10.1021/ic400029p","","","0.71073","MoKα","","0.1","0.0578","","","0.1404","0.155","","","","","","1.031","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334243","16.5758","0.0013","26.692","0.002","8.2402","0.0006","90","","100.848","0.001","90","","3580.7","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 N8 O12 Pr -","- C27 H41 N8 O12 Pr -","- C108 H164 N32 O48 Pr4 -","4","1","","Qun Tang; Shuxia Liu; Yiwei Liu; Jun Miao; Shujun Li; Li Zhang; Zhan Shi; Zhiping Zheng","Cation Sensing by a Luminescent Metal-Organic Framework with Multiple Lewis Basic Sites","Inorganic Chemistry","2013","52","","2799","2801","10.1021/ic400029p","","","0.71073","MoKα","","0.0641","0.0416","","","0.097","0.1081","","","","","","1.005","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334244","16.5888","0.0007","26.7362","0.001","8.1881","0.0003","90","","100.939","0.004","90","","3565.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N6 Nd O10 -","- C21 H27 N6 Nd O10 -","- C84 H108 N24 Nd4 O40 -","4","1","","Qun Tang; Shuxia Liu; Yiwei Liu; Jun Miao; Shujun Li; Li Zhang; Zhan Shi; Zhiping Zheng","Cation Sensing by a Luminescent Metal-Organic Framework with Multiple Lewis Basic Sites","Inorganic Chemistry","2013","52","","2799","2801","10.1021/ic400029p","","","0.71073","MoKα","","0.1331","0.0631","","","0.1584","0.1705","","","","","","1.037","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334245","36.763","0.002","19.7464","0.0009","26.072","0.001","90","","92.246","0.001","90","","18912.1","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Grosss-41 (Atif)","","","- C52.5 H13 Co F23 N6 -","- C52.5 H13 Co F23 N6 -","- C840 H208 Co16 F368 N96 -","16","2","","Biswajit Mondal; Kushal Sengupta; Atanu Rana; Atif Mahammed; Mark Botoshansky; Somdatta Ghosh Dey; Zeev Gross; Abhishek Dey","Cobalt Corrole Catalyst for Efficient Hydrogen Evolution Reaction from H2O under Ambient Conditions: Reactivity, Spectroscopy, and Density Functional Theory Calculations","Inorganic Chemistry","2013","52","","3381","3387","10.1021/ic4000473","","","0.71073","MoKα","","0.1145","0.0735","","","0.2301","0.2606","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334246","10.396","0.0004","16.7648","0.0007","54.2778","0.0018","90","","90","","90","","9459.9","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H87 Li O4 Th -","- C41 H87 Li O4 Th -","- C328 H696 Li8 O32 Th8 -","8","2","","Lani A. Seaman; Justin R. Walensky; Guang Wu; Trevor W. Hayton","In Pursuit of Homoleptic Actinide Alkyl Complexes","Inorganic Chemistry","2013","52","","3556","3564","10.1021/ic300867m","","","1.54178","CuKα","","0.0851","0.083","","","0.2306","0.2337","","","","","","1.162","","","","has coordinates","189304","2020-10-21","18:00:00",""
"4334247","9.341","0.003","29.955","0.007","16.497","0.004","90","","93.604","0.01","90","","4607","2","273","2","273","2","","","","","","","","5","P 1 n 1","P -2yac","7","","Th benzyl","","- C50 H58 K2 O2 Th -","- C50 H58 K2 O2 Th -","- C200 H232 K8 O8 Th4 -","4","2","","Lani A. Seaman; Justin R. Walensky; Guang Wu; Trevor W. Hayton","In Pursuit of Homoleptic Actinide Alkyl Complexes","Inorganic Chemistry","2013","52","","3556","3564","10.1021/ic300867m","","","0.71073","MoKα","","0.0775","0.0536","","","0.1075","0.1163","","","","","","0.992","","","","has coordinates,has disorder","189305","2020-10-21","18:00:00",""
"4334248","16.8194","0.001","13.6739","0.0008","22.9375","0.0014","90","","105.347","0.0007","90","","5087.2","0.5","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N Y -","- C28 H42 N Y -","- C224 H336 N8 Y8 -","8","2","","Christopher L. Webster; Jefferson E. Bates; Ming Fang; Joseph W. Ziller; Filipp Furche; William J. Evans","Density Functional Theory and X-ray Analysis of the Structural Variability in η5,η5,η1-Tris(ring) Rare Earth/Actinide Tetramethylpyrrolyl Complexes, (C5Me5)2M(NC4Me4)","Inorganic Chemistry","2013","52","","3565","3572","10.1021/ic300905r","","","0.71073","MoKα","","0.0441","0.0314","","","0.0732","0.0776","","","","","","1.042","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334249","12.3106","0.0004","13.8027","0.0005","15.9133","0.0005","90","","105.944","0.0004","90","","2599.95","0.15","198","2","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H42 N Y -","- C28 H42 N Y -","- C112 H168 N4 Y4 -","4","1","","Christopher L. Webster; Jefferson E. Bates; Ming Fang; Joseph W. Ziller; Filipp Furche; William J. Evans","Density Functional Theory and X-ray Analysis of the Structural Variability in η5,η5,η1-Tris(ring) Rare Earth/Actinide Tetramethylpyrrolyl Complexes, (C5Me5)2M(NC4Me4)","Inorganic Chemistry","2013","52","","3565","3572","10.1021/ic300905r","","","0.71073","MoKα","","0.0447","0.0334","","","0.0857","0.0913","","","","","","1.028","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334250","11.3214","0.0005","13.9701","0.0006","16.8593","0.0008","90","","105.812","0.0005","90","","2565.6","0.2","88","2","88","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Ce N -","- C28 H42 Ce N -","- C112 H168 Ce4 N4 -","4","1","","Christopher L. Webster; Jefferson E. Bates; Ming Fang; Joseph W. Ziller; Filipp Furche; William J. Evans","Density Functional Theory and X-ray Analysis of the Structural Variability in η5,η5,η1-Tris(ring) Rare Earth/Actinide Tetramethylpyrrolyl Complexes, (C5Me5)2M(NC4Me4)","Inorganic Chemistry","2013","52","","3565","3572","10.1021/ic300905r","","","0.71073","MoKα","","0.0229","0.0185","","","0.0461","0.0483","","","","","","1.043","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334251","9.2609","0.0005","23.1295","0.0013","24.0518","0.0014","92.4453","0.0007","95.9564","0.0007","95.5524","0.0006","5092.8","0.5","88","2","88","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H42 N U -","- C28 H42 N U -","- C224 H336 N8 U8 -","8","4","","Christopher L. Webster; Jefferson E. Bates; Ming Fang; Joseph W. Ziller; Filipp Furche; William J. Evans","Density Functional Theory and X-ray Analysis of the Structural Variability in η5,η5,η1-Tris(ring) Rare Earth/Actinide Tetramethylpyrrolyl Complexes, (C5Me5)2M(NC4Me4)","Inorganic Chemistry","2013","52","","3565","3572","10.1021/ic300905r","","","0.71073","MoKα","","0.0328","0.0245","","","0.0558","0.0587","","","","","","1.035","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334252","9.2627","0.0006","16.3491","0.001","17.0385","0.0011","88.0732","0.0007","89.749","0.0007","81.7396","0.0007","2552","0.3","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H42 N U -","- C28 H42 N U -","- C112 H168 N4 U4 -","4","2","","Christopher L. Webster; Jefferson E. Bates; Ming Fang; Joseph W. Ziller; Filipp Furche; William J. Evans","Density Functional Theory and X-ray Analysis of the Structural Variability in η5,η5,η1-Tris(ring) Rare Earth/Actinide Tetramethylpyrrolyl Complexes, (C5Me5)2M(NC4Me4)","Inorganic Chemistry","2013","52","","3565","3572","10.1021/ic300905r","","","0.71073","MoKα","","0.0275","0.0223","","","0.0524","0.0543","","","","","","1.024","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334253","16.83","0.002","13.8251","0.0019","22.983","0.003","90","","105.075","0.0016","90","","5163.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 N Sm -","- C28 H42 N Sm -","- C224 H336 N8 Sm8 -","8","2","","Christopher L. Webster; Jefferson E. Bates; Ming Fang; Joseph W. Ziller; Filipp Furche; William J. Evans","Density Functional Theory and X-ray Analysis of the Structural Variability in η5,η5,η1-Tris(ring) Rare Earth/Actinide Tetramethylpyrrolyl Complexes, (C5Me5)2M(NC4Me4)","Inorganic Chemistry","2013","52","","3565","3572","10.1021/ic300905r","","","0.71073","MoKα","","0.0459","0.038","","","0.0855","0.0887","","","","","","1.086","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334254","15.911","0.001","15.951","0.001","25.86","0.001","90","","90","","90","","6563.2","0.6","295","","295","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Cl16 Cs7 Nd11 O36 Se12 -","- Cl16 Cs7 Nd11 O36 Se12 -","- Cl64 Cs28 Nd44 O144 Se48 -","4","1","","Peter S. Berdonosov; Lev Akselrud; Yurii Prots; Artem M. Abakumov; Philippe F. Smet; Dirk Poelman; Gustaaf Van Tendeloo; Valery A. Dolgikh","Cs7Nd11(SeO3)12Cl16: First Noncentrosymmetric Structure among Alkaline-Metal Lanthanide Selenite Halides","Inorganic Chemistry","2013","52","","3611","3619","10.1021/ic301442f","","","0.71073","MoKα","","","0.046","","","","0.0477","","","","","","1.01","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334255","31.654","0.005","26.271","0.005","19.501","0.005","90","","109.504","0.005","90","","15286","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Pr(CyMe4-BTPhen)2(NO3)](NO3)2.10H20","","- C68 H96 N19 O19 Pr -","- C68 H76 N19 O19 Pr -","- C544 H608 N152 O152 Pr8 -","8","1","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","0.71069","MoKα","","0.1071","0.0551","","","0.1154","0.1257","","","","","","0.864","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334256","13.716","0.005","15.221","0.005","20.359","0.005","107.225","0.005","99.422","0.005","97.083","0.005","3938","2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","[Pr(CyMe4-BTPhen)2(NO3)][Pr(NO3)5].1.63EtOH.0.75H2O","","- C71.25 H87.25 N22 O20.38 Pr2 -","- C71.26 H85.78 N22 O20.39 Pr2 -","- C142.52 H171.56 N44 O40.78 Pr4 -","2","1","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","0.71073","MoKα","","0.1214","0.0547","","","0.1229","0.1393","","","","","","0.677","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334257","31.172","0.003","38.128","0.003","14.8296","0.0013","90","","90","","90","","17625","3","100","2","100.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","Eu(CyMe4-BTPhen)2(H20)](NO3)3.9H2O","","- C68 H96 Eu N19 O19 -","- C68 H76 Eu N19.001 O19.003 -","- C544 H608 Eu8 N152.008 O152.024 -","8","0.5","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","0.71073","MOKα","","0.0609","0.0512","","","0.1317","0.1364","","","","","","1.066","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334258","31.3486","0.0007","38.0261","0.0009","14.8414","0.0003","90","","90","","90","","17691.9","0.7","100","2","100.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","[Tb(CyMe4-BTPhen)2(H2O)](NO3)3.9H2O","","- C68 H96 N19 O19 Tb -","- C68 H76 N19.001 O19.003 Tb -","- C544 H608 N152.008 O152.024 Tb8 -","8","0.5","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","0.7107","MoKα","","0.061","0.0513","","","0.1341","0.1423","","","","","","1.084","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334259","31.3257","0.0013","37.709","0.002","14.8783","0.0007","90","","90","","90","","17575.2","1.4","100","2","100","0.14","","","","","","","","5","F d d 2","F 2 -2d","43","","[Yb(CyMe4-BTPhen)2(H2O)](NO3)3.9H2O","","- C68 H96 N19 O19 Yb -","- C68 H76 N18.999 O18.997 Yb -","- C544 H608 N151.992 O151.976 Yb8 -","8","0.5","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","0.7107","MoKα","","0.0969","0.0658","","","0.1589","0.1984","","","","","","1.096","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334260","24.279","0.0007","16.5467","0.0004","19.4601","0.0005","90","","90.355","0.003","90","","7817.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Pr(CyMe4-BTBP)2(NO3)](NO3)2.4EtOH.H2O","","- C72 H102 N19 O14 Pr -","- C72 H100 N19 O14 Pr -","- C288 H400 N76 O56 Pr4 -","4","1","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","0.7107","MoKα","","0.0942","0.0562","","","0.1162","0.1435","","","","","","1.048","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334261","16.604","0.002","28.1161","0.0019","17.7385","0.0014","90","","106.609","0.01","90","","7935.5","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[Pr(CyMe4-BTBP)2(NO3)]2[Pr(NO3)6](NO3).6CH3CN","","- C140 H166 N47 O27 Pr3 -","- C140 H166 N47 O27 Pr3 -","- C280 H332 N94 O54 Pr6 -","2","0.5","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","0.7107","MoKα","","0.1618","0.0766","","","0.1822","0.2209","","","","","","0.959","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334262","16.4128","0.0006","23.8916","0.0006","19.7838","0.0006","90","","90","","90","","7757.8","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","[Eu(CyMe4-BTBP)2(NO3)](NO3)2.4EtOH.2H2O","","- C72 H104 Eu N19 O15 -","- C72 H100 Eu N19 O15 -","- C288 H400 Eu4 N76 O60 -","4","0.5","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","0.7107","MoKα","","0.1291","0.1158","","","0.2577","0.2628","","","","","","1.333","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334263","26.385","0.002","11.6674","0.0011","15.7469","0.0014","90","","90.673","0.001","90","","4847.3","0.7","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Eu(CyMe4-BTBP)(NO3)3].toluene","","- C46 H54 Eu N11 O9 -","- C46 H54 Eu N11 O9 -","- C184 H216 Eu4 N44 O36 -","4","0.5","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","0.71073","MoKα","","0.0453","0.043","","","0.1146","0.1164","","","","","","1.143","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334264","30.5621","0.0007","14.8217","0.0004","23.9083","0.0006","90","","129.428","0.001","90","","8365.4","0.4","100.15","","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Tb(CyMe4-BTBP)2(H2O)](NO3)3.4EtOH","","- C72 H100 N19 O14 Tb -","- C72 H96 N19 O14 Tb -","- C288 H384 N76 O56 Tb4 -","4","0.5","","Daniel M. Whittaker; Tamara L. Griffiths; Madeleine Helliwell; Adam N. Swinburne; Louise S. Natrajan; Frank W. Lewis; Laurence M. Harwood; Stephen A. Parry; Clint A. Sharrad","Lanthanide Speciation in Potential SANEX and GANEX Actinide/Lanthanide Separations Using Tetra-N-Donor Extractants","Inorganic Chemistry","2013","52","","3429","3444","10.1021/ic301599y","","","1.54178","CuKα","","0.0944","0.0915","","","0.2363","0.2381","","","","","","1.145","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334265","16.6701","0.0012","16.6701","0.0012","15.481","0.002","90","","90","","90","","4302","0.7","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C67 H73 Mn N10 O19 Zn2 -","- C50 H24 Mn N4 O12 Zn2 -","- C100 H48 Mn2 N8 O24 Zn4 -","2","0.0625","","Chao Zou; Tianfu Zhang; Ming-Hua Xie; Lijun Yan; Guo-Qiang Kong; Xiu-Li Yang; An Ma; Chuan-De Wu","Four Metalloporphyrinic Frameworks as Heterogeneous Catalysts for Selective Oxidation and Aldol Reaction","Inorganic Chemistry","2013","52","","3620","3626","10.1021/ic3019502","","","0.71073","MoKα","","0.0443","0.0358","","","0.087","0.0897","","","","","","1.041","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334266","16.9198","0.0004","16.9198","0.0004","16.017","0.0006","90","","90","","90","","4585.3","0.2","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C67 H75 Cd2 Mn N10 O20 -","- C50 H24 Cd2 Mn N4 O12 -","- C100 H48 Cd4 Mn2 N8 O24 -","2","0.0625","","Chao Zou; Tianfu Zhang; Ming-Hua Xie; Lijun Yan; Guo-Qiang Kong; Xiu-Li Yang; An Ma; Chuan-De Wu","Four Metalloporphyrinic Frameworks as Heterogeneous Catalysts for Selective Oxidation and Aldol Reaction","Inorganic Chemistry","2013","52","","3620","3626","10.1021/ic3019502","","","0.71073","MoKα","","0.0467","0.0392","","","0.1176","0.1209","","","","","","1.18","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334267","16.6651","0.0005","16.6651","0.0005","8.8573","0.0011","90","","90","","90","","2459.9","0.3","293","2","293","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C58 H50 Fe N7 O15 Zn2 -","- C49 H24 Fe N4 O11 Zn2 -","- C49 H24 Fe N4 O11 Zn2 -","1","0.0625","","Chao Zou; Tianfu Zhang; Ming-Hua Xie; Lijun Yan; Guo-Qiang Kong; Xiu-Li Yang; An Ma; Chuan-De Wu","Four Metalloporphyrinic Frameworks as Heterogeneous Catalysts for Selective Oxidation and Aldol Reaction","Inorganic Chemistry","2013","52","","3620","3626","10.1021/ic3019502","","","1.54178","CuKα","","0.1462","0.1285","","","0.2387","0.247","","","","","","1.003","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334268","41.4454","0.0012","41.4454","0.0012","32.834","0.003","90","","90","","90","","56400","6","293","2","293","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C111 H97 Cd3 Fe2 N13 O28 -","- C96 H48 Cd3 Fe2 N8 O23 -","- C1536 H768 Cd48 Fe32 N128 O368 -","16","0.5","","Chao Zou; Tianfu Zhang; Ming-Hua Xie; Lijun Yan; Guo-Qiang Kong; Xiu-Li Yang; An Ma; Chuan-De Wu","Four Metalloporphyrinic Frameworks as Heterogeneous Catalysts for Selective Oxidation and Aldol Reaction","Inorganic Chemistry","2013","52","","3620","3626","10.1021/ic3019502","","","0.71073","MoKα","","0.2424","0.1418","","","0.2426","0.2653","","","","","","1.038","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334269","22.033","0.008","12.691","0.005","9.603","0.004","90","","97.492","0.005","90","","2662.3","1.8","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8.5 H7 N0.5 O3 S0.5 Zn0.5 -","- C8.5 H7 N0.5 O3 S0.5 Zn0.5 -","- C68 H56 N4 O24 S4 Zn4 -","8","1","","Yuh Hijikata; Satoshi Horike; Masayuki Sugimoto; Munehiro Inukai; Tomohiro Fukushima; Susumu Kitagawa","Pore Design of Two-Dimensional Coordination Polymers toward Selective Adsorption","Inorganic Chemistry","2013","52","","3634","3642","10.1021/ic302006x","","","0.71075","MoKα","","0.0907","0.0698","","","0.1886","0.2048","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334270","8.4907","0.0016","12.996","0.003","13.151","0.003","84.192","0.009","73.567","0.008","72.272","0.008","1325.6","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 N2 O7 S Zn -","- C25 H21 N2 O7 S Zn -","- C50 H42 N4 O14 S2 Zn2 -","2","1","","Yuh Hijikata; Satoshi Horike; Masayuki Sugimoto; Munehiro Inukai; Tomohiro Fukushima; Susumu Kitagawa","Pore Design of Two-Dimensional Coordination Polymers toward Selective Adsorption","Inorganic Chemistry","2013","52","","3634","3642","10.1021/ic302006x","","","0.71075","MoKα","","0.0789","0.0672","","","0.2026","0.2159","","","","","","1.065","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334271","8.0467","0.0019","12.063","0.004","13.016","0.004","86.066","0.012","72.39","0.01","79.253","0.011","1183","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 N O6 S Zn -","- C22 H14 N O6 S Zn -","- C44 H28 N2 O12 S2 Zn2 -","2","1","","Yuh Hijikata; Satoshi Horike; Masayuki Sugimoto; Munehiro Inukai; Tomohiro Fukushima; Susumu Kitagawa","Pore Design of Two-Dimensional Coordination Polymers toward Selective Adsorption","Inorganic Chemistry","2013","52","","3634","3642","10.1021/ic302006x","","","0.71075","MoKα","","0.0977","0.0737","","","0.1862","0.2147","","","","","","1.044","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334272","7.3068","0.0012","12.984","0.002","14.251","0.002","77.487","0.006","77.231","0.006","88.687","0.007","1286.8","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 N4 O7 S Zn -","- C23 H19 N4 O7 S Zn -","- C46 H38 N8 O14 S2 Zn2 -","2","1","","Yuh Hijikata; Satoshi Horike; Masayuki Sugimoto; Munehiro Inukai; Tomohiro Fukushima; Susumu Kitagawa","Pore Design of Two-Dimensional Coordination Polymers toward Selective Adsorption","Inorganic Chemistry","2013","52","","3634","3642","10.1021/ic302006x","","","0.71075","MoKα","","0.062","0.0582","","","0.186","0.1897","","","","","","1.128","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334273","28.271","0.006","22.155","0.004","12.549","0.003","90","","104.764","0.002","90","","7600","3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H24 N2 O12 S2 Zn2 -","- C38 H24 N2 O12 S2 Zn2 -","- C304 H192 N16 O96 S16 Zn16 -","8","1","","Yuh Hijikata; Satoshi Horike; Masayuki Sugimoto; Munehiro Inukai; Tomohiro Fukushima; Susumu Kitagawa","Pore Design of Two-Dimensional Coordination Polymers toward Selective Adsorption","Inorganic Chemistry","2013","52","","3634","3642","10.1021/ic302006x","","","0.71075","MoKα","","0.0854","0.0692","","","0.2479","0.2585","","","","","","1.699","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334274","17.344","0.004","12.177","0.003","15.273","0.005","90","","120.17","0.02","90","","2788.7","1.4","203","2","203","2","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- Co2 N12 Np3 O19 -","- Co2 N12 Np3 O19 -","- Co8 N48 Np12 O76 -","4","0.5","","David L. Clark; Steven D. Conradson; Robert J. Donohoe; Pamela L. Gordon; D. Webster Keogh; Phillip D. Palmer; Brian L. Scott; C. Drew Tait","Chemical Speciation of Neptunium(VI) under Strongly Alkaline Conditions. Structure, Composition, and Oxo Ligand Exchange","Inorganic Chemistry","2013","52","","3547","3555","10.1021/ic3020139","","x-ray","0.71073","MoKα","","0.0589","0.0359","","","0.0729","0.0811","","","","","","1.047","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334275","39.2864","0.0004","32.6616","0.0004","27.3632","0.0003","90","","117.125","0.001","90","","31249.5","0.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C611 H624 Ag8 Au24 F48 O28 P32 -","- C609 H618 Ag8 Au24 F48 O27 P32 -","- C1218 H1236 Ag16 Au48 F96 O54 P64 -","2","0.25","","Igor O. Koshevoy; Antti J. Karttunen; Ilya S. Kritchenkou; Dmitrii V. Krupenya; Stanislav I. Selivanov; Alexei S. Melnikov; Sergey P. Tunik; Matti Haukka; Tapani A. Pakkanen","Sky-Blue Luminescent AuI-AgI Alkynyl-Phosphine Clusters","Inorganic Chemistry","2013","52","","3663","3673","10.1021/ic302105a","","","0.71073","MoKα","","0.0557","0.0369","","","0.0899","0.1","","","","","","1.051","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334276","13.5411","0.0003","14.1769","0.0003","17.8341","0.0004","101.867","0.001","99.863","0.001","97.318","0.001","3253.66","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C126 H150 Ag2 Au6 F12 O2 P8 -","- C126 H150 Ag2 Au6 F12 O2 P8 -","- C126 H150 Ag2 Au6 F12 O2 P8 -","1","0.5","","Igor O. Koshevoy; Antti J. Karttunen; Ilya S. Kritchenkou; Dmitrii V. Krupenya; Stanislav I. Selivanov; Alexei S. Melnikov; Sergey P. Tunik; Matti Haukka; Tapani A. Pakkanen","Sky-Blue Luminescent AuI-AgI Alkynyl-Phosphine Clusters","Inorganic Chemistry","2013","52","","3663","3673","10.1021/ic302105a","","","0.71073","MoKα","","0.031","0.0243","","","0.0601","0.0623","","","","","","1.056","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334277","13.1001","0.0005","14.0229","0.0006","17.8852","0.0008","100.807","0.003","98.707","0.002","98.553","0.003","3136.6","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H138 Ag2 Au6 Cl2 O16 P6 -","- C120 H138 Ag2 Au6 Cl2 O16 P6 -","- C120 H138 Ag2 Au6 Cl2 O16 P6 -","1","0.5","","Igor O. Koshevoy; Antti J. Karttunen; Ilya S. Kritchenkou; Dmitrii V. Krupenya; Stanislav I. Selivanov; Alexei S. Melnikov; Sergey P. Tunik; Matti Haukka; Tapani A. Pakkanen","Sky-Blue Luminescent AuI-AgI Alkynyl-Phosphine Clusters","Inorganic Chemistry","2013","52","","3663","3673","10.1021/ic302105a","","","0.71073","MoKα","","0.0843","0.0423","","","0.1039","0.1239","","","","","","1.029","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334278","26.7717","0.0011","28.0375","0.0012","21.8698","0.001","90","","113.679","0.001","90","","15033.7","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C144 H176 Ag2 Au6 F12 O11 P8 -","- C144 H176 Ag2 Au6 F12 O11 P8 -","- C576 H704 Ag8 Au24 F48 O44 P32 -","4","1","","Igor O. Koshevoy; Antti J. Karttunen; Ilya S. Kritchenkou; Dmitrii V. Krupenya; Stanislav I. Selivanov; Alexei S. Melnikov; Sergey P. Tunik; Matti Haukka; Tapani A. Pakkanen","Sky-Blue Luminescent AuI-AgI Alkynyl-Phosphine Clusters","Inorganic Chemistry","2013","52","","3663","3673","10.1021/ic302105a","","","0.71073","MoKα","","0.0515","0.0357","","","0.0927","0.1008","","","","","","1.042","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334279","19.386","0.003","29.357","0.005","29.755","0.005","90","","90.469","0.004","90","","16933","5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C658 H826 Ag8 Au24 Cl20 O63 P24 -","- C658 H826 Ag8 Au24 Cl20 O63 P24 -","- C658 H826 Ag8 Au24 Cl20 O63 P24 -","1","0.5","","Igor O. Koshevoy; Antti J. Karttunen; Ilya S. Kritchenkou; Dmitrii V. Krupenya; Stanislav I. Selivanov; Alexei S. Melnikov; Sergey P. Tunik; Matti Haukka; Tapani A. Pakkanen","Sky-Blue Luminescent AuI-AgI Alkynyl-Phosphine Clusters","Inorganic Chemistry","2013","52","","3663","3673","10.1021/ic302105a","","","0.71073","MoKα","","0.0467","0.0357","","","0.0799","0.0827","","","","","","1.019","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334280","10.56","0.002","18.195","0.004","14.774","0.003","90","","92.1","0.03","90","","2836.8","1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Cl N3 O Rh -","- C31 H31 Cl N3 O Rh -","- C124 H124 Cl4 N12 O4 Rh4 -","4","1","","Rakesh Kumar Gupta; Rampal Pandey; Gunjan Sharma; Ritika Prasad; Biplob Koch; Saripella Srikrishna; Pei-Zhou Li; Qiang Xu; Daya Shankar Pandey","DNA Binding and Anti-Cancer Activity of Redox-Active Heteroleptic Piano-Stool Ru(II), Rh(III), and Ir(III) Complexes Containing 4-(2-Methoxypyridyl)phenyldipyrromethene","Inorganic Chemistry","2013","52","","3687","3698","10.1021/ic302196v","","","0.71073","MoKα","","0.0502","0.0382","","","0.0835","0.0932","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334281","10.536","0.002","18.093","0.004","14.968","0.003","90","","92.2","0.03","90","","2851.2","1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Cl Ir N3 O -","- C31 H31 Cl Ir N3 O -","- C124 H124 Cl4 Ir4 N12 O4 -","4","1","","Rakesh Kumar Gupta; Rampal Pandey; Gunjan Sharma; Ritika Prasad; Biplob Koch; Saripella Srikrishna; Pei-Zhou Li; Qiang Xu; Daya Shankar Pandey","DNA Binding and Anti-Cancer Activity of Redox-Active Heteroleptic Piano-Stool Ru(II), Rh(III), and Ir(III) Complexes Containing 4-(2-Methoxypyridyl)phenyldipyrromethene","Inorganic Chemistry","2013","52","","3687","3698","10.1021/ic302196v","","","0.71073","MoKα","","0.0415","0.0329","","","0.0751","0.0804","","","","","","1.053","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334282","7.4699","0.0003","10.1981","0.0003","17.03","0.0006","90","","93.895","0.001","90","","1294.33","0.08","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,2,3-benzodiselenazolium tetrachlorogallate","","- C6 H4 Cl4 Ga N Se2 -","- C6 H4 Cl4 Ga N Se2 -","- C24 H16 Cl16 Ga4 N4 Se8 -","4","1","","Alexander Yu. Makarov; Frank Blockhuys; Irina Yu. Bagryanskaya; Yuri V. Gatilov; Makhmut M. Shakirov; Andrey V. Zibarev","Experimental and Computational Study on the Structure and Properties of Herz Cations and Radicals: 1,2,3-Benzodithiazolium, 1,2,3-Benzodithiazolyl, and Their Se Congeners","Inorganic Chemistry","2013","52","","3699","3710","10.1021/ic302203t","","","0.71073","MoKα","","0.0312","0.0228","","","0.0496","0.0532","","","","","","1.065","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334283","14.9341","0.0011","15.8102","0.001","16.0843","0.0011","87.751","0.004","85.952","0.004","87.492","0.004","3782.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","tris(1,2,3-benzodithiazolium) chloride bis(hexachloroantimonate)","","- C18 H12 Cl13 N3 S6 Sb2 -","- C18 H12 Cl13 N3 S6 Sb2 -","- C72 H48 Cl52 N12 S24 Sb8 -","4","2","","Alexander Yu. Makarov; Frank Blockhuys; Irina Yu. Bagryanskaya; Yuri V. Gatilov; Makhmut M. Shakirov; Andrey V. Zibarev","Experimental and Computational Study on the Structure and Properties of Herz Cations and Radicals: 1,2,3-Benzodithiazolium, 1,2,3-Benzodithiazolyl, and Their Se Congeners","Inorganic Chemistry","2013","52","","3699","3710","10.1021/ic302203t","","","0.71073","MoKα","","0.0949","0.0469","","","0.0823","0.1111","","","","","","1.2","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334284","14.1279","0.0013","15.898","0.0013","17.0527","0.0015","88.417","0.004","86.258","0.005","88.05","0.005","3818.5","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","tris(2,1,3-benzothiaselenazolium) chloride bis(hexachloroantimonate)","","- C18 H12 Cl13 N3 S3 Sb2 Se3 -","- C18 H12 Cl13 N3 S3 Sb2 Se3 -","- C72 H48 Cl52 N12 S12 Sb8 Se12 -","4","2","","Alexander Yu. Makarov; Frank Blockhuys; Irina Yu. Bagryanskaya; Yuri V. Gatilov; Makhmut M. Shakirov; Andrey V. Zibarev","Experimental and Computational Study on the Structure and Properties of Herz Cations and Radicals: 1,2,3-Benzodithiazolium, 1,2,3-Benzodithiazolyl, and Their Se Congeners","Inorganic Chemistry","2013","52","","3699","3710","10.1021/ic302203t","","","0.71073","MoKα","","0.1026","0.0651","","","0.1681","0.1918","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334285","14.6946","0.0011","5.5482","0.0004","21.652","0.002","90","","90.309","0.008","90","","1765.2","0.2","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,2,3-benzodithiazolium tetrafluoroborate","","- C6 H4 B F4 N S2 -","- C6 H4 B F4 N S2 -","- C48 H32 B8 F32 N8 S16 -","8","1","","Alexander Yu. Makarov; Frank Blockhuys; Irina Yu. Bagryanskaya; Yuri V. Gatilov; Makhmut M. Shakirov; Andrey V. Zibarev","Experimental and Computational Study on the Structure and Properties of Herz Cations and Radicals: 1,2,3-Benzodithiazolium, 1,2,3-Benzodithiazolyl, and Their Se Congeners","Inorganic Chemistry","2013","52","","3699","3710","10.1021/ic302203t","","","0.71073","MoKα","","0.07","0.0531","","","0.1323","0.1419","","","","","","1.146","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334286","14.769","0.004","5.6552","0.0015","21.781","0.005","90","","91.68","0.02","90","","1818.4","0.8","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2,1,3-benzothiaselenazolium tetrafluoroborate","","- C6 H4 B F4 N S Se -","- C6 H4 B F4 N S Se -","- C48 H32 B8 F32 N8 S8 Se8 -","8","1","","Alexander Yu. Makarov; Frank Blockhuys; Irina Yu. Bagryanskaya; Yuri V. Gatilov; Makhmut M. Shakirov; Andrey V. Zibarev","Experimental and Computational Study on the Structure and Properties of Herz Cations and Radicals: 1,2,3-Benzodithiazolium, 1,2,3-Benzodithiazolyl, and Their Se Congeners","Inorganic Chemistry","2013","52","","3699","3710","10.1021/ic302203t","","","0.71073","MoKα","","0.1299","0.0709","","","0.1613","0.1914","","","","","","1.047","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334287","14.6053","0.0004","12.3214","0.0005","21.4161","0.0007","90","","92.883","0.0002","90","","3849.1","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H8 F60 Ni5 S20 -","- C44 H8 F60 Ni5 S20 -","- C88 H16 F120 Ni10 S40 -","2","0.5","","Li Dang; Mohamed F. Shibl; Xinzheng Yang; Daniel J. Harrison; Aiman Alak; Alan J. Lough; Ulrich Fekl; Edward N. Brothers; Michael B. Hall","Apparent Anti-Woodward-Hoffmann Addition to a Nickel Bis(dithiolene) Complex: The Reaction Mechanism Involves Reduced, Dimetallic Intermediates","Inorganic Chemistry","2013","52","","3711","3723","10.1021/ic302236u","","","0.71073","MoKα","","0.1208","0.0524","","","0.1102","0.1385","","","","","","1.007","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334288","22.953","0.002","15.1919","0.0017","8.0373","0.0008","90","","92.987","0.006","90","","2798.8","0.5","101","2","101","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1","","","- C30 H21 F12 N3 -","- C30 H21 F12 N3 -","- C120 H84 F48 N12 -","4","1","","Parisa Ebrahimpour; Mairi F. Haddow; Duncan F. Wass","New Cu(I)-Ethylene Complexes Based on Tridentate Imine Ligands: Synthesis and Structure","Inorganic Chemistry","2013","52","","3765","3771","10.1021/ic302325u","","","0.71073","MoKα","","0.1388","0.0518","","","0.0796","0.1094","","","","","","0.977","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334289","11.1156","0.0013","12.7094","0.0015","14.3353","0.0019","93.662","0.006","99.756","0.006","97.196","0.005","1972.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cu(1)(C2H4)]SbF6","","","- C32 H25 Cu F18 N3 Sb -","- C32 H25 Cu F18 N3 Sb -","- C64 H50 Cu2 F36 N6 Sb2 -","2","1","","Parisa Ebrahimpour; Mairi F. Haddow; Duncan F. Wass","New Cu(I)-Ethylene Complexes Based on Tridentate Imine Ligands: Synthesis and Structure","Inorganic Chemistry","2013","52","","3765","3771","10.1021/ic302325u","","","0.71073","MoKα","","0.0347","0.0296","","","0.0769","0.0793","","","","","","1.095","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334290","15.1661","0.0001","15.1661","0.0001","15.1661","0.0001","90","","90","","90","","3488.36","0.04","100","2","100","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","[Cu(1)(CO)]PF6","","","- C31 H21 Cu F18 N3 O P -","- C31 H21 Cu F17.96 N3 O P -","- C124 H84 Cu4 F71.84 N12 O4 P4 -","4","0.333333","","Parisa Ebrahimpour; Mairi F. Haddow; Duncan F. Wass","New Cu(I)-Ethylene Complexes Based on Tridentate Imine Ligands: Synthesis and Structure","Inorganic Chemistry","2013","52","","3765","3771","10.1021/ic302325u","","","0.71073","MoKα","","0.0373","0.0342","","","0.0971","0.0986","","","","","","1.052","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334291","15.312","0.002","15.312","0.002","15.312","0.002","90","","90","","90","","3590","0.8","100","2","100","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","[Cu(1)(NCMe)]PF6","","","- C32 H24 Cu F18 N4 P -","- C32 H23.97 Cu F17.96 N4 P -","- C128 H95.88 Cu4 F71.84 N16 P4 -","4","0.333333","","Parisa Ebrahimpour; Mairi F. Haddow; Duncan F. Wass","New Cu(I)-Ethylene Complexes Based on Tridentate Imine Ligands: Synthesis and Structure","Inorganic Chemistry","2013","52","","3765","3771","10.1021/ic302325u","","","0.71073","MoKα","","0.09","0.0569","","","0.1302","0.1482","","","","","","1.04","","","","has coordinates,has disorder","179445","2020-10-21","18:00:00",""
"4334292","10.4468","0.0004","11.9367","0.0005","15.8619","0.0007","87.069","0.003","82.652","0.003","87.423","0.003","1957.7","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Cu(2)(C2H4)]SbF6","","","- C38 H49 Cu F6 N3 Sb -","- C38 H49 Cu F6 N3 Sb -","- C76 H98 Cu2 F12 N6 Sb2 -","2","1","","Parisa Ebrahimpour; Mairi F. Haddow; Duncan F. Wass","New Cu(I)-Ethylene Complexes Based on Tridentate Imine Ligands: Synthesis and Structure","Inorganic Chemistry","2013","52","","3765","3771","10.1021/ic302325u","","","0.71073","MoKα","","0.0863","0.0473","","","0.0984","0.1134","","","","","","1.014","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334293","23.265","0.007","12.925","0.003","36.562","0.01","90","","100.366","0.005","90","","10815","5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93 H121 Gd3 N2 O20 S8 Zn -","- C92.6 H96.4 Gd3 N2 O19.75 S8 Zn -","- C370.4 H385.6 Gd12 N8 O79 S32 Zn4 -","4","1","","Kongzhao Su; Feilong Jiang; Jinjie Qian; Mingyan Wu; Kecai Xiong; Yanli Gai; Maochun Hong","Thiacalix[4]arene-Supported Kite-Like Heterometallic Tetranuclear ZnIILnIII3 (Ln = Gd, Tb, Dy, Ho) Complexes","Inorganic Chemistry","2013","52","","3780","3786","10.1021/ic302367q","","","0.71073","MoKα","","0.0843","0.0778","","","0.2068","0.2134","","","","","","1.096","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334294","23.64","0.006","13.045","0.003","36.394","0.009","90","","100.914","0.005","90","","11020","5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93 H121 N2 O20 S8 Tb3 Zn -","- C93 H76 N2 O20 S8 Tb3 Zn -","- C372 H304 N8 O80 S32 Tb12 Zn4 -","4","1","","Kongzhao Su; Feilong Jiang; Jinjie Qian; Mingyan Wu; Kecai Xiong; Yanli Gai; Maochun Hong","Thiacalix[4]arene-Supported Kite-Like Heterometallic Tetranuclear ZnIILnIII3 (Ln = Gd, Tb, Dy, Ho) Complexes","Inorganic Chemistry","2013","52","","3780","3786","10.1021/ic302367q","","","0.71073","MoKα","","0.1238","0.0872","","","0.2709","0.3474","","","","","","1.037","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334295","23.479","0.009","12.952","0.005","36.458","0.013","90","","100.74","0.007","90","","10893","7","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93 H121 Dy3 N2 O20 S8 Zn -","- C93 H91 Dy3 N2 O20 S8 Zn -","- C372 H364 Dy12 N8 O80 S32 Zn4 -","4","1","","Kongzhao Su; Feilong Jiang; Jinjie Qian; Mingyan Wu; Kecai Xiong; Yanli Gai; Maochun Hong","Thiacalix[4]arene-Supported Kite-Like Heterometallic Tetranuclear ZnIILnIII3 (Ln = Gd, Tb, Dy, Ho) Complexes","Inorganic Chemistry","2013","52","","3780","3786","10.1021/ic302367q","","","0.71073","MoKα","","0.0986","0.0857","","","0.2196","0.2323","","","","","","1.098","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334296","23.4538","0.0009","12.942","0.0003","36.2915","0.0013","90","","100.78","0.002","90","","10821.5","0.6","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C93 H121 Ho3 N2 O20 S8 Zn -","- C93 H88 Ho3 N2 O20 S8 Zn -","- C372 H352 Ho12 N8 O80 S32 Zn4 -","4","1","","Kongzhao Su; Feilong Jiang; Jinjie Qian; Mingyan Wu; Kecai Xiong; Yanli Gai; Maochun Hong","Thiacalix[4]arene-Supported Kite-Like Heterometallic Tetranuclear ZnIILnIII3 (Ln = Gd, Tb, Dy, Ho) Complexes","Inorganic Chemistry","2013","52","","3780","3786","10.1021/ic302367q","","","0.71073","MoKα","","0.0573","0.0497","","","0.1344","0.1419","","","","","","1.071","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334297","11.18528","0.000062","5.58787","0.000032","14.07427","0.00008","90","","121.554","0.00031","90","","749.606","0.008","298.15","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ca4 Ga Nb O8 -","- Ca4 Ga Nb O8 -","- Ca16 Ga4 Nb4 O32 -","4","1","","Tao Yang; John B. Claridge; Matthew J. Rosseinsky","1:1:1 Triple-Cation B-Site-Ordered and Oxygen-Deficient Perovskite Ca4GaNbO8: A Member of a Family of Anion-Vacancy-Based Cation-Ordered Complex Perovskites","Inorganic Chemistry","2013","52","","3795","3802","10.1021/ic302414u","powder diffraction","","","","","","","","","","","","","13.1413","","","","","","","has coordinates","198749","2020-10-21","18:00:00",""
"4334298","6.4778","0.0007","22.184","0.002","22.348","0.002","90","","90","","90","","3211.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H40 N4 O8 Sn4 -","- C22 H40 N4 O8 Sn4 -","- C88 H160 N16 O32 Sn16 -","4","1","","Vadapalli Chandrasekhar; Chandrajeet Mohapatra; Rahul Banerjee; Arijit Mallick","Synthesis, Structure, and H2/CO2 Adsorption in a Three-Dimensional 4-Connected Triorganotin Coordination Polymer with a sqc Topology","Inorganic Chemistry","2013","52","","3579","3581","10.1021/ic302528b","","","0.71073","MoKα","","0.0369","0.0329","","","0.0695","0.0721","","","","","","1.033","","","","has coordinates","179445","2020-10-21","18:00:00",""
"4334299","18.086","0.005","25.771","0.005","19.18","0.005","90","0.005","93.022","0.005","90","0.005","8927","4","280","1","280","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Fe N8 P -","- C56 H42 Fe N8 P -","- C448 H336 Fe8 N64 P8 -","8","2","","Dmitri V. Konarev; Manabu Ishikawa; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Synthesis, Structural and Magnetic Properties of Ternary Complexes of (Me4P+).{[Fe(I)Pc(-2)]-}.Triptycene and (Me4P+).{[Fe(I)Pc(-2)]-}.(N,N,N',N'-Tetrabenzyl-p-phenylenediamine)0.5 with Iron(I) Phthalocyanine Anions","Inorganic Chemistry","2013","52","","3851","3859","10.1021/ic3025364","","","0.71073","MoKα","","0.3704","0.0819","","","0.1557","0.2941","","","","","","0.851","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334300","13.1296","0.0017","12.7055","0.0016","25.672","0.003","90","","96.672","0.002","90","","4253.6","0.9","180","","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H44 Fe N9 P -","- C53 H44 Fe N9 P -","- C212 H176 Fe4 N36 P4 -","4","1","","Dmitri V. Konarev; Manabu Ishikawa; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Synthesis, Structural and Magnetic Properties of Ternary Complexes of (Me4P+).{[Fe(I)Pc(-2)]-}.Triptycene and (Me4P+).{[Fe(I)Pc(-2)]-}.(N,N,N',N'-Tetrabenzyl-p-phenylenediamine)0.5 with Iron(I) Phthalocyanine Anions","Inorganic Chemistry","2013","52","","3851","3859","10.1021/ic3025364","","","0.71073","MoKα","","0.1714","0.0515","","","0.0814","0.1087","","","","","","0.714","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334301","13.091","0.002","12.6449","0.0019","25.604","0.004","90","","96.535","0.002","90","","4210.8","1.1","100","","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H44 Fe N9 P -","- C53 H44 Fe N9 P -","- C212 H176 Fe4 N36 P4 -","4","1","","Dmitri V. Konarev; Manabu Ishikawa; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Synthesis, Structural and Magnetic Properties of Ternary Complexes of (Me4P+).{[Fe(I)Pc(-2)]-}.Triptycene and (Me4P+).{[Fe(I)Pc(-2)]-}.(N,N,N',N'-Tetrabenzyl-p-phenylenediamine)0.5 with Iron(I) Phthalocyanine Anions","Inorganic Chemistry","2013","52","","3851","3859","10.1021/ic3025364","","","0.71073","MoKα","","0.1479","0.0515","","","0.1096","0.1385","","","","","","0.754","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334302","14.602","0.002","4.7862","0.0007","19.412","0.003","90","","120.86","0.001","90","","1164.6","0.3","301","","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 Fe N8 -","- C32 H16 Fe N8 -","- C64 H32 Fe2 N16 -","2","0.5","","Dmitri V. Konarev; Manabu Ishikawa; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Synthesis, Structural and Magnetic Properties of Ternary Complexes of (Me4P+).{[Fe(I)Pc(-2)]-}.Triptycene and (Me4P+).{[Fe(I)Pc(-2)]-}.(N,N,N',N'-Tetrabenzyl-p-phenylenediamine)0.5 with Iron(I) Phthalocyanine Anions","Inorganic Chemistry","2013","52","","3851","3859","10.1021/ic3025364","","","0.71073","MoKα","","0.0799","0.0429","","","0.1078","0.1361","","","","","","1.023","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334303","14.5276","0.0015","4.781","0.0005","19.185","0.002","90","","120.77","0.001","90","","1144.9","0.2","100","","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 Fe N8 -","- C32 H16 Fe N8 -","- C64 H32 Fe2 N16 -","2","0.5","","Dmitri V. Konarev; Manabu Ishikawa; Salavat S. Khasanov; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Synthesis, Structural and Magnetic Properties of Ternary Complexes of (Me4P+).{[Fe(I)Pc(-2)]-}.Triptycene and (Me4P+).{[Fe(I)Pc(-2)]-}.(N,N,N',N'-Tetrabenzyl-p-phenylenediamine)0.5 with Iron(I) Phthalocyanine Anions","Inorganic Chemistry","2013","52","","3851","3859","10.1021/ic3025364","","","0.71073","MoKα","","0.0505","0.035","","","0.0938","0.1111","","","","","","1.111","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334304","7.5721","0.0008","15.595","0.0017","16.7063","0.0019","90","","94.433","0.002","90","","1966.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Eu2 N4 O13 -","- C12 H6 Eu2 N4 O13 -","- C48 H24 Eu8 N16 O52 -","4","1","","Hao-Ling Sun; Dan-Dan Yin; Qi Chen; Zhenqiang Wang","Europium Pyrimidine-4,6-dicarboxylate Framework with a Single-Crystal-to-Single-Crystal Transition and a Reversible Dehydration/Rehydration Process","Inorganic Chemistry","2013","52","","3582","3584","10.1021/ic302556r","","","0.71073","MoKα","","0.0365","0.0267","","","0.0483","0.0512","","","","","","1.005","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334305","7.572","0.001","15.595","0.002","16.706","0.002","90","","94.433","0.002","90","","1966.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Eu2 N4 O10 -","- C12 H6 Eu2 N4 O10 -","- C48 H24 Eu8 N16 O40 -","4","1","","Hao-Ling Sun; Dan-Dan Yin; Qi Chen; Zhenqiang Wang","Europium Pyrimidine-4,6-dicarboxylate Framework with a Single-Crystal-to-Single-Crystal Transition and a Reversible Dehydration/Rehydration Process","Inorganic Chemistry","2013","52","","3582","3584","10.1021/ic302556r","","","0.71073","MoKα","","0.0323","0.0244","","","0.0414","0.0428","","","","","","0.973","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334306","7.5755","0.0005","15.6186","0.0012","16.6991","0.0012","90","","94.375","0.001","90","","1970.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6.25 Eu2 N4 O10.125 -","- C12 H4 Eu2 N4 O10.13 -","- C48 H16 Eu8 N16 O40.52 -","4","1","","Hao-Ling Sun; Dan-Dan Yin; Qi Chen; Zhenqiang Wang","Europium Pyrimidine-4,6-dicarboxylate Framework with a Single-Crystal-to-Single-Crystal Transition and a Reversible Dehydration/Rehydration Process","Inorganic Chemistry","2013","52","","3582","3584","10.1021/ic302556r","","","0.71073","MoKα","","0.0368","0.0277","","","0.0584","0.0616","","","","","","1.024","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334307","7.545","0.001","15.415","0.002","16.844","0.002","90","","93.788","0.002","90","","1954.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Eu2 N4 O13 -","- C12 H4 Eu2 N4 O13 -","- C48 H16 Eu8 N16 O52 -","4","1","","Hao-Ling Sun; Dan-Dan Yin; Qi Chen; Zhenqiang Wang","Europium Pyrimidine-4,6-dicarboxylate Framework with a Single-Crystal-to-Single-Crystal Transition and a Reversible Dehydration/Rehydration Process","Inorganic Chemistry","2013","52","","3582","3584","10.1021/ic302556r","","","0.71073","MoKα","","0.0377","0.0285","","","0.0651","0.0691","","","","","","1.023","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334308","7.548","0.001","15.475","0.002","16.746","0.003","90","","94.462","0.002","90","","1950.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6.25 Eu2 N4 O10.13 -","- C12 H6 Eu2 N4 O10.13 -","- C48 H24 Eu8 N16 O40.52 -","4","1","","Hao-Ling Sun; Dan-Dan Yin; Qi Chen; Zhenqiang Wang","Europium Pyrimidine-4,6-dicarboxylate Framework with a Single-Crystal-to-Single-Crystal Transition and a Reversible Dehydration/Rehydration Process","Inorganic Chemistry","2013","52","","3582","3584","10.1021/ic302556r","","","0.71073","MoKα","","0.0374","0.0278","","","0.0548","0.0583","","","","","","0.996","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334309","8.3497","0.0013","11.6251","0.0019","13.813","0.002","71.189","0.003","75.117","0.003","77.007","0.003","1211.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 F3 N5 Ni S4 -","- C21 H11 F3 N5 Ni S4 -","- C42 H22 F6 N10 Ni2 S8 -","2","1","","Hai-Bao Duan; Xuan-Rong Chen; Hao Yang; Xiao-Ming Ren; Fang Xuan; Shi-Ming Zhou","Disorder-Order Transformation and Significant Dislocation Motion Cooperating with a Surprisingly Large Hysteretic Magnetic Transition in a Nickel-Bisdithiolene Spin System","Inorganic Chemistry","2013","52","","3870","3877","10.1021/ic302571p","","","0.71073","MoKα","","0.0796","0.0583","","","0.1387","0.1483","","","","","","0.918","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334310","8.2623","0.0006","11.5851","0.0006","13.8576","0.0009","71.043","0.005","74.97","0.006","77.509","0.005","1198.86","0.14","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 F3 N5 Ni S4 -","- C21 H11 F3 N5 Ni S4 -","- C42 H22 F6 N10 Ni2 S8 -","2","1","","Hai-Bao Duan; Xuan-Rong Chen; Hao Yang; Xiao-Ming Ren; Fang Xuan; Shi-Ming Zhou","Disorder-Order Transformation and Significant Dislocation Motion Cooperating with a Surprisingly Large Hysteretic Magnetic Transition in a Nickel-Bisdithiolene Spin System","Inorganic Chemistry","2013","52","","3870","3877","10.1021/ic302571p","","","0.71073","MoKα","","0.0785","0.0552","","","0.1378","0.1456","","","","","","0.928","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334311","8.2247","0.0004","11.5827","0.0004","13.8825","0.0007","70.995","0.004","74.753","0.004","77.577","0.004","1194.19","0.1","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 F3 N5 Ni S4 -","- C21 H11 F3 N5 Ni S4 -","- C42 H22 F6 N10 Ni2 S8 -","2","1","","Hai-Bao Duan; Xuan-Rong Chen; Hao Yang; Xiao-Ming Ren; Fang Xuan; Shi-Ming Zhou","Disorder-Order Transformation and Significant Dislocation Motion Cooperating with a Surprisingly Large Hysteretic Magnetic Transition in a Nickel-Bisdithiolene Spin System","Inorganic Chemistry","2013","52","","3870","3877","10.1021/ic302571p","","","0.71073","MoKα","","0.0631","0.0359","","","0.0815","0.0866","","","","","","0.905","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334312","8.5682","0.0008","11.4127","0.0009","25.008","0.002","96.294","0.007","93.068","0.007","103.85","0.007","2352","0.4","131","2","131","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H11 F3 N5 Ni S4 -","- C21 H11 F3 N5 Ni S4 -","- C84 H44 F12 N20 Ni4 S16 -","4","2","","Hai-Bao Duan; Xuan-Rong Chen; Hao Yang; Xiao-Ming Ren; Fang Xuan; Shi-Ming Zhou","Disorder-Order Transformation and Significant Dislocation Motion Cooperating with a Surprisingly Large Hysteretic Magnetic Transition in a Nickel-Bisdithiolene Spin System","Inorganic Chemistry","2013","52","","3870","3877","10.1021/ic302571p","","","0.71073","MoKα","","0.1688","0.1118","","","0.293","0.3479","","","","","","1.081","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334313","9.1939","0.0003","10.9303","0.0004","17.3201","0.0007","91.042","0.003","90.828","0.003","106.057","0.003","1672.01","0.11","123","1","123","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C22 H46 As2 Cr2 Si4 -","- C22 H46 As2 Cr2 Si4 -","- C44 H92 As4 Cr4 Si8 -","2","1","","Sabine Scheuermayer; Floriana Tuna; Eufemio Moreno Pineda; Michael Bodensteiner; Manfred Scheer; Richard A. Layfield","Transmetalation of Chromocene by Lithium-Amide, -Phosphide, and -Arsenide Nucleophiles","Inorganic Chemistry","2013","52","","3878","3883","10.1021/ic3025815","","x-ray","1.54178","CuKα","","0.0291","0.0245","","","0.0738","0.0773","","","","","","1.136","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334314","16.736","0.0002","14.8988","0.0002","21.2558","0.0003","90","","106.434","0.002","90","","5083.53","0.13","123","1","123","1","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H41 Cr Li N2 Si4 -","- C17 H41 Cr Li N2 Si4 -","- C136 H328 Cr8 Li8 N16 Si32 -","8","2","","Sabine Scheuermayer; Floriana Tuna; Eufemio Moreno Pineda; Michael Bodensteiner; Manfred Scheer; Richard A. Layfield","Transmetalation of Chromocene by Lithium-Amide, -Phosphide, and -Arsenide Nucleophiles","Inorganic Chemistry","2013","52","","3878","3883","10.1021/ic3025815","","x-ray","1.54178","CuKα","","0.0448","0.04","","","0.1053","0.1074","","","","","","0.919","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334315","9.0064","0.001","10.805","0.0013","17.1383","0.0018","90.468","0.009","90.944","0.009","105.076","0.01","1610","0.3","123","1","123","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C22 H46 Cr2 P2 Si4 -","- C22 H46 Cr2 P2 Si4 -","- C44 H92 Cr4 P4 Si8 -","2","1","","Sabine Scheuermayer; Floriana Tuna; Eufemio Moreno Pineda; Michael Bodensteiner; Manfred Scheer; Richard A. Layfield","Transmetalation of Chromocene by Lithium-Amide, -Phosphide, and -Arsenide Nucleophiles","Inorganic Chemistry","2013","52","","3878","3883","10.1021/ic3025815","","x-ray","1.54178","CuKα","","0.0603","0.0409","","","0.0919","0.1017","","","","","","1.009","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334316","13.385","0.003","14.712","0.003","15.573","0.003","90","","90","","90","","3066.6","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H36 N O15 Zn2 -","- C21 H36 N O15 Zn2 -","- C84 H144 N4 O60 Zn8 -","4","1","","Minhak Oh; Lalit Rajput; Dongwook Kim; Dohyun Moon; Myoung Soo Lah","Crystal-to-Crystal Transformations of a Series of Isostructural Metal-Organic Frameworks with Different Sizes of Ligated Solvent Molecules","Inorganic Chemistry","2013","52","","3891","3899","10.1021/ic302641v","","","0.71073","MoKα","","0.1192","0.0973","","","0.2329","0.2588","","","","","","1.074","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334317","14.1069","0.0016","14.1069","0.0016","14.1069","0.0016","90","","90","","90","","2807.3","0.6","173","2","173","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C18 H24 N4 O12 Zn2 -","- C18 H24 N3.99 O11.97 Zn2 -","- C72 H96 N15.96 O47.88 Zn8 -","4","0.333333","","Minhak Oh; Lalit Rajput; Dongwook Kim; Dohyun Moon; Myoung Soo Lah","Crystal-to-Crystal Transformations of a Series of Isostructural Metal-Organic Frameworks with Different Sizes of Ligated Solvent Molecules","Inorganic Chemistry","2013","52","","3891","3899","10.1021/ic302641v","","","0.71073","MoKα","","0.085","0.0691","","","0.1898","0.2134","","","","","","1.061","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334318","12.662","0.003","14.662","0.003","15.434","0.003","90","","90","","90","","2865.3","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 N4 O12 Zn2 -","- C21 H30 N4 O12 Zn2 -","- C84 H120 N16 O48 Zn8 -","4","1","","Minhak Oh; Lalit Rajput; Dongwook Kim; Dohyun Moon; Myoung Soo Lah","Crystal-to-Crystal Transformations of a Series of Isostructural Metal-Organic Frameworks with Different Sizes of Ligated Solvent Molecules","Inorganic Chemistry","2013","52","","3891","3899","10.1021/ic302641v","","","0.71073","MoKα","","0.0436","0.0371","","","0.0794","0.0822","","","","","","1.056","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334319","13.798","0.003","14.375","0.003","15.228","0.003","90","","90","","90","","3020.4","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 N4 O12 Zn2 -","- C24 H25 N4 O12 Zn2 -","- C96 H100 N16 O48 Zn8 -","4","1","","Minhak Oh; Lalit Rajput; Dongwook Kim; Dohyun Moon; Myoung Soo Lah","Crystal-to-Crystal Transformations of a Series of Isostructural Metal-Organic Frameworks with Different Sizes of Ligated Solvent Molecules","Inorganic Chemistry","2013","52","","3891","3899","10.1021/ic302641v","","","0.71073","MoKα","","0.1479","0.114","","","0.2835","0.3178","","","","","","1.053","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334320","11.8071","0.0005","13.1447","0.0006","15.4536","0.0008","70.737","0.004","71.481","0.004","81.584","0.004","2144.58","0.19","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H120 Cl2 Cr2 N2 O6 Si2 -","- C96 H120 Cl2 Cr2 N2 O6 Si2 -","- C96 H120 Cl2 Cr2 N2 O6 Si2 -","1","0.5","","Jamie Hicks; Cameron Jones","Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems","Inorganic Chemistry","2013","52","","3900","3907","10.1021/ic302672a","","","0.71073","MoKα","","0.076","0.0497","","","0.1103","0.1262","","","","","","1.042","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334321","15.1465","0.0012","20.9444","0.0012","17.2104","0.0015","90","","111.995","0.01","90","","5062.4","0.8","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H116 Cl2 Cr2 N2 Si2 -","- C130 H116 Cl2 Cr2 N2 Si2 -","- C260 H232 Cl4 Cr4 N4 Si4 -","2","0.5","","Jamie Hicks; Cameron Jones","Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems","Inorganic Chemistry","2013","52","","3900","3907","10.1021/ic302672a","","","0.71073","MoKα","","0.0902","0.053","","","0.1078","0.1262","","","","","","1.035","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334322","11.7659","0.0004","12.7628","0.0003","17.1373","0.0006","106.413","0.003","103.649","0.003","97.608","0.002","2343.51","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H120 Br2 Mn2 N2 O2 Si2 -","- C108 H120 Br2 Mn2 N2 O2 Si2 -","- C108 H120 Br2 Mn2 N2 O2 Si2 -","1","0.5","","Jamie Hicks; Cameron Jones","Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems","Inorganic Chemistry","2013","52","","3900","3907","10.1021/ic302672a","","","0.71073","MoKα","","0.038","0.0299","","","0.0724","0.0766","","","","","","1.039","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334323","14.1515","0.0006","14.3059","0.0006","14.523","0.0006","103.914","0.004","95.548","0.004","103.95","0.004","2732.2","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C130 H144 Br2 Mn2 N2 O4 Si2 -","- C130 H144 Br2 Mn2 N2 O4 Si2 -","- C130 H144 Br2 Mn2 N2 O4 Si2 -","1","0.5","","Jamie Hicks; Cameron Jones","Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems","Inorganic Chemistry","2013","52","","3900","3907","10.1021/ic302672a","","","0.71073","MoKα","","0.0639","0.0452","","","0.1178","0.128","","","","","","1.053","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334324","16.4622","0.0014","12.6193","0.0007","18.6176","0.0014","90","","114.497","0.01","90","","3519.5","0.5","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C80 H88 Br2 Fe2 N2 O2 Si2 -","- C80 H88 Br2 Fe2 N2 O2 Si2 -","- C160 H176 Br4 Fe4 N4 O4 Si4 -","2","0.5","","Jamie Hicks; Cameron Jones","Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems","Inorganic Chemistry","2013","52","","3900","3907","10.1021/ic302672a","","","0.71073","MoKα","","0.0592","0.0451","","","0.1073","0.1187","","","","","","1.057","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334325","14.0504","0.0004","14.5583","0.0005","15.2887","0.0005","64.52","0.003","70.367","0.003","78.91","0.003","2654.8","0.17","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C129.8 H131.2 Br2 Fe2 N2 O2 Si2 -","- C129.8 H131.2 Br2 Fe2 N2 O2 Si2 -","- C129.8 H131.2 Br2 Fe2 N2 O2 Si2 -","1","0.5","","Jamie Hicks; Cameron Jones","Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems","Inorganic Chemistry","2013","52","","3900","3907","10.1021/ic302672a","","","0.71073","MoKα","","0.0406","0.0318","","","0.0766","0.082","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334326","13.3383","0.0007","18.1137","0.0008","19.0342","0.0011","90","","99.164","0.005","90","","4540.1","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C112.5 H96 Cl2 Co2 N2 Si2 -","- C112.5 H96 Cl2 Co2 N2 Si2 -","- C225 H192 Cl4 Co4 N4 Si4 -","2","0.5","","Jamie Hicks; Cameron Jones","Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems","Inorganic Chemistry","2013","52","","3900","3907","10.1021/ic302672a","","","0.71073","MoKα","","0.0818","0.0605","","","0.1599","0.1802","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334327","11.8902","0.0004","14.0389","0.0004","15.2789","0.0005","81.973","0.002","79.402","0.003","89.569","0.002","2481.94","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C124 H116 Cl2 Co2 N2 O2 Si2 -","- C124 H116 Cl2 Co2 N2 O2 Si2 -","- C124 H116 Cl2 Co2 N2 O2 Si2 -","1","0.5","","Jamie Hicks; Cameron Jones","Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems","Inorganic Chemistry","2013","52","","3900","3907","10.1021/ic302672a","","","0.71073","MoKα","","0.0786","0.0537","","","0.1275","0.1439","","","","","","1.019","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334328","15.6064","0.0005","15.0567","0.0004","30.4145","0.0008","90","","97.485","0.003","90","","7085.9","0.4","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Br N O Si Zn -","- C40 H44 Br N O Si Zn -","- C320 H352 Br8 N8 O8 Si8 Zn8 -","8","1","","Jamie Hicks; Cameron Jones","Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems","Inorganic Chemistry","2013","52","","3900","3907","10.1021/ic302672a","","","0.71073","MoKα","","0.0465","0.0347","","","0.0793","0.0848","","","","","","1.035","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334329","10.6299","0.0004","10.7824","0.0005","19.9387","0.0009","84.799","0.004","89.581","0.003","63.163","0.004","2029.3","0.17","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H42 Br N Si Zn -","- C51 H42 Br N Si Zn -","- C102 H84 Br2 N2 Si2 Zn2 -","2","1","","Jamie Hicks; Cameron Jones","Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems","Inorganic Chemistry","2013","52","","3900","3907","10.1021/ic302672a","","","0.71073","MoKα","","0.0592","0.0523","","","0.159","0.1642","","","","","","1.059","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334330","12.4034","0.0006","29.075","0.0015","13.7895","0.0007","90","","99.485","0.003","90","","4904.9","0.4","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H64 Br2 Li Mn N O3 Si -","- C48 H64 Br2 Li Mn N O3 Si -","- C192 H256 Br8 Li4 Mn4 N4 O12 Si4 -","4","1","","Jamie Hicks; Cameron Jones","Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems","Inorganic Chemistry","2013","52","","3900","3907","10.1021/ic302672a","","","0.71073","MoKα","","0.0579","0.0372","","","0.0878","0.0971","","","","","","1.012","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334331","9.6952","0.0003","16.7946","0.0007","16.9815","0.0006","61.163","0.004","84.133","0.003","89.749","0.003","2406.28","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Br4 Co2 O4 -","- C16 H32 Br4 Co2 O4 -","- C64 H128 Br16 Co8 O16 -","4","2","","Jamie Hicks; Cameron Jones","Extremely Bulky Amido First Row Transition Metal(II) Halide Complexes: Potential Precursors to Low Coordinate Metal-Metal Bonded Systems","Inorganic Chemistry","2013","52","","3900","3907","10.1021/ic302672a","","","0.71073","MoKα","","0.0739","0.0484","","","0.0987","0.1069","","","","","","1.097","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334332","11.024","0.005","11.684","0.005","24.933","0.01","90","","97.362","0.007","90","","3185","2","93","","93","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H40 Co F3 N2 O7 S -","- C31 H40 Co F3 N2 O7 S -","- C124 H160 Co4 F12 N8 O28 S4 -","4","2","","Takuya Kurahashi; Hiroshi Fujii","Unique Ligand-Radical Character of an Activated Cobalt Salen Catalyst That Is Generated by Aerobic Oxidation of a Cobalt(II) Salen Complex","Inorganic Chemistry","2013","52","","3908","3919","10.1021/ic302677f","","","0.7107","MoKα","","","0.0714","","","","0.1918","","","","","","1.045","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334333","5.7404","0.001","7.7327","0.0014","17.87","0.003","90","","90","","90","","793.2","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H7 Cu N O5 S -","- C5 H7 Cu N O5 S -","- C20 H28 Cu4 N4 O20 S4 -","4","1","","Yan-Yan Yin; Yan-Li Zhao; Jian-Gong Ma; Xiao-Chang Cao; Peng Cheng","Synthesis and Chirality Control of Bulk Crystals and Nanocrystals: From a Right-Handed Nonpolar Chain to a Left-Handed Polar Chain","Inorganic Chemistry","2013","52","","3738","3743","10.1021/ic302711b","","","0.71075","MoKα","","0.0956","0.0732","","","0.1276","0.1353","","","","","","1.101","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334334","5.1721","0.001","9.773","0.002","9.867","0.002","90","","102.08","0.02","90","","487.7","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C5 H11 Cu N O7 S -","- C5 H11 Cu N O7 S -","- C10 H22 Cu2 N2 O14 S2 -","2","1","","Yan-Yan Yin; Yan-Li Zhao; Jian-Gong Ma; Xiao-Chang Cao; Peng Cheng","Synthesis and Chirality Control of Bulk Crystals and Nanocrystals: From a Right-Handed Nonpolar Chain to a Left-Handed Polar Chain","Inorganic Chemistry","2013","52","","3738","3743","10.1021/ic302711b","","","0.71073","MoKα","","0.1108","0.098","","","0.2289","0.2389","","","","","","1.018","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334335","26.896","0.004","19.84","0.003","18.129","0.002","90","","115.802","0.006","90","","8709","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(tris((18-crown-6)-potassium) heptakis(m2-oxalato)-tetra-aqua- bis(oxalato)-tri-ruthenium(III)-tri-manganese(II))","","- C54 H80 K3 Mn3 O58 Ru3 -","- C54 H80 K3 Mn3 O58 Ru3 -","- C216 H320 K12 Mn12 O232 Ru12 -","4","0.5","","Alla Dikhtiarenko; Sergei A. Khainakov; Imanol de Pedro; Jesús A. Blanco; José R. García; José Gimeno","Series of 2D Heterometallic Coordination Polymers Based on Ruthenium(III) Oxalate Building Units: Synthesis, Structure, and Catalytic and Magnetic Properties","Inorganic Chemistry","2013","52","","3933","3941","10.1021/ic302725v","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","7.65","1041.86","","","","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334336","26.62","0.003","19.908","0.003","18.009","0.002","90","","115.337","0.005","90","","8625.8","1.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(tris((18-crown-6)-potassium) heptakis(m2-oxalato)-tetra-aqua- bis(oxalato)-tri-ruthenium(III)-tri-iron(II))","","- C54 H80 Fe3 K3 O58 Ru3 -","- C54 H80 Fe3 K3 O58 Ru3 -","- C216 H320 Fe12 K12 O232 Ru12 -","4","0.5","","Alla Dikhtiarenko; Sergei A. Khainakov; Imanol de Pedro; Jesús A. Blanco; José R. García; José Gimeno","Series of 2D Heterometallic Coordination Polymers Based on Ruthenium(III) Oxalate Building Units: Synthesis, Structure, and Catalytic and Magnetic Properties","Inorganic Chemistry","2013","52","","3933","3941","10.1021/ic302725v","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","4.3","793.5","","","","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334337","26.539","0.009","20.025","0.007","18.036","0.006","90","","115.32","0.01","90","","8664","5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(tris((18-crown-6)-potassium) heptakis(m2-oxalato)-tetra-aqua- bis(oxalato)-tri-ruthenium(III)-tri-cobalt(II))","","- C54 H80 Co3 K3 O58 Ru3 -","- C54 H80 Co3 K3 O58 Ru3 -","- C216 H320 Co12 K12 O232 Ru12 -","4","0.5","","Alla Dikhtiarenko; Sergei A. Khainakov; Imanol de Pedro; Jesús A. Blanco; José R. García; José Gimeno","Series of 2D Heterometallic Coordination Polymers Based on Ruthenium(III) Oxalate Building Units: Synthesis, Structure, and Catalytic and Magnetic Properties","Inorganic Chemistry","2013","52","","3933","3941","10.1021/ic302725v","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","8.81","719","","","","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334338","26.547","0.005","19.279","0.004","17.995","0.003","90","","113.82","0.01","90","","8425","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(tris((18-crown-6)-potassium) heptakis(m2-oxalato)-tetra-aqua- bis(oxalato)-tri-ruthenium(III)-tri-copper(II))","","- C54 H80 Cu3 K3 O58 Ru3 -","- C54 H80 Cu3 K3 O58 Ru3 -","- C216 H320 Cu12 K12 O232 Ru12 -","4","0.5","","Alla Dikhtiarenko; Sergei A. Khainakov; Imanol de Pedro; Jesús A. Blanco; José R. García; José Gimeno","Series of 2D Heterometallic Coordination Polymers Based on Ruthenium(III) Oxalate Building Units: Synthesis, Structure, and Catalytic and Magnetic Properties","Inorganic Chemistry","2013","52","","3933","3941","10.1021/ic302725v","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","14.3","4006","","","","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334339","26.593","0.007","19.23","0.007","18.192","0.004","90","","114.06","0.01","90","","8495","4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","catena-(tris((18-crown-6)-potassium) heptakis(m2-oxalato)-tetra-aqua- bis(oxalato)-tri-ruthenium(III)-tri-zinc(II))","","- C54 H80 K3 O58 Ru3 Zn3 -","- C54 H80 K3 O58 Ru3 Zn3 -","- C216 H320 K12 O232 Ru12 Zn12 -","4","0.5","","Alla Dikhtiarenko; Sergei A. Khainakov; Imanol de Pedro; Jesús A. Blanco; José R. García; José Gimeno","Series of 2D Heterometallic Coordination Polymers Based on Ruthenium(III) Oxalate Building Units: Synthesis, Structure, and Catalytic and Magnetic Properties","Inorganic Chemistry","2013","52","","3933","3941","10.1021/ic302725v","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","7.86","2047","","","","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334340","14.0692","0.0003","16.5028","0.0004","19.8725","0.0005","90","","133.358","0.001","90","","3354.75","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H39 Mo2 N O4 P Re -","- C30 H39 Mo2 N O4 P Re -","- C120 H156 Mo8 N4 O16 P4 Re4 -","4","1","","M. Angeles Alvarez; M. Esther García; Miguel A. Ruiz; Adrián Toyos; M. Fernanda Vega","Low-Temperature N-O Bond Cleavage and Reversible N-P Bond Formation Processes in the Reactions of the Unsaturated Anions [M2(η5-C5H5)2(μ-PCy2)(μ-CO)2]- (M = Mo, W) with the Nitrosyl Complex [Re(η5-C5H4Me)(CO)2(NO)]+","Inorganic Chemistry","2013","52","","3942","3952","10.1021/ic3027489","","x-ray","1.54184","CuKα","","0.0595","0.0447","","","0.1103","0.12","","","","","","1.037","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334341","35.5058","0.0019","11.0077","0.0004","17.6403","0.0009","90","","113.516","0.006","90","","6321.9","0.6","150","0.1","150","0.1","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 N O5 P Re W2 -","- C32 H39 N O5 P Re W2 -","- C256 H312 N8 O40 P8 Re8 W16 -","8","1","","M. Angeles Alvarez; M. Esther García; Miguel A. Ruiz; Adrián Toyos; M. Fernanda Vega","Low-Temperature N-O Bond Cleavage and Reversible N-P Bond Formation Processes in the Reactions of the Unsaturated Anions [M2(η5-C5H5)2(μ-PCy2)(μ-CO)2]- (M = Mo, W) with the Nitrosyl Complex [Re(η5-C5H4Me)(CO)2(NO)]+","Inorganic Chemistry","2013","52","","3942","3952","10.1021/ic3027489","","x-ray","1.54184","CuKα","","0.0605","0.0522","","","0.15","0.1585","","","","","","1.067","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334342","16.843","0.0008","22.489","0.0009","15.6359","0.0006","90","","100.911","0.004","90","","5815.5","0.4","123","0.1","123","0.1","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H71 N2 O5 P2 Re W4 -","- C53 H71 N2 O5 P2 Re W4 -","- C212 H284 N8 O20 P8 Re4 W16 -","4","1","","M. Angeles Alvarez; M. Esther García; Miguel A. Ruiz; Adrián Toyos; M. Fernanda Vega","Low-Temperature N-O Bond Cleavage and Reversible N-P Bond Formation Processes in the Reactions of the Unsaturated Anions [M2(η5-C5H5)2(μ-PCy2)(μ-CO)2]- (M = Mo, W) with the Nitrosyl Complex [Re(η5-C5H4Me)(CO)2(NO)]+","Inorganic Chemistry","2013","52","","3942","3952","10.1021/ic3027489","","x-ray","1.54184","CuKα","","0.0719","0.0631","","","0.1595","0.173","","","","","","1.042","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334343","12.411","0.001","12.411","0.001","12.345","0.001","90","","90","","120","","1646.8","0.2","293","","293","","","","","","","","synthesis as described","2","P 63","P 6c","173","","","","- Mg9 Si5 -","- Mg9 Si5.00167 -","- Mg54 Si30.01 -","6","1","","Shidong Ji; Motoharu Imai; Haikui Zhu; Shoji Yamanaka","Structural Characterization of Magnesium-Based Compounds Mg9Si5 and Mg4Si3Al (Superconductor) Synthesized under High Pressure and High Temperature Conditions","Inorganic Chemistry","2013","52","","3953","3961","10.1021/ic3027539","","x-ray","0.71069","MoKα","","0.0198","0.0149","","","0.0345","0.0364","","","","","","1.134","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334344","6.7225","0.0005","6.7225","0.0005","13.515","0.0009","90","","90","","90","","610.77","0.08","293","","293","","","","","","","","synthesis as described","3","P 4/n c c :2","-P 4a 2ac","130","","","","- Al Mg4 Si3 -","- Al Mg4 Si3 -","- Al4 Mg16 Si12 -","4","0.25","","Shidong Ji; Motoharu Imai; Haikui Zhu; Shoji Yamanaka","Structural Characterization of Magnesium-Based Compounds Mg9Si5 and Mg4Si3Al (Superconductor) Synthesized under High Pressure and High Temperature Conditions","Inorganic Chemistry","2013","52","","3953","3961","10.1021/ic3027539","","x-ray","0.71069","MoKα","","0.0414","0.031","","","0.0687","0.0728","","","","","","1.143","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334345","20.1818","0.0003","30.2868","0.0005","19.7451","0.0003","90","","90.688","0.0006","90","","12068.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C119 H111 N21 O32 Zn4 -","- C119 H105 N21 O32 Zn4 -","- C476 H420 N84 O128 Zn16 -","4","1","","Cheng-Hua Lee; Hung-Yu Huang; Yen-Hsiang Liu; Tzuoo-Tsair Luo; Gene-Hsiang Lee; Shie-Ming Peng; Jyh-Chiang Jiang; Ito Chao; Kuang-Lieh Lu","Cooperative Effect of Unsheltered Amide Groups on CO2 Adsorption Inside Open-Ended Channels of a Zinc(II)-Organic Framework","Inorganic Chemistry","2013","52","","3962","3968","10.1021/ic302758g","","","0.71073","MoKα","","0.13","0.1169","","","0.3184","0.3263","","","","","","1.385","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334346","12.436","0.0005","9.9111","0.0004","34.8517","0.0015","90","","91.261","0.001","90","","4294.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H70 Ru2 Sn2 -","- C44 H70 Ru2 Sn2 -","- C176 H280 Ru8 Sn8 -","4","1","","Takuya Kuwabara; Masaichi Saito; Jing-Dong Guo; Shigeru Nagase","Unexpected Formation of Ru2Sn2 Bicyclic Four-Membered Ring Complexes with Butterfly and Inverse-Sandwich Structures","Inorganic Chemistry","2013","52","","3585","3587","10.1021/ic302782n","","","0.71073","MoKα","","0.0732","0.0487","","","0.0933","0.1101","","","","","","1.008","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334347","19.456","0.002","21.117","0.002","13.2177","0.0014","90","","91.16","0.001","90","","5429.4","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H90 Li2 O2 Ru2 Sn2 -","- C52 H90 Li2 O2 Ru2 Sn2 -","- C208 H360 Li8 O8 Ru8 Sn8 -","4","1","","Takuya Kuwabara; Masaichi Saito; Jing-Dong Guo; Shigeru Nagase","Unexpected Formation of Ru2Sn2 Bicyclic Four-Membered Ring Complexes with Butterfly and Inverse-Sandwich Structures","Inorganic Chemistry","2013","52","","3585","3587","10.1021/ic302782n","","","0.71073","MoKα","","0.0596","0.0388","","","0.0779","0.0868","","","","","","1.008","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334348","12.113","0.0009","12.7063","0.0009","13.1498","0.0009","97.109","0.004","95.005","0.004","118.087","0.004","1747.2","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H76 Cl2 Cu N16 Ni4 O16 -","- C64 H76 Cl2 Cu N16 Ni4 O16 -","- C64 H76 Cl2 Cu N16 Ni4 O16 -","1","0.5","","Koushik Pramanik; Pijush Malpaharia; Antonio J. Mota; Enrique Colacio; Babulal Das; F. Lloret; Swapan K. Chandra","Stepwise Formation of a Pentanuclear Ni4Cu Heterometallic Complex Exhibiting a Vertex-Sharing Defective Double-Cubane Core and Diphenoxo- and Phenoxo/Azide Bridging Groups: A Magnetostructural and DFT Theoretical Study","Inorganic Chemistry","2013","52","","3995","4001","10.1021/ic302784q","","","0.71073","MoKα","","0.1107","0.0582","","","0.1368","0.1599","","","","","","1.078","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334349","3.9218","0.0001","3.9218","0.0001","3.9218","0.0001","90","","90","","90","","60.319","0.003","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","","","","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Mikiko Ochi; Ikuya Yamada; Kenya Ohgushi; Yoshihiro Kusano; Masaichiro Mizumaki; Ryoji Takahashi; Shunsuke Yagi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune","B-Site Deficiencies in A-site-Ordered Perovskite LaCu3Pt3.75O12","Inorganic Chemistry","2013","52","","3985","3989","10.1021/ic302809v","powder diffraction","","0.51852","","","0.01834","","","","","","0.05302","0.03608","1.243","","","","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334350","7.5405","0.0001","7.5405","0.0001","7.5405","0.0001","90","","90","","90","","428.746","0.01","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 La O12 Pt3.73229 -","- Cu3 La O12 Pt3.732 -","- Cu6 La2 O24 Pt7.464 -","2","0.0416667","","Mikiko Ochi; Ikuya Yamada; Kenya Ohgushi; Yoshihiro Kusano; Masaichiro Mizumaki; Ryoji Takahashi; Shunsuke Yagi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune","B-Site Deficiencies in A-site-Ordered Perovskite LaCu3Pt3.75O12","Inorganic Chemistry","2013","52","","3985","3989","10.1021/ic302809v","powder diffraction","","0.51852","","","0.01784","","","","","","0.02014","0.02901","1.243","","","","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334351","17.733","0.0009","10.5568","0.0005","15.4698","0.0011","90","","94.383","0.002","90","","2887.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 F14 N5 O P2 Ru -","- C25 H19 F14 N5 O P2 Ru -","- C100 H76 F56 N20 O4 P8 Ru4 -","4","1","","Somnath Maji; Isidoro López; Fernando Bozoglian; J. Benet-Buchholz; Antoni Llobet","Mononuclear Ruthenium-Water Oxidation Catalysts: Discerning between Electronic and Hydrogen-Bonding Effects","Inorganic Chemistry","2013","52","","3591","3593","10.1021/ic3028176","","","0.71073","MoKα","","0.0609","0.0441","","","0.1066","0.1178","","","","","","1.028","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334352","8.7675","0.0005","10.2895","0.0006","19.803","0.0012","93.861","0.002","100.183","0.003","109.94","0.002","1637.14","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H25 F14 N5 O2 P2 Ru -","- C28 H25 F14 N5 O2 P2 Ru -","- C56 H50 F28 N10 O4 P4 Ru2 -","2","1","","Somnath Maji; Isidoro López; Fernando Bozoglian; J. Benet-Buchholz; Antoni Llobet","Mononuclear Ruthenium-Water Oxidation Catalysts: Discerning between Electronic and Hydrogen-Bonding Effects","Inorganic Chemistry","2013","52","","3591","3593","10.1021/ic3028176","","","0.71073","MoKα","","0.0278","0.0256","","","0.0685","0.0721","","","","","","1.119","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334353","12.9215","0.0005","14.1331","0.0006","21.8864","0.0009","85.519","0.002","77.383","0.002","84.823","0.002","3877.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H61 Gd4 N22 O34 -","- C60 H47 Gd4 N22 O34 -","- C120 H94 Gd8 N44 O68 -","2","1","","Sumi Ganguly; Pradip Pachfule; Sukhen Bala; Arijit Goswami; Sudeshna Bhattacharya; Raju Mondal","Azide-Functionalized Lanthanide-Based Metal-Organic Frameworks Showing Selective CO2 Gas Adsorption and Postsynthetic Cavity Expansion","Inorganic Chemistry","2013","52","","3588","3590","10.1021/ic302823r","","","0.71073","MoKα","","0.0678","0.045","","","0.1004","0.1089","","","","","","1.049","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334354","9.5713","0.001","9.9024","0.001","12.3279","0.0013","100.634","0.003","91.382","0.003","111.021","0.002","1066.73","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N6 O12 Pr -","- C16 H15 N6 O12 Pr -","- C32 H30 N12 O24 Pr2 -","2","1","","Sumi Ganguly; Pradip Pachfule; Sukhen Bala; Arijit Goswami; Sudeshna Bhattacharya; Raju Mondal","Azide-Functionalized Lanthanide-Based Metal-Organic Frameworks Showing Selective CO2 Gas Adsorption and Postsynthetic Cavity Expansion","Inorganic Chemistry","2013","52","","3588","3590","10.1021/ic302823r","","","0.71073","MoKα","","0.0218","0.0205","","","0.0522","0.0529","","","","","","1.046","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334355","6.9491","0.0004","6.9502","0.0004","9.9102","0.0005","94.695","0.002","98.659","0.002","110.512","0.002","438.48","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Eu2 Ge4 K4 O16 U -","- Eu2 Ge4 K4 O16 U -","- Eu2 Ge4 K4 O16 U -","1","0.5","","Shih-Pu Liu; Meng-Ling Chen; Bor-Chen Chang; Kwang-Hwa Lii","Flux Synthesis, Crystal Structure, and Photoluminescence of a Heterometallic Uranyl-Europium Germanate with U=O-Eu Linkage: K4[(UO2)Eu2(Ge2O7)2]","Inorganic Chemistry","2013","52","","3990","3994","10.1021/ic302826u","","","0.71073","MoKα","","0.0155","0.0148","","","0.0331","0.0334","","","","","","1.1","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334356","10.6927","0.0006","20.598","0.001","18.6984","0.0008","90","","101.503","0.003","90","","4035.6","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Cl2 Cu Fe N5 O14 -","- C36 H38 Cl2 Cu Fe N5 O14 -","- C144 H152 Cl8 Cu4 Fe4 N20 O56 -","4","1","","Bernardo de Souza; Gabriel L. Kreft; Tiago Bortolotto; Hernán Terenzi; Adailton J. Bortoluzzi; Eduardo E. Castellano; Rosely A. Peralta; Josiel B. Domingos; Ademir Neves","Second-Coordination-Sphere Effects Increase the Catalytic Efficiency of an Extended Model for FeIIIMII Purple Acid Phosphatases","Inorganic Chemistry","2013","52","","3594","3596","10.1021/ic400025j","","x-ray","0.71073","MoKα","","0.1198","0.0754","","","0.2208","0.2483","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334357","9.8427","0.0014","9.846","0.0014","16.783","0.002","93.924","0.017","93.825","0.017","100.907","0.017","1588.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H46 Ce N2 O4 -","- C26 H46 Ce N2 O4 -","- C52 H92 Ce2 N4 O8 -","2","1","","Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur","Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))","Inorganic Chemistry","2013","52","","4002","4010","10.1021/ic400030j","","","0.71073","MoKα","","0.0777","0.0399","","","0.0808","0.0905","","","","","","0.813","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334358","18.116","0.005","18.116","0.005","10.989","0.005","90","0.005","90","0.005","120","0.005","3123.3","1.9","293","2","293","2","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- C40 H90 Ce3 O11 -","- C40 H96 Ce3 O11 -","- C80 H192 Ce6 O22 -","2","0.166667","","Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur","Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))","Inorganic Chemistry","2013","52","","4002","4010","10.1021/ic400030j","","","0.71073","MoKα","","0.0619","0.0345","","","0.0895","0.0968","","","","","","0.855","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334359","17.0121","0.0004","18.0594","0.0004","19.6945","0.0006","90","","90","","90","","6050.7","0.3","170","2","170","2","","","","","","","","5","P c 21 b","P -2bc -2c","29","","","","- C44 H97 Ce2 K O11 -","- C44 H97 Ce2 K O11 -","- C176 H388 Ce8 K4 O44 -","4","1","","Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur","Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))","Inorganic Chemistry","2013","52","","4002","4010","10.1021/ic400030j","","","0.71073","MoKα","","0.0566","0.0477","","","0.1242","0.1318","","","","","","1.053","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334360","15.775","0.005","15.775","0.005","13.208","0.005","90","0.005","90","0.005","120","0.005","2846.5","1.7","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C28 H63 Al Ce O7 -","- C28 H69 Al Ce O7 -","- C84 H207 Al3 Ce3 O21 -","3","0.166667","","Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur","Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))","Inorganic Chemistry","2013","52","","4002","4010","10.1021/ic400030j","","","0.71073","MoKα","","0.034","0.0339","","","0.0835","0.0844","","","","","","1.091","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334361","15.815","0.005","15.815","0.005","13.272","0.005","90","0.005","90","0.005","120","0.005","2874.8","1.7","293","2","293","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C28 H63 Ce Fe O7 -","- C28 H69 Ce Fe O7 -","- C84 H207 Ce3 Fe3 O21 -","3","0.166667","","Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur","Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))","Inorganic Chemistry","2013","52","","4002","4010","10.1021/ic400030j","","","0.71073","MoKα","","0.0397","0.039","","","0.0996","0.1004","","","","","","1.117","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334362","12.63","0.0004","24.4223","0.0005","14.5476","0.0005","90","","114.786","0.002","90","","4073.9","0.2","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H68 Al Ce N O7 -","- C33 H68 Al Ce N O7 -","- C132 H272 Al4 Ce4 N4 O28 -","4","1","","Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur","Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))","Inorganic Chemistry","2013","52","","4002","4010","10.1021/ic400030j","","","0.71073","MoKα","","0.0475","0.0348","","","0.0855","0.091","","","","","","1.052","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334363","13.0628","0.001","24.8672","0.0019","14.7322","0.0011","90","","116.151","0.005","90","","4295.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H68 Ce Fe N O7 -","- C33 H68 Ce Fe N O7 -","- C132 H272 Ce4 Fe4 N4 O28 -","4","1","","Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur","Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))","Inorganic Chemistry","2013","52","","4002","4010","10.1021/ic400030j","","","0.71073","MoKα","","0.0898","0.0569","","","0.1398","0.1577","","","","","","0.916","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334364","19.762","0.005","10.172","0.005","20.194","0.005","90","","103.3","0.005","90","","3951","2","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H54 Ce Ge Mo O11 -","- C29 H54 Ce Ge Mo O11 -","- C116 H216 Ce4 Ge4 Mo4 O44 -","4","1","","Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur","Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))","Inorganic Chemistry","2013","52","","4002","4010","10.1021/ic400030j","","","0.71073","MoKα","","0.0418","0.0362","","","0.0936","0.0969","","","","","","1.063","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334365","20.53","0.004","10.2424","0.0011","20.544","0.004","90","","103.761","0.015","90","","4195.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C29 H54 Ce Mo O11 Sn -","- C29 H54 Ce Mo O11 Sn -","- C116 H216 Ce4 Mo4 O44 Sn4 -","4","1","","Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur","Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))","Inorganic Chemistry","2013","52","","4002","4010","10.1021/ic400030j","","","0.71073","MoKα","","0.2129","0.0543","","","0.0761","0.1022","","","","","","0.735","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334366","13.4152","0.001","10.5295","0.0008","18.0915","0.0013","90","","105.942","0.002","90","","2457.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H41 Cl2 Fe N P4 -","- C16 H41 Cl2 Fe N P4 -","- C64 H164 Cl8 Fe4 N4 P16 -","4","1","","Zachariah M. Heiden; Shentan Chen; Michael T. Mock; William G. Dougherty; W. Scott Kassel; Roger Rousseau; R. Morris Bullock","Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine","Inorganic Chemistry","2013","52","","4026","4039","10.1021/ic4000704","","","0.71073","MoKα","","0.0353","0.0257","","","0.0603","0.0647","","","","","","1.019","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334367","15.5595","0.0007","9.9793","0.0004","15.8296","0.0007","90","","90.668","0.001","90","","2457.74","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H41 Br2 Fe N P4 -","- C16 H41 Br2 Fe N P4 -","- C64 H164 Br8 Fe4 N4 P16 -","4","1","","Zachariah M. Heiden; Shentan Chen; Michael T. Mock; William G. Dougherty; W. Scott Kassel; Roger Rousseau; R. Morris Bullock","Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine","Inorganic Chemistry","2013","52","","4026","4039","10.1021/ic4000704","","","0.71073","MoKα","","0.0664","0.0343","","","0.0577","0.0649","","","","","","1.008","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334368","16.431","0.002","19.339","0.003","7.6498","0.0009","90","","90","","90","","2430.8","0.6","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H42 Br Fe N P4 -","- C16 H42 Br Fe N P4 -","- C64 H168 Br4 Fe4 N4 P16 -","4","1","","Zachariah M. Heiden; Shentan Chen; Michael T. Mock; William G. Dougherty; W. Scott Kassel; Roger Rousseau; R. Morris Bullock","Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine","Inorganic Chemistry","2013","52","","4026","4039","10.1021/ic4000704","","","0.71073","MoKα","","0.0772","0.0424","","","0.0613","0.0689","","","","","","1.011","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334369","17.1436","0.0012","13.5251","0.0009","19.9083","0.0013","90","","90.706","0.004","90","","4615.8","0.5","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 B F20 Fe N3 P4 -","- C40 H42 B F20 Fe N3 P4 -","- C160 H168 B4 F80 Fe4 N12 P16 -","4","1","","Zachariah M. Heiden; Shentan Chen; Michael T. Mock; William G. Dougherty; W. Scott Kassel; Roger Rousseau; R. Morris Bullock","Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine","Inorganic Chemistry","2013","52","","4026","4039","10.1021/ic4000704","","","0.71073","MoKα","","0.0469","0.0331","","","0.0845","0.0919","","","","","","1.012","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334370","19.253","0.003","9.9426","0.0016","23.458","0.004","90","","99.044","0.005","90","","4434.6","1.2","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H65 B Cl Fe N O1.5 P4 -","- C41 H61 B Cl Fe N O P4 -","- C164 H244 B4 Cl4 Fe4 N4 O4 P16 -","4","1","","Zachariah M. Heiden; Shentan Chen; Michael T. Mock; William G. Dougherty; W. Scott Kassel; Roger Rousseau; R. Morris Bullock","Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine","Inorganic Chemistry","2013","52","","4026","4039","10.1021/ic4000704","","","0.71073","MoKα","","0.0739","0.0467","","","0.1201","0.1299","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334371","19.3987","0.0014","9.8949","0.0007","23.4389","0.0016","90","","98.601","0.002","90","","4448.5","0.5","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H65 B Br Fe N O1.5 P4 -","- C43 H65 B Br Fe N O1.5 P4 -","- C172 H260 B4 Br4 Fe4 N4 O6 P16 -","4","1","","Zachariah M. Heiden; Shentan Chen; Michael T. Mock; William G. Dougherty; W. Scott Kassel; Roger Rousseau; R. Morris Bullock","Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine","Inorganic Chemistry","2013","52","","4026","4039","10.1021/ic4000704","","","0.71073","MoKα","","0.0742","0.0407","","","0.0901","0.1018","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334372","10.2019","0.0012","16.764","0.002","16.945","0.0019","88.39","0.004","89.899","0.004","85.777","0.004","2889","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H54 Fe N2 P4 -","- C22 H54 Fe N2 P4 -","- C88 H216 Fe4 N8 P16 -","4","2","","Zachariah M. Heiden; Shentan Chen; Michael T. Mock; William G. Dougherty; W. Scott Kassel; Roger Rousseau; R. Morris Bullock","Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine","Inorganic Chemistry","2013","52","","4026","4039","10.1021/ic4000704","","","0.71073","MoKα","","0.0677","0.0384","","","0.0766","0.0867","","","","","","1.012","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334373","17.261","0.002","13.4668","0.0018","19.843","0.003","90","","90.519","0.007","90","","4612.3","1.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H45 B F20 Fe N2 P4 -","- C40 H45 B F20 Fe N2 P4 -","- C160 H180 B4 F80 Fe4 N8 P16 -","4","1","","Zachariah M. Heiden; Shentan Chen; Michael T. Mock; William G. Dougherty; W. Scott Kassel; Roger Rousseau; R. Morris Bullock","Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine","Inorganic Chemistry","2013","52","","4026","4039","10.1021/ic4000704","","","0.71073","MoKα","","0.1145","0.0526","","","0.108","0.1282","","","","","","1.013","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334374","9.605","0.0009","12.8009","0.0012","14.4899","0.0014","90","","98.665","0.002","90","","1761.2","0.3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Ag N5 O7 -","- C18 H12 Ag N5 O7 -","- C72 H48 Ag4 N20 O28 -","4","0.5","","Alshima'a A. Massoud; Vratislav Langer; Yousry M. Gohar; Morsy A. M. Abu-Youssef; Janne Jänis; Gabriella Lindberg; Karl Hansson; Lars Öhrström","Effects of Different Substituents on the Crystal Structures and Antimicrobial Activities of Six Ag(I) Quinoline Compounds","Inorganic Chemistry","2013","52","","4046","4060","10.1021/ic400081v","","","0.71073","MoKα","","0.1202","0.046","","","0.0704","0.0833","","","","","","0.994","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334375","7.9616","0.0006","15.449","0.0012","15.8779","0.0012","98.573","0.002","90.058","0.002","94.064","0.002","1926.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Ag N5 O8 -","- C18 H14 Ag N5 O8 -","- C72 H56 Ag4 N20 O32 -","4","2","","Alshima'a A. Massoud; Vratislav Langer; Yousry M. Gohar; Morsy A. M. Abu-Youssef; Janne Jänis; Gabriella Lindberg; Karl Hansson; Lars Öhrström","Effects of Different Substituents on the Crystal Structures and Antimicrobial Activities of Six Ag(I) Quinoline Compounds","Inorganic Chemistry","2013","52","","4046","4060","10.1021/ic400081v","","","0.71073","MoKα","","0.0601","0.0412","","","0.0802","0.0872","","","","","","0.987","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334376","7.3567","0.0007","18.0436","0.0018","9.1905","0.0009","90","","110.107","0.002","90","","1145.61","0.19","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag N3 O6 -","- C10 H8 Ag N3 O6 -","- C40 H32 Ag4 N12 O24 -","4","1","","Alshima'a A. Massoud; Vratislav Langer; Yousry M. Gohar; Morsy A. M. Abu-Youssef; Janne Jänis; Gabriella Lindberg; Karl Hansson; Lars Öhrström","Effects of Different Substituents on the Crystal Structures and Antimicrobial Activities of Six Ag(I) Quinoline Compounds","Inorganic Chemistry","2013","52","","4046","4060","10.1021/ic400081v","","","0.71073","MoKα","","0.0376","0.0286","","","0.0778","0.0843","","","","","","1.002","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334377","14.14","0.004","9.621","0.003","7.429","0.002","90","","98.177","0.006","90","","1000.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Ag N3 O3 -","- C10 H6 Ag N3 O3 -","- C40 H24 Ag4 N12 O12 -","4","1","","Alshima'a A. Massoud; Vratislav Langer; Yousry M. Gohar; Morsy A. M. Abu-Youssef; Janne Jänis; Gabriella Lindberg; Karl Hansson; Lars Öhrström","Effects of Different Substituents on the Crystal Structures and Antimicrobial Activities of Six Ag(I) Quinoline Compounds","Inorganic Chemistry","2013","52","","4046","4060","10.1021/ic400081v","","","0.71073","MoKα","","0.066","0.054","","","0.1395","0.1522","","","","","","1.006","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334378","23.249","0.003","9.9554","0.0012","7.5745","0.001","90","","91.828","0.002","90","","1752.2","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Ag N5 O3 -","- C20 H12 Ag N5 O3 -","- C80 H48 Ag4 N20 O12 -","4","0.5","","Alshima'a A. Massoud; Vratislav Langer; Yousry M. Gohar; Morsy A. M. Abu-Youssef; Janne Jänis; Gabriella Lindberg; Karl Hansson; Lars Öhrström","Effects of Different Substituents on the Crystal Structures and Antimicrobial Activities of Six Ag(I) Quinoline Compounds","Inorganic Chemistry","2013","52","","4046","4060","10.1021/ic400081v","","","0.71073","MoKα","","0.0659","0.0417","","","0.0954","0.1076","","","","","","1.028","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334379","8.4656","0.0008","10.271","0.001","12.4453","0.0012","67.326","0.002","76.277","0.002","66.925","0.002","913.86","0.15","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Ag N3 O7 -","- C20 H14 Ag N3 O7 -","- C40 H28 Ag2 N6 O14 -","2","1","","Alshima'a A. Massoud; Vratislav Langer; Yousry M. Gohar; Morsy A. M. Abu-Youssef; Janne Jänis; Gabriella Lindberg; Karl Hansson; Lars Öhrström","Effects of Different Substituents on the Crystal Structures and Antimicrobial Activities of Six Ag(I) Quinoline Compounds","Inorganic Chemistry","2013","52","","4046","4060","10.1021/ic400081v","","","0.71073","MoKα","","0.0409","0.0309","","","0.076","0.0816","","","","","","1","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334380","38.07","0.008","11.795","0.002","26.95","0.005","90","","105.76","0.03","90","","11647","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C132 H104 B2 N12 Ru2 -","- C132 H104 B2 N12 Ru2 -","- C528 H416 B8 N48 Ru8 -","4","0.5","","Chang-Jiang Yao; Yu-Wu Zhong; Jiannian Yao","Multi-Center Redox-Active System: Amine-Amine Electronic Coupling through a Cyclometalated Bisruthenium Segment","Inorganic Chemistry","2013","52","","4040","4045","10.1021/ic400082z","","","0.71073","MoKα","","0.1878","0.1364","","","0.2892","0.3204","","","","","","1.169","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334381","6.692","0.0007","10.8533","0.0011","11.287","0.0012","109.681","0.002","92.116","0.002","98.078","0.002","761.1","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Ag2 F12 N8 P2 -","- C22 H32 Ag2 F12 N8 P2 -","- C22 H32 Ag2 F12 N8 P2 -","1","0.5","","Juan Gil-Rubio; Verónica Cámara; Delia Bautista; José Vicente","Mono- and Dinuclear Ag(I), Au(I), and Au(III) Metallamacrocycles Containing N-Heterocyclic Dicarbene Ligands","Inorganic Chemistry","2013","52","","4071","4083","10.1021/ic400184p","","","0.71073","MoKα","","0.0627","0.0604","","","0.1302","0.1313","","","","","","1.268","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334382","11.6722","0.0012","11.8585","0.0012","13.1933","0.0013","84.831","0.002","86.715","0.002","61.664","0.002","1600.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H32 Au2 F6 N8 O6 S2 -","- C24 H32 Au2 F6 N8 O6 S2 -","- C48 H64 Au4 F12 N16 O12 S4 -","2","1","","Juan Gil-Rubio; Verónica Cámara; Delia Bautista; José Vicente","Mono- and Dinuclear Ag(I), Au(I), and Au(III) Metallamacrocycles Containing N-Heterocyclic Dicarbene Ligands","Inorganic Chemistry","2013","52","","4071","4083","10.1021/ic400184p","","","0.71073","MoKα","","0.049","0.0418","","","0.0884","0.0916","","","","","","1.12","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334383","12.4763","0.0009","14.0791","0.0011","14.4855","0.0011","90","","91.767","0.001","90","","2543.2","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H26 Au F3 I2 N4 O3 S -","- C17 H26 Au F3 I2 N4 O3 S -","- C68 H104 Au4 F12 I8 N16 O12 S4 -","4","1","","Juan Gil-Rubio; Verónica Cámara; Delia Bautista; José Vicente","Mono- and Dinuclear Ag(I), Au(I), and Au(III) Metallamacrocycles Containing N-Heterocyclic Dicarbene Ligands","Inorganic Chemistry","2013","52","","4071","4083","10.1021/ic400184p","","","0.71073","MoKα","","0.0212","0.0192","","","0.0445","0.0451","","","","","","1.082","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334384","10.4272","0.0007","20.5217","0.0015","19.2561","0.0014","90","","105.334","0.001","90","","3973.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Ag0.5 Au Br1.5 N4 -","- C16 H26 Ag0.5 Au Br1.5 N4 -","- C128 H208 Ag4 Au8 Br12 N32 -","8","1","","Juan Gil-Rubio; Verónica Cámara; Delia Bautista; José Vicente","Mono- and Dinuclear Ag(I), Au(I), and Au(III) Metallamacrocycles Containing N-Heterocyclic Dicarbene Ligands","Inorganic Chemistry","2013","52","","4071","4083","10.1021/ic400184p","","","0.71073","MoKα","","0.034","0.0272","","","0.0572","0.0592","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334385","11.3478","0.0008","18.1962","0.0013","18.3462","0.0013","90","","103.553","0.002","90","","3682.8","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Au Br N4 -","- C16 H26 Au Br N4 -","- C128 H208 Au8 Br8 N32 -","8","1","","Juan Gil-Rubio; Verónica Cámara; Delia Bautista; José Vicente","Mono- and Dinuclear Ag(I), Au(I), and Au(III) Metallamacrocycles Containing N-Heterocyclic Dicarbene Ligands","Inorganic Chemistry","2013","52","","4071","4083","10.1021/ic400184p","","","0.71073","MoKα","","0.0183","0.017","","","0.0389","0.0393","","","","","","1.114","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334386","8.3251","0.0008","13.3513","0.0012","18.0199","0.0017","90","","90","","90","","2002.9","0.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C16 H24 Ag F3 N4 O3 S -","- C16 H24 Ag F3 N4 O3 S -","- C64 H96 Ag4 F12 N16 O12 S4 -","4","0.5","","Juan Gil-Rubio; Verónica Cámara; Delia Bautista; José Vicente","Mono- and Dinuclear Ag(I), Au(I), and Au(III) Metallamacrocycles Containing N-Heterocyclic Dicarbene Ligands","Inorganic Chemistry","2013","52","","4071","4083","10.1021/ic400184p","","","0.71073","MoKα","","0.0459","0.0401","","","0.0786","0.0808","","","","","","1.176","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334387","8.044","0.0001","7.4377","0.0001","14.7456","0.0002","90","","97.274","0.002","90","","875.11","0.02","173","0.2","173","0.2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- Bi2 O10 Se3 -","- Bi2 O10 Se3 -","- Bi8 O40 Se12 -","4","0.5","","Eun Pyo Lee; Seung Yoon Song; Dong Woo Lee; Kang Min Ok","New Bismuth Selenium Oxides: Syntheses, Structures, and Characterizations of Centrosymmetric Bi2(SeO3)2(SeO4) and Bi2(TeO3)2(SeO4) and Noncentrosymmetric Bi(SeO3)(HSeO3)","Inorganic Chemistry","2013","52","","4097","4103","10.1021/ic4002384","","","0.71073","MoKα","","0.0311","0.0269","","","0.0639","0.0712","","","","","","1.123","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334388","8.0995","0.0002","7.4835","0.0002","14.8219","0.0005","90","","97.824","0.003","90","","890.03","0.04","173","0.2","173","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- Bi2 O10 Se Te2 -","- Bi2 O10 Se Te2 -","- Bi8 O40 Se4 Te8 -","4","0.5","","Eun Pyo Lee; Seung Yoon Song; Dong Woo Lee; Kang Min Ok","New Bismuth Selenium Oxides: Syntheses, Structures, and Characterizations of Centrosymmetric Bi2(SeO3)2(SeO4) and Bi2(TeO3)2(SeO4) and Noncentrosymmetric Bi(SeO3)(HSeO3)","Inorganic Chemistry","2013","52","","4097","4103","10.1021/ic4002384","","","0.71073","MoKα","","0.0722","0.047","","","0.1312","0.1383","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334389","5.5407","0.0004","6.6746","0.0004","15.4756","0.0012","90","","90.003","0.005","90","","572.32","0.07","173","0.2","173","0.2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Bi H O6 Se2 -","- Bi H O6 Se2 -","- Bi4 H4 O24 Se8 -","4","1","","Eun Pyo Lee; Seung Yoon Song; Dong Woo Lee; Kang Min Ok","New Bismuth Selenium Oxides: Syntheses, Structures, and Characterizations of Centrosymmetric Bi2(SeO3)2(SeO4) and Bi2(TeO3)2(SeO4) and Noncentrosymmetric Bi(SeO3)(HSeO3)","Inorganic Chemistry","2013","52","","4097","4103","10.1021/ic4002384","","","0.71073","MoKα","","0.0555","0.0485","","","0.1206","0.1512","","","","","","1.127","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334390","22.5337","0.0007","22.5337","0.0007","30.53","0.0011","90","","90","","120","","13425.3","0.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C156 H242 F18 Fe6 N26 O32 S6 -","- C155.999 H233.999 F18 Fe6 N25.9998 O32.0002 S6 -","- C467.998 H701.998 F54 Fe18 N77.9994 O96.0006 S18 -","3","0.166667","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.0647","0.0505","","","0.1289","0.1407","","","","","","1.03","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334391","11.2093","0.0005","16.1984","0.0008","18.591","0.0008","90","","94.029","0.002","90","","3367.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 F6 Fe N6 O6 S2 -","- C28 H38 F6 Fe N6 O6 S2 -","- C112 H152 F24 Fe4 N24 O24 S8 -","4","1","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.051","0.0352","","","0.0776","0.0843","","","","","","1.015","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334392","11.2821","0.0008","16.2136","0.0012","18.7072","0.0014","90","","93.919","0.004","90","","3414","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 F6 Fe N6 O6 S2 -","- C28 H38 F6 Fe N6 O6 S2 -","- C112 H152 F24 Fe4 N24 O24 S8 -","4","1","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.0552","0.0392","","","0.0945","0.1056","","","","","","1.018","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334393","11.3547","0.0003","16.2822","0.0004","18.7971","0.0004","90","","93.603","0.001","90","","3468.33","0.15","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 F6 Fe N6 O6 S2 -","- C28 H38 F6 Fe N6 O6 S2 -","- C112 H152 F24 Fe4 N24 O24 S8 -","4","1","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.0696","0.0462","","","0.1116","0.1275","","","","","","1.027","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4334394","11.1598","0.0006","16.22","0.0009","18.7779","0.0011","90","","94.614","0.002","90","","3388","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Co F6 N6 O6 S2 -","- C28 H38 Co F6 N6 O6 S2 -","- C112 H152 Co4 F24 N24 O24 S8 -","4","1","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.0383","0.0288","","","0.0717","0.0772","","","","","","1.042","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334395","11.3539","0.0017","16.38","0.002","19.046","0.003","90","","94.005","0.006","90","","3533.5","0.9","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Co F6 N6 O6 S2 -","- C28 H38 Co F6 N6 O6 S2 -","- C112 H152 Co4 F24 N24 O24 S8 -","4","1","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.085","0.0482","","","0.1194","0.1385","","","","","","1.012","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4334396","11.1837","0.001","16.2687","0.0013","18.7857","0.0017","90","","94.673","0.005","90","","3406.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 F6 N6 Ni O6 S2 -","- C28 H38 F6 N6 Ni O6 S2 -","- C112 H152 F24 N24 Ni4 O24 S8 -","4","1","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.0487","0.0387","","","0.1037","0.111","","","","","","1.029","","","","has coordinates","179446","2020-10-21","18:00:00",""
"4334397","11.24","0.002","16.35","0.003","19.109","0.004","90","","94.839","0.009","90","","3499.2","1.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cu F6 N6 O6 S2 -","- C28 H38 Cu F6 N6 O6 S2 -","- C112 H152 Cu4 F24 N24 O24 S8 -","4","1","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.0454","0.0324","","","0.0787","0.0859","","","","","","1.022","","","","has coordinates,has disorder","179446","2020-10-21","18:00:00",""
"4334398","17.135","0.002","13.453","0.0017","16.757","0.002","90","","114.982","0.006","90","","3501.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 F6 N6 O6 S2 Zn -","- C28 H38 F6 N6 O6 S2 Zn -","- C112 H152 F24 N24 O24 S8 Zn4 -","4","1","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.0626","0.0365","","","0.0785","0.0914","","","","","","1.014","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4334399","9.0716","0.0005","19.3915","0.0011","18.417","0.001","90","","98.274","0.003","90","","3206","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C118 H179 Cu4 F12 N21 O16 S4 -","- C118 H179 Cu4 F12 N21 O16 S4 -","- C118 H179 Cu4 F12 N21 O16 S4 -","1","0.25","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.0605","0.0444","","","0.1123","0.1271","","","","","","1.052","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4334400","23.6002","0.0009","22.2611","0.0008","19.2269","0.0011","90","","127.225","0.001","90","","8043.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H100 Cl8 N12 Ni3 O -","- C67 H98 Cl8 N12 Ni3 O1.002 -","- C268 H392 Cl32 N48 Ni12 O4.008 -","4","0.5","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.0987","0.0681","","","0.1842","0.2145","","","","","","1.06","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334401","9.774","0.0012","16.483","0.002","18.281","0.002","90","","101.203","0.007","90","","2889","0.6","153.15","","153.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 F6 Fe N4 O6 S2 -","- C24 H32 F6 Fe N4 O6 S2 -","- C96 H128 F24 Fe4 N16 O24 S8 -","4","0.5","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.1587","0.0788","","","0.1708","0.216","","","","","","1.083","","","","has coordinates,has disorder,has Fobs","179447","2020-10-21","18:00:00",""
"4334402","12.4854","0.0011","13.6599","0.0011","19.3818","0.0016","90","","107.903","0.004","90","","3145.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl2 Cu N6 O9 -","- C26 H40 Cl2 Cu N6 O9 -","- C104 H160 Cl8 Cu4 N24 O36 -","4","1","","Julia R. Khusnutdinova; Jia Luo; Nigam P. Rath; Liviu M. Mirica","Late First-Row Transition Metal Complexes of a Tetradentate Pyridinophane Ligand: Electronic Properties and Reactivity Implications","Inorganic Chemistry","2013","52","","3920","3932","10.1021/ic400260z","","","0.71073","MoKα","","0.0574","0.0407","","","0.0944","0.1067","","","","","","1.061","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334403","9.67","0.001","12.722","0.001","31.666","0.003","90","","91.04","0.01","90","","3895","0.6","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","9-Dimethylamino-4,4',8a,8a'-tetraaza-9-phospha-2,3,6,7,8,8a,9,9a- octahydro-1H-fluorene-tungstenpentacarbonyl","","- C15 H18 N5 O5 P W -","- C15 H18 N5 O5 P W -","- C120 H144 N40 O40 P8 W8 -","8","2","","Georgios Mourgas; Martin Nieger; Daniela Förster; Dietrich Gudat","Conformationally Constrained N-Heterocyclic Phosphine-Diimine with Dual Functionality","Inorganic Chemistry","2013","52","","4104","4112","10.1021/ic400261w","","","0.71073","MoKα","","0.0731","0.0689","","","0.183","0.1852","","","","","","1.024","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334404","10.7252","0.0003","9.7294","0.0003","16.8025","0.0005","90","","95.431","0.002","90","","1745.47","0.09","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Co N5 O P -","- C16 H23 Co N5 O P -","- C64 H92 Co4 N20 O4 P4 -","4","1","","Georgios Mourgas; Martin Nieger; Daniela Förster; Dietrich Gudat","Conformationally Constrained N-Heterocyclic Phosphine-Diimine with Dual Functionality","Inorganic Chemistry","2013","52","","4104","4112","10.1021/ic400261w","","","0.71073","MoKα","","0.0385","0.0338","","","0.0834","0.0857","","","","","","1.063","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334405","9.9973","0.0002","19.5332","0.0005","12.3096","0.0003","90","","93.339","0.002","90","","2399.73","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 As4 Cl16 N10 P2 -","- C22 H40 As4 Cl16 N10 P2 -","- C44 H80 As8 Cl32 N20 P4 -","2","0.5","","Georgios Mourgas; Martin Nieger; Daniela Förster; Dietrich Gudat","Conformationally Constrained N-Heterocyclic Phosphine-Diimine with Dual Functionality","Inorganic Chemistry","2013","52","","4104","4112","10.1021/ic400261w","","","0.71073","MoKα","","0.0862","0.0486","","","0.0912","0.1033","","","","","","1.134","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334406","23.3068","0.0014","9.4569","0.0006","15.772","0.001","90","","105.64","0.002","90","","3347.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Cl3 N5 P Sb -","- C10 H18 Cl3 N5 P Sb -","- C80 H144 Cl24 N40 P8 Sb8 -","8","1","","Georgios Mourgas; Martin Nieger; Daniela Förster; Dietrich Gudat","Conformationally Constrained N-Heterocyclic Phosphine-Diimine with Dual Functionality","Inorganic Chemistry","2013","52","","4104","4112","10.1021/ic400261w","","","0.71073","MoKα","","0.04","0.0259","","","0.0504","0.0538","","","","","","1.025","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334407","8.4435","0.0008","13.5932","0.0013","9.3961","0.0009","90","","103.89","0.001","90","","1046.89","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H30 Br4 P2 Pt -","- C12 H30 Br4 P2 Pt -","- C24 H60 Br8 P4 Pt2 -","2","0.5","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0202","0.0167","","","0.0402","0.0416","","","","","","1.027","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334408","13.4672","0.0015","14.7999","0.0016","25.154","0.003","90","","90","","90","","5013.5","1","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H39 Br O2 P2 Pt -","- C20 H39 Br O2 P2 Pt -","- C160 H312 Br8 O16 P16 Pt8 -","8","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0249","0.0209","","","0.0527","0.0544","","","","","","1.099","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334409","11.585","0.003","15.156","0.004","30.722","0.009","90","","90","","90","","5394","3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H37 Br3 O2 P2 Pt -","- C20 H37 Br3 O2 P2 Pt -","- C160 H296 Br24 O16 P16 Pt8 -","8","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0909","0.0664","","","0.1379","0.1537","","","","","","1.053","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334410","14.9275","0.0017","10.776","0.0012","18.08","0.002","90","","101.65","0.001","90","","2848.4","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 Br5 O2 P2 Pt -","- C20 H37 Br5 O2 P2 Pt -","- C80 H148 Br20 O8 P8 Pt4 -","4","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0197","0.0171","","","0.0382","0.0389","","","","","","1.069","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334411","11.23","0.003","12.833","0.003","16.167","0.004","90","","90","","90","","2329.9","1","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H36 Br N P2 Pt -","- C18 H36 Br N P2 Pt -","- C72 H144 Br4 N4 P8 Pt4 -","4","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0284","0.0276","","","0.0658","0.0663","","","","","","1.059","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334412","14.633","0.003","12.792","0.003","14.227","0.003","90","","94.223","0.002","90","","2655.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Br5 N P2 Pt -","- C18 H34 Br5 N P2 Pt -","- C72 H136 Br20 N4 P8 Pt4 -","4","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0371","0.0302","","","0.0634","0.0656","","","","","","1.058","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334413","14.329","0.002","13.027","0.002","13.136","0.002","90","","90","","90","","2452","0.6","173","2","173","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C19 H34 Br F3 P2 Pt -","- C19 H34 Br F3 P2 Pt -","- C76 H136 Br4 F12 P8 Pt4 -","4","0.5","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0262","0.025","","","0.0673","0.0679","","","","","","1.212","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334414","17.627","0.002","28.245","0.003","13.7147","0.0015","90","","91.4757","0.0014","90","","6825.9","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Br3 P2 Pt -","- C26.0005 H39 Br3 P2 Pt -","- C208.004 H312 Br24 P16 Pt8 -","8","2","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0527","0.0343","","","0.0788","0.083","","","","","","0.979","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334415","11.7701","0.001","16.9197","0.0014","14.0443","0.0011","90","","91.045","0.002","90","","2796.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 Br2 P2 Pt -","- C26 H38 Br2 P2 Pt -","- C104 H152 Br8 P8 Pt4 -","4","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.1176","0.0576","","","0.0966","0.1118","","","","","","1.007","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334416","18.5761","0.0017","12.9695","0.0012","10.532","0.001","90","","90","","90","","2537.4","0.4","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H37 Br P2 Pt -","- C22 H37 Br P2 Pt -","- C88 H148 Br4 P8 Pt4 -","4","0.5","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0712","0.0514","","","0.118","0.1296","","","","","","1.115","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334417","12.174","0.0005","14.8058","0.0006","15.9468","0.0006","90","","103.118","0.001","90","","2799.34","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Br4 P2 Pt -","- C22 H36 Br4 P2 Pt -","- C88 H144 Br16 P8 Pt4 -","4","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0438","0.0306","","","0.071","0.076","","","","","","1.037","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334418","16.928","0.002","10.0957","0.0013","19.349","0.002","90","","105.31","0.001","90","","3189.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Br2 P2 Pt -","- C32 H40 Br2 P2 Pt -","- C128 H160 Br8 P8 Pt4 -","4","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0556","0.0427","","","0.1068","0.1147","","","","","","1.038","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334419","10.113","0.002","27.024","0.006","11.881","0.003","90","","90","","90","","3247","1.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H40 Br4 P2 Pt -","- C32 H40 Br4 P2 Pt -","- C128 H160 Br16 P8 Pt4 -","4","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0266","0.0243","","","0.0559","0.0566","","","","","","1.037","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334420","13.875","0.003","19.665","0.004","15.956","0.003","90","","90.135","0.002","90","","4353.6","1.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H60 Br N O2 P2 Pt -","- C48 H60 Br N O2 P2 Pt -","- C192 H240 Br4 N4 O8 P8 Pt4 -","4","1","","Alice Raphael Karikachery; Han Baek Lee; Mehdi Masjedi; Andreas Ross; Morgan A. Moody; Xiaochen Cai; Megan Chui; Carl D. Hoff; Paul R. Sharp","High Quantum Yield Molecular Bromine Photoelimination from Mononuclear Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","4113","4119","10.1021/ic4004998","","","0.71073","MoKα","","0.0628","0.0403","","","0.0901","0.0994","","","","","","1.03","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334421","5.5813","0.0003","9.5476","0.0005","35.1578","0.0002","90","","90","","90","","1873.49","0.14","293","2","293","2","","","","","","","","3","F m m m","-F 2 2","69","","","","- B6 Eu5 Pt18 -","- B5 Eu5 Pt18 -","- B20 Eu20 Pt72 -","4","0.125","","Leonid Salamakha; Ernst Bauer; Gerfried Hilscher; Herwig Michor; Oksana Sologub; Peter Rogl; Gerald Giester","Structural and Physical Properties Diversity of New CaCu5-Type Related Europium Platinum Borides","Inorganic Chemistry","2013","52","","4185","4197","10.1021/ic301548w","","","0.71073","MoKα","","0.0498","0.0331","","","0.0772","0.0832","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334422","5.6167","0.0002","5.6167","0.0002","7.4399","0.0003","90","","90","","120","","203.264","0.013","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- B Eu Pt4 -","- B Eu Pt4 -","- B2 Eu2 Pt8 -","2","0.0833333","","Leonid Salamakha; Ernst Bauer; Gerfried Hilscher; Herwig Michor; Oksana Sologub; Peter Rogl; Gerald Giester","Structural and Physical Properties Diversity of New CaCu5-Type Related Europium Platinum Borides","Inorganic Chemistry","2013","52","","4185","4197","10.1021/ic301548w","","","0.71073","MoKα","","0.0308","0.0259","","","0.0564","0.0589","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334423","5.5477","0.0002","5.5477","0.0002","22.8963","0.0011","90","","90","","120","","610.27","0.04","293","2","293","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- B2 Eu3 Pt7 -","- B2 Eu3 Pt7 -","- B6 Eu9 Pt21 -","3","0.0833333","","Leonid Salamakha; Ernst Bauer; Gerfried Hilscher; Herwig Michor; Oksana Sologub; Peter Rogl; Gerald Giester","Structural and Physical Properties Diversity of New CaCu5-Type Related Europium Platinum Borides","Inorganic Chemistry","2013","52","","4185","4197","10.1021/ic301548w","","","0.71073","MoKα","","0.0296","0.0271","","","0.0685","0.0698","","","","","","1.131","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334424","25.843","0.003","8.6601","0.0004","17.4254","0.0011","90","","102.435","0.009","90","","3808.4","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H31 N5 O13 Zn2 -","- C41 H31 N5 O13 Zn2 -","- C164 H124 N20 O52 Zn8 -","4","0.5","","Sujuan Wang; Qiuli Yang; Jianyong Zhang; Xuepeng Zhang; Cunyuan Zhao; Long Jiang; Cheng-Yong Su","Two-Dimensional Charge-Separated Metal-Organic Framework for Hysteretic and Modulated Sorption","Inorganic Chemistry","2013","52","","4198","4204","10.1021/ic301781n","","","1.54178","CuKα","","0.0911","0.0824","","","0.2188","0.2298","","","","","","1.031","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334425","12.3248","0.0006","17.1869","0.0006","19.2754","0.0007","90","","90","","90","","4083","0.3","173","2","173","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C34 H40 Cu F6 N4 O8 S2 -","- C34 H40 Cu F6 N4 O8 S2 -","- C136 H160 Cu4 F24 N16 O32 S8 -","4","0.5","","Katsuo Fukuhara; Shin-ichiro Noro; Kunihisa Sugimoto; Tomoyuki Akutagawa; Kazuya Kubo; Takayoshi Nakamura","Porous Coordination Polymer Polymorphs with Different Flexible Pores Using a Structurally Flexible and Bent 1,3-Bis(4-pyridyl)propane Ligand","Inorganic Chemistry","2013","52","","4229","4237","10.1021/ic301949n","","","0.71075","MoKα","","0.0466","0.0452","","","0.1255","0.1278","","","","","","1.05","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334426","13.3195","0.0008","23.2763","0.0014","13.8909","0.001","90","","102.493","0.002","90","","4204.6","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H43 Cu F6 N5 O7 S2 -","- C38 H43 Cu F6 N5 O7 S2 -","- C152 H172 Cu4 F24 N20 O28 S8 -","4","1","","Katsuo Fukuhara; Shin-ichiro Noro; Kunihisa Sugimoto; Tomoyuki Akutagawa; Kazuya Kubo; Takayoshi Nakamura","Porous Coordination Polymer Polymorphs with Different Flexible Pores Using a Structurally Flexible and Bent 1,3-Bis(4-pyridyl)propane Ligand","Inorganic Chemistry","2013","52","","4229","4237","10.1021/ic301949n","","","0.71075","MoKα","","0.1247","0.0822","","","0.2205","0.2466","","","","","","1.062","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334427","9.0545","0.0005","17.7259","0.0007","10.9172","0.0005","90","","96.954","0.0016","90","","1739.31","0.14","173","","173","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H30 Cu F6 N4 O7 S2 -","- C28 H28 Cu F6 N4 O7 S2 -","- C56 H56 Cu2 F12 N8 O14 S4 -","2","1","","Katsuo Fukuhara; Shin-ichiro Noro; Kunihisa Sugimoto; Tomoyuki Akutagawa; Kazuya Kubo; Takayoshi Nakamura","Porous Coordination Polymer Polymorphs with Different Flexible Pores Using a Structurally Flexible and Bent 1,3-Bis(4-pyridyl)propane Ligand","Inorganic Chemistry","2013","52","","4229","4237","10.1021/ic301949n","","","0.71075","MoKα","","","0.0293","","","","0.0817","","","","","","1.047","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334428","12.1025","0.0004","5.26761","0.0001","3.71319","0.0001","90","","90","","90","","236.721","0.011","923","","923","","","","","","","","","4","P n a 21","P 2c -2n","33","Calcium borosilicate","","","- B0.66 Ca O2.66 Si0.33 -","- B0.66 Ca O2.634 Si0.34 -","- B2.64 Ca4 O10.536 Si1.36 -","4","1","","Emmanuel Véron; Mounesha N. Garaga; Denis Pelloquin; Sylvian Cadars; Matthew Suchomel; Emmanuelle Suard; Dominique Massiot; Valérie Montouillout; Guy Matzen; Mathieu Allix","Synthesis and Structure Determination of CaSi1/3B2/3O8/3: A New Calcium Borosilicate","Inorganic Chemistry","2013","52","","4250","4258","10.1021/ic302114t","powder diffraction","neutron","1.59516","neutron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334429","18.3609","0.0008","18.232","0.0009","14.1621","0.0007","90","","96.973","0.004","90","","4705.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","Zinc nitroterephthalate","Zinc nitroterephthalate","","- C12 H24 N6 O12 Zn2 -","- C10 N O8 Zn1.75 -","- C80 N8 O64 Zn14 -","8","1","","Simon S. Iremonger; Ramanathan Vaidhyanathan; Roger K. Mah; George K. H. Shimizu","Zn7O2(RCOO)10 Clusters and Nitro Aromatic Linkers in a Porous Metal-Organic Framework","Inorganic Chemistry","2013","52","","4124","4126","10.1021/ic302127y","","","1.54178","MoKα","","0.0763","0.0558","","","0.15","0.16","","","","","","1.062","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334430","7.6413","0.0007","7.566","0.0007","18.1056","0.0016","90","","90","","90","","1046.76","0.16","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H8 Mn N4 O5 -","- C8 H8 Mn N4 O5 -","- C32 H32 Mn4 N16 O20 -","4","0.5","","Yan-Qin Wang; Qi Yue; Yan Qi; Kun Wang; Qian Sun; En-Qing Gao","Manganese(II), Iron(II), and Mixed-Metal Metal-Organic Frameworks Based on Chains with Mixed Carboxylate and Azide Bridges: Magnetic Coupling and Slow Relaxation","Inorganic Chemistry","2013","52","","4259","4268","10.1021/ic302162c","","","0.71073","MoKα","","0.1075","0.0683","","","0.198","0.2167","","","","","","1.003","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334431","17.744","0.003","9.3401","0.0015","25.063","0.004","90","","90","","90","","4153.7","1.2","150","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H34 F24 N8 P4 -","- C1.76271 H2.30508 F1.62712 N0.542373 P0.271186 -","- C104 H136 F96 N32 P16 -","59","7.375","","B. Nisar Ahamed; Ranjan Dutta; Pradyut Ghosh","Role of Wingtip Substituents on Benzene-Platform-Based Tetrapodal Ligands toward the Formation of a Self-Assembled Silver Carbene Cage","Inorganic Chemistry","2013","52","","4269","4276","10.1021/ic302184h","","","0.71073","MoKα","","0.1479","0.0814","","","0.2323","0.2987","","","","","","1.005","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334432","7.3835","0.0011","30.819","0.005","12.4726","0.0018","90","","91.07","0.004","90","","2837.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H50 F24 N8 P4 -","- C50 H50 F24 N8 P4 -","- C100 H100 F48 N16 P8 -","2","0.5","","B. Nisar Ahamed; Ranjan Dutta; Pradyut Ghosh","Role of Wingtip Substituents on Benzene-Platform-Based Tetrapodal Ligands toward the Formation of a Self-Assembled Silver Carbene Cage","Inorganic Chemistry","2013","52","","4269","4276","10.1021/ic302184h","","","0.71073","MoKα","","0.1118","0.0819","","","0.2356","0.2628","","","","","","1.047","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334433","10.2619","0.0006","9.1305","0.0006","23.0678","0.0014","90","","91.592","0.002","90","","2160.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 F24 N8 P4 -","- C30 H42 F24 N8 P4 -","- C60 H84 F48 N16 P8 -","2","0.5","","B. Nisar Ahamed; Ranjan Dutta; Pradyut Ghosh","Role of Wingtip Substituents on Benzene-Platform-Based Tetrapodal Ligands toward the Formation of a Self-Assembled Silver Carbene Cage","Inorganic Chemistry","2013","52","","4269","4276","10.1021/ic302184h","","","0.71073","MoKα","","0.0755","0.0502","","","0.1181","0.1303","","","","","","1.049","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334434","8.9599","0.0005","12.4841","0.0007","14.9233","0.0008","90","","91.4","0.002","90","","1668.77","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Ag F6 N4 P -","- C13 H13 Ag F6 N4 P -","- C52 H52 Ag4 F24 N16 P4 -","4","1","","B. Nisar Ahamed; Ranjan Dutta; Pradyut Ghosh","Role of Wingtip Substituents on Benzene-Platform-Based Tetrapodal Ligands toward the Formation of a Self-Assembled Silver Carbene Cage","Inorganic Chemistry","2013","52","","4269","4276","10.1021/ic302184h","","","0.71073","MoKα","","0.0876","0.0587","","","0.181","0.2118","","","","","","0.951","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334435","11.722","0.004","22.308","0.007","21.567","0.007","90","","97.334","0.009","90","","5594","3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 Ag2 F12 N8 O P2 -","- C54 H46 Ag2 F12 N8 O P2 -","- C216 H184 Ag8 F48 N32 O4 P8 -","4","1","","B. Nisar Ahamed; Ranjan Dutta; Pradyut Ghosh","Role of Wingtip Substituents on Benzene-Platform-Based Tetrapodal Ligands toward the Formation of a Self-Assembled Silver Carbene Cage","Inorganic Chemistry","2013","52","","4269","4276","10.1021/ic302184h","","","0.71073","MoKα","","0.0753","0.0485","","","0.1092","0.1236","","","","","","1.052","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334436","18.3487","0.0018","18.3487","0.0018","13.031","0.0014","90","","90","","90","","4387.2","0.8","150","2","150","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C60 H76 Ag4 F24 N16 P4 -","- C60 H76 Ag4 F24 N16 P4 -","- C120 H152 Ag8 F48 N32 P8 -","2","0.125","","B. Nisar Ahamed; Ranjan Dutta; Pradyut Ghosh","Role of Wingtip Substituents on Benzene-Platform-Based Tetrapodal Ligands toward the Formation of a Self-Assembled Silver Carbene Cage","Inorganic Chemistry","2013","52","","4269","4276","10.1021/ic302184h","","","0.71073","MoKα","","0.0358","0.0334","","","0.1194","0.1221","","","","","","1.098","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334437","7.4789","0.0005","13.5521","0.001","5.4927","0.0004","90","","109.097","0.001","90","","526.07","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Plutonium tellurite sulfate","","","- O7 Pu S Te -","- O7 Pu S Te -","- O28 Pu4 S4 Te4 -","4","1","","Jian Lin; Justin N. Cross; Juan Diwu; Nathan A. Meredith; Thomas E. Albrecht-Schmitt","Comparisons of Plutonium, Thorium, and Cerium Tellurite Sulfates","Inorganic Chemistry","2013","52","","4277","4281","10.1021/ic302216y","","","0.71073","MoKα","","0.0221","0.0207","","","0.046","0.0468","","","","","","1.147","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334438","9.597","0.003","6.9391","0.0018","8.248","0.002","90","","106.452","0.003","90","","526.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cerium tellurite sulfate","","","- Ce O6.5 S Te -","- Ce O6.5 S Te -","- Ce4 O26 S4 Te4 -","4","1","","Jian Lin; Justin N. Cross; Juan Diwu; Nathan A. Meredith; Thomas E. Albrecht-Schmitt","Comparisons of Plutonium, Thorium, and Cerium Tellurite Sulfates","Inorganic Chemistry","2013","52","","4277","4281","10.1021/ic302216y","","","0.71073","MoKα","","0.0515","0.0404","","","0.1089","0.1138","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334439","7.5329","0.0008","13.829","0.0015","5.6448","0.0006","90","","109.587","0.001","90","","554.01","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","thorium tellurite sulfate","","","- O7 S Te Th -","- O7 S Te Th -","- O28 S4 Te4 Th4 -","4","1","","Jian Lin; Justin N. Cross; Juan Diwu; Nathan A. Meredith; Thomas E. Albrecht-Schmitt","Comparisons of Plutonium, Thorium, and Cerium Tellurite Sulfates","Inorganic Chemistry","2013","52","","4277","4281","10.1021/ic302216y","","","0.71073","MoKα","","0.0203","0.0187","","","0.0465","0.0475","","","","","","1.131","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334440","10.5803","0.0002","29.3713","0.0003","12.386","0.0001","90","","93.596","0.001","90","","3841.46","0.09","150","2","150","2","","","","","","","synthesis","8","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 N13 Na O4 P Ru S -","- C35 H35 N13 Na O4 P Ru S -","- C140 H140 N52 Na4 O16 P4 Ru4 S4 -","4","1","","Sara Miguel-Fernández; Sara Martínez de Salinas; Josefina Díez; M. Pilar Gamasa; Elena Lastra","1,3-Dipolar Cycloadditions of Ruthenium(II) Azido Complexes with Alkynes and Nitriles","Inorganic Chemistry","2013","52","","4293","4302","10.1021/ic302264t","","","1.54184","CuKα","","0.0416","0.0333","","","0.081","0.0858","","","","","","1.02","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334441","13.3422","0.0003","14.4554","0.0003","14.7576","0.0003","97.852","0.002","94.281","0.002","98.419","0.002","2776.14","0.1","293","2","293","2","","","","","","","synthesis","8","P -1","-P 1","2","","","","- C50 H56 N12 Na O13 P Ru S -","- C50 H56 N12 Na O13 P Ru S -","- C100 H112 N24 Na2 O26 P2 Ru2 S2 -","2","1","","Sara Miguel-Fernández; Sara Martínez de Salinas; Josefina Díez; M. Pilar Gamasa; Elena Lastra","1,3-Dipolar Cycloadditions of Ruthenium(II) Azido Complexes with Alkynes and Nitriles","Inorganic Chemistry","2013","52","","4293","4302","10.1021/ic302264t","","","1.5418","CuKα","","0.0455","0.0422","","","0.1173","0.1209","","","","","","1.059","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334442","8.335","0.005","12.319","0.005","16.685","0.005","84.777","0.005","87.554","0.005","85.771","0.005","1700.3","1.3","150","2","150","2","","","","","","","synthesis","8","P -1","-P 1","2","","","","- C31 H29 Cl2 N10 O3 P Ru S -","- C31 H29 Cl2 N10 O3 P Ru S -","- C62 H58 Cl4 N20 O6 P2 Ru2 S2 -","2","1","","Sara Miguel-Fernández; Sara Martínez de Salinas; Josefina Díez; M. Pilar Gamasa; Elena Lastra","1,3-Dipolar Cycloadditions of Ruthenium(II) Azido Complexes with Alkynes and Nitriles","Inorganic Chemistry","2013","52","","4293","4302","10.1021/ic302264t","","","1.5418","CuKα","","0.0553","0.046","","","0.1181","0.1247","","","","","","1.049","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334443","6.901","0.009","13.19","0.02","6.908","0.01","90","","91.836","0.017","90","","628.5","1.6","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- As F12 Li Xe3 -","- As F12 Li Xe3 -","- As2 F24 Li2 Xe6 -","2","1","","Gašper Tavčar; Boris Žemva","[Li(XeF2)n](AF6) (A = P, As, Ru, Ir), the First Xenon(II) Compounds of Lithium. Synthesis, Raman Spectrum, and Crystal Structure of [Li(XeF2)3](AsF6)","Inorganic Chemistry","2013","52","","4319","4323","10.1021/ic302323j","","","0.71069","MoKα","","0.0531","0.0459","","","0.1209","0.1324","","","","","","1.06","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334444","17.1836","0.0009","17.1836","0.0009","83.273","0.006","90","","90","","120","","21294","2","213","","213","","","","","","","","","8","R -3 :H","-R 3","148","","","","- C126 H194 Cd Cl2 N6 O9 Pt3 S6 -","- C126 H192 Cd Cl1.999 N6 O8.9989 Pt3 S6 -","- C756 H1152 Cd6 Cl11.994 N36 O53.9934 Pt18 S36 -","6","0.333333","","Hirotaka Honda; Takeshi Matsumoto; Misaki Sakamoto; Atsushi Kobayashi; Ho-Chol Chang; Masako Kato","Integration of Alkyl-Substituted Bipyridyl Benzenedithiolato Platinum(II) Complexes with Cadmium(II) Ion via Selective Dative Bond Formation","Inorganic Chemistry","2013","52","","4324","4334","10.1021/ic302352k","","","0.71075","MoKα","","","0.0861","","","","0.2754","","","","","","1.041","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334445","12.7905","0.0015","14.9908","0.0019","15.3746","0.0018","104.643","0.0016","91.693","0.0013","107.757","0.0013","2698","0.6","223","","223","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H58 Cd Cl2 N4 O9 Pt2 S4 -","- C48 H56 Cd Cl2 N4 O9 Pt2 S4 -","- C96 H112 Cd2 Cl4 N8 O18 Pt4 S8 -","2","1","","Hirotaka Honda; Takeshi Matsumoto; Misaki Sakamoto; Atsushi Kobayashi; Ho-Chol Chang; Masako Kato","Integration of Alkyl-Substituted Bipyridyl Benzenedithiolato Platinum(II) Complexes with Cadmium(II) Ion via Selective Dative Bond Formation","Inorganic Chemistry","2013","52","","4324","4334","10.1021/ic302352k","","","0.71075","MoKα","","","0.0516","","","","0.1528","","","","","","1.094","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334446","13.292","0.011","13.351","0.013","14.855","0.014","72.08","0.02","68.04","0.02","60.72","0.02","2107","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H38 Cl F6 N8 O11 P Ru2 -","- C36 H38 Cl F6 N8 O11 P Ru2 -","- C72 H76 Cl2 F12 N16 O22 P2 Ru4 -","2","1","","Carlo Di Giovanni; Lydia Vaquer; Xavier Sala; Jordi Benet-Buchholz; Antoni Llobet","New Dinuclear Ruthenium Complexes: Structure and Oxidative Catalysis","Inorganic Chemistry","2013","52","","4335","4345","10.1021/ic302481s","","","0.71073","MoKα","","0.0936","0.0471","","","0.0989","0.1159","","","","","","0.978","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334447","16.0198","0.0019","34.255","0.005","30.625","0.004","90","","97.256","0.004","90","","16671","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C144 H100 F24 N32 O20 P4 Ru8 -","- C144 H100 F24 N32 O20 P4 Ru8 -","- C576 H400 F96 N128 O80 P16 Ru32 -","4","1","","Carlo Di Giovanni; Lydia Vaquer; Xavier Sala; Jordi Benet-Buchholz; Antoni Llobet","New Dinuclear Ruthenium Complexes: Structure and Oxidative Catalysis","Inorganic Chemistry","2013","52","","4335","4345","10.1021/ic302481s","","","0.71073","MoKα","","0.1553","0.0788","","","0.1956","0.2199","","","","","","0.942","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334448","11.898","0.004","16.866","0.006","18.703","0.007","90","","99.789","0.008","90","","3699","2","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H54 N P3 -","- C41 H54 N P3 -","- C164 H216 N4 P12 -","4","1","","Matthew J. Ray; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Alexandra M. Z. Slawin; Michael Bühl; Tomas Lebl; Petr Kilian","Synthetic, Structural, NMR, and Computational Study of a Geminally Bis(peri-substituted) Tridentate Phosphine and Its Chalcogenides and Transition-Metal Complexes","Inorganic Chemistry","2013","52","","4346","4359","10.1021/ic3024875","","","0.71075","MoKα","","","0.0753","","","","0.2538","","","","","","0.836","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334449","11.332","0.004","12.573","0.003","13.868","0.003","67.972","0.019","79.63","0.03","80.5","0.02","1791.4","0.9","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H51 P3 S2 -","- C39 H51 P3 S2 -","- C78 H102 P6 S4 -","2","1","","Matthew J. Ray; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Alexandra M. Z. Slawin; Michael Bühl; Tomas Lebl; Petr Kilian","Synthetic, Structural, NMR, and Computational Study of a Geminally Bis(peri-substituted) Tridentate Phosphine and Its Chalcogenides and Transition-Metal Complexes","Inorganic Chemistry","2013","52","","4346","4359","10.1021/ic3024875","","","0.71075","MoKα","","","0.0929","","","","0.2991","","","","","","1.225","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334450","16.969","0.005","13.057","0.003","20.051","0.006","90","","111.872","0.006","90","","4123","2","125","","125","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H57 O P3 S3 -","- C42 H57 O P3 S3 -","- C168 H228 O4 P12 S12 -","4","1","","Matthew J. Ray; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Alexandra M. Z. Slawin; Michael Bühl; Tomas Lebl; Petr Kilian","Synthetic, Structural, NMR, and Computational Study of a Geminally Bis(peri-substituted) Tridentate Phosphine and Its Chalcogenides and Transition-Metal Complexes","Inorganic Chemistry","2013","52","","4346","4359","10.1021/ic3024875","","","0.71075","MoKα","","","0.1313","","","","0.3311","","","","","","1.281","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334451","12.3969","0.0013","21.308","0.003","13.8355","0.0014","90","","92.761","0.003","90","","3650.4","0.7","125","","125","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H51 P3 Se2 -","- C39 H51 P3 Se2 -","- C156 H204 P12 Se8 -","4","1","","Matthew J. Ray; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Alexandra M. Z. Slawin; Michael Bühl; Tomas Lebl; Petr Kilian","Synthetic, Structural, NMR, and Computational Study of a Geminally Bis(peri-substituted) Tridentate Phosphine and Its Chalcogenides and Transition-Metal Complexes","Inorganic Chemistry","2013","52","","4346","4359","10.1021/ic3024875","","","0.71075","MoKα","","","0.0451","","","","0.1469","","","","","","1.081","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334452","29.995","0.014","12.361","0.006","22.309","0.011","90","","92.409","0.007","90","","8264","7","93","","93","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H58 B Cu F4 N O0.5 P3 -","- C43 H58 B Cu F4 N O0.5 P3 -","- C344 H464 B8 Cu8 F32 N8 O4 P24 -","8","1","","Matthew J. Ray; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Alexandra M. Z. Slawin; Michael Bühl; Tomas Lebl; Petr Kilian","Synthetic, Structural, NMR, and Computational Study of a Geminally Bis(peri-substituted) Tridentate Phosphine and Its Chalcogenides and Transition-Metal Complexes","Inorganic Chemistry","2013","52","","4346","4359","10.1021/ic3024875","","","0.71075","MoKα","","","0.1825","","","","0.4874","","","","","","1.84","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334453","11.2875","0.0018","12.5211","0.0019","16.974","0.003","65.323","0.007","72.968","0.009","75.14","0.009","2059.3","0.6","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H53 Cl4 P3 Pt -","- C40 H53 Cl4 P3 Pt -","- C80 H106 Cl8 P6 Pt2 -","2","1","","Matthew J. Ray; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Alexandra M. Z. Slawin; Michael Bühl; Tomas Lebl; Petr Kilian","Synthetic, Structural, NMR, and Computational Study of a Geminally Bis(peri-substituted) Tridentate Phosphine and Its Chalcogenides and Transition-Metal Complexes","Inorganic Chemistry","2013","52","","4346","4359","10.1021/ic3024875","","","0.71075","MoKα","","","0.0432","","","","0.1099","","","","","","1.044","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334454","10.443","0.0006","11.4725","0.0007","19.3532","0.0014","93.871","0.007","101.123","0.007","112.837","0.008","2070.6","0.3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H59 Cl2 Fe O P3 -","- C43 H59 Cl2 Fe O P3 -","- C86 H118 Cl4 Fe2 O2 P6 -","2","1","","Matthew J. Ray; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Alexandra M. Z. Slawin; Michael Bühl; Tomas Lebl; Petr Kilian","Synthetic, Structural, NMR, and Computational Study of a Geminally Bis(peri-substituted) Tridentate Phosphine and Its Chalcogenides and Transition-Metal Complexes","Inorganic Chemistry","2013","52","","4346","4359","10.1021/ic3024875","","","0.71075","MoKα","","","0.0614","","","","0.1611","","","","","","1.14","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334455","10.962","0.004","11.985","0.004","15.257","0.005","96.39","0.006","90.902","0.005","100.702","0.005","1956","1.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H54 Mo N O3 P3 -","- C44 H54 Mo N O3 P3 -","- C88 H108 Mo2 N2 O6 P6 -","2","1","","Matthew J. Ray; Rebecca A. M. Randall; Kasun S. Athukorala Arachchige; Alexandra M. Z. Slawin; Michael Bühl; Tomas Lebl; Petr Kilian","Synthetic, Structural, NMR, and Computational Study of a Geminally Bis(peri-substituted) Tridentate Phosphine and Its Chalcogenides and Transition-Metal Complexes","Inorganic Chemistry","2013","52","","4346","4359","10.1021/ic3024875","","","0.71075","MoKα","","","0.0655","","","","0.147","","","","","","1.131","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334456","12.8116","0.0018","12.8116","0.0018","30.035","0.006","90","","90","","120","","4269.4","1.2","295","2","295","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C57 H66 N8 Ni2 O16 -","- C57 H60 N8 Ni2 O16 -","- C171 H180 N24 Ni6 O48 -","3","0.5","","Agnieszka Wojciechowska; Anna Gągor; Marek Duczmal; Zbigniew Staszak; Andrzej Ozarowski","l-Tyrosinatonickel(II) Complex: Synthesis and Structural, Spectroscopic, Magnetic, and Biological Properties of 2{[Ni(l-Tyr)2(bpy)]}.3H2O.CH3OH","Inorganic Chemistry","2013","52","","4360","4371","10.1021/ic3024919","","","0.71073","MoKα","","0.09","0.0476","","","0.079","0.0924","","","","","","1.082","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334457","17.8914","0.0015","34.494","0.003","32.494","0.003","90","","104.938","0.004","90","","19376","3","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C139 H142 Cl9 Co15 N21 O61 P8 -","- C139 H137 Cl9 Co15 N21 O62 P8 -","- C556 H548 Cl36 Co60 N84 O248 P32 -","4","1","","Javeed Ahmad Sheikh; Soumyabrata Goswami; Amit Adhikary; Sanjit Konar","Serendipitous Assemblies of Two Large Phosphonate Cages: A Co15 Distorted Molecular Cube and a Co12 Butterfly Type Core Structure","Inorganic Chemistry","2013","52","","4127","4129","10.1021/ic3025183","","","0.71073","MoKα","","0.1216","0.0619","","","0.1663","0.1983","","","","","","1.035","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334458","16.7101","0.0017","32.185","0.003","29.64","0.003","90","","103.929","0.006","90","","15472","3","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104 H143 Cl2 Co12 N7 O58 P4 -","- C102.5 H107 Cl2 Co12 N6 O63 P4 -","- C410 H428 Cl8 Co48 N24 O252 P16 -","4","1","","Javeed Ahmad Sheikh; Soumyabrata Goswami; Amit Adhikary; Sanjit Konar","Serendipitous Assemblies of Two Large Phosphonate Cages: A Co15 Distorted Molecular Cube and a Co12 Butterfly Type Core Structure","Inorganic Chemistry","2013","52","","4127","4129","10.1021/ic3025183","","","0.71073","MoKα","","0.1201","0.0815","","","0.2236","0.2589","","","","","","1.097","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334459","17.3714","0.0009","13.3264","0.0007","19.5839","0.001","90","","108.141","0.001","90","","4308.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H118 N2 O12 P2 Pt6 -","- C86 H118 N2 O12 P2 Pt6 -","- C172 H236 N4 O24 P4 Pt12 -","2","0.5","","Iacopo Ciabatti; Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Tatiana Lovato; Stefano Zacchini","PPh3-Derivatives of [Pt3n(CO)6n]2- (n= 2-6) Chini's Clusters: Syntheses, Structures, and 31P NMR Studies","Inorganic Chemistry","2013","52","","4384","4395","10.1021/ic3025414","","","0.71073","MoKα","","0.0876","0.0436","","","0.0772","0.0908","","","","","","1.003","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334460","12.1277","0.0012","23.282","0.002","14.4729","0.0014","90","","91.321","0.001","90","","4085.4","0.7","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H102 N2 O10 P2 Pt6 -","- C78 H102 N2 O10 P2 Pt6 -","- C156 H204 N4 O20 P4 Pt12 -","2","0.5","","Iacopo Ciabatti; Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Tatiana Lovato; Stefano Zacchini","PPh3-Derivatives of [Pt3n(CO)6n]2- (n= 2-6) Chini's Clusters: Syntheses, Structures, and 31P NMR Studies","Inorganic Chemistry","2013","52","","4384","4395","10.1021/ic3025414","","","0.71073","MoKα","","0.1071","0.0406","","","0.063","0.082","","","","","","1.003","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334461","15.243","0.001","24.5212","0.0016","24.55","0.0016","90","","102.778","0.001","90","","8949","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H102 N2 O16 P2 Pt9 -","- C84 H102 N2 O16 P2 Pt9 -","- C336 H408 N8 O64 P8 Pt36 -","4","1","","Iacopo Ciabatti; Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Tatiana Lovato; Stefano Zacchini","PPh3-Derivatives of [Pt3n(CO)6n]2- (n= 2-6) Chini's Clusters: Syntheses, Structures, and 31P NMR Studies","Inorganic Chemistry","2013","52","","4384","4395","10.1021/ic3025414","","","0.71073","MoKα","","0.1039","0.0486","","","0.1029","0.1261","","","","","","1.009","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334462","15.5382","0.0013","20.7765","0.0017","27.887","0.003","90","","105.53","0.001","90","","8674.1","1.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H70 N2 O22 P2 Pt12 -","- C74 H70 N2 O22 P2 Pt12 -","- C296 H280 N8 O88 P8 Pt48 -","4","0.5","","Iacopo Ciabatti; Cristina Femoni; Maria Carmela Iapalucci; Giuliano Longoni; Tatiana Lovato; Stefano Zacchini","PPh3-Derivatives of [Pt3n(CO)6n]2- (n= 2-6) Chini's Clusters: Syntheses, Structures, and 31P NMR Studies","Inorganic Chemistry","2013","52","","4384","4395","10.1021/ic3025414","","","0.71073","MoKα","","0.1094","0.0444","","","0.0865","0.1074","","","","","","0.996","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334463","16.0514","0.0019","16.0514","0.0019","16.0514","0.0019","97.046","0.017","97.046","0.017","97.046","0.017","4033.4","0.9","100","2","100","2","","","","","","","","8","R 3 c :R","P 3* -2n","161","","(chlorido)-{κ^2^ C,N-3-isopropyl-1-(pyrid-2-ylmethyl)-2,3-dihydro- imidazole-2-ylidene}-{κ^3^ N,N',N''-tris(pirazolyl)borate}-ruthenium(II) 0.35 silver bromide","","- C21 H25 Ag0.35 B Br0.35 Cl N9 Ru -","- C21 H25 Ag0.349 B Br0.349 Cl N9 Ru -","- C126 H150 Ag2.094 B6 Br2.094 Cl6 N54 Ru6 -","6","1","","Francys E. Fernández; M. Carmen Puerta; Pedro Valerga","Picolyl-NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules","Inorganic Chemistry","2013","52","","4396","4410","10.1021/ic302553z","","x-ray","0.71073","MoKα","","0.0454","0.0431","","","0.1233","0.1303","","","","","","1.124","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334464","24.2071","0.0014","24.2071","0.0014","24.61","0.002","90","","90","","120","","12489","1.4","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","(chlorido)-{κ^2^ C,N-3-isopropyl-1-(pyrid-2-ylmethyl)-2,3-dihydro- imidazole-2-ylidene}-{κ^3^ N,N',N''-tris(pirazolyl)borate}-ruthenium(II) 0.79 dichloromethane solvate","","- C21.79 H26.58 B Cl2.58 N9 Ru -","- C21.793 H26.586 B Cl2.586 N9 Ru -","- C392.274 H478.548 B18 Cl46.548 N162 Ru18 -","18","1","","Francys E. Fernández; M. Carmen Puerta; Pedro Valerga","Picolyl-NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules","Inorganic Chemistry","2013","52","","4396","4410","10.1021/ic302553z","","x-ray","0.71073","MoKα","","0.0452","0.0422","","","0.1075","0.109","","","","","","0.992","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334465","13.0569","0.0015","12.0298","0.0014","35.729","0.004","90","","93.18","0.002","90","","5603.4","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Carbonyl-{κ^2^ <i>C</i>,<i>N</i>-3-methyl-1-(pyrid-2-ylmethyl)- 2,3-dihydro-imidazole-2-ylidene}-{κ^3^ <i>N</i>,<i>N</i>',<i>N</i>''- <i>tris</i>(pirazolyl)borate}- ruthenium(II) <i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate","","","- C52 H33 B2 F24 N9 O Ru -","- C52 H33 B2 F24 N9 O Ru -","- C208 H132 B8 F96 N36 O4 Ru4 -","4","1","","Francys E. Fernández; M. Carmen Puerta; Pedro Valerga","Picolyl-NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules","Inorganic Chemistry","2013","52","","4396","4410","10.1021/ic302553z","","x-ray","0.71073","MoKα","","0.0616","0.0535","","","0.1379","0.1495","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4334466","21.159","0.004","18.561","0.004","16.366","0.003","90","","103.05","0.03","90","","6261","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Carbonyl-{κ^2^ C,N-3-phenyl-1-(pyrid-2-ylmethyl)-2,3-dihydro- imidazole-2-ylidene}-{κ^3^ N,N',N''-tris(pirazolyl)borate}-ruthenium(II)] bis[tetrakis{3,5-bis(trifluoromethyl)phenyl}borate] 0.5 diethyleter solvate","","- C59 H40 B2 F24 N9 O1.5 Ru -","- C59 H40 B2 F24 N9 O1.5 Ru -","- C236 H160 B8 F96 N36 O6 Ru4 -","4","1","","Francys E. Fernández; M. Carmen Puerta; Pedro Valerga","Picolyl-NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules","Inorganic Chemistry","2013","52","","4396","4410","10.1021/ic302553z","","x-ray","0.71073","MoKα","","0.0775","0.0607","","","0.136","0.1453","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334467","13.062","0.003","29.388","0.006","14.96","0.003","90","","93.48","0.03","90","","5732","2","100","2","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","(μ-dinitrogen)-bis{κ^2^ C,N-3-methyl-1-(pyrid-2-ylmethyl)-2,3-dihydro- imidazole-2-ylidene}-<i>bis</i>{κ^3^ N,N',N''-<i>tris</i>(pirazolyl)borate}- diruthenium(II) <i>bis</i>{<i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate}","","- C102 H66 B4 F48 N20 Ru2 -","- C102 H66 B4 F48 N20 Ru2 -","- C204 H132 B8 F96 N40 Ru4 -","2","1","","Francys E. Fernández; M. Carmen Puerta; Pedro Valerga","Picolyl-NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules","Inorganic Chemistry","2013","52","","4396","4410","10.1021/ic302553z","","x-ray","0.71073","MoKα","","0.0657","0.0579","","","0.1502","0.1573","","","","","","1.042","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334468","13.514","0.003","14.435","0.003","17.643","0.004","110.91","0.03","91.51","0.03","100.67","0.03","3143.4","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(μ-dinitrogen)-<i>bis</i>{κ^2^C,N-3-phenyl-1-(pyrid-2-ylmethyl)-2,3-dihydro- imidazole-2-ylidene}-<i>bis</i>{κ^3^N,N',N''-<i>tris</i>(pirazolyl)borate}- diruthenium(II) <i>bis</i>{<i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate} <i>bis</i>(diethyl ether solvate)","","- C120 H90 B4 F48 N20 O2 Ru2 -","- C120 H90 B4 F48 N20 O2 Ru2 -","- C120 H90 B4 F48 N20 O2 Ru2 -","1","0.5","","Francys E. Fernández; M. Carmen Puerta; Pedro Valerga","Picolyl-NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules","Inorganic Chemistry","2013","52","","4396","4410","10.1021/ic302553z","","x-ray","0.71073","MoKα","","0.0672","0.0575","","","0.1468","0.1556","","","","","","1.056","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334469","12.5844","0.0018","12.5844","0.0018","31.621","0.006","90","","90","","120","","4336.8","1.2","100","2","100","2","","","","","","","","6","P 32","P 32","145","","(η^2^ ethylene)-{κ^2^ <i>C</i>,<i>N</i>-3-isopropyl-1-(pyrid-2-ylmethyl)- 2,3-dihydro-imidazole-2-ylidene}-{κ^3^ <i>N</i>,<i>N</i>',<i>N</i>''- <i>tris</i>(pirazolyl)borate}- ruthenium(II) <i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate","","- C55 H41 B2 F24 N9 Ru -","- C55 H41 B2 F24 N9 Ru -","- C165 H123 B6 F72 N27 Ru3 -","3","1","","Francys E. Fernández; M. Carmen Puerta; Pedro Valerga","Picolyl-NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules","Inorganic Chemistry","2013","52","","4396","4410","10.1021/ic302553z","","x-ray","0.71073","MoKα","","0.0383","0.0357","","","0.0885","0.0899","","","","","","1.026","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334470","13.125","0.003","29.488","0.006","15.163","0.003","90","","94.51","0.03","90","","5850","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(μ-disulfide)-<i>bis</i>[{κ^2^ <i>C</i>,<i>N</i>-3-isopropyl-1-(pyrid-2-ylmethyl)- 2,3-dihydro-imidazole-2-ylidene}-{κ^3^ <i>N</i>,<i>N</i>',<i>N</i>''-<i>tris</i>(pirazolyl)borate}- ruthenium(III)] <i>bis</i>[<i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate]","","- C51 H33 B2 F24 N9 Ru S -","- C51 H33 B2 F24 N9 Ru S -","- C204 H132 B8 F96 N36 Ru4 S4 -","4","1","","Francys E. Fernández; M. Carmen Puerta; Pedro Valerga","Picolyl-NHC Hydrotris(pyrazolyl)borate Ruthenium(II) Complexes: Synthesis, Characterization, and Reactivity with Small Molecules","Inorganic Chemistry","2013","52","","4396","4410","10.1021/ic302553z","","x-ray","0.71073","MoKα","","0.0676","0.0586","","","0.15","0.157","","","","","","1.041","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334471","23.528","0.005","17.08","0.003","7.386","0.0015","90","","95.83","0.03","90","","2952.8","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H40 In K N4 O6 Te2 -","- C16 H24 In K N4 O6 Te2 -","- C64 H96 In4 K4 N16 O24 Te8 -","4","0.5","","Johanna Heine; Silke Santner; Stefanie Dehnen","Synthesis of Complex Polymeric Telluridoindates from KInTe2","Inorganic Chemistry","2013","52","","4424","4430","10.1021/ic302613g","","","0.71073","MoKα","","0.0664","0.0541","","","0.1386","0.145","","","","","","1.015","","","","has coordinates","201210","2020-10-21","18:00:00",""
"4334472","15.254","0.003","26.26","0.005","8.0687","0.0016","90","","101.68","0.03","90","","3165.2","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H40 In K N3 O6 Te3 -","- C19 H38 In K N3 O6 Te3 -","- C76 H152 In4 K4 N12 O24 Te12 -","4","1","","Johanna Heine; Silke Santner; Stefanie Dehnen","Synthesis of Complex Polymeric Telluridoindates from KInTe2","Inorganic Chemistry","2013","52","","4424","4430","10.1021/ic302613g","","","0.71073","MoKα","","0.2012","0.0949","","","0.1847","0.224","","","","","","1.001","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334473","12.355","0.003","14.059","0.003","15.128","0.003","68.91","0.03","73.34","0.03","79.92","0.03","2341.2","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H54 In4 N4 Te8 -","- C26 H52 In4 N4 Te8 -","- C52 H104 In8 N8 Te16 -","2","1","","Johanna Heine; Silke Santner; Stefanie Dehnen","Synthesis of Complex Polymeric Telluridoindates from KInTe2","Inorganic Chemistry","2013","52","","4424","4430","10.1021/ic302613g","","","0.71073","MoKα","","0.0981","0.0521","","","0.0979","0.1068","","","","","","0.837","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334474","27.762","0.013","27.762","0.013","36.444","0.011","90","","90","","90","","28088","2","100","2","100","2","","","","","","","","2","I -4 m 2","I -4 -2","119","","","","- In24 Te46 -","- In24 Te46 -","- In96 Te184 -","4","0.25","","Johanna Heine; Silke Santner; Stefanie Dehnen","Synthesis of Complex Polymeric Telluridoindates from KInTe2","Inorganic Chemistry","2013","52","","4424","4430","10.1021/ic302613g","","","0.71073","MoKα","","0.2949","0.0732","","","0.1486","0.1754","","","","","","0.768","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334475","29.5","0.004","29.5","0.004","29.5","0.004","90","","90","","90","","25672","6","100","2","100","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C77 H91 Cl9 Mo N9 -","- C77 H91 Cl9 Mo N9 -","- C924 H1092 Cl108 Mo12 N108 -","12","0.25","","Elisabeth Seikel; Benjamin Oelkers; Olaf Burghaus; Jörg Sundermeyer","Soluble Molybdenum(V) Imido Phthalocyanines and Pyrazinoporphyrazines: Crystal Structure, UV-vis and Electron Paramagnetic Resonance Spectroscopic Studies","Inorganic Chemistry","2013","52","","4451","4457","10.1021/ic3026914","","","0.71073","MoKα","","0.1448","0.0561","","","0.1226","0.1386","","","","","","0.667","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334476","8.0904","0.0011","18.019","0.003","15.221","0.002","90","","102.117","0.002","90","","2169.5","0.5","100","2","100","2","","","","","","","benzene, hexane","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cr N4 O4 -","- C24 H22 Cr N4 O4 -","- C96 H88 Cr4 N16 O16 -","4","0.5","","Mei Wang; Jason England; Thomas Weyhermüller; Swarna-Latha Kokatam; Christopher J. Pollock; Serena DeBeer; Jingmei Shen; Glenn P.A. Yap; Klaus H. Theopold; Karl Wieghardt","New Complexes of Chromium(III) Containing Organic π-Radical Ligands: An Experimental and Density Functional Theory Study","Inorganic Chemistry","2013","52","","4472","4487","10.1021/ic302743s","","","0.71073","MoKα","","0.0475","0.0355","","","0.0899","0.0984","","","","","","1.089","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334477","9.623","0.0012","16.838","0.002","14.639","0.002","90","","108.346","0.002","90","","2251.4","0.5","100","2","100","2","","","","","","","diethyelether","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 Cr N4 O4 -","- C20 H32 Cr N4 O4 -","- C80 H128 Cr4 N16 O16 -","4","1","","Mei Wang; Jason England; Thomas Weyhermüller; Swarna-Latha Kokatam; Christopher J. Pollock; Serena DeBeer; Jingmei Shen; Glenn P.A. Yap; Klaus H. Theopold; Karl Wieghardt","New Complexes of Chromium(III) Containing Organic π-Radical Ligands: An Experimental and Density Functional Theory Study","Inorganic Chemistry","2013","52","","4472","4487","10.1021/ic302743s","","","0.71073","MoKα","","0.0327","0.0275","","","0.0759","0.0799","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334478","8.157","0.002","10.131","0.002","31.714","0.007","90","","92.545","0.004","90","","2618.2","1","100","2","100","2","","","","","","","acetonitrile, diethylether","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cr F6 N4 O4 P -","- C24 H22 Cr F6 N4 O4 P -","- C96 H88 Cr4 F24 N16 O16 P4 -","4","1","","Mei Wang; Jason England; Thomas Weyhermüller; Swarna-Latha Kokatam; Christopher J. Pollock; Serena DeBeer; Jingmei Shen; Glenn P.A. Yap; Klaus H. Theopold; Karl Wieghardt","New Complexes of Chromium(III) Containing Organic π-Radical Ligands: An Experimental and Density Functional Theory Study","Inorganic Chemistry","2013","52","","4472","4487","10.1021/ic302743s","","","0.71073","MoKα","","0.0565","0.0517","","","0.127","0.1297","","","","","","1.187","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334479","17.205","0.002","17.205","0.002","46.944","0.008","90","","90","","120","","12034","3","200","2","200","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C42 H72 Cr N6 -","- C42 H72 Cr N6 -","- C504 H864 Cr12 N72 -","12","0.333333","","Mei Wang; Jason England; Thomas Weyhermüller; Swarna-Latha Kokatam; Christopher J. Pollock; Serena DeBeer; Jingmei Shen; Glenn P.A. Yap; Klaus H. Theopold; Karl Wieghardt","New Complexes of Chromium(III) Containing Organic π-Radical Ligands: An Experimental and Density Functional Theory Study","Inorganic Chemistry","2013","52","","4472","4487","10.1021/ic302743s","","","0.71073","MoKα","","0.0569","0.0446","","","0.1043","0.1124","","","","","","1.013","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334480","25.1758","0.0006","11.2059","0.0002","24.0098","0.0004","90","","117.132","0.005","90","","6028.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63 H72 Cr F9 N3 O3 -","- C63 H72 Cr F9 N3 O3 -","- C252 H288 Cr4 F36 N12 O12 -","4","1","","Mei Wang; Jason England; Thomas Weyhermüller; Swarna-Latha Kokatam; Christopher J. Pollock; Serena DeBeer; Jingmei Shen; Glenn P.A. Yap; Klaus H. Theopold; Karl Wieghardt","New Complexes of Chromium(III) Containing Organic π-Radical Ligands: An Experimental and Density Functional Theory Study","Inorganic Chemistry","2013","52","","4472","4487","10.1021/ic302743s","","","0.71073","MoKα","","0.0867","0.0659","","","0.1479","0.1588","","","","","","1.087","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334481","18.281","0.003","16.469","0.002","17.2442","0.0009","90","","113.881","0.01","90","","4747.2","1.1","100","2","100","2","","","","","","","acetonitrile, diethylether","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46.22 Cr F12 N6 O4.11 P2 -","- C46 H46 Cr F12 N6 O4.11 P2 -","- C184 H184 Cr4 F48 N24 O16.44 P8 -","4","1","","Mei Wang; Jason England; Thomas Weyhermüller; Swarna-Latha Kokatam; Christopher J. Pollock; Serena DeBeer; Jingmei Shen; Glenn P.A. Yap; Klaus H. Theopold; Karl Wieghardt","New Complexes of Chromium(III) Containing Organic π-Radical Ligands: An Experimental and Density Functional Theory Study","Inorganic Chemistry","2013","52","","4472","4487","10.1021/ic302743s","","","0.71073","MoKα","","0.087","0.0528","","","0.0978","0.1125","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334482","18.1839","0.0013","18.1839","0.0013","15.4582","0.0016","90","","90","","120","","4426.5","0.6","100","2","100","2","","","","","","","tetrahydrofuran, hexane","4","R -3 c :H","-R 3 2""c","167","","","","- C36 H36 Cr N6 -","- C36 H36 Cr N6 -","- C216 H216 Cr6 N36 -","6","0.166667","","Mei Wang; Jason England; Thomas Weyhermüller; Swarna-Latha Kokatam; Christopher J. Pollock; Serena DeBeer; Jingmei Shen; Glenn P.A. Yap; Klaus H. Theopold; Karl Wieghardt","New Complexes of Chromium(III) Containing Organic π-Radical Ligands: An Experimental and Density Functional Theory Study","Inorganic Chemistry","2013","52","","4472","4487","10.1021/ic302743s","","","0.71073","MoKα","","0.0456","0.0402","","","0.1107","0.1186","","","","","","1.094","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334483","17.1205","0.0002","16.9183","0.0002","21.4057","0.0003","90","","109.292","0.001","90","","5852","0.13","150","2","150","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C116 H158 B Cl F26 P4 Rh2 -","- C116 H157.99 B Cl F26.01 P4 Rh2 -","- C232 H315.98 B2 Cl2 F52.02 P8 Rh4 -","2","0.5","","Laura J. Sewell; Miguel A. Huertos; Molly E. Dickinson; Andrew S. Weller; Guy C. Lloyd-Jones","Dehydrocoupling of Dimethylamine Borane Catalyzed by Rh(PCy3)2H2Cl","Inorganic Chemistry","2013","52","","4509","4516","10.1021/ic302804d","","","0.71073","MoKα","","0.0866","0.0468","","","0.1045","0.1199","","","","","","1.025","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334484","14.7124","0.0006","15.6131","0.0007","17.1848","0.0007","90","","90","","90","","3947.5","0.3","110","2","110","2","","","","","","","","9","A b a 2","A 2 -2ab","41","","","","- C10 H27 Cl F6 N3 O2 P Ru S2 -","- C10 H27 Cl F6 N3 O2 P Ru S2 -","- C80 H216 Cl8 F48 N24 O16 P8 Ru8 S16 -","8","","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.71073","MoKα","","0.0239","0.0236","","","0.0588","0.059","","","","","","1.055","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334485","17.934","0.003","10.6572","0.0016","13.783","0.002","90","","90.055","0.004","90","","2634.3","0.7","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 F12 N5 O P2 Ru S -","- C18 H29 F12 N5 O P2 Ru S -","- C72 H116 F48 N20 O4 P8 Ru4 S4 -","4","1","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.71073","MoKα","","0.058","0.0407","","","0.0905","0.0997","","","","","","1.024","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334486","9.947","0.004","10.678","0.004","16.409","0.006","93.116","0.007","107.14","0.007","114.478","0.007","1484.2","1","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H33 F12 N5 O2 P2 Ru S -","- C21 H33 F12 N5 O2 P2 Ru S -","- C42 H66 F24 N10 O4 P4 Ru2 S2 -","2","1","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.71073","MoKα","","0.0313","0.0285","","","0.0746","0.0767","","","","","","1.056","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334487","9.5843","0.0008","11.432","0.001","18.2955","0.0016","90","","90.604","0.002","90","","2004.5","0.3","110","2","110","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C10 H29 Cl F6 N5 O P Ru S -","- C10 H29 Cl F6 N5 O P Ru S -","- C40 H116 Cl4 F24 N20 O4 P4 Ru4 S4 -","4","1","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.71073","MoKα","","0.0234","0.0213","","","0.0517","0.0529","","","","","","1.064","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334488","11.2999","0.0013","15.1247","0.0017","20.609","0.002","79.083","0.003","89.207","0.002","69.075","0.002","3224.8","0.6","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H37 Cl F6 N3 P3 Ru -","- C31 H37 Cl F6 N3 P3 Ru -","- C124 H148 Cl4 F24 N12 P12 Ru4 -","4","2","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.71073","MoKα","","0.0684","0.0435","","","0.1024","0.113","","","","","","1.04","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334489","18.955","0.0007","18.955","0.0007","16.9765","0.0006","90","","90","","120","","5282.3","0.3","110","","110","","","","","","","","","7","P 3 c 1","P 3 -2""c","158","","","","- C32 H39 Cl F6 N3 P3 Ru -","- C32 H39 Cl F6 N3 P3 Ru -","- C192 H234 Cl6 F36 N18 P18 Ru6 -","6","1","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.7107","MoKα","","0.0486","0.0417","","","0.0987","0.104","","","","","","1.044","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334490","9.70362","0.00019","20.1181","0.0004","17.9253","0.0004","90","","94.431","0.002","90","","3488.89","0.13","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H48.75 Cl2 N3 O3 P2 Ru -","- C34 H48.7456 Cl2 N3 O3 P2 Ru -","- C136 H194.982 Cl8 N12 O12 P8 Ru4 -","4","1","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.7107","MoKα","","0.0442","0.0344","","","0.0761","0.0813","","","","","","1.034","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334491","8.8119","0.0007","10.6377","0.0009","20.0033","0.0013","75.11","0.007","88.833","0.006","78.932","0.007","1777.6","0.2","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C34 H51 Cl2 N3 O4 P2 Ru -","- C34 H51 Cl2 N3 O4 P2 Ru -","- C68 H102 Cl4 N6 O8 P4 Ru2 -","2","1","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.7107","MoKα","","0.0734","0.0666","","","0.1943","0.2037","","","","","","1.084","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334492","16.9554","0.0003","9.90919","0.00014","20.2316","0.0005","90","","113.859","0.003","90","","3108.71","0.13","110","0.1","110","0.1","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C32 H40 Cl2 N3 O1.5 P2 Ru -","- C32 H40 Cl2 N3 O1.5 P2 Ru -","- C128 H160 Cl8 N12 O6 P8 Ru4 -","4","1","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.7107","MoKα","","0.0403","0.0314","","","0.0689","0.0737","","","","","","1.073","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334493","18.3263","0.0007","8.5294","0.0002","26.4162","0.0013","90","","109.141","0.005","90","","3900.9","0.3","110","","110","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C39 H51 Cl2 N3 O3 P2 Ru -","- C39 H51 Cl2 N3 O3 P2 Ru -","- C156 H204 Cl8 N12 O12 P8 Ru4 -","4","1","","Aimee J. Gamble; Jason M. Lynam; Robert J. Thatcher; Paul H. Walton; Adrian C. Whitwood","cis-1,3,5-Triaminocyclohexane as a Facially Capping Ligand for Ruthenium(II)","Inorganic Chemistry","2013","52","","4517","4527","10.1021/ic302819j","","","0.7107","MoKα","","0.0305","0.0283","","","0.057","0.0585","","","","","","1.035","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334494","7.5719","0.0001","11.1784","0.0003","11.7873","0.0003","90","","122.184","0.002","90","","844.39","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl2 N2 Pt -","- C6 H6 Cl2 N2 Pt -","- C24 H24 Cl8 N8 Pt4 -","4","1","","Balazs Pinter; Damijana Urankar; Andrej Pevec; Frank De Proft; Janez Košmrlj","Platinum-Mediated Dinitrogen Liberation from 2-Picolyl Azide through a Putative Pt=N Double Bond Containing Intermediate","Inorganic Chemistry","2013","52","","4528","4533","10.1021/ic302834e","","","0.71073","MoKα","","0.0251","0.0223","","","0.0525","0.0536","","","","","","1.121","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334495","9.0943","0.001","11.5545","0.0008","15.2727","0.0012","75.33","","76.517","0.005","84.67","","1508.8","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H46 Co2 F18 N8 O4 P3 -","- C46 H50 Co2 F18 N8 O8 P3 -","- C46 H50 Co2 F18 N8 O8 P3 -","1","0.5","","Bao Li; Li-Qin Chen; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Unidirectional Charge Transfer in Di-cobalt Valence Tautomeric Compound Finely Tuned by Ancillary Ligand","Inorganic Chemistry","2013","52","","4136","4138","10.1021/ic4000268","","","0.71073","MoKα","","0.0965","0.0871","","","0.2273","0.2356","","","","","","1.039","","","","has coordinates,has disorder","179447","2020-10-21","18:00:00",""
"4334496","19.86","0.03","15.81","0.03","16.81","0.03","90","","101.02","0.02","90","","5181","16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Co2 N8 O4 -","- C44 H42 Co2 N8 O4 -","- C176 H168 Co8 N32 O16 -","4","1","","Bao Li; Li-Qin Chen; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Unidirectional Charge Transfer in Di-cobalt Valence Tautomeric Compound Finely Tuned by Ancillary Ligand","Inorganic Chemistry","2013","52","","4136","4138","10.1021/ic4000268","","","0.71073","MoKα","","0.2628","0.109","","","0.2782","0.3414","","","","","","0.85","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334497","8.6399","0.0017","9.0423","0.0018","15.923","0.003","81.82","0.03","88.16","0.03","78.27","0.03","1205.6","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H42 B4 Co2 F16 N8 O4 -","- C44 H42 B4 Co2 F16 N8 O4 -","- C44 H42 B4 Co2 F16 N8 O4 -","1","0.5","","Bao Li; Li-Qin Chen; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng","Unidirectional Charge Transfer in Di-cobalt Valence Tautomeric Compound Finely Tuned by Ancillary Ligand","Inorganic Chemistry","2013","52","","4136","4138","10.1021/ic4000268","","","0.71073","MoKα","","0.0828","0.0729","","","0.1946","0.2021","","","","","","1.089","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334498","11.114","0.002","12.164","0.002","17.566","0.004","80.92","0.03","71.81","0.03","66.33","0.03","2064.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H47 Ge N5 P2 Si3 -","- C34 H47 Ge N5 P2 Si3 -","- C68 H94 Ge2 N10 P4 Si6 -","2","1","","Wing-Por Leung; Kwok-Wai Kan; Yuk-Chi Chan; Thomas C. W. Mak","Synthesis of Hetero-Binuclear Complexes from Bisgermavinylidene","Inorganic Chemistry","2013","52","","4571","4577","10.1021/ic400056f","","","0.71073","MoKα","","0.0528","0.0486","","","0.1335","0.1372","","","","","","1.077","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334499","13.7031","0.0009","19.3306","0.0014","20.8662","0.0015","99.134","0.002","90.603","0.002","95.525","0.002","5429.9","0.7","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C49 H40 B F15 Ge N2 O P2 Si2 -","- C49 H40 B F15 Ge N2 O P2 Si2 -","- C196 H160 B4 F60 Ge4 N8 O4 P8 Si8 -","4","2","","Wing-Por Leung; Kwok-Wai Kan; Yuk-Chi Chan; Thomas C. W. Mak","Synthesis of Hetero-Binuclear Complexes from Bisgermavinylidene","Inorganic Chemistry","2013","52","","4571","4577","10.1021/ic400056f","","","0.71073","MoKα","","0.1568","0.0654","","","0.1401","0.1629","","","","","","0.876","","","","has coordinates","179447","2020-10-21","18:00:00",""
"4334500","11.3654","0.0019","22.953","0.004","19.251","0.003","90","","102.251","0.003","90","","4907.6","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H64 Ge N5 P2 Si2 Sn -","- C43 H64 Ge N5 P2 Si2 Sn -","- C172 H256 Ge4 N20 P8 Si8 Sn4 -","4","1","","Wing-Por Leung; Kwok-Wai Kan; Yuk-Chi Chan; Thomas C. W. Mak","Synthesis of Hetero-Binuclear Complexes from Bisgermavinylidene","Inorganic Chemistry","2013","52","","4571","4577","10.1021/ic400056f","","","0.71073","MoKα","","0.0817","0.0382","","","0.0873","0.1087","","","","","","1.011","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334501","23.185","0.002","13.0651","0.0013","28.177","0.003","90","","109.3","0.002","90","","8055.5","1.4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cl8 Ge2 Mn2 N4 P4 Si4 -","- C64 H80 Cl8 Ge2 Mn2 N4 P4 Si4 -","- C256 H320 Cl32 Ge8 Mn8 N16 P16 Si16 -","4","0.5","","Wing-Por Leung; Kwok-Wai Kan; Yuk-Chi Chan; Thomas C. W. Mak","Synthesis of Hetero-Binuclear Complexes from Bisgermavinylidene","Inorganic Chemistry","2013","52","","4571","4577","10.1021/ic400056f","","","0.71073","MoKα","","0.0653","0.0417","","","0.1108","0.1265","","","","","","1.025","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334502","42.371","0.005","11.1108","0.0013","19.497","0.002","90","","104.585","0.002","90","","8882.9","1.7","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C33.25 H42.5 Cl2.5 Fe Ge N2 O0.5 P2 Si2 -","- C33.25 H38 Cl2.5 Fe Ge N2 O0.5 P2 Si2 -","- C266 H304 Cl20 Fe8 Ge8 N16 O4 P16 Si16 -","8","1","","Wing-Por Leung; Kwok-Wai Kan; Yuk-Chi Chan; Thomas C. W. Mak","Synthesis of Hetero-Binuclear Complexes from Bisgermavinylidene","Inorganic Chemistry","2013","52","","4571","4577","10.1021/ic400056f","","","0.71073","MoKα","","0.0846","0.0526","","","0.1689","0.2007","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334503","11.663","0.005","13.228","0.005","19.69","0.005","90","0.005","106.216","0.005","90","0.005","2916.9","1.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H37 Cl Co2 N2 O15 -","- C24 H37 Cl Co2 N2 O15 -","- C96 H148 Cl4 Co8 N8 O60 -","4","1","","Vadapalli Chandrasekhar; Atanu Dey; Antonio J. Mota; Enrique Colacio","Slow Magnetic Relaxation in Co(III)-Co(II) Mixed-Valence Dinuclear Complexes with a CoIIO5X (X = Cl, Br, NO3) Distorted-Octahedral Coordination Sphere","Inorganic Chemistry","2013","52","","4554","4561","10.1021/ic400073y","","","0.71069","MoKα","","0.068","0.0634","","","0.1672","0.1721","","","","","","1.054","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334504","11.67","0.002","13.369","0.002","19.766","0.003","90","","106.395","0.004","90","","2958.4","0.8","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H36 Br Co2 N2 O15 -","- C24 H36 Br Co2 N2 O15 -","- C96 H144 Br4 Co8 N8 O60 -","4","1","","Vadapalli Chandrasekhar; Atanu Dey; Antonio J. Mota; Enrique Colacio","Slow Magnetic Relaxation in Co(III)-Co(II) Mixed-Valence Dinuclear Complexes with a CoIIO5X (X = Cl, Br, NO3) Distorted-Octahedral Coordination Sphere","Inorganic Chemistry","2013","52","","4554","4561","10.1021/ic400073y","","","0.71073","MoKα","","0.0368","0.0337","","","0.074","0.0757","","","","","","1.012","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334505","12.513","0.002","13.02","0.002","19.069","0.003","90","","105.583","0.003","90","","2992.5","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H32 Co2 N3 O17 -","- C24 H32 Co2 N3 O17 -","- C96 H128 Co8 N12 O68 -","4","1","","Vadapalli Chandrasekhar; Atanu Dey; Antonio J. Mota; Enrique Colacio","Slow Magnetic Relaxation in Co(III)-Co(II) Mixed-Valence Dinuclear Complexes with a CoIIO5X (X = Cl, Br, NO3) Distorted-Octahedral Coordination Sphere","Inorganic Chemistry","2013","52","","4554","4561","10.1021/ic400073y","","","0.71073","MoKα","","0.0575","0.0499","","","0.1191","0.1268","","","","","","1.051","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334506","17.936","0.005","18.337","0.005","26.005","0.005","72.163","0.005","73.427","0.005","65.49","0.005","7284","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H198 Gd8 N16 O48 -","- C114 H198 Gd8 N16 O48 -","- C228 H396 Gd16 N32 O96 -","2","1","","Vadapalli Chandrasekhar; Prasenjit Bag; Enrique Colacio","Octanuclear {Ln(III)8} (Ln = Gd, Tb, Dy, Ho) Macrocyclic Complexes in a Cyclooctadiene-like Conformation: Manifestation of Slow Relaxation of Magnetization in the Dy(III) Derivative","Inorganic Chemistry","2013","52","","4562","4570","10.1021/ic400091j","","","0.71069","MoKα","","0.0607","0.0425","","","0.0971","0.1065","","","","","","1.026","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334507","18.261","0.003","18.261","0.003","44.911","0.009","90","","90","","90","","14976","5","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C112 H192 N16 O48 Tb8 -","- C112 H192 N16 O48 Tb8 -","- C448 H768 N64 O192 Tb32 -","4","0.25","","Vadapalli Chandrasekhar; Prasenjit Bag; Enrique Colacio","Octanuclear {Ln(III)8} (Ln = Gd, Tb, Dy, Ho) Macrocyclic Complexes in a Cyclooctadiene-like Conformation: Manifestation of Slow Relaxation of Magnetization in the Dy(III) Derivative","Inorganic Chemistry","2013","52","","4562","4570","10.1021/ic400091j","","","0.71073","MoKα","","0.0585","0.0475","","","0.1242","0.1333","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334508","18.228","0.003","18.228","0.003","44.831","0.009","90","","90","","90","","14896","5","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C116 H200 Dy8 N16 O48 -","- C116 H200 Dy8 N16 O48 -","- C464 H800 Dy32 N64 O192 -","4","0.25","","Vadapalli Chandrasekhar; Prasenjit Bag; Enrique Colacio","Octanuclear {Ln(III)8} (Ln = Gd, Tb, Dy, Ho) Macrocyclic Complexes in a Cyclooctadiene-like Conformation: Manifestation of Slow Relaxation of Magnetization in the Dy(III) Derivative","Inorganic Chemistry","2013","52","","4562","4570","10.1021/ic400091j","","","0.71073","MoKα","","0.082","0.0548","","","0.1439","0.1685","","","","","","1.053","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334509","18.183","0.003","18.183","0.003","44.626","0.009","90","","90","","90","","14754","5","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C112 H192 Ho8 N16 O48 -","- C112 H192 Ho8 N16 O48 -","- C448 H768 Ho32 N64 O192 -","4","0.25","","Vadapalli Chandrasekhar; Prasenjit Bag; Enrique Colacio","Octanuclear {Ln(III)8} (Ln = Gd, Tb, Dy, Ho) Macrocyclic Complexes in a Cyclooctadiene-like Conformation: Manifestation of Slow Relaxation of Magnetization in the Dy(III) Derivative","Inorganic Chemistry","2013","52","","4562","4570","10.1021/ic400091j","","","0.71073","MoKα","","0.0647","0.0492","","","0.1222","0.1327","","","","","","1.05","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334510","15.0152","0.0007","15.689","0.0006","24.8277","0.0012","90","","102.512","0.0017","90","","5709.8","0.4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H64 F30 Mg Mo2 N8 O8 -","- C98 H64 F30 Mg Mo2 N8 O8 -","- C196 H128 F60 Mg2 Mo4 N16 O16 -","2","0.5","","Izana Nigel-Etinger; Israel Goldberg; Zeev Gross","Intriguing Chemistry of Molybdenum Corroles","Inorganic Chemistry","2013","52","","4139","4141","10.1021/ic400116u","","","0.71073","MoKα","","0.126","0.0791","","","0.1895","0.2067","","","","","","1.072","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334511","45.7579","0.0008","14.8658","0.0003","17.4","0.0003","90","","103.956","0.001","90","","11486.6","0.4","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H38.9 N17.5 Nd2 O14.2 -","- C47 H34 N17.5 Nd2 O14.2 -","- C376 H272 N140 Nd16 O113.6 -","8","1","","Nikolaos C. Anastasiadis; Carlos M. Granadeiro; Nikolaos Klouras; Luís Cunha-Silva; Catherine P. Raptopoulou; Vassilis Psycharis; Vlasoula Bekiari; Salete S. Balula; Albert Escuer; Spyros P. Perlepes","Dinuclear Lanthanide(III) Complexes by Metal-Ion-Assisted Hydration of Di-2-pyridyl Ketone Azine","Inorganic Chemistry","2013","52","","4145","4147","10.1021/ic400185e","","","1.54178","CuKα","","0.0578","0.0544","","","0.1438","0.1472","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334512","12.239","0.0002","17.4002","0.0003","24.9997","0.0005","90","","94.405","0.001","90","","5308.24","0.16","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 Eu2 N18 O15 -","- C48 H42 Eu2 N18 O15 -","- C192 H168 Eu8 N72 O60 -","4","1","","Nikolaos C. Anastasiadis; Carlos M. Granadeiro; Nikolaos Klouras; Luís Cunha-Silva; Catherine P. Raptopoulou; Vassilis Psycharis; Vlasoula Bekiari; Salete S. Balula; Albert Escuer; Spyros P. Perlepes","Dinuclear Lanthanide(III) Complexes by Metal-Ion-Assisted Hydration of Di-2-pyridyl Ketone Azine","Inorganic Chemistry","2013","52","","4145","4147","10.1021/ic400185e","","","1.54178","CuKα","","0.0914","0.0734","","","0.1285","0.142","","","","","","1.027","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334513","11.632","0.003","12.699","0.004","13.603","0.005","95.315","0.014","104.618","0.019","113.66","0.018","1737.7","1","173","2","173","2","","","","","","","","6","P 1","P 1","1","silver(I)penicillaminato hydrate","","","- C40 H96 Ag8 N8 O24 S8 -","- C40 H96 Ag8 N8 O24 S8 -","- C40 H96 Ag8 N8 O24 S8 -","1","1","","Bonnie O. Leung; Farideh Jalilehvand; Vicky Mah; Masood Parvez; Qiao Wu","Silver(I) Complex Formation with Cysteine, Penicillamine, and Glutathione","Inorganic Chemistry","2013","52","","4593","4602","10.1021/ic400192c","","","0.71073","MoKα","","0.1488","0.0619","","","0.0969","0.1247","","","","","","1.024","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334514","18.524","0.004","18.559","0.003","16.309","0.003","90","","94.435","0.009","90","","5590","1.8","143","1","143","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 Ce N8 -","- C52 H60 Ce N8 -","- C208 H240 Ce4 N32 -","4","0.5","","Ursula J. Williams; Brian D. Mahoney; Andrew J. Lewis; Patrick T. DeGregorio; Patrick J. Carroll; Eric J. Schelter","Single Crystal to Single Crystal Transformation and Hydrogen-Atom Transfer upon Oxidation of a Cerium Coordination Compound","Inorganic Chemistry","2013","52","","4142","4144","10.1021/ic4001973","","","0.71073","MoKα","","0.0249","0.0233","","","0.0728","0.0748","","","","","","1.241","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334515","18.62","0.003","18.51","0.003","16.014","0.002","90","","98.146","0.007","90","","5463.6","1.4","143","1","143","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H60 Ce N8 -","- C52 H60 Ce N8 -","- C208 H240 Ce4 N32 -","4","0.5","","Ursula J. Williams; Brian D. Mahoney; Andrew J. Lewis; Patrick T. DeGregorio; Patrick J. Carroll; Eric J. Schelter","Single Crystal to Single Crystal Transformation and Hydrogen-Atom Transfer upon Oxidation of a Cerium Coordination Compound","Inorganic Chemistry","2013","52","","4142","4144","10.1021/ic4001973","","","0.71073","MoKα","","0.0282","0.025","","","0.0694","0.0718","","","","","","1.138","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334516","14.7289","0.0002","18.6045","0.0001","13.52","0.0001","90","","111.571","0.001","90","","3445.33","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 Hg2 N4 Se8 Sn2 -","- C18 H34 Hg2 N4 Se8 Sn2 -","- C72 H136 Hg8 N16 Se32 Sn8 -","4","1","","Wei-Wei Xiong; Pei-Zhou Li; Tian-Hua Zhou; Alfred Iing Yoong Tok; Rong Xu; Yanli Zhao; Qichun Zhang","Kinetically Controlling Phase Transformations of Crystalline Mercury Selenidostannates through Surfactant Media","Inorganic Chemistry","2013","52","","4148","4150","10.1021/ic4002169","","","1.54178","CuKα","","0.0615","0.0592","","","0.166","0.1677","","","","","","1.074","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334517","10.39","0.002","12.244","0.002","13.977","0.003","86.58","0.03","79.51","0.03","70.14","0.03","1644.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 Hg2 N4 Se7 Sn2 -","- C18 H34 Hg2 N4 Se7 Sn2 -","- C36 H68 Hg4 N8 Se14 Sn4 -","2","1","","Wei-Wei Xiong; Pei-Zhou Li; Tian-Hua Zhou; Alfred Iing Yoong Tok; Rong Xu; Yanli Zhao; Qichun Zhang","Kinetically Controlling Phase Transformations of Crystalline Mercury Selenidostannates through Surfactant Media","Inorganic Chemistry","2013","52","","4148","4150","10.1021/ic4002169","","","0.71073","MoKα","","0.0772","0.0492","","","0.1095","0.123","","","","","","1.014","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334518","8.4033","0.00004","13.69246","0.00006","7.24076","0.00002","90","","100.582","0.0004","90","","818.965","0.006","100","","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C14 H17 Mo N3 O8 -","- C14 H15 Mo N3 O8 -","- C28 H30 Mo2 N6 O16 -","2","1","","Tatiana R. Amarante; Patrícia Neves; Anabela A. Valente; Filipe A. Almeida Paz; Andrew N. Fitch; Martyn Pillinger; Isabel S. Gonçalves","Hydrothermal Synthesis, Crystal Structure, and Catalytic Potential of a One-Dimensional Molybdenum Oxide/Bipyridinedicarboxylate Hybrid","Inorganic Chemistry","2013","52","","4618","4628","10.1021/ic400248m","powder diffraction","","0.39981","Synchrotron","","","","","","","","","9.3191","","","","","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334519","12.4547","0.0011","12.4547","","14.3765","0.0013","90","","90","","120","","1931.3","0.2","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","Pt3(mu-PBut2)3I3","","","- C24 H54 I3 P3 Pt3 -","- C24 H54 I3 P3 Pt3 -","- C48 H108 I6 P6 Pt6 -","2","0.166667","","Tiziana Funaioli; Piero Leoni; Lorella Marchetti; Alberto Albinati; Silvia Rizzato; Fabrizia Fabrizi de Biani; Andrea Ienco; Gabriele Manca; Carlo Mealli","Unprecedented Tris-Phosphido-Bridged Triangular Clusters with 42 Valence Electrons. Chemical, Electrochemical and Computational Studies of their Formation and Stability","Inorganic Chemistry","2013","52","","4635","4647","10.1021/ic400251y","","","0.71073","MoKα","","0.0212","0.0183","","","0.0409","0.0419","","","","","","1.048","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334520","11.9553","0.0008","11.9553","","14.656","0.001","90","","90","","120","","1814.12","0.17","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","Pt3(mu-PBut2)3Br3","","","- C24 H54 Br3 P3 Pt3 -","- C24 H54 Br3 P3 Pt3 -","- C48 H108 Br6 P6 Pt6 -","2","0.166667","","Tiziana Funaioli; Piero Leoni; Lorella Marchetti; Alberto Albinati; Silvia Rizzato; Fabrizia Fabrizi de Biani; Andrea Ienco; Gabriele Manca; Carlo Mealli","Unprecedented Tris-Phosphido-Bridged Triangular Clusters with 42 Valence Electrons. Chemical, Electrochemical and Computational Studies of their Formation and Stability","Inorganic Chemistry","2013","52","","4635","4647","10.1021/ic400251y","","","0.71073","MoKα","","0.0269","0.0207","","","0.0431","0.0452","","","","","","1.095","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334521","11.6624","0.0014","11.6624","","14.8688","0.0018","90","","90","","120","","1751.4","0.3","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","Pt3(mu-PBut2)3Cl3","","","- C24 H54 Cl3 P3 Pt3 -","- C24 H54 Cl3 P3 Pt3 -","- C48 H108 Cl6 P6 Pt6 -","2","0.166667","","Tiziana Funaioli; Piero Leoni; Lorella Marchetti; Alberto Albinati; Silvia Rizzato; Fabrizia Fabrizi de Biani; Andrea Ienco; Gabriele Manca; Carlo Mealli","Unprecedented Tris-Phosphido-Bridged Triangular Clusters with 42 Valence Electrons. Chemical, Electrochemical and Computational Studies of their Formation and Stability","Inorganic Chemistry","2013","52","","4635","4647","10.1021/ic400251y","","","0.71069","MoKα","","0.046","0.0384","","","0.0955","0.0988","","","","","","1.308","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334522","8.704","0.003","22.53","0.008","13.543","0.005","90","","108.07","0.02","90","","2524.8","1.6","100","2","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Cl6 Li2 Mo4 N8 O8 S8 -","- C34 H36 Cl6 Li2 Mo4 N8 O8 S8 -","- C68 H72 Cl12 Li4 Mo8 N16 O16 S16 -","2","0.5","","Brian S. Dolinar; John F. Berry","Lewis Acid Enhanced Axial Ligation of [Mo2]4+ Complexes","Inorganic Chemistry","2013","52","","4658","4667","10.1021/ic400275x","","x-ray","0.71073","MoKα","K-L~3~","0.0504","0.0309","","","0.0621","0.0683","","","","","","1.042","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334523","10.6032","0.0007","12.5912","0.001","15.8418","0.0015","90","","90","","90","","2115","0.3","100","","100","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C16 H16 Mo2 N4 O4 S4 -","- C16 H16 Mo2 N4 O4 S4 -","- C64 H64 Mo8 N16 O16 S16 -","4","0.5","","Brian S. Dolinar; John F. Berry","Lewis Acid Enhanced Axial Ligation of [Mo2]4+ Complexes","Inorganic Chemistry","2013","52","","4658","4667","10.1021/ic400275x","","x-ray","1.54178","CuKα","K-L~3~","0.0281","0.0271","","","0.0733","0.0741","","","","","","1.115","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334524","10.6871","0.0003","19.8411","0.0006","15.3151","0.0005","90","","106.159","0.001","90","","3119.17","0.16","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H30 Cl3 Mo2 N4 O4 S4 -","- C23 H30 Cl3 Mo2 N4 O4 S4 -","- C92 H120 Cl12 Mo8 N16 O16 S16 -","4","1","","Brian S. Dolinar; John F. Berry","Lewis Acid Enhanced Axial Ligation of [Mo2]4+ Complexes","Inorganic Chemistry","2013","52","","4658","4667","10.1021/ic400275x","","","0.71073","MoKα","","0.0389","0.029","","","0.0664","0.0709","","","","","","1.063","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334525","8.6895","0.0003","13.7221","0.0005","26.1281","0.0009","90","","90","","90","","3115.47","0.19","100","","100","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Cl Li Mo2 N6 O4 S4 -","- C26 H26 Cl Li Mo2 N6 O4 S4 -","- C104 H104 Cl4 Li4 Mo8 N24 O16 S16 -","4","1","","Brian S. Dolinar; John F. Berry","Lewis Acid Enhanced Axial Ligation of [Mo2]4+ Complexes","Inorganic Chemistry","2013","52","","4658","4667","10.1021/ic400275x","","x-ray","0.71073","MoKα","K-L~3~","0.0204","0.0186","","","0.0381","0.0387","","","","","","1.106","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334526","17.2124","0.0002","33.4786","0.0005","19.9855","0.0002","90","","102.631","0.0012","90","","11237.9","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C120 H130 Cl8 Fe N9 P -","- C120 H130 Cl8 Fe N9 P -","- C480 H520 Cl32 Fe4 N36 P4 -","4","1","","Pannee Leeladee; Guy N. L. Jameson; Maxime A. Siegler; Devesh Kumar; Sam P. de Visser; David P. Goldberg","Generation of a High-Valent Iron Imido Corrolazine Complex and NR Group Transfer Reactivity","Inorganic Chemistry","2013","52","","4668","4682","10.1021/ic400280x","","","0.71073","MoKα","","0.0961","0.0662","","","0.1901","0.2026","","","","","","1.069","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334527","17.2614","0.0008","33.4143","0.0011","19.9714","0.0008","90","","102.61","0.004","90","","11241.2","0.8","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116.69 H123.48 Cl1.77 Fe N7.9 O P -","- C116.688 H123.474 Cl1.768 Fe N7.902 O P -","- C466.752 H493.896 Cl7.072 Fe4 N31.608 O4 P4 -","4","1","","Pannee Leeladee; Guy N. L. Jameson; Maxime A. Siegler; Devesh Kumar; Sam P. de Visser; David P. Goldberg","Generation of a High-Valent Iron Imido Corrolazine Complex and NR Group Transfer Reactivity","Inorganic Chemistry","2013","52","","4668","4682","10.1021/ic400280x","","","0.71073","MoKα","","0.0759","0.0605","","","0.1733","0.1822","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334528","17.2502","0.0002","33.4217","0.0005","19.9821","0.0002","90","","102.712","0.0012","90","","11237.9","0.2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116.75 H123.58 Cl1.81 Fe N7.92 O P -","- C116.751 H123.579 Cl1.81 Fe N7.923 O P -","- C467.004 H494.316 Cl7.24 Fe4 N31.692 O4 P4 -","4","1","","Pannee Leeladee; Guy N. L. Jameson; Maxime A. Siegler; Devesh Kumar; Sam P. de Visser; David P. Goldberg","Generation of a High-Valent Iron Imido Corrolazine Complex and NR Group Transfer Reactivity","Inorganic Chemistry","2013","52","","4668","4682","10.1021/ic400280x","","","0.71073","MoKα","","0.0791","0.0611","","","0.1662","0.175","","","","","","1.073","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334529","27.452","0.002","17.552","0.0014","27.756","0.003","90","","90","","90","","13374","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C64 H67 N Ni P3 S5 Si3 -","- C64 H67 N Ni P3 S5 Si3 -","- C512 H536 N8 Ni8 P24 S40 Si24 -","8","1","","Kuan-Ting Lai; Wei-Chieh Ho; Tzung-Wen Chiou; Wen-Feng Liaw","Formation of [NiIII(κ1-S2CH)(P(o-C6H3-3-SiMe3-2-S)3)]-via CS2 Insertion into Nickel(III) Hydride Containing [NiIII(H)(P(o-C6H3-3-SiMe3-2-S)3)]-","Inorganic Chemistry","2013","52","","4151","4153","10.1021/ic400293k","","","0.71073","MoKα","","0.0512","0.0373","","","0.0938","0.0992","","","","","","1.055","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334530","18.67558","0.00018","13.24963","0.00015","19.20324","0.00019","90","","95.213","0.0009","90","","4732.08","0.08","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H45 N O3 P2 Ru -","- C59 H45 N O3 P2 Ru -","- C236 H180 N4 O12 P8 Ru4 -","4","1","","Saira Naeem; Angela Ribes; Andrew J. P. White; Mohammed N. Haque; Katherine B. Holt; James D. E. T. Wilton-Ely","Multimetallic Complexes and Functionalized Nanoparticles Based on Oxygen- and Nitrogen-Donor Combinations","Inorganic Chemistry","2013","52","","4700","4713","10.1021/ic400335y","","","0.71073","MoKα","","0.0493","0.0342","","","0.0816","0.087","","","","","","1.077","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334531","8.148","0.003","8.299","0.003","11.805","0.004","70.881","0.008","88.966","0.009","79.339","0.009","740.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- Cr Cs N O7.5 U0.5 -","- Cr Cs N O7.5 U0.5 -","- Cr4 Cs4 N4 O30 U2 -","4","2","","Oleg I. Siidra; Evgeny V. Nazarchuk; Anna N. Suknotova; Roman A. Kayukov; Sergey V. Krivovichev","Cr(VI) Trioxide as a Starting Material for the Synthesis of Novel Zero-, One-, and Two-Dimensional Uranyl Dichromates and Chromate-Dichromates","Inorganic Chemistry","2013","52","","4729","4735","10.1021/ic400341q","","","0.71073","MoKα","","0.0303","0.0282","","","0.0707","0.0719","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334532","17.541","0.0018","8.7776","0.0009","17.9493","0.0018","90","","102.973","0.002","90","","2693.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C1.55 Cr0.52 N0.52 O2.19 U0.13 -","- C1.54839 Cr0.516129 N0.516129 O2.19355 U0.129032 -","- C48 Cr16 N16 O68 U4 -","31","7.75","","Oleg I. Siidra; Evgeny V. Nazarchuk; Anna N. Suknotova; Roman A. Kayukov; Sergey V. Krivovichev","Cr(VI) Trioxide as a Starting Material for the Synthesis of Novel Zero-, One-, and Two-Dimensional Uranyl Dichromates and Chromate-Dichromates","Inorganic Chemistry","2013","52","","4729","4735","10.1021/ic400341q","","","0.71073","MoKα","","0.0348","0.0291","","","0.0799","0.0849","","","","","","1.022","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334533","13.236","0.004","13.764","0.004","14.857","0.004","73.88","0.006","88.865","0.007","89.841","0.007","2599.7","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cr12 O52 Rb8 U4 -","- Cr12 O52 Rb8 U4 -","- Cr24 O104 Rb16 U8 -","2","1","","Oleg I. Siidra; Evgeny V. Nazarchuk; Anna N. Suknotova; Roman A. Kayukov; Sergey V. Krivovichev","Cr(VI) Trioxide as a Starting Material for the Synthesis of Novel Zero-, One-, and Two-Dimensional Uranyl Dichromates and Chromate-Dichromates","Inorganic Chemistry","2013","52","","4729","4735","10.1021/ic400341q","","","0.71073","MoKα","","0.1215","0.0715","","","0.1773","0.1919","","","","","","0.963","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334534","6.9964","0.0015","7.8744","0.0017","15.811","0.004","82.387","0.004","83.862","0.004","84.762","0.004","855.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C1.33 Cr N0.67 O4.33 U0.33 -","- C1.33333 Cr1.003 N0.666667 O4.33333 U0.333333 -","- C8 Cr6.018 N4 O26 U2 -","6","3","","Oleg I. Siidra; Evgeny V. Nazarchuk; Anna N. Suknotova; Roman A. Kayukov; Sergey V. Krivovichev","Cr(VI) Trioxide as a Starting Material for the Synthesis of Novel Zero-, One-, and Two-Dimensional Uranyl Dichromates and Chromate-Dichromates","Inorganic Chemistry","2013","52","","4729","4735","10.1021/ic400341q","","","0.71073","MoKα","","0.0931","0.051","","","0.1251","0.1407","","","","","","0.958","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334535","22.0207","0.0007","7.2088","0.0002","31.9884","0.0011","90","","106.706","0.001","90","","4863.6","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C0.89 H0 Cr0.89 N0.44 O4.67 U0.44 -","- C0.888889 Cr0.888889 N0.444444 O4.66667 U0.444444 -","- C32 Cr32 N16 O168 U16 -","36","4.5","","Oleg I. Siidra; Evgeny V. Nazarchuk; Anna N. Suknotova; Roman A. Kayukov; Sergey V. Krivovichev","Cr(VI) Trioxide as a Starting Material for the Synthesis of Novel Zero-, One-, and Two-Dimensional Uranyl Dichromates and Chromate-Dichromates","Inorganic Chemistry","2013","52","","4729","4735","10.1021/ic400341q","","","0.71073","MoKα","","0.0567","0.0525","","","0.1245","0.1263","","","","","","1.372","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334536","23.5965","0.0019","7.0484","0.0006","32.482","0.003","90","","105.758","0.002","90","","5199.3","0.8","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C1.26 Cr0.84 N0.42 O4.42 U0.42 -","- C1.26316 Cr0.842105 N0.421053 O4.42105 U0.421053 -","- C48 Cr32 N16 O168 U16 -","38","9.5","","Oleg I. Siidra; Evgeny V. Nazarchuk; Anna N. Suknotova; Roman A. Kayukov; Sergey V. Krivovichev","Cr(VI) Trioxide as a Starting Material for the Synthesis of Novel Zero-, One-, and Two-Dimensional Uranyl Dichromates and Chromate-Dichromates","Inorganic Chemistry","2013","52","","4729","4735","10.1021/ic400341q","","","0.71073","MoKα","","0.0551","0.0404","","","0.0769","0.0816","","","","","","1.014","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334537","22.3408","0.0016","11.4849","0.0008","9.6579","0.0006","90","","90","","90","","2478","0.3","193","2","193","2","","","","","","","synthesis as described","4","P n a 21","P 2c -2n","33","","","","- C28 H42 B P -","- C28 H42 B P -","- C112 H168 B4 P4 -","4","1","","Sébastien Bontemps; Marc Devillard; Sonia Mallet-Ladeira; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou","Phosphino-Boryl-Naphthalenes: Geometrically Enforced, Yet Lewis Acid Responsive P →B Interactions","Inorganic Chemistry","2013","52","","4714","4720","10.1021/ic4003466","","x-ray","0.71073","MoKα","","0.042","0.0352","","","0.0851","0.0895","","","","","","1.029","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334538","16.923","0.003","11.311","0.0017","14.553","0.002","90","","90","","90","","2785.7","0.8","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H42 B P -","- C34 H42 B P -","- C136 H168 B4 P4 -","4","1","","Sébastien Bontemps; Marc Devillard; Sonia Mallet-Ladeira; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou","Phosphino-Boryl-Naphthalenes: Geometrically Enforced, Yet Lewis Acid Responsive P →B Interactions","Inorganic Chemistry","2013","52","","4714","4720","10.1021/ic4003466","","","0.71073","MoKα","","0.1127","0.0578","","","0.0936","0.1082","","","","","","0.884","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334539","8.2638","0.001","10.8794","0.0013","13.1612","0.0016","107.945","0.007","100.623","0.006","97.096","0.006","1085.6","0.2","193","2","193","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C28 H28 B P -","- C28 H28 B P -","- C56 H56 B2 P2 -","2","1","","Sébastien Bontemps; Marc Devillard; Sonia Mallet-Ladeira; Ghenwa Bouhadir; Karinne Miqueu; Didier Bourissou","Phosphino-Boryl-Naphthalenes: Geometrically Enforced, Yet Lewis Acid Responsive P →B Interactions","Inorganic Chemistry","2013","52","","4714","4720","10.1021/ic4003466","","x-ray","0.71073","MoKα","","0.0498","0.04","","","0.1246","0.1503","","","","","","1.226","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334540","9.522","0.001","11.177","0.001","20.479","0.002","81.98","0.01","89.87","0.01","72.49","0.02","2056.4","0.4","101","2","101","2","","","","","","","","4","P -1","-P 1","2","Integration of bn_km_76","","","- C46 H70 N2 Si -","- C46 H70 N2 Si -","- C92 H140 N4 Si2 -","2","1","","Kartik Chandra Mondal; Prinson P. Samuel; Mykyta Tretiakov; Amit Pratap Singh; Herbert W. Roesky; A. Claudia Stückl; Benedikt Niepötter; Elena Carl; Hilke Wolf; Regine Herbst-Irmer; Dietmar Stalke","Easy Access to Silicon(0) and Silicon(II) Compounds","Inorganic Chemistry","2013","52","","4736","4743","10.1021/ic400357p","","","0.71073","MoKα","","0.0569","0.0421","","","0.1043","0.1119","","","","","","1.019","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334541","13.155","0.002","16.641","0.003","20.634","0.002","90","","93.19","0.02","90","","4510","1.2","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H77 Cl2 N2 Si -","- C49 H77 Cl2 N2 Si -","- C196 H308 Cl8 N8 Si4 -","4","1","","Kartik Chandra Mondal; Prinson P. Samuel; Mykyta Tretiakov; Amit Pratap Singh; Herbert W. Roesky; A. Claudia Stückl; Benedikt Niepötter; Elena Carl; Hilke Wolf; Regine Herbst-Irmer; Dietmar Stalke","Easy Access to Silicon(0) and Silicon(II) Compounds","Inorganic Chemistry","2013","52","","4736","4743","10.1021/ic400357p","","","0.71073","MoKα","","0.0684","0.0402","","","0.0845","0.0943","","","","","","1.007","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334542","13.159","0.001","17.218","0.001","20.494","0.001","90","","94.11","0.02","90","","4631.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H78 Cl2 N2 O Si -","- C50 H78 Cl2 N2 O Si -","- C200 H312 Cl8 N8 O4 Si4 -","4","1","","Kartik Chandra Mondal; Prinson P. Samuel; Mykyta Tretiakov; Amit Pratap Singh; Herbert W. Roesky; A. Claudia Stückl; Benedikt Niepötter; Elena Carl; Hilke Wolf; Regine Herbst-Irmer; Dietmar Stalke","Easy Access to Silicon(0) and Silicon(II) Compounds","Inorganic Chemistry","2013","52","","4736","4743","10.1021/ic400357p","","","0.71073","MoKα","","0.0646","0.0471","","","0.1094","0.1163","","","","","","1.047","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334543","14.163","0.001","14.807","0.001","21.085","0.001","90","","101.26","0.02","90","","4336.7","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H71 N3 -","- C50 H71 N3 -","- C200 H284 N12 -","4","1","","Kartik Chandra Mondal; Prinson P. Samuel; Mykyta Tretiakov; Amit Pratap Singh; Herbert W. Roesky; A. Claudia Stückl; Benedikt Niepötter; Elena Carl; Hilke Wolf; Regine Herbst-Irmer; Dietmar Stalke","Easy Access to Silicon(0) and Silicon(II) Compounds","Inorganic Chemistry","2013","52","","4736","4743","10.1021/ic400357p","","","1.54178","CuKα","","0.0426","0.0412","","","0.1068","0.1081","","","","","","1.027","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334544","13.176","0.003","16.8","0.002","20.681","0.002","90","","93.57","0.02","90","","4569","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H77 Br2 N2 Si -","- C49 H77 Br2 N2 Si -","- C196 H308 Br8 N8 Si4 -","4","1","","Kartik Chandra Mondal; Prinson P. Samuel; Mykyta Tretiakov; Amit Pratap Singh; Herbert W. Roesky; A. Claudia Stückl; Benedikt Niepötter; Elena Carl; Hilke Wolf; Regine Herbst-Irmer; Dietmar Stalke","Easy Access to Silicon(0) and Silicon(II) Compounds","Inorganic Chemistry","2013","52","","4736","4743","10.1021/ic400357p","","","0.71073","MoKα","","0.047","0.0304","","","0.0604","0.0652","","","","","","1.01","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334545","9.163","0.003","4.794","0.003","16.105","0.01","90","","105.35","0.04","90","","682.2","0.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H17 Ag2 N3 O5 S2 -","- C6 H17 Ag2 N3 O5 S2 -","- C12 H34 Ag4 N6 O10 S4 -","2","1","","Bonnie O. Leung; Farideh Jalilehvand; Vicky Mah; Masood Parvez; Qiao Wu","Silver(I) Complex Formation with Cysteine, Penicillamine, and Glutathione","Inorganic Chemistry","2013","52","","4593","4602","10.1021/ic400192c","","","0.71073","MoKα","","0.0379","0.0325","","","0.0753","0.0786","","","","","","1.06","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334546","13.2161","0.0004","14.6236","0.0004","28.4166","0.0007","90","","95.398","0.001","90","","5467.6","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H69 Fe2 N4 P4 -","- C60 H69 Fe2 N4 P4 -","- C240 H276 Fe8 N16 P16 -","4","1","","Subramaniam Kuppuswamy; Tamara M. Powers; Bruce M. Johnson; Mark W. Bezpalko; Carl K. Brozek; Bruce M. Foxman; Louise A. Berben; Christine M. Thomas","Metal-Metal Interactions in C3-Symmetric Diiron Imido Complexes Linked by Phosphinoamide Ligands","Inorganic Chemistry","2013","52","","4802","4811","10.1021/ic302108k","","","0.71073","MoKα","","0.0547","0.0323","","0.0932","0.0738","0.0932","","","","","","0.9998","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334547","16.1581","0.0008","16.1581","0.0008","23.4646","0.0013","90","","90","","120","","5305.5","0.5","120","","120","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C48 H60 Fe2 N3 P4 -","- C48 H60 Fe2 N3 P4 -","- C192 H240 Fe8 N12 P16 -","4","0.333333","","Subramaniam Kuppuswamy; Tamara M. Powers; Bruce M. Johnson; Mark W. Bezpalko; Carl K. Brozek; Bruce M. Foxman; Louise A. Berben; Christine M. Thomas","Metal-Metal Interactions in C3-Symmetric Diiron Imido Complexes Linked by Phosphinoamide Ligands","Inorganic Chemistry","2013","52","","4802","4811","10.1021/ic302108k","","","0.71073","MoKα","","0.0468","0.0277","","0.0773","0.0648","0.0773","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334548","19.098","0.002","21.111","0.003","11.5956","0.0015","90","","90","","90","","4675.1","1","120","","120","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C49 H60 Fe2 N4 P3 -","- C49 H60 Fe2 N4 P3 -","- C196 H240 Fe8 N16 P12 -","4","1","","Subramaniam Kuppuswamy; Tamara M. Powers; Bruce M. Johnson; Mark W. Bezpalko; Carl K. Brozek; Bruce M. Foxman; Louise A. Berben; Christine M. Thomas","Metal-Metal Interactions in C3-Symmetric Diiron Imido Complexes Linked by Phosphinoamide Ligands","Inorganic Chemistry","2013","52","","4802","4811","10.1021/ic302108k","","","0.71073","MoKα","","0.0269","0.0235","","0.0564","0.0536","0.0564","","","","","","0.9913","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334549","11.4641","0.0006","20.213","0.001","21.6833","0.0011","90","","92.914","0.002","90","","5018","0.4","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H66 Fe2 N4 P3 -","- C55 H66 Fe2 N4 P3 -","- C220 H264 Fe8 N16 P12 -","4","1","","Subramaniam Kuppuswamy; Tamara M. Powers; Bruce M. Johnson; Mark W. Bezpalko; Carl K. Brozek; Bruce M. Foxman; Louise A. Berben; Christine M. Thomas","Metal-Metal Interactions in C3-Symmetric Diiron Imido Complexes Linked by Phosphinoamide Ligands","Inorganic Chemistry","2013","52","","4802","4811","10.1021/ic302108k","","","0.71073","MoKα","","0.052","0.0326","","0.0801","0.0722","0.0801","","","","","","0.9523","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334550","15.576","0.0009","18.7595","0.0009","17.0026","0.0009","90","","91.353","0.003","90","","4966.7","0.5","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H62 Fe2 N4 P3 -","- C54 H62 Fe2 N4 P3 -","- C216 H248 Fe8 N16 P12 -","4","1","","Subramaniam Kuppuswamy; Tamara M. Powers; Bruce M. Johnson; Mark W. Bezpalko; Carl K. Brozek; Bruce M. Foxman; Louise A. Berben; Christine M. Thomas","Metal-Metal Interactions in C3-Symmetric Diiron Imido Complexes Linked by Phosphinoamide Ligands","Inorganic Chemistry","2013","52","","4802","4811","10.1021/ic302108k","","","0.71073","MoKα","","0.0832","0.0453","","0.0898","0.0802","0.0898","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334551","18.2954","0.0003","18.2954","0.0003","18.2954","0.0003","90","","90","","90","","6123.87","0.17","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au2.098 Cr6.902 Zn91.306 -","- Au2.1 Cr6.9 Zn91.322 -","- Au8.4 Cr27.6 Zn365.288 -","4","0.0416667","","Partha Pratim Jana; Ryan Henderson; Bernd Harbrecht; Sven Lidin","Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases","Inorganic Chemistry","2013","52","","4812","4818","10.1021/ic302244e","","","0.7107","MoKα","","0.0564","0.0556","","","0.1325","0.1325","","","","4.48","4.48","4.42","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4334552","18.288","0.002","18.288","0.002","18.288","0.002","90","","90","","90","","6116.4","1.2","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au2.63 Cr6.36 Zn91.68 -","- Au2.636 Cr6.364 Zn91.72 -","- Au10.544 Cr25.456 Zn366.88 -","4","0.0416667","","Partha Pratim Jana; Ryan Henderson; Bernd Harbrecht; Sven Lidin","Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases","Inorganic Chemistry","2013","52","","4812","4818","10.1021/ic302244e","","","0.71073","MoKα","","0.057","0.0518","","","0.1431","0.15","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334553","18.2962","0.0006","18.2962","0.0006","18.2962","0.0006","90","","90","","90","","6124.7","0.3","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au2.76 Cr6.24 Zn91.67 -","- Au2.764 Cr6.236 Zn91.664 -","- Au11.056 Cr24.944 Zn366.656 -","4","0.0416667","","Partha Pratim Jana; Ryan Henderson; Bernd Harbrecht; Sven Lidin","Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases","Inorganic Chemistry","2013","52","","4812","4818","10.1021/ic302244e","","","0.71073","MoKα","","0.0427","0.0411","","","0.0812","0.0821","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334554","18.314","0.002","18.314","0.002","18.314","0.002","90","","90","","90","","6142.6","1.2","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au3.26 Cr5.74 Zn91.57 -","- Au3.26 Cr5.74 Zn91.598 -","- Au13.04 Cr22.96 Zn366.392 -","4","0.0416667","","Partha Pratim Jana; Ryan Henderson; Bernd Harbrecht; Sven Lidin","Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases","Inorganic Chemistry","2013","52","","4812","4818","10.1021/ic302244e","","","0.71073","MoKα","","0.0451","0.0418","","","0.1062","0.1082","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334555","18.328","0.001","18.328","0.001","18.328","0.001","90","","90","","90","","6156.7","0.6","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au3.79 Cr5.37 Zn91.75 -","- Au3.794 Cr5.368 Zn91.74 -","- Au15.176 Cr21.472 Zn366.96 -","4","0.0416667","","Partha Pratim Jana; Ryan Henderson; Bernd Harbrecht; Sven Lidin","Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases","Inorganic Chemistry","2013","52","","4812","4818","10.1021/ic302244e","","","0.71073","MoKα","","0.0525","0.0494","","","0.1253","0.1287","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334556","18.325","0.002","18.325","0.002","18.325","0.002","90","","90","","90","","6153.6","1.2","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au3.8 Cr5.32 Zn91.75 -","- Au3.794 Cr5.32 Zn91.748 -","- Au15.176 Cr21.28 Zn366.992 -","4","0.0416667","","Partha Pratim Jana; Ryan Henderson; Bernd Harbrecht; Sven Lidin","Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases","Inorganic Chemistry","2013","52","","4812","4818","10.1021/ic302244e","","","0.71073","MoKα","","0.0557","0.0515","","","0.1339","0.1377","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334557","18.3591","0.0009","18.3591","0.0009","18.3591","0.0009","90","","90","","90","","6188.1","0.5","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au4.59 Cr4.85 Zn91.33 -","- Au4.558 Cr4.89 Zn91.714 -","- Au18.232 Cr19.56 Zn366.856 -","4","0.0416667","","Partha Pratim Jana; Ryan Henderson; Bernd Harbrecht; Sven Lidin","Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases","Inorganic Chemistry","2013","52","","4812","4818","10.1021/ic302244e","","","0.71073","MoKα","","0.0525","0.0387","","","0.0837","0.0882","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334558","18.3653","0.0007","18.3653","0.0007","18.3653","0.0007","90","","90","","90","","6194.3","0.4","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au5.15 Cr4.73 Zn91.93 -","- Au5.158 Cr4.74 Zn91.938 -","- Au20.632 Cr18.96 Zn367.752 -","4","0.0416667","","Partha Pratim Jana; Ryan Henderson; Bernd Harbrecht; Sven Lidin","Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases","Inorganic Chemistry","2013","52","","4812","4818","10.1021/ic302244e","","","0.71073","MoKα","","0.0282","0.0273","","","0.0535","0.0538","","","","","","1.126","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334559","18.386","0.0001","18.386","0.0001","18.386","0.0001","90","","90","","90","","6215.3","0.06","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au5.62 Cr4.57 Zn92.25 -","- Au5.62 Cr4.57 Zn92.294 -","- Au22.48 Cr18.28 Zn369.176 -","4","0.0416667","","Partha Pratim Jana; Ryan Henderson; Bernd Harbrecht; Sven Lidin","Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases","Inorganic Chemistry","2013","52","","4812","4818","10.1021/ic302244e","","","0.71073","MoKα","","0.0591","0.0509","","","0.1331","0.1395","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334560","18.39","0.001","18.39","0.001","18.39","0.001","90","","90","","90","","6219.4","0.6","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au6.19 Cr4.5 Zn91.19 -","- Au6.184 Cr4.5 Zn91.2 -","- Au24.736 Cr18 Zn364.8 -","4","0.0416667","","Partha Pratim Jana; Ryan Henderson; Bernd Harbrecht; Sven Lidin","Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases","Inorganic Chemistry","2013","52","","4812","4818","10.1021/ic302244e","","","0.71073","MoKα","","0.0358","0.0322","","","0.0762","0.0782","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334561","18.412","0.002","18.412","0.002","18.412","0.002","90","","90","","90","","6241.7","1.2","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au7.69 Cr4.3 Zn91.03 -","- Au7.672 Cr4.28 Zn90.44 -","- Au30.688 Cr17.12 Zn361.76 -","4","0.0416667","","Partha Pratim Jana; Ryan Henderson; Bernd Harbrecht; Sven Lidin","Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases","Inorganic Chemistry","2013","52","","4812","4818","10.1021/ic302244e","","","0.71073","MoKα","","0.0714","0.0451","","","0.1048","0.1181","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334562","18.413","0.002","18.413","0.002","18.413","0.002","90","","90","","90","","6242.7","1.2","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au7.88 Cr4.29 Zn90.42 -","- Au7.876 Cr4.3 Zn90.36 -","- Au31.504 Cr17.2 Zn361.44 -","4","0.0416667","","Partha Pratim Jana; Ryan Henderson; Bernd Harbrecht; Sven Lidin","Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases","Inorganic Chemistry","2013","52","","4812","4818","10.1021/ic302244e","","","0.71073","MoKα","","0.0608","0.0507","","","0.1346","0.1416","","","","","","1.099","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334563","18.4298","0.0007","18.4298","0.0007","18.4298","0.0007","90","","90","","90","","6259.8","0.4","293","2","293","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au10 Cr4 Zn89 -","- Au10 Cr4 Zn89 -","- Au40 Cr16 Zn356 -","4","0.0416667","","Partha Pratim Jana; Ryan Henderson; Bernd Harbrecht; Sven Lidin","Site Preference and Ordering Induced by Au Substitution in the γ-Brass Related Complex Au-Cr-Zn Phases","Inorganic Chemistry","2013","52","","4812","4818","10.1021/ic302244e","","","0.71073","MoKα","","0.0323","0.0279","","","0.0743","0.0744","","","","","","1.194","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334564","12.1925","0.0018","10.6948","0.0016","19.807","0.003","90","","105.909","0.002","90","","2483.8","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 Cl2 In2 N4 O12 P4 -","- C40 H56 Cl2 In2 N4 O12 P4 -","- C80 H112 Cl4 In4 N8 O24 P8 -","2","0.5","","Vadapalli Chandrasekhar; Joydeb Goura; Andrew Duthie","Molecular Indium(III) Phosphonates Possessing Ring and Cage Structures. Synthesis and Structural Characterization of [In2(t-BuPO3H)4(phen)2Cl2] and [In3(C5H9PO3)2(C5H9PO3H)4(phen)3].NO3.3.5H2O","Inorganic Chemistry","2013","52","","4819","4824","10.1021/ic3022485","","","0.71073","MoKα","","0.0616","0.0421","","","0.1002","0.1341","","","","","","1.145","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334565","17.854","0.005","40.106","0.005","21.363","0.005","90","0.005","94.303","0.005","90","0.005","15254","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H89 In3 N7 O24.5 P6 -","- C66 H89 In3 N7 O24.5 P6 -","- C528 H712 In24 N56 O196 P48 -","8","2","","Vadapalli Chandrasekhar; Joydeb Goura; Andrew Duthie","Molecular Indium(III) Phosphonates Possessing Ring and Cage Structures. Synthesis and Structural Characterization of [In2(t-BuPO3H)4(phen)2Cl2] and [In3(C5H9PO3)2(C5H9PO3H)4(phen)3].NO3.3.5H2O","Inorganic Chemistry","2013","52","","4819","4824","10.1021/ic3022485","","","0.71069","MoKα","","0.1735","0.088","","","0.1993","0.252","","","","","","1.011","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334566","9.8785","0.0012","18.663","0.002","12.5431","0.0016","90","","107.545","0.002","90","","2204.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 Ni O5 -","- C23 H28 N2 Ni O5 -","- C92 H112 N8 Ni4 O20 -","4","1","","Anuj Kumar Sharma; Francesc Lloret; Rabindranath Mukherjee","Phenolate- and Acetate (Both μ2-1,1 and μ2-1,3 Modes)-Bridged Linear CoII3 and CoII2MnII Trimers: Magnetostructural Studies","Inorganic Chemistry","2013","52","","4825","4833","10.1021/ic302259t","","","0.71073","MoKα","","0.1713","0.0785","","","0.1752","0.242","","","","","","0.992","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334567","9.453","0.005","11.049","0.005","13.381","0.005","80.237","0.005","82.414","0.005","86.047","0.005","1363.7","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H76 Co3 N4 O18 -","- C46 H76 Co3 N4 O18 -","- C46 H76 Co3 N4 O18 -","1","0.5","","Anuj Kumar Sharma; Francesc Lloret; Rabindranath Mukherjee","Phenolate- and Acetate (Both μ2-1,1 and μ2-1,3 Modes)-Bridged Linear CoII3 and CoII2MnII Trimers: Magnetostructural Studies","Inorganic Chemistry","2013","52","","4825","4833","10.1021/ic302259t","","","0.71069","MoKα","","0.056","0.0464","","","0.1262","0.1321","","","","","","1.044","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334568","9.454","0.005","11.068","0.005","13.418","0.005","79.839","0.005","82.283","0.005","85.919","0.005","1367.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H60 Co2 Mn N4 O18 -","- C46 H64 Co2 Mn N4 O18 -","- C46 H64 Co2 Mn N4 O18 -","1","0.5","","Anuj Kumar Sharma; Francesc Lloret; Rabindranath Mukherjee","Phenolate- and Acetate (Both μ2-1,1 and μ2-1,3 Modes)-Bridged Linear CoII3 and CoII2MnII Trimers: Magnetostructural Studies","Inorganic Chemistry","2013","52","","4825","4833","10.1021/ic302259t","","","0.71069","MoKα","","0.0754","0.0537","","","0.1169","0.1627","","","","","","1.166","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334569","9.468","0.005","10.98","0.005","13.28","0.005","80.237","0.005","82.486","0.005","86.234","0.005","1347.6","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H68 N4 Ni3 O18 -","- C46 H68 N4 Ni3 O18 -","- C46 H68 N4 Ni3 O18 -","1","0.5","","Anuj Kumar Sharma; Francesc Lloret; Rabindranath Mukherjee","Phenolate- and Acetate (Both μ2-1,1 and μ2-1,3 Modes)-Bridged Linear CoII3 and CoII2MnII Trimers: Magnetostructural Studies","Inorganic Chemistry","2013","52","","4825","4833","10.1021/ic302259t","","","0.71069","MoKα","","0.0822","0.0573","","","0.1407","0.1511","","","","","","0.975","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334570","10.3362","0.0009","18.2471","0.0016","12.2056","0.0011","90","","113.853","0.002","90","","2105.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Mn N4 Ni2 O12 -","- C38 H46 Mn N4 Ni2 O12 -","- C76 H92 Mn2 N8 Ni4 O24 -","2","0.5","","Anuj Kumar Sharma; Francesc Lloret; Rabindranath Mukherjee","Phenolate- and Acetate (Both μ2-1,1 and μ2-1,3 Modes)-Bridged Linear CoII3 and CoII2MnII Trimers: Magnetostructural Studies","Inorganic Chemistry","2013","52","","4825","4833","10.1021/ic302259t","","","0.71073","MoKα","","0.1477","0.0829","","","0.1687","0.2034","","","","","","1.058","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334571","9.4765","0.001","10.9764","0.0011","13.3235","0.0014","80.14","0.002","82.215","0.002","86.197","0.002","1351.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H70 Co N4 Ni2 O18 -","- C46 H70 Co N4 Ni2 O18 -","- C46 H70 Co N4 Ni2 O18 -","1","0.5","","Anuj Kumar Sharma; Francesc Lloret; Rabindranath Mukherjee","Phenolate- and Acetate (Both μ2-1,1 and μ2-1,3 Modes)-Bridged Linear CoII3 and CoII2MnII Trimers: Magnetostructural Studies","Inorganic Chemistry","2013","52","","4825","4833","10.1021/ic302259t","","","0.71073","MoKα","","0.1016","0.0735","","","0.1471","0.1946","","","","","","1.105","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334572","16.106","0.007","15.435","0.007","13.475","0.006","90","","106.184","0.006","90","","3217","2","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 N8 Pb Pt S4 -","- C28 H16 N8 Pb Pt S4 -","- C112 H64 N32 Pb4 Pt4 S16 -","4","0.5","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.0714","0.0473","","","0.0908","0.0967","","","","","","1.062","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334573","16.613","0.006","11.492","0.004","17.209","0.006","90","","118.188","0.005","90","","2895.8","1.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Co N8 O Pt S4 -","- C25 H20 Co N8 O Pt S4 -","- C100 H80 Co4 N32 O4 Pt4 S16 -","4","1","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.1141","0.0726","","","0.1375","0.1492","","","","","","1.088","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334574","16.597","0.003","11.502","0.002","16.941","0.003","90","","116.685","0.002","90","","2889.6","0.9","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Cu2 N16 O2 Pt2 S8 -","- C50 H40 Cu2 N16 O2 Pt2 S8 -","- C100 H80 Cu4 N32 O4 Pt4 S16 -","2","0.5","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.0626","0.0481","","0.0748","0.0648","0.0628","","","","","","1.1927","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334575","9.0049","0.0013","11.9725","0.0017","12.691","0.0018","68.519","0.002","87.54","0.002","70.532","0.002","1195.5","0.3","173","","173","","","","","","","","","6","P 1","P 1","1","","","","- C46 H32 Cu2 N14 Pt S6 -","- C46 H32 Cu2 N14 Pt S6 -","- C46 H32 Cu2 N14 Pt S6 -","1","1","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.0317","0.0274","","","0.0602","0.062","","","","","","1.035","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334576","11.8764","0.0018","11.4014","0.0018","14.242","0.002","90","","110.453","0.002","90","","1806.9","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 Cu N8 Pt S4 -","- C8 H16 Cu N8 Pt S4 -","- C32 H64 Cu4 N32 Pt4 S16 -","4","1","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.0402","0.0261","","0.0321","0.0265","0.0258","","","","","","1.3251","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334577","6.6261","0.001","8.305","0.0013","8.7992","0.0013","112.903","0.001","98.406","0.001","94.745","0.002","436.04","0.11","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H24 Cu N8 Pt S4 -","- C8 H16 Cu N8 Pt S4 -","- C8 H16 Cu N8 Pt S4 -","1","0.5","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.0135","0.0135","","0.0223","0.0223","0.0223","","","","","","1.6769","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334578","7.1053","0.0014","7.8223","0.0016","9.423","0.003","109.979","0.003","101.138","0.003","103.475","0.002","456.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 Cu N8 Pt Se4 -","- C8 H16 Cu N8 Pt Se4 -","- C8 H16 Cu N8 Pt Se4 -","1","0.5","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.023","0.0221","","0.0304","0.0299","0.0296","","","","","","0.9936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334579","11.7946","0.0018","11.3401","0.0018","14.311","0.002","90","","111.943","0.002","90","","1775.5","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H16 N8 Ni Pt S4 -","- C8 H16 N8 Ni Pt S4 -","- C32 H64 N32 Ni4 Pt4 S16 -","4","1","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.028","0.025","","0.0367","0.0328","0.0323","","","","","","1.1182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334580","9.9635","0.0016","13.508","0.002","16.235","0.003","90","","90.776","0.002","90","","2184.8","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Mn N7 Pt S4 -","- C19 H11 Mn N7 Pt S4 -","- C76 H44 Mn4 N28 Pt4 S16 -","4","1","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.0295","0.0254","","0.0366","0.0344","0.0338","","","","","","1.2249","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334581","19.387","0.004","8.4368","0.0019","23.52","0.005","90","","112.315","0.005","90","","3558.9","1.3","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22.67 H14.67 Mn0.67 N6.67 Pt0.67 S2.67 -","- C22.6667 H14.6667 Mn0.666667 N6.66667 Pt0.666667 S2.66667 -","- C136 H88 Mn4 N40 Pt4 S16 -","6","1.5","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.0736","0.0357","","0.0929","0.0498","0.0474","","","","","","1.2109","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334582","9.3569","0.0017","14.609","0.003","16.563","0.003","90","","90","","90","","2264.1","0.7","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H11 Co N7 Pt S4 -","- C19 H11 Co N7 Pt S4 -","- C76 H44 Co4 N28 Pt4 S16 -","4","1","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.0604","0.0471","","","0.0853","0.089","","","","","","1.048","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334583","8.1693","0.0017","10.479","0.002","10.576","0.002","90","","91.237","0.002","90","","905.2","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H16 Cu N6 Pt S4 -","- C10 H16 Cu N6 Pt S4 -","- C20 H32 Cu2 N12 Pt2 S8 -","2","1","","Masayuki Kobayashi; Didier Savard; Andrew R. Geisheimer; Ken Sakai; Daniel B. Leznoff","Heterobimetallic Coordination Polymers Based on the [Pt(SCN)4]2- and [Pt(SeCN)4]2- Building Blocks","Inorganic Chemistry","2013","52","","4842","4852","10.1021/ic302360b","","","0.71073","MoKα","","0.0303","0.0271","","0.0311","0.0302","0.0301","","","","","","0.9699","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334584","11.513327","0.000035","10.221145","0.000031","9.42511","0.000029","90","","90","","90","","1109.14","0.006","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","","BaFe9LiO15","- Ba Fe9 Li O15 -","- Ba Fe8.6168 Li1.3832 O15 -","- Ba4 Fe34.4672 Li5.5328 O60 -","4","","","Tao Yang; Aziz Daoud-Aladine; Michael F. Thomas; John B. Claridge; Matthew J. Rosseinsky","BaFe9LiO15: A New Layered Antiferromagnetic Ferrite","Inorganic Chemistry","2013","52","","4866","4872","10.1021/ic302433a","","","","","","","","","","","","","","","","","","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334585","12.5628","0.0005","17.2112","0.0009","17.4593","0.0007","60.847","0.005","76.857","0.004","71.887","0.004","3120.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C116 H130 Cl8 N24 O35 Zn4 -","- C116 H130 Cl8 N24 O35 Zn4 -","- C116 H130 Cl8 N24 O35 Zn4 -","1","0.5","","Mei Zhang; Wen-Juan Ma; Chun-Ting He; Long Jiang; Tong-Bu Lu","Highly Selective Recognition and Fluorescence Imaging of Adenosine Polyphosphates in Aqueous Solution","Inorganic Chemistry","2013","52","","4873","4879","10.1021/ic302435g","","","1.54184","CuKα","","0.0458","0.0394","","","0.1012","0.1075","","","","","","1.027","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334586","10.6866","0.0004","17.8276","0.0009","19.8301","0.0008","67.193","0.004","81.538","0.003","82.204","0.004","3431.8","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H81 N10 O26 P2 Zn2 -","- C54 H62 N10 O26 P2 Zn2 -","- C108 H124 N20 O52 P4 Zn4 -","2","1","","Mei Zhang; Wen-Juan Ma; Chun-Ting He; Long Jiang; Tong-Bu Lu","Highly Selective Recognition and Fluorescence Imaging of Adenosine Polyphosphates in Aqueous Solution","Inorganic Chemistry","2013","52","","4873","4879","10.1021/ic302435g","","","1.54178","CuKα","","0.0739","0.0568","","","0.1519","0.1673","","","","","","1.037","","","","has coordinates,has disorder","179448","2020-10-21","18:00:00",""
"4334587","7.506","0.0002","10.203","0.0003","11.679","0.0004","90","","96.528","0.001","90","","888.62","0.05","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Fe2 S0 -","- C24 H18 Fe2 -","- C48 H36 Fe4 -","2","0.5","","Hakikulla H. Shah; Rayya A. Al-Balushi; Mohammed K. Al-Suti; Muhammad S. Khan; Christopher H. Woodall; Kieran C. Molloy; Paul R. Raithby; Thomas P. Robinson; Sara E. C. Dale; Frank Marken","Long-Range Intramolecular Electronic Communication in Bis(ferrocenylethynyl) Complexes Incorporating Conjugated Heterocyclic Spacers: Synthesis, Crystallography, and Electrochemistry","Inorganic Chemistry","2013","52","","4898","4908","10.1021/ic3024887","","","0.71073","MoKα","","0.0404","0.0261","","","0.0615","0.0668","","","","","","1.067","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334588","30.6586","0.0003","9.8566","0.0001","21.6227","0.0003","90","","134.389","0.001","90","","4669.35","0.12","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","h03prr25","","","- C30 H20 Fe2 N2 S -","- C30 H20 Fe2 N2 S -","- C240 H160 Fe16 N16 S8 -","8","1","","Hakikulla H. Shah; Rayya A. Al-Balushi; Mohammed K. Al-Suti; Muhammad S. Khan; Christopher H. Woodall; Kieran C. Molloy; Paul R. Raithby; Thomas P. Robinson; Sara E. C. Dale; Frank Marken","Long-Range Intramolecular Electronic Communication in Bis(ferrocenylethynyl) Complexes Incorporating Conjugated Heterocyclic Spacers: Synthesis, Crystallography, and Electrochemistry","Inorganic Chemistry","2013","52","","4898","4908","10.1021/ic3024887","","","0.71073","MoKα","","0.0452","0.0368","","","0.104","0.1092","","","","","","1.155","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334589","7.6536","0.0005","12.7415","0.0007","16.5787","0.0011","100.757","0.005","97.36","0.006","92.718","0.005","1571","0.17","149.8","0.6","149.8","0.6","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Fe2 N2 S -","- C42 H28 Fe2 N2 S -","- C84 H56 Fe4 N4 S2 -","2","1","","Hakikulla H. Shah; Rayya A. Al-Balushi; Mohammed K. Al-Suti; Muhammad S. Khan; Christopher H. Woodall; Kieran C. Molloy; Paul R. Raithby; Thomas P. Robinson; Sara E. C. Dale; Frank Marken","Long-Range Intramolecular Electronic Communication in Bis(ferrocenylethynyl) Complexes Incorporating Conjugated Heterocyclic Spacers: Synthesis, Crystallography, and Electrochemistry","Inorganic Chemistry","2013","52","","4898","4908","10.1021/ic3024887","","","0.7107","MoKα","","0.0888","0.0537","","","0.1021","0.1178","","","","","","0.981","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334590","7.4305","0.0005","13.2951","0.0006","16.4962","0.001","82.729","0.004","85.045","0.005","80.538","0.005","1590.97","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 F2 Fe2 N2 S -","- C42 H26 F2 Fe2 N2 S -","- C84 H52 F4 Fe4 N4 S2 -","2","1","","Hakikulla H. Shah; Rayya A. Al-Balushi; Mohammed K. Al-Suti; Muhammad S. Khan; Christopher H. Woodall; Kieran C. Molloy; Paul R. Raithby; Thomas P. Robinson; Sara E. C. Dale; Frank Marken","Long-Range Intramolecular Electronic Communication in Bis(ferrocenylethynyl) Complexes Incorporating Conjugated Heterocyclic Spacers: Synthesis, Crystallography, and Electrochemistry","Inorganic Chemistry","2013","52","","4898","4908","10.1021/ic3024887","","","0.71073","MoKα","","0.0777","0.0615","","","0.1641","0.1781","","","","","","1.102","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334591","7.867","0.005","10","0.005","11.548","0.005","77.054","0.005","86.042","0.005","87.945","0.005","883.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H11 Br Fe S3 -","- C20 H11 Br Fe S3 -","- C40 H22 Br2 Fe2 S6 -","2","1","","Hakikulla H. Shah; Rayya A. Al-Balushi; Mohammed K. Al-Suti; Muhammad S. Khan; Christopher H. Woodall; Kieran C. Molloy; Paul R. Raithby; Thomas P. Robinson; Sara E. C. Dale; Frank Marken","Long-Range Intramolecular Electronic Communication in Bis(ferrocenylethynyl) Complexes Incorporating Conjugated Heterocyclic Spacers: Synthesis, Crystallography, and Electrochemistry","Inorganic Chemistry","2013","52","","4898","4908","10.1021/ic3024887","","","0.71073","MoKα","","0.0686","0.0422","","","0.0929","0.1043","","","","","","1.024","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334592","4.0107","0.0008","3.838","0.0008","14.458","0.003","90","","97.97","0.03","90","","220.4","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Mn0.67 Si7.55 Yb4 -","- Mn0.674 Si7.554 Yb4 -","- Mn0.674 Si7.554 Yb4 -","1","0.5","","Sebastian C. Peter; Christos D. Malliakas; Mercouri G. Kanatzidis","Structure and Unusual Magnetic Properties of YbMn0.17Si1.88","Inorganic Chemistry","2013","52","","4909","4915","10.1021/ic3024925","","","0.71073","MoKα","","0.0337","0.0296","","","0.072","0.0742","","","","","","1.143","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334593","15.5459","0.0009","11.1607","0.0007","23.5153","0.0013","90","","106.391","0.001","90","","3914.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Ir N3 O2 P2 -","- C46 H36 Ir N3 O2 P2 -","- C184 H144 Ir4 N12 O8 P8 -","4","1","","Qiu-Lei Xu; Cheng-Cheng Wang; Tian-Yi Li; Ming-Yu Teng; Song Zhang; Yi-Ming Jing; Xu Yang; Wei-Nan Li; Chen Lin; You-Xuan Zheng; Jing-Lin Zuo; Xiao-Zeng You","Syntheses, Photoluminescence, and Electroluminescence of a Series of Iridium Complexes with Trifluoromethyl-Substituted 2-Phenylpyridine as the Main Ligands and Tetraphenylimidodiphosphinate as the Ancillary Ligand","Inorganic Chemistry","2013","52","","4916","4925","10.1021/ic302510p","","","0.71073","MoKα","","0.0541","0.0323","","","0.0613","0.0659","","","","","","0.976","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334594","9.7148","0.0014","20.775","0.003","20.991","0.003","90","","102.074","0.002","90","","4142.8","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 F6 Ir N3 O2 P2 -","- C48 H34 F6 Ir N3 O2 P2 -","- C192 H136 F24 Ir4 N12 O8 P8 -","4","1","","Qiu-Lei Xu; Cheng-Cheng Wang; Tian-Yi Li; Ming-Yu Teng; Song Zhang; Yi-Ming Jing; Xu Yang; Wei-Nan Li; Chen Lin; You-Xuan Zheng; Jing-Lin Zuo; Xiao-Zeng You","Syntheses, Photoluminescence, and Electroluminescence of a Series of Iridium Complexes with Trifluoromethyl-Substituted 2-Phenylpyridine as the Main Ligands and Tetraphenylimidodiphosphinate as the Ancillary Ligand","Inorganic Chemistry","2013","52","","4916","4925","10.1021/ic302510p","","","0.71073","MoKα","","0.0289","0.0235","","","0.0523","0.0536","","","","","","1.044","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334595","41.6691","0.0012","15.2305","0.0007","23.392","0.001","90","","113.056","0.002","90","","13659.7","1","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C288 H206 F36 Ir6 N18 O13 P12 -","- C288 H206 F36 Ir6 N18 O13 P12 -","- C576 H412 F72 Ir12 N36 O26 P24 -","2","0.25","","Qiu-Lei Xu; Cheng-Cheng Wang; Tian-Yi Li; Ming-Yu Teng; Song Zhang; Yi-Ming Jing; Xu Yang; Wei-Nan Li; Chen Lin; You-Xuan Zheng; Jing-Lin Zuo; Xiao-Zeng You","Syntheses, Photoluminescence, and Electroluminescence of a Series of Iridium Complexes with Trifluoromethyl-Substituted 2-Phenylpyridine as the Main Ligands and Tetraphenylimidodiphosphinate as the Ancillary Ligand","Inorganic Chemistry","2013","52","","4916","4925","10.1021/ic302510p","","","0.71073","MoKα","","0.0693","0.0478","","","0.0998","0.1049","","","","","","1.018","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334596","10.7141","0.0003","11.7373","0.0004","18.7457","0.0006","79.904","0.001","84.43","0.001","87.982","0.001","2309.5","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H32 F12 Ir N3 O2 P2 -","- C50 H32 F12 Ir N3 O2 P2 -","- C100 H64 F24 Ir2 N6 O4 P4 -","2","1","","Qiu-Lei Xu; Cheng-Cheng Wang; Tian-Yi Li; Ming-Yu Teng; Song Zhang; Yi-Ming Jing; Xu Yang; Wei-Nan Li; Chen Lin; You-Xuan Zheng; Jing-Lin Zuo; Xiao-Zeng You","Syntheses, Photoluminescence, and Electroluminescence of a Series of Iridium Complexes with Trifluoromethyl-Substituted 2-Phenylpyridine as the Main Ligands and Tetraphenylimidodiphosphinate as the Ancillary Ligand","Inorganic Chemistry","2013","52","","4916","4925","10.1021/ic302510p","","","0.71073","MoKα","","0.0571","0.0555","","","0.149","0.1505","","","","","","1.08","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334597","10.9585","0.0005","17.7561","0.0009","24.2144","0.0012","90","","93.633","0.001","90","","4702.2","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 F12 Ir N3 O2 P2 S0 -","- C50 H32 F12 Ir N3 O2 P2 -","- C200 H128 F48 Ir4 N12 O8 P8 -","4","1","","Qiu-Lei Xu; Cheng-Cheng Wang; Tian-Yi Li; Ming-Yu Teng; Song Zhang; Yi-Ming Jing; Xu Yang; Wei-Nan Li; Chen Lin; You-Xuan Zheng; Jing-Lin Zuo; Xiao-Zeng You","Syntheses, Photoluminescence, and Electroluminescence of a Series of Iridium Complexes with Trifluoromethyl-Substituted 2-Phenylpyridine as the Main Ligands and Tetraphenylimidodiphosphinate as the Ancillary Ligand","Inorganic Chemistry","2013","52","","4916","4925","10.1021/ic302510p","","","0.71073","MoKα","","0.0508","0.0455","","","0.1413","0.1458","","","","","","1.008","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334598","6.4660335","","6.4648","","6.191681","","107.874","","108.38","","92.7143","","230.767","","293","","293","","","","","","","","","3","P -1","-P 1","2","GdBO3","","","- B Gd O3 -","- B Gd O3 -","- B4 Gd4 O12 -","4","2","","Agata Szczeszak; Tomasz Grzyb; Bolesław Barszcz; Vitali Nagirnyi; Aleksei Kotlov; Stefan Lis","Hydrothermal Synthesis and Structural and Spectroscopic Properties of the New Triclinic Form of GdBO3:Eu3+ Nanocrystals","Inorganic Chemistry","2013","52","","4934","4940","10.1021/ic302525k","","","1.54187","CuKα","","0.0224382","","","0.0337165","","","","","0.0129173","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334599","8.3411","0.0007","14.1061","0.0012","16.1443","0.0014","66.951","0.003","88.436","0.003","87.007","0.003","1745.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 Co O7 Pt S4 -","- C8 H18 Co O7 Pt S4 -","- C32 H72 Co4 O28 Pt4 S16 -","4","2","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Heterobimetallic Lantern Complexes That Couple Antiferromagnetically through Noncovalent Pt...Pt Interactions","Inorganic Chemistry","2013","52","","4926","4933","10.1021/ic302531t","","","0.71073","MoKα","","0.0272","0.0214","","","0.0489","0.0519","","","","","","1.006","","","","has coordinates","179448","2020-10-21","18:00:00",""
"4334600","8.2929","0.0006","14.0255","0.001","16.0661","0.0012","66.751","0.002","88.46","0.002","87.302","0.002","1715","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 Ni O7 Pt S4 -","- C8 H18 Ni O7 Pt S4 -","- C32 H72 Ni4 O28 Pt4 S16 -","4","2","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Heterobimetallic Lantern Complexes That Couple Antiferromagnetically through Noncovalent Pt...Pt Interactions","Inorganic Chemistry","2013","52","","4926","4933","10.1021/ic302531t","","","0.71073","MoKα","","0.0771","0.0581","","","0.1694","0.183","","","","","","1.133","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334601","8.3518","0.0005","14.0884","0.0008","16.1051","0.0009","66.929","0.002","88.434","0.002","86.826","0.002","1740.71","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 O7 Pt S4 Zn -","- C8 H18 O7 Pt S4 Zn -","- C32 H72 O28 Pt4 S16 Zn4 -","4","2","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Heterobimetallic Lantern Complexes That Couple Antiferromagnetically through Noncovalent Pt...Pt Interactions","Inorganic Chemistry","2013","52","","4926","4933","10.1021/ic302531t","","","0.71073","MoKα","","0.0491","0.0334","","","0.0644","0.071","","","","","","1.077","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334602","8.4702","0.0003","12.2601","0.0004","19.8667","0.0006","90","","94.047","0.001","90","","2057.92","0.12","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Co N2 O6 Pt S4 -","- C13 H16 Co N2 O6 Pt S4 -","- C52 H64 Co4 N8 O24 Pt4 S16 -","4","1","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Heterobimetallic Lantern Complexes That Couple Antiferromagnetically through Noncovalent Pt...Pt Interactions","Inorganic Chemistry","2013","52","","4926","4933","10.1021/ic302531t","","","0.71073","MoKα","","0.0328","0.0231","","","0.0457","0.0489","","","","","","1.05","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334603","18.6945","0.0007","8.7141","0.0004","29.585","0.0013","90","","101.96","0.002","90","","4714.9","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl2 N2 Ni O6 Pt S4 -","- C13 H16 N2 Ni O6 Pt S4 -","- C104 H128 N16 Ni8 O48 Pt8 S32 -","8","2","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Heterobimetallic Lantern Complexes That Couple Antiferromagnetically through Noncovalent Pt...Pt Interactions","Inorganic Chemistry","2013","52","","4926","4933","10.1021/ic302531t","","","0.71073","MoKα","","0.0568","0.0423","","","0.1053","0.1113","","","","","","1.056","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334604","8.4935","0.0005","12.2649","0.0007","19.693","0.0011","90","","93.712","0.003","90","","2047.2","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O6 Pt S4 Zn -","- C13 H16 N2 O6 Pt S4 Zn -","- C52 H64 N8 O24 Pt4 S16 Zn4 -","4","1","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Heterobimetallic Lantern Complexes That Couple Antiferromagnetically through Noncovalent Pt...Pt Interactions","Inorganic Chemistry","2013","52","","4926","4933","10.1021/ic302531t","","","0.71073","MoKα","","0.0232","0.0191","","","0.0369","0.0381","","","","","","1.033","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334605","8.856","0.002","8.856","0.002","7.896","0.001","90","","90","","90","","619.3","0.2","150","","150","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C4 H11 N0.5 O12.5 Pu0.5 U0.5 -","- C4 N0.5 O12.5 Pu0.5 U0.5 -","- C8 N O25 Pu U -","2","0.25","","Christelle Tamain; Bénédicte Arab Chapelet; Murielle Rivenet; Francis Abraham; Richard Caraballo; Stéphane Grandjean","Crystal Growth and First Crystallographic Characterization of Mixed Uranium(IV)-Plutonium(III) Oxalates","Inorganic Chemistry","2013","52","","4941","4949","10.1021/ic302587t","","","0.71073","MoKα","","0.0192","0.0185","","","0.0263","0.0264","","","","2.04","2.04","2.02","","","","has coordinates,has Fobs","179449","2020-10-21","18:00:00",""
"4334606","11.158","0.002","11.158","0.002","6.4","0.001","90","","90","","120","","690.1","0.2","150","","150","","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C10 N0 O20 Pu0.7 U1.3 -","- C11.9994 O23.9988 Pu0.7 U1.3 -","- C11.9994 O23.9988 Pu0.7 U1.3 -","1","0.0416667","","Christelle Tamain; Bénédicte Arab Chapelet; Murielle Rivenet; Francis Abraham; Richard Caraballo; Stéphane Grandjean","Crystal Growth and First Crystallographic Characterization of Mixed Uranium(IV)-Plutonium(III) Oxalates","Inorganic Chemistry","2013","52","","4941","4949","10.1021/ic302587t","","","0.71073","MoKα","","0.0419","0.0419","","","0.0525","0.0525","","","","1.85","1.85","1.85","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4334607","11.023","0.002","12.207","0.003","14.157","0.003","97.74","0.004","98.339","0.004","105.093","0.004","1789.9","0.7","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 F12 N7 P2 Ru -","- C32 H25 F12 N7 P2 Ru -","- C64 H50 F24 N14 P4 Ru2 -","2","1","","Juan H. Mecchia Ortiz; Nadia Vega; David Comedi; Mónica Tirado; Isabel Romero; Xavier Fontrodona; Teodor Parella; F. Eduardo Morán Vieyra; Claudio D. Borsarelli; Néstor E. Katz","Improving the Photosensitizing Properties of Ruthenium Polypyridyl Complexes Using 4-Methyl-2,2'-bipyridine-4'-carbonitrile as an Auxiliary Ligand","Inorganic Chemistry","2013","52","","4950","4962","10.1021/ic302594b","","","0.71073","MoKα","","0.1067","0.0692","","","0.137","0.1535","","","","","","1.086","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334608","13.7141","0.0003","15.2643","0.0003","16.943","0.0004","109.361","0.001","105.744","0.001","104.417","0.001","2987.91","0.12","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H59.6667 Cu2 N2 Na4 O33.3333 P4 -","- C8 H56.6667 Cu2 N2 Na4 O33.3333 P4 -","- C24 H170 Cu6 N6 Na12 O100 P12 -","3","1.5","","V. Georgantas; M. Menelaou; V. Psycharis; C. P. Raptopoulou; A. Terzis; V. Tangoulis; C. Mateescu; A. Salifoglou","Aromatic Chelator-Specific Lattice Architecture and Dimensionality in Binary and Ternary Cu(II)-Organophosphonate Materials","Inorganic Chemistry","2013","52","","4963","4976","10.1021/ic302598d","","","0.71073","MoKα","","0.0357","0.0322","","","0.0892","0.0916","","","","","","1.031","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4334609","10.2947","0.0002","17.3151","0.0003","11.8645","0.0002","90","","108.239","0.001","90","","2008.64","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cu2 N6 O14 P4 -","- C28 H44 Cu2 N6 O14 P4 -","- C56 H88 Cu4 N12 O28 P8 -","2","0.5","","V. Georgantas; M. Menelaou; V. Psycharis; C. P. Raptopoulou; A. Terzis; V. Tangoulis; C. Mateescu; A. Salifoglou","Aromatic Chelator-Specific Lattice Architecture and Dimensionality in Binary and Ternary Cu(II)-Organophosphonate Materials","Inorganic Chemistry","2013","52","","4963","4976","10.1021/ic302598d","","","1.54187","CuKα","","0.0547","0.0359","","","0.0932","0.1059","","","","","","1.107","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334610","16.6307","0.0003","28.5261","0.0005","20.0359","0.0004","90","","100.979","0.001","90","","9331.2","0.3","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C67 H110.4 Cu4 N12 O40.2 P8 -","- C67 H68 Cu4 N12 O40.2 P8 -","- C268 H272 Cu16 N48 O160.8 P32 -","4","0.5","","V. Georgantas; M. Menelaou; V. Psycharis; C. P. Raptopoulou; A. Terzis; V. Tangoulis; C. Mateescu; A. Salifoglou","Aromatic Chelator-Specific Lattice Architecture and Dimensionality in Binary and Ternary Cu(II)-Organophosphonate Materials","Inorganic Chemistry","2013","52","","4963","4976","10.1021/ic302598d","","","0.71073","MoKα","","0.0691","0.0559","","","0.1634","0.1745","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334611","16.388","0.003","16.338","0.003","28.333","0.006","91.34","0.03","94.44","0.03","107.76","0.02","7194","3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C79.2 H198 Li0.8 O78.4 Ti28.2 -","- C79.2 H198 Li0.8 O78.4 Ti28.2 -","- C158.4 H396 Li1.6 O156.8 Ti56.4 -","2","1","","Yang Chen; Elzbieta Trzop; Anna Makal; Jesse D. Sokolow; Philip Coppens","Nanosized Alkali-Metal-Doped Ethoxotitanate Clusters","Inorganic Chemistry","2013","52","","4750","4752","10.1021/ic302692d","","","0.71073","MoKα","","0.0723","0.052","","","0.1342","0.1537","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334612","16.368","0.003","16.391","0.003","28.014","0.006","91.44","0.03","93.98","0.03","107.91","0.03","7126","3","90","2","90","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C77 H192.5 Na O76.9 Ti28.45 -","- C77.004 H192.51 Na O76.9 Ti28.45 -","- C154.008 H385.02 Na2 O153.8 Ti56.9 -","2","1","","Yang Chen; Elzbieta Trzop; Anna Makal; Jesse D. Sokolow; Philip Coppens","Nanosized Alkali-Metal-Doped Ethoxotitanate Clusters","Inorganic Chemistry","2013","52","","4750","4752","10.1021/ic302692d","","","0.71073","MoKα","","0.0904","0.0554","","","0.1323","0.1541","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334613","35.991","0.008","25.464","0.01","22.218","0.004","90","","126.5","0.03","90","","16368","10","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H220 O78 Ti28 -","- C88 H220 O78 Ti28 -","- C352 H880 O312 Ti112 -","4","0.5","","Yang Chen; Elzbieta Trzop; Anna Makal; Jesse D. Sokolow; Philip Coppens","Nanosized Alkali-Metal-Doped Ethoxotitanate Clusters","Inorganic Chemistry","2013","52","","4750","4752","10.1021/ic302692d","","","0.71073","MoKα","","0.1391","0.0723","","","0.1577","0.1829","","","","","","1.068","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334614","12.761","0.003","13.232","0.003","15.826","0.004","79.669","0.005","74.646","0.005","79.387","0.005","2508.7","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C110.7 H108.7 Cl4 Fe7 N12 O2 -","- C110.7 H108.7 Cl4 Fe7 N12 O2 -","- C110.7 H108.7 Cl4 Fe7 N12 O2 -","1","0.5","","Emily V. Eames; Raúl Hernández Sánchez; Theodore A. Betley","Metal Atom Lability in Polynuclear Complexes","Inorganic Chemistry","2013","52","","5006","5012","10.1021/ic302694y","","","0.71073","MoKα","","0.1409","0.0698","","","0.1684","0.1983","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334615","12.761","0.003","13.232","0.003","15.826","0.004","79.669","0.005","74.646","0.005","79.387","0.005","2508.7","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C110.7 H108.7 Cl4 Co Fe6 N12 O2 -","- C110.7 H108.7 Cl4 Co Fe6 N12 O2 -","- C110.7 H108.7 Cl4 Co Fe6 N12 O2 -","1","0.5","","Emily V. Eames; Raúl Hernández Sánchez; Theodore A. Betley","Metal Atom Lability in Polynuclear Complexes","Inorganic Chemistry","2013","52","","5006","5012","10.1021/ic302694y","","","0.71073","MoKα","","0.1986","0.0709","","","0.1267","0.1588","","","","","","1.002","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334616","12.74","0.003","18.127","0.003","19.225","0.004","72.228","0.004","86.533","0.004","76.061","0.003","4103","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H87 Cl2 Co2 Fe4 N17 -","- C92 H87 Cl2 Co2 Fe4 N17 -","- C184 H174 Cl4 Co4 Fe8 N34 -","2","1","","Emily V. Eames; Raúl Hernández Sánchez; Theodore A. Betley","Metal Atom Lability in Polynuclear Complexes","Inorganic Chemistry","2013","52","","5006","5012","10.1021/ic302694y","","","0.71073","MoKα","","0.0928","0.0413","","","0.0843","0.1009","","","","","","1.009","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334617","11.1826","0.001","11.8436","0.0011","17.588","0.0016","73.418","0.001","82.232","0.001","67.098","0.001","2055.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H87 Cl2 Co4 Fe2 N17 -","- C92 H87 Cl2 Co4 Fe2 N17 -","- C92 H87 Cl2 Co4 Fe2 N17 -","1","0.5","","Emily V. Eames; Raúl Hernández Sánchez; Theodore A. Betley","Metal Atom Lability in Polynuclear Complexes","Inorganic Chemistry","2013","52","","5006","5012","10.1021/ic302694y","","","0.71073","MoKα","","0.0751","0.0411","","","0.083","0.0948","","","","","","1.046","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334618","18.098","0.003","19.088","0.003","19.35","0.003","74.295","0.002","67.153","0.002","80.516","0.002","5916.7","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C139 H129 Cl2 Co4 Fe2 N12 -","- C139 H129 Cl2 Co4 Fe2 N12 -","- C278 H258 Cl4 Co8 Fe4 N24 -","2","1","","Emily V. Eames; Raúl Hernández Sánchez; Theodore A. Betley","Metal Atom Lability in Polynuclear Complexes","Inorganic Chemistry","2013","52","","5006","5012","10.1021/ic302694y","","","0.71073","MoKα","","0.1372","0.1009","","","0.2636","0.2914","","","","","","1.092","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334619","15.632","0.003","12.913","0.002","29.373","0.005","90","","92.006","0.002","90","","5925.5","1.8","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tris(μ2-1,3-bis(4,4,4-Trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl)- bis(1,2-dimethoxyethane-O,O')-di-europium(iii)","","- C50 H38 Eu2 F18 O16 -","- C50 H38 Eu2 F18 O16 -","- C200 H152 Eu8 F72 O64 -","4","0.5","","Jing Shi; Yanjun Hou; Wenyi Chu; Xiaohong Shi; Huiquan Gu; Bilin Wang; Zhizhong Sun","Crystal Structure and Highly Luminescent Properties Studies of Bis-β-diketonate Lanthanide Complexes","Inorganic Chemistry","2013","52","","5013","5022","10.1021/ic302726z","","","0.71073","MoKα","","0.0532","0.0425","","","0.1125","0.1204","","","","","","1.035","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334620","12.3302","0.0004","15.1832","0.0005","19.6047","0.0007","96.92","","103.56","","91.55","","3536.1","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","bis(2,2'-Bipyridyl)-tris(μ2-1,3-bis(4,4,4-Trifluoro-3-oxido- 1-(oxo)but-2-en-1-yl)phenyl)-di-europium(iii) dichloromethane solvate","","- C64 H38 Cl4 Eu2 F18 N4 O12 -","- C64 H38 Cl4 Eu2 F18 N4 O12 -","- C128 H76 Cl8 Eu4 F36 N8 O24 -","2","1","","Jing Shi; Yanjun Hou; Wenyi Chu; Xiaohong Shi; Huiquan Gu; Bilin Wang; Zhizhong Sun","Crystal Structure and Highly Luminescent Properties Studies of Bis-β-diketonate Lanthanide Complexes","Inorganic Chemistry","2013","52","","5013","5022","10.1021/ic302726z","","","0.71073","MoKα","","0.0381","0.0329","","","0.0876","0.0919","","","","","","1.038","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334621","15.6073","0.0008","12.9464","0.0006","29.3024","0.0014","90","","92.016","0.001","90","","5917.1","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tris(μ2-1,3-bis(4,4,4-Trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl)- bis(1,2-dimethoxyethane-O,O')-di-Samarium(iii)","","- C50 H38 F18 O16 Sm2 -","- C50 H38 F18 O16 Sm2 -","- C200 H152 F72 O64 Sm8 -","4","0.5","","Jing Shi; Yanjun Hou; Wenyi Chu; Xiaohong Shi; Huiquan Gu; Bilin Wang; Zhizhong Sun","Crystal Structure and Highly Luminescent Properties Studies of Bis-β-diketonate Lanthanide Complexes","Inorganic Chemistry","2013","52","","5013","5022","10.1021/ic302726z","","","0.71073","MoKα","","0.0332","0.0297","","","0.0656","0.0672","","","","","","1.159","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334622","12.3311","0.0004","15.1841","0.0005","19.6059","0.0007","96.92","","103.56","","91.55","","3536.8","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","bis(2,2'-Bipyridyl)-tris(μ2-1,3-bis(4,4,4-Trifluoro-3-oxido- 1-(oxo)but-2-en-1-yl)phenyl)-di-Samarium(iii) dichloromethane solvate","","- C64 H38 Cl4 F18 N4 O12 Sm2 -","- C64 H38 Cl4 F18 N4 O12 Sm2 -","- C128 H76 Cl8 F36 N8 O24 Sm4 -","2","1","","Jing Shi; Yanjun Hou; Wenyi Chu; Xiaohong Shi; Huiquan Gu; Bilin Wang; Zhizhong Sun","Crystal Structure and Highly Luminescent Properties Studies of Bis-β-diketonate Lanthanide Complexes","Inorganic Chemistry","2013","52","","5013","5022","10.1021/ic302726z","","","0.71073","MoKα","","0.0408","0.0356","","","0.0965","0.1013","","","","","","1.034","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334623","7.4123","0.0006","7.6587","0.0003","23.2899","0.0016","90","","98.775","0.005","90","","1306.66","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TTF-dichloro-1,3,5-triazine","","","- C9 H3 Cl2 N3 S4 -","- C9 H3 Cl2 N3 S4 -","- C36 H12 Cl8 N12 S16 -","4","1","","Flavia Pop; François Riobé; Sabine Seifert; Thomas Cauchy; Jie Ding; Nathalie Dupont; Andreas Hauser; Marius Koch; Narcis Avarvari","Tetrathiafulvalene-1,3,5-triazines as (Multi)Donor-Acceptor Systems with Tunable Charge Transfer: Structural, Photophysical, and Theoretical Investigations","Inorganic Chemistry","2013","52","","5023","5034","10.1021/ic3027336","","","0.71073","MoKα","","0.0946","0.0437","","","0.0736","0.0861","","","","","","1.031","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334624","7.0913","0.0005","15.9784","0.0015","15.2724","0.0012","90","0.005","94.935","0.007","90","0.007","1724.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TTF(SMe)2-dichloro-1,3,5-triazine","","","- C11 H7 Cl2 N3 S6 -","- C11 H7 Cl2 N3 S6 -","- C44 H28 Cl8 N12 S24 -","4","1","","Flavia Pop; François Riobé; Sabine Seifert; Thomas Cauchy; Jie Ding; Nathalie Dupont; Andreas Hauser; Marius Koch; Narcis Avarvari","Tetrathiafulvalene-1,3,5-triazines as (Multi)Donor-Acceptor Systems with Tunable Charge Transfer: Structural, Photophysical, and Theoretical Investigations","Inorganic Chemistry","2013","52","","5023","5034","10.1021/ic3027336","","","0.71073","MoKα","","0.1002","0.0551","","","0.1041","0.1168","","","","","","1.146","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334625","9.7138","0.0007","14.9137","0.0009","12.1657","0.0006","90","0.004","112.131","0.005","90","0.006","1632.58","0.18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C9 H3 Cl2 F6 N3 P S4 -","- C9 H3 Cl2 F6 N3 P S4 -","- C36 H12 Cl8 F24 N12 P4 S16 -","4","1","","Flavia Pop; François Riobé; Sabine Seifert; Thomas Cauchy; Jie Ding; Nathalie Dupont; Andreas Hauser; Marius Koch; Narcis Avarvari","Tetrathiafulvalene-1,3,5-triazines as (Multi)Donor-Acceptor Systems with Tunable Charge Transfer: Structural, Photophysical, and Theoretical Investigations","Inorganic Chemistry","2013","52","","5023","5034","10.1021/ic3027336","","","0.71073","MoKα","","0.11","0.067","","","0.1666","0.1978","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334626","15.243","0.005","15.813","0.005","17.963","0.005","66.685","0.005","82.697","0.005","70.871","0.005","3757","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H96 Dy2 Mn2 N6 O31 -","- C58 H96 Dy2 Mn2 N6 O31 -","- C116 H192 Dy4 Mn4 N12 O62 -","2","1","","Vadapalli Chandrasekhar; Prasenjit Bag; Manfred Speldrich; Jan van Leusen; Paul Kögerler","Synthesis, Structure, and Magnetic Properties of a New Family of Tetra-nuclear {Mn2IIILn2} (Ln = Dy, Gd, Tb, Ho) Clusters With an Arch-Type Topology: Single-Molecule Magnetism Behavior in the Dysprosium and Terbium Analogues","Inorganic Chemistry","2013","52","","5035","5044","10.1021/ic302742u","","","0.71069","MoKα","","0.0823","0.0659","","","0.1694","0.1888","","","","","","1.052","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334627","15.268","0.005","15.808","0.005","17.965","0.005","66.994","0.005","82.487","0.005","70.931","0.005","3772","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H96 Gd2 Mn2 N6 O32 -","- C58 H96 Gd2 Mn2 N6 O32 -","- C116 H192 Gd4 Mn4 N12 O64 -","2","1","","Vadapalli Chandrasekhar; Prasenjit Bag; Manfred Speldrich; Jan van Leusen; Paul Kögerler","Synthesis, Structure, and Magnetic Properties of a New Family of Tetra-nuclear {Mn2IIILn2} (Ln = Dy, Gd, Tb, Ho) Clusters With an Arch-Type Topology: Single-Molecule Magnetism Behavior in the Dysprosium and Terbium Analogues","Inorganic Chemistry","2013","52","","5035","5044","10.1021/ic302742u","","","0.71069","MoKα","","0.0897","0.0693","","","0.1852","0.2119","","","","","","1.045","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334628","15.246","0.005","15.802","0.005","17.911","0.005","66.852","0.005","82.714","0.005","71.074","0.005","3753","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H99 Mn2 N6 O31 Tb2 -","- C62 H99 Mn2 N6 O31 Tb2 -","- C124 H198 Mn4 N12 O62 Tb4 -","2","1","","Vadapalli Chandrasekhar; Prasenjit Bag; Manfred Speldrich; Jan van Leusen; Paul Kögerler","Synthesis, Structure, and Magnetic Properties of a New Family of Tetra-nuclear {Mn2IIILn2} (Ln = Dy, Gd, Tb, Ho) Clusters With an Arch-Type Topology: Single-Molecule Magnetism Behavior in the Dysprosium and Terbium Analogues","Inorganic Chemistry","2013","52","","5035","5044","10.1021/ic302742u","","","0.71069","MoKα","","0.1202","0.0925","","","0.2285","0.2483","","","","","","1.073","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334629","15.665","0.005","32.486","0.005","15.691","0.005","90","0.005","108.6","0.005","90","0.005","7568","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H105 Cl2 Ho2 Mn2 N4 O25 -","- C61 H102 Cl2 Ho2 Mn2 N4 O25 -","- C244 H408 Cl8 Ho8 Mn8 N16 O100 -","4","1","","Vadapalli Chandrasekhar; Prasenjit Bag; Manfred Speldrich; Jan van Leusen; Paul Kögerler","Synthesis, Structure, and Magnetic Properties of a New Family of Tetra-nuclear {Mn2IIILn2} (Ln = Dy, Gd, Tb, Ho) Clusters With an Arch-Type Topology: Single-Molecule Magnetism Behavior in the Dysprosium and Terbium Analogues","Inorganic Chemistry","2013","52","","5035","5044","10.1021/ic302742u","","","0.71069","MoKα","","0.084","0.0579","","","0.1543","0.1771","","","","","","1.039","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334630","14.552","0.008","14.552","0.008","14.552","0.008","90","","90","","90","","3082","3","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Cr2 La -","- Al20 Cr2 La -","- Al160 Cr16 La8 -","8","0.0416667","","LaRico J. Treadwell; Jacob D. McAlpin; Devin C. Schmitt; Michael J. Kangas; Moulay T. Sougrati; Neel Haldolaarachchige; David P. Young; Jean-Claude Jumas; Julia Y. Chan","Investigation of Fe incorporation in LnCr2Al20 (Ln = La, Gd, Yb) with 57Fe Mössbauer and Single Crystal X-ray Diffraction","Inorganic Chemistry","2013","52","","5055","5062","10.1021/ic302805n","","","0.71073","MoKα","","0.0255","0.0237","","","0.0584","0.0591","","","","","","1.38","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334631","14.46","0.003","14.46","0.003","14.46","0.003","90","","90","","90","","3023.5","1.1","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al20 Cr2 Gd -","- Al20 Cr2 Gd -","- Al160 Cr16 Gd8 -","8","0.0416667","","LaRico J. Treadwell; Jacob D. McAlpin; Devin C. Schmitt; Michael J. Kangas; Moulay T. Sougrati; Neel Haldolaarachchige; David P. Young; Jean-Claude Jumas; Julia Y. Chan","Investigation of Fe incorporation in LnCr2Al20 (Ln = La, Gd, Yb) with 57Fe Mössbauer and Single Crystal X-ray Diffraction","Inorganic Chemistry","2013","52","","5055","5062","10.1021/ic302805n","","","0.71073","MoKα","","0.0254","0.0216","","","0.0472","0.0483","","","","","","1.103","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334632","14.431","0.008","14.431","0.008","14.431","0.008","90","","90","","90","","3005","3","293","2","293","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al19.7 Cr2 Fe0.3 Gd -","- Al19.688 Cr2 Fe0.312 Gd -","- Al157.504 Cr16 Fe2.496 Gd8 -","8","0.0416667","","LaRico J. Treadwell; Jacob D. McAlpin; Devin C. Schmitt; Michael J. Kangas; Moulay T. Sougrati; Neel Haldolaarachchige; David P. Young; Jean-Claude Jumas; Julia Y. Chan","Investigation of Fe incorporation in LnCr2Al20 (Ln = La, Gd, Yb) with 57Fe Mössbauer and Single Crystal X-ray Diffraction","Inorganic Chemistry","2013","52","","5055","5062","10.1021/ic302805n","","","0.71073","MoKα","","0.0175","0.0161","","","0.0408","0.0413","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334633","14.45","0.004","14.45","0.004","14.45","0.004","90","","90","","90","","3017.2","1.4","296","1","296","1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al19.9 Cr2 Fe0.1 Yb -","- Al19.904 Cr2 Fe0.096 Yb -","- Al159.232 Cr16 Fe0.768 Yb8 -","8","0.0416667","","LaRico J. Treadwell; Jacob D. McAlpin; Devin C. Schmitt; Michael J. Kangas; Moulay T. Sougrati; Neel Haldolaarachchige; David P. Young; Jean-Claude Jumas; Julia Y. Chan","Investigation of Fe incorporation in LnCr2Al20 (Ln = La, Gd, Yb) with 57Fe Mössbauer and Single Crystal X-ray Diffraction","Inorganic Chemistry","2013","52","","5055","5062","10.1021/ic302805n","","","0.71073","MoKα","","0.0252","0.0215","","","0.0456","0.0466","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334634","14.443","0.004","14.443","0.004","14.443","0.004","90","","90","","90","","3012.8","1.4","296","2","296","1","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al19.78 Cr2 Fe0.22 Yb -","- Al19.784 Cr2 Fe0.216 Yb -","- Al158.272 Cr16 Fe1.728 Yb8 -","8","0.0416667","","LaRico J. Treadwell; Jacob D. McAlpin; Devin C. Schmitt; Michael J. Kangas; Moulay T. Sougrati; Neel Haldolaarachchige; David P. Young; Jean-Claude Jumas; Julia Y. Chan","Investigation of Fe incorporation in LnCr2Al20 (Ln = La, Gd, Yb) with 57Fe Mössbauer and Single Crystal X-ray Diffraction","Inorganic Chemistry","2013","52","","5055","5062","10.1021/ic302805n","","","0.71073","MoKα","","0.023","0.0198","","","0.0381","0.0386","","","","","","1.123","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334635","13.9392","0.0003","14.4645","0.0003","19.5726","0.0014","83.76","0.006","89.32","0.006","74.143","0.005","3773","0.3","85","2","85","2","","","","","","","","7","P 1","P 1","1","","","","- C107.75 H112 F7.5 N27 O34.75 S2.5 Zn10 -","- C107.75 H96 F7.5 N27 O34.75 S2.5 Zn10 -","- C107.75 H96 F7.5 N27 O34.75 S2.5 Zn10 -","1","1","","Joseph Jankolovits; Jeff W. Kampf; Vincent L. Pecoraro","Isolation of Elusive Tetranuclear and Pentanuclear M(II)-Hydroximate Intermediates in the Assembly of Lanthanide [15-Metallacrown-5] Complexes","Inorganic Chemistry","2013","52","","5063","5076","10.1021/ic302831u","","","1.54178","CuKα","","0.0718","0.0699","","","0.2113","0.2144","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334636","20.048","0.004","23.873","0.003","18.784","0.003","90","","93.19","0.018","90","","8976","3","85","2","85","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C87.5 H75.9 B2 F8 N17.5 O10.2 Zn5 -","- C85.22 H69.05 B2 F8 N16.84 O10.2 Zn5 -","- C340.88 H276.2 B8 F32 N67.36 O40.8 Zn20 -","4","1","","Joseph Jankolovits; Jeff W. Kampf; Vincent L. Pecoraro","Isolation of Elusive Tetranuclear and Pentanuclear M(II)-Hydroximate Intermediates in the Assembly of Lanthanide [15-Metallacrown-5] Complexes","Inorganic Chemistry","2013","52","","5063","5076","10.1021/ic302831u","","","0.71073","MoKα","","0.0888","0.0552","","","0.1521","0.1762","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334637","13.1078","0.0002","15.7214","0.0003","21.343","0.0015","85.346","0.006","85.445","0.006","85.262","0.006","4357","0.3","358","2","358","2","","","","","","","","5","P -1","-P 1","2","","","","- C98.75 H85.25 N10.88 Ni5 O19.25 -","- C88.75 H72.75 N19.75 Ni5 O17.26 -","- C177.5 H145.5 N39.5 Ni10 O34.52 -","2","1","","Joseph Jankolovits; Jeff W. Kampf; Vincent L. Pecoraro","Isolation of Elusive Tetranuclear and Pentanuclear M(II)-Hydroximate Intermediates in the Assembly of Lanthanide [15-Metallacrown-5] Complexes","Inorganic Chemistry","2013","52","","5063","5076","10.1021/ic302831u","","","1.54178","CuKα","","0.0878","0.0715","","","0.2066","0.2181","","","","","","1.182","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334638","7.9774","0.0002","10.4943","0.0003","10.6971","0.0003","80.681","0.001","77.535","0.001","79.547","0.001","852.85","0.04","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","Zn4(picHA)2(acetate)4(dimethylformamide)2","","- C26 H34 N6 O14 Zn4 -","- C26 H34 N6 O14 Zn4 -","- C26 H34 N6 O14 Zn4 -","1","0.5","","Joseph Jankolovits; Jeff W. Kampf; Vincent L. Pecoraro","Isolation of Elusive Tetranuclear and Pentanuclear M(II)-Hydroximate Intermediates in the Assembly of Lanthanide [15-Metallacrown-5] Complexes","Inorganic Chemistry","2013","52","","5063","5076","10.1021/ic302831u","","","0.71073","MoKα","","0.026","0.0225","","","0.0594","0.0612","","","","","","1.044","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334639","16.498","0.005","8.417","0.003","19.454","0.006","90","","90","","90","","2701.5","1.5","300","2","300","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H26 Cl F6 N6 P Ru -","- C23 H26 Cl F6 N6 P Ru -","- C92 H104 Cl4 F24 N24 P4 Ru4 -","4","1","","Mohamed Dakkach; Ahmed Atlamsani; Teodor Parella; Xavier Fontrodona; Isabel Romero; Montserrat Rodríguez","New Aqua N-Heterocyclic Carbene Ru(II) Complexes with Two-Electron Process as Selective Epoxidation Catalysts: An Evaluation of Geometrical and Electronic Effects","Inorganic Chemistry","2013","52","","5077","5087","10.1021/ic302863h","","","0.71073","MoKα","","0.0777","0.0477","","","0.1178","0.1312","","","","","","1.015","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334640","16.833","0.003","8.3726","0.0016","19.44","0.004","90","","90","","90","","2739.8","0.9","300","2","300","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C23 H26 Br F6 N6 P Ru -","- C23 H26 Br F6 N6 P Ru -","- C92 H104 Br4 F24 N24 P4 Ru4 -","4","1","","Mohamed Dakkach; Ahmed Atlamsani; Teodor Parella; Xavier Fontrodona; Isabel Romero; Montserrat Rodríguez","New Aqua N-Heterocyclic Carbene Ru(II) Complexes with Two-Electron Process as Selective Epoxidation Catalysts: An Evaluation of Geometrical and Electronic Effects","Inorganic Chemistry","2013","52","","5077","5087","10.1021/ic302863h","","","0.71073","MoKα","","0.0965","0.0497","","","0.1101","0.1298","","","","","","1.011","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334641","13.593","0.008","15.802","0.01","28.423","0.017","90","","90","","90","","6105","6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C25 H24 Cl3 F6 N6 O P Ru -","- C24 H20 Cl F6 N6 P Ru -","- C192 H160 Cl8 F48 N48 P8 Ru8 -","8","1","","Mohamed Dakkach; Ahmed Atlamsani; Teodor Parella; Xavier Fontrodona; Isabel Romero; Montserrat Rodríguez","New Aqua N-Heterocyclic Carbene Ru(II) Complexes with Two-Electron Process as Selective Epoxidation Catalysts: An Evaluation of Geometrical and Electronic Effects","Inorganic Chemistry","2013","52","","5077","5087","10.1021/ic302863h","","","0.71073","MoKα","","0.1705","0.1019","","","0.2634","0.298","","","","","","1.01","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334642","9.9335","0.0002","26.1852","0.0006","14.6608","0.0002","90","","132.341","0.001","90","","2818.69","0.1","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl2 Cu N4 O13 -","- C26 H32 Cl2 Cu N4 O13 -","- C104 H128 Cl8 Cu4 N16 O52 -","4","1","","Catarina V. Esteves; Pedro Lamosa; Rita Delgado; Judite Costa; Pauline Désogère; Yoann Rousselin; Christine Goze; Franck Denat","Remarkable Inertness of Copper(II) Chelates of Cyclen-Based Macrobicycles with Two trans-N-Acetate Arms","Inorganic Chemistry","2013","52","","5138","5153","10.1021/ic400015v","","","0.71073","MoKα","","0.0533","0.044","","","0.0912","0.0966","","","","","","1.067","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334643","9.6023","0.0004","16.4735","0.0006","33.8442","0.0014","90","","94.425","0.002","90","","5337.6","0.4","115","2","115","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H78 Cu2 N8 O17 -","- C52 H78 Cu2 N8 O17 -","- C208 H312 Cu8 N32 O68 -","4","0.5","","Catarina V. Esteves; Pedro Lamosa; Rita Delgado; Judite Costa; Pauline Désogère; Yoann Rousselin; Christine Goze; Franck Denat","Remarkable Inertness of Copper(II) Chelates of Cyclen-Based Macrobicycles with Two trans-N-Acetate Arms","Inorganic Chemistry","2013","52","","5138","5153","10.1021/ic400015v","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0789","0.0425","","","0.0779","0.0876","","","","","","1.004","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334644","6.9284","0.0004","13.3816","0.0016","49.865","0.004","90","","90","","90","","4623.1","0.7","293","2","293","2","","","","","","","","5","P m c b","-P 2bc 2","55","Potassium uranyl borate","","","- B22 H20 K24 O185 U40 -","- B22 K24 O185 U40 -","- B22 K24 O185 U40 -","1","0.125","","Shijun Wu; Shuao Wang; Matthew Polinski; Oliver Beermann; Philip Kegler; Thomas Malcherek; Astrid Holzheid; Wulf Depmeier; Dirk Bosbach; Thomas E. Albrecht-Schmitt; Evgeny V. Alekseev","High Structural Complexity of Potassium Uranyl Borates Derived from High-Temperature/High-Pressure Reactions","Inorganic Chemistry","2013","52","","5110","5118","10.1021/ic400016z","","","0.71073","MoKα","","0.0468","0.0333","","","0.0647","0.068","","","","","","1.174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334645","6.801","0.006","11.831","0.01","13.33","0.012","90","","90.207","0.01","90","","1072.6","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Potassium uranyl borate","","","- B2 H2 K4 O21 U5 -","- B2 K4 O21 U5 -","- B4 K8 O42 U10 -","2","0.5","","Shijun Wu; Shuao Wang; Matthew Polinski; Oliver Beermann; Philip Kegler; Thomas Malcherek; Astrid Holzheid; Wulf Depmeier; Dirk Bosbach; Thomas E. Albrecht-Schmitt; Evgeny V. Alekseev","High Structural Complexity of Potassium Uranyl Borates Derived from High-Temperature/High-Pressure Reactions","Inorganic Chemistry","2013","52","","5110","5118","10.1021/ic400016z","","","0.71073","MoKα","","0.0472","0.0376","","","0.0884","0.092","","","","","","1.182","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334646","13.438","0.007","6.85","0.004","22.238","0.012","90","","107.586","0.013","90","","1951.3","1.9","293","2","293","2","","","","","","","","4","P 1 2/m 1","-P 2y","10","Potassium uranyl borate","","","- B7 K15 O72 U18 -","- B7 K15 O72 U18 -","- B7 K15 O72 U18 -","1","0.25","","Shijun Wu; Shuao Wang; Matthew Polinski; Oliver Beermann; Philip Kegler; Thomas Malcherek; Astrid Holzheid; Wulf Depmeier; Dirk Bosbach; Thomas E. Albrecht-Schmitt; Evgeny V. Alekseev","High Structural Complexity of Potassium Uranyl Borates Derived from High-Temperature/High-Pressure Reactions","Inorganic Chemistry","2013","52","","5110","5118","10.1021/ic400016z","","","0.71073","MoKα","","0.1676","0.064","","","0.1423","0.1849","","","","","","1.07","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334647","12.4895","0.0006","13.7523","0.0006","17.0756","0.0008","69.629","0.002","83.356","0.002","64.836","0.002","2486.7","0.2","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C6 H86 Bi2 Mn2 N4 Na4 O104 W20 -","- C6 H86 Bi2 Mn2 N4 Na4 O104 W20 -","- C6 H86 Bi2 Mn2 N4 Na4 O104 W20 -","1","0.5","","Lu Wang; Bai-Bin Zhou; Kai Yu; Zhan-Hua Su; Song Gao; Li-Li Chu; Jia-Ren Liu; Guo-Yu Yang","Novel Antitumor Agent, Trilacunary Keggin-Type Tungstobismuthate, Inhibits Proliferation and Induces Apoptosis in Human Gastric Cancer SGC-7901 Cells","Inorganic Chemistry","2013","52","","5119","5127","10.1021/ic400019r","","","0.71073","MoKα","","0.109","0.0665","","","0.1481","0.1768","","","","","","0.995","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334648","13.166","0.002","13.206","0.002","14.229","0.003","113.848","0.006","107.247","0.013","99.429","0.01","2043.9","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H72 Cl6 Cu2 O8 P6 Pt -","- C82 H72 Cl6 Cu2 O8 P6 Pt -","- C82 H72 Cl6 Cu2 O8 P6 Pt -","1","0.5","","Li-Yi Zhang; Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Jia Li; Zhong-Ning Chen","Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes","Inorganic Chemistry","2013","52","","5167","5175","10.1021/ic4000457","","","0.71073","MoKα","","0.0662","0.0655","","","0.1764","0.1772","","","","","","1.019","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334649","12.8933","0.0003","19.5901","0.0006","17.0399","0.0005","90","","97.881","0.002","90","","4263.3","0.2","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C83 H68 Ag2 Cl4 F6 O8 P6 Pt -","- C82 H66 Ag2 Cl2 F6 O8 P6 Pt -","- C164 H132 Ag4 Cl4 F12 O16 P12 Pt2 -","2","1","","Li-Yi Zhang; Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Jia Li; Zhong-Ning Chen","Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes","Inorganic Chemistry","2013","52","","5167","5175","10.1021/ic4000457","","","0.71073","MoKα","","0.0474","0.0378","","","0.0811","0.0866","","","","","","0.88","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334650","15.485","0.003","16.633","0.003","19.919","0.004","90","","105.12","0.004","90","","4952.8","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C92 H92 Ag2 Cl10 O8 P6 Pt -","- C92 H92 Ag2 Cl10 O8 P6 Pt -","- C184 H184 Ag4 Cl20 O16 P12 Pt2 -","2","0.5","","Li-Yi Zhang; Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Jia Li; Zhong-Ning Chen","Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes","Inorganic Chemistry","2013","52","","5167","5175","10.1021/ic4000457","","","0.71073","MoKα","","0.0465","0.0421","","","0.1201","0.1242","","","","","","1.063","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334651","14.027","0.0015","15.6194","0.0018","23.76","0.003","97.268","0.007","103.671","0.006","113.758","0.004","4483.3","1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C92 H91 Ag2 Cl2 N2 O8 P6 Pt -","- C92 H91 Ag2 Cl2 N2 O8 P6 Pt -","- C184 H182 Ag4 Cl4 N4 O16 P12 Pt2 -","2","1","","Li-Yi Zhang; Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Jia Li; Zhong-Ning Chen","Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes","Inorganic Chemistry","2013","52","","5167","5175","10.1021/ic4000457","","","0.71073","MoKα","","0.0397","0.0356","","","0.0936","0.0967","","","","","","1.039","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334652","12.257","0.005","19.503","0.009","19.168","0.009","90","","95.843","0.013","90","","4558","4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C84 H80 Ag2 Cl6 O12 P6 Pt -","- C84 H76 Ag2 Cl6 O12 P6 Pt -","- C168 H152 Ag4 Cl12 O24 P12 Pt2 -","2","0.5","","Li-Yi Zhang; Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Jia Li; Zhong-Ning Chen","Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes","Inorganic Chemistry","2013","52","","5167","5175","10.1021/ic4000457","","","0.71073","MoKα","","0.0645","0.0522","","","0.1576","0.1866","","","","","","1.049","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334653","15.147","0.003","31.486","0.007","23.127","0.005","90","","98.469","0.003","90","","10909","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C112 H102 Ag2 Cl2 N6 O10 P6 Pt -","- C112 H102 Ag2 Cl2 N6 O10 P6 Pt -","- C448 H408 Ag8 Cl8 N24 O40 P24 Pt4 -","4","0.5","","Li-Yi Zhang; Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Jia Li; Zhong-Ning Chen","Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes","Inorganic Chemistry","2013","52","","5167","5175","10.1021/ic4000457","","","0.71073","MoKα","","0.0474","0.0397","","","0.0911","0.0961","","","","","","0.999","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334654","12.535","0.005","13.624","0.005","16.041","0.006","108.749","0.004","102.47","","109.671","0.002","2275.6","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H92 Ag2 Cl2 O16 P6 Pt -","- C92 H92 Ag2 Cl2 O16 P6 Pt -","- C92 H92 Ag2 Cl2 O16 P6 Pt -","1","0.5","","Li-Yi Zhang; Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Jia Li; Zhong-Ning Chen","Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes","Inorganic Chemistry","2013","52","","5167","5175","10.1021/ic4000457","","","0.71073","MoKα","","0.0589","0.0491","","","0.1089","0.1129","","","","","","0.93","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334655","13.66","0.002","16.707","0.004","24.793","0.005","101.254","0.01","98.065","0.007","110.78","0.005","5051.1","1.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H108 Ag2 Cl2 N4 O18 P6 Pt -","- C98 H108 Ag2 Cl2 N4 O18 P6 Pt -","- C196 H216 Ag4 Cl4 N8 O36 P12 Pt2 -","2","1","","Li-Yi Zhang; Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Jia Li; Zhong-Ning Chen","Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes","Inorganic Chemistry","2013","52","","5167","5175","10.1021/ic4000457","","","0.71073","MoKα","","0.052","0.0431","","","0.1026","0.1108","","","","","","1.044","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334656","12.908","0.003","27.768","0.007","15.394","0.003","90","","111.669","0.004","90","","5128","2","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C98 H106 Ag2 Cl2 N2 O16 P6 Pt -","- C98 H106 Ag2 Cl2 N2 O16 P6 Pt -","- C196 H212 Ag4 Cl4 N4 O32 P12 Pt2 -","2","0.5","","Li-Yi Zhang; Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Jia Li; Zhong-Ning Chen","Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes","Inorganic Chemistry","2013","52","","5167","5175","10.1021/ic4000457","","","0.71073","MoKα","","0.0632","0.0465","","","0.088","0.0955","","","","","","1.064","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334657","17.878","0.003","14.0535","0.0013","20.772","0.003","90","","96.816","0.012","90","","5182","1.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C106 H100 Ag2 Cl2 N4 O14 P6 Pt -","- C106 H100 Ag2 Cl2 N4 O14 P6 Pt -","- C212 H200 Ag4 Cl4 N8 O28 P12 Pt2 -","2","0.5","","Li-Yi Zhang; Liang-Jin Xu; Xu Zhang; Jin-Yun Wang; Jia Li; Zhong-Ning Chen","Spectroscopic and Phosphorescent Modulation in Triphosphine-Supported PtAg2 Heterotrinuclear Alkynyl Complexes","Inorganic Chemistry","2013","52","","5167","5175","10.1021/ic4000457","","","0.71073","MoKα","","0.0421","0.0326","","","0.0701","0.0749","","","","","","1.081","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334658","12","0.006","10.204","0.005","12.936","0.006","90","","90","","90","","1584","1.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H11 Cl2 P -","- C4 H11 Cl2 P -","- C32 H88 Cl16 P8 -","8","1","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71075","MoKα","","0.078","0.072","","","0.1841","0.1923","","","","","","1.078","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334659","6.5363","0.0003","8.2306","0.0004","13.1544","0.0008","90","","101.801","0.003","90","","692.72","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Cl4 P2 Si -","- C6 H18 Cl4 P2 Si -","- C12 H36 Cl8 P4 Si2 -","2","0.5","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71073","MoKα","","0.0231","0.022","","","0.0569","0.0576","","","","","","1.165","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334660","14.408","0.005","8.465","0.003","13.448","0.005","90","","113.561","0.004","90","","1503.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Br4 P2 Si -","- C6 H18 Br4 P2 Si -","- C24 H72 Br16 P8 Si4 -","4","1","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71075","MoKα","","0.052","0.0384","","","0.0686","0.072","","","","","","1.128","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334661","15.603","0.005","7.912","0.005","11.574","0.005","90","0.005","90","0.005","90","0.005","1428.8","1.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H16 Cl4 P2 Si -","- C6 H16 Cl4 P2 Si -","- C24 H64 Cl16 P8 Si4 -","4","1","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71075","MoKα","","0.0631","0.0559","","","0.0723","0.0746","","","","","","1.112","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334662","11.285","0.003","11.285","0.003","23.543","0.01","90","","90","","90","","2998.2","1.7","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C6 H16 Br4 P2 Si -","- C6 H16 Br4 P2 Si -","- C48 H128 Br32 P16 Si8 -","8","0.5","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71075","MoKα","","0.0237","0.0196","","","0.0393","0.0402","","","","","","0.993","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334663","9.126","0.004","11.875","0.005","16.579","0.008","90","","104.159","0.007","90","","1742.1","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 Cl4 P2 Si -","- C10 H24 Cl4 P2 Si -","- C40 H96 Cl16 P8 Si4 -","4","0.5","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71073","MoKα","","0.0837","0.0709","","","0.1623","0.174","","","","","","1.049","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334664","9.353","0.003","11.954","0.004","17.285","0.006","90","","104.902","0.004","90","","1867.6","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H24 Br4 P2 Si -","- C10 H24 Br4 P2 Si -","- C40 H96 Br16 P8 Si4 -","4","0.5","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71075","MoKα","","0.0181","0.0158","","","0.0351","0.0357","","","","","","0.984","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334665","12.9646","0.0004","15.2875","0.0004","16.3211","0.0012","90","","90","","90","","3234.8","0.3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Cl4 P2 Si -","- C10 H16 Cl4 P2 Si -","- C80 H128 Cl32 P16 Si8 -","8","1","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71073","MoKα","","0.0269","0.0242","","","0.0603","0.0614","","","","","","1.095","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334666","6.871","0.002","16.284","0.006","16.59","0.006","90","","101.94","0.004","90","","1816.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","tetrabromo(1,2-bis(dimethylphosphanyl)benzene-P,P')silicon(IV) dichloromethane solvate","","- C21 H34 Br8 Cl2 P4 Si2 -","- C21 H34 Br8 Cl2 P4 Si2 -","- C42 H68 Br16 Cl4 P8 Si4 -","2","0.5","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71075","MoKα","","0.0328","0.0299","","","0.0513","0.0523","","","","","","1.036","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334667","6.7173","0.001","8.6973","0.0013","8.9154","0.0013","88.954","0.006","89.753","0.006","86.672","0.007","519.89","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H28 Cl4 P4 Si -","- C10 H28 Cl4 P4 Si -","- C10 H28 Cl4 P4 Si -","1","0.5","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71075","MoKα","","0.0443","0.0333","","","0.0717","0.0759","","","","","","1.042","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334668","9.209","0.006","11.87","0.007","15.399","0.011","90","","105.188","0.013","90","","1624.5","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2-Bis(diethylphosphino)ethane-trichlorohydridosilicon(IV)","","- C10 H25 Cl3 P2 Si -","- C10 H25 Cl3 P2 Si -","- C40 H100 Cl12 P8 Si4 -","4","0.5","","William Levason; David Pugh; Gillian Reid","Phosphine and Diphosphine Complexes of Silicon(IV) Halides","Inorganic Chemistry","2013","52","","5185","5193","10.1021/ic400077z","","","0.71073","MoKα","","0.0941","0.074","","","0.1145","0.1225","","","","","","1.174","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334669","7.893","0.004","11.861","0.005","13.99","0.005","92.479","0.005","95.807","0.005","94.319","0.005","1297.6","1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Dy N7 O12 -","- C19 H26 Dy N7 O12 -","- C38 H52 Dy2 N14 O24 -","2","1","","Victoria E. Campbell; Régis Guillot; Eric Riviere; Pierre-Thomas Brun; Wolfgang Wernsdorfer; Talal Mallah","Subcomponent Self-Assembly of Rare-Earth Single-Molecule Magnets","Inorganic Chemistry","2013","52","","5194","5200","10.1021/ic400098c","","x-ray","0.71069","MoKα","","0.0446","0.0385","","","0.1022","0.1089","","","","","","1.098","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334670","15.9678","0.0004","8.0138","0.0002","21.4325","0.0005","90","","109.75","0.001","90","","2581.23","0.11","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 N7 O12 Tb -","- C19 H26 N7 O12 Tb -","- C76 H104 N28 O48 Tb4 -","4","1","","Victoria E. Campbell; Régis Guillot; Eric Riviere; Pierre-Thomas Brun; Wolfgang Wernsdorfer; Talal Mallah","Subcomponent Self-Assembly of Rare-Earth Single-Molecule Magnets","Inorganic Chemistry","2013","52","","5194","5200","10.1021/ic400098c","","x-ray","0.71073","MoKα","","0.0285","0.0232","","","0.0516","0.0565","","","","","","1.154","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334671","7.898","0.005","11.87","0.005","13.941","0.005","92.454","0.005","95.762","0.005","94.56","0.005","1294.5","1.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Ho N7 O12 -","- C19 H26 Ho N7 O12 -","- C38 H52 Ho2 N14 O24 -","2","1","","Victoria E. Campbell; Régis Guillot; Eric Riviere; Pierre-Thomas Brun; Wolfgang Wernsdorfer; Talal Mallah","Subcomponent Self-Assembly of Rare-Earth Single-Molecule Magnets","Inorganic Chemistry","2013","52","","5194","5200","10.1021/ic400098c","","x-ray","0.71069","MoKα","","0.06","0.0459","","","0.1014","0.1122","","","","","","1.167","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334672","7.9429","0.0005","11.9438","0.0006","13.857","0.0008","91.998","0.001","95.893","0.002","94.797","0.001","1301.81","0.13","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Er N7 O12 -","- C19 H26 Er N7 O12 -","- C38 H52 Er2 N14 O24 -","2","1","","Victoria E. Campbell; Régis Guillot; Eric Riviere; Pierre-Thomas Brun; Wolfgang Wernsdorfer; Talal Mallah","Subcomponent Self-Assembly of Rare-Earth Single-Molecule Magnets","Inorganic Chemistry","2013","52","","5194","5200","10.1021/ic400098c","","x-ray","0.71073","MoKα","","0.0388","0.0296","","","0.0676","0.0736","","","","","","1.072","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334673","8.0457","0.0009","23.211","0.003","32.381","0.004","90","","94.444","0.006","90","","6028.9","1.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H56 N17 O34 Y3 -","- C39 H56 N17 O34 Y3 -","- C156 H224 N68 O136 Y12 -","4","1","","Victoria E. Campbell; Régis Guillot; Eric Riviere; Pierre-Thomas Brun; Wolfgang Wernsdorfer; Talal Mallah","Subcomponent Self-Assembly of Rare-Earth Single-Molecule Magnets","Inorganic Chemistry","2013","52","","5194","5200","10.1021/ic400098c","","x-ray","0.71073","MoKα","","0.2249","0.0844","","","0.1783","0.238","","","","","","1.005","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334674","14.604","0.0003","10.2486","0.0002","15.9942","0.0003","90","","105.269","0.001","90","","2309.36","0.08","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H26 Cl4 Ga N2 O P Si2 -","- C13 H26 Cl4 Ga N2 O P Si2 -","- C52 H104 Cl16 Ga4 N8 O4 P4 Si8 -","4","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0795","0.0388","","","0.0743","0.087","","","","","","1.016","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334675","10.1628","0.0002","11.9467","0.0003","15.8593","0.0004","90","","90","","90","","1925.51","0.08","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","N,N-bis(trimethylsilyl)amino(isocyanato)phosphenium tetrachlorogallate","","- C7 H18 Cl4 Ga N2 O P Si2 -","- C7 H18 Cl4 Ga N2 O P Si2 -","- C28 H72 Cl16 Ga4 N8 O4 P4 Si8 -","4","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0253","0.0212","","","0.05","0.0511","","","","","","1.012","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334676","12.6909","0.0005","16.7821","0.0007","18.7192","0.0007","90","","90","","90","","3986.8","0.3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","N,N-bis(trimethylsilyl)amino(isothiocyanato)phosphenium tetrachlorogallate","","- C7 H18 Cl4 Ga N2 P S Si2 -","- C7 H18 Cl4 Ga N2 P S Si2 -","- C56 H144 Cl32 Ga8 N16 P8 S8 Si16 -","8","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0719","0.0333","","","0.0654","0.0723","","","","","","1.004","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334677","9.935","0.0005","9.935","0.0005","9.5741","0.0008","90","","90","","120","","818.4","0.09","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","Trimethylsilylisonitrile/trimethylsilylnitrile galliumtrichloride adduct","","- C4 H9 Cl3 Ga N Si -","- C4 H9 Cl3 Ga N Si -","- C12 H27 Cl9 Ga3 N3 Si3 -","3","0.333333","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0215","0.0195","","","0.035","0.0353","","","","","","0.943","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334678","11.9101","0.0006","11.8333","0.0006","16.849","0.0009","90","","98.97","0.002","90","","2345.6","0.2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","N,N-bis(trimethylsilyl)amino(trimethylsiloxy)phosphenium tetrachlorogallate","","- C9 H27 Cl4 Ga N O P Si3 -","- C9 H27 Cl4 Ga N O P Si3 -","- C36 H108 Cl16 Ga4 N4 O4 P4 Si12 -","4","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0877","0.0437","","","0.0876","0.0969","","","","","","0.956","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334679","14.6109","0.001","9.8655","0.0007","18.3744","0.0013","90","","108.271","0.002","90","","2515","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","N,N-bis(trimethylsilyl)amino(4-dimethylaminopyridyl)chlorophosphenium tetrachlorogallate","","- C13 H28 Cl5 Ga N3 P Si2 -","- C13 H28 Cl5 Ga N3 P Si2 -","- C52 H112 Cl20 Ga4 N12 P4 Si8 -","4","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0569","0.0324","","","0.0755","0.0813","","","","","","1.022","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334680","9.9817","0.0003","26.1792","0.0008","10.069","0.0003","90","","95.644","0.002","90","","2618.4","0.14","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","N,N-bis(trimethylsilyl)amino(4-dimethylaminopyridyl)azidophosphenium tetrachlorogallate","","- C13 H28 Cl4 Ga N6 P Si2 -","- C13 H28 Cl4 Ga N6 P Si2 -","- C52 H112 Cl16 Ga4 N24 P4 Si8 -","4","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0709","0.0347","","","0.0644","0.0758","","","","","","1.014","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334681","15.5311","0.0008","9.3799","0.0005","18.6699","0.0011","90","","111.377","0.003","90","","2532.7","0.2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","N,N-bis(trimethylsilyl)amino(4-dimethylaminopyridyl)isocyanatophosphenium tetrachlorogallate","","- C13.9 H28 Cl4.1 Ga N3.9 O0.9 P Si2 -","- C13.902 H28 Cl4.098 Ga N3.902 O0.902 P Si2 -","- C55.608 H112 Cl16.392 Ga4 N15.608 O3.608 P4 Si8 -","4","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0935","0.0403","","","0.0838","0.0939","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334682","15.8188","0.0002","10.8989","0.0001","14.8901","0.0002","90","","114.68","0.001","90","","2332.66","0.05","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl5 Ga N P Si2 -","- C12 H28 Cl5 Ga N P Si2 -","- C48 H112 Cl20 Ga4 N4 P4 Si8 -","4","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.035","0.0245","","","0.058","0.0619","","","","","","1.02","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334683","8.5667","0.0005","11.0589","0.0007","12.498","0.0008","78.778","0.003","85.855","0.003","83.855","0.003","1153.12","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H26 Cl5 Ga N P Si2 -","- C12 H26 Cl5 Ga N P Si2 -","- C24 H52 Cl10 Ga2 N2 P2 Si4 -","2","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0511","0.0354","","","0.0791","0.0872","","","","","","1.014","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334684","10.253","0.0003","19.3534","0.0006","12.369","0.0003","90","","102.907","0.001","90","","2392.37","0.12","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Cl4.03 Ga N3.91 P Si2 -","- C12 H28 Cl4.03 Ga N3.91 P Si2 -","- C48 H112 Cl16.12 Ga4 N15.64 P4 Si8 -","4","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0715","0.0357","","","0.0653","0.0758","","","","","","1.004","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334685","10.2687","0.0003","19.2857","0.0007","12.3933","0.0004","90","","102.9","0.002","90","","2392.41","0.14","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Cl4.13 Ga N3.61 P Si2 -","- C12 H28 Cl4.131 Ga N3.607 P Si2 -","- C48 H112 Cl16.524 Ga4 N14.428 P4 Si8 -","4","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0958","0.0456","","","0.0797","0.0883","","","","","","0.979","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334686","9.1605","0.0006","10.0806","0.0008","14.5753","0.0011","97.471","0.004","96.939","0.004","94.922","0.004","1317.67","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C15.5 H30 Cl4 Ga N4 P Si2 -","- C15.5 H30 Cl4 Ga N4 P Si2 -","- C31 H60 Cl8 Ga2 N8 P2 Si4 -","2","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0714","0.0388","","","0.0802","0.0933","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334687","10.2146","0.0002","19.1054","0.0004","12.4856","0.0002","90","","102.884","0.001","90","","2375.27","0.08","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H28 Cl4 Ga N2 O P Si2 -","- C13 H28 Cl4 Ga N2 O P Si2 -","- C52 H112 Cl16 Ga4 N8 O4 P4 Si8 -","4","1","","Christian Hering; Axel Schulz; Alexander Villinger","On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions","Inorganic Chemistry","2013","52","","5214","5225","10.1021/ic4001285","","","0.71073","MoKα","","0.0731","0.0364","","","0.0661","0.0756","","","","","","1.019","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334688","8.5089","0.0002","22.84","0.0018","15.8525","0.0003","90","","90.901","0.002","90","","3080.4","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cl2 Cu N6 O11 -","- C26 H34 Cl2 Cu N6 O11 -","- C104 H136 Cl8 Cu4 N24 O44 -","4","1","","Melissa Roger; Luís M. P. Lima; Mathieu Frindel; Carlos Platas-Iglesias; Jean-François Gestin; Rita Delgado; Véronique Patinec; Raphaël Tripier","Monopicolinate-dipicolyl Derivative of Triazacyclononane for Stable Complexation of Cu2+ and 64Cu2+","Inorganic Chemistry","2013","52","","5246","5259","10.1021/ic400174r","","x-ray","0.71073","MoKα","","0.0625","0.0522","","","0.1397","0.1444","","","","","","1.027","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4334689","11.642","0.008","13.47","0.009","13.904","0.009","90.65","0.07","101.89","0.08","94.52","0.09","2126","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(4'-phenylurea-2,2':6',2''-terpyridine)-(2,2':6',2''-terpyridine)- ruthenium(ii) hexafluorophospate hydrate","","","- C37 H31.5 F12 N8 O1.75 P2 Ru -","- C37 H28 F12 N8 O1.75 P2 Ru -","- C74 H56 F24 N16 O3.5 P4 Ru2 -","2","1","","Giorgio Baggi; Massimo Boiocchi; Carlo Ciarrocchi; Luigi Fabbrizzi","Enhancing the Anion Affinity of Urea-Based Receptors with a Ru(terpy)22+ Chromophore","Inorganic Chemistry","2013","52","","5273","5283","10.1021/ic400196a","","","0.71073","MoKα","","0.1597","0.11","","","0.2885","0.3393","","","","","","1.241","","","","has coordinates,has disorder","179449","2020-10-21","18:00:00",""
"4334690","41.204","0.008","18.401","0.004","32.503","0.007","90","","126.87","0.03","90","","19715","11","180","2","180","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C128 H224 Cl25 N17 Ti8 -","- C128 H224 Cl25 N17 Ti8 -","- C512 H896 Cl100 N68 Ti32 -","4","0.5","","Christian Lorber; Laure Vendier","Tight Encapsulation of a ""Naked"" Chloride in an Imidotitanium Hexanuclear Host","Inorganic Chemistry","2013","52","","4756","4758","10.1021/ic400211s","","x-ray","0.71073","MoKα","","0.1287","0.0518","","","0.1039","0.1145","","","","","","0.749","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334691","27.196","0.0011","17.12","0.0004","26.629","0.0009","90","","120.892","0.005","90","","10639.5","0.8","180","2","180","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","","","- C87 H134 Cl13 N7 Si2 Ti6 -","- C87 H134 Cl13 N7 Si2 Ti6 -","- C348 H536 Cl52 N28 Si8 Ti24 -","4","1","","Christian Lorber; Laure Vendier","Tight Encapsulation of a ""Naked"" Chloride in an Imidotitanium Hexanuclear Host","Inorganic Chemistry","2013","52","","4756","4758","10.1021/ic400211s","","x-ray","0.71073","MoKα","","0.0581","0.0415","","","0.0955","0.1071","","","","","","1.035","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334692","7.4536","0.0004","4.4838","0.0002","9.5466","0.0004","90","","90","","90","","319.05","0.03","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- D2 Ga Rb -","- D2 Ga Rb -","- D8 Ga4 Rb4 -","4","0.5","","Henrik Fahlquist; Dag Noréus; Magnus H. Sørby","Varying the Alkali-Metal Radii in (KxRb1-x)n[GaH2]n (0 <=x<= 1) Reorients a Stable Polyethylene-Structured [GaH2]nn- Anionic Chain","Inorganic Chemistry","2013","52","","4771","4773","10.1021/ic400224a","powder diffraction","neutron","1.5556","ConstantWavelengthNeutronDiffraction","","","","","","","","","4.7348","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4334693","5.58816","0.00013","12.2298","0.0003","4.55477","0.00011","90","","90","","90","","311.282","0.013","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","","Rubidiumpotassiumdigalliumtetrahydride","","- Ga H2 K0.5 Rb0.5 -","- D2 Ga K0.48584 Rb0.51416 -","- D8 Ga4 K1.94336 Rb2.05664 -","4","0.25","","Henrik Fahlquist; Dag Noréus; Magnus H. Sørby","Varying the Alkali-Metal Radii in (KxRb1-x)n[GaH2]n (0 <=x<= 1) Reorients a Stable Polyethylene-Structured [GaH2]nn- Anionic Chain","Inorganic Chemistry","2013","52","","4771","4773","10.1021/ic400224a","powder diffraction","neutron","1.5557","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.1481","","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4334694","3.6653","0.0003","9.6754","0.0012","11.3399","0.0011","110.236","0.01","96.556","0.007","100.513","0.008","364.08","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-(bis(mu-6-thioguaninato-N,S,S)cobalt(II) dihydrate)","","- C10 H12 Co N10 O2 S2 -","- C10 H8 Co N10 O2 S2 -","- C10 H8 Co N10 O2 S2 -","1","0.5","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora","Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","5290","5299","10.1021/ic400237h","","","1.54184","CuKα","","0.046","0.0408","","","0.1103","0.1162","","","","","","1.075","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334695","3.738","0.0004","9.3077","0.0012","10.9407","0.0011","106.416","0.01","99.161","0.008","99.614","0.01","351.33","0.07","363","2","363","2","","","","","","","","5","P -1","-P 1","2","","catena-bis(mu-6-thioguaninato-N,S,S)cobalt(II)","","- C10 H8 Co N10 S2 -","- C10 H8 Co N10 S2 -","- C10 H8 Co N10 S2 -","1","0.5","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora","Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","5290","5299","10.1021/ic400237h","","","1.54184","CuKα","","0.0571","0.0463","","","0.1146","0.1264","","","","","","1.074","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334696","23.97","0.004","23.97","0.004","6.6297","0.0011","90","","90","","120","","3298.8","1","120","2","120","2","","","","","","","","6","P 3","P 3","143","","[tris(6-thioguanosine-k2N,S)cobalt(III)] dinitrate dihydrate","","- C30 H43 Co N17 O17 S3 -","- C30 H43 Co N17 O17 S3 -","- C90 H129 Co3 N51 O51 S9 -","3","1","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora","Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","5290","5299","10.1021/ic400237h","","","0.6889","synchrotron","","0.1166","0.1022","","","0.2615","0.2785","","","","","","1.163","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334697","18.815","0.005","18.815","0.005","6.5787","0.0018","90","","90","","120","","2016.9","0.9","120","2","120","2","","","","","","","","6","P 3","P 3","143","","[tris(6-thioguanosinato-k2N,S)cobalt(III)] sesquihydrate","","- C30 H39 Co N15 O13.5 S3 -","- C30 H39 Co N15 O13.5 S3 -","- C60 H78 Co2 N30 O27 S6 -","2","0.666667","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora","Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","5290","5299","10.1021/ic400237h","","","0.6889","synchrotron","","0.0717","0.0557","","","0.1542","0.1655","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334698","19.225","0.003","19.225","0.003","6.618","0.002","90","","90","","120","","2118.3","0.8","120","2","120","2","","","","","","","","6","P 3","P 3","143","","[bis(6-thioguanosine-k2N,S)(6-thioguanosinato-k2N,S)cobalt(III)] sulphate trihydrate","","- C30 H42 Co N15 O19 S4 -","- C30 Co N15 O12 S3 -","- C60 Co2 N30 O24 S6 -","2","0.666667","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora","Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","5290","5299","10.1021/ic400237h","","","0.702","synchrotron","","0.2203","0.1769","","","0.4291","0.4687","","","","","","1.711","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334699","4.0998","0.0011","6.0034","0.0016","8.692","0.002","90","","90","","90","","213.93","0.09","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Al0.87 Ge2.13 Tb2 -","- Al0.875 Ge2.125 Tb2 -","- Al1.75 Ge4.25 Tb4 -","2","0.125","","Jiliang Zhang; Svilen Bobev","Correlations between Chemical Bonding and Magnetic Exchange Interactions: Synthesis, Crystal Structures, and Magnetic Properties of the New Family RE2AlGe2 (RE = Tb-Tm, Lu)","Inorganic Chemistry","2013","52","","5307","5315","10.1021/ic400254v","","","0.71073","MoKα","","0.0199","0.0174","","","0.0396","0.0412","","","","","","1.086","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334700","4.0698","0.0005","5.9827","0.0007","8.6051","0.001","90","","90","","90","","209.52","0.04","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Al0.8 Dy2 Ge2.2 -","- Al0.795 Dy2 Ge2.205 -","- Al1.59 Dy4 Ge4.41 -","2","0.125","","Jiliang Zhang; Svilen Bobev","Correlations between Chemical Bonding and Magnetic Exchange Interactions: Synthesis, Crystal Structures, and Magnetic Properties of the New Family RE2AlGe2 (RE = Tb-Tm, Lu)","Inorganic Chemistry","2013","52","","5307","5315","10.1021/ic400254v","","","0.71073","MoKα","","0.0193","0.0189","","","0.0439","0.0439","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334701","4.0572","0.0012","6.0113","0.0017","8.538","0.002","90","","90","","90","","208.23","0.1","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Al0.77 Ge2.23 Ho2 -","- Al0.768 Ge2.232 Ho2 -","- Al1.536 Ge4.464 Ho4 -","2","0.125","","Jiliang Zhang; Svilen Bobev","Correlations between Chemical Bonding and Magnetic Exchange Interactions: Synthesis, Crystal Structures, and Magnetic Properties of the New Family RE2AlGe2 (RE = Tb-Tm, Lu)","Inorganic Chemistry","2013","52","","5307","5315","10.1021/ic400254v","","","0.71073","MoKα","","0.0147","0.0141","","","0.0371","0.0373","","","","","","1.145","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334702","4.0349","0.0006","6.0513","0.001","8.4456","0.0013","90","","90","","90","","206.21","0.06","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Al0.67 Er2 Ge2.33 -","- Al0.669 Er2 Ge2.331 -","- Al1.338 Er4 Ge4.662 -","2","0.125","","Jiliang Zhang; Svilen Bobev","Correlations between Chemical Bonding and Magnetic Exchange Interactions: Synthesis, Crystal Structures, and Magnetic Properties of the New Family RE2AlGe2 (RE = Tb-Tm, Lu)","Inorganic Chemistry","2013","52","","5307","5315","10.1021/ic400254v","","","0.71073","MoKα","","0.0155","0.0146","","","0.033","0.0331","","","","","","1.238","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334703","4.0148","0.0008","6.0467","0.0011","8.3818","0.0016","90","","90","","90","","203.48","0.07","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Al0.63 Ge2.37 Tm2 -","- Al0.63 Ge2.37 Tm2 -","- Al1.26 Ge4.74 Tm4 -","2","0.125","","Jiliang Zhang; Svilen Bobev","Correlations between Chemical Bonding and Magnetic Exchange Interactions: Synthesis, Crystal Structures, and Magnetic Properties of the New Family RE2AlGe2 (RE = Tb-Tm, Lu)","Inorganic Chemistry","2013","52","","5307","5315","10.1021/ic400254v","","","0.71073","MoKα","","0.0228","0.0213","","","0.0524","0.053","","","","","","1.245","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334704","4.0142","0.0014","6.012","0.002","8.349","0.003","90","","90","","90","","201.49","0.12","200","2","200","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Al0.79 Ge2.22 Lu2 -","- Al0.785 Ge2.215 Lu2 -","- Al1.57 Ge4.43 Lu4 -","2","0.125","","Jiliang Zhang; Svilen Bobev","Correlations between Chemical Bonding and Magnetic Exchange Interactions: Synthesis, Crystal Structures, and Magnetic Properties of the New Family RE2AlGe2 (RE = Tb-Tm, Lu)","Inorganic Chemistry","2013","52","","5307","5315","10.1021/ic400254v","","","0.71073","MoKα","","0.0146","0.0136","","","0.0305","0.0307","","","","","","1.178","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334705","11.336","0.005","14.15","0.005","18.252","0.005","90","0.005","91.852","0.005","90","0.005","2926.2","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Mo N4 O S6 -","- C20 H40 Mo N4 O S6 -","- C80 H160 Mo4 N16 O4 S24 -","4","1","","Golam Moula; Moumita Bose; Sabyasachi Sarkar","Replica of a Fishy Enzyme: Structure-Function Analogue of Trimethylamine-N-Oxide Reductase","Inorganic Chemistry","2013","52","","5316","5327","10.1021/ic4002576","","","0.71069","MoKα","","0.0616","0.0399","","","0.099","0.1476","","","","","","1.143","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334706","9.408","0.005","11.503","0.005","31.071","0.005","90","0.005","91.996","0.005","90","0.005","3360","2","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C26 H46 Mo N4 O5 S4 -","- C26 H46 Mo N4 O5 S4 -","- C104 H184 Mo4 N16 O20 S16 -","4","2","","Golam Moula; Moumita Bose; Sabyasachi Sarkar","Replica of a Fishy Enzyme: Structure-Function Analogue of Trimethylamine-N-Oxide Reductase","Inorganic Chemistry","2013","52","","5316","5327","10.1021/ic4002576","","","0.71069","MoKα","","0.095","0.0669","","","0.1662","0.2442","","","","","","1.097","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334707","8.605","0.005","30.762","0.005","11.638","0.005","90","0.005","90.002","0.005","90","0.005","3081","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Mo N4 O S4 -","- C26 H44 Mo N4 O S4 -","- C104 H176 Mo4 N16 O4 S16 -","4","1","","Golam Moula; Moumita Bose; Sabyasachi Sarkar","Replica of a Fishy Enzyme: Structure-Function Analogue of Trimethylamine-N-Oxide Reductase","Inorganic Chemistry","2013","52","","5316","5327","10.1021/ic4002576","","","0.71069","MoKα","","0.1496","0.1282","","","0.2992","0.3076","","","","","","1.223","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334708","8.608","0.005","30.806","0.005","12.012","0.005","90","0.005","92.689","0.005","90","0.005","3182","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H46 Mo N4 O S4 -","- C27 H46 Mo N4 O S4 -","- C108 H184 Mo4 N16 O4 S16 -","4","1","","Golam Moula; Moumita Bose; Sabyasachi Sarkar","Replica of a Fishy Enzyme: Structure-Function Analogue of Trimethylamine-N-Oxide Reductase","Inorganic Chemistry","2013","52","","5316","5327","10.1021/ic4002576","","","0.71069","MoKα","","0.1707","0.0983","","","0.1901","0.2323","","","","","","1.068","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334709","13.625","0.0015","15.8477","0.0018","16.5679","0.0019","101.422","0.001","101.668","0.001","90.377","0.001","3430.1","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H43 Cl3 F3 Ir O4 P2 S -","- C29 H43 Cl3 F3 Ir O4 P2 S -","- C116 H172 Cl12 F12 Ir4 O16 P8 S4 -","4","2","","Miguel A. Esteruelas; Montserrat Oliván; Andrea Vélez","Xantphos-Type Complexes of Group 9: Rhodium versus Iridium","Inorganic Chemistry","2013","52","","5339","5349","10.1021/ic4002658","","","0.71073","MoKα","","0.0792","0.044","","","0.0749","0.0862","","","","","","0.948","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334710","10.5402","0.0017","16.299","0.003","16.6","0.003","90","","105.855","0.002","90","","2743.3","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Cl O P2 Rh -","- C27 H40 Cl O P2 Rh -","- C108 H160 Cl4 O4 P8 Rh4 -","4","1","","Miguel A. Esteruelas; Montserrat Oliván; Andrea Vélez","Xantphos-Type Complexes of Group 9: Rhodium versus Iridium","Inorganic Chemistry","2013","52","","5339","5349","10.1021/ic4002658","","","0.71073","MoKα","","0.1486","0.0496","","","0.0821","0.1006","","","","","","0.826","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334711","34.917","0.003","12.1423","0.001","14.2955","0.0011","90","","113.114","0.001","90","","5574.4","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H42 Cl Ir O P2 -","- C27 H42 Cl Ir O P2 -","- C216 H336 Cl8 Ir8 O8 P16 -","8","1","","Miguel A. Esteruelas; Montserrat Oliván; Andrea Vélez","Xantphos-Type Complexes of Group 9: Rhodium versus Iridium","Inorganic Chemistry","2013","52","","5339","5349","10.1021/ic4002658","","","0.71073","MoKα","","0.0802","0.0586","","","0.114","0.1189","","","","","","1.234","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334712","3.5631","0.0006","12.872","0.003","12.876","0.002","60.098","0.011","88.407","0.012","88.42","0.013","511.67","0.18","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- B7 Ca9 F2 Li5 O21 -","- B7 Ca9 F2 Li5 O21 -","- B7 Ca9 F2 Li5 O21 -","1","1","","Hongwei Yu; Hongping Wu; Shilie Pan; Ying Wang; Zhihua Yang; Xin Su","New Salt-Inclusion Borate, Li3Ca9(BO3)7.2[LiF]: A Promising UV NLO Material with the Coplanar and High Density BO3 Triangles","Inorganic Chemistry","2013","52","","5359","5365","10.1021/ic4002779","","","0.71073","MoKα","","0.0395","0.0338","","","0.0675","0.0712","","","","","","1.024","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334713","8.4145","0.0002","32.4067","0.0014","6.561","0.0001","93.383","0.005","106.376","0.004","89.798","0.006","1713.36","0.1","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H7 Br N Ni2 S21 -","- C17 H7 Br N Ni2 S21 -","- C34 H14 Br2 N2 Ni4 S42 -","2","1","","Tetsuro Kusamoto; Hiroshi M. Yamamoto; Naoya Tajima; Yugo Oshima; Satoshi Yamashita; Reizo Kato","Bilayer Mott System with Cation...Anion Supramolecular Interactions Based on a Nickel Dithiolene Anion Radical: Coexistence of Ferro- and Antiferromagnetic Anion Layers and Large Negative Magnetoresistance","Inorganic Chemistry","2013","52","","4759","4761","10.1021/ic400285a","","","0.71073","MoKα","","","0.0318","","","","0.0746","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334714","22.93","0.005","13.253","0.003","18.056","0.004","90","","118.678","0.011","90","","4814","1.9","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C32 H38 Cl2 N4 O27 Pt2 S2 -","- C32 H38 Cl2 N4 O27 Pt2 S2 -","- C128 H152 Cl8 N16 O108 Pt8 S8 -","4","1","","Takaaki Tsuji; Naoto Kuwamura; Nobuto Yoshinari; Takumi Konno","Synthesis and Coordination Behavior of a Bipyridine Platinum(II) Complex with Thioglucose","Inorganic Chemistry","2013","52","","5350","5358","10.1021/ic400287g","","","0.71075","MoKα","","0.0321","0.0257","","","0.0495","0.0522","","","","","","0.995","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334715","9.983","0.002","10.5651","0.0015","12.121","0.002","67.97","0.012","72.291","0.016","66.354","0.012","1067.6","0.3","296","2","296","2","","","","","","","","8","P 1","P 1","1","","","","- C32 H38 Cl2 Cu N4 O20 Pt S2 -","- C32 H38 Cl2 Cu N4 O20 Pt S2 -","- C32 H38 Cl2 Cu N4 O20 Pt S2 -","1","1","","Takaaki Tsuji; Naoto Kuwamura; Nobuto Yoshinari; Takumi Konno","Synthesis and Coordination Behavior of a Bipyridine Platinum(II) Complex with Thioglucose","Inorganic Chemistry","2013","52","","5350","5358","10.1021/ic400287g","","","0.71069","MoKα","","0.0254","0.0254","","","0.0652","0.0653","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4334716","6.1819","0.0006","21.5755","0.0019","29.5","0.003","90","","90","","90","","3934.6","0.7","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 N6 Ni O18 Pt S2 -","- C32 H38 N6 Ni O18 Pt S2 -","- C128 H152 N24 Ni4 O72 Pt4 S8 -","4","1","","Takaaki Tsuji; Naoto Kuwamura; Nobuto Yoshinari; Takumi Konno","Synthesis and Coordination Behavior of a Bipyridine Platinum(II) Complex with Thioglucose","Inorganic Chemistry","2013","52","","5350","5358","10.1021/ic400287g","","","0.71075","MoKα","","0.041","0.0361","","","0.0586","0.0597","","","","","","1.101","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334717","20.588","0.0013","20.588","0.0013","14.8432","0.001","90","","90","","90","","6291.5","0.7","200","2","200","2","","","","","","","","8","P 41 21 2","P 4abw 2nw","92","","","","- C44 H58 Cd Cl2 N4 O34 Pt2 S4 -","- C44 H58 Cd Cl2 N4 O34 Pt2 S4 -","- C176 H232 Cd4 Cl8 N16 O136 Pt8 S16 -","4","0.5","","Takaaki Tsuji; Naoto Kuwamura; Nobuto Yoshinari; Takumi Konno","Synthesis and Coordination Behavior of a Bipyridine Platinum(II) Complex with Thioglucose","Inorganic Chemistry","2013","52","","5350","5358","10.1021/ic400287g","","","0.71075","MoKα","","0.0418","0.0383","","","0.0746","0.0754","","","","","","1.253","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334718","11.572","0.003","5.149","0.002","16.697","0.005","90","","101.295","0.008","90","","975.6","0.5","173","","173","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H26 Cu N4 O5 -","- C19 H22 Cu N4 O5 -","- C38 H44 Cu2 N8 O10 -","2","0.5","","Tatsunari Inoue; Katsunori Yamanishi; Mitsuru Kondo","Solvent-Soluble Coordination Polymer That Reconstructs Cyclic Frameworks That Trap a Kinetically Labile [Cu(CO3)2]2- Unit","Inorganic Chemistry","2013","52","","4765","4767","10.1021/ic400315g","","","0.7107","MoKa/","","","0.0841","","","","0.1873","","","","","","1.01","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334719","12.148","0.002","14.288","0.003","16.746","0.003","107.276","0.004","106.641","0.003","100.652","0.003","2540.9","0.8","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C86.5 H136 Cu5 N16 O23.5 -","- C86.5 H100 Cu5 N16 O23.5 -","- C86.5 H100 Cu5 N16 O23.5 -","1","0.5","","Tatsunari Inoue; Katsunori Yamanishi; Mitsuru Kondo","Solvent-Soluble Coordination Polymer That Reconstructs Cyclic Frameworks That Trap a Kinetically Labile [Cu(CO3)2]2- Unit","Inorganic Chemistry","2013","52","","4765","4767","10.1021/ic400315g","","","0.7107","MoKa/","","","0.0649","","","","0.1558","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334720","22.7939","0.0011","23.1636","0.0009","15.0358","0.0007","90","","123.262","0.0013","90","","6638.1","0.5","173","","173","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C101 H156 Cu5 N16 O19 -","- C101 H108 Cu5 N16 O19 -","- C202 H216 Cu10 N32 O38 -","2","0.25","","Tatsunari Inoue; Katsunori Yamanishi; Mitsuru Kondo","Solvent-Soluble Coordination Polymer That Reconstructs Cyclic Frameworks That Trap a Kinetically Labile [Cu(CO3)2]2- Unit","Inorganic Chemistry","2013","52","","4765","4767","10.1021/ic400315g","","","0.7107","MoKa/","","","0.0614","","","","0.1517","","","","","","1.006","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334721","9.6949","0.0008","6.0949","0.0004","13.7832","0.0009","90","","91.793","0.004","90","","814.04","0.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 Cu Na2 O9 -","- C2 H6 Cu Na2 O9 -","- C8 H24 Cu4 Na8 O36 -","4","1","","Tatsunari Inoue; Katsunori Yamanishi; Mitsuru Kondo","Solvent-Soluble Coordination Polymer That Reconstructs Cyclic Frameworks That Trap a Kinetically Labile [Cu(CO3)2]2- Unit","Inorganic Chemistry","2013","52","","4765","4767","10.1021/ic400315g","","","0.7107","MoKa/","","","0.0389","","","","0.0983","","","","","","1.016","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334722","5.2714","0.0008","10.0402","0.0011","5.507","0.0008","90","","101.326","0.01","90","","285.79","0.07","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- I O7 V Zn2 -","- I O7 V Zn2 -","- I2 O14 V2 Zn4 -","2","1","","Bing-Ping Yang; Chun-Li Hu; Xiang Xu; Chao Huang; Jiang-Gao Mao","Zn2(VO4)(IO3): A Novel Polar Zinc(II) Vanadium(V) Iodate with a Large SHG Response","Inorganic Chemistry","2013","52","","5378","5384","10.1021/ic4003324","","","0.71073","MoKα","","0.0245","0.0242","","","0.0614","0.0614","","","","","","1.088","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334723","11.0676","0.0008","11.0757","0.0007","18.9461","0.0014","90","","90","","90","","2322.4","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H37 Co N4 O2 -","- C20 H38 Co N4 O2 -","- C80 H152 Co4 N16 O8 -","4","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Synthesis, Structure, and Solution Reduction Reactions of Volatile and Thermally Stable Mid to Late First Row Transition Metal Complexes Containing Hydrazonate Ligands","Inorganic Chemistry","2013","52","","5385","5394","10.1021/ic400337m","","","0.71073","MoKα","","0.0401","0.0386","","","0.1335","0.1352","","","","","","1.237","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334724","10.7214","0.0006","11.3118","0.0006","34.7526","0.0019","90","","90","","90","","4214.7","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H38 N5 Ni O2 -","- C18 H34 N4 Ni O2 -","- C144 H272 N32 Ni8 O16 -","8","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Synthesis, Structure, and Solution Reduction Reactions of Volatile and Thermally Stable Mid to Late First Row Transition Metal Complexes Containing Hydrazonate Ligands","Inorganic Chemistry","2013","52","","5385","5394","10.1021/ic400337m","","","0.71073","MoKα","","0.0411","0.0327","","","0.1446","0.1534","","","","","","1.266","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334725","10.7993","0.0017","11.3336","0.0018","34.616","0.005","90","","90","","90","","4236.8","1.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H32 Co N4 O2 -","- C18 H34 Co N4 O2 -","- C144 H272 Co8 N32 O16 -","8","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Synthesis, Structure, and Solution Reduction Reactions of Volatile and Thermally Stable Mid to Late First Row Transition Metal Complexes Containing Hydrazonate Ligands","Inorganic Chemistry","2013","52","","5385","5394","10.1021/ic400337m","","","0.71073","MoKα","","0.0488","0.0372","","","0.1327","0.1445","","","","","","1.126","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334726","31.3403","0.0007","8.0896","0.0002","11.1323","0.0003","90","","90","","90","","2822.38","0.12","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H51 N6 Ni1.5 O3 -","- C24 H45 N6 Ni1.5 O3 -","- C96 H180 N24 Ni6 O12 -","4","1","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Synthesis, Structure, and Solution Reduction Reactions of Volatile and Thermally Stable Mid to Late First Row Transition Metal Complexes Containing Hydrazonate Ligands","Inorganic Chemistry","2013","52","","5385","5394","10.1021/ic400337m","","","0.71073","MoKα","","0.0264","0.0244","","","0.0704","0.0736","","","","","","0.487","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334727","31.287","0.002","8.1317","0.0006","11.1558","0.0008","90","","90","","90","","2838.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H30 Co N4 O2 -","- C16 H30 Co N4 O2 -","- C96 H180 Co6 N24 O12 -","6","1.5","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Synthesis, Structure, and Solution Reduction Reactions of Volatile and Thermally Stable Mid to Late First Row Transition Metal Complexes Containing Hydrazonate Ligands","Inorganic Chemistry","2013","52","","5385","5394","10.1021/ic400337m","","","0.71073","MoKα","","0.0357","0.0298","","","0.0687","0.071","","","","","","1.047","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334728","11.2423","0.0009","8.1136","0.0007","31.476","0.003","90","","90","","90","","2871.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H30 Fe N4 O2 -","- C16 H30 Fe N4 O2 -","- C96 H180 Fe6 N24 O12 -","6","3","","Lakmal C. Kalutarage; Philip D. Martin; Mary Jane Heeg; Charles H. Winter","Synthesis, Structure, and Solution Reduction Reactions of Volatile and Thermally Stable Mid to Late First Row Transition Metal Complexes Containing Hydrazonate Ligands","Inorganic Chemistry","2013","52","","5385","5394","10.1021/ic400337m","","","0.71073","MoKα","","0.0798","0.0792","","","0.2792","0.2796","","","","","","2.567","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334729","9.3866","0.0003","10.9572","0.0003","16.3408","0.0005","90","","91.475","0.003","90","","1680.11","0.09","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H30 F6 N6 O8 Ru S4 -","- C25 H30 F6 N6 O8 Ru S4 -","- C50 H60 F12 N12 O16 Ru2 S8 -","2","1","","Vivienne Leigh; Wadi Ghattas; Ralte Lalrempuia; Helge Müller-Bunz; Mary T. Pryce; Martin Albrecht","Synthesis, Photo-, and Electrochemistry of Ruthenium Bis(bipyridine) Complexes Comprising a N-heterocyclic Carbene Ligand","Inorganic Chemistry","2013","52","","5395","5402","10.1021/ic400347r","","","0.71073","MoKα","","0.0357","0.0335","","","0.0814","0.0829","","","","","","1.063","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334730","11.9352","0.0004","10.9933","0.0003","16.9445","0.0004","90","","96.926","0.002","90","","2207.02","0.11","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl F6 N3 P Ru -","- C19 H23 Cl F6 N3 P Ru -","- C76 H92 Cl4 F24 N12 P4 Ru4 -","4","1","","Vivienne Leigh; Wadi Ghattas; Ralte Lalrempuia; Helge Müller-Bunz; Mary T. Pryce; Martin Albrecht","Synthesis, Photo-, and Electrochemistry of Ruthenium Bis(bipyridine) Complexes Comprising a N-heterocyclic Carbene Ligand","Inorganic Chemistry","2013","52","","5395","5402","10.1021/ic400347r","","","0.71073","MoKα","","0.0493","0.0386","","","0.1009","0.1055","","","","","","1.062","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334731","15.2745","0.001","7.6639","0.0004","21.9287","0.0014","90","","110.075","0.002","90","","2411.1","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 Mo N3 O3 -","- C25 H27 Mo N3 O3 -","- C100 H108 Mo4 N12 O12 -","4","1","","Isaac R. Corn; Pablo D. Astudillo-Sánchez; Michael J. Zdilla; Phillip E. Fanwick; Michael J. Shaw; Jeffrey T. Miller; Dennis H. Evans; Mahdi M. Abu-Omar","Synthesis and Electrochemical Reactivity of Molybdenum Dicarbonyl Supported by a Redox-Active α-Diimine Ligand","Inorganic Chemistry","2013","52","","5457","5463","10.1021/ic400348j","","","0.71073","MO-Kα","","0.094","0.071","","","0.181","0.204","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334732","15.4335","0.0011","8.9648","0.0007","16.7602","0.0013","90","","92.03","0.006","90","","2317.5","0.3","150","0.02","150","0.02","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H56 Mo N4 O2 -","- C46 H56 Mo N4 O2 -","- C92 H112 Mo2 N8 O4 -","2","0.5","","Isaac R. Corn; Pablo D. Astudillo-Sánchez; Michael J. Zdilla; Phillip E. Fanwick; Michael J. Shaw; Jeffrey T. Miller; Dennis H. Evans; Mahdi M. Abu-Omar","Synthesis and Electrochemical Reactivity of Molybdenum Dicarbonyl Supported by a Redox-Active α-Diimine Ligand","Inorganic Chemistry","2013","52","","5457","5463","10.1021/ic400348j","","","1.54184","CU-Kα","","0.075","0.069","","","0.186","0.192","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334733","11.0992","0.0003","11.18","0.0005","17.421","0.0008","101.38","0.002","95.657","0.003","117.054","0.002","1842.94","0.14","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Mo N4 O2 -","- C42 H48 Mo N4 O2 -","- C84 H96 Mo2 N8 O4 -","2","1","","Isaac R. Corn; Pablo D. Astudillo-Sánchez; Michael J. Zdilla; Phillip E. Fanwick; Michael J. Shaw; Jeffrey T. Miller; Dennis H. Evans; Mahdi M. Abu-Omar","Synthesis and Electrochemical Reactivity of Molybdenum Dicarbonyl Supported by a Redox-Active α-Diimine Ligand","Inorganic Chemistry","2013","52","","5457","5463","10.1021/ic400348j","","","0.71073","MO-Kα","","0.067","0.045","","","0.106","0.115","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334734","8.4968","0.0005","20.443","0.0012","28.4906","0.0013","90","","90","","90","","4948.8","0.5","150","0.02","150","0.02","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H28 Mo N2 O4 -","- C26 H28 Mo N2 O4 -","- C208 H224 Mo8 N16 O32 -","8","1","","Isaac R. Corn; Pablo D. Astudillo-Sánchez; Michael J. Zdilla; Phillip E. Fanwick; Michael J. Shaw; Jeffrey T. Miller; Dennis H. Evans; Mahdi M. Abu-Omar","Synthesis and Electrochemical Reactivity of Molybdenum Dicarbonyl Supported by a Redox-Active α-Diimine Ligand","Inorganic Chemistry","2013","52","","5457","5463","10.1021/ic400348j","","","1.54184","CU-Kα","","0.063","0.057","","","0.158","0.167","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334735","8.427","0.005","17.874","0.005","20.132","0.005","90","","90","","90","","3032","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 Co N5 -","- C33 H42 Co N5 -","- C132 H168 Co4 N20 -","4","1","","Crisita Carmen Hojilla Atienza; Carsten Milsmann; Scott P. Semproni; Zoë R. Turner; Paul J. Chirik","Reversible Carbon-Carbon Bond Formation Induced by Oxidation and Reduction at a Redox-Active Cobalt Complex","Inorganic Chemistry","2013","52","","5403","5417","10.1021/ic400352r","","","0.71073","MoKα","","0.0313","0.0269","","","0.0622","0.0705","","","","","","1","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334736","13.552","0.002","17.132","0.003","19.656","0.005","102.117","0.004","94.45","0.005","113.268","0.002","4033","1.4","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H112 Cl2 Co2 N6 O -","- C80 H112 Cl2 Co2 N6 O -","- C160 H224 Cl4 Co4 N12 O2 -","2","1","","Crisita Carmen Hojilla Atienza; Carsten Milsmann; Scott P. Semproni; Zoë R. Turner; Paul J. Chirik","Reversible Carbon-Carbon Bond Formation Induced by Oxidation and Reduction at a Redox-Active Cobalt Complex","Inorganic Chemistry","2013","52","","5403","5417","10.1021/ic400352r","","","0.71073","MoKα","","0.1089","0.0807","","","0.2419","0.2633","","","","","","1.101","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334737","10.651","0.005","16.597","0.005","23.856","0.005","90","","95.023","0.005","90","","4201","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H116 Co2 N8 O2 -","- C94 H116 Co2 N8 O2 -","- C188 H232 Co4 N16 O4 -","2","0.5","","Crisita Carmen Hojilla Atienza; Carsten Milsmann; Scott P. Semproni; Zoë R. Turner; Paul J. Chirik","Reversible Carbon-Carbon Bond Formation Induced by Oxidation and Reduction at a Redox-Active Cobalt Complex","Inorganic Chemistry","2013","52","","5403","5417","10.1021/ic400352r","","","1.54184","CuKα","","0.0531","0.0424","","","0.1099","0.1164","","","","","","1.026","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334738","10.9791","0.0002","12.6017","0.0003","17.6128","0.0005","86.624","0.002","73.878","0.002","80.764","0.002","2310.38","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H124 Co2 N6 S2 -","- C108 H124 Co2 N6 S2 -","- C108 H124 Co2 N6 S2 -","1","0.5","","Crisita Carmen Hojilla Atienza; Carsten Milsmann; Scott P. Semproni; Zoë R. Turner; Paul J. Chirik","Reversible Carbon-Carbon Bond Formation Induced by Oxidation and Reduction at a Redox-Active Cobalt Complex","Inorganic Chemistry","2013","52","","5403","5417","10.1021/ic400352r","","","1.54178","CuKα","","0.0641","0.0439","","","0.0958","0.1049","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334739","20.2935","0.0013","14.2567","0.0009","25.4502","0.0016","90","","102.675","0.002","90","","7183.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H96 Br2 Co2 N6 -","- C78 H96 Br2 Co2 N6 -","- C312 H384 Br8 Co8 N24 -","4","1","","Crisita Carmen Hojilla Atienza; Carsten Milsmann; Scott P. Semproni; Zoë R. Turner; Paul J. Chirik","Reversible Carbon-Carbon Bond Formation Induced by Oxidation and Reduction at a Redox-Active Cobalt Complex","Inorganic Chemistry","2013","52","","5403","5417","10.1021/ic400352r","","","0.71073","MoKα","","0.0674","0.0474","","","0.1112","0.1204","","","","","","1.104","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334740","8.457","0.005","17.761","0.005","20.141","0.005","90","","90","","90","","3025","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H43 Co N4 O -","- C33 H43 Co N4 O -","- C132 H172 Co4 N16 O4 -","4","1","","Crisita Carmen Hojilla Atienza; Carsten Milsmann; Scott P. Semproni; Zoë R. Turner; Paul J. Chirik","Reversible Carbon-Carbon Bond Formation Induced by Oxidation and Reduction at a Redox-Active Cobalt Complex","Inorganic Chemistry","2013","52","","5403","5417","10.1021/ic400352r","","","0.71073","MoKα","","0.0731","0.0463","","","0.0799","0.0869","","","","","","0.999","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334741","15.345","0.001","26.997","0.001","37.335","0.002","90","","90","","90","","15466.7","1.4","100","2","100","2","","","","","","","","2","C 2 2 21","C 2c 2","20","","","","- C92 F36 -","- C92 F36 -","- C736 F288 -","8","1","","Shangfeng Yang; Tao Wei; Nadezhda B. Tamm; Erhard Kemnitz; Sergey I. Troyanov","Trifluoromethyl and Chloro Derivatives of a Higher Fullerene D2-C80(2): C80(CF3)12 and C80Cl28","Inorganic Chemistry","2013","52","","4768","4770","10.1021/ic400358e","","","0.88561","synchrotron","","0.0543","0.0486","","","0.122","0.128","","","","","","1.001","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334742","14.511","0.001","43.534","0.003","20.824","0.001","90","","98.605","0.008","90","","13006.9","1.4","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C80 Cl28.15 -","- C80 Cl28.155 -","- C640 Cl225.24 -","8","2","","Shangfeng Yang; Tao Wei; Nadezhda B. Tamm; Erhard Kemnitz; Sergey I. Troyanov","Trifluoromethyl and Chloro Derivatives of a Higher Fullerene D2-C80(2): C80(CF3)12 and C80Cl28","Inorganic Chemistry","2013","52","","4768","4770","10.1021/ic400358e","","","0.87933","synchrotron","","0.0664","0.0631","","","0.1447","0.1474","","","","","","1.018","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334743","6.95","0.003","7.907","0.004","13.35","0.007","90.16","0.005","92.947","0.005","92.921","0.006","731.7","0.6","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Fe N O6 -","- C12 H15 Fe N O6 -","- C24 H30 Fe2 N2 O12 -","2","1","","Bo Li; Samuel J. Kyran; Andrew D. Yeung; Ashfaq A. Bengali; Donald J. Darensbourg","Acrylic Acid Derivatives of Group 8 Metal Carbonyls: A Structural and Kinetic Study","Inorganic Chemistry","2013","52","","5438","5447","10.1021/ic4003737","","","0.71073","MoKα","","0.0346","0.0318","","","0.0879","0.0898","","","","","","1.054","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334744","8.11","0.003","10.806","0.003","10.163","0.003","90","","98.883","0.002","90","","880","0.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Fe O6 -","- C7 H4 Fe O6 -","- C28 H16 Fe4 O24 -","4","1","","Bo Li; Samuel J. Kyran; Andrew D. Yeung; Ashfaq A. Bengali; Donald J. Darensbourg","Acrylic Acid Derivatives of Group 8 Metal Carbonyls: A Structural and Kinetic Study","Inorganic Chemistry","2013","52","","5438","5447","10.1021/ic4003737","","","0.71073","MoKα","","0.0488","0.0384","","","0.0914","0.0963","","","","","","1.09","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334745","8.364","0.015","10.979","0.019","10.391","0.018","90","","98.44","0.02","90","","944","3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 O6 Ru -","- C7 H4 O6 Ru -","- C28 H16 O24 Ru4 -","4","1","","Bo Li; Samuel J. Kyran; Andrew D. Yeung; Ashfaq A. Bengali; Donald J. Darensbourg","Acrylic Acid Derivatives of Group 8 Metal Carbonyls: A Structural and Kinetic Study","Inorganic Chemistry","2013","52","","5438","5447","10.1021/ic4003737","","","0.71073","MoKα","","0.0787","0.0596","","","0.1596","0.1701","","","","","","0.956","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334746","9.859","0.007","10.471","0.008","10.705","0.008","90.516","0.009","112.92","0.008","94.052","0.009","1014.5","1.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 O4 P Ru -","- C22 H15 O4 P Ru -","- C44 H30 O8 P2 Ru2 -","2","1","","Bo Li; Samuel J. Kyran; Andrew D. Yeung; Ashfaq A. Bengali; Donald J. Darensbourg","Acrylic Acid Derivatives of Group 8 Metal Carbonyls: A Structural and Kinetic Study","Inorganic Chemistry","2013","52","","5438","5447","10.1021/ic4003737","","","0.71073","MoKα","","0.0633","0.0519","","","0.1237","0.1312","","","","","","1.008","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334747","6.3621","0.0015","5.9271","0.0014","26.265","0.006","90","","94.268","0.003","90","","987.7","0.4","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Fe O6 -","- C8 H6 Fe O6 -","- C32 H24 Fe4 O24 -","4","1","","Bo Li; Samuel J. Kyran; Andrew D. Yeung; Ashfaq A. Bengali; Donald J. Darensbourg","Acrylic Acid Derivatives of Group 8 Metal Carbonyls: A Structural and Kinetic Study","Inorganic Chemistry","2013","52","","5438","5447","10.1021/ic4003737","","","0.71073","MoKα","","0.0435","0.0311","","","0.0623","0.0661","","","","","","1.032","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334748","9.8176","0.0007","11.9293","0.0007","14.3536","0.001","97.088","0.003","109.224","0.003","114.046","0.003","1383.39","0.17","147","1","147","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H48 Ni O2 P2 -","- C28 H48 Ni O2 P2 -","- C56 H96 Ni2 O4 P4 -","2","1","","Kanghee Park; Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Synthesis of New Late Transition Metal P,P-, P,N-, and P,O- Complexes Using Phosphonium Dimers as Convenient Ligand Precursors","Inorganic Chemistry","2013","52","","5448","5456","10.1021/ic4003753","","","0.71073","MoKα","","0.0918","0.0562","","","0.1276","0.1463","","","","","","1.018","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334749","10.8605","0.0002","19.3658","0.0004","23.801","0.0005","90","","93.267","0.0012","90","","4997.74","0.17","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H71.5 Cl4 N2.5 Ni O8 P2 -","- C46 H71.5 Cl4 N2.5 Ni O8 P2 -","- C184 H286 Cl16 N10 Ni4 O32 P8 -","4","2","","Kanghee Park; Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Synthesis of New Late Transition Metal P,P-, P,N-, and P,O- Complexes Using Phosphonium Dimers as Convenient Ligand Precursors","Inorganic Chemistry","2013","52","","5448","5456","10.1021/ic4003753","","","0.71073","MoKα","","0.1142","0.0692","","","0.1601","0.1868","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334750","13.4739","0.0003","34.5348","0.0008","15.355","0.0004","90","","114.926","0.001","90","","6479.4","0.3","147","1","147","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H100 Cl6 O3 P4 Pt2 -","- C57 H100 Cl6 O3 P4 Pt2 -","- C228 H400 Cl24 O12 P16 Pt8 -","4","1","","Kanghee Park; Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Synthesis of New Late Transition Metal P,P-, P,N-, and P,O- Complexes Using Phosphonium Dimers as Convenient Ligand Precursors","Inorganic Chemistry","2013","52","","5448","5456","10.1021/ic4003753","","","0.71073","MoKα","","0.1382","0.0623","","","0.1157","0.147","","","","","","1.008","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334751","10.4051","0.0002","12.6194","0.0003","15.3281","0.0003","90","","91.008","0.0013","90","","2012.36","0.07","147","1","147","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 O P Rh -","- C22 H36 O P Rh -","- C88 H144 O4 P4 Rh4 -","4","1","","Kanghee Park; Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Synthesis of New Late Transition Metal P,P-, P,N-, and P,O- Complexes Using Phosphonium Dimers as Convenient Ligand Precursors","Inorganic Chemistry","2013","52","","5448","5456","10.1021/ic4003753","","","0.71073","MoKα","","0.0478","0.03","","","0.0555","0.0624","","","","","","1.087","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334752","10.4122","0.0003","12.6241","0.0004","15.3073","0.0005","90","","90.907","0.0018","90","","2011.81","0.11","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Ir O P -","- C22 H36 Ir O P -","- C88 H144 Ir4 O4 P4 -","4","1","","Kanghee Park; Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Synthesis of New Late Transition Metal P,P-, P,N-, and P,O- Complexes Using Phosphonium Dimers as Convenient Ligand Precursors","Inorganic Chemistry","2013","52","","5448","5456","10.1021/ic4003753","","","0.71073","MoKα","","0.0425","0.0312","","","0.0672","0.0719","","","","","","1.046","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334753","10.0007","0.001","10.4881","0.0009","13.6631","0.0013","102.847","0.002","91.786","0.002","113.48","0.002","1270","0.2","147","2","147","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H38 F6 N O P2 Rh -","- C22 H38 F6 N O P2 Rh -","- C44 H76 F12 N2 O2 P4 Rh2 -","2","1","","Kanghee Park; Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris","Synthesis of New Late Transition Metal P,P-, P,N-, and P,O- Complexes Using Phosphonium Dimers as Convenient Ligand Precursors","Inorganic Chemistry","2013","52","","5448","5456","10.1021/ic4003753","","","0.71073","MoKα","","0.0305","0.0263","","","0.0626","0.0648","","","","","","1.049","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334754","17.5965","0.0006","10.1996","0.0004","28.7552","0.0009","90","","95.869","0.002","90","","5133.9","0.3","100","","100","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C52 H53 B Cl2 F6 N2 P2 Pt S2 -","- C52 H53 B Cl2 F6 N2 P2 Pt S2 -","- C208 H212 B4 Cl8 F24 N8 P8 Pt4 S8 -","4","1","","Alejo M. Lifschitz; Chad M. Shade; Alexander M. Spokoyny; Jose Mendez-Arroyo; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","Boron-Dipyrromethene-Functionalized Hemilabile Ligands as ""Turn-On"" Fluorescent Probes for Coordination Changes in Weak-Link Approach Complexes","Inorganic Chemistry","2013","52","","5484","5492","10.1021/ic400383t","","","1.54184","CuKα","","0.0798","0.0703","","","0.1776","0.1823","","","","","","1.424","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334755","13.4003","0.0005","17.169","0.0006","25.3152","0.0011","86.516","0.002","88.842","0.002","73.414","0.002","5571.6","0.4","100","2","99.99","","","","","","","","","8","P -1","-P 1","2","","","","- C52 H53 B3 F14 N2 P2 Pt S2 -","- C52 H53 B3 F14 N2 P2 Pt S2 -","- C208 H212 B12 F56 N8 P8 Pt4 S8 -","4","2","","Alejo M. Lifschitz; Chad M. Shade; Alexander M. Spokoyny; Jose Mendez-Arroyo; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","Boron-Dipyrromethene-Functionalized Hemilabile Ligands as ""Turn-On"" Fluorescent Probes for Coordination Changes in Weak-Link Approach Complexes","Inorganic Chemistry","2013","52","","5484","5492","10.1021/ic400383t","","","1.54178","CuKα","","0.0525","0.0443","","","0.1124","0.1209","","","","","","1.038","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334756","13.4461","0.0013","14.5506","0.0014","16.7938","0.0016","73.877","0.001","89.452","0.001","84.856","0.001","3143.3","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 F6 N8 P Ru -","- C23 H21 F6 N8 P Ru -","- C92 H84 F24 N32 P4 Ru4 -","4","2","","Misaki Makino; Tomoya Ishizuka; Shingo Ohzu; Jiang Hua; Hiroaki Kotani; Takahiko Kojima","Synthesis and Characterization of an Azido-Bridged Dinuclear Ruthenium(II) Polypyridylamine Complex Forming a Mixed-Valence State","Inorganic Chemistry","2013","52","","5507","5514","10.1021/ic400412f","","","0.71073","MoKα","","0.0654","0.0464","","","0.1077","0.1147","","","","","","1.034","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334757","12.529","0.002","12.734","0.002","18.789","0.003","89.976","0.002","89.898","0.003","89.418","0.002","2997.5","0.8","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 F12 N6 P2 Ru -","- C25 H24 F12 N6 P2 Ru -","- C100 H96 F48 N24 P8 Ru4 -","4","2","","Misaki Makino; Tomoya Ishizuka; Shingo Ohzu; Jiang Hua; Hiroaki Kotani; Takahiko Kojima","Synthesis and Characterization of an Azido-Bridged Dinuclear Ruthenium(II) Polypyridylamine Complex Forming a Mixed-Valence State","Inorganic Chemistry","2013","52","","5507","5514","10.1021/ic400412f","","","0.71073","MoKα","","0.1648","0.0669","","","0.1161","0.1489","","","","","","0.949","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334758","9.7749","0.001","21.936","0.002","13.4714","0.0014","90","","90","","90","","2888.6","0.5","120","2","120","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C23 H21 Cl F6 N5 O4 P Ru -","- C23 H21 Cl F6 N5 O4 P Ru -","- C92 H84 Cl4 F24 N20 O16 P4 Ru4 -","4","0.5","","Misaki Makino; Tomoya Ishizuka; Shingo Ohzu; Jiang Hua; Hiroaki Kotani; Takahiko Kojima","Synthesis and Characterization of an Azido-Bridged Dinuclear Ruthenium(II) Polypyridylamine Complex Forming a Mixed-Valence State","Inorganic Chemistry","2013","52","","5507","5514","10.1021/ic400412f","","","0.71073","MoKα","","0.0525","0.0442","","","0.1305","0.1345","","","","","","1.113","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334759","12.914","0.004","13.12","0.004","39.995","0.013","90","","90","","90","","6776","4","120","2","120","2","","","","","","","","6","I 21 21 21","I 2b 2c","24","","","","- C46 H42 F18 N13 P3 Ru2 -","- C46 H42 F18 N13 P3 Ru2 -","- C184 H168 F72 N52 P12 Ru8 -","4","0.5","","Misaki Makino; Tomoya Ishizuka; Shingo Ohzu; Jiang Hua; Hiroaki Kotani; Takahiko Kojima","Synthesis and Characterization of an Azido-Bridged Dinuclear Ruthenium(II) Polypyridylamine Complex Forming a Mixed-Valence State","Inorganic Chemistry","2013","52","","5507","5514","10.1021/ic400412f","","","0.71073","MoKα","","0.118","0.0988","","","0.2474","0.2594","","","","","","1.039","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334760","10.3599","0.0004","20.8103","0.001","19.4299","0.001","90","","97.699","0.003","90","","4151.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 F60 O28 Zn10 -","- C44 H24 F60 O28 Zn10 -","- C88 H48 F120 O56 Zn20 -","2","0.5","","A. L. Johnson; A. J. Kingsley; G. Kociok-Köhn; K. C. Molloy; A. L. Sudlow","Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry","Inorganic Chemistry","2013","52","","5515","5526","10.1021/ic400420h","","","0.71073","MoKα","","0.1422","0.0736","","","0.1702","0.2132","","","","","","1.073","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334761","9.532","0.0007","9.7246","0.0006","10.1299","0.0009","62.429","0.005","86.995","0.004","88.439","0.004","831.21","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 F10 O4 Zn2 -","- C10 H10 F10 O4 Zn2 -","- C20 H20 F20 O8 Zn4 -","2","1","","A. L. Johnson; A. J. Kingsley; G. Kociok-Köhn; K. C. Molloy; A. L. Sudlow","Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry","Inorganic Chemistry","2013","52","","5515","5526","10.1021/ic400420h","","","0.71073","MoKα","","0.0982","0.0831","","","0.2256","0.243","","","","","","1.063","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334762","20.1556","0.0005","17.486","0.0005","23.4712","0.0005","90","","112.553","0.001","90","","7639.6","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H10 F60 O26 Zn9 -","- C40 H10 F60 O26 Zn9 -","- C160 H40 F240 O104 Zn36 -","4","0.5","","A. L. Johnson; A. J. Kingsley; G. Kociok-Köhn; K. C. Molloy; A. L. Sudlow","Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry","Inorganic Chemistry","2013","52","","5515","5526","10.1021/ic400420h","","","0.71073","MoKα","","0.131","0.0569","","","0.0978","0.121","","","","","","1.021","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334763","19.1655","0.0008","10.4966","0.0004","10.0172","0.0003","90","","102.881","0.003","90","","1964.47","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 F7 O2 Zn -","- C6 H5 F7 O2 Zn -","- C48 H40 F56 O16 Zn8 -","8","1","","A. L. Johnson; A. J. Kingsley; G. Kociok-Köhn; K. C. Molloy; A. L. Sudlow","Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry","Inorganic Chemistry","2013","52","","5515","5526","10.1021/ic400420h","","","0.71073","MoKα","","0.0503","0.0317","","","0.0729","0.0808","","","","","","1.052","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334764","13.26","0.002","13.903","0.002","18.434","0.003","90","","90","","90","","3398.4","0.9","150","2","150","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C40 H40 F42 O17 Zn8 -","- C40 H40 F42 O17 Zn8 -","- C80 H80 F84 O34 Zn16 -","2","0.5","","A. L. Johnson; A. J. Kingsley; G. Kociok-Köhn; K. C. Molloy; A. L. Sudlow","Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry","Inorganic Chemistry","2013","52","","5515","5526","10.1021/ic400420h","","","0.71073","MoKα","","0.0934","0.0748","","","0.1999","0.2114","","","","","","1.074","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334765","8.5671","0.0002","15.6795","0.0005","12.7444","0.0003","90","","109.487","0.001","90","","1613.86","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H21 F5 N2 O2 Zn -","- C11 H21 F5 N2 O2 Zn -","- C44 H84 F20 N8 O8 Zn4 -","4","1","","A. L. Johnson; A. J. Kingsley; G. Kociok-Köhn; K. C. Molloy; A. L. Sudlow","Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry","Inorganic Chemistry","2013","52","","5515","5526","10.1021/ic400420h","","","0.71073","MoKα","","0.0381","0.0303","","","0.0712","0.0769","","","","","","1.084","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334766","12.6211","0.0002","16.2796","0.0002","19.1244","0.0003","90","","90","","90","","3929.42","0.1","150","2","150","2","","","","","","","","6","P c 21 b","P -2bc -2c","29","","","","- C24 H32 F20 N4 O8 Zn2 -","- C24 H32 F20 N4 O8 Zn2 -","- C96 H128 F80 N16 O32 Zn8 -","4","1","","A. L. Johnson; A. J. Kingsley; G. Kociok-Köhn; K. C. Molloy; A. L. Sudlow","Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry","Inorganic Chemistry","2013","52","","5515","5526","10.1021/ic400420h","","","0.71073","MoKα","","0.0488","0.0375","","","0.0941","0.1027","","","","","","1.034","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334767","9.7929","0.0002","15.4901","0.0003","15.5496","0.0004","95.574","0.001","104.898","0.001","96.891","0.001","2242.79","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H34 F28 N4 O9 Zn2 -","- C28 H34 F28 N4 O9 Zn2 -","- C56 H68 F56 N8 O18 Zn4 -","2","1","","A. L. Johnson; A. J. Kingsley; G. Kociok-Köhn; K. C. Molloy; A. L. Sudlow","Inorganic and Organozinc Fluorocarboxylates: Synthesis, Structure and Materials Chemistry","Inorganic Chemistry","2013","52","","5515","5526","10.1021/ic400420h","","","0.71073","MoKα","","0.089","0.0472","","","0.1073","0.1254","","","","","","1.018","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334768","10.5402","0.0015","10.5402","0.0015","9.828","0.002","90","","90","","90","","1091.8","0.3","173","0.2","173","0.2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Ga Li O6 Se2 -","- Ga Li O6 Se2 -","- Ga8 Li8 O48 Se16 -","8","0.5","","Dong Woo Lee; Kang Min Ok","New Alkali-Metal Gallium Selenites, AGa(SeO3)2 (A = Li, Na, K, and Cs): Effect of Cation Size on the Framework Structures and Macroscopic Centricities","Inorganic Chemistry","2013","52","","5176","5184","10.1021/ic400458a","","","0.71073","MoKα","","0.0231","0.0223","","","0.0473","0.0476","","","","","","1.03","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334769","12.4545","0.0002","5.2967","0.0001","7.8044","0.0001","90","","90","","90","","514.839","0.014","173","0.2","173","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ga Na O6 Se2 -","- Ga Na O6 Se2 -","- Ga4 Na4 O24 Se8 -","4","0.5","","Dong Woo Lee; Kang Min Ok","New Alkali-Metal Gallium Selenites, AGa(SeO3)2 (A = Li, Na, K, and Cs): Effect of Cation Size on the Framework Structures and Macroscopic Centricities","Inorganic Chemistry","2013","52","","5176","5184","10.1021/ic400458a","","","0.71073","MoKα","","0.0372","0.0292","","","0.0636","0.0675","","","","","","1.01","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334770","14.9753","0.0003","5.3251","0.0001","7.2875","0.0001","90","","90","","90","","581.141","0.018","173","0.2","173","0.2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ga K O6 Se2 -","- Ga K O6 Se2 -","- Ga4 K4 O24 Se8 -","4","0.5","","Dong Woo Lee; Kang Min Ok","New Alkali-Metal Gallium Selenites, AGa(SeO3)2 (A = Li, Na, K, and Cs): Effect of Cation Size on the Framework Structures and Macroscopic Centricities","Inorganic Chemistry","2013","52","","5176","5184","10.1021/ic400458a","","","0.71073","MoKα","","0.0202","0.0182","","","0.0386","0.0392","","","","","","1.087","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334771","13.7906","0.0007","5.4755","0.0003","18.3055","0.0009","90","","107.612","0.002","90","","1317.47","0.12","173","0.2","173","0.2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cs Ga O6 Se2 -","- Cs Ga O6 Se2 -","- Cs8 Ga8 O48 Se16 -","8","1","","Dong Woo Lee; Kang Min Ok","New Alkali-Metal Gallium Selenites, AGa(SeO3)2 (A = Li, Na, K, and Cs): Effect of Cation Size on the Framework Structures and Macroscopic Centricities","Inorganic Chemistry","2013","52","","5176","5184","10.1021/ic400458a","","","0.71073","MoKα","","0.0462","0.032","","","0.0765","0.1065","","","","","","1.006","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334772","11.44","0.002","14.006","0.003","15.151","0.003","90","","108.771","0.002","90","","2298.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H64 N8 O14 Pt2 Rh2 -","- C28 H64 N8 O14 Pt2 Rh2 -","- C56 H128 N16 O28 Pt4 Rh4 -","2","0.5","","Kazuhiro Uemura; Masahiro Ebihara","Paramagnetic One-Dimensional Chains Comprised of Trinuclear Pt-Cu-Pt and Paddlewheel Dirhodium Complexes with Metal-Metal Bonds","Inorganic Chemistry","2013","52","","5535","5550","10.1021/ic400470g","","","0.7107","MoKα","","0.0715","0.0461","","","0.1039","0.1194","","","","","","1.083","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334773","10.749","0.003","16.038","0.004","12.657","0.003","90","","108.939","0.003","90","","2063.8","0.9","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H52 Cu F12 N8 O4 P2 Pt2 -","- C20 H52 Cu F12 N8 O4 P2 Pt2 -","- C40 H104 Cu2 F24 N16 O8 P4 Pt4 -","2","0.5","","Kazuhiro Uemura; Masahiro Ebihara","Paramagnetic One-Dimensional Chains Comprised of Trinuclear Pt-Cu-Pt and Paddlewheel Dirhodium Complexes with Metal-Metal Bonds","Inorganic Chemistry","2013","52","","5535","5550","10.1021/ic400470g","","","0.7107","MoKα","","0.1043","0.0631","","","0.1452","0.1783","","","","","","1.032","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334774","11.259","0.005","11.69","0.006","12.126","0.006","113.2","0.004","99.391","0.002","108.533","0.004","1312.5","1.1","123","2","123","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H64 Cu F12 N8 O12 P2 Pt2 Rh2 -","- C28 H64 Cu F12 N8 O12 P2 Pt2 Rh2 -","- C28 H64 Cu F12 N8 O12 P2 Pt2 Rh2 -","1","0.5","","Kazuhiro Uemura; Masahiro Ebihara","Paramagnetic One-Dimensional Chains Comprised of Trinuclear Pt-Cu-Pt and Paddlewheel Dirhodium Complexes with Metal-Metal Bonds","Inorganic Chemistry","2013","52","","5535","5550","10.1021/ic400470g","","","0.7107","MoKα","","0.0657","0.0601","","","0.1496","0.1542","","","","","","1.032","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334775","13.1305","0.0015","14.0731","0.0015","13.8857","0.0016","90","","97.1867","0.0013","90","","2545.7","0.5","123","2","123","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C28 H64 Cu F12 N8 O12 P2 Pt2 Rh2 -","- C28 H64 Cu F12 N8 O12 P2 Pt2 Rh2 -","- C56 H128 Cu2 F24 N16 O24 P4 Pt4 Rh4 -","2","0.5","","Kazuhiro Uemura; Masahiro Ebihara","Paramagnetic One-Dimensional Chains Comprised of Trinuclear Pt-Cu-Pt and Paddlewheel Dirhodium Complexes with Metal-Metal Bonds","Inorganic Chemistry","2013","52","","5535","5550","10.1021/ic400470g","","","0.7107","MoKα","","0.0261","0.0249","","","0.0522","0.053","","","","","","1.059","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334776","13.251","0.003","20.825","0.004","14.476","0.003","90","","111.288","0.002","90","","3722.1","1.3","123","2","123","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C46 H100 Cu F12 N8 O18 P2 Pt2 Rh2 -","- C46 H100 Cu F12 N8 O18 P2 Pt2 Rh2 -","- C92 H200 Cu2 F24 N16 O36 P4 Pt4 Rh4 -","2","0.5","","Kazuhiro Uemura; Masahiro Ebihara","Paramagnetic One-Dimensional Chains Comprised of Trinuclear Pt-Cu-Pt and Paddlewheel Dirhodium Complexes with Metal-Metal Bonds","Inorganic Chemistry","2013","52","","5535","5550","10.1021/ic400470g","","","0.7107","MoKα","","0.0395","0.0337","","","0.0785","0.0831","","","","","","1.117","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334777","22.916","0.003","12.9623","0.0014","33.225","0.004","90","","105.745","0.0013","90","","9499","2","123","2","123","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C52 H116 Cl2 Cu2 F6 N16 O30 Pt4 Rh2 -","- C52 H116 Cl2 Cu2 F6 N16 O30 Pt4 Rh2 -","- C208 H464 Cl8 Cu8 F24 N64 O120 Pt16 Rh8 -","4","0.5","","Kazuhiro Uemura; Masahiro Ebihara","Paramagnetic One-Dimensional Chains Comprised of Trinuclear Pt-Cu-Pt and Paddlewheel Dirhodium Complexes with Metal-Metal Bonds","Inorganic Chemistry","2013","52","","5535","5550","10.1021/ic400470g","","","0.7107","MoKα","","0.0432","0.0391","","","0.0913","0.0947","","","","","","1.089","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334778","7.4547","0.0019","10.322","0.003","12.988","0.003","84.511","0.004","78.393","0.004","77.534","0.004","954.5","0.4","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 B Cl2 N11 O8 -","- C8 H12 B Cl2 N11 O8 -","- C16 H24 B2 Cl4 N22 O16 -","2","1","","Ralf Haiges; C. Bigler Jones; Karl O. Christe","Energetic Bis(3,5-dinitro-1H-1,2,4-triazolyl)dihydro- and dichloroborates and Bis(5-nitro-2H-tetrazolyl)-, Bis(5-(trinitromethyl)-2H-tetrazolyl)-, and Bis(5-(fluorodinitromethyl)-2H-tetrazolyl)dihydroborate","Inorganic Chemistry","2013","52","","5551","5558","10.1021/ic400504h","","","0.71073","MoKα","","0.0788","0.058","","","0.1446","0.1619","","","","","","1.029","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334779","11.1631","0.0002","12.613","0.0002","12.6791","0.0002","110.931","0.001","105.092","0.001","104.77","0.001","1485.24","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H32 B N10 Na O14 -","- C16 H32 B N10 Na O14 -","- C32 H64 B2 N20 Na2 O28 -","2","1","","Ralf Haiges; C. Bigler Jones; Karl O. Christe","Energetic Bis(3,5-dinitro-1H-1,2,4-triazolyl)dihydro- and dichloroborates and Bis(5-nitro-2H-tetrazolyl)-, Bis(5-(trinitromethyl)-2H-tetrazolyl)-, and Bis(5-(fluorodinitromethyl)-2H-tetrazolyl)dihydroborate","Inorganic Chemistry","2013","52","","5551","5558","10.1021/ic400504h","","","0.71073","MoKα","","0.0395","0.0324","","","0.0866","0.0902","","","","","","1.077","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334780","11.4579","0.0005","12.0559","0.0006","13.0552","0.0006","85.815","0.002","86.127","0.002","79.409","0.002","1765.24","0.14","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H14 B N11 O8 -","- C8 H14 B N11 O8 -","- C32 H56 B4 N44 O32 -","4","2","","Ralf Haiges; C. Bigler Jones; Karl O. Christe","Energetic Bis(3,5-dinitro-1H-1,2,4-triazolyl)dihydro- and dichloroborates and Bis(5-nitro-2H-tetrazolyl)-, Bis(5-(trinitromethyl)-2H-tetrazolyl)-, and Bis(5-(fluorodinitromethyl)-2H-tetrazolyl)dihydroborate","Inorganic Chemistry","2013","52","","5551","5558","10.1021/ic400504h","","","0.71073","MoKα","","0.0854","0.0552","","","0.1407","0.1615","","","","","","1.039","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334781","9.9418","0.0005","12.6744","0.0006","16.798","0.0008","97.5665","0.0007","96.2596","0.0007","99.158","0.0007","2053.12","0.17","104","2","104","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 B N11 O8 P2 -","- C40 H32 B N11 O8 P2 -","- C80 H64 B2 N22 O16 P4 -","2","1","","Ralf Haiges; C. Bigler Jones; Karl O. Christe","Energetic Bis(3,5-dinitro-1H-1,2,4-triazolyl)dihydro- and dichloroborates and Bis(5-nitro-2H-tetrazolyl)-, Bis(5-(trinitromethyl)-2H-tetrazolyl)-, and Bis(5-(fluorodinitromethyl)-2H-tetrazolyl)dihydroborate","Inorganic Chemistry","2013","52","","5551","5558","10.1021/ic400504h","","","0.71073","MoKα","","0.0436","0.0344","","","0.0875","0.0931","","","","","","1.024","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334782","22.1054","0.001","10.5458","0.0005","23.8276","0.0011","90","","97.554","0.001","90","","5506.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 B N10 O4 P -","- C26 H22 B N10 O4 P -","- C208 H176 B8 N80 O32 P8 -","8","2","","Ralf Haiges; C. Bigler Jones; Karl O. Christe","Energetic Bis(3,5-dinitro-1H-1,2,4-triazolyl)dihydro- and dichloroborates and Bis(5-nitro-2H-tetrazolyl)-, Bis(5-(trinitromethyl)-2H-tetrazolyl)-, and Bis(5-(fluorodinitromethyl)-2H-tetrazolyl)dihydroborate","Inorganic Chemistry","2013","52","","5551","5558","10.1021/ic400504h","","","0.71073","MoKα","","0.0658","0.0412","","","0.0973","0.11","","","","","","1.018","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334783","11.0434","0.0007","12.7349","0.0008","13.7231","0.0009","109.735","0.001","97.954","0.001","102.841","0.001","1722.62","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 B N14 O12 P -","- C28 H22 B N14 O12 P -","- C56 H44 B2 N28 O24 P2 -","2","1","","Ralf Haiges; C. Bigler Jones; Karl O. Christe","Energetic Bis(3,5-dinitro-1H-1,2,4-triazolyl)dihydro- and dichloroborates and Bis(5-nitro-2H-tetrazolyl)-, Bis(5-(trinitromethyl)-2H-tetrazolyl)-, and Bis(5-(fluorodinitromethyl)-2H-tetrazolyl)dihydroborate","Inorganic Chemistry","2013","52","","5551","5558","10.1021/ic400504h","","","0.71073","MoKα","","0.0561","0.0414","","","0.1066","0.1154","","","","","","1.023","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334784","11.1504","0.0006","12.2645","0.0006","13.5087","0.0007","109.358","0.001","99.414","0.001","101.577","0.001","1653.72","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","FDNTzBH2TPP","","","- C28 H22 B F2 N12 O8 P -","- C28 H22 B F2 N12 O8 P -","- C56 H44 B2 F4 N24 O16 P2 -","2","1","","Ralf Haiges; C. Bigler Jones; Karl O. Christe","Energetic Bis(3,5-dinitro-1H-1,2,4-triazolyl)dihydro- and dichloroborates and Bis(5-nitro-2H-tetrazolyl)-, Bis(5-(trinitromethyl)-2H-tetrazolyl)-, and Bis(5-(fluorodinitromethyl)-2H-tetrazolyl)dihydroborate","Inorganic Chemistry","2013","52","","5551","5558","10.1021/ic400504h","","","0.71073","MoKα","","0.069","0.058","","","0.1561","0.1662","","","","","","1.042","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334785","9.1905","0.0004","5.9775","0.0003","11.0138","0.0007","90","","116.405","0.0017","90","","541.93","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","calcium silicon nitride","tetracalcium monosilicon tetranitrogen","","- Ca4 N4 Si -","- Ca4 N4 Si -","- Ca16 N16 Si4 -","4","1","","Hisanori Yamane; Haruhiko Morito","Synthesis and Crystal Structures of Ca4SiN4 and New Polymorph of Ca5Si2N6","Inorganic Chemistry","2013","52","","5559","5563","10.1021/ic400522z","","","0.71075","MoKα","","0.0642","0.0361","","","0.0663","0.0821","","","","","","1.121","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4334786","6.2712","0.0005","10.0175","0.0008","12.0287","0.0008","90","","99.303","0.002","90","","745.72","0.1","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","calcium silicon nitride","pentacalcium monosilicon hexanitrogen","","- Ca5 N6 Si2 -","- Ca5 N6 Si2 -","- Ca20 N24 Si8 -","4","0.5","","Hisanori Yamane; Haruhiko Morito","Synthesis and Crystal Structures of Ca4SiN4 and New Polymorph of Ca5Si2N6","Inorganic Chemistry","2013","52","","5559","5563","10.1021/ic400522z","","","0.71075","MoKα","","0.0553","0.0456","","","0.1093","0.117","","","","","","1.055","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4334787","9.9524","0.0004","13.0566","0.0005","14.5815","0.0006","91.029","0.003","90.22","0.003","92.195","0.003","1893.07","0.13","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 Cl4 I3 N8 Y -","- C35 H26 Cl4 I3 N8 Y -","- C70 H52 Cl8 I6 N16 Y2 -","2","1","","Thi Nhu Y Hoang; Marie Humbert-Droz; Thibault Dutronc; Laure Guénée; Céline Besnard; Claude Piguet","A Polyaromatic Terdentate Binding Unit with Fused 5,6-Membered Chelates for Complexing s-, p-, d-, and f-Block Cations","Inorganic Chemistry","2013","52","","5570","5580","10.1021/ic400526j","","","1.54184","CuKα","","0.0607","0.0573","","","0.1658","0.1689","","","","","","1.119","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334788","6.94004","0.00012","11.60676","0.00013","22.9171","0.0003","90","","98.1622","0.0015","90","","1827.3","0.05","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F3 N4 O3 S -","- C18 H13 F3 N4 O3 S -","- C72 H52 F12 N16 O12 S4 -","4","1","","Thi Nhu Y Hoang; Marie Humbert-Droz; Thibault Dutronc; Laure Guénée; Céline Besnard; Claude Piguet","A Polyaromatic Terdentate Binding Unit with Fused 5,6-Membered Chelates for Complexing s-, p-, d-, and f-Block Cations","Inorganic Chemistry","2013","52","","5570","5580","10.1021/ic400526j","","","1.54184","CuKα","","0.0639","0.0573","","","0.1733","0.1804","","","","","","1.123","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334789","21.8972","0.001","15.3474","0.0003","15.1806","0.0007","90","","130.218","0.008","90","","3895.6","0.5","180","2","180","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H14 Cl2 N4 O8 -","- C17 H14 Cl2 N4 O8 -","- C136 H112 Cl16 N32 O64 -","8","2","","Thi Nhu Y Hoang; Marie Humbert-Droz; Thibault Dutronc; Laure Guénée; Céline Besnard; Claude Piguet","A Polyaromatic Terdentate Binding Unit with Fused 5,6-Membered Chelates for Complexing s-, p-, d-, and f-Block Cations","Inorganic Chemistry","2013","52","","5570","5580","10.1021/ic400526j","","","1.54184","CuKα","","0.0654","0.0637","","","0.1729","0.1761","","","","","","1.025","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334790","7.4188","0.0005","10.2066","0.001","12.4306","0.0008","111.463","0.008","94.292","0.006","93.597","0.007","869.4","0.13","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14 Cl Li N4 O5 -","- C17 H14 Cl Li N4 O5 -","- C34 H28 Cl2 Li2 N8 O10 -","2","1","","Thi Nhu Y Hoang; Marie Humbert-Droz; Thibault Dutronc; Laure Guénée; Céline Besnard; Claude Piguet","A Polyaromatic Terdentate Binding Unit with Fused 5,6-Membered Chelates for Complexing s-, p-, d-, and f-Block Cations","Inorganic Chemistry","2013","52","","5570","5580","10.1021/ic400526j","","","1.5418","CuKα","","0.0599","0.0546","","","0.1499","0.1552","","","","","","1.05","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334791","9.8604","0.0004","9.968","0.0005","12.2159","0.0004","74.51","0.003","84.256","0.003","73.945","0.004","1111.49","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 Cl2 Mg N4 O11 -","- C17 H18 Cl2 Mg N4 O11 -","- C34 H36 Cl4 Mg2 N8 O22 -","2","1","","Thi Nhu Y Hoang; Marie Humbert-Droz; Thibault Dutronc; Laure Guénée; Céline Besnard; Claude Piguet","A Polyaromatic Terdentate Binding Unit with Fused 5,6-Membered Chelates for Complexing s-, p-, d-, and f-Block Cations","Inorganic Chemistry","2013","52","","5570","5580","10.1021/ic400526j","","","1.54184","CuKα","","0.0555","0.0507","","","0.1323","0.1368","","","","","","1.042","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334792","10.0614","0.0001","15.272","0.0002","19.2585","0.0003","90","","114.15","0.001","90","","2700.22","0.06","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F6 N4 O7 S2 Zn -","- C23 H20 F6 N4 O7 S2 Zn -","- C92 H80 F24 N16 O28 S8 Zn4 -","4","1","","Thi Nhu Y Hoang; Marie Humbert-Droz; Thibault Dutronc; Laure Guénée; Céline Besnard; Claude Piguet","A Polyaromatic Terdentate Binding Unit with Fused 5,6-Membered Chelates for Complexing s-, p-, d-, and f-Block Cations","Inorganic Chemistry","2013","52","","5570","5580","10.1021/ic400526j","","","1.54184","CuKα","","0.0648","0.0616","","","0.1604","0.1633","","","","","","1.028","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334793","12.7973","0.0004","13.089","0.0003","22.9289","0.0007","76.931","0.002","86.061","0.002","84.064","0.002","3717.07","0.19","180.1","","180.1","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H24.25 F6 N8 O6.12 S2 Zn -","- C36 H24.25 F6 N8 O6.125 S2 Zn -","- C144 H97 F24 N32 O24.5 S8 Zn4 -","4","2","","Thi Nhu Y Hoang; Marie Humbert-Droz; Thibault Dutronc; Laure Guénée; Céline Besnard; Claude Piguet","A Polyaromatic Terdentate Binding Unit with Fused 5,6-Membered Chelates for Complexing s-, p-, d-, and f-Block Cations","Inorganic Chemistry","2013","52","","5570","5580","10.1021/ic400526j","","","1.5418","CuKα","","0.0573","0.0484","","","0.1237","0.1312","","","","","","1.013","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334794","12.4381","0.0008","17.4207","0.0011","14.3204","0.0009","90","","113.661","0.0006","90","","2842.1","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","7","","","- C23 H33 Cl2 O5 P Sn W -","- C23 H33 Cl2 O5 P Sn W -","- C92 H132 Cl8 O20 P4 Sn4 W4 -","4","1","","S. M. Ibrahim Al-Rafia; Olena Shynkaruk; Sean M. McDonald; Sean K. Liew; Michael J. Ferguson; Robert McDonald; Rolfe H. Herber; Eric Rivard","Synthesis and Mössbauer Spectroscopy of Formal Tin(II) Dichloride and Dihydride Species Supported by Lewis Acids and Bases","Inorganic Chemistry","2013","52","","5581","5589","10.1021/ic4005455","","","0.71073","MoKα","","0.0233","0.0196","","","0.0473","0.049","","","","","","1.054","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334795","10.5962","0.0006","18.9655","0.0011","51.458","0.003","90","","91.5446","0.0007","90","","10337.4","1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","5","","","- C32 H36 Cl2 Cr N2 O5 Sn -","- C32 H36 Cl2 Cr N2 O5 Sn -","- C384 H432 Cl24 Cr12 N24 O60 Sn12 -","12","3","","S. M. Ibrahim Al-Rafia; Olena Shynkaruk; Sean M. McDonald; Sean K. Liew; Michael J. Ferguson; Robert McDonald; Rolfe H. Herber; Eric Rivard","Synthesis and Mössbauer Spectroscopy of Formal Tin(II) Dichloride and Dihydride Species Supported by Lewis Acids and Bases","Inorganic Chemistry","2013","52","","5581","5589","10.1021/ic4005455","","","0.71073","MoKα","","0.0835","0.0451","","","0.0828","0.0976","","","","","","1.027","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334796","10.8773","0.0005","20.1714","0.0009","16.8178","0.0007","90","","103.001","0.0005","90","","3595.4","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","6","","","- C35 H45 Cr N2 O5 Sn -","- C35 H45 Cr N2 O5 Sn -","- C140 H180 Cr4 N8 O20 Sn4 -","4","1","","S. M. Ibrahim Al-Rafia; Olena Shynkaruk; Sean M. McDonald; Sean K. Liew; Michael J. Ferguson; Robert McDonald; Rolfe H. Herber; Eric Rivard","Synthesis and Mössbauer Spectroscopy of Formal Tin(II) Dichloride and Dihydride Species Supported by Lewis Acids and Bases","Inorganic Chemistry","2013","52","","5581","5589","10.1021/ic4005455","","","0.71073","MoKα","","0.0262","0.0221","","","0.0609","0.0634","","","","","","1.052","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334797","18.893","0.0011","12.4109","0.0007","23.7637","0.0014","90","","106.903","0.003","90","","5331.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H58 Dy N7 O12 -","- C48 H58 Dy N7 O12 -","- C192 H232 Dy4 N28 O48 -","4","1","","Francisco R. Fortea-Pérez; Julia Vallejo; Miguel Julve; Francesc Lloret; Giovanni De Munno; Donatella Armentano; Emilio Pardo","Slow Magnetic Relaxation in a Hydrogen-Bonded 2D Array of Mononuclear Dysprosium(III) Oxamates","Inorganic Chemistry","2013","52","","4777","4779","10.1021/ic4005517","","","0.71073","MoKα","","0.0378","0.0297","","","0.0739","0.0803","","","","","","1.115","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334798","13.2228","0.0011","11.401","0.001","20.7224","0.0018","90","","108.041","0.001","90","","2970.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Br3 Fe O3 Sn -","- C28 H38 Br3 Fe O3 Sn -","- C112 H152 Br12 Fe4 O12 Sn4 -","4","1","","Ekaterina V. Ilyakina; Andrey I. Poddel'sky; Georgy K. Fukin; Artem S. Bogomyakov; Vladimir K. Cherkasov; Gleb A. Abakumov","Ferrocene-o-Benzosemiquinonato Tin(IV) Electron-Transfer Complexes","Inorganic Chemistry","2013","52","","5284","5289","10.1021/ic400713p","","","0.71073","MoKα","","0.0626","0.0368","","","0.0723","0.0779","","","","","","0.971","","","","has coordinates,has disorder","179450","2020-10-21","18:00:00",""
"4334799","20.9482","0.0011","18.1986","0.0009","10.9919","0.0006","90","","106.125","0.001","90","","4025.6","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C38 H50 Cl2 Fe O4 Sn -","- C38 H50 Cl2 Fe O4 Sn -","- C152 H200 Cl8 Fe4 O16 Sn4 -","4","1","","Ekaterina V. Ilyakina; Andrey I. Poddel'sky; Georgy K. Fukin; Artem S. Bogomyakov; Vladimir K. Cherkasov; Gleb A. Abakumov","Ferrocene-o-Benzosemiquinonato Tin(IV) Electron-Transfer Complexes","Inorganic Chemistry","2013","52","","5284","5289","10.1021/ic400713p","","","0.71073","MoKα","","0.0321","0.0273","","","0.0615","0.0629","","","","","","1.027","","","","has coordinates","179450","2020-10-21","18:00:00",""
"4334800","11.108","0.002","12.22","0.003","15.365","0.003","89.53","0.002","71.884","0.002","86.422","0.002","1978.3","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H42 Cl2 Fe N2 P2 Ru -","- C46 H42 Cl2 Fe N2 P2 Ru -","- C92 H84 Cl4 Fe2 N4 P4 Ru2 -","2","1","","Aaron G. Green; Matthew D. Kiesz; Jeremy V. Oria; Andrew G. Elliott; Andrew K. Buechler; Johannes Hohenberger; Karsten Meyer; Jeffrey I. Zink; Paula L. Diaconescu","Characterization of an Iron-Ruthenium Interaction in a Ferrocene Diamide Complex","Inorganic Chemistry","2013","52","","5603","5610","10.1021/ic400773s","","","0.71073","MoKα","","0.0227","0.0211","","","0.0536","0.0545","","","","","","1.019","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334801","11.1122","0.0017","19.886","0.003","20.054","0.003","80.89","0.002","76.215","0.002","78.924","0.002","4194.1","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 Fe N2 P2 Ru -","- C46 H40 Fe N2 P2 Ru -","- C184 H160 Fe4 N8 P8 Ru4 -","4","2","","Aaron G. Green; Matthew D. Kiesz; Jeremy V. Oria; Andrew G. Elliott; Andrew K. Buechler; Johannes Hohenberger; Karsten Meyer; Jeffrey I. Zink; Paula L. Diaconescu","Characterization of an Iron-Ruthenium Interaction in a Ferrocene Diamide Complex","Inorganic Chemistry","2013","52","","5603","5610","10.1021/ic400773s","","","0.71073","MoKα","","0.056","0.0418","","","0.1231","0.1305","","","","","","1.075","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334802","14.384","0.007","10.44","0.005","16.969","0.008","90","","108.776","0.005","90","","2413","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Fe N2 P2 Ru -","- C26 H32 Fe N2 P2 Ru -","- C104 H128 Fe4 N8 P8 Ru4 -","4","0.5","","Aaron G. Green; Matthew D. Kiesz; Jeremy V. Oria; Andrew G. Elliott; Andrew K. Buechler; Johannes Hohenberger; Karsten Meyer; Jeffrey I. Zink; Paula L. Diaconescu","Characterization of an Iron-Ruthenium Interaction in a Ferrocene Diamide Complex","Inorganic Chemistry","2013","52","","5603","5610","10.1021/ic400773s","","","0.71073","MoKα","","0.0802","0.0732","","","0.1902","0.1982","","","","","","1.016","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334803","9.6936","0.0004","18.1092","0.0008","22.5803","0.0012","90","","90","","90","","3963.8","0.3","223","2","223","2","","","","","","","synthesis as described","6","P c m n","-P 2n 2ac","62","","","","- C38 H55 Cl2 Mo N3 O4 -","- C38 H55 Cl2 Mo N3 O4 -","- C152 H220 Cl8 Mo4 N12 O16 -","4","0.5","","Mikko M. Hänninen; Petriina Paturi; Heikki M. Tuononen; Reijo Sillanpää; Ari Lehtonen","Heptacoordinated Molybdenum(VI) Complexes of Phenylenediamine Bis(phenolate): A Stable Molybdenum Amidophenoxide Radical","Inorganic Chemistry","2013","52","","5714","5721","10.1021/ic302355b","","x-ray","0.71073","MoKα","","0.0455","0.0402","","","0.1057","0.1089","","","","","","1.119","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334804","30.4051","0.0003","18.9197","0.0002","45.7404","0.0005","90","","104.226","0.001","90","","25505.5","0.5","173","2","173","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H89 Mo N4 O4 -","- C68 H89 Mo N4 O4 -","- C1088 H1424 Mo16 N64 O64 -","16","2","","Mikko M. Hänninen; Petriina Paturi; Heikki M. Tuononen; Reijo Sillanpää; Ari Lehtonen","Heptacoordinated Molybdenum(VI) Complexes of Phenylenediamine Bis(phenolate): A Stable Molybdenum Amidophenoxide Radical","Inorganic Chemistry","2013","52","","5714","5721","10.1021/ic302355b","","x-ray","0.71073","MoKα","","0.0808","0.052","","","0.1023","0.1139","","","","","","1.053","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334805","8.797","0.002","9.277","0.002","10.069","0.002","106.68","0.02","104.19","0.02","93.56","0.02","755.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 Cl2 N2 Pt S2 -","- C8 H18 Cl2 N2 Pt S2 -","- C16 H36 Cl4 N4 Pt2 S4 -","2","1","","Paolo Sgarbossa; Silvia Mazzega Sbovata; Roberta Bertani; Mirto Mozzon; Franco Benetollo; Cristina Marzano; Valentina Gandin; Rino A. Michelin","Novel Imino Thioether Complexes of Platinum(II): Synthesis, Structural Investigation, and Biological Activity","Inorganic Chemistry","2013","52","","5729","5741","10.1021/ic3024452","","","0.71069","MoKα","","0.0256","0.0251","","","0.0605","0.0612","","","","","","1.202","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334806","12.989","0.003","14.486","0.003","18.594","0.003","90","","94.17","0.03","90","","3489.4","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cl2 N2 Pt S2 -","- C10 H22 Cl2 N2 Pt S2 -","- C80 H176 Cl16 N16 Pt8 S16 -","8","2","","Paolo Sgarbossa; Silvia Mazzega Sbovata; Roberta Bertani; Mirto Mozzon; Franco Benetollo; Cristina Marzano; Valentina Gandin; Rino A. Michelin","Novel Imino Thioether Complexes of Platinum(II): Synthesis, Structural Investigation, and Biological Activity","Inorganic Chemistry","2013","52","","5729","5741","10.1021/ic3024452","","","0.71073","MoKα","","0.0819","0.0632","","","0.142","0.1547","","","","","","1.353","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334807","13.275","0.003","13.337","0.003","14.836","0.003","104.16","0.03","94.14","0.02","109.02","0.03","2374.5","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Cl2 N2 Pt S2 -","- C20 H26 Cl2 N2 Pt S2 -","- C80 H104 Cl8 N8 Pt4 S8 -","4","2","","Paolo Sgarbossa; Silvia Mazzega Sbovata; Roberta Bertani; Mirto Mozzon; Franco Benetollo; Cristina Marzano; Valentina Gandin; Rino A. Michelin","Novel Imino Thioether Complexes of Platinum(II): Synthesis, Structural Investigation, and Biological Activity","Inorganic Chemistry","2013","52","","5729","5741","10.1021/ic3024452","","","0.71073","MoKα","","0.0696","0.0557","","","0.1292","0.139","","","","","","1.33","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334808","11.5837","0.0004","12.5411","0.0004","15.4083","0.0005","113.57","0.002","99.759","0.002","97.068","0.002","1976.33","0.12","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H41.5 F3 N3 O3.25 S Tl -","- C40 H39 F3 N3 O3 S Tl -","- C80 H78 F6 N6 O6 S2 Tl2 -","2","1","","Titel Jurca; Ilia Korobkov; Serge I. Gorelsky; Darrin S. Richeson","Noncovalent Interactions of Metal Cations and Arenes Probed with Thallium(I) Complexes","Inorganic Chemistry","2013","52","","5749","5756","10.1021/ic302552v","","","0.71073","MoKα","","0.0302","0.0256","","","0.0659","0.0677","","","","","","1.012","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334809","11.4925","0.0013","14.6601","0.0016","17.179","0.0015","105.615","0.005","103.016","0.005","97.86","0.006","2655.1","0.5","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.6 H56.5 F3 N3 O3.15 S Tl -","- C48.6 H56.5 F3 N3 O3.15 S Tl -","- C97.2 H113 F6 N6 O6.3 S2 Tl2 -","2","1","","Titel Jurca; Ilia Korobkov; Serge I. Gorelsky; Darrin S. Richeson","Noncovalent Interactions of Metal Cations and Arenes Probed with Thallium(I) Complexes","Inorganic Chemistry","2013","52","","5749","5756","10.1021/ic302552v","","","0.71073","MoKα","","0.1098","0.073","","","0.175","0.1987","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334810","30.9941","0.0017","20.8284","0.0013","19.4245","0.0012","90","","106.008","0.002","90","","12053.4","1.3","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52.5 H59.5 F3 N3 O3 S Tl -","- C52.5 H59.5 F3 N3 O3 S Tl -","- C420 H476 F24 N24 O24 S8 Tl8 -","8","1","","Titel Jurca; Ilia Korobkov; Serge I. Gorelsky; Darrin S. Richeson","Noncovalent Interactions of Metal Cations and Arenes Probed with Thallium(I) Complexes","Inorganic Chemistry","2013","52","","5749","5756","10.1021/ic302552v","","","0.71073","MoKα","","0.0659","0.0461","","","0.1339","0.1632","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334811","31.1041","0.0007","20.6691","0.0005","19.5116","0.0005","90","","106.28","0.001","90","","12040.9","0.5","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56.75 H67 F3 N3 O3 S Tl -","- C51.5 H59 F3 N3 O3 S Tl -","- C412 H472 F24 N24 O24 S8 Tl8 -","8","1","","Titel Jurca; Ilia Korobkov; Serge I. Gorelsky; Darrin S. Richeson","Noncovalent Interactions of Metal Cations and Arenes Probed with Thallium(I) Complexes","Inorganic Chemistry","2013","52","","5749","5756","10.1021/ic302552v","","","0.71073","MoKα","","0.0457","0.0329","","","0.09","0.0985","","","","","","1.011","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334812","20.815","0.0016","20.815","0.0016","35.285","0.005","90","","90","","120","","13240","2","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C135 H198 Cl2.5 Mn18 N28.5 O59 Sr -","- C130.02 H138 Cl2.46 Mn18 N28.56 O54.02 Sr -","- C390.06 H414 Cl7.38 Mn54 N85.68 O162.06 Sr3 -","3","0.166667","","Ayuk M. Ako; Boris Burger; Yanhua Lan; Valeriu Mereacre; Rodolphe Clérac; Gernot Buth; Silvia Gómez-Coca; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell","Magnetic Interactions Mediated by Diamagnetic Cations in [Mn18M] (M= Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters","Inorganic Chemistry","2013","52","","5764","5774","10.1021/ic3025588","","","0.71073","MoKα","","0.1146","0.0739","","","0.2001","0.2221","","","","","","0.977","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334813","20.9556","0.001","20.9556","0.001","34.328","0.002","90","","90","","120","","13055.1","1.2","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C131 H182 Mn18 N33 O64 Y -","- C130.98 H138 Mn18 N33 O63.98 Y -","- C392.94 H414 Mn54 N99 O191.94 Y3 -","3","0.166667","","Ayuk M. Ako; Boris Burger; Yanhua Lan; Valeriu Mereacre; Rodolphe Clérac; Gernot Buth; Silvia Gómez-Coca; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell","Magnetic Interactions Mediated by Diamagnetic Cations in [Mn18M] (M= Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters","Inorganic Chemistry","2013","52","","5764","5774","10.1021/ic3025588","","","0.71073","MoKα","","0.1162","0.0604","","","0.1425","0.165","","","","","","1.011","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334814","20.8765","0.0012","20.8765","0.0012","34.568","0.004","90","","90","","120","","13047.3","1.8","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C134.5 H196 Cd1.25 Cl3.7 Mn18 N26.4 O58.5 -","- C130.5 H138 Cd1.26 Cl3.74 Mn18 N26.4 O54.5 -","- C391.5 H414 Cd3.78 Cl11.22 Mn54 N79.2 O163.5 -","3","0.166667","","Ayuk M. Ako; Boris Burger; Yanhua Lan; Valeriu Mereacre; Rodolphe Clérac; Gernot Buth; Silvia Gómez-Coca; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell","Magnetic Interactions Mediated by Diamagnetic Cations in [Mn18M] (M= Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters","Inorganic Chemistry","2013","52","","5764","5774","10.1021/ic3025588","","","0.71073","MoKα","","0.1086","0.0508","","","0.1337","0.1641","","","","","","1.006","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334815","20.7696","0.0013","20.7696","0.0013","33.081","0.002","90","","90","","120","","12358.5","1.3","150","2","150","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C117 H139 Cl4.5 F12 Lu Mn18 N26.5 O54 -","- C117.06 H102 Cl4.5 F12 Lu Mn18 N26.52 O54.02 -","- C351.18 H306 Cl13.5 F36 Lu3 Mn54 N79.56 O162.06 -","3","0.166667","","Ayuk M. Ako; Boris Burger; Yanhua Lan; Valeriu Mereacre; Rodolphe Clérac; Gernot Buth; Silvia Gómez-Coca; Eliseo Ruiz; Christopher E. Anson; Annie K. Powell","Magnetic Interactions Mediated by Diamagnetic Cations in [Mn18M] (M= Sr2+, Y3+, Cd2+, and Lu3+) Coordination Clusters","Inorganic Chemistry","2013","52","","5764","5774","10.1021/ic3025588","","","0.8","synchrotron","","0.0663","0.0496","","","0.1545","0.1705","","","","","","1.048","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334816","9.099","0.002","10.769","0.003","14.734","0.004","73.561","0.004","77.913","0.004","70.602","0.005","1295.4","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 Fe Se4 -","- C28 H30 Fe Se4 -","- C56 H60 Fe2 Se8 -","2","1","","Wei Ji; Su Jing; Zeyu Liu; Jing Shen; Jing Ma; Dunru Zhu; Dengke Cao; Limin Zheng; Minxia Yao","Synthesis and Study of Three Novel Macrocyclic Selena[n]ferrocenophanes Containing a Naphthalene Unit","Inorganic Chemistry","2013","52","","5786","5793","10.1021/ic302628y","","","0.71073","MoKα","","0.0354","0.0268","","","0.0537","0.0547","","","","","","1.084","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334817","10.5443","0.0016","14.235","0.002","31.75","0.005","90","","90","","90","","4765.6","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 Fe Se4 -","- C26 H26 Fe Se4 -","- C208 H208 Fe8 Se32 -","8","2","","Wei Ji; Su Jing; Zeyu Liu; Jing Shen; Jing Ma; Dunru Zhu; Dengke Cao; Limin Zheng; Minxia Yao","Synthesis and Study of Three Novel Macrocyclic Selena[n]ferrocenophanes Containing a Naphthalene Unit","Inorganic Chemistry","2013","52","","5786","5793","10.1021/ic302628y","","","0.71073","MoKα","","0.0656","0.0407","","","0.0717","0.0762","","","","","","1.016","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334818","19.22","0.012","11.524","0.007","21.878","0.014","90","","90","","90","","4846","5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H26 Fe S2 Se2 -","- C26 H26 Fe S2 Se2 -","- C208 H208 Fe8 S16 Se16 -","8","1","","Wei Ji; Su Jing; Zeyu Liu; Jing Shen; Jing Ma; Dunru Zhu; Dengke Cao; Limin Zheng; Minxia Yao","Synthesis and Study of Three Novel Macrocyclic Selena[n]ferrocenophanes Containing a Naphthalene Unit","Inorganic Chemistry","2013","52","","5786","5793","10.1021/ic302628y","","","0.71073","MoKα","","0.0471","0.0294","","","0.0625","0.0663","","","","","","1.088","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334819","11.8549","0.0013","13.1283","0.0014","13.1835","0.0014","84.566","0.002","67.686","0.002","80.06","0.002","1868.7","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C30 H35 F12 Fe N O P2 Pd Se4 -","- C30 H35 F12 Fe N O P2 Pd Se4 -","- C60 H70 F24 Fe2 N2 O2 P4 Pd2 Se8 -","2","1","","Wei Ji; Su Jing; Zeyu Liu; Jing Shen; Jing Ma; Dunru Zhu; Dengke Cao; Limin Zheng; Minxia Yao","Synthesis and Study of Three Novel Macrocyclic Selena[n]ferrocenophanes Containing a Naphthalene Unit","Inorganic Chemistry","2013","52","","5786","5793","10.1021/ic302628y","","","0.71073","MoKα","","0.049","0.0391","","","0.0992","0.1018","","","","","","1.042","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334820","10.6758","0.0019","11.868","0.002","13.387","0.002","75.271","0.003","78.638","0.003","83.311","0.003","1604.3","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 F12 Fe P2 Pd Se4 -","- C26 H26 F12 Fe P2 Pd Se4 -","- C52 H52 F24 Fe2 P4 Pd2 Se8 -","2","1","","Wei Ji; Su Jing; Zeyu Liu; Jing Shen; Jing Ma; Dunru Zhu; Dengke Cao; Limin Zheng; Minxia Yao","Synthesis and Study of Three Novel Macrocyclic Selena[n]ferrocenophanes Containing a Naphthalene Unit","Inorganic Chemistry","2013","52","","5786","5793","10.1021/ic302628y","","","0.71073","MoKα","","0.0647","0.0552","","","0.1664","0.1743","","","","","","1.003","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334821","10.529","0.004","11.795","0.004","13.352","0.005","75.373","0.004","78.897","0.004","83.309","0.004","1570.4","1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H26 F12 Fe P2 Pd S2 Se2 -","- C26 H26 F12 Fe P2 Pd S2 Se2 -","- C52 H52 F24 Fe2 P4 Pd2 S4 Se4 -","2","1","","Wei Ji; Su Jing; Zeyu Liu; Jing Shen; Jing Ma; Dunru Zhu; Dengke Cao; Limin Zheng; Minxia Yao","Synthesis and Study of Three Novel Macrocyclic Selena[n]ferrocenophanes Containing a Naphthalene Unit","Inorganic Chemistry","2013","52","","5786","5793","10.1021/ic302628y","","","0.71073","MoKα","","0.0491","0.0384","","","0.1094","0.1149","","","","","","1.082","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334822","10.549","0.007","11.809","0.008","13.322","0.009","75.32","0.008","78.846","0.008","82.675","0.008","1569.7","1.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H26 F12 Fe P2 Pt S2 Se2 -","- C26 H26 F12 Fe P2 Pt S2 Se2 -","- C52 H52 F24 Fe2 P4 Pt2 S4 Se4 -","2","1","","Wei Ji; Su Jing; Zeyu Liu; Jing Shen; Jing Ma; Dunru Zhu; Dengke Cao; Limin Zheng; Minxia Yao","Synthesis and Study of Three Novel Macrocyclic Selena[n]ferrocenophanes Containing a Naphthalene Unit","Inorganic Chemistry","2013","52","","5786","5793","10.1021/ic302628y","","","0.71073","MoKα","","0.0525","0.0364","","","0.097","0.1027","","","","","","1.018","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334823","22.9841","0.0004","13.3899","0.0002","23.233","0.0005","90","","94.514","0.001","90","","7127.9","0.2","293","2","293","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cl2 Cu2 N4 O11 -","- C26 H26 Cl2 Cu2 N4 O11 -","- C208 H208 Cl16 Cu16 N32 O88 -","8","1","","Raffaello Papadakis; Eric Rivière; Michel Giorgi; Hélène Jamet; Pierre Rousselot-Pailley; Marius Réglier; A. Jalila Simaan; Thierry Tron","Structural and Magnetic Characterization of a Tetranuclear Copper(II) Cubane Stabilized by Intramolecular Metal Cation-π Interactions","Inorganic Chemistry","2013","52","","5824","5830","10.1021/ic3027545","","x-ray","0.71073","MoKα","","0.1025","0.066","","","0.1681","0.1931","","","","","","1.071","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334824","20.8464","0.0005","8.4305","0.0002","17.6443","0.0004","90","","90","","90","","3100.91","0.13","293","2","293","2","","","","","","","synthesis as described","6","P b c n","-P 2n 2ab","60","","","","- C28 H30 Cl2 Cu N4 O9 -","- C28 H30 Cl2 Cu N4 O9 -","- C112 H120 Cl8 Cu4 N16 O36 -","4","0.5","","Raffaello Papadakis; Eric Rivière; Michel Giorgi; Hélène Jamet; Pierre Rousselot-Pailley; Marius Réglier; A. Jalila Simaan; Thierry Tron","Structural and Magnetic Characterization of a Tetranuclear Copper(II) Cubane Stabilized by Intramolecular Metal Cation-π Interactions","Inorganic Chemistry","2013","52","","5824","5830","10.1021/ic3027545","","x-ray","0.71073","MoKα","","0.1155","0.0608","","","0.1771","0.2313","","","","","","1.065","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334825","9.0049","0.0003","9.091","0.0002","10.3035","0.0003","94.19","0.001","98.429","0.001","97.648","0.003","823.25","0.04","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C14 H17 Cl Cu N2 O6 -","- C14 H17 Cl Cu N2 O6 -","- C28 H34 Cl2 Cu2 N4 O12 -","2","1","","Raffaello Papadakis; Eric Rivière; Michel Giorgi; Hélène Jamet; Pierre Rousselot-Pailley; Marius Réglier; A. Jalila Simaan; Thierry Tron","Structural and Magnetic Characterization of a Tetranuclear Copper(II) Cubane Stabilized by Intramolecular Metal Cation-π Interactions","Inorganic Chemistry","2013","52","","5824","5830","10.1021/ic3027545","","x-ray","0.71073","MoKα","","0.0569","0.046","","","0.1265","0.1357","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334826","12.8283","0.0004","12.8833","0.0003","21.4442","0.0004","101.583","0.002","93.234","0.002","118.803","0.003","2993.57","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 F24 O24 Pb2 Ti2 -","- C40 H48 F24 O24 Pb2 Ti2 -","- C80 H96 F48 O48 Pb4 Ti4 -","2","1","","Muhammad Adil Mansoor; Azhani Ismail; Rosiyah Yahya; Zainudin Arifin; Edward R. T. Tiekink; Ng Seik Weng; Muhammad Mazhar; Ali Reza Esmaeili","Perovskite-Structured PbTiO3 Thin Films Grown from a Single-Source Precursor","Inorganic Chemistry","2013","52","","5624","5626","10.1021/ic302772b","","","0.71073","MoKα","","0.0559","0.0428","","","0.104","0.114","","","","","","1.025","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334827","6.8063","0.0002","6.8063","0.0002","9.9523","0.0007","90","","90","","90","","461.05","0.04","293","2","293","2","","","","","","","","4","I -4","I -4","82","","","","- B4 Cs2 Ge O9 -","- B4 Cs2 Ge O9 -","- B8 Cs4 Ge2 O18 -","2","0.25","","Xiang Xu; Chun-Li Hu; Fang Kong; Jian-Han Zhang; Jiang-Gao Mao; Junliang Sun","Cs2GeB4O9: a New Second-Order Nonlinear-Optical Crystal","Inorganic Chemistry","2013","52","","5831","5837","10.1021/ic302774h","","","0.71073","MoKα","","0.0223","0.0223","","","0.044","0.044","","","","","","1.049","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334828","11.2805","0.0008","13.893","0.0009","17.6101","0.0012","90","","90","","90","","2759.9","0.3","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 Cl2 N7 O9 Zn -","- C23 H25 Cl2 N7 O9 Zn -","- C92 H100 Cl8 N28 O36 Zn4 -","4","1","","J. Tyler Simmons; John R. Allen; Deborah R. Morris; Ronald J. Clark; Cathy W. Levenson; Michael W. Davidson; Lei Zhu","Integrated and Passive 1,2,3-Triazolyl Groups in Fluorescent Indicators for Zinc(II) Ions: Thermodynamic and Kinetic Evaluations","Inorganic Chemistry","2013","52","","5838","5850","10.1021/ic302798u","","","0.71073","MoKα","","0.0238","0.0231","","","0.0609","0.0612","","","","","","0.998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334829","15.4186","0.0008","15.5711","0.0009","19.5258","0.0011","90","","106.456","0.001","90","","4495.8","0.4","103","2","103","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H38 Br2 Cl2 N12 O8 Zn -","- C42 H38 Br2 Cl2 N12 O8 Zn -","- C168 H152 Br8 Cl8 N48 O32 Zn4 -","4","0.5","","J. Tyler Simmons; John R. Allen; Deborah R. Morris; Ronald J. Clark; Cathy W. Levenson; Michael W. Davidson; Lei Zhu","Integrated and Passive 1,2,3-Triazolyl Groups in Fluorescent Indicators for Zinc(II) Ions: Thermodynamic and Kinetic Evaluations","Inorganic Chemistry","2013","52","","5838","5850","10.1021/ic302798u","","","0.71073","MoKα","","0.0399","0.0357","","","0.0732","0.0749","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334830","13.0713","0.0009","12.6041","0.0009","54.691","0.004","90","","93.039","0.001","90","","8997.8","1.1","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24.33333 H24 Br Cl2 N7.66667 O8 Zn -","- C24.3333 H24 Br Cl2 N7.66667 O8 Zn -","- C292 H288 Br12 Cl24 N92 O96 Zn12 -","12","3","","J. Tyler Simmons; John R. Allen; Deborah R. Morris; Ronald J. Clark; Cathy W. Levenson; Michael W. Davidson; Lei Zhu","Integrated and Passive 1,2,3-Triazolyl Groups in Fluorescent Indicators for Zinc(II) Ions: Thermodynamic and Kinetic Evaluations","Inorganic Chemistry","2013","52","","5838","5850","10.1021/ic302798u","","","0.71073","MoKα","","0.0698","0.0627","","","0.1925","0.1959","","","","","","1.585","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334831","4.433","0.002","20.9","0.011","30.555","0.016","90","","90","","90","","2831","2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N6 O8 S -","- C23 H16 N6 O8 S -","- C92 H64 N24 O32 S4 -","4","1","","Rui Li; Yanxia Zhao; Shaoguang Li; Peiju Yang; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands","Inorganic Chemistry","2013","52","","5851","5860","10.1021/ic3028012","","","0.71073","MoKα","","0.101","0.0699","","","0.2065","0.2186","","","","","","1.018","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334832","18.144","0.007","9.601","0.004","14.162","0.006","90","","90.816","0.006","90","","2466.8","1.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N6 O5 S3 -","- C22 H22 N6 O5 S3 -","- C88 H88 N24 O20 S12 -","4","1","","Rui Li; Yanxia Zhao; Shaoguang Li; Peiju Yang; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands","Inorganic Chemistry","2013","52","","5851","5860","10.1021/ic3028012","","","0.71073","MoKα","","0.077","0.0482","","","0.0924","0.1045","","","","","","1.005","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334833","13.657","0.008","12.406","0.007","17.445","0.01","90","","90.859","0.008","90","","2955","3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N6 O6 S4 -","- C24 H28 N6 O6 S4 -","- C96 H112 N24 O24 S16 -","4","1","","Rui Li; Yanxia Zhao; Shaoguang Li; Peiju Yang; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands","Inorganic Chemistry","2013","52","","5851","5860","10.1021/ic3028012","","","0.71073","MoKα","","0.1454","0.0936","","","0.1612","0.1877","","","","","","1","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334834","15.349","0.003","17.38","0.004","25.465","0.005","109.489","0.002","106.656","0.003","90.163","0.003","6099","2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H132 K2 N18 O34 P2 -","- C100 H132 K2 N18 O34 P2 -","- C200 H264 K4 N36 O68 P4 -","2","1","","Rui Li; Yanxia Zhao; Shaoguang Li; Peiju Yang; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands","Inorganic Chemistry","2013","52","","5851","5860","10.1021/ic3028012","","","0.71073","MoKα","","0.1392","0.1099","","","0.2166","0.2296","","","","","","1.077","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334835","12.001","0.0009","15.0158","0.0012","22.815","0.0018","85.998","0.001","86.391","0.001","71.308","0.001","3881.4","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H86 K2 N12 O29 S -","- C67 H86 K2 N12 O29 S -","- C134 H172 K4 N24 O58 S2 -","2","1","","Rui Li; Yanxia Zhao; Shaoguang Li; Peiju Yang; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands","Inorganic Chemistry","2013","52","","5851","5860","10.1021/ic3028012","","","0.71073","MoKα","","0.0471","0.0379","","","0.0839","0.0941","","","","","","1","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334836","8.3476","0.0007","11.1908","0.001","16.67","0.0015","87.865","0.001","85.236","0.001","77.412","0.001","1514.3","0.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H43 K N4 O11 -","- C25 H43 K N4 O11 -","- C50 H86 K2 N8 O22 -","2","1","","Rui Li; Yanxia Zhao; Shaoguang Li; Peiju Yang; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands","Inorganic Chemistry","2013","52","","5851","5860","10.1021/ic3028012","","","0.71073","MoKα","","0.043","0.0351","","","0.083","0.0898","","","","","","1.004","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334837","9.123","0.002","20.426","0.005","13.377","0.004","90","","107.893","0.003","90","","2372.2","1.1","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H76 N10 O7 -","- C41 H76 N10 O7 -","- C82 H152 N20 O14 -","2","0.5","","Rui Li; Yanxia Zhao; Shaoguang Li; Peiju Yang; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands","Inorganic Chemistry","2013","52","","5851","5860","10.1021/ic3028012","","","0.71073","MoKα","","0.1324","0.0924","","","0.154","0.1711","","","","","","1.005","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334838","24.135","0.006","13.34","0.003","22.62","0.009","90","","112.186","0.003","90","","6744","4","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H98 N15 O14 P -","- C48 H90 N15 O14 P -","- C192 H360 N60 O56 P4 -","4","1","","Rui Li; Yanxia Zhao; Shaoguang Li; Peiju Yang; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands","Inorganic Chemistry","2013","52","","5851","5860","10.1021/ic3028012","","","0.71073","MoKα","","0.1134","0.0772","","","0.1669","0.1846","","","","","","1.004","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334839","18.1963","0.0016","18.2842","0.0016","22.399","0.002","77.759","0.001","72.824","0.001","61.722","0.001","6247.1","1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H156 N21 O16 P S6 -","- C108 H156 N21 O16 P S6 -","- C216 H312 N42 O32 P2 S12 -","2","1","","Rui Li; Yanxia Zhao; Shaoguang Li; Peiju Yang; Xiaojuan Huang; Xiao-Juan Yang; Biao Wu","Tris Chelating Phosphate Complexes of Bis(thio)urea Ligands","Inorganic Chemistry","2013","52","","5851","5860","10.1021/ic3028012","","","0.71073","MoKα","","0.1192","0.0846","","","0.1788","0.1904","","","","","","1.002","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334840","13.9539","0.0003","15.7757","0.0004","17.1535","0.0003","74.69","0.002","86.49","0.002","66.19","0.002","3327.65","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H93 Ge6.68 N11 O12 Rb3 Si2.32 -","- C36 H72 Ge6.828 N11 O12 Rb3 Si2.172 -","- C72 H144 Ge13.656 N22 O24 Rb6 Si4.344 -","2","1","","Markus Waibel; Thomas F. Fässler","Mixed Si/Ge Nine-Atom Zintl Clusters: ESI Mass Spectrometric Investigations and Single-Crystal Structure Determination of Paramagnetic [Si9-xGex]3-","Inorganic Chemistry","2013","52","","5861","5866","10.1021/ic302802h","","","0.71073","MoKα","","0.0719","0.0372","","","0.0837","0.0893","","","","","","0.905","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334841","14.1713","0.0005","15.1574","0.0006","22.9195","0.0009","80.251","0.003","84.862","0.003","66.63","0.004","4452.6","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H132 Ge6.81 N14 O18 Rb3 Si2.2 -","- C54 H132 Ge6.808 N14 O18 Rb3 Si2.192 -","- C108 H264 Ge13.616 N28 O36 Rb6 Si4.384 -","2","1","","Markus Waibel; Thomas F. Fässler","Mixed Si/Ge Nine-Atom Zintl Clusters: ESI Mass Spectrometric Investigations and Single-Crystal Structure Determination of Paramagnetic [Si9-xGex]3-","Inorganic Chemistry","2013","52","","5861","5866","10.1021/ic302802h","","","0.71073","MoKα","","0.1716","0.0621","","","0.0852","0.1039","","","","","","0.826","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334842","14.1673","0.0008","15.1827","0.0008","22.9666","0.0013","80.043","0.002","84.853","0.003","66.496","0.002","4460.8","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H133.53 Ge6.63 K3 N14.51 O18 Si2.38 -","- C54 H133.53 Ge6.624 K3 N14.51 O18 Si2.376 -","- C108 H267.06 Ge13.248 K6 N29.02 O36 Si4.752 -","2","1","","Markus Waibel; Thomas F. Fässler","Mixed Si/Ge Nine-Atom Zintl Clusters: ESI Mass Spectrometric Investigations and Single-Crystal Structure Determination of Paramagnetic [Si9-xGex]3-","Inorganic Chemistry","2013","52","","5861","5866","10.1021/ic302802h","","","0.71073","MoKα","","0.0877","0.0554","","","0.1325","0.1439","","","","","","0.955","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334843","14.1056","0.0005","15.143","0.0004","22.8797","0.0006","80.15","0.002","84.792","0.002","66.546","0.003","4415.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H133.37 Ge4.43 K3 N14.45 O18 Si4.57 -","- C54 H133.371 Ge4.437 K3 N14.457 O18 Si4.563 -","- C108 H266.742 Ge8.874 K6 N28.914 O36 Si9.126 -","2","1","","Markus Waibel; Thomas F. Fässler","Mixed Si/Ge Nine-Atom Zintl Clusters: ESI Mass Spectrometric Investigations and Single-Crystal Structure Determination of Paramagnetic [Si9-xGex]3-","Inorganic Chemistry","2013","52","","5861","5866","10.1021/ic302802h","","","0.71073","MoKα","","0.142","0.0732","","","0.1227","0.1402","","","","","","0.975","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334844","13.0288","0.0012","13.267","0.0013","16.962","0.0016","90","","109.168","0.002","90","","2769.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H19 F6 N7 O2 Os -","- C28.5 H19 F6 N7 O2 Os -","- C114 H76 F24 N28 O8 Os4 -","4","1","","Shih-Han Chang; Chun-Fu Chang; Jia-Ling Liao; Yun Chi; Dong-Ying Zhou; Liang-Sheng Liao; Tzung-Ying Jiang; Tsao-Pei Chou; Elise Y. Li; Gene-Hsiang Lee; Ting-Yi Kuo; Pi-Tai Chou","Emissive Osmium(II) Complexes with Tetradentate Bis(pyridylpyrazolate) Chelates","Inorganic Chemistry","2013","52","","5867","5875","10.1021/ic302829e","","","0.71073","MoKα","","0.0373","0.0311","","","0.0709","0.0741","","","","","","1.042","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334845","12.5123","0.0009","20.0068","0.0014","17.7109","0.0012","90","","93.438","0.002","90","","4425.6","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H41 F6 N7 O Os P2 -","- C50 H41 F6 N7 O Os P2 -","- C200 H164 F24 N28 O4 Os4 P8 -","4","1","","Shih-Han Chang; Chun-Fu Chang; Jia-Ling Liao; Yun Chi; Dong-Ying Zhou; Liang-Sheng Liao; Tzung-Ying Jiang; Tsao-Pei Chou; Elise Y. Li; Gene-Hsiang Lee; Ting-Yi Kuo; Pi-Tai Chou","Emissive Osmium(II) Complexes with Tetradentate Bis(pyridylpyrazolate) Chelates","Inorganic Chemistry","2013","52","","5867","5875","10.1021/ic302829e","","","0.71073","MoKα","","0.0669","0.0461","","","0.078","0.0849","","","","","","1.081","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334846","14.866","0.003","14.944","0.003","19.184","0.004","90","","107.44","0.005","90","","4066","1.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 Cl F10 P3 Pt S2 -","- C40 H34 Cl F10 P3 Pt S2 -","- C160 H136 Cl4 F40 P12 Pt4 S8 -","4","1","","Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles","Inorganic Chemistry","2013","52","","5876","5888","10.1021/ic302855f","","","1.54178","CuKα","","0.0222","0.0211","","","0.0555","0.0563","","","","","","1.014","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334847","18.4113","0.0005","18.8566","0.0005","26.4263","0.0006","90","","90","","90","","9174.5","0.4","100","2","99.99","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C40 H34 B2 F12 P2 Pt S2 -","- C40 H34 B2 F12 P2 Pt S2 -","- C320 H272 B16 F96 P16 Pt8 S16 -","8","1","","Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles","Inorganic Chemistry","2013","52","","5876","5888","10.1021/ic302855f","","","1.54184","CuKα","","0.0848","0.0778","","","0.166","0.1686","","","","","","1.2","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334848","13.0672","0.0005","18.0102","0.0007","18.87","0.0007","67.441","0.001","88.857","0.001","82.232","0.002","4061","0.3","100","2","99.92","","","","","","","","","8","P -1","-P 1","2","","","","- C81 H78 Cl4 F12 O2 P6 Pt2 S2 -","- C81 H78 Cl4 F12 O2 P6 Pt2 S2 -","- C162 H156 Cl8 F24 O4 P12 Pt4 S4 -","2","1","","Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles","Inorganic Chemistry","2013","52","","5876","5888","10.1021/ic302855f","","","1.54178","CuKα","","0.037","0.0364","","","0.0917","0.0921","","","","","","1.164","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334849","33.119","0.002","14.5771","0.0009","19.2336","0.0011","90","","93.89","0.003","90","","9264.2","1","100","2","100.03","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H45 Cl3 F6 N P3 Pt S -","- C47 H45 Cl3 F6 N P3 Pt S -","- C376 H360 Cl24 F48 N8 P24 Pt8 S8 -","8","1","","Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles","Inorganic Chemistry","2013","52","","5876","5888","10.1021/ic302855f","","","0.71073","MoKα","","0.0302","0.023","","","0.0571","0.0643","","","","","","1.113","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334850","10.9111","0.0006","12.1702","0.0007","17.4669","0.0009","74.975","0.004","73.298","0.003","71.073","0.003","2065.9","0.2","100","2","100.02","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H70 Cl6 F16 P6 Pt2 S4 -","- C76 H70 Cl6 F16 P6 Pt2 S4 -","- C76 H70 Cl6 F16 P6 Pt2 S4 -","1","0.5","","Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles","Inorganic Chemistry","2013","52","","5876","5888","10.1021/ic302855f","","","0.71073","MoKα","","0.0833","0.0511","","","0.1169","0.1339","","","","","","1.026","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334851","13.2613","0.0003","18.7487","0.0005","18.4005","0.0005","90","","96.62","0.001","90","","4544.5","0.2","100","2","99.99","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C78 H78 F28 N4 O8 P8 Pt2 S4 -","- C78 H78 F28 N4 O8 P8 Pt2 S4 -","- C156 H156 F56 N8 O16 P16 Pt4 S8 -","2","0.5","","Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles","Inorganic Chemistry","2013","52","","5876","5888","10.1021/ic302855f","","","1.54184","CuKα","","0.0372","0.0334","","","0.0856","0.0883","","","","","","1.093","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334852","19.07","0.0005","19.9041","0.0005","21.2995","0.0007","75.872","0.002","71.167","0.002","69.487","0.002","7088","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C132 H80 B2 Cl2 F56 P4 Pt2 S4 -","- C132 H80 B2 Cl2 F56 P4 Pt2 S4 -","- C264 H160 B4 Cl4 F112 P8 Pt4 S8 -","2","1","","Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles","Inorganic Chemistry","2013","52","","5876","5888","10.1021/ic302855f","","","1.54178","CuKα","","0.1463","0.0915","","","0.2185","0.2388","","","","","","1.046","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334853","10.462","0.0007","12.1271","0.0008","16.5965","0.001","72.17","0.003","89.901","0.003","65.329","0.003","1802.1","0.2","100","2","100.01","","","","","","","","","8","P -1","-P 1","2","","","","- C76 H76 Cl4 F8 O2 P4 Pt2 S4 -","- C76 H76 Cl4 F8 O2 P4 Pt2 S4 -","- C76 H76 Cl4 F8 O2 P4 Pt2 S4 -","1","0.5","","Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles","Inorganic Chemistry","2013","52","","5876","5888","10.1021/ic302855f","","","0.71073","MoKα","","0.0469","0.0397","","","0.1022","0.1101","","","","","","1.088","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334854","13.9615","0.0004","15.6257","0.0004","17.9547","0.0005","90","","110.244","0.001","90","","3675","0.18","118","2","118","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 B4 F24 P4 Pt2 S4 -","- C68 H56 B4 F24 P4 Pt2 S4 -","- C136 H112 B8 F48 P8 Pt4 S8 -","2","0.5","","Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles","Inorganic Chemistry","2013","52","","5876","5888","10.1021/ic302855f","","","1.54178","CuKα","","0.0434","0.0381","","","0.1008","0.1054","","","","","","1.065","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334855","20.2651","0.0005","20.2651","0.0005","43.292","0.0009","90","","90","","90","","17778.9","0.7","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C68 H64 F24 P8 Pt2 S4 -","- C68 H64 F24 P8 Pt2 S4 -","- C544 H512 F192 P64 Pt16 S32 -","8","0.5","","Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles","Inorganic Chemistry","2013","52","","5876","5888","10.1021/ic302855f","","","1.54178","CuKα","","0.1299","0.097","","","0.2577","0.2814","","","","","","1.029","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334856","15.5695","0.0004","16.0911","0.0004","16.9236","0.0005","89.9189","0.0013","76.2852","0.0012","70.1689","0.0013","3860.21","0.18","100","2","99.98","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H64 B4 F16 P4 Pt2 S4 -","- C68 H64 B4 F16 P4 Pt2 S4 -","- C136 H128 B8 F32 P8 Pt4 S8 -","2","1","","Robert D. Kennedy; Charles W. Machan; C. Michael McGuirk; Mari S. Rosen; Charlotte L. Stern; Amy A. Sarjeant; Chad A. Mirkin","General Strategy for the Synthesis of Rigid Weak-Link Approach Platinum(II) Complexes: Tweezers, Triple-Layer Complexes, and Macrocycles","Inorganic Chemistry","2013","52","","5876","5888","10.1021/ic302855f","","","0.71073","MoKα","","0.0517","0.0344","","","0.0847","0.0917","","","","","","1.098","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334857","8.7808","0.0004","10.5584","0.0004","13.6098","0.0006","67.785","0.0014","89.1974","0.0015","80.9034","0.0015","1151.98","0.09","140","2","140","2","","","","","","","synthesis","5","P -1","-P 1","2","","","","- C36 H50 F12 Fe2 O10 -","- C36 H50 F12 Fe2 O10 -","- C36 H50 F12 Fe2 O10 -","1","0.5","","Luca Rigamonti; Marco Piccioli; Luigi Malavolti; Lorenzo Poggini; Matteo Mannini; Federico Totti; Brunetto Cortigiani; Agnese Magnani; Roberta Sessoli; Andrea Cornia","Enhanced Vapor-Phase Processing in Fluorinated Fe4 Single-Molecule Magnets","Inorganic Chemistry","2013","52","","5897","5905","10.1021/ic400037c","","","0.71073","MoKα","","0.0463","0.0368","","","0.0988","0.1042","","","","","","1.034","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334858","19.4937","0.0006","7.9695","0.0003","21.0687","0.0007","90","","90","","90","","3273.13","0.19","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C32 H50 Fe N4 -","- C32 H50 Fe N4 -","- C128 H200 Fe4 N16 -","4","0.5","","Long Zhang; Li Xiang; Yihua Yu; Liang Deng","Reactivity of a Bis(amidinato)iron(II) Complex [Fe(MesC(NPri)2)2] toward Some Oxidizing Reagents","Inorganic Chemistry","2013","52","","5906","5913","10.1021/ic400053g","","","0.71073","MoKα","","0.0379","0.0322","","","0.0889","0.0962","","","","","","1.079","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334859","12.0698","0.0013","12.6784","0.0013","22.399","0.002","90","","104.873","0.002","90","","3312.8","0.6","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 Cl Fe N4 -","- C32 H50 Cl Fe N4 -","- C128 H200 Cl4 Fe4 N16 -","4","1","","Long Zhang; Li Xiang; Yihua Yu; Liang Deng","Reactivity of a Bis(amidinato)iron(II) Complex [Fe(MesC(NPri)2)2] toward Some Oxidizing Reagents","Inorganic Chemistry","2013","52","","5906","5913","10.1021/ic400053g","","","0.71073","MoKα","","0.0663","0.0396","","","0.0948","0.1063","","","","","","1.015","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334860","9.522","0.0013","11.688","0.0016","15.649","0.002","98.995","0.003","98.091","0.003","101","0.003","1662.3","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H50 Fe N4 S2 -","- C32 H50 Fe N4 S2 -","- C64 H100 Fe2 N8 S4 -","2","1","","Long Zhang; Li Xiang; Yihua Yu; Liang Deng","Reactivity of a Bis(amidinato)iron(II) Complex [Fe(MesC(NPri)2)2] toward Some Oxidizing Reagents","Inorganic Chemistry","2013","52","","5906","5913","10.1021/ic400053g","","","0.71073","MoKα","","0.1043","0.051","","","0.0978","0.1164","","","","","","0.986","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334861","8.5695","0.0012","12.4002","0.0017","19.574","0.003","101.176","0.002","90.958","0.002","108.057","0.002","1933.5","0.5","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H59 Fe N5 -","- C40 H59 Fe N5 -","- C80 H118 Fe2 N10 -","2","1","","Long Zhang; Li Xiang; Yihua Yu; Liang Deng","Reactivity of a Bis(amidinato)iron(II) Complex [Fe(MesC(NPri)2)2] toward Some Oxidizing Reagents","Inorganic Chemistry","2013","52","","5906","5913","10.1021/ic400053g","","","0.71073","MoKα","","0.0761","0.0569","","","0.1699","0.1821","","","","","","1.096","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334862","10.948","0.0003","27.9002","0.0007","21.9486","0.0006","90","","103.653","0.001","90","","6514.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H100 Fe2 N8 O -","- C64 H100 Fe2 N8 O -","- C256 H400 Fe8 N32 O4 -","4","1","","Long Zhang; Li Xiang; Yihua Yu; Liang Deng","Reactivity of a Bis(amidinato)iron(II) Complex [Fe(MesC(NPri)2)2] toward Some Oxidizing Reagents","Inorganic Chemistry","2013","52","","5906","5913","10.1021/ic400053g","","","0.71073","MoKα","","0.0951","0.0515","","","0.1277","0.1589","","","","","","0.982","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334863","8.3872","0.0004","5.6936","0.0003","25.8904","0.0012","90","","100.486","0.004","90","","1215.71","0.1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Ag N4 O3 -","- C11 H11 Ag N4 O3 -","- C44 H44 Ag4 N16 O12 -","4","1","","Zhu-Yan Zhang; Zhao-Peng Deng; Li-Hua Huo; Hui Zhao; Shan Gao","Well-Designed Strategy To Construct Helical Silver(I) Coordination Polymers from Flexible Unsymmetrical Bis(pyridyl) Ligands: Syntheses, Structures, and Properties","Inorganic Chemistry","2013","52","","5914","5923","10.1021/ic400055t","","","0.71073","MoKα","","0.0281","0.0262","","","0.065","0.0664","","","","","","1.024","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334864","9.6939","0.0019","9.5621","0.0019","13.715","0.003","90","","102.13","0.03","90","","1242.9","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Ag N4 O3 -","- C11 H11 Ag N4 O3 -","- C44 H44 Ag4 N16 O12 -","4","1","","Zhu-Yan Zhang; Zhao-Peng Deng; Li-Hua Huo; Hui Zhao; Shan Gao","Well-Designed Strategy To Construct Helical Silver(I) Coordination Polymers from Flexible Unsymmetrical Bis(pyridyl) Ligands: Syntheses, Structures, and Properties","Inorganic Chemistry","2013","52","","5914","5923","10.1021/ic400055t","","","0.71073","MoKα","","0.123","0.061","","","0.1356","0.1605","","","","","","1.054","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334865","7.3958","0.0015","17.016","0.003","10.135","0.002","90","","90.6","0.03","90","","1275.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Ag N4 O3 -","- C11 H11 Ag N4 O3 -","- C44 H44 Ag4 N16 O12 -","4","1","","Zhu-Yan Zhang; Zhao-Peng Deng; Li-Hua Huo; Hui Zhao; Shan Gao","Well-Designed Strategy To Construct Helical Silver(I) Coordination Polymers from Flexible Unsymmetrical Bis(pyridyl) Ligands: Syntheses, Structures, and Properties","Inorganic Chemistry","2013","52","","5914","5923","10.1021/ic400055t","","","0.71073","MoKα","","0.0896","0.0414","","","0.0944","0.1412","","","","","","1.078","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334866","7.1294","0.0003","11.9506","0.0004","15.2184","0.0005","90","","90","","90","","1296.62","0.08","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 Ag N4 O3 -","- C11 H11 Ag N4 O3 -","- C44 H44 Ag4 N16 O12 -","4","1","","Zhu-Yan Zhang; Zhao-Peng Deng; Li-Hua Huo; Hui Zhao; Shan Gao","Well-Designed Strategy To Construct Helical Silver(I) Coordination Polymers from Flexible Unsymmetrical Bis(pyridyl) Ligands: Syntheses, Structures, and Properties","Inorganic Chemistry","2013","52","","5914","5923","10.1021/ic400055t","","","0.71073","MoKα","","0.0589","0.0449","","","0.0745","0.0818","","","","","","1.033","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334867","9.6867","0.0019","10.515","0.002","13.614","0.003","90","","108.63","0.03","90","","1314","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Ag Cl N3 O4 -","- C11 H11 Ag Cl N3 O4 -","- C44 H44 Ag4 Cl4 N12 O16 -","4","1","","Zhu-Yan Zhang; Zhao-Peng Deng; Li-Hua Huo; Hui Zhao; Shan Gao","Well-Designed Strategy To Construct Helical Silver(I) Coordination Polymers from Flexible Unsymmetrical Bis(pyridyl) Ligands: Syntheses, Structures, and Properties","Inorganic Chemistry","2013","52","","5914","5923","10.1021/ic400055t","","","0.71073","MoKα","","0.0728","0.0668","","","0.0864","0.1041","","","","","","1.003","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334868","9.6773","0.0019","10.423","0.002","13.666","0.003","90","","108.94","0.03","90","","1303.8","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Ag Cl N3 O4 -","- C11 H11 Ag Cl N3 O4 -","- C44 H44 Ag4 Cl4 N12 O16 -","4","1","","Zhu-Yan Zhang; Zhao-Peng Deng; Li-Hua Huo; Hui Zhao; Shan Gao","Well-Designed Strategy To Construct Helical Silver(I) Coordination Polymers from Flexible Unsymmetrical Bis(pyridyl) Ligands: Syntheses, Structures, and Properties","Inorganic Chemistry","2013","52","","5914","5923","10.1021/ic400055t","","","0.71073","MoKα","","0.0636","0.0467","","","0.0833","0.1363","","","","","","1.099","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334869","8.0592","0.0016","16.813","0.003","10.417","0.002","90","","90.19","0.03","90","","1411.5","0.5","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Ag Cl N3 O4 -","- C11 H11 Ag Cl N3 O4 -","- C44 H44 Ag4 Cl4 N12 O16 -","4","1","","Zhu-Yan Zhang; Zhao-Peng Deng; Li-Hua Huo; Hui Zhao; Shan Gao","Well-Designed Strategy To Construct Helical Silver(I) Coordination Polymers from Flexible Unsymmetrical Bis(pyridyl) Ligands: Syntheses, Structures, and Properties","Inorganic Chemistry","2013","52","","5914","5923","10.1021/ic400055t","","","0.71073","MoKα","","0.0675","0.0639","","","0.1838","0.1858","","","","","","1.057","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334870","11.591","0.002","16.092","0.003","15.338","0.003","90","","99.32","0.03","90","","2823.1","0.9","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Ag2 Cl2 N6 O8 -","- C22 H22 Ag2 Cl2 N6 O8 -","- C88 H88 Ag8 Cl8 N24 O32 -","4","1","","Zhu-Yan Zhang; Zhao-Peng Deng; Li-Hua Huo; Hui Zhao; Shan Gao","Well-Designed Strategy To Construct Helical Silver(I) Coordination Polymers from Flexible Unsymmetrical Bis(pyridyl) Ligands: Syntheses, Structures, and Properties","Inorganic Chemistry","2013","52","","5914","5923","10.1021/ic400055t","","","0.71073","MoKα","","0.0718","0.0553","","","0.1726","0.1937","","","","","","1.013","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334871","11.8561","0.0009","13.7579","0.001","16.2812","0.0014","89.96","0.009","85.088","0.01","71.289","0.008","2505.1","0.4","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H64 B Mo P2 -","- C62 H64 B Mo P2 -","- C124 H128 B2 Mo2 P4 -","2","1","","Gerald C. Stephan; Christian Näther; Gerhard Peters; Felix Tuczek","Molybdenum 17- and 18-Electron Bis- and Tris(Butadiene) Complexes: Electronic Structures, Spectroscopic Properties, and Oxidative Ligand Substitution Reactions","Inorganic Chemistry","2013","52","","5931","5942","10.1021/ic400145f","","","0.71073","MoKα","","0.0628","0.0494","","","0.1321","0.1381","","","","","","1.054","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334872","9.7111","0.0006","12.4543","0.0006","26.2801","0.0019","90","","91.701","0.008","90","","3177","0.3","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 Mo P2 -","- C38 H44 Mo P2 -","- C152 H176 Mo4 P8 -","4","1","","Gerald C. Stephan; Christian Näther; Gerhard Peters; Felix Tuczek","Molybdenum 17- and 18-Electron Bis- and Tris(Butadiene) Complexes: Electronic Structures, Spectroscopic Properties, and Oxidative Ligand Substitution Reactions","Inorganic Chemistry","2013","52","","5931","5942","10.1021/ic400145f","","","0.71073","MoKα","","0.0332","0.0268","","","0.0683","0.0704","","","","","","1.033","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334873","9.8666","0.0005","22.528","0.0016","21.175","0.0011","90","","92.678","0.006","90","","4701.5","0.5","170","2","170","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H48 B F6 Mo P4 -","- C52 H48 B F6 Mo P4 -","- C208 H192 B4 F24 Mo4 P16 -","4","1","","Gerald C. Stephan; Christian Näther; Gerhard Peters; Felix Tuczek","Molybdenum 17- and 18-Electron Bis- and Tris(Butadiene) Complexes: Electronic Structures, Spectroscopic Properties, and Oxidative Ligand Substitution Reactions","Inorganic Chemistry","2013","52","","5931","5942","10.1021/ic400145f","","","0.71073","MoKα","","0.0344","0.0324","","","0.0808","0.0817","","","","","","1.029","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334874","9.3607","0.0009","22.276","0.005","13.218","0.003","90","","103.525","0.011","90","","2679.8","0.9","200","2","200","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl4 Fe K O3 S4 -","- C20 H22 Cl4 Fe K O3 S4 -","- C80 H88 Cl16 Fe4 K4 O12 S16 -","4","1","","Pilar Amo-Ochoa; Esther Delgado; Carlos J. Gómez-García; Diego Hernández; Elisa Hernández; Avelino Martin; Félix Zamora","Electrical Bistability around Room Temperature in an Unprecedented One-Dimensional Coordination Magnetic Polymer","Inorganic Chemistry","2013","52","","5943","5950","10.1021/ic400158q","","x-ray","0.71073","MoKα","","0.1203","0.0454","","","0.0933","0.111","","","","","","0.97","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334875","42.5046","0.0014","9.9891","0.0003","9.0748","0.0003","90","","101.875","0.003","90","","3770.5","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H22 N O0.5 Pt S -","- C22.5 H22 N O0.5 Pt S -","- C180 H176 N8 O4 Pt8 S8 -","8","1","","Úrsula Belío; Sara Fuertes; Antonio Martín","Synthesis and Characterization of a ""Pt3Tl"" Cluster Containing an Unprecedented Trigonal Environment for Thallium(I)","Inorganic Chemistry","2013","52","","5627","5629","10.1021/ic400167w","","","0.71073","MoKα","","0.0188","0.0182","","","0.0456","0.046","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334876","15.6681","0.0008","15.6681","0.0008","13.2867","0.0008","90","","90","","120","","2824.8","0.3","100","2","100","2","","","","","","","","8","P -6 2 c","P -6c -2c","190","","","","- C63 H57 F6 N3 P Pt3 S3 Tl -","- C63 H57 F5.96 N3 P Pt3 S3 Tl -","- C126 H114 F11.92 N6 P2 Pt6 S6 Tl2 -","2","0.166667","","Úrsula Belío; Sara Fuertes; Antonio Martín","Synthesis and Characterization of a ""Pt3Tl"" Cluster Containing an Unprecedented Trigonal Environment for Thallium(I)","Inorganic Chemistry","2013","52","","5627","5629","10.1021/ic400167w","","","0.71073","MoKα","","0.0341","0.0331","","","0.0889","0.0894","","","","","","1.043","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334877","19.6224","0.001","20.1504","0.001","22.1286","0.0011","90","","91.938","0.003","90","","8744.6","0.8","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C205 H220 Ce2 Li2 O14 -","- C205 H220 Ce2 Li2 O14 -","- C410 H440 Ce4 Li4 O28 -","2","0.5","","Brian D. Mahoney; Nicholas A. Piro; Patrick J. Carroll; Eric J. Schelter","Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes","Inorganic Chemistry","2013","52","","5970","5977","10.1021/ic400202r","","","0.71073","MoKα","","0.0647","0.0412","","","0.0873","0.1045","","","","","","1.066","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334878","17.977","0.0012","19.4552","0.0013","18.0408","0.0012","90","","93.931","0.003","90","","6294.9","0.7","143","1","143","1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C68 H92 La Li N2 O7 -","- C68 H92 La Li N2 O7 -","- C272 H368 La4 Li4 N8 O28 -","4","2","","Brian D. Mahoney; Nicholas A. Piro; Patrick J. Carroll; Eric J. Schelter","Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes","Inorganic Chemistry","2013","52","","5970","5977","10.1021/ic400202r","","","0.71073","MoKα","","0.0534","0.0496","","","0.1108","0.1133","","","","","","1.147","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334879","17.9237","0.0011","19.409","0.0012","18.025","0.0012","90","","94.044","0.003","90","","6254.9","0.7","143","1","143","1","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C68 H92 Ce Li N2 O7 -","- C68 H92 Ce Li N2 O7 -","- C272 H368 Ce4 Li4 N8 O28 -","4","2","","Brian D. Mahoney; Nicholas A. Piro; Patrick J. Carroll; Eric J. Schelter","Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes","Inorganic Chemistry","2013","52","","5970","5977","10.1021/ic400202r","","","0.71073","MoKα","","0.0645","0.0584","","","0.1311","0.1349","","","","","","1.19","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334880","11.2921","0.0003","18.1915","0.0004","14.2311","0.0004","90","","113.226","0.001","90","","2686.44","0.12","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H84 Ce O7 -","- C58 H84 Ce O7 -","- C116 H168 Ce2 O14 -","2","1","","Brian D. Mahoney; Nicholas A. Piro; Patrick J. Carroll; Eric J. Schelter","Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes","Inorganic Chemistry","2013","52","","5970","5977","10.1021/ic400202r","","","0.71073","MoKα","","0.0585","0.0381","","","0.0634","0.068","","","","","","0.986","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334881","29.7261","0.001","22.5237","0.0007","22.7523","0.0007","90","","124.538","0.002","90","","12548.7","0.8","143","1","143","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H92 Br Ce Li O8 -","- C62 H92 Br Ce Li O8 -","- C496 H736 Br8 Ce8 Li8 O64 -","8","1","","Brian D. Mahoney; Nicholas A. Piro; Patrick J. Carroll; Eric J. Schelter","Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes","Inorganic Chemistry","2013","52","","5970","5977","10.1021/ic400202r","","","0.71073","MoKα","","0.0878","0.0555","","","0.1214","0.1328","","","","","","1.072","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334882","29.8169","0.0006","22.609","0.0004","22.4413","0.0008","90","","123.702","0.001","90","","12585.8","0.6","143","1","143","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H92 Ce Cl Li O8 -","- C62 H92 Ce Cl Li O8 -","- C496 H736 Ce8 Cl8 Li8 O64 -","8","1","","Brian D. Mahoney; Nicholas A. Piro; Patrick J. Carroll; Eric J. Schelter","Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes","Inorganic Chemistry","2013","52","","5970","5977","10.1021/ic400202r","","","0.71073","MoKα","","0.0645","0.0395","","","0.0896","0.0962","","","","","","1.054","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334883","12.863","0.0013","13.3025","0.0014","18.87","0.002","96.4","0.006","102.679","0.006","111.462","0.006","2865.5","0.5","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C54 H76 Ce I Li O6 -","- C54 H76 Ce I Li O6 -","- C108 H152 Ce2 I2 Li2 O12 -","2","1","","Brian D. Mahoney; Nicholas A. Piro; Patrick J. Carroll; Eric J. Schelter","Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes","Inorganic Chemistry","2013","52","","5970","5977","10.1021/ic400202r","","","0.71073","MoKα","","0.0928","0.0494","","","0.1066","0.1195","","","","","","0.998","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334884","18.2613","0.001","17.6716","0.0009","17.9676","0.001","90","","97.761","0.003","90","","5745.1","0.5","143","1","143","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H92 Ce Li O8 -","- C62 H92 Ce Li O8 -","- C248 H368 Ce4 Li4 O32 -","4","0.5","","Brian D. Mahoney; Nicholas A. Piro; Patrick J. Carroll; Eric J. Schelter","Synthesis, Electrochemistry, and Reactivity of Cerium(III/IV) Methylene-Bis-Phenolate Complexes","Inorganic Chemistry","2013","52","","5970","5977","10.1021/ic400202r","","","0.71073","MoKα","","0.0235","0.0216","","","0.0578","0.0596","","","","","","1.07","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334885","8.3312","0.0003","9.1008","0.0002","17.5597","0.0007","82.012","0.002","80.795","0.002","77.391","0.002","1275.04","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O3 S8 -","- C20 H18 N2 O3 S8 -","- C40 H36 N4 O6 S16 -","2","1","","Fabrice Pointillart; Boris Le Guennic; Thomas Cauchy; Stéphane Golhen; Olivier Cador; Olivier Maury; Lahcène Ouahab","A Series of Tetrathiafulvalene-Based Lanthanide Complexes Displaying Either Single Molecule Magnet or Luminescence-Direct Magnetic and Photo-Physical Correlations in the Ytterbium Analogue","Inorganic Chemistry","2013","52","","5978","5990","10.1021/ic400253m","","","0.71073","MoKα","","0.1516","0.0699","","","0.1926","0.2535","","","","","","1.024","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334886","20.3152","0.0008","28.2622","0.001","39.7252","0.0014","90","","90","","90","","22808.3","1.5","150","2","150","2","","","","","","","","7","P n a a","-P 2ac 2bc","56","","","","- C70 H42 F36 N4 O18 Pr2 S16 -","- C70 H38 F36 N4 O18 Pr2 S16 -","- C560 H304 F288 N32 O144 Pr16 S128 -","8","1","","Fabrice Pointillart; Boris Le Guennic; Thomas Cauchy; Stéphane Golhen; Olivier Cador; Olivier Maury; Lahcène Ouahab","A Series of Tetrathiafulvalene-Based Lanthanide Complexes Displaying Either Single Molecule Magnet or Luminescence-Direct Magnetic and Photo-Physical Correlations in the Ytterbium Analogue","Inorganic Chemistry","2013","52","","5978","5990","10.1021/ic400253m","","","0.71073","MoKα","","0.1746","0.0827","","","0.2291","0.3069","","","","","","1.102","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334887","38.2055","0.0016","19.9095","0.0007","37.6513","0.0016","90","","119.374","0.0019","90","","24957.6","1.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H38 Dy2 F36 N4 O16 S16 -","- C70 H38 Dy2 F36 N4 O16 S16 -","- C560 H304 Dy16 F288 N32 O128 S128 -","8","1","","Fabrice Pointillart; Boris Le Guennic; Thomas Cauchy; Stéphane Golhen; Olivier Cador; Olivier Maury; Lahcène Ouahab","A Series of Tetrathiafulvalene-Based Lanthanide Complexes Displaying Either Single Molecule Magnet or Luminescence-Direct Magnetic and Photo-Physical Correlations in the Ytterbium Analogue","Inorganic Chemistry","2013","52","","5978","5990","10.1021/ic400253m","","","0.71073","MoKα","","0.1329","0.0688","","","0.2063","0.2632","","","","","","1.16","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334888","11.9756","0.0002","31.2646","0.0008","13.7018","0.0003","90","","101.514","0.0012","90","","5026.88","0.19","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H42 F36 N4 O16 S16 Tb2 -","- C70 H42 F36 N4 O16 S16 Tb2 -","- C140 H84 F72 N8 O32 S32 Tb4 -","2","0.5","","Fabrice Pointillart; Boris Le Guennic; Thomas Cauchy; Stéphane Golhen; Olivier Cador; Olivier Maury; Lahcène Ouahab","A Series of Tetrathiafulvalene-Based Lanthanide Complexes Displaying Either Single Molecule Magnet or Luminescence-Direct Magnetic and Photo-Physical Correlations in the Ytterbium Analogue","Inorganic Chemistry","2013","52","","5978","5990","10.1021/ic400253m","","","0.71073","MoKα","","0.1023","0.0545","","","0.1431","0.181","","","","","","1.043","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334889","11.9724","0.0001","31.2383","0.0004","13.7112","0.0002","90","","101.51","0.0006","90","","5024.82","0.11","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H42 Dy2 F36 N4 O16 S16 -","- C70 H42 Dy2 F36 N4 O16 S16 -","- C140 H84 Dy4 F72 N8 O32 S32 -","2","0.5","","Fabrice Pointillart; Boris Le Guennic; Thomas Cauchy; Stéphane Golhen; Olivier Cador; Olivier Maury; Lahcène Ouahab","A Series of Tetrathiafulvalene-Based Lanthanide Complexes Displaying Either Single Molecule Magnet or Luminescence-Direct Magnetic and Photo-Physical Correlations in the Ytterbium Analogue","Inorganic Chemistry","2013","52","","5978","5990","10.1021/ic400253m","","","0.71073","MoKα","","0.1062","0.0521","","","0.136","0.1742","","","","","","1.032","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334890","19.5419","0.0011","13.6526","0.0009","19.4728","0.0014","90","","90","","90","","5195.3","0.6","173","","173","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C21 H23 Cu F6 N4 O3 P S -","- C21 H23 Cu F6 N4 O3 P S -","- C168 H184 Cu8 F48 N32 O24 P8 S8 -","8","1","","Shin-ichiro Noro; Katsuo Fukuhara; Yuh Hijikata; Kazuya Kubo; Takayoshi Nakamura","Rational Synthesis of a Porous Copper(II) Coordination Polymer Bridged by Weak Lewis-Base Inorganic Monoanions Using an Anion-Mixing Method","Inorganic Chemistry","2013","52","","5630","5632","10.1021/ic400276c","","","0.71075","MoKα","","","0.067","","","","0.2134","","","","","","1.118","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334891","12.5414","0.0011","18.421","0.0018","15.6352","0.0012","90","","90","","90","","3612.1","0.5","173","","173","","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C27 H28 Cu F9 N4 O3 P S -","- C27 H28 Cu F9 N4 O3 P S -","- C108 H112 Cu4 F36 N16 O12 P4 S4 -","4","0.25","","Shin-ichiro Noro; Katsuo Fukuhara; Yuh Hijikata; Kazuya Kubo; Takayoshi Nakamura","Rational Synthesis of a Porous Copper(II) Coordination Polymer Bridged by Weak Lewis-Base Inorganic Monoanions Using an Anion-Mixing Method","Inorganic Chemistry","2013","52","","5630","5632","10.1021/ic400276c","","","0.71075","MoKα","","","0.0618","","","","0.1796","","","","","","1.073","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334892","12.5389","0.0007","18.3335","0.0008","15.6977","0.0008","90","","90","","90","","3608.6","0.3","173","","173","","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C30 H34 Cu F9 N4 O4 P S -","- C30 H34 Cu F9 N4 O4 P S -","- C120 H136 Cu4 F36 N16 O16 P4 S4 -","4","0.25","","Shin-ichiro Noro; Katsuo Fukuhara; Yuh Hijikata; Kazuya Kubo; Takayoshi Nakamura","Rational Synthesis of a Porous Copper(II) Coordination Polymer Bridged by Weak Lewis-Base Inorganic Monoanions Using an Anion-Mixing Method","Inorganic Chemistry","2013","52","","5630","5632","10.1021/ic400276c","","","0.71075","MoKα","","","0.0505","","","","0.1429","","","","","","1.062","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334893","13.952","0.002","16.319","0.003","23.056","0.004","93.312","0.006","105.266","0.006","106.516","0.006","4805.1","1.4","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H34 Al32 Cl4 N2 O132.5 S10 -","- C48 H34 Al32 Cl4 N2 O132.5 S10 -","- C48 H34 Al32 Cl4 N2 O132.5 S10 -","1","0.5","","Samangi Abeysinghe; Daniel K. Unruh; Tori Z. Forbes","Surface Modification of Al30 Keggin-Type Polyaluminum Molecular Clusters","Inorganic Chemistry","2013","52","","5991","5999","10.1021/ic400321k","","","0.71073","MoKα","","0.1026","0.0887","","","0.2813","0.3022","","","","","","0.999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334894","16.733","0.007","18.034","0.01","21.925","0.011","82.821","0.019","70.598","0.017","65.362","0.018","5672","5","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H46 Al32 N4 O146 S10 Zn2 -","- C74 H46 Al32 N4 O146 S10 Zn2 -","- C74 H46 Al32 N4 O146 S10 Zn2 -","1","0.5","","Samangi Abeysinghe; Daniel K. Unruh; Tori Z. Forbes","Surface Modification of Al30 Keggin-Type Polyaluminum Molecular Clusters","Inorganic Chemistry","2013","52","","5991","5999","10.1021/ic400321k","","","0.71073","MoKα","","0.0797","0.0693","","","0.2234","0.2364","","","","","","1.123","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334895","15.0438","0.0005","35.6738","0.0012","17.2925","0.0005","90","","99.765","0.001","90","","9145.9","0.5","90","0.1","90","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C77 H81 Cl15 F6 N6 O6 Pt2 S5 -","- C77 H81 Cl15 F6 N6 O6 Pt2 S5 -","- C308 H324 Cl60 F24 N24 O24 Pt8 S20 -","4","1","","Yang Cao; Michael O. Wolf; Brian O. Patrick","A Terthiophene-Containing Alkynylplatinum Terpyridine Pacman Complex: Controllable Folding/Unfolding Modulated by Weak Intermolecular Interactions","Inorganic Chemistry","2013","52","","5636","5638","10.1021/ic400338v","","","0.71069","MoKα","","0.1127","0.07","","","0.1511","0.1662","","","","","","1.102","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334896","17.5562","0.0019","17.5562","0.0019","21.389","0.003","90","","90","","120","","5709.3","1.2","90","0.1","90","0.1","","","","","","","","7","P 31","P 31","144","","","","- C78 H85 F6 N9 O6 Pt2 S5 -","- C78 H85 F6 N9 O6 Pt2 S5 -","- C234 H255 F18 N27 O18 Pt6 S15 -","3","1","","Yang Cao; Michael O. Wolf; Brian O. Patrick","A Terthiophene-Containing Alkynylplatinum Terpyridine Pacman Complex: Controllable Folding/Unfolding Modulated by Weak Intermolecular Interactions","Inorganic Chemistry","2013","52","","5636","5638","10.1021/ic400338v","","","0.71073","MoKα","","0.062","0.0507","","","0.1217","0.1256","","","","","","1.092","","","","has coordinates,has disorder","179451","2020-10-21","18:00:00",""
"4334897","6.3904","0.0002","15.6912","0.0004","11.2513","0.0003","90","","101.146","0.001","90","","1106.92","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N4 Se -","- C12 H8 N4 Se -","- C48 H32 N16 Se4 -","4","1","","Julia Klingele; Dominic Kaase; Maximilian Schmucker; Yanhua Lan; Guillaume Chastanet; Jean-François Létard","Thermal Spin Crossover and LIESST Effect Observed in Complexes [Fe(LCh)2(NCX)2] [LCh= 2,5-Di(2-Pyridyl)-1,3,4-Chalcadiazole; Ch = O, S, Se; X = S, Se, BH3]","Inorganic Chemistry","2013","52","","6000","6010","10.1021/ic400342m","","","0.71073","MoKα","","0.0269","0.0214","","","0.0525","0.0543","","","","","","1.062","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334898","8.5536","0.0002","12.0791","0.0003","13.0494","0.0003","90","","92.084","0.002","90","","1347.37","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Fe N10 O2 S2 -","- C26 H16 Fe N10 O2 S2 -","- C52 H32 Fe2 N20 O4 S4 -","2","0.5","","Julia Klingele; Dominic Kaase; Maximilian Schmucker; Yanhua Lan; Guillaume Chastanet; Jean-François Létard","Thermal Spin Crossover and LIESST Effect Observed in Complexes [Fe(LCh)2(NCX)2] [LCh= 2,5-Di(2-Pyridyl)-1,3,4-Chalcadiazole; Ch = O, S, Se; X = S, Se, BH3]","Inorganic Chemistry","2013","52","","6000","6010","10.1021/ic400342m","","","0.71073","MoKα","","0.0561","0.0345","","","0.0768","0.0857","","","","","","1.012","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334899","9.5518","0.0002","7.7916","0.0002","17.7393","0.0003","90","","95.8981","0.0011","90","","1313.24","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Fe N10 O2 S2 -","- C26 H16 Fe N10 O2 S2 -","- C52 H32 Fe2 N20 O4 S4 -","2","0.5","","Julia Klingele; Dominic Kaase; Maximilian Schmucker; Yanhua Lan; Guillaume Chastanet; Jean-François Létard","Thermal Spin Crossover and LIESST Effect Observed in Complexes [Fe(LCh)2(NCX)2] [LCh= 2,5-Di(2-Pyridyl)-1,3,4-Chalcadiazole; Ch = O, S, Se; X = S, Se, BH3]","Inorganic Chemistry","2013","52","","6000","6010","10.1021/ic400342m","","","0.71073","MoKα","","0.0499","0.0347","","","0.0813","0.0877","","","","","","1.048","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4334900","7.5704","0.0002","9.2523","0.0003","12.5256","0.0004","90.506","0.002","105.465","0.002","103.219","0.002","820.89","0.04","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H21.2 Cl2.8 Fe N10 O0.6 S2 Se2 -","- C28 H21.2 Cl2.8 Fe N10 O0.6 S2 Se2 -","- C28 H21.2 Cl2.8 Fe N10 O0.6 S2 Se2 -","1","0.5","","Julia Klingele; Dominic Kaase; Maximilian Schmucker; Yanhua Lan; Guillaume Chastanet; Jean-François Létard","Thermal Spin Crossover and LIESST Effect Observed in Complexes [Fe(LCh)2(NCX)2] [LCh= 2,5-Di(2-Pyridyl)-1,3,4-Chalcadiazole; Ch = O, S, Se; X = S, Se, BH3]","Inorganic Chemistry","2013","52","","6000","6010","10.1021/ic400342m","","","0.71073","MoKα","","0.0602","0.0407","","","0.0908","0.0986","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334901","13.2354","0.0008","13.5062","0.0008","15.3672","0.0009","113.675","0.001","93.405","0.001","115.494","0.001","2179.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H65 Er6 N39.06 O2 Se5.32 -","- C65 H65 Er6 N39.0544 O2 Se5.3144 -","- C65 H65 Er6 N39.0544 O2 Se5.3144 -","1","0.5","","Brian F. Moore; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Azide Capping Ligands","Inorganic Chemistry","2013","52","","6021","6027","10.1021/ic400359x","","","0.71073","MoKα","","0.0323","0.027","","","0.0603","0.0623","","","","","","1.009","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334902","25.523","0.003","18.941","0.0018","33.039","0.003","90","","112.106","0.002","90","","14798","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C125 H125 N73 Na2 O2 Sm6 -","- C125 H125 N73 Na2 O2 Sm6 -","- C500 H500 N292 Na8 O8 Sm24 -","4","0.5","","Brian F. Moore; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Azide Capping Ligands","Inorganic Chemistry","2013","52","","6021","6027","10.1021/ic400359x","","","0.71073","MoKα","","0.0777","0.0529","","","0.116","0.1276","","","","","","1.006","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334903","14.4043","0.001","15.816","0.0011","16.5175","0.0011","115.185","0.001","103.767","0.001","105.2","0.001","3011.4","0.4","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H100 Ho6 N54 O2 Se2 -","- C102 H100 Ho6 N54 O2 Se2 -","- C102 H100 Ho6 N54 O2 Se2 -","1","0.5","","Brian F. Moore; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Azide Capping Ligands","Inorganic Chemistry","2013","52","","6021","6027","10.1021/ic400359x","","","0.71073","MoKα","","0.1","0.0601","","","0.1282","0.1445","","","","","","1.031","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334904","14.3072","0.0012","15.5856","0.0013","16.38","0.002","115.349","0.002","103.765","0.002","104.963","0.002","2923.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H100 Er6 N54 O2 Se2 -","- C102 H100 Er6 N54 O2 Se2 -","- C102 H100 Er6 N54 O2 Se2 -","1","0.5","","Brian F. Moore; Thomas J. Emge; John G. Brennan","Lanthanide Clusters with Azide Capping Ligands","Inorganic Chemistry","2013","52","","6021","6027","10.1021/ic400359x","","","0.71073","MoKα","","0.0379","0.0296","","","0.0628","0.0658","","","","","","1.019","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334905","7.754","0.005","7.754","0.005","7.754","0.005","90","","90","","90","","466.2","0.5","293","","293","","","","","","","","synthesis as described","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al Ca Si -","- Al0.74 Ca Si1.26 -","- Al5.92 Ca8 Si10.08 -","8","0.0416667","","Masashi Tanaka; Shuai Zhang; Kei Inumaru; Shoji Yamanaka","High-Pressure Synthesis and Superconductivity of the Laves Phase Compound Ca(Al,Si)2 Composed of Truncated Tetrahedral Cages Ca@(Al,Si)12","Inorganic Chemistry","2013","52","","6039","6045","10.1021/ic400395n","","x-ray","0.71073","MoKα","","0.0287","0.0202","","","0.0528","0.0546","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334906","8.5912","0.00009","10.0507","0.00012","17.6921","0.0002","90","","97.2975","0.0011","90","","1515.3","0.03","183","2","183","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31 H31 Br2 Mn N5 O3 -","- C31 H31 Br2 Mn N5 O3 -","- C62 H62 Br4 Mn2 N10 O6 -","2","1","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.71073","MoKα","","0.0407","0.0338","","","0.0693","0.0733","","","","","","1.044","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334907","8.57842","0.00011","10.0637","0.00012","17.5345","0.0003","90","","97.3323","0.0013","90","","1501.39","0.04","183","2","183","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31 H31 Br2 Fe N5 O3 -","- C31 H29 Br2 Fe N5 O3 -","- C62 H58 Br4 Fe2 N10 O6 -","2","1","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.71073","MoKα","","0.0458","0.0376","","","0.0858","0.091","","","","","","1.051","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334908","8.5667","0.0001","10.081","0.0002","17.4483","0.0003","90","","97.268","0.002","90","","1494.74","0.04","183","2","183","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C31 H31 Br2 Co N5 O3 -","- C31 H31 Br2 Co N5 O3 -","- C62 H62 Br4 Co2 N10 O6 -","2","1","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.71073","MoKα","","0.0479","0.0402","","","0.0851","0.0891","","","","","","1.051","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334909","17.9094","0.0002","17.9094","0.0002","21.9653","0.001","90","","90","","90","","7045.3","0.3","183","2","183","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C27 H21 Br2 N5 Ni O2 -","- C27 H21 Br2 N5 Ni O2 -","- C216 H168 Br16 N40 Ni8 O16 -","8","0.25","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.71073","MoKα","","0.0807","0.0738","","","0.1668","0.1694","","","","","","1.238","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334910","10.1506","0.0004","16.8351","0.0004","22.4","0.0009","90","","99.593","0.004","90","","3774.3","0.2","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H45 Br2 N5 O5 Zn -","- C39 H35 Br2 N5 O5 Zn -","- C156 H140 Br8 N20 O20 Zn4 -","4","1","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.71073","MoKα","","0.1346","0.0785","","","0.1729","0.2025","","","","","","1.076","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334911","8.0542","0.0003","12.885","0.0004","14.2675","0.0006","103.688","0.003","96.198","0.003","94.806","0.003","1421.01","0.09","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Br2 Mn N5 O2 -","- C30 H27 Br2 Mn N5 O2 -","- C60 H54 Br4 Mn2 N10 O4 -","2","1","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.7107","MoKα","","0.0562","0.0417","","","0.1001","0.1083","","","","","","1.037","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334912","10.996","0.0009","11.209","0.0006","12.2723","0.0008","88.938","0.005","65.727","0.007","63.003","0.007","1202.04","0.19","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Br2 Fe N5 O -","- C26 H19 Br2 Fe N5 O -","- C52 H38 Br4 Fe2 N10 O2 -","2","1","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.71073","MoKα","","0.0692","0.045","","","0.0775","0.0873","","","","","","1.028","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334913","12.4832","0.0003","12.6716","0.00019","17.8641","0.0003","78.7144","0.0013","72.7054","0.0017","71.3303","0.0016","2540.22","0.09","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H43 Br4 Co2 N10 O3.5 -","- C53 H38 Br4 Co2 N10 O3.5 -","- C106 H76 Br8 Co4 N20 O7 -","2","1","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.71073","MoKα","","0.0622","0.0419","","","0.0864","0.0931","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334914","8.102","0.0002","12.6064","0.0004","14.3542","0.0003","102.358","0.002","94.987","0.002","98.461","0.002","1405.86","0.07","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H27 Br2 Cu N5 O2 -","- C30 H27 Br2 Cu N5 O2 -","- C60 H54 Br4 Cu2 N10 O4 -","2","1","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.71073","MoKα","","0.0469","0.0358","","","0.0822","0.087","","","","","","1.031","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334915","12.4768","0.0004","12.6668","0.0004","17.575","0.0007","73.22","0.003","79.345","0.003","71.503","0.003","2508.57","0.16","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Br2 N5 Ni O -","- C26 H19 Br2 N5 Ni O -","- C104 H76 Br8 N20 Ni4 O4 -","4","2","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.7107","MoKα","","0.0851","0.0565","","","0.1325","0.1469","","","","","","1.017","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334916","10.5005","0.0003","11.8121","0.0004","11.8679","0.0004","65.307","0.003","69.826","0.003","66.605","0.003","1198.85","0.08","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 Br2 N5 O Zn -","- C26 H19 Br2 N5 O Zn -","- C52 H38 Br4 N10 O2 Zn2 -","2","1","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.71073","MoKα","","0.0826","0.0568","","","0.1309","0.1515","","","","","","1.032","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334917","16.5758","0.0013","17.4795","0.0009","8.6115","0.0007","90","","126.425","0.012","90","","2007.6","0.4","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N5 O -","- C26 H19 N5 O -","- C104 H76 N20 O4 -","4","1","","Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto","3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities","Inorganic Chemistry","2013","52","","6055","6061","10.1021/ic4004017","","","0.71073","MoKα","","0.0789","0.0535","","","0.1114","0.1245","","","","","","1.012","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334918","9.19214","","5.30901","","11.91553","","90","","104.875","","90","","562.005","","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cu3 Ni2 O6 Sb -","- Cu3 Ni1.9605 O6 Sb1.0395 -","- Cu12 Ni7.842 O24 Sb4.158 -","4","0.5","","J. H. Roudebush; N. H. Andersen; R. Ramlau; V. O. Garlea; R. Toft-Petersen; P. Norby; R. Schneider; J. N. Hay; R. J. Cava","Structure and Magnetic Properties of Cu3Ni2SbO6 and Cu3Co2SbO6 Delafossites with Honeycomb Lattices","Inorganic Chemistry","2013","52","","6083","6095","10.1021/ic400415h","powder diffraction","","0.413321","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334919","9.327434","0.000013","5.385312","0.000007","11.911454","0.000011","90","","105.133","0.00019","90","","577.578","0.0013","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Co2 Cu3 O6 Sb -","- Co2.272 Cu3.4077 O6.8154 Sb1.1362 -","- Co9.088 Cu13.6308 O27.2616 Sb4.5448 -","4","0.5","","J. H. Roudebush; N. H. Andersen; R. Ramlau; V. O. Garlea; R. Toft-Petersen; P. Norby; R. Schneider; J. N. Hay; R. J. Cava","Structure and Magnetic Properties of Cu3Ni2SbO6 and Cu3Co2SbO6 Delafossites with Honeycomb Lattices","Inorganic Chemistry","2013","52","","6083","6095","10.1021/ic400415h","powder diffraction","","0.413321","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334920","5.7897","0.0004","3.8925","0.0003","21.4036","0.0017","90","","90","","90","","482.36","0.06","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba0.738 Fe1.026 Mn0.974 O5 Pb1.262 -","- Ba0.74 Fe1.029 Mn0.971 O5 Pb1.26 -","- Ba2.96 Fe4.116 Mn3.884 O20 Pb5.04 -","4","0.5","","N. Barrier; O. I. Lebedev; Md. Motin Seikh; F. Porcher; B. Raveau","Impact of Mn3+ upon Structure and Magnetism of the Perovskite Derivative Pb2-xBaxFeMnO5 (x~ 0.7)","Inorganic Chemistry","2013","52","","6073","6082","10.1021/ic400426m","powder diffraction","neutron","1.22515","neutron","","0.0226","0.0224","","0.0288","0.0288","","","","1.95","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4334921","11.0462","0.0014","11.8566","0.0018","25.28","0.008","82.44","0.02","77.73","0.02","89.48","0.013","3206.6","1.2","200","2","200","2","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C54 H90 Cl3 K N6 O6 Ti3 Y -","- C54 H90 Cl3 K N6 O6 Ti3 Y -","- C108 H180 Cl6 K2 N12 O12 Ti6 Y2 -","2","1","","Jorge Caballo; Jorge J. Carbó; Miguel Mena; Adrián Pérez-Redondo; Josep-M. Poblet; Carlos Yélamos","Redox-Active Behavior of the [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand","Inorganic Chemistry","2013","52","","6103","6109","10.1021/ic400463a","","x-ray","0.71073","MoKα","","0.1722","0.0777","","","0.1729","0.2133","","","","","","1.073","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334922","17.574","0.01","12.113","0.005","22.576","0.015","90","","94.58","0.03","90","","4790","5","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H63 Cl2 N7 Ti3 Y -","- C45 H63 Cl2 N7 Ti3 Y -","- C180 H252 Cl8 N28 Ti12 Y4 -","4","1","","Jorge Caballo; Jorge J. Carbó; Miguel Mena; Adrián Pérez-Redondo; Josep-M. Poblet; Carlos Yélamos","Redox-Active Behavior of the [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand","Inorganic Chemistry","2013","52","","6103","6109","10.1021/ic400463a","","x-ray","0.71073","MoKα","","0.0832","0.0455","","","0.1067","0.1183","","","","","","1.073","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334923","16.527","0.004","16.527","0.003","18.067","0.004","90","","90","","120","","4273.7","1.6","200","2","200","2","","","","","","","synthesis as described","8","P -3","-P 3","147","","","","- C84 H114 Cl3 K N4 O6 Ti3 Y -","- C42 H72 Cl3 K N4 O6 Ti3 Y -","- C84 H144 Cl6 K2 N8 O12 Ti6 Y2 -","2","0.333333","","Jorge Caballo; Jorge J. Carbó; Miguel Mena; Adrián Pérez-Redondo; Josep-M. Poblet; Carlos Yélamos","Redox-Active Behavior of the [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand","Inorganic Chemistry","2013","52","","6103","6109","10.1021/ic400463a","","x-ray","0.71073","MoKα","","0.1167","0.0819","","","0.2225","0.2386","","","","","","1.069","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334924","13.4574","0.0006","22.8029","0.0009","22.2145","0.0009","90","","97.009","0.002","90","","6766","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.1038","0.0399","","","0.066","0.0822","","","","","","0.996","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334925","6.5412","0.0009","6.8343","0.001","6.9807","0.0011","81.645","0.01","67.457","0.009","83.024","0.009","284.43","0.08","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","bismuth triazide","","- Bi N9 -","- Bi N9 -","- Bi2 N18 -","2","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0756","0.0445","","","0.0719","0.0803","","","","","","0.986","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334926","6.3307","0.0003","6.945","0.0003","11.5056","0.0005","97.979","0.002","103.638","0.002","104.581","0.002","465.09","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","bismuth azide DMSO adduct","","- C2 H6 Bi N9 O S -","- C2 H6 Bi N9 O S -","- C4 H12 Bi2 N18 O2 S2 -","2","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0292","0.024","","","0.0451","0.0467","","","","","","1.035","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334927","6.3578","0.0002","6.9425","0.0002","11.5741","0.0004","97.732","0.002","103.349","0.002","104.602","0.002","470.83","0.03","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","bismuth azide DMSO adduct","","- C2 H6 Bi N9 O S -","- C2 H6 Bi N9 O S -","- C4 H12 Bi2 N18 O2 S2 -","2","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0302","0.0231","","","0.0378","0.0393","","","","","","1.007","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334928","12.9369","0.001","11.465","0.0008","6.3166","0.0004","90","","91.374","0.005","90","","936.62","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H6 Bi N9 O -","- C3 H6 Bi N9 O -","- C12 H24 Bi4 N36 O4 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0833","0.0435","","","0.0811","0.0952","","","","","","1.007","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334929","12.5136","0.0011","11.1737","0.001","6.2729","0.0005","90","","103.362","0.006","90","","853.35","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bismuth azide acetonitrile adduct","","- C2 H3 Bi N10 -","- C2 H3 Bi N10 -","- C8 H12 Bi4 N40 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.1267","0.0546","","","0.0963","0.1209","","","","","","1.004","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334930","13.288","0.0005","22.6627","0.0009","22.0071","0.0009","90","","97.025","0.002","90","","6577.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tris(tetraphenylphosphonium) hexaazidobismuthate/ pentaazido(chloro)bismuthate","","- C72 H60 Bi Cl0.12 N17.64 P3 -","- C72 H60 Bi Cl0.121 N17.634 P3 -","- C288 H240 Bi4 Cl0.484 N70.536 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0599","0.0332","","","0.0579","0.0665","","","","","","1.016","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334931","13.2553","0.0003","22.6642","0.0005","21.8342","0.0005","90","","96.852","0.001","90","","6512.6","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.1118","0.0474","","","0.0624","0.0772","","","","","","1.001","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334932","13.2766","0.0007","22.6535","0.0013","21.8632","0.0013","90","","96.792","0.003","90","","6529.5","0.6","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0624","0.0348","","","0.06","0.067","","","","","","1.004","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334933","13.2751","0.0005","22.6425","0.0007","21.8945","0.0007","90","","96.756","0.002","90","","6535.4","0.4","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0602","0.033","","","0.0571","0.0654","","","","","","1.021","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334934","13.2849","0.0003","22.6179","0.0006","21.9014","0.0005","90","","96.863","0.001","90","","6533.7","0.3","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0665","0.0354","","","0.061","0.0693","","","","","","1.002","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334935","13.3124","0.0003","22.6514","0.0005","21.959","0.0005","90","","96.841","0.001","90","","6574.5","0.3","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0599","0.0327","","","0.0589","0.0656","","","","","","1.013","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334936","13.3072","0.0002","22.6362","0.0004","21.9663","0.0003","90","","96.859","0.001","90","","6569.43","0.18","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0717","0.0369","","","0.0609","0.07","","","","","","1.006","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334937","13.3214","0.0003","22.6307","0.0005","21.99","0.0005","90","","96.875","0.001","90","","6581.7","0.3","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.138","0.0487","","","0.0612","0.0789","","","","","","0.994","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334938","13.3306","0.0002","22.6568","0.0003","22.0073","0.0004","90","","96.914","0.001","90","","6598.5","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0652","0.0331","","","0.0568","0.0648","","","","","","1","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334939","13.3548","0.0002","22.6623","0.0004","22.0421","0.0003","90","","96.907","0.001","90","","6622.64","0.18","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0824","0.0361","","","0.0592","0.0704","","","","","","0.992","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334940","13.3622","0.0002","22.677","0.0004","22.0661","0.0004","90","","96.981","0.001","90","","6636.8","0.2","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0832","0.0367","","","0.0585","0.0692","","","","","","0.992","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334941","13.3745","0.0003","22.6894","0.0005","22.081","0.0005","90","","96.987","0.001","90","","6650.9","0.3","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.1057","0.0409","","","0.06","0.0734","","","","","","0.992","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334942","13.3826","0.0002","22.7094","0.0003","22.1128","0.0003","90","","97.009","0.001","90","","6670.1","0.16","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0996","0.0411","","","0.063","0.0764","","","","","","0.996","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334943","13.3764","0.0006","22.6926","0.001","22.0993","0.001","90","","97.015","0.002","90","","6657.9","0.5","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0901","0.0409","","","0.0636","0.0752","","","","","","1.002","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334944","13.4066","0.0003","22.7366","0.0005","22.1435","0.0004","90","","97.007","0.001","90","","6699.4","0.2","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0483","0.0284","","","0.0538","0.0596","","","","","","1.008","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334945","13.4116","0.0004","22.738","0.0006","22.1645","0.0007","90","","97.008","0.001","90","","6708.6","0.3","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0958","0.0386","","","0.0624","0.0762","","","","","","0.999","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334946","13.4171","0.0006","22.7304","0.001","22.1531","0.0009","90","","97.03","0.002","90","","6705.4","0.5","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0886","0.039","","","0.0678","0.0799","","","","","","0.998","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334947","13.4324","0.0007","22.776","0.0012","22.1916","0.0012","90","","97.016","0.003","90","","6738.4","0.6","263","2","263","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.089","0.0369","","","0.0607","0.072","","","","","","1.001","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334948","13.4394","0.0005","22.7935","0.0008","22.202","0.0008","90","","97.012","0.002","90","","6750.3","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.0995","0.0363","","","0.0615","0.0752","","","","","","0.996","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334949","13.4467","0.0005","22.8019","0.001","22.2085","0.0009","90","","97.052","0.002","90","","6757.8","0.5","283","2","283","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H60 Bi N18 P3 -","- C72 H60 Bi N18 P3 -","- C288 H240 Bi4 N72 P12 -","4","1","","Kati Rosenstengel; Axel Schulz; Alexander Villinger","Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion","Inorganic Chemistry","2013","52","","6110","6126","10.1021/ic400493v","","","0.71073","MoKα","","0.1134","0.0407","","","0.0634","0.0786","","","","","","0.991","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334950","12.775","0.003","10.029","0.002","8.0453","0.0016","90","","90","","90","","1030.8","0.4","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","tristrontium beryllium hexaborate","","- B6 Be O13 Sr3 -","- B6 Be O13 Sr3 -","- B24 Be4 O52 Sr12 -","4","0.5","","Wenjiao Yao; Hongwei Huang; Jiyong Yao; Tao Xu; Xingxing Jiang; Zheshuai Lin; Chuangtian Chen","Sr3BeB6O13: A New Borate in the SrO/BeO/B2O3 System with Novel Tri-Six-Membered Ring (BeB6O15)10- Building Block","Inorganic Chemistry","2013","52","","6136","6141","10.1021/ic400515m","","","0.71073","MoKα","","0.0276","0.0228","","","0.0504","0.0521","","","","","","1.094","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334951","5.9205","0.0002","12.1256","0.0006","12.4065","0.0006","115.183","0.002","101.493","0.002","90.792","0.002","784.94","0.06","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Ag Cl N3 -","- C16 H15 Ag Cl N3 -","- C32 H30 Ag2 Cl2 N6 -","2","1","","Lars-Arne Schaper; Lilian Graser; Xuhui Wei; Rui Zhong; Karl Öfele; Alexander Pöthig; Mirza Cokoja; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Exploring the Scope of a Novel Ligand Class: Synthesis and Catalytic Examination of Metal Complexes with 'Normal' 1,2,3-Triazolylidene Ligands","Inorganic Chemistry","2013","52","","6142","6152","10.1021/ic400533u","","x-ray","0.71073","MoKα","","0.0494","0.0297","","","0.0528","0.0582","","","","","","0.976","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334952","14.9104","0.0005","11.4808","0.0004","14.0996","0.0005","90","","115.127","0.001","90","","2185.21","0.13","123","","123","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cl Mo N3 O2 -","- C23 H20 Cl Mo N3 O2 -","- C92 H80 Cl4 Mo4 N12 O8 -","4","1","","Lars-Arne Schaper; Lilian Graser; Xuhui Wei; Rui Zhong; Karl Öfele; Alexander Pöthig; Mirza Cokoja; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Exploring the Scope of a Novel Ligand Class: Synthesis and Catalytic Examination of Metal Complexes with 'Normal' 1,2,3-Triazolylidene Ligands","Inorganic Chemistry","2013","52","","6142","6152","10.1021/ic400533u","","x-ray","0.71073","MoKα","","0.0685","0.0356","","","0.0671","0.0774","","","","","","1.021","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334953","10.1793","0.0003","19.8096","0.0007","13.189","0.0005","90","","98.846","0.002","90","","2627.9","0.16","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 Cl N3 Rh -","- C29 H35 Cl N3 Rh -","- C116 H140 Cl4 N12 Rh4 -","4","1","","Lars-Arne Schaper; Lilian Graser; Xuhui Wei; Rui Zhong; Karl Öfele; Alexander Pöthig; Mirza Cokoja; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Exploring the Scope of a Novel Ligand Class: Synthesis and Catalytic Examination of Metal Complexes with 'Normal' 1,2,3-Triazolylidene Ligands","Inorganic Chemistry","2013","52","","6142","6152","10.1021/ic400533u","","x-ray","0.71073","MoKα","","0.0288","0.022","","","0.0623","0.0665","","","","","","0.989","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334954","20.6804","0.0009","8.25","0.0004","10.0422","0.0004","90","","90","","90","","1713.33","0.13","173","","173","","","","","","","","see text","4","P c a 21","P 2c -2ac","29","","","","- C17 H16 Cl3 N3 -","- C17 H16 Cl3 N3 -","- C68 H64 Cl12 N12 -","4","1","","Lars-Arne Schaper; Lilian Graser; Xuhui Wei; Rui Zhong; Karl Öfele; Alexander Pöthig; Mirza Cokoja; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Exploring the Scope of a Novel Ligand Class: Synthesis and Catalytic Examination of Metal Complexes with 'Normal' 1,2,3-Triazolylidene Ligands","Inorganic Chemistry","2013","52","","6142","6152","10.1021/ic400533u","","x-ray","0.71073","MoKα","","0.0188","0.018","","","0.0482","0.0489","","","","","","1.085","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334955","11.9638","0.001","11.5099","0.0011","24.084","0.002","90","","95.061","0.004","90","","3303.5","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 Cl4 N6 Pd2 -","- C32 H30 Cl4 N6 Pd2 -","- C128 H120 Cl16 N24 Pd8 -","4","1","","Lars-Arne Schaper; Lilian Graser; Xuhui Wei; Rui Zhong; Karl Öfele; Alexander Pöthig; Mirza Cokoja; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Exploring the Scope of a Novel Ligand Class: Synthesis and Catalytic Examination of Metal Complexes with 'Normal' 1,2,3-Triazolylidene Ligands","Inorganic Chemistry","2013","52","","6142","6152","10.1021/ic400533u","","x-ray","0.71073","MoKα","","0.0245","0.0194","","","0.0451","0.0477","","","","","","1.05","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334956","10.6199","0.0017","13.047","0.002","15.053","0.002","75.854","0.007","86.561","0.007","76.536","0.007","1966.9","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H66 B N3 P Rh Si2 -","- C36 H66 B N3 P Rh Si2 -","- C72 H132 B2 N6 P2 Rh2 Si4 -","2","1","","Holger Braunschweig; Qing Ye; Krzysztof Radacki","Synthesis and Structure of a Carbene-Stabilized Boraallene Coordinated to Rhodium","Inorganic Chemistry","2013","52","","5639","5641","10.1021/ic4005505","","","0.71073","MoKα","","0.0314","0.0256","","","0.0623","0.0706","","","","","","0.938","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334957","13.7249","0.0005","7.3885","0.0003","20.7913","0.0008","90","","105.6","0.001","90","","2030.7","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cl3 Ga N4 O3 -","- C14 H18 Cl3 Ga N4 O3 -","- C56 H72 Cl12 Ga4 N16 O12 -","4","1","","Wenchan Jiang; John D. Gorden; Christian R. Goldsmith","Catalysis of Alkene Epoxidation by a Series of Gallium(III) Complexes with Neutral N-Donor Ligands","Inorganic Chemistry","2013","52","","5814","5823","10.1021/ic400570h","","","0.71073","MoKα","","0.0388","0.0301","","","0.0771","0.0828","","","","","","1.074","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334958","9.2381","0.0007","12.0453","0.0009","14.7889","0.0011","88.922","0.001","79.716","0.001","69.067","0.001","1510.5","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ga trix picin","","","- C22 H26 Cl6 Ga2 N6 -","- C22 H26 Cl6 Ga2 N6 -","- C44 H52 Cl12 Ga4 N12 -","2","1","","Wenchan Jiang; John D. Gorden; Christian R. Goldsmith","Catalysis of Alkene Epoxidation by a Series of Gallium(III) Complexes with Neutral N-Donor Ligands","Inorganic Chemistry","2013","52","","5814","5823","10.1021/ic400570h","","","0.71073","","","0.0428","0.0321","","","0.0496","0.0507","","","","","","2.326","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334959","9.154","0.0003","11.9245","0.0004","12.8632","0.0004","80.306","0.001","81.88","0.001","88.063","0.001","1370.11","0.08","198","2","198","2","","","","","","","","6","P -1","-P 1","2","TPEnGaCl3","","","- C23 H32 Cl3 Ga N5 O3 -","- C22 H26 Cl3 Ga N6 O3 -","- C44 H52 Cl6 Ga2 N12 O6 -","2","1","","Wenchan Jiang; John D. Gorden; Christian R. Goldsmith","Catalysis of Alkene Epoxidation by a Series of Gallium(III) Complexes with Neutral N-Donor Ligands","Inorganic Chemistry","2013","52","","5814","5823","10.1021/ic400570h","","","0.71073","MoKα","","0.0419","0.0364","","","0.0909","0.0943","","","","","","1.099","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334960","17.1346","0.0004","12.6797","0.0003","19.4864","0.0004","90","","109.735","0.0007","90","","3984.98","0.16","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Dy F12 N2 Ni O12 -","- C33 H33 Dy F12 N2 Ni O12 -","- C132 H132 Dy4 F48 N8 Ni4 O48 -","4","1","","Masaaki Towatari; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Yukinari Sunatsuki; Masaaki Kojima; Naotaka Mochida; Takayuki Ishida; Nazzareno Re; Jerzy Mrozinski","Syntheses, Structures, and Magnetic Properties of Acetato- and Diphenolato-Bridged 3d-4f Binuclear Complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = ZnII, CuII, NiII, CoII; Ln = LaIII, GdIII, TbIII, DyIII; 3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = Acetato; hfac = Hexafluoroacetylacetonato;x= 0 or 1)","Inorganic Chemistry","2013","52","","6160","6178","10.1021/ic400594u","","","0.71075","MoKα","","","0.0405","","","","0.1045","","","","","","1.042","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334961","10.2246","0.0003","11.4639","0.0003","17.5688","0.0005","86.3787","0.0009","75.3313","0.0008","66.2417","0.0007","1821.6","0.09","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 Cu F12 Gd N2 O10 -","- C31 H25 Cu F12 Gd N2 O10 -","- C62 H50 Cu2 F24 Gd2 N4 O20 -","2","1","","Masaaki Towatari; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Yukinari Sunatsuki; Masaaki Kojima; Naotaka Mochida; Takayuki Ishida; Nazzareno Re; Jerzy Mrozinski","Syntheses, Structures, and Magnetic Properties of Acetato- and Diphenolato-Bridged 3d-4f Binuclear Complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = ZnII, CuII, NiII, CoII; Ln = LaIII, GdIII, TbIII, DyIII; 3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = Acetato; hfac = Hexafluoroacetylacetonato;x= 0 or 1)","Inorganic Chemistry","2013","52","","6160","6178","10.1021/ic400594u","","","0.71075","MoKα","","","0.0407","","","","0.1126","","","","","","1.059","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334962","10.2184","0.0004","11.4642","0.0004","17.5832","0.0004","86.3967","0.0008","75.2519","0.0009","66.2258","0.001","1821.06","0.11","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 Cu F12 N2 O10 Tb -","- C31 H25 Cu F12 N2 O10 Tb -","- C62 H50 Cu2 F24 N4 O20 Tb2 -","2","1","","Masaaki Towatari; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Yukinari Sunatsuki; Masaaki Kojima; Naotaka Mochida; Takayuki Ishida; Nazzareno Re; Jerzy Mrozinski","Syntheses, Structures, and Magnetic Properties of Acetato- and Diphenolato-Bridged 3d-4f Binuclear Complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = ZnII, CuII, NiII, CoII; Ln = LaIII, GdIII, TbIII, DyIII; 3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = Acetato; hfac = Hexafluoroacetylacetonato;x= 0 or 1)","Inorganic Chemistry","2013","52","","6160","6178","10.1021/ic400594u","","","0.71075","MoKα","","","0.0385","","","","0.1057","","","","","","1.069","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334963","10.2311","0.0003","11.4571","0.0004","17.5663","0.0004","86.4514","0.0011","75.1403","0.0007","66.1499","0.0011","1818.25","0.09","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 Cu Dy F12 N2 O10 -","- C31 H25 Cu Dy F12 N2 O10 -","- C62 H50 Cu2 Dy2 F24 N4 O20 -","2","1","","Masaaki Towatari; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Yukinari Sunatsuki; Masaaki Kojima; Naotaka Mochida; Takayuki Ishida; Nazzareno Re; Jerzy Mrozinski","Syntheses, Structures, and Magnetic Properties of Acetato- and Diphenolato-Bridged 3d-4f Binuclear Complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = ZnII, CuII, NiII, CoII; Ln = LaIII, GdIII, TbIII, DyIII; 3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = Acetato; hfac = Hexafluoroacetylacetonato;x= 0 or 1)","Inorganic Chemistry","2013","52","","6160","6178","10.1021/ic400594u","","","0.71075","MoKα","","","0.0417","","","","0.1219","","","","","","1.074","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334964","10.186","0.0005","11.5306","0.0005","17.5576","0.0008","86.1213","0.0013","75.3054","0.0013","66.2677","0.0011","1824.64","0.15","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 F12 Gd N2 O10 Zn -","- C31 H25 F12 Gd N2 O10 Zn -","- C62 H50 F24 Gd2 N4 O20 Zn2 -","2","1","","Masaaki Towatari; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Yukinari Sunatsuki; Masaaki Kojima; Naotaka Mochida; Takayuki Ishida; Nazzareno Re; Jerzy Mrozinski","Syntheses, Structures, and Magnetic Properties of Acetato- and Diphenolato-Bridged 3d-4f Binuclear Complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = ZnII, CuII, NiII, CoII; Ln = LaIII, GdIII, TbIII, DyIII; 3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = Acetato; hfac = Hexafluoroacetylacetonato;x= 0 or 1)","Inorganic Chemistry","2013","52","","6160","6178","10.1021/ic400594u","","","0.71075","MoKα","","","0.0387","","","","0.1203","","","","","","1.04","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334965","10.1697","0.0007","11.545","0.0009","17.5614","0.0014","86.204","0.003","75.275","0.003","66.167","0.002","1822.6","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 F12 N2 O10 Tb Zn -","- C31 H25 F12 N2 O10 Tb Zn -","- C62 H50 F24 N4 O20 Tb2 Zn2 -","2","1","","Masaaki Towatari; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Yukinari Sunatsuki; Masaaki Kojima; Naotaka Mochida; Takayuki Ishida; Nazzareno Re; Jerzy Mrozinski","Syntheses, Structures, and Magnetic Properties of Acetato- and Diphenolato-Bridged 3d-4f Binuclear Complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = ZnII, CuII, NiII, CoII; Ln = LaIII, GdIII, TbIII, DyIII; 3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = Acetato; hfac = Hexafluoroacetylacetonato;x= 0 or 1)","Inorganic Chemistry","2013","52","","6160","6178","10.1021/ic400594u","","","0.71075","MoKα","","","0.0532","","","","0.1474","","","","","","1.239","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334966","10.1959","0.0003","11.5344","0.0003","17.5376","0.0005","86.2477","0.0008","75.1651","0.0008","66.0818","0.0007","1820.81","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H25 Dy F12 N2 O10 Zn -","- C31 H25 Dy F12 N2 O10 Zn -","- C62 H50 Dy2 F24 N4 O20 Zn2 -","2","1","","Masaaki Towatari; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Yukinari Sunatsuki; Masaaki Kojima; Naotaka Mochida; Takayuki Ishida; Nazzareno Re; Jerzy Mrozinski","Syntheses, Structures, and Magnetic Properties of Acetato- and Diphenolato-Bridged 3d-4f Binuclear Complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = ZnII, CuII, NiII, CoII; Ln = LaIII, GdIII, TbIII, DyIII; 3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = Acetato; hfac = Hexafluoroacetylacetonato;x= 0 or 1)","Inorganic Chemistry","2013","52","","6160","6178","10.1021/ic400594u","","","0.71075","MoKα","","","0.037","","","","0.108","","","","","","1.034","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334967","17.0988","0.0004","12.7846","0.0003","19.6171","0.0004","90","","110.06","0.0007","90","","4028.17","0.16","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Co F12 Gd N2 O12 -","- C33 H33 Co F12 Gd N2 O12 -","- C132 H132 Co4 F48 Gd4 N8 O48 -","4","1","","Masaaki Towatari; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Yukinari Sunatsuki; Masaaki Kojima; Naotaka Mochida; Takayuki Ishida; Nazzareno Re; Jerzy Mrozinski","Syntheses, Structures, and Magnetic Properties of Acetato- and Diphenolato-Bridged 3d-4f Binuclear Complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = ZnII, CuII, NiII, CoII; Ln = LaIII, GdIII, TbIII, DyIII; 3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = Acetato; hfac = Hexafluoroacetylacetonato;x= 0 or 1)","Inorganic Chemistry","2013","52","","6160","6178","10.1021/ic400594u","","","0.71075","MoKα","","","0.0371","","","","0.0937","","","","","","1.013","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334968","17.1053","0.0006","12.7743","0.0004","19.6165","0.0005","90","","110.048","0.0009","90","","4026.6","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Co F12 N2 O12 Tb -","- C33 H33 Co F12 N2 O12 Tb -","- C132 H132 Co4 F48 N8 O48 Tb4 -","4","1","","Masaaki Towatari; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Yukinari Sunatsuki; Masaaki Kojima; Naotaka Mochida; Takayuki Ishida; Nazzareno Re; Jerzy Mrozinski","Syntheses, Structures, and Magnetic Properties of Acetato- and Diphenolato-Bridged 3d-4f Binuclear Complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = ZnII, CuII, NiII, CoII; Ln = LaIII, GdIII, TbIII, DyIII; 3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = Acetato; hfac = Hexafluoroacetylacetonato;x= 0 or 1)","Inorganic Chemistry","2013","52","","6160","6178","10.1021/ic400594u","","","0.71075","MoKα","","","0.0366","","","","0.0903","","","","","","1.031","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334969","17.1863","0.0004","12.7375","0.0003","19.6001","0.0006","90","","109.809","0.0007","90","","4036.78","0.18","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Co Dy F12 N2 O12 -","- C33 H33 Co Dy F12 N2 O12 -","- C132 H132 Co4 Dy4 F48 N8 O48 -","4","1","","Masaaki Towatari; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Yukinari Sunatsuki; Masaaki Kojima; Naotaka Mochida; Takayuki Ishida; Nazzareno Re; Jerzy Mrozinski","Syntheses, Structures, and Magnetic Properties of Acetato- and Diphenolato-Bridged 3d-4f Binuclear Complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = ZnII, CuII, NiII, CoII; Ln = LaIII, GdIII, TbIII, DyIII; 3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = Acetato; hfac = Hexafluoroacetylacetonato;x= 0 or 1)","Inorganic Chemistry","2013","52","","6160","6178","10.1021/ic400594u","","","0.71075","MoKα","","","0.0464","","","","0.1643","","","","","","1.028","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334970","17.0843","0.0007","12.7041","0.0007","19.5631","0.0008","90","","110.296","0.0011","90","","3982.4","0.3","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 F12 Gd N2 Ni O12 -","- C33 H32 F12 Gd N2 Ni O12 -","- C132 H128 F48 Gd4 N8 Ni4 O48 -","4","1","","Masaaki Towatari; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Yukinari Sunatsuki; Masaaki Kojima; Naotaka Mochida; Takayuki Ishida; Nazzareno Re; Jerzy Mrozinski","Syntheses, Structures, and Magnetic Properties of Acetato- and Diphenolato-Bridged 3d-4f Binuclear Complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = ZnII, CuII, NiII, CoII; Ln = LaIII, GdIII, TbIII, DyIII; 3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = Acetato; hfac = Hexafluoroacetylacetonato;x= 0 or 1)","Inorganic Chemistry","2013","52","","6160","6178","10.1021/ic400594u","","","0.71075","MoKα","","","0.0498","","","","0.149","","","","","","1.005","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334971","17.1879","0.0006","12.7311","0.0003","19.5571","0.0006","90","","109.429","0.001","90","","4035.8","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 F12 N2 Ni O12 Tb -","- C33 H33 F12 N2 Ni O12 Tb -","- C132 H132 F48 N8 Ni4 O48 Tb4 -","4","1","","Masaaki Towatari; Koshiro Nishi; Takeshi Fujinami; Naohide Matsumoto; Yukinari Sunatsuki; Masaaki Kojima; Naotaka Mochida; Takayuki Ishida; Nazzareno Re; Jerzy Mrozinski","Syntheses, Structures, and Magnetic Properties of Acetato- and Diphenolato-Bridged 3d-4f Binuclear Complexes [M(3-MeOsaltn)(MeOH)x(ac)Ln(hfac)2] (M = ZnII, CuII, NiII, CoII; Ln = LaIII, GdIII, TbIII, DyIII; 3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato; ac = Acetato; hfac = Hexafluoroacetylacetonato;x= 0 or 1)","Inorganic Chemistry","2013","52","","6160","6178","10.1021/ic400594u","","","0.71075","MoKα","","","0.0391","","","","0.1021","","","","","","1.053","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334972","8.9448","0.0004","8.9448","0.0004","6.0032","0.0003","90","","90","","90","","480.31","0.04","294","2","294","2","","","","","","","","3","P 4 b m","P 4 -2ab","100","","","","- Cs2 O8 V3 -","- Cs2 O8 V3 -","- Cs4 O16 V6 -","2","0.25","","Jeongho Yeon; Athena S. Sefat; T. Thao Tran; P. Shiv Halasyamani; Hans-Conrad zur Loye","Crystal Growth, Structure, Polarization, and Magnetic Properties of Cesium Vanadate, Cs2V3O8: A Structure-Property Study","Inorganic Chemistry","2013","52","","6179","6186","10.1021/ic400601n","","","0.71073","MoKα","","0.0257","0.0256","","","0.0615","0.0615","","","","","","1.433","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334973","16.472","0.003","14.628","0.003","21.029","0.004","90","","97.01","0.03","90","","5029.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O18 Ti Zn3 -","- C27 H19 N O18 Ti Zn3 -","- C108 H76 N4 O72 Ti4 Zn12 -","4","1","","Keunil Hong; Woojeong Bak; Hyungphil Chun","Unique Coordination-Based Heterometallic Approach for the Stoichiometric Inclusion of High-Valent Metal Ions in a Porous Metal-Organic Framework","Inorganic Chemistry","2013","52","","5645","5647","10.1021/ic400607w","","","0.7","Synchrotron","","0.0739","0.0658","","","0.2033","0.2151","","","","","","1.115","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334974","25.8858","0.0005","25.8858","0.0005","59.139","0.003","90","","90","","120","","34318","2","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C364 H330 Cl24 Mn12 N74 O96 -","- C364 H324 Cl24 Mn12 N74 O96 -","- C1092 H972 Cl72 Mn36 N222 O288 -","3","0.333333","","Kiu-Chor Sham; Shek-Man Yiu; Hoi-Lun Kwong","Dodecanuclear Hexagonal-Prismatic M12L18 Coordination Cages by Subcomponent Self-assembly","Inorganic Chemistry","2013","52","","5648","5650","10.1021/ic400665m","","","1.54178","CuKα","","0.1253","0.1059","","","0.2702","0.293","","","","","","1.015","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334975","12.7693","0.0008","22.3242","0.0015","12.9072","0.0009","90","","112.11","0.001","90","","3408.8","0.4","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 F3 N O4 Os P2 S -","- C30 H46 F3 N O4 Os P2 S -","- C120 H184 F12 N4 O16 Os4 P8 S4 -","4","1","","Joaquín Alós; Tamara Bolaño; Miguel A. Esteruelas; Montserrat Oliván; Enrique Oñate; Marta Valencia","POP-Pincer Osmium-Polyhydrides: Head-to-Head (Z)-Dimerization of Terminal Alkynes","Inorganic Chemistry","2013","52","","6199","6213","10.1021/ic400730a","","","0.71073","MoKα","","0.0485","0.036","","","0.0718","0.0778","","","","","","1.06","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334976","18.775","0.002","13.0623","0.0018","27.771","0.004","90","","94.263","0.005","90","","6791.8","1.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H51 Cl2 O2.5 Os P2 S -","- C31 H51 Cl2 O2.5 Os P2 S -","- C248 H408 Cl16 O20 Os8 P16 S8 -","8","2","","Joaquín Alós; Tamara Bolaño; Miguel A. Esteruelas; Montserrat Oliván; Enrique Oñate; Marta Valencia","POP-Pincer Osmium-Polyhydrides: Head-to-Head (Z)-Dimerization of Terminal Alkynes","Inorganic Chemistry","2013","52","","6199","6213","10.1021/ic400730a","","","0.71073","MoKα","","0.0864","0.0443","","","0.0833","0.0987","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334977","35.13","0.02","12.148","0.007","14.516","0.008","90","","111.788","0.006","90","","5752","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H43 Cl O Os P2 -","- C27 H43 Cl O Os P2 -","- C216 H344 Cl8 O8 Os8 P16 -","8","1","","Joaquín Alós; Tamara Bolaño; Miguel A. Esteruelas; Montserrat Oliván; Enrique Oñate; Marta Valencia","POP-Pincer Osmium-Polyhydrides: Head-to-Head (Z)-Dimerization of Terminal Alkynes","Inorganic Chemistry","2013","52","","6199","6213","10.1021/ic400730a","","","0.71073","MoKα","","0.0294","0.0222","","","0.0533","0.0569","","","","","","1.042","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334978","22.5833","0.0014","21.4733","0.0014","45.431","0.003","90","","90","","90","","22031","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H44 O Os P2 -","- C27 H44 O Os P2 -","- C864 H1408 O32 Os32 P64 -","32","4","","Joaquín Alós; Tamara Bolaño; Miguel A. Esteruelas; Montserrat Oliván; Enrique Oñate; Marta Valencia","POP-Pincer Osmium-Polyhydrides: Head-to-Head (Z)-Dimerization of Terminal Alkynes","Inorganic Chemistry","2013","52","","6199","6213","10.1021/ic400730a","","","0.71073","MoKα","","0.092","0.0377","","","0.0611","0.075","","","","","","1.02","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334979","14.123","0.003","8.0657","0.0017","11.628","0.002","90","","93.561","0.01","90","","1322","0.5","100","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 F5 N P -","- C3 H7 F5 N P -","- C24 H56 F40 N8 P8 -","8","2","","Tobias Böttcher; Bassem S. Bassil; Lyuben Zhechkov; Gerd-Volker Röschenthaler","Phosphorus(V) Complexes with Acyclic Monoaminocarbene Ligands via Oxidative Addition","Inorganic Chemistry","2013","52","","5651","5653","10.1021/ic400756z","","","0.71073","MoKα","","0.0329","0.0302","","","0.078","0.0814","","","","","","1.022","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334980","12.963","0.003","8.5995","0.0017","9.641","0.002","90","","90","","90","","1074.7","0.4","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H11 F5 N P -","- C9 H11 F5 N P -","- C36 H44 F20 N4 P4 -","4","0.5","","Tobias Böttcher; Bassem S. Bassil; Lyuben Zhechkov; Gerd-Volker Röschenthaler","Phosphorus(V) Complexes with Acyclic Monoaminocarbene Ligands via Oxidative Addition","Inorganic Chemistry","2013","52","","5651","5653","10.1021/ic400756z","","","0.71073","MoKα","","0.0367","0.0304","","","0.0786","0.0831","","","","","","1.003","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334981","15.6057","0.0015","8.6683","0.0008","7.6103","0.0008","90","","90","","90","","1029.48","0.17","100","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H15 F5 N P -","- C7 H15 F5 N P -","- C28 H60 F20 N4 P4 -","4","0.5","","Tobias Böttcher; Bassem S. Bassil; Lyuben Zhechkov; Gerd-Volker Röschenthaler","Phosphorus(V) Complexes with Acyclic Monoaminocarbene Ligands via Oxidative Addition","Inorganic Chemistry","2013","52","","5651","5653","10.1021/ic400756z","","","0.71073","MoKα","","0.0439","0.0355","","","0.104","0.1116","","","","","","1.016","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334982","9.8556","0.0005","9.8556","0.0005","15.7233","0.0003","90","","90","","120","","1322.64","0.1","273","2","273","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C8 H18 Co2 N2 O8 P3 -","- C8 H18 Co2 N2 O8 P3 -","- C24 H54 Co6 N6 O24 P9 -","3","0.5","","Li-Ming Li; Kai Cheng; Fei Wang; Jian Zhang","Ionothermal Synthesis of Chiral Metal Phosphite Open Frameworks with In Situ Generated Organic Templates","Inorganic Chemistry","2013","52","","5654","5656","10.1021/ic4007795","","","0.71073","MoKα","","0.0596","0.0581","","","0.188","0.191","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4334983","9.8355","0.0005","9.8355","0.0005","15.6659","0.0004","90","","90","","120","","1312.44","0.1","273","2","273","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C8 H18 N2 O9 P3 Zn2 -","- C8 H18 N2 O9 P3 Zn2 -","- C24 H54 N6 O27 P9 Zn6 -","3","0.5","","Li-Ming Li; Kai Cheng; Fei Wang; Jian Zhang","Ionothermal Synthesis of Chiral Metal Phosphite Open Frameworks with In Situ Generated Organic Templates","Inorganic Chemistry","2013","52","","5654","5656","10.1021/ic4007795","","","0.71073","MoKα","","0.0366","0.0334","","","0.076","0.0778","","","","","","1.038","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334984","6.8705","0.0009","8.2425","0.001","11.48","0.0015","69.096","0.009","73.458","0.01","72.469","0.009","567.54","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- Al Bi2 Br Cl4 Se2 -","- Al Bi2 Br Cl4 Se2 -","- Al2 Bi4 Br2 Cl8 Se4 -","2","1","","Kanishka Biswas; In Chung; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; Mercouri G. Kanatzidis","Semiconducting [(Bi4Te4Br2)(Al2Cl6-xBrx)]Cl2 and [Bi2Se2Br](AlCl4): Cationic Chalcogenide Frameworks from Lewis Acidic Ionic Liquids","Inorganic Chemistry","2013","52","","5657","5659","10.1021/ic400782c","","","0.71073","MoKα","","0.0738","0.0589","","","0.1566","0.1679","","","","","","1.024","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334985","6.966","0.0006","8.4658","0.0007","11.4626","0.001","68.343","0.007","75.142","0.007","72.289","0.007","590.5","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Al2 Bi4 Br2.54 Cl7.46 Te4 -","- Al2 Bi4 Br2.538 Cl7.462 Te4 -","- Al2 Bi4 Br2.538 Cl7.462 Te4 -","1","0.5","","Kanishka Biswas; In Chung; Jung-Hwan Song; Christos D. Malliakas; Arthur J. Freeman; Mercouri G. Kanatzidis","Semiconducting [(Bi4Te4Br2)(Al2Cl6-xBrx)]Cl2 and [Bi2Se2Br](AlCl4): Cationic Chalcogenide Frameworks from Lewis Acidic Ionic Liquids","Inorganic Chemistry","2013","52","","5657","5659","10.1021/ic400782c","","","0.71073","MoKα","","0.1271","0.0527","","","0.1177","0.1466","","","","","","0.969","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334986","10.1064","0.0003","16.4179","0.0005","17.9612","0.0005","90","","99.269","0.001","90","","2941.31","0.15","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15.3 B11 Cl10 Cs N3 O1.15 -","- C11 H15.302 B11 Cl10 Cs N3 O1.151 -","- C44 H61.208 B44 Cl40 Cs4 N12 O4.604 -","4","1","","James H. Wright; Christos E. Kefalidis; Fook S. Tham; Laurent Maron; Vincent Lavallo","Click-Like Reactions with the Inert HCB11Cl11- Anion Lead to Carborane-Fused Heterocycles with Unusual Aromatic Character","Inorganic Chemistry","2013","52","","6223","6229","10.1021/ic400786a","","","0.71073","MoKα","","0.0236","0.0198","","","0.047","0.0485","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334987","9.5173","0.0005","10.5233","0.0006","11.1412","0.0006","83.67","0.001","73.729","0.001","87.488","0.001","1064.51","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- Br25 Na Tc12 -","- Br25 Na Tc12 -","- Br25 Na Tc12 -","1","0.5","","Erik V. Johnstone; Daniel J. Grant; Frederic Poineau; Laura Fox; Paul M. Forster; Longzou Ma; Laura Gagliardi; Kenneth R. Czerwinski; Alfred P. Sattelberger","A Trigonal-Prismatic Hexanuclear Technetium(II) Bromide Cluster: Solid-State Synthesis and Crystallographic and Electronic Structure","Inorganic Chemistry","2013","52","","5660","5662","10.1021/ic400967k","","","0.71073","MoKα","","0.0285","0.0252","","","0.0736","0.0751","","","","","","1.079","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334988","8.9011","0.0009","17.6872","0.0017","16.7492","0.0017","90","","96.152","0.002","90","","2621.7","0.5","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 F12 Fe N4 O -","- C26 H18 F12 Fe N4 O -","- C104 H72 F48 Fe4 N16 O4 -","4","1","","Keith Searles; Atanu K. Das; René W. Buell; Maren Pink; Chun-Hsing Chen; Kuntal Pal; David Gene Morgan; Daniel J. Mindiola; Kenneth G. Caulton","Correction to 2,2'-Pyridylpyrrolide Ligand Redistribution Following Reduction","Inorganic Chemistry","2013","52","","6231","6231","10.1021/ic401081m","","","0.71073","MoKα","","0.0594","0.0355","","0.0819","0.0754","0.0819","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334989","12.8161","0.0019","27.136","0.004","35.312","0.005","90","","90","","90","","12281","3","250","2","250","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C29 H18 Co F12 N4 -","- C29 H17.5 Co F12 N4 -","- C464 H280 Co16 F192 N64 -","16","0.5","","Keith Searles; Atanu K. Das; René W. Buell; Maren Pink; Chun-Hsing Chen; Kuntal Pal; David Gene Morgan; Daniel J. Mindiola; Kenneth G. Caulton","Correction to 2,2'-Pyridylpyrrolide Ligand Redistribution Following Reduction","Inorganic Chemistry","2013","52","","6231","6231","10.1021/ic401081m","","","0.71073","MoKα","","0.0669","0.0488","","","0.1363","0.1525","","","","","","1.056","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334990","32.8931","0.0011","10.007","0.0004","27.0087","0.0009","90","","114.266","0.002","90","","8104.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H46 F36 Fe2 K2 N12 -","- C80 H46 F36 Fe2 K2 N12 -","- C320 H184 F144 Fe8 K8 N48 -","4","0.5","","Keith Searles; Atanu K. Das; René W. Buell; Maren Pink; Chun-Hsing Chen; Kuntal Pal; David Gene Morgan; Daniel J. Mindiola; Kenneth G. Caulton","Correction to 2,2'-Pyridylpyrrolide Ligand Redistribution Following Reduction","Inorganic Chemistry","2013","52","","6231","6231","10.1021/ic401081m","","","1.54178","CuKα","","0.0633","0.0457","","","0.1125","0.1238","","","","","","1.024","","","","has coordinates,has disorder","179452","2020-10-21","18:00:00",""
"4334991","10.375","0.003","12.143","0.003","18.907","0.005","104.836","0.004","93.786","0.004","104.228","0.005","2210.7","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H27 Co F18 K N6 -","- C43.5 H27 Co F18 K N6 -","- C87 H54 Co2 F36 K2 N12 -","2","1","","Keith Searles; Atanu K. Das; René W. Buell; Maren Pink; Chun-Hsing Chen; Kuntal Pal; David Gene Morgan; Daniel J. Mindiola; Kenneth G. Caulton","Correction to 2,2'-Pyridylpyrrolide Ligand Redistribution Following Reduction","Inorganic Chemistry","2013","52","","6231","6231","10.1021/ic401081m","","","0.71073","MoKα","","0.1315","0.0641","","","0.1482","0.1818","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334992","11.017","0.002","11.119","0.002","24.848","0.004","80.171","0.007","80.257","0.006","76.629","0.006","2891","0.9","170.2","","170.2","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H56 N9 O P2 Re -","- C63 H56 N9 O P2 Re -","- C126 H112 N18 O2 P4 Re2 -","2","1","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.7107","MoKα","","","0.0996","","","","0.2632","","","","","","1.173","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334993","28.4518","0.0006","12.2466","0.0004","20.5026","0.0005","90","","126.463","0.0006","90","","5745.4","0.3","170","","170","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C61 H53 Cl4 N6 P2 Re -","- C61 H53 Cl4 N6 P2 Re -","- C244 H212 Cl16 N24 P8 Re4 -","4","1","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.71075","MoKα","","","0.0609","","","","0.1731","","","","","","1.043","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334994","17.6081","0.0002","13.565","0.0002","22.809","0.0005","90","","101.76","0.0005","90","","5333.66","0.15","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C59 H49 Cl2 N6 P2 Re -","- C59 H49 Cl2 N6 P2 Re -","- C236 H196 Cl8 N24 P8 Re4 -","4","1","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.71075","MoKα","","","0.0278","","","","0.0657","","","","","","1.065","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334995","17.8025","0.0018","13.3672","0.0014","25.167","0.004","90","","90","","90","","5989","1.3","170","","170","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C65 H53 Cl4 N6 P2 Re -","- C65 H53 Cl4 N6 P2 Re -","- C260 H212 Cl16 N24 P8 Re4 -","4","1","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.71075","MoKα","","","0.0815","","","","0.2556","","","","","","1.056","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334996","17.3282","0.0006","23.0629","0.0006","13.5233","0.0004","90","","90","","90","","5404.4","0.3","170","","170","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H50 N7 O P2 Re -","- C62 H50 N7 O P2 Re -","- C248 H200 N28 O4 P8 Re4 -","4","0.5","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.71075","MoKα","","","0.0365","","","","0.077","","","","","","0.848","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334997","14.2377","0.0003","14.7409","0.0002","15.8576","0.0005","108.516","0.0006","99.8394","0.0006","114.972","0.0006","2674.75","0.11","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H49 N6 O2 P2 Re -","- C64 H49 N6 O2 P2 Re -","- C128 H98 N12 O4 P4 Re2 -","2","1","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.71075","MoKα","","","0.0351","","","","0.0965","","","","","","1.094","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334998","14.0874","0.0003","22.19","0.0007","18.1072","0.0005","90","","105.886","0.0007","90","","5444.1","0.3","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H47 N7 O3 P2 Re -","- C62 H47 N7 O3 P2 Re -","- C248 H188 N28 O12 P8 Re4 -","4","1","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.71075","MoKα","","","0.0673","","","","0.1554","","","","","","1.037","","","","has coordinates","179452","2020-10-21","18:00:00",""
"4334999","12.6241","0.0002","12.7121","0.0002","33.8633","0.0005","80.4592","0.0005","85.2153","0.0005","82.1026","0.0005","5298.11","0.14","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C57.5 H47 Cl3 N7 P2 Re -","- C57.5 H47 Cl3 N7 P2 Re -","- C230 H188 Cl12 N28 P8 Re4 -","4","2","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.71075","MoKα","","","0.0307","","","","0.0774","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335000","13.9026","0.0003","14.1565","0.0003","16.0409","0.0005","110.466","0.0008","90.2934","0.0008","107.09","0.0006","2806.58","0.12","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H48 Cl4 N7 P2 Re -","- C60 H48 Cl4 N7 P2 Re -","- C120 H96 Cl8 N14 P4 Re2 -","2","1","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.71075","MoKα","","","0.0386","","","","0.1061","","","","","","1.18","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335001","12.8223","0.0003","14.4774","0.0003","18.3372","0.0005","68.6593","0.0006","81.9011","0.0008","62.2832","0.0007","2805.13","0.12","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H52 N7 O P2 Re -","- C66 H52 N7 O P2 Re -","- C132 H104 N14 O2 P4 Re2 -","2","1","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.71075","MoKα","","","0.0589","","","","0.1576","","","","","","1.069","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335002","13.9373","0.0003","14.1798","0.0004","16.0434","0.0005","110.547","0.0011","90.2077","0.0009","107.332","0.0007","2813.29","0.14","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H48 Cl4 N7 P2 Tc -","- C60 H48 Cl4 N7 P2 Tc -","- C120 H96 Cl8 N14 P4 Tc2 -","2","1","","Hayato Ikeda; Akitaka Ito; Eri Sakuda; Noboru Kitamura; Tsutomu Takayama; Tsutomu Sekine; Atsushi Shinohara; Takashi Yoshimura","Excited-State Characteristics of Tetracyanidonitridorhenium(V) and -technetium(V) Complexes with N-Heteroaromatic Ligands","Inorganic Chemistry","2013","52","","6319","6327","10.1021/ic302463v","","","0.71075","MoKα","","","0.059","","","","0.1652","","","","","","1.086","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335003","13.634","0.003","10.733","0.002","9.916","0.002","90","","107.274","0.003","90","","1385.6","0.5","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 N3 O11 P2 Tb -","- C6 H10 N3 O11 P2 Tb -","- C24 H40 N12 O44 P8 Tb4 -","4","0.5","","Yunshan Zhou; Yan Guo; Sheng Xu; Lijuan Zhang; Waqar Ahmad; Zonghai Shi","Photoluminescent 3D Lanthanide-Organic Frameworks Based on 2,5-Dioxo-1,4-piperazinylbis(methylphosphonic) Acid Formed via in Situ Cyclodehydration of Glyphosates","Inorganic Chemistry","2013","52","","6338","6345","10.1021/ic302821w","","","0.71073","MoKα","","0.025","0.0217","","","0.0514","0.0524","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4335004","13.71","0.004","10.753","0.003","9.96","0.003","90","","107.421","0.004","90","","1401","0.7","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Eu N3 O11 P2 -","- C6 H10 Eu N3 O11 P2 -","- C24 H40 Eu4 N12 O44 P8 -","4","0.5","","Yunshan Zhou; Yan Guo; Sheng Xu; Lijuan Zhang; Waqar Ahmad; Zonghai Shi","Photoluminescent 3D Lanthanide-Organic Frameworks Based on 2,5-Dioxo-1,4-piperazinylbis(methylphosphonic) Acid Formed via in Situ Cyclodehydration of Glyphosates","Inorganic Chemistry","2013","52","","6338","6345","10.1021/ic302821w","","","0.71073","MoKα","","0.0192","0.0177","","","0.0432","0.0439","","","","","","0.997","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4335005","13.698","0.003","10.82","0.002","9.954","0.002","90","","107.16","0.03","90","","1409.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Gd N3 O11 P2 -","- C6 H10 Gd N3 O11 P2 -","- C24 H40 Gd4 N12 O44 P8 -","4","0.5","","Yunshan Zhou; Yan Guo; Sheng Xu; Lijuan Zhang; Waqar Ahmad; Zonghai Shi","Photoluminescent 3D Lanthanide-Organic Frameworks Based on 2,5-Dioxo-1,4-piperazinylbis(methylphosphonic) Acid Formed via in Situ Cyclodehydration of Glyphosates","Inorganic Chemistry","2013","52","","6338","6345","10.1021/ic302821w","","","0.71073","MoKα","","0.0171","0.0165","","","0.0425","0.0427","","","","","","1.21","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335006","10.552","0.005","11.547","0.005","11.927","0.005","104.585","0.005","91.466","0.005","104.431","0.005","1356","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 Dy4 N8 O28 -","- C38 H40 Dy4 N8 O28 -","- C38 H40 Dy4 N8 O28 -","1","0.5","","Vadapalli Chandrasekhar; Sakiat Hossain; Sourav Das; Sourav Biswas; Jean-Pascal Sutter","Rhombus-Shaped Tetranuclear [Ln4] Complexes [Ln = Dy(III) and Ho(III)]: Synthesis, Structure, and SMM Behavior","Inorganic Chemistry","2013","52","","6346","6353","10.1021/ic302848k","","","0.71069","MoKα","","0.0863","0.0703","","","0.2011","0.2365","","","","","","1.062","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335007","10.431","0.004","11.43","0.004","11.838","0.004","105.04","0.006","91.041","0.007","104.007","0.007","1317.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 Ho4 N8 O28 -","- C40 H34 Ho4 N8 O28 -","- C40 H34 Ho4 N8 O28 -","1","0.5","","Vadapalli Chandrasekhar; Sakiat Hossain; Sourav Das; Sourav Biswas; Jean-Pascal Sutter","Rhombus-Shaped Tetranuclear [Ln4] Complexes [Ln = Dy(III) and Ho(III)]: Synthesis, Structure, and SMM Behavior","Inorganic Chemistry","2013","52","","6346","6353","10.1021/ic302848k","","","0.71073","MoKα","","0.1299","0.0855","","","0.2179","0.2797","","","","","","1.052","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335008","7.4941","0.0004","10.6792","0.0005","20.0811","0.0008","90","","97.885","0.001","90","","1591.92","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cl N6 O Pt -","- C13 H19 Cl N6 O Pt -","- C52 H76 Cl4 N24 O4 Pt4 -","4","1","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Andreii S. Kritchenkov; Matti Haukka; Vadim Yu. Kukushkin","Amidrazone Complexes from a Cascade Platinum(II)-Mediated Reaction between Amidoximes and Dialkylcyanamides","Inorganic Chemistry","2013","52","","6378","6389","10.1021/ic4000878","","","0.71073","MoKα","","0.0328","0.0287","","","0.0501","0.051","","","","","","1.368","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335009","9.4089","0.0004","9.8549","0.0004","10.5345","0.0005","67.834","0.002","81.915","0.002","73.693","0.002","867.55","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H18 Cl N7 O3 Pt -","- C13 H18 Cl N7 O3 Pt -","- C26 H36 Cl2 N14 O6 Pt2 -","2","1","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Andreii S. Kritchenkov; Matti Haukka; Vadim Yu. Kukushkin","Amidrazone Complexes from a Cascade Platinum(II)-Mediated Reaction between Amidoximes and Dialkylcyanamides","Inorganic Chemistry","2013","52","","6378","6389","10.1021/ic4000878","","","0.71073","MoKα","","0.0246","0.0215","","","0.0639","0.0655","","","","","","1.061","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335010","9.9394","0.0003","12.2397","0.0004","20.1196","0.0005","90","","100.488","0.001","90","","2406.76","0.12","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl N9 O5 Pt -","- C20 H26 Cl N7 O Pt -","- C80 H104 Cl4 N28 O4 Pt4 -","4","1","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Andreii S. Kritchenkov; Matti Haukka; Vadim Yu. Kukushkin","Amidrazone Complexes from a Cascade Platinum(II)-Mediated Reaction between Amidoximes and Dialkylcyanamides","Inorganic Chemistry","2013","52","","6378","6389","10.1021/ic4000878","","","0.71073","MoKα","","0.0393","0.037","","","0.0816","0.0822","","","","","","1.377","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335011","13.1649","0.0007","21.1238","0.0007","12.0252","0.001","90","","111.041","0.003","90","","3121.1","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 Cl2 N5 Pt -","- C12 H19 Cl2 N5 Pt -","- C96 H152 Cl16 N40 Pt8 -","8","1","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Andreii S. Kritchenkov; Matti Haukka; Vadim Yu. Kukushkin","Amidrazone Complexes from a Cascade Platinum(II)-Mediated Reaction between Amidoximes and Dialkylcyanamides","Inorganic Chemistry","2013","52","","6378","6389","10.1021/ic4000878","","","0.71073","MoKα","","0.0318","0.0206","","","0.037","0.0396","","","","","","1.017","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335012","10.1386","0.0002","13.6859","0.0003","19.3404","0.0004","72.852","0.001","87.326","0.001","75.824","0.001","2485.26","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H34 Cl2 N6 O3 Pt -","- C20 H34 Cl2 N6 O3 Pt -","- C80 H136 Cl8 N24 O12 Pt4 -","4","2","","Dmitrii S. Bolotin; Nadezhda A. Bokach; Andreii S. Kritchenkov; Matti Haukka; Vadim Yu. Kukushkin","Amidrazone Complexes from a Cascade Platinum(II)-Mediated Reaction between Amidoximes and Dialkylcyanamides","Inorganic Chemistry","2013","52","","6378","6389","10.1021/ic4000878","","","0.71073","MoKα","","0.0421","0.0382","","","0.0869","0.0896","","","","","","1.13","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335013","49.9599","0.001","13.275","0.002","19.1706","0.001","90","","109.924","0.002","90","","11953.3","1.9","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H63.5 Co Dy N4 O9.25 P3 -","- C61 H63.5 Co Dy N4 O9.25 P3 -","- C488 H508 Co8 Dy8 N32 O74 P24 -","8","1","","Feng Gao; Min-Xia Yao; Yu-Yang Li; Yi-Zhi Li; You Song; Jing-Lin Zuo","Syntheses, Structures, and Magnetic Properties of seven-coordinate Lanthanide Porphyrinate or Phthalocyaninate Complexes with Kläui's Tripodal Ligand","Inorganic Chemistry","2013","52","","6407","6416","10.1021/ic400245n","","","0.71073","MoKα","","0.0846","0.059","","","0.1334","0.1437","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335014","49.9431","0.001","13.244","0.002","19.2086","0.001","90","","110.061","0.002","90","","11934.6","1.9","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H63.5 Co N4 O9.25 P3 Tb -","- C61 H63.5 Co N4 O9.25 P3 Tb -","- C488 H508 Co8 N32 O74 P24 Tb8 -","8","1","","Feng Gao; Min-Xia Yao; Yu-Yang Li; Yi-Zhi Li; You Song; Jing-Lin Zuo","Syntheses, Structures, and Magnetic Properties of seven-coordinate Lanthanide Porphyrinate or Phthalocyaninate Complexes with Kläui's Tripodal Ligand","Inorganic Chemistry","2013","52","","6407","6416","10.1021/ic400245n","","","0.71073","MoKα","","0.0868","0.059","","","0.1275","0.1363","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335015","49.9728","0.0013","13.2749","0.0011","19.1507","0.0016","90","","109.889","0.002","90","","11946.5","1.4","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H63.5 Co Ho N4 O9.25 P3 -","- C61 H63.5 Co Ho N4 O9.25 P3 -","- C488 H508 Co8 Ho8 N32 O74 P24 -","8","1","","Feng Gao; Min-Xia Yao; Yu-Yang Li; Yi-Zhi Li; You Song; Jing-Lin Zuo","Syntheses, Structures, and Magnetic Properties of seven-coordinate Lanthanide Porphyrinate or Phthalocyaninate Complexes with Kläui's Tripodal Ligand","Inorganic Chemistry","2013","52","","6407","6416","10.1021/ic400245n","","","0.71073","MoKα","","0.087","0.0606","","","0.1346","0.1427","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335016","49.9289","0.0017","13.2326","0.0019","19.2525","0.0016","90","","110.093","0.002","90","","11946","2","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H63.5 Co Gd N4 O9.25 P3 -","- C61 H63.5 Co Gd N4 O9.25 P3 -","- C488 H508 Co8 Gd8 N32 O74 P24 -","8","1","","Feng Gao; Min-Xia Yao; Yu-Yang Li; Yi-Zhi Li; You Song; Jing-Lin Zuo","Syntheses, Structures, and Magnetic Properties of seven-coordinate Lanthanide Porphyrinate or Phthalocyaninate Complexes with Kläui's Tripodal Ligand","Inorganic Chemistry","2013","52","","6407","6416","10.1021/ic400245n","","","0.71073","MoKα","","0.0862","0.0611","","","0.1262","0.1323","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335017","12.0106","0.0014","23.4836","0.0013","19.4434","0.0011","90","","107.286","0.003","90","","5236.4","0.7","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H51 Co Dy N8 O9 P3 -","- C49 H51 Co Dy N8 O9 P3 -","- C196 H204 Co4 Dy4 N32 O36 P12 -","4","1","","Feng Gao; Min-Xia Yao; Yu-Yang Li; Yi-Zhi Li; You Song; Jing-Lin Zuo","Syntheses, Structures, and Magnetic Properties of seven-coordinate Lanthanide Porphyrinate or Phthalocyaninate Complexes with Kläui's Tripodal Ligand","Inorganic Chemistry","2013","52","","6407","6416","10.1021/ic400245n","","","0.71073","MoKα","","0.0692","0.0539","","","0.1351","0.143","","","","","","1.092","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335018","11.9919","0.0016","23.3779","0.0015","19.4366","0.0012","90","","107.531","0.003","90","","5195.9","0.8","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H51 Co N8 O9 P3 Tb -","- C49 H51 Co N8 O9 P3 Tb -","- C196 H204 Co4 N32 O36 P12 Tb4 -","4","1","","Feng Gao; Min-Xia Yao; Yu-Yang Li; Yi-Zhi Li; You Song; Jing-Lin Zuo","Syntheses, Structures, and Magnetic Properties of seven-coordinate Lanthanide Porphyrinate or Phthalocyaninate Complexes with Kläui's Tripodal Ligand","Inorganic Chemistry","2013","52","","6407","6416","10.1021/ic400245n","","","0.71073","MoKα","","0.0575","0.0529","","","0.1279","0.1288","","","","","","1.007","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335019","12.0291","0.0014","23.5502","0.0017","19.3964","0.0011","90","","107.189","0.003","90","","5249.3","0.8","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H51 Co Ho N8 O9 P3 -","- C49 H51 Co Ho N8 O9 P3 -","- C196 H204 Co4 Ho4 N32 O36 P12 -","4","1","","Feng Gao; Min-Xia Yao; Yu-Yang Li; Yi-Zhi Li; You Song; Jing-Lin Zuo","Syntheses, Structures, and Magnetic Properties of seven-coordinate Lanthanide Porphyrinate or Phthalocyaninate Complexes with Kläui's Tripodal Ligand","Inorganic Chemistry","2013","52","","6407","6416","10.1021/ic400245n","","","0.71073","MoKα","","0.0753","0.061","","","0.1514","0.1592","","","","","","1.018","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335020","12.0228","0.0014","23.3928","0.0017","19.5605","0.0015","90","","107.365","0.003","90","","5250.6","0.8","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H51 Co Gd N8 O9 P3 -","- C49 H51 Co Gd N8 O9 P3 -","- C196 H204 Co4 Gd4 N32 O36 P12 -","4","1","","Feng Gao; Min-Xia Yao; Yu-Yang Li; Yi-Zhi Li; You Song; Jing-Lin Zuo","Syntheses, Structures, and Magnetic Properties of seven-coordinate Lanthanide Porphyrinate or Phthalocyaninate Complexes with Kläui's Tripodal Ligand","Inorganic Chemistry","2013","52","","6407","6416","10.1021/ic400245n","","","0.71073","MoKα","","0.0732","0.0573","","","0.1442","0.1516","","","","","","1.016","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335021","16.705","0.003","14.313","0.002","10.486","0.002","90","","90","","90","","2507.2","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H35 N2 Si Y -","- C28 H35 N2 Si Y -","- C112 H140 N8 Si4 Y4 -","4","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.1534","0.0535","","","0.0818","0.1049","","","","","","0.948","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335022","16.8977","0.001","14.196","0.0008","10.6987","0.0006","90","","92.734","0.001","90","","2563.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 N2 Si Yb -","- C28 H36 N2 Si Yb -","- C112 H144 N8 Si4 Yb4 -","4","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.0348","0.0236","","","0.0548","0.0605","","","","","","0.868","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335023","14.1593","0.0011","11.146","0.0009","16.4497","0.0013","90","","96.043","0.001","90","","2581.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Eu N2 Si -","- C28 H36 Eu N2 Si -","- C112 H144 Eu4 N8 Si4 -","4","0.5","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.0265","0.025","","","0.0635","0.0642","","","","","","1.104","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4335024","14.7184","0.0016","11.0574","0.0012","19.094","0.002","90","","106.225","0.001","90","","2983.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N2 Si Yb -","- C36 H40 N2 Si Yb -","- C144 H160 N8 Si4 Yb4 -","4","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.0486","0.0415","","","0.1089","0.1139","","","","","","1.269","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335025","14.4789","0.0015","17.4808","0.0018","22.085","0.002","90","","90","","90","","5589.8","1","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H40 Eu N2 Si -","- C30 H40 Eu N2 Si -","- C240 H320 Eu8 N16 Si8 -","8","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.0833","0.0331","","","0.0656","0.0816","","","","","","0.987","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335026","14.4602","0.0011","17.4472","0.0013","22.0605","0.0016","90","","90","","90","","5565.6","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H40 N2 Si Sm -","- C30 H40 N2 Si Sm -","- C240 H320 N16 Si8 Sm8 -","8","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.1112","0.0421","","","0.0729","0.0911","","","","","","0.939","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335027","14.7682","0.0002","11.4975","0.0002","20.9333","0.0003","90","","95.046","0.001","90","","3540.64","0.09","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Eu N2 O2 Si -","- C32 H40 Eu N2 O2 Si -","- C128 H160 Eu4 N8 O8 Si4 -","4","0.5","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.0578","0.0527","","","0.1748","0.1788","","","","","","1.162","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4335028","16.7214","0.0018","10.5069","0.0012","14.3848","0.0016","90","","90","","90","","2527.3","0.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H35 N O Si Yb -","- C28 N O Si Yb -","- C112 N4 O4 Si4 Yb4 -","4","0.5","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.0541","0.048","","","0.1448","0.1472","","","","","","1.31","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335029","16.962","0.003","14.525","0.002","10.5377","0.0015","90","","90","","90","","2596.2","0.7","294","2","294","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H35 Eu N O Si -","- C28 H35 Eu N O Si -","- C112 H140 Eu4 N4 O4 Si4 -","4","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.0726","0.042","","","0.0852","0.0999","","","","","","1.084","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335030","13.342","0.004","13.345","0.004","15.665","0.005","92.379","0.005","92.183","0.005","95.083","0.006","2773.3","1.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H68 Cl2 Nd2 O4 Si2 -","- C59 H68 Cl2 Nd2 O4 Si2 -","- C118 H136 Cl4 Nd4 O8 Si4 -","2","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.1286","0.0828","","","0.2081","0.2556","","","","","","1.116","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335031","9.0522","0.0007","18.1657","0.0013","18.2189","0.0013","106.423","0.001","90.304","0.001","100.4","0.001","2821.4","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H72 Cl3 Li N4 Si2 Sm2 -","- C56 H72 Cl3 Li N4 Si2 Sm2 -","- C112 H144 Cl6 Li2 N8 Si4 Sm4 -","2","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.0496","0.0325","","","0.061","0.0644","","","","","","1.26","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335032","16.577","0.014","14.323","0.012","10.305","0.009","90","","90","","90","","2447","4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H35 N2 Si Sm -","- C28 H35 N2 Si Sm -","- C112 H140 N8 Si4 Sm4 -","4","1","","Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu","Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge","Inorganic Chemistry","2013","52","","6417","6426","10.1021/ic4003109","","","0.71073","MoKα","","0.1701","0.0648","","","0.1006","0.1345","","","","","","0.974","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335033","13.2379","0.0016","19.726","0.002","15.9349","0.0019","90","","103.309","0.004","90","","4049.3","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H55 N11 O2 -","- C39 H55 N11 O2 -","- C156 H220 N44 O8 -","4","1","","Debasish Jana; Ganesan Mani; Carola Schulzke","Synthesis of Novel Polyazacryptands for Recognition of Tetrahedral Oxoanions and Their X-ray Structures","Inorganic Chemistry","2013","52","","6427","6439","10.1021/ic400319b","","","0.71073","MoKα","","0.2077","0.0842","","","0.208","0.2701","","","","","","1.028","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335034","10.7107","0.0008","11.4969","0.0009","14.4633","0.0011","99.001","0.002","101.778","0.002","111.484","0.002","1569.2","0.2","293","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 N9 O -","- C32 H43 N9 O -","- C64 H86 N18 O2 -","2","1","","Debasish Jana; Ganesan Mani; Carola Schulzke","Synthesis of Novel Polyazacryptands for Recognition of Tetrahedral Oxoanions and Their X-ray Structures","Inorganic Chemistry","2013","52","","6427","6439","10.1021/ic400319b","","","0.71073","MoKα","","0.0479","0.0365","","","0.0971","0.1069","","","","","","1.026","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335035","16.024","0.003","15.833","0.003","23.489","0.005","90","","109.111","0.006","90","","5630.9","1.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H66 Cl3 N11 -","- C57 H64 Cl N11 -","- C228 H256 Cl4 N44 -","4","1","","Debasish Jana; Ganesan Mani; Carola Schulzke","Synthesis of Novel Polyazacryptands for Recognition of Tetrahedral Oxoanions and Their X-ray Structures","Inorganic Chemistry","2013","52","","6427","6439","10.1021/ic400319b","","","0.71073","MoKα","","0.1135","0.058","","","0.1435","0.1676","","","","","","0.911","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335036","13.81","0.004","15.403","0.005","18.966","0.006","90","","91.868","0.01","90","","4032","2","293","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H53 N11 O4 S -","- C39 H53 N11 O4 S -","- C156 H212 N44 O16 S4 -","4","1","","Debasish Jana; Ganesan Mani; Carola Schulzke","Synthesis of Novel Polyazacryptands for Recognition of Tetrahedral Oxoanions and Their X-ray Structures","Inorganic Chemistry","2013","52","","6427","6439","10.1021/ic400319b","","","0.71073","MoKα","","0.1217","0.0527","","","0.1007","0.1254","","","","","","0.98","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335037","22.635","0.005","15.677","0.003","11.689","0.003","90","","104.148","0.01","90","","4022","1.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C39 H54 N11 O4 P -","- C39 H54 N11 O4 P -","- C156 H216 N44 O16 P4 -","4","1","","Debasish Jana; Ganesan Mani; Carola Schulzke","Synthesis of Novel Polyazacryptands for Recognition of Tetrahedral Oxoanions and Their X-ray Structures","Inorganic Chemistry","2013","52","","6427","6439","10.1021/ic400319b","","","0.71073","MoKα","","0.1555","0.0957","","","0.2184","0.2458","","","","","","0.957","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335038","13.0215","0.0012","16.1623","0.0015","16.6439","0.0015","66.874","0.003","67.727","0.003","67.019","0.003","2858.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H88 As N11 O21 -","- C39 H57 As N11 O7.5 -","- C78 H114 As2 N22 O15 -","2","1","","Debasish Jana; Ganesan Mani; Carola Schulzke","Synthesis of Novel Polyazacryptands for Recognition of Tetrahedral Oxoanions and Their X-ray Structures","Inorganic Chemistry","2013","52","","6427","6439","10.1021/ic400319b","","","0.71073","MoKα","","0.121","0.0697","","","0.1778","0.1936","","","","","","0.906","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335039","8.4942","0.0005","9.8122","0.0006","12.9285","0.0008","81.778","0.001","85.186","0.001","87.532","0.001","1062.18","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Eu N5 O9 -","- C17 H22 Eu N5 O9 -","- C34 H44 Eu2 N10 O18 -","2","1","","Jin-Ji Wu; Yu-Xin Ye; Ying-Yu Qiu; Zheng-Ping Qiao; Man-Li Cao; Bao-Hui Ye","Solvent-Mediated Crystal-to-Crystal Interconversion between Discrete Lanthanide Complexes and One-Dimensional Coordination Polymers and Selective Sensing for Small Molecules","Inorganic Chemistry","2013","52","","6450","6456","10.1021/ic400340y","","","0.71073","MoKα","","0.0235","0.0221","","","0.0579","0.0599","","","","","","1.162","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335040","16.4951","0.0009","12.0236","0.0006","15.6395","0.0008","90","","120.784","0.001","90","","2664.8","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Eu N7 O7 -","- C23 H28 Eu N7 O7 -","- C92 H112 Eu4 N28 O28 -","4","0.5","","Jin-Ji Wu; Yu-Xin Ye; Ying-Yu Qiu; Zheng-Ping Qiao; Man-Li Cao; Bao-Hui Ye","Solvent-Mediated Crystal-to-Crystal Interconversion between Discrete Lanthanide Complexes and One-Dimensional Coordination Polymers and Selective Sensing for Small Molecules","Inorganic Chemistry","2013","52","","6450","6456","10.1021/ic400340y","","","0.71073","MoKα","","0.0208","0.0203","","","0.0532","0.0537","","","","","","1.087","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335041","6.4132","0.0011","26.71","0.005","30.792","0.005","90","","90","","90","","5274.6","1.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C60 H47.64 N13 O6.32 -","- C60 H47.64 N13 O6.32 -","- C240 H190.56 N52 O25.28 -","4","1","","Shivaiah Vaddypally; Chongsong Xu; Senzhi Zhao; Yanfeng Fan; Christian E. Schafmeister; Michael J. Zdilla","Architectural Spiroligomers Designed for Binuclear Metal Complex Templating","Inorganic Chemistry","2013","52","","6457","6463","10.1021/ic4003498","","","0.71073","MoKα","","0.0453","0.0364","","","0.0796","0.087","","","","","","1.053","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335042","39.647","0.005","15.4126","0.0019","27.329","0.003","90","","90","","90","","16700","3","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C120 H94 Cl2 Mn2 N24 O24 -","- C120 H94 Cl2 Mn2 N24 O24 -","- C480 H376 Cl8 Mn8 N96 O96 -","4","0.5","","Shivaiah Vaddypally; Chongsong Xu; Senzhi Zhao; Yanfeng Fan; Christian E. Schafmeister; Michael J. Zdilla","Architectural Spiroligomers Designed for Binuclear Metal Complex Templating","Inorganic Chemistry","2013","52","","6457","6463","10.1021/ic4003498","","","0.71073","MoKα","","0.0868","0.0642","","","0.1634","0.1737","","","","","","1.069","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335043","13.9716","0.0011","16.1139","0.0013","19.7129","0.0016","88","0.001","72.118","0.001","67.78","0.001","3893.4","0.5","172","2","172","2","","","","","","","","6","P 1","P 1","1","","","","- C116 H88 Cl4 N24 O28 Zn2 -","- C116 H88 Cl4 N24 O28 Zn2 -","- C116 H88 Cl4 N24 O28 Zn2 -","1","1","","Shivaiah Vaddypally; Chongsong Xu; Senzhi Zhao; Yanfeng Fan; Christian E. Schafmeister; Michael J. Zdilla","Architectural Spiroligomers Designed for Binuclear Metal Complex Templating","Inorganic Chemistry","2013","52","","6457","6463","10.1021/ic4003498","","","0.71073","MoKα","","0.0693","0.0553","","","0.161","0.1722","","","","","","1.11","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335044","16.467","0.003","24.962","0.005","27.659","0.006","100.71","0.03","93.73","0.03","98.49","0.03","10999","4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C126.5 H100 Cl4 Mn2 N24 O28 -","- C126.5 H100 Cl3 Mn2 N24 O24 -","- C253 H200 Cl6 Mn4 N48 O48 -","2","2","","Shivaiah Vaddypally; Chongsong Xu; Senzhi Zhao; Yanfeng Fan; Christian E. Schafmeister; Michael J. Zdilla","Architectural Spiroligomers Designed for Binuclear Metal Complex Templating","Inorganic Chemistry","2013","52","","6457","6463","10.1021/ic4003498","","","0.71073","MoKα","","0.2299","0.1263","","","0.275","0.3188","","","","","","0.788","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335045","12.0686","0.0013","17.212","0.0019","13.7659","0.0015","90","","106.286","0.002","90","","2744.8","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C62 H60 N12 O10 -","- C58 H44 N12 O6 -","- C116 H88 N24 O12 -","2","1","","Shivaiah Vaddypally; Chongsong Xu; Senzhi Zhao; Yanfeng Fan; Christian E. Schafmeister; Michael J. Zdilla","Architectural Spiroligomers Designed for Binuclear Metal Complex Templating","Inorganic Chemistry","2013","52","","6457","6463","10.1021/ic4003498","","","0.71073","MoKα","","0.0941","0.0545","","","0.1231","0.1365","","","","","","1.011","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335046","8.6614","0.0012","13.3979","0.0019","23.497","0.003","73.94","0.002","86.356","0.003","76.467","0.003","2547.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H24 Au N2 O3 P S -","- C27 H24 Au N2 O3 P S -","- C108 H96 Au4 N8 O12 P4 S4 -","4","2","","Alejandro Gutiérrez; Javier Bernal; M. Dolores Villacampa; Carlos Cativiela; Antonio Laguna; M. Concepción Gimeno","Synthesis of New Gold(I) Thiolates Containing Amino Acid Moieties with Potential Biological Interest","Inorganic Chemistry","2013","52","","6473","6480","10.1021/ic4003803","","","0.71073","MoKα","","0.0858","0.0583","","","0.1108","0.1207","","","","","","1.047","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335047","12.9541","0.0002","14.5853","0.0003","15.0967","0.0003","90","","90","","90","","2852.36","0.09","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Au N2 O3 P S -","- C30 H30 Au N2 O3 P S -","- C120 H120 Au4 N8 O12 P4 S4 -","4","1","","Alejandro Gutiérrez; Javier Bernal; M. Dolores Villacampa; Carlos Cativiela; Antonio Laguna; M. Concepción Gimeno","Synthesis of New Gold(I) Thiolates Containing Amino Acid Moieties with Potential Biological Interest","Inorganic Chemistry","2013","52","","6473","6480","10.1021/ic4003803","","","0.71073","MoKα","","0.0166","0.0162","","","0.0357","0.0359","","","","","","1.06","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335048","9.257","0.002","11.733","0.003","17.132","0.005","97.5","0.013","99.13","0.015","111.02","0.012","1679.1","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H28 F6 N7 Os P -","- C37 H28 F6 N7 Os P -","- C74 H56 F12 N14 Os2 P2 -","2","1","","Jiang-Yang Shao; Yu-Wu Zhong","Monometallic Osmium(II) Complexes with Bis(N-methylbenzimidazolyl)benzene or -pyridine: A Comparison Study with Ruthenium(II) Analogues","Inorganic Chemistry","2013","52","","6464","6472","10.1021/ic400385b","","","0.71073","MoKα","","0.0531","0.0458","","","0.1249","0.1529","","","","","","1.315","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335049","13.199","0.0018","18.001","0.003","18.683","0.002","95.03","0.003","90.19","0.002","104.01","0.003","4289","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 F12 N8 Os P2 -","- C36 H28 F12 N8 Os P2 -","- C144 H112 F48 N32 Os4 P8 -","4","2","","Jiang-Yang Shao; Yu-Wu Zhong","Monometallic Osmium(II) Complexes with Bis(N-methylbenzimidazolyl)benzene or -pyridine: A Comparison Study with Ruthenium(II) Analogues","Inorganic Chemistry","2013","52","","6464","6472","10.1021/ic400385b","","","0.71073","MoKα","","0.0749","0.0594","","","0.1734","0.1853","","","","","","1.079","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335050","7.636","0.007","10.441","0.01","13.432","0.013","91.624","0.016","104.902","0.019","90.042","0.017","1034.4","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cl2 N3 O5 -","- C20 H19 Cl2 N3 O5 -","- C40 H38 Cl4 N6 O10 -","2","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0728","0.044","","","0.0922","0.1045","","","","","","1.028","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335051","13.163","0.0003","13.1895","0.0003","13.4888","0.0003","99.7871","0.0017","99.9915","0.0017","104.993","0.0017","2170.23","0.09","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Br2 N3 O5 -","- C20 H19 Br2 N3 O5 -","- C80 H76 Br8 N12 O20 -","4","2","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","","0.7107","MoKα","","0.0539","0.041","","","0.1041","0.1114","","","","","","1.042","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335052","10.94","0.006","9.683","0.004","19.738","0.009","90","","92.285","0.012","90","","2089.2","1.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O5 -","- C22 H25 N3 O5 -","- C88 H100 N12 O20 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0777","0.0485","","","0.1177","0.1355","","","","","","1.019","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335053","12.059","0.006","9.582","0.005","18.499","0.009","90","","92.933","0.009","90","","2134.7","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O7 -","- C22 H25 N3 O7 -","- C88 H100 N12 O28 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0722","0.047","","","0.1134","0.1289","","","","","","1.015","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335054","9.5579","0.0004","12.919","0.0006","18.6941","0.0008","91.229","0.004","91.003","0.003","92.085","0.003","2305.87","0.17","114.94","0.18","114.94","0.18","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N3 O7 -","- C24 H29 N3 O7 -","- C96 H116 N12 O28 -","4","2","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","1.5418","CuKα","","0.0647","0.0491","","","0.1525","0.1827","","","","","","1.046","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335055","11.684","0.005","9.606","0.005","19.602","0.009","90","","93.683","0.013","90","","2195.5","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O5 S2 -","- C22 H25 N3 O5 S2 -","- C88 H100 N12 O20 S8 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0565","0.044","","","0.1156","0.1254","","","","","","1.04","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335056","15.29","0.007","13.103","0.006","17.816","0.009","90","","91.641","0.017","90","","3568","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 Br2 Cl2 Cu N6 O14 -","- C27 H32 Br2 Cl2 Cu N6 O14 -","- C108 H128 Br8 Cl8 Cu4 N24 O56 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0706","0.0425","","","0.091","0.1029","","","","","","1.01","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335057","12.364","0.002","15.697","0.002","18.386","0.003","89.846","0.002","79.582","0.004","82.368","0.004","3477.6","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28.5 H35.25 Cl2 Cu N5.75 O15 -","- C28.5 H35.25 Cl2 Cu N5.75 O15 -","- C114 H141 Cl8 Cu4 N23 O60 -","4","2","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0874","0.0558","","","0.1254","0.1508","","","","","","1.071","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335058","11.5947","0.0005","13.473","0.0006","13.9099","0.0005","65.62","0.004","79.171","0.004","65.285","0.004","1797.57","0.15","99.9","0.3","99.9","0.3","","","","","","","","7","P -1","-P 1","2","","","","- C29 H38 Cl2 Cu N6 O14 S2 -","- C29 H38 Cl2 Cu N6 O14 S2 -","- C58 H76 Cl4 Cu2 N12 O28 S4 -","2","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","1.5418","CuKα","","0.0393","0.0321","","","0.0789","0.0833","","","","","","1.025","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335059","13.4969","0.0003","12.728","0.0002","18.1306","0.0003","90","","94.3369","0.0018","90","","3105.71","0.1","114.94","0.18","115","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H32.3 Cl2 Cu N4 O16.15 -","- C25 H32.29 Cl2 Cu N4 O16.145 -","- C100 H129.16 Cl8 Cu4 N16 O64.58 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.7107","MoKα","","0.0628","0.055","","","0.1284","0.1318","","","","","","1.15","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335060","14.79731","0.0001","13.93906","0.00009","16.76265","0.00014","90","","110.607","0.0009","90","","3236.26","0.04","115.01","0.1","115","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Cl2 Cu N6 O13 -","- C27 H32 Cl2 Cu N6 O13 -","- C108 H128 Cl8 Cu4 N24 O52 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","1.5418","CuKα","","0.0458","0.0448","","","0.1105","0.1111","","","","","","1.064","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335061","15.36945","0.00015","12.86281","0.0001","17.41038","0.00012","90","","90.5118","0.0007","90","","3441.8","0.05","115","1","115","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 Cl4 Cu N6 O13 -","- C27 H32 Cl4 Cu N6 O13 -","- C108 H128 Cl16 Cu4 N24 O52 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","1.5418","CuKα","","0.0383","0.0354","","","0.089","0.0908","","","","","","1.021","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335062","11.954","0.006","12.509","0.006","13.183","0.006","62.649","0.007","71.827","0.015","75.236","0.013","1649","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H35 Cl2 Cu N5 O15 -","- C27 H35 Cl2 Cu N5 O15 -","- C54 H70 Cl4 Cu2 N10 O30 -","2","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.05","0.0354","","","0.0943","0.1126","","","","","","1.109","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335063","9.953","0.005","10.32","0.005","17.131","0.008","90","","92.223","0.012","90","","1758.3","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N5 O5 -","- C18 H19 N5 O5 -","- C72 H76 N20 O20 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0679","0.0481","","","0.117","0.1305","","","","","","1.024","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335064","11.159","0.005","9.18","0.004","22.779","0.011","90","","102.146","0.016","90","","2281.2","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Br4 N3 O5 -","- C20 H17 Br4 N3 O5 -","- C80 H68 Br16 N12 O20 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0337","0.0235","","","0.0472","0.0522","","","","","","1.051","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335065","22.835","0.011","9.567","0.004","21.993","0.012","90","","97.143","0.007","90","","4767","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H24.32 Br2 N4 O5.16 -","- C23 H24.32 Br2 N4 O5.16 -","- C184 H194.56 Br16 N32 O41.28 -","8","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0675","0.0411","","","0.0958","0.1083","","","","","","1.028","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335066","21.7325","0.0003","14.04059","0.00014","7.83516","0.00008","90","","90","","90","","2390.8","0.05","99.9","0.3","99.9","0.3","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C25 H30 N4 O5 -","- C25 H30 N4 O5 -","- C100 H120 N16 O20 -","4","0.5","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.7107","MoKα","","0.0607","0.0579","","","0.1563","0.1599","","","","","","1.126","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335067","33.75","0.002","8.2327","0.0006","19.4466","0.0014","90","","108.129","0.001","90","","5135.1","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H30 N4 O5 S2 -","- C25 H30 N4 O5 S2 -","- C200 H240 N32 O40 S16 -","8","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0746","0.0525","","","0.1366","0.1463","","","","","","1.263","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335068","9.13445","0.00007","20.36668","0.00011","12.66689","0.00007","90","","98.3614","0.0006","90","","2331.48","0.03","110","0.1","110","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 N4 O5 -","- C25 H30 N4 O5 -","- C100 H120 N16 O20 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","1.5418","CuKα","","0.0366","0.0356","","","0.0891","0.0898","","","","","","1.045","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335069","8.741","0.004","23.49","0.011","10.59","0.004","90","","109.987","0.013","90","","2043.4","1.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N6 O5 -","- C21 H24 N6 O5 -","- C84 H96 N24 O20 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0657","0.0464","","","0.1132","0.1251","","","","","","1.035","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335070","10.003","0.004","11.617","0.005","11.979","0.006","104.794","0.015","95.52","0.011","104.576","0.013","1283.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Br4 N4 O5 -","- C23 H22 Br4 N4 O5 -","- C46 H44 Br8 N8 O10 -","2","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0322","0.0248","","","0.0586","0.0628","","","","","","1.029","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335071","12.439","0.005","12.415","0.005","15.248","0.007","90","","92.782","0.012","90","","2352","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cl2 N4 O5 -","- C23 H26 Cl2 N4 O5 -","- C92 H104 Cl8 N16 O20 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0601","0.0412","","","0.095","0.1057","","","","","","1.03","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335072","11.138","0.004","11.75","0.005","18.692","0.008","90","","90","","90","","2446.3","1.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N4 O7 -","- C25 H32 N4 O7 -","- C100 H128 N16 O28 -","4","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0461","0.0379","","","0.0917","0.0974","","","","","","1.042","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335073","11.691","0.007","13.37","0.007","14.054","0.007","111.36","0.012","94.264","0.015","113.549","0.012","1812.2","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H35 Cl2 Cu N8 O19.5 -","- C27 H32 Cl2 Cu N8 O19.498 -","- C54 H64 Cl4 Cu2 N16 O38.996 -","2","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0831","0.053","","","0.1241","0.1432","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335074","11.018","0.006","11.64","0.005","14.746","0.007","104.756","0.014","101.637","0.009","105.75","0.009","1684","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H31.42 Cl4 Cu N6 O13.71 -","- C27 H31.422 Cl4 Cu N6 O13.711 -","- C54 H62.844 Cl8 Cu2 N12 O27.422 -","2","1","","Peter Comba; Michael Morgen; Hubert Wadepohl","Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups","Inorganic Chemistry","2013","52","","6481","6501","10.1021/ic4004214","","x-ray","0.71073","MoKα","","0.0799","0.0459","","","0.0983","0.1111","","","","","","1.029","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335075","13.444","0.003","16.053","0.003","18.075","0.004","110.9","0.03","106.52","0.03","91.96","0.03","3453.5","1.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","(2,3-diphenyl-prop-1-en-3-one-ylidene)-{κ^2^<i>C</i>,<i>N</i>-3-methyl-1- (pyrid-2-ylmethyl)-2,3-dihydro-imidazole-2-ylidene}-{κ^3^<i>N</i>,<i>N</i>', <i>N</i>''-<i>tris</i>(pirazolyl)borate}-ruthenium(II) <i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate 0.52 dichloromethane solvate","","- C66.58 H44.17 B2 Cl1.17 F24 N9 O Ru -","- C66.583 H44.166 B2 Cl1.166 F24 N9 O Ru -","- C133.166 H88.332 B4 Cl2.332 F48 N18 O2 Ru2 -","2","1","","Francys E. Fernández; María del Carmen Puerta; Pedro Valerga","Functionalized N-Heterocyclic Carbene Nonspectator Ligands upon Internal Alkyne Activation Reactions","Inorganic Chemistry","2013","52","","6502","6509","10.1021/ic400433z","","x-ray","0.71073","MoKα","","0.0611","0.0568","","","0.1451","0.149","","","","","","1.058","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335076","24.533","0.005","19.257","0.004","13.229","0.003","90","","90","","90","","6250","2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","{Hydrotris(pyrazolyl)borate-κ^3^ <i>N</i>,<i>N</i>',<i>N</i>''}-{1-phenyl-2- (1-methyl-1H-imidazol-2-yl)-3-pyridyl-prop-1-ylidene-2-carboxylic acid methyl ester-κ^3^ <i>C</i>,<i>N</i>,<i>N</i>'}-ruthenium(II) <i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate","","- C61 H41 B2 F24 N9 O2 Ru -","- C61 H41 B2 F24 N9 O2 Ru -","- C244 H164 B8 F96 N36 O8 Ru4 -","4","1","","Francys E. Fernández; María del Carmen Puerta; Pedro Valerga","Functionalized N-Heterocyclic Carbene Nonspectator Ligands upon Internal Alkyne Activation Reactions","Inorganic Chemistry","2013","52","","6502","6509","10.1021/ic400433z","","x-ray","0.71073","MoKα","","0.0825","0.0655","","","0.1481","0.162","","","","","","1.059","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335077","16.955","0.003","20.205","0.004","37.714","0.008","90","","90","","90","","12920","4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","{Hydrotris(pyrazolyl)borate-κ^3^ <i>N</i>,<i>N</i>',<i>N</i>''}- {1-(4-trifluoromethylphenyl)-2-(1-methyl-1H-imidazol-2-yl)-3-pyridyl-prop-1- ylidene-2-carboxylic acid methyl ester-κ^3^ <i>C</i>,<i>N</i>,<i>N</i>'} -ruthenium(II) <i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate","","- C62 H40 B2 F27 N9 O2 Ru -","- C62 H40 B2 F27 N9 O2 Ru -","- C496 H320 B16 F216 N72 O16 Ru8 -","8","1","","Francys E. Fernández; María del Carmen Puerta; Pedro Valerga","Functionalized N-Heterocyclic Carbene Nonspectator Ligands upon Internal Alkyne Activation Reactions","Inorganic Chemistry","2013","52","","6502","6509","10.1021/ic400433z","","x-ray","0.71073","MoKα","","0.0904","0.0797","","","0.1355","0.1406","","","","","","1.089","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335078","12.821","0.003","13.172","0.003","19.174","0.004","81.22","0.03","88.22","0.03","86.08","0.03","3191.9","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","{κ^2^ <i>C</i>, <i>N</i>-3-methyl-1-(pyrid-2-ylmethyl)- (2-phenyl-but-1-en-3-one-ylidene)-2,3-dihydro-imidazole-2-ylidene}- (2-phenyl-but-1-en-3-one-ylidene)-{κ^3^ <i>N</i>, <i>N</i>',<i>N</i>'' -<i>tris</i>(pirazolyl)borate}-ruthenium(II) <i>tetrakis</i>{3,5-<i>bis</i>(trifluoromethyl)phenyl}borate 0.43 dichloromethane solvate","","- C61.43 H42.86 B2 Cl0.86 F24 N9 O Ru -","- C61.43 H42.86 B2 Cl0.86 F24 N9 O Ru -","- C122.86 H85.72 B4 Cl1.72 F48 N18 O2 Ru2 -","2","1","","Francys E. Fernández; María del Carmen Puerta; Pedro Valerga","Functionalized N-Heterocyclic Carbene Nonspectator Ligands upon Internal Alkyne Activation Reactions","Inorganic Chemistry","2013","52","","6502","6509","10.1021/ic400433z","","x-ray","0.71073","MoKα","","0.0553","0.05","","","0.1185","0.1227","","","","","","1.07","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335079","12.4091","0.0004","52.572","0.0015","13.7339","0.0004","90","","100.733","0.001","90","","8802.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium cis-[tetrachlorido-1H-indazole-nitrosyl-ruthenate]","","- C23 H42 Cl4 N4 O Ru -","- C23 H42 Cl3.99333 N3.99667 O0.996667 Ru -","- C276 H504 Cl47.92 N47.96 O11.96 Ru12 -","12","3","","Anatolie Gavriluta; Gabriel E. Büchel; Leon Freitag; Ghenadie Novitchi; Jean Bernard Tommasino; Erwann Jeanneau; Paul-Steffen Kuhn; Leticia González; Vladimir B. Arion; Dominique Luneau","Mechanism Elucidation of the cis-trans Isomerization of an Azole Ruthenium-Nitrosyl Complex and Its Osmium Counterpart","Inorganic Chemistry","2013","52","","6260","6272","10.1021/ic4004824","","","0.71073","MoKα","","0.0718","0.0546","","","0.1209","0.1293","","","","","","1.068","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335080","10.0975","0.0005","15.8422","0.0009","18.9705","0.001","90","","100.759","0.002","90","","2981.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium trans-[tetrachlorido-1H-indazole-nitrosyl-ruthenate]","","- C23 H42 Cl4 N4 O Ru -","- C23 H42 Cl4 N4 O Ru -","- C92 H168 Cl16 N16 O4 Ru4 -","4","1","","Anatolie Gavriluta; Gabriel E. Büchel; Leon Freitag; Ghenadie Novitchi; Jean Bernard Tommasino; Erwann Jeanneau; Paul-Steffen Kuhn; Leticia González; Vladimir B. Arion; Dominique Luneau","Mechanism Elucidation of the cis-trans Isomerization of an Azole Ruthenium-Nitrosyl Complex and Its Osmium Counterpart","Inorganic Chemistry","2013","52","","6260","6272","10.1021/ic4004824","","","0.71073","MoKα","","0.0592","0.031","","","0.0553","0.0641","","","","","","1.025","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335081","12.35414","0.00012","52.4121","0.0004","13.87637","0.00013","90","","100.757","0.0009","90","","8827.15","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Tetrabutylammonium cis-[tetrachlorido-1H-indazole-nitrosyl-osmate]","","- C23 H42 Cl4 N4 O Os -","- C23 H42 Cl4 N4 O Os -","- C276 H504 Cl48 N48 O12 Os12 -","12","3","","Anatolie Gavriluta; Gabriel E. Büchel; Leon Freitag; Ghenadie Novitchi; Jean Bernard Tommasino; Erwann Jeanneau; Paul-Steffen Kuhn; Leticia González; Vladimir B. Arion; Dominique Luneau","Mechanism Elucidation of the cis-trans Isomerization of an Azole Ruthenium-Nitrosyl Complex and Its Osmium Counterpart","Inorganic Chemistry","2013","52","","6260","6272","10.1021/ic4004824","","","1.54184","CuKα","","0.0339","0.0316","","","0.0846","0.086","","","","","","1.042","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335082","10.0836","0.0007","15.853","0.001","18.974","0.001","90","","101.298","0.007","90","","2974.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium trans-[tetrachlorido-1H-indazole-nitrosyl-osmate]","","- C23 H42 Cl4 N4 O Os -","- C23 H42 Cl4 N4 O Os -","- C92 H168 Cl16 N16 O4 Os4 -","4","1","","Anatolie Gavriluta; Gabriel E. Büchel; Leon Freitag; Ghenadie Novitchi; Jean Bernard Tommasino; Erwann Jeanneau; Paul-Steffen Kuhn; Leticia González; Vladimir B. Arion; Dominique Luneau","Mechanism Elucidation of the cis-trans Isomerization of an Azole Ruthenium-Nitrosyl Complex and Its Osmium Counterpart","Inorganic Chemistry","2013","52","","6260","6272","10.1021/ic4004824","","","0.7107","MoKα","","0.0304","0.0262","","","0.0663","0.0697","","","","","","1.033","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335083","5.5347","0.0008","5.5347","0.0008","8.0248","0.0016","90","","90","","120","","212.89","0.06","293","2","293","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- Ag2 S6 Te V3 -","- Ag2 S6 Te V3 -","- Ag2 S6 Te V3 -","1","0.0833333","","Sandy L. Nguyen; Christos D. Malliakas; Melanie C. Francisco; Mercouri G. Kanatzidis","Lattice-Matched Transition Metal Disulfide Intergrowths: The Metallic Conductors Ag2Te(MS2)3 (M = V, Nb)","Inorganic Chemistry","2013","52","","6520","6532","10.1021/ic400483d","","","0.71073","MoKα","","0.0479","0.0478","","","0.0836","0.0836","","","","","","1.136","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335084","8.8215","0.0018","9.903","0.002","5.719","0.0011","90","","90","","90","","499.61","0.17","100","2","100","2","","","","","","","","4","A m m 2","A 2 -2","38","","","","- Ag2 Nb3 S6 Te -","- Ag2 Nb3 S6 Te -","- Ag4 Nb6 S12 Te2 -","2","0.25","","Sandy L. Nguyen; Christos D. Malliakas; Melanie C. Francisco; Mercouri G. Kanatzidis","Lattice-Matched Transition Metal Disulfide Intergrowths: The Metallic Conductors Ag2Te(MS2)3 (M = V, Nb)","Inorganic Chemistry","2013","52","","6520","6532","10.1021/ic400483d","","x-ray","0.71073","MoKα","","0.0457","0.0433","","","0.125","0.1261","","","","","","1.161","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335085","5.7195","0.0008","5.7195","0.0008","8.223","0.0016","90","","90","","120","","232.96","0.06","100","2","100","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- Ag2 Nb3 S6 Te -","- Ag1.98 Nb3 S6 Te -","- Ag1.98 Nb3 S6 Te -","1","0.0833333","","Sandy L. Nguyen; Christos D. Malliakas; Melanie C. Francisco; Mercouri G. Kanatzidis","Lattice-Matched Transition Metal Disulfide Intergrowths: The Metallic Conductors Ag2Te(MS2)3 (M = V, Nb)","Inorganic Chemistry","2013","52","","6520","6532","10.1021/ic400483d","","","0.71073","MoKα","","0.0323","0.0316","","","0.0868","0.0876","","","","","","1.205","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335086","13.3063","0.0005","14.7998","0.0005","25.4223","0.0008","92.271","0.003","91.468","0.003","93.049","0.003","4993.5","0.3","150","2","150","2","","","","","","","synthesis","9","P -1","-P 1","2","","","","- C52 H104 Ag4 F24 N16 O16 P8 S4 Sb4 -","- C52 H104 Ag4 F24 N16 O16 P8 S4 Sb4 -","- C104 H208 Ag8 F48 N32 O32 P16 S8 Sb8 -","2","1","","Joaquín García-Álvarez; Josefina Díez; Cristian Vidal; Cristian Vicent","New Ag(I)-Iminophosphorane Coordination Polymers as Efficient Catalysts Precursors for the MW-Assisted Meyer-Schuster Rearrangement of Propargylic Alcohols in Water","Inorganic Chemistry","2013","52","","6533","6542","10.1021/ic400511d","","","1.54184","CuKα","","0.1104","0.0705","","","0.1775","0.2031","","","","","","1.018","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335087","10.6584","0.0003","10.8702","0.0002","10.9832","0.0003","84.351","0.002","88.716","0.001","76.482","0.001","1231.24","0.05","150","2","150","2","","","","","","","synthesis","9","P -1","-P 1","2","","","","- C18 H22 Ag F6 N4 O2 P2 S Sb -","- C18 H22 Ag F6 N4 O2 P2 S Sb -","- C36 H44 Ag2 F12 N8 O4 P4 S2 Sb2 -","2","1","","Joaquín García-Álvarez; Josefina Díez; Cristian Vidal; Cristian Vicent","New Ag(I)-Iminophosphorane Coordination Polymers as Efficient Catalysts Precursors for the MW-Assisted Meyer-Schuster Rearrangement of Propargylic Alcohols in Water","Inorganic Chemistry","2013","52","","6533","6542","10.1021/ic400511d","","","0.71073","MoKα","","0.0421","0.03","","","0.0918","0.1272","","","","","","1.149","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335088","8.688","0.005","10.553","0.005","10.917","0.006","74.207","0.016","87.89","0.02","73.922","0.015","924.7","0.9","293.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H9 Cu0.5 N O4 Re S5 -","- C15 H9 Cu0.5 N O4 Re S5 -","- C30 H18 Cu N2 O8 Re2 S10 -","2","1","","Sayo Yokota; Keijiro Tsujimoto; Sadayoshi Hayashi; Fabrice Pointillart; Lahcène Ouahab; Hideki Fujiwara","CuII and CuI Coordination Complexes Involving Two Tetrathiafulvalene-1,3-benzothiazole Hybrid Ligands and Their Radical Cation Salts","Inorganic Chemistry","2013","52","","6543","6550","10.1021/ic4005246","","","0.7107","MoKα","","","0.0655","","","","0.0678","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335089","9.347","0.004","18.49","0.008","14.046","0.006","90","","102.817","0.008","90","","2367","1.8","293.1","","","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C20 H10 Cu0.5 F6 N O2 S5 -","- C20 H10 Cu0.5 F6 N O2 S5 -","- C80 H40 Cu2 F24 N4 O8 S20 -","4","1","","Sayo Yokota; Keijiro Tsujimoto; Sadayoshi Hayashi; Fabrice Pointillart; Lahcène Ouahab; Hideki Fujiwara","CuII and CuI Coordination Complexes Involving Two Tetrathiafulvalene-1,3-benzothiazole Hybrid Ligands and Their Radical Cation Salts","Inorganic Chemistry","2013","52","","6543","6550","10.1021/ic4005246","","","0.7107","MoKα","","","0.0578","","","","0.0398","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335090","9.7572","0.001","11.2053","0.0011","14.0561","0.0014","65.509","0.002","78.065","0.003","78.086","0.003","1355.7","0.2","293.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C20 H10 As Cu0.5 F12 N O2 S5 -","- C20 H10 As Cu0.5 F12 N O2 S5 -","- C40 H20 As2 Cu F24 N2 O4 S10 -","2","1","","Sayo Yokota; Keijiro Tsujimoto; Sadayoshi Hayashi; Fabrice Pointillart; Lahcène Ouahab; Hideki Fujiwara","CuII and CuI Coordination Complexes Involving Two Tetrathiafulvalene-1,3-benzothiazole Hybrid Ligands and Their Radical Cation Salts","Inorganic Chemistry","2013","52","","6543","6550","10.1021/ic4005246","","","0.71075","MoKα","","","0.0533","","","","0.1284","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335091","37.0279","0.0007","12.3515","0.0003","24.2391","0.0005","90","","92.2844","0.0019","90","","11076.9","0.4","104.3","","104.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H79 Mo6 N3 O20 -","- C40 H79 Mo6 N3 O20 -","- C320 H632 Mo48 N24 O160 -","8","2","","Guohui Sima; Qiang Li; Yi Zhu; Chunlin Lv; Rao Naumaan Nasim Khan; Jian Hao; Jin Zhang; Yongge Wei","Organoimido-Derivatized Hexamolybdates with a Remote Carboxyl Group: Syntheses and Structural Characterizations","Inorganic Chemistry","2013","52","","6551","6558","10.1021/ic4005278","","","0.71073","MoKα","","0.0614","0.0538","","","0.1746","0.1796","","","","","","1.331","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335092","19.9827","0.0006","24.1195","0.001","23.8593","0.0007","90","","90","","90","","11499.5","0.7","102.2","","102.2","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C42 H83.5 Mo6 N3.5 O20.5 -","- C41.804 H83.01 Mo6 N3.5 O20.451 -","- C334.432 H664.08 Mo48 N28 O163.608 -","8","1","","Guohui Sima; Qiang Li; Yi Zhu; Chunlin Lv; Rao Naumaan Nasim Khan; Jian Hao; Jin Zhang; Yongge Wei","Organoimido-Derivatized Hexamolybdates with a Remote Carboxyl Group: Syntheses and Structural Characterizations","Inorganic Chemistry","2013","52","","6551","6558","10.1021/ic4005278","","","0.71073","MoKα","","0.0749","0.0481","","","0.138","0.1589","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335093","41.278","0.003","12.2444","0.0008","24.4842","0.0014","90","","115.901","0.007","90","","11131.9","1.4","100.1","","100.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H79 Mo6 N3 O20 -","- C40.064 H79.256 Mo6 N3 O20 -","- C320.512 H634.048 Mo48 N24 O160 -","8","1","","Guohui Sima; Qiang Li; Yi Zhu; Chunlin Lv; Rao Naumaan Nasim Khan; Jian Hao; Jin Zhang; Yongge Wei","Organoimido-Derivatized Hexamolybdates with a Remote Carboxyl Group: Syntheses and Structural Characterizations","Inorganic Chemistry","2013","52","","6551","6558","10.1021/ic4005278","","","0.71073","MoKα","","0.0767","0.053","","","0.1537","0.1733","","","","","","1.118","","","","has coordinates,has disorder","179453","2020-10-21","18:00:00",""
"4335094","12.6439","0.0003","20.7751","0.0004","20.4235","0.0004","90","","94.375","0.002","90","","5349.18","0.19","102.7","","102.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H79 Mo6 N3 O20 -","- C40 H79 Mo6 N3 O20 -","- C160 H316 Mo24 N12 O80 -","4","1","","Guohui Sima; Qiang Li; Yi Zhu; Chunlin Lv; Rao Naumaan Nasim Khan; Jian Hao; Jin Zhang; Yongge Wei","Organoimido-Derivatized Hexamolybdates with a Remote Carboxyl Group: Syntheses and Structural Characterizations","Inorganic Chemistry","2013","52","","6551","6558","10.1021/ic4005278","","","0.71073","MoKα","","0.053","0.0434","","","0.0832","0.0865","","","","","","1.182","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335095","7.249","0.0007","11.4371","0.0013","14.1067","0.0018","68.991","0.005","89.138","0.005","88.127","0.004","1091.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Indazolium trans-(tetrachlorido-1-H-indazole-nitrosyl-ruthenate(III)) chloroform solvate","","- C15 H14 Cl7 N5 O Ru -","- C15 H14 Cl7 N5 O Ru -","- C30 H28 Cl14 N10 O2 Ru2 -","2","1","","Gabriel E. Büchel; Anatolie Gavriluta; Maria Nowak; Samuel M. Meier; Michael A. Jakupec; Olesea Cuzan; Constantin Turta; Jean-Bernard Tommasino; Erwann Jeanneau; Ghenadie Novitchi; Dominique Luneau; Vladimir B. Arion","Striking Difference in Antiproliferative Activity of Ruthenium- and Osmium-Nitrosyl Complexes with Azole Heterocycles","Inorganic Chemistry","2013","52","","6273","6285","10.1021/ic400555k","","","0.71073","MoKα","","0.0536","0.0338","","","0.0717","0.0778","","","","","","1.023","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335096","16.9831","0.0005","17.8121","0.0004","19.7349","0.0006","90","","111.041","0.003","90","","5571.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrabutylammonium trans-tetrachlorido-nitrosyl-1H-pyrazole-osmate(III)","","- C19 H40 Cl4 N4 O Os -","- C19 H40 Cl4 N4 O Os -","- C152 H320 Cl32 N32 O8 Os8 -","8","1","","Gabriel E. Büchel; Anatolie Gavriluta; Maria Nowak; Samuel M. Meier; Michael A. Jakupec; Olesea Cuzan; Constantin Turta; Jean-Bernard Tommasino; Erwann Jeanneau; Ghenadie Novitchi; Dominique Luneau; Vladimir B. Arion","Striking Difference in Antiproliferative Activity of Ruthenium- and Osmium-Nitrosyl Complexes with Azole Heterocycles","Inorganic Chemistry","2013","52","","6273","6285","10.1021/ic400555k","","","0.71069","MoKα","","0.0317","0.0242","","","0.0578","0.0614","","","","","","1.004","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335097","10.37","0.001","19.654","0.002","14.216","0.001","90","","108.02","0.01","90","","2755.3","0.5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium cis-tetrachlorido-1H-imidazole-nitrosyl-osmate(III)","","- C19 H40 Cl4 N4 O Os -","- C19 H40 Cl4 N4 O Os -","- C76 H160 Cl16 N16 O4 Os4 -","4","1","","Gabriel E. Büchel; Anatolie Gavriluta; Maria Nowak; Samuel M. Meier; Michael A. Jakupec; Olesea Cuzan; Constantin Turta; Jean-Bernard Tommasino; Erwann Jeanneau; Ghenadie Novitchi; Dominique Luneau; Vladimir B. Arion","Striking Difference in Antiproliferative Activity of Ruthenium- and Osmium-Nitrosyl Complexes with Azole Heterocycles","Inorganic Chemistry","2013","52","","6273","6285","10.1021/ic400555k","","","0.71069","MoKα","","0.0611","0.0533","","","0.1419","0.1482","","","","","","1.031","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335098","11.452","0.001","13.445","0.001","17.167","0.002","90","","92.778","0.009","90","","2640.1","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetrabutylammonium cis-tetrachlorido-nitrosyl-1H-pyrazole-osmate(III)","","- C19 H40 Cl4 N4 O Os -","- C19 H40 Cl4 N4 O Os -","- C76 H160 Cl16 N16 O4 Os4 -","4","1","","Gabriel E. Büchel; Anatolie Gavriluta; Maria Nowak; Samuel M. Meier; Michael A. Jakupec; Olesea Cuzan; Constantin Turta; Jean-Bernard Tommasino; Erwann Jeanneau; Ghenadie Novitchi; Dominique Luneau; Vladimir B. Arion","Striking Difference in Antiproliferative Activity of Ruthenium- and Osmium-Nitrosyl Complexes with Azole Heterocycles","Inorganic Chemistry","2013","52","","6273","6285","10.1021/ic400555k","","","0.71069","MoKα","","0.0351","0.0306","","","0.0704","0.0736","","","","","","1.087","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335099","7.2264","0.0002","11.2833","0.0004","17.5497","0.0006","77.815","0.002","87.994","0.002","77.155","0.002","1363.61","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Pyrazolium trans-(tetrachlorido-nitrosyl-1H-pyrazole-ruthenate(III))]","","- C6 H9 Cl4 N5 O Ru -","- C6 H9 Cl4 N5 O Ru -","- C24 H36 Cl16 N20 O4 Ru4 -","4","2","","Gabriel E. Büchel; Anatolie Gavriluta; Maria Nowak; Samuel M. Meier; Michael A. Jakupec; Olesea Cuzan; Constantin Turta; Jean-Bernard Tommasino; Erwann Jeanneau; Ghenadie Novitchi; Dominique Luneau; Vladimir B. Arion","Striking Difference in Antiproliferative Activity of Ruthenium- and Osmium-Nitrosyl Complexes with Azole Heterocycles","Inorganic Chemistry","2013","52","","6273","6285","10.1021/ic400555k","","","0.71073","MoKα","","0.058","0.0348","","","0.057","0.0635","","","","","","1.012","","","","has coordinates","179453","2020-10-21","18:00:00",""
"4335100","7.0814","0.0004","15.7409","0.0008","16.9995","0.0009","90","","90","","90","","1894.89","0.18","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Benzimidazolium cis-tetrachlorido-benzimidazole-nitrosyl-ruthenate(III)","","- C14 H13 Cl4 N5 O Ru -","- C14 H13 Cl4 N5 O Ru -","- C56 H52 Cl16 N20 O4 Ru4 -","4","1","","Gabriel E. Büchel; Anatolie Gavriluta; Maria Nowak; Samuel M. Meier; Michael A. Jakupec; Olesea Cuzan; Constantin Turta; Jean-Bernard Tommasino; Erwann Jeanneau; Ghenadie Novitchi; Dominique Luneau; Vladimir B. Arion","Striking Difference in Antiproliferative Activity of Ruthenium- and Osmium-Nitrosyl Complexes with Azole Heterocycles","Inorganic Chemistry","2013","52","","6273","6285","10.1021/ic400555k","","","0.71073","MoKα","","0.0423","0.0363","","","0.0866","0.0897","","","","","","1.018","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335101","10.4202","0.0008","10.8557","0.0009","11.2737","0.0009","108.729","0.005","101.077","0.004","103.425","0.004","1124.43","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Indazolium cis-tetrachlorido-1H-indazole-nitrosyl-ruthenate(III)] chloroform solvate","","- C15 H14 Cl7 N5 O Ru -","- C15 H14 Cl7 N5 O Ru -","- C30 H28 Cl14 N10 O2 Ru2 -","2","1","","Gabriel E. Büchel; Anatolie Gavriluta; Maria Nowak; Samuel M. Meier; Michael A. Jakupec; Olesea Cuzan; Constantin Turta; Jean-Bernard Tommasino; Erwann Jeanneau; Ghenadie Novitchi; Dominique Luneau; Vladimir B. Arion","Striking Difference in Antiproliferative Activity of Ruthenium- and Osmium-Nitrosyl Complexes with Azole Heterocycles","Inorganic Chemistry","2013","52","","6273","6285","10.1021/ic400555k","","","0.71073","MoKα","","0.0277","0.0224","","","0.05","0.0528","","","","","","1.094","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335102","9.6928","0.0001","11.588","0.0002","27.7355","0.0006","90","","91.893","0.002","90","","3113.56","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.6 H33.6 Co N7 O7.7 -","- C30.6 H33.6 Co N7 O7.7 -","- C122.4 H134.4 Co4 N28 O30.8 -","4","1","","V. Tangoulis; M. Lalia-Kantouri; M. Gdaniec; Ch. Papadopoulos; V. Miletic; A. Czapik","New Type of Single Chain Magnet: Pseudo-One-Dimensional Chain of High-Spin Co(II) Exhibiting Ferromagnetic Intrachain Interactions","Inorganic Chemistry","2013","52","","6559","6569","10.1021/ic400557f","","","1.54184","CuKα","","0.0464","0.0419","","","0.1162","0.1196","","","","","","1.049","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335103","10.299","0.0006","11.3482","0.0007","12.5241","0.0007","106.519","0.005","107.472","0.005","91.459","0.005","1328.73","0.15","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Co N8 O7 -","- C27 H22 Co N8 O7 -","- C54 H44 Co2 N16 O14 -","2","1","","V. Tangoulis; M. Lalia-Kantouri; M. Gdaniec; Ch. Papadopoulos; V. Miletic; A. Czapik","New Type of Single Chain Magnet: Pseudo-One-Dimensional Chain of High-Spin Co(II) Exhibiting Ferromagnetic Intrachain Interactions","Inorganic Chemistry","2013","52","","6559","6569","10.1021/ic400557f","","","0.71073","MoKα","","0.0531","0.0415","","","0.0894","0.0943","","","","","","1.031","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335104","12.3102","0.0009","18.5529","0.0009","20.8163","0.0018","90","","106.032","0.01","90","","4569.3","0.6","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H57 Mo N2 P5 -","- C40 H57 Mo N2 P5 -","- C160 H228 Mo4 N8 P20 -","4","1","","Ludger Söncksen; Christian Gradert; Jan Krahmer; Christian Näther; Felix Tuczek","Bonding and Activation of N2 in Mo(0) Complexes Supported by Hybrid Tripod Ligands with Mixed Dialkylphosphine/Diarylphosphine Donor Groups: Interplay of Steric and Electronic Factors","Inorganic Chemistry","2013","52","","6576","6589","10.1021/ic400582v","","","0.71073","MoKα","","0.0404","0.0332","","","0.0813","0.0837","","","","","","1.045","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335105","12.3476","0.0007","25.323","0.0019","18.3494","0.0012","90","","95.107","0.007","90","","5714.7","0.7","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H65 Mo P5 -","- C60 H65 Mo P5 -","- C240 H260 Mo4 P20 -","4","1","","Ludger Söncksen; Christian Gradert; Jan Krahmer; Christian Näther; Felix Tuczek","Bonding and Activation of N2 in Mo(0) Complexes Supported by Hybrid Tripod Ligands with Mixed Dialkylphosphine/Diarylphosphine Donor Groups: Interplay of Steric and Electronic Factors","Inorganic Chemistry","2013","52","","6576","6589","10.1021/ic400582v","","","0.71073","MoKα","","0.0916","0.0819","","","0.1801","0.1838","","","","","","1.252","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335106","4.6767","0.0008","9.6459","0.0016","14.17","0.002","90","","90","","90","","639.22","0.18","273","2","273","2","","","","","","","","3","I m m m","-I 2 2","71","","","","- Au8 Sn3 Sr3 -","- Au8.004 Sn2.996 Sr3 -","- Au16.008 Sn5.992 Sr6 -","2","0.125","","Qisheng Lin; Jordan Vetter; John D. Corbett","Disorder-Order Structural Transformation in Electron-Poor Sr3Au8Sn3 Driven by Chemical Bonding Optimization","Inorganic Chemistry","2013","52","","6603","6609","10.1021/ic400626x","","","0.71073","MoKα","","0.0434","0.0347","","","0.0783","0.0831","","","","","","1.081","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335107","9.6082","0.0008","14.1709","0.0011","4.6719","0.0004","90","","90","","90","","636.11","0.09","273","2","273","2","","","","","","","","3","P n n m","-P 2 2n","58","","","","- Au8 Sn3 Sr3 -","- Au8 Sn3 Sr3 -","- Au16 Sn6 Sr6 -","2","0.25","","Qisheng Lin; Jordan Vetter; John D. Corbett","Disorder-Order Structural Transformation in Electron-Poor Sr3Au8Sn3 Driven by Chemical Bonding Optimization","Inorganic Chemistry","2013","52","","6603","6609","10.1021/ic400626x","","","0.71073","MoKα","","0.0389","0.0361","","","0.0872","0.0891","","","","","","1.096","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335108","10.0553","0.0006","23.8161","0.0014","14.3948","0.0009","90","","103.025","0.001","90","","3358.5","0.4","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H54 Mn5 O65 Sb6 V4 -","- C24 H12 Mn5 O65 Sb6 V4 -","- C48 H24 Mn10 O130 Sb12 V8 -","2","1","","Qiang Gao; Xiqu Wang; Joshua Tapp; Angela Moeller; Allan J. Jacobson","Antimony Tartrate Transition-Metal-Oxo Chiral Clusters","Inorganic Chemistry","2013","52","","6610","6616","10.1021/ic4006345","","","0.71073","MoKα","","0.0717","0.0463","","","0.0665","0.072","","","","","","0.964","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335109","13.3451","0.0002","13.3451","0.0002","23.8732","0.0006","90","","90","","120","","3682.01","0.12","296","2","296","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C24 H51 Cr Ni3 O66 Sb12 -","- C24 H12 Cr Ni3 O66 Sb12 -","- C48 H24 Cr2 Ni6 O132 Sb24 -","2","0.166667","","Qiang Gao; Xiqu Wang; Joshua Tapp; Angela Moeller; Allan J. Jacobson","Antimony Tartrate Transition-Metal-Oxo Chiral Clusters","Inorganic Chemistry","2013","52","","6610","6616","10.1021/ic4006345","","","0.71073","MoKα","","0.0201","0.0192","","","0.0556","0.0559","","","","","","1.097","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335110","9.7788","0.0004","15.2048","0.0006","21.1848","0.0008","90","","90","","90","","3149.9","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 Br2 N4 Ni2 S2 -","- C32 H30 Br2 N4 Ni2 S2 -","- C128 H120 Br8 N16 Ni8 S8 -","4","1","","Dan Yuan; Han Vinh Huynh","A Comparative Study on Dinuclear and Multinuclear Ni(II), Pd(II), and Pt(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand","Inorganic Chemistry","2013","52","","6627","6634","10.1021/ic400672z","","","0.71073","MoKα","","0.0828","0.0508","","","0.1051","0.1156","","","","","","0.989","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335111","13.0288","0.0007","7.8627","0.0005","21.6471","0.0012","90","","107.221","0.001","90","","2118.1","0.2","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Br4 N4 O2 Pt2 S4 -","- C36 H44 Br4 N4 O2 Pt2 S4 -","- C72 H88 Br8 N8 O4 Pt4 S8 -","2","0.5","","Dan Yuan; Han Vinh Huynh","A Comparative Study on Dinuclear and Multinuclear Ni(II), Pd(II), and Pt(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand","Inorganic Chemistry","2013","52","","6627","6634","10.1021/ic400672z","","","0.71073","MoKα","","0.0483","0.0389","","","0.0947","0.0991","","","","","","1.043","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335112","18.1205","0.0009","49.575","0.003","15.1791","0.0008","90","","90","","90","","13635.7","1.3","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C33 H32 Br2 Cl2 N4 Pt2 S2 -","- C33 H32 Br2 Cl2 N4 Pt2 S2 -","- C528 H512 Br32 Cl32 N64 Pt32 S32 -","16","1","","Dan Yuan; Han Vinh Huynh","A Comparative Study on Dinuclear and Multinuclear Ni(II), Pd(II), and Pt(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand","Inorganic Chemistry","2013","52","","6627","6634","10.1021/ic400672z","","","0.71073","MoKα","","0.0321","0.0295","","","0.0726","0.0737","","","","","","1.03","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335113","13.6577","0.0012","13.6577","0.0012","45.745","0.004","90","","90","","120","","7389.7","1.1","100","2","100","2","","","","","","","","9","R 3 c :H","R 3 -2""c","161","","","","- C49 H47 B Cl2 F4 N6 Ni3 O S3 -","- C48.99 H46.98 B Cl1.98 F3.34 N6 Ni3 O S3 -","- C293.94 H281.88 B6 Cl11.88 F20.04 N36 Ni18 O6 S18 -","6","0.333333","","Dan Yuan; Han Vinh Huynh","A Comparative Study on Dinuclear and Multinuclear Ni(II), Pd(II), and Pt(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand","Inorganic Chemistry","2013","52","","6627","6634","10.1021/ic400672z","","","0.71073","MoKα","","0.0521","0.0486","","","0.1235","0.1261","","","","","","1.121","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335114","11.66","0.002","22.327","0.004","7.1416","0.0012","90","","104.545","0.003","90","","1799.6","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Cl2 N5 P Pt0.5 S -","- C13 H21 Cl2 N5 P Pt0.5 S -","- C52 H84 Cl8 N20 P4 Pt2 S4 -","4","1","","Elena Guerrero; Susana Miranda; Sebastian Lüttenberg; Nils Fröhlich; Jan-Moritz Koenen; Fabian Mohr; Elena Cerrada; Mariano Laguna; Aránzazu Mendía","trans-Thionate Derivatives of Pt(II) and Pd(II) with Water-Soluble Phosphane PTA and DAPTA Ligands: Antiproliferative Activity against Human Ovarian Cancer Cell Lines","Inorganic Chemistry","2013","52","","6635","6647","10.1021/ic4006746","","","0.71073","MoKα","","0.0519","0.0411","","","0.1005","0.1283","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335115","12.0822","0.0011","12.721","0.0012","12.1166","0.0011","90","","96.966","0.001","90","","1848.5","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 Cl3 N5 P Pd0.5 S -","- C13 H20 Cl3 N5 P Pd0.5 S -","- C52 H80 Cl12 N20 P4 Pd2 S4 -","4","1","","Elena Guerrero; Susana Miranda; Sebastian Lüttenberg; Nils Fröhlich; Jan-Moritz Koenen; Fabian Mohr; Elena Cerrada; Mariano Laguna; Aránzazu Mendía","trans-Thionate Derivatives of Pt(II) and Pd(II) with Water-Soluble Phosphane PTA and DAPTA Ligands: Antiproliferative Activity against Human Ovarian Cancer Cell Lines","Inorganic Chemistry","2013","52","","6635","6647","10.1021/ic4006746","","","0.71073","MoKα","","0.048","0.0413","","","0.0962","0.1116","","","","","","1.108","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335116","11.6525","0.0017","22.312","0.003","7.1349","0.001","90","","104.499","0.002","90","","1795.9","0.4","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Cl2 N5 O2 P Pt0.5 S -","- C11 H17 Cl2 N5 O2 P Pt0.5 S -","- C44 H68 Cl8 N20 O8 P4 Pt2 S4 -","4","1","","Elena Guerrero; Susana Miranda; Sebastian Lüttenberg; Nils Fröhlich; Jan-Moritz Koenen; Fabian Mohr; Elena Cerrada; Mariano Laguna; Aránzazu Mendía","trans-Thionate Derivatives of Pt(II) and Pd(II) with Water-Soluble Phosphane PTA and DAPTA Ligands: Antiproliferative Activity against Human Ovarian Cancer Cell Lines","Inorganic Chemistry","2013","52","","6635","6647","10.1021/ic4006746","","","0.71073","MoKα","","0.049","0.0425","","","0.0966","0.0999","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335117","6.366","0.0015","10.743","0.003","14.321","0.003","99.225","0.004","93.093","0.004","98.438","0.004","953.3","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H34 Cl6 N8 P2 Pt S4 -","- C28 H34 Cl6 N8 P2 Pt S4 -","- C28 H34 Cl6 N8 P2 Pt S4 -","1","0.5","","Elena Guerrero; Susana Miranda; Sebastian Lüttenberg; Nils Fröhlich; Jan-Moritz Koenen; Fabian Mohr; Elena Cerrada; Mariano Laguna; Aránzazu Mendía","trans-Thionate Derivatives of Pt(II) and Pd(II) with Water-Soluble Phosphane PTA and DAPTA Ligands: Antiproliferative Activity against Human Ovarian Cancer Cell Lines","Inorganic Chemistry","2013","52","","6635","6647","10.1021/ic4006746","","","0.71073","MoKα","","0.0664","0.0562","","","0.1337","0.1445","","","","","","0.99","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335118","15.3834","0.0016","9.594","0.001","13.0386","0.0013","90","","93.082","0.002","90","","1921.6","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl3 N4 O P Pt0.5 S -","- C14 H17 Cl3 N4 O P Pt0.5 S -","- C56 H68 Cl12 N16 O4 P4 Pt2 S4 -","4","1","","Elena Guerrero; Susana Miranda; Sebastian Lüttenberg; Nils Fröhlich; Jan-Moritz Koenen; Fabian Mohr; Elena Cerrada; Mariano Laguna; Aránzazu Mendía","trans-Thionate Derivatives of Pt(II) and Pd(II) with Water-Soluble Phosphane PTA and DAPTA Ligands: Antiproliferative Activity against Human Ovarian Cancer Cell Lines","Inorganic Chemistry","2013","52","","6635","6647","10.1021/ic4006746","","","0.71073","MoKα","","0.0762","0.0733","","","0.1744","0.1761","","","","","","1.105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335119","15.3325","0.0013","9.6087","0.0008","12.992","0.0011","90","","93.638","0.001","90","","1910.2","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl3 N4 O P Pd0.5 S -","- C14 H17 Cl3 N4 O P Pd0.5 S -","- C56 H68 Cl12 N16 O4 P4 Pd2 S4 -","4","1","","Elena Guerrero; Susana Miranda; Sebastian Lüttenberg; Nils Fröhlich; Jan-Moritz Koenen; Fabian Mohr; Elena Cerrada; Mariano Laguna; Aránzazu Mendía","trans-Thionate Derivatives of Pt(II) and Pd(II) with Water-Soluble Phosphane PTA and DAPTA Ligands: Antiproliferative Activity against Human Ovarian Cancer Cell Lines","Inorganic Chemistry","2013","52","","6635","6647","10.1021/ic4006746","","","0.71073","MoKα","","0.0819","0.08","","","0.2031","0.206","","","","","","1.129","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335120","20.372","0.007","8.508","0.003","23.688","0.008","90","","110.475","0.005","90","","3846","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C11 H16 Cl4 N5 O P Pd S -","- C11 H16 Cl4 N5 O P Pd S -","- C88 H128 Cl32 N40 O8 P8 Pd8 S8 -","8","1","","Elena Guerrero; Susana Miranda; Sebastian Lüttenberg; Nils Fröhlich; Jan-Moritz Koenen; Fabian Mohr; Elena Cerrada; Mariano Laguna; Aránzazu Mendía","trans-Thionate Derivatives of Pt(II) and Pd(II) with Water-Soluble Phosphane PTA and DAPTA Ligands: Antiproliferative Activity against Human Ovarian Cancer Cell Lines","Inorganic Chemistry","2013","52","","6635","6647","10.1021/ic4006746","","","0.71073","MoKα","","0.1035","0.075","","","0.1526","0.1748","","","","","","1.041","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335121","6.2838","0.0005","12.6526","0.0009","29.1888","0.0019","89.575","0.002","88.03","0.002","87.423","0.002","2316.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","μ-Furan-2,5-diylbis(ethoxycarbene)-bis[pentacarbonylchromium(0)]","","- C20 H12 Cr2 O13 -","- C20 H12 Cr2 O13 -","- C80 H48 Cr8 O52 -","4","2","","Belinda van der Westhuizen; Pieter J. Swarts; Louise M. van Jaarsveld; David C. Liles; Uwe Siegert; Jannie C. Swarts; Israel Fernández; Daniela I. Bezuidenhout","Substituent Effects on the Electrochemical, Spectroscopic, and Structural Properties of Fischer Mono- and Biscarbene Complexes of Chromium(0)","Inorganic Chemistry","2013","52","","6674","6684","10.1021/ic4007422","","","0.71073","MoKα","","0.0757","0.0478","","","0.0786","0.0858","","","","","","1.09","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4335122","13.3931","0.0015","13.0149","0.0016","7.8019","0.001","90","","90","","90","","1359.9","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B4 H2 O13 Pb6 -","- B4 O13 Pb6 -","- B16 O52 Pb24 -","4","0.5","","Han-Rui Tian; Wen-Hua Wang; Yan-E Gao; Ting-Ting Deng; Jia-Ying Wang; Yun-Long Feng; Jian-Wen Cheng","Facile Assembly of an Unusual Lead Borate with Different Cluster Building Units via a Hydrothermal Process","Inorganic Chemistry","2013","52","","6242","6244","10.1021/ic400752y","","","0.71073","MoKα","","0.0722","0.0679","","","0.1613","0.1657","","","","","","1.04","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335123","12.228","0.005","12.879","0.005","19.16","0.005","84.912","0.005","81.439","0.005","84.605","0.005","2962","1.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H49 B F24 Ir O P -","- C61 H49 B F24 Ir O P -","- C122 H98 B2 F48 Ir2 O2 P2 -","2","1","","Jesús Campos; María F. Espada; Joaquín López-Serrano; Ernesto Carmona","Cyclometalated Iridium Complexes of Bis(Aryl) Phosphine Ligands: Catalytic C-H/C-D Exchanges and C-C Coupling Reactions","Inorganic Chemistry","2013","52","","6694","6704","10.1021/ic400759r","","","0.71073","MoKα","","0.0733","0.0622","","","0.1573","0.1702","","","","","","1.115","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335124","24.5282","0.0015","12.9676","0.0007","15.733","0.0009","90","","90","","90","","5004.2","0.5","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C40 H81 B16 Rh5 -","- C40 H81 B16 Rh5 -","- C160 H324 B64 Rh20 -","4","0.5","","Dipak Kumar Roy; Bijan Mondal; Pritam Shankhari; R. S. Anju; K. Geetharani; Shaikh M. Mobin; Sundargopal Ghosh","Supraicosahedral Polyhedra in Metallaboranes: Synthesis and Structural Characterization of 12-, 15-, and 16-Vertex Rhodaboranes","Inorganic Chemistry","2013","52","","6705","6712","10.1021/ic400761z","","","0.71073","MoKα","","0.0543","0.035","","","0.0744","0.0827","","","","","","1.019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335125","12.0648","0.0002","16.269","0.0003","14.7494","0.0003","90","","100.717","0.002","90","","2844.55","0.09","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H43 B13 Rh2 -","- C20 H43 B13 Rh2 -","- C80 H172 B52 Rh8 -","4","1","","Dipak Kumar Roy; Bijan Mondal; Pritam Shankhari; R. S. Anju; K. Geetharani; Shaikh M. Mobin; Sundargopal Ghosh","Supraicosahedral Polyhedra in Metallaboranes: Synthesis and Structural Characterization of 12-, 15-, and 16-Vertex Rhodaboranes","Inorganic Chemistry","2013","52","","6705","6712","10.1021/ic400761z","","","0.71073","MoKα","","0.0394","0.0311","","","0.0733","0.0777","","","","","","1.03","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335126","33.3146","0.0015","10.6577","0.0004","16.7985","0.0007","90","","111.424","0.002","90","","5552.3","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H43 B10 Cl Rh2 -","- C20.5 H42 B10 Cl Rh2 -","- C164 H336 B80 Cl8 Rh16 -","8","1","","Dipak Kumar Roy; Bijan Mondal; Pritam Shankhari; R. S. Anju; K. Geetharani; Shaikh M. Mobin; Sundargopal Ghosh","Supraicosahedral Polyhedra in Metallaboranes: Synthesis and Structural Characterization of 12-, 15-, and 16-Vertex Rhodaboranes","Inorganic Chemistry","2013","52","","6705","6712","10.1021/ic400761z","","","0.71073","MoKα","","0.0865","0.0475","","","0.1036","0.1214","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335127","31.8095","0.0009","10.1945","0.0003","18.0622","0.0007","90","","116.816","0.002","90","","5227.4","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 B10 O Rh2 -","- C20 H39 B10 O Rh2 -","- C160 H312 B80 O8 Rh16 -","8","1","","Dipak Kumar Roy; Bijan Mondal; Pritam Shankhari; R. S. Anju; K. Geetharani; Shaikh M. Mobin; Sundargopal Ghosh","Supraicosahedral Polyhedra in Metallaboranes: Synthesis and Structural Characterization of 12-, 15-, and 16-Vertex Rhodaboranes","Inorganic Chemistry","2013","52","","6705","6712","10.1021/ic400761z","","","0.71073","MoKα","","0.0708","0.041","","","0.0724","0.082","","","","","","1.022","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335128","19.855","0.004","9.4556","0.0015","14.515","0.002","90","","90","","90","","2725.1","0.8","298","2","298","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C20 H40 B10 O2 Rh2 -","- C20 H40 B10 O2 Rh2 -","- C80 H160 B40 O8 Rh8 -","4","0.5","","Dipak Kumar Roy; Bijan Mondal; Pritam Shankhari; R. S. Anju; K. Geetharani; Shaikh M. Mobin; Sundargopal Ghosh","Supraicosahedral Polyhedra in Metallaboranes: Synthesis and Structural Characterization of 12-, 15-, and 16-Vertex Rhodaboranes","Inorganic Chemistry","2013","52","","6705","6712","10.1021/ic400761z","","","0.71073","MoKα","","0.1567","0.0809","","","0.1623","0.1961","","","","","","1.041","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335129","8.4703","0.0016","11.329","0.002","18.337","0.004","97.356","0.012","92.284","0.013","107.087","0.012","1662.5","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H52 B7 Rh3 -","- C30 H52 B7 Rh3 -","- C60 H104 B14 Rh6 -","2","1","","Dipak Kumar Roy; Bijan Mondal; Pritam Shankhari; R. S. Anju; K. Geetharani; Shaikh M. Mobin; Sundargopal Ghosh","Supraicosahedral Polyhedra in Metallaboranes: Synthesis and Structural Characterization of 12-, 15-, and 16-Vertex Rhodaboranes","Inorganic Chemistry","2013","52","","6705","6712","10.1021/ic400761z","","","0.71073","MoKα","","0.2948","0.0865","","","0.1541","0.223","","","","","","0.917","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335130","9.9008","0.0004","11.2362","0.0004","19.4008","0.0007","90.027","0.002","92.599","0.002","108.663","0.002","2042.44","0.13","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H66 B6 Rh4 -","- C40 H66 B6 Rh4 -","- C80 H132 B12 Rh8 -","2","1","","Dipak Kumar Roy; Bijan Mondal; Pritam Shankhari; R. S. Anju; K. Geetharani; Shaikh M. Mobin; Sundargopal Ghosh","Supraicosahedral Polyhedra in Metallaboranes: Synthesis and Structural Characterization of 12-, 15-, and 16-Vertex Rhodaboranes","Inorganic Chemistry","2013","52","","6705","6712","10.1021/ic400761z","","","0.71073","MoKα","","0.0442","0.0316","","","0.0795","0.0868","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335131","18.446","0.003","32.29","0.005","35.952","0.006","90","","90","","90","","21414","6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C120 As24 O99 U10 -","- C120 As24 O99 U10 -","- C480 As96 O396 U40 -","4","1","","Pius O. Adelani; Ginger E. Sigmon; Peter C. Burns","Hybrid Uranyl Arsonate Coordination Nanocages","Inorganic Chemistry","2013","52","","6245","6247","10.1021/ic400827h","","","0.71073","MoKα","","0.1062","0.0585","","","0.1446","0.1653","","","","","","1.162","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335132","31.365","0.003","30.63","0.003","28.328","0.003","90","","90","","90","","27215","5","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C180 As31 O121 U12 -","- C180 As31 O121 U12 -","- C720 As124 O484 U48 -","4","0.5","","Pius O. Adelani; Ginger E. Sigmon; Peter C. Burns","Hybrid Uranyl Arsonate Coordination Nanocages","Inorganic Chemistry","2013","52","","6245","6247","10.1021/ic400827h","","","0.71073","MoKα","","0.2843","0.1105","","","0.2845","0.3716","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335133","7.228","0.003","18.267","0.008","17.157","0.007","90","","90","","90","","2265.3","1.6","100","2","100","2","","","","","","","","4","C m m a","-C 2a 2","67","","","","- C12 As2 O15 U2 -","- C12 As2 O15 U2 -","- C48 As8 O60 U8 -","4","0.25","","Pius O. Adelani; Ginger E. Sigmon; Peter C. Burns","Hybrid Uranyl Arsonate Coordination Nanocages","Inorganic Chemistry","2013","52","","6245","6247","10.1021/ic400827h","","","0.71073","MoKα","","0.0501","0.045","","","0.1453","0.1555","","","","","","1.606","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335134","11.2026","0.0005","6.7162","0.0003","13.0527","0.0006","90","","107.457","0.002","90","","936.84","0.07","298","0.2","298","0.2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- In Na1.4 O9.4 Te3.6 -","- In Na1.44 O9.404 Te3.5595 -","- In4 Na5.76 O37.616 Te14.238 -","4","1","","Dong Woo Lee; Kang Min Ok","Na1.4InTe3.6O9.4: New Variant of a Hexagonal Tungsten Oxide (HTO)-Like Layered Framework Containing Both a Main-Group Cation, In3+, and a Lone-Pair Cation, Te4+","Inorganic Chemistry","2013","52","","6236","6238","10.1021/ic4009152","","","0.71073","MoKα","","0.039","0.0299","","","0.0675","0.0705","","","","","","1.064","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335135","10.673","0.0001","8.265","0.0001","13.5683","0.0002","90","","90","","90","","1196.89","0.03","298","0.2","298","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- In Na O6 Te2 -","- In Na O6 Te2 -","- In8 Na8 O48 Te16 -","8","1","","Dong Woo Lee; Kang Min Ok","Na1.4InTe3.6O9.4: New Variant of a Hexagonal Tungsten Oxide (HTO)-Like Layered Framework Containing Both a Main-Group Cation, In3+, and a Lone-Pair Cation, Te4+","Inorganic Chemistry","2013","52","","6236","6238","10.1021/ic4009152","","","0.71073","MoKα","","0.0325","0.0253","","","0.0533","0.0552","","","","","","0.939","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335136","15.7588","0.0016","8.8549","0.0009","17.5588","0.0018","90","","106.355","0.001","90","","2351.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(t-butylisocyanide)bis(2,3-but-2-enedithiolato)tungsten","","- C18 H30 N2 S4 W -","- C18 H30 N2 S4 W -","- C72 H120 N8 S16 W4 -","4","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.045","0.0302","","","0.0729","0.0839","","","","","","1.026","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335137","12.991","0.003","14.996","0.003","15.949","0.004","90","","98.188","0.003","90","","3075.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Carbonyl(2,5-bis(2,4,6-trimethylphenyl)cyclopent-3-en-1- ylidene)bis(but-2-ene-2,3-dithiolato)tungsten(IV)","","- C30 H36 N2 O S4 W -","- C30 H36 N2 O S4 W -","- C120 H144 N8 O4 S16 W4 -","4","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.0254","0.0212","","","0.0494","0.052","","","","","","1.035","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335138","9.4584","0.0007","16.915","0.001","16.942","0.001","90","","99.637","0.001","90","","2672.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(1,2-dimethylethane-1,2-dithiolato)carbonyl(tert- butyldiphenylphosphine)tungsten(IV)","","- C25 H31 O P S4 W -","- C25 H31 O P S4 W -","- C100 H124 O4 P4 S16 W4 -","4","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.0254","0.0211","","","0.0431","0.0448","","","","","","1.072","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335139","10.323","0.003","9.456","0.003","13.37","0.004","90","","110.902","0.004","90","","1219.2","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H25 O P S4 W -","- C22 H25 O P S4 W -","- C44 H50 O2 P2 S8 W2 -","2","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.017","0.0167","","","0.0413","0.0415","","","","","","0.807","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335140","9.878","0.003","10.203","0.003","14.082","0.004","79.445","0.004","81.466","0.004","78.219","0.003","1356.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 O P S4 W -","- C27 H27 O P S4 W -","- C54 H54 O2 P2 S8 W2 -","2","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.0258","0.0251","","","0.0653","0.0658","","","","","","1.06","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335141","27.292","0.006","9.699","0.002","17.754","0.004","90","","101.431","0.003","90","","4606.4","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Carbonyl(tris(dimethylamino)phosphine)bis(butan-2,3- dithiolato)tungsten(IV)","","- C15 H30 N3 O P S4 W -","- C15 H30 N3 O P S4 W -","- C120 H240 N24 O8 P8 S32 W8 -","8","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.031","0.025","","","0.0491","0.0517","","","","","","1.061","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335142","19.413","0.004","9.04","0.0017","15.947","0.003","90","","104.24","0.002","90","","2712.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(but-2-ene-2,3-dithiolato-κ^2^S,S')bis(phenyldi- methylphosphine)tungsten(IV)","","- C24 H34 P2 S4 W -","- C24 H34 P2 S4 W -","- C96 H136 P8 S16 W4 -","4","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.0386","0.026","","","0.0491","0.0533","","","","","","1.026","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335143","14.3288","0.0007","16.5017","0.0008","17.5022","0.0009","90","","99.255","0.001","90","","4084.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 P2 S4 W -","- C43 H45 P2 S4 W -","- C172 H180 P8 S16 W4 -","4","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.0462","0.0329","","","0.0712","0.0809","","","","","","1.071","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335144","9.431","0.003","13.622","0.005","15.748","0.006","99.509","0.005","92.373","0.005","109.995","0.005","1864.6","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tetraethylammonium dicyanobis(2,3-dithiolatobut-2-ene) tungstate(IV) acetonitrile solvate","","- C30 H58 N6 S4 W -","- C30 H58 N6 S4 W -","- C60 H116 N12 S8 W2 -","2","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.0577","0.0503","","","0.1316","0.1349","","","","","","1.048","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335145","9.516","0.004","15.328","0.006","16.853","0.007","90","","97.849","0.007","90","","2435.2","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 O2 P2 S2 W -","- C22 H28 O2 P2 S2 W -","- C88 H112 O8 P8 S8 W4 -","4","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.0196","0.0182","","","0.0436","0.0444","","","","","","1.041","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335146","14.6817","0.0007","11.286","0.0005","19.6091","0.0009","90","","107.8","0.001","90","","3093.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,2-Dimethylethene-1,2-dithiolato-κ^2^S,S'dicarbonyl bis(methyldiphenylphosphine)tungsten","","- C32 H32 O2 P2 S2 W -","- C32 H32 O2 P2 S2 W -","- C128 H128 O8 P8 S8 W4 -","4","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.0326","0.0282","","","0.0546","0.0561","","","","","","1.191","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335147","18.5335","0.0013","9.9638","0.001","21.866","0.003","90","","114.207","0.009","90","","3682.8","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H36 O2 P2 S2 W -","- C42 H36 O2 P2 S2 W -","- C168 H144 O8 P8 S8 W4 -","4","2","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.0426","0.0377","","","0.0911","0.0942","","","","","","1.062","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335148","8.126","0.0015","9.2813","0.0017","18.779","0.003","81.487","0.002","83.283","0.002","81.982","0.002","1380.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Tricarbonyl(2,5-bis(2,4,6-trimethylphenyl)cyclopent-3-en-1- ylidene)(but-2-ene-2,3-dithiolato)tungsten(II)","","- C28 H30 N2 O3 S2 W -","- C28 H30 N2 O3 S2 W -","- C56 H60 N4 O6 S4 W2 -","2","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.0225","0.0209","","","0.0511","0.052","","","","","","1.07","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335149","9.575","0.0011","24.536","0.003","12.776","0.0015","90","","106.042","0.001","90","","2884.6","0.6","149","2","149","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraethylammonium tris(butane-2,3-dithiolato)tungstate(V) hemibenzene solvate","","- C23 H41 N S6 W -","- C23 H41 N S6 W -","- C92 H164 N4 S24 W4 -","4","1","","Yong Yan; Christopher Keating; Perumalreddy Chandrasekaran; Upul Jayarathne; Joel T. Mague; Serena DeBeer; Kyle M. Lancaster; Stephen Sproules; Igor V. Rubtsov; James P. Donahue","Ancillary Ligand Effects upon Dithiolene Redox Noninnocence in Tungsten Bis(dithiolene) Complexes","Inorganic Chemistry","2013","52","","6743","6751","10.1021/ic4009174","","","0.71073","MoKα","","0.0794","0.0434","","","0.0773","0.0866","","","","","","1.046","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335150","18.6454","0.0008","18.645","","20.4827","0.0009","90","","90","","90","","7120.7","0.4","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H12 Fe4 Mn5 O68.5 Sb6 -","- C24 H12 Fe4 Mn5 O68.5 Sb6 -","- C96 H48 Fe16 Mn20 O274 Sb24 -","4","1","","Qiang Gao; Xiqu Wang; Joshua Tapp; Angela Moeller; Allan J. Jacobson","Antimony Tartrate Transition-Metal-Oxo Chiral Clusters","Inorganic Chemistry","2013","52","","6610","6616","10.1021/ic4006345","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335151","21.4243","0.0002","21.4243","0.0002","17.8779","0.0003","90","","90","","90","","8205.97","0.18","150","2","150","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C146 H120 Cl30 Cu12 Fe4 P8 S6 -","- C146 H120 Cl30 Cu12 Fe4 P8 S6 -","- C292 H240 Cl60 Cu24 Fe8 P16 S12 -","2","0.25","","Chhatra B. Khadka; Bahareh Khalili Najafabadi; Mahdi Hesari; Mark S. Workentin; John F. Corrigan","Copper Chalcogenide Clusters Stabilized with Ferrocene-Based Diphosphine Ligands","Inorganic Chemistry","2013","52","","6798","6805","10.1021/ic3021854","","","0.71073","MoKα","","0.0917","0.0626","","","0.1717","0.211","","","","","","1.081","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335152","16.7936","0.0011","22.2859","0.0015","30.1023","0.0019","90","","98.22","0.002","90","","11150.4","1.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C108 H96 Cl12 Cu8 Fe3 P6 Se4 -","- C108 H96 Cl12 Cu8 Fe3 P6 Se4 -","- C432 H384 Cl48 Cu32 Fe12 P24 Se16 -","4","1","","Chhatra B. Khadka; Bahareh Khalili Najafabadi; Mahdi Hesari; Mark S. Workentin; John F. Corrigan","Copper Chalcogenide Clusters Stabilized with Ferrocene-Based Diphosphine Ligands","Inorganic Chemistry","2013","52","","6798","6805","10.1021/ic3021854","","","0.71073","MoKα","","0.0803","0.0485","","","0.1108","0.1253","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335153","13.2746","0.0016","17.144","0.002","16.1254","0.0019","90","","108.298","0.002","90","","3484.3","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 Cu Fe O3 P2 -","- C40 H39 Cu Fe O3 P2 -","- C160 H156 Cu4 Fe4 O12 P8 -","4","1","","Chhatra B. Khadka; Bahareh Khalili Najafabadi; Mahdi Hesari; Mark S. Workentin; John F. Corrigan","Copper Chalcogenide Clusters Stabilized with Ferrocene-Based Diphosphine Ligands","Inorganic Chemistry","2013","52","","6798","6805","10.1021/ic3021854","","","0.71073","MoKα","","0.089","0.0476","","","0.0929","0.1078","","","","","","1.024","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335154","26.451","0.004","18.553","0.002","18.152","0.002","90","","109.966","0.003","90","","8372.6","1.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C86 H92 Cu4 Fe2 O4.5 P4 Te3 -","- C86 H92 Cu4 Fe2 O4.5 P4 Te3 -","- C344 H368 Cu16 Fe8 O18 P16 Te12 -","4","1","","Chhatra B. Khadka; Bahareh Khalili Najafabadi; Mahdi Hesari; Mark S. Workentin; John F. Corrigan","Copper Chalcogenide Clusters Stabilized with Ferrocene-Based Diphosphine Ligands","Inorganic Chemistry","2013","52","","6798","6805","10.1021/ic3021854","","","0.71073","MoKα","","0.1494","0.0797","","","0.1963","0.2215","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335155","30.448","0.006","16.561","0.003","35.833","0.007","90","","101.85","0.03","90","","17684","6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C172 H184 Cu12 Fe4 O9 P8 Te8 -","- C172 H112 Cu12 Fe4 O9 P8 Te8 -","- C688 H448 Cu48 Fe16 O36 P32 Te32 -","4","0.5","","Chhatra B. Khadka; Bahareh Khalili Najafabadi; Mahdi Hesari; Mark S. Workentin; John F. Corrigan","Copper Chalcogenide Clusters Stabilized with Ferrocene-Based Diphosphine Ligands","Inorganic Chemistry","2013","52","","6798","6805","10.1021/ic3021854","","","0.71073","MoKα","","0.1137","0.0896","","","0.267","0.2831","","","","","","1.211","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335156","4.9381","0.0003","4.9392","0.0003","20.7159","0.0011","90","","91.906","0.002","90","","504.99","0.05","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- F4 H3 O3 Re -","- F4 H2 O3 Re -","- F16 H8 O12 Re4 -","4","1","","Maria V. Ivanova; Tobias Köchner; Hélène P. A. Mercier; Gary J. Schrobilgen","Synthesis and Lewis Acid Properties of (ReO3F)∞and the X-ray Crystal Structures of (HF)2ReO3F.HF and [N(CH3)4]2-[{ReO3(μ-F)}3(μ3-O)].CH3CN","Inorganic Chemistry","2013","52","","6806","6819","10.1021/ic302221y","","","0.71073","MoKα","","0.0438","0.037","","","0.0902","0.0931","","","","","","1.171","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335157","5.7206","0.0002","12.474","0.0003","13.1586","0.0004","90","","115.773","0.001","90","","845.58","0.04","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H12 N O4 Re -","- C4 H12 N O4 Re -","- C16 H48 N4 O16 Re4 -","4","1","","Maria V. Ivanova; Tobias Köchner; Hélène P. A. Mercier; Gary J. Schrobilgen","Synthesis and Lewis Acid Properties of (ReO3F)∞and the X-ray Crystal Structures of (HF)2ReO3F.HF and [N(CH3)4]2-[{ReO3(μ-F)}3(μ3-O)].CH3CN","Inorganic Chemistry","2013","52","","6806","6819","10.1021/ic302221y","","","0.71073","MoKα","","0.046","0.0343","","","0.0947","0.1032","","","","","","0.909","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335158","6.287","0.005","6.287","0.005","12.937","0.005","90","","90","","90","","511.4","0.6","100","2","100","2","","","","","","","","2","I 41/a :2","-I 4ad","88","","","","- F5 K -","- F5 K -","- F20 K4 -","4","0.25","","Maria V. Ivanova; Tobias Köchner; Hélène P. A. Mercier; Gary J. Schrobilgen","Synthesis and Lewis Acid Properties of (ReO3F)∞and the X-ray Crystal Structures of (HF)2ReO3F.HF and [N(CH3)4]2-[{ReO3(μ-F)}3(μ3-O)].CH3CN","Inorganic Chemistry","2013","52","","6806","6819","10.1021/ic302221y","","","0.71073","MoKα","","0.0381","0.0298","","","0.0795","0.0838","","","","","","1.22","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335159","9.1792","0.0005","20.3457","0.0012","14.3432","0.0006","90","","124.301","0.002","90","","2212.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H27 F3 N3 O10 Re3 -","- C10 H27 F3 N3 O10 Re3 -","- C40 H108 F12 N12 O40 Re12 -","4","1","","Maria V. Ivanova; Tobias Köchner; Hélène P. A. Mercier; Gary J. Schrobilgen","Synthesis and Lewis Acid Properties of (ReO3F)∞and the X-ray Crystal Structures of (HF)2ReO3F.HF and [N(CH3)4]2-[{ReO3(μ-F)}3(μ3-O)].CH3CN","Inorganic Chemistry","2013","52","","6806","6819","10.1021/ic302221y","","","0.71073","MoKα","","0.0514","0.0373","","","0.0744","0.0785","","","","","","1.062","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335160","12.596","0.003","13.643","0.003","14.164","0.002","88.326","0.014","80.547","0.014","88.024","0.015","2398.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H30 Cl2 N8 O8 Ru -","- C44 H30 Cl2 N8 O8 Ru -","- C88 H60 Cl4 N16 O16 Ru2 -","2","1","","Dinesh Maity; Shyamal Das; Sourav Mardanya; Sujoy Baitalik","Synthesis, Structural Characterization, and Photophysical, Spectroelectrochemical, and Anion-Sensing Studies of Heteroleptic Ruthenium(II) Complexes Derived from 4'-Polyaromatic-Substituted Terpyridine Derivatives and 2,6-Bis(benzimidazol-2-yl)pyridine","Inorganic Chemistry","2013","52","","6820","6838","10.1021/ic3022326","","","0.71073","MoKα","","0.172","0.0995","","","0.2174","0.2428","","","","","","1.096","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335161","14.356","0.003","14.677","0.004","19.952","0.005","90.232","0.016","105.127","0.015","104.184","0.015","3924.2","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H31 N8 O Ru -","- C45.5 H31 N8 O Ru -","- C182 H124 N32 O4 Ru4 -","4","2","","Dinesh Maity; Shyamal Das; Sourav Mardanya; Sujoy Baitalik","Synthesis, Structural Characterization, and Photophysical, Spectroelectrochemical, and Anion-Sensing Studies of Heteroleptic Ruthenium(II) Complexes Derived from 4'-Polyaromatic-Substituted Terpyridine Derivatives and 2,6-Bis(benzimidazol-2-yl)pyridine","Inorganic Chemistry","2013","52","","6820","6838","10.1021/ic3022326","","","0.71073","MoKα","","0.1319","0.0752","","","0.1809","0.2021","","","","","","0.989","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335162","12.3047","0.0009","19.7234","0.0016","19.5156","0.0015","90","","90.466","0.004","90","","4736.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 Cl2 N8 O8 Ru -","- C50 H32 Cl2 N8 O8 Ru -","- C200 H128 Cl8 N32 O32 Ru4 -","4","1","","Dinesh Maity; Shyamal Das; Sourav Mardanya; Sujoy Baitalik","Synthesis, Structural Characterization, and Photophysical, Spectroelectrochemical, and Anion-Sensing Studies of Heteroleptic Ruthenium(II) Complexes Derived from 4'-Polyaromatic-Substituted Terpyridine Derivatives and 2,6-Bis(benzimidazol-2-yl)pyridine","Inorganic Chemistry","2013","52","","6820","6838","10.1021/ic3022326","","","0.71073","MoKα","","0.1644","0.0674","","","0.1568","0.1805","","","","","","1.02","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335163","26.0427","0.0015","13.4288","0.0008","28.7491","0.0016","90","","104.579","0.002","90","","9730.5","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 Cl N10 O8 Ru2 -","- C45 H33 Cl N10 O8 Ru2 -","- C360 H264 Cl8 N80 O64 Ru16 -","8","2","","Shyamal Das; Srikanta Karmakar; Debasish Saha; Sujoy Baitalik","A Combined Experimental and DFT/TD-DFT Investigation of Structural, Electronic, and Cation-Induced Switching of Photophysical Properties of Bimetallic Ru(II) and Os(II) Complexes Derived from Imidazole-4,5-Dicarboxylic Acid and 2,2'-Bipyridine","Inorganic Chemistry","2013","52","","6860","6879","10.1021/ic302566p","","","0.71073","MoKα","","0.1546","0.1182","","","0.2287","0.2425","","","","","","1.184","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335164","28.7509","0.0009","14.9598","0.0005","24.9847","0.0008","90","","90","","90","","10746.1","0.6","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C45 H33 Cl N10 O10 Os2 -","- C45 H33 Cl N10 O10 Os2 -","- C360 H264 Cl8 N80 O80 Os16 -","8","2","","Shyamal Das; Srikanta Karmakar; Debasish Saha; Sujoy Baitalik","A Combined Experimental and DFT/TD-DFT Investigation of Structural, Electronic, and Cation-Induced Switching of Photophysical Properties of Bimetallic Ru(II) and Os(II) Complexes Derived from Imidazole-4,5-Dicarboxylic Acid and 2,2'-Bipyridine","Inorganic Chemistry","2013","52","","6860","6879","10.1021/ic302566p","","","0.71073","MoKα","","0.0802","0.054","","","0.1457","0.1625","","","","","","0.827","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335165","43.564","0.005","15.4972","0.0017","18.9103","0.0019","90","","105.32","0.007","90","","12313","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H66 B2 F8 N12 Ni -","- C57 H66 B2 F8 N12 Ni -","- C456 H528 B16 F64 N96 Ni8 -","8","1","","David Schweinfurth; J. Krzystek; Igor Schapiro; Serhiy Demeshko; Johannes Klein; Joshua Telser; Andrew Ozarowski; Cheng-Yong Su; Franc Meyer; Mihail Atanasov; Frank Neese; Biprajit Sarkar","Electronic Structures of Octahedral Ni(II) Complexes with ""Click"" Derived Triazole Ligands: A Combined Structural, Magnetometric, Spectroscopic, and Theoretical Study","Inorganic Chemistry","2013","52","","6880","6892","10.1021/ic3026123","","","0.71073","MoKα","","0.1979","0.0898","","","0.1997","0.2423","","","","","","1.072","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335166","10.1706","0.0014","11.408","0.003","13.979","0.003","93.789","0.017","105.242","0.013","94.67","0.014","1553.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 B2 F8 N20 Ni -","- C60 H60 B2 F8 N20 Ni -","- C60 H60 B2 F8 N20 Ni -","1","0.5","","David Schweinfurth; J. Krzystek; Igor Schapiro; Serhiy Demeshko; Johannes Klein; Joshua Telser; Andrew Ozarowski; Cheng-Yong Su; Franc Meyer; Mihail Atanasov; Frank Neese; Biprajit Sarkar","Electronic Structures of Octahedral Ni(II) Complexes with ""Click"" Derived Triazole Ligands: A Combined Structural, Magnetometric, Spectroscopic, and Theoretical Study","Inorganic Chemistry","2013","52","","6880","6892","10.1021/ic3026123","","","0.71073","MoKα","","0.0543","0.039","","","0.0986","0.1032","","","","","","0.863","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335167","5.969","0.004","4.195","0.001","11.993","0.005","90","","90","","90","","300.3","0.2","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Ge Ni -","- Ba Ge Ni -","- Ba4 Ge4 Ni4 -","4","0.5","","Viktor Hlukhyy; Lisa Siggelkow; Thomas F. Fässler","From One to Three Dimensions: Corrugated\ιnfty1 [NiGe] Ribbons as a Building Block in Alkaline Earth Metal Ae/Ni/Ge Phases with Crystal Structure and Chemical Bonding in AeNiGe (Ae = Mg, Sr, Ba)","Inorganic Chemistry","2013","52","","6905","6915","10.1021/ic302681t","","","0.71073","MoKα","","0.0267","0.0218","","","0.0477","0.0492","","","","","","1.076","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335168","6.47418","0.00015","4.07161","0.00009","6.94261","0.00017","90","","90","","90","","183.01","0.007","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge Mg Ni -","- Ge Mg Ni -","- Ge4 Mg4 Ni4 -","4","0.5","","Viktor Hlukhyy; Lisa Siggelkow; Thomas F. Fässler","From One to Three Dimensions: Corrugated\ιnfty1 [NiGe] Ribbons as a Building Block in Alkaline Earth Metal Ae/Ni/Ge Phases with Crystal Structure and Chemical Bonding in AeNiGe (Ae = Mg, Sr, Ba)","Inorganic Chemistry","2013","52","","6905","6915","10.1021/ic302681t","","","0.71073","MoKα","","0.0154","0.0148","","","0.0328","0.033","","","","","","1.298","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335169","5.7268","0.0013","4.1742","0.0009","11.4","0.003","90","","90","","90","","272.51","0.11","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge Ni Sr -","- Ge Ni Sr -","- Ge4 Ni4 Sr4 -","4","0.5","","Viktor Hlukhyy; Lisa Siggelkow; Thomas F. Fässler","From One to Three Dimensions: Corrugated\ιnfty1 [NiGe] Ribbons as a Building Block in Alkaline Earth Metal Ae/Ni/Ge Phases with Crystal Structure and Chemical Bonding in AeNiGe (Ae = Mg, Sr, Ba)","Inorganic Chemistry","2013","52","","6905","6915","10.1021/ic302681t","","","0.71073","MoKα","","0.0485","0.0361","","","0.0782","0.0825","","","","","","1.057","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335170","14.278","0.002","20.082","0.003","17.91","0.002","90","","103.98","0.02","90","","4983.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H79 Al N2 O8 Si2 -","- C45 H79 Al N2 O8 Si2 -","- C180 H316 Al4 N8 O32 Si8 -","4","1","","Raúl Huerta-Lavorie; Diego Solis-Ibarra; Dana Victoria Báez-Rodríguez; Marisol Reyes-Lezama; M. de las Nieves Zavala-Segovia; Vojtech Jancik","Heterometallic Alumo- and Gallodisilicates with M(O-Si-O)2M' and [M(O-Si-O)2]2M' Cores (M = Al, Ga; M' = Ti, Zr, Hf)","Inorganic Chemistry","2013","52","","6934","6943","10.1021/ic400156n","","","0.71073","MoKα","","0.0624","0.0529","","","0.1231","0.1285","","","","","","1.09","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335171","14.501","0.002","19.85","0.002","17.756","0.003","90","","102.88","0.02","90","","4982.4","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H79 Ga N2 O8 Si2 -","- C45 H79 Ga N2 O8 Si2 -","- C180 H316 Ga4 N8 O32 Si8 -","4","1","","Raúl Huerta-Lavorie; Diego Solis-Ibarra; Dana Victoria Báez-Rodríguez; Marisol Reyes-Lezama; M. de las Nieves Zavala-Segovia; Vojtech Jancik","Heterometallic Alumo- and Gallodisilicates with M(O-Si-O)2M' and [M(O-Si-O)2]2M' Cores (M = Al, Ga; M' = Ti, Zr, Hf)","Inorganic Chemistry","2013","52","","6934","6943","10.1021/ic400156n","","","0.71073","MoKα","","0.0382","0.0318","","","0.0779","0.0814","","","","","","1.032","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335172","12.4257","0.0004","13.0671","0.0005","37.4401","0.0013","90","","91.881","0.001","90","","6075.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H97 Al N4 O8 Si2 Zr -","- C53 H97 Al N4 O8 Si2 Zr -","- C212 H388 Al4 N16 O32 Si8 Zr4 -","4","1","","Raúl Huerta-Lavorie; Diego Solis-Ibarra; Dana Victoria Báez-Rodríguez; Marisol Reyes-Lezama; M. de las Nieves Zavala-Segovia; Vojtech Jancik","Heterometallic Alumo- and Gallodisilicates with M(O-Si-O)2M' and [M(O-Si-O)2]2M' Cores (M = Al, Ga; M' = Ti, Zr, Hf)","Inorganic Chemistry","2013","52","","6934","6943","10.1021/ic400156n","","","0.71073","MoKα","","0.0352","0.0297","","","0.0693","0.0721","","","","","","1.035","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335173","12.4717","0.0005","13.0571","0.0005","37.4659","0.0014","90","","91.955","0.001","90","","6097.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H97 Ga N4 O8 Si2 Zr -","- C53 H97 Ga N4 O8 Si2 Zr -","- C212 H388 Ga4 N16 O32 Si8 Zr4 -","4","1","","Raúl Huerta-Lavorie; Diego Solis-Ibarra; Dana Victoria Báez-Rodríguez; Marisol Reyes-Lezama; M. de las Nieves Zavala-Segovia; Vojtech Jancik","Heterometallic Alumo- and Gallodisilicates with M(O-Si-O)2M' and [M(O-Si-O)2]2M' Cores (M = Al, Ga; M' = Ti, Zr, Hf)","Inorganic Chemistry","2013","52","","6934","6943","10.1021/ic400156n","","","0.71073","MoKα","","0.0375","0.0296","","","0.0668","0.0701","","","","","","1.022","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335174","12.4329","0.0007","13.0387","0.0007","37.4929","0.0019","90","","91.999","0.001","90","","6074.2","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H97 Al Hf N4 O8 Si2 -","- C53 H97 Al Hf N4 O8 Si2 -","- C212 H388 Al4 Hf4 N16 O32 Si8 -","4","1","","Raúl Huerta-Lavorie; Diego Solis-Ibarra; Dana Victoria Báez-Rodríguez; Marisol Reyes-Lezama; M. de las Nieves Zavala-Segovia; Vojtech Jancik","Heterometallic Alumo- and Gallodisilicates with M(O-Si-O)2M' and [M(O-Si-O)2]2M' Cores (M = Al, Ga; M' = Ti, Zr, Hf)","Inorganic Chemistry","2013","52","","6934","6943","10.1021/ic400156n","","","0.71073","MoKα","","0.0381","0.0291","","","0.0597","0.0626","","","","","","1.037","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335175","12.4739","0.0004","13.029","0.0004","37.5017","0.0011","90","","92.158","0.001","90","","6090.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H97 Ga Hf N4 O8 Si2 -","- C53 H97 Ga Hf N4 O8 Si2 -","- C212 H388 Ga4 Hf4 N16 O32 Si8 -","4","1","","Raúl Huerta-Lavorie; Diego Solis-Ibarra; Dana Victoria Báez-Rodríguez; Marisol Reyes-Lezama; M. de las Nieves Zavala-Segovia; Vojtech Jancik","Heterometallic Alumo- and Gallodisilicates with M(O-Si-O)2M' and [M(O-Si-O)2]2M' Cores (M = Al, Ga; M' = Ti, Zr, Hf)","Inorganic Chemistry","2013","52","","6934","6943","10.1021/ic400156n","","","0.71073","MoKα","","0.0205","0.0188","","","0.0422","0.0427","","","","","","1.11","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335176","12.7898","0.0013","46.817","0.005","19.4595","0.0019","90","","90.127","0.002","90","","11652","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C109.11 H175.84 Al2 N4 O16 Si4 Ti -","- C109.11 H175.84 Al2 N4 O16 Si4 Ti -","- C436.44 H703.36 Al8 N16 O64 Si16 Ti4 -","4","1","","Raúl Huerta-Lavorie; Diego Solis-Ibarra; Dana Victoria Báez-Rodríguez; Marisol Reyes-Lezama; M. de las Nieves Zavala-Segovia; Vojtech Jancik","Heterometallic Alumo- and Gallodisilicates with M(O-Si-O)2M' and [M(O-Si-O)2]2M' Cores (M = Al, Ga; M' = Ti, Zr, Hf)","Inorganic Chemistry","2013","52","","6934","6943","10.1021/ic400156n","","","0.71073","MoKα","","0.0664","0.053","","","0.1227","0.1298","","","","","","1.086","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335177","12.768","0.002","46.784","0.005","19.654","0.003","90","","90.24","0.03","90","","11740","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110.16 H177.04 Al2 N4 O16 Si4 Zr -","- C110.16 H177.04 Al2 N4 O16 Si4 Zr -","- C440.64 H708.16 Al8 N16 O64 Si16 Zr4 -","4","1","","Raúl Huerta-Lavorie; Diego Solis-Ibarra; Dana Victoria Báez-Rodríguez; Marisol Reyes-Lezama; M. de las Nieves Zavala-Segovia; Vojtech Jancik","Heterometallic Alumo- and Gallodisilicates with M(O-Si-O)2M' and [M(O-Si-O)2]2M' Cores (M = Al, Ga; M' = Ti, Zr, Hf)","Inorganic Chemistry","2013","52","","6934","6943","10.1021/ic400156n","","","0.71073","MoKα","","0.0764","0.0615","","","0.1397","0.1464","","","","","","1.11","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335178","13.7916","0.0003","33.8092","0.0008","24.2899","0.0006","90","","101.304","0.001","90","","11106.3","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C99.38 H172.75 Ga2 N4 O16 Si4 Zr -","- C99.375 H172.75 Ga2 N4 O16 Si4 Zr -","- C397.5 H691 Ga8 N16 O64 Si16 Zr4 -","4","1","","Raúl Huerta-Lavorie; Diego Solis-Ibarra; Dana Victoria Báez-Rodríguez; Marisol Reyes-Lezama; M. de las Nieves Zavala-Segovia; Vojtech Jancik","Heterometallic Alumo- and Gallodisilicates with M(O-Si-O)2M' and [M(O-Si-O)2]2M' Cores (M = Al, Ga; M' = Ti, Zr, Hf)","Inorganic Chemistry","2013","52","","6934","6943","10.1021/ic400156n","","","0.71073","MoKα","","0.0391","0.0346","","","0.0853","0.0875","","","","","","1.096","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335179","12.777","0.002","46.851","0.005","19.643","0.002","90","","90.32","0.02","90","","11758","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C109.81 H176.64 Al2 Hf N4 O16 Si4 -","- C109.81 H176.64 Al2 Hf N4 O16 Si4 -","- C439.24 H706.56 Al8 Hf4 N16 O64 Si16 -","4","1","","Raúl Huerta-Lavorie; Diego Solis-Ibarra; Dana Victoria Báez-Rodríguez; Marisol Reyes-Lezama; M. de las Nieves Zavala-Segovia; Vojtech Jancik","Heterometallic Alumo- and Gallodisilicates with M(O-Si-O)2M' and [M(O-Si-O)2]2M' Cores (M = Al, Ga; M' = Ti, Zr, Hf)","Inorganic Chemistry","2013","52","","6934","6943","10.1021/ic400156n","","","0.71073","MoKα","","0.0478","0.0415","","","0.0909","0.0935","","","","","","1.106","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335180","13.8092","0.0009","33.807","0.002","24.3049","0.0015","90","","101.216","0.001","90","","11130","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C99.12 H174.26 Ga2 Hf N4 O16 Si4 -","- C99.122 H174.268 Ga2 Hf N4 O16 Si4 -","- C396.488 H697.072 Ga8 Hf4 N16 O64 Si16 -","4","1","","Raúl Huerta-Lavorie; Diego Solis-Ibarra; Dana Victoria Báez-Rodríguez; Marisol Reyes-Lezama; M. de las Nieves Zavala-Segovia; Vojtech Jancik","Heterometallic Alumo- and Gallodisilicates with M(O-Si-O)2M' and [M(O-Si-O)2]2M' Cores (M = Al, Ga; M' = Ti, Zr, Hf)","Inorganic Chemistry","2013","52","","6934","6943","10.1021/ic400156n","","","0.71073","MoKα","","0.0622","0.0496","","","0.0917","0.0955","","","","","","1.169","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335181","9.9018","0.0018","12.84","0.003","14.826","0.002","88.127","0.014","70.545","0.012","78.295","0.011","1739.1","0.6","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C79 H65 Cl9 N4 -","- C79 H65 Cl9 N4 -","- C79 H65 Cl9 N4 -","1","0.5","","Subhadip Neogi; Yvonne Lorenz; Marianne Engeser; Debabrata Samanta; Michael Schmittel","Heteroleptic Metallosupramolecular Racks, Rectangles, and Trigonal Prisms: Stoichiometry-Controlled Reversible Interconversion","Inorganic Chemistry","2013","52","","6975","6984","10.1021/ic400328d","","","0.71073","MoKα","","0.2071","0.0782","","","0.1394","0.1722","","","","","","0.985","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335182","12.07264","0.00015","9.8987","0.00011","17.5667","0.0002","90","","104.645","0.0013","90","","2031.08","0.04","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl3 Cr N3 P -","- C18 H18 Cl3 Cr N3 P -","- C72 H72 Cl12 Cr4 N12 P4 -","4","1","","Christopher J. Whiteoak; James D. Nobbs; Evgeny Kiryushchenkov; Sandro Pagano; Andrew J.P. White; George J.P. Britovsek","Tri(pyridylmethyl)phosphine: The Elusive Congener of TPA Shows Surprisingly Different Coordination Behavior","Inorganic Chemistry","2013","52","","7000","7009","10.1021/ic4005196","","","0.71073","MoKα","","0.0388","0.0283","","","0.0747","0.0765","","","","","","1.107","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335183","19.8229","0.0002","22.6568","0.0003","18.5048","0.0002","90","","90","","90","","8310.94","0.16","173","","173","","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C38 H39 Br4 Fe2 N7 P2 -","- C38 H39 Br4 Fe2 N7 P2 -","- C304 H312 Br32 Fe16 N56 P16 -","8","0.5","","Christopher J. Whiteoak; James D. Nobbs; Evgeny Kiryushchenkov; Sandro Pagano; Andrew J.P. White; George J.P. Britovsek","Tri(pyridylmethyl)phosphine: The Elusive Congener of TPA Shows Surprisingly Different Coordination Behavior","Inorganic Chemistry","2013","52","","7000","7009","10.1021/ic4005196","","","1.54184","CuKα","","0.0636","0.0384","","","0.0908","0.1017","","","","","","0.949","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335184","13.1348","0.0003","13.5183","0.0003","14.2438","0.0003","92.854","0.0017","97.9214","0.0018","104.557","0.0018","2415.17","0.1","173","","173","","","","","","","","","9","P -1","-P 1","2","","","","- C39 H44 Cl2 F6 Fe N12 O6 P2 S2 -","- C39 H44 Cl2 F6 Fe N12 O6 P2 S2 -","- C78 H88 Cl4 F12 Fe2 N24 O12 P4 S4 -","2","1","","Christopher J. Whiteoak; James D. Nobbs; Evgeny Kiryushchenkov; Sandro Pagano; Andrew J.P. White; George J.P. Britovsek","Tri(pyridylmethyl)phosphine: The Elusive Congener of TPA Shows Surprisingly Different Coordination Behavior","Inorganic Chemistry","2013","52","","7000","7009","10.1021/ic4005196","","","0.71073","MoKα","","0.0693","0.0596","","","0.1623","0.1763","","","","","","1.12","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335185","21.5022","0.0002","32.0677","0.0002","29.0228","0.0002","90","","104.381","0.0009","90","","19384.9","0.3","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Cl8 Fe3 N12 P2 -","- C36 H42 Cl8 Fe3 N12 P2 -","- C576 H672 Cl128 Fe48 N192 P32 -","16","4","","Christopher J. Whiteoak; James D. Nobbs; Evgeny Kiryushchenkov; Sandro Pagano; Andrew J.P. White; George J.P. Britovsek","Tri(pyridylmethyl)phosphine: The Elusive Congener of TPA Shows Surprisingly Different Coordination Behavior","Inorganic Chemistry","2013","52","","7000","7009","10.1021/ic4005196","","","0.71073","MoKα","","0.1181","0.0626","","","0.1607","0.1811","","","","","","1.107","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335186","8.54332","0.0001","24.0817","0.0003","13.86264","0.00017","90","","96.5352","0.0011","90","","2833.53","0.06","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl8 N4 Ru -","- C21 H24 Cl8 N4 Ru -","- C84 H96 Cl32 N16 Ru4 -","4","1","","Christopher J. Whiteoak; James D. Nobbs; Evgeny Kiryushchenkov; Sandro Pagano; Andrew J.P. White; George J.P. Britovsek","Tri(pyridylmethyl)phosphine: The Elusive Congener of TPA Shows Surprisingly Different Coordination Behavior","Inorganic Chemistry","2013","52","","7000","7009","10.1021/ic4005196","","","0.71073","MoKα","","0.0474","0.0359","","","0.0749","0.0767","","","","","","1.126","","","","has coordinates,has disorder","179454","2020-10-21","18:00:00",""
"4335187","8.71065","0.00014","9.04339","0.00016","20.2295","0.0003","93.6493","0.0014","93.6436","0.0014","92.6472","0.0014","1585.09","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 F12 N7 Ru Sb2 -","- C24 H27 F12 N7 Ru Sb2 -","- C48 H54 F24 N14 Ru2 Sb4 -","2","1","","Christopher J. Whiteoak; James D. Nobbs; Evgeny Kiryushchenkov; Sandro Pagano; Andrew J.P. White; George J.P. Britovsek","Tri(pyridylmethyl)phosphine: The Elusive Congener of TPA Shows Surprisingly Different Coordination Behavior","Inorganic Chemistry","2013","52","","7000","7009","10.1021/ic4005196","","","0.71073","MoKα","","0.0452","0.0284","","","0.0552","0.0575","","","","","","0.936","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335188","10.7301","0.0003","37.0357","0.0011","20.8357","0.001","90","","101.078","0.004","90","","8125.8","0.5","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C27 H33.5 F12 N6.5 O0.5 P Ru Sb2 -","- C27 H33.5 F12 N6.5 O0.5 P Ru Sb2 -","- C216 H268 F96 N52 O4 P8 Ru8 Sb16 -","8","2","","Christopher J. Whiteoak; James D. Nobbs; Evgeny Kiryushchenkov; Sandro Pagano; Andrew J.P. White; George J.P. Britovsek","Tri(pyridylmethyl)phosphine: The Elusive Congener of TPA Shows Surprisingly Different Coordination Behavior","Inorganic Chemistry","2013","52","","7000","7009","10.1021/ic4005196","","","1.54184","CuKα","","0.0922","0.0737","","","0.22","0.2349","","","","","","1.101","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335189","19.9942","0.0002","19.9942","0.0002","7.4709","0.0001","90","","90","","90","","2986.63","0.06","123","","123","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C10 H11 Cl Mo N4 O2 -","- C10 H11 Cl Mo N4 O2 -","- C80 H88 Cl8 Mo8 N32 O16 -","8","1","","Lars-Arne Schaper; Xuhui Wei; Philipp J. Altmann; Karl Öfele; Alexander Pöthig; Markus Drees; János Mink; Eberhardt Herdtweck; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species","Inorganic Chemistry","2013","52","","7031","7044","10.1021/ic4005449","","x-ray","0.71073","MoKα","","0.0316","0.0239","","","0.0479","0.0503","","","","","","1.071","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335190","26.4751","0.0008","28.2602","0.0009","6.2479","0.0002","90","","90","","90","","4674.6","0.3","123","","123","","","","","","","","see text","5","F d d 2","F 2 -2d","43","","","","- C8 H6 Cr N4 O5 -","- C8 H6 Cr N4 O5 -","- C128 H96 Cr16 N64 O80 -","16","1","","Lars-Arne Schaper; Xuhui Wei; Philipp J. Altmann; Karl Öfele; Alexander Pöthig; Markus Drees; János Mink; Eberhardt Herdtweck; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species","Inorganic Chemistry","2013","52","","7031","7044","10.1021/ic4005449","","x-ray","0.71073","MoKα","","0.0244","0.0214","","","0.0492","0.0504","","","","","","1.054","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335191","16.6456","0.0004","7.223","0.0002","11.3038","0.0003","90","","105.001","0.001","90","","1312.75","0.06","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Cl Ir N4 -","- C11 H18 Cl Ir N4 -","- C44 H72 Cl4 Ir4 N16 -","4","1","","Lars-Arne Schaper; Xuhui Wei; Philipp J. Altmann; Karl Öfele; Alexander Pöthig; Markus Drees; János Mink; Eberhardt Herdtweck; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species","Inorganic Chemistry","2013","52","","7031","7044","10.1021/ic4005449","","x-ray","0.71073","MoKα","","0.0154","0.0136","","","0.03","0.0305","","","","","","1.088","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335192","12.0361","0.001","7.4686","0.0006","13.5986","0.001","90","","103.003","0.004","90","","1191.07","0.16","123","","123","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cr N4 O5 -","- C8 H6 Cr N4 O5 -","- C32 H24 Cr4 N16 O20 -","4","1","","Lars-Arne Schaper; Xuhui Wei; Philipp J. Altmann; Karl Öfele; Alexander Pöthig; Markus Drees; János Mink; Eberhardt Herdtweck; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species","Inorganic Chemistry","2013","52","","7031","7044","10.1021/ic4005449","","x-ray","0.71073","MoKα","","0.0353","0.0268","","","0.063","0.0681","","","","","","1.025","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335193","16.2176","0.0005","6.707","0.0002","12.0627","0.0004","90","","93.949","0.001","90","","1308.96","0.07","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Cl Ir N4 -","- C11 H18 Cl Ir N4 -","- C44 H72 Cl4 Ir4 N16 -","4","1","","Lars-Arne Schaper; Xuhui Wei; Philipp J. Altmann; Karl Öfele; Alexander Pöthig; Markus Drees; János Mink; Eberhardt Herdtweck; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species","Inorganic Chemistry","2013","52","","7031","7044","10.1021/ic4005449","","x-ray","0.71073","MoKα","","0.0201","0.0185","","","0.044","0.0449","","","","","","1.073","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335194","8.9809","0.0002","7.9092","0.0002","13.9153","0.0003","90","","99.3855","0.001","90","","975.2","0.04","123","1","123","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 Cl Ir N4 O2 -","- C5 H6 Cl Ir N4 O2 -","- C20 H24 Cl4 Ir4 N16 O8 -","4","1","","Lars-Arne Schaper; Xuhui Wei; Philipp J. Altmann; Karl Öfele; Alexander Pöthig; Markus Drees; János Mink; Eberhardt Herdtweck; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species","Inorganic Chemistry","2013","52","","7031","7044","10.1021/ic4005449","","","0.71073","MoKα","","0.0179","0.0175","","","0.0444","0.0446","","","","","","1.199","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335195","6.99","0.0012","6.3339","0.0012","15.124","0.003","90","","90","","90","","669.6","0.2","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H6 Ag Cl N4 -","- C3 H6 Ag Cl N4 -","- C12 H24 Ag4 Cl4 N16 -","4","0.5","","Lars-Arne Schaper; Xuhui Wei; Philipp J. Altmann; Karl Öfele; Alexander Pöthig; Markus Drees; János Mink; Eberhardt Herdtweck; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn","Synthesis and Comparison of Transition Metal Complexes of Abnormal and Normal Tetrazolylidenes: A Neglected Ligand Species","Inorganic Chemistry","2013","52","","7031","7044","10.1021/ic4005449","","x-ray","0.71073","MoKα","","0.0129","0.0123","","","0.0319","0.0322","","","","","","1.053","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335196","10.62","0.002","13.657","0.003","15.445","0.003","71.11","0.03","85.43","0.03","84.12","0.03","2105.7","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H70 Au2 Cl8 N4 O4 P4 -","- C74 H70 Au2 Cl8 N4 O4 P4 -","- C74 H70 Au2 Cl8 N4 O4 P4 -","1","0.5","","Nasser Nasser; Aneta Borecki; Paul D. Boyle; Richard J. Puddephatt","A Versatile Diphosphine Ligand: cis and trans Chelation or Bridging, with Self Association through Hydrogen Bonding","Inorganic Chemistry","2013","52","","7051","7060","10.1021/ic400576m","","","0.71073","MoKα","","0.0424","0.0377","","","0.1007","0.105","","","","","","1.024","","","","has coordinates","179454","2020-10-21","18:00:00",""
"4335197","12.102","0.002","13.432","0.003","14.707","0.003","89.73","0.03","68.07","0.03","86.94","0.03","2214.2","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19.5 H18 Cl N O P Pt0.5 -","- C19.5 H18 Cl N O P Pt0.5 -","- C78 H72 Cl4 N4 O4 P4 Pt2 -","4","2","","Nasser Nasser; Aneta Borecki; Paul D. Boyle; Richard J. Puddephatt","A Versatile Diphosphine Ligand: cis and trans Chelation or Bridging, with Self Association through Hydrogen Bonding","Inorganic Chemistry","2013","52","","7051","7060","10.1021/ic400576m","","","0.71073","MoKα","","0.0362","0.0318","","","0.0801","0.082","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335198","10.0685","0.0009","17.8332","0.0016","18.5484","0.0016","90","","91.297","0.002","90","","3329.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 N2 O2 P2 Pt -","- C38 H40 N2 O2 P2 Pt -","- C152 H160 N8 O8 P8 Pt4 -","4","1","","Nasser Nasser; Aneta Borecki; Paul D. Boyle; Richard J. Puddephatt","A Versatile Diphosphine Ligand: cis and trans Chelation or Bridging, with Self Association through Hydrogen Bonding","Inorganic Chemistry","2013","52","","7051","7060","10.1021/ic400576m","","","0.71073","MoKα","","0.0546","0.0321","","","0.06","0.067","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335199","17.6919","0.0011","19.0824","0.0012","25.5103","0.0016","71.363","0.002","89.258","0.002","75.583","0.002","7882.9","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H81.5 Cl2.5 N4 O4 P4 Pt2 -","- C77 H81.5 Cl2.5 N4 O4 P4 Pt2 -","- C308 H326 Cl10 N16 O16 P16 Pt8 -","4","2","","Nasser Nasser; Aneta Borecki; Paul D. Boyle; Richard J. Puddephatt","A Versatile Diphosphine Ligand: cis and trans Chelation or Bridging, with Self Association through Hydrogen Bonding","Inorganic Chemistry","2013","52","","7051","7060","10.1021/ic400576m","","","0.71073","MoKα","","0.0714","0.0479","","","0.1256","0.1348","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335200","10.2201","0.0014","11.5271","0.0018","15.413","0.002","76.047","0.008","79.126","0.01","89.563","0.009","1729.2","0.4","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C37 H39 I N2 O3 P2 Pt -","- C37 H39 I N2 O3 P2 Pt -","- C74 H78 I2 N4 O6 P4 Pt2 -","2","1","","Nasser Nasser; Aneta Borecki; Paul D. Boyle; Richard J. Puddephatt","A Versatile Diphosphine Ligand: cis and trans Chelation or Bridging, with Self Association through Hydrogen Bonding","Inorganic Chemistry","2013","52","","7051","7060","10.1021/ic400576m","","","0.71073","MoKα","","0.0612","0.04","","","0.074","0.0836","","","","","","1.043","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335201","9.915","0.002","13.179","0.003","19.395","0.004","87.58","0.03","81.98","0.03","76.46","0.03","2439.7","1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18.73 H19.19 Br1.27 N O P Pt0.5 -","- C18.734 H19.202 Br1.266 N O P Pt0.5 -","- C74.936 H76.808 Br5.064 N4 O4 P4 Pt2 -","4","2","","Nasser Nasser; Aneta Borecki; Paul D. Boyle; Richard J. Puddephatt","A Versatile Diphosphine Ligand: cis and trans Chelation or Bridging, with Self Association through Hydrogen Bonding","Inorganic Chemistry","2013","52","","7051","7060","10.1021/ic400576m","","","0.71073","MoKα","","0.0867","0.0558","","","0.1382","0.1505","","","","","","0.954","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335202","6.5171","0.0016","8.867","0.002","21.844","0.005","90","","90","","90","","1262.3","0.5","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Au2 Ba P4 -","- Au2 Ba P4 -","- Au16 Ba8 P32 -","8","0.25","","James Fulmer; Derrick C. Kaseman; Juli-Anna Dolyniuk; Kathleen Lee; Sabyasachi Sen; Kirill Kovnir","BaAu2P4: Layered Zintl Polyphosphide with Infinite \ιnfty1(P-) Chains","Inorganic Chemistry","2013","52","","7061","7067","10.1021/ic400584w","","","0.71073","MoKα","","0.0171","0.0151","","","0.033","0.0335","","","","","","1.075","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335203","9.3139","0.0003","16.3035","0.0005","10.4467","0.0003","90","","103.507","0.002","90","","1542.45","0.08","100","2","100","0.1","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C30 H33 Fe2 O8 P W2 -","- C30 H33 Fe2 O8 P W2 -","- C60 H66 Fe4 O16 P2 W4 -","2","1","","M. Angeles Alvarez; M. Esther García; Miguel A. Ruiz; Adrián Toyos; M. Fernanda Vega","Heterometallic Derivatives of the Unsaturated Ditungsten Hydride [W2(η5-C5H5)2(H)(μ-PCy2)(CO)2]","Inorganic Chemistry","2013","52","","7068","7077","10.1021/ic400602y","","x-ray","0.71073","MoKα","","0.03","0.0285","","","0.0668","0.0676","","","","","","1.029","","","","has coordinates,has disorder","179455","2020-10-21","18:00:00",""
"4335204","9.2955","0.0005","16.2208","0.0007","21.1179","0.0011","90","","90.212","0.002","90","","3184.1","0.3","100","2","100","0.1","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 Fe2 O9 P W2 -","- C31 H33 Fe2 O9 P W2 -","- C124 H132 Fe8 O36 P4 W8 -","4","1","","M. Angeles Alvarez; M. Esther García; Miguel A. Ruiz; Adrián Toyos; M. Fernanda Vega","Heterometallic Derivatives of the Unsaturated Ditungsten Hydride [W2(η5-C5H5)2(H)(μ-PCy2)(CO)2]","Inorganic Chemistry","2013","52","","7068","7077","10.1021/ic400602y","","x-ray","0.71073","MoKα","","0.0774","0.038","","","0.0611","0.0715","","","","","","1.024","","","","has coordinates,has disorder","179455","2020-10-21","18:00:00",""
"4335205","10.0338","0.0004","12.7361","0.0005","16.688","0.0007","101.098","0.003","101.394","0.003","102.627","0.003","1977.11","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H35 Cl2 N5 O2 U -","- C47 H35 Cl2 N5 O2 U -","- C94 H70 Cl4 N10 O4 U2 -","2","1","","Clément Camp; Julie Andrez; Jacques Pécaut; Marinella Mazzanti","Synthesis of Electron-Rich Uranium(IV) Complexes Supported by Tridentate Schiff Base Ligands and Their Multi-Electron Redox Chemistry","Inorganic Chemistry","2013","52","","7078","7086","10.1021/ic4006218","","","0.71073","MoKα","","0.0618","0.0511","","","0.1229","0.1286","","","","","","1.155","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335206","11.1583","0.0006","13.4999","0.0007","13.5383","0.0005","97.421","0.003","107.177","0.004","98.029","0.004","1897.74","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H76 N8 O4 U2 -","- C98 H76 N8 O4 U2 -","- C98 H76 N8 O4 U2 -","1","0.5","","Clément Camp; Julie Andrez; Jacques Pécaut; Marinella Mazzanti","Synthesis of Electron-Rich Uranium(IV) Complexes Supported by Tridentate Schiff Base Ligands and Their Multi-Electron Redox Chemistry","Inorganic Chemistry","2013","52","","7078","7086","10.1021/ic4006218","","","0.71073","MoKα","","0.1494","0.078","","","0.114","0.1516","","","","","","0.939","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335207","45.625","0.002","15.8387","0.0009","18.5959","0.0013","90","","110.506","0.005","90","","12586.7","1.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78.5 H60.5 N8.5 O4 U -","- C78.5 H60.5 N8.5 O4 U -","- C628 H484 N68 O32 U8 -","8","1","","Clément Camp; Julie Andrez; Jacques Pécaut; Marinella Mazzanti","Synthesis of Electron-Rich Uranium(IV) Complexes Supported by Tridentate Schiff Base Ligands and Their Multi-Electron Redox Chemistry","Inorganic Chemistry","2013","52","","7078","7086","10.1021/ic4006218","","","0.71073","MoKα","","0.1181","0.0623","","","0.1318","0.1654","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335208","16.2723","0.0005","11.8342","0.0003","18.1568","0.0005","90","","108.281","0.003","90","","3319.98","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H30 N4 O4 U -","- C42 H30 N4 O4 U -","- C168 H120 N16 O16 U4 -","4","1","","Clément Camp; Julie Andrez; Jacques Pécaut; Marinella Mazzanti","Synthesis of Electron-Rich Uranium(IV) Complexes Supported by Tridentate Schiff Base Ligands and Their Multi-Electron Redox Chemistry","Inorganic Chemistry","2013","52","","7078","7086","10.1021/ic4006218","","","0.71073","MoKα","","0.1015","0.045","","","0.0736","0.0874","","","","","","1.012","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335209","12.04909","0.00015","7.00406","0.00009","3.51307","0.00005","90","","90","","90","","296.477","0.007","298","3","298","3","","","","","","","","5","C m m m","-C 2 2","65","","","","- C4 H4 Cl2 N2 Ni -","- C4 Cl2 N2 Ni -","- C8 Cl4 N4 Ni2 -","2","0.125","","Miguel Cortijo; Santiago Herrero; Reyes Jiménez-Aparicio; Emilio Matesanz","Modulation of the Magnetic Properties of Two-Dimensional Compounds [NiX2(N-N)] by Tailoring Their Crystal Structure","Inorganic Chemistry","2013","52","","7087","7093","10.1021/ic400632c","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","4.8126","","","","","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335210","11.94192","0.00009","11.31702","0.00007","3.58496","0.00002","90","","90","","90","","484.496","0.005","298","3","298","3","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C10 H8 Cl2 N2 Ni -","- C10 Cl2 N2 Ni -","- C20 Cl4 N4 Ni2 -","2","0.25","","Miguel Cortijo; Santiago Herrero; Reyes Jiménez-Aparicio; Emilio Matesanz","Modulation of the Magnetic Properties of Two-Dimensional Compounds [NiX2(N-N)] by Tailoring Their Crystal Structure","Inorganic Chemistry","2013","52","","7087","7093","10.1021/ic400632c","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","5.8235","","","","","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335211","11.78396","0.00018","13.56871","0.00017","3.61331","0.00005","90","","90","","90","","577.743","0.014","298","3","298","3","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C12 H10 Cl2 N2 Ni -","- C12 Cl2 N2 Ni -","- C24 Cl4 N4 Ni2 -","2","0.25","","Miguel Cortijo; Santiago Herrero; Reyes Jiménez-Aparicio; Emilio Matesanz","Modulation of the Magnetic Properties of Two-Dimensional Compounds [NiX2(N-N)] by Tailoring Their Crystal Structure","Inorganic Chemistry","2013","52","","7087","7093","10.1021/ic400632c","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","4.6983","","","","","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335212","11.71243","0.00017","13.58998","0.00015","3.67828","0.00009","90","","97.629","0.004","90","","580.296","0.019","298","3","298","3","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H12 Cl2 N2 Ni -","- C12 Cl2 N2 Ni -","- C24 Cl4 N4 Ni2 -","2","0.5","","Miguel Cortijo; Santiago Herrero; Reyes Jiménez-Aparicio; Emilio Matesanz","Modulation of the Magnetic Properties of Two-Dimensional Compounds [NiX2(N-N)] by Tailoring Their Crystal Structure","Inorganic Chemistry","2013","52","","7087","7093","10.1021/ic400632c","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","5.8864","","","","","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335213","8.2346","0.0007","5.6216","0.0005","19.6698","0.0016","90","","92.71","0.001","90","","909.53","0.13","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H8 O9 P2 U -","- C2 H6 O9.267 P2 U -","- C8 H24 O37.068 P8 U4 -","4","1","","Tao Tian; Weiting Yang; Hao Wang; Song Dang; Qing-Jiang Pan; Zhong-Ming Sun","Syntheses and Structures of Uranyl Ethylenediphosphonates: From Layers to Elliptical Nanochannels","Inorganic Chemistry","2013","52","","7100","7106","10.1021/ic400658y","","","0.71073","MoKα","","0.0325","0.0303","","","0.0757","0.0766","","","","","","1.111","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335214","8.4769","0.0008","9.7317","0.0009","14.707","0.0015","83.848","0.001","85.158","0.001","89.304","0.001","1202","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H68 N2 O28 P6 U3 -","- C22 H56 N2 O28 P6 U3 -","- C22 H56 N2 O28 P6 U3 -","1","0.5","","Tao Tian; Weiting Yang; Hao Wang; Song Dang; Qing-Jiang Pan; Zhong-Ming Sun","Syntheses and Structures of Uranyl Ethylenediphosphonates: From Layers to Elliptical Nanochannels","Inorganic Chemistry","2013","52","","7100","7106","10.1021/ic400658y","","","0.71073","MoKα","","0.0387","0.0354","","","0.0903","0.0921","","","","","","1.039","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335215","8.6012","0.0012","9.7918","0.0013","19.392","0.003","86.421","0.002","87.197","0.002","84.558","0.002","1621.2","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 N4 O16 P4 U2 -","- C24 H28 N4 O16 P4 U2 -","- C48 H56 N8 O32 P8 U4 -","2","1","","Tao Tian; Weiting Yang; Hao Wang; Song Dang; Qing-Jiang Pan; Zhong-Ming Sun","Syntheses and Structures of Uranyl Ethylenediphosphonates: From Layers to Elliptical Nanochannels","Inorganic Chemistry","2013","52","","7100","7106","10.1021/ic400658y","","","0.71073","MoKα","","0.0713","0.0472","","","0.1051","0.1165","","","","","","1.008","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335216","25.4936","0.001","11.6771","0.0005","13.4533","0.0005","90","","93.638","0.001","90","","3996.9","0.3","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N2 O11 P3 U -","- C15 H18 N2 O11 P3 U -","- C120 H144 N16 O88 P24 U8 -","8","1","","Tao Tian; Weiting Yang; Hao Wang; Song Dang; Qing-Jiang Pan; Zhong-Ming Sun","Syntheses and Structures of Uranyl Ethylenediphosphonates: From Layers to Elliptical Nanochannels","Inorganic Chemistry","2013","52","","7100","7106","10.1021/ic400658y","","","0.71073","MoKα","","0.0315","0.0247","","","0.06","0.0753","","","","","","1.115","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335217","13.8143","0.0003","16.1333","0.0004","18.8378","0.0005","79.279","0.002","82.533","0.002","74.807","0.002","3966.3","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H89 N5 O5 Pt2 -","- C81 H89 N5 O5 Pt2 -","- C162 H178 N10 O10 Pt4 -","2","1","","Wah-Leung Tong; Shek-Man Yiu; Michael C. W. Chan","Crowded Bis-(M-salphen) [M = Pt(II), Zn(II)] Coordination Architectures: Luminescent Properties and Ion-Selective Responses","Inorganic Chemistry","2013","52","","7114","7124","10.1021/ic400692x","","","1.54184","CUKα","","0.0355","0.0342","","","0.0935","0.0949","","","","","","1.045","","","","has coordinates,has disorder","179455","2020-10-21","18:00:00",""
"4335218","12.1686","0.0007","24.5323","0.0009","11.6177","0.0006","90","","114.578","0.006","90","","3153.9","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H72 Cl4 N4 O4 Zn2 -","- C70 H72 Cl4 N4 O4 Zn2 -","- C140 H144 Cl8 N8 O8 Zn4 -","2","0.5","","Wah-Leung Tong; Shek-Man Yiu; Michael C. W. Chan","Crowded Bis-(M-salphen) [M = Pt(II), Zn(II)] Coordination Architectures: Luminescent Properties and Ion-Selective Responses","Inorganic Chemistry","2013","52","","7114","7124","10.1021/ic400692x","","","1.5418","CuKα","","0.0305","0.0291","","","0.0754","0.0762","","","","","","1.047","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335219","9.914","0.0002","16.1958","0.0003","17.5542","0.0004","90","","98.492","0.002","90","","2787.69","0.1","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N2 O2 Pt -","- C34 H34 N2 O2 Pt -","- C136 H136 N8 O8 Pt4 -","4","1","","Wah-Leung Tong; Shek-Man Yiu; Michael C. W. Chan","Crowded Bis-(M-salphen) [M = Pt(II), Zn(II)] Coordination Architectures: Luminescent Properties and Ion-Selective Responses","Inorganic Chemistry","2013","52","","7114","7124","10.1021/ic400692x","","","1.5418","CuKα","","0.0218","0.0196","","","0.0491","0.0502","","","","","","1.082","","","","has coordinates,has disorder","179455","2020-10-21","18:00:00",""
"4335220","11.088","0.0004","11.088","0.0004","18.1614","0.001","90","","90","","120","","1933.69","0.15","298","","298","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- Cs10 D25 Ga9 -","- Cs10 D25 Ga9 -","- Cs20 D50 Ga18 -","2","0.0833333","","Henrik Fahlquist; Dag Noréus","Cs10H[Ga3H8]3: A Hydrogenous Zintl phase Containing Propane-Like Polyanions [Ga3H8]3- and Interstitial Hydrogen","Inorganic Chemistry","2013","52","","7125","7129","10.1021/ic400714e","powder diffraction","neutron","1.5556","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.4614","","","","","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335221","17.3161","0.0004","17.3161","0.0004","17.3161","0.0004","90","","90","","90","","5192.2","0.2","298","","298","","","","","","","","","3","F d -3 :2","-F 2uv 2vw 3","203","","","","- Cs8 D15 Ga5 -","- Cs8 D15 Ga5 -","- Cs64 D120 Ga40 -","8","0.0833333","","Henrik Fahlquist; Dag Noréus","Cs10H[Ga3H8]3: A Hydrogenous Zintl phase Containing Propane-Like Polyanions [Ga3H8]3- and Interstitial Hydrogen","Inorganic Chemistry","2013","52","","7125","7129","10.1021/ic400714e","powder diffraction","neutron","1.5556","ConstantWavelengthNeutronDiffraction","","","","","","","","","7.775","","","","","","","","has coordinates,has Fobs","179455","2020-10-21","18:00:00",""
"4335222","22.497","0.002","22.497","0.002","15.1236","0.0015","90","","90","","120","","6628.8","1.1","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H97 Cl18 Li6 N12 O48.5 Pu6 -","- C24 H72 Cl18 Li6 N12 O48.5 Pu6 -","- C72 H216 Cl54 Li18 N36 O145.5 Pu18 -","3","0.166667","","Karah E. Knope; L. Soderholm","Plutonium(IV) Cluster with a Hexanuclear [Pu6(OH)4O4]12+ Core","Inorganic Chemistry","2013","52","","6770","6772","10.1021/ic4007185","","","0.71073","MoKα","","0.0292","0.022","","","0.0434","0.0454","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335223","11.3055","0.0019","14.066","0.002","22.146","0.004","90","","98.752","0.002","90","","3480.7","1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 Au Cl O P2 Sb -","- C34 H49 Au Cl O P2 Sb -","- C136 H196 Au4 Cl4 O4 P8 Sb4 -","4","1","","Iou-Sheng Ke; François P. Gabbaï","σ-Donor/Acceptor-Confused Ligands: The Case of a Chlorostibine","Inorganic Chemistry","2013","52","","7145","7151","10.1021/ic400736b","","","0.71073","MoKα","","0.0367","0.0275","","","0.0526","0.0553","","","","","","1.036","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4335224","11.368","0.007","17.732","0.01","14.713","0.008","90","","109.889","0.006","90","","2789","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Au Cl2 P2 Sb -","- C24 H36 Au Cl2 P2 Sb -","- C96 H144 Au4 Cl8 P8 Sb4 -","4","1","","Iou-Sheng Ke; François P. Gabbaï","σ-Donor/Acceptor-Confused Ligands: The Case of a Chlorostibine","Inorganic Chemistry","2013","52","","7145","7151","10.1021/ic400736b","","","0.71073","MoKα","","0.0428","0.0356","","","0.0951","0.1007","","","","","","1.025","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335225","11.354","0.012","17.91","0.019","14.814","0.016","90","","109.852","0.012","90","","2833","5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Au Bi Cl2 P2 -","- C24 H36 Au Bi Cl2 P2 -","- C96 H144 Au4 Bi4 Cl8 P8 -","4","1","","Iou-Sheng Ke; François P. Gabbaï","σ-Donor/Acceptor-Confused Ligands: The Case of a Chlorostibine","Inorganic Chemistry","2013","52","","7145","7151","10.1021/ic400736b","","","0.71073","MoKα","","0.0433","0.0282","","","0.058","0.0627","","","","","","1.042","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335226","36.851","0.003","36.851","0.003","15.665","0.003","90","","90","","120","","18423","4","110","2","110","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H41 Au Cl5 O2 P2 Sb -","- C36 H41 Au Cl5 O2 P2 Sb -","- C648 H738 Au18 Cl90 O36 P36 Sb18 -","18","1","","Iou-Sheng Ke; François P. Gabbaï","σ-Donor/Acceptor-Confused Ligands: The Case of a Chlorostibine","Inorganic Chemistry","2013","52","","7145","7151","10.1021/ic400736b","","","0.71073","MoKα","","0.0479","0.0336","","","0.0849","0.0905","","","","","","1.074","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4335227","7.583","0.001","15.35","0.002","6.135","0.001","90","","90","","90","","714.11","0.18","200","2","200","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- F12 N5 Na O Tc2 -","- F12 H20 N5 Na O Tc2 -","- F24 H40 N10 Na2 O2 Tc4 -","2","0.25","","Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram","Hexafluoridotechnetate(IV) Revisited","Inorganic Chemistry","2013","52","","7094","7099","10.1021/ic400775e","","","0.71073","MoKα","","0.0516","0.0379","","","0.0819","0.0865","","","","","","1.07","","","","has coordinates","189097","2020-10-21","18:00:00",""
"4335228","5.943","0.001","5.943","0.001","4.738","0.001","90","","90","","120","","144.92","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Ammonium hexafluorotechnetate(IV)","Ammonium hexafluorotechnetate(IV)","","- F6 N2 Tc -","- F6 H8 N2 Tc -","- F6 H8 N2 Tc -","1","0.0833333","","Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram","Hexafluoridotechnetate(IV) Revisited","Inorganic Chemistry","2013","52","","7094","7099","10.1021/ic400775e","","","0.71073","MoKα","","0.0544","0.0544","","","0.167","0.167","","","","","","1.389","","","","has coordinates","189075","2020-10-21","18:00:00",""
"4335229","5.958","0.001","5.958","0.001","4.757","0.001","90","","90","","120","","146.24","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Sodium hexafluorotechnetate(IV)","Sodium hexafluorotechnetate(IV)","","- F6 Na2 Tc -","- F6 Na2 Tc -","- F6 Na2 Tc -","1","0.0833333","","Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram","Hexafluoridotechnetate(IV) Revisited","Inorganic Chemistry","2013","52","","7094","7099","10.1021/ic400775e","","","0.71073","MoKα","","0.0819","0.0819","","","0.2035","0.2035","","","","","","1.257","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335230","5.796","0.001","5.796","0.001","4.6135","0.001","90","","90","","120","0.012","134.22","0.05","213","2","213","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Potassium hexafluorotechnetate(IV)","Potassium hexafluorotechnetate(IV)","","- F6 K2 Tc -","- F6 K2 Tc -","- F6 K2 Tc -","1","0.0833333","","Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram","Hexafluoridotechnetate(IV) Revisited","Inorganic Chemistry","2013","52","","7094","7099","10.1021/ic400775e","","","0.71073","MoKα","","0.0141","0.0136","","","0.0285","0.0285","","","","","","1.145","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335231","5.949","0.001","5.949","0.001","4.759","0.001","90","","90","","120","","145.86","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Rubidium hexafluorotechnetate","Rubidium hexafluorotechnetate","","- F6 Rb2 Tc -","- F6 Rb2 Tc -","- F6 Rb2 Tc -","1","0.0833333","","Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram","Hexafluoridotechnetate(IV) Revisited","Inorganic Chemistry","2013","52","","7094","7099","10.1021/ic400775e","","","0.71073","MoKα","","0.0432","0.0429","","","0.1089","0.1097","","","","","","1.14","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335232","6.24","0.001","6.24","0.001","4.98","0.001","90","","90","","120","","167.93","0.05","200","2","200","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","Caesium hexafluorotechnetate(IV)","Caesium hexafluorotechnetate(IV)","","- Cs2 F6 Tc -","- Cs2 F6 Tc -","- Cs2 F6 Tc -","1","0.0833333","","Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram","Hexafluoridotechnetate(IV) Revisited","Inorganic Chemistry","2013","52","","7094","7099","10.1021/ic400775e","","","0.71073","MoKα","","0.0535","0.0522","","","0.1267","0.1267","","","","","","1.501","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335233","7.992","0.001","7.992","0.001","20.039","0.001","90","","90","","120","","1108.5","0.2","200","2","200","2","","","","","","","","5","R -3 :H","-R 3","148","Tetramethylammonium hexafluorotechnetate(IV)","Tetramethyl ammonium hexafluorotechnetate(IV)","","- C8 H24 F6 N2 Tc -","- C8 H24 F6 N2 Tc -","- C24 H72 F18 N6 Tc3 -","3","0.166667","","Samundeeswari Mariappan Balasekaran; Matthias Molski; Johann Spandl; Adelheid Hagenbach; Roger Alberto; Ulrich Abram","Hexafluoridotechnetate(IV) Revisited","Inorganic Chemistry","2013","52","","7094","7099","10.1021/ic400775e","","","0.71073","MoKα","","0.0486","0.0481","","","0.1189","0.1193","","","","","","1.138","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335234","12.262","0.005","13.385","0.005","17.217","0.005","104.127","0.005","98.45","0.005","106.134","0.005","2561.5","1.6","30","","30","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H48 Cl2 Fe N10 O15 -","- C52 H48 Cl2 Fe N10 O15 -","- C104 H96 Cl4 Fe2 N20 O30 -","2","1","","Gavin A. Craig; Jose Sánchez Costa; Simon J. Teat; Olivier Roubeau; Dmitry S. Yufit; Judith A. K. Howard; Guillem Aromí","Multimetastability in a Spin-Crossover Compound Leading to Different High-Spin-to-Low-Spin Relaxation Dynamics","Inorganic Chemistry","2013","52","","7203","7209","10.1021/ic400776x","","x-ray","0.71073","MoKα","K-L~3~","0.1361","0.0699","","","0.1201","0.1377","","","","","","1.009","","","","has coordinates,has disorder","179455","2020-10-21","18:00:00",""
"4335235","9.4105","0.0016","5.5849","0.001","13.456","0.002","90","","91.481","0.002","90","","707","0.2","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N2 O -","- C8 H8 N2 O -","- C32 H32 N8 O4 -","4","1","","Yi Rong; Ahmed Al-Harbi; Benjamin Kriegel; Gerard Parkin","Structural Characterization of 2-Imidazolones: Comparison with their Heavier Chalcogen Counterparts","Inorganic Chemistry","2013","52","","7172","7182","10.1021/ic400788g","","","0.71073","MoKα","","0.0752","0.0478","","","0.1057","0.1183","","","","","","1.04","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335236","12.0988","0.0017","10.6355","0.0015","12.013","0.0017","90","","94.073","0.002","90","","1541.9","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 N2 O -","- C7 H12 N2 O -","- C56 H96 N16 O8 -","8","2","","Yi Rong; Ahmed Al-Harbi; Benjamin Kriegel; Gerard Parkin","Structural Characterization of 2-Imidazolones: Comparison with their Heavier Chalcogen Counterparts","Inorganic Chemistry","2013","52","","7172","7182","10.1021/ic400788g","","","0.71073","MoKα","","0.1271","0.0572","","","0.1059","0.1287","","","","","","1.012","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335237","11.2515","0.0019","7.9498","0.0014","11.536","0.002","90","","106.507","0.002","90","","989.3","0.3","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C44 H56 N8 O4 -","4","1","","Yi Rong; Ahmed Al-Harbi; Benjamin Kriegel; Gerard Parkin","Structural Characterization of 2-Imidazolones: Comparison with their Heavier Chalcogen Counterparts","Inorganic Chemistry","2013","52","","7172","7182","10.1021/ic400788g","","","0.71073","MoKα","","0.0463","0.0392","","","0.109","0.1154","","","","","","1.063","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335238","7.7333","0.0005","16.9079","0.001","8.4588","0.0005","90","","106.225","0.001","90","","1061.97","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N2 S -","- C11 H14 N2 S -","- C44 H56 N8 S4 -","4","1","","Yi Rong; Ahmed Al-Harbi; Benjamin Kriegel; Gerard Parkin","Structural Characterization of 2-Imidazolones: Comparison with their Heavier Chalcogen Counterparts","Inorganic Chemistry","2013","52","","7172","7182","10.1021/ic400788g","","","0.71073","MoKα","","0.0449","0.0377","","","0.0987","0.1037","","","","","","1.051","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335239","10.05","0.002","10.99","0.002","11.78","0.002","68.3","0.03","69.38","0.03","75.21","0.03","1119.7","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H60 Co2 Dy2 N4 O22 -","- C34 H60 Co2 Dy2 N4 O22 -","- C34 H60 Co2 Dy2 N4 O22 -","1","0.5","","Stuart K. Langley; Nicholas F. Chilton; Boujemaa Moubaraki; Keith S. Murray","Single-Molecule Magnetism in Three Related {CoIII2DyIII2}- Acetylacetonate Complexes with Multiple Relaxation Mechanisms","Inorganic Chemistry","2013","52","","7183","7192","10.1021/ic400789k","","","0.7107","synchrotron","","0.0472","0.047","","","0.1273","0.1275","","","","","","1.168","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335240","14.0879","0.0009","11.9553","0.0008","16.597","0.0011","90","","91.237","0.002","90","","2794.7","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H64 Co2 Dy2 N4 O26 -","- C32 H56 Co2 Dy2 N4 O26 -","- C64 H112 Co4 Dy4 N8 O52 -","2","0.5","","Stuart K. Langley; Nicholas F. Chilton; Boujemaa Moubaraki; Keith S. Murray","Single-Molecule Magnetism in Three Related {CoIII2DyIII2}- Acetylacetonate Complexes with Multiple Relaxation Mechanisms","Inorganic Chemistry","2013","52","","7183","7192","10.1021/ic400789k","","","0.71073","MoKα","","0.0563","0.0413","","","0.1051","0.1138","","","","","","1.062","","","","has coordinates,has disorder","179455","2020-10-21","18:00:00",""
"4335241","8.6711","0.0006","11.9885","0.0008","12.4358","0.0008","117.342","0.002","99.948","0.002","100.614","0.002","1078.53","0.13","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Co2 Dy2 N4 O20 -","- C32 H56 Co2 Dy2 N4 O20 -","- C32 H56 Co2 Dy2 N4 O20 -","1","0.5","","Stuart K. Langley; Nicholas F. Chilton; Boujemaa Moubaraki; Keith S. Murray","Single-Molecule Magnetism in Three Related {CoIII2DyIII2}- Acetylacetonate Complexes with Multiple Relaxation Mechanisms","Inorganic Chemistry","2013","52","","7183","7192","10.1021/ic400789k","","","0.71073","MoKα","","0.0682","0.0524","","","0.1061","0.1129","","","","","","1.16","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335242","10.27","0.003","15.265","0.004","13.278","0.005","90","","112.117","0.004","90","","1928.4","1.1","173","2","173","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 N2 O10 S4 -","- C8 H24 N2 O10 S4 -","- C32 H96 N8 O40 S16 -","4","1","","Pablo Bruna; Andreas Decken; Friedrich Grein; Jack Passmore; J. Mikko Rautiainen; Stephanie Richardson; Tom Whidden","Synthesis of [N(CH3)4]2O3SOSO2(s) and [N(CH3)4]2[(O2SO)2SO2].SO2(s) Containing (SO4)(SO2)x2- x= 1, 2, Members of a New Class of Sulfur Oxydianions","Inorganic Chemistry","2013","52","","7193","7202","10.1021/ic400805c","","x-ray","0.71073","MoKα","","0.0776","0.0543","","","0.1503","0.1634","","","","","","1.042","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335243","16.4865","0.0011","5.5188","0.0003","10.33","0.0007","90","","98.534","0.005","90","","929.48","0.1","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","sodium_barium_copper(I)_sulfide","","","- Ba2 Cu3 Na S5 -","- Ba2 Cu3 Na S5 -","- Ba8 Cu12 Na4 S20 -","4","0.5","","Mihai Sturza; Fei Han; Daniel P. Shoemaker; Christos D. Malliakas; Duck Young Chung; Hosub Jin; Arthur J. Freeman; Mercouri G. Kanatzidis","NaBa2Cu3S5: A Doped p-Type Degenerate Semiconductor","Inorganic Chemistry","2013","52","","7210","7217","10.1021/ic4008284","","","0.71069","MoKα","","0.0343","0.0305","","","0.0768","0.0786","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335244","16.5363","0.0017","5.5374","0.0005","10.3717","0.001","90","","98.535","0.008","90","","939.2","0.16","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","sodium_barium_copper(I)_sulfide","","","- Ba2 Cu3 Na S5 -","- Ba2 Cu3 Na S5 -","- Ba8 Cu12 Na4 S20 -","4","0.5","","Mihai Sturza; Fei Han; Daniel P. Shoemaker; Christos D. Malliakas; Duck Young Chung; Hosub Jin; Arthur J. Freeman; Mercouri G. Kanatzidis","NaBa2Cu3S5: A Doped p-Type Degenerate Semiconductor","Inorganic Chemistry","2013","52","","7210","7217","10.1021/ic4008284","","","0.71073","MoKα","","0.0377","0.0336","","","0.0837","0.0859","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335245","13.8586","0.0012","12.0336","0.0012","14.0121","0.0011","90","","91.843","0.0019","90","","2335.6","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Gd N3 Ni O11 -","- C21 H24 Gd N3 Ni O11 -","- C84 H96 Gd4 N12 Ni4 O44 -","4","1","","Soichiro Sakamoto; Takeshi Fujinami; Koshiro Nishi; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Nazzareno Re","Carbonato-Bridged NiII2LnIII2 (LnIII= GdIII, TbIII, DyIII) Complexes Generated by Atmospheric CO2 Fixation and Their Single-Molecule-Magnet Behavior: [(μ4-CO3)2{NiII(3-MeOsaltn)(MeOH or H2O)LnIII(NO3)}2].solvent [3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato]","Inorganic Chemistry","2013","52","","7218","7229","10.1021/ic4008312","","","0.71075","MoKα","","","0.0713","","","","0.1781","","","","","","1.004","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335246","13.878","0.002","12.0301","0.0012","14.0146","0.0014","90","","91.984","0.005","90","","2338.4","0.5","446","","446","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N3 Ni O11 Tb -","- C21 H24 N3 Ni O11 Tb -","- C84 H96 N12 Ni4 O44 Tb4 -","4","1","","Soichiro Sakamoto; Takeshi Fujinami; Koshiro Nishi; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Nazzareno Re","Carbonato-Bridged NiII2LnIII2 (LnIII= GdIII, TbIII, DyIII) Complexes Generated by Atmospheric CO2 Fixation and Their Single-Molecule-Magnet Behavior: [(μ4-CO3)2{NiII(3-MeOsaltn)(MeOH or H2O)LnIII(NO3)}2].solvent [3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato]","Inorganic Chemistry","2013","52","","7218","7229","10.1021/ic4008312","","","0.71075","MoKα","","","0.1099","","","","0.2535","","","","","","1.001","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335247","13.8684","0.0007","12.0541","0.0007","14.0314","0.0006","90","","91.895","0.0013","90","","2344.4","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Dy N3 Ni O11 -","- C21 H24 Dy N3 Ni O11 -","- C84 H96 Dy4 N12 Ni4 O44 -","4","1","","Soichiro Sakamoto; Takeshi Fujinami; Koshiro Nishi; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Nazzareno Re","Carbonato-Bridged NiII2LnIII2 (LnIII= GdIII, TbIII, DyIII) Complexes Generated by Atmospheric CO2 Fixation and Their Single-Molecule-Magnet Behavior: [(μ4-CO3)2{NiII(3-MeOsaltn)(MeOH or H2O)LnIII(NO3)}2].solvent [3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato]","Inorganic Chemistry","2013","52","","7218","7229","10.1021/ic4008312","","","0.71075","MoKα","","","0.0334","","","","0.1009","","","","","","1.003","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335248","12.3577","0.0007","12.5279","0.0006","17.2961","0.0008","90","","101.172","0.0014","90","","2627","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Gd N4 Ni O12 -","- C22 H27 Gd N4 Ni O12 -","- C88 H108 Gd4 N16 Ni4 O48 -","4","1","","Soichiro Sakamoto; Takeshi Fujinami; Koshiro Nishi; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Nazzareno Re","Carbonato-Bridged NiII2LnIII2 (LnIII= GdIII, TbIII, DyIII) Complexes Generated by Atmospheric CO2 Fixation and Their Single-Molecule-Magnet Behavior: [(μ4-CO3)2{NiII(3-MeOsaltn)(MeOH or H2O)LnIII(NO3)}2].solvent [3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato]","Inorganic Chemistry","2013","52","","7218","7229","10.1021/ic4008312","","","0.71075","MoKα","","","0.0349","","","","0.119","","","","","","1.009","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335249","12.356","0.0007","12.5146","0.0007","17.2675","0.0011","90","","101.211","0.0018","90","","2619.1","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N4 Ni O12 Tb -","- C22 H27 N4 Ni O12 Tb -","- C88 H108 N16 Ni4 O48 Tb4 -","4","1","","Soichiro Sakamoto; Takeshi Fujinami; Koshiro Nishi; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Nazzareno Re","Carbonato-Bridged NiII2LnIII2 (LnIII= GdIII, TbIII, DyIII) Complexes Generated by Atmospheric CO2 Fixation and Their Single-Molecule-Magnet Behavior: [(μ4-CO3)2{NiII(3-MeOsaltn)(MeOH or H2O)LnIII(NO3)}2].solvent [3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato]","Inorganic Chemistry","2013","52","","7218","7229","10.1021/ic4008312","","","0.71075","MoKα","","","0.0442","","","","0.1182","","","","","","1","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335250","12.3437","0.0008","12.41","0.0007","17.3181","0.0009","90","","101.05","0.0015","90","","2603.7","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Dy N4 Ni O12 -","- C22 H21 Dy N4 Ni O12 -","- C88 H84 Dy4 N16 Ni4 O48 -","4","1","","Soichiro Sakamoto; Takeshi Fujinami; Koshiro Nishi; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Nazzareno Re","Carbonato-Bridged NiII2LnIII2 (LnIII= GdIII, TbIII, DyIII) Complexes Generated by Atmospheric CO2 Fixation and Their Single-Molecule-Magnet Behavior: [(μ4-CO3)2{NiII(3-MeOsaltn)(MeOH or H2O)LnIII(NO3)}2].solvent [3-MeOsaltn =N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato]","Inorganic Chemistry","2013","52","","7218","7229","10.1021/ic4008312","","","0.71075","MoKα","","","0.0559","","","","0.1644","","","","","","1.184","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335251","10.6642","0.001","10.6642","0.001","23.998","0.005","90","","90","","90","","2729.2","0.7","273","2","273","2","","","","","","","","6","P 41","P 4w","76","","","","- C30 H23 Cu N2 Na O8 -","- C30 H23 Cu N2 Na O8 -","- C120 H92 Cu4 N8 Na4 O32 -","4","1","","Qing-Yan Liu; Wei-Lu Xiong; Cai-Ming Liu; Yu-Ling Wang; Jia-Jia Wei; Zuo-Juan Xiahou; Li-Hua Xiong","Chiral Induction in the Ionothermal Synthesis of a 3D Chiral Heterometallic Metal-Organic Framework Constructed from Achiral 1,4-Naphthalenedicarboxylate","Inorganic Chemistry","2013","52","","6773","6775","10.1021/ic400853r","","","0.71073","MoKα","","0.0494","0.0375","","","0.0749","0.0804","","","","","","1.011","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335252","5.7889","0.0012","7.4227","0.0015","12.092","0.002","90.75","0.03","96.09","0.03","90.9","0.03","516.53","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- F2 Na9 O20 Si4 U3 -","- F2 Na9 O20 Si4 U3 -","- F2 Na9 O20 Si4 U3 -","1","0.5","","Yu-Chih Chang; Wen-Jung Chang; Sophie Boudin; Kwang-Hwa Lii","High-Temperature, High-Pressure Hydrothermal Synthesis and Characterization of a Salt-Inclusion Mixed-Valence Uranium(V,VI) Silicate: [Na9F2][(UVO2)(UVIO2)2(Si2O7)2]","Inorganic Chemistry","2013","52","","7230","7235","10.1021/ic400854j","","","0.71073","MoKα","","0.0259","0.0241","","","0.0602","0.0612","","","","","","1.11","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335253","5.842","0.001","7.411","0.002","11.902","0.001","90.41","0.01","94.96","0.01","90.01","0.02","513.35","0.17","","","293","","","","","","","","","5","P -1","-P 1","2","","","","- F2 Na9 O20 Si4 U3 -","- F2 Na9 O20 Si4 U3 -","- F2 Na9 O20 Si4 U3 -","1","0.5","","Yu-Chih Chang; Wen-Jung Chang; Sophie Boudin; Kwang-Hwa Lii","High-Temperature, High-Pressure Hydrothermal Synthesis and Characterization of a Salt-Inclusion Mixed-Valence Uranium(V,VI) Silicate: [Na9F2][(UVO2)(UVIO2)2(Si2O7)2]","Inorganic Chemistry","2013","52","","7230","7235","10.1021/ic400854j","powder diffraction","","1.5418","CuKα","","0.0322","","","","","","","0.0703","0.0871","","","","","","","has coordinates,has Fobs","179455","2020-10-21","18:00:00",""
"4335254","16.5337","0.0003","9.4188","0.0002","17.794","0.0004","90","","90.631","0.001","90","","2770.85","0.1","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H36 Ge N8 -","- C27 H36 Ge N8 -","- C108 H144 Ge4 N32 -","4","0.5","","Benjamin Lyhs; Dieter Bläser; Christoph Wölper; Stephan Schulz; Rebekka Haack; Georg Jansen","Synthesis and Structure of Base-Stabilized Germanium(II) Diazide IPrGe(N3)2","Inorganic Chemistry","2013","52","","7236","7241","10.1021/ic400866c","","","0.71073","MoKα","","0.0551","0.0412","","","0.1095","0.1168","","","","","","1.029","","","","has coordinates,has disorder","179455","2020-10-21","18:00:00",""
"4335255","8.9289","0.0004","9.8177","0.0004","13.9674","0.0006","106.68","0.0004","94.1676","0.0005","107.245","0.0005","1103.37","0.08","173","2","173","2","","","","","","","","10","P -1","-P 1","2","","","","- C18 H38 Bi2 Cl6 F6 N2 O6 P4 Pd S2 -","- C18 H38 Bi2 Cl6 F6 N2 O6 P4 Pd S2 -","- C18 H38 Bi2 Cl6 F6 N2 O6 P4 Pd S2 -","1","0.5","","Chitnis, Saurabh S.; Burford, Neil; Decken, Andreas; Ferguson, Michael J.","Coordination Complexes of Bismuth Triflates with Tetrahydrofuran and Diphosphine Ligands","Inorganic Chemistry","2013","52","12","7242","7248","10.1021/ic400875a","","","0.71073","MoKα","","0.014","0.0136","","","0.0329","0.0331","","","","","","1.106","","","","has coordinates","209508","2020-10-21","18:00:00",""
"4335256","21.137","0.003","15.327","0.003","12.654","0.002","90","","94.498","0.003","90","","4086.8","1.2","188","2","188","1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C9 H19 Bi Br2 F3 N O3 P2 S -","- C9 H19 Bi Br2 F3 N O3 P2 S -","- C72 H152 Bi8 Br16 F24 N8 O24 P16 S8 -","8","1","","Chitnis, Saurabh S.; Burford, Neil; Decken, Andreas; Ferguson, Michael J.","Coordination Complexes of Bismuth Triflates with Tetrahydrofuran and Diphosphine Ligands","Inorganic Chemistry","2013","52","12","7242","7248","10.1021/ic400875a","","x-ray","0.71073","MoKα","","0.0464","0.0364","","","0.0921","0.0998","","","","","","1.027","","","","has coordinates","209508","2020-10-21","18:00:00",""
"4335257","12.602","0.0015","16.2877","0.0019","12.8527","0.0015","90","","118.648","0.001","90","","2315.2","0.5","173","1","173","1","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C10 H19 Bi Cl F6 N O6 P2 S2 -","- C10 H19 Bi Cl F6 N O6 P2 S2 -","- C40 H76 Bi4 Cl4 F24 N4 O24 P8 S8 -","4","1","","Chitnis, Saurabh S.; Burford, Neil; Decken, Andreas; Ferguson, Michael J.","Coordination Complexes of Bismuth Triflates with Tetrahydrofuran and Diphosphine Ligands","Inorganic Chemistry","2013","52","12","7242","7248","10.1021/ic400875a","","x-ray","0.71073","MoKα","","0.032","0.0272","","","0.0638","0.0663","","","","","","1.058","","","","has coordinates,has disorder","209508","2020-10-21","18:00:00",""
"4335258","8.088","0.002","10.539","0.004","11.746","0.003","106.091","0.005","97.96","0.004","106.559","0.003","896","0.5","188","1","188","1","","","","","","","","7","P -1","-P 1","2","","","","- C9 H16 Bi Br2 F3 O5 S -","- C9 H16 Bi Br2 F3 O5 S -","- C18 H32 Bi2 Br4 F6 O10 S2 -","2","1","","Chitnis, Saurabh S.; Burford, Neil; Decken, Andreas; Ferguson, Michael J.","Coordination Complexes of Bismuth Triflates with Tetrahydrofuran and Diphosphine Ligands","Inorganic Chemistry","2013","52","12","7242","7248","10.1021/ic400875a","","x-ray","0.71073","MoKα","","0.0619","0.0498","","","0.1222","0.1297","","","","","","1.048","","","","has coordinates,has disorder","209508","2020-10-21","18:00:00",""
"4335259","21.285","0.0016","15.2439","0.0016","12.3056","0.001","90","","95.629","0.002","90","","3973.5","0.6","198","1","198","1","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C9 H19 Bi Cl2 F3 N O3 P2 S -","- C9 H19 Bi Cl2 F3 N O3 P2 S -","- C72 H152 Bi8 Cl16 F24 N8 O24 P16 S8 -","8","1","","Chitnis, Saurabh S.; Burford, Neil; Decken, Andreas; Ferguson, Michael J.","Coordination Complexes of Bismuth Triflates with Tetrahydrofuran and Diphosphine Ligands","Inorganic Chemistry","2013","52","12","7242","7248","10.1021/ic400875a","","x-ray","0.71073","MoKα","","0.0274","0.0229","","","0.0557","0.0583","","","","","","1.037","","","","has coordinates","209508","2020-10-21","18:00:00",""
"4335260","7.9846","0.0001","13.3099","0.0002","14.6247","0.0003","96.5999","0.0007","91.526","0.0007","91.9869","0.0009","1542.27","0.04","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C11 H26 F9 Fe N6 O14 Ru S3 -","- C11 H26 F9 Fe N6 O14 Ru S3 -","- C22 H52 F18 Fe2 N12 O28 Ru2 S6 -","2","1","","W. Michael Laidlaw; Robert G. Denning; Jennifer C. Green; Jonathan Boyd; Jeffrey Harmer; Amber L. Thompson","140 H/D Isotopomers Identified by Long-Range NMR Hyperfine Shifts in Ruthenium(III) Ammine Complexes. Hyperconjugation in Ru-NH3 Bonding","Inorganic Chemistry","2013","52","","7280","7294","10.1021/ic400903a","","","0.71073","MoKα","","0.0434","0.0357","","0.0939","0.0851","0.0939","","","","","","0.9989","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335261","7.6843","0.0002","12.1514","0.0003","19.8358","0.0004","90","","90","","90","","1852.17","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CuTNTz","copper bis(5-trinitromethyltetrazolate) amine","","- C4 H9 Cu N17 O12 -","- C4 H9 Cu N17 O12 -","- C16 H36 Cu4 N68 O48 -","4","1","","Ralf Haiges; Karl O. Christe","Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles","Inorganic Chemistry","2013","52","","7249","7260","10.1021/ic400919n","","","0.71073","MoKα","","0.0478","0.031","","","0.0526","0.0559","","","","","","1.022","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335262","5.9141","0.0003","21.5244","0.0011","6.0357","0.0003","90","","99.076","0.001","90","","758.71","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","HTNTz","(5-trinitromethyl)-2H-tetrazole","","- C2 H N7 O6 -","- C2 H N7 O6 -","- C8 H4 N28 O24 -","4","1","","Ralf Haiges; Karl O. Christe","Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles","Inorganic Chemistry","2013","52","","7249","7260","10.1021/ic400919n","","","0.71073","MoKα","","0.0476","0.0318","","","0.0725","0.08","","","","","","1.012","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335263","7.0369","0.0003","7.359","0.0003","9.176","0.0004","104.826","0.001","91.804","0.001","109.151","0.001","430.45","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","ammonium 5-trinitromethyltetrazolate","NH4TNTz","","- C2 H4 N8 O6 -","- C2 H4 N8 O6 -","- C4 H8 N16 O12 -","2","1","","Ralf Haiges; Karl O. Christe","Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles","Inorganic Chemistry","2013","52","","7249","7260","10.1021/ic400919n","","","0.71073","MoKα","","0.0406","0.0318","","","0.0777","0.0819","","","","","","1.072","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335264","9.8509","0.0005","8.8922","0.0004","24.3416","0.0012","90","","100.636","0.001","90","","2095.6","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","GuanoTNTz","guanidinium 5-trinitromethyltetrazolate","","- C3 H6 N10 O6 -","- C3 H6 N10 O6 -","- C24 H48 N80 O48 -","8","2","","Ralf Haiges; Karl O. Christe","Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles","Inorganic Chemistry","2013","52","","7249","7260","10.1021/ic400919n","","","0.71073","MoKα","","0.0537","0.0375","","","0.0887","0.0974","","","","","","1.024","","","","has coordinates,has disorder","179455","2020-10-21","18:00:00",""
"4335265","5.8577","0.0001","7.5152","0.0002","9.861","0.0002","85.131","0.001","78.468","0.001","88.425","0.001","423.776","0.016","100","2","100","2","","","","","","","","4","P -1","-P 1","2","RbTNTz","rubidium 5-trinitromethyltetrazolate","","- C2 N7 O6 Rb -","- C2 N7 O6 Rb -","- C4 N14 O12 Rb2 -","2","1","","Ralf Haiges; Karl O. Christe","Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles","Inorganic Chemistry","2013","52","","7249","7260","10.1021/ic400919n","","","0.71073","MoKα","","0.0269","0.0203","","","0.0406","0.0422","","","","","","1.028","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335266","5.9537","0.0002","7.7298","0.0002","10.0994","0.0003","84.2842","0.0005","79.0115","0.0005","87.5204","0.0005","453.85","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","CsTNTz","cesium 5-trinitromethyltetrazolate","","- C2 Cs N7 O6 -","- C2 Cs N7 O6 -","- C4 Cs2 N14 O12 -","2","1","","Ralf Haiges; Karl O. Christe","Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles","Inorganic Chemistry","2013","52","","7249","7260","10.1021/ic400919n","","","0.71073","MoKα","","0.0126","0.0118","","","0.0279","0.0281","","","","","","1.098","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335267","11.7121","0.0019","22.171","0.004","21.479","0.003","90","","91.6","0.002","90","","5575.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AgTNTz","Silver 5-trinitromethyltetrazolate amine","","- C12 H12 Ag6 N46 O36 -","- C12 H12 Ag6 N46 O36 -","- C48 H48 Ag24 N184 O144 -","4","1","","Ralf Haiges; Karl O. Christe","Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles","Inorganic Chemistry","2013","52","","7249","7260","10.1021/ic400919n","","","0.71073","MoKα","","0.0803","0.0494","","","0.1223","0.138","","","","","","1.039","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335268","7.2196","0.0011","7.3128","0.001","10.0239","0.0014","90","","102.734","0.003","90","","516.2","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1H-tetrazole-5-acetic acid","","- C3 H4 N4 O2 -","- C3 H4 N4 O2 -","- C12 H16 N16 O8 -","4","1","","Ralf Haiges; Karl O. Christe","Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles","Inorganic Chemistry","2013","52","","7249","7260","10.1021/ic400919n","","","0.71073","MoKα","","0.0457","0.0339","","","0.0841","0.0901","","","","","","1.043","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335269","9.784","0.0003","11.0429","0.0004","6.5982","0.0002","90","","90","","90","","712.89","0.04","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","ethyl-2(1H-tetrazole-5-yl)acetate","","- C5 H8 N4 O2 -","- C5 H8 N4 O2 -","- C20 H32 N16 O8 -","4","1","","Ralf Haiges; Karl O. Christe","Energetic High-Nitrogen Compounds: 5-(Trinitromethyl)-2H-tetrazole and -tetrazolates, Preparation, Characterization, and Conversion into 5-(Dinitromethyl)tetrazoles","Inorganic Chemistry","2013","52","","7249","7260","10.1021/ic400919n","","","0.71073","MoKα","","0.0267","0.0255","","","0.0669","0.0679","","","","","","1.073","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335270","11.2888","0.0003","14.0944","0.0004","16.3583","0.0004","85.0065","0.0019","86.074","0.0019","77.4845","0.0011","2527.96","0.12","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 B F4 N7 O16 Pd -","- C46 H48 B F4 N7 O16 Pd -","- C92 H96 B2 F8 N14 O32 Pd2 -","2","1","","Yulia Visitaev; Israel Goldberg; Arkadi Vigalok","Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold","Inorganic Chemistry","2013","52","","6779","6781","10.1021/ic400925y","","","0.71073","MoKα","","0.0685","0.0501","","","0.1276","0.1388","","","","","","1.005","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335271","13.2848","0.0003","14.4481","0.0003","20.1605","0.0005","92.3392","0.0013","107.689","0.0013","96.2025","0.0007","3653.97","0.15","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H31 I N6 O15 Pd -","- C33 H31 I N6 O15 Pd -","- C132 H124 I4 N24 O60 Pd4 -","4","2","","Yulia Visitaev; Israel Goldberg; Arkadi Vigalok","Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold","Inorganic Chemistry","2013","52","","6779","6781","10.1021/ic400925y","","","0.71073","MoKα","","0.0968","0.0617","","","0.1274","0.1445","","","","","","1.028","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335272","11.1918","0.0002","12.5967","0.0002","21.9968","0.0005","92.1781","0.0006","92.6925","0.0007","112.479","0.0012","2857.05","0.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H56 B F4 N10 O16 Pd -","- C50 H56 B F4 N10 O16 Pd -","- C100 H112 B2 F8 N20 O32 Pd2 -","2","1","","Yulia Visitaev; Israel Goldberg; Arkadi Vigalok","Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold","Inorganic Chemistry","2013","52","","6779","6781","10.1021/ic400925y","","","0.71073","MoKα","","0.1104","0.0627","","","0.1491","0.1681","","","","","","1.035","","","","has coordinates,has disorder","179455","2020-10-21","18:00:00",""
"4335273","11.463","0.0003","15.9269","0.0005","27.2301","0.0007","90","","97.0868","0.0018","90","","4933.4","0.2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 B F4 N8 O17 Pd -","- C43 H47 B F4 N8 O17 Pd -","- C172 H188 B4 F16 N32 O68 Pd4 -","4","1","","Yulia Visitaev; Israel Goldberg; Arkadi Vigalok","Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold","Inorganic Chemistry","2013","52","","6779","6781","10.1021/ic400925y","","","0.71073","MoKα","","0.0896","0.0603","","","0.135","0.1489","","","","","","1.054","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335274","11.709","0.0002","20.1929","0.0003","26.3218","0.0006","90","","90","","90","","6223.5","0.2","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H63 B F4 N10 O17 Pd -","- C57 H63 B F4 N10 O17 Pd -","- C228 H252 B4 F16 N40 O68 Pd4 -","4","1","","Yulia Visitaev; Israel Goldberg; Arkadi Vigalok","Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold","Inorganic Chemistry","2013","52","","6779","6781","10.1021/ic400925y","","","0.71073","MoKα","","0.095","0.0605","","","0.1338","0.152","","","","","","1.017","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335275","11.3264","0.0002","13.0219","0.0002","17.6812","0.0003","96.8898","0.0008","99.1061","0.0009","97.6194","0.0007","2525.62","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H47 I N8 O16 Pd -","- C47 H47 I N8 O16 Pd -","- C94 H94 I2 N16 O32 Pd2 -","2","1","","Yulia Visitaev; Israel Goldberg; Arkadi Vigalok","Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold","Inorganic Chemistry","2013","52","","6779","6781","10.1021/ic400925y","","","0.71073","MoKα","","0.0772","0.047","","","0.1133","0.13","","","","","","1.056","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335276","12.0684","0.0003","12.5918","0.0003","18.9876","0.0005","85.3169","0.0012","84.1275","0.0015","71.5131","0.0013","2718.45","0.12","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H53 B F4 N8 O17 Pd -","- C50 H53 B F4 N8 O17 Pd -","- C100 H106 B2 F8 N16 O34 Pd2 -","2","1","","Yulia Visitaev; Israel Goldberg; Arkadi Vigalok","Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold","Inorganic Chemistry","2013","52","","6779","6781","10.1021/ic400925y","","","0.71073","MoKα","","0.0591","0.0442","","","0.1113","0.1199","","","","","","1.018","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335277","11.0563","0.0001","27.1957","0.0003","13.0971","0.0002","90","","111.581","0.0005","90","","3662.03","0.08","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 I N6 O15 Pd -","- C33 H31 I N6 O15 Pd -","- C132 H124 I4 N24 O60 Pd4 -","4","1","","Yulia Visitaev; Israel Goldberg; Arkadi Vigalok","Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold","Inorganic Chemistry","2013","52","","6779","6781","10.1021/ic400925y","","","0.71073","MoKα","","0.0518","0.0379","","","0.0981","0.1057","","","","","","1.061","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335278","10.9539","0.0003","16.4987","0.0005","37.4642","0.0015","90","","90","","90","","6770.7","0.4","110","2","110","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C59 H50 B F4 N8 O14 P Pd -","- C59 H50 B F4 N8 O14 P Pd -","- C236 H200 B4 F16 N32 O56 P4 Pd4 -","4","1","","Yulia Visitaev; Israel Goldberg; Arkadi Vigalok","Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold","Inorganic Chemistry","2013","52","","6779","6781","10.1021/ic400925y","","","0.71073","MoKα","","0.1182","0.0937","","","0.2153","0.2232","","","","","","1.069","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335279","10.7953","0.0004","14.0223","0.0005","24.1017","0.0008","105.426","0.002","92.832","0.002","103.924","0.002","3388.4","0.2","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H58 B F4 I N12 O16 Pd2 -","- C58 H58 B F4 I N12 O16 Pd2 -","- C116 H116 B2 F8 I2 N24 O32 Pd4 -","2","1","","Yulia Visitaev; Israel Goldberg; Arkadi Vigalok","Organopalladium Complexes of Oxacalixarenes: Selecting the Lid for the Three-Dimensional Scaffold","Inorganic Chemistry","2013","52","","6779","6781","10.1021/ic400925y","","","0.71073","MoKα","","0.0709","0.0502","","","0.1166","0.126","","","","","","1.018","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335280","4.254","0.007","4.254","0.007","27.82","0.05","90","","90","","120","","436","1.3","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","praseodymium zinc arsenide (7/1.8/8)","praseodymium zinc arsenide (7/1.8/8)","","- As8 Pr7 Zn1.8 -","- As8 Pr7 Zn1.758 -","- As8 Pr7 Zn1.758 -","1","0.0833333","","Xinsong Lin; Arthur Mar","Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE= La-Nd, Sm;n= 3, 4, 5, 6)","Inorganic Chemistry","2013","52","","7261","7270","10.1021/ic400933v","","","0.71073","MoKα","","0.078","0.038","","","0.0922","0.1093","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335281","4.315","0.002","4.315","0.002","17.692","0.01","90","","90","","120","","285.3","0.2","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","lanthanum zinc arsenide (4/1.67/5)","lanthanum zinc arsenide (4/1.67/5)","","- As5 La4 Zn1.67 -","- As5 La4 Zn1.662 -","- As5 La4 Zn1.662 -","1","0.0833333","","Xinsong Lin; Arthur Mar","Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE= La-Nd, Sm;n= 3, 4, 5, 6)","Inorganic Chemistry","2013","52","","7261","7270","10.1021/ic400933v","","","0.71073","MoKα","","0.0339","0.0224","","","0.045","0.0483","","","","","","1.045","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335282","4.288","0.006","4.288","0.006","17.59","0.03","90","","90","","120","","280.1","0.7","296","2","296","2","","","","","","","","4","P -3 m 1","-P 3 2""","164","cerium manganese zinc arsenide (4/0.6/1.2/5)","cerium manganese zinc arsenide (4/0.6/1.2/5)","","- As5 Ce4 Mn0.59 Zn1.16 -","- As5 Ce4 Mn0.58 Zn1.16 -","- As5 Ce4 Mn0.58 Zn1.16 -","1","0.0833333","","Xinsong Lin; Arthur Mar","Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE= La-Nd, Sm;n= 3, 4, 5, 6)","Inorganic Chemistry","2013","52","","7261","7270","10.1021/ic400933v","","","0.71073","MoKα","","0.0477","0.0312","","","0.0819","0.0981","","","","","","1.093","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335283","4.245","0.002","4.245","0.002","17.385","0.017","90","","90","","120","","271.3","0.3","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","praseodymium zinc arsenide (4/1.68/5)","praseodymium zinc arsenide (4/1.68/5)","","- As5 Pr4 Zn1.68 -","- As5 Pr4 Zn1.682 -","- As5 Pr4 Zn1.682 -","1","0.0833333","","Xinsong Lin; Arthur Mar","Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE= La-Nd, Sm;n= 3, 4, 5, 6)","Inorganic Chemistry","2013","52","","7261","7270","10.1021/ic400933v","","","0.71073","MoKα","","0.0219","0.0172","","","0.0368","0.0382","","","","","","1.064","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335284","4.2409","0.0007","4.2409","0.0007","17.39","0.003","90","","90","","120","","270.86","0.08","296","2","296","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","praseodymium zinc arsenide (4/1.80/5)","praseodymium zinc arsenide (4/1.80/5)","","- As5 Pr4 Zn1.8 -","- As5 Pr4 Zn1.804 -","- As5 Pr4 Zn1.804 -","1","0.0833333","","Xinsong Lin; Arthur Mar","Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE= La-Nd, Sm;n= 3, 4, 5, 6)","Inorganic Chemistry","2013","52","","7261","7270","10.1021/ic400933v","","","0.71073","MoKα","","0.0373","0.026","","","0.0628","0.066","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335285","4.246","0.003","4.246","0.003","62.49","0.05","90","","90","","120","","975.7","1.2","296","2","296","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","praseodymium zinc arsenide (5/1.73/6)","praseodymium zinc arsenide (5/1.73/6)","","- As6 Pr5 Zn1.73 -","- As6 Pr5 Zn1.726 -","- As18 Pr15 Zn5.178 -","3","0.0833333","","Xinsong Lin; Arthur Mar","Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE= La-Nd, Sm;n= 3, 4, 5, 6)","Inorganic Chemistry","2013","52","","7261","7270","10.1021/ic400933v","","","0.71073","MoKα","","0.0864","0.0356","","","0.0736","0.092","","","","","","0.977","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335286","4.2821","0.0008","4.2821","0.0008","73.62","0.014","90","","90","","120","","1169.1","0.4","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","cerium zinc arsenide (6/0.4/1.3/7)","cerium zinc arsenide (6/0.4/1.3/7)","","- As7 Ce6 Mn0.43 Zn1.28 -","- As7 Ce6 Mn0.42 Zn1.28 -","- As21 Ce18 Mn1.26 Zn3.84 -","3","0.0833333","","Xinsong Lin; Arthur Mar","Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE= La-Nd, Sm;n= 3, 4, 5, 6)","Inorganic Chemistry","2013","52","","7261","7270","10.1021/ic400933v","","","0.71073","MoKα","","0.0646","0.0292","","","0.0615","0.0721","","","","","","1.059","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335287","4.2283","0.0014","4.2283","0.0014","72.58","0.02","90","","90","","120","","1123.8","0.6","296","2","296","2","","","","","","","","3","R -3 m :H","-R 3 2""","166","neodymium zinc arsenide (6/1.7/6.8)","neodymium zinc arsenide (6/1.7/6.8)","","- As6.83 Nd6 Zn1.67 -","- As6.828 Nd6 Zn1.652 -","- As20.484 Nd18 Zn4.956 -","3","0.0833333","","Xinsong Lin; Arthur Mar","Homologous Series of Rare-Earth Zinc Arsenides REZn2-xAs2.n(REAs) (RE= La-Nd, Sm;n= 3, 4, 5, 6)","Inorganic Chemistry","2013","52","","7261","7270","10.1021/ic400933v","","","0.71073","MoKα","","0.1025","0.0521","","","0.1313","0.1581","","","","","","1.019","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335288","6.2486","0.0004","16.734","0.001","12.6373","0.0009","90","","109.713","0.004","90","","1243.97","0.14","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cl10 Fe2 W2 -","- Cl10 Fe2 W2 -","- Cl40 Fe8 W8 -","4","0.5","","Markus Ströbele; Agnieszka Mos; Hans-Jürgen Meyer","Cluster Harvesting by Successive Reduction of a Metal Halide with a Nonconventional Reduction Agent: A Benefit for the Exploration of Metal-Rich Halide Systems","Inorganic Chemistry","2013","52","","6951","6956","10.1021/ic4009366","powder diffraction","","1.5406","CuKα1","","","","","","","","","9.4417","","","","","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335289","9.6672","0.0005","17.3698","0.0012","14.6146","0.0008","90","","91.36","0.004","90","","2453.4","0.3","150","0.02","150","0.02","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H74 I2 N2 O4 U -","- C44 H74 I2 N2 O4 U -","- C88 H148 I4 N4 O8 U2 -","2","1","","Ellen M. Matson; Stacey R. Opperwall; Phillip E. Fanwick; Suzanne C. Bart","""Oxidative Addition"" of Halogens to Uranium(IV) Bis(amidophenolate) Complexes","Inorganic Chemistry","2013","52","","7295","7304","10.1021/ic4009812","","","1.54184","CU-Kα","","0.071","0.07","","","0.19","0.191","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335290","14.6626","0.0006","16.6809","0.0005","22.7494","0.0006","70.95","","73.1","","83.34","","5030.9","0.3","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H111.33333 N2 O6.66667 U -","- C70 H115.333 N2 O6.66667 U -","- C210 H346 N6 O20 U3 -","3","1.5","","Ellen M. Matson; Stacey R. Opperwall; Phillip E. Fanwick; Suzanne C. Bart","""Oxidative Addition"" of Halogens to Uranium(IV) Bis(amidophenolate) Complexes","Inorganic Chemistry","2013","52","","7295","7304","10.1021/ic4009812","","","1.54184","CU-Kα","","0.052","0.051","","","0.143","0.144","","","","","","1.04","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4335291","12.1917","0.0003","15.9335","0.0008","18.8033","0.0007","109.55","0.003","91.957","0.002","102.413","0.003","3339.2","0.2","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C60 H90 N2 O4 U -","- C60 H90 N2 O4 U -","- C120 H180 N4 O8 U2 -","2","1","","Ellen M. Matson; Stacey R. Opperwall; Phillip E. Fanwick; Suzanne C. Bart","""Oxidative Addition"" of Halogens to Uranium(IV) Bis(amidophenolate) Complexes","Inorganic Chemistry","2013","52","","7295","7304","10.1021/ic4009812","","","1.54184","CU-Kα","","0.037","0.036","","","0.097","0.099","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335292","33.2139","0.0013","15.5613","0.0008","23.525","0.0011","90","","96.585","0.001","90","","12078.7","1","150","0.02","150","0.02","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C111.84 H178.02 Cl4 N4 O4 U2 -","- C111.84 H178.016 Cl4 N4 O4 U2 -","- C447.36 H712.064 Cl16 N16 O16 U8 -","4","0.5","","Ellen M. Matson; Stacey R. Opperwall; Phillip E. Fanwick; Suzanne C. Bart","""Oxidative Addition"" of Halogens to Uranium(IV) Bis(amidophenolate) Complexes","Inorganic Chemistry","2013","52","","7295","7304","10.1021/ic4009812","","","0.71073","MO-Kα","","0.084","0.058","","","0.115","0.124","","","","","","1.063","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335293","20.1713","0.0007","48.0892","0.0016","8.9712","0.0003","90","","90","","90","","8702.3","0.5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C46 H60 Ga2 N4 O3 -","- C46 H60 Ga2 N4 O3 -","- C368 H480 Ga16 N32 O24 -","8","0.5","","Erandi Bernabé-Pablo; Vojtech Jancik; Mónica Moya-Cabrera","A Synthetic Route to a Molecular Galloxane Dihydroxide and Its Group 4 Heterobimetallic Compounds","Inorganic Chemistry","2013","52","","6944","6950","10.1021/ic4010054","","","0.71073","MoKα","","0.0155","0.0153","","","0.0415","0.0416","","","","","","1.05","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335294","20.539","0.003","47.199","0.005","9.343","0.002","90","","90","","90","","9057","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C46 H58 Cl2 Ga2 N4 O -","- C46 H58 Cl2 Ga2 N4 O -","- C368 H464 Cl16 Ga16 N32 O8 -","8","0.5","","Erandi Bernabé-Pablo; Vojtech Jancik; Mónica Moya-Cabrera","A Synthetic Route to a Molecular Galloxane Dihydroxide and Its Group 4 Heterobimetallic Compounds","Inorganic Chemistry","2013","52","","6944","6950","10.1021/ic4010054","","","0.71073","MoKα","","0.0268","0.0252","","","0.0548","0.0553","","","","","","1.002","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335295","13.966","0.002","17.174","0.002","19.935","0.003","90","","90","","90","","4781.5","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H35 Ga N2 -","- C25 H35 Ga N2 -","- C200 H280 Ga8 N16 -","8","2","","Erandi Bernabé-Pablo; Vojtech Jancik; Mónica Moya-Cabrera","A Synthetic Route to a Molecular Galloxane Dihydroxide and Its Group 4 Heterobimetallic Compounds","Inorganic Chemistry","2013","52","","6944","6950","10.1021/ic4010054","","","0.71073","MoKα","","0.0684","0.0548","","","0.1055","0.11","","","","","","1.123","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335296","10.4374","0.0004","13.5148","0.0005","21.8467","0.0008","95.605","0.001","90.835","0.001","112.228","0.001","2834.59","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57.5 H82 Ga2 N6 O3 Zr -","- C57.5 H82 Ga2 N6 O3 Zr -","- C115 H164 Ga4 N12 O6 Zr2 -","2","1","","Erandi Bernabé-Pablo; Vojtech Jancik; Mónica Moya-Cabrera","A Synthetic Route to a Molecular Galloxane Dihydroxide and Its Group 4 Heterobimetallic Compounds","Inorganic Chemistry","2013","52","","6944","6950","10.1021/ic4010054","","","0.71073","MoKα","","0.0347","0.0277","","","0.0656","0.0685","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335297","10.4382","0.0003","13.4996","0.0004","21.7611","0.0007","95.8","0.001","90.452","0.001","112.275","0.001","2819.48","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57.5 H82 Ga2 Hf N6 O3 -","- C57.5 H82 Ga2 Hf N6 O3 -","- C115 H164 Ga4 Hf2 N12 O6 -","2","1","","Erandi Bernabé-Pablo; Vojtech Jancik; Mónica Moya-Cabrera","A Synthetic Route to a Molecular Galloxane Dihydroxide and Its Group 4 Heterobimetallic Compounds","Inorganic Chemistry","2013","52","","6944","6950","10.1021/ic4010054","","","0.71073","MoKα","","0.0174","0.0162","","","0.0404","0.041","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335298","26.201","0.001","14.3041","0.0003","24.6857","0.0009","90","","116.928","0.004","90","","8248.6","0.6","123","0.3","123","0.3","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41.5 H46 Cl N2 O3 Re S -","- C41.5 H46 Cl N2 O3 Re S -","- C332 H368 Cl8 N16 O24 Re8 S8 -","8","2","","Rebeca Arévalo; Julio Pérez; Lucía Riera","Intramolecular Nucleophilic Addition to the 2 Position of Coordinated 2,2'-Bipyridine by a Deprotonated Dimethyl Sulfide Ligand","Inorganic Chemistry","2013","52","","6785","6787","10.1021/ic401065h","","","1.54184","CuKα","","0.0571","0.0444","","","0.1136","0.1207","","","","","","1.028","","","","has coordinates","179455","2020-10-21","18:00:00",""
"4335299","14.677","0.006","15.684","0.005","18.63","0.006","102.952","0.003","108.835","0.004","98.465","0.003","3842","2","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H58 B F24 N2 O3 Re S -","- C73 H58 B F24 N2 O3 Re S -","- C146 H116 B2 F48 N4 O6 Re2 S2 -","2","1","","Rebeca Arévalo; Julio Pérez; Lucía Riera","Intramolecular Nucleophilic Addition to the 2 Position of Coordinated 2,2'-Bipyridine by a Deprotonated Dimethyl Sulfide Ligand","Inorganic Chemistry","2013","52","","6785","6787","10.1021/ic401065h","","","1.5418","CuKα","","0.0419","0.0361","","","0.0928","0.0974","","","","","","0.964","","","","has coordinates,has disorder","179455","2020-10-21","18:00:00",""
"4335300","16.4783","0.0002","18.237","0.0003","16.6378","0.0003","90","","90","","90","","4999.9","0.14","100","0.1","100","0.1","","","","","","","","8","P n 21 a","P -2ac -2n","33","","","","- C47 H26 B F24 N2 O3 Re S -","- C47 H26 B F24 N2 O3 Re S -","- C188 H104 B4 F96 N8 O12 Re4 S4 -","4","1","","Rebeca Arévalo; Julio Pérez; Lucía Riera","Intramolecular Nucleophilic Addition to the 2 Position of Coordinated 2,2'-Bipyridine by a Deprotonated Dimethyl Sulfide Ligand","Inorganic Chemistry","2013","52","","6785","6787","10.1021/ic401065h","","","1.5418","CuKα","","0.0436","0.041","","","0.1107","0.1143","","","","","","0.99","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335301","15.1781","0.0003","32.341","0.0007","16.5167","0.0003","90","","114.685","0.001","90","","7366.7","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 B4 Mo2 S2 -","- C20 H34 B4 Mo2 S2 -","- C240 H408 B48 Mo24 S24 -","12","3","","Bellie Sundaram Krishnamoorthy; Arunabha Thakur; Kiran Kumar Varma Chakrahari; Shubhankar Kumar Bose; Paul Hamon; Thierry Roisnel; Samia Kahlal; Sundargopal Ghosh; Jean-François Halet","Correction to Theoretical and Experimental Investigations on Hypoelectronic Heterodimetallaboranes of Group 6 Transition Metals","Inorganic Chemistry","2013","52","","7305","7305","10.1021/ic401084w","","x-ray","0.71073","MoKα","","0.0997","0.0721","","","0.1841","0.2071","","","","","","1.022","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335302","15.8507","0.0003","14.7628","0.0003","21.2848","0.0004","90","","90","","90","","4980.66","0.17","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H34 B4 Mo2 Te2 -","- C20 H34 B4 Mo2 Te2 -","- C160 H272 B32 Mo16 Te16 -","8","1","","Bellie Sundaram Krishnamoorthy; Arunabha Thakur; Kiran Kumar Varma Chakrahari; Shubhankar Kumar Bose; Paul Hamon; Thierry Roisnel; Samia Kahlal; Sundargopal Ghosh; Jean-François Halet","Correction to Theoretical and Experimental Investigations on Hypoelectronic Heterodimetallaboranes of Group 6 Transition Metals","Inorganic Chemistry","2013","52","","7305","7305","10.1021/ic401084w","","","0.71073","MoKα","","0.0633","0.0514","","","0.1408","0.1452","","","","","","1.056","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335303","3.6653","0.0003","9.6754","0.0012","11.3399","0.0011","110.236","0.01","96.556","0.007","100.513","0.008","364.08","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-(bis(mu-6-thioguaninato-N,S,S)cobalt(II) dihydrate)","","- C10 H12 Co N10 O2 S2 -","- C10 H8 Co N10 O2 S2 -","- C10 H8 Co N10 O2 S2 -","1","0.5","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Ross W. Harrington; William Clegg; Félix Zamora","Correction to Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","7306","7306","10.1021/ic401300u","","","1.54184","CuKα","","0.046","0.0408","","","0.1103","0.1162","","","","","","1.075","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335304","3.738","0.0004","9.3077","0.0012","10.9407","0.0011","106.416","0.01","99.161","0.008","99.614","0.01","351.33","0.07","363","2","363","2","","","","","","","","5","P -1","-P 1","2","","catena-bis(mu-6-thioguaninato-N,S,S)cobalt(II)","","- C10 H8 Co N10 S2 -","- C10 H8 Co N10 S2 -","- C10 H8 Co N10 S2 -","1","0.5","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Ross W. Harrington; William Clegg; Félix Zamora","Correction to Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","7306","7306","10.1021/ic401300u","","","1.54184","CuKα","","0.0571","0.0463","","","0.1146","0.1264","","","","","","1.074","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335305","23.97","0.004","23.97","0.004","6.6297","0.0011","90","","90","","120","","3298.8","1","120","2","120","2","","","","","","","","6","P 3","P 3","143","","[tris(6-thioguanosine-k2N,S)cobalt(III)] dinitrate dihydrate","","- C30 H43 Co N17 O17 S3 -","- C30 H43 Co N17 O17 S3 -","- C90 H129 Co3 N51 O51 S9 -","3","1","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Ross W. Harrington; William Clegg; Félix Zamora","Correction to Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","7306","7306","10.1021/ic401300u","","","0.6889","synchrotron","","0.1166","0.1022","","","0.2615","0.2785","","","","","","1.163","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335306","18.815","0.005","18.815","0.005","6.5787","0.0018","90","","90","","120","","2016.9","0.9","120","2","120","2","","","","","","","","6","P 3","P 3","143","","[tris(6-thioguanosinato-k2N,S)cobalt(III)] sesquihydrate","","- C30 H39 Co N15 O13.5 S3 -","- C30 H39 Co N15 O13.5 S3 -","- C60 H78 Co2 N30 O27 S6 -","2","0.666667","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Ross W. Harrington; William Clegg; Félix Zamora","Correction to Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","7306","7306","10.1021/ic401300u","","","0.6889","synchrotron","","0.0717","0.0557","","","0.1542","0.1655","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335307","19.225","0.003","19.225","0.003","6.618","0.002","90","","90","","120","","2118.3","0.8","120","2","120","2","","","","","","","","6","P 3","P 3","143","","[bis(6-thioguanosine-k2N,S)(6-thioguanosinato-k2N,S)cobalt(III)] sulphate trihydrate","","- C30 H42 Co N15 O19 S4 -","- C30 Co N15 O12 S3 -","- C60 Co2 N30 O24 S6 -","2","0.666667","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Ross W. Harrington; William Clegg; Félix Zamora","Correction to Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","7306","7306","10.1021/ic401300u","","","0.702","synchrotron","","0.2203","0.1769","","","0.4291","0.4687","","","","","","1.711","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335308","14.8292","0.0001","9.426","0.0001","21.67","0.0002","90","","105.384","0.0006","90","","2920.51","0.05","20","1","20","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ru(D)2(D2)2(P(C5H9)3)2]","","","- C30 H54 D6 P2 Ru -","- C30 H54 D5.06 P2 Ru -","- C120 H216 D20.24 P8 Ru4 -","4","1","","Mary Grellier; Sax A. Mason; Alberto Albinati; Silvia C. Capelli; Silvia Rizzato; Christian Bijani; Yannick Coppel; Sylviane Sabo-Etienne","Probing Highly Selective H/D Exchange Processes with a Ruthenium Complex through Neutron Diffraction and Multinuclear NMR Studies.","Inorganic Chemistry","2013","52","","7329","7337","10.1021/ic302307m","","neutron","1.1675","neutron","","0.0452","0.0319","","","0.0606","0.0635","","","","","","1.146","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335309","14.8307","0.001","9.4259","0.0006","21.675","0.0015","90","0.005","105.381","0.01","90","0.005","2921.5","0.4","20","1","20","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ru(D)2(D2)2(P(C5H9)3)2]","","","- C30 H50 D10 P2 Ru -","- C30 H45.15 D5.44 P2 Ru -","- C120 H180.6 D21.76 P8 Ru4 -","4","1","","Mary Grellier; Sax A. Mason; Alberto Albinati; Silvia C. Capelli; Silvia Rizzato; Christian Bijani; Yannick Coppel; Sylviane Sabo-Etienne","Probing Highly Selective H/D Exchange Processes with a Ruthenium Complex through Neutron Diffraction and Multinuclear NMR Studies.","Inorganic Chemistry","2013","52","","7329","7337","10.1021/ic302307m","","neutron","1.3152","neutron","","0.0882","0.0635","","","0.1396","0.1599","","","","","","1.12","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335310","15.13","0.002","14.199","0.002","18.764","0.003","90","","111.922","0.002","90","","3739.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N3 O2 Pt -","- C22 H17 N3 O2 Pt -","- C176 H136 N24 O16 Pt8 -","8","2","","Eric Turner; Nathan Bakken; Jian Li","Cyclometalated Platinum Complexes with Luminescent Quantum Yields Approaching 100%","Inorganic Chemistry","2013","52","","7344","7351","10.1021/ic302490c","","","0.71073","MoKα","","0.0303","0.0225","","","0.0535","0.0565","","","","","","1.031","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335311","22.53","0.005","25.597","0.005","34.009","0.005","90","0.005","107.439","0.005","90","0.005","18712","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H22 F18 N O14 Zn4 -","- C53 H22 F18 N O14 Zn4 -","- C424 H176 F144 N8 O112 Zn32 -","8","1","","Atanu Santra; Irena Senkovska; Stefan Kaskel; Parimal K. Bharadwaj","Gas Storage in a Partially Fluorinated Highly Stable Three-Dimensional Porous Metal-Organic Framework","Inorganic Chemistry","2013","52","","7358","7366","10.1021/ic302645r","","","0.71073","MoKα","","0.1408","0.0889","","","0.213","0.2352","","","","","","0.937","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335312","11.9233","0.0003","10.5074","0.0005","19.8377","0.0008","90","","93.315","0.002","90","","2481.17","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H46 Ag2 F12 N4 P4 -","- C48 H46 Ag2 F12 N4 P4 -","- C96 H92 Ag4 F24 N8 P8 -","2","0.5","","Xianghao Liu; Pierre Braunstein","Complexes with Hybrid Phosphorus-NHC Ligands: Pincer-Type Ir Hydrides, Dinuclear Ag and Ir and Tetranuclear Cu and Ag Complexes","Inorganic Chemistry","2013","52","","7367","7379","10.1021/ic302854t","","","0.71073","MoKα","","0.0837","0.053","","","0.1402","0.1743","","","","","","1.139","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335313","10.0347","0.0006","14.2909","0.0006","14.4418","0.0007","62.225","0.003","72.114","0.003","85.688","0.003","1738.16","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H86 F12 Ir2 N4 O2 P4 -","- C72 H86 F12 Ir2 N4 O2 P4 -","- C72 H86 F12 Ir2 N4 O2 P4 -","1","0.5","","Xianghao Liu; Pierre Braunstein","Complexes with Hybrid Phosphorus-NHC Ligands: Pincer-Type Ir Hydrides, Dinuclear Ag and Ir and Tetranuclear Cu and Ag Complexes","Inorganic Chemistry","2013","52","","7367","7379","10.1021/ic302854t","","","0.71073","MoKα","","0.0801","0.053","","","0.1082","0.121","","","","","","1.03","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335314","20.4549","0.0006","12.3814","0.0002","25.1919","0.0006","90","","123.518","0.002","90","","5319.2","0.3","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H56 Ag4 Cl2 I4 N4 O2 P2 -","- C37 H56 Ag4 Cl2 I4 N4 O2 P2 -","- C148 H224 Ag16 Cl8 I16 N16 O8 P8 -","4","1","","Xianghao Liu; Pierre Braunstein","Complexes with Hybrid Phosphorus-NHC Ligands: Pincer-Type Ir Hydrides, Dinuclear Ag and Ir and Tetranuclear Cu and Ag Complexes","Inorganic Chemistry","2013","52","","7367","7379","10.1021/ic302854t","","","0.71073","MoKα","","0.0998","0.0619","","","0.1502","0.1667","","","","","","1.101","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335315","9.4993","0.0007","11.2175","0.0009","12.023","0.0015","108.775","0.002","107.405","0.002","103.001","0.002","1081.8","0.18","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H22 I N2 O P -","- C23 H22 I N2 O P -","- C46 H44 I2 N4 O2 P2 -","2","1","","Xianghao Liu; Pierre Braunstein","Complexes with Hybrid Phosphorus-NHC Ligands: Pincer-Type Ir Hydrides, Dinuclear Ag and Ir and Tetranuclear Cu and Ag Complexes","Inorganic Chemistry","2013","52","","7367","7379","10.1021/ic302854t","","","0.71073","MoKα","","0.0517","0.0306","","","0.0581","0.0638","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335316","13.003","0.0007","13.7427","0.0008","14.3145","0.0006","72.152","0.003","76.698","0.003","63.608","0.002","2167.8","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H84 Cu4 I4 N8 O4 P4 -","- C92 H84 Cu4 I4 N8 O4 P4 -","- C92 H84 Cu4 I4 N8 O4 P4 -","1","0.5","","Xianghao Liu; Pierre Braunstein","Complexes with Hybrid Phosphorus-NHC Ligands: Pincer-Type Ir Hydrides, Dinuclear Ag and Ir and Tetranuclear Cu and Ag Complexes","Inorganic Chemistry","2013","52","","7367","7379","10.1021/ic302854t","","x-ray","0.71073","MoKα","","0.1317","0.0759","","","0.1614","0.181","","","","","","1.041","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335317","21.346","0.004","18.782","0.004","16.033","0.003","90","","106.14","0.03","90","","6175","2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H11 Dy F18 N2 O6 -","- C25 H11 Dy F18 N2 O6 -","- C200 H88 Dy8 F144 N16 O48 -","8","2","","Ya-Li Wang; Yue Ma; Xi Yang; Jinkui Tang; Peng Cheng; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao","Syntheses, Structures, and Magnetic and Luminescence Properties of a New DyIII-Based Single-Ion Magnet","Inorganic Chemistry","2013","52","","7380","7386","10.1021/ic400006n","","","0.71073","MoKα","","0.0688","0.0581","","","0.1478","0.1663","","","","","","1.058","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335318","11.793","0.002","15.86","0.003","17.825","0.004","78.93","0.03","77.25","0.03","72.95","0.03","3079.7","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H11 F18 N2 O6 Tb -","- C25 H11 F18 N2 O6 Tb -","- C100 H44 F72 N8 O24 Tb4 -","4","2","","Ya-Li Wang; Yue Ma; Xi Yang; Jinkui Tang; Peng Cheng; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao","Syntheses, Structures, and Magnetic and Luminescence Properties of a New DyIII-Based Single-Ion Magnet","Inorganic Chemistry","2013","52","","7380","7386","10.1021/ic400006n","","","0.71073","MoKα","","0.0562","0.0485","","","0.1336","0.1398","","","","","","1.061","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335319","21.297","0.004","18.783","0.004","16.013","0.003","90","","106.06","0.03","90","","6156","2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H11 F18 Ho N2 O6 -","- C25 H11 F18 Ho N2 O6 -","- C200 H88 F144 Ho8 N16 O48 -","8","2","","Ya-Li Wang; Yue Ma; Xi Yang; Jinkui Tang; Peng Cheng; Qing-Lun Wang; Li-Cun Li; Dai-Zheng Liao","Syntheses, Structures, and Magnetic and Luminescence Properties of a New DyIII-Based Single-Ion Magnet","Inorganic Chemistry","2013","52","","7380","7386","10.1021/ic400006n","","","0.71073","MoKα","","0.0503","0.0436","","","0.109","0.114","","","","","","1.044","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335320","12.7766","0.0001","13.9229","0.0001","27.2566","0.0004","80.822","0.0003","84.8511","0.0004","67.7105","0.0007","4426.61","0.08","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C46 H72 F6 Fe N8 O10 S2 -","- C46 H72 F6 Fe N8 O10 S2 -","- C138 H216 F18 Fe3 N24 O30 S6 -","3","3","","Marcel A. H. Moelands; Sjoerd Nijsse; Emma Folkertsma; Bas de Bruin; Martin Lutz; Anthony L. Spek; Robertus J. M. Klein Gebbink","Bioinspired Nonheme Iron Complexes Derived from an Extended Series of N,N,O-Ligated BAIP Ligands","Inorganic Chemistry","2013","52","","7394","7410","10.1021/ic400096e","","","0.71073","MoKα","","0.0786","0.0496","","","0.1116","0.1264","","","","","","0.999","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335321","14.3823","0.0002","14.6648","0.0004","22.2031","0.0007","87.999","0.001","88.8","0.001","89.251","0.001","4678.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33.9 H45.85 F6 Fe N9.95 O10 S2 -","- C33.9 H45.85 F6 Fe N9.95 O10 S2 -","- C135.6 H183.4 F24 Fe4 N39.8 O40 S8 -","4","2","","Marcel A. H. Moelands; Sjoerd Nijsse; Emma Folkertsma; Bas de Bruin; Martin Lutz; Anthony L. Spek; Robertus J. M. Klein Gebbink","Bioinspired Nonheme Iron Complexes Derived from an Extended Series of N,N,O-Ligated BAIP Ligands","Inorganic Chemistry","2013","52","","7394","7410","10.1021/ic400096e","","","0.71073","MoKα","","0.1102","0.068","","","0.1657","0.1909","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335322","17.2165","0.0005","13.1126","0.0004","20.2556","0.0013","90","","91.388","0.002","90","","4571.4","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 F6 Fe N8 O10 S2 -","- C32 H44 F6 Fe N8 O10 S2 -","- C128 H176 F24 Fe4 N32 O40 S8 -","4","1","","Marcel A. H. Moelands; Sjoerd Nijsse; Emma Folkertsma; Bas de Bruin; Martin Lutz; Anthony L. Spek; Robertus J. M. Klein Gebbink","Bioinspired Nonheme Iron Complexes Derived from an Extended Series of N,N,O-Ligated BAIP Ligands","Inorganic Chemistry","2013","52","","7394","7410","10.1021/ic400096e","","","0.71073","MoKα","","0.0628","0.0488","","","0.1275","0.1355","","","","","","1.148","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335323","8.6294","0.0005","10.7097","0.0008","11.4184","0.0006","65.829","0.004","88.557","0.003","81.683","0.002","951.95","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H42 F6 Fe N10 O8 S2 -","- C30 H42 F6 Fe N10 O8 S2 -","- C30 H42 F6 Fe N10 O8 S2 -","1","0.5","","Marcel A. H. Moelands; Sjoerd Nijsse; Emma Folkertsma; Bas de Bruin; Martin Lutz; Anthony L. Spek; Robertus J. M. Klein Gebbink","Bioinspired Nonheme Iron Complexes Derived from an Extended Series of N,N,O-Ligated BAIP Ligands","Inorganic Chemistry","2013","52","","7394","7410","10.1021/ic400096e","","","0.71073","MoKα","","0.0827","0.0665","","","0.1626","0.1741","","","","","","1.106","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335324","16.6451","0.0002","18.8376","0.0003","17.5683","0.0003","90","","90","","90","","5508.61","0.14","150","2","150","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C50 H54 F6 Fe N10 O10 S2 -","- C50 H54 F6 Fe N10 O10 S2 -","- C200 H216 F24 Fe4 N40 O40 S8 -","4","0.5","","Marcel A. H. Moelands; Sjoerd Nijsse; Emma Folkertsma; Bas de Bruin; Martin Lutz; Anthony L. Spek; Robertus J. M. Klein Gebbink","Bioinspired Nonheme Iron Complexes Derived from an Extended Series of N,N,O-Ligated BAIP Ligands","Inorganic Chemistry","2013","52","","7394","7410","10.1021/ic400096e","","","0.71073","MoKα","","0.0833","0.0597","","","0.1721","0.1897","","","","","","1.057","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335325","11.7689","0.0002","26.0832","0.0006","22.7901","0.0006","90","","112.868","0.0008","90","","6446.1","0.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H67 F6 Fe N13 O10 S2 -","- C58 H67 F6 Fe N13 O10 S2 -","- C232 H268 F24 Fe4 N52 O40 S8 -","4","1","","Marcel A. H. Moelands; Sjoerd Nijsse; Emma Folkertsma; Bas de Bruin; Martin Lutz; Anthony L. Spek; Robertus J. M. Klein Gebbink","Bioinspired Nonheme Iron Complexes Derived from an Extended Series of N,N,O-Ligated BAIP Ligands","Inorganic Chemistry","2013","52","","7394","7410","10.1021/ic400096e","","","0.71073","MoKα","","0.1127","0.0632","","","0.1562","0.1851","","","","","","1.077","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335326","14.9769","0.0001","11.8607","0.0001","17.6525","0.0002","90","","122.693","0.0005","90","","2638.96","0.04","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 F6 Fe N12 O8 S2 -","- C50 H56 F6 Fe N12 O8 S2 -","- C100 H112 F12 Fe2 N24 O16 S4 -","2","0.5","","Marcel A. H. Moelands; Sjoerd Nijsse; Emma Folkertsma; Bas de Bruin; Martin Lutz; Anthony L. Spek; Robertus J. M. Klein Gebbink","Bioinspired Nonheme Iron Complexes Derived from an Extended Series of N,N,O-Ligated BAIP Ligands","Inorganic Chemistry","2013","52","","7394","7410","10.1021/ic400096e","","","0.71073","MoKα","","0.0552","0.0418","","","0.1173","0.1275","","","","","","1.093","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335327","26.94","0.005","12.806","0.002","34.583","0.006","90","","92.678","0.003","90","","11918","4","93","2","93","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C48 H51 Ir3 S6 -","- C48 H51 Ir3 S6 -","- C384 H408 Ir24 S48 -","8","2","","Ryota Sakamoto; Tetsuya Kambe; Satoru Tsukada; Kenji Takada; Ken Hoshiko; Yasutaka Kitagawa; Mitsutaka Okumura; Hiroshi Nishihara","π-Conjugated Trinuclear Group-9 Metalladithiolenes with a Triphenylene Backbone","Inorganic Chemistry","2013","52","","7411","7416","10.1021/ic400110z","","","0.71075","MoKα","","","0.0922","","","","0.278","","","","","","0.979","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335328","8.0221","0.0004","10.1413","0.0007","20.3138","0.0009","90","","97.794","0.004","90","","1637.35","0.16","100","2","100","2","","","","","","","dichlormethane","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N3 O4 V -","- C18 H14 N3 O4 V -","- C72 H56 N12 O16 V4 -","4","1","","Suman Kundu; Suvendu Maity; Thomas Weyhermüller; Prasanta Ghosh","Oxidovanadium Catechol Complexes: Radical versus Non-Radical States and Redox Series","Inorganic Chemistry","2013","52","","7417","7430","10.1021/ic400166z","","","0.71073","MoKα","","0.0331","0.0281","","","0.0785","0.0826","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335329","13.9332","0.0008","9.8988","0.0005","18.173","0.0006","90","","96.545","0.004","90","","2490.1","0.2","100","2","100","2","","","","","","","dichloromethane, pentane","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 N3 O4 V -","- C26 H30 N3 O4 V -","- C104 H120 N12 O16 V4 -","4","1","","Suman Kundu; Suvendu Maity; Thomas Weyhermüller; Prasanta Ghosh","Oxidovanadium Catechol Complexes: Radical versus Non-Radical States and Redox Series","Inorganic Chemistry","2013","52","","7417","7430","10.1021/ic400166z","","","0.71073","MoKα","","0.0503","0.0387","","","0.0977","0.1036","","","","","","1.14","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335330","38.113","0.004","38.113","0.004","10.0207","0.0011","90","","90","","120","","12606","2","100","2","100","2","","","","","","","dichlormethane, methanole","5","R -3 :H","-R 3","148","","","","- C26 H30 N3 O4 V -","- C26 H30 N3 O4 V -","- C468 H540 N54 O72 V18 -","18","1","","Suman Kundu; Suvendu Maity; Thomas Weyhermüller; Prasanta Ghosh","Oxidovanadium Catechol Complexes: Radical versus Non-Radical States and Redox Series","Inorganic Chemistry","2013","52","","7417","7430","10.1021/ic400166z","","","0.71073","MoKα","","0.0401","0.0329","","","0.0901","0.0962","","","","","","1.056","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335331","14.305","0.002","17.23","0.002","13.792","0.002","90","","96.046","0.011","90","","3380.5","0.8","100","2","100","2","","","","","","","dichloromethane, methanole","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 N3 O4 V -","- C34 H46 N3 O4 V -","- C136 H184 N12 O16 V4 -","4","1","","Suman Kundu; Suvendu Maity; Thomas Weyhermüller; Prasanta Ghosh","Oxidovanadium Catechol Complexes: Radical versus Non-Radical States and Redox Series","Inorganic Chemistry","2013","52","","7417","7430","10.1021/ic400166z","","","0.71073","MoKα","","0.0686","0.0381","","","0.0825","0.0917","","","","","","1.018","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335332","24.12","0.02","4.203","0.003","15.668","0.013","90","","98.05","0.014","90","","1573","2","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Mn Pr4 Sb9 -","- Mn Pr4 Sb9 -","- Mn4 Pr16 Sb36 -","4","0.5","","Xiong Chen; Jin-Ni Shen; Li-Ming Wu; Ling Chen","A Ferrimagnetic Zintl Phase Pr4MnSb9: Synthesis, Structure, and Physical Properties","Inorganic Chemistry","2013","52","","7441","7447","10.1021/ic400209x","","","0.71073","MoKα","","0.0387","0.0355","","","0.0931","0.0975","","","","","","1.098","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335333","14.7507","0.0003","12.1244","0.0003","7.18753","0.00015","90","","92.997","0.002","90","","1283.68","0.05","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 I N3 -","- C13 H12 I N3 -","- C52 H48 I4 N12 -","4","1","","Gregory J. Barbante; Paul S. Francis; Conor F. Hogan; Peyman R. Kheradmand; David J. D. Wilson; Peter J. Barnard","Electrochemiluminescent Ruthenium(II) N-Heterocyclic Carbene Complexes: a Combined Experimental and Theoretical Study","Inorganic Chemistry","2013","52","","7448","7459","10.1021/ic400263r","","","1.54184","CuKα","","0.0305","0.0289","","","0.0744","0.0756","","","","","","1.022","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335334","14.003","0.0002","17.7221","0.0002","19.8032","0.0002","90","","133.803","0.001","90","","3546.85","0.09","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17.5 Br N3.5 -","- C20 H17.5 Br N3.5 -","- C160 H140 Br8 N28 -","8","2","","Gregory J. Barbante; Paul S. Francis; Conor F. Hogan; Peyman R. Kheradmand; David J. D. Wilson; Peter J. Barnard","Electrochemiluminescent Ruthenium(II) N-Heterocyclic Carbene Complexes: a Combined Experimental and Theoretical Study","Inorganic Chemistry","2013","52","","7448","7459","10.1021/ic400263r","","","1.54184","CuKα","","0.0355","0.0324","","","0.0889","0.0917","","","","","","1.036","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4335335","12.5569","0.0003","14.859","0.0003","20.3832","0.0004","90","","104.317","0.0019","90","","3685.04","0.14","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H29 F12 N7 P2 Ru -","- C35 H29 F12 N7 P2 Ru -","- C140 H116 F48 N28 P8 Ru4 -","4","2","","Gregory J. Barbante; Paul S. Francis; Conor F. Hogan; Peyman R. Kheradmand; David J. D. Wilson; Peter J. Barnard","Electrochemiluminescent Ruthenium(II) N-Heterocyclic Carbene Complexes: a Combined Experimental and Theoretical Study","Inorganic Chemistry","2013","52","","7448","7459","10.1021/ic400263r","","","0.71073","MoKα","","0.0377","0.0321","","","0.0729","0.0767","","","","","","1.023","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335336","40.444","0.008","10.14","0.002","19.104","0.004","90","","113.84","0.03","90","","7166","3","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 F12 N7 O P2 Ru -","- C33 H27 F12 N7 O P2 Ru -","- C264 H216 F96 N56 O8 P16 Ru8 -","8","1","","Gregory J. Barbante; Paul S. Francis; Conor F. Hogan; Peyman R. Kheradmand; David J. D. Wilson; Peter J. Barnard","Electrochemiluminescent Ruthenium(II) N-Heterocyclic Carbene Complexes: a Combined Experimental and Theoretical Study","Inorganic Chemistry","2013","52","","7448","7459","10.1021/ic400263r","","","0.71073","MoKα","","0.0382","0.0345","","","0.0876","0.0908","","","","","","1.061","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335337","9.7952","0.0001","18.7887","0.0003","22.5522","0.0003","90","","106.68","0.001","90","","3975.84","0.09","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 F12 N7 O P2 Ru -","- C40 H34 F12 N7 O P2 Ru -","- C160 H136 F48 N28 O4 P8 Ru4 -","4","1","","Gregory J. Barbante; Paul S. Francis; Conor F. Hogan; Peyman R. Kheradmand; David J. D. Wilson; Peter J. Barnard","Electrochemiluminescent Ruthenium(II) N-Heterocyclic Carbene Complexes: a Combined Experimental and Theoretical Study","Inorganic Chemistry","2013","52","","7448","7459","10.1021/ic400263r","","","0.71073","MoKα","","0.0557","0.0478","","","0.1292","0.1362","","","","","","1.033","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335338","18.525","0.0019","20.136","0.002","6.1995","0.0007","90","","90","","90","","2312.5","0.4","294","2","294","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C19 H20 Cu N4 O10 U -","- C19 H20 Cu N4 O10 U -","- C76 H80 Cu4 N16 O40 U4 -","4","0.5","","Soumavo Ghosh; Saptarshi Biswas; Antonio Bauzá; Miquel Barceló-Oliver; Antonio Frontera; Ashutosh Ghosh","Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations","Inorganic Chemistry","2013","52","","7508","7523","10.1021/ic400422d","","x-ray","0.71073","MoKα","","0.1132","0.095","","","0.2702","0.2824","","","","","","1.161","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335339","11.0318","0.0012","12.4097","0.0014","19.319","0.002","90","","90","","90","","2644.8","0.5","294","2","294","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 Cu N5 O10 U -","- C21 H23 Cu N5 O10 U -","- C84 H92 Cu4 N20 O40 U4 -","4","1","","Soumavo Ghosh; Saptarshi Biswas; Antonio Bauzá; Miquel Barceló-Oliver; Antonio Frontera; Ashutosh Ghosh","Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations","Inorganic Chemistry","2013","52","","7508","7523","10.1021/ic400422d","","x-ray","0.71073","MoKα","","0.0314","0.0279","","","0.0595","0.0607","","","","","","1.011","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335340","11.155","0.004","12.61","0.005","18.864","0.007","90","","90","","90","","2653.5","1.7","294","2","294","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Cu N4 O11 U -","- C22 H26 Cu N4 O11 U -","- C88 H104 Cu4 N16 O44 U4 -","4","1","","Soumavo Ghosh; Saptarshi Biswas; Antonio Bauzá; Miquel Barceló-Oliver; Antonio Frontera; Ashutosh Ghosh","Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations","Inorganic Chemistry","2013","52","","7508","7523","10.1021/ic400422d","","x-ray","0.71073","MoKα","","0.0773","0.0568","","","0.1296","0.1421","","","","","","1.003","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335341","9.2815","0.0004","15.4392","0.0007","9.3057","0.0004","90","","116.012","0.002","90","","1198.42","0.09","294","2","294","2","","","","","","","synthesis as described","6","P 1 21/m 1","-P 2yb","11","","","","- C19 H19 Cu N5 O10 U -","- C19 H19 Cu N5 O10 U -","- C38 H38 Cu2 N10 O20 U2 -","2","0.5","","Soumavo Ghosh; Saptarshi Biswas; Antonio Bauzá; Miquel Barceló-Oliver; Antonio Frontera; Ashutosh Ghosh","Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations","Inorganic Chemistry","2013","52","","7508","7523","10.1021/ic400422d","","x-ray","0.71073","MoKα","","0.0314","0.0249","","","0.059","0.0624","","","","","","1.022","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335342","18.635","0.005","25.264","0.005","24.446","0.005","90","","125.88","0.013","90","","9325","4","294","2","294","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C18.5 H19 Cu N4 O10.5 U -","- C18.5 H19 Cu N4 O10.5 U -","- C296 H304 Cu16 N64 O168 U16 -","16","4","","Soumavo Ghosh; Saptarshi Biswas; Antonio Bauzá; Miquel Barceló-Oliver; Antonio Frontera; Ashutosh Ghosh","Use of Metalloligands [CuL] (H2L = Salen Type Di-Schiff Bases) in the Formation of Heterobimetallic Copper(II)-Uranyl Complexes: Photophysical Investigations, Structural Variations, and Theoretical Calculations","Inorganic Chemistry","2013","52","","7508","7523","10.1021/ic400422d","","x-ray","0.71073","MoKα","","0.1179","0.065","","","0.1585","0.1858","","","","","","1.046","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335343","7.6021","0.0005","33.502","0.002","20.6974","0.0012","90","","90","","90","","5271.3","0.6","200","2","200","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","[(9-(2'-oxy-3'-methylthio-5'-tert-butylphenyl)-6-methylthio-3-acetyl-5,7,8- triazanona-3,6,8-trienato(-)-2'-olato(-) kappaO,kappaO',kappaN^5^, kappaN^8^) nickel(II)] pentan-2,4-dione solvate","","- C22.5 H29 N3 Ni O4 S2 -","- C22.5 H29 N3 Ni O4 S2 -","- C180 H232 N24 Ni8 O32 S16 -","8","1","","Vladimir B. Arion; Sonja Platzer; Peter Rapta; Peter Machata; Martin Breza; Daniel Vegh; Lothar Dunsch; Joshua Telser; Sergiu Shova; Tatiana C.O. Mac Leod; Armando J.L. Pombeiro","Marked Stabilization of Redox States and Enhanced Catalytic Activity in Galactose Oxidase Models Based on Transition Metal S-Methylisothiosemicarbazonates with -SR Group in Ortho Position to the Phenolic Oxygen","Inorganic Chemistry","2013","52","","7524","7540","10.1021/ic4004966","","","0.71073","MoKα","","0.0905","0.0812","","","0.2256","0.2314","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335344","17.0432","0.0017","7.7185","0.0007","32.514","0.003","90","","99.084","0.008","90","","4223.5","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","9-(2'-Hydroxy-3'-methylthio-5'-tert-butylphenyl)-6-methylthio-3-acetyl- 5,7,8-triazanona-3,6,8-trien-2-one","","- C20 H27 N3 O3 S2 -","- C20 H27 N3 O3 S2 -","- C160 H216 N24 O24 S16 -","8","1","","Vladimir B. Arion; Sonja Platzer; Peter Rapta; Peter Machata; Martin Breza; Daniel Vegh; Lothar Dunsch; Joshua Telser; Sergiu Shova; Tatiana C.O. Mac Leod; Armando J.L. Pombeiro","Marked Stabilization of Redox States and Enhanced Catalytic Activity in Galactose Oxidase Models Based on Transition Metal S-Methylisothiosemicarbazonates with -SR Group in Ortho Position to the Phenolic Oxygen","Inorganic Chemistry","2013","52","","7524","7540","10.1021/ic4004966","","","0.71073","MoKα","","0.0771","0.0513","","","0.1206","0.1322","","","","","","1.026","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335345","26.6516","0.0018","6.8783","0.0004","26.8644","0.0019","90","","98.23","0.003","90","","4874","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[(9-(2'-oxy-3'-methylthio-5'-tert-butylphenyl)-6-methylthio-3-acetyl-5,7,8- triazanona-3,6,8-trienato(-)-2'-olato(-) kappaO,kappaO',kappaN^5^, kappaN^8^) copper(II)] pentan-2,4-dione solvate","","- C22.5 H29 Cu N3 O4 S2 -","- C22.5 H29 Cu N3 O4 S2 -","- C180 H232 Cu8 N24 O32 S16 -","8","1","","Vladimir B. Arion; Sonja Platzer; Peter Rapta; Peter Machata; Martin Breza; Daniel Vegh; Lothar Dunsch; Joshua Telser; Sergiu Shova; Tatiana C.O. Mac Leod; Armando J.L. Pombeiro","Marked Stabilization of Redox States and Enhanced Catalytic Activity in Galactose Oxidase Models Based on Transition Metal S-Methylisothiosemicarbazonates with -SR Group in Ortho Position to the Phenolic Oxygen","Inorganic Chemistry","2013","52","","7524","7540","10.1021/ic4004966","","","0.71073","MoKα","","0.0467","0.0364","","","0.0898","0.0948","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335346","9.4262","0.0016","13.876","0.003","15.947","0.004","90","","92.035","0.007","90","","2084.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(9-(2'-oxy-3'-methylthio-5'-tert-butylphenyl)-6-methylthio-3-acetyl-5,7,8- triazanona-3,6,8-trienato(-)-2'-olato(-) kappaO,kappaO',kappaN^5^, kappaN^8^) zinc(II)]","","- C40 H50 N6 O6 S4 Zn2 -","- C40 H50 N6 O6 S4 Zn2 -","- C80 H100 N12 O12 S8 Zn4 -","2","0.5","","Vladimir B. Arion; Sonja Platzer; Peter Rapta; Peter Machata; Martin Breza; Daniel Vegh; Lothar Dunsch; Joshua Telser; Sergiu Shova; Tatiana C.O. Mac Leod; Armando J.L. Pombeiro","Marked Stabilization of Redox States and Enhanced Catalytic Activity in Galactose Oxidase Models Based on Transition Metal S-Methylisothiosemicarbazonates with -SR Group in Ortho Position to the Phenolic Oxygen","Inorganic Chemistry","2013","52","","7524","7540","10.1021/ic4004966","","","0.71073","MoKα","","0.1086","0.0665","","","0.1388","0.1514","","","","","","1.082","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335347","19.402","0.003","17.236","0.002","7.4354","0.0009","90","","96.593","0.009","90","","2470","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(9-(2'-oxy-3'-phenylthio-5'-tert-butylphenyl)-6-methylthio-3-acetyl-5,7,8- triazanona-3,6,8-trienato(-)-2'-olato(-) kappaO,kappaO',kappaN^5^, kappaN^8^) nickel(II)]","","- C25 H27 N3 Ni O3 S2 -","- C25 H27 N3 Ni O3 S2 -","- C100 H108 N12 Ni4 O12 S8 -","4","1","","Vladimir B. Arion; Sonja Platzer; Peter Rapta; Peter Machata; Martin Breza; Daniel Vegh; Lothar Dunsch; Joshua Telser; Sergiu Shova; Tatiana C.O. Mac Leod; Armando J.L. Pombeiro","Marked Stabilization of Redox States and Enhanced Catalytic Activity in Galactose Oxidase Models Based on Transition Metal S-Methylisothiosemicarbazonates with -SR Group in Ortho Position to the Phenolic Oxygen","Inorganic Chemistry","2013","52","","7524","7540","10.1021/ic4004966","","","0.71073","MoKα","","0.1046","0.0651","","","0.1467","0.1688","","","","","","1.048","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335348","9.3825","0.001","14.1324","0.0017","11.7395","0.0015","90","","101.421","0.003","90","","1525.8","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Co N8 O10 -","- C30 H32 Co N8 O10 -","- C60 H64 Co2 N16 O20 -","2","0.5","","Ian A. Gass; Subrata Tewary; Ayman Nafady; Nicholas F. Chilton; Christopher J. Gartshore; Mousa Asadi; David W. Lupton; Boujemaa Moubaraki; Alan M. Bond; John F. Boas; Si-Xuan Guo; Gopalan Rajaraman; Keith S. Murray","Observation of Ferromagnetic Exchange, Spin Crossover, Reductively Induced Oxidation, and Field-Induced Slow Magnetic Relaxation in Monomeric Cobalt Nitroxides","Inorganic Chemistry","2013","52","","7557","7572","10.1021/ic400565h","","","0.71073","MoKα","","0.0945","0.0665","","","0.1749","0.1925","","","","","","1.015","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335349","9.4583","0.0005","14.0862","0.0006","12.089","0.0006","90","","101.495","0.005","90","","1578.33","0.14","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Co N8 O10 -","- C30 H32 Co N8 O10 -","- C60 H64 Co2 N16 O20 -","2","0.5","","Ian A. Gass; Subrata Tewary; Ayman Nafady; Nicholas F. Chilton; Christopher J. Gartshore; Mousa Asadi; David W. Lupton; Boujemaa Moubaraki; Alan M. Bond; John F. Boas; Si-Xuan Guo; Gopalan Rajaraman; Keith S. Murray","Observation of Ferromagnetic Exchange, Spin Crossover, Reductively Induced Oxidation, and Field-Induced Slow Magnetic Relaxation in Monomeric Cobalt Nitroxides","Inorganic Chemistry","2013","52","","7557","7572","10.1021/ic400565h","","","0.71073","MoKα","","0.06","0.0444","","","0.1143","0.1247","","","","","","1.036","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335350","9.4854","0.0013","14.0059","0.0017","12.346","0.002","90","","101.807","0.013","90","","1605.5","0.4","353","2","353","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Co N8 O10 -","- C30 H32 Co N8 O10 -","- C60 H64 Co2 N16 O20 -","2","0.5","","Ian A. Gass; Subrata Tewary; Ayman Nafady; Nicholas F. Chilton; Christopher J. Gartshore; Mousa Asadi; David W. Lupton; Boujemaa Moubaraki; Alan M. Bond; John F. Boas; Si-Xuan Guo; Gopalan Rajaraman; Keith S. Murray","Observation of Ferromagnetic Exchange, Spin Crossover, Reductively Induced Oxidation, and Field-Induced Slow Magnetic Relaxation in Monomeric Cobalt Nitroxides","Inorganic Chemistry","2013","52","","7557","7572","10.1021/ic400565h","","","0.71073","MoKα","","0.1121","0.0584","","","0.1281","0.1582","","","","","","1.052","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335351","12.4781","0.0014","15.894","0.0018","23.212","0.003","90","","104.92","0.004","90","","4448.4","0.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 B Co N6 O4 -","- C54 H52 B Co N6 O4 -","- C216 H208 B4 Co4 N24 O16 -","4","1","","Ian A. Gass; Subrata Tewary; Ayman Nafady; Nicholas F. Chilton; Christopher J. Gartshore; Mousa Asadi; David W. Lupton; Boujemaa Moubaraki; Alan M. Bond; John F. Boas; Si-Xuan Guo; Gopalan Rajaraman; Keith S. Murray","Observation of Ferromagnetic Exchange, Spin Crossover, Reductively Induced Oxidation, and Field-Induced Slow Magnetic Relaxation in Monomeric Cobalt Nitroxides","Inorganic Chemistry","2013","52","","7557","7572","10.1021/ic400565h","","","0.71073","MoKα","","0.1243","0.0667","","","0.1344","0.1605","","","","","","0.999","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335352","12.7116","0.0009","17.531","0.0011","17.1311","0.0011","90","","90.489","0.001","90","","3817.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cl3 N3 O2 Pt -","- C40 H48 Cl3 N3 O2 Pt -","- C160 H192 Cl12 N12 O8 Pt4 -","4","1","","Zhongjing Li; Ekaterina Badaeva; Angel Ugrinov; Svetlana Kilina; Wenfang Sun","Platinum Chloride Complexes Containing 6-[9,9-Di(2-ethylhexyl)-7-R-9H-fluoren-2-yl]-2,2'-bipyridine Ligand (R = NO2, CHO, Benzothiazol-2-yl,n-Bu, Carbazol-9-yl, NPh2): Tunable Photophysics and Reverse Saturable Absorption","Inorganic Chemistry","2013","52","","7578","7592","10.1021/ic400683u","","","0.71073","MoKα","","0.0529","0.0317","","","0.0731","0.0827","","","","","","1.022","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335353","18.5058","0.0018","9.3837","0.0009","18.6119","0.0018","90","","90.491","0.002","90","","3231.9","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 B Ir N2 O5 P -","- C32 H38 B Ir N2 O5 P -","- C128 H152 B4 Ir4 N8 O20 P4 -","4","1","","Angel L. Serrano; Miguel A. Casado; José A. López; Cristina Tejel","Rhodium and Iridium Complexes with a New Scorpionate Phosphane Ligand","Inorganic Chemistry","2013","52","","7593","7607","10.1021/ic400684s","","","0.71073","MoKα","","0.0704","0.0402","","","0.0793","0.0896","","","","","","1.03","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335354","10.856","0.005","16.608","0.007","32.292","0.012","90","","90","","90","","5822","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 B Ir N2 P -","- C33 H44 B Ir N2 P -","- C264 H352 B8 Ir8 N16 P8 -","8","1","","Angel L. Serrano; Miguel A. Casado; José A. López; Cristina Tejel","Rhodium and Iridium Complexes with a New Scorpionate Phosphane Ligand","Inorganic Chemistry","2013","52","","7593","7607","10.1021/ic400684s","","","0.71073","MoKα","","0.0783","0.0483","","","0.0818","0.0898","","","","","","1.055","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335355","11.9199","0.0019","16.647","0.003","22.872","0.004","90","","104.359","0.003","90","","4396.7","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 B2 N4 O2 P2 Rh2 -","- C46 H50 B2 N4 O2 P2 Rh2 -","- C184 H200 B8 N16 O8 P8 Rh8 -","4","1","","Angel L. Serrano; Miguel A. Casado; José A. López; Cristina Tejel","Rhodium and Iridium Complexes with a New Scorpionate Phosphane Ligand","Inorganic Chemistry","2013","52","","7593","7607","10.1021/ic400684s","","","0.71073","MoKα","","0.0874","0.0567","","","0.0927","0.1014","","","","","","1.07","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335356","11.203","0.002","24.429","0.004","13.786","0.002","90","","102.177","0.003","90","","3688","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H40 B N2 O P2 Rh -","- C41 H40 B N2 O P2 Rh -","- C164 H160 B4 N8 O4 P8 Rh4 -","4","1","","Angel L. Serrano; Miguel A. Casado; José A. López; Cristina Tejel","Rhodium and Iridium Complexes with a New Scorpionate Phosphane Ligand","Inorganic Chemistry","2013","52","","7593","7607","10.1021/ic400684s","","","0.71073","MoKα","","0.0653","0.0407","","","0.0841","0.0939","","","","","","0.998","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335357","11.6709","0.001","16.7648","0.0014","21.993","0.002","90","","98.245","0.002","90","","4258.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H69 N6 O7 P Pd3 -","- C33 H69 N6 O7 P Pd3 -","- C132 H276 N24 O28 P4 Pd12 -","4","1","","Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar","Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents","Inorganic Chemistry","2013","52","","7608","7614","10.1021/ic400686e","","","0.71073","MoKα","","0.0641","0.0387","","","0.0761","0.0847","","","","","","1.021","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335358","9.221","0.0004","18.3933","0.0009","8.1667","0.0004","90","","90","","90","","1385.11","0.11","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H26 N3 O P -","- C9 H24 N3 O P -","- C36 H96 N12 O4 P4 -","4","0.5","","Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar","Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents","Inorganic Chemistry","2013","52","","7608","7614","10.1021/ic400686e","","","0.71073","MoKα","","0.0708","0.0443","","","0.1121","0.1284","","","","","","1.02","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335359","15.899","0.002","17.194","0.003","9.5281","0.0014","90","","90","","90","","2604.7","0.7","100","2","100","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C18 H36 N3 O7 P Pd3 -","- C18 H37 N3 O7 P Pd3 -","- C72 H148 N12 O28 P4 Pd12 -","4","0.5","","Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar","Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents","Inorganic Chemistry","2013","52","","7608","7614","10.1021/ic400686e","","","0.71073","MoKα","","0.0185","0.0179","","","0.0431","0.0433","","","","","","1.147","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335360","15.31","0.002","21.694","0.002","19.245","0.003","90","","90","","90","","6391.9","1.4","100","2","100","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C48 H86 N6 O15 P2 Pd6 -","- C48 H84 N6 O15 P2 Pd6 -","- C192 H336 N24 O60 P8 Pd24 -","4","0.5","","Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar","Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents","Inorganic Chemistry","2013","52","","7608","7614","10.1021/ic400686e","","","0.71073","MoKα","","0.1158","0.06","","","0.1135","0.1338","","","","","","1.002","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335361","14.8019","0.0016","18.678","0.002","38.14","0.004","90","","90.015","0.004","90","","10544.6","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H64 N6 O16 P2 Pd6 -","- C30 H60 N6 O16 P2 Pd6 -","- C240 H480 N48 O128 P16 Pd48 -","8","1","","Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar","Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents","Inorganic Chemistry","2013","52","","7608","7614","10.1021/ic400686e","","","0.71073","MoKα","","0.0589","0.0474","","","0.0948","0.0988","","","","","","1.108","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335362","11.9132","0.0006","32.9964","0.0014","12.2459","0.0005","90","","115.837","0.001","90","","4332.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H60 N6 O12 P2 Pd6 -","- C28 H60 N6 O12 P2 Pd6 -","- C112 H240 N24 O48 P8 Pd24 -","4","1","","Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar","Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents","Inorganic Chemistry","2013","52","","7608","7614","10.1021/ic400686e","","","0.71073","MoKα","","0.0544","0.035","","","0.0614","0.0672","","","","","","1.017","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335363","24.812","0.003","9.7381","0.0014","23.628","0.003","90","","120.349","0.002","90","","4926.7","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H68 N6 O14 P2 Pd6 S2 -","- C30 H68 N6 O14 P2 Pd6 S2 -","- C120 H272 N24 O56 P8 Pd24 S8 -","4","0.5","","Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar","Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents","Inorganic Chemistry","2013","52","","7608","7614","10.1021/ic400686e","","","0.71073","MoKα","","0.0541","0.0373","","","0.081","0.0887","","","","","","1.037","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335364","17.0471","0.0016","17.0471","0.0016","22.921","0.003","90","","90","","120","","5768.5","1.1","100","2","100","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C42 H85 N6 O9 P Pd3 -","- C42 H81 N6 O9.025 P Pd3 -","- C168 H324 N24 O36.1 P4 Pd12 -","4","0.333333","","Arvind K. Gupta; S. Arun Dixith Reddy; Ramamoorthy Boomishankar","Facile Formation of Stable Tris(imido)phosphate Trianions as Their Tri- and Hexanuclear Pd(II) Complexes in Protic Solvents","Inorganic Chemistry","2013","52","","7608","7614","10.1021/ic400686e","","","0.71073","MoKα","","0.1243","0.0614","","","0.1843","0.225","","","","","","0.88","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335365","12.3103","0.0002","12.7533","0.0002","15.2151","0.0011","90","","102.026","0.007","90","","2336.3","0.19","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl Mn N6 O8 -","- C20 H20 Cl Mn N6 O8 -","- C80 H80 Cl4 Mn4 N24 O32 -","4","1","","Karin J. Young; Michael K. Takase; Gary W. Brudvig","An Anionic N-Donor Ligand Promotes Manganese-Catalyzed Water Oxidation","Inorganic Chemistry","2013","52","","7615","7622","10.1021/ic400691e","","","1.54187","CuKα","","0.0889","0.0789","","","0.2208","0.2354","","","","","","1.117","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335366","14.2882","0.0004","14.3346","0.0004","16.6764","0.0003","89.81","0.002","67.121","0.002","76.957","0.002","3052.1","0.14","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H100 Cl6 Cu9 N24 O42 S4 -","- C104 H100 Cl6 Cu9 N24 O42 S4 -","- C104 H100 Cl6 Cu9 N24 O42 S4 -","1","0.5","","Elzbieta Gumienna-Kontecka; Irina A. Golenya; Agnieszka Szebesczyk; Matti Haukka; Roland Krämer; Igor O. Fritsky","Coordination Diversity in Mono- and Oligonuclear Copper(II) Complexes of Pyridine-2-Hydroxamic and Pyridine-2,6-Dihydroxamic Acids","Inorganic Chemistry","2013","52","","7633","7644","10.1021/ic4007229","","","0.71073","MoKα","","0.0884","0.0542","","","0.1314","0.1503","","","","","","1.026","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335367","16.95","0.001","13.8215","0.001","17.9208","0.0014","90","","107.71","0.004","90","","3999.4","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 Cl2 Cu2 N8 O14 -","- C30 H21 Cl2 Cu2 N8 O14 -","- C120 H84 Cl8 Cu8 N32 O56 -","4","0.5","","Elzbieta Gumienna-Kontecka; Irina A. Golenya; Agnieszka Szebesczyk; Matti Haukka; Roland Krämer; Igor O. Fritsky","Coordination Diversity in Mono- and Oligonuclear Copper(II) Complexes of Pyridine-2-Hydroxamic and Pyridine-2,6-Dihydroxamic Acids","Inorganic Chemistry","2013","52","","7633","7644","10.1021/ic4007229","","","0.71073","MoKα","","0.1191","0.0797","","","0.2222","0.2491","","","","","","1.063","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335368","21.2271","0.0007","7.7945","0.0003","22.9648","0.0006","90","","94.739","0.002","90","","3786.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H51 Cl2 Cu3 N9 O12 -","- C25 H51 Cl2 Cu3 N9 O12 -","- C100 H204 Cl8 Cu12 N36 O48 -","4","1","","Elzbieta Gumienna-Kontecka; Irina A. Golenya; Agnieszka Szebesczyk; Matti Haukka; Roland Krämer; Igor O. Fritsky","Coordination Diversity in Mono- and Oligonuclear Copper(II) Complexes of Pyridine-2-Hydroxamic and Pyridine-2,6-Dihydroxamic Acids","Inorganic Chemistry","2013","52","","7633","7644","10.1021/ic4007229","","","0.71073","MoKα","","0.0745","0.0487","","","0.1158","0.1309","","","","","","1.048","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335369","16.308","0.004","28.828","0.007","39.028","0.01","90","","90","","90","","18348","8","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C18 H18 Eu N0.5 O10 -","- C18 H7 Eu N0.5 O10 -","- C576 H224 Eu32 N16 O320 -","32","1","","Yan-Li Gai; Fei-Long Jiang; Lian Chen; Yang Bu; Kong-Zhao Su; Shaeel A. Al-Thabaiti; Mao-Chun Hong","Photophysical Studies of Europium Coordination Polymers Based on a Tetracarboxylate Ligand","Inorganic Chemistry","2013","52","","7658","7665","10.1021/ic400777c","","","0.71073","MoKα","","0.0341","0.0319","","","0.0822","0.084","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335370","10.984","0.004","16.101","0.006","19.692","0.008","74.149","0.014","74.035","0.014","72.054","0.014","3117","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H25.5 Eu2 N0.5 O17.5 -","- C45.5 H23.5 Eu2 N0.5 O17.5 -","- C91 H47 Eu4 N O35 -","2","1","","Yan-Li Gai; Fei-Long Jiang; Lian Chen; Yang Bu; Kong-Zhao Su; Shaeel A. Al-Thabaiti; Mao-Chun Hong","Photophysical Studies of Europium Coordination Polymers Based on a Tetracarboxylate Ligand","Inorganic Chemistry","2013","52","","7658","7665","10.1021/ic400777c","","","0.71073","MoKα","","0.0758","0.0518","","","0.149","0.1599","","","","","","0.979","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335371","7.067","0.003","10.845","0.005","16.579","0.008","82.204","0.011","87.236","0.009","87.007","0.009","1256.1","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23.5 H24.5 Eu N0.5 O13.5 -","- C23.5 H17.5 Eu N0.5 O13.5 -","- C47 H35 Eu2 N O27 -","2","1","","Yan-Li Gai; Fei-Long Jiang; Lian Chen; Yang Bu; Kong-Zhao Su; Shaeel A. Al-Thabaiti; Mao-Chun Hong","Photophysical Studies of Europium Coordination Polymers Based on a Tetracarboxylate Ligand","Inorganic Chemistry","2013","52","","7658","7665","10.1021/ic400777c","","","0.71073","MoKα","","0.0393","0.0351","","","0.0804","0.0832","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335372","11.6927","0.0002","23.6681","0.0004","11.9999","0.0002","90","","90.623","0.001","90","","3320.7","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br F10 N -","- C16 H10 Br F10 N -","- C128 H80 Br8 F80 N8 -","8","2","","Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen","Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions","Inorganic Chemistry","2013","52","","7666","7672","10.1021/ic4008087","","","0.71073","MoKα","","0.051","0.0335","","","0.0618","0.0676","","","","","","1.04","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335373","6.9241","0.0002","12.7624","0.0003","16.727","0.0004","111.618","0.001","90.966","0.002","93.449","0.002","1370.46","0.06","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H26 Br Cl F10 N2 O S -","- C22 H26 Br Cl F10 N2 O S -","- C44 H52 Br2 Cl2 F20 N4 O2 S2 -","2","1","","Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen","Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions","Inorganic Chemistry","2013","52","","7666","7672","10.1021/ic4008087","","","0.71073","MoKα","","0.0436","0.0347","","","0.0851","0.0897","","","","","","1.037","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335374","6.1748","0.0002","14.5389","0.0004","32.5649","0.0009","90","","90","","90","","2923.51","0.15","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H61.6 F20 N4 O16.4 S2 -","- C44 H61.6 F20 N4 O16.4 S2 -","- C88 H123.2 F40 N8 O32.8 S4 -","2","0.5","","Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen","Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions","Inorganic Chemistry","2013","52","","7666","7672","10.1021/ic4008087","","","0.71073","MoKα","","0.0584","0.0463","","","0.108","0.1136","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335375","8.3591","0.0002","9.1915","0.0002","16.6379","0.0004","104.986","0.002","90.543","0.002","95.275","0.002","1228.89","0.05","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 Br2 F10 N2 O -","- C21 H24 Br2 F10 N2 O -","- C42 H48 Br4 F20 N4 O2 -","2","1","","Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen","Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions","Inorganic Chemistry","2013","52","","7666","7672","10.1021/ic4008087","","","0.71073","MoKα","","0.0484","0.0344","","","0.0698","0.0743","","","","","","1.084","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335376","7.6447","0.0001","12.1711","0.0002","25.2767","0.0004","90","","93.019","0.001","90","","2348.59","0.06","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Br2 F5 N2 O -","- C22 H27 Br2 F5 N2 O -","- C88 H108 Br8 F20 N8 O4 -","4","1","","Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen","Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions","Inorganic Chemistry","2013","52","","7666","7672","10.1021/ic4008087","","","0.71073","MoKα","","0.0299","0.0235","","","0.0546","0.0568","","","","","","1.023","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335377","9.8212","0.0003","11.2422","0.0003","12.947","0.0004","85.894","0.003","78.634","0.002","68.67","0.002","1305.47","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 F15 N3 -","- C27 H18 F15 N3 -","- C54 H36 F30 N6 -","2","1","","Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen","Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions","Inorganic Chemistry","2013","52","","7666","7672","10.1021/ic4008087","","","0.71073","MoKα","","0.0439","0.0341","","","0.0772","0.0824","","","","","","1.039","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335378","15.1854","0.0003","19.5708","0.0003","20.1582","0.0003","90","","90","","90","","5990.82","0.17","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H21 F15 I N3 O -","- C28 H21 F15 I N3 O -","- C224 H168 F120 I8 N24 O8 -","8","1","","Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen","Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions","Inorganic Chemistry","2013","52","","7666","7672","10.1021/ic4008087","","","0.71073","MoKα","","0.0632","0.0416","","","0.0738","0.0802","","","","","","1.106","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335379","10.0752","0.0003","14.2025","0.0004","10.1524","0.0003","90","","92.019","0.002","90","","1451.84","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 F20 N2 -","- C30 H12 F20 N2 -","- C60 H24 F40 N4 -","2","0.5","","Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen","Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions","Inorganic Chemistry","2013","52","","7666","7672","10.1021/ic4008087","","","0.71073","MoKα","","0.0732","0.0444","","","0.0837","0.0914","","","","","","1.034","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335380","14.2781","0.0002","17.8195","0.0003","15.4394","0.0002","90","","109.004","0.001","90","","3714.12","0.1","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H15 Cl3 F20 I2 N2 -","- C31 H15 Cl3 F20 I2 N2 -","- C124 H60 Cl12 F80 I8 N8 -","4","1","","Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen","Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions","Inorganic Chemistry","2013","52","","7666","7672","10.1021/ic4008087","","","0.71073","MoKα","","0.0451","0.0327","","","0.0595","0.0641","","","","","","1.03","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335381","7.1359","0.0002","12.644","0.0003","16.7753","0.0004","111.364","0.001","91.714","0.001","92.93","0.001","1405.81","0.06","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 Br2 F10 N2 O S -","- C22 H26 Br2 F10 N2 O S -","- C44 H52 Br4 F20 N4 O2 S2 -","2","1","","Michael Giese; Markus Albrecht; Simon Steike; Anton Ackermann; Arto Valkonen; Kari Rissanen","Di-, Tri-, and Tetra(pentafluorophenyl) Derivatives for Oligotopic Anion-π Interactions","Inorganic Chemistry","2013","52","","7666","7672","10.1021/ic4008087","","","0.71073","MoKα","","0.0641","0.053","","","0.1467","0.1551","","","","","","1.055","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335382","17.975","0.003","34.567","0.005","21.848","0.003","90","","102.498","0.002","90","","13253","3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70 H40 K18 Li4 O167 P10 U20 -","- C70 H40 K18 Li4 O167 P10 U20 -","- C140 H80 K36 Li8 O334 P20 U40 -","2","0.5","","Pius O. Adelani; Michael Ozga; Christine M. Wallace; Jie Qiu; Jennifer E. S. Szymanowski; Ginger E. Sigmon; Peter C. Burns","Hybrid Uranyl-Carboxyphosphonate Cage Clusters","Inorganic Chemistry","2013","52","","7673","7679","10.1021/ic4008262","","","0.71073","MoKα","","0.0988","0.0646","","","0.1951","0.2078","","","","","","1.665","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335383","35.433","0.003","24.29","0.002","32.991","0.003","90","","104.549","0.001","90","","27484","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H32 K3 O175 P8 U24 -","- C56 H32 K3 O175 P8 U24 -","- C224 H128 K12 O700 P32 U96 -","4","0.5","","Pius O. Adelani; Michael Ozga; Christine M. Wallace; Jie Qiu; Jennifer E. S. Szymanowski; Ginger E. Sigmon; Peter C. Burns","Hybrid Uranyl-Carboxyphosphonate Cage Clusters","Inorganic Chemistry","2013","52","","7673","7679","10.1021/ic4008262","","","0.71073","MoKα","","0.1564","0.0741","","","0.2172","0.2472","","","","","","1.212","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335384","12.7928","0.0003","14.4161","0.0004","14.5891","0.0004","90","","104.279","0.001","90","","2607.43","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 Cl2 N4 P2 Pd2 -","- C52 H72 Cl2 N4 P2 Pd2 -","- C104 H144 Cl4 N8 P4 Pd4 -","2","0.5","","Daniela Förster; Jan Nickolaus; Martin Nieger; Zoltán Benkö; Andreas W. Ehlers; Dietrich Gudat","Donor-Free Phosphenium-Metal(0)-Halides with Unsymmetrically Bridging Phosphenium Ligands","Inorganic Chemistry","2013","52","","7699","7708","10.1021/ic400886b","","","0.71073","MoKα","","0.027","0.021","","","0.0489","0.052","","","","","","1.053","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335385","12.916","0.002","13.47","0.002","14.903","0.003","90","","104.63","0.01","90","","2508.7","0.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis(1,3-di(2,6-diisopropylphenyl)-1,3,2-diazaphospholemium)diplatinum(0) dichloride","","- C52 H72 Cl2 N4 P2 Pt2 -","- C52 H72 Cl2 N4 P2 Pt2 -","- C104 H144 Cl4 N8 P4 Pt4 -","2","0.5","","Daniela Förster; Jan Nickolaus; Martin Nieger; Zoltán Benkö; Andreas W. Ehlers; Dietrich Gudat","Donor-Free Phosphenium-Metal(0)-Halides with Unsymmetrically Bridging Phosphenium Ligands","Inorganic Chemistry","2013","52","","7699","7708","10.1021/ic400886b","","","0.71073","MoKα","","0.1025","0.0612","","","0.1382","0.1589","","","","","","1.04","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335386","12.2026","0.0007","14.6151","0.0008","16.4878","0.0009","78.787","0.001","80.603","0.001","71.376","0.001","2717.1","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H89 N O4 Zr -","- C55 H89 N O5 Zr -","- C110 H178 N2 O10 Zr2 -","2","1","","Lan-Chang Liang; Chia-Cheng Chien; Ming-Tsz Chen; Sheng-Ta Lin","Zirconium and Hafnium Complexes Containing N-Alkyl-Substituted Amine Biphenolate Ligands: Unexpected Ligand Degradation and Divergent Complex Constitutions Governed by N-Alkyls","Inorganic Chemistry","2013","52","","7709","7716","10.1021/ic400891b","","","0.71073","MoKα","","0.0594","0.0527","","","0.1491","0.1537","","","","","","1.07","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335387","12.2961","0.0004","14.8938","0.0005","18.2019","0.0007","67.378","0.002","82.975","0.002","84.909","0.002","3050.69","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H89 Hf N O5 -","- C55 H89 Hf N O5 -","- C110 H178 Hf2 N2 O10 -","2","1","","Lan-Chang Liang; Chia-Cheng Chien; Ming-Tsz Chen; Sheng-Ta Lin","Zirconium and Hafnium Complexes Containing N-Alkyl-Substituted Amine Biphenolate Ligands: Unexpected Ligand Degradation and Divergent Complex Constitutions Governed by N-Alkyls","Inorganic Chemistry","2013","52","","7709","7716","10.1021/ic400891b","","","0.71073","MoKα","","0.026","0.0235","","","0.0669","0.068","","","","","","1.126","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335388","11.8648","0.0008","15.7534","0.001","18.8955","0.0017","87.127","0.004","82.576","0.004","86.994","0.004","3494","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H102 N2 O4 Zr -","- C66 H102 N2 O4 Zr -","- C132 H204 N4 O8 Zr2 -","2","1","","Lan-Chang Liang; Chia-Cheng Chien; Ming-Tsz Chen; Sheng-Ta Lin","Zirconium and Hafnium Complexes Containing N-Alkyl-Substituted Amine Biphenolate Ligands: Unexpected Ligand Degradation and Divergent Complex Constitutions Governed by N-Alkyls","Inorganic Chemistry","2013","52","","7709","7716","10.1021/ic400891b","","","0.71073","MoKα","","0.0874","0.0667","","","0.1891","0.2042","","","","","","1.038","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335389","11.729","0.002","15.619","0.003","19.202","0.004","84.894","0.002","83.955","0.003","87.971","0.003","3483.1","1.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H102 N O4 Zr -","- C66 H102 N2 O4 Zr -","- C132 H204 N4 O8 Zr2 -","2","1","","Lan-Chang Liang; Chia-Cheng Chien; Ming-Tsz Chen; Sheng-Ta Lin","Zirconium and Hafnium Complexes Containing N-Alkyl-Substituted Amine Biphenolate Ligands: Unexpected Ligand Degradation and Divergent Complex Constitutions Governed by N-Alkyls","Inorganic Chemistry","2013","52","","7709","7716","10.1021/ic400891b","","","0.71073","MoKα","","0.0623","0.0526","","","0.1555","0.1643","","","","","","1.1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335390","11.7292","0.0004","15.5806","0.0005","19.204","0.0006","84.927","0.001","84.142","0.001","87.943","0.001","3476.2","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H102 Hf N2 O4 -","- C66 H102 Hf N2 O4 -","- C132 H204 Hf2 N4 O8 -","2","1","","Lan-Chang Liang; Chia-Cheng Chien; Ming-Tsz Chen; Sheng-Ta Lin","Zirconium and Hafnium Complexes Containing N-Alkyl-Substituted Amine Biphenolate Ligands: Unexpected Ligand Degradation and Divergent Complex Constitutions Governed by N-Alkyls","Inorganic Chemistry","2013","52","","7709","7716","10.1021/ic400891b","","","0.71073","MoKα","","0.0373","0.0342","","","0.1062","0.1094","","","","","","1.132","","","","has coordinates,has disorder","179456","2020-10-21","18:00:00",""
"4335391","10.60656","0.00042","12.10233","0.00051","12.87743","0.0005","98.8627","0.0027","94.0424","0.0025","55.167","0.0022","1340.3","0.1","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N2 P Pt -","- C33 H27 N2 P Pt -","- C66 H54 N4 P2 Pt2 -","2","1","","Antonio Zucca; Diletta Cordeschi; Luca Maidich; Maria Itria Pilo; Elisabetta Masolo; Sergio Stoccoro; Maria Agostina Cinellu; Simona Galli","Rollover Cyclometalation with 2-(2'-Pyridyl)quinoline","Inorganic Chemistry","2013","52","","7717","7731","10.1021/ic400908f","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335392","17.1226","0.0015","8.30683","0.00064","9.75239","0.00098","90","","96.502","0.006","90","","1378.2","0.2","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O Pt -","- C16 H12 N2 O Pt -","- C64 H48 N8 O4 Pt4 -","4","2","","Antonio Zucca; Diletta Cordeschi; Luca Maidich; Maria Itria Pilo; Elisabetta Masolo; Sergio Stoccoro; Maria Agostina Cinellu; Simona Galli","Rollover Cyclometalation with 2-(2'-Pyridyl)quinoline","Inorganic Chemistry","2013","52","","7717","7731","10.1021/ic400908f","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335393","20.1951","0.0019","10.75688","0.00067","7.75706","0.0005","90","","100.703","0.0041","90","","1655.8","0.2","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 B F4 N2 O Pt -","- C16 H13 B F4 N2 O Pt -","- C64 H52 B4 F16 N8 O4 Pt4 -","4","1","","Antonio Zucca; Diletta Cordeschi; Luca Maidich; Maria Itria Pilo; Elisabetta Masolo; Sergio Stoccoro; Maria Agostina Cinellu; Simona Galli","Rollover Cyclometalation with 2-(2'-Pyridyl)quinoline","Inorganic Chemistry","2013","52","","7717","7731","10.1021/ic400908f","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335394","19.4432","0.001","18.4292","0.001","11.7788","0.0006","90","","104.1","0.002","90","","4093.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 Cl2 Mn2 N5 O15 -","- C32 H46 Cl2 Mn2 N5 O15 -","- C128 H184 Cl8 Mn8 N20 O60 -","4","1","","Arpita Jana; Núria Aliaga-Alcalde; Eliseo Ruiz; Sasankasekhar Mohanta","Structures, Magnetochemistry, Spectroscopy, Theoretical Study, and Catechol Oxidase Activity of Dinuclear and Dimer-of-Dinuclear Mixed-Valence MnIIIMnII Complexes Derived from a Macrocyclic Ligand","Inorganic Chemistry","2013","52","","7732","7746","10.1021/ic400916h","","","0.71073","MoKα","","0.0751","0.0486","","","0.1497","0.1705","","","","","","1.168","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335395","10.233","0.004","31.236","0.011","12.64","0.004","90","","96.002","0.005","90","","4018","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H43 Cl2 Mn2 N4 O13 -","- C36 H43 Cl2 Mn2 N4 O13 -","- C144 H172 Cl8 Mn8 N16 O52 -","4","1","","Arpita Jana; Núria Aliaga-Alcalde; Eliseo Ruiz; Sasankasekhar Mohanta","Structures, Magnetochemistry, Spectroscopy, Theoretical Study, and Catechol Oxidase Activity of Dinuclear and Dimer-of-Dinuclear Mixed-Valence MnIIIMnII Complexes Derived from a Macrocyclic Ligand","Inorganic Chemistry","2013","52","","7732","7746","10.1021/ic400916h","","","0.71073","MoKα","","0.1568","0.0644","","","0.127","0.1636","","","","","","1.068","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335396","12.0581","0.0005","34.9133","0.0013","19.5573","0.0007","90","","96.696","0.001","90","","8177.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H80 Cl3 Mn4 N8 O24 -","- C69 H80 Cl3 Mn4 N8 O24 -","- C276 H320 Cl12 Mn16 N32 O96 -","4","1","","Arpita Jana; Núria Aliaga-Alcalde; Eliseo Ruiz; Sasankasekhar Mohanta","Structures, Magnetochemistry, Spectroscopy, Theoretical Study, and Catechol Oxidase Activity of Dinuclear and Dimer-of-Dinuclear Mixed-Valence MnIIIMnII Complexes Derived from a Macrocyclic Ligand","Inorganic Chemistry","2013","52","","7732","7746","10.1021/ic400916h","","","0.71073","MoKα","","0.0969","0.0597","","","0.1712","0.1928","","","","","","1.36","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335397","8.921","0.003","15.198","0.004","30.104","0.009","90","","90","","90","","4082","2","296","2","296","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- P0.67 S2.33 U0.33 -","- P0.666667 S2.33333 U0.333333 -","- P32 S112 U16 -","48","1.5","","Jean-Marie Babo; Laurent Jouffret; Jian Lin; Eric M. Villa; Thomas E. Albrecht-Schmitt","Synthesis, Structure, and Spectroscopy of Two Ternary Uranium(IV) Thiophosphates: UP2S9 and UP2S7 Containing P2S92- and P2S72- Ligands","Inorganic Chemistry","2013","52","","7747","7751","10.1021/ic400942r","","","0.71073","MoKα","","0.0298","0.0219","","","0.0363","0.0384","","","","","","1.044","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335398","7.7621","0.0011","7.7621","0.0011","9.691","0.003","90","","90","","90","","583.9","0.2","296","2","296","2","","","","","","","","3","P 42/m c m","-P 4c 2c","132","","","","- P0.67 S3 U0.33 -","- P0.666667 S3 U0.333333 -","- P4 S18 U2 -","6","0.375","","Jean-Marie Babo; Laurent Jouffret; Jian Lin; Eric M. Villa; Thomas E. Albrecht-Schmitt","Synthesis, Structure, and Spectroscopy of Two Ternary Uranium(IV) Thiophosphates: UP2S9 and UP2S7 Containing P2S92- and P2S72- Ligands","Inorganic Chemistry","2013","52","","7747","7751","10.1021/ic400942r","","","0.71073","MoKα","","0.0207","0.0139","","","0.0245","0.0259","","","","","","1.103","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335399","12.8567","0.0003","23.8554","0.0006","29.412","0.002","80.356","0.006","86.579","0.006","84.793","0.006","8847.4","0.7","95","2","95","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H96 Fe N5 O9.5 -","- C108 H92 Fe N5 O9 -","- C432 H368 Fe4 N20 O36 -","4","2","","Lauren E. Goodrich; Saikat Roy; E. Ercan Alp; Jiyong Zhao; Michael Y. Hu; Nicolai Lehnert","Electronic Structure and Biologically Relevant Reactivity of Low-Spin {FeNO}8 Porphyrin Model Complexes: New Insight from a Bis-Picket Fence Porphyrin","Inorganic Chemistry","2013","52","","7766","7780","10.1021/ic400977h","","","1.54178","CuKα","","0.137","0.094","","","0.219","0.2582","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335400","10.656","0.0003","10.876","0.0003","12.3847","0.0004","74.042","0.001","84.671","0.001","64.267","0.001","1242.57","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","CuTbValpnN3","","","- C40 H48 Cu2 N22 O10 Tb2 -","- C40 H48 Cu2 N22 O10 Tb2 -","- C40 H48 Cu2 N22 O10 Tb2 -","1","0.5","","Xing-Cai Huang; Chun Zhou; Haiyan Wei; Xin-Yi Wang","End-On Azido-Bridged 3d-4f Complexes Showing Single-Molecule-Magnet Property","Inorganic Chemistry","2013","52","","7314","7316","10.1021/ic400986y","","","0.71073","MoKα","","0.0355","0.0275","","","0.0549","0.0576","","","","","","1.036","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335401","10.741","0.003","10.934","0.003","12.238","0.004","73.608","0.005","84.116","0.005","63.646","0.004","1235.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","ZnTbValpnN3","","","- C40 H48 N22 O10 Tb2 Zn2 -","- C40 H48 N22 O10 Tb2 Zn2 -","- C40 H48 N22 O10 Tb2 Zn2 -","1","0.5","","Xing-Cai Huang; Chun Zhou; Haiyan Wei; Xin-Yi Wang","End-On Azido-Bridged 3d-4f Complexes Showing Single-Molecule-Magnet Property","Inorganic Chemistry","2013","52","","7314","7316","10.1021/ic400986y","","","0.71073","MoKα","","0.0384","0.0314","","","0.0677","0.0705","","","","","","1.015","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335402","10.63","0.003","10.851","0.003","12.384","0.003","74.007","0.003","84.685","0.004","64.286","0.003","1236.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","CuGdValpnN3","","","- C40 H48 Cu2 Gd2 N22 O10 -","- C40 H48 Cu2 Gd2 N22 O10 -","- C40 H48 Cu2 Gd2 N22 O10 -","1","0.5","","Xing-Cai Huang; Chun Zhou; Haiyan Wei; Xin-Yi Wang","End-On Azido-Bridged 3d-4f Complexes Showing Single-Molecule-Magnet Property","Inorganic Chemistry","2013","52","","7314","7316","10.1021/ic400986y","","","0.71073","MoKα","","0.0283","0.0253","","","0.0596","0.0608","","","","","","1.03","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335403","10.686","0.009","10.824","0.008","12.233","0.009","73.706","0.018","84.235","0.018","63.724","0.016","1217.3","1.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","ZnGdValpnN3","","","- C40 H48 Gd2 N22 O10 Zn2 -","- C40 H48 Gd2 N22 O10 Zn2 -","- C40 H48 Gd2 N22 O10 Zn2 -","1","0.5","","Xing-Cai Huang; Chun Zhou; Haiyan Wei; Xin-Yi Wang","End-On Azido-Bridged 3d-4f Complexes Showing Single-Molecule-Magnet Property","Inorganic Chemistry","2013","52","","7314","7316","10.1021/ic400986y","","","0.71073","MoKα","","0.0635","0.0483","","","0.0949","0.1019","","","","","","0.976","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335404","16.043","0.0011","12.535","0.001","11.606","0.0006","90","","102.024","0.004","90","","2282.7","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H40 P4 -","- C18 H40 P4 -","- C72 H160 P16 -","4","0.5","","Philip J. W. Elder; Tristram Chivers","Chalcogenation of the 1,4-C2P4 Ring: Oxidation, Isomerization, Insertion, and Ring Contraction","Inorganic Chemistry","2013","52","","7791","7804","10.1021/ic401002b","","","0.71073","MoKα","","0.0658","0.0539","","","0.1505","0.1729","","","","","","1.244","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335405","13.365","0.0002","17.792","0.0003","20.757","0.0003","90","","90","","90","","4935.81","0.13","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H40 P4 S2 -","- C18 H40 P4 S2 -","- C144 H320 P32 S16 -","8","1","","Philip J. W. Elder; Tristram Chivers","Chalcogenation of the 1,4-C2P4 Ring: Oxidation, Isomerization, Insertion, and Ring Contraction","Inorganic Chemistry","2013","52","","7791","7804","10.1021/ic401002b","","","0.71073","MoKα","","0.0447","0.0359","","","0.0897","0.0952","","","","","","1.081","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335406","13.773","0.0006","17.72","0.0003","20.669","0.0007","90","","90","","90","","5044.4","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H40 P4 Se2 -","- C18 H40 P4 Se2 -","- C144 H320 P32 Se16 -","8","1","","Philip J. W. Elder; Tristram Chivers","Chalcogenation of the 1,4-C2P4 Ring: Oxidation, Isomerization, Insertion, and Ring Contraction","Inorganic Chemistry","2013","52","","7791","7804","10.1021/ic401002b","","","0.71073","MoKα","","0.0684","0.0452","","","0.0991","0.1186","","","","","","1.172","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335407","9.382","0.0004","7.878","0.0008","19.202","0.0015","90","","90","","90","","1419.25","0.19","173","2","173","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C9 H20 P2 S3 -","- C9 H20 P2 S3 -","- C36 H80 P8 S12 -","4","","","Philip J. W. Elder; Tristram Chivers","Chalcogenation of the 1,4-C2P4 Ring: Oxidation, Isomerization, Insertion, and Ring Contraction","Inorganic Chemistry","2013","52","","7791","7804","10.1021/ic401002b","","","0.71073","MoKα","","0.05","0.0455","","","0.1312","0.1351","","","","","","1.348","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335408","8.041","0.0002","18.8488","0.0006","19.2235","0.0007","90","","90","","90","","2913.58","0.16","173","2","173","2","","","","","","","","4","I b c a","-I 2b 2c","73","","","","- C9 H20 P2 Se3 -","- C9 H20 P2 Se3 -","- C72 H160 P16 Se24 -","8","0.5","","Philip J. W. Elder; Tristram Chivers","Chalcogenation of the 1,4-C2P4 Ring: Oxidation, Isomerization, Insertion, and Ring Contraction","Inorganic Chemistry","2013","52","","7791","7804","10.1021/ic401002b","","","0.71073","MoKα","","0.0411","0.0324","","","0.0749","0.0782","","","","","","1.185","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335409","14.26","0.0004","7.574","0.0005","15.862","0.0005","90","","109.819","0.002","90","","1611.7","0.13","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H20 P2 Se4 -","- C9 H20 P2 Se4 -","- C36 H80 P8 Se16 -","4","1","","Philip J. W. Elder; Tristram Chivers","Chalcogenation of the 1,4-C2P4 Ring: Oxidation, Isomerization, Insertion, and Ring Contraction","Inorganic Chemistry","2013","52","","7791","7804","10.1021/ic401002b","","","0.71073","MoKα","","0.0806","0.0516","","","0.089","0.1027","","","","","","1.094","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335410","8.676","0.0003","12.6806","0.0004","14.2827","0.0005","84.891","0.002","72.933","0.002","73.973","0.002","1443.7","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","N,N-bis(trimethylsilyl)aminodichlorstibane","","- C6 H18 Cl2 N Sb Si2 -","- C6 H18 Cl2 N Sb Si2 -","- C24 H72 Cl8 N4 Sb4 Si8 -","4","2","","Christian Hering; Julia Rothe; Axel Schulz; Alexander Villinger","Structure and Bonding of Novel Acyclic Bisaminoarsenium Cations","Inorganic Chemistry","2013","52","","7781","7790","10.1021/ic4010104","","","0.71073","MoKα","","0.0454","0.0278","","","0.055","0.0619","","","","","","1.011","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335411","13.3421","0.0006","16.781","0.0009","20.5614","0.0011","90","","90","","90","","4603.6","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis-(N,N-bis(trimethylsilyl)amino)chloroarsane","","- C12 H36 As Cl N2 Si4 -","- C12 H36 As Cl N2 Si4 -","- C96 H288 As8 Cl8 N16 Si32 -","8","1","","Christian Hering; Julia Rothe; Axel Schulz; Alexander Villinger","Structure and Bonding of Novel Acyclic Bisaminoarsenium Cations","Inorganic Chemistry","2013","52","","7781","7790","10.1021/ic4010104","","","0.71073","MoKα","","0.1263","0.0471","","","0.0825","0.1041","","","","","","0.999","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335412","12.6262","0.0004","17.3951","0.0005","14.2271","0.0004","90","","95.948","0.002","90","","3107.93","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis-(N,N-bis(trimethylsilyl)amino)arsenium tetrachlorogallate","","- C13 H38 As Cl6 Ga N2 Si4 -","- C13 H38 As Cl6 Ga N2 Si4 -","- C52 H152 As4 Cl24 Ga4 N8 Si16 -","4","1","","Christian Hering; Julia Rothe; Axel Schulz; Alexander Villinger","Structure and Bonding of Novel Acyclic Bisaminoarsenium Cations","Inorganic Chemistry","2013","52","","7781","7790","10.1021/ic4010104","","","0.71073","MoKα","","0.0875","0.0397","","","0.0764","0.0897","","","","","","1.008","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335413","16.1118","0.0005","12.2508","0.0004","16.8897","0.0006","90","","97.015","0.002","90","","3308.77","0.19","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis-(N,N-bis(trimethylsilyl)amino)arsenium heptachlorodigallate","","- C12 H36 As Cl7 Ga2 N2 Si4 -","- C12 H36 As Cl7 Ga2 N2 Si4 -","- C48 H144 As4 Cl28 Ga8 N8 Si16 -","4","1","","Christian Hering; Julia Rothe; Axel Schulz; Alexander Villinger","Structure and Bonding of Novel Acyclic Bisaminoarsenium Cations","Inorganic Chemistry","2013","52","","7781","7790","10.1021/ic4010104","","","0.71073","MoKα","","0.098","0.0454","","","0.0877","0.1053","","","","","","1.004","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335414","11.2006","0.0007","14.5847","0.0009","10.7164","0.0006","90","","102.815","0.004","90","","1707","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-(N,N-bis(trimethylsiyl)amino)diarsa-2,4-(N-trimethylsilyl)diazan","","- C18 H54 As2 N4 Si6 -","- C18 H54 As2 N4 Si6 -","- C36 H108 As4 N8 Si12 -","2","0.5","","Christian Hering; Julia Rothe; Axel Schulz; Alexander Villinger","Structure and Bonding of Novel Acyclic Bisaminoarsenium Cations","Inorganic Chemistry","2013","52","","7781","7790","10.1021/ic4010104","","","0.71073","MoKα","","0.0809","0.0403","","","0.0749","0.0874","","","","","","1.017","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335415","8.8248","0.0004","24.4924","0.001","11.6313","0.0004","90","","110.622","0.002","90","","2352.91","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis-(N,N-bis(trimethylsilyl)amino)chlorostibane","","- C12 H36 Cl N2 Sb Si4 -","- C12 H36 Cl N2 Sb Si4 -","- C48 H144 Cl4 N8 Sb4 Si16 -","4","1","","Christian Hering; Julia Rothe; Axel Schulz; Alexander Villinger","Structure and Bonding of Novel Acyclic Bisaminoarsenium Cations","Inorganic Chemistry","2013","52","","7781","7790","10.1021/ic4010104","","","0.71073","MoKα","","0.1032","0.0507","","","0.0973","0.1139","","","","","","1.033","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335416","12.2481","0.0004","12.5076","0.0003","14.1167","0.0004","97.271","0.002","114.078","0.002","92.673","0.002","1946.99","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H40 Cl11 Ga2 N2 Sb Si4 -","- C14 H40 Cl11 Ga2 N2 Sb Si4 -","- C28 H80 Cl22 Ga4 N4 Sb2 Si8 -","2","1","","Christian Hering; Julia Rothe; Axel Schulz; Alexander Villinger","Structure and Bonding of Novel Acyclic Bisaminoarsenium Cations","Inorganic Chemistry","2013","52","","7781","7790","10.1021/ic4010104","","","0.71073","MoKα","","0.1018","0.0465","","","0.0841","0.1013","","","","","","1.014","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335417","10.4896","0.0003","13.3683","0.0004","19.1493","0.0005","90","","96.565","0.002","90","","2667.66","0.13","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","bis-(N,N-bis(trimethylsilyl)amino)(trifluoromethylsulfonyl)stibane","","- C13 H36 F3 N2 O3 S Sb Si4 -","- C13 H36 F3 N2 O3 S Sb Si4 -","- C52 H144 F12 N8 O12 S4 Sb4 Si16 -","4","1","","Christian Hering; Julia Rothe; Axel Schulz; Alexander Villinger","Structure and Bonding of Novel Acyclic Bisaminoarsenium Cations","Inorganic Chemistry","2013","52","","7781","7790","10.1021/ic4010104","","","0.71073","MoKα","","0.0673","0.0356","","","0.0668","0.0775","","","","","","1.007","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335418","24.839","0.003","14.426","0.002","48.563","0.005","90","","100.32","0.01","90","","17120","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84.5 H82 Mn9 N6 O29 -","- C84.5 H81 Mn9 N6 O29 -","- C676 H648 Mn72 N48 O232 -","8","1","","Małgorzata Hołyńska; Nicolas Frank; Céline Pichon; Ie-Rang Jeon; Rodolphe Clérac; Stefanie Dehnen","A Defect Supertetrahedron Naphthoxime-Based [MnIII9] Single-Molecule Magnet","Inorganic Chemistry","2013","52","","7317","7319","10.1021/ic401018w","","","0.71073","MoKα","","0.1366","0.0968","","","0.1775","0.1915","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335419","8.7918","0.0019","5.902","0.0013","12.126","0.003","90","","90.288","0.004","90","","629.2","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C32 H24 N4 O4 -","2","1","","Wei-Hua Ding; Wei, Cao; Xiang-Jun Zheng; De-Cai Fang; Wing-Tak Wong; Lin-Pei Jin","A Highly Selective Fluorescent Chemosensor for AlIII Ion and Fluorescent Species Formed in the Solution","Inorganic Chemistry","2013","52","","7320","7322","10.1021/ic401028u","","","0.71073","MoKα","","0.0468","0.0387","","","0.0908","0.0959","","","","","","1.049","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335420","15.9454","0.0005","11.5448","0.0003","23.196","0.0007","90","","90.003","0.002","90","","4270.1","0.2","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H72 N4 Si8 U -","- C24 H72 N4 Si8 U -","- C96 H288 N16 Si32 U4 -","4","1","","Andrew J. Lewis; Ursula J. Williams; Patrick J. Carroll; Eric J. Schelter","Tetrakis(bis(trimethylsilyl)amido)uranium(IV): Synthesis and Reactivity","Inorganic Chemistry","2013","52","","7326","7328","10.1021/ic401181j","","","0.71073","MoKα","","0.0279","0.0181","","","0.0378","0.0407","","","","","","1.011","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335421","10.2583","0.0014","21.351","0.003","17.623","0.002","90","","90.998","0.002","90","","3859.3","0.9","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H56 As N5 Si3 Zr -","- C31 H56 As N5 Si3 Zr -","- C124 H224 As4 N20 Si12 Zr4 -","4","1","","Annalese F. Maddox; Jillian J. Davidson; Tamila Shalumova; Joseph M. Tanski; Rory Waterman","Zirconium-Mediated Synthesis of Arsaalkene Compounds from Arsines and Isocyanides","Inorganic Chemistry","2013","52","","7811","7816","10.1021/ic4012058","","","0.71073","MoKα","","0.0522","0.0406","","","0.1038","0.1109","","","","","","1.063","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335422","11.3755","0.0006","12.1971","0.0006","16.5256","0.0008","84.972","0.001","72.278","0.001","70.593","0.001","2059.76","0.18","125","2","125","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H63 As N5 O0.5 Si3 Zr -","- C34 H63 As N5 O0.5 Si3 Zr -","- C68 H126 As2 N10 O Si6 Zr2 -","2","1","","Annalese F. Maddox; Jillian J. Davidson; Tamila Shalumova; Joseph M. Tanski; Rory Waterman","Zirconium-Mediated Synthesis of Arsaalkene Compounds from Arsines and Isocyanides","Inorganic Chemistry","2013","52","","7811","7816","10.1021/ic4012058","","","0.71073","MoKα","","0.0329","0.026","","","0.0631","0.0661","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335423","11.3035","0.0005","19.5564","0.0009","19.086","0.0009","90","","106.078","0.001","90","","4054","0.3","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H56 As N5 Si3 Zr -","- C35 H56 As N5 Si3 Zr -","- C140 H224 As4 N20 Si12 Zr4 -","4","1","","Annalese F. Maddox; Jillian J. Davidson; Tamila Shalumova; Joseph M. Tanski; Rory Waterman","Zirconium-Mediated Synthesis of Arsaalkene Compounds from Arsines and Isocyanides","Inorganic Chemistry","2013","52","","7811","7816","10.1021/ic4012058","","","0.71073","MoKα","","0.0408","0.0283","","","0.0635","0.0681","","","","","","1.02","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335424","21.2732","0.0007","8.1023","0.0002","26.1598","0.0005","90","","112.677","0.002","90","","4160.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 N6 O12 Ru S2 -","- C36.012 H54 N6 O12 Ru S2 -","- C144.048 H216 N24 O48 Ru4 S8 -","4","0.5","","Lele Duan; Lei Wang; A. Ken Inge; Andreas Fischer; Xiaodong Zou; Licheng Sun","Insights into Ru-Based Molecular Water Oxidation Catalysts: Electronic and Noncovalent-Interaction Effects on Their Catalytic Activities","Inorganic Chemistry","2013","52","","7844","7852","10.1021/ic302687d","","","0.71073","MoKα","","0.0571","0.0513","","","","0.1256","","","","","","1.087","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335425","8.211","0.004","11.037","0.008","15.89","0.02","70.23","0.08","78.96","0.06","77.86","0.05","1313","2","299","","299","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C26 H26 N6 O4 Ru -","- C26 H26 N6 O4 Ru -","- C52 H52 N12 O8 Ru2 -","2","1","","Lele Duan; Lei Wang; A. Ken Inge; Andreas Fischer; Xiaodong Zou; Licheng Sun","Insights into Ru-Based Molecular Water Oxidation Catalysts: Electronic and Noncovalent-Interaction Effects on Their Catalytic Activities","Inorganic Chemistry","2013","52","","7844","7852","10.1021/ic302687d","","","0.71073","MoKα","","0.078","0.051","","","0.106","0.119","","","","","","1.04","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335426","34.8818","0.0015","49.512","0.002","19.2091","0.0009","90","","114.534","0.002","90","","30180","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","CH2Cl2@[Cu4(tppepb)4]I4","","","- C267 H186 Cl6 Cu4 I4 P12 -","- C267 H186 Cl6 Cu4 I4 P12 -","- C1068 H744 Cl24 Cu16 I16 P48 -","4","0.5","","Sang Ho Lim; Seth M. Cohen","Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates","Inorganic Chemistry","2013","52","","7862","7872","10.1021/ic302840x","","","1.54178","CuKα","","0.0734","0.0616","","","0.1896","0.2002","","","","","","1.138","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335427","21.783","0.004","31.274","0.006","31.425","0.006","60.195","0.007","81.689","0.007","73.616","0.006","17822","6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","CH2Cl2@[Ag4(tppepb)4]I4","","","- C266 H184 Ag4 Cl4 I4 P12 -","- C266 H184 Ag4 Cl4 I4 P12 -","- C532 H368 Ag8 Cl8 I8 P24 -","2","1","","Sang Ho Lim; Seth M. Cohen","Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates","Inorganic Chemistry","2013","52","","7862","7872","10.1021/ic302840x","","","1.54178","CuKα","","0.104","0.0737","","","0.1901","0.2141","","","","","","1.07","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335428","69.8512","0.0018","19.7868","0.0005","38.2622","0.0011","90","","92.882","0.002","90","","52817","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","DMF@[Ag4(tppepb)4]I4","","","- C276 H208.48 Ag4 I4 N4 O4 P12 -","- C276 H208.48 Ag4 I4 N4 O4 P12 -","- C2208 H1667.84 Ag32 I32 N32 O32 P96 -","8","1","","Sang Ho Lim; Seth M. Cohen","Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates","Inorganic Chemistry","2013","52","","7862","7872","10.1021/ic302840x","","","1.54178","CuKα","","0.0907","0.0814","","","0.2373","0.2485","","","","","","1.09","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335429","22.379","0.0006","24.1427","0.0009","27.514","0.0008","88.522","0.002","68.882","0.001","64.583","0.002","12377.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","CH2Cl2@[Au4(tppepb)4]I4","","","- C548 H409 Au8 Cl8 I8 O4 P24 -","- C548 H409 Au8 Cl8 I8 O4 P24 -","- C548 H409 Au8 Cl8 I8 O4 P24 -","1","0.5","","Sang Ho Lim; Seth M. Cohen","Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates","Inorganic Chemistry","2013","52","","7862","7872","10.1021/ic302840x","","","1.54178","CuKα","","0.0817","0.0746","","","0.1906","0.1961","","","","","","1.049","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335430","41.848","0.002","10.7417","0.0006","19.6602","0.0012","90","","90","","90","","8837.6","0.8","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[Cu2(1,4-dppeb)3]I2","","","- C103 H74 Cl2 Cu2 I2 P6 -","- C103 H74 Cl2 Cu2 I2 P6 -","- C412 H296 Cl8 Cu8 I8 P24 -","4","1","","Sang Ho Lim; Seth M. Cohen","Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates","Inorganic Chemistry","2013","52","","7862","7872","10.1021/ic302840x","","","1.54178","CuKα","","0.0728","0.0551","","","0.1414","0.1791","","","","","","1.179","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335431","13.346","0.0004","18.3255","0.0005","37.2999","0.0011","90","","95.949","0.002","90","","9073.4","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu2(1,3-dppeb)3]I2","","","- C106 H82 Cu2 I2 O P6 -","- C106 H82 Cu2 I2 O P6 -","- C424 H328 Cu8 I8 O4 P24 -","4","1","","Sang Ho Lim; Seth M. Cohen","Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates","Inorganic Chemistry","2013","52","","7862","7872","10.1021/ic302840x","","","1.54178","CuKα","","0.0985","0.0807","","","0.2142","0.2293","","","","","","1.096","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335432","13.1976","0.0003","13.1976","0.0003","38.5008","0.0008","90","","90","","120","","5807.5","0.2","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","[Cu2(2,6-dppeb)3]I2","","","- C201 H144 Cl6 Cu4 I4 N6 P12 -","- C201 H144 Cl6 Cu4 I4 N6 P12 -","- C201 H144 Cl6 Cu4 I4 N6 P12 -","1","0.0833333","","Sang Ho Lim; Seth M. Cohen","Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates","Inorganic Chemistry","2013","52","","7862","7872","10.1021/ic302840x","","","1.54178","CuKα","","0.0857","0.0837","","","0.2424","0.2456","","","","","","1.04","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335433","13.3154","0.0009","13.3154","0.0009","38.938","0.003","90","","90","","120","","5978.8","0.7","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","[Au2(2,6-dppeb)3]I2","","","- C102 H75 Au2 Cl3 I2 N3 P6 -","- C102 H75 Au2 Cl3 I2 N3 P6 -","- C204 H150 Au4 Cl6 I4 N6 P12 -","2","0.166667","","Sang Ho Lim; Seth M. Cohen","Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates","Inorganic Chemistry","2013","52","","7862","7872","10.1021/ic302840x","","","1.54178","CuKα","","0.0866","0.0852","","","0.2364","0.239","","","","","","1.072","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335434","10.2728","0.0003","21.4363","0.0007","22.0514","0.0007","78.413","0.002","84.505","0.002","76.643","0.002","4622.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","{[Au2(1,4-dppeb)3]I2}n","","","- C104 H76 Au2 Cl4 I2 P6 -","- C104 H76 Au2 Cl4 I2 P6 -","- C208 H152 Au4 Cl8 I4 P12 -","2","1","","Sang Ho Lim; Seth M. Cohen","Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates","Inorganic Chemistry","2013","52","","7862","7872","10.1021/ic302840x","","","0.71073","MoKα","","0.0751","0.043","","","0.1065","0.134","","","","","","1.095","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335435","12.8162","0.0002","13.0129","0.0002","17.0064","0.0003","85.633","0.001","77.257","0.001","80.861","0.001","2728.79","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","{[Cu2(1,5-dppen)3]I2}n","","","- C63 H53 Cu I N2 O2 P3 -","- C63 H53 Cu I N2 O2 P3 -","- C126 H106 Cu2 I2 N4 O4 P6 -","2","1","","Sang Ho Lim; Seth M. Cohen","Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates","Inorganic Chemistry","2013","52","","7862","7872","10.1021/ic302840x","","","1.54178","CuKα","","0.063","0.0582","","","0.1601","0.1661","","","","","","1.08","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335436","8.5058","0.0017","9.2826","0.0013","17.508","0.005","90.371","0.016","89.706","0.019","104.558","0.015","1337.9","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Ammounium silver uranyl borophosphate arsenate","","","- Ag2 B3 H16 N3 O30 P6 U2 -","- Ag2 B3 N3 O30 P6 U2 -","- Ag4 B6 N6 O60 P12 U4 -","2","1","","Shijun Wu; Matthew J. Polinski; Thomas Malcherek; Ulrich Bismayer; Martina Klinkenberg; Giuseppe Modolo; Dirk Bosbach; Wulf Depmeier; Thomas E. Albrecht-Schmitt; Evgeny V. Alekseev","Novel Fundamental Building Blocks and Site Dependent Isomorphism in the First Actinide Borophosphates","Inorganic Chemistry","2013","52","","7881","7888","10.1021/ic400214x","","","0.71073","MoKα","","0.059","0.0461","","","0.112","0.1199","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335437","12.011","0.004","12.166","0.003","14.454","0.004","90","0.02","90","0.03","90","0.02","2112.1","1.1","293","2","293","2","","","","","","","","7","P c m n","-P 2n 2ac","62","Ammounium silver uranyl borophosphate arsenate","","","- Ag0.74 B2 H13.26 N3 O24 P5 U2 -","- Ag0.74 B2 N3 O24 P5 U2 -","- Ag2.96 B8 N12 O96 P20 U8 -","4","0.5","","Shijun Wu; Matthew J. Polinski; Thomas Malcherek; Ulrich Bismayer; Martina Klinkenberg; Giuseppe Modolo; Dirk Bosbach; Wulf Depmeier; Thomas E. Albrecht-Schmitt; Evgeny V. Alekseev","Novel Fundamental Building Blocks and Site Dependent Isomorphism in the First Actinide Borophosphates","Inorganic Chemistry","2013","52","","7881","7888","10.1021/ic400214x","","","0.71073","MoKα","","0.0511","0.039","","","0.0795","0.0834","","","","","","1.121","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335438","12.109","0.003","12.353","0.006","14.678","0.004","90","","90","","90","","2195.6","1.3","293","2","293","2","","","","","","","","8","P c m n","-P 2n 2ac","62","Ammounium silver uranyl borophosphate arsenate","","","- Ag2.28 As8.96 B8 H52.72 N12 O96 P11.04 U8 -","- Ag0.57 As2.24 B2 N3 O24 P2.76 U2 -","- Ag2.28 As8.96 B8 N12 O96 P11.04 U8 -","4","0.5","","Shijun Wu; Matthew J. Polinski; Thomas Malcherek; Ulrich Bismayer; Martina Klinkenberg; Giuseppe Modolo; Dirk Bosbach; Wulf Depmeier; Thomas E. Albrecht-Schmitt; Evgeny V. Alekseev","Novel Fundamental Building Blocks and Site Dependent Isomorphism in the First Actinide Borophosphates","Inorganic Chemistry","2013","52","","7881","7888","10.1021/ic400214x","","","0.71073","MoKα","","0.0749","0.0694","","","0.1574","0.1595","","","","","","1.346","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335439","5.7773","0.0002","13.3867","0.0005","26.7245","0.0009","90","","93.836","0.003","90","","2062.22","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 O2 -","- C26 H18 N4 O2 -","- C104 H72 N16 O8 -","4","1","","Colin R. Wilson; Alexander M. Fagenson; Wanvipa Ruangpradit; Mark T. Muller; Orde Q. Munro","Gold(III) Complexes of Pyridyl- and Isoquinolylamido Ligands: Structural, Spectroscopic, and Biological Studies of a New Class of Dual Topoisomerase I and II Inhibitors","Inorganic Chemistry","2013","52","","7889","7906","10.1021/ic400339z","","","0.71073","MoKα","","0.0629","0.0485","","","0.1263","0.1377","","","","","","1.064","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335440","7.477","0.005","10.21","0.005","11.023","0.005","85.443","0.005","79.313","0.005","72.383","0.005","787.9","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Au Cl2 N4 O2 -","- C14 H13 Au Cl2 N4 O2 -","- C28 H26 Au2 Cl4 N8 O4 -","2","1","","Colin R. Wilson; Alexander M. Fagenson; Wanvipa Ruangpradit; Mark T. Muller; Orde Q. Munro","Gold(III) Complexes of Pyridyl- and Isoquinolylamido Ligands: Structural, Spectroscopic, and Biological Studies of a New Class of Dual Topoisomerase I and II Inhibitors","Inorganic Chemistry","2013","52","","7889","7906","10.1021/ic400339z","","","0.71073","MoKα","","0.0396","0.0335","","","0.0816","0.0834","","","","","","1.01","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335441","11.188","0.005","10.192","0.005","15.132","0.005","90","","93.35","0.005","90","","1722.5","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Au Cl2 N4 O2 -","- C15 H15 Au Cl2 N4 O2 -","- C60 H60 Au4 Cl8 N16 O8 -","4","1","","Colin R. Wilson; Alexander M. Fagenson; Wanvipa Ruangpradit; Mark T. Muller; Orde Q. Munro","Gold(III) Complexes of Pyridyl- and Isoquinolylamido Ligands: Structural, Spectroscopic, and Biological Studies of a New Class of Dual Topoisomerase I and II Inhibitors","Inorganic Chemistry","2013","52","","7889","7906","10.1021/ic400339z","","","0.71073","MoKα","","0.0553","0.0317","","","0.074","0.0803","","","","","","0.96","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335442","12.971","0.005","8.701","0.005","14.068","0.005","90","","114.723","0.005","90","","1442.2","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Au Cl2 N2 O2 -","- C13 H11 Au Cl2 N2 O2 -","- C52 H44 Au4 Cl8 N8 O8 -","4","1","","Colin R. Wilson; Alexander M. Fagenson; Wanvipa Ruangpradit; Mark T. Muller; Orde Q. Munro","Gold(III) Complexes of Pyridyl- and Isoquinolylamido Ligands: Structural, Spectroscopic, and Biological Studies of a New Class of Dual Topoisomerase I and II Inhibitors","Inorganic Chemistry","2013","52","","7889","7906","10.1021/ic400339z","","","0.71073","MoKα","","0.0403","0.0361","","","0.099","0.1018","","","","","","1.051","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335443","15.99","0.005","12.445","0.005","15.602","0.005","90","","104.487","0.005","90","","3006","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Au Cl2 N4 O3 -","- C30 H27 Au Cl2 N4 O3 -","- C120 H108 Au4 Cl8 N16 O12 -","4","1","","Colin R. Wilson; Alexander M. Fagenson; Wanvipa Ruangpradit; Mark T. Muller; Orde Q. Munro","Gold(III) Complexes of Pyridyl- and Isoquinolylamido Ligands: Structural, Spectroscopic, and Biological Studies of a New Class of Dual Topoisomerase I and II Inhibitors","Inorganic Chemistry","2013","52","","7889","7906","10.1021/ic400339z","","","0.71073","MoKα","","0.0595","0.0393","","","0.0904","0.0961","","","","","","0.955","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335444","6.364","0.002","6.608","0.002","6.809","0.002","103.899","0.003","117.753","0.003","103.958","0.003","224.25","0.12","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","","","- Mo3 S4 -","- Mo3 S4 -","- Mo6 S8 -","2","1","","Hiroshi Fukuoka; Kumi Masuoka; Teruhiko Hanaoka; Kei Inumaru","New Polymorph of Mo3S4 Prepared using a High-pressure Synthesis Technique: Crystal Structure, Electronic Property, and Band Calculation","Inorganic Chemistry","2013","52","","7918","7922","10.1021/ic400423n","","","0.71073","MoKα","","0.0224","0.0218","","","0.0585","0.0589","","","","","","1.137","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335445","24.2242","0.0009","24.2242","0.0009","8.3666","0.0006","90","","90","","90","","4909.6","0.4","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H36.5 B4.5 Mo2 S -","- C20 H33.5 B4.5 Mo2 S -","- C160 H268 B36 Mo16 S8 -","8","1","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","0.71073","MoKα","","0.0724","0.0554","","","0.106","0.1146","","","","","","1.234","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335446","24.3557","0.0003","24.3557","0.0003","8.4086","0.0002","90","","90","","90","","4987.98","0.15","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H32 B4 Mo2 Se -","- C20 H32 B4 Mo2 Se0.996 -","- C160 H256 B32 Mo16 Se7.968 -","8","1","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","0.71073","MoKα","","0.1601","0.0675","","","0.1732","0.217","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335447","10.852","0.0005","16.3337","0.0006","14.7432","0.0006","90","","110.812","0.005","90","","2442.77","0.19","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 B5 Mo2 Se -","- C20 H34 B5.001 Mo1.923 Se1.001 -","- C80 H136 B20.004 Mo7.692 Se4.004 -","4","1","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","1.54184","CuKα","","0.0475","0.0464","","","0.1187","0.1196","","","","","","1.131","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335448","24.1695","0.0002","24.1695","0.0002","8.6072","0.0001","90","","90","","90","","5028.02","0.08","150","2","150","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H33 B5 Mo2 Se -","- C20 H34 B5 Mo2 Se -","- C160 H272 B40 Mo16 Se8 -","8","1","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","1.54184","CuKα","","0.0767","0.0745","","","0.1981","0.2","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335449","12.8388","0.0005","10.4032","0.0004","11.9416","0.0005","90","","90","","90","","1594.98","0.11","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H15 B5 Te2 W2 -","- C10 H15 B5 Te2 W2 -","- C40 H60 B20 Te8 W8 -","4","0.5","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","0.71073","MoKα","","0.0511","0.0415","","","0.1325","0.1422","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335450","9.1308","0.0003","17.1982","0.0005","19.1194","0.0007","90","","97.254","0.003","90","","2978.35","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 B4 Co2 Mo2 O5 S -","- C25 H34 B4 Co2 Mo2 O5 S -","- C100 H136 B16 Co8 Mo8 O20 S4 -","4","1","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","0.71073","MoKα","","0.0679","0.0615","","","0.1653","0.1746","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335451","15.8054","0.0006","12.0035","0.0003","15.7935","0.0007","90","","90","","90","","2996.34","0.19","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H33 B3 Co2 Mo2 O6 S -","- C26 H33 B3 Co2 Mo2 O6 S -","- C104 H132 B12 Co8 Mo8 O24 S4 -","4","1","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","0.71073","MoKα","","0.0192","0.0176","","","0.0398","0.0407","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335452","15.8493","0.0005","12.1257","0.0004","15.9708","0.0005","90","","90","","90","","3069.33","0.17","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C26 H33 B3 Co2 Mo2 O6 Se -","- C26 H33 B3 Co2 Mo2 O6 Se -","- C104 H132 B12 Co8 Mo8 O24 Se4 -","4","1","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","0.71073","MoKα","","0.0428","0.0266","","","0.0416","0.0452","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335453","17.9134","0.0003","14.5553","0.0003","11.3323","0.0002","90","","98.348","0.001","90","","2923.42","0.09","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H32.5 B2.5 Co2 Mo2 O5.5 Te -","- C25.5 H32.5 B2.5 Co2 Mo2 O5.5 Te -","- C102 H130 B10 Co8 Mo8 O22 Te4 -","4","1","","Kiran Kumarvarma Chakrahari; Arunabha Thakur; Bijan Mondal; V. Ramkumar; Sundargopal Ghosh","Hypoelectronic Dimetallaheteroboranes of Group 6 Transition Metals Containing Heavier Chalcogen Elements","Inorganic Chemistry","2013","52","","7923","7932","10.1021/ic400432v","","","0.71073","MoKα","","0.0437","0.0346","","","0.0826","0.0878","","","","","","1.061","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335454","14.4077","0.0003","11.9085","0.0003","14.8739","0.0003","90","","95.103","0.001","90","","2541.86","0.1","115","2","115","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H60 Cu4 I4 P4 -","- C40 H60 Cu4 I4 P4 -","- C80 H120 Cu8 I8 P8 -","2","1","","Antony Lapprand; Mathieu Dutartre; Naïma Khiri; Etienne Levert; Daniel Fortin; Yoann Rousselin; Armand Soldera; Sylvain Jugé; Pierre D. Harvey","Luminescent P-Chirogenic Copper Clusters","Inorganic Chemistry","2013","52","","7958","7967","10.1021/ic400498j","","","0.71073","MoKα","","0.0468","0.041","","","0.081","0.0856","","","","","","1.138","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335455","9.457","0.006","11.618","0.007","14.142","0.007","111.67","0.04","105.41","0.03","97.26","0.02","1347.7","1.5","125","","125","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H25 F P2 Se2 -","- C30 H25 F P2 Se2 -","- C60 H50 F2 P4 Se4 -","2","1","","Guoxiong Hua; Junyi Du; Alexandra M. Z. Slawin; J. Derek Woollins","Fluorinated Phosphorus-Selenium Heteroatom Compounds: Phenylphosphonofluorodiselenoic Salts, Adducts, and Esters","Inorganic Chemistry","2013","52","","8214","8217","10.1021/ic400612w","","","0.71075","MoKα","","","0.047","","","","0.1257","","","","","","0.977","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335456","11.596","0.005","15.549","0.006","15.368","0.007","90","","106.325","0.011","90","","2659","2","93","","93","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H30 F N2 P Se2 -","- C27 H30 F N2 P Se2 -","- C108 H120 F4 N8 P4 Se8 -","4","1","","Guoxiong Hua; Junyi Du; Alexandra M. Z. Slawin; J. Derek Woollins","Fluorinated Phosphorus-Selenium Heteroatom Compounds: Phenylphosphonofluorodiselenoic Salts, Adducts, and Esters","Inorganic Chemistry","2013","52","","8214","8217","10.1021/ic400612w","","","0.71075","MoKα","","","0.0563","","","","0.1024","","","","","","1.024","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335457","9.9318","0.0008","14.4156","0.0013","11.6055","0.0011","90","","94.726","0.003","90","","1655.9","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H52 B2 Cl2 P2 Pt -","- C30 H52 B2 Cl2 P2 Pt -","- C60 H104 B4 Cl4 P4 Pt2 -","2","1","","Holger Braunschweig; Alexander Damme; Thomas Kupfer","Diboran(4)yl Platinum(II) Complexes","Inorganic Chemistry","2013","52","","7822","7824","10.1021/ic400641a","","","0.71073","MoKα","","0.0112","0.0108","","","0.0253","0.0254","","","","","","1.005","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335458","12.4828","0.0009","19.9323","0.0015","14.2861","0.0011","90","","99.094","0.002","90","","3509.9","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 B2 Cl2 P2 Pt -","- C32 H56 B2 Cl2 P2 Pt -","- C128 H224 B8 Cl8 P8 Pt4 -","4","1","","Holger Braunschweig; Alexander Damme; Thomas Kupfer","Diboran(4)yl Platinum(II) Complexes","Inorganic Chemistry","2013","52","","7822","7824","10.1021/ic400641a","","","0.71073","MoKα","","0.0223","0.02","","","0.05","0.0511","","","","","","1.086","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335459","10.2358","0.0008","14.211","0.0012","11.9534","0.001","90","","90.376","0.004","90","","1738.7","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H52 B2 I2 P2 Pt -","- C30 H52 B2 I2 P2 Pt -","- C60 H104 B4 I4 P4 Pt2 -","2","1","","Holger Braunschweig; Alexander Damme; Thomas Kupfer","Diboran(4)yl Platinum(II) Complexes","Inorganic Chemistry","2013","52","","7822","7824","10.1021/ic400641a","","","0.71073","MoKα","","0.0185","0.0171","","","0.0439","0.0455","","","","","","1.118","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335460","9.1831","0.0007","15.2072","0.0012","14.8233","0.0012","90","","105.077","0.003","90","","1998.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 B2 Cl2 -","- C20 H26 B2 Cl2 -","- C80 H104 B8 Cl8 -","4","1","","Holger Braunschweig; Alexander Damme; Thomas Kupfer","Diboran(4)yl Platinum(II) Complexes","Inorganic Chemistry","2013","52","","7822","7824","10.1021/ic400641a","","","0.71073","MoKα","","0.0602","0.0502","","","0.1368","0.1419","","","","","","1.081","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335461","7.1272","0.0012","17.269","0.003","18.462","0.003","90","","90","","90","","2272.3","0.7","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H11 Cl3 N2 S6 -","- C19 H11 Cl3 N2 S6 -","- C76 H44 Cl12 N8 S24 -","4","1","","Lawrence K. Keniley Jr.; Nathalie Dupont; Lipika Ray; Jie Ding; Kirill Kovnir; Jordan M. Hoyt; Andreas Hauser; Michael Shatruk","Complexes with Redox-Active Ligands: Synthesis, Structure, and Electrochemical and Photophysical Behavior of the Ru(II) Complex with TTF-Annulated Phenanthroline","Inorganic Chemistry","2013","52","","8040","8052","10.1021/ic4006949","","","0.71073","MoKα","","0.1359","0.0509","","","0.0748","0.0975","","","","","","0.952","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335462","3.8512","0.0013","10.297","0.003","28.547","0.009","90","","91.511","0.004","90","","1131.7","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 N2 S3 -","- C13 H6 N2 S3 -","- C52 H24 N8 S12 -","4","1","","Lawrence K. Keniley Jr.; Nathalie Dupont; Lipika Ray; Jie Ding; Kirill Kovnir; Jordan M. Hoyt; Andreas Hauser; Michael Shatruk","Complexes with Redox-Active Ligands: Synthesis, Structure, and Electrochemical and Photophysical Behavior of the Ru(II) Complex with TTF-Annulated Phenanthroline","Inorganic Chemistry","2013","52","","8040","8052","10.1021/ic4006949","","","0.71073","MoKα","","0.0817","0.042","","","0.0771","0.0881","","","","","","0.975","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335463","22.57","0.02","22.54","0.02","32.53","0.03","90","","92.074","0.014","90","","16538","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45.17 H36.75 F12 N9.58 P2 Ru S6 -","- C45.1667 H36.75 F12 N9.58333 P2 Ru S6 -","- C542 H441 F144 N115 P24 Ru12 S72 -","12","3","","Lawrence K. Keniley Jr.; Nathalie Dupont; Lipika Ray; Jie Ding; Kirill Kovnir; Jordan M. Hoyt; Andreas Hauser; Michael Shatruk","Complexes with Redox-Active Ligands: Synthesis, Structure, and Electrochemical and Photophysical Behavior of the Ru(II) Complex with TTF-Annulated Phenanthroline","Inorganic Chemistry","2013","52","","8040","8052","10.1021/ic4006949","","","0.71073","MoKα","","0.167","0.0731","","","0.1781","0.227","","","","","","0.962","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335464","8.928","0.003","12.162","0.004","17.426","0.005","89.738","0.004","86.754","0.004","83.664","0.004","1877.6","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C34.54 H24.31 F12 N6.77 O P2 Ru S2 -","- C34.512 H24.268 F12 N6.756 O P2 Ru S2 -","- C69.024 H48.536 F24 N13.512 O2 P4 Ru2 S4 -","2","1","","Lawrence K. Keniley Jr.; Nathalie Dupont; Lipika Ray; Jie Ding; Kirill Kovnir; Jordan M. Hoyt; Andreas Hauser; Michael Shatruk","Complexes with Redox-Active Ligands: Synthesis, Structure, and Electrochemical and Photophysical Behavior of the Ru(II) Complex with TTF-Annulated Phenanthroline","Inorganic Chemistry","2013","52","","8040","8052","10.1021/ic4006949","","","0.71073","MoKα","","0.0852","0.0541","","","0.1377","0.1476","","","","","","1.019","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335465","14.2706","0.0009","23.201","0.0017","17.8901","0.0013","90","","102.025","0.004","90","","5793.3","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 Co F24 N6 O9 Ru2 -","- C44 H35 Co F23.979 N6 O9 Ru2 -","- C176 H140 Co4 F95.916 N24 O36 Ru8 -","4","1","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Binuclear Ruthenium Complexes of a Neutral Radical Bridging Ligand. A New ""Spin"" on Mixed Valency","Inorganic Chemistry","2013","52","","8053","8066","10.1021/ic400704j","","","0.71073","MoKα","","0.1113","0.0506","","","0.1183","0.1384","","","","","","0.968","","","","has coordinates,has disorder,has Fobs","179457","2020-10-21","18:00:00",""
"4335466","23.5778","0.0008","23.0939","0.0008","8.1395","0.0003","90","","101.639","0.002","90","","4340.9","0.3","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H49 N6 O9 Ru2 -","- C34 H49 N6 O9 Ru2 -","- C136 H196 N24 O36 Ru8 -","4","0.5","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Binuclear Ruthenium Complexes of a Neutral Radical Bridging Ligand. A New ""Spin"" on Mixed Valency","Inorganic Chemistry","2013","52","","8053","8066","10.1021/ic400704j","","","0.71073","MoKα","","0.0498","0.0304","","","0.0747","0.0809","","","","","","1.035","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335467","14.0376","0.0005","22.8405","0.0011","15.5075","0.0007","90","","114.362","0.002","90","","4529.4","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54.5 F6 N6 O9.75 P Ru2 -","- C36 H54 F6 N6 O9.75 P Ru2 -","- C144 H216 F24 N24 O39 P4 Ru8 -","4","1","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Binuclear Ruthenium Complexes of a Neutral Radical Bridging Ligand. A New ""Spin"" on Mixed Valency","Inorganic Chemistry","2013","52","","8053","8066","10.1021/ic400704j","","","0.71073","MoKα","","0.0797","0.0394","","","0.0709","0.0888","","","","","","1.093","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335468","9.415","0.0002","21.9928","0.0005","22.536","0.0006","90","","97.513","0.001","90","","4626.29","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H49 F12 N6 O9 P2 Ru2 -","- C34 H49 F12 N6 O9 P2 Ru2 -","- C136 H196 F48 N24 O36 P8 Ru8 -","4","1","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Binuclear Ruthenium Complexes of a Neutral Radical Bridging Ligand. A New ""Spin"" on Mixed Valency","Inorganic Chemistry","2013","52","","8053","8066","10.1021/ic400704j","","","0.71073","MoKα","","0.047","0.0314","","","0.0679","0.0749","","","","","","1.027","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335469","20.0533","0.0013","9.9881","0.0005","26.4832","0.0017","90","","90","","90","","5304.4","0.6","173","2","173.15","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C35 H27 Cl2 F30 N6 O9 P Ru2 -","- C35 H27 Cl2 F30 N6 O9 P Ru2 -","- C140 H108 Cl8 F120 N24 O36 P4 Ru8 -","4","1","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Binuclear Ruthenium Complexes of a Neutral Radical Bridging Ligand. A New ""Spin"" on Mixed Valency","Inorganic Chemistry","2013","52","","8053","8066","10.1021/ic400704j","","","0.71073","MoKα","","0.0634","0.0431","","","0.0835","0.0941","","","","","","1.084","","","","has coordinates,has disorder,has Fobs","179457","2020-10-21","18:00:00",""
"4335470","12.0677","0.0015","12.7539","0.0016","16.56","0.002","71.983","0.005","81.323","0.006","89.108","0.006","2394.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H25 F24 N6 O9 Ru2 -","- C34 H25 F24 N6 O9 Ru2 -","- C68 H50 F48 N12 O18 Ru4 -","2","1","","Stephen D. J. McKinnon; Brian O. Patrick; A. B. P. Lever; Robin G. Hicks","Binuclear Ruthenium Complexes of a Neutral Radical Bridging Ligand. A New ""Spin"" on Mixed Valency","Inorganic Chemistry","2013","52","","8053","8066","10.1021/ic400704j","","","0.71073","MoKα","","0.0403","0.0297","","","0.0663","0.0734","","","","","","1.055","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335471","21.6833","0.0008","11.0827","0.0004","17.6206","0.0006","90","","97.354","0.003","90","","4199.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H36 Fe N6 -","- C54 H36 Fe N6 -","- C216 H144 Fe4 N24 -","4","0.5","","Arkaitz Fidalgo-Marijuan; Gotzone Barandika; Begoña Bazán; Miren Karmele Urtiaga; Luis Lezama; María Isabel Arriortua","Fe-TPP Coordination Network with Metalloporphyrinic Neutral Radicals and Face-to-Face and Edge-to-Face π-π Stacking","Inorganic Chemistry","2013","52","","8074","8081","10.1021/ic4007372","","","0.71073","MoKα","","0.0513","0.0351","","","0.0714","0.0738","","","","","","0.91","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335472","24.796","0.003","9.1235","0.0005","14.5153","0.0015","90","","124.31","0.015","90","","2712.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N O7 Tb -","- C14 H9 N O7 Tb -","- C112 H72 N8 O56 Tb8 -","8","1","","Jing-Min Zhou; Wei Shi; Na Xu; Peng Cheng","Highly Selective Luminescent Sensing of Fluoride and Organic Small-Molecule Pollutants Based on Novel Lanthanide Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","8082","8090","10.1021/ic400770j","","","0.7107","MoKα","","0.0238","0.0228","","","0.0576","0.0581","","","","","","1.126","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335473","24.891","0.003","9.1781","0.0006","14.5217","0.0015","90","","124.31","0.016","90","","2740.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Eu N O7 -","- C14 H9 Eu N O7 -","- C112 H72 Eu8 N8 O56 -","8","1","","Jing-Min Zhou; Wei Shi; Na Xu; Peng Cheng","Highly Selective Luminescent Sensing of Fluoride and Organic Small-Molecule Pollutants Based on Novel Lanthanide Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","8082","8090","10.1021/ic400770j","","","0.7107","MoKα","","0.0208","0.0194","","","0.0466","0.0475","","","","","","1.043","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335474","7.6066","0.0002","8.1217","0.0002","9.9237","0.0003","90","","108.348","0.002","90","","581.9","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Europium(II) Borate","","","- B8 Eu O15 -","- B8 Eu O15 -","- B16 Eu2 O30 -","2","1","","Matthew J. Polinski; Justin N. Cross; Eric M. Villa; Jian Lin; Evgeny V. Alekseev; Wulf Depmeier; Thomas E. Albrecht-Schmitt","Synthesis of Divalent Europium Borate via in Situ Reductive Techniques","Inorganic Chemistry","2013","52","","8099","8105","10.1021/ic400781x","","","0.71073","MoKα","","0.0187","0.0177","","","0.0452","0.0455","","","","","","1.189","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335475","7.8654","0.0006","12.8074","0.0011","13.3055","0.0012","65.149","0.004","72.991","0.004","85.489","0.004","1161.51","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(OC-6-54)-Dichlorido(N,N-dimethylethane-1,2-diamine)hydroxido[(2E)-3- phenylprop-2-enoato]platinum(IV)","","- C22 H26 Cl2 N2 O4 Pt -","- C22 H26 Cl2 N2 O4 Pt -","- C44 H52 Cl4 N4 O8 Pt2 -","2","1","","Verena Pichler; Simone Göschl; Samuel M. Meier; Alexander Roller; Michael A. Jakupec; Markus Galanski; Bernhard K. Keppler","Bulky N(,N)-(Di)alkylethane-1,2-diamineplatinum(II) Compounds as Precursors for Generating Unsymmetrically Substituted Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","8151","8162","10.1021/ic400816g","","","0.71073","MoKα","","0.0566","0.037","","","0.0657","0.0716","","","","","","0.963","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335476","7.8017","0.0005","12.6113","0.0008","11.9901","0.0007","90","","98.306","0.002","90","","1167.33","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(OC-6-54)-Acetatodichlorido(N,N-dimethylethane-1,2-diamine)- hydroxidoplatinum(IV)","","- C6 H16 Cl2 N2 O3 Pt -","- C6 H16 Cl2 N2 O3 Pt -","- C24 H64 Cl8 N8 O12 Pt4 -","4","1","","Verena Pichler; Simone Göschl; Samuel M. Meier; Alexander Roller; Michael A. Jakupec; Markus Galanski; Bernhard K. Keppler","Bulky N(,N)-(Di)alkylethane-1,2-diamineplatinum(II) Compounds as Precursors for Generating Unsymmetrically Substituted Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","8151","8162","10.1021/ic400816g","","","0.71073","MoKα","","0.0247","0.0232","","","0.0624","0.0629","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335477","7.3751","0.0004","7.718","0.0004","12.7856","0.0009","101.004","0.002","96.95","0.003","109.822","0.002","658.33","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","(OC-6-54)-Acetatodichlorido(N,N-diethylethane-1,2-diamine)- hxdroxidoplatinum(IV)","","- C8 H20 Cl2 N2 O3 Pt -","- C8 H20 Cl2 N2 O3 Pt -","- C16 H40 Cl4 N4 O6 Pt2 -","2","1","","Verena Pichler; Simone Göschl; Samuel M. Meier; Alexander Roller; Michael A. Jakupec; Markus Galanski; Bernhard K. Keppler","Bulky N(,N)-(Di)alkylethane-1,2-diamineplatinum(II) Compounds as Precursors for Generating Unsymmetrically Substituted Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","8151","8162","10.1021/ic400816g","","","0.71073","MoKα","","0.0182","0.0155","","","0.0332","0.034","","","","","","1.008","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335478","10.3015","0.0003","22.4208","0.0008","7.821","0.0003","90","","111.494","0.001","90","","1680.78","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(OC-6-43)-Diacetatodichlorido(N-cyclohexylethane-1,2-diamine)platinum(IV)","","- C12 H24 Cl2 N2 O4 Pt -","- C12 H24 Cl2 N2 O4 Pt -","- C48 H96 Cl8 N8 O16 Pt4 -","4","1","","Verena Pichler; Simone Göschl; Samuel M. Meier; Alexander Roller; Michael A. Jakupec; Markus Galanski; Bernhard K. Keppler","Bulky N(,N)-(Di)alkylethane-1,2-diamineplatinum(II) Compounds as Precursors for Generating Unsymmetrically Substituted Platinum(IV) Complexes","Inorganic Chemistry","2013","52","","8151","8162","10.1021/ic400816g","","","0.71073","MoKα","","0.0306","0.0249","","","0.0517","0.0538","","","","","","1.036","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335479","15.8517","0.0008","19.3635","0.001","21.9354","0.0011","90","","93.638","0.001","90","","6719.4","0.6","292","2","292","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","hexakis(tetrabutylammonium)decatantalate, hexahydrate","","- C96 H228 N6 O34 Ta10 -","- C96 H216 N6 O34 Ta10 -","- C192 H432 N12 O68 Ta20 -","2","0.5","","Miki Matsumoto; Yoshiki Ozawa; Atsushi Yagasaki; Yang Zhe","Decatantalate-The Last Member of the Group 5 Decametalate Family","Inorganic Chemistry","2013","52","","7825","7827","10.1021/ic400864e","","","0.71073","MoKα","","0.1053","0.0488","","","0.0878","0.1061","","","","","","1.009","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335480","15.5165","0.0003","19.4161","0.0004","21.6413","0.0005","90","","95.139","0.001","90","","6493.7","0.2","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","hexakis(tetrabutylammonium)decatantalate, hexahydrate","","- C96 H228 N6 O34 Ta10 -","- C96 H216 N6 O34 Ta10 -","- C192 H432 N12 O68 Ta20 -","2","0.5","","Miki Matsumoto; Yoshiki Ozawa; Atsushi Yagasaki; Yang Zhe","Decatantalate-The Last Member of the Group 5 Decametalate Family","Inorganic Chemistry","2013","52","","7825","7827","10.1021/ic400864e","","","0.71073","MoKα","","0.0874","0.0555","","","0.1261","0.1487","","","","","","1.061","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335481","16.979","0.008","14.865","0.007","22.255","0.01","90","","103.1","0.015","90","","5471","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H29 Cl2 N5 O5.5 -","- C28 H27 Cl2 N5 O5 -","- C224 H216 Cl16 N40 O40 -","8","1","","Peter Comba; Sebastian Hunoldt; Michael Morgen; Jens Pietzsch; Holger Stephan; Hubert Wadepohl","Optimization of Pentadentate Bispidines as Bifunctional Chelators for 64Cu Positron Emission Tomography (PET)","Inorganic Chemistry","2013","52","","8131","8143","10.1021/ic4008685","","x-ray","0.71073","MoKα","","0.0637","0.0467","","","0.1346","0.1451","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335482","21.953","0.009","12.135","0.006","22.342","0.01","90","","90","","90","","5952","5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H39 N5 O10 -","- C31 H39 N5 O10 -","- C248 H312 N40 O80 -","8","1","","Peter Comba; Sebastian Hunoldt; Michael Morgen; Jens Pietzsch; Holger Stephan; Hubert Wadepohl","Optimization of Pentadentate Bispidines as Bifunctional Chelators for 64Cu Positron Emission Tomography (PET)","Inorganic Chemistry","2013","52","","8131","8143","10.1021/ic4008685","","x-ray","0.71073","MoKα","","0.0648","0.045","","","0.1077","0.1215","","","","","","1.04","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335483","8.38878","0.00014","19.2154","0.0004","20.5559","0.0003","90","","97.9315","0.0015","90","","3281.79","0.1","99.9","0.2","99.9","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl2 Cu N5 O15 -","- C30 H33 Cl2 Cu N5 O15 -","- C120 H132 Cl8 Cu4 N20 O60 -","4","1","","Peter Comba; Sebastian Hunoldt; Michael Morgen; Jens Pietzsch; Holger Stephan; Hubert Wadepohl","Optimization of Pentadentate Bispidines as Bifunctional Chelators for 64Cu Positron Emission Tomography (PET)","Inorganic Chemistry","2013","52","","8131","8143","10.1021/ic4008685","","x-ray","1.5418","CuKα","","0.0363","0.0343","","","0.0932","0.0951","","","","","","1.072","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335484","8.40533","0.00015","10.48012","0.00017","16.5858","0.0003","88.7476","0.0013","83.8956","0.0014","88.9353","0.0014","1452.2","0.04","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Cl2 Cu N5 O13 -","- C24 H31 Cl2 Cu N5 O13 -","- C48 H62 Cl4 Cu2 N10 O26 -","2","1","","Peter Comba; Sebastian Hunoldt; Michael Morgen; Jens Pietzsch; Holger Stephan; Hubert Wadepohl","Optimization of Pentadentate Bispidines as Bifunctional Chelators for 64Cu Positron Emission Tomography (PET)","Inorganic Chemistry","2013","52","","8131","8143","10.1021/ic4008685","","x-ray","1.5418","CuKα","","0.0299","0.0285","","","0.0699","0.0708","","","","","","1.064","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335485","8.11061","0.00009","20.0135","0.0003","17.97434","0.00019","90","","101.539","0.0011","90","","2858.66","0.06","110","1","110","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl Cu N5 O10 -","- C26 H32 Cl Cu N5 O10 -","- C104 H128 Cl4 Cu4 N20 O40 -","4","1","","Peter Comba; Sebastian Hunoldt; Michael Morgen; Jens Pietzsch; Holger Stephan; Hubert Wadepohl","Optimization of Pentadentate Bispidines as Bifunctional Chelators for 64Cu Positron Emission Tomography (PET)","Inorganic Chemistry","2013","52","","8131","8143","10.1021/ic4008685","","x-ray","1.5418","CuKα","","0.0555","0.0507","","","0.1333","0.1373","","","","","","1.045","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335486","11.578","0.006","11.877","0.005","17.871","0.008","90","","96.096","0.012","90","","2444","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N5 O5 -","- C27 H31 N5 O5 -","- C108 H124 N20 O20 -","4","1","","Peter Comba; Sebastian Hunoldt; Michael Morgen; Jens Pietzsch; Holger Stephan; Hubert Wadepohl","Optimization of Pentadentate Bispidines as Bifunctional Chelators for 64Cu Positron Emission Tomography (PET)","Inorganic Chemistry","2013","52","","8131","8143","10.1021/ic4008685","","x-ray","0.71073","MoKα","","0.0687","0.0459","","","0.1157","0.1294","","","","","","1.038","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335487","10.966","0.002","19.026","0.004","21.044","0.004","90","","98.37","0.03","90","","4343.8","1.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 Cl8 Ni O4 P2 -","- C37 H44 Cl8 Ni O4 P2 -","- C148 H176 Cl32 Ni4 O16 P8 -","4","1","","Tiddo J. Mooibroek; Erica C. M. Wenker; Wietse Smit; Ilpo Mutikainen; Martin Lutz; Elisabeth Bouwman","Homogeneous Hydrogenation and Isomerization of 1-Octene Catalyzed by Nickel(II) Complexes with Bidentate Diarylphosphane Ligands","Inorganic Chemistry","2013","52","","8190","8201","10.1021/ic400973t","","","0.71073","MoKα","","0.0582","0.0397","","","0.0978","0.1088","","","","","","1.073","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335488","20.816","0.002","11.32","0.001","17.623","0.002","90","","100.13","0.01","90","","4087.9","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H50 I2 Ni O4 P2 -","- C39 H50 I2 Ni O4 P2 -","- C156 H200 I8 Ni4 O16 P8 -","4","0.5","","Tiddo J. Mooibroek; Erica C. M. Wenker; Wietse Smit; Ilpo Mutikainen; Martin Lutz; Elisabeth Bouwman","Homogeneous Hydrogenation and Isomerization of 1-Octene Catalyzed by Nickel(II) Complexes with Bidentate Diarylphosphane Ligands","Inorganic Chemistry","2013","52","","8190","8201","10.1021/ic400973t","","","0.71073","MoKα","","0.0272","0.0199","","","0.0469","0.0512","","","","","","1.128","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335489","11.9615","0.0005","15.2613","0.0007","22.5847","0.0009","97.836","0.002","101.56","0.001","96.226","0.002","3962.1","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H80 Cl2 F12 Ni2 O10 P6 -","- C67 H80 Cl2 F12 Ni2 O10 P6 -","- C134 H160 Cl4 F24 Ni4 O20 P12 -","2","1","","Tiddo J. Mooibroek; Erica C. M. Wenker; Wietse Smit; Ilpo Mutikainen; Martin Lutz; Elisabeth Bouwman","Homogeneous Hydrogenation and Isomerization of 1-Octene Catalyzed by Nickel(II) Complexes with Bidentate Diarylphosphane Ligands","Inorganic Chemistry","2013","52","","8190","8201","10.1021/ic400973t","","","0.71073","MoKα","","0.092","0.0569","","","0.1409","0.1538","","","","","","1.056","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335490","14.1806","0.0004","18.1253","0.0007","34.5607","0.0012","90","","112.339","0.0014","90","","8216.4","0.5","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 Cl2 Ni O4 P2 -","- C33 H38 Cl2 Ni O4 P2 -","- C264 H304 Cl16 Ni8 O32 P16 -","8","2","","Tiddo J. Mooibroek; Erica C. M. Wenker; Wietse Smit; Ilpo Mutikainen; Martin Lutz; Elisabeth Bouwman","Homogeneous Hydrogenation and Isomerization of 1-Octene Catalyzed by Nickel(II) Complexes with Bidentate Diarylphosphane Ligands","Inorganic Chemistry","2013","52","","8190","8201","10.1021/ic400973t","","","0.71073","MoKα","","0.0887","0.0618","","","0.1551","0.1673","","","","","","0.966","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335491","12.8383","0.0003","13.1291","0.0003","13.6642","0.0003","67.872","0.001","63.753","0.001","78.577","0.001","1912.18","0.08","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H44 F6 N Ni O6 P3 -","- C35 H44 F6 N Ni O6 P3 -","- C70 H88 F12 N2 Ni2 O12 P6 -","2","1","","Tiddo J. Mooibroek; Erica C. M. Wenker; Wietse Smit; Ilpo Mutikainen; Martin Lutz; Elisabeth Bouwman","Homogeneous Hydrogenation and Isomerization of 1-Octene Catalyzed by Nickel(II) Complexes with Bidentate Diarylphosphane Ligands","Inorganic Chemistry","2013","52","","8190","8201","10.1021/ic400973t","","","0.71073","MoKα","","0.0293","0.0255","","","0.0643","0.0664","","","","","","1.03","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335492","10.162","0.0006","14.7652","0.0009","28.6116","0.0018","90","","90","","90","","4293","0.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(ONO)ReO(PPh3)","Oxo(triphenylphosphine)(bis(3,5-di-tert-butyl-2-phenoxo)amido)rhenium(V)","","- C46 H55 N O3 P Re -","- C46 H55 N O3 P Re -","- C184 H220 N4 O12 P4 Re4 -","4","1","","Daniel D. Wright; Seth N. Brown","Nonclassical Oxygen Atom Transfer as a Synthetic Strategy: Preparation of an Oxorhenium(V) Complex of the Bis(3,5-di-tert-butyl-2-phenoxo)amide Ligand","Inorganic Chemistry","2013","52","","7831","7833","10.1021/ic4010592","","","0.71073","MoKα","","0.024","0.0204","","","0.0381","0.0387","","","","","","1.017","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335493","8.4491","0.0005","11.0002","0.0006","15.0329","0.0009","68.873","0.004","84.357","0.004","73.185","0.004","1247.52","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H43 Fe N2 O2 -","- C23 H43 Fe N2 O2 -","- C46 H86 Fe2 N4 O4 -","2","1","","Richard A. Lewis; Danil E. Smiles; Jonathan M. Darmon; S. Chantal E. Stieber; Guang Wu; Trevor W. Hayton","Reactivity and Mössbauer Spectroscopic Characterization of an Fe(IV) Ketimide Complex and Reinvestigation of an Fe(IV) Norbornyl Complex","Inorganic Chemistry","2013","52","","8218","8227","10.1021/ic401096p","","","0.71073","MoKα","","0.0436","0.0312","","","0.072","0.0767","","","","","","1.02","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335494","11.771","0.0005","10.0996","0.0004","9.7652","0.0004","90","","90","","90","","1160.91","0.08","100","2","100","2","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- C28 H44 Fe -","- C28 Fe -","- C56 Fe2 -","2","0.5","","Richard A. Lewis; Danil E. Smiles; Jonathan M. Darmon; S. Chantal E. Stieber; Guang Wu; Trevor W. Hayton","Reactivity and Mössbauer Spectroscopic Characterization of an Fe(IV) Ketimide Complex and Reinvestigation of an Fe(IV) Norbornyl Complex","Inorganic Chemistry","2013","52","","8218","8227","10.1021/ic401096p","","","0.71073","MoKα","","0.1353","0.1339","","","0.356","0.3659","","","","","","1.113","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335495","19.26","0.006","19.428","0.006","16.84","0.006","90","","108.316","0.006","90","","5982","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H104 Fe Li N4 O8 -","- C52 H104 Fe Li N4 O8 -","- C208 H416 Fe4 Li4 N16 O32 -","4","0.5","","Richard A. Lewis; Danil E. Smiles; Jonathan M. Darmon; S. Chantal E. Stieber; Guang Wu; Trevor W. Hayton","Reactivity and Mössbauer Spectroscopic Characterization of an Fe(IV) Ketimide Complex and Reinvestigation of an Fe(IV) Norbornyl Complex","Inorganic Chemistry","2013","52","","8218","8227","10.1021/ic401096p","","","0.71073","MoKα","","0.1017","0.0755","","","0.1882","0.2","","","","","","1.175","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335496","18.597","0.005","9.345","0.002","20.405","0.005","90","","94.75","0.006","90","","3534","1.5","143","1","143","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 Ce F30 N3 -","- C36 Ce F30 N3 -","- C144 Ce4 F120 N12 -","4","0.5","","Haolin Yin; Andrew J. Lewis; Patrick Carroll; Eric J. Schelter","Electrophilic Ln(III) Cations Protected by C-F →Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors","Inorganic Chemistry","2013","52","","8234","8243","10.1021/ic401130e","","","0.71073","MoKα","","0.0275","0.0262","","","0.0757","0.077","","","","","","1.126","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335497","19.663","0.003","10.0733","0.0013","20.19","0.003","90","","113.508","0.006","90","","3667.2","0.9","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 F30 La N3 -","- C36 F30 La N3 -","- C144 F120 La4 N12 -","4","1","","Haolin Yin; Andrew J. Lewis; Patrick Carroll; Eric J. Schelter","Electrophilic Ln(III) Cations Protected by C-F →Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors","Inorganic Chemistry","2013","52","","8234","8243","10.1021/ic401130e","","","0.71073","MoKα","","0.041","0.0302","","","0.0611","0.0672","","","","","","1.073","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335498","20.0824","0.0009","20.0824","0.0009","22.9594","0.0012","90","","90","","90","","9259.6","0.8","143","1","143","1","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C44 H20 Ce F30 N3 O2 -","- C44 H20 Ce F30 N3 O2 -","- C352 H160 Ce8 F240 N24 O16 -","8","0.5","","Haolin Yin; Andrew J. Lewis; Patrick Carroll; Eric J. Schelter","Electrophilic Ln(III) Cations Protected by C-F →Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors","Inorganic Chemistry","2013","52","","8234","8243","10.1021/ic401130e","","","0.71073","MoKα","","0.0581","0.0299","","","0.0633","0.0675","","","","","","1.015","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335499","10.449","0.003","11.307","0.003","18.92","0.005","83.687","0.011","88.692","0.01","71.854","0.009","2111.1","1","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C43 H8 Ce F30 N3 O -","- C43 H8 Ce F30 N3 O -","- C86 H16 Ce2 F60 N6 O2 -","2","1","","Haolin Yin; Andrew J. Lewis; Patrick Carroll; Eric J. Schelter","Electrophilic Ln(III) Cations Protected by C-F →Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors","Inorganic Chemistry","2013","52","","8234","8243","10.1021/ic401130e","","","0.71073","MoKα","","0.0243","0.0214","","","0.0506","0.0541","","","","","","1.134","","","","has coordinates","179457","2020-10-21","18:00:00",""
"4335500","10.2371","0.0006","21.3256","0.0013","19.2303","0.0011","90","","102.242","0.003","90","","4102.7","0.4","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H8 Ce F30 N3 -","- C43 H8 Ce F30 N3 -","- C172 H32 Ce4 F120 N12 -","4","1","","Haolin Yin; Andrew J. Lewis; Patrick Carroll; Eric J. Schelter","Electrophilic Ln(III) Cations Protected by C-F →Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors","Inorganic Chemistry","2013","52","","8234","8243","10.1021/ic401130e","","","0.71073","MoKα","","0.0329","0.0234","","","0.0545","0.0588","","","","","","1.034","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335501","10.5284","0.0014","21.974","0.003","22.152","0.003","73.699","0.006","84.583","0.006","88.439","0.007","4896.9","1.2","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C45 H12 Ce F30 N3 -","- C45 H12 Ce F30 N3 -","- C180 H48 Ce4 F120 N12 -","4","2","","Haolin Yin; Andrew J. Lewis; Patrick Carroll; Eric J. Schelter","Electrophilic Ln(III) Cations Protected by C-F →Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors","Inorganic Chemistry","2013","52","","8234","8243","10.1021/ic401130e","","","0.71073","MoKα","","0.0683","0.054","","","0.1333","0.138","","","","","","1.089","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335502","11.5901","0.0016","19.572","0.003","16.133","0.002","90","","108.472","0.006","90","","3471.1","0.8","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F10 N Na O -","- C16 H10 F10 N Na O -","- C128 H80 F80 N8 Na8 O8 -","8","2","","Haolin Yin; Andrew J. Lewis; Patrick Carroll; Eric J. Schelter","Electrophilic Ln(III) Cations Protected by C-F →Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors","Inorganic Chemistry","2013","52","","8234","8243","10.1021/ic401130e","","","0.71073","MoKα","","0.0569","0.0332","","","0.0775","0.0887","","","","","","1.012","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4335503","12.7902","0.0011","13.1639","0.0013","20.981","0.002","104.81","0.005","95.051","0.004","91.908","0.004","3396.2","0.6","143","1","143","1","","","","","","","","7","P -1","-P 1","2","","","","- C64 H40 Ce F40 N4 Na O4 -","- C64 H40 Ce F40 N4 Na O4 -","- C128 H80 Ce2 F80 N8 Na2 O8 -","2","1","","Haolin Yin; Andrew J. Lewis; Patrick Carroll; Eric J. Schelter","Electrophilic Ln(III) Cations Protected by C-F →Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors","Inorganic Chemistry","2013","52","","8234","8243","10.1021/ic401130e","","","0.71073","MoKα","","0.036","0.0286","","","0.0674","0.0723","","","","","","1.041","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335504","18.582","0.004","34.589","0.007","16.268","0.003","90","","103.81","0.03","90","","10154","4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H50 La2 N8 O20 -","- C66 H50 La2 N8 O20 -","- C264 H200 La8 N32 O80 -","4","1","","Jingui Duan; Masakazu Higuchi; Maw Lin Foo; Satoshi Horike; Koya Prabhakara Rao; Susumu Kitagawa","A Family of Rare Earth Porous Coordination Polymers with Different Flexibility for CO2/C2H4 and CO2/C2H6 Separation","Inorganic Chemistry","2013","52","","8244","8249","10.1021/ic401157n","","","0.71073","MoKα","","0.0752","0.0647","","","0.2054","0.2148","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335505","20.418","0.004","7.9129","0.0016","39.212","0.011","90","","121.27","0.02","90","","5415","2","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C33 H25 N4 O10 Y -","- C33 H25 N4 O10 Y -","- C132 H100 N16 O40 Y4 -","4","1","","Jingui Duan; Masakazu Higuchi; Maw Lin Foo; Satoshi Horike; Koya Prabhakara Rao; Susumu Kitagawa","A Family of Rare Earth Porous Coordination Polymers with Different Flexibility for CO2/C2H4 and CO2/C2H6 Separation","Inorganic Chemistry","2013","52","","8244","8249","10.1021/ic401157n","","","0.71073","MoKα","","0.1613","0.1358","","","0.3663","0.3821","","","","","","1.28","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335506","15.9808","0.0009","4.2363","0.0002","7.159","0.0004","90","","106.304","0.001","90","","465.17","0.04","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","gadolinium manganese indium germanide (4/2/1/4)","gadolinium manganese indium germanide (4/2/1/4)","","- Gd4 Ge4 In0.87 Mn2 -","- Gd4 Ge4 In0.866 Mn2 -","- Gd8 Ge8 In1.732 Mn4 -","2","0.25","","Anton O. Oliynyk; Stanislav S. Stoyko; Arthur Mar","Quaternary Germanides RE4Mn2InGe4 (RE = La-Nd, Sm, Gd-Tm, Lu)","Inorganic Chemistry","2013","52","","8264","8271","10.1021/ic401171v","","","0.71073","MoKα","","0.0221","0.0179","","","0.0362","0.0371","","","","","","1.095","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335507","16.646","0.002","4.419","0.0006","7.4834","0.001","90","","106.893","0.002","90","","526.72","0.12","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","lanthanum manganese indium germanide (4/2/1/4)","lanthanum manganese indium germanide (4/2/1/4)","","- Ge4 In0.94 La4 Mn2 -","- Ge4 In0.945 La4 Mn2 -","- Ge8 In1.89 La8 Mn4 -","2","0.25","","Anton O. Oliynyk; Stanislav S. Stoyko; Arthur Mar","Quaternary Germanides RE4Mn2InGe4 (RE = La-Nd, Sm, Gd-Tm, Lu)","Inorganic Chemistry","2013","52","","8264","8271","10.1021/ic401171v","","","0.71073","MoKα","","0.0234","0.0195","","","0.0406","0.0417","","","","","","1.054","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335508","16.4357","0.0006","4.3652","0.0002","7.3742","0.0003","90","","106.639","0.001","90","","506.91","0.04","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","cerium manganese indium germanide (4/2/1/4)","cerium manganese indium germanide (4/2/1/4)","","- Ce4 Ge4 In0.92 Mn2 -","- Ce4 Ge4 In0.927 Mn2 -","- Ce8 Ge8 In1.854 Mn4 -","2","0.25","","Anton O. Oliynyk; Stanislav S. Stoyko; Arthur Mar","Quaternary Germanides RE4Mn2InGe4 (RE = La-Nd, Sm, Gd-Tm, Lu)","Inorganic Chemistry","2013","52","","8264","8271","10.1021/ic401171v","","","0.71073","MoKα","","0.0176","0.0166","","","0.0379","0.0383","","","","","","1.164","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335509","16.3401","0.0011","4.347","0.0003","7.3425","0.0005","90","","106.721","0.001","90","","499.49","0.06","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","praseodymium manganese indium germanide (4/2/1/4)","praseodymium manganese indium germanide (4/2/1/4)","","- Ge4 In0.92 Mn2 Pr4 -","- Ge4 In0.921 Mn2 Pr4 -","- Ge8 In1.842 Mn4 Pr8 -","2","0.25","","Anton O. Oliynyk; Stanislav S. Stoyko; Arthur Mar","Quaternary Germanides RE4Mn2InGe4 (RE = La-Nd, Sm, Gd-Tm, Lu)","Inorganic Chemistry","2013","52","","8264","8271","10.1021/ic401171v","","","0.71073","MoKα","","0.0247","0.0203","","","0.0453","0.0468","","","","","","1.067","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335510","16.249","0.003","4.3313","0.0007","7.3185","0.0012","90","","106.813","0.002","90","","493.05","0.15","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","neodymium manganese indium germanide (4/2/1/4)","neodymium manganese indium germanide (4/2/1/4)","","- Ge4 In0.88 Mn2 Nd4 -","- Ge4 In0.881 Mn2 Nd4 -","- Ge8 In1.762 Mn4 Nd8 -","2","0.25","","Anton O. Oliynyk; Stanislav S. Stoyko; Arthur Mar","Quaternary Germanides RE4Mn2InGe4 (RE = La-Nd, Sm, Gd-Tm, Lu)","Inorganic Chemistry","2013","52","","8264","8271","10.1021/ic401171v","","","0.71073","MoKα","","0.0314","0.0264","","","0.0632","0.0656","","","","","","1.068","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335511","16.093","0.002","4.2718","0.0006","7.2124","0.001","90","","106.458","0.002","90","","475.51","0.11","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","samarium manganese indium germanide (4/2/1/4)","samarium manganese indium germanide (4/2/1/4)","","- Ge4 In0.9 Mn2 Sm4 -","- Ge4 In0.904 Mn2 Sm4 -","- Ge8 In1.808 Mn4 Sm8 -","2","0.25","","Anton O. Oliynyk; Stanislav S. Stoyko; Arthur Mar","Quaternary Germanides RE4Mn2InGe4 (RE = La-Nd, Sm, Gd-Tm, Lu)","Inorganic Chemistry","2013","52","","8264","8271","10.1021/ic401171v","","","0.71073","MoKα","","0.0252","0.0223","","","0.0516","0.0525","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335512","19.948","0.003","19.948","0.003","10.44","0.002","90","","90","","90","","4154.3","1.2","293","2","293","2","","","","","","","","3","P 42/m n m","-P 4n 2n","136","germanium-phosphor telluride","germanium-phosphor telluride","","- Ge129.28 P42.72 Te21.53 -","- Ge129.304 P42.64 Te21.536 -","- Ge129.304 P42.64 Te21.536 -","1","0.0625","","Maria A. Kirsanova; Takao Mori; Satofumi Maruyama; Artem M. Abakumov; Gustaaf Van Tendeloo; Andrei Olenev; Andrei V. Shevelkov","Cationic Clathrate of Type-III Ge172-xPxTey (y~ 21.5,x~ 2y): Synthesis, Crystal Structure and Thermoelectric Properties","Inorganic Chemistry","2013","52","","8272","8279","10.1021/ic401203r","","","0.71073","MoKα","","0.099","0.0543","","","0.1401","0.1526","","","","","","1.059","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335513","14.437","0.008","7.436","0.004","13.261","0.008","90","","115.77","0.02","90","","1282","1.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H12 F8 N4 Ti -","- C6 H12 F8 N4 Ti -","- C24 H48 F32 N16 Ti4 -","4","0.5","","Igor M. Shlyapnikov; Hélène P. A. Mercier; Evgeny A. Goreshnik; Gary J. Schrobilgen; Zoran Mazej","Crystal Structures and Raman Spectra of Imidazolium Poly[perfluorotitanate(IV)] Salts Containing the [TiF6]2-, ([Ti2F9]-)\ιnfty, and [Ti2F11]3- and the New [Ti4F20]4- and [Ti5F23]3- Anions","Inorganic Chemistry","2013","52","","8315","8326","10.1021/ic302468j","","","0.71073","MoKα","","0.1031","0.0882","","","0.2076","0.2181","","","","","","1.254","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335514","13.5371","0.0002","25.7451","0.0004","10.4139","0.0002","90","","100.98","0.001","90","","3562.95","0.1","200","","200","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C9 H15 F11 N6 Ti2 -","- C9 H15 F11 N6 Ti2 -","- C72 H120 F88 N48 Ti16 -","8","1","","Igor M. Shlyapnikov; Hélène P. A. Mercier; Evgeny A. Goreshnik; Gary J. Schrobilgen; Zoran Mazej","Crystal Structures and Raman Spectra of Imidazolium Poly[perfluorotitanate(IV)] Salts Containing the [TiF6]2-, ([Ti2F9]-)\ιnfty, and [Ti2F11]3- and the New [Ti4F20]4- and [Ti5F23]3- Anions","Inorganic Chemistry","2013","52","","8315","8326","10.1021/ic302468j","","","0.71069","MoKα","","0.0579","0.0481","","","0.1318","0.1416","","","","","","1.079","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335515","13.2139","0.0006","15.2093","0.0007","8.9514","0.0003","90","","129.69","0.001","90","","1384.35","0.1","293","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H20 F20 N8 Ti4 -","- C12 H20 F20 N8 Ti4 -","- C24 H40 F40 N16 Ti8 -","2","0.25","","Igor M. Shlyapnikov; Hélène P. A. Mercier; Evgeny A. Goreshnik; Gary J. Schrobilgen; Zoran Mazej","Crystal Structures and Raman Spectra of Imidazolium Poly[perfluorotitanate(IV)] Salts Containing the [TiF6]2-, ([Ti2F9]-)\ιnfty, and [Ti2F11]3- and the New [Ti4F20]4- and [Ti5F23]3- Anions","Inorganic Chemistry","2013","52","","8315","8326","10.1021/ic302468j","","","0.71069","MoKα","","0.0632","0.0518","","","0.146","0.1561","","","","","","1.106","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335516","8.791","0.003","9.971","0.004","10.126","0.004","118.808","0.008","92.366","0.003","113.595","0.008","681.7","0.5","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 F20 N8 Ti4 -","- C12 H20 F20 N8 Ti4 -","- C12 H20 F20 N8 Ti4 -","1","0.5","","Igor M. Shlyapnikov; Hélène P. A. Mercier; Evgeny A. Goreshnik; Gary J. Schrobilgen; Zoran Mazej","Crystal Structures and Raman Spectra of Imidazolium Poly[perfluorotitanate(IV)] Salts Containing the [TiF6]2-, ([Ti2F9]-)\ιnfty, and [Ti2F11]3- and the New [Ti4F20]4- and [Ti5F23]3- Anions","Inorganic Chemistry","2013","52","","8315","8326","10.1021/ic302468j","","","0.71069","MoKα","","0.0508","0.0466","","","0.1136","0.1181","","","","","","1.136","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335517","22.0259","0.0004","10.2622","0.0002","12.318","0.0002","90","","90","","90","","2784.29","0.09","200","","200","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C9 H15 F23 N6 Ti5 -","- C9 H15 F23 N6 Ti5 -","- C36 H60 F92 N24 Ti20 -","4","1","","Igor M. Shlyapnikov; Hélène P. A. Mercier; Evgeny A. Goreshnik; Gary J. Schrobilgen; Zoran Mazej","Crystal Structures and Raman Spectra of Imidazolium Poly[perfluorotitanate(IV)] Salts Containing the [TiF6]2-, ([Ti2F9]-)\ιnfty, and [Ti2F11]3- and the New [Ti4F20]4- and [Ti5F23]3- Anions","Inorganic Chemistry","2013","52","","8315","8326","10.1021/ic302468j","","","0.71069","MoKα","","0.0352","0.0317","","","0.0869","0.0898","","","","","","1.086","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335518","5.3978","0.0002","12.2169","0.0006","15.2345","0.0007","90","","90","","90","","1004.63","0.08","200","","298","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C3 H5 F9 N2 Ti2 -","- C3 H5 F9 N2 Ti2 -","- C12 H20 F36 N8 Ti8 -","4","0.5","","Igor M. Shlyapnikov; Hélène P. A. Mercier; Evgeny A. Goreshnik; Gary J. Schrobilgen; Zoran Mazej","Crystal Structures and Raman Spectra of Imidazolium Poly[perfluorotitanate(IV)] Salts Containing the [TiF6]2-, ([Ti2F9]-)\ιnfty, and [Ti2F11]3- and the New [Ti4F20]4- and [Ti5F23]3- Anions","Inorganic Chemistry","2013","52","","8315","8326","10.1021/ic302468j","","","0.71069","MoKα","","0.0599","0.0487","","","0.1396","0.1508","","","","","","1.151","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335519","5.3914","0.0003","15.4836","0.001","11.9543","0.0008","90","","90.977","0.004","90","","997.78","0.11","200","","200","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C3 H5 F9 N2 Ti2 -","- C3 H5 F9 N2 Ti2 -","- C12 H20 F36 N8 Ti8 -","4","1","","Igor M. Shlyapnikov; Hélène P. A. Mercier; Evgeny A. Goreshnik; Gary J. Schrobilgen; Zoran Mazej","Crystal Structures and Raman Spectra of Imidazolium Poly[perfluorotitanate(IV)] Salts Containing the [TiF6]2-, ([Ti2F9]-)\ιnfty, and [Ti2F11]3- and the New [Ti4F20]4- and [Ti5F23]3- Anions","Inorganic Chemistry","2013","52","","8315","8326","10.1021/ic302468j","","","0.71069","MoKα","","0.0731","0.0655","","","0.1526","0.1576","","","","","","1.221","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335520","15.4663","0.0019","9.6665","0.0012","14.6754","0.0018","90","","119.874","0.002","90","","1902.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 Cu2 N2 O10 -","- C12 H22 Cu2 N2 O10 -","- C48 H88 Cu8 N8 O40 -","4","0.5","","Verónica Paredes-García; Ricardo C. Santana; Rosa Madrid; Andrés Vega; Evgenia Spodine; Diego Venegas-Yazigi","Unusual Conformation of a Dinuclear Paddle Wheel Copper(II) Complex. Synthesis, Structural Characterization and EPR Studies","Inorganic Chemistry","2013","52","","8369","8377","10.1021/ic3027804","","","0.71073","MoKα","","0.0406","0.0392","","","0.1152","0.1158","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335521","7.7858","0.0002","11.9975","0.0003","13.7046","0.0003","99.845","0.001","91.251","0.001","99.378","0.001","1242.81","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H28 Ag N3 O5 S2 -","- C25 H28 Ag N3 O5 S2 -","- C50 H56 Ag2 N6 O10 S4 -","2","1","","Seul-Gi Lee; Ki-Min Park; Yoichi Habata; Shim Sung Lee","Endo- and Exocyclic Supramolecular Complexes of Mixed-Donor Macrocycles via [1:1] and [2:2] Cyclizations","Inorganic Chemistry","2013","52","","8416","8426","10.1021/ic400247q","","","0.71073","MoKα","","0.0312","0.0256","","","0.0593","0.062","","","","","","1.041","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335522","13.3879","0.0002","15.2353","0.0003","15.5975","0.0003","115.36","0.001","90.305","0.001","115.762","0.001","2516.4","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 Cd N6 O10 S4 -","- C50 H54 Cd N6 O10 S4 -","- C100 H108 Cd2 N12 O20 S8 -","2","1","","Seul-Gi Lee; Ki-Min Park; Yoichi Habata; Shim Sung Lee","Endo- and Exocyclic Supramolecular Complexes of Mixed-Donor Macrocycles via [1:1] and [2:2] Cyclizations","Inorganic Chemistry","2013","52","","8416","8426","10.1021/ic400247q","","","0.71073","MoKα","","0.0864","0.0567","","","0.1286","0.1462","","","","","","1.037","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335523","11.7296","0.0002","24.3066","0.0004","14.7652","0.0002","90","","97.654","0.001","90","","4172.15","0.11","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 Cl2 N7 Ni O10 S2 -","- C35 H43 Cl2 N7 Ni O10 S2 -","- C140 H172 Cl8 N28 Ni4 O40 S8 -","4","1","","Seul-Gi Lee; Ki-Min Park; Yoichi Habata; Shim Sung Lee","Endo- and Exocyclic Supramolecular Complexes of Mixed-Donor Macrocycles via [1:1] and [2:2] Cyclizations","Inorganic Chemistry","2013","52","","8416","8426","10.1021/ic400247q","","","0.71073","MoKα","","0.09","0.0513","","","0.112","0.1307","","","","","","1.017","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335524","10.6383","0.0013","11.9057","0.0014","19.717","0.002","90","","96.529","0.003","90","","2481.1","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 N6 Ni O10 S4 -","- C50 H56 N6 Ni O10 S4 -","- C100 H112 N12 Ni2 O20 S8 -","2","0.5","","Seul-Gi Lee; Ki-Min Park; Yoichi Habata; Shim Sung Lee","Endo- and Exocyclic Supramolecular Complexes of Mixed-Donor Macrocycles via [1:1] and [2:2] Cyclizations","Inorganic Chemistry","2013","52","","8416","8426","10.1021/ic400247q","","","0.71073","MoKα","","0.1361","0.0771","","","0.1971","0.2339","","","","","","1.037","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335525","13.3239","0.0012","10.9478","0.001","20.3601","0.0018","90","","94.546","0.005","90","","2960.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H62 Ag2 N10 O16 S4 -","- C54 H62 Ag2 N10 O16 S4 -","- C108 H124 Ag4 N20 O32 S8 -","2","0.5","","Seul-Gi Lee; Ki-Min Park; Yoichi Habata; Shim Sung Lee","Endo- and Exocyclic Supramolecular Complexes of Mixed-Donor Macrocycles via [1:1] and [2:2] Cyclizations","Inorganic Chemistry","2013","52","","8416","8426","10.1021/ic400247q","","","0.71073","MoKα","","0.1567","0.0604","","","0.1022","0.133","","","","","","0.97","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335526","8.4912","0.0003","14.4837","0.0005","20.2029","0.0006","90","","93.951","0.002","90","","2478.73","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H56 Ag2 N6 O10 S4 -","- C50 H56 Ag2 N6 O10 S4 -","- C100 H112 Ag4 N12 O20 S8 -","2","0.5","","Seul-Gi Lee; Ki-Min Park; Yoichi Habata; Shim Sung Lee","Endo- and Exocyclic Supramolecular Complexes of Mixed-Donor Macrocycles via [1:1] and [2:2] Cyclizations","Inorganic Chemistry","2013","52","","8416","8426","10.1021/ic400247q","","","0.71073","MoKα","","0.1274","0.0573","","","0.1178","0.1437","","","","","","1.004","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335527","21.1368","0.0003","25.1483","0.0003","14.0307","0.0002","90","","121.866","0.001","90","","6334.04","0.16","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C52 H69 Ag2 N11 O25 S4 -","- C52 H63 Ag2 N11 O25 S4 -","- C208 H252 Ag8 N44 O100 S16 -","4","1","","Seul-Gi Lee; Ki-Min Park; Yoichi Habata; Shim Sung Lee","Endo- and Exocyclic Supramolecular Complexes of Mixed-Donor Macrocycles via [1:1] and [2:2] Cyclizations","Inorganic Chemistry","2013","52","","8416","8426","10.1021/ic400247q","","","0.71073","MoKα","","0.061","0.0548","","","0.1466","0.1537","","","","","","1.032","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335528","21.5351","0.0004","13.454","0.0005","16.2783","0.0004","90","","92.024","0.002","90","","4713.4","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H46 N4 O9.5 Ru2 -","- C48 H46 N4 O9.5 Ru2 -","- C192 H184 N16 O38 Ru8 -","4","0.5","","Prasenjit Mondal; Fabian Ehret; Martina Bubrin; Amit Das; Shaikh M. Mobin; Wolfgang Kaim; Goutam Kumar Lahiri","A Diruthenium Complex of a ""Nindigo"" Ligand","Inorganic Chemistry","2013","52","","8467","8475","10.1021/ic400390b","","","0.71073","MoKα","","0.0475","0.0379","","","0.0982","0.1059","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335529","32.006","0.008","14.851","0.004","11.859","0.003","90","","90","","90","","5637","3","269","1","269","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H36 Dy N27 O33 -","- C36 H36 Dy N27 O33 -","- C144 H144 Dy4 N108 O132 -","4","1","","Min Ren; Dawid Pinkowicz; Minyoung Yoon; Kimoon Kim; Li-Min Zheng; Brian K. Breedlove; Masahiro Yamashita","Dy(III) Single-Ion Magnet Showing Extreme Sensitivity to (De)hydration","Inorganic Chemistry","2013","52","","8342","8348","10.1021/ic400430q","","","0.71073","MoKα","","0.066","0.0499","","","0.1195","0.1279","","","","","","1.072","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335530","10.4293","0.0003","15.1047","0.0003","22.6113","0.0006","90","","102.094","0.001","90","","3482.93","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Dipyridylzinc","","","- C31 H29 N9 O12 Zn2 -","- C31 H29 N9 O12 Zn2 -","- C124 H116 N36 O48 Zn8 -","4","1","","Celina Gwizdala; Prem N. Basa; John C. MacDonald; Shawn C. Burdette","Increasing the Dynamic Range of Metal Ion Affinity Changes in Zn2+ Photocages Using Multiple Nitrobenzyl Groups","Inorganic Chemistry","2013","52","","8483","8494","10.1021/ic400465g","","","0.71073","MoKα","","0.08","0.0674","","","0.1615","0.1709","","","","","","1.294","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335531","22.191","0.003","16.576","0.0019","12.8734","0.0016","90","","94.59","0.004","90","","4720.1","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Diacidzn","","","- C46 H44 Cl3 K N6 O9 Zn3 -","- C46 H44 Cl3 K N6 O9 Zn3 -","- C184 H176 Cl12 K4 N24 O36 Zn12 -","4","1","","Celina Gwizdala; Prem N. Basa; John C. MacDonald; Shawn C. Burdette","Increasing the Dynamic Range of Metal Ion Affinity Changes in Zn2+ Photocages Using Multiple Nitrobenzyl Groups","Inorganic Chemistry","2013","52","","8483","8494","10.1021/ic400465g","","","0.71073","MoKα","","0.0585","0.0471","","","0.1019","0.1153","","","","","","1.228","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335532","11.1497","0.0005","12.5085","0.0006","13.6122","0.0007","74.814","0.001","71.075","0.001","83.015","0.001","1731.71","0.14","130","2","130","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C38 H29 F6 Ir N7 P -","- C38 H29 F6 Ir N7 P -","- C76 H58 F12 Ir2 N14 P2 -","2","1","","Loïc Donato; Catherine E. McCusker; Felix N. Castellano; Eli Zysman-Colman","Mono- and Dinuclear Cationic Iridium(III) Complexes Bearing a 2,5-Dipyridylpyrazine (2,5-dpp) Ligand","Inorganic Chemistry","2013","52","","8495","8504","10.1021/ic400478d","","x-ray","1.54186","CuKα","","0.0383","0.0377","","","0.1067","0.1073","","","","","","1.162","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335533","11.2607","0.0002","14.4336","0.0003","20.5151","0.0004","101.33","0.001","90.017","0.001","90.029","0.001","3269.39","0.11","130","2","130","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C62 H48 F12 Ir2 N10 P2 -","- C62 H48 F12 Ir2 N10 P2 -","- C124 H96 F24 Ir4 N20 P4 -","2","1","","Loïc Donato; Catherine E. McCusker; Felix N. Castellano; Eli Zysman-Colman","Mono- and Dinuclear Cationic Iridium(III) Complexes Bearing a 2,5-Dipyridylpyrazine (2,5-dpp) Ligand","Inorganic Chemistry","2013","52","","8495","8504","10.1021/ic400478d","","x-ray","1.54186","CuKα","","0.0928","0.0837","","","0.2122","0.22","","","","","","1.077","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335534","24.469","0.0004","24.469","0.0004","17.8752","0.0013","90","","90","","90","","10702.5","0.8","100","10","100","10","","","","","","","","7","P 4 n c","P 4 -2n","104","","","","- C208 H132 Cl16 Dy N20 O20 Y -","- C208 H124 Cl16 Dy N20 O20 Y -","- C416 H248 Cl32 Dy2 N40 O40 Y2 -","2","0.25","","Jinglan Kan; Hailong Wang; Wei Sun; Wei Cao; Jun Tao; Jianzhuang Jiang","Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds. Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature","Inorganic Chemistry","2013","52","","8505","8510","10.1021/ic400485y","","","1.54178","CuKα","","0.1319","0.1129","","","0.3115","0.3297","","","","","","1.397","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335535","24.4126","0.0002","24.4126","0.0002","18.0724","0.0004","90","","90","","90","","10770.7","0.3","126","9","126","9","","","","","","","","6","P 4 n c","P 4 -2n","104","","","","- C212 H129 Cl28 Dy2 N20 O16 -","- C212 H124 Cl28 Dy2 N20 O16 -","- C424 H248 Cl56 Dy4 N40 O32 -","2","0.25","","Jinglan Kan; Hailong Wang; Wei Sun; Wei Cao; Jun Tao; Jianzhuang Jiang","Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds. Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature","Inorganic Chemistry","2013","52","","8505","8510","10.1021/ic400485y","","","1.54178","CuKα","","0.0774","0.067","","","0.1934","0.2032","","","","","","1.091","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335536","24.4237","0.0001","24.4237","0.0001","18.1193","0.0003","90","","90","","90","","10808.5","0.19","107","20","107","20","","","","","","","","7","P 4 n c","P 4 -2n","104","","","","- C212 H136 Cl28 Dy N20 O20 Y -","- C212 H124 Cl28 Dy N20 O20 Y -","- C424 H248 Cl56 Dy2 N40 O40 Y2 -","2","0.25","","Jinglan Kan; Hailong Wang; Wei Sun; Wei Cao; Jun Tao; Jianzhuang Jiang","Sandwich-Type Mixed Tetrapyrrole Rare-Earth Triple-Decker Compounds. Effect of the Coordination Geometry on the Single-Molecule-Magnet Nature","Inorganic Chemistry","2013","52","","8505","8510","10.1021/ic400485y","","","1.54178","CuKα","","0.0882","0.0808","","","0.2188","0.2269","","","","","","1.099","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335537","17.3675","0.0004","13.8639","0.0003","26.2164","0.0007","90","","96.689","0.001","90","","6269.4","0.3","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H88 N4 O16 U2 -","- C57 H88 N4 O16 U2 -","- C228 H352 N16 O64 U8 -","4","0.5","","Antti Riisiö; Ari Väisänen; Reijo Sillanpää","Uranyl Complexes of Alkyl-Bridged Ditopic Diaminotetraphenol Ligands and Their Use as Uranyl Ion Extractors","Inorganic Chemistry","2013","52","","8591","8600","10.1021/ic400663y","","x-ray","0.71073","MoKα","","0.0454","0.0311","","","0.0563","0.0601","","","","","","1.032","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335538","11.4371","0.0003","11.9448","0.0004","14.2944","0.0004","110.055","0.003","100.201","0.002","108.498","0.003","1647.6","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H94 N4 O16 U2 -","- C60 H94 N4 O16 U2 -","- C60 H94 N4 O16 U2 -","1","0.5","","Antti Riisiö; Ari Väisänen; Reijo Sillanpää","Uranyl Complexes of Alkyl-Bridged Ditopic Diaminotetraphenol Ligands and Their Use as Uranyl Ion Extractors","Inorganic Chemistry","2013","52","","8591","8600","10.1021/ic400663y","","","0.71073","MoKα","","0.0265","0.0217","","","0.0492","0.0514","","","","","","1.033","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335539","16.7441","0.0003","30.2719","0.0006","16.3369","0.0003","90","","93.939","0.001","90","","8261.2","0.3","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H114 Cl4 N8 O20 U2 -","- C68 H114 Cl4 N8 O20 U2 -","- C272 H456 Cl16 N32 O80 U8 -","4","1","","Antti Riisiö; Ari Väisänen; Reijo Sillanpää","Uranyl Complexes of Alkyl-Bridged Ditopic Diaminotetraphenol Ligands and Their Use as Uranyl Ion Extractors","Inorganic Chemistry","2013","52","","8591","8600","10.1021/ic400663y","","x-ray","0.71073","MoKα","","0.0572","0.0361","","","0.0768","0.0848","","","","","","1.04","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335540","14.701","0.0003","16.8936","0.0003","19.0443","0.0004","79.689","0.001","82.35","0.001","64.43","0.001","4189.25","0.15","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H117 N9 O14 S2 U2 -","- C72 H117 N9 O14 S2 U2 -","- C144 H234 N18 O28 S4 U4 -","2","1","","Antti Riisiö; Ari Väisänen; Reijo Sillanpää","Uranyl Complexes of Alkyl-Bridged Ditopic Diaminotetraphenol Ligands and Their Use as Uranyl Ion Extractors","Inorganic Chemistry","2013","52","","8591","8600","10.1021/ic400663y","","x-ray","0.71073","MoKα","","0.0564","0.0366","","","0.0751","0.0829","","","","","","1.014","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335541","13.4717","0.0003","15.1909","0.0003","15.4542","0.0003","103.187","0.001","107.466","0.001","91.574","0.001","2921.58","0.11","123","2","123","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C112 H164 Cl8 N4 O12 U2 -","- C112 H164 Cl8 N4 O12 U2 -","- C112 H164 Cl8 N4 O12 U2 -","1","0.5","","Antti Riisiö; Ari Väisänen; Reijo Sillanpää","Uranyl Complexes of Alkyl-Bridged Ditopic Diaminotetraphenol Ligands and Their Use as Uranyl Ion Extractors","Inorganic Chemistry","2013","52","","8591","8600","10.1021/ic400663y","","x-ray","0.71073","MoKα","","0.0515","0.0412","","","0.0923","0.0969","","","","","","1.054","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335542","13.436","0.0003","15.2076","0.0004","15.1051","0.0005","98.818","0.001","94.714","0.002","95.312","0.002","3022.23","0.15","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C122 H178 N10 O12 U2 -","- C122 H178 N10 O12 U2 -","- C122 H178 N10 O12 U2 -","1","0.5","","Antti Riisiö; Ari Väisänen; Reijo Sillanpää","Uranyl Complexes of Alkyl-Bridged Ditopic Diaminotetraphenol Ligands and Their Use as Uranyl Ion Extractors","Inorganic Chemistry","2013","52","","8591","8600","10.1021/ic400663y","","x-ray","0.71073","MoKα","","0.0516","0.0389","","","0.0768","0.0812","","","","","","1.029","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335543","7.8121","0.0004","8.5243","0.0004","9.0869","0.0006","84.285","0.002","70.705","0.002","80.472","0.001","562.6","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 N4 Na2 O12 V2 -","- C16 H18 N4 Na2 O12 V2 -","- C16 H18 N4 Na2 O12 V2 -","1","0.5","","Samik Gupta; Marina V. Kirillova; M. Fátima C. Guedes da Silva; Armando J. L. Pombeiro; Alexander M. Kirillov","Alkali Metal Directed Assembly of Heterometallic Vv/M (M = Na, K, Cs) Coordination Polymers: Structures, Topological Analysis, and Oxidation Catalytic Properties","Inorganic Chemistry","2013","52","","8601","8611","10.1021/ic400743h","","","0.71069","MoKα","","0.038","0.0317","","","0.0891","0.0939","","","","","","1.024","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4335544","8.9859","0.0004","7.2879","0.0004","17.9664","0.0007","90","","91.315","0.002","90","","1176.28","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 K2 N4 O12 V2 -","- C16 H18 K2 N4 O12 V2 -","- C32 H36 K4 N8 O24 V4 -","2","0.5","","Samik Gupta; Marina V. Kirillova; M. Fátima C. Guedes da Silva; Armando J. L. Pombeiro; Alexander M. Kirillov","Alkali Metal Directed Assembly of Heterometallic Vv/M (M = Na, K, Cs) Coordination Polymers: Structures, Topological Analysis, and Oxidation Catalytic Properties","Inorganic Chemistry","2013","52","","8601","8611","10.1021/ic400743h","","","0.71069","MoKα","","0.0319","0.0263","","","0.0689","0.072","","","","","","1.049","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4335545","7.4312","0.0002","9.2421","0.0003","10.1449","0.0003","64.38","0.001","83.907","0.002","77.949","0.001","614.3","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H9 Cs N2 O6 V -","- C8 H9 Cs N2 O6 V -","- C16 H18 Cs2 N4 O12 V2 -","2","1","","Samik Gupta; Marina V. Kirillova; M. Fátima C. Guedes da Silva; Armando J. L. Pombeiro; Alexander M. Kirillov","Alkali Metal Directed Assembly of Heterometallic Vv/M (M = Na, K, Cs) Coordination Polymers: Structures, Topological Analysis, and Oxidation Catalytic Properties","Inorganic Chemistry","2013","52","","8601","8611","10.1021/ic400743h","","","0.71069","MoKα","","0.017","0.0162","","","0.0418","0.0424","","","","","","0.977","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335546","25.4252","0.0004","24.6889","0.0004","28.3278","0.0005","90","","90","","90","","17781.9","0.5","123","","123","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C96 Co4 N6 O80 Si2 W20 -","- C96 Co4 N6 O80 Si2 W20 -","- C384 Co16 N24 O320 Si8 W80 -","4","0.5","","Yuji Kikukawa; Kosuke Suzuki; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis, Structure Characterization, and Reversible Transformation of a Cobalt Salt of a Dilacunary γ-Keggin Silicotungstate and Sandwich-Type Di- and Tetracobalt-Containing Silicotungstate Dimers","Inorganic Chemistry","2013","52","","8644","8652","10.1021/ic4008075","","x-ray","0.71069","MoKα","","","0.098","","","","0.2793","","","","","","1.048","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335547","36.4762","0.0003","23.461","0.0002","23.0799","0.0002","90","","112.514","0.001","90","","18245.7","0.3","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 Co4 N22 O111 Si2 W20 -","- C81 Co4 N22 O111 Si2 W20 -","- C324 Co16 N88 O444 Si8 W80 -","4","0.5","","Yuji Kikukawa; Kosuke Suzuki; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis, Structure Characterization, and Reversible Transformation of a Cobalt Salt of a Dilacunary γ-Keggin Silicotungstate and Sandwich-Type Di- and Tetracobalt-Containing Silicotungstate Dimers","Inorganic Chemistry","2013","52","","8644","8652","10.1021/ic4008075","","x-ray","0.71069","MoKα","","","0.0566","","","","0.1396","","","","","","1.184","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335548","24.297","0.0001","25.1429","0.0002","27.2971","0.0002","98.983","0.001","97.003","0.001","96.09","","16214.6","0.2","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C196 Co4 N16 O152 Si4 W40 -","- C195.97 Co4 N16 O152 Si4 W40 -","- C391.94 Co8 N32 O304 Si8 W80 -","2","1","","Yuji Kikukawa; Kosuke Suzuki; Kazuya Yamaguchi; Noritaka Mizuno","Synthesis, Structure Characterization, and Reversible Transformation of a Cobalt Salt of a Dilacunary γ-Keggin Silicotungstate and Sandwich-Type Di- and Tetracobalt-Containing Silicotungstate Dimers","Inorganic Chemistry","2013","52","","8644","8652","10.1021/ic4008075","","x-ray","0.71069","MoKα","","","0.0571","","","","0.1516","","","","","","1.039","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335549","9.249","0.0002","20.722","0.0004","18.0289","0.0003","90","","92.442","0.001","90","","3452.24","0.12","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Mn N10 O4 W -","- C36 H30 Mn N10 O4 W -","- C144 H120 Mn4 N40 O16 W4 -","4","1","","Jin Wuk Lee; Kwang Soo Lim; Dae Won Ryu; Eui Kwan Koh; Sung Won Yoon; Byoung Jin Suh; Chang Seop Hong","Cyanide-Bridged WVMnIII Bimetallic Chains Composed of a Blocked W Hexacyanide Precursor: Geometry-Related Magnetic Couplings and Magnetostructural Correlation","Inorganic Chemistry","2013","52","","8677","8684","10.1021/ic400845z","","","0.71073","MoKα","","0.0652","0.0372","","","0.0736","0.0836","","","","","","1.01","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335550","9.2036","0.0002","21.1875","0.0005","18.0645","0.0004","90","","92.853","0.001","90","","3518.23","0.14","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H32 Mn N10 O4 W -","- C37 H32 Mn N10 O4 W -","- C148 H128 Mn4 N40 O16 W4 -","4","1","","Jin Wuk Lee; Kwang Soo Lim; Dae Won Ryu; Eui Kwan Koh; Sung Won Yoon; Byoung Jin Suh; Chang Seop Hong","Cyanide-Bridged WVMnIII Bimetallic Chains Composed of a Blocked W Hexacyanide Precursor: Geometry-Related Magnetic Couplings and Magnetostructural Correlation","Inorganic Chemistry","2013","52","","8677","8684","10.1021/ic400845z","","","0.71073","MoKα","","0.1072","0.0464","","","0.0629","0.073","","","","","","0.866","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335551","9.1591","0.0006","21.9836","0.0012","36.153","0.002","90","","90","","90","","7279.4","0.7","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H32 Mn N10 O4 W -","- C38 H32 Mn N10 O4 W -","- C304 H256 Mn8 N80 O32 W8 -","8","1","","Jin Wuk Lee; Kwang Soo Lim; Dae Won Ryu; Eui Kwan Koh; Sung Won Yoon; Byoung Jin Suh; Chang Seop Hong","Cyanide-Bridged WVMnIII Bimetallic Chains Composed of a Blocked W Hexacyanide Precursor: Geometry-Related Magnetic Couplings and Magnetostructural Correlation","Inorganic Chemistry","2013","52","","8677","8684","10.1021/ic400845z","","","0.71073","MoKα","","0.2501","0.1012","","","0.1355","0.1744","","","","","","1.051","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335552","34.516","0.005","9.1596","0.0014","21.727","0.004","90","","90","","90","","6869.1","1.9","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C34 H29 Mn N10 O5.5 W -","- C34 H26 Mn N10 O5.5 W -","- C272 H208 Mn8 N80 O44 W8 -","8","1","","Jin Wuk Lee; Kwang Soo Lim; Dae Won Ryu; Eui Kwan Koh; Sung Won Yoon; Byoung Jin Suh; Chang Seop Hong","Cyanide-Bridged WVMnIII Bimetallic Chains Composed of a Blocked W Hexacyanide Precursor: Geometry-Related Magnetic Couplings and Magnetostructural Correlation","Inorganic Chemistry","2013","52","","8677","8684","10.1021/ic400845z","","","0.71073","MoKα","","0.124","0.0461","","","0.0724","0.0921","","","","","","0.98","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4335553","35.34","0.03","9.224","0.009","21.82","0.02","90","","90","","90","","7113","11","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C35 H32 Mn N10 O6 W -","- C35 H28 Mn N10 O6 W -","- C280 H224 Mn8 N80 O48 W8 -","8","1","","Jin Wuk Lee; Kwang Soo Lim; Dae Won Ryu; Eui Kwan Koh; Sung Won Yoon; Byoung Jin Suh; Chang Seop Hong","Cyanide-Bridged WVMnIII Bimetallic Chains Composed of a Blocked W Hexacyanide Precursor: Geometry-Related Magnetic Couplings and Magnetostructural Correlation","Inorganic Chemistry","2013","52","","8677","8684","10.1021/ic400845z","","","0.71073","MoKα","","0.1319","0.0689","","","0.1461","0.1705","","","","","","1.016","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335554","19.1588","0.0013","11.6924","0.0008","15.8248","0.0009","90","","90","","90","","3545","0.4","180","2","180","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H10 Cd N2 O4 S -","- C16 H10 Cd N2 O4 S -","- C128 H80 Cd8 N16 O32 S8 -","8","2","","Florian Kettner; Christian Worch; Jens Moellmer; Roger Gläser; Reiner Staudt; Harald Krautscheid","Synthesis, Crystal Structure and Catalytic Behavior of Homo- and Heteronuclear Coordination Polymers [M(tdc)(bpy)] (M2+= Fe2+, Co2+, Zn2+, Cd2+; tdc2-= 2,5-thiophenedicarboxylate)","Inorganic Chemistry","2013","52","","8738","8742","10.1021/ic400857s","","x-ray","0.71073","MoKα","","0.151","0.14","","","0.321","0.327","","","","","","1.226","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335555","14.5081","0.0004","20.1247","0.0007","25.1681","0.0006","105.456","0.003","103.923","0.002","105.522","0.003","6427.8","0.4","170","0.1","170","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C54 H121.99 Cl24 Mo12 O14 P6 S4 -","- C54 H82 Cl24 Mo12 O14 P6 S4 -","- C108 H164 Cl48 Mo24 O28 P12 S8 -","2","1","","Tomás F. Beltrán; Rosa Llusar; Maxim Sokolov; Manuel G. Basallote; M. Jesús Fernández-Trujillo; Jose Ángel Pino-Chamorro","Influence of the Ligand Alkyl Chain Length on the Solubility, Aqueous Speciation, and Kinetics of Substitution Reactions of Water-Soluble M3S4 (M = Mo, W) Clusters Bearing Hydroxyalkyl Diphosphines","Inorganic Chemistry","2013","52","","8713","8722","10.1021/ic400897y","","","0.7107","MoKα","","0.1043","0.0681","","","0.1981","0.2375","","","","","","1.058","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335556","22.086","0.002","22.086","0.002","20.661","0.002","90","","90","","120","","8728","1.4","120","","120","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 La3 N6 O28 -","- C54 H69.996 Cl9 Cu8 La3 N6 O28 -","- C162 H209.988 Cl27 Cu24 La9 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0891","0.0667","","0.1381","0.1235","0.1381","","","","","","0.9089","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335557","22.132","0.003","22.132","0.003","20.854","0.003","90","","90","","120","","8846","2","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 N6 O28 Pr3 -","- C54 H69.996 Cl9 Cu8 N6 O28 Pr3 -","- C162 H209.988 Cl27 Cu24 N18 O84 Pr9 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0919","0.0646","","0.1783","0.1545","0.1783","","","","","","0.9451","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335558","22.135","0.003","22.135","0.003","21.038","0.003","90","","90","","120","","8927","2","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 N6 Nd3 O28 -","- C54 H69.996 Cl9 Cu8 N6 Nd3 O28 -","- C162 H209.988 Cl27 Cu24 N18 Nd9 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0882","0.0507","","0.0995","0.0803","0.0995","","","","","","0.8845","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335559","22.186","0.003","22.186","0.003","20.947","0.002","90","","90","","120","","8929.2","1.9","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Ce3 Cl9 Cu8 N6 O28 -","- C54 H69.996 Ce3 Cl9 Cu8 N6 O28 -","- C162 H209.988 Ce9 Cl27 Cu24 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0998","0.0748","","0.1565","0.1373","0.1565","","","","","","0.9474","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335560","22.086","0.002","22.086","0.002","20.661","0.002","90","","90","","120","","8728","1.4","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 Eu3 N6 O28 -","- C54 H69.996 Cl9 Cu8 Eu3 N6 O28 -","- C162 H209.988 Cl27 Cu24 Eu9 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0761","0.0583","","0.1133","0.0998","0.1133","","","","","","0.8421","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335561","22.146","0.001","22.146","0.001","20.699","0.002","90","","90","","120","","8791.7","1","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 Gd3 N6 O28 -","- C54 H69.996 Cl9 Cu8 Gd3 N6 O28 -","- C162 H209.988 Cl27 Cu24 Gd9 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0692","0.0565","","0.1096","0.0994","0.1096","","","","","","0.9039","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335562","22.126","0.002","22.126","0.002","20.559","0.002","90","","90","","120","","8716.4","1.4","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 N6 O28 Tb3 -","- C54 H69.996 Cl9 Cu8 N6 O28 Tb3 -","- C162 H209.988 Cl27 Cu24 N18 O84 Tb9 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0767","0.0576","","0.1241","0.1063","0.1241","","","","","","0.8351","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335563","22.089","0.002","22.089","0.002","20.674","0.003","90","","90","","120","","8735.9","1.7","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 Dy3 N6 O28 -","- C54 H69.996 Cl9 Cu8 Dy3 N6 O28 -","- C162 H209.988 Cl27 Cu24 Dy9 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","1.5418","CuKα","","0.0969","0.0803","","0.2125","0.1866","0.2125","","","","","","0.8977","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335564","22.291","0.002","22.291","0.002","20.55","0.002","90","","90","","120","","8843","1.4","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 Er3 N6 O28 -","- C54 H69.996 Cl9 Cu8 Er3 N6 O28 -","- C162 H209.988 Cl27 Cu24 Er9 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0474","0.0421","","0.0922","0.0862","0.0922","","","","","","0.8887","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335565","22.145","0.002","22.145","0.002","20.554","0.002","90","","90","","120","","8729.3","1.4","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 N6 O28 Yb3 -","- C54 H69.996 Cl9 Cu8 N6 O28 Yb3 -","- C162 H209.988 Cl27 Cu24 N18 O84 Yb9 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0556","0.0422","","0.078","0.0699","0.078","","","","","","0.9002","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335566","22.195","0.001","22.195","0.001","20.484","0.001","90","","90","","120","","8738.9","0.7","100","","100","","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H70 Cl9 Cu8 Lu3 N6 O28 -","- C54 H69.996 Cl9 Cu8 Lu3 N6 O28 -","- C162 H209.988 Cl27 Cu24 Lu9 N18 O84 -","3","0.166667","","Olga Iasco; Ghenadie Novitchi; Erwann Jeanneau; Dominique Luneau","Lanthanide Triangles Sandwiched by Tetranuclear Copper Complexes Afford a Family of Hendecanuclear Heterometallic Complexes [LnIII3CuII8] (Ln = La-Lu): Synthesis and Magnetostructural Studies","Inorganic Chemistry","2013","52","","8723","8731","10.1021/ic4009015","","","0.7107","MoKα","","0.0608","0.0401","","0.0851","0.0708","0.0851","","","","","","0.8646","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335567","9.211","0.0003","5.004","0.0002","8.0851","0.0003","90","","92.737","0.001","90","","372.23","0.02","293","","293","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- Ba Co2 O8 P2 -","- Ba Co2 O8 P2 -","- Ba2 Co4 O16 P4 -","2","0.5","","Rénald David; Houria Kabbour; Alain Pautrat; Olivier Mentré","Puzzling Polymorphism of Layered Ba(CoPO4)2","Inorganic Chemistry","2013","52","","8732","8737","10.1021/ic4009027","","","0.71069","MoKα","","0.045","0.0343","","","0.0361","0.0439","","","","1.99","1.99","2.17","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4335568","5.22264","0.00004","5.22264","0.00004","8.26062","0.0001","90","","90","","120","","195.13","0.003","","","","","","","","","","","","4","P -3","-P 3","147","","","","- Ba Co2 O8 P2 -","- Ba Co2 O8 P2 -","- Ba Co2 O8 P2 -","1","0.166667","","Rénald David; Houria Kabbour; Alain Pautrat; Olivier Mentré","Puzzling Polymorphism of Layered Ba(CoPO4)2","Inorganic Chemistry","2013","52","","8732","8737","10.1021/ic4009027","powder diffraction","","","x-ray","","","","","","","","","8.113","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335569","15.4386","0.0007","17.4169","0.0009","26.1882","0.0012","90","","103.809","0.002","90","","6838.3","0.6","293","2","265","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C75 H62.5 N4.5 O12 P2 Tb -","- C75 H58 N4.5 O12 P2 Tb -","- C300 H232 N18 O48 P8 Tb4 -","4","1","","S. Biju; N. Gopakumar; J.-C. G. Bünzli; R. Scopelliti; H. K. Kim; M. L. P. Reddy","Brilliant Photoluminescence and Triboluminescence from Ternary Complexes of DyIII and TbIII with 3-Phenyl-4-propanoyl-5-isoxazolonate and a Bidentate Phosphine Oxide Coligand","Inorganic Chemistry","2013","52","","8750","8758","10.1021/ic400913f","","","0.71073","MoKα","","0.0552","0.0428","","","0.0933","0.1153","","","","","","1.144","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335570","15.416","0.005","17.262","0.003","25.994","0.007","90","","102.353","0.017","90","","6757","3","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C76 H64 Dy N5 O12 P2 -","- C76 H64 Dy N5 O12 P2 -","- C304 H256 Dy4 N20 O48 P8 -","4","1","","S. Biju; N. Gopakumar; J.-C. G. Bünzli; R. Scopelliti; H. K. Kim; M. L. P. Reddy","Brilliant Photoluminescence and Triboluminescence from Ternary Complexes of DyIII and TbIII with 3-Phenyl-4-propanoyl-5-isoxazolonate and a Bidentate Phosphine Oxide Coligand","Inorganic Chemistry","2013","52","","8750","8758","10.1021/ic400913f","","","0.71073","MoKα","","0.0979","0.0738","","","0.1715","0.1902","","","","","","1.067","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335571","18.411","0.003","12.568","0.002","17.772","0.004","90","","106.921","0.013","90","","3934.2","1.3","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Dy N3 O11 -","- C40 H42 Dy N3 O11 -","- C160 H168 Dy4 N12 O44 -","4","1","","S. Biju; N. Gopakumar; J.-C. G. Bünzli; R. Scopelliti; H. K. Kim; M. L. P. Reddy","Brilliant Photoluminescence and Triboluminescence from Ternary Complexes of DyIII and TbIII with 3-Phenyl-4-propanoyl-5-isoxazolonate and a Bidentate Phosphine Oxide Coligand","Inorganic Chemistry","2013","52","","8750","8758","10.1021/ic400913f","","","0.71073","MoKα","","0.0738","0.0569","","","0.1618","0.2126","","","","","","1.153","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335572","15.6062","0.0005","24.9652","0.0009","49.49","0.002","90.601","0.003","92.688","0.002","90.439","0.002","19259","1.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- H248 Na32.5 Ni14 O365 P12 Rb1.5 W60 -","- Na9.9 Ni14 O297.5 P12 Rb0.25 W60 -","- Na19.8 Ni28 O595 P24 Rb0.5 W120 -","2","1","","Masooma Ibrahim; Yixian Xiang; Bassem S. Bassil; Yanhua Lan; Annie K. Powell; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Synthesis, Magnetism, and Electrochemistry of the Ni14- and Ni5-Containing Heteropolytungstates [Ni14(OH)6(H2O)10(HPO4)4(P2W15O56)4]34- and [Ni5(OH)4(H2O)4(β-GeW9O34)(β-GeW8O30(OH))]13-","Inorganic Chemistry","2013","52","","8399","8408","10.1021/ic400943j","","","0.71073","MoKα","","0.1807","0.1067","","","0.2262","0.2772","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335573","18.4924","0.0004","21.8208","0.0004","25.2971","0.0006","81.747","0.001","73.893","0.001","85.101","0.001","9694.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- Ge4 H154 K26 Ni10 O210 W34 -","- Ge4 K18.2 Ni10 O203 W34 -","- Ge8 K36.4 Ni20 O406 W68 -","2","1","","Masooma Ibrahim; Yixian Xiang; Bassem S. Bassil; Yanhua Lan; Annie K. Powell; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Synthesis, Magnetism, and Electrochemistry of the Ni14- and Ni5-Containing Heteropolytungstates [Ni14(OH)6(H2O)10(HPO4)4(P2W15O56)4]34- and [Ni5(OH)4(H2O)4(β-GeW9O34)(β-GeW8O30(OH))]13-","Inorganic Chemistry","2013","52","","8399","8408","10.1021/ic400943j","","","0.71073","MoKα","","0.0879","0.0529","","","0.1331","0.1566","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335574","18.084","0.002","17.808","0.002","11.8374","0.0014","90","","90","","90","","3812.1","0.8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C26 H52 Br O2 P3 Pd3 -","- C29 H52 Br O2 P3 Pd3 -","- C116 H208 Br4 O8 P12 Pd12 -","4","0.5","","Veronica Bonuccelli; Tiziana Funaioli; Piero Leoni; Fabio Marchetti; Lorella Marchetti","Synthesis and Spectroscopic and Spectroelectrochemical Characterization of a New Family of 44e-Tris-Phosphido-Bridged Palladium Triangles","Inorganic Chemistry","2013","52","","8759","8769","10.1021/ic4009448","","","0.71073","MoKα","","0.1273","0.056","","","0.0966","0.1191","","","","","","0.986","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335575","9.7168","0.0006","19.8254","0.0012","28.9139","0.0017","90","","92.257","0.002","90","","5565.6","0.6","293","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C40 H81 F3 N3 O3 P3 Pd3 S -","- C40 H81 F3 N3 O3 P3 Pd3 S -","- C160 H324 F12 N12 O12 P12 Pd12 S4 -","4","1","","Veronica Bonuccelli; Tiziana Funaioli; Piero Leoni; Fabio Marchetti; Lorella Marchetti","Synthesis and Spectroscopic and Spectroelectrochemical Characterization of a New Family of 44e-Tris-Phosphido-Bridged Palladium Triangles","Inorganic Chemistry","2013","52","","8759","8769","10.1021/ic4009448","","","0.71073","MoKα","","0.0788","0.0516","","","0.1286","0.1465","","","","","","1.026","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335576","6.9549","0.0015","7.57","0.001","10.6511","0.0014","87.071","0.016","81.018","0.01","73.831","0.011","531.96","0.16","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C12 Mg N2 O16 P4 -","- C12 Mg N2 O16 P4 -","- C12 Mg N2 O16 P4 -","1","0.5","","Rosario M. P. Colodrero; Giasemi K. Angeli; Montse Bazaga-Garcia; Pascual Olivera-Pastor; Didier Villemin; Enrique R. Losilla; Estefania Q. Martos; Gary B. Hix; Miguel A. G. Aranda; Konstantinos D. Demadis; Aurelio Cabeza","Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids","Inorganic Chemistry","2013","52","","8770","8783","10.1021/ic400951s","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.09676","","7.27","","","","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335577","6.9303","0.0012","7.5793","0.0008","10.6441","0.0015","86.949","0.011","81.25","0.013","73.514","0.007","529.85","0.13","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C12 Co N2 O16 P4 -","- C12 Co N2 O16 P4 -","- C12 Co N2 O16 P4 -","1","0.5","","Rosario M. P. Colodrero; Giasemi K. Angeli; Montse Bazaga-Garcia; Pascual Olivera-Pastor; Didier Villemin; Enrique R. Losilla; Estefania Q. Martos; Gary B. Hix; Miguel A. G. Aranda; Konstantinos D. Demadis; Aurelio Cabeza","Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids","Inorganic Chemistry","2013","52","","8770","8783","10.1021/ic400951s","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.04621","","2.53","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335578","6.9591","0.0005","7.5805","0.0004","10.6229","0.0007","86.816","0.007","81.464","0.006","73.592","0.005","531.56","0.06","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C12 N2 O16 P4 Zn -","- C12 N2 O16 P4 Zn -","- C12 N2 O16 P4 Zn -","1","0.5","","Rosario M. P. Colodrero; Giasemi K. Angeli; Montse Bazaga-Garcia; Pascual Olivera-Pastor; Didier Villemin; Enrique R. Losilla; Estefania Q. Martos; Gary B. Hix; Miguel A. G. Aranda; Konstantinos D. Demadis; Aurelio Cabeza","Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids","Inorganic Chemistry","2013","52","","8770","8783","10.1021/ic400951s","powder diffraction","x-ray","0.2998","","","","","","","","","0.07586","","5.16","","","","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335579","22.2825","0.0007","10.031","0.0004","8.55695","0.0003","90","","90","","90","","1912.61","0.12","293","","","","","","","","","","","5","P m n b","-P 2bc 2a","62","","","","- C12 Mg N2 O13 P4 -","- C12 Mg N2 O13 P4 -","- C48 Mg4 N8 O52 P16 -","4","0.5","","Rosario M. P. Colodrero; Giasemi K. Angeli; Montse Bazaga-Garcia; Pascual Olivera-Pastor; Didier Villemin; Enrique R. Losilla; Estefania Q. Martos; Gary B. Hix; Miguel A. G. Aranda; Konstantinos D. Demadis; Aurelio Cabeza","Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids","Inorganic Chemistry","2013","52","","8770","8783","10.1021/ic400951s","powder diffraction","x-ray","0.2998","synchrotron","","","","","","","","0.08241","","1.98","","","","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335580","22.2105","0.0011","10.8441","0.0004","8.6118","0.00028","90","","90","","90","","2074.18","0.14","293","","293","","","","","","","","","5","P m n b","-P 2bc 2a","62","","","","- C12 Ca N2 O13 P4 -","- C12 Ca N2 O13 P4 -","- C48 Ca4 N8 O52 P16 -","4","0.5","","Rosario M. P. Colodrero; Giasemi K. Angeli; Montse Bazaga-Garcia; Pascual Olivera-Pastor; Didier Villemin; Enrique R. Losilla; Estefania Q. Martos; Gary B. Hix; Miguel A. G. Aranda; Konstantinos D. Demadis; Aurelio Cabeza","Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids","Inorganic Chemistry","2013","52","","8770","8783","10.1021/ic400951s","powder diffraction","x-ray","0.2998","synchrotron","","","","","","","","0.07106","","2.07","","","","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335581","22.3007","0.0004","10.0163","0.0004","8.60981","0.00029","90","","90","","90","","1923.18","0.11","293","","293","","","","","","","","","5","P 21 n b","P -2bc 2a","33","","","","- C12 Co N2 O13 P4 -","- C12 Co N2 O13 P4 -","- C48 Co4 N8 O52 P16 -","4","1","","Rosario M. P. Colodrero; Giasemi K. Angeli; Montse Bazaga-Garcia; Pascual Olivera-Pastor; Didier Villemin; Enrique R. Losilla; Estefania Q. Martos; Gary B. Hix; Miguel A. G. Aranda; Konstantinos D. Demadis; Aurelio Cabeza","Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids","Inorganic Chemistry","2013","52","","8770","8783","10.1021/ic400951s","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.09821","","2.19","","","","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335582","22.3117","0.0015","10.0175","0.0005","8.6021","0.0004","90","","90","","90","","1922.63","0.18","293","","293","","","","","","","","","5","P m n b","-P 2bc 2a","62","","","","- C12 N2 O13 P4 Zn -","- C12 N2 O13 P4 Zn -","- C48 N8 O52 P16 Zn4 -","4","0.5","","Rosario M. P. Colodrero; Giasemi K. Angeli; Montse Bazaga-Garcia; Pascual Olivera-Pastor; Didier Villemin; Enrique R. Losilla; Estefania Q. Martos; Gary B. Hix; Miguel A. G. Aranda; Konstantinos D. Demadis; Aurelio Cabeza","Structural Variability in Multifunctional Metal Xylenediaminetetraphosphonate Hybrids","Inorganic Chemistry","2013","52","","8770","8783","10.1021/ic400951s","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.0506","","1.97","","","","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335583","10.7334","0.0011","11.8312","0.0011","5.5037","0.0006","90","","90","","90","","698.91","0.12","296","2","296","2","","","","","","","","6","P m m n :2","-P 2ab 2a","59","","Pentaoxo-difluorido[1,3-bis(1,2,4-triazol-4-yl)propane] dimolybdenum(VI)","","- C7 H10 F2 Mo2 N6 O5 -","- C7 H10 F2 Mo2 N6 O5 -","- C14 H20 F4 Mo4 N12 O10 -","2","0.25","","Olena V. Sharga; Andrey B. Lysenko; Marcel Handke; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Karl W. Krämer; Shi-Xia Liu; Silvio Decurtins; Adam Bridgeman; Konstantin V. Domasevitch","Unprecedented Trapping of Difluorooctamolybdate Anions within an α-Polonium Type Coordination Network","Inorganic Chemistry","2013","52","","8784","8794","10.1021/ic400954x","","","0.71073","MoKα","","0.039","0.0297","","","0.0548","0.0576","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4335584","8.8925","0.0006","9.3345","0.0006","10.8401","0.0008","65.197","0.005","86.104","0.005","73.474","0.005","781.7","0.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","bis[1,3-bis(1,2,4-triazol-4-yl)propane]-bis(molybdato) -difluorido-tricobalt(II) Heptahydrate","","- C14 H34 Co3 F2 Mo2 N12 O15 -","- C14 H28 Co3 F2 Mo2 N12 O15 -","- C14 H28 Co3 F2 Mo2 N12 O15 -","1","0.5","","Olena V. Sharga; Andrey B. Lysenko; Marcel Handke; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Karl W. Krämer; Shi-Xia Liu; Silvio Decurtins; Adam Bridgeman; Konstantin V. Domasevitch","Unprecedented Trapping of Difluorooctamolybdate Anions within an α-Polonium Type Coordination Network","Inorganic Chemistry","2013","52","","8784","8794","10.1021/ic400954x","","","0.71073","MoKα","","0.1037","0.0552","","","0.0967","0.1103","","","","","","0.992","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4335585","12.6171","0.0002","13.5719","0.0003","14.8734","0.0003","96.904","0.001","94.882","0.001","94.145","0.001","2510.47","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","tris[1,3-bis(1,2,4-triazol-4-yl)propane]-diaqua-difluorooctamolybdato -tricobalt(II) Trihydrate","","- C21 H40 Co3 F2 Mo8 N18 O31 -","- C21 H36 Co3 F2 Mo8 N18 O31 -","- C42 H72 Co6 F4 Mo16 N36 O62 -","2","1","","Olena V. Sharga; Andrey B. Lysenko; Marcel Handke; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Karl W. Krämer; Shi-Xia Liu; Silvio Decurtins; Adam Bridgeman; Konstantin V. Domasevitch","Unprecedented Trapping of Difluorooctamolybdate Anions within an α-Polonium Type Coordination Network","Inorganic Chemistry","2013","52","","8784","8794","10.1021/ic400954x","","","0.71073","MoKα","","0.0379","0.0304","","","0.0668","0.0693","","","","","","1.075","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4335586","10.3814","0.0009","21.4752","0.0018","8.0597","0.0007","90","","100.074","0.002","90","","1769.1","0.3","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O8 P2 U Zn -","- C12 H12 N2 O8 P2 U Zn -","- C48 H48 N8 O32 P8 U4 Zn4 -","4","1","","Tao Tian; Weiting Yang; Hao Wang; Song Dang; Zhong-Ming Sun","Flexible Diphosphonic Acids for the Isolation of Uranyl Hybrids with Heterometallic UVI=O-ZnII Cation-Cation Interactions","Inorganic Chemistry","2013","52","","8288","8290","10.1021/ic4009834","","","0.71073","MoKα","","0.0504","0.0369","","","0.0741","0.0784","","","","","","1.049","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335587","17.092","0.003","17.526","0.003","25.402","0.005","90","","90","","90","","7609","2","273","2","273","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H32 N4 O18 P4 U2 Zn -","- C30 H30 N4 O18 P4 U2 Zn -","- C240 H240 N32 O144 P32 U16 Zn8 -","8","1","","Tao Tian; Weiting Yang; Hao Wang; Song Dang; Zhong-Ming Sun","Flexible Diphosphonic Acids for the Isolation of Uranyl Hybrids with Heterometallic UVI=O-ZnII Cation-Cation Interactions","Inorganic Chemistry","2013","52","","8288","8290","10.1021/ic4009834","","","0.71073","MoKα","","0.1311","0.0544","","","0.1061","0.1482","","","","","","0.981","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335588","9.605","0.003","21.278","0.007","16.747","0.005","90","","91.464","0.004","90","","3421.6","1.9","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N2 O20 P4 U3 Zn -","- C21.18 H16 N2 O20 P4 U3 Zn -","- C84.72 H64 N8 O80 P16 U12 Zn4 -","4","1","","Tao Tian; Weiting Yang; Hao Wang; Song Dang; Zhong-Ming Sun","Flexible Diphosphonic Acids for the Isolation of Uranyl Hybrids with Heterometallic UVI=O-ZnII Cation-Cation Interactions","Inorganic Chemistry","2013","52","","8288","8290","10.1021/ic4009834","","","0.71073","MoKα","","0.0508","0.0331","","","0.0752","0.084","","","","","","1.007","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335589","12.6726","0.0015","12.6726","0.0015","6.1281","0.0014","90","","90","","90","","984.1","0.3","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ga4 Ge Pb4 S12 -","- Ga4 Ge Pb4 S12 -","- Ga8 Ge2 Pb8 S24 -","2","0.25","","Yu-Kun Chen; Mei-Chun Chen; Liu-Jiang Zhou; Ling Chen; Li-Ming Wu","Syntheses, Structures, and Nonlinear Optical Properties of Quaternary Chalcogenides: Pb4Ga4GeQ12 (Q = S, Se)","Inorganic Chemistry","2013","52","","8334","8341","10.1021/ic400995z","","","0.71073","MoKα","","0.0631","0.056","","","0.0881","0.0914","","","","","","1.037","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335590","13.064","0.007","13.064","0.007","6.31","0.005","90","","90","","90","","1076.9","1.2","293","2","293","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ga4 Ge Pb4 Se12 -","- Ga4 Ge Pb4 Se12 -","- Ga8 Ge2 Pb8 Se24 -","2","0.25","","Yu-Kun Chen; Mei-Chun Chen; Liu-Jiang Zhou; Ling Chen; Li-Ming Wu","Syntheses, Structures, and Nonlinear Optical Properties of Quaternary Chalcogenides: Pb4Ga4GeQ12 (Q = S, Se)","Inorganic Chemistry","2013","52","","8334","8341","10.1021/ic400995z","","","0.71073","MoKα","","0.0602","0.0534","","","0.1342","0.1385","","","","","","1.069","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335591","15.6693","0.0018","18.5166","0.0018","16.0579","0.0017","90","","98.912","0.007","90","","4602.8","0.9","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H41 F12 N7 O P2 Ru -","- C45 H41 F12 N7 O P2 Ru -","- C180 H164 F48 N28 O4 P8 Ru4 -","4","0.5","","Yosra M. Badiei; Dmitry E. Polyansky; James T. Muckerman; David J. Szalda; Rubabe Haberdar; Ruifa Zong; Randolph P. Thummel; Etsuko Fujita","Water Oxidation with Mononuclear Ruthenium(II) Polypyridine Complexes Involving a Direct RuIV=O Pathway in Neutral and Alkaline Media","Inorganic Chemistry","2013","52","","8845","8850","10.1021/ic401023w","","","0.71073","MoKα","","0.1975","0.0708","","","0.1503","0.1796","","","","","","0.87","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335592","13.838","0.002","18.902","0.003","19.269","0.003","90","","110.417","0.003","90","","4723.5","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Cl10 Mo N2 O2 P2 -","- C38 H50 Cl10 Mo N2 O2 P2 -","- C152 H200 Cl40 Mo4 N8 O8 P8 -","4","1","","Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins","Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework","Inorganic Chemistry","2013","52","","8851","8864","10.1021/ic401052a","","","0.71073","MoKα","","0.0566","0.0431","","","0.0832","0.0879","","","","","","1.141","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335593","9.5206","0.0007","16.9847","0.0014","23.9758","0.0019","90","","90","","90","","3877","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H58 Cl2 N2 Ni O2 P2 -","- C38 H58 Cl2 N2 Ni O2 P2 -","- C152 H232 Cl8 N8 Ni4 O8 P8 -","4","1","","Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins","Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework","Inorganic Chemistry","2013","52","","8851","8864","10.1021/ic401052a","","","0.71073","MoKα","","0.0591","0.0453","","","0.1081","0.118","","","","","","1.073","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335594","12.4334","0.0001","15.8501","0.0002","13.865","0.0002","90","","98.498","0.001","90","","2702.39","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 N2 P2 -","- C30 H42 N2 P2 -","- C120 H168 N8 P8 -","4","1","","Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins","Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework","Inorganic Chemistry","2013","52","","8851","8864","10.1021/ic401052a","","","1.54178","CuKα","","0.0448","0.0372","","","0.099","0.1052","","","","","","1.032","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335595","18.026","0.002","9.1399","0.0011","20.939","0.003","90","","102.766","0.003","90","","3364.5","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 N2 P2 -","- C40 H46 N2 P2 -","- C160 H184 N8 P8 -","4","1","","Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins","Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework","Inorganic Chemistry","2013","52","","8851","8864","10.1021/ic401052a","","","0.71073","MoKα","","0.0627","0.0446","","","0.11","0.1196","","","","","","1.078","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335596","9.598","0.0001","20.1851","0.0003","6.5895","0.0001","90","","90","","90","","1276.63","0.03","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C12 H20 O2 P2 -","- C12 H20 O2 P2 -","- C48 H80 O8 P8 -","4","0.5","","Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins","Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework","Inorganic Chemistry","2013","52","","8851","8864","10.1021/ic401052a","","","1.54178","CuKα","","0.0302","0.0291","","","0.0815","0.0823","","","","","","1.077","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335597","7.6898","0.0006","8.1011","0.0006","10.7689","0.0008","93.956","0.002","98.939","0.002","101.833","0.002","645.09","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 O3 P2 -","- C12 H20 O2.832 P2 -","- C24 H40 O5.664 P4 -","2","1","","Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins","Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework","Inorganic Chemistry","2013","52","","8851","8864","10.1021/ic401052a","","","0.71073","MoKα","","0.0599","0.0531","","","0.1453","0.1502","","","","","","1.171","","","","has coordinates,has disorder","179458","2020-10-21","18:00:00",""
"4335598","10.8769","0.0002","6.9212","0.0001","17.223","0.0003","90","","104.962","0.001","90","","1252.61","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O P2 -","- C12 H20 O P2 -","- C48 H80 O4 P8 -","4","1","","Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins","Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework","Inorganic Chemistry","2013","52","","8851","8864","10.1021/ic401052a","","","1.54178","CuKα","","0.0293","0.0293","","","0.0757","0.0757","","","","","","1.086","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335599","6.7523","0.0006","18.5199","0.0017","11.2782","0.0011","90","","90.374","0.001","90","","1410.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 P2 S2 -","- C12 H20 P2 S2 -","- C48 H80 P8 S8 -","4","1","","Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins","Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework","Inorganic Chemistry","2013","52","","8851","8864","10.1021/ic401052a","","","0.71073","MoKα","","0.0272","0.0227","","","0.0589","0.0619","","","","","","1.057","","","","has coordinates","179458","2020-10-21","18:00:00",""
"4335600","11.8837","0.0002","11.8837","0.0002","11.8837","0.0002","90","","90","","90","","1678.24","0.05","293","2","293","2","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","","","- Cl6 Hg6 P4 Pb -","- Cl6 Hg6 P4 Pb -","- Cl24 Hg24 P16 Pb4 -","4","0.333333","","Xiao-Ming Jiang; Guan-E Wang; Zhi-Fa Liu; Ming-Jian Zhang; Guo-Cong Guo","Large Mid-IR Second-Order Nonlinear-Optical Effects Designed by the Supramolecular Assembly of Different Bond Types without IR Absorption","Inorganic Chemistry","2013","52","","8865","8871","10.1021/ic401056t","","","0.71073","MoKα","","0.0286","0.0286","","","0.08","0.08","","","","","","1.087","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4335601","12.9774","0.0007","12.9774","0.0007","11.749","0.0011","90","","90","","120","","1713.6","0.2","293","2","293","2","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- Cl24 Hg23 P12 Zn6 -","- Cl24 Hg23 P12 Zn6 -","- Cl24 Hg23 P12 Zn6 -","1","0.0833333","","Xiao-Ming Jiang; Guan-E Wang; Zhi-Fa Liu; Ming-Jian Zhang; Guo-Cong Guo","Large Mid-IR Second-Order Nonlinear-Optical Effects Designed by the Supramolecular Assembly of Different Bond Types without IR Absorption","Inorganic Chemistry","2013","52","","8865","8871","10.1021/ic401056t","","","0.71073","MoKα","","0.0665","0.0473","","","0.1129","0.1193","","","","","","0.999","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4335602","7.49","0.0001","10.0006","0.0001","21.5284","0.0003","90","","90","","90","","1612.57","0.04","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Cu N5 O4 S -","- C13 H19 Cu N5 O4 S -","- C52 H76 Cu4 N20 O16 S4 -","4","1","","Felix Bacher; Éva A. Enyedy; Nóra V. Nagy; Antal Rockenbauer; Gabriella M. Bognár; Robert Trondl; Maria S. Novak; Erik Klapproth; Tamás Kiss; Vladimir B. Arion","Copper(II) Complexes with Highly Water-Soluble l- and d-Proline-Thiosemicarbazone Conjugates as Potential Inhibitors of Topoisomerase IIα","Inorganic Chemistry","2013","52","","8895","8908","10.1021/ic401079w","","","0.71073","MoKα","","0.0334","0.0271","","","0.0657","0.0687","","","","","","1.032","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335603","9.672","0.0009","10.2084","0.0009","11.7514","0.001","101.746","0.008","90.285","0.006","91.305","0.006","1135.64","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 Fe2 N28 Na2 O10 -","- C32 H40 Fe2 N28 Na2 O10 -","- C32 H40 Fe2 N28 Na2 O10 -","1","0.5","","Craig T. Gutman; Ilia A. Guzei; Thomas C. Brunold","Structural, Spectroscopic, and Computational Characterization of the Azide Adduct of FeIII(2,6-diacetylpyridinebis(semioxamazide)), a Functional Analogue of Iron Superoxide Dismutase","Inorganic Chemistry","2013","52","","8909","8918","10.1021/ic401098x","","","1.54178","CuKα","","0.0256","0.0251","","","0.0679","0.0683","","","","","","1.011","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335604","18.513","0.006","13.598","0.006","14.294","0.005","90","","106.443","0.002","90","","3451","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N O5 Re -","- C18 H16 N O5 Re -","- C144 H128 N8 O40 Re8 -","8","1","","Alice Brink; Hendrik G. Visser; Andreas Roodt","Activation of Rhenium(I) Toward Substitution in fac-[Re(N,O'-Bid)(CO)3(HOCH3)] by Schiff-Base Bidentate Ligands (N,O'-Bid)","Inorganic Chemistry","2013","52","","8950","8961","10.1021/ic401115j","","","0.71069","MoKα","","","0.0356","","","","0.0671","","","","","","1.073","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335605","19.37","0.004","14.027","0.003","14.002","0.003","90","","112.41","0.03","90","","3517.1","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N O5 Re -","- C18 H16 N O5 Re -","- C144 H128 N8 O40 Re8 -","8","1","","Alice Brink; Hendrik G. Visser; Andreas Roodt","Activation of Rhenium(I) Toward Substitution in fac-[Re(N,O'-Bid)(CO)3(HOCH3)] by Schiff-Base Bidentate Ligands (N,O'-Bid)","Inorganic Chemistry","2013","52","","8950","8961","10.1021/ic401115j","","","0.71073","MoKα","","","0.1073","","","","0.2575","","","","","","1.21","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335606","18.4769","0.0007","13.483","0.0007","13.9281","0.0007","90","","108.988","0.003","90","","3281","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 N O5 Re -","- C17 H14 N O5 Re -","- C136 H112 N8 O40 Re8 -","8","1","","Alice Brink; Hendrik G. Visser; Andreas Roodt","Activation of Rhenium(I) Toward Substitution in fac-[Re(N,O'-Bid)(CO)3(HOCH3)] by Schiff-Base Bidentate Ligands (N,O'-Bid)","Inorganic Chemistry","2013","52","","8950","8961","10.1021/ic401115j","","","0.71073","MoKα","","","0.0427","","","","0.1019","","","","","","1.084","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335607","10.291","0.0002","9.828","0.0002","18.9306","0.0003","90","","97.023","0.002","90","","1900.27","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N2 O4 Re -","- C21 H15 N2 O4 Re -","- C84 H60 N8 O16 Re4 -","4","1","","Alice Brink; Hendrik G. Visser; Andreas Roodt","Activation of Rhenium(I) Toward Substitution in fac-[Re(N,O'-Bid)(CO)3(HOCH3)] by Schiff-Base Bidentate Ligands (N,O'-Bid)","Inorganic Chemistry","2013","52","","8950","8961","10.1021/ic401115j","","","0.71073","MoKα","","","0.0352","","","","0.0924","","","","","","1.022","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335608","9.2059","0.0005","11.5796","0.0006","13.0963","0.0007","90","","94.534","0.005","90","","1391.71","0.13","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- O12 Si5 Tl4 -","- O12 Si5 Tl4 -","- O48 Si20 Tl16 -","4","0.5","","Volker Kahlenberg; Lukas Perfler; Jürgen Konzett; Peter Blaha","Structural, Spectroscopic, and Computational Studies on Tl4Si5O12: A Microporous Thallium Silicate","Inorganic Chemistry","2013","52","","8941","8949","10.1021/ic401118s","","","0.71073","MoKα","","0.0344","0.0287","","","0.0638","0.0657","","","","","","1.093","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335609","12.267","0.002","12.899","0.003","16.729","0.003","69.88","0.03","73.43","0.03","71.44","0.03","2309.9","1","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C46 H50 Dy F9 N2 O6 -","- C46 H50 Dy F9 N2 O6 -","- C92 H100 Dy2 F18 N4 O12 -","2","2","","Cai-Ming Liu; De-Qing Zhang; Dao-Ben Zhu","Field-Induced Single-Ion Magnets Based on Enantiopure Chiral β-Diketonate Ligands","Inorganic Chemistry","2013","52","","8933","8940","10.1021/ic4011218","","","0.71073","MoKα","","0.0584","0.0552","","","0.1159","0.1195","","","","","","1.064","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335610","10.903","0.002","15.216","0.003","29.672","0.006","90","","90","","90","","4922.6","1.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H54 Dy F9 N2 O8 -","- C48 H54 Dy F9 N2 O8 -","- C192 H216 Dy4 F36 N8 O32 -","4","1","","Cai-Ming Liu; De-Qing Zhang; Dao-Ben Zhu","Field-Induced Single-Ion Magnets Based on Enantiopure Chiral β-Diketonate Ligands","Inorganic Chemistry","2013","52","","8933","8940","10.1021/ic4011218","","","0.71073","MoKα","","0.0671","0.0642","","","0.1584","0.161","","","","","","1.078","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335611","11.081","0.002","14.459","0.003","29.774","0.006","90","","90","","90","","4770.4","1.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H50 Dy F9 N2 O6 -","- C48 H50 Dy F9 N2 O6 -","- C192 H200 Dy4 F36 N8 O24 -","4","1","","Cai-Ming Liu; De-Qing Zhang; Dao-Ben Zhu","Field-Induced Single-Ion Magnets Based on Enantiopure Chiral β-Diketonate Ligands","Inorganic Chemistry","2013","52","","8933","8940","10.1021/ic4011218","","","0.71073","MoKα","","0.0695","0.0595","","","0.1352","0.1451","","","","","","1.133","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335612","12.697","0.003","14.305","0.003","14.914","0.003","59.712","0.009","65.777","0.009","79.91","0.012","2131.4","0.8","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H39 B Cl2 Cu F4 N5 -","- C41.176 H38.352 B Cl2.352 Cu F4 N5 -","- C82.352 H76.704 B2 Cl4.704 Cu2 F8 N10 -","2","1","","Michihiro Nishikawa; Yusuke Takara; Yohei Hattori; Kuniharu Nomoto; Tetsuro Kusamoto; Shoko Kume; Hiroshi Nishihara","Structural Modification on Copper(I)-pyridylpyrimidine Complexes for Modulation of Rotational Dynamics, Redox Properties, and Phototriggered Isomerization","Inorganic Chemistry","2013","52","","8962","8970","10.1021/ic4011295","","","0.7107","MoKα","","","0.1001","","","","0.3197","","","","","","1.189","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335613","7.6458","0.0002","4.5158","0.0001","8.0403","0.0003","90","","90","","90","","277.607","0.014","295","2","295.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- As Li Sr -","- As Li Sr -","- As4 Li4 Sr4 -","4","0.5","","Xian-Juan Feng; Yurii Prots; Marcus Peter Schmidt; Stefan Hoffmann; Igor Veremchuk; Walter Schnelle; Ulrich Burkhardt; Jing-Tai Zhao; Yuri Grin","Synthesis, Structure, and Properties of Two Zintl Phases around the Composition SrLiAs","Inorganic Chemistry","2013","52","","8971","8978","10.1021/ic401166v","","","0.71073","MoKα","","","0.028","","","0.028","","","","","","","1.36","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335614","4.49277","0.00009","4.49277","0.00009","8.097","0.0003","90","","90","","120","","141.541","0.007","295","2","295.15","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- As0.98 Li0.95 Sr -","- As0.982 Li0.95 Sr -","- As1.964 Li1.9 Sr2 -","2","0.0833333","","Xian-Juan Feng; Yurii Prots; Marcus Peter Schmidt; Stefan Hoffmann; Igor Veremchuk; Walter Schnelle; Ulrich Burkhardt; Jing-Tai Zhao; Yuri Grin","Synthesis, Structure, and Properties of Two Zintl Phases around the Composition SrLiAs","Inorganic Chemistry","2013","52","","8971","8978","10.1021/ic401166v","","","0.71073","MoKα","","","0.026","","","0.026","","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335615","11.4271","0.0016","11.4271","0.0016","36.913","0.007","90","","90","","120","","4174.3","1.1","143.15","","143.15","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","magnesium octastrontium octadeca-borate","","- B18 Mg O36 Sr8 -","- B18 Mg O36 Sr8 -","- B108 Mg6 O216 Sr48 -","6","0.166667","","Wenjiao Yao; Xingxing Jiang; Hongwei Huang; Tao Xu; Xiaoshan Wang; Zheshuai Lin; Chuangtian Chen","Sr8MgB18O36: a New Alkaline-Earth Borate with a Novel Zero-Dimensional (B18O36)18- Anion Ring","Inorganic Chemistry","2013","52","","8291","8293","10.1021/ic401167z","","","0.71073","MoKα","","0.0363","0.0331","","","0.0618","0.0627","","","","","","1.293","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335616","10.3481","0.0005","7.8908","0.0004","11.2123","0.0005","90","","90","","90","","915.54","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B3 N O10 Pb3 -","- B3 N O10 Pb3 -","- B12 N4 O40 Pb12 -","4","0.5","","Jun-Ling Song; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","Pb2B3O5.5(OH)2 and [Pb3(B3O7)](NO3): Facile Syntheses of New Lead(II) Borates by Simply Changing the pH Values of the Reaction Systems","Inorganic Chemistry","2013","52","","8979","8986","10.1021/ic401175r","","","0.71073","MoKα","","0.0295","0.0275","","","0.0663","0.0678","","","","","","1.132","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335617","11.5824","0.0007","11.7664","0.0007","4.5657","0.0002","90","","90","","90","","622.23","0.06","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- B3 H2 O7.5 Pb2 -","- B3 H2 O7.5 Pb2 -","- B12 H8 O30 Pb8 -","4","1","","Jun-Ling Song; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","Pb2B3O5.5(OH)2 and [Pb3(B3O7)](NO3): Facile Syntheses of New Lead(II) Borates by Simply Changing the pH Values of the Reaction Systems","Inorganic Chemistry","2013","52","","8979","8986","10.1021/ic401175r","","","0.71073","MoKα","","0.0242","0.0217","","","0.0385","0.0394","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335618","12.473","0.002","14.023","0.002","16.024","0.002","93.372","0.003","105.949","0.003","91.991","0.003","2686.4","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H44 Mo6 N5 O34 P -","- C21 H16 Mo6 N5 O34 P -","- C42 H32 Mo12 N10 O68 P2 -","2","1","","Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu","Carboxylate-Functionalized Phosphomolybdates: Ligand-Directed Conformations","Inorganic Chemistry","2013","52","","8987","8992","10.1021/ic401176j","","","0.71073","MoKα","","0.0878","0.0626","","","0.1799","0.1958","","","","","","1.018","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335619","11.8644","0.0008","13.909","0.0009","22.4975","0.0015","96.106","0.001","98.696","0.001","100.23","0.001","3577.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H62 Mo12 N8 O67 P2 -","- C6 H2 Mo12 N8 O67 P2 -","- C12 H4 Mo24 N16 O134 P4 -","2","1","","Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu","Carboxylate-Functionalized Phosphomolybdates: Ligand-Directed Conformations","Inorganic Chemistry","2013","52","","8987","8992","10.1021/ic401176j","","","0.71073","MoKα","","0.0499","0.0369","","","0.1075","0.1141","","","","","","1.045","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335620","16.5531","0.0019","30.271","0.003","30.99","0.004","90","","94.132","0.003","90","","15488","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H130 Mo24 N20 O125 P4 -","- C18 H12 Mo24 N20 O125 P4 -","- C72 H48 Mo96 N80 O500 P16 -","4","1","","Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu","Carboxylate-Functionalized Phosphomolybdates: Ligand-Directed Conformations","Inorganic Chemistry","2013","52","","8987","8992","10.1021/ic401176j","","","0.71073","MoKα","","0.1635","0.1116","","","0.2662","0.2832","","","","","","1.07","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335621","14.36","0.002","15.222","0.003","24.149","0.005","71.831","0.006","77.438","0.007","69.986","0.009","4676.2","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H59 Cs2 Mo12 N10 O62 P3 -","- C18 H9 Cs2 Mo12 N10 O62 P3 -","- C36 H18 Cs4 Mo24 N20 O124 P6 -","2","1","","Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu","Carboxylate-Functionalized Phosphomolybdates: Ligand-Directed Conformations","Inorganic Chemistry","2013","52","","8987","8992","10.1021/ic401176j","","","0.71073","MoKα","","0.0706","0.0542","","","0.1676","0.1802","","","","","","1.074","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335622","11.4178","0.0002","28.7416","0.0007","30.8356","0.0007","90","","99.052","0.001","90","","9993.2","0.4","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C113 H106 Cl Fe2 O P6 Rh -","- C113 H106 Cl Fe2 O P6 Rh -","- C452 H424 Cl4 Fe8 O4 P24 Rh4 -","4","1","","Ayham Tohmé; Guillaume Grelaud; Gilles Argouarch; Thierry Roisnel; Arnaud Bondon; Frédéric Paul","Triarylphosphine Ligands with Pendant Electron-Rich ""[Fe(κ2-dppe)(η5-C5Me5)(C\τbC)]-"" Substituents","Inorganic Chemistry","2013","52","","8993","9004","10.1021/ic4011828","","x-ray","0.71073","MoKα","","0.114","0.0694","","","0.1841","0.2014","","","","","","1.122","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335623","10.9096","0.0006","11.1052","0.0005","20.2561","0.001","102.897","0.003","94.369","0.003","107.657","0.002","2252","0.2","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C56 H53 Fe P3 -","- C56 H53 Fe P3 -","- C112 H106 Fe2 P6 -","2","1","","Ayham Tohmé; Guillaume Grelaud; Gilles Argouarch; Thierry Roisnel; Arnaud Bondon; Frédéric Paul","Triarylphosphine Ligands with Pendant Electron-Rich ""[Fe(κ2-dppe)(η5-C5Me5)(C\τbC)]-"" Substituents","Inorganic Chemistry","2013","52","","8993","9004","10.1021/ic4011828","","x-ray","0.71073","MoKα","","0.1037","0.0634","","","0.1103","0.1268","","","","","","1.017","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335624","12.278","0.0004","21.9742","0.001","16.8487","0.0007","90","","103.994","0.002","90","","4410.9","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H53 Fe P3 -","- C56 H53 Fe P3 -","- C224 H212 Fe4 P12 -","4","1","","Ayham Tohmé; Guillaume Grelaud; Gilles Argouarch; Thierry Roisnel; Arnaud Bondon; Frédéric Paul","Triarylphosphine Ligands with Pendant Electron-Rich ""[Fe(κ2-dppe)(η5-C5Me5)(C\τbC)]-"" Substituents","Inorganic Chemistry","2013","52","","8993","9004","10.1021/ic4011828","","x-ray","0.71073","MoKα","","0.0721","0.0497","","","0.0943","0.1038","","","","","","1.031","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335625","12.394","0.0006","11.9823","0.0006","16.438","0.0009","90","","93.027","0.003","90","","2437.8","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C56 H53 F6 Fe P4 -","- C56 H53 F6 Fe P4 -","- C112 H106 F12 Fe2 P8 -","2","1","","Ayham Tohmé; Guillaume Grelaud; Gilles Argouarch; Thierry Roisnel; Arnaud Bondon; Frédéric Paul","Triarylphosphine Ligands with Pendant Electron-Rich ""[Fe(κ2-dppe)(η5-C5Me5)(C\τbC)]-"" Substituents","Inorganic Chemistry","2013","52","","8993","9004","10.1021/ic4011828","","x-ray","0.71073","MoKα","","0.0503","0.0445","","","0.1024","0.1085","","","","","","1.03","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335626","24.5857","0.0009","24.5857","","34.7513","0.0013","90","","90","","120","","18191.4","1","100","2","100","2","","","","","","","synthesis as described","4","R -3 :H","-R 3","148","","","","- C132 H129 Fe3 P7 -","- C132 H129 Fe3 P7 -","- C792 H774 Fe18 P42 -","6","0.333333","","Ayham Tohmé; Guillaume Grelaud; Gilles Argouarch; Thierry Roisnel; Arnaud Bondon; Frédéric Paul","Triarylphosphine Ligands with Pendant Electron-Rich ""[Fe(κ2-dppe)(η5-C5Me5)(C\τbC)]-"" Substituents","Inorganic Chemistry","2013","52","","8993","9004","10.1021/ic4011828","","x-ray","0.71073","MoKα","","0.0548","0.0441","","","0.1085","0.1138","","","","","","1.074","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335627","11.4768","0.0002","19.5895","0.0003","16.1293","0.0002","90","","98.104","0.001","90","","3590.05","0.09","100","","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Mo2 O2 P4 -","- C36 H54 Mo2 O2 P4 -","- C144 H216 Mo8 O8 P16 -","4","1","","M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Raquel Lozano; Alberto Ramos; Miguel A. Ruiz","Reactivity of the Anionic Diphosphorus Complex [Mo2Cp2(μ-PCy2)(μ-κ2:κ2-P2)(CO)2]- toward Phosphorus- and Transition Metal-Based Electrophiles","Inorganic Chemistry","2013","52","","9005","9018","10.1021/ic401204j","","x-ray","1.54184","CuKα","","0.038","0.0279","","","0.0653","0.0702","","","","","","1.051","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335628","21.6108","0.0003","13.2744","0.0002","12.9822","0.0002","90","","98.37","0.001","90","","3684.54","0.09","100","","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H45 Fe Mo2 O4 P3 -","- C38 H45 Fe Mo2 O4 P3 -","- C152 H180 Fe4 Mo8 O16 P12 -","4","1","","M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Raquel Lozano; Alberto Ramos; Miguel A. Ruiz","Reactivity of the Anionic Diphosphorus Complex [Mo2Cp2(μ-PCy2)(μ-κ2:κ2-P2)(CO)2]- toward Phosphorus- and Transition Metal-Based Electrophiles","Inorganic Chemistry","2013","52","","9005","9018","10.1021/ic401204j","","x-ray","1.54184","CuKα","","0.0582","0.0488","","","0.118","0.1221","","","","","","1.107","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335629","19.11","0.005","18.373","0.005","21.129","0.005","90","0.005","114.284","0.005","90","0.005","6762","3","150","","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 Mn2 Mo4 O12 P6 -","- C56 H64 Mn2 Mo4 O12 P6 -","- C224 H256 Mn8 Mo16 O48 P24 -","4","1","","M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Raquel Lozano; Alberto Ramos; Miguel A. Ruiz","Reactivity of the Anionic Diphosphorus Complex [Mo2Cp2(μ-PCy2)(μ-κ2:κ2-P2)(CO)2]- toward Phosphorus- and Transition Metal-Based Electrophiles","Inorganic Chemistry","2013","52","","9005","9018","10.1021/ic401204j","","x-ray","1.54184","CuKα","","0.1274","0.0941","","","0.2679","0.3096","","","","","","1.089","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335630","22.0385","0.0012","18.5783","0.0007","19.1055","0.001","90","","117.887","0.007","90","","6914.1","0.7","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 Mo4 O12 P6 Re2 -","- C56 H64 Mo4 O12 P6 Re2 -","- C224 H256 Mo16 O48 P24 Re8 -","4","0.5","","M. Angeles Alvarez; M. Esther García; Daniel García-Vivó; Raquel Lozano; Alberto Ramos; Miguel A. Ruiz","Reactivity of the Anionic Diphosphorus Complex [Mo2Cp2(μ-PCy2)(μ-κ2:κ2-P2)(CO)2]- toward Phosphorus- and Transition Metal-Based Electrophiles","Inorganic Chemistry","2013","52","","9005","9018","10.1021/ic401204j","","x-ray","1.54184","CuKα","","0.0748","0.0585","","","0.1501","0.162","","","","","","1.055","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335631","8.9817","0.0013","8.9817","0.0013","11.006","0.002","90","","90","","120","","768.9","0.2","293","2","293","2","","","","","","","","5","P 3 m 1","P 3 -2""","156","alpha-Formamidinium_Lead_Iodide","","","- C H5 I3 N2 Pb -","- C I3 N2.01 Pb -","- C3 I9 N6.03 Pb3 -","3","0.5","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0892","0.0398","","","0.0666","0.0807","","","","","","0.908","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335632","6.2302","0.001","6.2302","0.001","6.2316","0.0011","90","","90","","90","","241.88","0.07","293","2","293","2","","","","","","","","5","P 4 m m","P 4 -2","99","alpha-Methylammonium_Tin_Iodide","","","- C H6 I3 N Sn -","- C I3 N Sn -","- C I3 N Sn -","1","0.125","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0451","0.0327","","","0.0576","0.0613","","","","","","1.262","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335633","6.3286","0.001","8.9554","0.0011","8.9463","0.0011","90","","90","","90","","507.03","0.12","340","2","340","2","","","","","","","","5","A m m 2","A 2 -2","38","alpha-Formamidinium_Tin_Iodide","","","- C H5 I3 N2 Sn -","- C H5 I3 N2 Sn -","- C2 H10 I6 N4 Sn2 -","2","0.25","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0615","0.0323","","","0.0577","0.0632","","","","","","0.861","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335634","6.3115","0.0002","6.3115","0.0002","6.3161","0.0002","90","","90","","90","","251.602","0.014","400","2","400","2","","","","","","","","5","P 4 m m","P 4 -2","99","alpha-Methylammonium_Lead_Iodide","","","- C H6 I3 N Pb -","- C I3 N Pb -","- C I3 N Pb -","1","0.125","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0417","0.0417","","","0.0981","0.0981","","","","","","1.176","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335635","17.7914","0.0008","17.7914","0.0008","10.9016","0.0006","90","","90","","120","","2988.4","0.3","150","2","150","2","","","","","","","","5","P 3","P 3","143","beta-Formamidinium_Lead_Iodide","","","- C H5 I3 N2 Pb -","- C I3 N2.0025 Pb -","- C12 I36 N24.03 Pb12 -","12","4","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.178","0.0656","","","0.1584","0.2133","","","","","","0.839","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335636","8.7577","0.0015","8.7577","0.0015","12.429","0.003","90","","90","","90","","953.3","0.3","200","2","200","2","","","","","","","","5","I 4 c m","I 4 -2c","108","beta-Methylammonium_Tin_Iodide","","","- C H6 I3 N Sn -","- C I3 N Sn -","- C4 I12 N4 Sn4 -","4","0.25","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0639","0.0637","","","0.1442","0.1443","","","","","","1.142","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335637","12.5121","0.0009","12.5171","0.0008","12.5099","0.0009","90","","90","","90","","1959.2","0.2","180","2","180","2","","","","","","","","5","I m m 2","I 2 -2","44","beta-Formamidinium_Tin_Iodide","","","- C H5 I3 N2 Sn -","- C I3 N2 Sn -","- C8 I24 N16 Sn8 -","8","1","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.078","0.0486","","","0.1276","0.1432","","","","","","0.963","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335638","8.849","0.002","8.849","0.002","12.642","0.002","90","","90","","90","","989.9","0.4","293","2","293","2","","","","","","","","5","I 4 c m","I 4 -2c","108","beta-Methylammonium_Lead_Triiodide","","","- C H6 I3 N Pb -","- C I3 N Pb -","- C4 I12 N4 Pb4 -","4","0.25","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0418","0.0378","","","0.0865","0.0879","","","","","","1.268","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335639","10.4342","0.0007","4.7905","0.0003","17.761","0.001","90","","90","","90","","887.78","0.1","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","delta-Cesium_Lead_Iodide","","","- Cs I3 Pb -","- Cs I3 Pb -","- Cs4 I12 Pb4 -","4","0.5","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0364","0.0266","","","0.0457","0.0477","","","","","","1.069","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335640","8.6603","0.0014","8.6603","0.0014","7.9022","0.0006","90","","90","","120","","513.27","0.12","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","delta-Formamidinium_Lead_Iodide","","","- C H5 I3 N2 Pb -","- C I3 N2.01 Pb -","- C2 I6 N4.02 Pb2 -","2","0.166667","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0516","0.0437","","","0.1066","0.1102","","","","","","1.055","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335641","8.8552","0.0006","8.8552","0.0006","12.5353","0.0012","90","","90","","90","","982.95","0.13","293","2","293","2","","","","","","","","6","I 4 c m","I 4 -2c","108","beta-Methylammonium_Tin_Lead_Iodide","","","- C H3 I3 N Pb0.57 Sn0.43 -","- C I3 N Pb0.569 Sn0.431 -","- C4 I12 N4 Pb2.276 Sn1.724 -","4","0.25","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0809","0.0678","","","0.1732","0.1809","","","","","","1.162","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335642","11.6276","0.0009","11.6276","0.0009","11.6276","0.0009","90","","90","","90","","1572.1","0.2","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","Dicesium_Tin_Hexaiodide","","","- Cs2 I6 Sn -","- Cs2 I6 Sn -","- Cs8 I24 Sn4 -","4","0.0208333","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.0322","0.0317","","","0.0697","0.0698","","","","","","1.483","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335643","8.223","0.0002","9.0751","0.0002","40.322","0.002","90","","90","","90","","3009.01","0.18","150","2","150","2","","","","","","","","8","P 21 c a","P -2ac 2a","29","nalidixicato(dimethylsulfoxide-S)(1,4,7-trithiacyclononane-S,S',S'')ruthenium(II) hexafluorophosphate trihydrate","1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylato-κ^2^O,O)(dimethylsulfoxide-S)(1,4,7-trithiacyclononane-S,S',S'')ruthenium(II) hexafluorophosphate trihydrate","","- C20 H35 F6 N2 O7 P Ru S4 -","- C20 H35 F6 N2 O7 P Ru S4 -","- C80 H140 F24 N8 O28 P4 Ru4 S16 -","4","1","","Jakob Kljun; Ioannis Bratsos; Enzo Alessio; George Psomas; Urška Repnik; Miha Butinar; Boris Turk; Iztok Turel","New Uses for Old Drugs: Attempts to Convert Quinolone Antibacterials into Potential Anticancer Agents Containing Ruthenium","Inorganic Chemistry","2013","52","","9039","9052","10.1021/ic401220x","","","0.71073","MoKα","","0.0294","0.0251","","","0.0524","0.0541","","","","","","1.072","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335644","11.1562","0.0002","17.8934","0.0004","15.5908","0.0003","90","","102.354","0.0012","90","","3040.21","0.11","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","cinoxacinato(dimethylsulfoxide-S)(1,4,7-trithiacyclononane-S,S',S'') ruthenium(II) hexafluorophosphate ethanol solvate","(1-ethyl-4-oxo-1,4-dihydro-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylato-κ^2^O,O) (dimethylsulfoxide-S)(1,4,7-trithiacyclononane-S,S',S'')ruthenium(II) hexafluorophosphate ethanol solvate'","","- C22 H33 F6 N2 O7 P Ru S4 -","- C22 H33 F6 N2 O7 P Ru S4 -","- C88 H132 F24 N8 O28 P4 Ru4 S16 -","4","1","","Jakob Kljun; Ioannis Bratsos; Enzo Alessio; George Psomas; Urška Repnik; Miha Butinar; Boris Turk; Iztok Turel","New Uses for Old Drugs: Attempts to Convert Quinolone Antibacterials into Potential Anticancer Agents Containing Ruthenium","Inorganic Chemistry","2013","52","","9039","9052","10.1021/ic401220x","","","0.71073","MoKα","","0.0753","0.0469","","","0.1313","0.1508","","","","","","0.981","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335645","8.1892","0.0004","11.2458","0.0006","12.4482","0.0006","114.674","0.005","100.562","0.004","97.597","0.004","995.74","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 N2 O2 S -","- C21 H28 N2 O2 S -","- C42 H56 N4 O4 S2 -","2","1","","Tao Yang; Hao Cui; Changhe Zhang; Li Zhang; Cheng-Yong Su","Porous Metal-Organic Framework Catalyzing the Three-Component Coupling of Sulfonyl Azide, Alkyne, and Amine","Inorganic Chemistry","2013","52","","9053","9059","10.1021/ic4012229","","","1.54178","CuKα","","0.0395","0.0359","","","0.1298","0.138","","","","","","1.168","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335646","8.1839","0.0005","11.2473","0.001","12.4963","0.001","113.369","0.008","100.239","0.006","98.051","0.006","1010.45","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H27 F N2 O2 S -","- C21 H27 F N2 O2 S -","- C42 H54 F2 N4 O4 S2 -","2","1","","Tao Yang; Hao Cui; Changhe Zhang; Li Zhang; Cheng-Yong Su","Porous Metal-Organic Framework Catalyzing the Three-Component Coupling of Sulfonyl Azide, Alkyne, and Amine","Inorganic Chemistry","2013","52","","9053","9059","10.1021/ic4012229","","","1.54178","CuKα","","0.0521","0.0462","","","0.13","0.1432","","","","","","1.02","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335647","9.964","0.011","10.737","0.012","11.29","0.02","101.23","0.05","98.6","0.05","111.73","0.04","1067","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H64 Li4 O6 Ru2 -","- C44 H64 Li4 O6 Ru2 -","- C44 H64 Li4 O6 Ru2 -","1","0.5","","Holger Braunschweig; Florian Hupp; Thomas Kramer; Julian Mager","Structure and Reactivity of Distanna[2]metallocenophanes of Ruthenium and Osmium","Inorganic Chemistry","2013","52","","9060","9065","10.1021/ic4012247","","","0.71073","MoKα","","0.0422","0.0325","","","0.0698","0.0737","","","","","","1.025","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335648","8.5778","0.0005","17.2387","0.0009","14.0546","0.0008","90","","100.259","0.002","90","","2045","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Li4 N6 Ru2 -","- C38 H62 Li4 N6 Ru2 -","- C76 H124 Li8 N12 Ru4 -","2","0.5","","Holger Braunschweig; Florian Hupp; Thomas Kramer; Julian Mager","Structure and Reactivity of Distanna[2]metallocenophanes of Ruthenium and Osmium","Inorganic Chemistry","2013","52","","9060","9065","10.1021/ic4012247","","","0.71073","MoKα","","0.0205","0.0176","","","0.0441","0.046","","","","","","1.057","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335649","8.561","0.006","17.202","0.012","14.003","0.009","90","","100.2","0.02","90","","2030","2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Li4 N6 Os2 -","- C38 H62 Li4 N6 Os2 -","- C76 H124 Li8 N12 Os4 -","2","0.5","","Holger Braunschweig; Florian Hupp; Thomas Kramer; Julian Mager","Structure and Reactivity of Distanna[2]metallocenophanes of Ruthenium and Osmium","Inorganic Chemistry","2013","52","","9060","9065","10.1021/ic4012247","","","0.71073","MoKα","","0.0273","0.0207","","","0.0457","0.048","","","","","","1.034","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335650","12.3312","0.0009","8.3327","0.0007","14.8501","0.0012","90","","109.441","0.004","90","","1438.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Os Si2 -","- C14 H20 Os Si2 -","- C56 H80 Os4 Si8 -","4","1","","Holger Braunschweig; Florian Hupp; Thomas Kramer; Julian Mager","Structure and Reactivity of Distanna[2]metallocenophanes of Ruthenium and Osmium","Inorganic Chemistry","2013","52","","9060","9065","10.1021/ic4012247","","","0.71073","MoKα","","0.0152","0.0142","","","0.0342","0.0345","","","","","","1.06","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335651","16.7387","0.0014","9.176","0.0007","18.567","0.0015","90","","110.272","0.001","90","","2675.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Ru Sn2 -","- C26 H44 Ru Sn2 -","- C104 H176 Ru4 Sn8 -","4","1","","Holger Braunschweig; Florian Hupp; Thomas Kramer; Julian Mager","Structure and Reactivity of Distanna[2]metallocenophanes of Ruthenium and Osmium","Inorganic Chemistry","2013","52","","9060","9065","10.1021/ic4012247","","","0.71073","MoKα","","0.0143","0.0136","","","0.0483","0.0489","","","","","","1.07","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335652","16.831","0.011","9.216","0.006","18.629","0.012","90","","110.178","0.015","90","","2712","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 Os Sn2 -","- C26 H44 Os Sn2 -","- C104 H176 Os4 Sn8 -","4","1","","Holger Braunschweig; Florian Hupp; Thomas Kramer; Julian Mager","Structure and Reactivity of Distanna[2]metallocenophanes of Ruthenium and Osmium","Inorganic Chemistry","2013","52","","9060","9065","10.1021/ic4012247","","","0.71073","MoKα","","0.0289","0.0213","","","0.043","0.045","","","","","","1.053","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335653","32.021","0.003","13.1481","0.0012","10.017","0.0009","90","","94.697","0.003","90","","4203.1","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 Ag11 F6 O16 P4 -","- C30 H Ag11 F6.02 O16 P4 -","- C120 H4 Ag44 F24.08 O64 P16 -","4","0.5","","Ting Hu; Thomas C. W. Mak","Silver(I) Multiple Salts Assembled with Phosphonate, Perfluorocarboxylate, and the Multinuclear Silver-Ethynediide Supramolecular Synthon","Inorganic Chemistry","2013","52","","9066","9076","10.1021/ic401259r","","","0.71073","MoKα","","0.0654","0.0625","","","0.1686","0.1713","","","","","","1.101","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335654","43.334","0.003","9.8486","0.0006","27.1505","0.0018","90","","125.101","0.001","90","","9480","1.1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H48 Ag26 F12 O35 P8 -","- C64 H48 Ag26 F12 O35 P8 -","- C256 H192 Ag104 F48 O140 P32 -","4","0.5","","Ting Hu; Thomas C. W. Mak","Silver(I) Multiple Salts Assembled with Phosphonate, Perfluorocarboxylate, and the Multinuclear Silver-Ethynediide Supramolecular Synthon","Inorganic Chemistry","2013","52","","9066","9076","10.1021/ic401259r","","","0.71073","MoKα","","0.0835","0.0613","","","0.1513","0.1696","","","","","","1.033","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335655","33.403","0.003","13.8873","0.0012","18.3033","0.0015","90","","105.644","0.002","90","","8176","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Ag9 F6 O16 P4 -","- C30 H23 Ag9 F6 O16 P4 -","- C240 H184 Ag72 F48 O128 P32 -","8","1","","Ting Hu; Thomas C. W. Mak","Silver(I) Multiple Salts Assembled with Phosphonate, Perfluorocarboxylate, and the Multinuclear Silver-Ethynediide Supramolecular Synthon","Inorganic Chemistry","2013","52","","9066","9076","10.1021/ic401259r","","","0.71073","MoKα","","0.1017","0.0669","","","0.153","0.1722","","","","","","1.013","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335656","16.3767","0.0014","13.0796","0.0011","16.4928","0.0014","90","","115.224","0.002","90","","3195.9","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H29 Ag7 F3 O11 P3 -","- C16 H29 Ag7 F3 O11 P3 -","- C64 H116 Ag28 F12 O44 P12 -","4","1","","Ting Hu; Thomas C. W. Mak","Silver(I) Multiple Salts Assembled with Phosphonate, Perfluorocarboxylate, and the Multinuclear Silver-Ethynediide Supramolecular Synthon","Inorganic Chemistry","2013","52","","9066","9076","10.1021/ic401259r","","","0.71073","MoKα","","0.1017","0.0789","","","0.2044","0.2185","","","","","","1.083","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335657","5.677","0.0004","28.777","0.002","14.4277","0.0011","90","","99.194","0.001","90","","2326.7","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Ag7 F3 O8 P2 -","- C12 H18 Ag7 F3 O8 P2 -","- C48 H72 Ag28 F12 O32 P8 -","4","0.5","","Ting Hu; Thomas C. W. Mak","Silver(I) Multiple Salts Assembled with Phosphonate, Perfluorocarboxylate, and the Multinuclear Silver-Ethynediide Supramolecular Synthon","Inorganic Chemistry","2013","52","","9066","9076","10.1021/ic401259r","","","0.71073","MoKα","","0.0561","0.0488","","","0.1262","0.1326","","","","","","1.02","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335658","25.5968","0.0018","10.7337","0.0007","42.179","0.003","90","","120.295","0.004","90","","10006.1","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H44 Ag28 F20 O34 P8 -","- C68 H44 Ag28 F20 O34 P8 -","- C272 H176 Ag112 F80 O136 P32 -","4","1","","Ting Hu; Thomas C. W. Mak","Silver(I) Multiple Salts Assembled with Phosphonate, Perfluorocarboxylate, and the Multinuclear Silver-Ethynediide Supramolecular Synthon","Inorganic Chemistry","2013","52","","9066","9076","10.1021/ic401259r","","","0.71073","MoKα","","0.1288","0.0796","","","0.1768","0.2069","","","","","","1.098","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335659","25.1317","0.0018","18.155","0.0013","28.2564","0.0018","90","","104.508","0.001","90","","12481.3","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H27 Ag12 F30 O24 P2 -","- C35 H15 Ag12 F30 O24 P2 -","- C280 H120 Ag96 F240 O192 P16 -","8","1","","Ting Hu; Thomas C. W. Mak","Silver(I) Multiple Salts Assembled with Phosphonate, Perfluorocarboxylate, and the Multinuclear Silver-Ethynediide Supramolecular Synthon","Inorganic Chemistry","2013","52","","9066","9076","10.1021/ic401259r","","","0.71073","MoKα","","0.1065","0.0904","","","0.2271","0.2427","","","","","","1.006","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335660","9.857","0.0006","15.3321","0.0009","13.894","0.0009","90","","91.977","0.005","90","","2098.5","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H35 B8 N -","- C17 H35 B8 N -","- C68 H140 B32 N4 -","4","1","","Mario Bakardjiev; Bohumil Štíbr; Josef Holub; Zdeňka Padělková; Aleš Růžička","Carbon Insertion into arachno-6,9-C2B8H14 via Acyl Chlorides. Skeletal Alkylcarbonation (SAC) Reactions: A New Route for Tricarbollides","Inorganic Chemistry","2013","52","","9087","9093","10.1021/ic401293g","","","0.71073","MoKα","","0.1218","0.0763","","","0.1664","0.1991","","","","","","1.13","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335661","9.306","0.0003","11.13","0.0008","20.1821","0.0011","90","","97.688","0.004","90","","2071.6","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 B8 I N -","- C15 H30 B8 I N -","- C60 H120 B32 I4 N4 -","4","1","","Mario Bakardjiev; Bohumil Štíbr; Josef Holub; Zdeňka Padělková; Aleš Růžička","Carbon Insertion into arachno-6,9-C2B8H14 via Acyl Chlorides. Skeletal Alkylcarbonation (SAC) Reactions: A New Route for Tricarbollides","Inorganic Chemistry","2013","52","","9087","9093","10.1021/ic401293g","","","0.71073","MoKα","","0.0541","0.0404","","","0.089","0.0976","","","","","","1.041","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335662","4.5508","0.0008","16.753","0.003","9.1342","0.0016","90","","90","","90","","696.4","0.2","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La2 Sn Zn5 -","- La2 Sn Zn5 -","- La8 Sn4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0348","0.0259","","","0.0542","0.0568","","","","","","1.141","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335663","4.5047","0.0014","16.638","0.005","9.104","0.003","90","","90","","90","","682.3","0.4","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce2 Sn Zn5 -","- Ce2 Sn Zn5 -","- Ce8 Sn4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0171","0.0153","","","0.03","0.0305","","","","","","1.16","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335664","4.4756","0.0005","16.564","0.0018","9.0747","0.001","90","","90","","90","","672.74","0.13","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Pr2 Sn Zn5 -","- Pr2 Sn Zn5 -","- Pr8 Sn4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0184","0.0154","","","0.036","0.0374","","","","","","1.117","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335665","4.4494","0.0015","16.51","0.006","9.066","0.003","90","","90","","90","","666","0.4","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Nd2 Sn Zn5 -","- Nd2 Sn Zn5 -","- Nd8 Sn4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0394","0.0274","","","0.0596","0.0648","","","","","","1.082","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335666","4.555","0.0004","16.8373","0.0015","9.1721","0.0008","90","","90","","90","","703.44","0.11","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La2 Pb Zn5 -","- La2 Pb Zn5 -","- La8 Pb4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0259","0.0251","","","0.057","0.0575","","","","","","1.104","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335667","4.514","0.0012","16.751","0.004","9.159","0.002","90","","90","","90","","692.5","0.3","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce2 Pb Zn5 -","- Ce2 Pb Zn5 -","- Ce8 Pb4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.025","0.0204","","","0.0392","0.0404","","","","","","1.112","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335668","4.4636","0.0008","16.632","0.003","9.124","0.0016","90","","90","","90","","677.4","0.2","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Pb Pr2 Zn5 -","- Pb Pr2 Zn5 -","- Pb4 Pr8 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0223","0.0204","","","0.0361","0.0365","","","","","","1.156","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335669","4.4594","0.0008","16.622","0.003","9.1187","0.0017","90","","90","","90","","675.9","0.2","200","2","200","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Nd2 Pb Zn5 -","- Nd2 Pb Zn5 -","- Nd8 Pb4 Zn20 -","4","0.25","","Nian-Tzu Suen; Svilen Bobev","New Polar Intermetallic Phases RE2Zn5Tt (RE = La-Nd; Tt = Sn and Pb): Synthesis, Structure, Chemical Bonding, and Magnetic Properties","Inorganic Chemistry","2013","52","","9102","9110","10.1021/ic401339v","","","0.71073","MoKα","","0.0298","0.0254","","","0.0513","0.0525","","","","","","1.126","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335670","10.42","0.1","12.7","0.14","16.65","0.19","90","","104.19","0.16","90","","2136","4","93","1","93","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H55 Co Mn N11 O10 -","- C33 H39 Co Mn N11 O10 -","- C66 H78 Co2 Mn2 N22 O20 -","2","1","","Ryuta Ishikawa; Ryo Miyamoto; Hiroyuki Nojiri; Brian K. Breedlove; Masahiro Yamashita","Slow Relaxation of the Magnetization of an MnIII Single Ion","Inorganic Chemistry","2013","52","","8300","8302","10.1021/ic401351w","","","0.71075","MoKα","","0.12","0.071","","","0.1524","0.183","","","","","","1.017","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335671","10.449","0.002","31.394","0.005","6.6452","0.0014","90","","90","","90","","2179.9","0.7","143","1","143","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C10 H34 B10 Si2 -","- C10 H34 B10 Si2 -","- C40 H136 B40 Si8 -","4","0.5","","Shahana Chatterjee; Patrick J. Carroll; Larry G. Sneddon","Iridium and Ruthenium Catalyzed Syntheses, Hydroborations, and Metathesis Reactions of Alkenyl-Decaboranes","Inorganic Chemistry","2013","52","","9119","9130","10.1021/ic401356u","","","0.71073","MoKα","","0.0619","0.0581","","","0.145","0.1476","","","","","","1.089","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335672","5.7403","0.0003","11.1992","0.0006","14.4436","0.0008","104.692","0.003","94.928","0.003","90.028","0.003","894.61","0.08","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C8 H24 B10 Br2 -","- C8 H24 B10 Br2 -","- C16 H48 B20 Br4 -","2","1","","Shahana Chatterjee; Patrick J. Carroll; Larry G. Sneddon","Iridium and Ruthenium Catalyzed Syntheses, Hydroborations, and Metathesis Reactions of Alkenyl-Decaboranes","Inorganic Chemistry","2013","52","","9119","9130","10.1021/ic401356u","","","0.71073","MoKα","","0.062","0.0461","","","0.1113","0.1184","","","","","","1.066","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335673","10.9921","0.0017","12.957","0.002","17.301","0.003","97.65","0.006","96.083","0.005","90.37","0.004","2427.9","0.7","143","1","143","1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H42 B10 -","- C18 H42 B10 -","- C72 H168 B40 -","4","2","","Shahana Chatterjee; Patrick J. Carroll; Larry G. Sneddon","Iridium and Ruthenium Catalyzed Syntheses, Hydroborations, and Metathesis Reactions of Alkenyl-Decaboranes","Inorganic Chemistry","2013","52","","9119","9130","10.1021/ic401356u","","","0.71073","MoKα","","0.0558","0.0448","","","0.1101","0.1208","","","","","","1.045","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335674","69.954","0.003","6.4085","0.0003","10.4893","0.0005","90","","94.193","0.003","90","","4689.8","0.4","143","1","143","1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H34 B10 Si -","- C16 H34 B10 Si -","- C128 H272 B80 Si8 -","8","2","","Shahana Chatterjee; Patrick J. Carroll; Larry G. Sneddon","Iridium and Ruthenium Catalyzed Syntheses, Hydroborations, and Metathesis Reactions of Alkenyl-Decaboranes","Inorganic Chemistry","2013","52","","9119","9130","10.1021/ic401356u","","","0.71073","MoKα","","0.1084","0.0554","","","0.0943","0.1134","","","","","","0.995","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335675","52.156","0.005","6.4205","0.0006","10.4066","0.001","90","","99.024","0.003","90","","3441.7","0.6","143","1","143","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H58 B20 Si2 -","- C14 H58 B20 Si2 -","- C56 H232 B80 Si8 -","4","0.5","","Shahana Chatterjee; Patrick J. Carroll; Larry G. Sneddon","Iridium and Ruthenium Catalyzed Syntheses, Hydroborations, and Metathesis Reactions of Alkenyl-Decaboranes","Inorganic Chemistry","2013","52","","9119","9130","10.1021/ic401356u","","","0.71073","MoKα","","0.0721","0.0649","","","0.1647","0.1682","","","","","","1.252","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335676","16.787","0.002","5.7385","0.0009","15.027","0.002","90","","105.944","0.008","90","","1391.9","0.3","143","1","143","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H50 B20 -","- C12 H50 B20 -","- C24 H100 B40 -","2","0.5","","Shahana Chatterjee; Patrick J. Carroll; Larry G. Sneddon","Iridium and Ruthenium Catalyzed Syntheses, Hydroborations, and Metathesis Reactions of Alkenyl-Decaboranes","Inorganic Chemistry","2013","52","","9119","9130","10.1021/ic401356u","","","0.71073","MoKα","","0.0846","0.0671","","","0.176","0.1971","","","","","","1.077","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335677","25.509","0.002","6.5166","0.0007","10.4197","0.0011","90","","94.253","0.004","90","","1727.3","0.3","143","1","143","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C14 H56 B20 Si2 -","- C14 H56 B20 Si2 -","- C28 H112 B40 Si4 -","2","0.5","","Shahana Chatterjee; Patrick J. Carroll; Larry G. Sneddon","Iridium and Ruthenium Catalyzed Syntheses, Hydroborations, and Metathesis Reactions of Alkenyl-Decaboranes","Inorganic Chemistry","2013","52","","9119","9130","10.1021/ic401356u","","","0.71073","MoKα","","0.0939","0.0902","","","0.219","0.2211","","","","","","1.159","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335678","5.4488","0.0003","5.4488","0.0003","10.6428","0.0007","90","","90","","90","","315.98","0.03","100","2","100","2","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","Neptunium selenide","","","- Np2 Se5 -","- Np2 Se5 -","- Np4 Se10 -","2","0.125","","Geng Bang Jin; Yung-Jin Hu; Brian Bellott; S. Skanthakumar; Richard G. Haire; L. Soderholm; James A. Ibers","Reinvestigation of Np2Se5: A Clear Divergence from Th2S5 and Th2Se5 in Chalcogen-Chalcogen and Metal-Chalcogen Interactions","Inorganic Chemistry","2013","52","","9111","9118","10.1021/ic401384t","","","0.71073","MoKα","","0.0213","0.0188","","","0.0422","0.0428","","","","","","1.369","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335679","12.1594","0.0011","11.8457","0.0011","8.5409","0.0008","90","","128.787","0.002","90","","958.92","0.16","100","2","100","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- F12 H2 O U3 -","- F12 H2 O U3 -","- F48 H8 O4 U12 -","4","1","","Jeongho Yeon; Mark D. Smith; Athena S. Sefat; T. Thao Tran; P. Shiv Halasyamani; Hans-Conrad zur Loye","U3F12(H2O), a Noncentrosymmetric Uranium(IV) Fluoride Prepared via a Convenient In Situ Route That Creates U4+ under Mild Hydrothermal Conditions","Inorganic Chemistry","2013","52","","8303","8305","10.1021/ic401412t","","","0.71073","MoKα","","0.0321","0.0308","","","0.0675","0.0681","","","","","","1.062","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335680","27.702","0.004","27.702","0.004","14.175","0.002","90","","90","","90","","10878","3","100","2","100","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","LCu(OH)Na","","","- C56 H66 Cu2 N12 Na2 O6 -","- C56 H66 Cu2 N12 Na2 O6 -","- C448 H528 Cu16 N96 Na16 O48 -","8","0.5","","Mohammad Reza Halvagar; William B. Tolman","Isolation of a 2-Hydroxytetrahydrofuran Complex from Copper-Promoted Hydroxylation of THF","Inorganic Chemistry","2013","52","","8306","8308","10.1021/ic401446s","","neutron","0.71073","MoKα","","0.0767","0.0447","","","0.1016","0.1213","","","","","","1.001","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335681","14.131","0.004","16.013","0.005","32.378","0.01","90","","90","","90","","7326","4","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","LCu(OTHF)Na","","","- C64 H78 Cu2 N12 Na2 O8 -","- C64 H78 Cu2 N12 Na2 O8 -","- C256 H312 Cu8 N48 Na8 O32 -","4","1","","Mohammad Reza Halvagar; William B. Tolman","Isolation of a 2-Hydroxytetrahydrofuran Complex from Copper-Promoted Hydroxylation of THF","Inorganic Chemistry","2013","52","","8306","8308","10.1021/ic401446s","","neutron","0.71073","MoKα","","0.1657","0.0916","","","0.1953","0.2277","","","","","","0.897","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335682","9.86","0.002","13.096","0.003","13.529","0.003","87.453","0.001","74.687","0.001","70.083","0.001","1582.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H94 Co2 Mn2 O14 -","- C50 H94 Co2 Mn2 O14 -","- C50 H94 Co2 Mn2 O14 -","1","0.5","","Guilherme P. Guedes; Stéphane Soriano; Luiza A. Mercante; Nivaldo L. Speziali; Miguel A. Novak; Marius Andruh; Maria G. F. Vaz","New Synthetic Route toward Heterometallic 3d-3d' and 3d-4f Single-Molecule Magnets. The First CoII-MnIII Heterometallic Complex","Inorganic Chemistry","2013","52","","8309","8311","10.1021/ic401479d","","","0.71073","MoKα","","0.0707","0.063","","","0.1803","0.1861","","","","","","1.074","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335683","10.5291","0.0006","14.5298","0.0008","14.8549","0.0008","102.492","0.005","104.694","0.005","95.72","0.005","2117.3","0.2","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H140 Gd2 Mn2 O20 -","- C74 H140 Gd2 Mn2 O20 -","- C74 H140 Gd2 Mn2 O20 -","1","0.5","","Guilherme P. Guedes; Stéphane Soriano; Luiza A. Mercante; Nivaldo L. Speziali; Miguel A. Novak; Marius Andruh; Maria G. F. Vaz","New Synthetic Route toward Heterometallic 3d-3d' and 3d-4f Single-Molecule Magnets. The First CoII-MnIII Heterometallic Complex","Inorganic Chemistry","2013","52","","8309","8311","10.1021/ic401479d","","","0.71073","MoKα","","0.113","0.0724","","","0.1724","0.2078","","","","","","1.079","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335684","10.6115","0.0005","14.4419","0.0007","14.9207","0.0007","103.114","0.004","105.674","0.004","95.293","0.004","2115.22","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H140 Mn2 O20 Tb2 -","- C74 H140 Mn2 O20 Tb2 -","- C74 H140 Mn2 O20 Tb2 -","1","0.5","","Guilherme P. Guedes; Stéphane Soriano; Luiza A. Mercante; Nivaldo L. Speziali; Miguel A. Novak; Marius Andruh; Maria G. F. Vaz","New Synthetic Route toward Heterometallic 3d-3d' and 3d-4f Single-Molecule Magnets. The First CoII-MnIII Heterometallic Complex","Inorganic Chemistry","2013","52","","8309","8311","10.1021/ic401479d","","","0.71073","MoKα","","0.1173","0.0716","","","0.1737","0.2137","","","","","","1.076","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335685","10.7839","0.0016","14.031","0.002","15.4362","0.0014","104.03","0.01","108.983","0.01","93.641","0.012","2116.8","0.5","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H132 Dy2 Mn2 O18 -","- C72 H132 Dy2 Mn2 O18 -","- C72 H132 Dy2 Mn2 O18 -","1","0.5","","Guilherme P. Guedes; Stéphane Soriano; Luiza A. Mercante; Nivaldo L. Speziali; Miguel A. Novak; Marius Andruh; Maria G. F. Vaz","New Synthetic Route toward Heterometallic 3d-3d' and 3d-4f Single-Molecule Magnets. The First CoII-MnIII Heterometallic Complex","Inorganic Chemistry","2013","52","","8309","8311","10.1021/ic401479d","","","0.71073","MoKα","","0.1373","0.0833","","","0.1862","0.2272","","","","","","1.044","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335686","11.3789","0.0003","18.0065","0.0004","16.6694","0.0004","90","","109.518","0.001","90","","3219.2","0.14","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H29 B F15 N P2 -","- C30 H29 B F15 N P2 -","- C120 H116 B4 F60 N4 P8 -","4","2","","Brian M. Barry; Diane A. Dickie; Luke J. Murphy; Jason A. C. Clyburne; Richard A. Kemp","NH/PH Isomerization and a Lewis Pair for Carbon Dioxide Capture","Inorganic Chemistry","2013","52","","8312","8314","10.1021/ic401498r","","","0.71073","MoKα","","0.0746","0.0535","","","0.133","0.1473","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4335687","11.0942","0.0006","11.7853","0.0006","14.1266","0.0008","86.354","0.003","78.409","0.003","71.513","0.003","1715.99","0.16","171","2","171","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H29 B F15 N O2 P2 -","- C31 H29 B F15 N O2 P2 -","- C62 H58 B2 F30 N2 O4 P4 -","2","1","","Brian M. Barry; Diane A. Dickie; Luke J. Murphy; Jason A. C. Clyburne; Richard A. Kemp","NH/PH Isomerization and a Lewis Pair for Carbon Dioxide Capture","Inorganic Chemistry","2013","52","","8312","8314","10.1021/ic401498r","","","0.71073","MoKα","","0.08","0.0486","","","0.1099","0.1265","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4335688","8.9708","0.0017","17.477","0.004","10.599","0.002","90","","110.448","0.011","90","","1557","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 B F14 N P2 -","- C30 H28 B F14 N P2 -","- C60 H56 B2 F28 N2 P4 -","2","1","","Brian M. Barry; Diane A. Dickie; Luke J. Murphy; Jason A. C. Clyburne; Richard A. Kemp","NH/PH Isomerization and a Lewis Pair for Carbon Dioxide Capture","Inorganic Chemistry","2013","52","","8312","8314","10.1021/ic401498r","","","0.71073","MoKα","","0.1511","0.0653","","","0.0903","0.1177","","","","","","0.988","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4335689","9.9153","0.0015","13.034","0.002","13.889","0.002","86.354","0.008","80.955","0.008","74.527","0.008","1707.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H35 B F14 N P2 -","- C33 H35 B F14 N P2 -","- C66 H70 B2 F28 N2 P4 -","2","1","","Brian M. Barry; Diane A. Dickie; Luke J. Murphy; Jason A. C. Clyburne; Richard A. Kemp","NH/PH Isomerization and a Lewis Pair for Carbon Dioxide Capture","Inorganic Chemistry","2013","52","","8312","8314","10.1021/ic401498r","","","0.71073","MoKα","","0.0765","0.0515","","","0.1445","0.1624","","","","","","1.048","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4335690","24.3","0.03","10.242","0.013","24.98","0.03","90","","108.16","0.04","90","","5907","13","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C124 H108 F12 N8 O26 Ru4 S4 -","- C124 H104 F12 N8 O26 Ru4 S4 -","- C248 H208 F24 N16 O52 Ru8 S8 -","2","0.5","","Anurag Mishra; Hyunji Jung; Min Hyung Lee; Myoung Soo Lah; Ki-Whan Chi","Synthesis and Characterization of Self-Assembled Nanoscopic Metallarectangles Capable of Binding Fullerenes with Size-Selective Responses","Inorganic Chemistry","2013","52","","8573","8578","10.1021/ic401685s","","","0.71073","MoKα","","0.2392","0.1819","","","0.4658","0.4952","","","","","","1.706","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335691","12.5011","0.0016","13.0829","0.0017","17.668","0.002","106.619","0.002","95.77","0.002","104.581","0.002","2632.9","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H35 B Cl F24 Ir N2 O2 -","- C52 H35 B Cl F24 Ir N2 O2 -","- C104 H70 B2 Cl2 F48 Ir2 N4 O4 -","2","1","","Joseph DePasquale; Ismael Nieto; Lauren E. Reuther; Corey J. Herbst-Gervasoni; Jared J. Paul; Vadym Mochalin; Matthias Zeller; Christine M. Thomas; Anthony W. Addison; Elizabeth T. Papish","Iridium Dihydroxybipyridine Complexes Show That Ligand Deprotonation Dramatically Speeds Rates of Catalytic Water Oxidation","Inorganic Chemistry","2013","52","","9175","9183","10.1021/ic302448d","","","0.71073","MoKα","","0.023","0.0198","","","0.0457","0.047","","","","","","1.038","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335692","14.595","0.004","12.004","0.004","12.727","0.004","90","","90","","90","","2229.7","1.2","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H27 Cl2 Ir N2 O3 -","- C20.5897 H27 Cl2 Ir N2 O3 -","- C82.3588 H108 Cl8 Ir4 N8 O12 -","4","0.5","","Joseph DePasquale; Ismael Nieto; Lauren E. Reuther; Corey J. Herbst-Gervasoni; Jared J. Paul; Vadym Mochalin; Matthias Zeller; Christine M. Thomas; Anthony W. Addison; Elizabeth T. Papish","Iridium Dihydroxybipyridine Complexes Show That Ligand Deprotonation Dramatically Speeds Rates of Catalytic Water Oxidation","Inorganic Chemistry","2013","52","","9175","9183","10.1021/ic302448d","","","0.71073","MoKα","","0.0175","0.0161","","","0.0394","0.0407","","","","","","1.086","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335693","10.522679","0.000022","10.522679","0.000022","10.522679","0.000022","90","","90","","90","","1165.14","0.004","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ag0.8 Bi0.8333 O6.65 Ta2 -","- Ag0.4 Bi0.416667 O3.25 Ta -","- Ag6.4 Bi6.66667 O52 Ta16 -","16","0.0833333","","Limin Wang; Bingfei Cao; Wei Kang; Mark Hybertsen; Kazuhiko Maeda; Kazunari Domen; Peter G. Khalifah","Design of Medium Band Gap Ag-Bi-Nb-O and Ag-Bi-Ta-O Semiconductors for Driving Direct Water Splitting with Visible Light","Inorganic Chemistry","2013","52","","9192","9205","10.1021/ic400089s","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335694","11.3407","0.0005","21.5502","0.001","17.922","0.0008","90","","92.494","0.001","90","","4375.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","CoL(Ph)K(THF)","","","- C49 H50 Co K N7 O -","- C49 H50 Co K N7 O -","- C196 H200 Co4 K4 N28 O4 -","4","1","","Christopher M. Zall; Laura J. Clouston; Victor G. Young; Keying Ding; Hyun Jung Kim; Danylo Zherebetskyy; Yu-Sheng Chen; Eckhard Bill; Laura Gagliardi; Connie C. Lu","Mixed-Valent Dicobalt and Iron-Cobalt Complexes with High-Spin Configurations and Short Metal-Metal Bonds","Inorganic Chemistry","2013","52","","9216","9228","10.1021/ic400292g","","","0.71073","MoKα","","0.0831","0.0446","","","0.1083","0.1291","","","","","","1.011","","","","has coordinates,has disorder","179459","2020-10-21","18:00:00",""
"4335695","14.9559","0.0019","14.9559","0.0019","29.25","0.004","90","","90","","120","","5666.1","1.3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","FeCoL(Ph)","","","- C45 H42 Co Fe N7 -","- C45 H42 Co Fe N7 -","- C270 H252 Co6 Fe6 N42 -","6","0.333333","","Christopher M. Zall; Laura J. Clouston; Victor G. Young; Keying Ding; Hyun Jung Kim; Danylo Zherebetskyy; Yu-Sheng Chen; Eckhard Bill; Laura Gagliardi; Connie C. Lu","Mixed-Valent Dicobalt and Iron-Cobalt Complexes with High-Spin Configurations and Short Metal-Metal Bonds","Inorganic Chemistry","2013","52","","9216","9228","10.1021/ic400292g","","","0.71073","MoKα","","0.0668","0.038","","","0.0834","0.0957","","","","","","1.011","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335696","20.5683","0.0019","19.1491","0.0018","24.29","0.002","90","","90","","90","","9567","1.5","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CoL(tBu)K","","","- C39 H54 Co K N7 -","- C39 H54 Co K N7 -","- C312 H432 Co8 K8 N56 -","8","1","","Christopher M. Zall; Laura J. Clouston; Victor G. Young; Keying Ding; Hyun Jung Kim; Danylo Zherebetskyy; Yu-Sheng Chen; Eckhard Bill; Laura Gagliardi; Connie C. Lu","Mixed-Valent Dicobalt and Iron-Cobalt Complexes with High-Spin Configurations and Short Metal-Metal Bonds","Inorganic Chemistry","2013","52","","9216","9228","10.1021/ic400292g","","","0.71073","MoKα","","0.0741","0.0554","","","0.1264","0.1324","","","","","","1.069","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335697","14.9368","0.001","14.9368","0.001","29.1993","0.0019","90","","90","","120","","5641.8","0.6","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","Co2[PhNC(Ph)]3-tren","","","- C45 H42 Co2 N7 -","- C45 H42 Co2 N7 -","- C270 H252 Co12 N42 -","6","0.333333","","Christopher M. Zall; Laura J. Clouston; Victor G. Young; Keying Ding; Hyun Jung Kim; Danylo Zherebetskyy; Yu-Sheng Chen; Eckhard Bill; Laura Gagliardi; Connie C. Lu","Mixed-Valent Dicobalt and Iron-Cobalt Complexes with High-Spin Configurations and Short Metal-Metal Bonds","Inorganic Chemistry","2013","52","","9216","9228","10.1021/ic400292g","","","0.71073","MoKα","","0.0655","0.0378","","","0.0965","0.1055","","","","","","0.974","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335698","14.9092","0.0006","14.9092","0.0006","29.191","0.0013","90","","90","","120","","5619.4","0.4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C45 H42 Co1.01 Fe0.99 N7 -","- C45 H42 Co1.011 Fe0.987 N7 -","- C270 H252 Co6.066 Fe5.922 N42 -","6","0.333333","","Christopher M. Zall; Laura J. Clouston; Victor G. Young; Keying Ding; Hyun Jung Kim; Danylo Zherebetskyy; Yu-Sheng Chen; Eckhard Bill; Laura Gagliardi; Connie C. Lu","Mixed-Valent Dicobalt and Iron-Cobalt Complexes with High-Spin Configurations and Short Metal-Metal Bonds","Inorganic Chemistry","2013","52","","9216","9228","10.1021/ic400292g","","","0.4133","synchrotron","","0.0625","0.0377","","","0.0891","0.1006","","","","","","1.013","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335699","8.745","0.008","25.56","0.02","14.522","0.01","90","","124.53","0.04","90","","2674","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 F6 Fe N5 O6 S2 -","- C18 H29 F6 Fe N5 O6 S2 -","- C72 H116 F24 Fe4 N20 O24 S8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.1098","0.0701","","","0.1305","0.145","","","","","","1.042","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335700","18.558","0.011","9.011","0.005","19.218","0.011","90","","118.798","0.009","90","","2816","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 F6 Fe N4 O7 S2 -","- C19 H30 F6 Fe N4 O7 S2 -","- C76 H120 F24 Fe4 N16 O28 S8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.0506","0.0409","","","0.1066","0.1142","","","","","","1.028","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335701","8.55","0.003","13.577","0.005","21.298","0.008","90","","90","","90","","2472.3","1.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 F6 Fe N4 O6 S2 -","- C17 H26 F6 Fe N4 O6 S2 -","- C68 H104 F24 Fe4 N16 O24 S8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.0299","0.0257","","","0.0582","0.0593","","","","","","1.077","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335702","8.965","0.002","25.125","0.006","13.442","0.003","90","","123.739","0.011","90","","2517.8","1","300","2","300","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Cl F6 Fe N4 O6 S2 -","- C16 H23 Cl F6 Fe N4 O6 S2 -","- C64 H92 Cl4 F24 Fe4 N16 O24 S8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.0512","0.0447","","","0.131","0.1355","","","","","","1.057","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335703","12.949","0.003","24.597","0.006","8.91","0.002","90","","96.489","0.004","90","","2819.7","1.1","300","2","300","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C19 H28 F6 Fe N4 O8 S2 -","- C19 H28 F6 Fe N4 O8 S2 -","- C76 H112 F24 Fe4 N16 O32 S8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.058","0.0434","","","0.0998","0.1093","","","","","","0.995","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335704","9.435","0.0008","14.8017","0.0012","17.4272","0.0014","90","","95.722","0.002","90","","2421.7","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 F6 Fe N5 O8 S2 -","- C16 H23 F6 Fe N5 O8 S2 -","- C64 H92 F24 Fe4 N20 O32 S8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.0532","0.0439","","","0.1163","0.1233","","","","","","1.056","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335705","15.926","0.004","9.434","0.002","17.376","0.004","90","","115.519","0.004","90","","2356","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 F7 Fe N4 O6 S2 -","- C16 H23 F7 Fe N4 O6 S2 -","- C64 H92 F28 Fe4 N16 O24 S8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.1133","0.0591","","","0.1498","0.1764","","","","","","1.024","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335706","8.738","0.002","16.228","0.004","20.412","0.006","90","","90","","90","","2894.4","1.3","298","2","298","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl3 F6 Fe N4 O6 S2 -","- C16 H23 Cl F6 Fe N4 O6 S2 -","- C64 H92 Cl4 F24 Fe4 N16 O24 S8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.0605","0.046","","","0.1127","0.1197","","","","","","0.993","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335707","8.8046","0.0014","13.591","0.002","21.92","0.003","90","","90","","90","","2623","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 F6 Fe N4 O6 S2 -","- C18 H28 F6 Fe N4 O6 S2 -","- C72 H112 F24 Fe4 N16 O24 S8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.0254","0.0226","","","0.0554","0.0565","","","","","","1.034","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335708","13.3058","0.0018","12.4573","0.0017","20.633","0.003","90","","100.276","0.002","90","","3365.2","0.8","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 F12 Fe N7 Sb2 -","- C21 H35 F12 Fe N7 Sb2 -","- C84 H140 F48 Fe4 N28 Sb8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.1087","0.0513","","","0.1219","0.1494","","","","","","1.006","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335709","13.0482","0.0017","12.2015","0.0016","19.875","0.003","90","","101.023","0.002","90","","3105.9","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H35 F12 Fe N7 Sb2 -","- C21 H35 F12 Fe N7 Sb2 -","- C84 H140 F48 Fe4 N28 Sb8 -","4","1","","Irene Prat; Anna Company; Teresa Corona; Teodor Parella; Xavi Ribas; Miquel Costas","Assessing the Impact of Electronic and Steric Tuning of the Ligand in the Spin State and Catalytic Oxidation Ability of the FeII(Pytacn) Family of Complexes","Inorganic Chemistry","2013","52","","9229","9244","10.1021/ic4004033","","","0.71073","MoKα","","0.0799","0.0634","","","0.1204","0.1253","","","","","","1.246","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335710","19.5087","0.0004","19.8696","0.0004","24.1848","0.0004","68.289","0.002","68.426","0.002","63.007","0.002","7531.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- Ge3 H82 K9 Li11 Mn8 O155 W30 -","- Ge3 K6.8 Li7 Mn8 O154.8 W30 -","- Ge6 K13.6 Li14 Mn16 O309.6 W60 -","2","1","","Pedro I. Molina; Haralampos N. Miras; De-Liang Long; Leroy Cronin","Exploring the Assembly of Supramolecular Polyoxometalate Triangular Morphologies with Johnson Solid Cores: [(MnII(H2O)3)2(K@{α-GeW10MnII2O38}3)]19-","Inorganic Chemistry","2013","52","","9284","9289","10.1021/ic400542x","","","0.71073","MoKα","","0.0714","0.05","","","0.1139","0.1247","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335711","29.11","0.005","13.997","0.003","11.777","0.002","90","","111.342","0.006","90","","4469.5","1.5","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cl2 N2 O4 Ru -","- C15 H14 Cl2 N2 O4 Ru -","- C120 H112 Cl16 N16 O32 Ru8 -","8","1","","Caroline Bischof; Tanmaya Joshi; Aakanksha Dimri; Leone Spiccia; Ulrich Schatzschneider","Synthesis, Spectroscopic Properties, and Photoinduced CO-Release Studies of Functionalized Ruthenium(II) Polypyridyl Complexes: Versatile Building Blocks for Development of CORM-Peptide Nucleic Acid Bioconjugates","Inorganic Chemistry","2013","52","","9297","9308","10.1021/ic400746n","","","0.71073","MoKα","","0.0964","0.0715","","","0.1852","0.2187","","","","","","1.096","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335712","24.0892","0.001","40.0165","0.0016","7.9746","0.0003","90","","90","","90","","7687.2","0.5","173","2","173","2","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C163 H48 Ag3 B2 F8 N24 O32 -","- C163 H48 Ag3 B2 F8 N24 O32 -","- C326 H96 Ag6 B4 F16 N48 O64 -","2","0.5","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.0863","0.0822","","","0.2319","0.2364","","","","","","1.144","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335713","9.6503","0.0006","12.7719","0.0006","13.0096","0.0007","102.88","0.001","93.456","0.001","107.448","0.001","1477.21","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H18 I2 N6 O6 Zn -","- C30 H18 I2 N6 O6 Zn -","- C60 H36 I4 N12 O12 Zn2 -","2","1","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.0243","0.0211","","","0.0537","0.0553","","","","","","1.07","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335714","15.3062","0.0017","18.444","0.002","13.3803","0.0015","90","","115.307","0.001","90","","3414.8","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 I2 N6 O8 Zn -","- C32 H28 I2 N6 O8 Zn -","- C128 H112 I8 N24 O32 Zn4 -","4","0.5","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.0377","0.036","","","0.1607","0.175","","","","","","0.87","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335715","24.111","0.002","39.9","0.004","7.9191","0.0008","90","","90","","90","","7618.4","1.3","296","2","296","2","","","","","","","","7","P b a 2","P 2 -2ab","32","","","","- C120 H80 Ag3 B3 F12 N26 O26 -","- C120 H74 Ag3 B3 F12 N26 O26 -","- C240 H148 Ag6 B6 F24 N52 O52 -","2","0.5","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.1135","0.113","","","0.2958","0.2961","","","","","","1.221","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335716","29.2291","0.0011","20.7698","0.0008","9.1567","0.0004","90","","98.336","0.001","90","","5500.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H33 Ag2 N14 O18 -","- C57 H33 Ag2 N14 O18 -","- C228 H132 Ag8 N56 O72 -","4","1","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.0314","0.0279","","","0.068","0.0708","","","","","","1.05","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335717","13.646","0.002","10.0009","0.0017","20.571","0.003","90","","104.816","0.002","90","","2714","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 Ag N8 O10 -","- C27 H19 Ag N8 O10 -","- C108 H76 Ag4 N32 O40 -","4","1","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.0762","0.0732","","","0.1965","0.1986","","","","","","1.157","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335718","14.2224","0.0007","19.3544","0.0009","27.9524","0.0011","90","","110.187","0.002","90","","7221.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H48 Cu2 N17 O24 -","- C74 H48 Cu2 N17 O24 -","- C296 H192 Cu8 N68 O96 -","4","1","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.0651","0.0487","","","0.1187","0.1331","","","","","","1.026","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335719","8.9664","0.0003","12.5605","0.0005","13.3868","0.0005","99.718","0.001","95.044","0.001","101.399","0.001","1445.19","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 Cu N8 O12 -","- C30 H18 Cu N8 O12 -","- C60 H36 Cu2 N16 O24 -","2","1","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.0392","0.0314","","","0.0786","0.0834","","","","","","1.029","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335720","22.2075","0.0006","12.3261","0.0003","12.2305","0.0003","90","","90","","90","","3347.88","0.15","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H12 Cu N8 O15 -","- C35 H12 Cu N8 O15 -","- C140 H48 Cu4 N32 O60 -","4","0.5","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.0475","0.0421","","","0.1199","0.1269","","","","","","1.056","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335721","14.4555","0.0003","18.4604","0.0004","13.0973","0.0005","90","","112.328","0.001","90","","3233.03","0.16","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 Cl2 Cu N6 O8 -","- C32 H28 Cl2 Cu N6 O8 -","- C128 H112 Cl8 Cu4 N24 O32 -","4","0.5","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.0475","0.0421","","","0.1116","0.1169","","","","","","1.06","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335722","8.858","0.0002","12.6024","0.0003","13.4956","0.0004","100.8","0.001","93.5","0.001","100.603","0.001","1447.45","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 N8 O12 Zn -","- C30 H18 N8 O12 Zn -","- C60 H36 N16 O24 Zn2 -","2","1","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.0255","0.0241","","","0.0643","0.0653","","","","","","1.054","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335723","14.5638","0.0016","18.863","0.002","13.353","0.0014","90","","113.355","0.001","90","","3367.7","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N12 O14 Zn -","- C28 H26 N12 O14 Zn -","- C112 H104 N48 O56 Zn4 -","4","0.5","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.0608","0.0593","","","0.1582","0.1596","","","","","","1.062","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335724","12.3325","0.0006","13.9068","0.0007","14.5927","0.0008","110.871","0.002","90.663","0.002","95.055","0.002","2326.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H12 N6 O7 -","- C25 H12 N6 O7 -","- C100 H48 N24 O28 -","4","2","","Wen-Jing Hu; Long-Qing Liu; Ming-Liang Ma; Xiao-Li Zhao; Yahu A. Liu; Xian-Qiang Mi; Biao Jiang; Ke Wen","A Trigonal Prismatic Ligand in the Metal-Mediated Self-Assembly of One- and Two-Dimensional Metallosupramolecular Polymers","Inorganic Chemistry","2013","52","","9309","9319","10.1021/ic400751n","","","0.71073","MoKα","","0.0759","0.0593","","","0.1799","0.2018","","","","","","1.046","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335725","25.7501","0.0009","8.7686","0.0003","14.9082","0.0012","90","","113.157","0.017","90","","3094.9","0.5","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 N4 O4 -","- C34 H46 N4 O4 -","- C136 H184 N16 O16 -","4","0.5","","Ajay Pal Singh Pannu; James R. Stevens; Paul G. Plieger","Aryl-Linked Salicylaldoxime-Based Copper(II) Helicates and ""Boxes"": Synthesis, X-ray Analysis, and Anion Influence on Complex Structure","Inorganic Chemistry","2013","52","","9327","9337","10.1021/ic400829d","","","1.54178","CuKα","","0.1367","0.0799","","","0.2075","0.2603","","","","","","1.03","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335726","14.5994","0.0012","19.6925","0.0017","27.748","0.002","99.607","0.007","96.215","0.007","106.635","0.007","7432.9","1.1","161","2","161","2","","","","","","","","8","P -1","-P 1","2","","","","- C210 H288 B6 Br6 Cu6 F24 N24 O26 -","- C210 H288 B6 Br6 Cu6 F24 N24 O26 -","- C210 H288 B6 Br6 Cu6 F24 N24 O26 -","1","0.5","","Ajay Pal Singh Pannu; James R. Stevens; Paul G. Plieger","Aryl-Linked Salicylaldoxime-Based Copper(II) Helicates and ""Boxes"": Synthesis, X-ray Analysis, and Anion Influence on Complex Structure","Inorganic Chemistry","2013","52","","9327","9337","10.1021/ic400829d","","","1.54178","CuKα","","0.2414","0.1108","","","0.2732","0.3336","","","","","","0.874","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335727","22.7715","0.0016","19.5276","0.0004","19.8252","0.0004","90","","93.245","0.007","90","","8801.6","0.7","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H98 Br4 Cu2 N8 O10 -","- C70 H98 Br4 Cu2 N8 O10 -","- C280 H392 Br16 Cu8 N32 O40 -","4","1","","Ajay Pal Singh Pannu; James R. Stevens; Paul G. Plieger","Aryl-Linked Salicylaldoxime-Based Copper(II) Helicates and ""Boxes"": Synthesis, X-ray Analysis, and Anion Influence on Complex Structure","Inorganic Chemistry","2013","52","","9327","9337","10.1021/ic400829d","","","1.54178","CuKα","","0.076","0.0563","","","0.1581","0.1789","","","","","","1.114","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335728","11.4408","0.0019","20.2715","0.0004","19.0446","0.0013","90","","106.297","0.01","90","","4239.4","0.8","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C68 H92 Cu2 N12 O20 -","- C68 H92 Cu2 N12 O20 -","- C136 H184 Cu4 N24 O40 -","2","1","","Ajay Pal Singh Pannu; James R. Stevens; Paul G. Plieger","Aryl-Linked Salicylaldoxime-Based Copper(II) Helicates and ""Boxes"": Synthesis, X-ray Analysis, and Anion Influence on Complex Structure","Inorganic Chemistry","2013","52","","9327","9337","10.1021/ic400829d","","","1.54178","Copper","","0.0971","0.0724","","","0.1867","0.2287","","","","","","1.097","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335729","11.5153","0.0014","13.7564","0.0017","14.434","0.002","78.74","0.006","69.547","0.005","68.645","0.005","1989.2","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H58 Cu N4 O5 -","- C40 H58 Cu N4 O5 -","- C80 H116 Cu2 N8 O10 -","2","1","","Ajay Pal Singh Pannu; James R. Stevens; Paul G. Plieger","Aryl-Linked Salicylaldoxime-Based Copper(II) Helicates and ""Boxes"": Synthesis, X-ray Analysis, and Anion Influence on Complex Structure","Inorganic Chemistry","2013","52","","9327","9337","10.1021/ic400829d","","","1.54178","CuKα","","0.0891","0.053","","","0.1358","0.1585","","","","","","1.142","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335730","25.7597","0.0005","17.3201","0.0003","15.36","0.0004","90","","93.3604","0.0008","90","","6841.2","0.3","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 Cl2 Mn N9 O6 -","- C38 H22 Cl2 Mn N9 O6 -","- C304 H176 Cl16 Mn8 N72 O48 -","8","1","","Pinky Singh; Gargi Dutta; Israel Goldberg; Atif Mahammed; Zeev Gross","Expected and Unexpected Transformations of Manganese(III) Tris(4-nitrophenyl)corrole","Inorganic Chemistry","2013","52","","9349","9355","10.1021/ic400918d","","","0.71073","MoKα","","0.1039","0.0492","","","0.0993","0.1175","","","","","","0.944","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335731","29.5335","0.0013","29.5335","0.0013","5.5624","0.0003","90","","90","","90","","4851.7","0.4","110","2","110","2","","","","","","","","4","I 4","I 4","79","","","","- C18 H3 Br F26 -","- C18 H3 Br F26 -","- C144 H24 Br8 F208 -","8","1","","Subrata K. Ghosh; Ann Sullivan Ojeda; Juan Guerrero-Leal; Nattamai Bhuvanesh; John A. Gladysz","New Media for Classical Coordination Chemistry: Phase Transfer of Werner and Related Polycations into Highly Nonpolar Fluorous Solvents","Inorganic Chemistry","2013","52","","9369","9378","10.1021/ic400945u","","","1.54178","CuKα","","0.0198","0.019","","","0.0466","0.047","","","","","","1.051","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335732","6.322","0.0007","6.322","0.0007","6.322","0.0007","90","","90","","90","","252.68","0.05","293","2","293","2","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","","","- Co2.61 Zn2.39 -","- Co2.57 Zn2.43 -","- Co10.28 Zn9.72 -","4","0.166667","","Weiwei Xie; Srinivasa Thimmaiah; Jagat Lamsal; Jing Liu; Thomas W. Heitmann; Dante Quirinale; Alan I. Goldman; Vitalij Pecharsky; Gordon J. Miller","β-Mn-Type Co8+xZn12-x as a Defect Cubic Laves Phase: Site Preferences, Magnetism, and Electronic Structure","Inorganic Chemistry","2013","52","","9399","9408","10.1021/ic4009653","","","0.71073","MoKα","","0.017","0.0165","","","0.0336","0.0337","","","","","","1.285","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335733","6.3358","0.0014","6.3358","0.0014","6.3358","0.0014","90","","90","","90","","254.33","0.1","293","2","293","2","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","","","- Co2.5 Zn2.5 -","- Co2.51 Zn2.49 -","- Co10.04 Zn9.96 -","4","0.166667","","Weiwei Xie; Srinivasa Thimmaiah; Jagat Lamsal; Jing Liu; Thomas W. Heitmann; Dante Quirinale; Alan I. Goldman; Vitalij Pecharsky; Gordon J. Miller","β-Mn-Type Co8+xZn12-x as a Defect Cubic Laves Phase: Site Preferences, Magnetism, and Electronic Structure","Inorganic Chemistry","2013","52","","9399","9408","10.1021/ic4009653","","","0.71073","MoKα","","0.0167","0.0163","","","0.028","0.028","","","","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335734","6.345","0.0007","6.345","0.0007","6.345","0.0007","90","","90","","90","","255.44","0.05","293","2","293","2","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","","","- Co2.42 Zn2.58 -","- Co2.48 Zn2.52 -","- Co9.92 Zn10.08 -","4","0.166667","","Weiwei Xie; Srinivasa Thimmaiah; Jagat Lamsal; Jing Liu; Thomas W. Heitmann; Dante Quirinale; Alan I. Goldman; Vitalij Pecharsky; Gordon J. Miller","β-Mn-Type Co8+xZn12-x as a Defect Cubic Laves Phase: Site Preferences, Magnetism, and Electronic Structure","Inorganic Chemistry","2013","52","","9399","9408","10.1021/ic4009653","","","0.71073","MoKα","","0.0115","0.0115","","","0.0278","0.0278","","","","","","1.358","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335735","6.3555","0.0007","6.3555","0.0007","6.3555","0.0007","90","","90","","90","","256.71","0.05","293","2","293","2","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","","","- Co2.37 Zn2.63 -","- Co2.42 Zn2.58 -","- Co9.68 Zn10.32 -","4","0.166667","","Weiwei Xie; Srinivasa Thimmaiah; Jagat Lamsal; Jing Liu; Thomas W. Heitmann; Dante Quirinale; Alan I. Goldman; Vitalij Pecharsky; Gordon J. Miller","β-Mn-Type Co8+xZn12-x as a Defect Cubic Laves Phase: Site Preferences, Magnetism, and Electronic Structure","Inorganic Chemistry","2013","52","","9399","9408","10.1021/ic4009653","","","0.71073","MoKα","","0.0146","0.0146","","","0.029","0.029","","","","","","1.321","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335736","14.886","0.002","16.062","0.003","19.861","0.004","110.793","0.007","100.552","0.007","101.118","0.007","4189.1","1.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C164 H244 Cl2 N8 O9 Ti4 -","- C164 H244 Cl2 N8 O9 Ti4 -","- C164 H244 Cl2 N8 O9 Ti4 -","1","0.5","","Sónia Barroso; Filipe Madeira; Maria José Calhorda; M. João Ferreira; M. Teresa Duarte; Ana M. Martins","Toward the Understanding of Radical Reactions: Experimental and Computational Studies of Titanium(III) Diamine Bis(phenolate) Complexes","Inorganic Chemistry","2013","52","","9427","9439","10.1021/ic401008y","","x-ray","0.71073","MoKα","","0.1287","0.0743","","","0.1916","0.215","","","","","","0.965","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335737","11.505","0.003","13.182","0.003","14.401","0.004","110.813","0.009","100.918","0.008","96.635","0.008","1964.4","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H128 Cl2 N4 O7 Ti2 -","- C76 H128 Cl2 N4 O7 Ti2 -","- C76 H128 Cl2 N4 O7 Ti2 -","1","0.5","","Sónia Barroso; Filipe Madeira; Maria José Calhorda; M. João Ferreira; M. Teresa Duarte; Ana M. Martins","Toward the Understanding of Radical Reactions: Experimental and Computational Studies of Titanium(III) Diamine Bis(phenolate) Complexes","Inorganic Chemistry","2013","52","","9427","9439","10.1021/ic401008y","","x-ray","0.71073","MoKα","","0.0681","0.0458","","","0.1108","0.1194","","","","","","1.053","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335738","11.672","0.0013","25.66","0.003","16.962","0.0018","90","","93.856","0.005","90","","5068.7","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H80 Cl N3 O3 Ti -","- C50 H80 Cl N3 O3 Ti -","- C200 H320 Cl4 N12 O12 Ti4 -","4","1","","Sónia Barroso; Filipe Madeira; Maria José Calhorda; M. João Ferreira; M. Teresa Duarte; Ana M. Martins","Toward the Understanding of Radical Reactions: Experimental and Computational Studies of Titanium(III) Diamine Bis(phenolate) Complexes","Inorganic Chemistry","2013","52","","9427","9439","10.1021/ic401008y","","x-ray","0.71073","MoKα","","0.1349","0.0963","","","0.2234","0.2381","","","","","","1.113","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335739","11.534","0.0009","15.405","0.0013","20.717","0.002","90","","94.269","0.005","90","","3670.8","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H118 Cl2 F2 N4 O5 Ti2 -","- C72 H118 Cl2 F2 N4 O5 Ti2 -","- C144 H236 Cl4 F4 N8 O10 Ti4 -","2","0.5","","Sónia Barroso; Filipe Madeira; Maria José Calhorda; M. João Ferreira; M. Teresa Duarte; Ana M. Martins","Toward the Understanding of Radical Reactions: Experimental and Computational Studies of Titanium(III) Diamine Bis(phenolate) Complexes","Inorganic Chemistry","2013","52","","9427","9439","10.1021/ic401008y","","x-ray","0.71073","MoKα","","0.0946","0.0485","","","0.1013","0.113","","","","","","1.019","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335740","24.7045","0.0009","24.7045","0.0009","30.7712","0.0016","90","","90","","90","","18780","1.4","150","2","150","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C34 H54 Cl2 N2 O2 Ti -","- C34 H54 Cl2 N2 O2 Ti -","- C544 H864 Cl32 N32 O32 Ti16 -","16","1","","Sónia Barroso; Filipe Madeira; Maria José Calhorda; M. João Ferreira; M. Teresa Duarte; Ana M. Martins","Toward the Understanding of Radical Reactions: Experimental and Computational Studies of Titanium(III) Diamine Bis(phenolate) Complexes","Inorganic Chemistry","2013","52","","9427","9439","10.1021/ic401008y","","x-ray","0.71073","MoKα","","0.0728","0.0591","","","0.1584","0.1649","","","","","","1.072","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335741","35.585","0.004","16.471","0.002","26.387","0.003","90","","107.758","0.006","90","","14729","3","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C72 H118 Cl2 N4 O6 Ti2 -","- C72 H118 Cl2 N4 O6 Ti2 -","- C576 H944 Cl16 N32 O48 Ti16 -","8","2","","Sónia Barroso; Filipe Madeira; Maria José Calhorda; M. João Ferreira; M. Teresa Duarte; Ana M. Martins","Toward the Understanding of Radical Reactions: Experimental and Computational Studies of Titanium(III) Diamine Bis(phenolate) Complexes","Inorganic Chemistry","2013","52","","9427","9439","10.1021/ic401008y","","x-ray","0.71073","MoKα","","0.1353","0.075","","","0.1904","0.2152","","","","","","1.077","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335742","35.669","0.0006","35.669","0.0006","9.9695","0.0005","90","","90","","120","","10984.6","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H50 B2 Mg N6 -","- C50 H50 B2 Mg N6 -","- C450 H450 B18 Mg9 N54 -","9","0.5","","Chengzhong Cui; Patrick R. Shipman; Roger A. Lalancette; Frieder Jäkle","Tris(2-pyridylborate) (Tpyb) Metal Complexes: Synthesis, Characterization, and Formation of Extrinsically Porous Materials with Large Cylindrical Channels","Inorganic Chemistry","2013","52","","9440","9448","10.1021/ic4010664","","","1.54178","CuKα","","0.048","0.038","","","0.097","0.102","","","","","","1.06","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335743","35.6133","0.0004","35.6133","0.0004","10.0346","0.0001","90","","90","","120","","11021.9","0.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H50 B2 Mn N6 -","- C50 H50 B2 Mn N6 -","- C450 H450 B18 Mn9 N54 -","9","0.5","","Chengzhong Cui; Patrick R. Shipman; Roger A. Lalancette; Frieder Jäkle","Tris(2-pyridylborate) (Tpyb) Metal Complexes: Synthesis, Characterization, and Formation of Extrinsically Porous Materials with Large Cylindrical Channels","Inorganic Chemistry","2013","52","","9440","9448","10.1021/ic4010664","","","1.54178","CuKα","","0.068","0.05","","","0.137","0.144","","","","","","1.09","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335744","35.4883","0.0013","35.4883","0.0013","9.8652","0.0004","90","","90","","120","","10759.9","0.7","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50.5 H51 B2 Cl Fe N6 -","- C50.5048 H51.0096 B2 Cl1.0096 Fe N6 -","- C454.543 H459.086 B18 Cl9.0864 Fe9 N54 -","9","0.5","","Chengzhong Cui; Patrick R. Shipman; Roger A. Lalancette; Frieder Jäkle","Tris(2-pyridylborate) (Tpyb) Metal Complexes: Synthesis, Characterization, and Formation of Extrinsically Porous Materials with Large Cylindrical Channels","Inorganic Chemistry","2013","52","","9440","9448","10.1021/ic4010664","","","1.54178","CuKα","","0.035","0.032","","","0.085","0.086","","","","","","1.08","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335745","35.4667","0.0012","35.4667","0.0012","9.8384","0.0005","90","","90","","120","","10717.6","0.7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C50 H50 B2 Fe N6 -","- C50 H50 B2 Fe N6 -","- C450 H450 B18 Fe9 N54 -","9","0.5","","Chengzhong Cui; Patrick R. Shipman; Roger A. Lalancette; Frieder Jäkle","Tris(2-pyridylborate) (Tpyb) Metal Complexes: Synthesis, Characterization, and Formation of Extrinsically Porous Materials with Large Cylindrical Channels","Inorganic Chemistry","2013","52","","9440","9448","10.1021/ic4010664","","","1.54178","CuKα","","0.074","0.047","","","0.104","0.111","","","","","","0.98","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335746","24.06815","0.00017","10.86063","0.00008","24.69614","0.00019","90","","93.6407","0.0007","90","","6442.43","0.08","110","2","110","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 F12 N5 O P2 Ru S -","- C28 H27 F12 N5 O P2 Ru S -","- C224 H216 F96 N40 O8 P16 Ru8 S8 -","8","1","","Azadeh Bahreman; Bart Limburg; Maxime A. Siegler; Elisabeth Bouwman; Sylvestre Bonnet","Spontaneous Formation in the Dark, and Visible Light-Induced Cleavage, of a Ru-S Bond in Water: A Thermodynamic and Kinetic Study","Inorganic Chemistry","2013","52","","9456","9469","10.1021/ic401105v","","","0.71073","MoKα","","0.0226","0.0207","","","0.0517","0.0525","","","","","","1.051","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335747","26.99","0.003","10.367","0.001","13.2831","0.0013","90","","92.028","0.001","90","","3714.4","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Mo N2 O10 -","- C40 H44 Mo N2 O10 -","- C160 H176 Mo4 N8 O40 -","4","0.5","","B. Zhang; S. Z. Du; X. M. Lu; G. Wang; J. Fen","Mo- and W-Based Organic Nanostructures Prepared from Bulk Crystal Isomorphs Consisted of [(CH3CH2)3NH)]2[MO2(C14H6O4)2] (M = Mo, W)","Inorganic Chemistry","2013","52","","9470","9478","10.1021/ic401125e","","","0.71073","","","0.066","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335748","27.215","0.003","10.211","0.001","13.5221","0.0012","90","","93.233","0.001","90","","3751.7","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 N2 O10 W -","- C40 H44 N2 O10 W -","- C160 H176 N8 O40 W4 -","4","0.5","","B. Zhang; S. Z. Du; X. M. Lu; G. Wang; J. Fen","Mo- and W-Based Organic Nanostructures Prepared from Bulk Crystal Isomorphs Consisted of [(CH3CH2)3NH)]2[MO2(C14H6O4)2] (M = Mo, W)","Inorganic Chemistry","2013","52","","9470","9478","10.1021/ic401125e","","","0.71073","MoKα","","0.0486","0.0404","","","0.0987","0.1032","","","","","","1.349","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335749","16.6973","0.0008","22.798","0.0011","23.5002","0.0012","86.208","0.001","78.449","0.001","89.751","0.001","8745","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H87 Ge3 N3 P6 Si3 -","- C84 H87 Ge3 N3 P6 Si3 -","- C336 H348 Ge12 N12 P24 Si12 -","4","2","","Wing-Por Leung; Wang-Kin Chiu; Thomas C. W. Mak","Synthesis and Structural Characterization of Base-Stabilized Oligomeric Heterovinylidenes","Inorganic Chemistry","2013","52","","9479","9486","10.1021/ic4011345","","","0.71073","MoKα","","0.1097","0.0608","","","0.1453","0.1623","","","","","","0.899","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335750","10.408","0.0003","12.8655","0.0004","20.8788","0.0007","90","","101.642","0.001","90","","2738.24","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 N2 P4 Si2 Sn2 -","- C56 H58 N2 P4 Si2 Sn2 -","- C112 H116 N4 P8 Si4 Sn4 -","2","0.5","","Wing-Por Leung; Wang-Kin Chiu; Thomas C. W. Mak","Synthesis and Structural Characterization of Base-Stabilized Oligomeric Heterovinylidenes","Inorganic Chemistry","2013","52","","9479","9486","10.1021/ic4011345","","","0.71073","MoKα","","0.0439","0.0275","","","0.0613","0.0687","","","","","","1.023","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335751","10.7296","0.0019","10.88","0.002","16.27","0.003","95.857","0.004","100.286","0.003","96.741","0.003","1841.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H46 Li N O2 P2 Si -","- C36 H46 Li N O2 P2 Si -","- C72 H92 Li2 N2 O4 P4 Si2 -","2","1","","Wing-Por Leung; Wang-Kin Chiu; Thomas C. W. Mak","Synthesis and Structural Characterization of Base-Stabilized Oligomeric Heterovinylidenes","Inorganic Chemistry","2013","52","","9479","9486","10.1021/ic4011345","","","0.71073","MoKα","","0.2043","0.0845","","","0.2129","0.3062","","","","","","0.989","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335752","22.6265","0.0013","12.372","0.0007","25.173","0.0015","90","","108.457","0.001","90","","6684.3","0.7","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H58 Fe N2 O4 P4 Si2 Sn2 -","- C60 H58 Fe N2 O4 P4 Si2 Sn2 -","- C240 H232 Fe4 N8 O16 P16 Si8 Sn8 -","4","1","","Wing-Por Leung; Wang-Kin Chiu; Thomas C. W. Mak","Synthesis and Structural Characterization of Base-Stabilized Oligomeric Heterovinylidenes","Inorganic Chemistry","2013","52","","9479","9486","10.1021/ic4011345","","","0.71073","MoKα","","0.0712","0.0603","","","0.1609","0.1721","","","","","","1.042","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335753","16.6217","0.0006","10.2529","0.0003","10.4232","0.0003","90","","101.1","0.001","90","","1743.1","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N O10 U2 -","- C14 H8 N O10 U2 -","- C56 H32 N4 O40 U8 -","4","1","","Paula M. Cantos; Laurent J. Jouffret; Richard E. Wilson; Peter C. Burns; Christopher L. Cahill","Series of Uranyl-4,4'-biphenyldicarboxylates and an Occurrence of a Cation-Cation Interaction: Hydrothermal Synthesis and in Situ Raman Studies","Inorganic Chemistry","2013","52","","9487","9495","10.1021/ic401143g","","","0.71073","MoKα","","0.0442","0.0323","","","0.0713","0.0754","","","","","","1.067","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335754","31.061","0.009","15.409","0.004","13.956","0.004","90","","115.612","0.004","90","","6023","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 N O14 U2 -","- C28 H16 N O14 U2 -","- C224 H128 N8 O112 U16 -","8","1","","Paula M. Cantos; Laurent J. Jouffret; Richard E. Wilson; Peter C. Burns; Christopher L. Cahill","Series of Uranyl-4,4'-biphenyldicarboxylates and an Occurrence of a Cation-Cation Interaction: Hydrothermal Synthesis and in Situ Raman Studies","Inorganic Chemistry","2013","52","","9487","9495","10.1021/ic401143g","","","0.71073","MoKα","","0.0567","0.0363","","","0.075","0.0828","","","","","","1.021","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335755","36.8912","0.0007","36.8912","0.0007","24.7083","0.0017","90","","90","","90","","33627","2","123","2","123","2","","","","","","","","5","I 41/a c d","-I 4bd 2c","142","","","","- C310 H53 Fe5 In N4 -","- C310 H53 Fe5 In N4 -","- C2480 H424 Fe40 In8 N32 -","8","","","Samantha J. Dammer; Pavlo V. Solntsev; Jared R. Sabin; Victor N. Nemykin","Synthesis, Characterization, and Electron-Transfer Processes in Indium Ferrocenyl-Containing Porphyrins and Their Fullerene Adducts","Inorganic Chemistry","2013","52","","9496","9510","10.1021/ic401163y","","","0.71075","MoKα","","0.1197","0.1134","","","0.3777","0.3848","","","","","","1.905","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335756","11.2415","0.0003","15.3866","0.0003","16.2741","0.0011","82.613","0.006","81.185","0.006","76.854","0.005","2695.9","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C65.9 H50.75 Cl Fe4 In N4 -","- C65.9073 H50.7512 Cl Fe4 In N4 -","- C131.815 H101.502 Cl2 Fe8 In2 N8 -","2","1","","Samantha J. Dammer; Pavlo V. Solntsev; Jared R. Sabin; Victor N. Nemykin","Synthesis, Characterization, and Electron-Transfer Processes in Indium Ferrocenyl-Containing Porphyrins and Their Fullerene Adducts","Inorganic Chemistry","2013","52","","9496","9510","10.1021/ic401163y","","","0.71075","MoKα","","0.0436","0.0391","","","0.0966","0.0986","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335757","13.7094","0.0006","14.5527","0.0009","15.818","0.0011","69.953","0.005","76.118","0.005","63.423","0.005","2637.3","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H53 Fe5 In N4 -","- C70 H53 Fe5 In N4 -","- C140 H106 Fe10 In2 N8 -","2","1","","Samantha J. Dammer; Pavlo V. Solntsev; Jared R. Sabin; Victor N. Nemykin","Synthesis, Characterization, and Electron-Transfer Processes in Indium Ferrocenyl-Containing Porphyrins and Their Fullerene Adducts","Inorganic Chemistry","2013","52","","9496","9510","10.1021/ic401163y","","","0.71073","MoKα","","0.081","0.0549","","","0.1274","0.1435","","","","","","1.01","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335758","8.9","0.0004","17.8376","0.0007","16.4923","0.0006","90","","95.928","0.001","90","","2604.23","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 F12 N4 Ni O -","- C26 H18 F12 N4 Ni O -","- C104 H72 F48 N16 Ni4 O4 -","4","1","","Nikolay P. Tsvetkov; Chun-Hsing Chen; José G. Andino; Richard L. Lord; Maren Pink; René W. Buell; Kenneth G. Caulton","Synthesis and Oxidative Reactivity of 2,2'-Pyridylpyrrolide Complexes of Ni(II)","Inorganic Chemistry","2013","52","","9511","9521","10.1021/ic4011746","","","0.71073","MoKα","","0.0362","0.0286","","","0.0682","0.0718","","","","","","1.042","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4335759","9.0789","0.0004","11.1534","0.0005","18.2342","0.0008","99.493","0.001","102.121","0.001","105.618","0.001","1689.82","0.13","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H21 Cl F12 N6 Ni O2 -","- C32.5 H21 Cl F12 N6 Ni O2 -","- C65 H42 Cl2 F24 N12 Ni2 O4 -","2","1","","Nikolay P. Tsvetkov; Chun-Hsing Chen; José G. Andino; Richard L. Lord; Maren Pink; René W. Buell; Kenneth G. Caulton","Synthesis and Oxidative Reactivity of 2,2'-Pyridylpyrrolide Complexes of Ni(II)","Inorganic Chemistry","2013","52","","9511","9521","10.1021/ic4011746","","","0.71073","MoKα","","0.0412","0.0397","","0.1099","0.1051","0.1099","","","","","","0.9924","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335760","11.1698","0.0008","21.7745","0.0016","19.0954","0.0014","90","","91.473","0.001","90","","4642.8","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H22 F24 N8 Ni2 O -","- C44 H22 F24 N8 Ni2 O -","- C176 H88 F96 N32 Ni8 O4 -","4","1","","Nikolay P. Tsvetkov; Chun-Hsing Chen; José G. Andino; Richard L. Lord; Maren Pink; René W. Buell; Kenneth G. Caulton","Synthesis and Oxidative Reactivity of 2,2'-Pyridylpyrrolide Complexes of Ni(II)","Inorganic Chemistry","2013","52","","9511","9521","10.1021/ic4011746","","","0.71073","MoKα","","0.1015","0.0661","","0.1974","0.175","0.1974","","","","","","0.9567","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335761","10.1424","0.0011","13.8621","0.0014","10.6833","0.0011","90","","111.838","0.002","90","","1394.2","0.3","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H10 Br4 F12 N4 Ni -","- C22 H10 Br4 F12 N4 Ni -","- C44 H20 Br8 F24 N8 Ni2 -","2","1","","Nikolay P. Tsvetkov; Chun-Hsing Chen; José G. Andino; Richard L. Lord; Maren Pink; René W. Buell; Kenneth G. Caulton","Synthesis and Oxidative Reactivity of 2,2'-Pyridylpyrrolide Complexes of Ni(II)","Inorganic Chemistry","2013","52","","9511","9521","10.1021/ic4011746","","","0.71073","MoKα","","0.0613","0.0451","","0.1091","0.1044","0.1091","","","","","","1.0001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335762","8.903","0.002","16.681","0.003","18.058","0.003","90","","90","","90","","2681.8","0.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H23 N3 -","- C14 H23 N3 -","- C112 H184 N24 -","8","1","","Christian Maaß; Diego M. Andrada; Ricardo A. Mata; Regine Herbst-Irmer; Dietmar Stalke","Effects of Metal Coordination on the π-System of the 2,5-Bis-{(pyrrolidino)-methyl}-pyrrole Pincer Ligand","Inorganic Chemistry","2013","52","","9539","9548","10.1021/ic401192x","","","0.71073","MoKα","","0.0503","0.0426","","","0.1207","0.1283","","","","","","1.102","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335763","21.807","0.004","21.807","0.004","6.392","0.003","90","","90","","90","","3039.7","1.6","100","2","105","2","","","","","","","","5","I -4","I -4","82","","","","- C14 H22 Cl Ge N3 -","- C14 H22 Cl Ge N3 -","- C112 H176 Cl8 Ge8 N24 -","8","1","","Christian Maaß; Diego M. Andrada; Ricardo A. Mata; Regine Herbst-Irmer; Dietmar Stalke","Effects of Metal Coordination on the π-System of the 2,5-Bis-{(pyrrolidino)-methyl}-pyrrole Pincer Ligand","Inorganic Chemistry","2013","52","","9539","9548","10.1021/ic401192x","","","0.71073","MoKα","","0.02","0.0176","","","0.0414","0.0422","","","","","","1.043","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335764","10.05","0.002","14.313","0.003","10.965","0.002","90","","94.38","0.02","90","","1572.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl N3 Pb -","- C14 H22 Cl N3 Pb -","- C56 H88 Cl4 N12 Pb4 -","4","1","","Christian Maaß; Diego M. Andrada; Ricardo A. Mata; Regine Herbst-Irmer; Dietmar Stalke","Effects of Metal Coordination on the π-System of the 2,5-Bis-{(pyrrolidino)-methyl}-pyrrole Pincer Ligand","Inorganic Chemistry","2013","52","","9539","9548","10.1021/ic401192x","","","0.71073","MoKα","","0.0159","0.0136","","","0.0319","0.0326","","","","","","1.068","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335765","11.645","0.002","14.595","0.003","9.281","0.002","90","","99.28","0.02","90","","1556.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl N3 Sn -","- C14 H22 Cl N3 Sn -","- C56 H88 Cl4 N12 Sn4 -","4","1","","Christian Maaß; Diego M. Andrada; Ricardo A. Mata; Regine Herbst-Irmer; Dietmar Stalke","Effects of Metal Coordination on the π-System of the 2,5-Bis-{(pyrrolidino)-methyl}-pyrrole Pincer Ligand","Inorganic Chemistry","2013","52","","9539","9548","10.1021/ic401192x","","","0.56086","AgKα","","0.0295","0.0226","","","0.0528","0.0549","","","","","","1.055","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335766","12.9704","0.0004","34.0785","0.0012","16.6454","0.0006","90","","105.28","0.002","90","","7097.4","0.4","135","","135","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H72 N4 O P6 Pd2 -","- C80 H72 N4 O P6 Pd2 -","- C320 H288 N16 O4 P24 Pd8 -","4","1","","Baofei Pan; Deirdra A. Evers-McGregor; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Multimetallic Complexes Featuring a Bridging N-heterocyclic Phosphido/Phosphenium Ligand: Synthesis, Structure, and Theoretical Investigation","Inorganic Chemistry","2013","52","","9583","9589","10.1021/ic4012873","","","0.71073","MoKα","","0.0604","0.0453","","0.1045","0.099","0.1045","","","","","","0.9989","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335767","16.6096","0.0004","16.6096","0.0004","25.8471","0.0007","90","","90","","90","","7130.7","0.3","120","","120","","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C76 H64 N4 P6 Pt2 -","- C76 H64 N4 P6 Pt2 -","- C304 H256 N16 P24 Pt8 -","4","0.25","","Baofei Pan; Deirdra A. Evers-McGregor; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Multimetallic Complexes Featuring a Bridging N-heterocyclic Phosphido/Phosphenium Ligand: Synthesis, Structure, and Theoretical Investigation","Inorganic Chemistry","2013","52","","9583","9589","10.1021/ic4012873","","","0.71073","MoKα","","0.0195","0.0154","","0.0342","0.0329","0.0342","","","","","","0.9722","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335768","11.4913","0.0012","18.3892","0.0018","17.8761","0.0018","90","","97.472","0.004","90","","3745.4","0.7","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H32 Co N2 O4 P3 Pt -","- C42 H32 Co N2 O4 P3 Pt -","- C168 H128 Co4 N8 O16 P12 Pt4 -","4","1","","Baofei Pan; Deirdra A. Evers-McGregor; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Multimetallic Complexes Featuring a Bridging N-heterocyclic Phosphido/Phosphenium Ligand: Synthesis, Structure, and Theoretical Investigation","Inorganic Chemistry","2013","52","","9583","9589","10.1021/ic4012873","","","0.71073","MoKα","","0.0192","0.0167","","0.0382","0.0373","0.0382","","","","","","1.0208","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335769","13.2864","0.0009","24.412","0.0015","24.7493","0.0017","90","","90","","90","","8027.4","0.9","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H82 Cl2 N4 P6 Pd3 -","- C94 H82 Cl2 N4 P6 Pd3 -","- C376 H328 Cl8 N16 P24 Pd12 -","4","1","","Baofei Pan; Deirdra A. Evers-McGregor; Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Multimetallic Complexes Featuring a Bridging N-heterocyclic Phosphido/Phosphenium Ligand: Synthesis, Structure, and Theoretical Investigation","Inorganic Chemistry","2013","52","","9583","9589","10.1021/ic4012873","","","0.71073","MoKα","","0.0297","0.026","","0.056","0.0543","0.056","","","","","","0.9899","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335770","14.818","0.008","12.632","0.006","20.895","0.011","90","","103.401","0.006","90","","3805","3","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H27 Cl N4 O2 Ru -","- C46 H27 Cl N4 O2 Ru -","- C184 H108 Cl4 N16 O8 Ru4 -","4","1","","Motoki Toganoh; Hideaki Matsuo; Ayumi Sato; Yuya Hirashima; Hiroyuki Furuta","Synthesis and Isomerization of N-Fused Tetraphenylporphyrin Ruthenium(II) Complexes","Inorganic Chemistry","2013","52","","9613","9619","10.1021/ic401314a","","","0.710747","MoKa","","0.1167","0.0742","","","0.1778","0.2115","","","","","","1.022","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335771","9.7741","0.0007","12.561","0.0009","16.6774","0.0013","103.627","0.001","94.34","0.002","103.108","0.002","1919.9","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H29 Cl3 N4 O2 Ru -","- C47 H29 Cl3 N4 O2 Ru -","- C94 H58 Cl6 N8 O4 Ru2 -","2","1","","Motoki Toganoh; Hideaki Matsuo; Ayumi Sato; Yuya Hirashima; Hiroyuki Furuta","Synthesis and Isomerization of N-Fused Tetraphenylporphyrin Ruthenium(II) Complexes","Inorganic Chemistry","2013","52","","9613","9619","10.1021/ic401314a","","","0.71069","MoKa","","0.0774","0.0513","","","0.1161","0.1248","","","","","","0.941","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335772","10.102","0.005","24.532","0.013","30.099","0.015","90","","91.941","0.005","90","","7455","7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H27 Cl N4 O2 Ru -","- C46 H27 Cl N4 O2 Ru -","- C368 H216 Cl8 N32 O16 Ru8 -","8","2","","Motoki Toganoh; Hideaki Matsuo; Ayumi Sato; Yuya Hirashima; Hiroyuki Furuta","Synthesis and Isomerization of N-Fused Tetraphenylporphyrin Ruthenium(II) Complexes","Inorganic Chemistry","2013","52","","9613","9619","10.1021/ic401314a","","","0.71069","MoKa","","0.1482","0.0982","","","0.2454","0.2889","","","","","","1.046","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335773","15.094","0.004","9.921","0.003","18.717","0.004","90","","97.921","0.008","90","","2776.1","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O13 V3 -","- C22 H32 N2 O13 V3 -","- C88 H128 N8 O52 V12 -","4","1","","Kisholoy Bhattacharya; Manoranjan Maity; Sk Md Towsif Abtab; Mithun Chandra Majee; Muktimoy Chaudhury","Homo- and Heterometal Complexes of Oxido-Metal Ions with a Triangular [V(V)O-MO-V(V)O] [M = V(IV) and Re(V)] Core: Reporting Mixed-Oxidation Oxido-Vanadium(V/IV/V) Compounds with Valence Trapped Structures","Inorganic Chemistry","2013","52","","9597","9605","10.1021/ic4013203","","","0.71073","MoKα","","0.0841","0.0421","","","0.1117","0.1477","","","","","","1.009","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335774","16.779","0.005","14.807","0.004","11.232","0.003","90","","90","","90","","2790.6","1.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C25 H28 N2 O12 V3 -","- C25 H28 N2 O12 V3 -","- C100 H112 N8 O48 V12 -","4","0.5","","Kisholoy Bhattacharya; Manoranjan Maity; Sk Md Towsif Abtab; Mithun Chandra Majee; Muktimoy Chaudhury","Homo- and Heterometal Complexes of Oxido-Metal Ions with a Triangular [V(V)O-MO-V(V)O] [M = V(IV) and Re(V)] Core: Reporting Mixed-Oxidation Oxido-Vanadium(V/IV/V) Compounds with Valence Trapped Structures","Inorganic Chemistry","2013","52","","9597","9605","10.1021/ic4013203","","","0.71073","MoKα","","0.0719","0.043","","","0.119","0.1405","","","","","","0.903","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335775","24.191","0.005","13.926","0.003","8.5137","0.0019","90","","90","","90","","2868.1","1.1","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H33 N2 O12 Re V2 -","- C24 H33 N2 O12 Re V2 -","- C96 H132 N8 O48 Re4 V8 -","4","0.5","","Kisholoy Bhattacharya; Manoranjan Maity; Sk Md Towsif Abtab; Mithun Chandra Majee; Muktimoy Chaudhury","Homo- and Heterometal Complexes of Oxido-Metal Ions with a Triangular [V(V)O-MO-V(V)O] [M = V(IV) and Re(V)] Core: Reporting Mixed-Oxidation Oxido-Vanadium(V/IV/V) Compounds with Valence Trapped Structures","Inorganic Chemistry","2013","52","","9597","9605","10.1021/ic4013203","","","0.71073","MoKα","","0.0631","0.0553","","","0.1755","0.181","","","","","","1.521","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335776","18.672","0.006","17.99","0.006","6.718","0.002","90","","90","","90","","2256.6","1.2","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","K~3~[Fe~4~(HPO~4~)][Ge~2~O(OH)(PO~4~)~2~].2H~2~O","","","- Fe4 Ge2 H7 K3 O28 P6 -","- Fe4 Ge2 H3 K3 O28 P6 -","- Fe16 Ge8 H12 K12 O112 P24 -","4","0.25","","Ya-Xi Huang; Biao Liu; Lei Wen; Xin Zhang; Wei Sun; Jun Lin; Chun-Zuo Huang; Rong-Chuan Zhuang; Jin-Xiao Mi; Jing-Tai Zhao","Structural Assembly from Phosphate to Germanophosphate by Applying Germanate as a Binder","Inorganic Chemistry","2013","52","","9169","9171","10.1021/ic401329d","","","0.71073","MoKα","","0.056","0.0486","","","0.0971","0.0996","","","","","","1.158","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335777","19.069","0.005","19.104","0.005","6.7711","0.0017","90","","90","","90","","2466.7","1.1","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","K~3~[Cd~4~(HPO~4~)~2~][Ge~2~O(OH)(PO~4~)~4~].3H~2~O","","","- Cd4 Ge2 H9 K3 O29 P6 -","- Cd4 Ge2 H3 K3 O29 P6 -","- Cd16 Ge8 H12 K12 O116 P24 -","4","0.25","","Ya-Xi Huang; Biao Liu; Lei Wen; Xin Zhang; Wei Sun; Jun Lin; Chun-Zuo Huang; Rong-Chuan Zhuang; Jin-Xiao Mi; Jing-Tai Zhao","Structural Assembly from Phosphate to Germanophosphate by Applying Germanate as a Binder","Inorganic Chemistry","2013","52","","9169","9171","10.1021/ic401329d","","","0.71073","MoKα","","0.0429","0.0377","","","0.0953","0.0994","","","","","","1.078","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335778","10.992","0.005","12.342","0.005","14.176","0.005","111.062","0.005","104.528","0.005","99.199","0.005","1669.4","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H90 Dy0.19 N8 O24 Y1.81 Zn2 -","- C56 H90 Dy0.188 N8 O24 Y1.812 Zn2 -","- C56 H90 Dy0.188 N8 O24 Y1.812 Zn2 -","1","0.5","","Silvia Titos-Padilla; José Ruiz; Juan Manuel Herrera; Euan K. Brechin; Wolfgang Wersndorfer; Francesc Lloret; Enrique Colacio","Dilution-Triggered SMM Behavior under Zero Field in a Luminescent Zn2Dy2 Tetranuclear Complex Incorporating Carbonato-Bridging Ligands Derived from Atmospheric CO2 Fixation","Inorganic Chemistry","2013","52","","9620","9626","10.1021/ic401378k","","","0.71069","MoKα","","0.0396","0.0324","","","0.08","0.0836","","","","","","1.065","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335779","11.071","0.005","12.333","0.005","14.188","0.005","111","0.005","104.765","0.005","99.438","0.005","1677.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H90 Dy2 N8 O24 Zn2 -","- C56 H90 Dy2 N8 O24 Zn2 -","- C56 H90 Dy2 N8 O24 Zn2 -","1","0.5","","Silvia Titos-Padilla; José Ruiz; Juan Manuel Herrera; Euan K. Brechin; Wolfgang Wersndorfer; Francesc Lloret; Enrique Colacio","Dilution-Triggered SMM Behavior under Zero Field in a Luminescent Zn2Dy2 Tetranuclear Complex Incorporating Carbonato-Bridging Ligands Derived from Atmospheric CO2 Fixation","Inorganic Chemistry","2013","52","","9620","9626","10.1021/ic401378k","","","0.71069","MoKα","","0.0312","0.0287","","","0.0704","0.0721","","","","","","1.065","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335780","8.1888","0.0006","14.619","0.0011","17.437","0.0013","90","","93.843","0.004","90","","2082.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 Cl2 Fe N2 P -","- C19 H27 Cl2 Fe N2 P -","- C76 H108 Cl8 Fe4 N8 P4 -","4","1","","Thomas Zell; Robert Langer; Mark A. Iron; Leonid Konstantinovski; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; Ekambaram Balaraman; Yehoshoa Ben-David; David Milstein","Synthesis, Structures, and Dearomatization by Deprotonation of Iron Complexes Featuring Bipyridine-based PNN Pincer Ligands","Inorganic Chemistry","2013","52","","9636","9649","10.1021/ic401432m","","","0.71073","MoKα","","0.0584","0.0385","","","0.0836","0.0912","","","","","","1.023","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335781","8.6815","0.0003","10.273","0.0004","13.7241","0.0005","81.688","0.002","87.376","0.002","85.02","0.002","1205.87","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H30 Br2 Fe N3 P -","- C21 H30 Br2 Fe N3 P -","- C42 H60 Br4 Fe2 N6 P2 -","2","1","","Thomas Zell; Robert Langer; Mark A. Iron; Leonid Konstantinovski; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; Ekambaram Balaraman; Yehoshoa Ben-David; David Milstein","Synthesis, Structures, and Dearomatization by Deprotonation of Iron Complexes Featuring Bipyridine-based PNN Pincer Ligands","Inorganic Chemistry","2013","52","","9636","9649","10.1021/ic401432m","","","0.71073","MoKα","","0.0287","0.0232","","","0.0588","0.0607","","","","","","1.033","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335782","8.7592","0.0006","14.3618","0.0008","15.2256","0.0009","90","","90.642","0.003","90","","1915.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Br2 Fe N2 P -","- C17 H23 Br2 Fe N2 P -","- C68 H92 Br8 Fe4 N8 P4 -","4","1","","Thomas Zell; Robert Langer; Mark A. Iron; Leonid Konstantinovski; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; Ekambaram Balaraman; Yehoshoa Ben-David; David Milstein","Synthesis, Structures, and Dearomatization by Deprotonation of Iron Complexes Featuring Bipyridine-based PNN Pincer Ligands","Inorganic Chemistry","2013","52","","9636","9649","10.1021/ic401432m","","","0.71073","MoKα","","0.0407","0.0284","","","0.0581","0.0611","","","","","","1.056","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335783","10.2676","0.0005","17.5319","0.0009","21.1256","0.0011","90","","99.049","0.003","90","","3755.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H49 Br2 Fe N5 P2 -","- C36 H49 Br2 Fe N5 P2 -","- C144 H196 Br8 Fe4 N20 P8 -","4","1","","Thomas Zell; Robert Langer; Mark A. Iron; Leonid Konstantinovski; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; Ekambaram Balaraman; Yehoshoa Ben-David; David Milstein","Synthesis, Structures, and Dearomatization by Deprotonation of Iron Complexes Featuring Bipyridine-based PNN Pincer Ligands","Inorganic Chemistry","2013","52","","9636","9649","10.1021/ic401432m","","","0.71073","MoKα","","0.0483","0.0368","","","0.0828","0.0865","","","","","","1.144","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335784","12.674","0.003","24.218","0.005","16.214","0.003","90","","108.19","0.03","90","","4728","1.9","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C94 H79 Br8 Fe4 N9 P4 -","- C94 H79 Br8 Fe4 N9 P4 -","- C188 H158 Br16 Fe8 N18 P8 -","2","0.5","","Thomas Zell; Robert Langer; Mark A. Iron; Leonid Konstantinovski; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; Ekambaram Balaraman; Yehoshoa Ben-David; David Milstein","Synthesis, Structures, and Dearomatization by Deprotonation of Iron Complexes Featuring Bipyridine-based PNN Pincer Ligands","Inorganic Chemistry","2013","52","","9636","9649","10.1021/ic401432m","","","0.71073","MoKα","","0.0592","0.0536","","","0.1558","0.1587","","","","","","1.073","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335785","17.2483","0.0006","13.6776","0.0005","18.619","0.0006","90","","102.225","0.002","90","","4292.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H45 Fe N4 P2 -","- C55 H45 Fe N4 P2 -","- C220 H180 Fe4 N16 P8 -","4","1","","Thomas Zell; Robert Langer; Mark A. Iron; Leonid Konstantinovski; Linda J. W. Shimon; Yael Diskin-Posner; Gregory Leitus; Ekambaram Balaraman; Yehoshoa Ben-David; David Milstein","Synthesis, Structures, and Dearomatization by Deprotonation of Iron Complexes Featuring Bipyridine-based PNN Pincer Ligands","Inorganic Chemistry","2013","52","","9636","9649","10.1021/ic401432m","","","0.71073","MoKα","","0.0501","0.0362","","","0.0847","0.092","","","","","","1.013","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4335786","16.7352","0.0016","6.3794","0.0006","8.8122","0.0009","90","","90","","90","","940.8","0.16","170","2","170","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H6 Au Cl2 N5 -","- C5 H6 Au Cl2 N5 -","- C20 H24 Au4 Cl8 N20 -","4","0.5","","Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray","Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects","Inorganic Chemistry","2013","52","","9659","9668","10.1021/ic4014569","","","0.71073","MoKα","","0.0218","0.0198","","","0.0445","0.045","","","","","","1.191","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335787","9.1386","0.0007","6.9823","0.0005","18.7475","0.0014","90","","90","","90","","1196.25","0.15","170","2","170","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C9 H16 Au N5 -","- C9 H16 Au N5 -","- C36 H64 Au4 N20 -","4","0.5","","Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray","Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects","Inorganic Chemistry","2013","52","","9659","9668","10.1021/ic4014569","","","0.71073","MoKα","","0.0333","0.0314","","","0.0606","0.0611","","","","","","1.44","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335788","12.7141","0.0003","12.5924","0.0003","14.5253","0.0003","90","","97.465","0.001","90","","2305.81","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 Au N3 P -","- C25 H27 Au N3 P -","- C100 H108 Au4 N12 P4 -","4","2","","Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray","Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects","Inorganic Chemistry","2013","52","","9659","9668","10.1021/ic4014569","","","0.71073","MoKα","","0.0174","0.016","","","0.0337","0.0341","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335789","12.8742","0.0002","12.8742","0.0002","14.6812","0.0003","90","","90","","90","","2433.34","0.07","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C26 H27 Au N3 P -","- C26 H27 Au N3 P -","- C104 H108 Au4 N12 P4 -","4","1","","Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray","Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects","Inorganic Chemistry","2013","52","","9659","9668","10.1021/ic4014569","","","0.71073","MoKα","","0.0322","0.025","","","0.0521","0.0553","","","","","","1.089","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335790","13.9165","0.0005","13.9165","0.0005","12.8078","0.0007","90","","90","","90","","2480.47","0.19","298","2","298","2","","","","","","","","6","P 43","P 4cw","78","","","","- C27 H23 Au N3 O P -","- C27 H23 Au N3 O P -","- C108 H92 Au4 N12 O4 P4 -","4","1","","Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray","Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects","Inorganic Chemistry","2013","52","","9659","9668","10.1021/ic4014569","","","0.71073","MoKα","","0.0367","0.0252","","","0.0453","0.0484","","","","","","0.987","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335791","13.4001","0.0014","15.0853","0.0015","20.853","0.002","70.291","0.001","86.952","0.001","66.516","0.001","3623.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Au N4 P -","- C26 H22 Au N4 P -","- C156 H132 Au6 N24 P6 -","6","3","","Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray","Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects","Inorganic Chemistry","2013","52","","9659","9668","10.1021/ic4014569","","","0.71073","MoKα","","0.115","0.0657","","","0.1503","0.1691","","","","","","0.891","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335792","13.0682","0.0016","28.854","0.003","21.952","0.003","90","","102.451","0.001","90","","8082.8","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 Au N3 O P -","- C27 H41 Au N3 O P -","- C324 H492 Au12 N36 O12 P12 -","12","3","","Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray","Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects","Inorganic Chemistry","2013","52","","9659","9668","10.1021/ic4014569","","","0.71073","MoKα","","0.0294","0.0221","","","0.0529","0.06","","","","","","1.058","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335793","18.6675","0.0015","7.1299","0.0006","15.0132","0.0012","90","","92.5","0.001","90","","1996.3","0.3","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Au Cl2 N2 O3 -","- C20 H16 Au Cl2 N2 O3 -","- C80 H64 Au4 Cl8 N8 O12 -","4","1","","Thomas J. Robilotto; Nihal Deligonul; James B. Updegraff; Thomas G. Gray","Azido, Triazolyl, and Alkynyl Complexes of Gold(I): Syntheses, Structures, and Ligand Effects","Inorganic Chemistry","2013","52","","9659","9668","10.1021/ic4014569","","","0.71073","MoKα","","0.0465","0.0277","","","0.0621","0.0811","","","","","","1.069","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335794","40.057","0.006","16.65","0.002","26.106","0.004","90","","106.721","0.002","90","","16675","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H92 Eu2 N8 -","- C84 H92 Eu2 N8 -","- C672 H736 Eu16 N64 -","8","1","","Zhijun Feng; Xiancui Zhu; Shaoyin Wang; Shaowu Wang; Shuangliu Zhou; Yun Wei; Guangchao Zhang; Baojia Deng; Xiaolong Mu","Synthesis, Structure, and Reactivity of Lanthanide Complexes Incorporating Indolyl Ligands in Novel Hapticities","Inorganic Chemistry","2013","52","","9549","9556","10.1021/ic401515q","","","0.71073","MoKα","","0.0642","0.0355","","","0.0719","0.0786","","","","","","1.009","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335795","10.6005","0.0008","32.236","0.002","11.939","0.0009","90","","109.718","0.001","90","","3840.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H58 N3 O2 Si2 Yb -","- C35 H58 N3 O2 Si2 Yb -","- C140 H232 N12 O8 Si8 Yb4 -","4","1","","Zhijun Feng; Xiancui Zhu; Shaoyin Wang; Shaowu Wang; Shuangliu Zhou; Yun Wei; Guangchao Zhang; Baojia Deng; Xiaolong Mu","Synthesis, Structure, and Reactivity of Lanthanide Complexes Incorporating Indolyl Ligands in Novel Hapticities","Inorganic Chemistry","2013","52","","9549","9556","10.1021/ic401515q","","","0.71073","MoKα","","0.0511","0.0438","","","0.1603","0.169","","","","","","1","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335796","17.127","0.0011","15.5956","0.001","35.03","0.002","90","","99.568","0.001","90","","9226.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H100 Eu2 N8 O2 -","- C84 H100 Eu2 N8 O2 -","- C336 H400 Eu8 N32 O8 -","4","1","","Zhijun Feng; Xiancui Zhu; Shaoyin Wang; Shaowu Wang; Shuangliu Zhou; Yun Wei; Guangchao Zhang; Baojia Deng; Xiaolong Mu","Synthesis, Structure, and Reactivity of Lanthanide Complexes Incorporating Indolyl Ligands in Novel Hapticities","Inorganic Chemistry","2013","52","","9549","9556","10.1021/ic401515q","","","0.71073","MoKα","","0.0931","0.0479","","","0.0909","0.0974","","","","","","1.045","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335797","13.0633","0.0006","13.0633","0.0006","65.076","0.005","90","","90","","90","","11105.2","1.1","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C100 H132 Eu2 N8 O2 -","- C100 H132 Eu2 N8 O2 -","- C400 H528 Eu8 N32 O8 -","4","0.5","","Zhijun Feng; Xiancui Zhu; Shaoyin Wang; Shaowu Wang; Shuangliu Zhou; Yun Wei; Guangchao Zhang; Baojia Deng; Xiaolong Mu","Synthesis, Structure, and Reactivity of Lanthanide Complexes Incorporating Indolyl Ligands in Novel Hapticities","Inorganic Chemistry","2013","52","","9549","9556","10.1021/ic401515q","","","0.71073","MoKα","","0.0961","0.0723","","","0.1725","0.1834","","","","","","1.027","","","","has coordinates","179460","2020-10-21","18:00:00",""
"4335798","33.0716","0.0007","12.4762","0.0003","17.4131","0.0004","90","","92.424","0.001","90","","7178.4","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H92 Mo2 N4 O14 S6 -","- C60 H92 Mo2 N4 O14 S6 -","- C240 H368 Mo8 N16 O56 S24 -","4","0.5","","Luke A. Wilkinson; Laura McNeill; Paul A. Scattergood; Nathan J. Patmore","Hydrogen Bonding and Electron Transfer between Dimetal Paddlewheel Compounds Containing Pendant 2-Pyridone Functional Groups","Inorganic Chemistry","2013","52","","9683","9691","10.1021/ic401555g","","","0.71073","MoKα","","0.0791","0.0604","","","0.1582","0.1729","","","","","","1.058","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335799","15.2138","0.0011","9.9307","0.0007","15.6547","0.0011","90","","106.24","0.004","90","","2270.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Mo2 N8 O12 S4 -","- C40 H44 Mo2 N8 O12 S4 -","- C80 H88 Mo4 N16 O24 S8 -","2","0.5","","Luke A. Wilkinson; Laura McNeill; Paul A. Scattergood; Nathan J. Patmore","Hydrogen Bonding and Electron Transfer between Dimetal Paddlewheel Compounds Containing Pendant 2-Pyridone Functional Groups","Inorganic Chemistry","2013","52","","9683","9691","10.1021/ic401555g","","","0.71073","MoKα","","0.1659","0.0629","","","0.1148","0.1507","","","","","","0.956","","","","has coordinates,has disorder","179460","2020-10-21","18:00:00",""
"4335800","12.2675","0.0004","19.7275","0.0006","6.8643","0.0006","90","","101.414","0.001","90","","1628.36","0.16","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H2 Na5 O18 U5 -","- Na5 O18 U5 -","- Na20 O72 U20 -","4","0.5","","Hsin-Kuang Liu; Kwang-Hwa Lii","Mixed-Valence Uranium(V,VI) and Uranyl Oxyhydroxides Synthesized under High-Temperature, High-Pressure Hydrothermal Conditions: Na5[U5O16(OH)2] and Na5[U5O17(OH)]","Inorganic Chemistry","2013","52","","9172","9174","10.1021/ic401690s","","","0.71073","MoKα","","0.0389","0.0327","","","0.0932","0.0985","","","","","","1.186","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335801","6.9369","0.0004","19.844","0.0013","12.7132","0.0009","90","","111.116","0.004","90","","1632.54","0.19","296","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H Na5 O18 U5 -","- Na5 O18 U5 -","- Na20 O72 U20 -","4","1","","Hsin-Kuang Liu; Kwang-Hwa Lii","Mixed-Valence Uranium(V,VI) and Uranyl Oxyhydroxides Synthesized under High-Temperature, High-Pressure Hydrothermal Conditions: Na5[U5O16(OH)2] and Na5[U5O17(OH)]","Inorganic Chemistry","2013","52","","9172","9174","10.1021/ic401690s","","","0.71073","MoKα","","0.1201","0.0617","","","0.1264","0.1526","","","","","","1.043","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335802","10.8694","0.0002","17.0146","0.0003","16.039","0.0003","90","","99.975","0.001","90","","2921.39","0.09","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H29 Cu I N4 P -","- C29 H29 Cu I N4 P -","- C116 H116 Cu4 I4 N16 P4 -","4","1","","Jing-Lin Chen; Xing-Fu Cao; Jin-Yun Wang; Li-Hua He; Zong-Yong Liu; He-Rui Wen; Zhong-Ning Chen","Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2'-Pyridyl)-1,2,4-triazole Chelating Ligands","Inorganic Chemistry","2013","52","","9727","9740","10.1021/ic4002829","","","0.71073","MoKα","","0.0227","0.0214","","","0.049","0.0496","","","","","","1.023","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335803","10.6955","0.0001","16.9158","0.0002","15.7249","0.0002","90","","97.95","0.001","90","","2817.65","0.06","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H29 Br Cu N4 P -","- C29 H29 Br Cu N4 P -","- C116 H116 Br4 Cu4 N16 P4 -","4","1","","Jing-Lin Chen; Xing-Fu Cao; Jin-Yun Wang; Li-Hua He; Zong-Yong Liu; He-Rui Wen; Zhong-Ning Chen","Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2'-Pyridyl)-1,2,4-triazole Chelating Ligands","Inorganic Chemistry","2013","52","","9727","9740","10.1021/ic4002829","","","0.71073","MoKα","","0.0425","0.0326","","","0.0654","0.0694","","","","","","0.889","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335804","10.5931","0.0004","16.8769","0.0006","15.5198","0.0006","90","","97.24","0.002","90","","2752.49","0.18","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H29 Cl Cu N4 P -","- C29 H29 Cl Cu N4 P -","- C116 H116 Cl4 Cu4 N16 P4 -","4","1","","Jing-Lin Chen; Xing-Fu Cao; Jin-Yun Wang; Li-Hua He; Zong-Yong Liu; He-Rui Wen; Zhong-Ning Chen","Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2'-Pyridyl)-1,2,4-triazole Chelating Ligands","Inorganic Chemistry","2013","52","","9727","9740","10.1021/ic4002829","","","0.71073","MoKα","","0.0863","0.0426","","","0.0563","0.066","","","","","","0.979","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335805","10.7879","0.001","17.1097","0.0017","16.297","0.002","90","","98.354","0.001","90","","2976.1","0.5","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H31 Cu I N4 P -","- C30 H31 Cu I N4 P -","- C120 H124 Cu4 I4 N16 P4 -","4","1","","Jing-Lin Chen; Xing-Fu Cao; Jin-Yun Wang; Li-Hua He; Zong-Yong Liu; He-Rui Wen; Zhong-Ning Chen","Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2'-Pyridyl)-1,2,4-triazole Chelating Ligands","Inorganic Chemistry","2013","52","","9727","9740","10.1021/ic4002829","","","0.71073","MoKα","","0.0587","0.0515","","","0.13","0.1357","","","","","","1.04","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335806","32.625","0.004","15.5875","0.0019","21.406","0.002","90","","124.976","0.002","90","","8919.8","1.8","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C47 H44 Cl Cu N4 O4 P2 -","- C47 H44 Cl Cu N4 O4 P2 -","- C376 H352 Cl8 Cu8 N32 O32 P16 -","8","1","","Jing-Lin Chen; Xing-Fu Cao; Jin-Yun Wang; Li-Hua He; Zong-Yong Liu; He-Rui Wen; Zhong-Ning Chen","Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2'-Pyridyl)-1,2,4-triazole Chelating Ligands","Inorganic Chemistry","2013","52","","9727","9740","10.1021/ic4002829","","","0.71073","MoKα","","0.1873","0.0698","","","0.162","0.2141","","","","","","0.968","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335807","15.6798","0.0015","16.7611","0.0016","27.175","0.003","85.433","0.002","84.598","0.003","74.193","0.002","6830.4","1.2","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C135 H108 Cl12 Cu3 F9 N12 O12 P6 -","- C134.997 H108 Cl11.999 Cu3 F9 N12 O12 P6 -","- C269.994 H216 Cl23.998 Cu6 F18 N24 O24 P12 -","2","1","","Jing-Lin Chen; Xing-Fu Cao; Jin-Yun Wang; Li-Hua He; Zong-Yong Liu; He-Rui Wen; Zhong-Ning Chen","Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2'-Pyridyl)-1,2,4-triazole Chelating Ligands","Inorganic Chemistry","2013","52","","9727","9740","10.1021/ic4002829","","","0.71073","MoKα","","0.0496","0.045","","","0.1248","0.1288","","","","","","1.066","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335808","13.0571","0.0002","21.9601","0.0003","14.3551","0.0002","90","","106.301","0.001","90","","3950.65","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 Cu F3 N4 P2 -","- C44 H34 Cu F3 N4 P2 -","- C176 H136 Cu4 F12 N16 P8 -","4","1","","Jing-Lin Chen; Xing-Fu Cao; Jin-Yun Wang; Li-Hua He; Zong-Yong Liu; He-Rui Wen; Zhong-Ning Chen","Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2'-Pyridyl)-1,2,4-triazole Chelating Ligands","Inorganic Chemistry","2013","52","","9727","9740","10.1021/ic4002829","","","0.71073","MoKα","","0.0952","0.0496","","","0.1166","0.1375","","","","","","1.007","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335809","12.1535","0.0003","15.9763","0.0003","19.9227","0.0004","90","","106.274","0.001","90","","3713.36","0.14","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 Cl Cu N4 O4 P2 -","- C37 H38 Cl Cu N4 O4 P2 -","- C148 H152 Cl4 Cu4 N16 O16 P8 -","4","1","","Jing-Lin Chen; Xing-Fu Cao; Jin-Yun Wang; Li-Hua He; Zong-Yong Liu; He-Rui Wen; Zhong-Ning Chen","Synthesis, Characterization, and Photophysical Properties of Heteroleptic Copper(I) Complexes with Functionalized 3-(2'-Pyridyl)-1,2,4-triazole Chelating Ligands","Inorganic Chemistry","2013","52","","9727","9740","10.1021/ic4002829","","","0.71073","MoKα","","0.07","0.0429","","","0.1099","0.123","","","","","","1.031","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335810","4.3534","0.0006","4.3534","0.0006","4.4402","0.0009","90","","90","","120","","72.88","0.02","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ag0.56 Eu Ge1.44 -","- Ag0.56 Eu Ge1.44 -","- Ag0.56 Eu Ge1.44 -","1","0.0416667","","Sumanta Sarkar; Sebastian C. Peter","Structural Phase Transitions in a New Compound Eu2AgGe3","Inorganic Chemistry","2013","52","","9741","9748","10.1021/ic400369a","","","0.71073","MoKα","","0.041","0.0398","","","0.0856","0.0918","","","","","","1.403","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335811","8.7069","0.0017","15.011","0.003","8.8803","0.0018","90","","90","","90","","1160.6","0.4","293","2","293","2","","","","","","","","3","F m m m","-F 2 2","69","","","","- Ag1.19 Eu2 Ge2.81 -","- Ag1.188 Eu2 Ge2.812 -","- Ag9.504 Eu16 Ge22.496 -","8","0.25","","Sumanta Sarkar; Sebastian C. Peter","Structural Phase Transitions in a New Compound Eu2AgGe3","Inorganic Chemistry","2013","52","","9741","9748","10.1021/ic400369a","","","0.71073","MoKα","","0.0649","0.056","","","0.1544","0.1603","","","","","","1.275","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335812","8.7069","0.0017","15.011","0.003","17.761","0.004","90","","90","","90","","2321.3","0.8","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Ag1.22 Eu2 Ge2.78 -","- Ag1.224 Eu2 Ge2.776 -","- Ag19.584 Eu32 Ge44.416 -","16","0.5","","Sumanta Sarkar; Sebastian C. Peter","Structural Phase Transitions in a New Compound Eu2AgGe3","Inorganic Chemistry","2013","52","","9741","9748","10.1021/ic400369a","","","0.71073","MoKα","","0.0909","0.0769","","","0.1716","0.179","","","","","","1.424","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335813","37.6275","0.0015","10.4778","0.0003","20.726","0.005","90","","97.93","0.003","90","","8093","2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H132 P4 Ru2 Si4 -","- C84 H132 P4 Ru2 Si4 -","- C336 H528 P16 Ru8 Si16 -","4","1","","Virginia Montiel-Palma; Miguel A. Muñoz-Hernández; Cynthia A. Cuevas-Chávez; Laure Vendier; Mary Grellier; Sylviane Sabo-Etienne","Phosphinodi(benzylsilane) PhP{(o-C6H4CH2)SiMe2H}2: A Versatile ""PSi2Hx"" Pincer-Type Ligand at Ruthenium","Inorganic Chemistry","2013","52","","9798","9806","10.1021/ic400703r","","x-ray","0.71073","MoKα","","0.0998","0.0612","","","0.0947","0.1066","","","","","","1.076","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335814","10.0343","0.0019","13.224","0.003","19.052","0.004","99.247","0.003","95.585","0.003","103.004","0.003","2407.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H80 O2 P2 Ru Si2 -","- C50 H80 O2 P2 Ru Si2 -","- C100 H160 O4 P4 Ru2 Si4 -","2","1","","Virginia Montiel-Palma; Miguel A. Muñoz-Hernández; Cynthia A. Cuevas-Chávez; Laure Vendier; Mary Grellier; Sylviane Sabo-Etienne","Phosphinodi(benzylsilane) PhP{(o-C6H4CH2)SiMe2H}2: A Versatile ""PSi2Hx"" Pincer-Type Ligand at Ruthenium","Inorganic Chemistry","2013","52","","9798","9806","10.1021/ic400703r","","","0.71073","MoKα","","0.0531","0.0453","","","0.1208","0.1245","","","","","","1.048","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335815","4.5551","0.0004","22.1192","0.0019","13.39","0.002","90","","96.148","0.012","90","","1341.4","0.3","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Robert M. Edkins; Katharina Fucke; Michael J. G. Peach; Andrew G. Crawford; Todd B. Marder; Andrew Beeby","Syntheses, Structures, and Comparison of the Photophysical Properties of Cyclometalated Iridium Complexes Containing the Isomeric 1- and 2-(2'-pyridyl)pyrene Ligands","Inorganic Chemistry","2013","52","","9842","9860","10.1021/ic400819f","","","0.7107","MoKα","","0.0858","0.0444","","","0.0873","0.0965","","","","","","0.907","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335816","42.795","0.002","8.9971","0.0004","18.0493","0.0008","90","","103.618","0.001","90","","6754.2","0.5","120","2","393","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H31 Ir N2 O2 -","- C47 H31 Ir N2 O2 -","- C376 H248 Ir8 N16 O16 -","8","1","","Robert M. Edkins; Katharina Fucke; Michael J. G. Peach; Andrew G. Crawford; Todd B. Marder; Andrew Beeby","Syntheses, Structures, and Comparison of the Photophysical Properties of Cyclometalated Iridium Complexes Containing the Isomeric 1- and 2-(2'-pyridyl)pyrene Ligands","Inorganic Chemistry","2013","52","","9842","9860","10.1021/ic400819f","","","0.71073","MoKα","","0.0847","0.0395","","","0.0627","0.0724","","","","","","0.856","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335817","7.8382","0.0003","22.5797","0.0008","20.4029","0.0007","90","","90","","90","","3611","0.2","120","2","393","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H31 Cl2 Ir N2 O2 -","- C48 H31 Cl2 Ir N2 O2 -","- C192 H124 Cl8 Ir4 N8 O8 -","4","0.5","","Robert M. Edkins; Katharina Fucke; Michael J. G. Peach; Andrew G. Crawford; Todd B. Marder; Andrew Beeby","Syntheses, Structures, and Comparison of the Photophysical Properties of Cyclometalated Iridium Complexes Containing the Isomeric 1- and 2-(2'-pyridyl)pyrene Ligands","Inorganic Chemistry","2013","52","","9842","9860","10.1021/ic400819f","","","0.71073","MoKα","","0.0723","0.0379","","","0.0776","0.0894","","","","","","1.028","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335818","3.8499","0.0005","12.6863","0.0015","27.185","0.003","90","","90.715","0.005","90","","1327.6","0.3","393.15","","393.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Robert M. Edkins; Katharina Fucke; Michael J. G. Peach; Andrew G. Crawford; Todd B. Marder; Andrew Beeby","Syntheses, Structures, and Comparison of the Photophysical Properties of Cyclometalated Iridium Complexes Containing the Isomeric 1- and 2-(2'-pyridyl)pyrene Ligands","Inorganic Chemistry","2013","52","","9842","9860","10.1021/ic400819f","","x-ray","0.71073","MOKα","K-L~3~","0.1426","0.063","","","0.1398","0.1644","","","","","","0.879","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335819","25.0401","0.0005","31.2285","0.0005","12.3111","0.0002","90","","98.206","0.001","90","","9528.3","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H48 N12 O16 S4 Zn4 -","- C60 H48 N12 O16 S4 Zn4 -","- C240 H192 N48 O64 S16 Zn16 -","4","0.5","","Sergey A. Sapchenko; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin","Hierarchical Guest Exchange and Step-by-Step Activation of a Biporous Coordination Framework","Inorganic Chemistry","2013","52","","9702","9704","10.1021/ic400940w","","x-ray","0.71073","MoKα","","0.0722","0.0424","","","0.1018","0.1091","","","","","","1.048","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335820","12.2241","0.0003","31.2482","0.0007","24.8982","0.0005","90","","97.846","0.001","90","","9421.6","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H84 N12 O16 S4 Zn4 -","- C96 H84 N12 O16 S4 Zn4 -","- C384 H336 N48 O64 S16 Zn16 -","4","1","","Sergey A. Sapchenko; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin","Hierarchical Guest Exchange and Step-by-Step Activation of a Biporous Coordination Framework","Inorganic Chemistry","2013","52","","9702","9704","10.1021/ic400940w","","x-ray","0.71073","MoKα","","0.1026","0.0564","","","0.1165","0.1276","","","","","","1.036","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335821","12.0746","0.0003","31.4093","0.0009","24.4887","0.0007","90","","96.33","0.002","90","","9230.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C99 H88 N8 O16.5 Zn4 -","- C99 H87 N8 O16.5 Zn4 -","- C396 H348 N32 O66 Zn16 -","4","1","","Sergey A. Sapchenko; Denis G. Samsonenko; Danil N. Dybtsev; Vladimir P. Fedin","Hierarchical Guest Exchange and Step-by-Step Activation of a Biporous Coordination Framework","Inorganic Chemistry","2013","52","","9702","9704","10.1021/ic400940w","","x-ray","1.54178","CuKα","","0.069","0.0607","","","0.1464","0.1501","","","","","","1.194","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335822","7.937","0.0002","15.6717","0.0004","21.0443","0.0005","90","","98.821","0.001","90","","2586.66","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 P2 S2 Zn -","- C24 H36 P2 S2 Zn -","- C96 H144 P8 S8 Zn4 -","4","1","","Brian M. Barry; Benjamin W. Stein; Christopher A. Larsen; Melissa N. Wirtz; William E. Geiger; Rory Waterman; Richard A. Kemp","Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability","Inorganic Chemistry","2013","52","","9875","9884","10.1021/ic400990n","","","0.71073","MoKα","","0.053","0.0312","","","0.0749","0.0898","","","","","","1.067","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335823","26.861","0.002","8.0179","0.0007","15.728","0.0013","90","","122.853","0.005","90","","2845.6","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 P2 S2 Zn -","- C28 H44 P2 S2 Zn -","- C112 H176 P8 S8 Zn4 -","4","0.5","","Brian M. Barry; Benjamin W. Stein; Christopher A. Larsen; Melissa N. Wirtz; William E. Geiger; Rory Waterman; Richard A. Kemp","Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability","Inorganic Chemistry","2013","52","","9875","9884","10.1021/ic400990n","","","0.71073","MoKα","","0.0749","0.0402","","","0.1068","0.1753","","","","","","1.201","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335824","11.6509","0.0013","15.1676","0.0017","15.5835","0.0019","90","","96.802","0.006","90","","2734.5","0.5","172","2","172","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 P2 S2 Sn -","- C24 H36 P2 S2 Sn -","- C96 H144 P8 S8 Sn4 -","4","1","","Brian M. Barry; Benjamin W. Stein; Christopher A. Larsen; Melissa N. Wirtz; William E. Geiger; Rory Waterman; Richard A. Kemp","Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability","Inorganic Chemistry","2013","52","","9875","9884","10.1021/ic400990n","","","0.71073","MoKα","","0.0341","0.0237","","","0.0647","0.0817","","","","","","1.155","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335825","16.1027","0.0007","12.315","0.0006","15.6403","0.0008","90","","103.027","0.003","90","","3021.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 P2 S2 Sn -","- C28 H44 P2 S2 Sn -","- C112 H176 P8 S8 Sn4 -","4","1","","Brian M. Barry; Benjamin W. Stein; Christopher A. Larsen; Melissa N. Wirtz; William E. Geiger; Rory Waterman; Richard A. Kemp","Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability","Inorganic Chemistry","2013","52","","9875","9884","10.1021/ic400990n","","","0.71073","MoKα","","0.0895","0.0635","","","0.149","0.1674","","","","","","1.086","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4335826","9.7365","0.0011","9.8591","0.0011","19.28","0.002","100.037","0.004","90.502","0.004","118.155","0.004","1597.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 P2 S2 Sn -","- C36 H28 P2 S2 Sn -","- C72 H56 P4 S4 Sn2 -","2","1","","Brian M. Barry; Benjamin W. Stein; Christopher A. Larsen; Melissa N. Wirtz; William E. Geiger; Rory Waterman; Richard A. Kemp","Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability","Inorganic Chemistry","2013","52","","9875","9884","10.1021/ic400990n","","","0.71073","MoKα","","0.0387","0.0292","","","0.0707","0.0734","","","","","","1.094","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335827","17.6554","0.0015","12.5442","0.001","14.4723","0.0011","90","","113.782","0.005","90","","2933.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 O2 P2 Sn -","- C28 H44 O2 P2 Sn -","- C112 H176 O8 P8 Sn4 -","4","1","","Brian M. Barry; Benjamin W. Stein; Christopher A. Larsen; Melissa N. Wirtz; William E. Geiger; Rory Waterman; Richard A. Kemp","Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability","Inorganic Chemistry","2013","52","","9875","9884","10.1021/ic400990n","","","0.71073","MoKα","","0.1331","0.0618","","","0.1466","0.1839","","","","","","1.021","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335828","11.6851","0.0006","15.2737","0.0009","15.4587","0.0009","90","","96.519","0.003","90","","2741.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 P2 Pb S2 -","- C24 H36 P2 Pb S2 -","- C96 H144 P8 Pb4 S8 -","4","1","","Brian M. Barry; Benjamin W. Stein; Christopher A. Larsen; Melissa N. Wirtz; William E. Geiger; Rory Waterman; Richard A. Kemp","Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability","Inorganic Chemistry","2013","52","","9875","9884","10.1021/ic400990n","","","0.71073","MoKα","","0.0328","0.0219","","","0.0527","0.0633","","","","","","1.208","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335829","12.6418","0.0002","15.5866","0.0003","16.0995","0.0003","90","","106.751","0.001","90","","3037.68","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H44 P2 Pb S2 -","- C28 H44 P2 Pb S2 -","- C112 H176 P8 Pb4 S8 -","4","1","","Brian M. Barry; Benjamin W. Stein; Christopher A. Larsen; Melissa N. Wirtz; William E. Geiger; Rory Waterman; Richard A. Kemp","Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability","Inorganic Chemistry","2013","52","","9875","9884","10.1021/ic400990n","","","0.71073","MoKα","","0.0263","0.0221","","","0.0485","0.0499","","","","","","1.051","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335830","9.001","0.0003","10.4139","0.0004","13.3513","0.0005","87.573","0.002","74.666","0.002","76.296","0.002","1172.3","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cl P S Sn -","- C24 H28 Cl P S Sn -","- C48 H56 Cl2 P2 S2 Sn2 -","2","1","","Brian M. Barry; Benjamin W. Stein; Christopher A. Larsen; Melissa N. Wirtz; William E. Geiger; Rory Waterman; Richard A. Kemp","Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability","Inorganic Chemistry","2013","52","","9875","9884","10.1021/ic400990n","","","0.71073","MoKα","","0.0482","0.0326","","","0.078","0.0939","","","","","","0.969","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335831","9.0291","0.0009","18.6489","0.0019","15.7053","0.0014","90","","101.863","0.006","90","","2588","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H32 Cl P S Sn -","- C26 H32 Cl P S Sn -","- C104 H128 Cl4 P4 S4 Sn4 -","4","1","","Brian M. Barry; Benjamin W. Stein; Christopher A. Larsen; Melissa N. Wirtz; William E. Geiger; Rory Waterman; Richard A. Kemp","Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability","Inorganic Chemistry","2013","52","","9875","9884","10.1021/ic400990n","","","0.71073","MoKα","","0.1102","0.0501","","","0.1276","0.202","","","","","","1.097","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335832","11.411","0.0016","17.15","0.002","22.365","0.002","78.62","0.007","89.925","0.007","82.993","0.008","4257.5","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 B P S Sn -","- C50 H52 B P S Sn -","- C200 H208 B4 P4 S4 Sn4 -","4","2","","Brian M. Barry; Benjamin W. Stein; Christopher A. Larsen; Melissa N. Wirtz; William E. Geiger; Rory Waterman; Richard A. Kemp","Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability","Inorganic Chemistry","2013","52","","9875","9884","10.1021/ic400990n","","","0.71073","MoKα","","0.0864","0.0549","","","0.1442","0.2006","","","","","","1.136","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4335833","15.5955","0.0003","25.8259","0.0005","19.8326","0.0003","90","","98.763","0.002","90","","7894.7","0.2","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 Cl F6 N7 P Ru -","- C41 H41 Cl F6 N7 P Ru -","- C328 H328 Cl8 F48 N56 P8 Ru8 -","8","2","","Lai-Hon Chung; Ka-Sin Cho; Jason England; Siu-Chung Chan; Karl Wieghardt; Chun-Yuen Wong","Ruthenium(II) and Osmium(II) Complexes Bearing Bipyridine and the N-Heterocyclic Carbene-Based C^N^C Pincer Ligand: An Experimental and Density Functional Theory Study","Inorganic Chemistry","2013","52","","9885","9896","10.1021/ic4010196","","","1.54178","CuKα","","0.0336","0.0302","","","0.0783","0.0812","","","","","","1.04","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335834","14.6938","0.0003","13.259","0.0002","18.1811","0.0004","90","","104.294","0.002","90","","3432.48","0.12","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H37 Cl F6 N7 P Ru -","- C31 H37 Cl F6 N7 P Ru -","- C124 H148 Cl4 F24 N28 P4 Ru4 -","4","1","","Lai-Hon Chung; Ka-Sin Cho; Jason England; Siu-Chung Chan; Karl Wieghardt; Chun-Yuen Wong","Ruthenium(II) and Osmium(II) Complexes Bearing Bipyridine and the N-Heterocyclic Carbene-Based C^N^C Pincer Ligand: An Experimental and Density Functional Theory Study","Inorganic Chemistry","2013","52","","9885","9896","10.1021/ic4010196","","","1.54178","CuKα","","0.0483","0.0457","","","0.1186","0.121","","","","","","1.037","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335835","14.3684","0.0003","14.3026","0.0003","18.8843","0.0004","90","","103.295","0.002","90","","3776.82","0.14","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 Cl F6 N8 O2 P Ru -","- C38 H40 Cl F6 N8 O2 P Ru -","- C152 H160 Cl4 F24 N32 O8 P4 Ru4 -","4","1","","Lai-Hon Chung; Ka-Sin Cho; Jason England; Siu-Chung Chan; Karl Wieghardt; Chun-Yuen Wong","Ruthenium(II) and Osmium(II) Complexes Bearing Bipyridine and the N-Heterocyclic Carbene-Based C^N^C Pincer Ligand: An Experimental and Density Functional Theory Study","Inorganic Chemistry","2013","52","","9885","9896","10.1021/ic4010196","","","1.54178","CuKα","","0.0287","0.0242","","","0.0591","0.0616","","","","","","1.056","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335836","14.2963","0.0003","14.3623","0.0003","18.9101","0.0004","90","","103.664","0.002","90","","3772.88","0.14","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H40 Cl F6 N8 Os P -","- C39 H40 Cl F6 N8 Os P -","- C156 H160 Cl4 F24 N32 Os4 P4 -","4","1","","Lai-Hon Chung; Ka-Sin Cho; Jason England; Siu-Chung Chan; Karl Wieghardt; Chun-Yuen Wong","Ruthenium(II) and Osmium(II) Complexes Bearing Bipyridine and the N-Heterocyclic Carbene-Based C^N^C Pincer Ligand: An Experimental and Density Functional Theory Study","Inorganic Chemistry","2013","52","","9885","9896","10.1021/ic4010196","","","1.54178","CuKα","","0.0252","0.0194","","","0.0469","0.0513","","","","","","1.052","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335837","12.005","0.005","15.175","0.006","15.328","0.006","90.996","0.004","103.295","0.007","102.179","0.006","2650","1.8","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 F4 N6 O12 Ru2 -","- C54 H50 F4 N6 O12 Ru2 -","- C108 H100 F8 N12 O24 Ru4 -","2","1","","Wataru Kosaka; Naoto Yamamoto; Hitoshi Miyasaka","Axial-Site Modifications of Paddlewheel Diruthenium(II, II) Complexes Supported by Hydrogen Bonding","Inorganic Chemistry","2013","52","","9908","9914","10.1021/ic401030r","","","0.71075","MoKα","","","0.0588","","","","0.1763","","","","","","1.204","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335838","10.862","0.001","11.1346","0.0013","12.01","0.0011","88.673","0.005","66.807","0.003","88.484","0.005","1334.6","0.2","97","","97","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H62 F4 N6 O12 Ru2 -","- C54 H44 F4 N6 O12 Ru2 -","- C54 H44 F4 N6 O12 Ru2 -","1","0.5","","Wataru Kosaka; Naoto Yamamoto; Hitoshi Miyasaka","Axial-Site Modifications of Paddlewheel Diruthenium(II, II) Complexes Supported by Hydrogen Bonding","Inorganic Chemistry","2013","52","","9908","9914","10.1021/ic401030r","","","0.71075","MoKα","","","0.0414","","","","0.1064","","","","","","1.031","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335839","12.6139","0.0015","15.0464","0.0018","21.891","0.003","90","","100.346","0.0014","90","","4087.2","0.9","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 Cl2 F4 N6 O8 Ru2 -","- C39 H30 Cl2 F4 N6 O8 Ru2 -","- C156 H120 Cl8 F16 N24 O32 Ru8 -","4","1","","Wataru Kosaka; Naoto Yamamoto; Hitoshi Miyasaka","Axial-Site Modifications of Paddlewheel Diruthenium(II, II) Complexes Supported by Hydrogen Bonding","Inorganic Chemistry","2013","52","","9908","9914","10.1021/ic401030r","","","0.71075","MoKα","","","0.029","","","","0.0723","","","","","","1.055","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335840","10.035","0.002","10.492","0.002","18.48","0.004","91.041","0.004","95.394","0.003","96.821","0.004","1922.5","0.7","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 F4 N4 O8 Ru2 -","- C42 H17 F4 N4 O8 Ru2 -","- C84 H34 F8 N8 O16 Ru4 -","2","1","","Wataru Kosaka; Naoto Yamamoto; Hitoshi Miyasaka","Axial-Site Modifications of Paddlewheel Diruthenium(II, II) Complexes Supported by Hydrogen Bonding","Inorganic Chemistry","2013","52","","9908","9914","10.1021/ic401030r","","","0.71075","MoKα","","","0.057","","","","0.1575","","","","","","1.093","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335841","10.772","0.006","10.99","0.006","12.679","0.006","109.196","0.011","98.278","0.008","95.473","0.008","1386.3","1.3","123","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H56 F4 N6 O12 Pd Ru2 S4 -","- C48 H52 F4 N6 O12 Pd Ru2 S4 -","- C48 H52 F4 N6 O12 Pd Ru2 S4 -","1","0.5","","Wataru Kosaka; Naoto Yamamoto; Hitoshi Miyasaka","Axial-Site Modifications of Paddlewheel Diruthenium(II, II) Complexes Supported by Hydrogen Bonding","Inorganic Chemistry","2013","52","","9908","9914","10.1021/ic401030r","","","0.7107","MoKα","","","0.0281","","","","0.0884","","","","","","1.142","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335842","10.782","0.004","10.984","0.005","12.705","0.006","109.14","0.009","98.155","0.008","95.588","0.006","1390.3","1.1","113","","113","","","","","","","","","8","P -1","-P 1","2","","","","- C48 H56 F4 N6 O12 Pt Ru2 S4 -","- C48 H52 F4 N6 O12 Pt Ru2 S4 -","- C48 H52 F4 N6 O12 Pt Ru2 S4 -","1","0.5","","Wataru Kosaka; Naoto Yamamoto; Hitoshi Miyasaka","Axial-Site Modifications of Paddlewheel Diruthenium(II, II) Complexes Supported by Hydrogen Bonding","Inorganic Chemistry","2013","52","","9908","9914","10.1021/ic401030r","","","0.7107","MoKα","","","0.0385","","","","0.0911","","","","","","0.981","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335843","9.2357","0.0003","9.2357","0.0003","13.9563","0.0011","90","","90","","90","","1190.45","0.11","100","2","100","2","","","","","","","","6","P 43","P 4cw","78","","c,c,t-diammindichlorodipropanatoplatinum(IV)","","- C6 H16 Cl2 N2 O4 Pt -","- C6 H16 Cl2 N2 O4 Pt -","- C24 H64 Cl8 N8 O16 Pt4 -","4","1","","Timothy C. Johnstone; Stephen J. Lippard","The Effect of Ligand Lipophilicity on the Nanoparticle Encapsulation of Pt(IV) Prodrugs","Inorganic Chemistry","2013","52","","9915","9920","10.1021/ic4010642","","","0.71073","MoKα","","0.0168","0.0167","","","0.0371","0.0371","","","","","","1.065","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335844","7.2454","0.0007","10.2263","0.001","14.0657","0.0014","72.516","0.002","81.044","0.002","69.485","0.002","929.51","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","c,c,t-diamminedichlorodiacetatoplatinum(IV) DMSO solvate","","- C8 H18 Cl2 N2 O6 Pt S2 -","- C8 H18 Cl2 N2 O6 Pt S2 -","- C16 H36 Cl4 N4 O12 Pt2 S4 -","2","1","","Timothy C. Johnstone; Stephen J. Lippard","The Effect of Ligand Lipophilicity on the Nanoparticle Encapsulation of Pt(IV) Prodrugs","Inorganic Chemistry","2013","52","","9915","9920","10.1021/ic4010642","","","0.71073","MoKα","","0.0365","0.0342","","","0.0879","0.0912","","","","","","1.308","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335845","22.676","0.008","11.281","0.004","5.1022","0.0016","90","","90","","90","","1305.2","0.8","173.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H11 N5 O2 S -","- C14 H11 N5 O2 S -","- C56 H44 N20 O8 S4 -","4","1","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0648","","","","0.1211","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335846","17.942","0.003","7.3043","0.0013","20.557","0.004","90","","103.021","0.002","90","","2624.8","0.8","173.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H15 K2 N9 O4 S2 -","- C26 H12 K2 N9 O4 S2 -","- C104 H48 K8 N36 O16 S8 -","4","0.5","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0344","","","","0.1009","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335847","9.83","0.0017","19.415","0.003","13.021","0.002","90","","111.173","0.002","90","","2317.3","0.6","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 N8 O4 Rb S2 -","- C24 H12 N8 O4 Rb S2 -","- C96 H48 N32 O16 Rb4 S8 -","4","1","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0544","","","","0.1399","","","","","","1.09","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335848","28.5168","0.0005","28.5168","0.0005","8.2245","0.0002","90","","90","","120","","5792.2","0.2","173.1","","","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H36 Cl Cs7 N24 O16 S6 -","- C72 H36 Cl Cs7 N24 O16 S6 -","- C216 H108 Cl3 Cs21 N72 O48 S18 -","3","0.166667","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0241","","","","0.0531","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335849","7.4094","0.0016","9.741","0.002","12.5","0.003","105.596","0.0018","93.308","0.003","112.347","0.0016","790.6","0.3","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 I N6 O2 S -","- C12 H14 I N6 O2 S -","- C24 H28 I2 N12 O4 S2 -","2","1","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0207","","","","0.0519","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335850","15.728","0.006","6.839","0.002","18.464","0.007","90","","90","","90","","1986.1","1.2","173.1","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H18 N7 O2 S -","- C20 H15 N7 O2 S -","- C80 H60 N28 O8 S4 -","4","0.5","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0885","","","","0.1925","","","","","","1.233","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335851","9.5341","0.0015","9.5341","0.0015","14.075","0.002","90","","90","","90","","1279.4","0.3","173.1","","","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H8 N4 O4 S -","- C13 H6 N4 O4 S -","- C52 H24 N16 O16 S4 -","4","0.5","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0353","","","","0.0956","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335852","13.83","0.005","11.906","0.004","9.224","0.003","90","","123.407","0.003","90","","1267.9","0.8","173.1","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C26 H14 N8 O8 S2 -","- C26 H12 N8 O8 S2 -","- C52 H24 N16 O16 S4 -","2","0.25","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0376","","","","0.1051","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335853","9.8566","0.0017","15.671","0.003","9.8185","0.0017","90","","113.829","0.002","90","","1387.3","0.4","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 N8 O6 S2 -","- C30 H18 N8 O6 S2 -","- C60 H36 N16 O12 S4 -","2","0.5","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0397","","","","0.1083","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335854","29.796","0.007","6.3668","0.0013","16.569","0.004","90","","109.054","0.003","90","","2971","1.2","173.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 I N5 O2 S -","- C12 H10 I N5 O2 S -","- C96 H80 I8 N40 O16 S8 -","8","1","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0263","","","","0.0771","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335855","14.939","0.003","9.3512","0.0019","19.626","0.004","90","","109.934","0.003","90","","2577.4","0.9","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H12 K N9 O4 S3 -","- C25 H12 K N9 O4 S3 -","- C100 H48 K4 N36 O16 S12 -","4","1","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0521","","","","0.1296","","","","","","1.135","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335856","17.43","0.003","7.408","0.0012","19.348","0.003","90","","90","","90","","2498.2","0.7","173.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N4 O4 S -","- C12 H12 N4 O4 S -","- C96 H96 N32 O32 S8 -","8","1","","Yoshiaki Shuku; Rie Suizu; Alex Domingo; Carmen J. Calzado; Vincent Robert; Kunio Awaga","Multidimensional Network Structures and Versatile Magnetic Properties of Intermolecular Compounds of a Radical-Anion Ligand, [1,2,5]Thiadiazolo[3,4-f][1,10]phenanthroline 1,1-Dioxide","Inorganic Chemistry","2013","52","","9921","9930","10.1021/ic401078z","","","0.7107","MoKα","","","0.0561","","","","0.1413","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335857","15.408","0.003","18.837","0.004","20.55","0.004","90","","100.76","0.03","90","","5860","2","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C109.2 H90 N15.6 O34 Ti8 -","- C109.2 H90 N15.6 O34 Ti8 -","- C218.4 H180 N31.2 O68 Ti16 -","2","0.5","","Keunil Hong; Hyungphil Chun","Nonporous Titanium-Oxo Molecular Clusters That Reversibly and Selectively Adsorb Carbon Dioxide","Inorganic Chemistry","2013","52","","9705","9707","10.1021/ic401122u","","","0.70001","Synchrotron","","0.0927","0.0751","","","0.2117","0.2303","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335858","13.33","0.003","13.764","0.003","14.337","0.003","83.34","0.03","89.55","0.03","61.46","0.03","2291.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H118 N6 O29 Ti6 -","- C75 H118 N6 O29 Ti6 -","- C75 H118 N6 O29 Ti6 -","1","0.5","","Keunil Hong; Hyungphil Chun","Nonporous Titanium-Oxo Molecular Clusters That Reversibly and Selectively Adsorb Carbon Dioxide","Inorganic Chemistry","2013","52","","9705","9707","10.1021/ic401122u","","","0.74999","Synchrotron","","0.0612","0.0549","","","0.1608","0.1669","","","","","","1.081","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335859","19.574","0.002","19.574","0.002","19.574","0.002","90","","90","","90","","7499.6","1.3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C60 H78 N6 O24 Ti6 -","- C60 H78 N6 O24 Ti6 -","- C240 H312 N24 O96 Ti24 -","4","0.166667","","Keunil Hong; Hyungphil Chun","Nonporous Titanium-Oxo Molecular Clusters That Reversibly and Selectively Adsorb Carbon Dioxide","Inorganic Chemistry","2013","52","","9705","9707","10.1021/ic401122u","","","0.85","Synchrotron","","0.1032","0.0889","","","0.2654","0.2861","","","","","","1.134","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335860","12.0544","0.0013","14.486","0.0016","20.215","0.002","110.795","0.002","94.681","0.002","93.04","0.002","3276.2","0.6","290","2","290","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H29 F12 N11 O P2 Ru -","- C24 H29 F12 N11 O P2 Ru -","- C96 H116 F48 N44 O4 P8 Ru4 -","4","2","","Natalia Busto; Jesús Valladolid; Marta Martínez-Alonso; Héctor J. Lozano; Félix A. Jalón; Blanca R. Manzano; A. M. Rodríguez; M. Carmen Carrión; Tarita Biver; José M. Leal; Gustavo Espino; Begoña García","Anticancer Activity and DNA Binding of a Bifunctional Ru(II) Arene Aqua-Complex with the 2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine Ligand","Inorganic Chemistry","2013","52","","9962","9974","10.1021/ic401197a","","","0.71073","MoKα","","0.0595","0.0441","","","0.1038","0.1149","","","","","","1.026","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335861","8.92","0.0018","11.003","0.002","12.044","0.002","92.951","0.003","94.387","0.003","96.803","0.003","1168.1","0.4","290","2","290","2","","","","","","","","8","P -1","-P 1","2","","","","- C18 H23 Cl F6 N6 O0.5 P Ru -","- C18 H23 Cl F6 N6 O0.5 P Ru -","- C36 H46 Cl2 F12 N12 O P2 Ru2 -","2","1","","Natalia Busto; Jesús Valladolid; Marta Martínez-Alonso; Héctor J. Lozano; Félix A. Jalón; Blanca R. Manzano; A. M. Rodríguez; M. Carmen Carrión; Tarita Biver; José M. Leal; Gustavo Espino; Begoña García","Anticancer Activity and DNA Binding of a Bifunctional Ru(II) Arene Aqua-Complex with the 2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine Ligand","Inorganic Chemistry","2013","52","","9962","9974","10.1021/ic401197a","","","0.71073","MoKα","","0.0974","0.0772","","","0.1438","0.152","","","","","","1.159","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335862","15.0596","0.0016","12.711","0.0013","27.968","0.003","90","","102.008","0.004","90","","5236.6","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C51 H56.5 B2 Co F8 N5.5 P4 -","- C46 H49 B2 Co F8 N3 P4 -","- C184 H196 B8 Co4 F32 N12 P16 -","4","1","","Eric S. Wiedner; John A. S. Roberts; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois; R. Morris Bullock","Synthesis and Electrochemical Studies of Cobalt(III) Monohydride Complexes Containing Pendant Amines","Inorganic Chemistry","2013","52","","9975","9988","10.1021/ic401232g","","","0.71073","MoKα","","0.0574","0.0403","","","0.0963","0.102","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335863","10.8932","0.0011","15.0777","0.0015","16.3551","0.0016","77.462","0.003","89.678","0.003","77.98","0.004","2562.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H59 B2 Co F8 N5 P4 -","- C52 H59 B2 Co F8 N5 P4 -","- C104 H118 B4 Co2 F16 N10 P8 -","2","1","","Eric S. Wiedner; John A. S. Roberts; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois; R. Morris Bullock","Synthesis and Electrochemical Studies of Cobalt(III) Monohydride Complexes Containing Pendant Amines","Inorganic Chemistry","2013","52","","9975","9988","10.1021/ic401232g","","","0.71073","MoKα","","0.0605","0.0413","","","0.103","0.1123","","","","","","1.03","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335864","20.6942","0.0008","18.8403","0.0007","12.7507","0.0005","90","","102.536","0.002","90","","4852.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H53 B2 Co F8 N4 P4 -","- C48 H53 B2 Co F8 N4 P4 -","- C192 H212 B8 Co4 F32 N16 P16 -","4","1","","Eric S. Wiedner; John A. S. Roberts; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois; R. Morris Bullock","Synthesis and Electrochemical Studies of Cobalt(III) Monohydride Complexes Containing Pendant Amines","Inorganic Chemistry","2013","52","","9975","9988","10.1021/ic401232g","","","0.71073","MoKα","","0.0717","0.0417","","","0.0953","0.1093","","","","","","1.008","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335865","10.9586","0.0006","15.1166","0.0009","16.281","0.001","77.138","0.002","88.229","0.002","77.438","0.002","2566","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H60 B2 Co F8 N5 P4 -","- C52 H60 B2 Co F8 N5 P4 -","- C104 H120 B4 Co2 F16 N10 P8 -","2","1","","Eric S. Wiedner; John A. S. Roberts; William G. Dougherty; W. Scott Kassel; Daniel L. DuBois; R. Morris Bullock","Synthesis and Electrochemical Studies of Cobalt(III) Monohydride Complexes Containing Pendant Amines","Inorganic Chemistry","2013","52","","9975","9988","10.1021/ic401232g","","","0.71073","MoKα","","0.051","0.0362","","","0.0878","0.095","","","","","","1.035","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335866","35.874","0.001","26.481","0.001","14.684","0.001","90","","100.879","0.01","90","","13698.8","1.2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 Dy6 F24 N4 O36 P12 S16 -","- C40 H46 Dy6 F24 N4 O36 P12 S16 -","- C160 H184 Dy24 F96 N16 O144 P48 S64 -","4","0.5","","Tamyris T. da Cunha; Fabrice Pointillart; Boris Le Guennic; Cynthia L. M. Pereira; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","Difluorodioxophosphate-Based Hollow Hexanuclear Lanthanide(III) Clusters Decorated with Tetrathiafulvalene Ligands","Inorganic Chemistry","2013","52","","9711","9713","10.1021/ic4012839","","","0.71073","MoKα","","0.1003","0.0541","","","0.1364","0.1529","","","","","","1.026","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335867","35.7804","0.0017","26.4651","0.0012","14.4391","0.0007","90","","101.895","0.002","90","","13379.2","1.1","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 F24 N4 O36 P12 S16 Yb6 -","- C40 H46 F24 N4 O36 P12 S16 Yb6 -","- C160 H184 F96 N16 O144 P48 S64 Yb24 -","4","0.5","","Tamyris T. da Cunha; Fabrice Pointillart; Boris Le Guennic; Cynthia L. M. Pereira; Stéphane Golhen; Olivier Cador; Lahcène Ouahab","Difluorodioxophosphate-Based Hollow Hexanuclear Lanthanide(III) Clusters Decorated with Tetrathiafulvalene Ligands","Inorganic Chemistry","2013","52","","9711","9713","10.1021/ic4012839","","","0.71073","MoKα","","0.1223","0.0601","","","0.1601","0.1779","","","","","","0.953","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335868","26.6207","0.001","25.833","0.001","9.0398","0.0004","90","","90","","90","","6216.6","0.4","90","2","90","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C18.67 H17.33 Mn0.67 N1.33 O5.67 S1.33 -","- C18.6667 H17.3333 Mn0.666667 N1.33333 O5.698 S1.33333 -","- C224 H208 Mn8 N16 O68.376 S16 -","12","1.5","","Lyndsey D. Earl; Brian O. Patrick; Michael O. Wolf","Synthesis, Structure, and Magnetic Properties of Bithiophene- and Terthiophene-Linked Manganese Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","10021","10030","10.1021/ic401305c","","","1.54178","CuKα","","0.0999","0.0706","","","0.1718","0.1862","","","","","","1.11","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335869","18.515","0.002","57.377","0.005","48.822","0.005","90","","90","","90","","51865","9","90","2","90","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C71 H95.5 Mn3 N1.5 O16 S6 -","- C71 H95.5 Mn3 N1.5 O16 S6 -","- C1136 H1528 Mn48 N24 O256 S96 -","16","2","","Lyndsey D. Earl; Brian O. Patrick; Michael O. Wolf","Synthesis, Structure, and Magnetic Properties of Bithiophene- and Terthiophene-Linked Manganese Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","10021","10030","10.1021/ic401305c","","","1.54178","CuKα","","0.1231","0.0886","","","0.2363","0.2588","","","","","","0.963","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335870","6.5962","0.0005","7.1987","0.0007","32.446","0.002","90","","90","","90","","1540.7","0.2","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H6 Mn O6 S3 -","- C14 H6 Mn O6 S3 -","- C56 H24 Mn4 O24 S12 -","4","1","","Lyndsey D. Earl; Brian O. Patrick; Michael O. Wolf","Synthesis, Structure, and Magnetic Properties of Bithiophene- and Terthiophene-Linked Manganese Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","10021","10030","10.1021/ic401305c","","","1.54178","CuKα","","0.0844","0.0775","","","0.2063","0.2115","","","","","","1.096","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335871","35.442","0.008","7.6573","0.0016","11.038","0.002","90","","97.618","0.004","90","","2969.2","1.1","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Mn O5.5 S3 -","- C14 H9 Mn O5.5 S3 -","- C112 H72 Mn8 O44 S24 -","8","1","","Lyndsey D. Earl; Brian O. Patrick; Michael O. Wolf","Synthesis, Structure, and Magnetic Properties of Bithiophene- and Terthiophene-Linked Manganese Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","10021","10030","10.1021/ic401305c","","","0.71073","MoKα","","0.0927","0.0671","","","0.1561","0.1729","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335872","9.1891","0.0005","10.1201","0.0006","16.8042","0.001","95.405","0.003","91.005","0.002","97.203","0.003","1542.79","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Mn N2 O6 S3 -","- C32 H28 Mn N2 O6 S3 -","- C64 H56 Mn2 N4 O12 S6 -","2","1","","Lyndsey D. Earl; Brian O. Patrick; Michael O. Wolf","Synthesis, Structure, and Magnetic Properties of Bithiophene- and Terthiophene-Linked Manganese Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","10021","10030","10.1021/ic401305c","","","0.71073","MoKα","","0.0349","0.0288","","","0.0685","0.0721","","","","","","1.034","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335873","9.0674","0.0006","6.565","0.0005","11.2571","0.0008","90","","95.291","0.001","90","","667.25","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 Cs N O4 -","- C15 H10 Cs N O4 -","- C30 H20 Cs2 N2 O8 -","2","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0237","0.0233","","","0.0546","0.0548","","","","","","1.096","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335874","6.8979","0.0005","14.3515","0.001","14.5164","0.001","90","","90","","90","","1437.05","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 K N O5 -","- C16 H14 K N O5 -","- C64 H56 K4 N4 O20 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.029","0.0277","","","0.0721","0.0727","","","","","","1.07","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335875","6.952","0.0007","13.2676","0.0013","14.9719","0.0015","90","","90","","90","","1381","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 K N O5 -","- C15 H12 K N O5 -","- C60 H48 K4 N4 O20 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0321","0.0296","","","0.0748","0.0766","","","","","","1.056","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335876","6.874","0.002","12.842","0.004","15.052","0.004","90","","90","","90","","1328.7","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10.58 K N O4.29 -","- C15 H10 K N O4.291 -","- C60 H40 K4 N4 O17.164 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0489","0.0439","","","0.1085","0.111","","","","","","1.088","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335877","6.9573","0.0008","13.2547","0.0016","14.9774","0.0018","90","","90","","90","","1381.2","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 K N O5 -","- C15 H12 K N O5 -","- C60 H48 K4 N4 O20 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0287","0.0279","","","0.0739","0.0744","","","","","","1.077","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335878","6.9818","0.0007","11.8361","0.0013","15.5125","0.0017","90","","90","","90","","1281.9","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N Na O5 -","- C15 H12 N Na O5 -","- C60 H48 N4 Na4 O20 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0332","0.0322","","","0.083","0.0841","","","","","","1.06","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335879","6.9329","0.0013","12.061","0.002","14.777","0.003","90","","90","","90","","1235.6","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 N Na O4 -","- C15 H10 N Na O4 -","- C60 H40 N4 Na4 O16 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0566","0.0522","","","0.1306","0.1331","","","","","","1.119","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335880","6.958","0.003","11.856","0.005","15.433","0.007","90","","90","","90","","1273.1","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N Na O5 -","- C15 H10 N Na O5 -","- C60 H40 N4 Na4 O20 -","4","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0768","0.0704","","","0.178","0.1816","","","","","","1.174","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335881","8.705","0.0005","6.6081","0.0004","11.1731","0.0007","90","","99.1048","0.001","90","","634.62","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 K N O5 -","- C15 H10 K N O5 -","- C30 H20 K2 N2 O10 -","2","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0318","0.0311","","","0.0819","0.0824","","","","","","1.102","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335882","9.2965","0.0012","6.6108","0.0009","11.2603","0.0015","90","","99.668","0.002","90","","682.2","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 Cs N O5 -","- C15 H10 Cs N O5 -","- C30 H20 Cs2 N2 O10 -","2","1","","Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani","Homochiral Helical Metal-Organic Frameworks of Group 1 Metals","Inorganic Chemistry","2013","52","","10041","10051","10.1021/ic401327h","","","0.71073","MoKα","","0.0242","0.0233","","","0.0552","0.0557","","","","","","1.065","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335883","13.7991","0.0002","13.7991","0.0002","9.0281","0.0003","90","","90","","120","","1488.77","0.06","130","2","130","2","","","","","","","","7","P 3","P 3","143","","","","- C54 H29 Cl6 Cr Mn N6 O14 -","- C54 H28.998 Cl6 Cr Mn N6 O14 -","- C54 H28.998 Cl6 Cr Mn N6 O14 -","1","0.333333","","Matteo Atzori; Samia Benmansour; Guillermo Mínguez Espallargas; Miguel Clemente-León; Alexandre Abhervé; Patricia Gómez-Claramunt; Eugenio Coronado; Flavia Artizzu; Elisa Sessini; Paola Deplano; Angela Serpe; Maria Laura Mercuri; Carlos J. Gómez García","A Family of Layered Chiral Porous Magnets Exhibiting Tunable Ordering Temperatures","Inorganic Chemistry","2013","52","","10031","10040","10.1021/ic4013284","","","0.71073","MoKα","","0.0687","0.0559","","","0.162","0.1763","","","","","","1.11","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335884","13.7999","0.0005","13.7999","0.0005","9.2118","0.0006","90","","90","","120","","1519.24","0.13","120","2","120","2","","","","","","","","7","P -3 1 m","-P 3 2","162","","","","- C60 H41 Br6 Cr Mn N6 O16 -","- C61.94 H29.04 Br6 Cr Mn N6 O17.06 -","- C61.94 H29.04 Br6 Cr Mn N6 O17.06 -","1","0.0833333","","Matteo Atzori; Samia Benmansour; Guillermo Mínguez Espallargas; Miguel Clemente-León; Alexandre Abhervé; Patricia Gómez-Claramunt; Eugenio Coronado; Flavia Artizzu; Elisa Sessini; Paola Deplano; Angela Serpe; Maria Laura Mercuri; Carlos J. Gómez García","A Family of Layered Chiral Porous Magnets Exhibiting Tunable Ordering Temperatures","Inorganic Chemistry","2013","52","","10031","10040","10.1021/ic4013284","","","0.71073","MoKα","","0.1542","0.1352","","","0.3034","0.3272","","","","","","1.24","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335885","13.9147","0.0002","13.9147","0.0002","9.1747","0.0004","90","","90","","120","","1538.4","0.07","120","2","120","2","","","","","","","","7","P -3 1 m","-P 3 2","162","","","","- C54 H29 Br6 Fe Mn N6 O14 -","- C54 H28.98 Br6 Fe Mn N6 O14 -","- C54 H28.98 Br6 Fe Mn N6 O14 -","1","0.0833333","","Matteo Atzori; Samia Benmansour; Guillermo Mínguez Espallargas; Miguel Clemente-León; Alexandre Abhervé; Patricia Gómez-Claramunt; Eugenio Coronado; Flavia Artizzu; Elisa Sessini; Paola Deplano; Angela Serpe; Maria Laura Mercuri; Carlos J. Gómez García","A Family of Layered Chiral Porous Magnets Exhibiting Tunable Ordering Temperatures","Inorganic Chemistry","2013","52","","10031","10040","10.1021/ic4013284","","","0.71073","MoKα","","0.0673","0.0557","","","0.2048","0.2157","","","","","","1.153","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335886","13.776","0.005","23.339","0.005","16.833","0.005","90","0.005","101.476","0.005","90","0.005","5304","3","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 Cl6 Cr Mn N O12 -","- C34 Cl6 Cr Mn N O12 -","- C136 Cl24 Cr4 Mn4 N4 O48 -","4","0.5","","Matteo Atzori; Samia Benmansour; Guillermo Mínguez Espallargas; Miguel Clemente-León; Alexandre Abhervé; Patricia Gómez-Claramunt; Eugenio Coronado; Flavia Artizzu; Elisa Sessini; Paola Deplano; Angela Serpe; Maria Laura Mercuri; Carlos J. Gómez García","A Family of Layered Chiral Porous Magnets Exhibiting Tunable Ordering Temperatures","Inorganic Chemistry","2013","52","","10031","10040","10.1021/ic4013284","","","0.71073","","","0.2755","0.1584","","","0.4282","0.4721","","","","","","1.302","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335887","10.814","0.002","14.744","0.003","16.812","0.003","90","","96.75","0.03","90","","2662","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 B Cl2 F2 N5 O -","- C26 H26 B Cl2 F2 N5 O -","- C104 H104 B4 Cl8 F8 N20 O4 -","4","1","","Olga G. Tsay; Sudesh T. Manjare; Hyungjun Kim; Kang Mun Lee; Yoon Sup Lee; David G. Churchill","Novel Reversible Zn2±Assisted Biological Phosphate ""Turn-On"" Probing through Stable Aryl-hydrazone Salicylaldimine Conjugation That Attenuates Ligand Hydrolysis","Inorganic Chemistry","2013","52","","10052","10061","10.1021/ic4013526","","","0.71073","MoKα","","0.0902","0.049","","","0.1335","0.1622","","","","","","1.029","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335888","7.1789","0.0001","18.0925","0.0002","12.6972","0.0002","90","","90","","90","","1649.17","0.04","298","0.2","298","0.2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- Ga2 H3 O14 Rb3 Se4 -","- Ga2 O14 Rb3 Se4 -","- Ga8 O56 Rb12 Se16 -","4","","","Dong Woo Lee; Kang Min Ok","New Selenites: Hydrothermal Syntheses, Crystal Structures, and Characterization of Rb3HGa2(OH)2(SeO3)4, Rb3Ga5(SeO3)8(HSeO3)2.0.5H2O, and RbGa(SeO3)2.H2O","Inorganic Chemistry","2013","52","","10080","10086","10.1021/ic4013894","","","0.71073","MoKα","","0.0358","0.031","","","0.0839","0.0856","","","","","","1.068","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335889","10.7727","0.0002","12.5372","0.0003","12.6952","0.0003","87.21","0.01","85.447","0.01","72.519","0.01","1629.7","0.11","298","0.2","298","0.2","","","","","","","","5","P -1","-P 1","2","","","","- Ga5 H3 O30.5 Rb3 Se10 -","- Ga5 O30.5 Rb3 Se10 -","- Ga10 O61 Rb6 Se20 -","2","1","","Dong Woo Lee; Kang Min Ok","New Selenites: Hydrothermal Syntheses, Crystal Structures, and Characterization of Rb3HGa2(OH)2(SeO3)4, Rb3Ga5(SeO3)8(HSeO3)2.0.5H2O, and RbGa(SeO3)2.H2O","Inorganic Chemistry","2013","52","","10080","10086","10.1021/ic4013894","","","0.71073","MoKα","","0.0629","0.0423","","","0.1093","0.1164","","","","","","1.05","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335890","8.7027","0.0006","9.7622","0.0007","15.3347","0.0014","105.622","0.004","90.21","0.004","116.385","0.002","1112.42","0.15","298","0.2","298","0.2","","","","","","","","5","P -1","-P 1","2","","","","- Ga3 H4.8 O20.4 Rb3 Se6 -","- Ga3 O20.477 Rb2.988 Se6 -","- Ga6 O40.954 Rb5.976 Se12 -","2","1","","Dong Woo Lee; Kang Min Ok","New Selenites: Hydrothermal Syntheses, Crystal Structures, and Characterization of Rb3HGa2(OH)2(SeO3)4, Rb3Ga5(SeO3)8(HSeO3)2.0.5H2O, and RbGa(SeO3)2.H2O","Inorganic Chemistry","2013","52","","10080","10086","10.1021/ic4013894","","","0.71073","MoKα","","0.0622","0.038","","","0.0731","0.0784","","","","","","0.953","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335891","8.483","0.004","19.513","0.01","21.032","0.01","90","","94.393","0.008","90","","3471","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 Cl2 N8 O11 Ru -","- C30 H32 Cl2 N8 O11 Ru -","- C120 H128 Cl8 N32 O44 Ru4 -","4","1","","Zheng-Zheng Li; Yan-Li Niu; Hai-Yun Zhou; Hsiu-Yi Chao; Bao-Hui Ye","Visible-Light-Induced Photooxidation of Ruthenium(II) Complex with 2,2'-Biimidazole-like Ligand by Singlet Oxygen","Inorganic Chemistry","2013","52","","10087","10095","10.1021/ic4014043","","","0.71073","MoKα","","0.1164","0.0903","","","0.2658","0.3099","","","","","","1.023","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335892","7.125","0.004","8.357","0.005","26.601","0.016","90","","90","","90","","1583.9","1.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Zn(L-tzet)]n","","","- C14 H14 N6 O2 Zn -","- C14 H14 N6 O2 Zn -","- C56 H56 N24 O8 Zn4 -","4","1","","Shuai-Hua Wang; Fa-Kun Zheng; Ming-Jian Zhang; Zhi-Fa Liu; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang","Homochiral Zinc(II) Coordination Compounds Based on In-Situ-Generated Chiral Amino Acid-Tetrazole Ligands: Circular Dichroism, Excitation Light-Induced Tunable Photoluminescence, and Energetic Performance","Inorganic Chemistry","2013","52","","10096","10104","10.1021/ic401409b","","","0.71073","MoKα","","0.0527","0.0418","","","0.0733","0.0783","","","","","","1.078","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335893","7.107","0.002","8.357","0.003","26.572","0.009","90","","90","","90","","1578.2","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Zn(R-tzet)]n","[Zn(R-tzet)]n","","- C14 H14 N6 O2 Zn -","- C14 H14 N6 O2 Zn -","- C56 H56 N24 O8 Zn4 -","4","1","","Shuai-Hua Wang; Fa-Kun Zheng; Ming-Jian Zhang; Zhi-Fa Liu; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang","Homochiral Zinc(II) Coordination Compounds Based on In-Situ-Generated Chiral Amino Acid-Tetrazole Ligands: Circular Dichroism, Excitation Light-Induced Tunable Photoluminescence, and Energetic Performance","Inorganic Chemistry","2013","52","","10096","10104","10.1021/ic401409b","","","0.71073","MoKα","","0.0526","0.0409","","","0.0783","0.0833","","","","","","0.982","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335894","22.757","0.005","7.6987","0.0015","7.2625","0.0015","90","","90.948","0.003","90","","1272.2","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","[Zn(L-tzep)(H2O)2].H2O","[Zn(L-tzep)(H2O)2].H2O","","- C8 H17 N5 O5 Zn -","- C8 H17 N5 O5 Zn -","- C32 H68 N20 O20 Zn4 -","4","1","","Shuai-Hua Wang; Fa-Kun Zheng; Ming-Jian Zhang; Zhi-Fa Liu; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang","Homochiral Zinc(II) Coordination Compounds Based on In-Situ-Generated Chiral Amino Acid-Tetrazole Ligands: Circular Dichroism, Excitation Light-Induced Tunable Photoluminescence, and Energetic Performance","Inorganic Chemistry","2013","52","","10096","10104","10.1021/ic401409b","","","0.71073","MoKα","","0.0199","0.0186","","","0.0396","0.0399","","","","","","1.015","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335895","22.911","0.002","7.7031","0.0006","7.361","0.0007","90","","90.668","0.006","90","","1299","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","[Zn(R-tzep)(H2O)2].H2O","[Zn(R-tzep)(H2O)2].H2O","","- C8 H17 N5 O5 Zn -","- C8 H17 N5 O5 Zn -","- C32 H68 N20 O20 Zn4 -","4","1","","Shuai-Hua Wang; Fa-Kun Zheng; Ming-Jian Zhang; Zhi-Fa Liu; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang","Homochiral Zinc(II) Coordination Compounds Based on In-Situ-Generated Chiral Amino Acid-Tetrazole Ligands: Circular Dichroism, Excitation Light-Induced Tunable Photoluminescence, and Energetic Performance","Inorganic Chemistry","2013","52","","10096","10104","10.1021/ic401409b","","","0.71073","MoKα","","0.0261","0.0228","","","0.0413","0.0421","","","","","","1.007","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335896","28.489","0.01","17.429","0.006","30.812","0.011","90","","113.184","0.005","90","","14064","9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C136 H90 Cu9 F24 N46 O4 P4 -","- C136 H90 Cu9 F24 N46 O4 P4 -","- C544 H360 Cu36 F96 N184 O16 P16 -","4","1","","Hiroki Sato; Lisa Miya; Kiyotaka Mitsumoto; Takuto Matsumoto; Takuya Shiga; Graham N. Newton; Hiroki Oshio","Multiredox Active [3 x 3] Copper Grids","Inorganic Chemistry","2013","52","","9714","9716","10.1021/ic401445u","","","0.71073","MoKα","","0.1498","0.0814","","","0.1887","0.224","","","","","","1.062","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335897","28.89","0.002","20.0394","0.0016","25.453","0.002","90","","94.549","0.001","90","","14689.3","1.9","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C135 H78 B6 Cu9 F24 N45 O14 -","- C135 H78 B6 Cu9 F24 N45 O14 -","- C540 H312 B24 Cu36 F96 N180 O56 -","4","0.5","","Hiroki Sato; Lisa Miya; Kiyotaka Mitsumoto; Takuto Matsumoto; Takuya Shiga; Graham N. Newton; Hiroki Oshio","Multiredox Active [3 x 3] Copper Grids","Inorganic Chemistry","2013","52","","9714","9716","10.1021/ic401445u","","","0.71073","MoKα","","0.1161","0.0827","","","0.2375","0.2632","","","","","","1.07","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335898","3.5956","0.0002","21.2456","0.0005","7.3893","0.0003","90","","90","","90","","564.47","0.04","300","","300","","","","","","","","","6","C m c m","-C 2c 2","63","NaMnMoO3F3-H2O","NaMnMoO3F3-H2O","","- F3 H2 Mn0.97 Mo Na O4 -","- F3 H2 Mn0.96772 Mo Na O4 -","- F12 H8 Mn3.87088 Mo4 Na4 O16 -","4","0.25","","Jessica Nava-Avendaño; Carlos Frontera; José A. Ayllón; Judith Oró-Solé; Premkumar Senguttuvan; M. Rosa Palacín","Synthesis and Characterization of a Novel Sodium Transition Metal Oxyfluoride: NaMnMoO3F3.H2O","Inorganic Chemistry","2013","52","","9791","9797","10.1021/ic401447p","powder diffraction","neutron","1.5941","ConstantWavelengthNeutronDiffraction","","","","","","","","","6.2289","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335899","18.799","0.004","5.9862","0.0012","15.585","0.003","90","","90","","90","","1753.9","0.6","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca6 Cd11 Pt -","- Ca6 Cd11 Pt -","- Ca24 Cd44 Pt4 -","4","0.5","","Fakhili Gulo; Saroj L. Samal; John D. Corbett","Substantial Cd-Cd Bonding in Ca6PtCd11: A Condensed Intermetallic Phase Built of Pentagonal Cd7 and Rectangular Cd4/2Pt Pyramids","Inorganic Chemistry","2013","52","","10112","10118","10.1021/ic401455c","","","0.71073","MoKα","","0.0351","0.0259","","","0.0497","0.0515","","","","","","0.988","","","","has coordinates","179461","2020-10-21","18:00:00",""
"4335900","11.1929","0.0005","11.3582","0.0005","15.4454","0.0007","71.745","0.002","76.682","0.003","81.086","0.002","1807.32","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Di(μ-acetato-κ^2^O,O')-(2-((3-((2-(11H-indolo[3,2-c]quinolin-6-yl-κN^5^) hydrazono-κN^13^)methyl)-5-methyl-2-oxidobenzyl-κO^1^) (2-methoxy-2-oxoethyl-κO^5^)aminoκN^23^) acetato-κO^2^)dicopper(II) trimethanol solvate","","- C36 H43 Cu2 N5 O12 -","- C36 H43 Cu2 N5 O12 -","- C72 H86 Cu4 N10 O24 -","2","1","","Michael F. Primik; Simone Göschl; Samuel M. Meier; Nadine Eberherr; Michael A. Jakupec; Éva A. Enyedy; Ghenadie Novitchi; Vladimir B. Arion","Dicopper(II) and Dizinc(II) Complexes with Nonsymmetric Dinucleating Ligands Based on Indolo[3,2-c]quinolines: Synthesis, Structure, Cytotoxicity, and Intracellular Distribution","Inorganic Chemistry","2013","52","","10137","10146","10.1021/ic401573d","","","0.71073","MoKα","","0.0521","0.0418","","","0.1165","0.1242","","","","","","1.071","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335901","10.7024","0.0005","11.6277","0.0005","15.4646","0.0008","99.404","0.003","105.532","0.003","94.84","0.003","1812.59","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Di(μ-acetato-κ^2^O,O')-(2-((3-((2-(11H-indolo[3,2-c]quinolin-6-yl-κN^5^) hydrazono-κN^13^)methyl)-5-methyl-2-oxidobenzyl-κO^1^) (2-methoxy-2-oxoethyl-κO^5^)aminoκN^23^) acetato-κO^2^)dizinc(II) dimethanol solvate","","- C35 H39 N5 O11 Zn2 -","- C35 H39 N5 O11 Zn2 -","- C70 H78 N10 O22 Zn4 -","2","1","","Michael F. Primik; Simone Göschl; Samuel M. Meier; Nadine Eberherr; Michael A. Jakupec; Éva A. Enyedy; Ghenadie Novitchi; Vladimir B. Arion","Dicopper(II) and Dizinc(II) Complexes with Nonsymmetric Dinucleating Ligands Based on Indolo[3,2-c]quinolines: Synthesis, Structure, Cytotoxicity, and Intracellular Distribution","Inorganic Chemistry","2013","52","","10137","10146","10.1021/ic401573d","","","0.71073","MoKα","","0.0634","0.0485","","","0.1294","0.142","","","","","","1.084","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335902","8.9732","0.0018","14.563","0.003","22.387","0.005","90","","97.987","0.004","90","","2897.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F10 N5 Zr -","- C25 H23 F10 N5 Zr -","- C100 H92 F40 N20 Zr4 -","4","1","","Solveig A. Scholl; Gudrun T. Plundrich; Hubert Wadepohl; Lutz H. Gade","Zirconium Complexes Supported by an N-Perfluoro-Arylated Diamidopyridyl Ligand: Synthesis of Hydrazinediido Complexes","Inorganic Chemistry","2013","52","","10158","10166","10.1021/ic401603y","","x-ray","0.71073","MoKα","","0.0955","0.0543","","","0.107","0.1187","","","","","","1.047","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335903","8.33711","0.00008","23.5742","0.0002","9.73406","0.0001","90","","109.294","0.0011","90","","1805.69","0.03","110","0.1","110","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C37 H23 D12 F9 I N5 Zr -","- C37 H23 D12 F9 I N5 Zr -","- C74 H46 D24 F18 I2 N10 Zr2 -","2","0.5","","Solveig A. Scholl; Gudrun T. Plundrich; Hubert Wadepohl; Lutz H. Gade","Zirconium Complexes Supported by an N-Perfluoro-Arylated Diamidopyridyl Ligand: Synthesis of Hydrazinediido Complexes","Inorganic Chemistry","2013","52","","10158","10166","10.1021/ic401603y","","x-ray","0.7107","MoKα","","0.0306","0.0221","","","0.0432","0.0458","","","","","","1.054","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335904","8.33527","0.00004","18.16024","0.00009","9.30851","0.00005","90","","110.913","0.0006","90","","1316.21","0.013","114.95","0.18","114.95","0.18","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C25 H23 Cl F9 N5 Zr -","- C25 H23 Cl F9 N5 Zr -","- C50 H46 Cl2 F18 N10 Zr2 -","2","0.5","","Solveig A. Scholl; Gudrun T. Plundrich; Hubert Wadepohl; Lutz H. Gade","Zirconium Complexes Supported by an N-Perfluoro-Arylated Diamidopyridyl Ligand: Synthesis of Hydrazinediido Complexes","Inorganic Chemistry","2013","52","","10158","10166","10.1021/ic401603y","","x-ray","0.7107","MoKα","","0.0206","0.0189","","","0.0507","0.0517","","","","","","1.067","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335905","10.2101","0.0001","13.21438","0.00013","16.79443","0.00015","93.1084","0.0008","95.7719","0.0008","111.007","0.0009","2094.62","0.04","110","1","110","1","","","","","","","","6","P -1","-P 1","2","","","","- C88 H82 F18 K2 N14 Zr2 -","- C88 H82 F18 K2 N14 Zr2 -","- C88 H82 F18 K2 N14 Zr2 -","1","0.5","","Solveig A. Scholl; Gudrun T. Plundrich; Hubert Wadepohl; Lutz H. Gade","Zirconium Complexes Supported by an N-Perfluoro-Arylated Diamidopyridyl Ligand: Synthesis of Hydrazinediido Complexes","Inorganic Chemistry","2013","52","","10158","10166","10.1021/ic401603y","","x-ray","0.7107","MoKα","","0.047","0.0417","","","0.0812","0.0831","","","","","","1.174","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335906","11.2275","0.0002","13.765","0.0003","14.1485","0.0003","112.625","0.002","105.15","0.0018","101.223","0.0018","1838.16","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.5 H37 F8 N7 Zr -","- C40.5 H37 F8 N7 Zr -","- C81 H74 F16 N14 Zr2 -","2","1","","Solveig A. Scholl; Gudrun T. Plundrich; Hubert Wadepohl; Lutz H. Gade","Zirconium Complexes Supported by an N-Perfluoro-Arylated Diamidopyridyl Ligand: Synthesis of Hydrazinediido Complexes","Inorganic Chemistry","2013","52","","10158","10166","10.1021/ic401603y","","x-ray","1.5418","CuKα","","0.0271","0.0245","","","0.0588","0.0599","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335907","26.2226","0.0018","14.8423","0.0011","30.408","0.002","90","","90","","90","","11834.9","1.4","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C45 H54 Cd2 Cl2 I6 K2 O8 S2 -","- C45 H54 Cd2 Cl2 I6 K2 O8 S2 -","- C360 H432 Cd16 Cl16 I48 K16 O64 S16 -","8","1","","Ja-Yeon Kim; In-Hyeok Park; Jai Young Lee; Joon-Hwa Lee; Ki-Min Park; Shim Sung Lee","Hard and Soft Metal Complexes of Calix[4]-bis-monothiacrown-5: X-ray and NMR Studies of Discrete Homodinuclear Complexes and a Heteromultinuclear Network","Inorganic Chemistry","2013","52","","10176","10182","10.1021/ic401648b","","","0.71073","MoKα","","0.0914","0.0493","","","0.1077","0.1262","","","","","","1.015","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335908","11.0637","0.0006","20.628","0.001","22.5805","0.0011","90","","101.761","0.003","90","","5045.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 Ag2 Cl2 O19 S2 -","- C46 H62 Ag2 Cl2 O19 S2 -","- C184 H248 Ag8 Cl8 O76 S8 -","4","1","","Ja-Yeon Kim; In-Hyeok Park; Jai Young Lee; Joon-Hwa Lee; Ki-Min Park; Shim Sung Lee","Hard and Soft Metal Complexes of Calix[4]-bis-monothiacrown-5: X-ray and NMR Studies of Discrete Homodinuclear Complexes and a Heteromultinuclear Network","Inorganic Chemistry","2013","52","","10176","10182","10.1021/ic401648b","","","0.71073","MoKα","","0.1356","0.073","","","0.1616","0.194","","","","","","1.03","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335909","30.905","0.0005","15.0495","0.0002","13.8112","0.0002","90","","90","","90","","6423.66","0.16","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H26 Hg2 I5 K O4 S -","- C22 H26 Hg2 I5 K O4 S -","- C176 H208 Hg16 I40 K8 O32 S8 -","8","1","","Ja-Yeon Kim; In-Hyeok Park; Jai Young Lee; Joon-Hwa Lee; Ki-Min Park; Shim Sung Lee","Hard and Soft Metal Complexes of Calix[4]-bis-monothiacrown-5: X-ray and NMR Studies of Discrete Homodinuclear Complexes and a Heteromultinuclear Network","Inorganic Chemistry","2013","52","","10176","10182","10.1021/ic401648b","","","0.71073","MoKα","","0.0485","0.0334","","","0.0683","0.0739","","","","","","1.05","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335910","21.8208","0.0004","21.8208","0.0004","21.8208","0.0004","90","","90","","90","","10389.9","0.3","293","2","293","2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Al236 Er88 Mn110 Si238 -","- Al237 Er88 Mn110 Si237 -","- Al237 Er88 Mn110 Si237 -","1","0.0208333","","Nicholas P. Calta; Mercouri G. Kanatzidis","Quaternary Aluminum Silicides Grown in Al Flux: RE5Mn4Al23-xSix (RE = Ho, Er, Yb) and Er44Mn55(AlSi)237","Inorganic Chemistry","2013","52","","9931","9940","10.1021/ic401659y","","","0.71073","MoKα","","0.0603","0.0502","","","0.0712","0.073","","","","","","1.445","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335911","11.4171","0.001","11.4171","0.001","4.0575","0.0004","90","","90","","90","","528.9","0.08","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Al13 Ho5 Mn4 Si10 -","- Al15.18 Ho5 Mn4 Si7.82 -","- Al15.18 Ho5 Mn4 Si7.82 -","1","0.0625","","Nicholas P. Calta; Mercouri G. Kanatzidis","Quaternary Aluminum Silicides Grown in Al Flux: RE5Mn4Al23-xSix (RE = Ho, Er, Yb) and Er44Mn55(AlSi)237","Inorganic Chemistry","2013","52","","9931","9940","10.1021/ic401659y","","","0.71073","MoKα","","0.0187","0.0185","","","0.051","0.0511","","","","","","1.386","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335912","11.3834","0.0009","11.3834","0.0009","4.0399","0.0005","90","","90","","90","","523.5","0.09","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Al15.1 Er5 Mn4 Si7.9 -","- Al15.18 Er5 Mn4 Si7.82 -","- Al15.18 Er5 Mn4 Si7.82 -","1","0.0625","","Nicholas P. Calta; Mercouri G. Kanatzidis","Quaternary Aluminum Silicides Grown in Al Flux: RE5Mn4Al23-xSix (RE = Ho, Er, Yb) and Er44Mn55(AlSi)237","Inorganic Chemistry","2013","52","","9931","9940","10.1021/ic401659y","","","0.71073","MoKα","","0.0303","0.0263","","","0.0421","0.0428","","","","","","1.374","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335913","11.386","0.0006","11.386","0.0006","4.0297","0.0002","90","","90","","90","","522.41","0.05","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Al15.1 Mn4 Si7.9 Yb5 -","- Al15.18 Mn4 Si7.82 Yb5 -","- Al15.18 Mn4 Si7.82 Yb5 -","1","0.0625","","Nicholas P. Calta; Mercouri G. Kanatzidis","Quaternary Aluminum Silicides Grown in Al Flux: RE5Mn4Al23-xSix (RE = Ho, Er, Yb) and Er44Mn55(AlSi)237","Inorganic Chemistry","2013","52","","9931","9940","10.1021/ic401659y","","","0.71073","MoKα","","0.0316","0.0269","","","0.0423","0.0435","","","","","","1.196","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335914","10.3264","0.0007","13.1097","0.0007","22.1439","0.0013","90","","94.612","0.002","90","","2988","0.3","191","2","191","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 B F4 N6 O2 Ru -","- C30 H29 B F4 N6 O2 Ru -","- C120 H116 B4 F16 N24 O8 Ru4 -","4","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki","Four-Electron Oxidative Dehydrogenation Induced by Proton-Coupled Electron Transfer in Ruthenium(III) Complex with 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenolate","Inorganic Chemistry","2013","52","","10183","10190","10.1021/ic401667v","","","0.71075","MoKα","","0.0311","0.0283","","","0.0804","0.0824","","","","","","1.042","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335915","9.9379","0.0007","10.0441","0.0008","30.4265","0.0019","90","","95.006","0.002","90","","3025.5","0.4","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 B F4 N6 O2 Ru -","- C31 H25 B F4 N6 O2 Ru -","- C124 H100 B4 F16 N24 O8 Ru4 -","4","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki","Four-Electron Oxidative Dehydrogenation Induced by Proton-Coupled Electron Transfer in Ruthenium(III) Complex with 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenolate","Inorganic Chemistry","2013","52","","10183","10190","10.1021/ic401667v","","","0.71075","MoKα","","0.0449","0.0358","","","0.0915","0.0977","","","","","","1.18","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335916","15.013","0.006","9.1","0.004","22.073","0.009","90","","94.156","0.005","90","","3008","2","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cl N8 O Ru -","- C33 H29 Cl N8 O Ru -","- C132 H116 Cl4 N32 O4 Ru4 -","4","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki","Four-Electron Oxidative Dehydrogenation Induced by Proton-Coupled Electron Transfer in Ruthenium(III) Complex with 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenolate","Inorganic Chemistry","2013","52","","10183","10190","10.1021/ic401667v","","","0.71075","MoKα","","0.1227","0.0827","","","0.1363","0.1515","","","","","","1.101","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335917","7.754","0.002","10.279","0.003","17.134","0.005","95.99","0.003","96.674","0.004","90.762","0.004","1348.5","0.7","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H23 B F4 N6 O Ru -","- C30 H23 B F4 N6 O Ru -","- C60 H46 B2 F8 N12 O2 Ru2 -","2","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki","Four-Electron Oxidative Dehydrogenation Induced by Proton-Coupled Electron Transfer in Ruthenium(III) Complex with 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenolate","Inorganic Chemistry","2013","52","","10183","10190","10.1021/ic401667v","","","0.71075","MoKα","","0.0366","0.0308","","","0.0786","0.0806","","","","","","1.002","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335918","21.0628","0.0019","10.2097","0.001","14.4298","0.0012","90","","98.204","0.003","90","","3071.3","0.5","192","2","192","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 B2 F8 N6 O Ru -","- C29 H25 B2 F8 N6 O Ru -","- C116 H100 B8 F32 N24 O4 Ru4 -","4","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki","Four-Electron Oxidative Dehydrogenation Induced by Proton-Coupled Electron Transfer in Ruthenium(III) Complex with 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenolate","Inorganic Chemistry","2013","52","","10183","10190","10.1021/ic401667v","","","0.71075","MoKα","","0.0843","0.0516","","","0.1137","0.1306","","","","","","1.046","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335919","21.3045","0.0015","10.1333","0.0006","14.5836","0.001","90","","100.059","0.002","90","","3100","0.4","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 B2 F8 N6 O Ru -","- C30 H27 B2 F8 N6 O Ru -","- C120 H108 B8 F32 N24 O4 Ru4 -","4","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki","Four-Electron Oxidative Dehydrogenation Induced by Proton-Coupled Electron Transfer in Ruthenium(III) Complex with 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenolate","Inorganic Chemistry","2013","52","","10183","10190","10.1021/ic401667v","","","0.71075","MoKα","","0.0347","0.0292","","","0.0747","0.0779","","","","","","1.051","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335920","9.881","0.009","27.42","0.03","9.803","0.009","90","","90","","90","","2656","4","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C31 H25 N7 O Ru -","- C31 H25 N7 O Ru -","- C124 H100 N28 O4 Ru4 -","4","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki","Four-Electron Oxidative Dehydrogenation Induced by Proton-Coupled Electron Transfer in Ruthenium(III) Complex with 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenolate","Inorganic Chemistry","2013","52","","10183","10190","10.1021/ic401667v","","","0.71075","MoKα","","0.1059","0.0888","","","0.1549","0.163","","","","","","1.16","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335921","9.9475","0.0019","7.4571","0.0014","21.436","0.004","90","","96.718","0.005","90","","1579.2","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N2 O -","- C9 H10 N2 O -","- C72 H80 N16 O8 -","8","2","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki","Four-Electron Oxidative Dehydrogenation Induced by Proton-Coupled Electron Transfer in Ruthenium(III) Complex with 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenolate","Inorganic Chemistry","2013","52","","10183","10190","10.1021/ic401667v","","","0.71075","MoKα","","0.0491","0.0431","","","0.1139","0.1211","","","","","","1.083","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335922","9.7896","0.0011","7.1703","0.0009","12.6538","0.0013","90","","101.326","0.003","90","","870.93","0.17","188","2","188","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O -","- C10 H12 N2 O -","- C40 H48 N8 O4 -","4","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki","Four-Electron Oxidative Dehydrogenation Induced by Proton-Coupled Electron Transfer in Ruthenium(III) Complex with 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenolate","Inorganic Chemistry","2013","52","","10183","10190","10.1021/ic401667v","","","0.71075","MoKα","","0.0457","0.041","","","0.1189","0.1223","","","","","","1.113","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335923","7.4464","0.0013","9.6221","0.0017","11.538","0.003","90","","98.594","0.006","90","","817.4","0.3","192","2","192","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","","Ryoji Mitsuhashi; Takayoshi Suzuki; Yukinari Sunatsuki","Four-Electron Oxidative Dehydrogenation Induced by Proton-Coupled Electron Transfer in Ruthenium(III) Complex with 2-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenolate","Inorganic Chemistry","2013","52","","10183","10190","10.1021/ic401667v","","","0.71075","MoKα","","0.0671","0.0465","","","0.1186","0.141","","","","","","0.993","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4335924","16.5975","0.0006","16.5975","0.0006","10.6852","0.0005","90","","90","","120","","2549.17","0.18","210","2","210","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C12 H34 N3 Na3 O29 U3 -","- C12 H34 N3 Na3 O29 U3 -","- C36 H102 N9 Na9 O87 U9 -","3","0.166667","","Daniel K. Unruh; Kyle Gojdas; Erin Flores; Anna Libo; Tori Z. Forbes","Synthesis and Structural Characterization of Hydrolysis Products within the Uranyl Iminodiacetate and Malate Systems","Inorganic Chemistry","2013","52","","10191","10198","10.1021/ic401705j","","","0.71073","MoKα","","0.0088","0.0088","","","0.023","0.023","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4335925","24.7851","0.0015","20.5105","0.0012","16.5578","0.0009","90","","112.596","0.002","90","","7771.1","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H31 K N4 O28 U3 -","- C20 H31 K N4 O28 U3 -","- C160 H248 K8 N32 O224 U24 -","8","1","","Daniel K. Unruh; Kyle Gojdas; Erin Flores; Anna Libo; Tori Z. Forbes","Synthesis and Structural Characterization of Hydrolysis Products within the Uranyl Iminodiacetate and Malate Systems","Inorganic Chemistry","2013","52","","10191","10198","10.1021/ic401705j","","","0.71073","MoKα","","0.0484","0.0381","","","0.1039","0.1111","","","","","","1.092","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335926","11.3709","0.0008","14.8831","0.0011","19.0822","0.0013","112.944","0.002","93.626","0.002","96.393","0.002","2935.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H94 N12 O89 U11 -","- C50 H94 N12 O89 U11 -","- C50 H94 N12 O89 U11 -","1","0.5","","Daniel K. Unruh; Kyle Gojdas; Erin Flores; Anna Libo; Tori Z. Forbes","Synthesis and Structural Characterization of Hydrolysis Products within the Uranyl Iminodiacetate and Malate Systems","Inorganic Chemistry","2013","52","","10191","10198","10.1021/ic401705j","","","0.71073","MoKα","","0.0632","0.0462","","","0.1093","0.1182","","","","","","1.09","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335927","15.165","0.003","16.196","0.002","18.978","0.003","75.566","0.004","68.987","0.004","82.835","0.004","4210.7","1.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H134 Cu18 N32 O38 P8 -","- C120 H134 Cu18 N32 O38 P8 -","- C120 H134 Cu18 N32 O38 P8 -","1","0.5","","Javeed Ahmad Sheikh; Himanshu Sekhar Jena; Amit Adhikary; Sajal Khatua; Sanjit Konar","An Unprecedented Octadecanuclear Copper(II) Pyrazolate-Phosphonate Nanocage: Synthetic, Structural, Magnetic, and Mechanistic Study","Inorganic Chemistry","2013","52","","9717","9719","10.1021/ic401754q","","","0.71073","MoKα","","0.0983","0.0666","","","0.19","0.2504","","","","","","1.143","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335928","14.18","0.01","23.34","0.016","10.729","0.007","90","","90","","90","","3551","4","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C24 H25 Cu3 N11 O7 -","- C24 H25 Cu3 N11 O7 -","- C96 H100 Cu12 N44 O28 -","4","1","","Javeed Ahmad Sheikh; Himanshu Sekhar Jena; Amit Adhikary; Sajal Khatua; Sanjit Konar","An Unprecedented Octadecanuclear Copper(II) Pyrazolate-Phosphonate Nanocage: Synthetic, Structural, Magnetic, and Mechanistic Study","Inorganic Chemistry","2013","52","","9717","9719","10.1021/ic401754q","","","0.71073","MoKα","","0.0996","0.0644","","","0.1921","0.2129","","","","","","1.059","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335929","37.82959","","15.24373","","12.83659","","90","","90","","90","","7402.4","","","","","","","","","","","","","5","A m a 2","A 2 -2a","40","","","|(C15N2H32)(NH4)|[Ge11 O21.5(OH)4]","- C15 H40 Ge11 N3 O25.5 -","- C19.293 H4 Ge11 N4.046 O25.5 -","- C154.344 H32 Ge88 N32.368 O204 -","8","1","","Yan Xu; Leifeng Liu; Daniel M. Chevrier; Junliang Sun; Peng Zhang; Jihong Yu","Germanate with Three-Dimensional 12 x 12 x 11-Ring Channels Solved by X-ray Powder Diffraction with Charge-Flipping Algorithm","Inorganic Chemistry","2013","52","","10238","10244","10.1021/ic302705f","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335930","37.614","0.0015","27.286","0.0011","18.2151","0.0007","90","","90","","90","","18694.8","1.3","123","","123","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C143 H182 B4 N4 Nd4 O33 -","- C143 H158 B4 N4 Nd4 O33 -","- C572 H632 B16 N16 Nd16 O132 -","4","0.5","","Yan Liu; Ke Mo; Yong Cui","Porous and Robust Lanthanide Metal-Organoboron Frameworks as Water Tolerant Lewis Acid Catalysts","Inorganic Chemistry","2013","52","","10286","10291","10.1021/ic400598x","","","1.54178","CuKα","","0.1147","0.0832","","","0.1812","0.1949","","","","","","1.012","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335931","37.927","0.003","27.1472","0.0019","18.4835","0.0012","90","","90","","90","","19031","2","123","","123","","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C149 H196 B4 La4 N6 O35 -","- C149 H184 B4 La4 N6 O35 -","- C596 H736 B16 La16 N24 O140 -","4","0.5","","Yan Liu; Ke Mo; Yong Cui","Porous and Robust Lanthanide Metal-Organoboron Frameworks as Water Tolerant Lewis Acid Catalysts","Inorganic Chemistry","2013","52","","10286","10291","10.1021/ic400598x","","","0.71073","MoKα","","0.1201","0.0609","","","0.1566","0.1973","","","","","","1.015","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335932","13.4412","0.0015","23.796","0.006","15.169","0.0018","90","","115.524","0.008","90","","4378.2","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 Cl4 F6 Ir N5 P -","- C43 H43 Cl4 F6 Ir N5 P -","- C172 H172 Cl16 F24 Ir4 N20 P4 -","4","1","","Filippo Monti; Florian Kessler; Manuel Delgado; Julien Frey; Federico Bazzanini; Gianluca Accorsi; Nicola Armaroli; Henk J. Bolink; Enrique Ortí; Rosario Scopelliti; Md. Khaja Nazeeruddin; Etienne Baranoff","Charged Bis-Cyclometalated Iridium(III) Complexes with Carbene-Based Ancillary Ligands","Inorganic Chemistry","2013","52","","10292","10305","10.1021/ic400600d","","","0.71073","MoKα","","0.0511","0.0365","","","0.0779","0.0857","","","","","","1.09","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335933","15.174","0.003","15.669","0.0015","15.7869","0.0017","90","","114.473","0.011","90","","3416.3","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H31 Cl3 F6 Ir N6 P -","- C32.5 H31 Cl3 F6 Ir N6 P -","- C130 H124 Cl12 F24 Ir4 N24 P4 -","4","1","","Filippo Monti; Florian Kessler; Manuel Delgado; Julien Frey; Federico Bazzanini; Gianluca Accorsi; Nicola Armaroli; Henk J. Bolink; Enrique Ortí; Rosario Scopelliti; Md. Khaja Nazeeruddin; Etienne Baranoff","Charged Bis-Cyclometalated Iridium(III) Complexes with Carbene-Based Ancillary Ligands","Inorganic Chemistry","2013","52","","10292","10305","10.1021/ic400600d","","","0.71073","MoKα","","0.0377","0.0231","","","0.0467","0.0548","","","","","","1.188","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335934","9.738","0.002","25.125","0.003","17.355","0.002","90","","102.377","0.008","90","","4147.5","1.1","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H25 Cl2 F10 Ir N5 P -","- C33 H25 Cl2 F10 Ir N5 P -","- C132 H100 Cl8 F40 Ir4 N20 P4 -","4","1","","Filippo Monti; Florian Kessler; Manuel Delgado; Julien Frey; Federico Bazzanini; Gianluca Accorsi; Nicola Armaroli; Henk J. Bolink; Enrique Ortí; Rosario Scopelliti; Md. Khaja Nazeeruddin; Etienne Baranoff","Charged Bis-Cyclometalated Iridium(III) Complexes with Carbene-Based Ancillary Ligands","Inorganic Chemistry","2013","52","","10292","10305","10.1021/ic400600d","","","0.71073","MoKα","","0.0489","0.0413","","","0.1056","0.1097","","","","","","1.077","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335935","10.1531","0.0008","12.8","0.0006","14.5196","0.0014","76.33","0.006","72.894","0.008","75.688","0.006","1720","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H26 Cl2 F10 Ir N6 P -","- C32 H26 Cl2 F10 Ir N6 P -","- C64 H52 Cl4 F20 Ir2 N12 P2 -","2","1","","Filippo Monti; Florian Kessler; Manuel Delgado; Julien Frey; Federico Bazzanini; Gianluca Accorsi; Nicola Armaroli; Henk J. Bolink; Enrique Ortí; Rosario Scopelliti; Md. Khaja Nazeeruddin; Etienne Baranoff","Charged Bis-Cyclometalated Iridium(III) Complexes with Carbene-Based Ancillary Ligands","Inorganic Chemistry","2013","52","","10292","10305","10.1021/ic400600d","","","0.71073","MoKα","","0.0473","0.0356","","","0.076","0.0811","","","","","","1.078","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335936","14.8273","0.0015","25.074","0.003","9.2908","0.0011","90","","107.276","0.011","90","","3298.3","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 F10 Ir N5 O P -","- C34 H27 F10 Ir N5 O P -","- C136 H108 F40 Ir4 N20 O4 P4 -","4","1","","Filippo Monti; Florian Kessler; Manuel Delgado; Julien Frey; Federico Bazzanini; Gianluca Accorsi; Nicola Armaroli; Henk J. Bolink; Enrique Ortí; Rosario Scopelliti; Md. Khaja Nazeeruddin; Etienne Baranoff","Charged Bis-Cyclometalated Iridium(III) Complexes with Carbene-Based Ancillary Ligands","Inorganic Chemistry","2013","52","","10292","10305","10.1021/ic400600d","","","0.71073","MoKα","","0.0588","0.0407","","","0.0817","0.0893","","","","","","1.072","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335937","10.771","0.002","11.538","0.002","17.0266","0.0012","107.44","0.009","103.104","0.013","95.726","0.015","1933.9","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H35 F10 Ir N5 P -","- C41 H35 F10 Ir N5 P -","- C82 H70 F20 Ir2 N10 P2 -","2","1","","Filippo Monti; Florian Kessler; Manuel Delgado; Julien Frey; Federico Bazzanini; Gianluca Accorsi; Nicola Armaroli; Henk J. Bolink; Enrique Ortí; Rosario Scopelliti; Md. Khaja Nazeeruddin; Etienne Baranoff","Charged Bis-Cyclometalated Iridium(III) Complexes with Carbene-Based Ancillary Ligands","Inorganic Chemistry","2013","52","","10292","10305","10.1021/ic400600d","","","0.71073","MoKα","","0.0239","0.0191","","","0.041","0.0434","","","","","","1.08","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335938","11.572","0.005","17.606","0.005","23.8","0.005","97.797","0.005","100.695","0.005","92.277","0.005","4710","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C109 H102 B2 Cu2 N10 O5.5 -","- C109 H102 B2 Cu2 N10 O5.5 -","- C218 H204 B4 Cu4 N20 O11 -","2","1","","David Schweinfurth; Marat M. Khusniyarov; Denis Bubrin; Stephan Hohloch; Cheng-Yong Su; Biprajit Sarkar","Tuning Spin-Spin Coupling in Quinonoid-Bridged Dicopper(II) Complexes through Rational Bridge Variation","Inorganic Chemistry","2013","52","","10332","10339","10.1021/ic400955c","","","0.71069","MoKα","","0.0669","0.0585","","","0.1794","0.1912","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335939","11.142","0.0001","19.6064","0.0002","14.7665","0.0002","90","","111.539","0.001","90","","3000.54","0.06","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H58 Cl2 Cu2 N12 O8 -","- C66 H58 Cl2 Cu2 N12 O8 -","- C132 H116 Cl4 Cu4 N24 O16 -","2","0.5","","David Schweinfurth; Marat M. Khusniyarov; Denis Bubrin; Stephan Hohloch; Cheng-Yong Su; Biprajit Sarkar","Tuning Spin-Spin Coupling in Quinonoid-Bridged Dicopper(II) Complexes through Rational Bridge Variation","Inorganic Chemistry","2013","52","","10332","10339","10.1021/ic400955c","","","1.54178","CuKα","","0.0375","0.0347","","","0.095","0.0973","","","","","","1.048","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335940","9.403","0.002","14.796","0.003","17.155","0.004","90","","90.109","0.011","90","","2386.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Cl2 Cu2 N8 O14 -","- C44 H46 Cl2 Cu2 N8 O14 -","- C88 H92 Cl4 Cu4 N16 O28 -","2","0.5","","David Schweinfurth; Marat M. Khusniyarov; Denis Bubrin; Stephan Hohloch; Cheng-Yong Su; Biprajit Sarkar","Tuning Spin-Spin Coupling in Quinonoid-Bridged Dicopper(II) Complexes through Rational Bridge Variation","Inorganic Chemistry","2013","52","","10332","10339","10.1021/ic400955c","","","0.71073","MoKα","","0.0436","0.0335","","","0.0915","0.0942","","","","","","0.981","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335941","10.8982","0.0016","11.903","0.002","12.648","0.003","114.922","0.012","111.09","0.013","94.632","0.013","1334.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H52 Cl4 Cu2 N8 O16 -","- C46 H52 Cl4 Cu2 N8 O16 -","- C46 H52 Cl4 Cu2 N8 O16 -","1","0.5","","David Schweinfurth; Marat M. Khusniyarov; Denis Bubrin; Stephan Hohloch; Cheng-Yong Su; Biprajit Sarkar","Tuning Spin-Spin Coupling in Quinonoid-Bridged Dicopper(II) Complexes through Rational Bridge Variation","Inorganic Chemistry","2013","52","","10332","10339","10.1021/ic400955c","","","0.71073","MoKα","","0.0416","0.0372","","","0.1086","0.1104","","","","","","1.121","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335942","12.88","0.003","16.861","0.003","17.325","0.004","75.74","0.03","73.26","0.03","68.59","0.03","3312.1","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H52 N6 O18 Zn7 -","- C76 H52 N6 O18 Zn7 -","- C76 H52 N6 O18 Zn7 -","1","0.5","","Qingshu Zheng; Feilong Yang; Mingli Deng; Yun Ling; Xiaofeng Liu; Zhenxia Chen; Yunhua Wang; Linhong Weng; Yaming Zhou","A Porous Metal-Organic Framework Constructed from Carboxylate-Pyrazolate Shared Heptanuclear Zinc Clusters: Synthesis, Gas Adsorption, and Guest-Dependent Luminescent Properties","Inorganic Chemistry","2013","52","","10368","10374","10.1021/ic401092j","","","0.71073","MoKα","","0.0922","0.0783","","","0.2263","0.2423","","","","","","1.055","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335943","13.736","0.003","21.167","0.003","12.464","0.002","90","","121.98","0.004","90","","3073.9","0.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","Pd Por3","Pd Porphyrin 3","","- C43 H27 N5 Pd -","- C43 H27 N5 Pd -","- C172 H108 N20 Pd4 -","4","1","","Christopher M. Lemon; Elizabeth Karnas; Moungi G. Bawendi; Daniel G. Nocera","Two-Photon Oxygen Sensing with Quantum Dot-Porphyrin Conjugates","Inorganic Chemistry","2013","52","","10394","10406","10.1021/ic4011168","","","0.71073","MoKα","","0.0518","0.0425","","","0.1021","0.1087","","","","","","1.127","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335944","23.282","0.003","19.331","0.003","22.198","0.003","90","","97.885","0.003","90","","9896","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C90 H102 Fe6 Mn8 N6 O40 -","- C90 H96 Fe6 Mn8 N6 O37 -","- C360 H384 Fe24 Mn32 N24 O148 -","4","0.5","","Antonio Masello; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou","Mn8Cluster with Ferrocene-1,1'-Dicarboxylate Ligation: Single-Molecule Magnetism with Multiple External Redox Centers","Inorganic Chemistry","2013","52","","10414","10423","10.1021/ic4011955","","","0.71073","MoKα","","0.0919","0.0441","","","0.0848","0.1024","","","","","","1.008","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335945","24.015","0.002","14.8647","0.0014","29.558","0.003","90","","101.088","0.005","90","","10354.5","1.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H104 Fe6 Mn8 N8 O36 -","- C84 H76 Fe6 Mn8 N4 O32 -","- C336 H304 Fe24 Mn32 N16 O128 -","4","1","","Antonio Masello; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou","Mn8Cluster with Ferrocene-1,1'-Dicarboxylate Ligation: Single-Molecule Magnetism with Multiple External Redox Centers","Inorganic Chemistry","2013","52","","10414","10423","10.1021/ic4011955","","","0.71073","MoKα","","0.0703","0.0429","","","0.0947","0.0999","","","","","","0.928","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335946","18.1579","0.0004","18.1579","0.0004","76.3832","0.0017","90","","90","","120","","21810.2","0.8","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C147 H102 Cl6 N24 O12 Pd12 -","- C147 H102 Cl6 N24 O12 Pd12 -","- C882 H612 Cl36 N144 O72 Pd72 -","6","0.333333","","Claire A. Murray; Christine J. Cardin; Barnaby W. Greenland; Andrew Swift; Howard M. Colquhoun","Pairwise Assembly of Organopalladium(II) Units with Cyanurato(3-) and Trithiocyanurato(3-) Ligands: Formation of Chiral Pd12, Pd10, and Pd9 Cage-Molecules","Inorganic Chemistry","2013","52","","10424","10430","10.1021/ic401253q","","","1.54184","CuKα","","0.0513","0.0406","","0.0842","0.0749","0.0842","","","","","","1.0063","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335947","26.62","0.006","37.337","0.009","16.594","0.004","90","","113.678","0.003","90","","15105","6","150","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C152 H112 N22 O12 Pd10 -","- C152 H112 N22 O12 Pd10 -","- C608 H448 N88 O48 Pd40 -","4","0.5","","Claire A. Murray; Christine J. Cardin; Barnaby W. Greenland; Andrew Swift; Howard M. Colquhoun","Pairwise Assembly of Organopalladium(II) Units with Cyanurato(3-) and Trithiocyanurato(3-) Ligands: Formation of Chiral Pd12, Pd10, and Pd9 Cage-Molecules","Inorganic Chemistry","2013","52","","10424","10430","10.1021/ic401253q","","","0.7749","synchrotron","","0.11","0.0643","","0.1693","0.1318","0.1687","","","","","","0.9426","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335948","29.4972","0.0002","29.4972","0.0002","29.4972","0.0002","90","","90","","90","","25665.1","0.3","150","","150","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C241 H289 Cl3 N48 O24 Pd24 -","- C241 H289 Cl3 N48 O24 Pd24 -","- C964 H1156 Cl12 N192 O96 Pd96 -","4","0.166667","","Claire A. Murray; Christine J. Cardin; Barnaby W. Greenland; Andrew Swift; Howard M. Colquhoun","Pairwise Assembly of Organopalladium(II) Units with Cyanurato(3-) and Trithiocyanurato(3-) Ligands: Formation of Chiral Pd12, Pd10, and Pd9 Cage-Molecules","Inorganic Chemistry","2013","52","","10424","10430","10.1021/ic401253q","","","0.71073","MoKα","","0.117","0.0842","","0.2173","0.2017","0.2173","","","","","","1.3384","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335949","23.4882","0.0009","16.5223","0.0008","31.085","0.0012","90","","101.68","0.003","90","","11813.6","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H72 N18 Pd9 S9 -","- C108 H72 N18 Pd9 S9 -","- C432 H288 N72 Pd36 S36 -","4","1","","Claire A. Murray; Christine J. Cardin; Barnaby W. Greenland; Andrew Swift; Howard M. Colquhoun","Pairwise Assembly of Organopalladium(II) Units with Cyanurato(3-) and Trithiocyanurato(3-) Ligands: Formation of Chiral Pd12, Pd10, and Pd9 Cage-Molecules","Inorganic Chemistry","2013","52","","10424","10430","10.1021/ic401253q","","","0.6889","synchrotron","","0.2357","0.1117","","0.1983","0.1314","0.1983","","","","","","0.9974","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335950","4.79748","0.0001","8.36199","0.00017","7.90637","0.00015","90","","121.496","0.0012","90","","270.447","0.01","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","delithiated_marinite","lithium iron sulphate","","- Fe Li O8 S2 -","- Fe Li O8 S2 -","- Fe2 Li2 O16 S4 -","2","0.5","","Marine Reynaud; Gwenaëlle Rousse; Jean-Noël Chotard; Juan Rodríguez-Carvajal; Jean-Marie Tarascon","Marinite Li2M(SO4)2 (M = Co, Fe, Mn) and Li1Fe(SO4)2: Model Compounds for Super-Super-Exchange Magnetic Interactions","Inorganic Chemistry","2013","52","","10456","10466","10.1021/ic401280e","powder diffraction","neutron","1.59422","Neutron","","","","","","","","","2.2355","5.81","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4335951","4.99198","0.00005","8.33959","0.00008","8.8614","0.00008","90","","121.226","0.0003","90","","315.464","0.005","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","marinite manganese","lithium manganese sulphate","","- Li2 Mn O8 S2 -","- Li2 Mn O8 S2 -","- Li4 Mn2 O16 S4 -","2","0.5","","Marine Reynaud; Gwenaëlle Rousse; Jean-Noël Chotard; Juan Rodríguez-Carvajal; Jean-Marie Tarascon","Marinite Li2M(SO4)2 (M = Co, Fe, Mn) and Li1Fe(SO4)2: Model Compounds for Super-Super-Exchange Magnetic Interactions","Inorganic Chemistry","2013","52","","10456","10466","10.1021/ic401280e","powder diffraction","","1.5406","CuKα","","","","","","","","","8.3092","9.64","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4335952","13.2605","0.0015","15.964","0.0018","19.194","0.002","99.384","0.002","96.206","0.002","113.496","0.001","3608.5","0.7","298","","298","","","","","","","","","9","P -1","-P 1","2","","","","- C48 H88 Cl4 Co2 N2 O19 Os P6 Ru2 -","- C47.98 H60 Cl4 Co2 N2 O19 Os P6 Ru2 -","- C95.96 H120 Cl8 Co4 N4 O38 Os2 P12 Ru4 -","2","1","","Wai-Man Cheung; Enrique Kwan Huang; Jun Zhu; Xiao-Yi Yi; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Facile η5-η1 Ring Slippage of the Cycloolefin Ligands in Osmocene and Bis(η5-indenyl)ruthenium(II)","Inorganic Chemistry","2013","52","","10449","10455","10.1021/ic401289k","","","0.71073","MoKα","","0.0739","0.0472","","","0.108","0.115","","","","","","1.028","","","","has coordinates,has disorder","179462","2020-10-21","18:00:00",""
"4335953","14.3744","0.0003","18.0585","0.0003","31.6395","0.0007","90","","97.01","0.002","90","","8151.6","0.3","173","0.14","173","0.14","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57.5 H96.5 Cl6 Co2 N2 O18 P6 Ru3 -","- C57.5 H85 Cl6 Co2 N2 O18 P6 Ru3 -","- C230 H340 Cl24 Co8 N8 O72 P24 Ru12 -","4","1","","Wai-Man Cheung; Enrique Kwan Huang; Jun Zhu; Xiao-Yi Yi; Herman H. Y. Sung; Ian D. Williams; Wa-Hung Leung","Facile η5-η1 Ring Slippage of the Cycloolefin Ligands in Osmocene and Bis(η5-indenyl)ruthenium(II)","Inorganic Chemistry","2013","52","","10449","10455","10.1021/ic401289k","","x-ray","0.7107","MoKα","","0.0919","0.0728","","","0.1676","0.1783","","","","","","1.089","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4335954","17.6133","0.0005","10.4554","0.0002","18.8663","0.0004","90","","105.548","0.003","90","","3347.17","0.14","110","2","110","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C33 H35 F3 Fe N4 O3 S2 -","- C33 H35 F3 Fe N4 O3 S2 -","- C132 H140 F12 Fe4 N16 O12 S8 -","4","2","","Leland R. Widger; Yunbo Jiang; Maxime A. Siegler; Devesh Kumar; Reza Latifi; Sam P. de Visser; Guy N. L. Jameson; David P. Goldberg","Synthesis and Ligand Non-Innocence of Thiolate-Ligated (N4S) Iron(II) and Nickel(II) Bis(imino)pyridine Complexes","Inorganic Chemistry","2013","52","","10467","10480","10.1021/ic4013558","","","0.71073","MoKα","","0.0661","0.0471","","","0.1068","0.1136","","","","","","0.993","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335955","30.8054","0.0016","10.2837","0.0002","25.181","0.004","90","","116.305","0.006","90","","7151.1","1.3","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 F3 Fe N5 O3 S2 -","- C35 H40 F3 Fe N5 O3 S2 -","- C280 H320 F24 Fe8 N40 O24 S16 -","8","1","","Leland R. Widger; Yunbo Jiang; Maxime A. Siegler; Devesh Kumar; Reza Latifi; Sam P. de Visser; Guy N. L. Jameson; David P. Goldberg","Synthesis and Ligand Non-Innocence of Thiolate-Ligated (N4S) Iron(II) and Nickel(II) Bis(imino)pyridine Complexes","Inorganic Chemistry","2013","52","","10467","10480","10.1021/ic4013558","","","0.71073","MoKα","","0.0474","0.0314","","","0.0756","0.0796","","","","","","1.026","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335956","19.5713","0.0004","10.9561","0.0002","19.7953","0.0003","90","","103.752","0.0018","90","","4122.94","0.13","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H60 Fe N5 O2 S -","- C42 H60 Fe N5 O2 S -","- C168 H240 Fe4 N20 O8 S4 -","4","1","","Leland R. Widger; Yunbo Jiang; Maxime A. Siegler; Devesh Kumar; Reza Latifi; Sam P. de Visser; Guy N. L. Jameson; David P. Goldberg","Synthesis and Ligand Non-Innocence of Thiolate-Ligated (N4S) Iron(II) and Nickel(II) Bis(imino)pyridine Complexes","Inorganic Chemistry","2013","52","","10467","10480","10.1021/ic4013558","","","0.71073","MoKα","","0.0542","0.0379","","","0.0823","0.0879","","","","","","1.035","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335957","15.13933","0.00017","13.80648","0.00015","13.94752","0.00016","90","","95.0548","0.001","90","","2903.98","0.06","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 B Cl2 F4 N3 Ni S -","- C28 H32 B Cl2 F4 N3 Ni S -","- C112 H128 B4 Cl8 F16 N12 Ni4 S4 -","4","1","","Leland R. Widger; Yunbo Jiang; Maxime A. Siegler; Devesh Kumar; Reza Latifi; Sam P. de Visser; Guy N. L. Jameson; David P. Goldberg","Synthesis and Ligand Non-Innocence of Thiolate-Ligated (N4S) Iron(II) and Nickel(II) Bis(imino)pyridine Complexes","Inorganic Chemistry","2013","52","","10467","10480","10.1021/ic4013558","","","0.71073","MoKα","","0.0497","0.0352","","","0.0937","0.0974","","","","","","1.018","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335958","6.3325","0.0002","6.7148","0.0002","6.753","0.0002","81.325","0.001","67.101","0.001","72.542","0.001","252.144","0.013","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Ba2 Na2 O2 S4 U -","- Ba2 Na2 O2 S4 U -","- Ba2 Na2 O2 S4 U -","1","0.5","","Matthew D. Ward; Jordan M. Klingsporn; James A. Ibers","Synthesis and Structure of the [(UO2)S4]6- Anion: A Cation-Stabilized Uranyl Sulfide","Inorganic Chemistry","2013","52","","10220","10222","10.1021/ic401382g","","","0.71073","MoKα","","0.0134","0.0134","","","0.0354","0.0354","","","","","","1.436","","","","has coordinates","179462","2020-10-21","18:00:00",""
"4335959","9.3811","0.0002","12.4639","0.0004","6.3211","0.0002","90","","104.566","0.002","90","","715.34","0.04","90","","90","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0217","0.022","","0.023","","0.023","","","1.278","","","1.28","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335960","9.3851","0.0002","12.4788","0.0004","6.3235","0.0002","90","","104.573","0.002","90","","716.75","0.04","130","","130","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0215","0.022","","0.022","","0.022","","","1.424","","","1.42","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335961","9.3926","0.0002","12.4986","0.0004","6.329","0.0002","90","","104.598","0.002","90","","719","0.04","170","","170","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0211","0.021","","0.02","","0.02","","","1.287","","","1.29","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335962","9.3974","0.0002","12.5143","0.0004","6.3347","0.0002","90","","104.625","0.002","90","","720.83","0.04","210","","210","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.02","0.02","","0.021","","0.021","","","1.3","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335963","9.3982","0.0002","12.5275","0.0004","6.3404","0.0002","90","","104.657","0.002","90","","722.2","0.04","240","","240","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0205","0.021","","0.021","","0.021","","","1.261","","","1.26","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335964","9.3991","0.0002","12.5403","0.0004","6.3465","0.0002","90","","104.683","0.002","90","","723.62","0.04","270","","270","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.02","0.02","","0.021","","0.021","","","1.366","","","1.37","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335965","9.3985","0.0002","12.556","0.0003","6.354","0.0002","90","","104.716","0.0013","90","","725.22","0.03","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 O14 Rb2 Se2 -","- Cu H12 O14 Rb2 Se2 -","- Cu2 H24 O28 Rb4 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0204","0.02","","0.022","","0.022","","","1.544","","","1.54","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335966","9.3532","0.0003","12.4355","0.0003","6.3154","0.0002","90","","104.496","0.001","90","","711.17","0.04","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.248 O14 Rb1.752 Se2 -","- Cu H12 K0.248 O14 Rb1.752 Se2 -","- Cu2 H24 K0.496 O28 Rb3.504 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0242","0.024","","0.026","","0.026","","","1.576","","","1.58","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335967","9.3578","0.0003","12.449","0.0003","6.3189","0.0002","90","","104.518","0.002","90","","712.62","0.04","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.268 O14 Rb1.732 Se2 -","- Cu H12 K0.268 O14 Rb1.7314 Se2 -","- Cu2 H24 K0.536 O28 Rb3.4628 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0247","0.025","","0.027","","0.027","","","1.692","","","1.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335968","9.3636","0.0002","12.4659","0.0002","6.3238","0.0001","90","","104.549","0.0011","90","","714.48","0.02","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.26 O14 Rb1.74 Se2 -","- Cu H12 K0.26 O14 Rb1.74 Se2 -","- Cu2 H24 K0.52 O28 Rb3.48 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0223","0.022","","0.021","","0.021","","","1.528","","","1.53","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335969","9.3683","0.0003","12.4828","0.0004","6.3321","0.0002","90","","104.586","0.002","90","","716.63","0.04","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.25 O14 Rb1.75 Se2 -","- Cu H12 K0.25 O14 Rb1.7496 Se2 -","- Cu2 H24 K0.5 O28 Rb3.4992 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0279","0.028","","0.028","","0.028","","","1.523","","","1.52","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335970","9.3688","0.0003","12.4969","0.0004","6.3379","0.0002","90","","104.615","0.002","90","","718.04","0.04","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.252 O14 Rb1.748 Se2 -","- Cu H12 K0.2518 O14 Rb1.748 Se2 -","- Cu2 H24 K0.5036 O28 Rb3.496 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0295","0.03","","0.03","","0.03","","","1.593","","","1.59","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335971","9.37","0.0002","12.5081","0.0002","6.3463","0.0001","90","","104.622","0.0012","90","","719.7","0.02","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.258 O14 Rb1.742 Se2 -","- Cu H12 K0.2578 O14 Rb1.7422 Se2 -","- Cu2 H24 K0.5156 O28 Rb3.4844 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0226","0.023","","0.023","","0.023","","","1.617","","","1.62","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335972","9.366","0.0004","12.5179","0.0005","6.3535","0.0003","90","","104.642","0.002","90","","720.71","0.05","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.246 O14 Rb1.754 Se2 -","- Cu H12 K0.246 O14 Rb1.754 Se2 -","- Cu2 H24 K0.492 O28 Rb3.508 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0277","0.028","","0.029","","0.029","","","1.47","","","1.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335973","9.3342","0.0003","12.4193","0.0003","6.3112","0.0002","90","","104.419","0.001","90","","708.58","0.04","85","","85","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.519 O14 Rb1.481 Se2 -","- Cu H12 K0.518 O14 Rb1.4812 Se2 -","- Cu2 H24 K1.036 O28 Rb2.9624 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0198","0.02","","0.021","","0.021","","","1.345","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335974","9.3295","0.0003","12.4126","0.0003","6.3095","0.0002","90","","104.419","0.0012","90","","707.65","0.04","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.534 O14 Rb1.466 Se2 -","- Cu H12 K0.534 O14 Rb1.466 Se2 -","- Cu2 H24 K1.068 O28 Rb2.932 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0208","0.021","","0.021","","0.021","","","1.198","","","1.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335975","9.3381","0.0003","12.4331","0.0003","6.3163","0.0002","90","","104.445","0.002","90","","710.15","0.04","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.526 O14 Rb1.474 Se2 -","- Cu H12 K0.526 O14 Rb1.4742 Se2 -","- Cu2 H24 K1.052 O28 Rb2.9484 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.021","0.021","","0.022","","0.022","","","1.242","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335976","9.3399","0.0003","12.4495","0.0003","6.3246","0.0002","90","","104.466","0.001","90","","712.09","0.04","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.52 O14 Rb1.48 Se2 -","- Cu H12 K0.52 O14 Rb1.4804 Se2 -","- Cu2 H24 K1.04 O28 Rb2.9608 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0188","0.019","","0.019","","0.019","","","1.239","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335977","9.3391","0.0003","12.4605","0.0003","6.3328","0.0002","90","","104.485","0.002","90","","713.52","0.04","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.523 O14 Rb1.477 Se2 -","- Cu H12 K0.524 O14 Rb1.4766 Se2 -","- Cu2 H24 K1.048 O28 Rb2.9532 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0184","0.018","","0.019","","0.019","","","1.237","","","1.24","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335978","9.3369","0.0003","12.4707","0.0003","6.3437","0.0002","90","","104.495","0.002","90","","715.13","0.04","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.52 O14 Rb1.48 Se2 -","- Cu H12 K0.52 O14 Rb1.4804 Se2 -","- Cu2 H24 K1.04 O28 Rb2.9608 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0184","0.018","","0.019","","0.019","","","1.326","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335979","9.3336","0.0003","12.4775","0.0004","6.3543","0.0002","90","","104.49","0.002","90","","716.48","0.04","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.527 O14 Rb1.473 Se2 -","- Cu H12 K0.528 O14 Rb1.473 Se2 -","- Cu2 H24 K1.056 O28 Rb2.946 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0214","0.021","","0.022","","0.022","","","1.545","","","1.54","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335980","9.3184","0.0001","12.3936","0.0002","6.3027","0.0001","90","","104.375","0.0009","90","","705.101","0.018","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.636 O14 Rb1.364 Se2 -","- Cu H12 K0.636 O14 Rb1.364 Se2 -","- Cu2 H24 K1.272 O28 Rb2.728 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0202","0.02","","0.022","","0.022","","","1.902","","","1.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335981","9.323","0.0002","12.4093","0.0004","6.3082","0.0002","90","","104.402","0.002","90","","706.87","0.04","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.628 O14 Rb1.372 Se2 -","- Cu H12 K0.628 O14 Rb1.372 Se2 -","- Cu2 H24 K1.256 O28 Rb2.744 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0211","0.021","","0.024","","0.024","","","1.635","","","1.63","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335982","9.3262","0.0002","12.4237","0.0004","6.3148","0.0002","90","","104.426","0.002","90","","708.6","0.04","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.636 O14 Rb1.364 Se2 -","- Cu H12 K0.636 O14 Rb1.3642 Se2 -","- Cu2 H24 K1.272 O28 Rb2.7284 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0193","0.019","","0.023","","0.023","","","1.685","","","1.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335983","9.3262","0.0002","12.4351","0.0004","6.3239","0.0002","90","","104.441","0.002","90","","710.23","0.04","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.63 O14 Rb1.37 Se2 -","- Cu H12 K0.63 O14 Rb1.3702 Se2 -","- Cu2 H24 K1.26 O28 Rb2.7404 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.02","0.02","","0.023","","0.023","","","1.676","","","1.68","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335984","9.3221","0.0002","12.444","0.0003","6.3348","0.0001","90","","104.429","0.0012","90","","711.68","0.03","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.643 O14 Rb1.357 Se2 -","- Cu H12 K0.642 O14 Rb1.3572 Se2 -","- Cu2 H24 K1.284 O28 Rb2.7144 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0214","0.021","","0.023","","0.023","","","1.976","","","1.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335985","9.3171","0.0002","12.4522","0.0004","6.3472","0.0002","90","","104.436","0.002","90","","713.14","0.04","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.64 O14 Rb1.36 Se2 -","- Cu H12 K0.642 O14 Rb1.359 Se2 -","- Cu2 H24 K1.284 O28 Rb2.718 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0217","0.022","","0.024","","0.024","","","1.767","","","1.77","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335986","9.3153","0.0002","12.4599","0.0003","6.3572","0.0002","90","","104.431","0.001","90","","714.58","0.03","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.638 O14 Rb1.362 Se2 -","- Cu H12 K0.638 O14 Rb1.3624 Se2 -","- Cu2 H24 K1.276 O28 Rb2.7248 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0223","0.022","","0.023","","0.023","","","1.703","","","1.7","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335987","9.3154","0.0002","12.4668","0.0005","6.3599","0.0003","90","","104.445","0.002","90","","715.25","0.05","310","","310","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.632 O14 Rb1.368 Se2 -","- Cu H12 K0.632 O14 Rb1.3676 Se2 -","- Cu2 H24 K1.264 O28 Rb2.7352 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0228","0.023","","0.025","","0.025","","","1.468","","","1.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335988","9.3158","0.0003","12.4672","0.0006","6.3623","0.0003","90","","104.443","0.003","90","","715.58","0.05","315","","315","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.636 O14 Rb1.364 Se2 -","- Cu H12 K0.636 O14 Rb1.364 Se2 -","- Cu2 H24 K1.272 O28 Rb2.728 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0258","0.026","","0.027","","0.027","","","1.502","","","1.5","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335989","9.3092","0.0002","12.3748","0.0003","6.2996","0.0002","90","","104.334","0.002","90","","703.12","0.03","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.711 O14 Rb1.289 Se2 -","- Cu H12 K0.712 O14 Rb1.2888 Se2 -","- Cu2 H24 K1.424 O28 Rb2.5776 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0177","0.018","","0.02","","0.02","","","1.326","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335990","9.3121","0.0002","12.3865","0.0005","6.3033","0.0002","90","","104.36","0.002","90","","704.33","0.04","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.72 O14 Rb1.28 Se2 -","- Cu H12 K0.72 O14 Rb1.2802 Se2 -","- Cu2 H24 K1.44 O28 Rb2.5604 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0203","0.02","","0.024","","0.024","","","1.371","","","1.37","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335991","9.3147","0.0002","12.4","0.0004","6.3096","0.0002","90","","104.381","0.002","90","","705.94","0.04","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.714 O14 Rb1.286 Se2 -","- Cu H12 K0.714 O14 Rb1.2852 Se2 -","- Cu2 H24 K1.428 O28 Rb2.5704 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0191","0.019","","0.023","","0.023","","","1.328","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335992","9.314","0.0002","12.4145","0.0004","6.3209","0.0002","90","","104.396","0.002","90","","707.93","0.04","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.714 O14 Rb1.286 Se2 -","- Cu H12 K0.714 O14 Rb1.2858 Se2 -","- Cu2 H24 K1.428 O28 Rb2.5716 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0216","0.022","","0.026","","0.026","","","1.508","","","1.51","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335993","9.3094","0.0002","12.4242","0.0003","6.3357","0.0001","90","","104.374","0.0012","90","","709.86","0.03","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.724 O14 Rb1.276 Se2 -","- Cu H12 K0.724 O14 Rb1.276 Se2 -","- Cu2 H24 K1.448 O28 Rb2.552 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0213","0.021","","0.024","","0.024","","","1.713","","","1.71","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335994","9.3017","0.0002","12.4232","0.0004","6.3417","0.0002","90","","104.379","0.002","90","","709.87","0.04","255","","255","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.716 O14 Rb1.284 Se2 -","- Cu H12 K0.716 O14 Rb1.2842 Se2 -","- Cu2 H24 K1.432 O28 Rb2.5684 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0227","0.023","","0.026","","0.026","","","1.527","","","1.53","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335995","9.3002","0.0001","12.4295","0.0002","6.3517","0.0001","90","","104.358","0.0009","90","","711.302","0.018","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.734 O14 Rb1.266 Se2 -","- Cu H12 K0.734 O14 Rb1.2656 Se2 -","- Cu2 H24 K1.468 O28 Rb2.5312 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0194","0.019","","0.019","","0.019","","","1.618","","","1.62","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335996","9.3021","0.0002","12.4428","0.0004","6.3617","0.0002","90","","104.36","0.002","90","","713.32","0.04","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.718 O14 Rb1.282 Se2 -","- Cu H12 K0.7176 O14 Rb1.2824 Se2 -","- Cu2 H24 K1.4352 O28 Rb2.5648 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0209","0.021","","0.023","","0.023","","","1.325","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335997","9.3054","0.0004","12.3738","0.0005","6.2993","0.0003","90","","104.337","0.002","90","","702.73","0.05","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.795 O14 Rb1.205 Se2 -","- Cu H12 K0.794 O14 Rb1.2054 Se2 -","- Cu2 H24 K1.588 O28 Rb2.4108 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0223","0.022","","0.023","","0.023","","","1.266","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335998","9.3083","0.0003","12.3865","0.0004","6.3022","0.0002","90","","104.344","0.002","90","","703.97","0.04","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.78 O14 Rb1.22 Se2 -","- Cu H12 K0.78 O14 Rb1.22 Se2 -","- Cu2 H24 K1.56 O28 Rb2.44 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0207","0.021","","0.021","","0.021","","","1.257","","","1.26","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335999","9.3089","0.0003","12.3982","0.0004","6.3087","0.0001","90","","104.356","0.002","90","","705.37","0.03","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.78 O14 Rb1.22 Se2 -","- Cu H12 K0.786 O14 Rb1.2196 Se2 -","- Cu2 H24 K1.572 O28 Rb2.4392 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0215","0.021","","0.021","","0.021","","","1.364","","","1.36","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336000","9.3084","0.0003","12.4065","0.0005","6.3159","0.0001","90","","104.357","0.002","90","","706.61","0.04","190","","190","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.772 O14 Rb1.228 Se2 -","- Cu H12 K0.772 O14 Rb1.2282 Se2 -","- Cu2 H24 K1.544 O28 Rb2.4564 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0216","0.022","","0.022","","0.022","","","1.382","","","1.38","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336001","9.3032","0.0003","12.41","0.0005","6.323","0.0001","90","","104.351","0.002","90","","707.23","0.04","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.787 O14 Rb1.213 Se2 -","- Cu H12 K0.788 O14 Rb1.2126 Se2 -","- Cu2 H24 K1.576 O28 Rb2.4252 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.024","0.024","","0.026","","0.026","","","1.655","","","1.65","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336002","9.2933","0.0003","12.4104","0.0005","6.3347","0.0002","90","","104.314","0.002","90","","707.92","0.04","225","","225","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.782 O14 Rb1.218 Se2 -","- Cu H12 K0.782 O14 Rb1.219 Se2 -","- Cu2 H24 K1.564 O28 Rb2.438 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0276","0.028","","0.028","","0.028","","","1.812","","","1.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336003","9.29","0.0004","12.4107","0.0005","6.3395","0.0002","90","","104.306","0.002","90","","708.25","0.05","230","","230","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.77 O14 Rb1.23 Se2 -","- Cu H12 K0.77 O14 Rb1.2294 Se2 -","- Cu2 H24 K1.54 O28 Rb2.4588 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0264","0.026","","0.027","","0.027","","","1.693","","","1.69","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336004","9.2822","0.0003","12.4069","0.0005","6.3455","0.0002","90","","104.282","0.002","90","","708.18","0.04","235","","235","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.786 O14 Rb1.214 Se2 -","- Cu H12 K0.786 O14 Rb1.214 Se2 -","- Cu2 H24 K1.572 O28 Rb2.428 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0264","0.026","","0.027","","0.027","","","1.678","","","1.68","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336005","9.281","0.0003","12.4109","0.0005","6.3544","0.0001","90","","104.26","0.002","90","","709.38","0.04","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.772 O14 Rb1.228 Se2 -","- Cu H12 K0.772 O14 Rb1.2284 Se2 -","- Cu2 H24 K1.544 O28 Rb2.4568 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0236","0.024","","0.025","","0.025","","","1.654","","","1.65","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336006","9.2809","0.0003","12.4147","0.0004","6.3593","0.0001","90","","104.258","0.002","90","","710.15","0.03","255","","255","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.782 O14 Rb1.218 Se2 -","- Cu H12 K0.782 O14 Rb1.218 Se2 -","- Cu2 H24 K1.564 O28 Rb2.436 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0207","0.021","","0.021","","0.021","","","1.431","","","1.43","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336007","9.2844","0.0003","12.4217","0.0005","6.362","0.0002","90","","104.265","0.002","90","","711.09","0.04","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.77 O14 Rb1.23 Se2 -","- Cu H12 K0.77 O14 Rb1.2296 Se2 -","- Cu2 H24 K1.54 O28 Rb2.4592 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0203","0.02","","0.02","","0.02","","","1.342","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336008","9.2922","0.0002","12.4333","0.0003","6.3652","0.0002","90","","104.295","0.0013","90","","712.62","0.03","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.784 O14 Rb1.216 Se2 -","- Cu H12 K0.784 O14 Rb1.2164 Se2 -","- Cu2 H24 K1.568 O28 Rb2.4328 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0187","0.019","","0.02","","0.02","","","1.408","","","1.41","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336009","9.2979","0.0002","12.3626","0.0003","6.2966","0.0002","90","","104.31","0.0013","90","","701.31","0.03","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.831 O14 Rb1.169 Se2 -","- Cu H12 K0.831 O14 Rb1.168 Se2 -","- Cu2 H24 K1.662 O28 Rb2.336 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0202","0.02","","0.021","","0.021","","","1.285","","","1.28","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336010","9.3035","0.0002","12.3798","0.0003","6.3023","0.0002","90","","104.329","0.0013","90","","703.29","0.03","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.82 O14 Rb1.18 Se2 -","- Cu H12 K0.8204 O14 Rb1.18 Se2 -","- Cu2 H24 K1.6408 O28 Rb2.36 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0191","0.019","","0.021","","0.021","","","1.364","","","1.36","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336011","9.307","0.0002","12.3932","0.0003","6.3092","0.0002","90","","104.346","0.0012","90","","705.03","0.03","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.821 O14 Rb1.179 Se2 -","- Cu H12 K0.826 O14 Rb1.1746 Se2 -","- Cu2 H24 K1.652 O28 Rb2.3492 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.02","0.02","","0.021","","0.021","","","1.394","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336012","9.3055","0.0002","12.4003","0.0003","6.3154","0.0002","90","","104.339","0.0013","90","","706.04","0.03","190","","190","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.821 O14 Rb1.179 Se2 -","- Cu H12 K0.822 O14 Rb1.1788 Se2 -","- Cu2 H24 K1.644 O28 Rb2.3576 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0212","0.021","","0.024","","0.024","","","1.614","","","1.61","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336013","9.2928","0.0003","12.3922","0.0004","6.3269","0.0002","90","","104.297","0.002","90","","706.03","0.04","200","","200","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.82 O14 Rb1.18 Se2 -","- Cu H12 K0.82 O14 Rb1.18 Se2 -","- Cu2 H24 K1.64 O28 Rb2.36 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0381","0.038","","0.039","","0.039","","","2.455","","","2.45","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336014","9.2511","0.0003","12.3828","0.0003","6.3675","0.0002","90","","104.071","0.0013","90","","707.54","0.04","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.824 O14 Rb1.176 Se2 -","- Cu H12 K0.824 O14 Rb1.176 Se2 -","- Cu2 H24 K1.648 O28 Rb2.352 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0199","0.02","","0.022","","0.022","","","1.435","","","1.43","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336015","9.2644","0.0002","12.3968","0.0003","6.3637","0.0002","90","","104.16","0.0013","90","","708.66","0.03","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.816 O14 Rb1.184 Se2 -","- Cu H12 K0.816 O14 Rb1.1842 Se2 -","- Cu2 H24 K1.632 O28 Rb2.3684 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0192","0.019","","0.021","","0.021","","","1.435","","","1.43","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336016","9.2763","0.0002","12.4118","0.0003","6.3643","0.0002","90","","104.22","0.0013","90","","710.3","0.03","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.828 O14 Rb1.172 Se2 -","- Cu H12 K0.828 O14 Rb1.1722 Se2 -","- Cu2 H24 K1.656 O28 Rb2.3444 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0186","0.019","","0.02","","0.02","","","1.393","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336017","9.2833","0.0002","12.4218","0.0003","6.3657","0.0002","90","","104.252","0.002","90","0.03","711.47","0.03","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.81 O14 Rb1.19 Se2 -","- Cu H12 K0.81 O14 Rb1.19 Se2 -","- Cu2 H24 K1.62 O28 Rb2.38 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0184","0.018","","0.02","","0.02","","","1.397","","","1.4","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336018","9.2009","0.0002","12.3225","0.0003","6.3582","0.0002","90","","103.729","0.0013","90","","700.28","0.03","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.012 O14 Rb0.988 Se2 -","- Cu H12 K1.012 O14 Rb0.987 Se2 -","- Cu2 H24 K2.024 O28 Rb1.974 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0193","0.019","","0.02","","0.02","","","1.291","","","1.29","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336019","9.2132","0.0002","12.3355","0.0003","6.3628","0.0002","90","","103.783","0.002","90","","702.31","0.03","130","","130","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.008 O14 Rb0.992 Se2 -","- Cu H12 K1.008 O14 Rb0.9914 Se2 -","- Cu2 H24 K2.016 O28 Rb1.9828 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0194","0.019","","0.02","","0.02","","","1.214","","","1.21","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336020","9.2205","0.0002","12.3439","0.0003","6.3635","0.0002","90","","103.853","0.0013","90","","703.21","0.03","170","","170","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.996 O14 Rb1.004 Se2 -","- Cu H12 K0.996 O14 Rb1.0048 Se2 -","- Cu2 H24 K1.992 O28 Rb2.0096 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0179","0.018","","0.019","","0.019","","","1.324","","","1.32","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336021","9.2356","0.0004","12.3614","0.0006","6.3658","0.0003","90","","103.935","0.003","90","","705.36","0.06","210","","210","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.999 O14 Rb1.001 Se2 -","- Cu H12 K O14 Rb1.0006 Se2 -","- Cu2 H24 K2 O28 Rb2.0012 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0203","0.02","","0.023","","0.023","","","1.185","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336022","9.245","0.0002","12.373","0.0003","6.3648","0.0002","90","","104.009","0.001","90","","706.41","0.03","240","","240","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.979 O14 Rb1.021 Se2 -","- Cu H12 K0.9794 O14 Rb1.02 Se2 -","- Cu2 H24 K1.9588 O28 Rb2.04 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0185","0.018","","0.019","","0.019","","","1.271","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336023","9.2572","0.0003","12.3887","0.0004","6.3667","0.0002","90","","104.062","0.002","90","","708.28","0.04","270","","270","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.994 O14 Rb1.006 Se2 -","- Cu H12 K0.994 O14 Rb1.0066 Se2 -","- Cu2 H24 K1.988 O28 Rb2.0132 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.019","0.019","","0.021","","0.021","","","1.328","","","1.33","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336024","9.2654","0.0002","12.4017","0.0004","6.3686","0.0002","90","","104.114","0.002","90","","709.7","0.04","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K0.979 O14 Rb1.021 Se2 -","- Cu H12 K0.978 O14 Rb1.0212 Se2 -","- Cu2 H24 K1.956 O28 Rb2.0424 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0186","0.019","","0.02","","0.02","","","1.363","","","1.36","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336025","9.1628","0.0002","12.2679","0.0003","6.3358","0.0002","90","","103.367","0.001","90","","692.9","0.03","90","","90","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.456 O14 Rb0.544 Se2 -","- Cu H12 K1.456 O14 Rb0.5442 Se2 -","- Cu2 H24 K2.912 O28 Rb1.0884 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0212","0.021","","0.022","","0.022","","","1.344","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336026","9.1728","0.0002","12.2762","0.0003","6.3399","0.0002","90","","103.437","0.001","90","","694.38","0.03","140","","140","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.465 O14 Rb0.535 Se2 -","- Cu H12 K1.465 O14 Rb0.534 Se2 -","- Cu2 H24 K2.93 O28 Rb1.068 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0203","0.02","","0.02","","0.02","","","1.283","","","1.28","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336027","9.1885","0.0002","12.2942","0.0003","6.3469","0.0001","90","","103.517","0.0013","90","","697.12","0.03","190","","190","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.459 O14 Rb0.541 Se2 -","- Cu H12 K1.4586 O14 Rb0.542 Se2 -","- Cu2 H24 K2.9172 O28 Rb1.084 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0204","0.02","","0.02","","0.02","","","1.37","","","1.37","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336028","9.194","0.0002","12.3017","0.0003","6.3483","0.0002","90","","103.591","0.001","90","","697.9","0.03","220","","220","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.451 O14 Rb0.549 Se2 -","- Cu H12 K1.4508 O14 Rb0.55 Se2 -","- Cu2 H24 K2.9016 O28 Rb1.1 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0204","0.02","","0.021","","0.021","","","1.396","","","1.4","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336029","9.2045","0.0002","12.3143","0.0004","6.3515","0.0002","90","","103.654","0.002","90","","699.58","0.04","250","","250","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.446 O14 Rb0.554 Se2 -","- Cu H12 K1.4458 O14 Rb0.554 Se2 -","- Cu2 H24 K2.8916 O28 Rb1.108 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0207","0.021","","0.021","","0.021","","","1.393","","","1.39","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336030","9.2207","0.0002","12.3347","0.0003","6.3561","0.0002","90","","103.767","0.002","90","","702.14","0.03","298","","298","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K1.456 O14 Rb0.544 Se2 -","- Cu H12 K1.4564 O14 Rb0.544 Se2 -","- Cu2 H24 K2.9128 O28 Rb1.088 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0184","0.018","","0.02","","0.02","","","1.339","","","1.34","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336031","9.1216","0.0001","12.2177","0.0002","6.3082","0.0001","90","","102.934","0.0007","90","","685.181","0.017","85","","85","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0213","0.021","","0.025","","0.025","","","1.443","","","1.44","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336032","9.1392","0.0001","12.2346","0.0002","6.3211","0.0001","90","","103.048","0.0007","90","","688.543","0.017","170","","170","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0202","0.02","","0.024","","0.024","","","1.495","","","1.5","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336033","9.1496","0.0002","12.2443","0.0003","6.327","0.0001","90","","103.154","0.001","90","","690.22","0.03","210","","210","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0177","0.018","","0.021","","0.021","","","1.437","","","1.44","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336034","9.1617","0.0002","12.2559","0.0003","6.3327","0.0002","90","","103.183","0.0008","90","","692.33","0.03","240","","240","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0188","0.019","","0.022","","0.022","","","1.392","","","1.39","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336035","9.1771","0.0001","12.2753","0.0002","6.3405","0.0001","90","","103.321","0.0008","90","","695.05","0.018","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0209","0.021","","0.023","","0.023","","","1.389","","","1.39","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336036","9.1826","0.0005","12.2882","0.0009","6.3449","0.0005","90","","103.368","0.004","90","","696.55","0.08","320","","320","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- Cu H12 K2 O14 Se2 -","- Cu H12 K2 O14 Se2 -","- Cu2 H24 K4 O28 Se4 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0211","0.021","","0.027","","0.027","","","1.294","","","1.29","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336037","9.214","0.0002","12.3957","0.0003","6.2785","0.0001","90","","104.201","0.0012","90","","695.18","0.03","298","","298","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H12 K2 O14 Se2 Zn -","- H12 K2 O14 Se2 Zn -","- H24 K4 O28 Se4 Zn2 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0173","0.017","","0.019","","0.019","","","1.426","","","1.43","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336038","9.3149","0.0002","12.5466","0.0003","6.3433","0.0001","90","","105.025","0.0013","90","","716","0.03","100","","100","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- H12 O14 Rb2 Se2 Zn -","- H12 O14 Rb2 Se2 Zn -","- H24 O28 Rb4 Se4 Zn2 -","2","0.5","","Charles J. Simmons; Horst Stratemeier; Michael A. Hitchman; Mark J. Riley","Influence of Lattice Interactions on the Jahn-Teller Distortion of the [Cu(H2O)6]2+ Ion: Dependence of the Crystal Structure of K2xRb2-2x[Cu(H2O)6](SeO4)2 upon the K/Rb Ratio","Inorganic Chemistry","2013","52","","10481","10499","10.1021/ic401385f","","","0.7107","MoKα","","0.0191","0.019","","0.021","","0.021","","","1.421","","","1.42","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336039","9.7883","0.0003","12.3108","0.0004","13.7024","0.0005","74.687","0.002","89.878","0.002","75.567","0.002","1538.69","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H25 Ir N6 O3 -","- C31 H25 Ir N5.5 O1.5 -","- C62 H50 Ir2 N11 O3 -","2","1","","Daniel Sykes; Simon C. Parker; Igor V. Sazanovich; Andrew Stephenson; Julia A. Weinstein; Michael D. Ward","d\ρightarrowf Energy Transfer in Ir(III)/Eu(III) Dyads: Use of a Naphthyl Spacer as a Spatial and Energetic ""Stepping Stone""","Inorganic Chemistry","2013","52","","10500","10511","10.1021/ic401410g","","","0.71073","MoKα","","0.0836","0.0685","","","0.1943","0.2075","","","","","","1.1","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336040","9.748","0.0006","12.7477","0.0008","14.49","0.0009","88","0.003","70.511","0.003","69.778","0.003","1586.2","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H23 Cl2 F4 Ir N6 O3 -","- C32 H23 Cl2 F4 Ir N6 O3 -","- C64 H46 Cl4 F8 Ir2 N12 O6 -","2","1","","Daniel Sykes; Simon C. Parker; Igor V. Sazanovich; Andrew Stephenson; Julia A. Weinstein; Michael D. Ward","d\ρightarrowf Energy Transfer in Ir(III)/Eu(III) Dyads: Use of a Naphthyl Spacer as a Spatial and Energetic ""Stepping Stone""","Inorganic Chemistry","2013","52","","10500","10511","10.1021/ic401410g","","","0.71073","MoKα","","0.0451","0.0399","","","0.1058","0.116","","","","","","1.09","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336041","12.3327","0.0004","12.735","0.0004","31.5659","0.0009","90","","90","","90","","4957.6","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H40 Cl2 Ir N9 O3 -","- C51 H40 Cl2 Ir N9 O3 -","- C204 H160 Cl8 Ir4 N36 O12 -","4","1","","Daniel Sykes; Simon C. Parker; Igor V. Sazanovich; Andrew Stephenson; Julia A. Weinstein; Michael D. Ward","d\ρightarrowf Energy Transfer in Ir(III)/Eu(III) Dyads: Use of a Naphthyl Spacer as a Spatial and Energetic ""Stepping Stone""","Inorganic Chemistry","2013","52","","10500","10511","10.1021/ic401410g","","","0.71073","MoKα","","0.0678","0.0553","","","0.1303","0.1361","","","","","","1.032","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336042","12.7674","0.0005","12.8208","0.0005","31.9764","0.0015","90","","90","","90","","5234.2","0.4","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H40 Cl6 F4 Ir N9 O3 -","- C53 H40 Cl6 F4 Ir N9 O3 -","- C212 H160 Cl24 F16 Ir4 N36 O12 -","4","1","","Daniel Sykes; Simon C. Parker; Igor V. Sazanovich; Andrew Stephenson; Julia A. Weinstein; Michael D. Ward","d\ρightarrowf Energy Transfer in Ir(III)/Eu(III) Dyads: Use of a Naphthyl Spacer as a Spatial and Energetic ""Stepping Stone""","Inorganic Chemistry","2013","52","","10500","10511","10.1021/ic401410g","","","0.71073","MoKα","","0.0713","0.0606","","","0.1362","0.1407","","","","","","1.1","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336043","11.6412","0.0003","37.024","0.0011","11.0781","0.0003","90","","90.0004","0.0012","90","","4774.7","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H38 Cl4 F4 Ir N9 O3 -","- C52 H38 Cl4 F4 Ir N9 O3 -","- C208 H152 Cl16 F16 Ir4 N36 O12 -","4","1","","Daniel Sykes; Simon C. Parker; Igor V. Sazanovich; Andrew Stephenson; Julia A. Weinstein; Michael D. Ward","d\ρightarrowf Energy Transfer in Ir(III)/Eu(III) Dyads: Use of a Naphthyl Spacer as a Spatial and Energetic ""Stepping Stone""","Inorganic Chemistry","2013","52","","10500","10511","10.1021/ic401410g","","","0.71073","MoKα","","0.0338","0.0273","","","0.0527","0.0544","","","","","","1.126","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336044","7.6907","0.0003","14.895","0.0005","13.1091","0.0004","90","","104.169","0.001","90","","1456","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H13 N5 O13 Pt -","- C4 H13 N5 O13 Pt -","- C16 H52 N20 O52 Pt4 -","4","1","","Danila Vasilchenko; Sergey Tkachev; Iraida Baidina; Sergey Korenev","Speciation of Platinum(IV) in Nitric Acid Solutions","Inorganic Chemistry","2013","52","","10532","10541","10.1021/ic401499j","","","0.71073","MoKα","","0.0259","0.0194","","","0.0407","0.0419","","","","","","0.978","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336045","7.7948","0.0004","17.2938","0.0008","8.0747","0.0004","90","","98.569","0.001","90","","1076.33","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridinium hexanitratoplatinate(IV)","","- C10 H12 N8 O18 Pt -","- C10 H12 N8 O18 Pt -","- C20 H24 N16 O36 Pt2 -","2","0.5","","Danila Vasilchenko; Sergey Tkachev; Iraida Baidina; Sergey Korenev","Speciation of Platinum(IV) in Nitric Acid Solutions","Inorganic Chemistry","2013","52","","10532","10541","10.1021/ic401499j","","x-ray","0.71073","MoKα","","0.0242","0.0196","","","0.0357","0.0367","","","","","","1.199","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336046","14.7703","0.0002","16.2491","0.0002","19.612","0.0004","97.61","0.001","102.272","0.001","115.843","0.001","4001.55","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C106 H92 O4 U -","- C106 H92 O4 U -","- C212 H184 O8 U2 -","2","1","","Sebastian M. Franke; Ba L. Tran; Frank W. Heinemann; Wolfgang Hieringer; Daniel J. Mindiola; Karsten Meyer","Uranium(III) Complexes with Bulky Aryloxide Ligands Featuring Metal-Arene Interactions and Their Reactivity Toward Nitrous Oxide","Inorganic Chemistry","2013","52","","10552","10558","10.1021/ic401532j","","","0.71073","MoKα","","0.0322","0.0261","","","0.0573","0.0595","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336047","18.122","0.003","14.25","0.001","45.534","0.004","90","","113.209","0.01","90","","10807","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C141 H123 O3 U -","- C141 H123 O3 U -","- C564 H492 O12 U4 -","4","1","","Sebastian M. Franke; Ba L. Tran; Frank W. Heinemann; Wolfgang Hieringer; Daniel J. Mindiola; Karsten Meyer","Uranium(III) Complexes with Bulky Aryloxide Ligands Featuring Metal-Arene Interactions and Their Reactivity Toward Nitrous Oxide","Inorganic Chemistry","2013","52","","10552","10558","10.1021/ic401532j","","","0.71073","MoKα","","0.0479","0.0319","","","0.0625","0.0657","","","","","","1.215","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336048","13.8778","0.0012","23.844","0.002","27.602","0.003","87.859","0.004","76.249","0.004","87.606","0.005","8860.5","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C230 H206 O10 U2 -","- C230 H206 O10 U2 -","- C460 H412 O20 U4 -","2","1","","Sebastian M. Franke; Ba L. Tran; Frank W. Heinemann; Wolfgang Hieringer; Daniel J. Mindiola; Karsten Meyer","Uranium(III) Complexes with Bulky Aryloxide Ligands Featuring Metal-Arene Interactions and Their Reactivity Toward Nitrous Oxide","Inorganic Chemistry","2013","52","","10552","10558","10.1021/ic401532j","","","0.71073","MoKα","","0.1748","0.0925","","","0.1557","0.1835","","","","","","1.091","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336049","15.4746","0.0009","24.3295","0.0014","22.3941","0.0013","90","","91.892","0.001","90","","8426.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86 H68 Au4 Ni6 O10 P4 -","- C86 H68 Au4 Ni6 O10 P4 -","- C344 H272 Au16 Ni24 O40 P16 -","4","1","","Iacopo Ciabatti; Cristina Femoni; Maria Carmela Iapalucci; Andrea Ienco; Giuliano Longoni; Gabriele Manca; Stefano Zacchini","Intramolecular d10-d10Interactions in a Ni6C(CO)9(AuPPh3)4 Bimetallic Nickel-Gold Carbide Carbonyl Cluster","Inorganic Chemistry","2013","52","","10559","10565","10.1021/ic401540s","","","0.71073","MoKα","","0.0652","0.034","","","0.0692","0.0804","","","","","","1.007","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336050","15.493","0.002","22.922","0.004","24.49","0.004","90","","90.978","0.002","90","","8696","2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C89 H74 Au4 Ni6 O10 P4 -","- C89 H74 Au4 Ni6 O10 P4 -","- C356 H296 Au16 Ni24 O40 P16 -","4","1","","Iacopo Ciabatti; Cristina Femoni; Maria Carmela Iapalucci; Andrea Ienco; Giuliano Longoni; Gabriele Manca; Stefano Zacchini","Intramolecular d10-d10Interactions in a Ni6C(CO)9(AuPPh3)4 Bimetallic Nickel-Gold Carbide Carbonyl Cluster","Inorganic Chemistry","2013","52","","10559","10565","10.1021/ic401540s","","","0.71073","MoKα","","0.0959","0.0451","","","0.0967","0.1173","","","","","","1.005","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336051","10.9642","0.0003","10.9642","0.0003","17.033","0.0007","90","","90","","120","","1773.27","0.1","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- B9 Ba Li O15 -","- B9 Ba Li O15 -","- B54 Ba6 Li6 O90 -","6","0.166667","","Han-Qing Wu; Ping Ju; Huan He; Bai-Feng Yang; Guo-Yu Yang","Three New Mixed-Alkali- and Alkaline-Earth-Metal Borates: From 1D Chain to 2D Layer to 3D Framework","Inorganic Chemistry","2013","52","","10566","10570","10.1021/ic4015465","","","0.71073","MoKα","","0.0196","0.0145","","","0.0334","0.0351","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336052","9.0768","0.0003","12.922","0.0008","13.3452","0.0009","106.889","0.006","95.075","0.004","105.89","0.004","1416.32","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- B14 Ba2 H16 K4 O33 -","- B14 Ba2 H16 K4 O33 -","- B28 Ba4 H32 K8 O66 -","2","1","","Han-Qing Wu; Ping Ju; Huan He; Bai-Feng Yang; Guo-Yu Yang","Three New Mixed-Alkali- and Alkaline-Earth-Metal Borates: From 1D Chain to 2D Layer to 3D Framework","Inorganic Chemistry","2013","52","","10566","10570","10.1021/ic4015465","","","0.71073","MoKα","","0.0308","0.0231","","","0.0528","0.0554","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336053","6.6427","0.0016","11.005","0.003","11.33","0.005","61.42","0.03","72.954","0.019","72.434","0.014","682.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- B10 H3 Li O19 Sr2 -","- B10 H3 Li O19 Sr2 -","- B20 H6 Li2 O38 Sr4 -","2","1","","Han-Qing Wu; Ping Ju; Huan He; Bai-Feng Yang; Guo-Yu Yang","Three New Mixed-Alkali- and Alkaline-Earth-Metal Borates: From 1D Chain to 2D Layer to 3D Framework","Inorganic Chemistry","2013","52","","10566","10570","10.1021/ic4015465","","","0.71073","MoKα","","0.0455","0.0332","","","0.0614","0.0645","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336054","10.8727","0.0002","10.962","0.0001","12.5335","0.0002","111.099","0.0009","112.998","0.0008","97.0445","0.001","1221.13","0.04","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H27 Fe N7 S4 -","- C14 H27 Fe N7 S4 -","- C28 H54 Fe2 N14 S8 -","2","1","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller","First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition","Inorganic Chemistry","2013","52","","10583","10594","10.1021/ic401558f","","","0.71073","MoKα","","0.0405","0.0302","","","0.0698","0.0744","","","","","","1.044","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336055","24.6433","0.0002","11.30658","0.00011","24.9333","0.0003","90","","94.7301","0.0009","90","","6923.54","0.12","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 Co N6 S4 -","- C12 H24 Co N6 S4 -","- C144 H288 Co12 N72 S48 -","12","1.5","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller","First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition","Inorganic Chemistry","2013","52","","10583","10594","10.1021/ic401558f","powder diffraction","","0.700154","synchrotron","","","","","","","","","","2.031","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336056","10.7457","0.0007","10.7457","0.0007","14.4185","0.0013","90","","90","","90","","1664.9","0.2","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C10 H12 Fe N6 S2 -","- C10 H12 Fe N6 S2 -","- C40 H48 Fe4 N24 S8 -","4","0.5","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller","First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition","Inorganic Chemistry","2013","52","","10583","10594","10.1021/ic401558f","","","0.71073","MoKα","","0.0471","0.0437","","","0.1073","0.1103","","","","","","1.073","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336057","9.08966","0.00013","9.16685","0.00011","12.6894","0.0002","90","","90","","90","","1057.33","0.03","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H6 Cr N4 S2 -","- C6 H6 Cr N4 S2 -","- C24 H24 Cr4 N16 S8 -","4","1","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller","First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition","Inorganic Chemistry","2013","52","","10583","10594","10.1021/ic401558f","powder diffraction","","0.699768","synchrotron","","","","","","","","","","1.301","","","","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336058","9.0889","0.0013","9.0476","0.0013","13.1775","0.0018","90","","104.994","0.002","90","","1046.7","0.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 Mn N4 S2 -","- C6 H6 Mn N4 S2 -","- C24 H24 Mn4 N16 S8 -","4","1","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller","First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition","Inorganic Chemistry","2013","52","","10583","10594","10.1021/ic401558f","","","0.71073","MoKα","","0.026","0.0242","","","0.0754","0.0783","","","","","","1.073","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336059","10.0641","0.001","10.2026","0.0009","11.1551","0.0011","70.675","0.007","71.12","0.005","77.773","0.006","1015.66","0.18","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 Co3 N6 O6 S6 -","- C30 H48 Co3 N6 O6 S6 -","- C30 H48 Co3 N6 O6 S6 -","1","0.5","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller","First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition","Inorganic Chemistry","2013","52","","10583","10594","10.1021/ic401558f","","","0.71073","MoKα","","0.0817","0.0606","","","0.1674","0.1902","","","","","","1.106","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336060","15.2033","0.0003","10.0157","0.0002","16.1131","0.0003","90","","111.614","0.0013","90","","2281.05","0.08","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N2 O4 S2 V -","- C18 H32 N2 O4 S2 V -","- C72 H128 N8 O16 S8 V4 -","4","1","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller","First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition","Inorganic Chemistry","2013","52","","10583","10594","10.1021/ic401558f","","","0.71073","MoKα","","0.077","0.057","","","0.1493","0.1642","","","","","","1.044","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336061","14.9647","0.0008","9.9927","0.0005","15.9621","0.0008","90","","112.014","0.001","90","","2212.9","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N2 Ni O4 S2 -","- C18 H32 N2 Ni O4 S2 -","- C72 H128 N8 Ni4 O16 S8 -","4","1","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller","First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition","Inorganic Chemistry","2013","52","","10583","10594","10.1021/ic401558f","","","0.71073","MoKα","","0.0386","0.0308","","","0.0712","0.0769","","","","","","1.06","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336062","8.458801","0.000023","8.458801","0.000023","9.193656","0.000037","90","","90","","120","","569.687","0.003","295","","295","","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C6.75 K4 N6 O0.25 S6 V -","- C11.832 K4 N6 S6 V -","- C11.832 K4 N6 S6 V -","1","0.0416667","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller","First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition","Inorganic Chemistry","2013","52","","10583","10594","10.1021/ic401558f","powder diffraction","","0.697301","synchrotron","","","","","","","","","","2.324","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336063","8.451111","0.000078","8.451111","","9.16677","0.00017","90","","90","","120","","566.989","0.012","295","","295","","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C6.75 K4 N6 O0.25 S6 V -","- C11.6568 K4 N6 Ni S6 -","- C11.6568 K4 N6 Ni S6 -","1","0.0416667","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller","First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition","Inorganic Chemistry","2013","52","","10583","10594","10.1021/ic401558f","powder diffraction","","0.699974","synchrotron","","","","","","","","","","3.549","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336064","5.5742","0.0001","6.13885","0.00012","11.4552","0.0003","78.4226","0.0008","80.0358","0.0008","78.2382","0.0015","372.365","0.014","295","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H4 Fe N6 S2 -","- C14 H4 Fe N6 S2 -","- C14 H4 Fe N6 S2 -","1","0.5","","Endrit Shurdha; Curtis E. Moore; Arnold L. Rheingold; Saul H. Lapidus; Peter W. Stephens; Atta M. Arif; Joel S. Miller","First Row Transition Metal(II) Thiocyanate Complexes, and Formation of 1-, 2-, and 3-Dimensional Extended Network Structures of M(NCS)2(Solvent)2 (M = Cr, Mn, Co) Composition","Inorganic Chemistry","2013","52","","10583","10594","10.1021/ic401558f","powder diffraction","","0.700154","synchrotron","","","","","","","","","","1.346","","","","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336065","17.2495","0.0006","24.1036","0.0009","27.5893","0.001","90","","90","","90","","11470.9","0.7","83","2","83","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C45 H71 Cl4 F3 Fe2 N7 O10 S4 -","- C45 H71 Cl4 F3 Fe2 N7 O10 S4 -","- C360 H568 Cl32 F24 Fe16 N56 O80 S32 -","8","1","","Yohei Sano; Andrew C. Weitz; Joseph W. Ziller; Michael P. Hendrich; A. S. Borovik","Unsymmetrical Bimetallic Complexes with MII-(μ-OH)-MIII Cores (MIIMIII= FeIIFeIII, MnIIFeIII, MnIIMnIII): Structural, Magnetic, and Redox Properties","Inorganic Chemistry","2013","52","","10229","10231","10.1021/ic401561k","","","0.71073","MoKα","","0.0484","0.0348","","","0.0799","0.0872","","","","","","1.019","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4336066","17.2178","0.0015","24.17","0.002","27.664","0.002","90","","90","","90","","11512.5","1.6","83","2","83","2","","","","","","","","9","P b c a","-P 2ac 2ab","61","","","","- C45 H71 Cl4 F3 Fe Mn N7 O10 S4 -","- C45 H71 Cl4 F3 Fe Mn N7 O10 S4 -","- C360 H568 Cl32 F24 Fe8 Mn8 N56 O80 S32 -","8","1","","Yohei Sano; Andrew C. Weitz; Joseph W. Ziller; Michael P. Hendrich; A. S. Borovik","Unsymmetrical Bimetallic Complexes with MII-(μ-OH)-MIII Cores (MIIMIII= FeIIFeIII, MnIIFeIII, MnIIMnIII): Structural, Magnetic, and Redox Properties","Inorganic Chemistry","2013","52","","10229","10231","10.1021/ic401561k","","","0.71073","MoKα","","0.0512","0.0348","","","0.0817","0.0893","","","","","","1.023","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4336067","17.293","0.006","24.044","0.009","27.382","0.01","90","","90","","90","","11385","7","83","2","83","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C45 H71 Cl4 F3 Mn2 N7 O10 S4 -","- C45 H71 Cl4 F3 Mn2 N7 O10 S4 -","- C360 H568 Cl32 F24 Mn16 N56 O80 S32 -","8","1","","Yohei Sano; Andrew C. Weitz; Joseph W. Ziller; Michael P. Hendrich; A. S. Borovik","Unsymmetrical Bimetallic Complexes with MII-(μ-OH)-MIII Cores (MIIMIII= FeIIFeIII, MnIIFeIII, MnIIMnIII): Structural, Magnetic, and Redox Properties","Inorganic Chemistry","2013","52","","10229","10231","10.1021/ic401561k","","","0.71073","MoKα","","0.1505","0.0771","","","0.1765","0.2242","","","","","","1.052","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4336068","13.486","0.003","13.795","0.003","15.151","0.003","96.6595","0.0016","105.181","0.0018","112.184","0.0009","2445.1","0.9","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H46 Cl2 N8 O11 Zn2 -","- C49 H46 Cl2 N8 O11 Zn2 -","- C98 H92 Cl4 N16 O22 Zn4 -","2","1","","Yuji Mikata; Anna Ugai; Risa Ohnishi; Hideo Konno","Quantitative Fluorescent Detection of Pyrophosphate with Quinoline-Ligated Dinuclear Zinc Complexes","Inorganic Chemistry","2013","52","","10223","10225","10.1021/ic401605m","","","0.7107","MoKα","","","0.0338","","","","0.0926","","","","","","1.031","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336069","12.2765","0.0002","13.4499","0.0004","19.0401","0.0004","85.851","0.004","75.692","0.003","87.097","0.005","3036.61","0.13","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C63 H68 Cl N6 O16.5 P2 Zn2 -","- C63 H65 Cl N6 O16.5 P2 Zn2 -","- C126 H130 Cl2 N12 O33 P4 Zn4 -","2","1","","Yuji Mikata; Anna Ugai; Risa Ohnishi; Hideo Konno","Quantitative Fluorescent Detection of Pyrophosphate with Quinoline-Ligated Dinuclear Zinc Complexes","Inorganic Chemistry","2013","52","","10223","10225","10.1021/ic401605m","","","0.7107","MoKα","","","0.0509","","","","0.1483","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336070","30.962","0.008","15.421","0.004","23.672","0.006","90","","98.956","0.0018","90","","11165","5","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C53 H62 Cl N6 O16 P Zn2 -","- C53 H42 Cl N6 O16 P Zn2 -","- C424 H336 Cl8 N48 O128 P8 Zn16 -","8","1","","Yuji Mikata; Anna Ugai; Risa Ohnishi; Hideo Konno","Quantitative Fluorescent Detection of Pyrophosphate with Quinoline-Ligated Dinuclear Zinc Complexes","Inorganic Chemistry","2013","52","","10223","10225","10.1021/ic401605m","","","0.7107","MoKα","","","0.0606","","","","0.1585","","","","","","1.071","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336071","40.623","0.011","10.424","0.003","31.836","0.009","90","","117.997","0.003","90","","11903","6","153","","153","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H65 Cl N6 O15 P2 Zn2 -","- C63 H63 Cl N6 O15 P2 Zn2 -","- C504 H504 Cl8 N48 O120 P16 Zn16 -","8","1","","Yuji Mikata; Anna Ugai; Risa Ohnishi; Hideo Konno","Quantitative Fluorescent Detection of Pyrophosphate with Quinoline-Ligated Dinuclear Zinc Complexes","Inorganic Chemistry","2013","52","","10223","10225","10.1021/ic401605m","","","0.7107","MoKα","","","0.0806","","","","0.1962","","","","","","1.134","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336072","22.665","0.007","20.53","0.006","26.917","0.009","90","","101.224","0.003","90","","12285","7","153","","153","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H66.5 Cl N6 O18.75 P2 Zn2 -","- C59 H55 Cl N6 O18.75 P2 Zn2 -","- C472 H440 Cl8 N48 O150 P16 Zn16 -","8","1","","Yuji Mikata; Anna Ugai; Risa Ohnishi; Hideo Konno","Quantitative Fluorescent Detection of Pyrophosphate with Quinoline-Ligated Dinuclear Zinc Complexes","Inorganic Chemistry","2013","52","","10223","10225","10.1021/ic401605m","","","0.7107","MoKα","","","0.077","","","","0.2109","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336073","17.3978","0.0004","8.5162","0.0002","27.8993","0.0006","90","","90","","90","","4133.65","0.16","293","2","293","2","","","","","","","","5","P c a m","-P 2c 2ac","57","","Chloro(μ^4^-1,5-cyclooctadiene)[1,3-bis(2,4,6-triisopropylbenzyl) imidazol-2-ylidene]iridium(I)","","- C43 H64 Cl Ir N2 -","- C43 H64 Cl Ir N2 -","- C172 H256 Cl4 Ir4 N8 -","4","0.5","","Süleyman Gülcemal; Aytaç Gürhan Gökçe; Bekir Çetinkaya","N-Benzyl Substituted N-Heterocyclic Carbene Complexes of Iridium(I): Assessment in Transfer Hydrogenation Catalyst","Inorganic Chemistry","2013","52","","10601","10609","10.1021/ic401626e","","","0.71073","MoKα","","0.0602","0.0418","","","0.1111","0.1234","","","","","","1.051","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336074","16.8968","0.0002","16.8968","0.0002","32.295","0.0005","90","","90","","90","","9220.3","0.2","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","Chloro(μ^4^-1,5-cyclooctadiene)[1,3-bis(2,4,6-triisopropylbenzyl)- (5,6-dimethyl)benzimidazol-2-ylidene] iridium(I)","","- C49 H70 Cl Ir N2 -","- C49 H70 Cl Ir N2 -","- C392 H560 Cl8 Ir8 N16 -","8","1","","Süleyman Gülcemal; Aytaç Gürhan Gökçe; Bekir Çetinkaya","N-Benzyl Substituted N-Heterocyclic Carbene Complexes of Iridium(I): Assessment in Transfer Hydrogenation Catalyst","Inorganic Chemistry","2013","52","","10601","10609","10.1021/ic401626e","","","0.71073","MoKα","","0.0573","0.0444","","","0.1071","0.1142","","","","","","1.053","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336075","10.289","0.0005","16.0184","0.0007","17.6378","0.0008","90","","103.315","0.001","90","","2828.8","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 N5 O7 Ru -","- C31 H27 N5 O7 Ru -","- C124 H108 N20 O28 Ru4 -","4","1","","Nattawut Kaveevivitchai; Lars Kohler; Ruifa Zong; Maya El Ojaimi; Nirja Mehta; Randolph P. Thummel","A Ru(II) Bis-terpyridine-like Complex that Catalyzes Water Oxidation: The Influence of Steric Strain","Inorganic Chemistry","2013","52","","10615","10622","10.1021/ic4016383","","","0.71073","MoKα","","0.0307","0.027","","","0.0759","0.0796","","","","","","1.003","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336076","8.8235","0.0002","13.1861","0.0003","18.6756","0.0004","90","","93.768","0.001","90","","2168.16","0.08","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H38 F12 N6 O P2 Ru -","- C46 H38 F12 N6 O P2 Ru -","- C92 H76 F24 N12 O2 P4 Ru2 -","2","1","","Nattawut Kaveevivitchai; Lars Kohler; Ruifa Zong; Maya El Ojaimi; Nirja Mehta; Randolph P. Thummel","A Ru(II) Bis-terpyridine-like Complex that Catalyzes Water Oxidation: The Influence of Steric Strain","Inorganic Chemistry","2013","52","","10615","10622","10.1021/ic4016383","","","1.54178","CuKα","","0.0361","0.0354","","","0.0919","0.0928","","","","","","1.025","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336077","16.4771","0.0014","15.8152","0.0014","18.3267","0.0016","90","","112.779","0.001","90","","4403.2","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 O8 P4 S8 Th -","- C32 H40 O8 P4 S8 Th -","- C128 H160 O32 P16 S32 Th4 -","4","1","","Andrew C. Behrle; Charles L. Barnes; Nikolas Kaltsoyannis; Justin R. Walensky","Systematic Investigation of Thorium(IV)- and Uranium(IV)-Ligand Bonding in Dithiophosphonate, Thioselenophosphinate, and Diselenophosphonate Complexes","Inorganic Chemistry","2013","52","","10623","10631","10.1021/ic401642a","","","0.71073","MoKα","","0.0591","0.0456","","","0.1146","0.1233","","","","","","1.007","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336078","19.1065","0.0004","19.1065","0.0004","10.8977","0.0003","90","","90","","90","","3978.3","0.16","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C28 H32 O4 P4 Se8 Th -","- C28 H32 O4 P4 Se8 Th -","- C112 H128 O16 P16 Se32 Th4 -","4","0.25","","Andrew C. Behrle; Charles L. Barnes; Nikolas Kaltsoyannis; Justin R. Walensky","Systematic Investigation of Thorium(IV)- and Uranium(IV)-Ligand Bonding in Dithiophosphonate, Thioselenophosphinate, and Diselenophosphonate Complexes","Inorganic Chemistry","2013","52","","10623","10631","10.1021/ic401642a","","","1.54178","CuKα","","0.0248","0.0238","","","0.0637","0.0653","","","","","","1.083","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336079","11.0735","0.0012","13.4793","0.0015","18.856","0.002","94.908","0.001","94.725","0.001","97.061","0.001","2770.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H48 O P4 S4 Se4 Th -","- C52 H48 O P4 S4 Se4 Th -","- C104 H96 O2 P8 S8 Se8 Th2 -","2","1","","Andrew C. Behrle; Charles L. Barnes; Nikolas Kaltsoyannis; Justin R. Walensky","Systematic Investigation of Thorium(IV)- and Uranium(IV)-Ligand Bonding in Dithiophosphonate, Thioselenophosphinate, and Diselenophosphonate Complexes","Inorganic Chemistry","2013","52","","10623","10631","10.1021/ic401642a","","","0.71073","MoKα","","0.0358","0.0311","","","0.1071","0.1127","","","","","","0.923","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336080","11.0436","0.0015","13.4223","0.0018","18.694","0.003","94.9","0.001","95.022","0.002","96.663","0.002","2728.9","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H48 O P4 S4 Se4 U -","- C52 H48 O P4 S4 Se4 U -","- C104 H96 O2 P8 S8 Se8 U2 -","2","1","","Andrew C. Behrle; Charles L. Barnes; Nikolas Kaltsoyannis; Justin R. Walensky","Systematic Investigation of Thorium(IV)- and Uranium(IV)-Ligand Bonding in Dithiophosphonate, Thioselenophosphinate, and Diselenophosphonate Complexes","Inorganic Chemistry","2013","52","","10623","10631","10.1021/ic401642a","","","0.71073","MoKα","","0.0548","0.0445","","","0.1248","0.1311","","","","","","1.075","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336081","9.7018","0.0013","11.7027","0.0016","15.355","0.002","101.55","0.002","100.886","0.002","96.742","0.002","1655.4","0.4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H48 B2 Li2 N8 O4 -","- C28 H48 B2 Li2 N8 O4 -","- C56 H96 B4 Li4 N16 O8 -","2","1","","Ahmed Al-Harbi; Yi Rong; Gerard Parkin","Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands","Inorganic Chemistry","2013","52","","10226","10228","10.1021/ic401658n","","","0.71073","MoKα","","0.1044","0.0526","","","0.0806","0.0934","","","","","","1.142","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336082","9.4956","0.0011","12.2278","0.0014","16.2888","0.0018","89.903","0.002","74.243","0.002","85.331","0.002","1813.8","0.4","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H50 B2 Cl2 Li2 N8 O4 -","- C29 H50 B2 Cl2 Li2 N8 O4 -","- C58 H100 B4 Cl4 Li4 N16 O8 -","2","1","","Ahmed Al-Harbi; Yi Rong; Gerard Parkin","Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands","Inorganic Chemistry","2013","52","","10226","10228","10.1021/ic401658n","","","0.71073","MoKα","","0.1094","0.059","","","0.145","0.1694","","","","","","1.056","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336083","23.626","0.003","15.8447","0.0018","17.432","0.002","90","","128.969","0.002","90","","5073.6","1.1","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H76 B2 N8 Na2 O7 -","- C34 H62 B2 N8 Na2 O7 -","- C136 H248 B8 N32 Na8 O28 -","4","1","","Ahmed Al-Harbi; Yi Rong; Gerard Parkin","Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands","Inorganic Chemistry","2013","52","","10226","10228","10.1021/ic401658n","","","0.71073","MoKα","","0.0995","0.0513","","","0.0628","0.0687","","","","","","1.016","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336084","11.2105","0.0011","11.7527","0.0011","19.0172","0.0018","76.215","0.001","79.235","0.001","82.738","0.001","2381.8","0.4","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H60 B2 N8 Na2 O10 -","- C44 H60 B2 N8 Na2 O10 -","- C88 H120 B4 N16 Na4 O20 -","2","1","","Ahmed Al-Harbi; Yi Rong; Gerard Parkin","Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands","Inorganic Chemistry","2013","52","","10226","10228","10.1021/ic401658n","","","0.71073","MoKα","","0.1233","0.0599","","","0.1377","0.1658","","","","","","1.024","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336085","8.9863","0.0011","10.5954","0.0013","12.2767","0.0014","74.05","0.002","72.881","0.002","68.703","0.002","1022.2","0.2","130","2","130","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H36 B2 Cl4 I2 N8 O4 Zn2 -","- C34 H36 B2 Cl4 I2 N8 O4 Zn2 -","- C34 H36 B2 Cl4 I2 N8 O4 Zn2 -","1","0.5","","Ahmed Al-Harbi; Yi Rong; Gerard Parkin","Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands","Inorganic Chemistry","2013","52","","10226","10228","10.1021/ic401658n","","","0.71073","MoKα","","0.0694","0.0408","","","0.0675","0.0748","","","","","","1.071","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336086","16.6643","0.0012","16.3434","0.0011","18.5556","0.0013","90","","96.982","0.001","90","","5016.2","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H51 B2 Ga2 I2 N8 O4 -","- C44 H44 B2 Ga2 I2 N8 O4 -","- C176 H176 B8 Ga8 I8 N32 O16 -","4","1","","Ahmed Al-Harbi; Yi Rong; Gerard Parkin","Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands","Inorganic Chemistry","2013","52","","10226","10228","10.1021/ic401658n","","","0.71073","MoKα","","0.0959","0.0458","","","0.0758","0.0853","","","","","","1.029","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336087","20.5059","0.0018","15.379","0.0014","24.714","0.002","90","","90","","90","","7793.8","1.2","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C16 H16 B Ga I2 N4 O2 -","- C16 H16 B Ga I2 N4 O2 -","- C256 H256 B16 Ga16 I32 N64 O32 -","16","2","","Ahmed Al-Harbi; Yi Rong; Gerard Parkin","Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands","Inorganic Chemistry","2013","52","","10226","10228","10.1021/ic401658n","","","0.71073","MoKα","","0.1268","0.0682","","","0.1618","0.1912","","","","","","1.23","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336088","9.546","0.002","9.704","0.002","27.19","0.006","90","","97.744","0.004","90","","2495.8","0.9","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H38 B N4 Na O5 -","- C20 H38 B N4 Na O5 -","- C80 H152 B4 N16 Na4 O20 -","4","1","","Ahmed Al-Harbi; Yi Rong; Gerard Parkin","Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands","Inorganic Chemistry","2013","52","","10226","10228","10.1021/ic401658n","","","0.71073","MoKα","","0.164","0.0617","","","0.1145","0.145","","","","","","1.003","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336089","8.8727","0.0012","10.0513","0.0014","14.569","0.002","90.266","0.002","101.055","0.002","112.945","0.002","1169.8","0.3","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C21.5 H31 B Cu N4 O2 P -","- C19 H25 B Cu N4 O2 P -","- C38 H50 B2 Cu2 N8 O4 P2 -","2","1","","Ahmed Al-Harbi; Yi Rong; Gerard Parkin","Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands","Inorganic Chemistry","2013","52","","10226","10228","10.1021/ic401658n","","","0.71073","MoKα","","0.1226","0.0576","","","0.0879","0.0981","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336090","8.797","0.003","10.599","0.004","11.305","0.004","68.735","0.005","78.585","0.005","67.408","0.005","904.8","0.6","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H32 B2 I2 N8 O4 Zn2 -","- C32 H32 B2 I2 N8 O4 Zn2 -","- C32 H32 B2 I2 N8 O4 Zn2 -","1","0.5","","Ahmed Al-Harbi; Yi Rong; Gerard Parkin","Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands","Inorganic Chemistry","2013","52","","10226","10228","10.1021/ic401658n","","","0.71073","MoKα","","0.0556","0.0344","","","0.0739","0.0811","","","","","","1.008","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336091","14.007","0.004","14.007","0.004","40.837","0.012","90","","90","","120","","6939","3","293","2","293","2","","","","","","","","6","P 64","P 64","172","(R,R)-bis(mu2-N,N'-bis((8-(2-naphthyl)methoxyquinolin-2-yl)methylene) -1,2-cyclohexanediamine)-di-copper(I) diperchlorate dihydrate tetra-acetonitrile solvate","","","- C104 H94 Cl2 Cu2 N12 O13 -","- C104 H92 Cl2 Cu2 N12 O13 -","- C312 H276 Cl6 Cu6 N36 O39 -","3","0.5","","Massimo Boiocchi; Valentina Brega; Carlo Ciarrocchi; Luigi Fabbrizzi; Piersandro Pallavicini","Dicopper Double-Strand Helicates Held Together by Additional π-π Interactions","Inorganic Chemistry","2013","52","","10643","10652","10.1021/ic401684u","","","0.71073","MoKα","","0.0735","0.0603","","","0.1519","0.1623","","","","","","1.088","","","","has coordinates","213925","2020-10-21","18:00:00",""
"4336092","9.969","0.003","9.969","0.003","16.595","0.006","90","","90","","120","","1428.3","0.8","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C16 H13 I N2 S2 Si -","- C16 H13 I N2 S2 Si -","- C48 H39 I3 N6 S6 Si3 -","3","0.5","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.0396","0.0333","","","0.0847","0.0886","","","","","","1.114","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336093","7.1234","0.0014","8.0698","0.0016","12.208","0.002","82.61","0.03","86.81","0.03","67.85","0.03","644.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 N2 S2 Si -","- C10 H8 Cl2 N2 S2 Si -","- C20 H16 Cl4 N4 S4 Si2 -","2","1","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.0926","0.0423","","","0.0854","0.0977","","","","","","0.838","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336094","8.5374","0.0017","12.881","0.003","15.365","0.003","81.96","0.03","79.14","0.03","86.62","0.03","1642.2","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 Cl N2 S2 Si -","- C16 H13 Cl N2 S2 Si -","- C64 H52 Cl4 N8 S8 Si4 -","4","2","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.0741","0.0429","","","0.1012","0.1126","","","","","","0.892","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336095","7.8579","0.0016","11.655","0.002","17.506","0.004","90","","90","","90","","1603.3","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 F N2 S2 Si -","- C16 H13 F N2 S2 Si -","- C64 H52 F4 N8 S8 Si4 -","4","1","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.0666","0.0431","","","0.1064","0.1168","","","","","","0.973","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336096","9.1575","0.0018","12.208","0.002","15.523","0.003","90","","90","","90","","1735.4","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N5 S2 Si -","- C16 H13 N5 S2 Si -","- C64 H52 N20 S8 Si4 -","4","1","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.038","0.0331","","","0.0809","0.0874","","","","","","1.06","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336097","8.7177","0.0017","12.644","0.003","15.729","0.003","90","","90","","90","","1733.8","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N3 O S2 Si -","- C17 H13 N3 O S2 Si -","- C68 H52 N12 O4 S8 Si4 -","4","1","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.0497","0.0366","","","0.0797","0.0842","","","","","","0.988","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336098","8.6826","0.0017","13.283","0.003","15.773","0.003","90","","90","","90","","1819.1","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N3 S3 Si -","- C17 H13 N3 S3 Si -","- C68 H52 N12 S12 Si4 -","4","1","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.0468","0.0324","","","0.0654","0.0694","","","","","","0.914","","","","has coordinates","179463","2020-10-21","18:00:00",""
"4336099","15.367","0.005","10.519","0.002","8.8426","0.0018","90","","111.94","0.03","90","","1325.8","0.6","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C11 H11 Cl N2 S2 Si -","- C11 H11 Cl N2 S2 Si -","- C44 H44 Cl4 N8 S8 Si4 -","4","1","","Johannes A. Baus; Christian Burschka; Rüdiger Bertermann; Célia Fonseca Guerra; F. Matthias Bickelhaupt; Reinhold Tacke","Neutral Six-Coordinate and Cationic Five-Coordinate Silicon(IV) Complexes with Two Bidentate Monoanionic N,S-Pyridine-2-thiolato(-) Ligands","Inorganic Chemistry","2013","52","","10664","10676","10.1021/ic401698a","","","0.71073","MoKα","","0.0428","0.0348","","","0.0835","0.1086","","","","","","1.139","","","","has coordinates,has disorder","179463","2020-10-21","18:00:00",""
"4336100","9.7147","0.0011","11.6888","0.0011","12.1026","0.0006","112.967","0.007","101.238","0.008","96.815","0.009","1211.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cu2 N6 S4 -","- C22 H16 Cu2 N6 S4 -","- C44 H32 Cu4 N12 S8 -","2","1","","Li Yu; Mian Li; Xiao-Ping Zhou; Dan Li","Hybrid Inorganic-Organic Polyrotaxane, Pseudorotaxane, and Sandwich","Inorganic Chemistry","2013","52","","10232","10234","10.1021/ic401722c","","","0.71073","MoKα","","0.0727","0.0454","","","0.1123","0.1386","","","","","","1.038","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336101","7.5521","0.0002","17.2299","0.0005","17.7458","0.0006","90","","100.133","0.003","90","","2273.1","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cu2 I8 N4 -","- C36 H32 Cu2 I8 N4 -","- C72 H64 Cu4 I16 N8 -","2","0.5","","Li Yu; Mian Li; Xiao-Ping Zhou; Dan Li","Hybrid Inorganic-Organic Polyrotaxane, Pseudorotaxane, and Sandwich","Inorganic Chemistry","2013","52","","10232","10234","10.1021/ic401722c","","","0.71073","MoKα","","0.0785","0.074","","","0.2316","0.2363","","","","","","1.03","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336102","10.4705","0.0011","11.0693","0.0008","12.6399","0.0012","94.062","0.007","106.382","0.008","107.544","0.008","1320.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Ag6 I10 N4 -","- C36 H32 Ag6 I10 N4 -","- C36 H32 Ag6 I10 N4 -","1","0.5","","Li Yu; Mian Li; Xiao-Ping Zhou; Dan Li","Hybrid Inorganic-Organic Polyrotaxane, Pseudorotaxane, and Sandwich","Inorganic Chemistry","2013","52","","10232","10234","10.1021/ic401722c","","","0.71073","MoKα","","0.1394","0.077","","","0.1778","0.2075","","","","","","0.997","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336103","10.7853","0.0003","12.7446","0.0005","18.3024","0.0007","90","","99.328","0.003","90","","2482.48","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Cu2 I6 N4 -","- C48 H40 Cu2 I6 N4 -","- C96 H80 Cu4 I12 N8 -","2","0.5","","Li Yu; Mian Li; Xiao-Ping Zhou; Dan Li","Hybrid Inorganic-Organic Polyrotaxane, Pseudorotaxane, and Sandwich","Inorganic Chemistry","2013","52","","10232","10234","10.1021/ic401722c","","","0.71073","MoKα","","0.1164","0.0596","","","0.1242","0.1512","","","","","","1.016","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336104","10.7926","0.0002","12.9547","0.0003","18.1241","0.0004","90","","99.569","0.002","90","","2498.76","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 Ag2 I6 N4 -","- C48 H40 Ag2 I6 N4 -","- C96 H80 Ag4 I12 N8 -","2","0.5","","Li Yu; Mian Li; Xiao-Ping Zhou; Dan Li","Hybrid Inorganic-Organic Polyrotaxane, Pseudorotaxane, and Sandwich","Inorganic Chemistry","2013","52","","10232","10234","10.1021/ic401722c","","","1.54184","CuKα","","0.079","0.0677","","","0.2116","0.2288","","","","","","1.043","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336105","13.051","0.003","12.607","0.003","15.258","0.003","90","","90","","90","","2510.5","1","123","2","123","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H19 B11 -","- C6 H19 B11 -","- C48 H152 B88 -","8","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)4-1,2-C2B11H11 with Nucleophiles: Linkage Effect on Product Formation","Inorganic Chemistry","2013","52","","10677","10684","10.1021/ic401744h","","","0.71073","MoKα","","0.093","0.0646","","","0.1708","0.1972","","","","","","1.148","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336106","7.381","0.006","13.807","0.012","12.919","0.011","90","","105.673","0.017","90","","1267.6","1.9","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H17 B11 -","- C5 H17 B11 -","- C20 H68 B44 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)4-1,2-C2B11H11 with Nucleophiles: Linkage Effect on Product Formation","Inorganic Chemistry","2013","52","","10677","10684","10.1021/ic401744h","","","0.71073","MoKα","","0.1145","0.0807","","","0.2485","0.2901","","","","","","1.002","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336107","7.4647","0.0012","14.673","0.002","16.269","0.003","90","","94.198","0.003","90","","1777.2","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H30 B11 N -","- C10 H30 B11 N -","- C40 H120 B44 N4 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)4-1,2-C2B11H11 with Nucleophiles: Linkage Effect on Product Formation","Inorganic Chemistry","2013","52","","10677","10684","10.1021/ic401744h","","","0.71073","MoKα","","0.0775","0.0592","","","0.1735","0.1954","","","","","","1.011","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336108","13.3528","0.0012","9.1868","0.0009","37.516","0.004","90","","100.747","0.002","90","","4521.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H55 B11 N2 P2 -","- C44 H55 B11 N2 P2 -","- C176 H220 B44 N8 P8 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)4-1,2-C2B11H11 with Nucleophiles: Linkage Effect on Product Formation","Inorganic Chemistry","2013","52","","10677","10684","10.1021/ic401744h","","","0.71073","MoKα","","0.1029","0.0892","","","0.1931","0.1996","","","","","","1.238","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336109","16.747","0.003","10.655","0.002","26.72","0.005","90","","99.83","0.003","90","","4697.9","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H59 B11 N2 P2 -","- C46 H59 B11 N2 P2 -","- C184 H236 B44 N8 P8 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)4-1,2-C2B11H11 with Nucleophiles: Linkage Effect on Product Formation","Inorganic Chemistry","2013","52","","10677","10684","10.1021/ic401744h","","","0.71073","MoKα","","0.2157","0.0676","","","0.1191","0.1792","","","","","","0.989","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336110","8.3906","0.0015","10.904","0.002","15.541","0.003","99.131","0.003","94.715","0.003","102.261","0.003","1361.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H41 B11 N2 O -","- C21 H41 B11 N2 O -","- C42 H82 B22 N4 O2 -","2","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)4-1,2-C2B11H11 with Nucleophiles: Linkage Effect on Product Formation","Inorganic Chemistry","2013","52","","10677","10684","10.1021/ic401744h","","","0.71073","MoKα","","0.1147","0.0762","","","0.2048","0.2367","","","","","","1.063","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336111","9.4687","0.0007","9.6287","0.0008","17.059","0.0013","102.413","0.002","97.696","0.002","97.792","0.002","1483.4","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H45 B11 N2 O2 -","- C22 H45 B11 N2 O2 -","- C44 H90 B22 N4 O4 -","2","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)4-1,2-C2B11H11 with Nucleophiles: Linkage Effect on Product Formation","Inorganic Chemistry","2013","52","","10677","10684","10.1021/ic401744h","","","0.71073","MoKα","","0.2579","0.1146","","","0.3374","0.4289","","","","","","1.124","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336112","13.5073","0.0005","12.4931","0.0005","15.3521","0.0006","90","","90.352","0.001","90","","2590.59","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 B10 N2 O -","- C20 H40 B10 N2 O -","- C80 H160 B40 N8 O4 -","4","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)4-1,2-C2B11H11 with Nucleophiles: Linkage Effect on Product Formation","Inorganic Chemistry","2013","52","","10677","10684","10.1021/ic401744h","","","0.71073","MoKα","","0.0753","0.0562","","","0.1608","0.183","","","","","","1.041","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336113","11.125","0.008","14.248","0.011","17.751","0.014","98.412","0.017","104.365","0.014","98.182","0.015","2649","4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H64 B11 N O P2 S -","- C53 H64 B11 N O P2 S -","- C106 H128 B22 N2 O2 P4 S2 -","2","1","","Jian Zhang; Zuowei Xie","Reaction of 13-Vertex Carborane μ-1,2-(CH2)4-1,2-C2B11H11 with Nucleophiles: Linkage Effect on Product Formation","Inorganic Chemistry","2013","52","","10677","10684","10.1021/ic401744h","","","0.71073","MoKα","","0.0718","0.0528","","","0.1466","0.1699","","","","","","1.022","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336114","4.079","0.0002","4.079","0.0002","13.814","0.0005","90","","90","","90","","229.841","0.018","300","","300","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Bi2 F2 S4 Sr2 -","- Bi F S2 Sr -","- Bi2 F2 S4 Sr2 -","2","0.125","","Hechang Lei; Kefeng Wang; Milinda Abeykoon; Emil S. Bozin; Cedomir Petrovic","New Layered Fluorosulfide SrFBiS2","Inorganic Chemistry","2013","52","","10685","10689","10.1021/ic4018135","powder diffraction","","0.1839","x-rays,synchrotron","","","","","0.138","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336115","5.7671","0.0004","16.7609","0.0012","10.426","0.0008","90","","103.302","0.004","90","","980.76","0.12","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H20 B3 N3 -","- C3 H20 B3 N3 -","- C12 H80 B12 N12 -","4","1","","William C. Ewing; Patrick J. Carroll; Larry G. Sneddon","Syntheses and Characterizations of Linear Triborazanes","Inorganic Chemistry","2013","52","","10690","10697","10.1021/ic401844m","","","0.71073","MoKα","","0.0375","0.034","","","0.0911","0.0945","","","","","","1.056","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336116","34.3349","0.0006","34.3349","0.0006","37.949","0.0007","90","","90","","120","","38743.8","1.2","160","2","160","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C230 H211.5 Cu15 Gd7 N16.5 O83.5 -","- C229.93 H171 Cu15 Gd7 N16.5 O83.49 -","- C1379.58 H1026 Cu90 Gd42 N99 O500.94 -","6","0.333333","","Despina Dermitzaki; Giulia Lorusso; Catherine P. Raptopoulou; Vassilis Psycharis; Albert Escuer; Marco Evangelisti; Spyros P. Perlepes; Theocharis C. Stamatatos","Molecular Nanoscale Magnetic Refrigerants: A Ferrimagnetic {CuII15GdIII7} Cagelike Cluster from the Use of Pyridine-2,6-dimethanol","Inorganic Chemistry","2013","52","","10235","10237","10.1021/ic4020064","","","1.54718","","","0.0567","0.0506","","","0.1236","0.1287","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336117","12.9509","0.0011","12.9702","0.0012","20.43","0.0018","79.951","0.001","80.753","0.001","83.559","0.002","3322.7","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H126 Cl8 Eu4 Mn8 N8 O63 -","- C86 H126 Cl8 Eu4 Mn8 N8 O63 -","- C86 H126 Cl8 Eu4 Mn8 N8 O63 -","1","0.5","","Fan Cao; Suna Wang; Dacheng Li; Suyuan Zeng; Meiju Niu; You Song; Jianmin Dou","Family of Mixed 3d-4f Dimeric 14-Metallacrown-5 Compounds: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2013","52","","10747","10755","10.1021/ic3025952","","","0.71073","MoKα","","0.0899","0.0475","","","0.108","0.1402","","","","","","1.063","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336118","12.9985","0.0011","13.0134","0.0012","20.455","0.002","80.806","0.001","79.867","0.001","83.792","0.002","3350.9","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H128 Cl8 Gd4 Mn8 N8 O64 -","- C86 H128 Cl8 Gd4 Mn8 N8 O64 -","- C86 H128 Cl8 Gd4 Mn8 N8 O64 -","1","0.5","","Fan Cao; Suna Wang; Dacheng Li; Suyuan Zeng; Meiju Niu; You Song; Jianmin Dou","Family of Mixed 3d-4f Dimeric 14-Metallacrown-5 Compounds: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2013","52","","10747","10755","10.1021/ic3025952","","","0.71073","MoKα","","0.1032","0.053","","","0.1251","0.1612","","","","","","1.047","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336119","12.9208","0.0007","12.9568","0.0008","20.2851","0.0011","79.468","0.005","80.702","0.005","83.583","0.005","3283","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H126 Cl8 Mn8 N8 O63 Tb4 -","- C86 H126 Cl8 Mn8 N8 O63 Tb4 -","- C86 H126 Cl8 Mn8 N8 O63 Tb4 -","1","0.5","","Fan Cao; Suna Wang; Dacheng Li; Suyuan Zeng; Meiju Niu; You Song; Jianmin Dou","Family of Mixed 3d-4f Dimeric 14-Metallacrown-5 Compounds: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2013","52","","10747","10755","10.1021/ic3025952","","","0.71073","MoKα","","0.0743","0.0525","","","0.1252","0.1428","","","","","","1.052","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336120","12.955","0.0011","12.9788","0.0012","20.3847","0.0016","80.478","0.001","80.088","0.001","83.603","0.002","3317.7","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H62 Cl4 Dy2 Mn4 N4 O31 -","- C43 H62 Cl4 Dy2 Mn4 N4 O31 -","- C86 H124 Cl8 Dy4 Mn8 N8 O62 -","2","1","","Fan Cao; Suna Wang; Dacheng Li; Suyuan Zeng; Meiju Niu; You Song; Jianmin Dou","Family of Mixed 3d-4f Dimeric 14-Metallacrown-5 Compounds: Syntheses, Structures, and Magnetic Properties","Inorganic Chemistry","2013","52","","10747","10755","10.1021/ic3025952","","","0.71073","MoKα","","0.0893","0.0546","","","0.1595","0.1777","","","","","","1.144","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4336121","15.9489","0.0006","14.173","0.0005","25.0561","0.0008","90","","112.109","0.002","90","","5247.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H58 F6 Ir N8 P -","- C44 H58 F6 Ir N8 P -","- C176 H232 F24 Ir4 N32 P4 -","4","1","","Noviyan Darmawan; Cheng-Han Yang; Matteo Mauro; Matthieu Raynal; Susanne Heun; Junyou Pan; Herwig Buchholz; Pierre Braunstein; Luisa De Cola","Efficient Near-UV Emitters Based on Cationic Bis-Pincer Iridium(III) Carbene Complexes","Inorganic Chemistry","2013","52","","10756","10765","10.1021/ic302695q","","","0.71073","MoKα","","0.0613","0.0381","","","0.0874","0.0941","","","","","","1.027","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336122","16.082","0.005","17.074","0.005","27.878","0.005","92.586","0.005","105.969","0.005","117","0.005","6427","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C168 H88 Co4 N24 O99 Zn12 -","- C168 H88 Co4 N24 O99 Zn12 -","- C168 H88 Co4 N24 O99 Zn12 -","1","0.5","","Girijesh Kumar; Rajeev Gupta","Three-Dimensional {Co3±Zn2+} and {Co3±Cd2+} Networks Originated from Carboxylate-rich Building Blocks: Syntheses, Structures, and Heterogeneous Catalysis","Inorganic Chemistry","2013","52","","10773","10787","10.1021/ic400536e","","","0.71073","MoKα","","0.1354","0.0903","","","0.2194","0.246","","","","","","0.938","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336123","11.361","0.005","15.862","0.005","16.279","0.005","73.758","0.005","89.749","0.005","79.948","0.005","2770.2","1.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 Co N6 O30 Zn3 -","- C42 H28 Co N6 O30 Zn3 -","- C84 H56 Co2 N12 O60 Zn6 -","2","1","","Girijesh Kumar; Rajeev Gupta","Three-Dimensional {Co3±Zn2+} and {Co3±Cd2+} Networks Originated from Carboxylate-rich Building Blocks: Syntheses, Structures, and Heterogeneous Catalysis","Inorganic Chemistry","2013","52","","10773","10787","10.1021/ic400536e","","","0.71073","MoKα","","0.0772","0.053","","","0.154","0.1715","","","","","","1.056","","","","has coordinates,has disorder","179464","2020-10-21","18:00:00",""
"4336124","21.5744","0.0007","10.3781","0.0003","23.7191","0.0009","90","","116.231","0.004","90","","4763.8","0.3","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu2(pz333)2CO3","","","- C29 H72 Cl2 Cu3 N12 O20 -","- C29 H72 Cl2 Cu3 N12 O20 -","- C116 H288 Cl8 Cu12 N48 O80 -","4","1","","Raquel Belda; Javier Pitarch-Jarque; Conxa Soriano; José M. Llinares; Salvador Blasco; Jesús Ferrando-Soria; Enrique García-España","Intermolecular Binding Modes in a Novel [1 + 1] Condensation 1H-Pyrazole Azamacrocycle: A Solution and Solid State Study with Evidence for CO2 Fixation","Inorganic Chemistry","2013","52","","10795","10803","10.1021/ic400645t","","","0.7107","MoKα","","0.0837","0.0649","","","0.1764","0.1877","","","","","","1.141","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336125","13.459","0.0002","17.867","0.0004","18.592","0.0004","90","","91.995","0.001","90","","4468.14","0.15","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound 1","","","- C112 H250 Cl12 Cu8 N48 O63 -","- C112 H250 Cl12 Cu8 N48 O63 -","- C112 H250 Cl12 Cu8 N48 O63 -","1","0.25","","Raquel Belda; Javier Pitarch-Jarque; Conxa Soriano; José M. Llinares; Salvador Blasco; Jesús Ferrando-Soria; Enrique García-España","Intermolecular Binding Modes in a Novel [1 + 1] Condensation 1H-Pyrazole Azamacrocycle: A Solution and Solid State Study with Evidence for CO2 Fixation","Inorganic Chemistry","2013","52","","10795","10803","10.1021/ic400645t","","","0.71073","MoKα","","0.1113","0.0591","","","0.1445","0.177","","","","","","1.052","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336126","19.032","0.0005","8.471","0.0002","14.147","0.0008","90","","90","","90","","2280.78","0.15","298","2","298","2","","","","","","","","6","P n a 21","P 2c -2n","33","[Cu(py333)](ClO4)2","","","- C16 H29 Cl2 Cu N5 O8 -","- C16 H29 Cl2 Cu N5 O8 -","- C64 H116 Cl8 Cu4 N20 O32 -","4","1","","Raquel Belda; Javier Pitarch-Jarque; Conxa Soriano; José M. Llinares; Salvador Blasco; Jesús Ferrando-Soria; Enrique García-España","Intermolecular Binding Modes in a Novel [1 + 1] Condensation 1H-Pyrazole Azamacrocycle: A Solution and Solid State Study with Evidence for CO2 Fixation","Inorganic Chemistry","2013","52","","10795","10803","10.1021/ic400645t","","","0.71073","MoKα","","0.1099","0.0729","","","0.1766","0.2128","","","","","","1.04","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336127","12.2278","0.0006","17.389","0.001","19.1401","0.0008","90","","104.329","0.002","90","","3943.1","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H117.4 Br2 Cl3 Cu4 N24 O16.2 -","- C56 H117.4 Br2 Cl3 Cu4 N24 O16.2 -","- C112 H234.8 Br4 Cl6 Cu8 N48 O32.4 -","2","0.5","","Raquel Belda; Javier Pitarch-Jarque; Conxa Soriano; José M. Llinares; Salvador Blasco; Jesús Ferrando-Soria; Enrique García-España","Intermolecular Binding Modes in a Novel [1 + 1] Condensation 1H-Pyrazole Azamacrocycle: A Solution and Solid State Study with Evidence for CO2 Fixation","Inorganic Chemistry","2013","52","","10795","10803","10.1021/ic400645t","","x-ray","0.71073","MoKα","","0.2305","0.0861","","","0.1857","0.2479","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336128","21.5744","0.0007","10.3781","0.0003","23.9936","0.0015","90","","117.532","0.003","90","","4763.8","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cu2(pz333)2CO3","","","- C29 H72 Cl2 Cu3 N12 O20 -","- C29 H72 Cl2 Cu3 N12 O20 -","- C116 H288 Cl8 Cu12 N48 O80 -","4","1","","Raquel Belda; Javier Pitarch-Jarque; Conxa Soriano; José M. Llinares; Salvador Blasco; Jesús Ferrando-Soria; Enrique García-España","Intermolecular Binding Modes in a Novel [1 + 1] Condensation 1H-Pyrazole Azamacrocycle: A Solution and Solid State Study with Evidence for CO2 Fixation","Inorganic Chemistry","2013","52","","10795","10803","10.1021/ic400645t","","","0.7107","MoKα","","0.0835","0.0646","","","0.175","0.1864","","","","","","1.138","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336129","8.8481","0.0001","9.8772","0.0002","17.3948","0.0003","83.601","0.001","78.372","0.001","80.951","0.001","1465.47","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H92 Cl4 N6 O16 Ti4 -","- C44 H92 Cl4 N6 O16 Ti4 -","- C44 H92 Cl4 N6 O16 Ti4 -","1","0.5","","Christopher J. Chuck; Matthew G. Davidson; Gerrit Gobius du Sart; Petya K. Ivanova-Mitseva; Gabriele I. Kociok-Köhn; Lois B. Manton","Synthesis and Structural Characterization of Group 4 Metal Alkoxide Complexes of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine and Their Use As Initiators in the Ring-Opening Polymerization (ROP) of rac-Lactide under Industrially Relevant Conditions","Inorganic Chemistry","2013","52","","10804","10811","10.1021/ic400667z","","","0.71073","MoKα","","0.0531","0.0409","","","0.0879","0.0926","","","","","","1.103","","","","has coordinates,has disorder","179464","2020-10-21","18:00:00",""
"4336130","9.7827","0.0003","10.9231","0.0003","15.2538","0.0005","87.91","0.002","75.866","0.002","79.555","0.002","1554.39","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H104 N2 O16 Ti4 -","- C46 H104 N2 O16 Ti4 -","- C46 H104 N2 O16 Ti4 -","1","0.5","","Christopher J. Chuck; Matthew G. Davidson; Gerrit Gobius du Sart; Petya K. Ivanova-Mitseva; Gabriele I. Kociok-Köhn; Lois B. Manton","Synthesis and Structural Characterization of Group 4 Metal Alkoxide Complexes of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine and Their Use As Initiators in the Ring-Opening Polymerization (ROP) of rac-Lactide under Industrially Relevant Conditions","Inorganic Chemistry","2013","52","","10804","10811","10.1021/ic400667z","","","0.71073","MoKα","","0.0656","0.0446","","","0.1044","0.1161","","","","","","1.045","","","","has coordinates,has disorder","179464","2020-10-21","18:00:00",""
"4336131","23.6691","0.0006","10.3738","0.0002","19.0472","0.0005","90","","97.243","0.001","90","","4639.5","0.19","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H76 Hf3 N2 O12 -","- C34 H76 Hf3 N2 O12 -","- C136 H304 Hf12 N8 O48 -","4","0.5","","Christopher J. Chuck; Matthew G. Davidson; Gerrit Gobius du Sart; Petya K. Ivanova-Mitseva; Gabriele I. Kociok-Köhn; Lois B. Manton","Synthesis and Structural Characterization of Group 4 Metal Alkoxide Complexes of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine and Their Use As Initiators in the Ring-Opening Polymerization (ROP) of rac-Lactide under Industrially Relevant Conditions","Inorganic Chemistry","2013","52","","10804","10811","10.1021/ic400667z","","","0.71073","MoKα","","0.0539","0.0413","","","0.1026","0.1099","","","","","","1.034","","","","has coordinates,has disorder","179464","2020-10-21","18:00:00",""
"4336132","6.7274","0.0009","9.0901","0.001","9.8652","0.0012","111.785","0.002","102.01","0.003","95.572","0.003","537.75","0.11","200","","200","","","","","","","","","5","P -1","-P 1","2","","[Mg(O2C-2-CH3CONHC6H4)2(H2O)4]","","- C18 H24 Mg N2 O10 -","- C18 H24 Mg N2 O10 -","- C18 H24 Mg N2 O10 -","1","0.5","","Taka-aki Okamura; Junko Nakagawa","Contribution of Intramolecular NH...O Hydrogen Bonds to Magnesium-Carboxylate Bonds","Inorganic Chemistry","2013","52","","10812","10824","10.1021/ic400671v","","","0.71075","MoKα","","0.0707","0.0543","","","0.1374","0.1618","","","","","","1.131","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336133","22.358","0.0018","9.5203","0.0007","13.7235","0.0011","90","","106.996","0.002","90","","2793.5","0.4","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Mg(O2C-2-CF3CONHC6H4)2(CH3OH)4]","","- C22 H26 F6 Mg N2 O10 -","- C22 H26 F6 Mg N2 O10 -","- C88 H104 F24 Mg4 N8 O40 -","4","0.5","","Taka-aki Okamura; Junko Nakagawa","Contribution of Intramolecular NH...O Hydrogen Bonds to Magnesium-Carboxylate Bonds","Inorganic Chemistry","2013","52","","10812","10824","10.1021/ic400671v","","","0.71075","MoKα","","0.0732","0.0459","","","0.1023","0.1382","","","","","","1.14","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336134","14.2851","0.0014","5.2966","0.0005","23.179","0.002","90","","100.963","0.007","90","","1721.8","0.3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Mg(dmf)2(H2O)4][O2C-2,6-(CH3CONH)2C6H3]2","","- C28 H44 Mg N6 O14 -","- C28 H44 Mg N6 O14 -","- C56 H88 Mg2 N12 O28 -","2","0.5","","Taka-aki Okamura; Junko Nakagawa","Contribution of Intramolecular NH...O Hydrogen Bonds to Magnesium-Carboxylate Bonds","Inorganic Chemistry","2013","52","","10812","10824","10.1021/ic400671v","","","0.71075","MoKα","","0.1236","0.0788","","","0.1902","0.2177","","","","","","1.022","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336135","7.5807","0.0017","8.289","0.003","11.245","0.004","70.874","0.016","75.991","0.015","79.864","0.015","644.1","0.4","200","","200","","","","","","","","","5","P -1","-P 1","2","","[Mg{2,6-(CH3CONH)2C6H3COO}2(H2O)4]","","- C22 H30 Mg N4 O12 -","- C22 H30 Mg N4 O12 -","- C22 H30 Mg N4 O12 -","1","0.5","","Taka-aki Okamura; Junko Nakagawa","Contribution of Intramolecular NH...O Hydrogen Bonds to Magnesium-Carboxylate Bonds","Inorganic Chemistry","2013","52","","10812","10824","10.1021/ic400671v","","","0.71075","MoKα","","0.0427","0.0385","","","0.0994","0.1018","","","","","","1.048","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336136","9.781","0.006","10.393","0.007","10.999","0.009","102.82","0.03","107.57","0.02","112.72","0.02","907.5","1.2","200","","200","","","","","","","","","6","P -1","-P 1","2","","[Mg(CH3H)6][O2C-2,6-(CF3CONH)2C6H3]2","","- C28 H34 F12 Mg N4 O14 -","- C28 H34 F12 Mg N4 O14 -","- C28 H34 F12 Mg N4 O14 -","1","0.5","","Taka-aki Okamura; Junko Nakagawa","Contribution of Intramolecular NH...O Hydrogen Bonds to Magnesium-Carboxylate Bonds","Inorganic Chemistry","2013","52","","10812","10824","10.1021/ic400671v","","","0.71075","MoKα","","0.095","0.0545","","","0.1215","0.143","","","","","","1.066","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336137","12.241","0.003","15.512","0.004","27.609","0.007","90","","126.454","0.012","90","","4217","2","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Mg(H2O)6][O2C-2,6-(t-BuCONH)2C6H3]2-H2O","","- C34 H60 Mg N4 O15 -","- C34 H60 Mg N4 O15 -","- C136 H240 Mg4 N16 O60 -","4","1","","Taka-aki Okamura; Junko Nakagawa","Contribution of Intramolecular NH...O Hydrogen Bonds to Magnesium-Carboxylate Bonds","Inorganic Chemistry","2013","52","","10812","10824","10.1021/ic400671v","","","0.71075","MoKα","","0.0652","0.0465","","","0.1097","0.1201","","","","","","1.038","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336138","10.0683","0.0008","17.6247","0.0011","23.0699","0.0016","90","","90","","90","","4093.8","0.5","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","[Mg{OCO-2,6-(n-BuCONH)2C6H3}2(H2O)2(CH3OH)2]","","- C36 H58 Mg N4 O12 -","- C36 H58 Mg N4 O12 -","- C144 H232 Mg4 N16 O48 -","4","0.5","","Taka-aki Okamura; Junko Nakagawa","Contribution of Intramolecular NH...O Hydrogen Bonds to Magnesium-Carboxylate Bonds","Inorganic Chemistry","2013","52","","10812","10824","10.1021/ic400671v","","","0.71075","MoKα","","0.1145","0.0679","","","0.1666","0.1989","","","","","","1.077","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336139","6.954","0.002","14.566","0.007","22.183","0.008","100.399","0.015","94.054","0.011","101.219","0.014","2154.7","1.4","200","","200","","","","","","","","","5","P 1","P 1","1","","[Mg(O2C-2-CH3CONHC6H4)(H2O)5][O2C-2-CH3CONHC6H4]","","- C18 H26 Mg N2 O11 -","- C18 H26 Mg N2 O11 -","- C72 H104 Mg4 N8 O44 -","4","4","","Taka-aki Okamura; Junko Nakagawa","Contribution of Intramolecular NH...O Hydrogen Bonds to Magnesium-Carboxylate Bonds","Inorganic Chemistry","2013","52","","10812","10824","10.1021/ic400671v","","","0.71075","MoKα","","0.148","0.0599","","","0.1266","0.164","","","","","","1","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336140","6.971","0.003","20.369","0.008","9.449","0.003","90","","114.163","0.015","90","","1224.1","0.8","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-(CH3CONH)2C6H3COOH-H2O","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C44 H56 N8 O20 -","4","1","","Taka-aki Okamura; Junko Nakagawa","Contribution of Intramolecular NH...O Hydrogen Bonds to Magnesium-Carboxylate Bonds","Inorganic Chemistry","2013","52","","10812","10824","10.1021/ic400671v","","","0.71075","MoKα","","0.1025","0.0516","","","0.1173","0.1342","","","","","","1.004","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336141","14.2809","0.0003","8.1483","0.0002","31.1999","0.0007","90","","90","","90","","3630.58","0.14","100","1","100","1","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C80 H58 B4 Cl4 F4 N8 O5 Zn2 -","- C80 H58 B4 Cl4 F4 N8 O5 Zn2 -","- C160 H116 B8 Cl8 F8 N16 O10 Zn4 -","2","0.25","","Grzegorz Wesela-Bauman; Paulina Ciećwierz; Krzysztof Durka; Sergiusz Luliński; Janusz Serwatowski; Krzysztof Woźniak","Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices","Inorganic Chemistry","2013","52","","10846","10859","10.1021/ic400729t","","x-ray","0.71073","MoKα","","0.0788","0.0473","","","0.0919","0.1021","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336142","9.5534","0.0005","11.982","0.0006","24.2893","0.001","91.785","0.004","97.598","0.004","104.196","0.005","2665.9","0.2","100","2","100","1","","","","","","","","9","P -1","-P 1","2","","","","- C79 H48 B4 Cl17 D3 F8 N12 O4 Zn4 -","- C79 H51 B4 Cl17 F8 N12 O4 Zn4 -","- C79 H51 B4 Cl17 F8 N12 O4 Zn4 -","1","0.5","","Grzegorz Wesela-Bauman; Paulina Ciećwierz; Krzysztof Durka; Sergiusz Luliński; Janusz Serwatowski; Krzysztof Woźniak","Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices","Inorganic Chemistry","2013","52","","10846","10859","10.1021/ic400729t","","x-ray","0.71073","MoKα","","0.2932","0.1149","","","0.2657","0.351","","","","","","1.045","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336143","6.991","0.0006","12.7231","0.0012","17.5105","0.0015","90","","91.999","0.008","90","","1556.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 B F2 N3 O -","- C19 H12 B F2 N3 O -","- C76 H48 B4 F8 N12 O4 -","4","1","","Grzegorz Wesela-Bauman; Paulina Ciećwierz; Krzysztof Durka; Sergiusz Luliński; Janusz Serwatowski; Krzysztof Woźniak","Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices","Inorganic Chemistry","2013","52","","10846","10859","10.1021/ic400729t","","","0.71073","MoKα","","0.1188","0.0343","","","0.0494","0.0584","","","","","","0.705","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336144","9.5208","0.0003","14.3566","0.0004","12.1658","0.0004","90","","109.901","0.004","90","","1563.59","0.09","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 B F N2 O S -","- C18 H12 B F N2 O S -","- C72 H48 B4 F4 N8 O4 S4 -","4","1","","Grzegorz Wesela-Bauman; Paulina Ciećwierz; Krzysztof Durka; Sergiusz Luliński; Janusz Serwatowski; Krzysztof Woźniak","Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices","Inorganic Chemistry","2013","52","","10846","10859","10.1021/ic400729t","","","0.71073","MoKα","","0.0924","0.0774","","","0.1905","0.1997","","","","","","1.102","","","","has coordinates,has disorder","179464","2020-10-21","18:00:00",""
"4336145","6.8035","0.0002","14.6623","0.0003","17.1152","0.0004","90","","90.967","0.002","90","","1707.08","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 B F I N2 O -","- C20 H13 B F I N2 O -","- C80 H52 B4 F4 I4 N8 O4 -","4","1","","Grzegorz Wesela-Bauman; Paulina Ciećwierz; Krzysztof Durka; Sergiusz Luliński; Janusz Serwatowski; Krzysztof Woźniak","Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices","Inorganic Chemistry","2013","52","","10846","10859","10.1021/ic400729t","","","0.71073","MoKα","","0.021","0.0168","","","0.0419","0.043","","","","","","1.053","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336146","6.0002","0.0007","22.295","0.003","12.1967","0.0013","90","","90","","90","","1631.6","0.3","100","","100","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C20 H13 B Cl F N2 O -","- C20 H13 B Cl F N2 O -","- C80 H52 B4 Cl4 F4 N8 O4 -","4","1","","Grzegorz Wesela-Bauman; Paulina Ciećwierz; Krzysztof Durka; Sergiusz Luliński; Janusz Serwatowski; Krzysztof Woźniak","Heteroleptic (2-Fluoro-3-pyridyl)arylborinic 8-Oxyquinolinates for the Potential Application in Organic Light-Emitting Devices","Inorganic Chemistry","2013","52","","10846","10859","10.1021/ic400729t","","","0.71073","MoKα","","0.0877","0.0402","","0.1021","0.0673","0.1021","","","","","","0.9998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336147","15.4084","0.0017","11.2176","0.0013","17.3415","0.0018","90","","90","","90","","2997.4","0.6","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H48 As2 Co2 N12 S5 -","- C12 H48 As2 Co2 N12 S5 -","- C48 H192 As8 Co8 N48 S20 -","4","0.5","","Chunying Tang; Fang Wang; Wenqing Jiang; Yong Zhang; Dingxian Jia","Clusters [Co(As3S3)2]2-, [Ni(As3S3)2]2-, and [{Co(en)}6(μ3-S)4(AsS3)4]2- with Co-As or Ni-As Bonds: Solvothermal Syntheses and Characterizations of Thioarsenates Containing Transition-Metal Complexes","Inorganic Chemistry","2013","52","","10860","10868","10.1021/ic4007982","","","0.71073","MoKα","","0.0426","0.0382","","","0.0848","0.0869","","","","","","1.114","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336148","11.082","0.002","14.679","0.003","16.523","0.003","90","","90","","90","","2687.8","0.9","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As6 Co2 N6 S6 -","- C8 H26 As6 Co2 N6 S6 -","- C32 H104 As24 Co8 N24 S24 -","4","1","","Chunying Tang; Fang Wang; Wenqing Jiang; Yong Zhang; Dingxian Jia","Clusters [Co(As3S3)2]2-, [Ni(As3S3)2]2-, and [{Co(en)}6(μ3-S)4(AsS3)4]2- with Co-As or Ni-As Bonds: Solvothermal Syntheses and Characterizations of Thioarsenates Containing Transition-Metal Complexes","Inorganic Chemistry","2013","52","","10860","10868","10.1021/ic4007982","","","0.71073","MoKα","","0.0396","0.0341","","","0.0727","0.0751","","","","","","0.913","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336149","11.0037","0.0011","14.7916","0.0019","16.6696","0.0017","90","","90","","90","","2713.2","0.5","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H26 As6 N6 Ni2 S6 -","- C8 H26 As6 N6 Ni2 S6 -","- C32 H104 As24 N24 Ni8 S24 -","4","1","","Chunying Tang; Fang Wang; Wenqing Jiang; Yong Zhang; Dingxian Jia","Clusters [Co(As3S3)2]2-, [Ni(As3S3)2]2-, and [{Co(en)}6(μ3-S)4(AsS3)4]2- with Co-As or Ni-As Bonds: Solvothermal Syntheses and Characterizations of Thioarsenates Containing Transition-Metal Complexes","Inorganic Chemistry","2013","52","","10860","10868","10.1021/ic4007982","","","0.71073","MoKα","","0.0456","0.0417","","","0.0866","0.0893","","","","","","1.044","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336150","13.065","0.002","13.065","0.002","32.007","0.005","90","","90","","90","","5463.4","1.5","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H66 As4 Co6 N16 S16 -","- C16 H16 As4 Co6 N16 S16 -","- C64 H64 As16 Co24 N64 S64 -","4","0.25","","Chunying Tang; Fang Wang; Wenqing Jiang; Yong Zhang; Dingxian Jia","Clusters [Co(As3S3)2]2-, [Ni(As3S3)2]2-, and [{Co(en)}6(μ3-S)4(AsS3)4]2- with Co-As or Ni-As Bonds: Solvothermal Syntheses and Characterizations of Thioarsenates Containing Transition-Metal Complexes","Inorganic Chemistry","2013","52","","10860","10868","10.1021/ic4007982","","","0.71073","MoKα","","0.0585","0.0451","","","0.1322","0.1406","","","","","","1.117","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336151","19.014","0.004","8.6662","0.0017","18.243","0.004","90","","94.92","0.03","90","","2995","1.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H78 As6 Co3 N18 S12 -","- C24 H78 As6 Co3 N18 S12 -","- C48 H156 As12 Co6 N36 S24 -","2","0.5","","Chunying Tang; Fang Wang; Wenqing Jiang; Yong Zhang; Dingxian Jia","Clusters [Co(As3S3)2]2-, [Ni(As3S3)2]2-, and [{Co(en)}6(μ3-S)4(AsS3)4]2- with Co-As or Ni-As Bonds: Solvothermal Syntheses and Characterizations of Thioarsenates Containing Transition-Metal Complexes","Inorganic Chemistry","2013","52","","10860","10868","10.1021/ic4007982","","","0.71073","MoKα","","0.0664","0.0516","","","0.1034","0.1097","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336152","9.8228","0.0002","10.264","0.0002","11.3496","0.0002","89.626","0.001","82.154","0.001","76.953","0.001","1103.96","0.04","293","2","293","2","","","","","","","Synthesised","6","P -1","-P 1","2","","","","- C17 H24 Cl Cu N4 O9 -","- C16.99 H22.57 Cl Cu N4 O8.94 -","- C33.98 H45.14 Cl2 Cu2 N8 O17.88 -","2","1","","Apurba Kalita; Ramesh C. Deka; Biplab Mondal","Reaction of a Copper(II)-Nitrosyl Complex with Hydrogen Peroxide: Phenol Ring Nitration through a Putative Peroxynitrite Intermediate","Inorganic Chemistry","2013","52","","10897","10903","10.1021/ic400890f","","x-ray","0.71073","MoKα","","0.0527","0.048","","","0.1289","0.133","","","","","","0.927","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336153","11.3192","0.0008","12.4363","0.0009","13.4483","0.001","83.4965","0.0008","68.0361","0.0008","64.4777","0.0008","1581.8","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H23 B F8 N4 O2.5 Pd -","- C35 H23 B F8 N4 O2.5 Pd -","- C70 H46 B2 F16 N8 O5 Pd2 -","2","1","","Graeme Nawn; Robert McDonald; Robin G. Hicks","Synthesis and Characterization of Heterobimetallic (Pd/B) Nindigo Complexes and Comparisons to Their Homobimetallic (Pd2, B2) Analogues","Inorganic Chemistry","2013","52","","10912","10919","10.1021/ic400911k","","","0.71073","MoKα","","0.0416","0.0356","","","0.0975","0.1012","","","","","","1.049","","","","has coordinates,has disorder","179464","2020-10-21","18:00:00",""
"4336154","15.1584","0.0006","11.8641","0.0004","19.9033","0.0007","90","","105.051","0.0004","90","","3456.6","0.2","173","2","173","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C38 H28.5 B F8 N4.5 O2 Pd -","- C38 H28.5 B F8 N4.5 O2 Pd -","- C152 H114 B4 F32 N18 O8 Pd4 -","4","2","","Graeme Nawn; Robert McDonald; Robin G. Hicks","Synthesis and Characterization of Heterobimetallic (Pd/B) Nindigo Complexes and Comparisons to Their Homobimetallic (Pd2, B2) Analogues","Inorganic Chemistry","2013","52","","10912","10919","10.1021/ic400911k","","","0.71073","MoKα","","0.032","0.0281","","","0.0681","0.0704","","","","","","1.016","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336155","9.4672","0.0003","14.2029","0.0005","17.336","0.0006","78.0317","0.0004","88.9814","0.0004","76.9012","0.0004","2219.98","0.13","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H45 B Cl2 F8 N4 O2 Pd -","- C46 H45 B Cl2 F8 N4 O2 Pd -","- C92 H90 B2 Cl4 F16 N8 O4 Pd2 -","2","1","","Graeme Nawn; Robert McDonald; Robin G. Hicks","Synthesis and Characterization of Heterobimetallic (Pd/B) Nindigo Complexes and Comparisons to Their Homobimetallic (Pd2, B2) Analogues","Inorganic Chemistry","2013","52","","10912","10919","10.1021/ic400911k","","","0.71073","MoKα","","0.049","0.0433","","","0.1226","0.1293","","","","","","1.055","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336156","11.3376","0.0005","32.5833","0.0012","8.8492","0.0004","90","","101.996","0.003","90","","3197.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 N3 Ni O5 -","- C35 H27 N3 Ni O5 -","- C140 H108 N12 Ni4 O20 -","4","1","","Ying-Ji Sun; Qian-Qian Huang; Tetsuro Tano; Shinobu Itoh","Flavonolate Complexes of MII (M = Mn, Fe, Co, Ni, Cu, and Zn). Structural and Functional Models for the ES (Enzyme-Substrate) Complex of Quercetin 2,3-Dioxygenase","Inorganic Chemistry","2013","52","","10936","10948","10.1021/ic400972k","","","0.71073","MoKα","","0.0673","0.0435","","","0.0996","0.1078","","","","","","1.033","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336157","9.56","0.004","20.519","0.007","30.232","0.009","90","","90","","90","","5930","4","153","","153","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H29 Fe N3 O6 -","- C35 H27 Fe N3 O6 -","- C280 H216 Fe8 N24 O48 -","8","1","","Ying-Ji Sun; Qian-Qian Huang; Tetsuro Tano; Shinobu Itoh","Flavonolate Complexes of MII (M = Mn, Fe, Co, Ni, Cu, and Zn). Structural and Functional Models for the ES (Enzyme-Substrate) Complex of Quercetin 2,3-Dioxygenase","Inorganic Chemistry","2013","52","","10936","10948","10.1021/ic400972k","","","0.71075","MoKα","","","0.0417","","","","0.0835","","","","","","1.048","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336158","9.69","0.003","21.045","0.007","30.112","0.013","90","","90","","90","","6141","4","163.1","","163","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H31 Co N3 O6 -","- C36 H30 Co N3 O6 -","- C288 H240 Co8 N24 O48 -","8","1","","Ying-Ji Sun; Qian-Qian Huang; Tetsuro Tano; Shinobu Itoh","Flavonolate Complexes of MII (M = Mn, Fe, Co, Ni, Cu, and Zn). Structural and Functional Models for the ES (Enzyme-Substrate) Complex of Quercetin 2,3-Dioxygenase","Inorganic Chemistry","2013","52","","10936","10948","10.1021/ic400972k","","","0.71075","MoKα","","","0.0286","","","","0.0368","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336159","8.1072","0.0005","11.0499","0.0006","11.4713","0.0008","90","","90.187","0.003","90","","1027.64","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 S3 -","- C10 H12 S3 -","- C40 H48 S12 -","4","1","","Yu-Chun Chuang; Ya-Wen Li; I-Jui Hsu; Gene-Hsiang Lee; Yu Wang","Bond Characterization of a Unique Thiathiophthene Derivative: Combined Charge Density Study and X-ray Absorption Spectroscopy","Inorganic Chemistry","2013","52","","10958","10967","10.1021/ic4010455","","","0.71073","MoKα","","0.0377","0.0277","","","0.0671","0.0719","","","","","","1.121","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336160","14.033","0.003","11.195","0.002","8.2097","0.0016","90","","124.26","0.03","90","","1066","0.5","300","2","300","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C10 H12 S3 -","- C10 H12 S3 -","- C40 H48 S12 -","4","0.5","","Yu-Chun Chuang; Ya-Wen Li; I-Jui Hsu; Gene-Hsiang Lee; Yu Wang","Bond Characterization of a Unique Thiathiophthene Derivative: Combined Charge Density Study and X-ray Absorption Spectroscopy","Inorganic Chemistry","2013","52","","10958","10967","10.1021/ic4010455","","","0.71073","MoKα","","0.0501","0.0331","","","0.0844","0.0919","","","","","","1.05","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336161","22.285","0.012","8.856","0.005","28.583","0.016","90","","100.228","0.007","90","","5551","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Co3 N28 O24 -","- C37 H32 Co3 N28 O24 -","- C148 H128 Co12 N112 O96 -","4","1","","Dayu Wu; Xingxing Zhang; Ping Huang; Wei Huang; Mingyue Ruan; Z. W. Ouyang","Tuning Transverse Anisotropy in CoIII-CoII-CoIII Mixed-Valence Complex toward Slow Magnetic Relaxation","Inorganic Chemistry","2013","52","","10976","10982","10.1021/ic401057f","","","0.71073","MoKα","","0.0833","0.0578","","","0.1575","0.1704","","","","","","1.027","","","","has coordinates,has disorder","179464","2020-10-21","18:00:00",""
"4336162","8.9739","0.0004","10.1458","0.0004","16.9041","0.0005","85.65","0.003","84.829","0.003","75.965","0.004","1484.73","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Co1.5 N12 O12 -","- C22 H18 Co1.5 N12 O12 -","- C44 H36 Co3 N24 O24 -","2","1","","Dayu Wu; Xingxing Zhang; Ping Huang; Wei Huang; Mingyue Ruan; Z. W. Ouyang","Tuning Transverse Anisotropy in CoIII-CoII-CoIII Mixed-Valence Complex toward Slow Magnetic Relaxation","Inorganic Chemistry","2013","52","","10976","10982","10.1021/ic401057f","","","0.71073","MoKα","","0.069","0.0638","","","0.1862","0.1906","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336163","10.721","0.0007","25.8739","0.001","9.5479","0.0004","90","","91.161","0.006","90","","2648","0.2","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H50 Fe3 N10 -","- C68 H50 Fe3 N10 -","- C136 H100 Fe6 N20 -","2","0.5","","Victor N. Nemykin; Anatolii A. Purchel; Andrew D. Spaeth; Mikhail V. Barybin","Probing the Electronic Properties of a Trinuclear Molecular Wire Involving Isocyanoferrocene and Iron(II) Phthalocyanine Motifs","Inorganic Chemistry","2013","52","","11004","11012","10.1021/ic4011423","","","0.71075","MoKα","","0.0778","0.0505","","0.0934","0.0777","0.0934","","","","","","0.9826","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336164","17.794","0.0008","12.1974","0.0005","18.4241","0.0012","90","","115.624","0.008","90","","3605.5","0.4","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Fe N10 -","- C42 H34 Fe N10 -","- C168 H136 Fe4 N40 -","4","1","","Victor N. Nemykin; Anatolii A. Purchel; Andrew D. Spaeth; Mikhail V. Barybin","Probing the Electronic Properties of a Trinuclear Molecular Wire Involving Isocyanoferrocene and Iron(II) Phthalocyanine Motifs","Inorganic Chemistry","2013","52","","11004","11012","10.1021/ic4011423","","","0.71075","MoKα","","0.0755","0.0513","","0.1192","0.0979","0.1192","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336165","10.8274","0.0001","9.8211","0.00008","17.7373","0.00002","90","","103.026","0.0008","90","","1837.6","0.02","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Co3 N22 O6 -","- C22 H42 Co3 N22 O6 -","- C44 H84 Co6 N44 O12 -","2","0.5","","Lai-Chin Wu; Tsu-Chien Weng; I-Jui Hsu; Yi-Hung Liu; Gene-Hsiang Lee; Jyh-Fu, Lee; Yu Wang","Chemical Bond Characterization of a Mixed-Valence Tri-Cobalt Complex, Co3(μ-admtrz)4(μ-OH)2(CN)6.2H2O","Inorganic Chemistry","2013","52","","11023","11033","10.1021/ic401147b","","","0.71073","MoKα","","0.0452","0.0272","","","0.0624","0.0645","","","","","","0.871","","","","has coordinates,has disorder","179464","2020-10-21","18:00:00",""
"4336166","8.4009","0.0006","8.0369","0.0006","22.4435","0.0016","90","","95.376","0.001","90","","1508.66","0.19","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H41 O7 Ru -","- C31 H41 O7 Ru -","- C62 H82 O14 Ru2 -","2","1","","Jun Yoshida; Go Watanabe; Kaori Kakizawa; Yasuhiro Kawabata; Hidetaka Yuge","Tris(β-diketonato) Ru(III) Complexes as Chiral Dopants for Nematic Liquid Crystals: the Effect of the Molecular Structure on the Helical Twisting Power","Inorganic Chemistry","2013","52","","11042","11050","10.1021/ic401240f","","","0.71073","MoKα","","0.0296","0.0276","","","","0.072","","","","","","1.057","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336167","7.6335","0.0008","11.7149","0.0013","11.9732","0.0013","106.238","0.001","94.046","0.001","100.141","0.001","1003.78","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 I O6 Ru -","- C18 H23 I O6 Ru -","- C36 H46 I2 O12 Ru2 -","2","1","","Jun Yoshida; Go Watanabe; Kaori Kakizawa; Yasuhiro Kawabata; Hidetaka Yuge","Tris(β-diketonato) Ru(III) Complexes as Chiral Dopants for Nematic Liquid Crystals: the Effect of the Molecular Structure on the Helical Twisting Power","Inorganic Chemistry","2013","52","","11042","11050","10.1021/ic401240f","","","0.71073","MoKα","","0.0372","0.0309","","","","0.1155","","","","","","0.932","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336168","13.0982","0.0012","21.3621","0.0019","11.9411","0.001","90","","90","","90","","3341.2","0.5","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C39 H33 O6 Ru -","- C39 H33 O6 Ru -","- C156 H132 O24 Ru4 -","4","0.5","","Jun Yoshida; Go Watanabe; Kaori Kakizawa; Yasuhiro Kawabata; Hidetaka Yuge","Tris(β-diketonato) Ru(III) Complexes as Chiral Dopants for Nematic Liquid Crystals: the Effect of the Molecular Structure on the Helical Twisting Power","Inorganic Chemistry","2013","52","","11042","11050","10.1021/ic401240f","","","0.71073","MoKα","","0.0565","0.0302","","","","0.1063","","","","","","1.156","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336169","34.044","0.005","34.044","0.005","7.401","0.005","90","","90","","90","","8578","6","100","2","100","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","","","","- C15 H19 I2 O6 Ru -","- C15 H19 I2 O6 Ru -","- C240 H304 I32 O96 Ru16 -","16","1","","Jun Yoshida; Go Watanabe; Kaori Kakizawa; Yasuhiro Kawabata; Hidetaka Yuge","Tris(β-diketonato) Ru(III) Complexes as Chiral Dopants for Nematic Liquid Crystals: the Effect of the Molecular Structure on the Helical Twisting Power","Inorganic Chemistry","2013","52","","11042","11050","10.1021/ic401240f","","","0.71073","MoKα","","0.0685","0.0549","","","","0.1468","","","","","","1.018","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336170","12.7944","0.0006","10.1095","0.0005","16.1617","0.0007","90","","105.61","","90","","2013.33","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 I3 O6 Ru -","- C15 H18 I3 O6 Ru -","- C60 H72 I12 O24 Ru4 -","4","1","","Jun Yoshida; Go Watanabe; Kaori Kakizawa; Yasuhiro Kawabata; Hidetaka Yuge","Tris(β-diketonato) Ru(III) Complexes as Chiral Dopants for Nematic Liquid Crystals: the Effect of the Molecular Structure on the Helical Twisting Power","Inorganic Chemistry","2013","52","","11042","11050","10.1021/ic401240f","","","0.71073","MoKα","","0.0235","0.0201","","","","0.0531","","","","","","1.08","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336171","7.07","0.004","10.986","0.007","17.65","0.011","105.695","0.014","92.008","0.006","93.611","0.004","1315.2","1.4","90","2","90","2","","","","","","","","6","P -1","-P 1","2","[2-methylsulfanyl phenyl]pyridine-2-carboxamide nitrido-O-copper(II)","","","- C13 H11 Cu N3 O3 S -","- C13 H11 Cu N3 O3 S -","- C52 H44 Cu4 N12 O12 S4 -","4","2","","Ram Chandra Maji; Suman Kumar Barman; Suprakash Roy; Sudip K. Chatterjee; Faye L. Bowles; Marilyn M. Olmstead; Apurba K. Patra","Copper Complexes Relevant to the Catalytic Cycle of Copper Nitrite Reductase: Electrochemical Detection of NO(g) Evolution and Flipping of NO2 Binding Mode upon CuII →CuI Reduction","Inorganic Chemistry","2013","52","","11084","11095","10.1021/ic401295t","","","0.71073","MoKα","","0.0456","0.0343","","","0.0844","0.0892","","","","","","1.033","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336172","7.6549","0.0007","19.104","0.002","22.017","0.007","90","","90","","90","","3219.7","1.1","90","2","90","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","RM-7","","","- C13 H15 Cl Cu N2 O7 S -","- C13 H15 Cl Cu N2 O7 S -","- C104 H120 Cl8 Cu8 N16 O56 S8 -","8","1","","Ram Chandra Maji; Suman Kumar Barman; Suprakash Roy; Sudip K. Chatterjee; Faye L. Bowles; Marilyn M. Olmstead; Apurba K. Patra","Copper Complexes Relevant to the Catalytic Cycle of Copper Nitrite Reductase: Electrochemical Detection of NO(g) Evolution and Flipping of NO2 Binding Mode upon CuII →CuI Reduction","Inorganic Chemistry","2013","52","","11084","11095","10.1021/ic401295t","","","0.7749","synchrotron","","0.0484","0.0355","","","0.0841","0.0894","","","","","","1.054","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336173","7.6173","0.0004","19.0453","0.0011","11.2557","0.0007","90","","97.839","0.005","90","","1617.65","0.16","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Cl Cu N2 O6 S -","- C14 H15 Cl Cu N2 O6 S -","- C56 H60 Cl4 Cu4 N8 O24 S4 -","4","1","","Ram Chandra Maji; Suman Kumar Barman; Suprakash Roy; Sudip K. Chatterjee; Faye L. Bowles; Marilyn M. Olmstead; Apurba K. Patra","Copper Complexes Relevant to the Catalytic Cycle of Copper Nitrite Reductase: Electrochemical Detection of NO(g) Evolution and Flipping of NO2 Binding Mode upon CuII →CuI Reduction","Inorganic Chemistry","2013","52","","11084","11095","10.1021/ic401295t","","","0.71073","MoKα","","0.029","0.0274","","","0.0758","0.0765","","","","","","1.092","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336174","7.032","0.002","17.395","0.005","13.098","0.004","90","","99.315","0.007","90","","1581","0.8","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","RM-5","","","- C15 H16 Cu N2 O4 S -","- C15 H16 Cu N2 O4 S -","- C60 H64 Cu4 N8 O16 S4 -","4","1","","Ram Chandra Maji; Suman Kumar Barman; Suprakash Roy; Sudip K. Chatterjee; Faye L. Bowles; Marilyn M. Olmstead; Apurba K. Patra","Copper Complexes Relevant to the Catalytic Cycle of Copper Nitrite Reductase: Electrochemical Detection of NO(g) Evolution and Flipping of NO2 Binding Mode upon CuII →CuI Reduction","Inorganic Chemistry","2013","52","","11084","11095","10.1021/ic401295t","","","0.71073","MoKα","","0.0296","0.0283","","","0.0635","0.064","","","","","","1.189","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4336175","6.9714","0.0002","12.0787","0.0005","13.3935","0.0005","90","","99.865","0.005","90","","1111.13","0.07","295","","295","","","","","","","","synthesis as described","3","C 1 c 1","C -2yc","9","","","","- Cu2 Se3 Sn -","- Cu2 Se3 Sn -","- Cu16 Se24 Sn8 -","8","2","","Jing Fan; Wilder Carrillo-Cabrera; Lev Akselrud; Iryna Antonyshyn; Lidong Chen; Yuri Grin","New Monoclinic Phase at the Composition Cu2SnSe3 and Its Thermoelectric Properties","Inorganic Chemistry","2013","52","","11067","11074","10.1021/ic401317k","powder diffraction","","0.430459","synchrotron","","","","","","","","","","","","","","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336176","10.8965","0.0004","12.1168","0.0003","17.4238","0.0007","92.718","0.002","107.133","0.002","97.842","0.002","2168.48","0.13","123","2","123","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C17 H52 Cl4 Cu6 N8 O25 -","- C17 H52 Cl4 Cu6 N8 O25 -","- C34 H104 Cl8 Cu12 N16 O50 -","2","1","","Petri Seppälä; Enrique Colacio; Antonio J. Mota; Reijo Sillanpää","Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and ""Bicapped Cubane"" Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study","Inorganic Chemistry","2013","52","","11096","11109","10.1021/ic401325b","","x-ray","0.71073","MoKα","","0.0658","0.0544","","","0.1171","0.1223","","","","","","1.077","","","","has coordinates,has disorder","179464","2020-10-21","18:00:00",""
"4336177","13.0938","0.0006","13.0938","0.0006","9.4657","0.0003","90","","90","","90","","1622.87","0.12","123","2","123","2","","","","","","","synthesis as described","6","P 42/n :2","-P 4bc","86","","","","- C16 H41 Ag Cu4 N8 O17 -","- C16 H41 Ag Cu4 N8 O17 -","- C32 H82 Ag2 Cu8 N16 O34 -","2","0.25","","Petri Seppälä; Enrique Colacio; Antonio J. Mota; Reijo Sillanpää","Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and ""Bicapped Cubane"" Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study","Inorganic Chemistry","2013","52","","11096","11109","10.1021/ic401325b","","x-ray","0.71073","MoKα","","0.0685","0.0521","","","0.095","0.1023","","","","","","1.102","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336178","13.124","0.0005","13.124","0.0005","9.4257","0.0002","90","","90","","90","","1623.48","0.09","123","2","123","2","","","","","","","synthesis as described","6","P 42/n :2","-P 4bc","86","","","","- C16 H41 Cu4 N8 Na O17 -","- C16 H41 Cu4 N8 Na O17 -","- C32 H82 Cu8 N16 Na2 O34 -","2","0.25","","Petri Seppälä; Enrique Colacio; Antonio J. Mota; Reijo Sillanpää","Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and ""Bicapped Cubane"" Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study","Inorganic Chemistry","2013","52","","11096","11109","10.1021/ic401325b","","x-ray","0.71073","MoKα","","0.0611","0.0522","","","0.0989","0.1034","","","","","","1.043","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336179","13.133","0.0004","13.133","0.0004","9.6551","0.0002","90","","90","","90","","1665.27","0.08","123","2","123","2","","","","","","","synthesis as described","6","P 42/n :2","-P 4bc","86","","","","- C16 H41 Cu4 K N8 O17 -","- C16 H41 Cu4 K N8 O17 -","- C32 H82 Cu8 K2 N16 O34 -","2","0.25","","Petri Seppälä; Enrique Colacio; Antonio J. Mota; Reijo Sillanpää","Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and ""Bicapped Cubane"" Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study","Inorganic Chemistry","2013","52","","11096","11109","10.1021/ic401325b","","x-ray","0.71073","MoKα","","0.06","0.0509","","","0.1152","0.1209","","","","","","1.049","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336180","15.8635","0.0012","7.0947","0.0003","12.5603","0.0009","90","","127.281","0.002","90","","1124.78","0.13","123","2","123","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 Cu N4 O8 -","- C4 H14 Cu N4 O8 -","- C16 H56 Cu4 N16 O32 -","4","0.5","","Petri Seppälä; Enrique Colacio; Antonio J. Mota; Reijo Sillanpää","Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and ""Bicapped Cubane"" Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study","Inorganic Chemistry","2013","52","","11096","11109","10.1021/ic401325b","","x-ray","0.71073","MoKα","","0.0278","0.0244","","","0.0584","0.0596","","","","","","1.075","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336181","14.9786","0.001","9.9221","0.0005","15.4789","0.0012","90","","94.305","0.003","90","","2294","0.3","123","2","123","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H26 Ag2 Cu2 N8 O16 -","- C8 H26 Ag2 Cu2 N8 O16 -","- C32 H104 Ag8 Cu8 N32 O64 -","4","0.5","","Petri Seppälä; Enrique Colacio; Antonio J. Mota; Reijo Sillanpää","Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and ""Bicapped Cubane"" Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study","Inorganic Chemistry","2013","52","","11096","11109","10.1021/ic401325b","","x-ray","0.71073","MoKα","","0.0327","0.0268","","","0.0555","0.0577","","","","","","1.04","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336182","6.0257","0.0004","16.9504","0.0014","9.4933","0.0005","90","","93.433","0.004","90","","967.89","0.11","123","2","123","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Ag0.93 Cu0.07 N3 O5 -","- C6 H12 Ag0.927 Cu0.073 N3 O5 -","- C24 H48 Ag3.708 Cu0.292 N12 O20 -","4","1","","Petri Seppälä; Enrique Colacio; Antonio J. Mota; Reijo Sillanpää","Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and ""Bicapped Cubane"" Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study","Inorganic Chemistry","2013","52","","11096","11109","10.1021/ic401325b","","x-ray","0.71073","MoKα","","0.0349","0.0258","","","0.0507","0.053","","","","","","1.053","","","","has coordinates,has disorder","179464","2020-10-21","18:00:00",""
"4336183","6.1302","0.0002","8.2951","0.0005","8.3351","0.0005","103.745","0.003","91.979","0.003","90.665","0.003","411.38","0.04","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C5 H12 Cu N2 O4 -","- C5 H12 Cu N2 O4 -","- C10 H24 Cu2 N4 O8 -","2","1","","Petri Seppälä; Enrique Colacio; Antonio J. Mota; Reijo Sillanpää","Structural Diversity due to Amino Alcohol Ligands Leading to Rare μ4-Hydroxo-Bridged Tetranuclear and ""Bicapped Cubane"" Cores in Copper(II) Complexes: A Theoretical and Experimental Magnetostructural Study","Inorganic Chemistry","2013","52","","11096","11109","10.1021/ic401325b","","x-ray","0.71073","MoKα","","0.038","0.0353","","","0.0845","0.0856","","","","","","1.073","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336184","18.5878","0.0008","18.5878","0.0008","18.5878","0.0008","90","","90","","90","","6422.2","0.5","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au10 Mo4 Zn89 -","- Au10 Mo4 Zn89 -","- Au40 Mo16 Zn356 -","4","0.0416667","","Partha Pratim Jana; Arina A. Pankova; Sven Lidin","Au10Mo4Zn89: A Fully Ordered Complex Intermetallic Compound Analyzed by TOPOS","Inorganic Chemistry","2013","52","","11110","11117","10.1021/ic4013312","","","0.7107","MoKα","","0.0473","0.0328","","","0.0598","0.0654","","","","1.12","1.12","1.08","","","","has coordinates,has Fobs","288070","2023-12-06","12:50:40",""
"4336185","18.603","0.0009","18.603","0.0009","18.603","0.0009","90","","90","","90","","6438","0.5","293","","293","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Au10 Mo4 Zn89 -","- Au10 Mo4 Zn89 -","- Au40 Mo16 Zn356 -","4","0.0416667","","Partha Pratim Jana; Arina A. Pankova; Sven Lidin","Au10Mo4Zn89: A Fully Ordered Complex Intermetallic Compound Analyzed by TOPOS","Inorganic Chemistry","2013","52","","11110","11117","10.1021/ic4013312","","x-ray","0.7107","MoKα","","0.0351","0.0257","","","0.0503","0.055","","","","0.92","0.92","0.92","","","","has coordinates,has Fobs","288070","2023-12-06","12:50:44",""
"4336186","5.7469","0.0002","19.1069","0.0008","24.8188","0.0009","90","","92.146","0.002","90","","2723.33","0.18","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 O -","- C36 H34 O -","- C144 H136 O4 -","4","1","","Keith Searles; Ba L. Tran; Maren Pink; Chun-Hsing Chen; Daniel J. Mindiola","3d Early Transition Metal Complexes Supported by a New Sterically Demanding Aryloxide Ligand","Inorganic Chemistry","2013","52","","11126","11135","10.1021/ic401363p","","","0.71073","MoKα","","0.0637","0.0475","","0.1328","0.1162","0.1327","","","","","","1.0076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336187","23.298","0.002","15.8883","0.0014","23.727","0.002","90","","115.921","0.002","90","","7899.3","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C92 H106 Cl O7 V -","- C92 H106 Cl O7 V -","- C368 H424 Cl4 O28 V4 -","4","1","","Keith Searles; Ba L. Tran; Maren Pink; Chun-Hsing Chen; Daniel J. Mindiola","3d Early Transition Metal Complexes Supported by a New Sterically Demanding Aryloxide Ligand","Inorganic Chemistry","2013","52","","11126","11135","10.1021/ic401363p","","","0.71073","MoKα","","0.102","0.058","","","0.1387","0.1607","","","","","","1.033","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336188","18.4411","0.0006","16.1932","0.0006","26.2278","0.0009","90","","105.838","0.001","90","","7534.8","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C94 H98 Cl Cr O4 -","- C94 H98 Cl Cr O4 -","- C376 H392 Cl4 Cr4 O16 -","4","1","","Keith Searles; Ba L. Tran; Maren Pink; Chun-Hsing Chen; Daniel J. Mindiola","3d Early Transition Metal Complexes Supported by a New Sterically Demanding Aryloxide Ligand","Inorganic Chemistry","2013","52","","11126","11135","10.1021/ic401363p","","","0.41328","Synchrotron","","0.1064","0.0571","","0.1556","0.128","0.1539","","","","","","0.9914","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336189","10.3211","0.0017","12.777","0.002","13.069","0.002","80.374","0.003","76.077","0.003","80.536","0.004","1635.3","0.4","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C80 H82 Na2 O4 -","- C80 H82 Na2 O4 -","- C80 H82 Na2 O4 -","1","0.5","","Keith Searles; Ba L. Tran; Maren Pink; Chun-Hsing Chen; Daniel J. Mindiola","3d Early Transition Metal Complexes Supported by a New Sterically Demanding Aryloxide Ligand","Inorganic Chemistry","2013","52","","11126","11135","10.1021/ic401363p","","","0.71073","MoKα","","0.0724","0.0542","","0.1651","0.1386","0.1648","","","","","","1.0355","","","","has coordinates,has disorder","179464","2020-10-21","18:00:00",""
"4336190","10.9681","0.0018","27.621","0.005","21.003","0.004","90","","90.07","0.004","90","","6363","2","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H73 Cl2 N O2 Ti -","- C74 H73 Cl2 N O2 Ti -","- C296 H292 Cl8 N4 O8 Ti4 -","4","1","","Keith Searles; Ba L. Tran; Maren Pink; Chun-Hsing Chen; Daniel J. Mindiola","3d Early Transition Metal Complexes Supported by a New Sterically Demanding Aryloxide Ligand","Inorganic Chemistry","2013","52","","11126","11135","10.1021/ic401363p","","","0.41328","Synchrotron","","0.1513","0.0947","","0.2591","0.2228","0.259","","","","","","0.9876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336191","8.9416","0.0013","10.9173","0.0014","12.055","0.0014","66.61","0.012","84.216","0.01","89.727","0.011","1073.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H19 B F2 N4 O2 -","- C25 H19 B F2 N4 O2 -","- C50 H38 B2 F4 N8 O4 -","2","1","","Sheri Madhu; Dharmendar Kumar Sharma; Santanu Kumar Basu; Sameer Jadhav; Arindam Chowdhury; Mangalampalli Ravikanth","Sensing Hg(II)in Vitro and in Vivo Using a Benzimidazole Substituted BODIPY","Inorganic Chemistry","2013","52","","11136","11145","10.1021/ic401365x","","","0.71073","MoKα","","0.0779","0.0393","","","0.0884","0.0963","","","","","","0.836","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336192","12.1197","0.0006","10.7416","0.0005","16.1456","0.0008","90","","108.749","0.001","90","","1990.38","0.17","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20.1 Br0.1 N2 O3 -","- C25 H20.1 Br0.1 N2 O3 -","- C100 H80.4 Br0.4 N8 O12 -","4","1","","Arnaud Parrot; Guillaume Izzet; Lise-Marie Chamoreau; Anna Proust; Olivier Oms; Anne Dolbecq; Khadija Hakouk; Houda El Bekkachi; Philippe Deniard; Rémi Dessapt; Pierre Mialane","Photochromic Properties of Polyoxotungstates with Grafted Spiropyran Molecules","Inorganic Chemistry","2013","52","","11156","11163","10.1021/ic401380a","","","0.71073","MoKα","","0.0712","0.0514","","","0.1245","0.1324","","","","","","1.11","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336193","6.222","0.002","6.222","0.002","8.328","0.002","90","","90","","90","","322.4","0.17","298","2","298","2","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- B0.88 Si1.12 Ta3.5 -","- B0.88 Si1.12 Ta3.5 -","- B3.52 Si4.48 Ta14 -","4","0.25","","V. Romaka; V. Fosodeder; P. F. Rogl; É. C. T. Ramos; C. A. Nunes; G. C. Coelho; G. Giester","Novel Refractory Phase, Ta7Si2(SixB1-x)2","Inorganic Chemistry","2013","52","","11295","11301","10.1021/ic401413f","","","0.71069","MoKα","","0.0263","0.0237","","","0.0478","0.0485","","","","","","1.308","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336194","14.9211","0.0015","19.9947","0.0014","19.9744","0.0014","90","","105.086","0.003","90","","5753.8","0.8","123","2","123","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C43 H51.5 Cl2 Co Dy N2 O11.25 P3 S6 -","- C43 H51.5 Cl2 Co Dy N2 O11.25 P3 S6 -","- C172 H206 Cl8 Co4 Dy4 N8 O45 P12 S24 -","4","1","","Feng Gao; Long Cui; Wei Liu; Liang Hu; Yu-Wu Zhong; Yi-Zhi Li; Jing-Lin Zuo","Seven-Coordinate Lanthanide Sandwich-Type Complexes with a Tetrathiafulvalene-Fused Schiff Base Ligand","Inorganic Chemistry","2013","52","","11164","11172","10.1021/ic401421h","","","0.71073","MoKα","","0.0714","0.0607","","","0.1489","0.1506","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336195","14.8268","0.0017","19.9048","0.0016","20.3778","0.0017","90","","105.3","0.003","90","","5800.8","0.9","123","2","123","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C43 H51.5 Cl2 Co N2 O11.25 P3 S6 Tb -","- C43 H51.5 Cl2 Co N2 O11.25 P3 S6 Tb -","- C172 H206 Cl8 Co4 N8 O45 P12 S24 Tb4 -","4","1","","Feng Gao; Long Cui; Wei Liu; Liang Hu; Yu-Wu Zhong; Yi-Zhi Li; Jing-Lin Zuo","Seven-Coordinate Lanthanide Sandwich-Type Complexes with a Tetrathiafulvalene-Fused Schiff Base Ligand","Inorganic Chemistry","2013","52","","11164","11172","10.1021/ic401421h","","","0.71073","MoKα","","0.0591","0.0487","","","0.1094","0.1112","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336196","14.9021","0.0019","20.1141","0.0011","20.2924","0.0015","90","","105.571","0.004","90","","5859.3","0.9","123","2","123","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C43 H51.5 Cl2 Co Ho N2 O11.25 P3 S6 -","- C43 H51.5 Cl2 Co Ho N2 O11.25 P3 S6 -","- C172 H206 Cl8 Co4 Ho4 N8 O45 P12 S24 -","4","1","","Feng Gao; Long Cui; Wei Liu; Liang Hu; Yu-Wu Zhong; Yi-Zhi Li; Jing-Lin Zuo","Seven-Coordinate Lanthanide Sandwich-Type Complexes with a Tetrathiafulvalene-Fused Schiff Base Ligand","Inorganic Chemistry","2013","52","","11164","11172","10.1021/ic401421h","","","0.71073","MoKα","","0.0604","0.0524","","","0.1351","0.137","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336197","57.0002","0.0008","17.0179","0.0003","34.8057","0.0007","90","","122.5","0.001","90","","28474.9","0.9","153","2","153","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C92 H62 N4 O38 P4 Pd2 W12 -","- C92 H62 N4 O38 P4 Pd2 W11.9997 -","- C736 H496 N32 O304 P32 Pd16 W95.9976 -","8","1","","Kazuhiro Uehara; Takamichi Oishi; Takayuki Hirose; Noritaka Mizuno","Synthesis and Characterization of Molecular Hexagons and Rhomboids and Subsequent Encapsulation of Keggin-Type Polyoxometalates by Molecular Hexagons","Inorganic Chemistry","2013","52","","11200","11209","10.1021/ic401428v","","x-ray","0.71069","MoKα","","","0.0931","","","","0.2955","","","","","","0.967","","","","has coordinates,has disorder","179464","2020-10-21","18:00:00",""
"4336198","30.465","0.001","30.465","0.001","8.7859","0.0004","90","","90","","120","","7061.9","0.5","153","2","153","","","","","","","","","4","P -3","-P 3","147","","","","- C66 H60 N12 Pd3 -","- C66 H60 N12 Pd3 -","- C132 H120 N24 Pd6 -","2","0.333333","","Kazuhiro Uehara; Takamichi Oishi; Takayuki Hirose; Noritaka Mizuno","Synthesis and Characterization of Molecular Hexagons and Rhomboids and Subsequent Encapsulation of Keggin-Type Polyoxometalates by Molecular Hexagons","Inorganic Chemistry","2013","52","","11200","11209","10.1021/ic401428v","","x-ray","0.71069","MoKα","","","0.0678","","","","0.221","","","","","","0.631","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336199","19.7695","0.0009","21.0669","0.0009","24.6332","0.0015","99.229","0.002","92.209","0.003","117.576","0.004","8901.2","0.9","153","2","153","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 N8 Pd2 -","- C52 H56 N8 Pd2 -","- C208 H224 N32 Pd8 -","4","2","","Kazuhiro Uehara; Takamichi Oishi; Takayuki Hirose; Noritaka Mizuno","Synthesis and Characterization of Molecular Hexagons and Rhomboids and Subsequent Encapsulation of Keggin-Type Polyoxometalates by Molecular Hexagons","Inorganic Chemistry","2013","52","","11200","11209","10.1021/ic401428v","","x-ray","0.71069","MoKα","","","0.1077","","","","0.2892","","","","","","1.026","","","","has coordinates","179464","2020-10-21","18:00:00",""
"4336200","6.8867","0.0004","7.9366","0.0005","22.8316","0.0014","94.275","0.004","91.936","0.004","112.067","0.003","1150.69","0.12","89","2","89","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H38 Cl3 N3 -","- C20 H38 Cl3 N3 -","- C40 H76 Cl6 N6 -","2","1","","Jonathan A. Kitchen; Juan Olguín; Rafal Kulmaczewski; Nicholas G. White; Victoria A. Milway; Guy N. L. Jameson; Jeffery L. Tallon; Sally Brooker","Effect of N4-Substituent Choice on Spin Crossover in Dinuclear Iron(II) Complexes of Bis-Terdentate 1,2,4-Triazole-Based Ligands","Inorganic Chemistry","2013","52","","11185","11199","10.1021/ic4014416","","","0.71073","MoKα","","0.0596","0.0401","","","0.1034","0.1205","","","","","","1.09","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336201","21.4531","0.0011","7.233","0.0003","17.4598","0.0009","90","","105.786","0.002","90","","2607.1","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cl3 N3 -","- C11 H12 Cl3 N3 -","- C88 H96 Cl24 N24 -","8","2","","Jonathan A. Kitchen; Juan Olguín; Rafal Kulmaczewski; Nicholas G. White; Victoria A. Milway; Guy N. L. Jameson; Jeffery L. Tallon; Sally Brooker","Effect of N4-Substituent Choice on Spin Crossover in Dinuclear Iron(II) Complexes of Bis-Terdentate 1,2,4-Triazole-Based Ligands","Inorganic Chemistry","2013","52","","11185","11199","10.1021/ic4014416","","","0.71073","MoKα","","0.0578","0.0433","","","0.0821","0.0887","","","","","","1.057","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336202","8.8761","0.0012","11.6238","0.0016","12.6345","0.0018","90","","108.02","0.006","90","","1239.6","0.3","92","2","92","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cl3 N3 -","- C10 H10 Cl3 N3 -","- C40 H40 Cl12 N12 -","4","1","","Jonathan A. Kitchen; Juan Olguín; Rafal Kulmaczewski; Nicholas G. White; Victoria A. Milway; Guy N. L. Jameson; Jeffery L. Tallon; Sally Brooker","Effect of N4-Substituent Choice on Spin Crossover in Dinuclear Iron(II) Complexes of Bis-Terdentate 1,2,4-Triazole-Based Ligands","Inorganic Chemistry","2013","52","","11185","11199","10.1021/ic4014416","","","0.71073","MoKα","","0.029","0.0274","","","0.0781","0.0792","","","","","","1.104","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336203","7.101","0.0006","7.7425","0.0006","12.3313","0.001","102.168","0.003","90.296","0.003","112.04","0.003","611.64","0.09","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 Cl3 N3 -","- C8 H14 Cl3 N3 -","- C16 H28 Cl6 N6 -","2","1","","Jonathan A. Kitchen; Juan Olguín; Rafal Kulmaczewski; Nicholas G. White; Victoria A. Milway; Guy N. L. Jameson; Jeffery L. Tallon; Sally Brooker","Effect of N4-Substituent Choice on Spin Crossover in Dinuclear Iron(II) Complexes of Bis-Terdentate 1,2,4-Triazole-Based Ligands","Inorganic Chemistry","2013","52","","11185","11199","10.1021/ic4014416","","","0.71073","MoKα","","0.032","0.03","","","0.0758","0.0774","","","","","","1.117","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336204","16.9951","0.0009","10.368","0.0005","19.8568","0.001","90","","113.239","0.003","90","","3215","0.3","90","2","90","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 B4 F16 Fe2 N20 O4 -","- C52 H72 B4 F16 Fe2 N20 O4 -","- C104 H144 B8 F32 Fe4 N40 O8 -","2","0.5","","Jonathan A. Kitchen; Juan Olguín; Rafal Kulmaczewski; Nicholas G. White; Victoria A. Milway; Guy N. L. Jameson; Jeffery L. Tallon; Sally Brooker","Effect of N4-Substituent Choice on Spin Crossover in Dinuclear Iron(II) Complexes of Bis-Terdentate 1,2,4-Triazole-Based Ligands","Inorganic Chemistry","2013","52","","11185","11199","10.1021/ic4014416","","","0.71073","MoKα","","0.0472","0.0342","","","0.0839","0.0909","","","","","","1.064","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336205","11.604","0.003","20.012","0.006","27.927","0.007","90","","97.959","0.014","90","","6423","3","91","2","91","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 B4 F16 Fe2 N16 -","- C56 H56 B4 F16 Fe2 N16 -","- C224 H224 B16 F64 Fe8 N64 -","4","1","","Jonathan A. Kitchen; Juan Olguín; Rafal Kulmaczewski; Nicholas G. White; Victoria A. Milway; Guy N. L. Jameson; Jeffery L. Tallon; Sally Brooker","Effect of N4-Substituent Choice on Spin Crossover in Dinuclear Iron(II) Complexes of Bis-Terdentate 1,2,4-Triazole-Based Ligands","Inorganic Chemistry","2013","52","","11185","11199","10.1021/ic4014416","","","0.71073","MoKα","","0.1701","0.0705","","","0.1402","0.1686","","","","","","0.924","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336206","13.7234","0.0011","20.7579","0.0013","10.1221","0.0008","90","","97.764","0.003","90","","2857","0.4","91","2","91","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H56 B4 F16 Fe2 N16 -","- C50 H56 B4 F16 Fe2 N16 -","- C100 H112 B8 F32 Fe4 N32 -","2","0.5","","Jonathan A. Kitchen; Juan Olguín; Rafal Kulmaczewski; Nicholas G. White; Victoria A. Milway; Guy N. L. Jameson; Jeffery L. Tallon; Sally Brooker","Effect of N4-Substituent Choice on Spin Crossover in Dinuclear Iron(II) Complexes of Bis-Terdentate 1,2,4-Triazole-Based Ligands","Inorganic Chemistry","2013","52","","11185","11199","10.1021/ic4014416","","","0.71073","MoKα","","0.1066","0.0744","","","0.1673","0.1901","","","","","","1.038","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336207","17.156","0.003","20.387","0.004","20.562","0.004","90","","90","","90","","7192","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 K4 O25 Zr -","- C24 H26 K4 O25 Zr -","- C192 H208 K32 O200 Zr8 -","8","1","","Inhar Imaz; Georges Mouchaham; Nans Roques; Stéphane Brandès; Jean-Pascal Sutter","Tetradihydrobenzoquinonate and Tetrachloranilate Zr(IV) Complexes: Single-Crystal-to-Single-Crystal Phase Transition and Open-Framework Behavior for K4Zr(DBQ)4","Inorganic Chemistry","2013","52","","11237","11243","10.1021/ic401474f","","","0.71073","MoKα","","0.061","0.0502","","","0.1637","0.1868","","","","","","1.227","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336208","17.34","0.002","20.333","0.002","16.515","0.002","90","","90","","90","","5822.8","1.1","373","2","373","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H8 K4 O16 Zr -","- C24 H8 K4 O16 Zr -","- C192 H64 K32 O128 Zr8 -","8","1","","Inhar Imaz; Georges Mouchaham; Nans Roques; Stéphane Brandès","Tetradihydrobenzoquinonate and Tetrachloranilate Zr(IV) Complexes: Single-Crystal-to-Single-Crystal Phase Transition and Open-Framework Behavior for K4Zr(DBQ)4","Inorganic Chemistry","2013","52","","11237","11243","10.1021/ic401474f","","","0.71073","MoKα","","0.0828","0.0527","","","0.1418","0.2016","","","","","","1.242","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336209","10.884","","15.726","","14.071","","90","","124","","90","","1996.67","","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H4 Cl8 K4 O23 Zr -","- C24 H4 Cl8 K4 O23 Zr -","- C48 H8 Cl16 K8 O46 Zr2 -","2","0.5","","Inhar Imaz; Georges Mouchaham; Nans Roques; Stéphane Brandès","Tetradihydrobenzoquinonate and Tetrachloranilate Zr(IV) Complexes: Single-Crystal-to-Single-Crystal Phase Transition and Open-Framework Behavior for K4Zr(DBQ)4","Inorganic Chemistry","2013","52","","11237","11243","10.1021/ic401474f","","","0.71073","MoKα","","0.0638","0.0455","","","0.1346","0.1452","","","","","","1.093","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336210","11.2405","0.0015","22.33","0.003","14.758","0.002","90","","94.6604","0.0016","90","","3692","0.9","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cl2 N3 Ta -","- C18 H22 Cl2 N3 Ta -","- C144 H176 Cl16 N24 Ta8 -","8","2","","Rui F. Munhá; Ryan A. Zarkesh; Alan F. Heyduk","Tuning the Electronic and Steric Parameters of a Redox-Active Tris(amido) Ligand","Inorganic Chemistry","2013","52","","11244","11255","10.1021/ic401496w","","","0.71073","MoKα","","0.0342","0.0271","","","0.0558","0.0577","","","","","","1.096","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336211","7.4773","0.0004","11.8614","0.0006","12.6098","0.0007","76.4926","0.0005","81.4203","0.0006","87.9507","0.0006","1075.27","0.1","88","2","88","2","","","","","","","","6","P -1","-P 1","2","","","","- C21.5 H24 Cl2 F2 N3 Ta -","- C21.5 H24 Cl2 F2 N3 Ta -","- C43 H48 Cl4 F4 N6 Ta2 -","2","1","","Rui F. Munhá; Ryan A. Zarkesh; Alan F. Heyduk","Tuning the Electronic and Steric Parameters of a Redox-Active Tris(amido) Ligand","Inorganic Chemistry","2013","52","","11244","11255","10.1021/ic401496w","","","0.71073","MoKα","","0.0153","0.0144","","","0.0354","0.0358","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336212","22.2922","0.001","19.3663","0.0009","12.6188","0.0006","90","","95.5609","0.0005","90","","5422.1","0.4","88","2","88","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 Cl2 N3 Ta -","- C26 H38 Cl2 N3 Ta -","- C208 H304 Cl16 N24 Ta8 -","8","1","","Rui F. Munhá; Ryan A. Zarkesh; Alan F. Heyduk","Tuning the Electronic and Steric Parameters of a Redox-Active Tris(amido) Ligand","Inorganic Chemistry","2013","52","","11244","11255","10.1021/ic401496w","","","0.71073","MoKα","","0.0156","0.0146","","","0.0344","0.0348","","","","","","1.036","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336213","9.5476","0.0007","12.9593","0.0009","14.6178","0.001","82.2726","0.0008","84.9424","0.0008","81.0999","0.0008","1766.5","0.2","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H47 Cl2 N4 Ta -","- C37 H47 Cl2 N4 Ta -","- C74 H94 Cl4 N8 Ta2 -","2","1","","Rui F. Munhá; Ryan A. Zarkesh; Alan F. Heyduk","Tuning the Electronic and Steric Parameters of a Redox-Active Tris(amido) Ligand","Inorganic Chemistry","2013","52","","11244","11255","10.1021/ic401496w","","","0.71073","MoKα","","0.0283","0.024","","","0.0581","0.0593","","","","","","1.066","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336214","10.9766","0.0007","13.0697","0.0009","19.1327","0.0013","108.961","0.001","101.47","0.001","91.271","0.001","2532.8","0.3","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C54.5 H63 Cl2 N4 O2 Ta -","- C54.5 H63 Cl2 N4 O2 Ta -","- C109 H126 Cl4 N8 O4 Ta2 -","2","1","","Rui F. Munhá; Ryan A. Zarkesh; Alan F. Heyduk","Tuning the Electronic and Steric Parameters of a Redox-Active Tris(amido) Ligand","Inorganic Chemistry","2013","52","","11244","11255","10.1021/ic401496w","","","0.71073","MoKα","","0.0302","0.0259","","","0.0629","0.0648","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336215","9.8131","0.0006","10.6877","0.0006","23.9902","0.0014","90","","90","","90","","2516.1","0.3","143","2","143","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H32 Cl2 N3 Ta -","- C26 H32 Cl2 N3 Ta -","- C104 H128 Cl8 N12 Ta4 -","4","0.5","","Rui F. Munhá; Ryan A. Zarkesh; Alan F. Heyduk","Tuning the Electronic and Steric Parameters of a Redox-Active Tris(amido) Ligand","Inorganic Chemistry","2013","52","","11244","11255","10.1021/ic401496w","","","0.71073","MoKα","","0.0217","0.0205","","","0.0522","0.0529","","","","","","1.123","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336216","15.8487","0.0008","15.9239","0.0008","25.91","0.0014","90","","90","","90","","6539","0.6","143","2","143","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H40 Cl2 N3 O3 Ta -","- C34 H40 Cl2 N3 O3 Ta -","- C272 H320 Cl16 N24 O24 Ta8 -","8","1","","Rui F. Munhá; Ryan A. Zarkesh; Alan F. Heyduk","Tuning the Electronic and Steric Parameters of a Redox-Active Tris(amido) Ligand","Inorganic Chemistry","2013","52","","11244","11255","10.1021/ic401496w","","","0.71073","MoKα","","0.0468","0.0263","","","0.052","0.0584","","","","","","1.005","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336217","7.9327","0.0005","22.8472","0.0015","19.0689","0.0013","90","","92.021","0.001","90","","3453.9","0.4","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H38 Cl3 N3 O2 Ta -","- C37 H38 Cl3 N3 O2 Ta -","- C148 H152 Cl12 N12 O8 Ta4 -","4","1","","Rui F. Munhá; Ryan A. Zarkesh; Alan F. Heyduk","Tuning the Electronic and Steric Parameters of a Redox-Active Tris(amido) Ligand","Inorganic Chemistry","2013","52","","11244","11255","10.1021/ic401496w","","","0.71073","MoKα","","0.0464","0.0362","","","0.0836","0.0876","","","","","","1.074","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336218","17.9045","0.0001","18.0268","0.0002","18.44","0.0001","90","","90","","90","","5951.71","0.08","200","","200","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C51 H42 Cl2 Ir8 Mo2 O20 -","- C51 H42 Cl2 Ir8 Mo2 O20 -","- C204 H168 Cl8 Ir32 Mo8 O80 -","4","0.5","","Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey","Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)","Inorganic Chemistry","2013","52","","11256","11268","10.1021/ic401502f","","","0.71073","MoKα","","0.0393","0.0252","","0.0799","0.0634","0.0799","","","","","","0.9484","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336219","17.8454","0.0002","17.926","0.0004","18.4031","0.0003","90","","90","","90","","5887.09","0.18","200","","200","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H20 Ir4 O10 W -","- C25 H20 Ir4 O10 W -","- C200 H160 Ir32 O80 W8 -","8","1","","Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey","Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)","Inorganic Chemistry","2013","52","","11256","11268","10.1021/ic401502f","","","0.71073","MoKα","","0.0778","0.0445","","0.1459","0.1074","0.1459","","","","","","1.0163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336220","16.758","0.003","8.9608","0.0018","19.322","0.004","90","","109.06","0.03","90","","2742.4","1.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Ir4 Mo O10 -","- C24 H18 Ir4 Mo O10 -","- C96 H72 Ir16 Mo4 O40 -","4","1","","Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey","Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)","Inorganic Chemistry","2013","52","","11256","11268","10.1021/ic401502f","","","0.71073","MoKα","","0.0353","0.0231","","","0.0529","0.0766","","","","","","1.172","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336221","16.7438","0.0003","8.9574","0.0001","19.3271","0.0003","90","","109.079","0.0008","90","","2739.46","0.07","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Ir4 O10 W -","- C24 H18 Ir4 O10 W -","- C96 H72 Ir16 O40 W4 -","4","1","","Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey","Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)","Inorganic Chemistry","2013","52","","11256","11268","10.1021/ic401502f","","","0.71073","MoKα","","0.0405","0.0289","","0.0659","0.0626","0.0659","","","","","","0.9763","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336222","11.0021","0.0003","18.1098","0.0005","16.2304","0.0004","90","","99.3334","0.0015","90","","3191.03","0.15","200","","200","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Ir4 Mo O9 -","- C29 H30 Ir4 Mo O9 -","- C116 H120 Ir16 Mo4 O36 -","4","1","","Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey","Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)","Inorganic Chemistry","2013","52","","11256","11268","10.1021/ic401502f","","","0.71073","MoKα","","0.0525","0.0342","","0.0895","0.0761","0.0895","","","","","","0.9366","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336223","10.645","0.0002","12.4173","0.0002","26.4766","0.0004","90","","90","","90","","3499.73","0.1","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 Cl3 Ir3 Mo2 O9 -","- C30 H26 Cl3 Ir3 Mo2 O9 -","- C120 H104 Cl12 Ir12 Mo8 O36 -","4","1","","Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey","Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)","Inorganic Chemistry","2013","52","","11256","11268","10.1021/ic401502f","","","0.71073","MoKα","","0.0423","0.0337","","0.0745","0.0708","0.0745","","","","","","0.9848","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336224","14.182","0.003","11.484","0.002","19.03","0.004","90","","91.18","0.03","90","","3098.7","1.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Ir3 O9 W2 -","- C29 H25 Ir3 O9 W2 -","- C116 H100 Ir12 O36 W8 -","4","1","","Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey","Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)","Inorganic Chemistry","2013","52","","11256","11268","10.1021/ic401502f","","","0.71073","MoKα","","0.062","0.0494","","","0.1259","0.145","","","","","","1.145","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336225","10.0292","0.0011","20.408","0.002","13.8617","0.0016","90","","93.595","0.004","90","","2831.6","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 Ir3 Mo2 O9 -","- C28 H23 Ir3 Mo2 O9 -","- C112 H92 Ir12 Mo8 O36 -","4","1","","Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey","Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)","Inorganic Chemistry","2013","52","","11256","11268","10.1021/ic401502f","","","0.71073","MoKα","","0.0422","0.0308","","","0.0768","0.1043","","","","","","1.178","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336226","18.117","0.004","9.2527","0.0019","35.923","0.007","90","","94.42","0.03","90","","6004","2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H23 Ir3 O9 W2 -","- C28 H23 Ir3 O9 W2 -","- C224 H184 Ir24 O72 W16 -","8","1","","Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey","Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)","Inorganic Chemistry","2013","52","","11256","11268","10.1021/ic401502f","","","0.71073","MoKα","","0.0564","0.0418","","","0.1061","0.1133","","","","","","1.054","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336227","10.553","0.002","16.679","0.003","16.864","0.003","90","","103.83","0.03","90","","2882.2","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H23 Ir3 O9 W2 -","- C28 H23 Ir3 O9 W2 -","- C112 H92 Ir12 O36 W8 -","4","1","","Michael D. Randles; Peter V. Simpson; Vivek Gupta; Junhong Fu; Graeme J. Moxey; Torsten Schwich; Alan L. Criddle; Simon Petrie; Jonathan G. MacLellan; Stuart R. Batten; Robert Stranger; Marie P. Cifuentes; Mark G. Humphrey","Syntheses of Pentanuclear Group 6 Iridium Clusters by Core Expansion of Tetranuclear Clusters with Ir(CO)2(η5-C5Me4R) (R = H, Me)","Inorganic Chemistry","2013","52","","11256","11268","10.1021/ic401502f","","","0.71073","MoKα","","0.0679","0.0571","","","0.1413","0.1483","","","","","","1.053","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336228","10.1896","0.0007","13.0973","0.0009","15.0671","0.0009","83.077","0.004","86.035","0.004","76.838","0.004","1941.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H38 N4 O2 -","- C53 H38 N4 O2 -","- C106 H76 N8 O4 -","2","1","","Yu-Cheng Wang; Jyh-Horung Chen; Shin-Shin Wang; Jo-Yu Tung","Unusual Inner C-Alkylation of 2-N-Substituted N-Confused Porphyrin Cobalt Complexes in Toluene and p-Xylene","Inorganic Chemistry","2013","52","","10711","10713","10.1021/ic401507d","","x-ray","0.71073","MoKα","","0.0936","0.0559","","","0.1453","0.1761","","","","","","1.027","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336229","16.9416","0.0009","14.6567","0.0008","18.167","0.0008","90","","97.735","0.002","90","","4470","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H43 Cl Co N4 O2 -","- C60 H43 Cl Co N4 O2 -","- C240 H172 Cl4 Co4 N16 O8 -","4","1","","Yu-Cheng Wang; Jyh-Horung Chen; Shin-Shin Wang; Jo-Yu Tung","Unusual Inner C-Alkylation of 2-N-Substituted N-Confused Porphyrin Cobalt Complexes in Toluene and p-Xylene","Inorganic Chemistry","2013","52","","10711","10713","10.1021/ic401507d","","x-ray","0.71073","MoKα","","0.0853","0.054","","","0.1384","0.1667","","","","","","1.045","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336230","17.04","0.0005","15.1258","0.001","18.4773","0.0007","90","","99.081","0.003","90","","4702.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H45 Cl Co N4 O2 -","- C61 H45 Cl Co N4 O2 -","- C244 H180 Cl4 Co4 N16 O8 -","4","1","","Yu-Cheng Wang; Jyh-Horung Chen; Shin-Shin Wang; Jo-Yu Tung","Unusual Inner C-Alkylation of 2-N-Substituted N-Confused Porphyrin Cobalt Complexes in Toluene and p-Xylene","Inorganic Chemistry","2013","52","","10711","10713","10.1021/ic401507d","","x-ray","0.71073","MoKα","","0.1508","0.0717","","","0.1404","0.1758","","","","","","1.024","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336231","6.10957","0.00003","6.10957","0.00003","6.10957","0.00003","90","","90","","90","","228.051","0.0019","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","lithium antimony telluride","lithium antimony telluride","","- Li0.5 Sb0.5 Te -","- Li0.5 Sb0.5 Te -","- Li2 Sb2 Te4 -","4","0.0208333","","Thorsten Schröder; Stefan Schwarzmüller; Christian Stiewe; Johannes de Boor; Markus Hölzel; Oliver Oeckler","The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2","Inorganic Chemistry","2013","52","","11288","11294","10.1021/ic401516m","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","","","0.02418","","0.92","","","","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336232","6.06904","0.00007","6.06904","0.00007","6.06904","0.00007","90","","90","","90","","223.542","0.004","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","germanium lithium antimony telluride","germanium lithium antimony telluride","","- Ge0.2 Li0.4 Sb0.4 Te -","- Ge0.2 Li0.4 Sb0.4 Te -","- Ge0.8 Li1.6 Sb1.6 Te4 -","4","0.0208333","","Thorsten Schröder; Stefan Schwarzmüller; Christian Stiewe; Johannes de Boor; Markus Hölzel; Oliver Oeckler","The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2","Inorganic Chemistry","2013","52","","11288","11294","10.1021/ic401516m","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","","","0.01329","","0.973","","","","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336233","6.05354","0.00004","6.05354","0.00004","6.05354","0.00004","90","","90","","90","","221.834","0.003","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","germanium lithium antimony telluride","germanium lithium antimony telluride","","- Ge0.33 Li0.33 Sb0.33 Te -","- Ge0.3328 Li0.333333 Sb0.333333 Te -","- Ge1.3312 Li1.33333 Sb1.33333 Te4 -","4","0.0208333","","Thorsten Schröder; Stefan Schwarzmüller; Christian Stiewe; Johannes de Boor; Markus Hölzel; Oliver Oeckler","The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2","Inorganic Chemistry","2013","52","","11288","11294","10.1021/ic401516m","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","","","0.026725","","0.886","","","","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336234","6.03207","0.00006","6.03207","0.00006","6.03207","0.00006","90","","90","","90","","219.482","0.004","293","2","293","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","germanium lithium antimony telluride","germanium lithium antimony telluride","","- Ge0.429 Li0.286 Sb0.286 Te -","- Ge0.4278 Li0.285714 Sb0.285714 Te -","- Ge1.7112 Li1.14286 Sb1.14286 Te4 -","4","0.0208333","","Thorsten Schröder; Stefan Schwarzmüller; Christian Stiewe; Johannes de Boor; Markus Hölzel; Oliver Oeckler","The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2","Inorganic Chemistry","2013","52","","11288","11294","10.1021/ic401516m","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","","","0.03465","","1.375","","","","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336235","4.2459","0.00007","4.2459","0.00007","10.4382","0.0002","90","","90","","120","","162.966","0.005","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","germanium lithium antimony telluride","germanium lithium antimony telluride","","- Ge0.6 Li0.2 Sb0.2 Te -","- Ge0.6 Li0.2 Sb0.2 Te -","- Ge1.8 Li0.6 Sb0.6 Te3 -","3","0.166667","","Thorsten Schröder; Stefan Schwarzmüller; Christian Stiewe; Johannes de Boor; Markus Hölzel; Oliver Oeckler","The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2","Inorganic Chemistry","2013","52","","11288","11294","10.1021/ic401516m","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","","","0.01625","","1.163","","","","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336236","4.2029","0.00006","4.2029","0.00006","10.536","0.0002","90","","90","","120","","161.178","0.004","293","2","293","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","germanium lithium antimony telluride","germanium lithium antimony telluride","","- Ge0.733 Li0.133 Sb0.133 Te -","- Ge0.733333 Li0.133333 Sb0.133333 Te -","- Ge2.2 Li0.4 Sb0.4 Te3 -","3","0.166667","","Thorsten Schröder; Stefan Schwarzmüller; Christian Stiewe; Johannes de Boor; Markus Hölzel; Oliver Oeckler","The Solid Solution Series (GeTe)x(LiSbTe2)2 (1 <=x<= 11) and the Thermoelectric Properties of (GeTe)11(LiSbTe2)2","Inorganic Chemistry","2013","52","","11288","11294","10.1021/ic401516m","powder diffraction","x-ray","1.54051","CuKα~1~","","","","","","","","0.03165","","0.876","","","","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336237","8.85709","0.00018","10.5712","0.0002","10.0588","0.0002","90","","91.029","0.0018","90","","941.65","0.03","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","tetraethylammonium 12-cyano-1-carba-closo-dodecaborate (Et4NCB11H11CN)","","- C10 H31 B11 N2 -","- C10 H31 B11 N2 -","- C20 H62 B22 N4 -","2","1","","Aaron J. Rosenbaum; Douglas H. Juers; Marcus A. Juhasz","Copper-Promoted Cyanation of a Boron Cluster: Synthesis, X-ray Structure, and Reactivity of 12-CN-closo-CHB11H10-","Inorganic Chemistry","2013","52","","10717","10719","10.1021/ic4015306","","","1.5418","CuKα","","0.0577","0.0503","","","","0.1446","","","","","","0.9778","","","","has coordinates,has Fobs","179465","2020-10-21","18:00:00",""
"4336238","10.98","0.005","14.83","0.007","22.891","0.01","107.17","0.02","91.043","0.019","108.937","0.014","3342","3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H61 Cl4 Co2 Ge2 N3 O -","- C77 H61 Cl4 Co2 Ge2 N3 O -","- C154 H122 Cl8 Co4 Ge4 N6 O2 -","2","1","","Eleanor Magdzinski; Pierangelo Gobbo; Mark S. Workentin; Paul J. Ragogna","A Novel Diiminopyridine Ligand Containing Redox Active Co(III) Mixed Sandwich Complexes","Inorganic Chemistry","2013","52","","11311","11319","10.1021/ic401598e","","","0.71073","MoKα","","0.0946","0.0601","","","0.1275","0.1433","","","","","","1.083","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336239","13.035","0.002","15.667","0.004","16.661","0.005","74.26","0.012","78.5","0.008","77.023","0.015","3156.3","1.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H55 Cl6 Co2 N3 Sn2 -","- C74 H55 Cl6.0058 Co2 N3 Sn2 -","- C148 H110 Cl12.0116 Co4 N6 Sn4 -","2","1","","Eleanor Magdzinski; Pierangelo Gobbo; Mark S. Workentin; Paul J. Ragogna","A Novel Diiminopyridine Ligand Containing Redox Active Co(III) Mixed Sandwich Complexes","Inorganic Chemistry","2013","52","","11311","11319","10.1021/ic401598e","","","0.71073","MoKα","","0.0947","0.0491","","","0.1243","0.1449","","","","","","1.064","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336240","12.791","0.007","28.663","0.016","7.87","0.004","90","","104.543","0.013","90","","2793","3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Cl4 Fe2 Ge2 N3 -","- C27 H23 Cl4 Fe2 Ge2 N3 -","- C108 H92 Cl16 Fe8 Ge8 N12 -","4","1","","Eleanor Magdzinski; Pierangelo Gobbo; Mark S. Workentin; Paul J. Ragogna","A Novel Diiminopyridine Ligand Containing Redox Active Co(III) Mixed Sandwich Complexes","Inorganic Chemistry","2013","52","","11311","11319","10.1021/ic401598e","","","0.71073","MoKα","","0.0899","0.0442","","","0.0837","0.0982","","","","","","1.002","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336241","13.383","0.005","7.448","0.003","29.974","0.011","90","","96.22","0.004","90","","2970","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Cl4 Fe2 N3 Sn2 -","- C27 H23 Cl4 Fe2 N3 Sn2 -","- C108 H92 Cl16 Fe8 N12 Sn8 -","4","1","","Eleanor Magdzinski; Pierangelo Gobbo; Mark S. Workentin; Paul J. Ragogna","A Novel Diiminopyridine Ligand Containing Redox Active Co(III) Mixed Sandwich Complexes","Inorganic Chemistry","2013","52","","11311","11319","10.1021/ic401598e","","","0.71073","MoKα","","0.0629","0.038","","","0.0809","0.0922","","","","","","1.028","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336242","9.824","0.002","15.179","0.003","23.333","0.006","90","","90","","90","","3479.4","1.3","90","2","90","2","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","- C36 H31 B Cl F4 N2 O2 P Ru S -","- C36 H31 B Cl F4 N2 O2 P Ru S -","- C144 H124 B4 Cl4 F16 N8 O8 P4 Ru4 S4 -","4","1","","Margarita A. Gonzalez; Samantha J. Carrington; Indranil Chakraborty; Marilyn M. Olmstead; Pradip K. Mascharak","Photoactivity of Mono- and Dicarbonyl Complexes of Ruthenium(II) Bearing an N,N,S-Donor Ligand: Role of Ancillary Ligands on the Capacity of CO Photorelease","Inorganic Chemistry","2013","52","","11320","11331","10.1021/ic4016004","","","0.71073","MoKα","","0.0321","0.0291","","","0.0689","0.0711","","","","","","1.149","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336243","13.8529","0.0006","9.3341","0.0004","16.2461","0.0007","90","","95.685","0.001","90","","2090.36","0.16","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl2 N2 O6 Ru S -","- C19 H14 Cl2 N2 O6 Ru S -","- C76 H56 Cl8 N8 O24 Ru4 S4 -","4","1","","Margarita A. Gonzalez; Samantha J. Carrington; Indranil Chakraborty; Marilyn M. Olmstead; Pradip K. Mascharak","Photoactivity of Mono- and Dicarbonyl Complexes of Ruthenium(II) Bearing an N,N,S-Donor Ligand: Role of Ancillary Ligands on the Capacity of CO Photorelease","Inorganic Chemistry","2013","52","","11320","11331","10.1021/ic4016004","","","0.71073","MoKα","","0.051","0.0326","","","0.0697","0.0779","","","","","","1.041","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336244","11.4409","0.0018","11.936","0.002","16.993","0.003","79.84","0.02","84.16","0.02","70.16","0.02","2146.4","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H35 Cl2 N4 O8 P Ru S -","- C39 H35 Cl2 N4 O8 P Ru S -","- C78 H70 Cl4 N8 O16 P2 Ru2 S2 -","2","1","","Margarita A. Gonzalez; Samantha J. Carrington; Indranil Chakraborty; Marilyn M. Olmstead; Pradip K. Mascharak","Photoactivity of Mono- and Dicarbonyl Complexes of Ruthenium(II) Bearing an N,N,S-Donor Ligand: Role of Ancillary Ligands on the Capacity of CO Photorelease","Inorganic Chemistry","2013","52","","11320","11331","10.1021/ic4016004","","","0.71073","MoKα","","0.094","0.0641","","","0.1889","0.2072","","","","","","1.114","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336245","11.55","0.003","34.84","0.009","25.912","0.006","90","","110.65","0.01","90","","9757","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C88 H88 F12 Fe2 N6 O3 P6 Ru -","- C88 H88 F12 Fe2 N6 O3 P6 Ru -","- C352 H352 F48 Fe8 N24 O12 P24 Ru4 -","4","1","","Xiao Ma; Sheng-Min Hu; Chun-Hong Tan; Yong-Fan Zhang; Xu-Dong Zhang; Tian-Lu Sheng; Xin-Tao Wu","From Antiferromagnetic to Ferromagnetic Interaction in Cyanido-Bridged Fe(III)-Ru(II)-Fe(III) Complexes by Change of the Central Diamagnetic Cyanido-Metal Geometry","Inorganic Chemistry","2013","52","","11343","11350","10.1021/ic401604q","","","0.71073","MoKα","","0.1106","0.0783","","","0.2125","0.2427","","","","","","1.053","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336246","17.1451","0.001","20.7344","0.0012","29.012","0.002","90","","97.44","0.004","90","","10226.7","1.1","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 F24 Fe2 N6 O3 P8 Ru -","- C84 H80 F24 Fe2 N6 O3 P8 Ru -","- C336 H320 F96 Fe8 N24 O12 P32 Ru4 -","4","1","","Xiao Ma; Sheng-Min Hu; Chun-Hong Tan; Yong-Fan Zhang; Xu-Dong Zhang; Tian-Lu Sheng; Xin-Tao Wu","From Antiferromagnetic to Ferromagnetic Interaction in Cyanido-Bridged Fe(III)-Ru(II)-Fe(III) Complexes by Change of the Central Diamagnetic Cyanido-Metal Geometry","Inorganic Chemistry","2013","52","","11343","11350","10.1021/ic401604q","","","0.71073","MoKα","","0.0748","0.0609","","","0.1729","0.191","","","","","","1.068","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336247","19.325","0.008","15.251","0.006","27.224","0.015","90","","94.316","0.01","90","","8001","6","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C84 H74 F12 Fe2 N6 O0 P6 Ru -","- C84 H74 F12 Fe2 N6 P6 Ru -","- C336 H296 F48 Fe8 N24 P24 Ru4 -","4","0.5","","Xiao Ma; Sheng-Min Hu; Chun-Hong Tan; Yong-Fan Zhang; Xu-Dong Zhang; Tian-Lu Sheng; Xin-Tao Wu","From Antiferromagnetic to Ferromagnetic Interaction in Cyanido-Bridged Fe(III)-Ru(II)-Fe(III) Complexes by Change of the Central Diamagnetic Cyanido-Metal Geometry","Inorganic Chemistry","2013","52","","11343","11350","10.1021/ic401604q","","","0.71073","MoKα","","0.114","0.086","","","0.2138","0.2399","","","","","","1.059","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336248","13.166","0.0009","30.941","0.003","24.9786","0.0019","90","","90","","90","","10175.5","1.4","293","2","293","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C92 H90 F24 Fe2 N10 O2 P8 Ru -","- C92 H90 F24 Fe2 N10 O2 P8 Ru -","- C368 H360 F96 Fe8 N40 O8 P32 Ru4 -","4","0.5","","Xiao Ma; Sheng-Min Hu; Chun-Hong Tan; Yong-Fan Zhang; Xu-Dong Zhang; Tian-Lu Sheng; Xin-Tao Wu","From Antiferromagnetic to Ferromagnetic Interaction in Cyanido-Bridged Fe(III)-Ru(II)-Fe(III) Complexes by Change of the Central Diamagnetic Cyanido-Metal Geometry","Inorganic Chemistry","2013","52","","11343","11350","10.1021/ic401604q","","","0.71073","MoKα","","0.0875","0.0769","","","0.2048","0.2244","","","","","","1.034","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336249","16.1914","0.0004","12.457","0.0003","11.531","0.0003","90","","107.469","0.001","90","","2218.49","0.1","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 F3 Ir N O4 S -","- C22 H25 F3 Ir N O4 S -","- C88 H100 F12 Ir4 N4 O16 S4 -","4","1","","Christopher R. Turlington; Daniel P. Harrison; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Probing the Oxidation Chemistry of Half-Sandwich Iridium Complexes with Oxygen Atom Transfer Reagents","Inorganic Chemistry","2013","52","","11351","11360","10.1021/ic4016405","","","1.54184","CuKα","","0.0358","0.0311","","","0.0787","0.0819","","","","","","1.096","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336250","8.5002","0.0002","24.2243","0.0005","12.2503","0.0002","90","","101.345","0.001","90","","2473.19","0.09","100","","100","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C43 H46 Ag F3 Ir2 N2 O3 S -","- C43 H46 Ag F3 Ir2 N2 O3 S -","- C86 H92 Ag2 F6 Ir4 N4 O6 S2 -","2","1","","Christopher R. Turlington; Daniel P. Harrison; Peter S. White; Maurice Brookhart; Joseph L. Templeton","Probing the Oxidation Chemistry of Half-Sandwich Iridium Complexes with Oxygen Atom Transfer Reagents","Inorganic Chemistry","2013","52","","11351","11360","10.1021/ic4016405","","","1.54184","CuKα","","0.036109","0.035448","","","","0.094271","","","","","","1.04332","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336251","26.9011","0.0008","7.0929","0.0001","19.2003","0.0005","90","","110.89","0.002","90","","3422.73","0.15","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- As4 Bi2 Cs6 S16 -","- As4 Bi2.007 Cs6 S16 -","- As16 Bi8.028 Cs24 S64 -","4","1","","Tarun K. Bera; Ratnasabapathy G. Iyer; Christos D. Malliakas; Mercouri G. Kanatzidis","Crystalline and Glassy Phases in the Cs/Bi/As/S System","Inorganic Chemistry","2013","52","","11370","11376","10.1021/ic4016542","","","0.71069","MoKα","","0.0429","0.0389","","","0.0838","0.0855","","","","","","1.058","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336252","9.665","0.003","7.152","0.002","25.365","0.008","90","","90","","90","","1753.3","0.9","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As2 Bi Cs3 S8 -","- As2 Bi Cs3 S8 -","- As8 Bi4 Cs12 S32 -","4","0.5","","Tarun K. Bera; Ratnasabapathy G. Iyer; Christos D. Malliakas; Mercouri G. Kanatzidis","Crystalline and Glassy Phases in the Cs/Bi/As/S System","Inorganic Chemistry","2013","52","","11370","11376","10.1021/ic4016542","","","0.71073","MoKα","","0.0633","0.0342","","","0.0696","0.0784","","","","","","1.011","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336253","16.482","0.009","8.947","0.005","16.645","0.009","90","","114.337","0.006","90","","2236","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B3 Br3 O13 Pb10 -","- B3 Br3 O13 Pb10 -","- B12 Br12 O52 Pb40 -","4","0.5","","Lingyun Dong; Shilie Pan; Ying Wang; Hongwei Yu; Xiaoyu Dong; Shujuan Han; Min Zhang","Special \ιnfty1[OPb2] Chains and \ιnfty1[O2Pb3] Ribbons Based on OPb4 Anion-Centered Tetrahedra in Pb2(O4Pb8)(BO3)3Br3 and Pb2(O8Pb12)(BO3)2Br6","Inorganic Chemistry","2013","52","","11377","11384","10.1021/ic401655h","","","0.71073","MoKα","","0.061","0.0395","","","0.0741","0.0819","","","","","","0.995","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336254","16.197","0.002","8.9284","0.0014","21.278","0.003","90","","97.882","0.009","90","","3048","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B2 Br6 O14 Pb14 -","- B2 Br6 O14 Pb14 -","- B8 Br24 O56 Pb56 -","4","0.5","","Lingyun Dong; Shilie Pan; Ying Wang; Hongwei Yu; Xiaoyu Dong; Shujuan Han; Min Zhang","Special \ιnfty1[OPb2] Chains and \ιnfty1[O2Pb3] Ribbons Based on OPb4 Anion-Centered Tetrahedra in Pb2(O4Pb8)(BO3)3Br3 and Pb2(O8Pb12)(BO3)2Br6","Inorganic Chemistry","2013","52","","11377","11384","10.1021/ic401655h","","","0.71073","MoKα","","0.0594","0.0433","","","0.1125","0.1211","","","","","","1.053","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336255","15.8354","0.0005","17.5204","0.0006","11.4998","0.0003","90","","90","","90","","3190.53","0.17","290","2","290","2","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C62 H50 Fe2 N22 O5 Zn3 -","- C62 H50 Fe2 N22 O5 Zn3 -","- C124 H100 Fe4 N44 O10 Zn6 -","2","0.25","","Arpan Hazra; Satyanarayana Bonakala; Sandeep K. Reddy; Sundaram Balasubramanian; Tapas Kumar Maji","Effect of Pillar Modules and Their Stoichiometry in 3D Porous Frameworks of Zn(II) with [Fe(CN)6]3-: High CO2/N2 and CO2/CH4 Selectivity","Inorganic Chemistry","2013","52","","11385","11397","10.1021/ic401657d","","","0.71073","MoKα","","0.0749","0.0415","","","0.0827","0.0967","","","","","","1.026","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336256","13.4237","0.0018","20.496","0.002","23.57","0.004","90","","98.472","0.007","90","","6414.1","1.5","290","2","290","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Fe2 N14 O2 Zn3 -","- C24 H16 Fe2 N14 O2 Zn3 -","- C192 H128 Fe16 N112 O16 Zn24 -","8","1","","Arpan Hazra; Satyanarayana Bonakala; Sandeep K. Reddy; Sundaram Balasubramanian; Tapas Kumar Maji","Effect of Pillar Modules and Their Stoichiometry in 3D Porous Frameworks of Zn(II) with [Fe(CN)6]3-: High CO2/N2 and CO2/CH4 Selectivity","Inorganic Chemistry","2013","52","","11385","11397","10.1021/ic401657d","","","0.71073","MoKα","","0.1806","0.0742","","","0.1551","0.2108","","","","","","0.989","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336257","23.168","0.0017","7.5344","0.0005","13.4973","0.0009","90","","99.799","0.005","90","","2321.7","0.3","290","2","290","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C32 H24 Fe2 N20 O6 Zn3 -","- C32 H24 Fe2 N20 O6 Zn3 -","- C64 H48 Fe4 N40 O12 Zn6 -","2","0.25","","Arpan Hazra; Satyanarayana Bonakala; Sandeep K. Reddy; Sundaram Balasubramanian; Tapas Kumar Maji","Effect of Pillar Modules and Their Stoichiometry in 3D Porous Frameworks of Zn(II) with [Fe(CN)6]3-: High CO2/N2 and CO2/CH4 Selectivity","Inorganic Chemistry","2013","52","","11385","11397","10.1021/ic401657d","","","0.71073","MoKα","","0.1404","0.064","","","0.1395","0.176","","","","","","1.023","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336258","11.92684","0.00012","15.87947","0.00019","23.5241","0.0002","102.081","0.0009","94.089","0.0008","107.798","0.001","4104.06","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H91 Cl2 F20 N5 P Pt2 -","- C72 H91 Cl2 F20 N5 P Pt2 -","- C144 H182 Cl4 F40 N10 P2 Pt4 -","2","1","","Andersson Arias; Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Piero Mastrorilli; Vito Gallo; Stefano Todisco","Addition of Nucleophiles to Phosphanido Derivatives of Pt(III): Formation of P-C, P-N, and P-O Bonds","Inorganic Chemistry","2013","52","","11398","11408","10.1021/ic401689c","","","0.71073","MoKα","","0.0511","0.0353","","","0.095","0.0985","","","","","","1.078","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336259","11.9169","0.0005","15.8673","0.0009","23.4522","0.0013","102.329","0.005","94.439","0.004","107.748","0.004","4077.4","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H91 Cl2 F20 N3 O P Pt2 -","- C73 H91 Cl2 F20 N3 O P Pt2 -","- C146 H182 Cl4 F40 N6 O2 P2 Pt4 -","2","1","","Andersson Arias; Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Piero Mastrorilli; Vito Gallo; Stefano Todisco","Addition of Nucleophiles to Phosphanido Derivatives of Pt(III): Formation of P-C, P-N, and P-O Bonds","Inorganic Chemistry","2013","52","","11398","11408","10.1021/ic401689c","","","0.71073","MoKα","","0.1025","0.0456","","","0.0655","0.0704","","","","","","0.921","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336260","17.2854","0.0002","26.4018","0.0002","22.0504","0.0002","90","","111.428","0.001","90","","9367.46","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C101 H86 F20 N2 O4 P4 Pt3 -","- C101 H86 F20 N2 O4 P4 Pt3 -","- C404 H344 F80 N8 O16 P16 Pt12 -","4","1","","Andersson Arias; Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Piero Mastrorilli; Vito Gallo; Stefano Todisco","Addition of Nucleophiles to Phosphanido Derivatives of Pt(III): Formation of P-C, P-N, and P-O Bonds","Inorganic Chemistry","2013","52","","11398","11408","10.1021/ic401689c","","","0.71073","MoKα","","0.0629","0.03","","","0.0387","0.0409","","","","","","0.85","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336261","13.8959","0.0004","20.0988","0.0005","32.2459","0.001","90","","90.933","0.003","90","","9004.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H78 F20 N O P5 Pt3 -","- C100 H78 F20 N O P5 Pt3 -","- C400 H312 F80 N4 O4 P20 Pt12 -","4","1","","Andersson Arias; Juan Forniés; Consuelo Fortuño; Susana Ibáñez; Antonio Martín; Piero Mastrorilli; Vito Gallo; Stefano Todisco","Addition of Nucleophiles to Phosphanido Derivatives of Pt(III): Formation of P-C, P-N, and P-O Bonds","Inorganic Chemistry","2013","52","","11398","11408","10.1021/ic401689c","","","0.71073","MoKα","","0.0514","0.0292","","","0.0504","0.0522","","","","","","1.031","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336262","23.375","0.004","18.692","0.003","32.329","0.007","90","","117.405","0.003","90","","12540","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H35 Cu6 N0 O33 -","- C51 H22 Cu6 O32.868 -","- C204 H88 Cu24 O131.472 -","4","1","","Zhiqiang Liang; Jingjing Du; Libo Sun; Jin Xu; Ying Mu; Yi Li; Jihong Yu; Ruren Xu","Design and Synthesis of Two Porous Metal-Organic Frameworks with nboandagw Topologies Showing High CO2 Adsorption Capacity","Inorganic Chemistry","2013","52","","10720","10722","10.1021/ic4017189","","","0.71073","MoKα","","0.1587","0.0884","","","0.1943","0.2076","","","","","","1.016","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336263","18.8028","0.0008","18.8028","0.0008","51.883","0.003","90","","90","","120","","15885.5","1.3","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C8.5 H3.5 Cu0.75 O3.75 -","- C8.5 H3.5 Cu0.75 O3.75 -","- C204 H84 Cu18 O90 -","24","1","","Zhiqiang Liang; Jingjing Du; Libo Sun; Jin Xu; Ying Mu; Yi Li; Jihong Yu; Ruren Xu","Design and Synthesis of Two Porous Metal-Organic Frameworks with nboandagw Topologies Showing High CO2 Adsorption Capacity","Inorganic Chemistry","2013","52","","10720","10722","10.1021/ic4017189","","","0.71073","MoKα","","0.2102","0.0816","","","0.264","0.2832","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336264","9.722","0.005","11.116","0.005","20.96","0.005","88.945","0.005","86.593","0.005","70.698","0.005","2134","1.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H37 Cu Mo5 N4 O31 P2 -","- C26 H39 Cu Mo5 N4 O31 P2 -","- C52 H78 Cu2 Mo10 N8 O62 P4 -","2","1","","Xiao-Min Li; Ya-Guang Chen; Chunnian Su; Shi Zhou; Qun Tang; Tian Shi","Functionalized Pentamolybdodiphosphate-Based Inorganic-Organic Hybrids: Synthesis, Structure, and Properties","Inorganic Chemistry","2013","52","","11422","11427","10.1021/ic401726a","","","0.71069","MoKα","","0.0465","0.0416","","","0.098","0.1007","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336265","12.476","0.005","12.715","0.005","20.931","0.005","74.508","0.005","86.133","0.005","76.031","0.005","3105.1","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H47 Co1.5 Mo5 N6 O37 P2 -","- C36 H49 Co1.5 Mo5 N6 O37 P2 -","- C72 H98 Co3 Mo10 N12 O74 P4 -","2","1","","Xiao-Min Li; Ya-Guang Chen; Chunnian Su; Shi Zhou; Qun Tang; Tian Shi","Functionalized Pentamolybdodiphosphate-Based Inorganic-Organic Hybrids: Synthesis, Structure, and Properties","Inorganic Chemistry","2013","52","","11422","11427","10.1021/ic401726a","","","0.71069","MoKα","","0.1508","0.074","","","0.1788","0.2045","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336266","8.3932","0.0002","12.4324","0.0004","11.1965","0.0003","90","","93.938","0.001","90","","1165.57","0.06","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","tetraaquabis(thymine-1-acetato)copper(II) tetrahydrate}","","- C14 H30 Cu N4 O16 -","- C14 H30 Cu N4 O16 -","- C28 H60 Cu2 N8 O32 -","2","0.5","","Pilar Amo-Ochoa; Oscar Castillo; Carlos J. Gómez-García; Khaled Hassanein; Sandeep Verma; Jitendra Kumar; Félix Zamora","Semiconductive and Magnetic One-Dimensional Coordination Polymers of Cu(II) with Modified Nucleobases","Inorganic Chemistry","2013","52","","11428","11437","10.1021/ic401758w","","","1.5418","CuKα","","0.0323","0.0313","","","0.0869","0.0879","","","","","","1.091","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336267","12.946","0.0009","4.5896","0.0003","14.611","0.0012","90","","100.14","0.008","90","","854.58","0.11","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","catena-poly[diaqua(mu-thymine-1-acetato-kO:KO')copper(II)]","","- C14 H18 Cu N4 O10 -","- C14 H18 Cu N4 O10 -","- C28 H36 Cu2 N8 O20 -","2","0.5","","Pilar Amo-Ochoa; Oscar Castillo; Carlos J. Gómez-García; Khaled Hassanein; Sandeep Verma; Jitendra Kumar; Félix Zamora","Semiconductive and Magnetic One-Dimensional Coordination Polymers of Cu(II) with Modified Nucleobases","Inorganic Chemistry","2013","52","","11428","11437","10.1021/ic401758w","","","1.5418","CuKα","","0.0604","0.0547","","","0.164","0.172","","","","","","1.062","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336268","5.567","0.002","12.438","0.007","14.775","0.009","105.241","0.005","100.679","0.004","101.897","0.004","934.3","0.8","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-poly{[diaquabis(mu-hidroxido)tetrakis(Thymine-1-acetato)tricopper(II)] tetrahydrate}","","- C28 H42 Cu3 N8 O24 -","- C28 H42 Cu3 N8 O24 -","- C28 H42 Cu3 N8 O24 -","1","0.5","","Pilar Amo-Ochoa; Oscar Castillo; Carlos J. Gómez-García; Khaled Hassanein; Sandeep Verma; Jitendra Kumar; Félix Zamora","Semiconductive and Magnetic One-Dimensional Coordination Polymers of Cu(II) with Modified Nucleobases","Inorganic Chemistry","2013","52","","11428","11437","10.1021/ic401758w","","","1.5418","CuKα","","0.0528","0.0445","","","0.1237","0.144","","","","","","1.137","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336269","5.355","0.005","15.601","0.006","13.236","0.005","90","","95.998","0.005","90","","1099.7","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cl2 Cu3 N4 O12 -","- C14 H20 Cl2 Cu3 N4 O12 -","- C28 H40 Cl4 Cu6 N8 O24 -","2","0.5","","Pilar Amo-Ochoa; Oscar Castillo; Carlos J. Gómez-García; Khaled Hassanein; Sandeep Verma; Jitendra Kumar; Félix Zamora","Semiconductive and Magnetic One-Dimensional Coordination Polymers of Cu(II) with Modified Nucleobases","Inorganic Chemistry","2013","52","","11428","11437","10.1021/ic401758w","","","0.71073","MoKα","","0.0504","0.0449","","","0.1253","0.1306","","","","","","1.095","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336270","12.919","0.004","15.149","0.004","17.918","0.005","90","","102.207","0.011","90","","3427.4","1.7","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 B Co O3 P2 -","- C41 H34 B Co O3 P2 -","- C164 H136 B4 Co4 O12 P8 -","4","1","","Jonathan W. Dube; Charles L. B. Macdonald; Bobby D. Ellis; Paul J. Ragogna","Synthesis of Zwitterionic Triphosphenium Transition Metal Complexes: A Boron Atom Makes The Difference","Inorganic Chemistry","2013","52","","11438","11449","10.1021/ic401766j","","","0.71073","MoKα","","0.0764","0.0421","","","0.0815","0.0934","","","","","","1.02","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336271","10.024","0.003","10.454","0.004","21.7","0.006","87.834","0.005","83.023","0.005","76.236","0.006","2192.2","1.2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H44 B Cr O6 P3 -","- C47 H44 B Cr O6 P3 -","- C94 H88 B2 Cr2 O12 P6 -","2","1","","Jonathan W. Dube; Charles L. B. Macdonald; Bobby D. Ellis; Paul J. Ragogna","Synthesis of Zwitterionic Triphosphenium Transition Metal Complexes: A Boron Atom Makes The Difference","Inorganic Chemistry","2013","52","","11438","11449","10.1021/ic401766j","","","0.71073","MoKα","","0.0863","0.0485","","","0.1008","0.1156","","","","","","1.035","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336272","9.832","0.004","18.266","0.007","21.777","0.008","90","","98.524","0.012","90","","3868","3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 B Mo O5 P3 -","- C43 H34 B Mo O5 P3 -","- C172 H136 B4 Mo4 O20 P12 -","4","1","","Jonathan W. Dube; Charles L. B. Macdonald; Bobby D. Ellis; Paul J. Ragogna","Synthesis of Zwitterionic Triphosphenium Transition Metal Complexes: A Boron Atom Makes The Difference","Inorganic Chemistry","2013","52","","11438","11449","10.1021/ic401766j","","","0.71073","MoKα","","0.0718","0.0406","","","0.0831","0.0953","","","","","","1.03","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336273","10.049","0.002","10.488","0.003","21.847","0.006","87.999","0.008","83.125","0.009","75.974","0.009","2217.8","1","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H34 B O5 P3 W -","- C43 H34 B O5 P3 W -","- C86 H68 B2 O10 P6 W2 -","2","1","","Jonathan W. Dube; Charles L. B. Macdonald; Bobby D. Ellis; Paul J. Ragogna","Synthesis of Zwitterionic Triphosphenium Transition Metal Complexes: A Boron Atom Makes The Difference","Inorganic Chemistry","2013","52","","11438","11449","10.1021/ic401766j","","","0.71073","MoKα","","0.0354","0.0282","","","0.0613","0.0632","","","","","","1.015","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336274","41.905","0.01","9.3403","0.0016","21.16","0.004","90","","90","","90","","8282","3","110","2","110","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C46 H44 B Fe O5 P3 -","- C46 H44 B Fe O5 P3 -","- C368 H352 B8 Fe8 O40 P24 -","8","1","","Jonathan W. Dube; Charles L. B. Macdonald; Bobby D. Ellis; Paul J. Ragogna","Synthesis of Zwitterionic Triphosphenium Transition Metal Complexes: A Boron Atom Makes The Difference","Inorganic Chemistry","2013","52","","11438","11449","10.1021/ic401766j","","","0.71073","MoKα","","0.0882","0.0459","","","0.0975","0.1141","","","","","","1.009","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336275","12.533","0.004","12.565","0.005","15.562","0.006","70.291","0.013","89.234","0.016","78.154","0.014","2253.8","1.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 B Co2 O7 P3 -","- C48 H44 B Co2 O7 P3 -","- C96 H88 B2 Co4 O14 P6 -","2","1","","Jonathan W. Dube; Charles L. B. Macdonald; Bobby D. Ellis; Paul J. Ragogna","Synthesis of Zwitterionic Triphosphenium Transition Metal Complexes: A Boron Atom Makes The Difference","Inorganic Chemistry","2013","52","","11438","11449","10.1021/ic401766j","","","0.71073","MoKα","","0.0645","0.0387","","","0.0788","0.0887","","","","","","1.036","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336276","9.94","0.004","10.936","0.005","22.352","0.01","101.638","0.016","91.474","0.012","114.719","0.015","2145.1","1.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C45.36 H34.64 B Cl0.64 Cr1.68 O7.05 P3 -","- C45.364 H34 B Cl0.636 Cr1.682 O7.046 P3 -","- C90.728 H68 B2 Cl1.272 Cr3.364 O14.092 P6 -","2","1","","Jonathan W. Dube; Charles L. B. Macdonald; Bobby D. Ellis; Paul J. Ragogna","Synthesis of Zwitterionic Triphosphenium Transition Metal Complexes: A Boron Atom Makes The Difference","Inorganic Chemistry","2013","52","","11438","11449","10.1021/ic401766j","","","0.71073","MoKα","","0.086","0.0584","","","0.1226","0.1312","","","","","","1.18","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336277","9.9925","0.0009","10.9402","0.0011","22.42","0.002","100.615","0.003","91.717","0.003","114.973","0.003","2167.8","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C45.49 H34.52 B Cl0.5 Mo1.74 O7.24 P3 -","- C45.494 H34 B Cl0.503 Mo1.747 O7.241 P3 -","- C90.988 H68 B2 Cl1.006 Mo3.494 O14.482 P6 -","2","1","","Jonathan W. Dube; Charles L. B. Macdonald; Bobby D. Ellis; Paul J. Ragogna","Synthesis of Zwitterionic Triphosphenium Transition Metal Complexes: A Boron Atom Makes The Difference","Inorganic Chemistry","2013","52","","11438","11449","10.1021/ic401766j","","","0.71073","MoKα","","0.0809","0.0573","","","0.1235","0.1331","","","","","","1.143","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336278","8.9646","0.0001","5.126","0.0001","14.4802","0.0002","90","","104.574","0.001","90","","643.992","0.017","298","0.2","298","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- O8 Sc Se2 V -","- O8 Sc Se2 V -","- O32 Sc4 Se8 V4 -","4","1","","Yeong Hun Kim; Dong Woo Lee; Kang Min Ok","α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8: New Quaternary Mixed Metal Oxides Composed of Only Second-Order Jahn-Teller Distortive Cations","Inorganic Chemistry","2013","52","","11450","11456","10.1021/ic401769s","","","0.71073","MoKα","","0.0275","0.02","","","0.0434","0.0477","","","","","","1.036","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336279","6.5904","0.0001","15.9098","0.0003","6.6374","0.0001","90","","92.279","0.001","90","","695.39","0.02","298","0.2","298","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- O8 Sc Se2 V -","- O8 Sc Se2 V -","- O32 Sc4 Se8 V4 -","4","1","","Yeong Hun Kim; Dong Woo Lee; Kang Min Ok","α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8: New Quaternary Mixed Metal Oxides Composed of Only Second-Order Jahn-Teller Distortive Cations","Inorganic Chemistry","2013","52","","11450","11456","10.1021/ic401769s","","","0.71073","MoKα","","0.0637","0.032","","","0.0427","0.0474","","","","","","0.863","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336280","7.9774","0.0002","5.0871","0.0001","16.5654","0.0004","90","","93.4","0.002","90","","671.07","0.03","298","0.2","298","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- O8 Sc Te2 V -","- O8 Sc Te2 V -","- O32 Sc4 Te8 V4 -","4","1","","Yeong Hun Kim; Dong Woo Lee; Kang Min Ok","α-ScVSe2O8, β-ScVSe2O8, and ScVTe2O8: New Quaternary Mixed Metal Oxides Composed of Only Second-Order Jahn-Teller Distortive Cations","Inorganic Chemistry","2013","52","","11450","11456","10.1021/ic401769s","","","0.71073","MoKα","","0.0544","0.0413","","","0.1064","0.1113","","","","","","1.04","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336281","9.3256","0.0004","9.3338","0.0004","17.1117","0.0007","105.682","0.002","102.272","0.002","90.335","0.002","1398.07","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cl4 N4 P4 -","- C24 H20 Cl4 N4 P4 -","- C48 H40 Cl8 N8 P8 -","2","1","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.1079","0.0482","","","0.084","0.0962","","","","","","0.988","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336282","8.7276","0.0004","8.9297","0.0004","10.6603","0.0005","68.479","0.003","81.04","0.003","64.415","0.002","697.1","0.06","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","Triphenylmethylamine","","- C19 H17 N -","- C19 H17 N -","- C38 H34 N2 -","2","1","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0856","0.044","","","0.091","0.1009","","","","","","1.005","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336283","8.8293","0.0005","10.0398","0.0006","19.9325","0.0012","103.431","0.002","95.608","0.002","90.606","0.002","1709.34","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Triphenylmethylamino(dichloro)phosphane","","- C19 H16 Cl2 N P -","- C19 H16 Cl2 N P -","- C76 H64 Cl8 N4 P4 -","4","2","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0616","0.0422","","","0.1096","0.1168","","","","","","1.069","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336284","6.3588","0.001","17.939","0.003","28.954","0.005","90","","95.088","0.007","90","","3289.8","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-trimethylsilyl-2,6-diisopropylphenylaniline","","- C15 H27 N Si -","- C15 H27 N Si -","- C120 H216 N8 Si8 -","8","4","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.1067","0.0646","","","0.1405","0.1535","","","","","","1.031","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336285","10.4992","0.0006","10.5357","0.0006","10.8697","0.0006","71.356","0.003","62.236","0.003","65.318","0.002","954.96","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Triphenylmethylamino-trimethylsilane","","- C22 H25 N Si -","- C22 H25 N Si -","- C44 H50 N2 Si2 -","2","1","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.059","0.0428","","","0.112","0.12","","","","","","1.099","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336286","14.9031","0.0004","16.7323","0.0004","17.0281","0.0004","90","","108.387","0.001","90","","4029.4","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 Cl2 N P Si -","- C21 H20 Cl2 N P Si -","- C168 H160 Cl16 N8 P8 Si8 -","8","2","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0689","0.0469","","","0.1126","0.1198","","","","","","1.037","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336287","16.1703","0.0005","17.8854","0.0005","18.311","0.0005","90","","90","","90","","5295.8","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","N-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-N-(trimethylsilyl)amino- dichlorophosphane","","- C27 H34 Cl2 N P Si -","- C27 H34 Cl2 N P Si -","- C216 H272 Cl16 N8 P8 Si8 -","8","1","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0597","0.0379","","","0.0949","0.1082","","","","","","1.036","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336288","10.2067","0.0008","12.3966","0.001","19.7569","0.0015","90","","101.559","0.004","90","","2449.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(2,4,6-tri-tert.butylphenyl)-N-(trimethylsilyl)amino-dichlorophosphane","","- C21 H38 Cl2 N P Si -","- C21 H38 Cl2 N P Si -","- C84 H152 Cl8 N4 P4 Si4 -","4","1","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0737","0.0407","","","0.0894","0.0978","","","","","","1.028","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336289","13.0246","0.0005","15.6553","0.0006","13.0864","0.0005","90","","91.561","0.002","90","","2667.38","0.18","173","2","173","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","1,3-dichloro-2,4-bis(bis-trimethylsilylamino)-cyclo-1,3-diphospha-2,4-diazane","","- C12 H36 Cl2 N4 P2 Si4 -","- C12 H36 Cl2 N4 P2 Si4 -","- C48 H144 Cl8 N16 P8 Si16 -","4","1","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0759","0.0492","","","0.1237","0.1344","","","","","","1.042","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336290","20.253","0.0016","8.7053","0.0007","13.4567","0.0011","90","","96.091","0.004","90","","2359.1","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1,3-bis(1,1,1,3,3,3-hexafluoro-2-propoxy)-2,4-bis(trimethylsilyl)-cyclo- 1,3-diphospha-2,4-diazane","","- C12 H20 F12 N2 O2 P2 Si2 -","- C12 H20 F12 N2 O2 P2 Si2 -","- C48 H80 F48 N8 O8 P8 Si8 -","4","0.5","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0779","0.0378","","","0.0879","0.0971","","","","","","1.008","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336291","14.33","0.0006","11.8618","0.0005","12.7797","0.0005","90","","110.676","0.002","90","","2032.38","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 Cl2 N2 P2 -","- C20 H30 Cl2 N2 P2 -","- C80 H120 Cl8 N8 P8 -","4","1","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0637","0.0422","","","0.102","0.1149","","","","","","1.035","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336292","14.3494","0.0007","11.8705","0.0006","12.7844","0.0007","90","","110.751","0.003","90","","2036.36","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-dichloro-2,4-di(adamantylamino)-cyclo-1,3-diphospha-2,4-diazane","","- C20 H30 Cl2 N2 P2 -","- C20 H30 Cl2 N2 P2 -","- C80 H120 Cl8 N8 P8 -","4","1","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.1092","0.0497","","","0.0944","0.1093","","","","","","0.938","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336293","21.9363","0.0016","44.948","0.003","8.5007","0.0005","90","","90","","90","","8381.6","1","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","1,3-dichloro-2,4-bis(2,6-bis(2,4,6-trimethylphenyl)phenyl)-cyclo-1,3- diphospha-2,4-diazane","","- C48 H50 Cl2 N2 P2 -","- C48 H50 Cl2 N2 P2 -","- C384 H400 Cl16 N16 P16 -","8","0.5","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.064","0.0525","","","0.1335","0.1386","","","","","","1.069","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336294","9.7403","0.0003","17.414","0.0006","15.9047","0.0005","90","","103.603","0.002","90","","2622.04","0.15","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-dichloro-2,4-bis(2,6-disopropylphenyl)-cyclo-1,3-diphospha-2,4-diazane","","- C24 H34 Cl2 N2 P2 -","- C24 H34 Cl2 N2 P2 -","- C96 H136 Cl8 N8 P8 -","4","2","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0658","0.0483","","","0.096","0.1043","","","","","","1.048","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336295","21.6043","0.0003","8.7995","0.0001","17.6203","0.0003","90","","104.845","0.001","90","","3237.94","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-dichloro-2,4-bis(triphenylmethyl)-cyclo-1,3-diphospha-2,4-diazane","","- C38 H30 Cl2 N2 P2 -","- C38 H30 Cl2 N2 P2 -","- C152 H120 Cl8 N8 P8 -","4","1","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0738","0.0449","","","0.1028","0.1163","","","","","","1.019","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336296","9.915","0.0003","14.6355","0.0004","12.0346","0.0003","90","","90.437","0.002","90","","1746.3","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-dichloro-2,4-bis(triphenylmethyl)-cyclo-1,3-diphospha-2,4-diazane dichloromethane solvate","","- C39 H32 Cl4 N2 P2 -","- C39 H32 Cl4 N2 P2 -","- C78 H64 Cl8 N4 P4 -","2","1","","Axel Schulz; Alexander Villinger; Andrea Westenkirchner","Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes","Inorganic Chemistry","2013","52","","11457","11468","10.1021/ic4017728","","","0.71073","MoKα","","0.0447","0.0326","","","0.0636","0.0665","","","","","","1.034","","","","has coordinates,has disorder","179465","2020-10-21","18:00:00",""
"4336297","20.6966","0.0016","14.2017","0.0011","34.284","0.003","90","","90","","90","","10077","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","rhodium (II) dibenzotetramethylaza[14]annulene","","- C56 H56 N8 Rh2 -","- C56 H56 N8 Rh2 -","- C448 H448 N64 Rh16 -","8","1","","Gregory H. Imler; Michael J. Zdilla; Bradford B. Wayland","Evaluation of the Rh(II)-Rh(II)Bond Dissociation Enthalpy for [(TMTAA)Rh]2 by 1H NMR T2 Measurements: Application in Determining the Rh-C(O)- BDE in [(TMTAA)Rh]2C=O","Inorganic Chemistry","2013","52","","11509","11513","10.1021/ic401778c","","","0.71073","MoKα","","0.0456","0.0356","","","0.0847","0.088","","","","","","1.091","","","","has coordinates","179465","2020-10-21","18:00:00",""
"4336298","14.945","0.002","14.945","0.002","20.484","0.004","90","","90","","120","","3962.2","1.1","100","2","100","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C19 H35 Cl N3 O P Ru -","- C19 H35 Cl N3 O P Ru -","- C114 H210 Cl6 N18 O6 P6 Ru6 -","6","1","","Eran Fogler; Mark A. Iron; Jing Zhang; Yehoshoa Ben-David; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Ru(0) and Ru(II) Nitrosyl Pincer Complexes: Structure, Reactivity, and Catalytic Activity","Inorganic Chemistry","2013","52","","11469","11479","10.1021/ic401780p","","","0.71073","MoKα","","0.064","0.0483","","","0.1173","0.1247","","","","","","0.871","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336299","8.301","0.0001","10.907","0.0001","16.948","0.0002","92.671","0.001","95.323","0.001","106.798","0.001","1458.3","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H70 Cl13 N7 O3 P2 Ru3 -","- C38 H70 Cl13 N7 O3 P2 Ru3 -","- C38 H70 Cl13 N7 O3 P2 Ru3 -","1","0.5","","Eran Fogler; Mark A. Iron; Jing Zhang; Yehoshoa Ben-David; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Ru(0) and Ru(II) Nitrosyl Pincer Complexes: Structure, Reactivity, and Catalytic Activity","Inorganic Chemistry","2013","52","","11469","11479","10.1021/ic401780p","","","0.71073","MoKα","","0.041","0.0332","","","0.0783","0.0819","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336300","13.7611","0.0005","23.5911","0.0007","20.3726","0.0006","90","","97.092","0.002","90","","6563.1","0.4","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C59 H65 B Cl2 F24 N2 O2 P2 Ru -","- C59.001 H65 B Cl2 F24 N2 O2 P2 Ru -","- C236.004 H260 B4 Cl8 F96 N8 O8 P8 Ru4 -","4","1","","Eran Fogler; Mark A. Iron; Jing Zhang; Yehoshoa Ben-David; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Ru(0) and Ru(II) Nitrosyl Pincer Complexes: Structure, Reactivity, and Catalytic Activity","Inorganic Chemistry","2013","52","","11469","11479","10.1021/ic401780p","","","0.71073","MoKα","","0.0982","0.0531","","","0.1259","0.1501","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336301","8.0668","0.0005","12.3986","0.0007","15.5505","0.0008","108.203","0.003","102.593","0.003","92.01","0.003","1432.98","0.15","270","2","270","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H43 B F4 N2 O P2 Ru -","- C23 H43 B F4 N2 O P2 Ru -","- C46 H86 B2 F8 N4 O2 P4 Ru2 -","2","1","","Eran Fogler; Mark A. Iron; Jing Zhang; Yehoshoa Ben-David; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Ru(0) and Ru(II) Nitrosyl Pincer Complexes: Structure, Reactivity, and Catalytic Activity","Inorganic Chemistry","2013","52","","11469","11479","10.1021/ic401780p","","","0.71073","MoKα","","0.0745","0.0485","","","0.1251","0.1443","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336302","11.908","0.002","15.53","0.003","28.001","0.006","90","","90","","90","","5178.3","1.7","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H42 N2 O P2 Ru -","- C23 H42 N2 O P2 Ru -","- C184 H336 N16 O8 P16 Ru8 -","8","1","","Eran Fogler; Mark A. Iron; Jing Zhang; Yehoshoa Ben-David; Yael Diskin-Posner; Gregory Leitus; Linda J. W. Shimon; David Milstein","Ru(0) and Ru(II) Nitrosyl Pincer Complexes: Structure, Reactivity, and Catalytic Activity","Inorganic Chemistry","2013","52","","11469","11479","10.1021/ic401780p","","","0.71073","MoKα","","0.074","0.049","","","0.0978","0.1045","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336303","10.7015","0.00001","15.6611","0.0002","15.8963","0.0002","90","","100.377","0.0008","90","","2620.6","0.05","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 N6 O7 Pb S -","- C21 H30 N6 O7 Pb S -","- C84 H120 N24 O28 Pb4 S4 -","4","1","","Eric S. Elton; Tingting Zhang; Rajeev Prabhakar; Atta M. Arif; Lisa M. Berreau","Pb(II)-Promoted Amide Cleavage: Mechanistic Comparison to a Zn(II) Analogue","Inorganic Chemistry","2013","52","","11480","11492","10.1021/ic401782x","","","0.71073","MoKα","","0.0352","0.0237","","","0.0455","0.0485","","","","","","1.061","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336304","9.0024","0.001","16.1231","0.0017","18.953","0.002","90","","90","","90","","2751","0.5","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H43 Cl3 Ga N -","- C27 H43 Cl3 Ga N -","- C108 H172 Cl12 Ga4 N4 -","4","1","","Ahmad El-Hellani; Julien Monot; Shun Tang; Régis Guillot; Christophe Bour; Vincent Gandon","Relationship between Gallium Pyramidalization in L.GaCl3 Complexes and the Electronic Ligand Properties","Inorganic Chemistry","2013","52","","11493","11502","10.1021/ic401817g","","x-ray","0.71073","MoKα","","0.0852","0.051","","","0.1048","0.119","","","","","","0.965","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336305","15.8249","0.0008","11.5094","0.0006","18.4355","0.0008","90","","109.422","0.001","90","","3166.7","0.3","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 Cl3 Ga P2 -","- C37 H30 Cl3 Ga P2 -","- C148 H120 Cl12 Ga4 P8 -","4","1","","Ahmad El-Hellani; Julien Monot; Shun Tang; Régis Guillot; Christophe Bour; Vincent Gandon","Relationship between Gallium Pyramidalization in L.GaCl3 Complexes and the Electronic Ligand Properties","Inorganic Chemistry","2013","52","","11493","11502","10.1021/ic401817g","","x-ray","0.71073","MoKα","","0.0496","0.0331","","","0.0859","0.0908","","","","","","1.065","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336306","11.8128","0.0004","15.2735","0.0006","16.6469","0.0005","90","","96.63","0.001","90","","2983.39","0.18","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 Cl5 Ga P2 -","- C29 H28 Cl5 Ga P2 -","- C116 H112 Cl20 Ga4 P8 -","4","1","","Ahmad El-Hellani; Julien Monot; Shun Tang; Régis Guillot; Christophe Bour; Vincent Gandon","Relationship between Gallium Pyramidalization in L.GaCl3 Complexes and the Electronic Ligand Properties","Inorganic Chemistry","2013","52","","11493","11502","10.1021/ic401817g","","x-ray","0.71073","MoKα","","0.0388","0.0301","","","0.0758","0.0814","","","","","","1.023","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336307","15.3185","0.0007","8.0781","0.0003","27.4363","0.0013","90","","90","","90","","3395.1","0.3","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H24 Cl3 Ga N4 -","- C11 H24 Cl3 Ga N4 -","- C88 H192 Cl24 Ga8 N32 -","8","2","","Ahmad El-Hellani; Julien Monot; Shun Tang; Régis Guillot; Christophe Bour; Vincent Gandon","Relationship between Gallium Pyramidalization in L.GaCl3 Complexes and the Electronic Ligand Properties","Inorganic Chemistry","2013","52","","11493","11502","10.1021/ic401817g","","x-ray","0.71073","MoKα","","0.0451","0.0319","","","0.0601","0.0635","","","","","","1.059","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336308","9.2801","0.0003","9.5188","0.0003","25.2707","0.0009","90","","90","","90","","2232.3","0.13","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H31 Cl3 Ga N -","- C20 H31 Cl3 Ga N -","- C80 H124 Cl12 Ga4 N4 -","4","1","","Ahmad El-Hellani; Julien Monot; Shun Tang; Régis Guillot; Christophe Bour; Vincent Gandon","Relationship between Gallium Pyramidalization in L.GaCl3 Complexes and the Electronic Ligand Properties","Inorganic Chemistry","2013","52","","11493","11502","10.1021/ic401817g","","x-ray","0.71073","MoKα","","0.0523","0.0456","","","0.1212","0.1234","","","","","","1.075","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336309","9.3208","0.0003","14.9396","0.0006","9.7467","0.0004","90","","115.511","0.001","90","","1224.89","0.08","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H35 Cl3 Ga N -","- C23 H35 Cl3 Ga N -","- C46 H70 Cl6 Ga2 N2 -","2","1","","Ahmad El-Hellani; Julien Monot; Shun Tang; Régis Guillot; Christophe Bour; Vincent Gandon","Relationship between Gallium Pyramidalization in L.GaCl3 Complexes and the Electronic Ligand Properties","Inorganic Chemistry","2013","52","","11493","11502","10.1021/ic401817g","","x-ray","0.71073","MoKα","","0.0234","0.0211","","","0.0476","0.0481","","","","","","0.937","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336310","12.264","0.003","9.5567","0.0019","8.4274","0.0017","90","","90","","90","","987.7","0.4","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Cl Ga S4 -","- Ba3 Cl Ga S4 -","- Ba12 Cl4 Ga4 S16 -","4","0.5","","Kai Feng; Wenlong Yin; Zuohong Lin; Jiyong Yao; Yicheng Wu","Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties","Inorganic Chemistry","2013","52","","11503","11508","10.1021/ic401820a","","","0.71073","MoKα","","0.0257","0.0215","","","0.0383","0.0395","","","","","","1.16","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336311","12.3105","0.0004","9.4931","0.0004","8.4906","0.0004","90","","90","","90","","992.25","0.07","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Ga S4 -","- Ba3 Br Ga S4 -","- Ba12 Br4 Ga4 S16 -","4","0.5","","Kai Feng; Wenlong Yin; Zuohong Lin; Jiyong Yao; Yicheng Wu","Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties","Inorganic Chemistry","2013","52","","11503","11508","10.1021/ic401820a","","","0.71073","MoKα","","0.0496","0.0411","","","0.1047","0.113","","","","","","1.052","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336312","12.691","0.003","9.87","0.002","8.7161","0.0017","90","","90","","90","","1091.8","0.4","153","2","153","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Cl Ga Se4 -","- Ba3 Cl Ga Se4 -","- Ba12 Cl4 Ga4 Se16 -","4","0.5","","Kai Feng; Wenlong Yin; Zuohong Lin; Jiyong Yao; Yicheng Wu","Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties","Inorganic Chemistry","2013","52","","11503","11508","10.1021/ic401820a","","","0.71073","MoKα","","0.0377","0.0331","","","0.0734","0.0754","","","","","","1.196","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336313","8.5356","0.0012","8.5356","0.0012","15.015","0.003","90","","90","","90","","1093.9","0.3","153","2","153","2","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ba3 Cl In Se4 -","- Ba3 Cl In Se4 -","- Ba12 Cl4 In4 Se16 -","4","0.125","","Kai Feng; Wenlong Yin; Zuohong Lin; Jiyong Yao; Yicheng Wu","Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties","Inorganic Chemistry","2013","52","","11503","11508","10.1021/ic401820a","","","0.71073","MoKα","","0.0251","0.0234","","","0.0602","0.0612","","","","","","1.194","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336314","24.007","0.005","4.3816","0.0009","10.902","0.002","90","","107.19","0.03","90","","1095.5","0.4","153","2","153","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba7 F8 In2 Se6 -","- Ba7 F8 In2 Se6 -","- Ba14 F16 In4 Se12 -","2","0.25","","Kai Feng; Wenlong Yin; Zuohong Lin; Jiyong Yao; Yicheng Wu","Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties","Inorganic Chemistry","2013","52","","11503","11508","10.1021/ic401820a","","","0.71073","MoKα","","0.0416","0.0312","","","0.0596","0.0626","","","","","","0.952","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336315","10.918","0.009","16.303","0.008","22.856","0.011","90","","115.38","0.04","90","","3676","4","200","2","200","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H55 K N4 Si Ti3 -","- C33 H55 K N4 Si Ti3 -","- C132 H220 K4 N16 Si4 Ti12 -","4","1","","Jorge Caballo; Mariano González-Moreiras; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Reactivity with Electrophiles of Imido Groups Supported on Trinuclear Titanium Systems","Inorganic Chemistry","2013","52","","11519","11529","10.1021/ic4018294","","x-ray","0.71073","MoKα","","0.1438","0.068","","","0.1332","0.1552","","","","","","1.015","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336316","11.8641","0.0018","19.143","0.004","18.043","0.003","90","","117.84","0.01","90","","3623.5","1.2","200","2","200","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H49 F3 N4 O3 S Ti3 -","- C31 H49 F3 N4 O3 S Ti3 -","- C124 H196 F12 N16 O12 S4 Ti12 -","4","1","","Jorge Caballo; Mariano González-Moreiras; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Reactivity with Electrophiles of Imido Groups Supported on Trinuclear Titanium Systems","Inorganic Chemistry","2013","52","","11519","11529","10.1021/ic4018294","","x-ray","0.71073","MoKα","","0.0896","0.0493","","","0.1097","0.1238","","","","","","1.035","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336317","19.579","0.014","20","0.006","21.2235","0.0005","90","","90","","90","","8311","6","200","2","200","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","","","","- C34 H57 F3 N4 O3 S Si Ti3 -","- C34 H57 F3 N4 O3 S Si Ti3 -","- C272 H456 F24 N32 O24 S8 Si8 Ti24 -","8","1","","Jorge Caballo; Mariano González-Moreiras; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Reactivity with Electrophiles of Imido Groups Supported on Trinuclear Titanium Systems","Inorganic Chemistry","2013","52","","11519","11529","10.1021/ic4018294","","x-ray","0.71073","MoKα","","0.1314","0.0725","","","0.1724","0.2194","","","","","","1.038","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336318","11.293","0.006","12.6914","0.0013","12.788","0.007","95.11","0.03","100.16","0.03","98.3","0.03","1772.8","1.4","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C33 H56 N4 Si Ti3 -","- C33 H56 N4 Si Ti3 -","- C66 H112 N8 Si2 Ti6 -","2","1","","Jorge Caballo; Mariano González-Moreiras; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos","Reactivity with Electrophiles of Imido Groups Supported on Trinuclear Titanium Systems","Inorganic Chemistry","2013","52","","11519","11529","10.1021/ic4018294","","x-ray","0.71073","MoKα","","0.0828","0.0521","","","0.1356","0.1504","","","","","","1.055","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336319","7.2668","0.0001","7.2668","0.0001","7.2668","0.0001","90","","90","","90","","383.733","0.009","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Mn O12 V4 -","- Cu3 Mn O12 V4 -","- Cu6 Mn2 O24 V8 -","2","0.0416667","","Yasuhide Akizuki; Ikuya Yamada; Koji Fujita; Norimasa Nishiyama; Tetuo Irifune; Takeshi Yajima; Hiroshi Kageyama; Katsuhisa Tanaka","A-Site-Ordered Perovskite MnCu3V4O12 with a 12-Coordinated Manganese(II)","Inorganic Chemistry","2013","52","","11538","11543","10.1021/ic401855j","powder diffraction","","0.51897","","","0.01911","","","","","","0.02591","0.03255","0.817","","","","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336320","7.2547","0.0001","7.2547","0.0001","7.2547","0.0001","90","","90","","90","","381.82","0.009","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Mn O12 V4 -","- Cu3 Mn O12 V4 -","- Cu6 Mn2 O24 V8 -","2","0.0416667","","Yasuhide Akizuki; Ikuya Yamada; Koji Fujita; Norimasa Nishiyama; Tetuo Irifune; Takeshi Yajima; Hiroshi Kageyama; Katsuhisa Tanaka","A-Site-Ordered Perovskite MnCu3V4O12 with a 12-Coordinated Manganese(II)","Inorganic Chemistry","2013","52","","11538","11543","10.1021/ic401855j","powder diffraction","","0.51897","","","0.02652","","","","","","0.03108","0.03771","0.9633","","","","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336321","10.24424","0.00005","10.24424","","10.24424","","90","","90","","90","","1075.08","0.005","298","","298","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Silver Antimony Oxide","","- Ag O3 Sb -","- Ag O3 Sb -","- Ag16 O48 Sb16 -","16","0.0833333","","Geneva Laurita; Katharine Page; A. W. Sleight; M. A. Subramanian","Structural Investigation of the Substituted Pyrochlore AgSbO3 through Total Scattering Techniques","Inorganic Chemistry","2013","52","","11530","11537","10.1021/ic401860j","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336322","10.2444","0.00006","10.2444","","10.2444","","90","","90","","90","","1075.13","0.006","298","","298","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Silver Sodium Antimony Oxide","","- Ag0.96 Na0.05 O3 Sb -","- Ag0.96338 Na0.0498 O3 Sb -","- Ag15.4141 Na0.7968 O48 Sb16 -","16","0.0833333","","Geneva Laurita; Katharine Page; A. W. Sleight; M. A. Subramanian","Structural Investigation of the Substituted Pyrochlore AgSbO3 through Total Scattering Techniques","Inorganic Chemistry","2013","52","","11530","11537","10.1021/ic401860j","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336323","10.26931","0.00008","10.26931","","10.26931","","90","","90","","90","","1082.99","0.008","298","","298","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Silver Potassium Antimony Oxide","","- Ag0.84 K0.16 O3 Sb -","- Ag0.839 K0.161 O3 Sb -","- Ag13.424 K2.576 O48 Sb16 -","16","0.0833333","","Geneva Laurita; Katharine Page; A. W. Sleight; M. A. Subramanian","Structural Investigation of the Substituted Pyrochlore AgSbO3 through Total Scattering Techniques","Inorganic Chemistry","2013","52","","11530","11537","10.1021/ic401860j","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336324","10.28761","0.00009","10.28761","","10.28761","","90","","90","","90","","1088.79","0.01","298","","298","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Silver Potassium Antimony Oxide","","- Ag0.77 K0.24 O3 Sb -","- Ag0.765 K0.242 O3 Sb -","- Ag12.24 K3.872 O48 Sb16 -","16","0.0833333","","Geneva Laurita; Katharine Page; A. W. Sleight; M. A. Subramanian","Structural Investigation of the Substituted Pyrochlore AgSbO3 through Total Scattering Techniques","Inorganic Chemistry","2013","52","","11530","11537","10.1021/ic401860j","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336325","10.29204","0.00013","10.29204","","10.29204","","90","","90","","90","","1090.2","0.014","298","","298","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Silver Antimony Oxide","","- Ag0.77 O3.04 Sb Tl0.13 -","- Ag0.77213 O3.03675 Sb Tl0.133 -","- Ag12.3541 O48.588 Sb16 Tl2.128 -","16","0.0833333","","Geneva Laurita; Katharine Page; A. W. Sleight; M. A. Subramanian","Structural Investigation of the Substituted Pyrochlore AgSbO3 through Total Scattering Techniques","Inorganic Chemistry","2013","52","","11530","11537","10.1021/ic401860j","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336326","12.355","0.007","12.362","0.007","18.105","0.011","90","","99.891","0.006","90","","2724","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Cs In Te2 -","- Cs In Te2 -","- Cs16 In16 Te32 -","16","2","","Hua Lin; Jin-Ni Shen; Ling Chen; Li-Ming Wu","Quaternary Supertetrahedra-Layered Telluride CsMnInTe3: Why Does This Type of Chalcogenide Tilt?","Inorganic Chemistry","2013","52","","10726","10728","10.1021/ic4018618","","","0.71073","MoKα","","0.0493","0.0332","","","0.0733","0.0781","","","","","","1.058","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336327","12.395","0.007","12.4","0.007","24.318","0.015","90","","97.31","0.012","90","","3707","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cs In Mn Te3 -","- Cs In Mn Te3 -","- Cs16 In16 Mn16 Te48 -","16","2","","Hua Lin; Jin-Ni Shen; Ling Chen; Li-Ming Wu","Quaternary Supertetrahedra-Layered Telluride CsMnInTe3: Why Does This Type of Chalcogenide Tilt?","Inorganic Chemistry","2013","52","","10726","10728","10.1021/ic4018618","","","0.71073","MoKα","","0.0676","0.0433","","","0.1045","0.1191","","","","","","1.065","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336328","32.99","0.002","32.99","0.002","32.99","0.002","90","","90","","90","","35904","4","293","2","293","2","","","","","","","","4","P n -3 n :2","-P 4a 2bc 3","222","","","","- C40.5 H25.5 Cu1.5 O7.5 -","- C39 H21 Cu1.5 O7.5 -","- C624 H336 Cu24 O120 -","16","0.333333","","Yabing He; Zhiyong Guo; Shengchang Xiang; Zhangjing Zhang; Wei Zhou; Frank R. Fronczek; Sean Parkin; Stephen T. Hyde; Michael O'Keeffe; Banglin Chen","Metastable Interwoven Mesoporous Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","11580","11584","10.1021/ic401870e","","","0.71073","MoKα","","0.1737","0.0805","","","0.2385","0.2846","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336329","33.5118","0.0018","33.5118","0.0018","33.5118","0.0018","90","","90","","90","","37635","4","243","2","243","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C156 H84 Mn6 N0 O30 -","- C156 H84 Mn6 O30 -","- C624 H336 Mn24 O120 -","4","0.0833333","","Yabing He; Zhiyong Guo; Shengchang Xiang; Zhangjing Zhang; Wei Zhou; Frank R. Fronczek; Sean Parkin; Stephen T. Hyde; Michael O'Keeffe; Banglin Chen","Metastable Interwoven Mesoporous Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","11580","11584","10.1021/ic401870e","","","0.71073","MoKα","","0.1184","0.0704","","","0.1773","0.1926","","","","","","1.073","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336330","32.8643","0.0015","32.8643","0.0015","32.8643","0.0015","90","","90","","90","","35495","3","90","2","90","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C26 H14 N0 O5 Zn -","- C26 H14 O5 Zn -","- C624 H336 O120 Zn24 -","24","0.5","","Yabing He; Zhiyong Guo; Shengchang Xiang; Zhangjing Zhang; Wei Zhou; Frank R. Fronczek; Sean Parkin; Stephen T. Hyde; Michael O'Keeffe; Banglin Chen","Metastable Interwoven Mesoporous Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","11580","11584","10.1021/ic401870e","","","1.54178","CuKα","","0.0754","0.0654","","","0.2442","0.2584","","","","","","1.069","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336331","33.4952","0.0007","33.4952","0.0007","33.4952","0.0007","90","","90","","90","","37579.2","1.4","173","2","173","2","","","","","","","","5","F 4 3 2","F 4 2 3","209","","","","- C24 H16.67 Cu O5.67 Si0.67 -","- C24 H16.66 Cu O5.66667 Si0.666667 -","- C1152 H799.68 Cu48 O272 Si32 -","48","0.5","","Huiqing Ma; Di Sun; Liangliang Zhang; Rongming Wang; Vladislav A. Blatov; Jie Guo; Daofeng Sun","A ""Strongly"" Self-Catenated Metal-Organic Framework with the Highest Topological Density among 3,4-Coordinated Nets","Inorganic Chemistry","2013","52","","10732","10734","10.1021/ic4018757","","","1.54178","CuKα","","0.1429","0.0966","","","0.2879","0.3218","","","","","","0.951","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336332","11.0786","0.0018","13.562","0.002","16.435","0.003","100.691","0.002","97.532","0.002","100.824","0.003","2347.8","0.7","139","2","139","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H65 B Cl Co N O P2 -","- C44 H65 B Cl Co N O P2 -","- C88 H130 B2 Cl2 Co2 N2 O2 P4 -","2","1","","Sergio S. Rozenel; Rosa Padilla; John Arnold","Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand","Inorganic Chemistry","2013","52","","11544","11550","10.1021/ic4018882","","","0.71073","MoKα","","0.0639","0.045","","","0.1272","0.1379","","","","","","1.096","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336333","10.729","0.003","20.878","0.003","12.305","0.002","90","","100.01","0.02","90","","2714.4","1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C22 H44 Cl Co N P2 Si -","- C22 H44 Cl Co N P2 Si -","- C88 H176 Cl4 Co4 N4 P8 Si4 -","4","2","","Sergio S. Rozenel; Rosa Padilla; John Arnold","Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand","Inorganic Chemistry","2013","52","","11544","11550","10.1021/ic4018882","","","0.71073","MoKα","","0.1889","0.1012","","","0.2381","0.2818","","","","","","1.039","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336334","17.8232","0.0014","18.3731","0.0014","19.216","0.0015","94.256","0.001","109.353","0.0011","97.794","0.001","5834.2","0.8","141","2","141","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H216 Co6 N6 P12 -","- C96 H216 Co6 N6 P12 -","- C192 H432 Co12 N12 P24 -","2","1","","Sergio S. Rozenel; Rosa Padilla; John Arnold","Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand","Inorganic Chemistry","2013","52","","11544","11550","10.1021/ic4018882","","","0.71073","MoKα","","0.0379","0.031","","","0.0723","0.0777","","","","","","1.041","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336335","7.6183","0.0007","8.5862","0.0008","17.7206","0.0016","77.298","0.001","84.314","0.0012","68.049","0.001","1048.62","0.17","159","2","159","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H36 Co N3 P2 -","- C16 H36 Co N3 P2 -","- C32 H72 Co2 N6 P4 -","2","1","","Sergio S. Rozenel; Rosa Padilla; John Arnold","Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand","Inorganic Chemistry","2013","52","","11544","11550","10.1021/ic4018882","","","0.71073","MoKα","","0.0234","0.0221","","","0.0601","0.0611","","","","","","1.09","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336336","13.319","0.003","13.324","0.003","23.314","0.006","90","","90","","90","","4137.4","1.7","104","2","104","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H36 Cl Co N P2 -","- C16 H36 Cl Co N P2 -","- C128 H288 Cl8 Co8 N8 P16 -","8","2","","Sergio S. Rozenel; Rosa Padilla; John Arnold","Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand","Inorganic Chemistry","2013","52","","11544","11550","10.1021/ic4018882","","","0.71073","MoKα","","0.0515","0.043","","","0.0743","0.0763","","","","","","1.112","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336337","36.173","0.007","10.119","0.005","21.802","0.005","90","","104.628","0.009","90","","7722","4","165","2","165","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H72 Co2 N2 P4 -","- C32 H72 Co2 N2 P4 -","- C256 H576 Co16 N16 P32 -","8","1","","Sergio S. Rozenel; Rosa Padilla; John Arnold","Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand","Inorganic Chemistry","2013","52","","11544","11550","10.1021/ic4018882","","","0.71069","MoKα","","0.0441","0.031","","","0.0736","0.0799","","","","","","1.045","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336338","10.2394","0.0011","13.5741","0.0015","15.6167","0.0017","90","","101.668","0.002","90","","2125.7","0.4","169","2","169","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H37 Cl Co N P2 -","- C16 H37 Cl Co N P2 -","- C64 H148 Cl4 Co4 N4 P8 -","4","1","","Sergio S. Rozenel; Rosa Padilla; John Arnold","Chemistry of Reduced Monomeric and Dimeric Cobalt Complexes Supported by a PNP Pincer Ligand","Inorganic Chemistry","2013","52","","11544","11550","10.1021/ic4018882","","","0.71073","MoKα","","0.0313","0.0275","","","0.0656","0.0693","","","","","","1.089","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336339","11.4776","0.0004","16.3213","0.0005","17.6486","0.0006","90","","106.113","0.001","90","","3176.22","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H108 F12 P6 Pt2 Tl2 -","- C48 H108 F12 P6 Pt2 Tl2 -","- C96 H216 F24 P12 Pt4 Tl4 -","2","0.5","","Sirous Jamali; Mona M. Ashtiani; Zahra Jamshidi; Elena Lalinde; M. Teresa Moreno; Hamidreza Samouei; Eduardo Escudero-Adán; Jordi Benet-Buchholz","A Highly Efficient Luminescent Pt2Tl2 Chain with a Short TlI-TlI Interaction","Inorganic Chemistry","2013","52","","10729","10731","10.1021/ic401890t","","","0.71073","MoKα","","0.0356","0.0271","","","0.0595","0.0623","","","","","","1.029","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336340","5.4792","0.0005","7.0445","0.0005","8.1951","0.0009","105.837","0.008","95.241","0.008","110.269","0.008","279.34","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- Au I4 Na O12 -","- Au I4 Na O12 -","- Au I4 Na O12 -","1","1","","Chao Huang; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of a Series of Second Order Nonlinear Optical Materials Based on Monovalent Metal Gold(III) Iodates","Inorganic Chemistry","2013","52","","11551","11562","10.1021/ic401891f","","","0.71073","MoKα","","0.0274","0.027","","","0.0689","0.069","","","","","","1.064","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336341","11.0586","0.0005","4.402","0.0001","12.5146","0.0009","90","","116.644","0.004","90","","544.52","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Au I4 Na O12 -","- Au I4 Na O12 -","- Au2 I8 Na2 O24 -","2","0.5","","Chao Huang; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of a Series of Second Order Nonlinear Optical Materials Based on Monovalent Metal Gold(III) Iodates","Inorganic Chemistry","2013","52","","11551","11562","10.1021/ic401891f","","","0.71073","MoKα","","0.0248","0.0212","","","0.0465","0.0486","","","","","","1.062","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336342","13.538","0.011","5.474","0.004","8.394","0.006","90","","108.993","0.009","90","","588.2","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Au I4 O12 Rb -","- Au I4 O12 Rb -","- Au2 I8 O24 Rb2 -","2","0.5","","Chao Huang; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of a Series of Second Order Nonlinear Optical Materials Based on Monovalent Metal Gold(III) Iodates","Inorganic Chemistry","2013","52","","11551","11562","10.1021/ic401891f","","","0.71073","MoKα","","0.057","0.0565","","","0.1499","0.1504","","","","","","1.078","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336343","13.7753","0.0016","5.5886","0.0003","8.4817","0.0007","90","","108.94","0.013","90","","617.61","0.11","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- Au Cs I4 O12 -","- Au Cs I4 O12 -","- Au2 Cs2 I8 O24 -","2","0.5","","Chao Huang; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of a Series of Second Order Nonlinear Optical Materials Based on Monovalent Metal Gold(III) Iodates","Inorganic Chemistry","2013","52","","11551","11562","10.1021/ic401891f","","","0.71073","MoKα","","0.0315","0.0305","","","0.0674","0.0679","","","","","","0.987","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336344","7.7104","0.0004","7.889","0.0004","10.8936","0.0006","75.991","0.004","72.539","0.005","85.431","0.004","613.28","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Au Cs I4 O12 -","- Au Cs I4 O12 -","- Au2 Cs2 I8 O24 -","2","1","","Chao Huang; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of a Series of Second Order Nonlinear Optical Materials Based on Monovalent Metal Gold(III) Iodates","Inorganic Chemistry","2013","52","","11551","11562","10.1021/ic401891f","","","0.71073","MoKα","","0.0282","0.0257","","","0.0555","0.057","","","","","","1.039","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336345","7.9892","0.0003","5.6513","0.0002","12.8052","0.0005","90","","107.468","0.004","90","","551.49","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ag Au I4 O12 -","- Ag Au I4 O12 -","- Ag2 Au2 I8 O24 -","2","0.5","","Chao Huang; Chun-Li Hu; Xiang Xu; Bing-Ping Yang; Jiang-Gao Mao","Explorations of a Series of Second Order Nonlinear Optical Materials Based on Monovalent Metal Gold(III) Iodates","Inorganic Chemistry","2013","52","","11551","11562","10.1021/ic401891f","","","0.71073","MoKα","","0.0261","0.0252","","","0.0609","0.0615","","","","","","1.092","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336346","24.472","0.007","12.277","0.003","37.226","0.01","90","","103.418","0.004","90","","10879","5","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H57 F6 O3 P5 Ru -","- C60 H53 F6 O3 P5 Ru -","- C480 H424 F48 O24 P40 Ru8 -","8","1","","Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino","Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands","Inorganic Chemistry","2013","52","","11563","11572","10.1021/ic401908t","","","0.71073","MoKα","","0.1869","0.0766","","","0.1545","0.2101","","","","","","1.002","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336347","12.0896","0.0005","23.3404","0.0012","21.6023","0.0011","90","","97.579","0.003","90","","6042.4","0.5","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68.5 H77.5 F6 O4.75 P5 Ru -","- C63 H61 O2 P4 Ru -","- C252 H244 O8 P16 Ru4 -","4","2","","Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino","Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands","Inorganic Chemistry","2013","52","","11563","11572","10.1021/ic401908t","","","0.71073","MoKα","","0.1243","0.0703","","","0.1421","0.1625","","","","","","0.905","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336348","12.0349","0.0001","23.1591","0.0003","21.533","0.0003","90","","97.339","0.001","90","","5952.46","0.12","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C64.88 H68.5 F6 O3.88 P5 Ru -","- C63 H61 O2 P4 Ru -","- C252 H244 O8 P16 Ru4 -","4","2","","Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino","Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands","Inorganic Chemistry","2013","52","","11563","11572","10.1021/ic401908t","","","0.71073","MoKα","","0.0402","0.0315","","","0.0667","0.0697","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336349","14.3816","0.0003","20.1066","0.0003","19.2514","0.0003","90","","90","","90","","5566.83","0.17","180","2","180","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C63 H61 F6 O2 P5 Ru -","- C63 H61 F6 O2 P5 Ru -","- C252 H244 F24 O8 P20 Ru4 -","4","0.5","","Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino","Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands","Inorganic Chemistry","2013","52","","11563","11572","10.1021/ic401908t","","","0.71073","MoKα","","0.021","0.0202","","","0.0511","0.0516","","","","","","1.064","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336350","14.3933","0.0003","20.089","0.0004","19.2867","0.0004","90","","90","","90","","5576.7","0.2","180","2","180","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C63 H61 F6 O2 P5 Ru -","- C63 H61 F6 O2 P5 Ru -","- C252 H244 F24 O8 P20 Ru4 -","4","0.5","","Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino","Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands","Inorganic Chemistry","2013","52","","11563","11572","10.1021/ic401908t","","","0.71073","MoKα","","0.031","0.0287","","","0.0669","0.0681","","","","","","1.031","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336351","11.3239","0.0002","19.5588","0.0004","12.8717","0.0004","90","","116.088","0.001","90","","2560.4","0.11","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H55 F6 O2 P5 Ru -","- C56 H55 F6 O2 P5 Ru -","- C112 H110 F12 O4 P10 Ru2 -","2","1","","Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino","Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands","Inorganic Chemistry","2013","52","","11563","11572","10.1021/ic401908t","","","0.71073","MoKα","","0.058","0.0423","","","0.0819","0.0889","","","","","","1.02","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336352","13.6192","0.0008","12.9919","0.0006","20.361","0.001","90","","103.612","0.005","90","","3501.5","0.3","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C66 H40 N4 Ni7 O26 -","- C66 H40 N4 Ni7 O26 -","- C132 H80 N8 Ni14 O52 -","2","0.5","","Jia Li; Bao Li; Peng Huang; Hai-Yan Shi; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao","Four Coordination Polymers Based on Identical Eight-Connected Heptanuclear Clusters: Spin Canting, Spin Glass, Antiferromagnetism, and Gas Adsorption","Inorganic Chemistry","2013","52","","11573","11579","10.1021/ic401912k","","","0.71073","MoKα","","0.0524","0.0445","","","0.1158","0.1203","","","","","","1.04","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336353","13.848","0.006","19.978","0.009","13.111","0.006","90","","90","","90","","3627","3","173","2","173","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C48 H32 Co7 N4 O26 -","- C48 H32 Co7 N4 O26 -","- C96 H64 Co14 N8 O52 -","2","0.5","","Jia Li; Bao Li; Peng Huang; Hai-Yan Shi; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao","Four Coordination Polymers Based on Identical Eight-Connected Heptanuclear Clusters: Spin Canting, Spin Glass, Antiferromagnetism, and Gas Adsorption","Inorganic Chemistry","2013","52","","11573","11579","10.1021/ic401912k","","","0.71073","MoKα","","0.0545","0.0441","","","0.077","0.0794","","","","","","0.859","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336354","13.722","0.002","19.73","0.003","12.988","0.002","90","","90","","90","","3516.3","0.9","173","2","173","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C48 H32 N4 Ni7 O26 -","- C48 H32 N4 Ni7 O26 -","- C96 H64 N8 Ni14 O52 -","2","0.5","","Jia Li; Bao Li; Peng Huang; Hai-Yan Shi; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao","Four Coordination Polymers Based on Identical Eight-Connected Heptanuclear Clusters: Spin Canting, Spin Glass, Antiferromagnetism, and Gas Adsorption","Inorganic Chemistry","2013","52","","11573","11579","10.1021/ic401912k","","","0.71073","MoKα","","0.0426","0.0407","","","0.105","0.1062","","","","","","1.028","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336355","13.7453","0.0008","13.1307","0.0005","20.5544","0.0011","90","","103.322","0.006","90","","3609.9","0.3","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C66 H40 Co7 N4 O28 -","- C66 H40 Co7 N4 O26.126 -","- C132 H80 Co14 N8 O52.252 -","2","0.5","","Jia Li; Bao Li; Peng Huang; Hai-Yan Shi; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao","Four Coordination Polymers Based on Identical Eight-Connected Heptanuclear Clusters: Spin Canting, Spin Glass, Antiferromagnetism, and Gas Adsorption","Inorganic Chemistry","2013","52","","11573","11579","10.1021/ic401912k","","","0.71073","MoKα","","0.1112","0.0896","","","0.1891","0.1996","","","","","","1.09","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336356","18.268","0.003","18.268","0.003","30.195","0.006","90","","90","","120","","8727","3","100","2","100","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C9 H5 Cu O7 -","- C9 H5 Cu O7 -","- C162 H90 Cu18 O126 -","18","0.5","","Prakash Kanoo; Ryotaro Matsuda; Hiroshi Sato; Liangchun Li; Hyung Joon Jeon; Susumu Kitagawa","In Situ Generation of Functionality in a Reactive Haloalkane-Based Ligand for the Design of New Porous Coordination Polymers","Inorganic Chemistry","2013","52","","10735","10737","10.1021/ic401924d","","","0.71073","MoKα","","0.0857","0.0784","","","0.2252","0.2345","","","","","","1.123","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336357","14.563","0.003","34.392","0.007","19.462","0.004","90","","101.57","0.03","90","","9549","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H30 Cu2 N7 O17 -","- C43 H30 Cu2 N7 O17 -","- C172 H120 Cu8 N28 O68 -","4","1","","Prakash Kanoo; Ryotaro Matsuda; Hiroshi Sato; Liangchun Li; Hyung Joon Jeon; Susumu Kitagawa","In Situ Generation of Functionality in a Reactive Haloalkane-Based Ligand for the Design of New Porous Coordination Polymers","Inorganic Chemistry","2013","52","","10735","10737","10.1021/ic401924d","","","0.71073","MoKα","","0.1889","0.1247","","","0.3071","0.357","","","","","","0.994","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336358","13.72","0.0012","13.5181","0.0012","51.965","0.005","90","","92.2338","0.0019","90","","9630.5","1.5","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C69 H48 Ir P3 -","- C69 H48 Ir P3 -","- C414 H288 Ir6 P18 -","6","3","","Leen E. E. Broeckx; Wylliam Delaunay; Camille Latouche; Martin Lutz; Abdou Boucekkine; Muriel Hissler; Christian Müller","C-H Activation of 2,4,6-Triphenylphosphinine: Synthesis and Characterization of the First Homoleptic Phosphinine-Iridium(III) Complex fac-[Ir(C^P)3]","Inorganic Chemistry","2013","52","","10738","10740","10.1021/ic401933m","","","0.71073","MoKα","","0.0503","0.0401","","","0.0762","0.0785","","","","","","1.023","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336359","9.8895","0.0013","21.702","0.003","14.547","0.002","90","","99.006","0.016","90","","3083.6","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Fe N4 O4 Si -","- C30 H38 Fe N4 O4 Si -","- C120 H152 Fe4 N16 O16 Si4 -","4","1","","Konstantin Junold; Johannes A. Baus; Christian Burschka; Thomas Vent-Schmidt; Sebastian Riedel; Reinhold Tacke","Five-Coordinate Silicon(II) Compounds with Si-M Bonds (M = Cr, Mo, W, Fe): Bis[N,N'-diisopropylbenzamidinato(-)]silicon(II) as a Ligand in Transition-Metal Complexes","Inorganic Chemistry","2013","52","","11593","11599","10.1021/ic401954e","","","0.71073","MoKα","","0.0394","0.0329","","","0.0908","0.0938","","","","","","1.075","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336360","10.774","0.002","19.5","0.003","16.413","0.003","90","","107.17","0.02","90","","3294.6","1.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Cr N4 O5 Si -","- C31 H38 Cr N4 O5 Si -","- C124 H152 Cr4 N16 O20 Si4 -","4","1","","Konstantin Junold; Johannes A. Baus; Christian Burschka; Thomas Vent-Schmidt; Sebastian Riedel; Reinhold Tacke","Five-Coordinate Silicon(II) Compounds with Si-M Bonds (M = Cr, Mo, W, Fe): Bis[N,N'-diisopropylbenzamidinato(-)]silicon(II) as a Ligand in Transition-Metal Complexes","Inorganic Chemistry","2013","52","","11593","11599","10.1021/ic401954e","","","0.71073","MoKα","","0.059","0.0461","","","0.1181","0.1253","","","","","","1.016","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336361","10.7945","0.0015","19.703","0.003","16.706","0.002","90","","106.977","0.016","90","","3398.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H38 Mo N4 O5 Si -","- C31 H38 Mo N4 O5 Si -","- C124 H152 Mo4 N16 O20 Si4 -","4","1","","Konstantin Junold; Johannes A. Baus; Christian Burschka; Thomas Vent-Schmidt; Sebastian Riedel; Reinhold Tacke","Five-Coordinate Silicon(II) Compounds with Si-M Bonds (M = Cr, Mo, W, Fe): Bis[N,N'-diisopropylbenzamidinato(-)]silicon(II) as a Ligand in Transition-Metal Complexes","Inorganic Chemistry","2013","52","","11593","11599","10.1021/ic401954e","","","0.71073","MoKα","","0.0357","0.0303","","","0.0797","0.0825","","","","","","1.036","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336362","13.0663","0.0015","15.0234","0.0016","15.1226","0.0016","63.82","0.005","67.216","0.005","66.304","0.005","2358.5","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 B2 Fe N10 S2 -","- C50 H52 B2 Fe N10 S2 -","- C100 H104 B4 Fe2 N20 S4 -","2","1","","Magdalena Milek; Frank W. Heinemann; Marat M. Khusniyarov","Spin Crossover Meets Diarylethenes: Efficient Photoswitching of Magnetic Properties in Solution at Room Temperature","Inorganic Chemistry","2013","52","","11585","11592","10.1021/ic401960x","","","0.71073","MoKα","","0.1201","0.0617","","","0.1473","0.178","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336363","13.309","0.0013","15.1515","0.0015","15.4112","0.0014","63.665","0.005","67.376","0.005","67.038","0.005","2478.7","0.4","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 B2 Fe N10 S2 -","- C50 H52 B2 Fe N10 S2 -","- C100 H104 B4 Fe2 N20 S4 -","2","1","","Magdalena Milek; Frank W. Heinemann; Marat M. Khusniyarov","Spin Crossover Meets Diarylethenes: Efficient Photoswitching of Magnetic Properties in Solution at Room Temperature","Inorganic Chemistry","2013","52","","11585","11592","10.1021/ic401960x","","","0.71073","MoKα","","0.157","0.0636","","","0.1482","0.1946","","","","","","0.962","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336364","13.057","0.0008","16.715","0.001","13.6361","0.0008","90","","101.858","0.003","90","","2912.5","0.3","143","1","143","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 Ce2 N12 O6 -","- C54 H78 Ce2 N12 O6 -","- C108 H156 Ce4 N24 O12 -","2","0.5","","Justin A. Bogart; Andrew J. Lewis; Scott A. Medling; Nicholas A. Piro; Patrick J. Carroll; Corwin H. Booth; Eric J. Schelter","Homoleptic Cerium(III) and Cerium(IV) Nitroxide Complexes: Significant Stabilization of the 4+ Oxidation State","Inorganic Chemistry","2013","52","","11600","11607","10.1021/ic401974t","","","0.71073","MoKα","","0.0375","0.0296","","","0.0676","0.0757","","","","","","1.189","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336365","25.7533","0.0013","10.0788","0.0005","17.7825","0.0009","90","","125.134","0.002","90","","3774.7","0.3","143","1","143","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Ce N8 O4 -","- C36 H52 Ce N8 O4 -","- C144 H208 Ce4 N32 O16 -","4","0.5","","Justin A. Bogart; Andrew J. Lewis; Scott A. Medling; Nicholas A. Piro; Patrick J. Carroll; Corwin H. Booth; Eric J. Schelter","Homoleptic Cerium(III) and Cerium(IV) Nitroxide Complexes: Significant Stabilization of the 4+ Oxidation State","Inorganic Chemistry","2013","52","","11600","11607","10.1021/ic401974t","","","0.71073","MoKα","","0.021","0.0186","","","0.0508","0.0528","","","","","","1.136","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336366","14.4111","0.0008","22.9801","0.0014","22.4451","0.0013","90","","102.809","0.003","90","","7248.1","0.7","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H96 Ce K N12 O10 -","- C67.96 H95.96 Ce K N12.04 O10 -","- C271.84 H383.84 Ce4 K4 N48.16 O40 -","4","1","","Justin A. Bogart; Andrew J. Lewis; Scott A. Medling; Nicholas A. Piro; Patrick J. Carroll; Corwin H. Booth; Eric J. Schelter","Homoleptic Cerium(III) and Cerium(IV) Nitroxide Complexes: Significant Stabilization of the 4+ Oxidation State","Inorganic Chemistry","2013","52","","11600","11607","10.1021/ic401974t","","","0.71073","MoKα","","0.0777","0.0515","","","0.1065","0.1271","","","","","","1.106","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336367","8.8369","0.0018","9.7566","0.0019","30.133","0.006","90","","93.567","0.003","90","","2593","0.9","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 N P2 -","- C32 H29 N P2 -","- C128 H116 N4 P8 -","4","1","","Li-Cheng Song; Jia-Peng Li; Zhao-Jun Xie; Hai-Bin Song","Synthesis, Structural Characterization, and Electrochemical Properties of Dinuclear Ni/Mn Model Complexes for the Active Site of [NiFe]-Hydrogenases","Inorganic Chemistry","2013","52","","11618","11626","10.1021/ic401978h","","","0.71073","MoKα","","0.0629","0.0479","","","0.1068","0.1148","","","","","","1.071","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336368","9.665","0.004","14.527","0.005","9.866","0.004","90","","117.471","0.006","90","","1229","0.8","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H27 N O2 P2 -","- C28 H27 N O2 P2 -","- C56 H54 N2 O4 P4 -","2","1","","Li-Cheng Song; Jia-Peng Li; Zhao-Jun Xie; Hai-Bin Song","Synthesis, Structural Characterization, and Electrochemical Properties of Dinuclear Ni/Mn Model Complexes for the Active Site of [NiFe]-Hydrogenases","Inorganic Chemistry","2013","52","","11618","11626","10.1021/ic401978h","","","0.71073","MoKα","","0.0309","0.0263","","","0.0583","0.059","","","","","","1.042","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336369","20.172","0.01","8.555","0.003","20.614","0.01","90","","117.179","0.006","90","","3165","2","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Cl4 N Ni P2 -","- C33 H31 Cl4 N Ni P2 -","- C132 H124 Cl16 N4 Ni4 P8 -","4","1","","Li-Cheng Song; Jia-Peng Li; Zhao-Jun Xie; Hai-Bin Song","Synthesis, Structural Characterization, and Electrochemical Properties of Dinuclear Ni/Mn Model Complexes for the Active Site of [NiFe]-Hydrogenases","Inorganic Chemistry","2013","52","","11618","11626","10.1021/ic401978h","","","0.71073","MoKα","","0.0588","0.0523","","","0.1488","0.1535","","","","","","1.121","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336370","11.975","0.008","17.729","0.009","18.711","0.012","90","","98.774","0.01","90","","3926","4","113","2","113","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 Cl Mn N Ni O3 P2 S2 -","- C39 H39 Cl Mn N Ni O3 P2 S2 -","- C156 H156 Cl4 Mn4 N4 Ni4 O12 P8 S8 -","4","1","","Li-Cheng Song; Jia-Peng Li; Zhao-Jun Xie; Hai-Bin Song","Synthesis, Structural Characterization, and Electrochemical Properties of Dinuclear Ni/Mn Model Complexes for the Active Site of [NiFe]-Hydrogenases","Inorganic Chemistry","2013","52","","11618","11626","10.1021/ic401978h","","","0.71073","MoKα","","0.0635","0.0568","","","0.1353","0.1397","","","","","","1.148","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336371","11.995","0.003","17.737","0.004","18.622","0.004","90","","99.098","0.003","90","","3912.1","1.6","113","2","113","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C39 H39 Br Mn N Ni O3 P2 S2 -","- C39 H39 Br Mn N Ni O3 P2 S2 -","- C156 H156 Br4 Mn4 N4 Ni4 O12 P8 S8 -","4","1","","Li-Cheng Song; Jia-Peng Li; Zhao-Jun Xie; Hai-Bin Song","Synthesis, Structural Characterization, and Electrochemical Properties of Dinuclear Ni/Mn Model Complexes for the Active Site of [NiFe]-Hydrogenases","Inorganic Chemistry","2013","52","","11618","11626","10.1021/ic401978h","","","0.71073","MoKα","","0.0527","0.0471","","","0.1143","0.1177","","","","","","1.076","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336372","9.5722","0.0017","13.933","0.002","17.134","0.002","69.068","0.014","78.86","0.02","84.86","0.02","2093.6","0.6","113","2","113","2","","","","","","","","10","P -1","-P 1","2","","","","- C38.3 H44.6 Br Cl0.6 Mn N Ni O5 P2 S2 -","- C38.3 H44.6 Br Cl0.6 Mn N Ni O5 P2 S2 -","- C76.6 H89.2 Br2 Cl1.2 Mn2 N2 Ni2 O10 P4 S4 -","2","1","","Li-Cheng Song; Jia-Peng Li; Zhao-Jun Xie; Hai-Bin Song","Synthesis, Structural Characterization, and Electrochemical Properties of Dinuclear Ni/Mn Model Complexes for the Active Site of [NiFe]-Hydrogenases","Inorganic Chemistry","2013","52","","11618","11626","10.1021/ic401978h","","","0.71073","MoKα","","0.0699","0.0581","","","0.1375","0.1447","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336373","14.4585","0.0009","22.5407","0.0011","15.7106","0.001","90","","111.913","0.008","90","","4750.2","0.6","99.9","0.2","99.9","0.2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38.6 H42.1 N12.8 Ni O11.35 Tb W -","- C38.6 H42.1 N12.8 Ni O11.35 Tb W -","- C154.4 H168.4 N51.2 Ni4 O45.4 Tb4 W4 -","4","1","","Maria-Gabriela Alexandru; Diana Visinescu; Sergiu Shova; Francesc Lloret; Miguel Julve; Marius Andruh","Two-Dimensional Coordination Polymers Constructed by [NiIILnIII] Nodes and [WIV(bpy)(CN)6]2- Spacers: A Network of [NiIIDyIII] Single Molecule Magnets","Inorganic Chemistry","2013","52","","11627","11637","10.1021/ic4019794","","","0.7107","MoKα","","0.0657","0.0457","","","0.0938","0.1011","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336374","14.4382","0.0004","22.5081","0.0006","15.716","0.0005","90","","111.866","0.004","90","","4739.9","0.3","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H43.8 Dy N13 Ni O11.9 W -","- C39 H43.8 Dy N13 Ni O11.9 W -","- C156 H175.2 Dy4 N52 Ni4 O47.6 W4 -","4","1","","Maria-Gabriela Alexandru; Diana Visinescu; Sergiu Shova; Francesc Lloret; Miguel Julve; Marius Andruh","Two-Dimensional Coordination Polymers Constructed by [NiIILnIII] Nodes and [WIV(bpy)(CN)6]2- Spacers: A Network of [NiIIDyIII] Single Molecule Magnets","Inorganic Chemistry","2013","52","","11627","11637","10.1021/ic4019794","","","0.7107","MoKα","","0.083","0.0532","","","0.0871","0.0955","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336375","14.4542","0.0007","22.6068","0.0007","15.7197","0.0008","90","","111.966","0.006","90","","4763.7","0.4","100","0.1","100","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H41.5 Gd N13.5 Ni O10 W -","- C40 H41.5 Gd N13.5 Ni O10 W -","- C160 H166 Gd4 N54 Ni4 O40 W4 -","4","1","","Maria-Gabriela Alexandru; Diana Visinescu; Sergiu Shova; Francesc Lloret; Miguel Julve; Marius Andruh","Two-Dimensional Coordination Polymers Constructed by [NiIILnIII] Nodes and [WIV(bpy)(CN)6]2- Spacers: A Network of [NiIIDyIII] Single Molecule Magnets","Inorganic Chemistry","2013","52","","11627","11637","10.1021/ic4019794","","","0.7107","MoKα","","0.0728","0.0504","","","0.1049","0.114","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336376","13.374","0.002","12.856","0.002","16.237","0.003","90","","93.158","0.003","90","","2787.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","VCl(PMe2Ph)2(NtBu)2","","","- C24 H40 Cl N2 P2 V -","- C24 H40 Cl N2 P2 V -","- C96 H160 Cl4 N8 P8 V4 -","4","1","","Henry S. La Pierre; Stefan G. Minasian; Mark Abubekerov; Stosh A. Kozimor; David K. Shuh; Tolek Tyliszczak; John Arnold; Robert G. Bergman; F. Dean Toste","Vanadium Bisimide Bonding Investigated by X-ray Crystallography, 51V and 13C Nuclear Magnetic Resonance Spectroscopy, and V L3,2-Edge X-ray Absorption Near-Edge Structure Spectroscopy","Inorganic Chemistry","2013","52","","11650","11660","10.1021/ic4020543","","","0.71073","MoKα","","0.0504","0.0352","","","0.0981","0.1208","","","","","","1.138","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336377","9.504","0.002","18.182","0.004","23.174","0.005","90","","90","","90","","4004.5","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","VCl(Py)2(NtBu)2","","","- C18 H28 Cl N4 V -","- C18 H28 Cl N4 V -","- C144 H224 Cl8 N32 V8 -","8","1","","Henry S. La Pierre; Stefan G. Minasian; Mark Abubekerov; Stosh A. Kozimor; David K. Shuh; Tolek Tyliszczak; John Arnold; Robert G. Bergman; F. Dean Toste","Vanadium Bisimide Bonding Investigated by X-ray Crystallography, 51V and 13C Nuclear Magnetic Resonance Spectroscopy, and V L3,2-Edge X-ray Absorption Near-Edge Structure Spectroscopy","Inorganic Chemistry","2013","52","","11650","11660","10.1021/ic4020543","","","0.71073","MoKα","","0.0438","0.0325","","","0.0765","0.0841","","","","","","1.103","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336378","11.5148","0.0013","28.109","0.003","14.1707","0.0016","90","","90","","90","","4586.6","0.9","100","2","100","2","","","","","","","","6","P b c m","-P 2c 2b","57","VI(PMe3)2(NtBu)2","","","- C14 H36 I N2 P2 V -","- C14 H36 I N2 P2 V -","- C112 H288 I8 N16 P16 V8 -","8","1","","Henry S. La Pierre; Stefan G. Minasian; Mark Abubekerov; Stosh A. Kozimor; David K. Shuh; Tolek Tyliszczak; John Arnold; Robert G. Bergman; F. Dean Toste","Vanadium Bisimide Bonding Investigated by X-ray Crystallography, 51V and 13C Nuclear Magnetic Resonance Spectroscopy, and V L3,2-Edge X-ray Absorption Near-Edge Structure Spectroscopy","Inorganic Chemistry","2013","52","","11650","11660","10.1021/ic4020543","","","0.71073","MoKα","","0.0627","0.0342","","","0.0572","0.0676","","","","","","1.074","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336379","9.485","0.004","9.55","0.004","27.83","0.011","90","","95.873","0.007","90","","2507.7","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","VPh(PMe3)2(NtBu)2","VPh(PMe3)2(NtBu)2","","- C20 H41 N2 P2 V -","- C20 H41 N2 P2 V -","- C80 H164 N8 P8 V4 -","4","1","","Henry S. La Pierre; Stefan G. Minasian; Mark Abubekerov; Stosh A. Kozimor; David K. Shuh; Tolek Tyliszczak; John Arnold; Robert G. Bergman; F. Dean Toste","Vanadium Bisimide Bonding Investigated by X-ray Crystallography, 51V and 13C Nuclear Magnetic Resonance Spectroscopy, and V L3,2-Edge X-ray Absorption Near-Edge Structure Spectroscopy","Inorganic Chemistry","2013","52","","11650","11660","10.1021/ic4020543","","","0.71073","MoKα","","0.1068","0.0958","","","0.2211","0.2259","","","","","","1.158","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336380","10.8807","0.0005","13.4098","0.0006","13.9681","0.0007","78.558","0.001","70.097","0.001","85.428","0.001","1878.08","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H81 Cd2 Cl3 N20 O13 -","- C63.996 H80.994 Cd2 Cl3 N19.998 O13 -","- C63.996 H80.994 Cd2 Cl3 N19.998 O13 -","1","0.5","","Daniel L. Reger; Andrea E. Pascui; Perry J. Pellechia; Mark D. Smith","Zinc(II) and Cadmium(II) Monohydroxide Bridged, Dinuclear Metallacycles: A Unique Case of Concerted Double Berry Pseudorotation","Inorganic Chemistry","2013","52","","11638","11649","10.1021/ic402073d","","","0.71073","MoKα","","0.0384","0.0347","","","0.0926","0.0957","","","","","","1.06","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336381","14.2332","0.0005","16.8433","0.0006","21.8771","0.0008","97.669","0.001","102.779","0.001","94.881","0.001","5033.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Cl3 N17 O13 Zn2 -","- C42 H39 Cl2.9995 N17 O12.998 Zn2 -","- C168 H156 Cl11.998 N68 O51.992 Zn8 -","4","2","","Daniel L. Reger; Andrea E. Pascui; Perry J. Pellechia; Mark D. Smith","Zinc(II) and Cadmium(II) Monohydroxide Bridged, Dinuclear Metallacycles: A Unique Case of Concerted Double Berry Pseudorotation","Inorganic Chemistry","2013","52","","11638","11649","10.1021/ic402073d","","","0.71073","MoKα","","0.0899","0.0602","","","0.1418","0.1557","","","","","","1.071","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336382","10.3497","0.0009","42.817","0.004","11.9166","0.0009","90","","101.797","0.002","90","","5169.2","0.8","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C43 H41.5 Cl3 N17.5 O13 Zn2 -","- C43 H40.5 Cl3 N17.5 O13 Zn2 -","- C172 H162 Cl12 N70 O52 Zn8 -","4","1","","Daniel L. Reger; Andrea E. Pascui; Perry J. Pellechia; Mark D. Smith","Zinc(II) and Cadmium(II) Monohydroxide Bridged, Dinuclear Metallacycles: A Unique Case of Concerted Double Berry Pseudorotation","Inorganic Chemistry","2013","52","","11638","11649","10.1021/ic402073d","","","0.71073","MoKα","","0.1237","0.0679","","","0.1516","0.1706","","","","","","0.949","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336383","11.339","0.0007","12.8304","0.0008","13.3422","0.0008","116.578","0.001","99.107","0.001","105.748","0.002","1580.12","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H69 Cl3 N16 O13 Zn2 -","- C56 H68 Cl3 N16 O13 Zn2 -","- C56 H68 Cl3 N16 O13 Zn2 -","1","0.5","","Daniel L. Reger; Andrea E. Pascui; Perry J. Pellechia; Mark D. Smith","Zinc(II) and Cadmium(II) Monohydroxide Bridged, Dinuclear Metallacycles: A Unique Case of Concerted Double Berry Pseudorotation","Inorganic Chemistry","2013","52","","11638","11649","10.1021/ic402073d","","","0.71073","MoKα","","0.0984","0.0503","","","0.0935","0.1069","","","","","","0.849","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336384","13.2281","0.0007","13.9512","0.0005","19.844","0.0011","86.049","0.005","84.316","0.003","67.594","0.004","3367.1","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H34 B2 Cl4 F30 P2 -","- C70 H34 B2 Cl4 F30 P2 -","- C140 H68 B4 Cl8 F60 P4 -","2","1","","Jiangang Yu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reaction of Diphenylphosphanylacetylene with RB(C6F5)2 Reagents: Evidence for a Remarkable Sequence of Synergistic Frustrated Lewis Pair Addition Reactions","Inorganic Chemistry","2013","52","","11661","11668","10.1021/ic402139g","","","1.54178","CuKα","","0.0873","0.0743","","","0.1939","0.2053","","","","","","1.038","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336385","11.1554","0.001","20.4812","0.0014","15.9966","0.0007","90","","104.768","0.005","90","","3534.1","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H19 B F15 P -","- C39 H19 B F15 P -","- C156 H76 B4 F60 P4 -","4","1","","Jiangang Yu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reaction of Diphenylphosphanylacetylene with RB(C6F5)2 Reagents: Evidence for a Remarkable Sequence of Synergistic Frustrated Lewis Pair Addition Reactions","Inorganic Chemistry","2013","52","","11661","11668","10.1021/ic402139g","","","1.54178","CuKα","","0.0434","0.0391","","","0.0996","0.1033","","","","","","1.035","","","","has coordinates,has disorder","179466","2020-10-21","18:00:00",""
"4336386","8.9861","0.0012","12.7129","0.0019","14.7045","0.001","71.57","0.006","83.088","0.008","74.813","0.01","1536.7","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H15 B F15 P -","- C34 H15 B F15 P -","- C68 H30 B2 F30 P2 -","2","1","","Jiangang Yu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reaction of Diphenylphosphanylacetylene with RB(C6F5)2 Reagents: Evidence for a Remarkable Sequence of Synergistic Frustrated Lewis Pair Addition Reactions","Inorganic Chemistry","2013","52","","11661","11668","10.1021/ic402139g","","","1.54178","CuKα","","0.0641","0.0502","","","0.1292","0.1426","","","","","","1.027","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336387","13.2776","0.0004","13.9853","0.0008","16.3101","0.0009","93.485","0.003","97.639","0.002","93.71","0.004","2988.1","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H44 B2 F20 P2 -","- C68 H44 B2 F20 P2 -","- C136 H88 B4 F40 P4 -","2","1","","Jiangang Yu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reaction of Diphenylphosphanylacetylene with RB(C6F5)2 Reagents: Evidence for a Remarkable Sequence of Synergistic Frustrated Lewis Pair Addition Reactions","Inorganic Chemistry","2013","52","","11661","11668","10.1021/ic402139g","","","1.54178","CuKα","","0.0695","0.0553","","","0.1418","0.1538","","","","","","1.025","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336388","13.76","0.0007","23.879","0.002","21.966","0.003","90","","94.374","0.006","90","","7196.5","1.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H31 B2 F30 N P2 -","- C69 H31 B2 F30 N P2 -","- C276 H124 B8 F120 N4 P8 -","4","1","","Jiangang Yu; Gerald Kehr; Constantin G. Daniliuc; Gerhard Erker","Reaction of Diphenylphosphanylacetylene with RB(C6F5)2 Reagents: Evidence for a Remarkable Sequence of Synergistic Frustrated Lewis Pair Addition Reactions","Inorganic Chemistry","2013","52","","11661","11668","10.1021/ic402139g","","","1.54178","CuKα","","0.1184","0.0717","","","0.1945","0.2224","","","","","","1.063","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336389","7.34285","0.00005","7.34285","","7.34285","","90","","90","","90","","395.908","0.003","298","2","298","2","","","","","","","","4","I m -3","-I 2 2 3","204","Calcium Cobalt Vanadium Oxide","","","- Ca Co3 O12 V4 -","- Ca Co3 O12 V4 -","- Ca2 Co6 O24 V8 -","2","0.0416667","","Sergey V. Ovsyannikov; Yury G. Zainulin; Nadezda I. Kadyrova; Alexander P. Tyutyunnik; Anna S. Semenova; Deepa Kasinathan; Alexander A. Tsirlin; Nobuyoshi Miyajima; Alexander E. Karkin","New Antiferromagnetic Perovskite CaCo3V4O12 Prepared at High-Pressure and High-Temperature Conditions","Inorganic Chemistry","2013","52","","11703","11710","10.1021/ic400649h","powder diffraction","x-ray","1.54056","CuK~a~1","","","","","","","","0.04105","","1.06","","","","","","","has coordinates,has Fobs","179466","2020-10-21","18:00:00",""
"4336390","5.3196","0.0012","7.5488","0.0013","5.3439","0.0011","90","","90","","90","","214.59","0.08","298","2","298","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Calcium Vanadium Oxide","","","- Ca O3 V -","- Ca O3 V -","- Ca4 O12 V4 -","4","0.5","","Sergey V. Ovsyannikov; Yury G. Zainulin; Nadezda I. Kadyrova; Alexander P. Tyutyunnik; Anna S. Semenova; Deepa Kasinathan; Alexander A. Tsirlin; Nobuyoshi Miyajima; Alexander E. Karkin","New Antiferromagnetic Perovskite CaCo3V4O12 Prepared at High-Pressure and High-Temperature Conditions","Inorganic Chemistry","2013","52","","11703","11710","10.1021/ic400649h","powder diffraction","x-ray","1.54056","CuK~a~1","","","","","","","","0.04105","","1.06","","","","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336391","4.5983","0.001","4.5983","","2.8514","0.0005","90","","90","","90","","60.291","0.017","298","2","298","2","","","","","","","","2","P 42/m n m","-P 4n 2n","136","Vanadium Oxide","","","- O2 V -","- O2 V -","- O4 V2 -","2","0.125","","Sergey V. Ovsyannikov; Yury G. Zainulin; Nadezda I. Kadyrova; Alexander P. Tyutyunnik; Anna S. Semenova; Deepa Kasinathan; Alexander A. Tsirlin; Nobuyoshi Miyajima; Alexander E. Karkin","New Antiferromagnetic Perovskite CaCo3V4O12 Prepared at High-Pressure and High-Temperature Conditions","Inorganic Chemistry","2013","52","","11703","11710","10.1021/ic400649h","powder diffraction","x-ray","1.54056","CuK~a~1","","","","","","","","0.04105","","1.06","","","","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336392","10.6293","0.0016","11.838","0.002","14.037","0.002","80.17","0.013","82.194","0.004","89.536","0.005","1724","0.5","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N3 Pt -","- C22 H15 N3 Pt -","- C88 H60 N12 Pt4 -","4","2","","Caleb F. Harris; Dileep A. K. Vezzu; Libero Bartolotti; Paul D. Boyle; Shouquan Huo","Synthesis, Structure, Photophysics, and a DFT Study of Phosphorescent C*N^N- and C^N^N-Coordinated Platinum Complexes","Inorganic Chemistry","2013","52","","11711","11722","10.1021/ic400732g","","","0.71073","MoKα","","0.1078","0.0559","","","0.1251","0.1676","","","","","","1.024","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336393","10.2989","0.0005","18.5736","0.0008","9.5705","0.0004","90","","106.437","0.002","90","","1755.9","0.14","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl N3 Pt -","- C22 H16 Cl N3 Pt -","- C88 H64 Cl4 N12 Pt4 -","4","1","","Caleb F. Harris; Dileep A. K. Vezzu; Libero Bartolotti; Paul D. Boyle; Shouquan Huo","Synthesis, Structure, Photophysics, and a DFT Study of Phosphorescent C*N^N- and C^N^N-Coordinated Platinum Complexes","Inorganic Chemistry","2013","52","","11711","11722","10.1021/ic400732g","","","0.71073","MoKα","","0.0552","0.0292","","","0.066","0.0884","","","","","","1.08","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336394","8.6811","0.0004","11.6924","0.0006","26.0284","0.0013","96.276","0.003","93.114","0.002","109.657","0.002","2461.3","0.2","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H22 Cl N3 Pt -","- C30.5 H22 Cl N3 Pt -","- C122 H88 Cl4 N12 Pt4 -","4","2","","Caleb F. Harris; Dileep A. K. Vezzu; Libero Bartolotti; Paul D. Boyle; Shouquan Huo","Synthesis, Structure, Photophysics, and a DFT Study of Phosphorescent C*N^N- and C^N^N-Coordinated Platinum Complexes","Inorganic Chemistry","2013","52","","11711","11722","10.1021/ic400732g","","","0.71073","MoKα","","0.0558","0.0327","","","0.0649","0.0757","","","","","","1.042","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336395","9.0789","0.0004","10.2593","0.0004","27.1874","0.0012","87.128","0.003","86.823","0.002","68.928","0.002","2358.11","0.18","110","","110","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N4 Pt -","- C28 H20 N4 Pt -","- C112 H80 N16 Pt4 -","4","2","","Caleb F. Harris; Dileep A. K. Vezzu; Libero Bartolotti; Paul D. Boyle; Shouquan Huo","Synthesis, Structure, Photophysics, and a DFT Study of Phosphorescent C*N^N- and C^N^N-Coordinated Platinum Complexes","Inorganic Chemistry","2013","52","","11711","11722","10.1021/ic400732g","","","0.71073","MoKα","","0.1011","0.052","","","0.0974","0.1129","","","","","","1.025","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336396","7.024","0.002","11.912","0.007","14.944","0.005","90","","101.095","0.014","90","","1227","0.9","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl N3 Pt -","- C14 H10 Cl N3 Pt -","- C56 H40 Cl4 N12 Pt4 -","4","1","","Caleb F. Harris; Dileep A. K. Vezzu; Libero Bartolotti; Paul D. Boyle; Shouquan Huo","Synthesis, Structure, Photophysics, and a DFT Study of Phosphorescent C*N^N- and C^N^N-Coordinated Platinum Complexes","Inorganic Chemistry","2013","52","","11711","11722","10.1021/ic400732g","","","0.71073","MoKα","","0.032","0.0219","","","0.0415","0.0438","","","","","","1.029","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336397","5.8014","0.0012","6.1315","0.0012","8.139","0.0016","90","","91.14","0.03","90","","289.46","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H6 Mn O6 Sr2 -","- H6 Mn O6 Sr2 -","- H12 Mn2 O12 Sr4 -","2","0.5","","W. Michael Chance; Daniel E. Bugaris; Athena S. Sefat; Hans-Conrad zur Loye","Crystal Growth of New Hexahydroxometallates Using a Hydroflux","Inorganic Chemistry","2013","52","","11723","11733","10.1021/ic400910g","","","0.71073","MoKα","","0.0194","0.0183","","","0.048","0.0485","","","","","","1.149","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336398","5.7639","0.0012","6.1349","0.0012","8.0971","0.0016","90","","90.8","0.03","90","","286.29","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Co H6 O6 Sr2 -","- Co H6 O6 Sr2 -","- Co2 H12 O12 Sr4 -","2","0.5","","W. Michael Chance; Daniel E. Bugaris; Athena S. Sefat; Hans-Conrad zur Loye","Crystal Growth of New Hexahydroxometallates Using a Hydroflux","Inorganic Chemistry","2013","52","","11723","11733","10.1021/ic400910g","","","0.71073","MoKα","","0.0177","0.016","","","0.0314","0.0328","","","","","","1.182","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336399","5.7617","0.0012","6.1292","0.0012","8.0797","0.0016","90","","90.73","0.03","90","","285.31","0.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H6 Ni O6 Sr2 -","- H6 Ni O6 Sr2 -","- H12 Ni2 O12 Sr4 -","2","0.5","","W. Michael Chance; Daniel E. Bugaris; Athena S. Sefat; Hans-Conrad zur Loye","Crystal Growth of New Hexahydroxometallates Using a Hydroflux","Inorganic Chemistry","2013","52","","11723","11733","10.1021/ic400910g","","","0.71073","MoKα","","0.0158","0.0151","","","0.0314","0.0317","","","","","","1.143","","","","has coordinates","179466","2020-10-21","18:00:00",""
"4336400","6.1537","0.0012","6.3332","0.0013","8.5476","0.0017","90","","90.86","0.03","90","","333.08","0.12","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba2 H6 Mn O6 -","- Ba2 H6 Mn O6 -","- Ba4 H12 Mn2 O12 -","2","0.5","","W. Michael Chance; Daniel E. Bugaris; Athena S. Sefat; Hans-Conrad zur Loye","Crystal Growth of New Hexahydroxometallates Using a Hydroflux","Inorganic Chemistry","2013","52","","11723","11733","10.1021/ic400910g","","","0.71073","MoKα","","0.0205","0.0143","","","0.0333","0.0335","","","","","","1.18","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336401","6.0845","0.0012","6.2274","0.0012","8.4946","0.0017","90","","90.69","0.03","90","","321.84","0.11","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba2 Co H6 O6 -","- Ba2 Co H6 O6 -","- Ba4 Co2 H12 O12 -","2","0.5","","W. Michael Chance; Daniel E. Bugaris; Athena S. Sefat; Hans-Conrad zur Loye","Crystal Growth of New Hexahydroxometallates Using a Hydroflux","Inorganic Chemistry","2013","52","","11723","11733","10.1021/ic400910g","","","0.71073","MoKα","","0.0141","0.0126","","","0.0298","0.0304","","","","","","1.115","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336402","6.0341","0.0012","6.4384","0.0013","8.3844","0.0017","90","","92.51","0.03","90","","325.42","0.11","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba2 Cu H6 O6 -","- Ba2 Cu H6 O6 -","- Ba4 Cu2 H12 O12 -","2","0.5","","W. Michael Chance; Daniel E. Bugaris; Athena S. Sefat; Hans-Conrad zur Loye","Crystal Growth of New Hexahydroxometallates Using a Hydroflux","Inorganic Chemistry","2013","52","","11723","11733","10.1021/ic400910g","","","0.71073","MoKα","","0.0153","0.0141","","","0.033","0.0333","","","","","","1.105","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336403","6.084","0.0012","6.1806","0.0012","8.4429","0.0017","90","","90.68","0.03","90","","317.45","0.11","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Ba2 H6 Ni O6 -","- Ba2 H6 Ni O6 -","- Ba4 H12 Ni2 O12 -","2","0.5","","W. Michael Chance; Daniel E. Bugaris; Athena S. Sefat; Hans-Conrad zur Loye","Crystal Growth of New Hexahydroxometallates Using a Hydroflux","Inorganic Chemistry","2013","52","","11723","11733","10.1021/ic400910g","","","0.71073","MoKα","","0.0157","0.0145","","","0.0332","0.0338","","","","","","1.037","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336404","12.3326","0.001","19.5209","0.0016","18.926","0.0016","90","","108.313","0.004","90","","4325.6","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Ce6 N2 O46.5 -","- C10 H14 Ce6 N2 O46.5 -","- C40 H56 Ce24 N8 O186 -","4","1","","Christoph Hennig; Atsushi Ikeda-Ohno; Werner Kraus; Stephan Weiss; Philip Pattison; Hermann Emerich; Paula M. Abdala; Andreas C. Scheinost","Crystal Structure and Solution Species of Ce(III) and Ce(IV) Formates: From Mononuclear to Hexanuclear Complexes","Inorganic Chemistry","2013","52","","11734","11743","10.1021/ic400999j","","","0.71073","MoKα","","0.0604","0.0468","","","0.119","0.1245","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336405","12.3752","0.0017","26.152","0.003","15.698","0.003","90","","90","","90","","5080.4","1.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H14 Ce6 N12 O54 -","- C10 H14 Ce6 N12 O54 -","- C40 H56 Ce24 N48 O216 -","4","0.5","","Christoph Hennig; Atsushi Ikeda-Ohno; Werner Kraus; Stephan Weiss; Philip Pattison; Hermann Emerich; Paula M. Abdala; Andreas C. Scheinost","Crystal Structure and Solution Species of Ce(III) and Ce(IV) Formates: From Mononuclear to Hexanuclear Complexes","Inorganic Chemistry","2013","52","","11734","11743","10.1021/ic400999j","","","0.71073","MoKα","","0.0427","0.0347","","","0.1049","0.1116","","","","","","1.291","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336406","10.706","0.002","10.706","0.002","4.1205","0.0012","90","","90","","120","","409.01","0.16","296","2","296","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","","","","- C3 H3 Ce O6 -","- C3 H3 Ce O6 -","- C9 H9 Ce3 O18 -","3","0.166667","","Christoph Hennig; Atsushi Ikeda-Ohno; Werner Kraus; Stephan Weiss; Philip Pattison; Hermann Emerich; Paula M. Abdala; Andreas C. Scheinost","Crystal Structure and Solution Species of Ce(III) and Ce(IV) Formates: From Mononuclear to Hexanuclear Complexes","Inorganic Chemistry","2013","52","","11734","11743","10.1021/ic400999j","","","0.71073","MoKα","","0.0325","0.0325","","","0.0741","0.0741","","","","","","1.176","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336407","14.443","0.002","17.383","0.003","21.268","0.003","91.229","0.003","93.576","0.003","98.44","0.003","5269","1.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C71 H113 Fe7 Gd3 N29 O27 -","- C71 H99 Fe7 Gd3 N29 O27 -","- C142 H198 Fe14 Gd6 N58 O54 -","2","1","","Ghulam Abbas; Yanhua Lan; Valeriu Mereacre; Gernot Buth; Moulay T. Sagrati; Fernande Grandjean; Gary J. Long; Christopher E. Anson; Annie K. Powell","Synthesis, Magnetism, and 57Fe Mössbauer Spectroscopic Study of a Family of [Ln3Fe7] Coordination Clusters (Ln = Gd, Tb, and Er)","Inorganic Chemistry","2013","52","","11767","11777","10.1021/ic401011d","","","0.8","synchrotron","","0.1063","0.091","","","0.2329","0.2492","","","","","","1.051","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336408","14.1532","0.0002","17.1938","0.0004","21.1108","0.0004","90.405","0.002","92.299","0.001","98.269","0.001","5079.33","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65.5 H124 Cl Er3 Fe7 N22 O36 -","- C65.5 H103 Cl Er3 Fe7 N22 O36 -","- C131 H206 Cl2 Er6 Fe14 N44 O72 -","2","1","","Ghulam Abbas; Yanhua Lan; Valeriu Mereacre; Gernot Buth; Moulay T. Sagrati; Fernande Grandjean; Gary J. Long; Christopher E. Anson; Annie K. Powell","Synthesis, Magnetism, and 57Fe Mössbauer Spectroscopic Study of a Family of [Ln3Fe7] Coordination Clusters (Ln = Gd, Tb, and Er)","Inorganic Chemistry","2013","52","","11767","11777","10.1021/ic401011d","","","0.71073","MoKα","","0.0963","0.0661","","","0.1723","0.1863","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336409","7.475","0.005","21.747","0.005","9.689","0.005","90","0.005","111.622","0.005","90","0.005","1464.2","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H40 Cl2 N6 Ni2 O10 -","- C20 H40 Cl2 N6 Ni2 O10 -","- C40 H80 Cl4 N12 Ni4 O20 -","2","0.5","","Lakshmi Kanta Das; Apurba Biswas; Jared S. Kinyon; Naresh S. Dalal; Haidong Zhou; Ashutosh Ghosh","Di-, Tri-, and Tetranuclear Nickel(II) Complexes with Oximato Bridges: Magnetism and Catecholase-like Activity of Two Tetranuclear Complexes Possessing Rhombic Topology","Inorganic Chemistry","2013","52","","11744","11757","10.1021/ic401020m","","","0.71073","MoKα","","0.0453","0.0386","","","0.1082","0.1138","","","","","","1.052","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336410","12.2018","0.0003","14.4627","0.0004","16.0305","0.0007","105.075","0.002","95.379","0.002","113.578","0.001","2440.2","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H60 Cl4 N10 Ni3 O20 -","- C29 H60 Cl4 N10 Ni3 O20 -","- C58 H120 Cl8 N20 Ni6 O40 -","2","1","","Lakshmi Kanta Das; Apurba Biswas; Jared S. Kinyon; Naresh S. Dalal; Haidong Zhou; Ashutosh Ghosh","Di-, Tri-, and Tetranuclear Nickel(II) Complexes with Oximato Bridges: Magnetism and Catecholase-like Activity of Two Tetranuclear Complexes Possessing Rhombic Topology","Inorganic Chemistry","2013","52","","11744","11757","10.1021/ic401020m","","","0.71073","MoKα","","0.0963","0.0654","","","0.19","0.22","","","","","","1","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336411","14.866","0.005","10.451","0.005","17.251","0.005","90","","96.573","0.005","90","","2662.6","1.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H68 Cl2 N10 Ni4 O20 -","- C32 H68 Cl2 N10 Ni4 O19.92 -","- C64 H136 Cl4 N20 Ni8 O39.84 -","2","0.5","","Lakshmi Kanta Das; Apurba Biswas; Jared S. Kinyon; Naresh S. Dalal; Haidong Zhou; Ashutosh Ghosh","Di-, Tri-, and Tetranuclear Nickel(II) Complexes with Oximato Bridges: Magnetism and Catecholase-like Activity of Two Tetranuclear Complexes Possessing Rhombic Topology","Inorganic Chemistry","2013","52","","11744","11757","10.1021/ic401020m","","","0.71073","MoKα","","0.0701","0.0493","","","0.1332","0.1485","","","","","","1.042","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336412","22.956","0.005","11.086","0.005","21.845","0.005","90","","110.44","0.005","90","","5209","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H63 Cl2 N11 Ni4 O18 -","- C32 H63 Cl2 N11 Ni4 O17.92 -","- C128 H252 Cl8 N44 Ni16 O71.68 -","4","0.5","","Lakshmi Kanta Das; Apurba Biswas; Jared S. Kinyon; Naresh S. Dalal; Haidong Zhou; Ashutosh Ghosh","Di-, Tri-, and Tetranuclear Nickel(II) Complexes with Oximato Bridges: Magnetism and Catecholase-like Activity of Two Tetranuclear Complexes Possessing Rhombic Topology","Inorganic Chemistry","2013","52","","11744","11757","10.1021/ic401020m","","","0.71073","MoKα","","0.1034","0.0787","","","0.1921","0.2153","","","","","","0.966","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336413","8.8332","0.0002","9.9439","0.0002","13.8786","0.0003","78.2203","0.0008","76.8323","0.0008","84.2275","0.001","1160.13","0.04","295","","295","","","","","","","","","6","P 1","P 1","1","","","","- C18 H29 Cl2 Fe N4 O8 -","- C18 H19 Cl2 Fe N4 O8 -","- C36 H38 Cl4 Fe2 N8 O16 -","2","2","","Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia","Iron and Manganese Pyridoxal-Based Complexes as Fluorescent Probes for Nitrite and Nitrate Anions in Aqueous Solution","Inorganic Chemistry","2013","52","","11778","11786","10.1021/ic401055k","","","0.71073","MoKα","","0.0706","0.0609","","","0.1869","0.201","","","","","","1.072","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336414","7.7911","0.0002","17.2678","0.0005","8.2311","0.0003","90","","108.603","0.0015","90","","1049.51","0.06","295","","295","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H24 Mn N5 O7 -","- C19 H24 Mn N5 O7 -","- C38 H48 Mn2 N10 O14 -","2","0.5","","Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia","Iron and Manganese Pyridoxal-Based Complexes as Fluorescent Probes for Nitrite and Nitrate Anions in Aqueous Solution","Inorganic Chemistry","2013","52","","11778","11786","10.1021/ic401055k","","","0.71073","MoKα","","0.0639","0.0423","","","0.1051","0.1152","","","","","","1.048","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336415","8.7425","0.0002","8.7874","0.0002","14.5986","0.0005","80.07","0.001","74.3063","0.0009","71.5574","0.0018","1019.61","0.05","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Mn N5 O8 -","- C18 H22 Mn N5 O8 -","- C36 H44 Mn2 N10 O16 -","2","1","","Maria Strianese; Stefano Milione; Valerio Bertolasi; Claudio Pellecchia","Iron and Manganese Pyridoxal-Based Complexes as Fluorescent Probes for Nitrite and Nitrate Anions in Aqueous Solution","Inorganic Chemistry","2013","52","","11778","11786","10.1021/ic401055k","","","0.71073","MoKα","","0.0664","0.0434","","","0.105","0.1147","","","","","","1.034","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336416","13.118","0.004","13.922","0.005","17.106","0.005","112.018","0.005","96.288","0.006","107.016","0.005","2683.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.5 H65 Ca N2 O4 -","- C60.5 H63.5 Ca N2 O4 -","- C121 H127 Ca2 N4 O8 -","2","1","","Wei Yi; Haiyan Ma","Magnesium and Calcium Complexes Containing Biphenyl-Based Tridentate Iminophenolate Ligands for Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2013","52","","11821","11835","10.1021/ic4012668","","","0.71073","MoKα","","0.2089","0.0918","","","0.2405","0.2983","","","","","","0.85","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336417","13.546","0.01","17.057","0.013","17.275","0.012","90","","96.899","0.012","90","","3963","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 Mg N2 O2 Si2 -","- C38 H52 Mg N2 O2 Si2 -","- C152 H208 Mg4 N8 O8 Si8 -","4","1","","Wei Yi; Haiyan Ma","Magnesium and Calcium Complexes Containing Biphenyl-Based Tridentate Iminophenolate Ligands for Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2013","52","","11821","11835","10.1021/ic4012668","","","0.71073","MoKα","","0.1967","0.0794","","","0.1984","0.2392","","","","","","0.81","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336418","9.4272","0.0008","12.9769","0.001","17.2741","0.0014","100.008","0.002","99.012","0.002","96.196","0.002","2035.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H52 Mg N2 O3 Si2 -","- C35 H52 Mg N2 O3 Si2 -","- C70 H104 Mg2 N4 O6 Si4 -","2","1","","Wei Yi; Haiyan Ma","Magnesium and Calcium Complexes Containing Biphenyl-Based Tridentate Iminophenolate Ligands for Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2013","52","","11821","11835","10.1021/ic4012668","","","0.71073","MoKα","","0.0955","0.0578","","","0.15","0.1671","","","","","","0.939","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336419","12.8011","0.0019","13.056","0.002","15.255","0.002","66.387","0.002","74.955","0.003","61.162","0.003","2039.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H56.5 Mg N3 O2 Si2 -","- C39.5 H56.5 Mg N3 O2 Si2 -","- C79 H113 Mg2 N6 O4 Si4 -","2","1","","Wei Yi; Haiyan Ma","Magnesium and Calcium Complexes Containing Biphenyl-Based Tridentate Iminophenolate Ligands for Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2013","52","","11821","11835","10.1021/ic4012668","","","0.71073","MoKα","","0.1256","0.062","","","0.1491","0.1797","","","","","","0.951","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336420","16.8799","0.001","13.7086","0.0008","29.2964","0.0017","90","","101.563","0.001","90","","6641.6","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H82 Cl2 Mg2 N4 O4 Si4 -","- C60 H82 Cl2 Mg2 N4 O4 Si4 -","- C240 H328 Cl8 Mg8 N16 O16 Si16 -","4","1","","Wei Yi; Haiyan Ma","Magnesium and Calcium Complexes Containing Biphenyl-Based Tridentate Iminophenolate Ligands for Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2013","52","","11821","11835","10.1021/ic4012668","","","0.71073","MoKα","","0.1046","0.0559","","","0.1352","0.1597","","","","","","1.018","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336421","17.023","0.002","13.7491","0.0018","29.338","0.004","90","","101.93","0.002","90","","6718.3","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H82 Br2 Mg2 N4 O4 Si4 -","- C60 H81.4 Br2 Mg2 N4 O4 Si4 -","- C240 H325.6 Br8 Mg8 N16 O16 Si16 -","4","1","","Wei Yi; Haiyan Ma","Magnesium and Calcium Complexes Containing Biphenyl-Based Tridentate Iminophenolate Ligands for Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2013","52","","11821","11835","10.1021/ic4012668","","","0.71073","MoKα","","0.1767","0.0611","","","0.1389","0.1913","","","","","","0.965","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336422","5.58762","0.00016","8.45679","0.00027","6.52132","0.00023","90","","90","","90","","308.154","0.017","298","","298","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cr Mn O4 -","- Cr Mn O4 -","- Cr4 Mn4 O16 -","4","0.25","","Vladimir B. Nalbandyan; Elena A. Zvereva; Galina E. Yalovega; Igor L. Shukaev; Anastasiya P. Ryzhakova; Alexander A. Guda; Alessandro Stroppa; Silvia Picozzi; Alexander N. Vasiliev; Myung-Hwan Whangbo","Synthesis and Characterization of MnCrO4, a New Mixed-Valence Antiferromagnet","Inorganic Chemistry","2013","52","","11850","11858","10.1021/ic401391b","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.10136","","1.23","","","","","","","has coordinates,has Fobs","179467","2020-10-21","18:00:00",""
"4336423","8.568","0.002","20.405","0.005","19.616","0.006","90","","97.86","0.01","90","","3397.2","1.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 B P -","- C42 H40 B P -","- C168 H160 B4 P4 -","4","1","","Jens Beckmann; Emanuel Hupf; Enno Lork; Stefan Mebs","Peri-Substituted (Ace)Naphthylphosphinoboranes. (Frustrated) Lewis Pairs","Inorganic Chemistry","2013","52","","11881","11888","10.1021/ic401406k","","","0.71073","MoKα","","0.0755","0.05","","","0.1179","0.1349","","","","","","1.034","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336424","10.073","0.004","27.77","0.006","11.379","0.002","90","","95.11","0.02","90","","3170.4","1.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 B P -","- C40 H38 B P -","- C160 H152 B4 P4 -","4","1","","Jens Beckmann; Emanuel Hupf; Enno Lork; Stefan Mebs","Peri-Substituted (Ace)Naphthylphosphinoboranes. (Frustrated) Lewis Pairs","Inorganic Chemistry","2013","52","","11881","11888","10.1021/ic401406k","","","0.71073","MoKα","","0.077","0.0565","","","0.1469","0.1632","","","","","","1.042","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336425","8.7168","0.0003","15.3336","0.0006","16.8358","0.0007","85.049","0.003","89.833","0.003","85.877","0.003","2236.06","0.15","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 Br2 Fe N5 -","- C21 H25 Br2 Fe N5 -","- C84 H100 Br8 Fe4 N20 -","4","2","","Michaela Grau; Jason England; Rafael Torres Martin de Rosales; Henry S. Rzepa; Andrew J. P. White; George J. P. Britovsek","Coordination Equilibria Between Seven- and Five-coordinate Iron(II) Complexes","Inorganic Chemistry","2013","52","","11867","11874","10.1021/ic401416h","","","0.71073","MoKα","","0.0947","0.0413","","","0.0767","0.0847","","","","","","0.91","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336426","18.3004","0.0002","12.48519","0.00017","13.43464","0.00016","90","","90.6391","0.0011","90","","3069.41","0.06","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Cl2 Fe N7 O8 -","- C25 H31 Cl2 Fe N7 O8 -","- C100 H124 Cl8 Fe4 N28 O32 -","4","1","","Michaela Grau; Jason England; Rafael Torres Martin de Rosales; Henry S. Rzepa; Andrew J. P. White; George J. P. Britovsek","Coordination Equilibria Between Seven- and Five-coordinate Iron(II) Complexes","Inorganic Chemistry","2013","52","","11867","11874","10.1021/ic401416h","","","0.71073","MoKα","","0.0496","0.0405","","","0.1054","0.1113","","","","","","1.077","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336427","22.4112","0.0009","10.5689","0.0002","15.0745","0.0006","90","","129.267","0.006","90","","2764.4","0.3","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 F6 Fe N5 O6 S2 -","- C23 H25 F6 Fe N5 O6 S2 -","- C92 H100 F24 Fe4 N20 O24 S8 -","4","0.5","","Michaela Grau; Jason England; Rafael Torres Martin de Rosales; Henry S. Rzepa; Andrew J. P. White; George J. P. Britovsek","Coordination Equilibria Between Seven- and Five-coordinate Iron(II) Complexes","Inorganic Chemistry","2013","52","","11867","11874","10.1021/ic401416h","","","0.71073","MoKα","","0.0547","0.0526","","","0.1377","0.1409","","","","","","1.126","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336428","23.6314","0.0013","8.1301","0.0009","21.381","0.004","90","","90","","90","","4107.8","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H48 N8 Ni2 O2 -","- C42 H48 N8 Ni2 O2 -","- C168 H192 N32 Ni8 O8 -","4","1","","Alexander G. Tskhovrebov; Euro Solari; Rosario Scopelliti; Kay Severin","Insertion of Zerovalent Nickel into the N-N Bond of N-Heterocyclic-Carbene-Activated N2O","Inorganic Chemistry","2013","52","","11688","11690","10.1021/ic401524w","","","0.71073","MoKα","","0.0405","0.0311","","","0.0557","0.0593","","","","","","1.084","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336429","10.137","0.003","9.393","0.0016","13.106","0.003","90","","103.63","0.02","90","","1212.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 N8 Ni2 O2 -","- C18 H32 N8 Ni2 O2 -","- C36 H64 N16 Ni4 O4 -","2","0.5","","Alexander G. Tskhovrebov; Euro Solari; Rosario Scopelliti; Kay Severin","Insertion of Zerovalent Nickel into the N-N Bond of N-Heterocyclic-Carbene-Activated N2O","Inorganic Chemistry","2013","52","","11688","11690","10.1021/ic401524w","","","0.71073","MoKα","","0.1011","0.0782","","","0.2002","0.2159","","","","","","1.233","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336430","11.718","0.003","14.693","0.003","12.573","0.002","90","","100.832","0.011","90","","2126.2","0.8","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 Cl2 N8 Ni2 O2 -","- C42 H50 Cl2 N8 Ni2 O2 -","- C84 H100 Cl4 N16 Ni4 O4 -","2","0.5","","Alexander G. Tskhovrebov; Euro Solari; Rosario Scopelliti; Kay Severin","Insertion of Zerovalent Nickel into the N-N Bond of N-Heterocyclic-Carbene-Activated N2O","Inorganic Chemistry","2013","52","","11688","11690","10.1021/ic401524w","","","0.71073","MoKα","","0.0708","0.0533","","","0.1466","0.1701","","","","","","1.129","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336431","14.3917","0.0004","20.0428","0.0006","25.2108","0.0006","90","","120.253","0.001","90","","6281.7","0.3","115","2","115","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67.84 H65.68 Cl4 Fe P4 Pd -","- C67.84 H65.68 Cl4 Fe P4 Pd -","- C271.36 H262.72 Cl16 Fe4 P16 Pd4 -","4","1","","Veronika A. Zinovyeva; Sophal Mom; Sophie Fournier; Charles H. Devillers; Hélène Cattey; Henri Doucet; Jean-Cyrille Hierso; Dominique Lucas","Kinetic and Electrochemical Studies of the Oxidative Addition of Demanding Organic Halides to Pd(0): the Efficiency of Polyphosphane Ligands in Low Palladium Loading Cross-Couplings Decrypted","Inorganic Chemistry","2013","52","","11923","11933","10.1021/ic401613w","","","0.71073","MoKα","","0.0675","0.0631","","","0.1399","0.1424","","","","","","1.196","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336432","11.6914","0.0005","11.8134","0.0005","20.2545","0.0008","97.992","0.002","102.438","0.002","90.994","0.002","2702","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H61 Cl3 Mn4 N4 O22 -","- C38 H49 Cl3 Mn4 N4 O18 -","- C76 H98 Cl6 Mn8 N8 O36 -","2","1","","Nadia Marino; Donatella Armentano; Teresa F. Mastropietro; Miguel Julve; Giovanni De Munno; José Martínez-Lillo","Cubane-Type CuII4 and MnII2MnIII2 Complexes Based on Pyridoxine: A Versatile Ligand for Metal Assembling","Inorganic Chemistry","2013","52","","11934","11943","10.1021/ic4016355","","","0.71073","MoKα","","0.0649","0.0459","","","0.1305","0.1375","","","","","","1.073","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336433","31.315","0.002","13.7554","0.0008","17.9847","0.0008","90","","90","","90","","7746.9","0.8","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C32 H44 Cl4 Cu4 N4 O14 -","- C32 H44 Cl4 Cu4 N4 O14 -","- C256 H352 Cl32 Cu32 N32 O112 -","8","0.5","","Nadia Marino; Donatella Armentano; Teresa F. Mastropietro; Miguel Julve; Giovanni De Munno; José Martínez-Lillo","Cubane-Type CuII4 and MnII2MnIII2 Complexes Based on Pyridoxine: A Versatile Ligand for Metal Assembling","Inorganic Chemistry","2013","52","","11934","11943","10.1021/ic4016355","","","0.71073","MoKα","","0.0453","0.0343","","","0.0805","0.0854","","","","","","1.055","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336434","20.282","0.0009","8.425","0.0004","40.1465","0.0018","90","","91.21","0.003","90","","6858.5","0.5","113","1","113","1","","","","","","","see text","7","P 1 2/c 1","-P 2yc","13","LaineSuperU06_2013","[(ttpy)Ru(tpy-Q-ph)]3(PF6)","","- C73.75 H47 F18 N8 O2.5 P3 Ru -","- C73.54 H47 F18 N8 O2.5 P3 Ru -","- C294.16 H188 F72 N32 O10 P12 Ru4 -","4","1","","Jérôme Fortage; Grégory Dupeyre; Fabien Tuyèras; Valérie Marvaud; Philippe Ochsenbein; Ilaria Ciofini; Magdaléna Hromadová; Lubomír Pospísil; Antonino Arrigo; Emanuela Trovato; Fausto Puntoriero; Philippe P. Lainé; Sebastiano Campagna","Molecular Dyads of Ruthenium(II)- or Osmium(II)-Bis(terpyridine) Chromophores and Expanded Pyridinium Acceptors: Equilibration between MLCT and Charge-Separated Excited States","Inorganic Chemistry","2013","52","","11944","11955","10.1021/ic401639g","","x-ray","1.54178","CuKα","","0.1233","0.0988","","","0.2224","0.2293","","","","","","2.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336435","24.962","0.005","15.241","0.005","27.609","0.005","90","0.005","90","0.005","90","0.005","10504","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C92 H110 Cl6 Dy4 N12 O28 -","- C92 H110 Cl6 Dy4 N12 O28 -","- C368 H440 Cl24 Dy16 N48 O112 -","4","0.5","","Vadapalli Chandrasekhar; Sourav Das; Atanu Dey; Sakiat Hossain; Jean-Pascal Sutter","Tetranuclear Lanthanide (III) Complexes Containing Dimeric Subunits: Single-Molecule Magnet Behavior for the Dy4 Analogue","Inorganic Chemistry","2013","52","","11956","11965","10.1021/ic401652f","","","0.71069","MoKα","","0.0679","0.0464","","","0.1128","0.1257","","","","","","1.049","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336436","25.0177","0.0009","15.6762","0.0006","27.819","0.0011","90","","90","","90","","10910.1","0.7","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C92 H110 Cl6 N12 O28 Tb4 -","- C92 H110 Cl6 N12 O28 Tb4 -","- C368 H440 Cl24 N48 O112 Tb16 -","4","0.5","","Vadapalli Chandrasekhar; Sourav Das; Atanu Dey; Sakiat Hossain; Jean-Pascal Sutter","Tetranuclear Lanthanide (III) Complexes Containing Dimeric Subunits: Single-Molecule Magnet Behavior for the Dy4 Analogue","Inorganic Chemistry","2013","52","","11956","11965","10.1021/ic401652f","","","0.71073","MoKα","","0.0774","0.0402","","","0.0858","0.1039","","","","","","1.051","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336437","25.25","0.004","15.664","0.002","27.906","0.004","90","","90","","90","","11037","3","273","2","273","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C92 H110 Cl6 Gd4 N12 O28 -","- C92 H110 Cl6 Gd4 N12 O28 -","- C368 H440 Cl24 Gd16 N48 O112 -","4","0.5","","Vadapalli Chandrasekhar; Sourav Das; Atanu Dey; Sakiat Hossain; Jean-Pascal Sutter","Tetranuclear Lanthanide (III) Complexes Containing Dimeric Subunits: Single-Molecule Magnet Behavior for the Dy4 Analogue","Inorganic Chemistry","2013","52","","11956","11965","10.1021/ic401652f","","","0.71073","MoKα","","0.1179","0.0492","","","0.0887","0.1085","","","","","","0.998","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336438","21.157","0.003","14.06","0.002","28.02","0.004","90","","91.294","0.002","90","","8333","2","172","","172","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C89.5 H88.5 Fe4 N O5 P2 S7 -","- C89.5 H82 Fe4 N O5 P2 S7 -","- C358 H328 Fe16 N4 O20 P8 S28 -","4","1","","Tamaki Terada; Kiyohisa Hirabayashi; Dong Liu; Tomohiko Nakamura; Takuya Wakimoto; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","[3:1] Site-Differentiated [4Fe-4S] Clusters Having One Carboxylate and Three Thiolates","Inorganic Chemistry","2013","52","","11997","12004","10.1021/ic4017596","","","0.7107","MoKα","","","0.0781","","","","0.2678","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336439","21.208","0.003","14.108","0.002","28.139","0.004","90","","90.578","0.003","90","","8419","2","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90.5 H86.5 Fe4 N O5 P2 S7 -","- C90.5 H83 Fe4 N O5 P2 S7 -","- C362 H332 Fe16 N4 O20 P8 S28 -","4","1","","Tamaki Terada; Kiyohisa Hirabayashi; Dong Liu; Tomohiko Nakamura; Takuya Wakimoto; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","[3:1] Site-Differentiated [4Fe-4S] Clusters Having One Carboxylate and Three Thiolates","Inorganic Chemistry","2013","52","","11997","12004","10.1021/ic4017596","","","0.7107","MoKα","","","0.0553","","","","0.1647","","","","","","1.186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336440","21.004","0.005","12.963","0.003","34.035","0.008","90","","105.483","0.004","90","","8931","4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H96 Fe4 N2 O9 P2 S7 -","- C94 H81 Fe4 N2 O9 P2 S7 -","- C376 H324 Fe16 N8 O36 P8 S28 -","4","1","","Tamaki Terada; Kiyohisa Hirabayashi; Dong Liu; Tomohiko Nakamura; Takuya Wakimoto; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","[3:1] Site-Differentiated [4Fe-4S] Clusters Having One Carboxylate and Three Thiolates","Inorganic Chemistry","2013","52","","11997","12004","10.1021/ic4017596","","","0.71075","MoKα","","","0.1105","","","","0.3278","","","","","","1.049","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336441","13.033","0.002","25.109","0.004","25.071","0.004","90","","91.042","0.004","90","","8203","2","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H84 Fe4 O6 P2 S7 -","- C91 H84 Fe4 O6 P2 S7 -","- C364 H336 Fe16 O24 P8 S28 -","4","1","","Tamaki Terada; Kiyohisa Hirabayashi; Dong Liu; Tomohiko Nakamura; Takuya Wakimoto; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","[3:1] Site-Differentiated [4Fe-4S] Clusters Having One Carboxylate and Three Thiolates","Inorganic Chemistry","2013","52","","11997","12004","10.1021/ic4017596","","","0.71075","MoKα","","","0.0866","","","","0.2866","","","","","","1.049","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336442","30","0.004","13.0368","0.0015","23.319","0.003","90","","111.725","0.001","90","","8472.4","1.8","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C91 H86 Fe4 N2 O5 P2 S7 -","- C91 H83 Fe4 N2 O5 P2 S7 -","- C364 H332 Fe16 N8 O20 P8 S28 -","4","1","","Tamaki Terada; Kiyohisa Hirabayashi; Dong Liu; Tomohiko Nakamura; Takuya Wakimoto; Tsuyoshi Matsumoto; Kazuyuki Tatsumi","[3:1] Site-Differentiated [4Fe-4S] Clusters Having One Carboxylate and Three Thiolates","Inorganic Chemistry","2013","52","","11997","12004","10.1021/ic4017596","","","0.7107","MoKα","","","0.0721","","","","0.241","","","","","","1.059","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336443","8.9663","0.0002","14.4518","0.0004","17.9228","0.0004","90","","94.94","0.002","90","","2313.79","0.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H41 Li N4 -","- C21 H41 Li N4 -","- C84 H164 Li4 N16 -","4","1","","David R. Armstrong; Matthew G. Davidson; Daniel Garcia-Vivo; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson","Monomerizing Alkali-Metal 3,5-Dimethylbenzyl Salts with Tris(N,N-dimethyl-2-aminoethyl)amine (Me6TREN): Structural and Bonding Implications","Inorganic Chemistry","2013","52","","12023","12032","10.1021/ic401777x","","","0.71073","MoKα","","0.0703","0.0496","","","0.1195","0.1321","","","","","","1.036","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336444","17.9051","0.0011","8.6147","0.0005","16.4284","0.001","90","","112.51","0.007","90","","2341","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 N4 Na -","- C21 H41 N4 Na -","- C84 H164 N16 Na4 -","4","1","","David R. Armstrong; Matthew G. Davidson; Daniel Garcia-Vivo; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson","Monomerizing Alkali-Metal 3,5-Dimethylbenzyl Salts with Tris(N,N-dimethyl-2-aminoethyl)amine (Me6TREN): Structural and Bonding Implications","Inorganic Chemistry","2013","52","","12023","12032","10.1021/ic401777x","","","0.71073","MoKα","","0.0674","0.0466","","","0.1088","0.1199","","","","","","1.02","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336445","14.6238","0.0011","9.8408","0.0005","16.5207","0.0012","90","","91.459","0.008","90","","2376.7","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H41 K N4 -","- C21 H41 K N4 -","- C84 H164 K4 N16 -","4","1","","David R. Armstrong; Matthew G. Davidson; Daniel Garcia-Vivo; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson","Monomerizing Alkali-Metal 3,5-Dimethylbenzyl Salts with Tris(N,N-dimethyl-2-aminoethyl)amine (Me6TREN): Structural and Bonding Implications","Inorganic Chemistry","2013","52","","12023","12032","10.1021/ic401777x","","","0.71073","MoKα","","0.1245","0.0901","","","0.2298","0.2625","","","","","","1.043","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336446","10.0741","0.0002","38.7606","0.0008","16.8231","0.0004","90","","96.123","0.002","90","","6531.6","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H55 K N4 Zn -","- C27.019 H55 K N4 Zn -","- C216.152 H440 K8 N32 Zn8 -","8","2","","David R. Armstrong; Matthew G. Davidson; Daniel Garcia-Vivo; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson","Monomerizing Alkali-Metal 3,5-Dimethylbenzyl Salts with Tris(N,N-dimethyl-2-aminoethyl)amine (Me6TREN): Structural and Bonding Implications","Inorganic Chemistry","2013","52","","12023","12032","10.1021/ic401777x","","","0.71073","MoKα","","0.0887","0.0567","","","0.0968","0.1078","","","","","","1.05","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336447","11.872","0.005","10.065","0.005","10.672","0.005","90","0.005","92.335","0.005","90","0.005","1274.2","1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Fe N -","- C17 H13 Fe N -","- C68 H52 Fe4 N4 -","4","1","","Hakikulla H. Shah; Rayya A. Al-Balushi; Mohammed K. Al-Suti; Muhammad S. Khan; Christopher H. Woodall; Anna L. Sudlow; Paul R. Raithby; Gabriele Kociok-Köhn; Kieran C. Molloy; Frank Marken","New Multi-Ferrocenyl- and Multi-Ferricenyl- Materials via Coordination-Driven Self-Assembly and via Charge-Driven Electro-Crystallization","Inorganic Chemistry","2013","52","","12012","12022","10.1021/ic401803p","","","0.7107","MoKα","","0.0561","0.0447","","","0.117","0.125","","","","","","1.035","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336448","25.2705","0.0007","9.8792","0.0002","31.8663","0.0008","90","","111.97","0.003","90","","7377.8","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H54 Cl6 Cu4 Fe4 I4 N4 -","- C70 H54 Cl6 Cu4 Fe4 I4 N4 -","- C280 H216 Cl24 Cu16 Fe16 I16 N16 -","4","0.5","","Hakikulla H. Shah; Rayya A. Al-Balushi; Mohammed K. Al-Suti; Muhammad S. Khan; Christopher H. Woodall; Anna L. Sudlow; Paul R. Raithby; Gabriele Kociok-Köhn; Kieran C. Molloy; Frank Marken","New Multi-Ferrocenyl- and Multi-Ferricenyl- Materials via Coordination-Driven Self-Assembly and via Charge-Driven Electro-Crystallization","Inorganic Chemistry","2013","52","","12012","12022","10.1021/ic401803p","","","0.71073","MoKα","","0.0665","0.0388","","","0.1094","0.1281","","","","","","0.85","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336449","9.8408","0.0002","13.3736","0.0003","23.7742","0.0005","105.158","0.001","92.748","0.001","94.484","0.001","3003.14","0.11","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68.3 H52.6 Br2 Cl0.6 Cu2 Fe4 N4 -","- C68.3 H52.6 Br2 Cl0.6 Cu2 Fe4 N4 -","- C136.6 H105.2 Br4 Cl1.2 Cu4 Fe8 N8 -","2","1","","Hakikulla H. Shah; Rayya A. Al-Balushi; Mohammed K. Al-Suti; Muhammad S. Khan; Christopher H. Woodall; Anna L. Sudlow; Paul R. Raithby; Gabriele Kociok-Köhn; Kieran C. Molloy; Frank Marken","New Multi-Ferrocenyl- and Multi-Ferricenyl- Materials via Coordination-Driven Self-Assembly and via Charge-Driven Electro-Crystallization","Inorganic Chemistry","2013","52","","12012","12022","10.1021/ic401803p","","","0.71073","MoKα","","0.1129","0.0953","","","0.2737","0.2938","","","","","","1.021","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336450","13.8768","0.0006","14.4297","0.0006","19.9504","0.0007","75.6","0.001","76.109","0.001","71.623","0.001","3614.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Bi I6 N3 O4.25 -","- C32 H22 Bi I6 N3 O4.25 -","- C128 H88 Bi4 I24 N12 O17 -","4","2","","Pauline J. Han; Arnold L. Rheingold; William C. Trogler","Luminescent Tris(8-hydroxyquinolates) of Bismuth(III)","Inorganic Chemistry","2013","52","","12033","12045","10.1021/ic401850v","","","0.71073","MoKα","","0.0495","0.0362","","","0.091","0.0982","","","","","","1.031","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336451","12.6366","0.0007","14.5777","0.0007","18.8823","0.001","87.431","0.002","88.934","0.002","74.979","0.002","3356","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H30 Bi2 Cl12 I6 N6 O6 -","- C57 H30 Bi2 Cl12 I6 N6 O6 -","- C114 H60 Bi4 Cl24 I12 N12 O12 -","2","1","","Pauline J. Han; Arnold L. Rheingold; William C. Trogler","Luminescent Tris(8-hydroxyquinolates) of Bismuth(III)","Inorganic Chemistry","2013","52","","12033","12045","10.1021/ic401850v","","","0.71073","MoKα","","0.0413","0.0285","","","0.0604","0.0652","","","","","","1.031","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336452","40.5434","0.0017","40.5434","0.0017","11.0916","0.0004","90","","90","","120","","15789.4","1.1","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C31 H23 Bi Br3 N3 O4 -","- C31 H23 Bi Br3 N3 O4 -","- C558 H414 Bi18 Br54 N54 O72 -","18","1","","Pauline J. Han; Arnold L. Rheingold; William C. Trogler","Luminescent Tris(8-hydroxyquinolates) of Bismuth(III)","Inorganic Chemistry","2013","52","","12033","12045","10.1021/ic401850v","","","0.71073","MoKα","","0.0407","0.033","","","0.0812","0.0843","","","","","","1.032","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336453","16.6906","0.0006","15.6114","0.0006","14.9353","0.0006","90","","97.527","0.001","90","","3858.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Bi N3 O9 -","- C42 H48 Bi N3 O9 -","- C168 H192 Bi4 N12 O36 -","4","1","","Pauline J. Han; Arnold L. Rheingold; William C. Trogler","Luminescent Tris(8-hydroxyquinolates) of Bismuth(III)","Inorganic Chemistry","2013","52","","12033","12045","10.1021/ic401850v","","","0.71073","MoKα","","0.0407","0.0288","","","0.0619","0.0667","","","","","","1.036","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336454","12.36","0.002","15.926","0.003","16.503","0.003","111.787","0.006","107.069","0.007","95.822","0.007","2801.5","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H66 Bi I3 N6 O13 S3 -","- C47 H66 Bi I3 N6 O13 S3 -","- C94 H132 Bi2 I6 N12 O26 S6 -","2","1","","Pauline J. Han; Arnold L. Rheingold; William C. Trogler","Luminescent Tris(8-hydroxyquinolates) of Bismuth(III)","Inorganic Chemistry","2013","52","","12033","12045","10.1021/ic401850v","","","0.71073","MoKα","","0.0424","0.0306","","","0.0607","0.0647","","","","","","1.028","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336455","16.0749","0.0008","16.0749","0.0008","9.5003","0.0005","90","","90","","90","","2454.9","0.2","100","2","100","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- Ba7 O0.5 S12.5 U V2 -","- Ba7 O0.5 S12.5 U V2 -","- Ba28 O2 S50 U4 V8 -","4","0.125","","Adel Mesbah; Wojciech Stojko; Christos D. Malliakas; Sébastien Lebègue; Nicolas Clavier; James A. Ibers","The Flexible Ba7UM2S12.5O0.5 (M = V, Fe) Compounds: Syntheses, Structures and Spectroscopic, Resistivity, and Electronic Properties","Inorganic Chemistry","2013","52","","12057","12063","10.1021/ic401871x","","","0.71073","MoKα","","0.0214","0.0184","","","0.0522","0.0527","","","","","","1.825","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336456","15.875","0.0004","15.875","0.0004","9.6296","0.0002","90","","90","","90","","2426.81","0.1","100","2","100","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Ba7 Fe2 O0.5 S12.5 U -","- Ba7 Fe2 O0.5 S12.5 U -","- Ba28 Fe8 O2 S50 U4 -","4","0.25","","Adel Mesbah; Wojciech Stojko; Christos D. Malliakas; Sébastien Lebègue; Nicolas Clavier; James A. Ibers","The Flexible Ba7UM2S12.5O0.5 (M = V, Fe) Compounds: Syntheses, Structures and Spectroscopic, Resistivity, and Electronic Properties","Inorganic Chemistry","2013","52","","12057","12063","10.1021/ic401871x","","","0.71073","MoKα","","0.0139","0.0123","","","0.0317","0.0322","","","","","","2.225","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336457","15.9437","0.0003","15.9437","0.0003","9.6535","0.0002","90","","90","","90","","2453.93","0.08","360","2","360","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Ba7 Fe2 O0.5 S12.5 U -","- Ba7 Fe2 O0.5 S12.5 U -","- Ba28 Fe8 O2 S50 U4 -","4","0.25","","Adel Mesbah; Wojciech Stojko; Christos D. Malliakas; Sébastien Lebègue; Nicolas Clavier; James A. Ibers","The Flexible Ba7UM2S12.5O0.5 (M = V, Fe) Compounds: Syntheses, Structures and Spectroscopic, Resistivity, and Electronic Properties","Inorganic Chemistry","2013","52","","12057","12063","10.1021/ic401871x","","","0.71073","MoKα","","0.0209","0.0176","","","0.0437","0.0446","","","","","","1.559","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336458","33.7355","0.0011","33.7355","0.0011","17.8948","0.0007","90","","90","","120","","17637.3","1.1","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C96 H141 Mn12 N9 O42 -","- C96 H141 Mn12 N9 O42 -","- C576 H846 Mn72 N54 O252 -","6","0.333333","","Sotiris Zartilas; Constantina Papatriantafyllopoulou; Theocharis C. Stamatatos; Vassilios Nastopoulos; Eduard Cremades; Eliseo Ruiz; George Christou; Christos Lampropoulos; Anastasios J. Tasiopoulos","A MnII6MnIII6 Single-Strand Molecular Wheel with a Reuleaux Triangular Topology: Synthesis, Structure, Magnetism, and DFT Studies","Inorganic Chemistry","2013","52","","12070","12079","10.1021/ic401872c","","","0.71073","MoKα","","0.0663","0.0385","","","0.0639","0.0792","","","","","","1.087","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336459","11.5656","0.0011","11.5662","0.0011","16.346","0.002","90","","90.444","0.003","90","","2186.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Fe3 O18 -","- C12 H6 Fe3 O18 -","- C48 H24 Fe12 O72 -","4","0.5","","Soumyabrata Goswami; Amit Adhikary; Himanshu Sekhar Jena; Soumava Biswas; Sanjit Konar","A 3D Iron(II)-Based MOF with Squashed Cuboctahedral Nanoscopic Cages Showing Spin-Canted Long-Range Antiferromagnetic Ordering","Inorganic Chemistry","2013","52","","12064","12069","10.1021/ic401886f","","","0.71073","MoKα","","0.0945","0.0902","","","0.2458","0.2488","","","","","","1.151","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336460","31.6766","0.0018","11.6863","0.0007","22.6325","0.0013","90","","107.206","0.001","90","","8003.2","0.8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H56 Cl O P2 Rh Si -","- C42.5 H56 Cl O P2 Rh Si -","- C340 H448 Cl8 O8 P16 Rh8 Si8 -","8","1","","Miguel A. Esteruelas; Montserrat Oliván; Andrea Vélez","POP-Pincer Silyl Complexes of Group 9: Rhodium versus Iridium","Inorganic Chemistry","2013","52","","12108","12119","10.1021/ic401931y","","","0.71073","MoKα","","0.0697","0.0471","","","0.1092","0.1203","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336461","38.867","0.003","9.4817","0.0008","18.9847","0.0016","90","","90.558","0.001","90","","6996","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H56 Cl Ir O P2 Si -","- C33 H56 Cl Ir O P2 Si -","- C264 H448 Cl8 Ir8 O8 P16 Si8 -","8","1","","Miguel A. Esteruelas; Montserrat Oliván; Andrea Vélez","POP-Pincer Silyl Complexes of Group 9: Rhodium versus Iridium","Inorganic Chemistry","2013","52","","12108","12119","10.1021/ic401931y","","","0.71073","MoKα","","0.0553","0.0441","","","0.1078","0.114","","","","","","1.064","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336462","10.2599","0.0007","11.9553","0.0008","20.3304","0.0014","77.896","0.001","84.276","0.001","71.924","0.001","2316.3","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H62 Cl O P2 Rh Si -","- C51 H62 Cl O P2 Rh Si -","- C102 H124 Cl2 O2 P4 Rh2 Si2 -","2","1","","Miguel A. Esteruelas; Montserrat Oliván; Andrea Vélez","POP-Pincer Silyl Complexes of Group 9: Rhodium versus Iridium","Inorganic Chemistry","2013","52","","12108","12119","10.1021/ic401931y","","","0.71073","MoKα","","0.0611","0.046","","","0.0873","0.094","","","","","","1.071","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336463","23.228","0.003","23.11","0.003","17.543","0.002","90","","122.11","0.002","90","","7976.5","1.7","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40.25 H55 Cl Ir O P2 Si -","- C40.25 H54.5 Cl Ir O P2 Si -","- C322 H436 Cl8 Ir8 O8 P16 Si8 -","8","1","","Miguel A. Esteruelas; Montserrat Oliván; Andrea Vélez","POP-Pincer Silyl Complexes of Group 9: Rhodium versus Iridium","Inorganic Chemistry","2013","52","","12108","12119","10.1021/ic401931y","","","0.71073","MoKα","","0.0547","0.0323","","","0.0753","0.0804","","","","","","0.941","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336464","8.545","0.0009","18.3095","0.0019","22.353","0.002","90","","90","","90","","3497.2","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H55 O P2 Rh Si -","- C33 H55 O P2 Rh Si -","- C132 H220 O4 P8 Rh4 Si4 -","4","1","","Miguel A. Esteruelas; Montserrat Oliván; Andrea Vélez","POP-Pincer Silyl Complexes of Group 9: Rhodium versus Iridium","Inorganic Chemistry","2013","52","","12108","12119","10.1021/ic401931y","","","0.71073","MoKα","","0.0524","0.0337","","","0.0626","0.0665","","","","","","0.955","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336465","10.1457","0.001","19.559","0.002","19.979","0.002","87.073","0.002","88.661","0.002","77.015","0.002","3857.9","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C75 H74 B F24 O3 P2 Rh Si -","- C75 H74 B F24 O3 P2 Rh Si -","- C150 H148 B2 F48 O6 P4 Rh2 Si2 -","2","1","","Miguel A. Esteruelas; Montserrat Oliván; Andrea Vélez","POP-Pincer Silyl Complexes of Group 9: Rhodium versus Iridium","Inorganic Chemistry","2013","52","","12108","12119","10.1021/ic401931y","","","0.71073","MoKα","","0.0688","0.0498","","","0.1298","0.1389","","","","","","1.062","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336466","14.475","0.0012","10.364","0.0011","21.043","0.003","90","","108.137","0.01","90","","3000","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H30 F12 O6 P2 Ru S5 -","- C11 H30 F12 O6 P2 Ru S5 -","- C44 H120 F48 O24 P8 Ru4 S20 -","4","1","","Ioannis Bratsos; Simone Calmo; Ennio Zangrando; Gabriele Balducci; Enzo Alessio","New Cationic and Neutral Ru(II)- and Os(II)-dmso carbonyl Compounds","Inorganic Chemistry","2013","52","","12120","12130","10.1021/ic401940z","","","1.5418","CuKα","","0.1038","0.0552","","","0.1659","0.1837","","","","","","1.013","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336467","10.8","0.0011","14.7","0.0016","14.67","0.003","90","","96.99","0.02","90","","2311.7","0.6","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C9 H24 Cl F6 O5 P Ru S4 -","- C9 H24 Cl F6 O5 P Ru S4 -","- C36 H96 Cl4 F24 O20 P4 Ru4 S16 -","4","1","","Ioannis Bratsos; Simone Calmo; Ennio Zangrando; Gabriele Balducci; Enzo Alessio","New Cationic and Neutral Ru(II)- and Os(II)-dmso carbonyl Compounds","Inorganic Chemistry","2013","52","","12120","12130","10.1021/ic401940z","","","1.5418","CuKα","","0.1005","0.0656","","","0.1554","0.1671","","","","","","0.946","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336468","7.589","0.0011","10.909","0.0016","12.924","0.003","97.06","0.02","100.352","0.012","100.84","0.02","1020.1","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H18 Cl F6 O5 P Ru S3 -","- C8 H18 Cl F6 O5 P Ru S3 -","- C16 H36 Cl2 F12 O10 P2 Ru2 S6 -","2","1","","Ioannis Bratsos; Simone Calmo; Ennio Zangrando; Gabriele Balducci; Enzo Alessio","New Cationic and Neutral Ru(II)- and Os(II)-dmso carbonyl Compounds","Inorganic Chemistry","2013","52","","12120","12130","10.1021/ic401940z","","","1.5418","CuKα","","0.0933","0.0706","","","0.2103","0.2198","","","","","","1.074","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336469","19.618","0.0012","19.618","0.0012","16.414","0.001","90","","90","","90","","6317.2","0.7","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C7 H18 Cl2 O4 Os S3 -","- C7 H18 Cl2 O4 Os S3 -","- C112 H288 Cl32 O64 Os16 S48 -","16","1","","Ioannis Bratsos; Simone Calmo; Ennio Zangrando; Gabriele Balducci; Enzo Alessio","New Cationic and Neutral Ru(II)- and Os(II)-dmso carbonyl Compounds","Inorganic Chemistry","2013","52","","12120","12130","10.1021/ic401940z","","","1.5418","CuKα","","0.0748","0.0554","","","0.1296","0.1358","","","","","","0.995","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336470","8.804","0.0011","11.184","0.0016","17.857","0.002","90","","105.29","0.02","90","","1696","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7.5 H21 Cl2 O4 Os S3.5 -","- C7.502 H21.012 Cl2 O4 Os S3.502 -","- C30.008 H84.048 Cl8 O16 Os4 S14.008 -","4","1","","Ioannis Bratsos; Simone Calmo; Ennio Zangrando; Gabriele Balducci; Enzo Alessio","New Cationic and Neutral Ru(II)- and Os(II)-dmso carbonyl Compounds","Inorganic Chemistry","2013","52","","12120","12130","10.1021/ic401940z","","","0.9","synchrotron","","0.0309","0.0309","","","0.0828","0.0828","","","","","","1.261","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336471","5.4563","0.0006","14.9341","0.0012","13.2821","0.001","90","","95.52","","90","","1077.27","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H22 N2 O18 P4 Zr -","- C8 H22 N2 O18 P4 Zr -","- C16 H44 N4 O36 P8 Zr2 -","2","0.5","","Marco Taddei; Anna Donnadio; Ferdinando Costantino; Riccardo Vivani; Mario Casciola","Synthesis, Crystal Structure, and Proton Conductivity of One-Dimensional, Two-Dimensional, and Three-Dimensional Zirconium Phosphonates Based on Glyphosate and Glyphosine","Inorganic Chemistry","2013","52","","12131","12139","10.1021/ic4019597","","","0.71073","MoKα","","0.0537","0.033","","","0.1196","0.1263","","","","","","1.076","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336472","8.57285","0.00025","32.7643","0.0013","5.30405","0.00013","90","","105.693","0.0029","90","","1434.29","0.08","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 F N2 O10 P2 Zr -","- C6 F N2 O10 P2 Zr -","- C24 F4 N8 O40 P8 Zr4 -","4","1","","Marco Taddei; Anna Donnadio; Ferdinando Costantino; Riccardo Vivani; Mario Casciola","Synthesis, Crystal Structure, and Proton Conductivity of One-Dimensional, Two-Dimensional, and Three-Dimensional Zirconium Phosphonates Based on Glyphosate and Glyphosine","Inorganic Chemistry","2013","52","","12131","12139","10.1021/ic4019597","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.04689","","2.89","","","","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336473","5.37697","0.00024","13.3379","0.0007","15.536","0.0005","111.959","0.003","96.402","0.005","94.8633","0.003","1017.21","0.08","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C16 N4 O34 P8 Zr3 -","- C16 N4 O34 P8 Zr3 -","- C16 N4 O34 P8 Zr3 -","1","0.5","","Marco Taddei; Anna Donnadio; Ferdinando Costantino; Riccardo Vivani; Mario Casciola","Synthesis, Crystal Structure, and Proton Conductivity of One-Dimensional, Two-Dimensional, and Three-Dimensional Zirconium Phosphonates Based on Glyphosate and Glyphosine","Inorganic Chemistry","2013","52","","12131","12139","10.1021/ic4019597","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","0.03507","","2.55","","","","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336474","21.129","0.003","21.129","0.003","36.05","0.007","90","","90","","90","","16094","4","180","","180","","","","","","","","","8","I 41/a :2","-I 4ad","88","","","","- C44 H46 B Cu F4 N2 O P2 -","- C44 H46 B Cu F4 N2 O P2 -","- C704 H736 B16 Cu16 F64 N32 O16 P32 -","16","1","","Adrien Kaeser; Meera Mohankumar; John Mohanraj; Filippo Monti; Michel Holler; Juan-José Cid; Omar Moudam; Iwona Nierengarten; Lydia Karmazin-Brelot; Carine Duhayon; Béatrice Delavaux-Nicot; Nicola Armaroli; Jean-François Nierengarten","Heteroleptic Copper(I) Complexes Prepared from Phenanthroline and Bis-Phosphine Ligands","Inorganic Chemistry","2013","52","","12140","12151","10.1021/ic4020042","","","0.71073","MoKα","","0.1376","0.0804","","0.1348","0.096","0.096","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336475","10.45","0.002","16.194","0.003","10.998","0.002","90","","100.97","0.03","90","","1827.2","0.6","180","","180","","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C41 H38 B Cu F4 N2 P2 -","- C41 H38 B Cu F4 N2 P2 -","- C82 H76 B2 Cu2 F8 N4 P4 -","2","1","","Adrien Kaeser; Meera Mohankumar; John Mohanraj; Filippo Monti; Michel Holler; Juan-José Cid; Omar Moudam; Iwona Nierengarten; Lydia Karmazin-Brelot; Carine Duhayon; Béatrice Delavaux-Nicot; Nicola Armaroli; Jean-François Nierengarten","Heteroleptic Copper(I) Complexes Prepared from Phenanthroline and Bis-Phosphine Ligands","Inorganic Chemistry","2013","52","","12140","12151","10.1021/ic4020042","","","0.71073","MoKα","","0.1243","0.0742","","0.1144","0.0832","0.0775","","","","","","1.1279","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336476","17.5517","0.0004","19.0568","0.0003","21.3477","0.0005","90","","90","","90","","7140.4","0.3","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C42 H32 B Cu F4 N2 P2 -","- C42 H32 B Cu F4 N2 P2 -","- C336 H256 B8 Cu8 F32 N16 P16 -","8","1","","Adrien Kaeser; Meera Mohankumar; John Mohanraj; Filippo Monti; Michel Holler; Juan-José Cid; Omar Moudam; Iwona Nierengarten; Lydia Karmazin-Brelot; Carine Duhayon; Béatrice Delavaux-Nicot; Nicola Armaroli; Jean-François Nierengarten","Heteroleptic Copper(I) Complexes Prepared from Phenanthroline and Bis-Phosphine Ligands","Inorganic Chemistry","2013","52","","12140","12151","10.1021/ic4020042","","","0.71073","MoKα","","0.0989","0.0516","","","0.1363","0.1663","","","","","","1.067","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336477","20.0837","0.0006","24.4373","0.0007","24.7392","0.0008","90","","90","","90","","12141.8","0.6","180","","180","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C72 H56 B Cu F4 O2 P4 -","- C72 H56 B Cu F4 O2 P4 -","- C576 H448 B8 Cu8 F32 O16 P32 -","8","1","","Adrien Kaeser; Meera Mohankumar; John Mohanraj; Filippo Monti; Michel Holler; Juan-José Cid; Omar Moudam; Iwona Nierengarten; Lydia Karmazin-Brelot; Carine Duhayon; Béatrice Delavaux-Nicot; Nicola Armaroli; Jean-François Nierengarten","Heteroleptic Copper(I) Complexes Prepared from Phenanthroline and Bis-Phosphine Ligands","Inorganic Chemistry","2013","52","","12140","12151","10.1021/ic4020042","","","0.71073","MoKα","","0.1299","0.0679","","0.1085","0.0761","0.0761","","","","","","1.1238","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336478","14.8569","0.0001","26.664","0.0002","25.5647","0.0002","90","","106.834","0.001","90","","9693.33","0.13","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C99 H78 B2 Cl2 Cu2 F8 N4 P4 -","- C99 H78 B2 Cl2 Cu2 F8 N4 P4 -","- C396 H312 B8 Cl8 Cu8 F32 N16 P16 -","4","1","","Adrien Kaeser; Meera Mohankumar; John Mohanraj; Filippo Monti; Michel Holler; Juan-José Cid; Omar Moudam; Iwona Nierengarten; Lydia Karmazin-Brelot; Carine Duhayon; Béatrice Delavaux-Nicot; Nicola Armaroli; Jean-François Nierengarten","Heteroleptic Copper(I) Complexes Prepared from Phenanthroline and Bis-Phosphine Ligands","Inorganic Chemistry","2013","52","","12140","12151","10.1021/ic4020042","","","0.71073","MoKα","","0.0807","0.0601","","","0.1728","0.183","","","","","","1.053","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336479","32.611","0.0016","14.7493","0.0007","25.9505","0.0014","90","","128.807","0.008","90","","9726.7","1.4","180","","180","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C103 H92 B2 Cl2 Cu2 F8 Fe3 O3 P6 -","- C103 H86 B2 Cl2 Cu2 F8 Fe3 O3 P6 -","- C412 H344 B8 Cl8 Cu8 F32 Fe12 O12 P24 -","4","0.5","","Adrien Kaeser; Meera Mohankumar; John Mohanraj; Filippo Monti; Michel Holler; Juan-José Cid; Omar Moudam; Iwona Nierengarten; Lydia Karmazin-Brelot; Carine Duhayon; Béatrice Delavaux-Nicot; Nicola Armaroli; Jean-François Nierengarten","Heteroleptic Copper(I) Complexes Prepared from Phenanthroline and Bis-Phosphine Ligands","Inorganic Chemistry","2013","52","","12140","12151","10.1021/ic4020042","","","0.71073","MoKα","","0.102","0.0421","","0.1379","0.0491","0.0509","","","","","","1","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336480","17.966","0.003","14.634","0.002","18.133","0.004","90","","117.794","0.002","90","","4217.4","1.3","90","","90","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H72 Co2 N4 Si8 -","- C24 H72 Co2 N4 Si8 -","- C96 H288 Co8 N16 Si32 -","4","0.5","","Aimee M. Bryan; Gary J. Long; Fernande Grandjean; Philip P. Power","Synthesis, Spectroscopic Characterization, and Determination of the Solution Association Energy of the Dimer [Co{N(SiMe3)2}2]2: Magnetic Studies of Low-Coordinate Co(II) Silylamides [Co{N(SiMe3)2}2L] (L = PMe3, Pyridine, and THF) and Related Species That Reveal Evidence of Very Large Zero-Field Splittings","Inorganic Chemistry","2013","52","","12152","12160","10.1021/ic402019w","","","0.71073","MoKα","","0.0288","0.0238","","","0.0622","0.0654","","","","","","0.947","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336481","15.1133","0.0019","10.0248","0.0013","17.973","0.002","90","","91.745","0.002","90","","2721.8","0.6","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H45 Co N2 P Si4 -","- C15 H45 Co N2 P Si4 -","- C60 H180 Co4 N8 P4 Si16 -","4","1","","Aimee M. Bryan; Gary J. Long; Fernande Grandjean; Philip P. Power","Synthesis, Spectroscopic Characterization, and Determination of the Solution Association Energy of the Dimer [Co{N(SiMe3)2}2]2: Magnetic Studies of Low-Coordinate Co(II) Silylamides [Co{N(SiMe3)2}2L] (L = PMe3, Pyridine, and THF) and Related Species That Reveal Evidence of Very Large Zero-Field Splittings","Inorganic Chemistry","2013","52","","12152","12160","10.1021/ic402019w","","","0.71073","MoKα","","0.036","0.0331","","","0.0819","0.0828","","","","","","1.275","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336482","13.5395","0.0003","11.1656","0.0003","17.7402","0.0004","90","","90","","90","","2681.9","0.11","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H44 Co N2 O Si4 -","- C16 H44 Co N2 O Si4 -","- C64 H176 Co4 N8 O4 Si16 -","4","0.5","","Aimee M. Bryan; Gary J. Long; Fernande Grandjean; Philip P. Power","Synthesis, Spectroscopic Characterization, and Determination of the Solution Association Energy of the Dimer [Co{N(SiMe3)2}2]2: Magnetic Studies of Low-Coordinate Co(II) Silylamides [Co{N(SiMe3)2}2L] (L = PMe3, Pyridine, and THF) and Related Species That Reveal Evidence of Very Large Zero-Field Splittings","Inorganic Chemistry","2013","52","","12152","12160","10.1021/ic402019w","","","0.71073","MoKα","","0.0402","0.0322","","","0.0845","0.0917","","","","","","1.058","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336483","14.4857","0.0003","14.4857","0.0003","13.5506","0.0007","90","","90","","90","","2843.4","0.17","296","2","296","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- As22 Ba13 Si6 Sn8 -","- As22 Ba13 Si6 Sn8 -","- As44 Ba26 Si12 Sn16 -","2","0.125","","Xiao-Cun Liu; Na Lin; Jian Wang; Ming-Yan Pan; Xian Zhao; Xu-Tang Tao; Sheng-Qing Xia","Ba13Si6Sn8As22: A Quaternary Zintl Phase Containing Adamantane-Like [Si4As10] Clusters","Inorganic Chemistry","2013","52","","11836","11842","10.1021/ic402023z","","","0.71073","MoKα","","0.0216","0.0196","","","0.0444","0.0452","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336484","11.6515","0.0003","7.1578","0.0002","17.3543","0.0004","90","","94.349","0.002","90","","1443.17","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H42 Cd O14 S2 -","- C20 H42 Cd O14 S2 -","- C40 H84 Cd2 O28 S4 -","2","1","","Zi-Jian Li; Jia Yao; Qian Tao; Long Jiang; Tong-Bu Lu","Enantioselective Recognition and Separation of Racemic 1-Phenylethanol by a Pair of 2D Chiral Coordination Polymers","Inorganic Chemistry","2013","52","","11694","11696","10.1021/ic4021367","","","1.54178","CuKα","","0.046","0.0406","","","0.0928","0.0978","","","","","","1.014","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336485","10.3479","0.0002","14.2287","0.0002","19.0288","0.0002","93.072","0.001","98.916","0.001","107.714","0.001","2621.51","0.07","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C100 H128 Cd2 Cl4 N16 O18 S4 -","- C100 H120 Cd2 Cl4 N16 O18 S4 -","- C100 H120 Cd2 Cl4 N16 O18 S4 -","1","1","","Zi-Jian Li; Jia Yao; Qian Tao; Long Jiang; Tong-Bu Lu","Enantioselective Recognition and Separation of Racemic 1-Phenylethanol by a Pair of 2D Chiral Coordination Polymers","Inorganic Chemistry","2013","52","","11694","11696","10.1021/ic4021367","","","1.54178","CuKα","","0.0499","0.0477","","","0.1244","0.1272","","","","","","1.02","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336486","10.7036","0.0003","18.3229","0.0004","18.4237","0.0005","63.578","0.002","88.824","0.002","83.348","0.002","3212.1","0.16","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C128 H156 Cd2 N16 O20 S4 -","- C128 H156 Cd2 N16 O20 S4 -","- C128 H156 Cd2 N16 O20 S4 -","1","1","","Zi-Jian Li; Jia Yao; Qian Tao; Long Jiang; Tong-Bu Lu","Enantioselective Recognition and Separation of Racemic 1-Phenylethanol by a Pair of 2D Chiral Coordination Polymers","Inorganic Chemistry","2013","52","","11694","11696","10.1021/ic4021367","","","1.54178","CuKα","","0.0891","0.0823","","","0.2132","0.2231","","","","","","1.028","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336487","10.3574","0.0002","14.2352","0.0002","19.0283","0.0003","93.002","0.001","98.974","0.001","107.739","0.001","2624.5","0.08","150","2","150","2","","","","","","","","7","P 1","P 1","1","","","","- C100 H128 Cd2 Cl4 N16 O18 S4 -","- C100 H120 Cd2 Cl4 N16 O18 S4 -","- C100 H120 Cd2 Cl4 N16 O18 S4 -","1","1","","Zi-Jian Li; Jia Yao; Qian Tao; Long Jiang; Tong-Bu Lu","Enantioselective Recognition and Separation of Racemic 1-Phenylethanol by a Pair of 2D Chiral Coordination Polymers","Inorganic Chemistry","2013","52","","11694","11696","10.1021/ic4021367","","","1.54178","CuKα","","0.0554","0.0531","","","0.1392","0.1429","","","","","","1.019","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336488","10.6881","0.0004","18.3271","0.0007","18.4365","0.0009","63.639","0.004","88.776","0.003","83.366","0.003","3212.4","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C128 H156 Cd2 N16 O20 S4 -","- C128 H156 Cd2 N16 O20 S4 -","- C128 H156 Cd2 N16 O20 S4 -","1","1","","Zi-Jian Li; Jia Yao; Qian Tao; Long Jiang; Tong-Bu Lu","Enantioselective Recognition and Separation of Racemic 1-Phenylethanol by a Pair of 2D Chiral Coordination Polymers","Inorganic Chemistry","2013","52","","11694","11696","10.1021/ic4021367","","","1.54178","CuKα","","0.0844","0.0771","","","0.2012","0.2118","","","","","","1.045","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336489","39.522","0.004","12.4506","0.0011","23.074","0.002","90","","118.076","0.002","90","","10018","1.6","173","","173","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H34 N4 O5 -","- C26 H34 N4 O5 -","- C416 H544 N64 O80 -","16","4","","Yoichi Habata; Mari Ikeda; Ajay K. Sah; Kanae Noto; Shunsuke Kuwahara","Selective Retention of Methanol over Ethanol by a Cyclen-Based Cryptand/Copper(II) Complex","Inorganic Chemistry","2013","52","","11697","11699","10.1021/ic4021417","","","0.71073","MoKα","","0.078","0.0611","","","0.1537","0.1687","","","","","","1.021","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336490","16.2485","0.0012","8.5811","0.0006","22.2768","0.0013","90","","119.362","0.004","90","","2707","0.3","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H41 N5 O3 -","- C28 H41 N5 O3 -","- C112 H164 N20 O12 -","4","1","","Yoichi Habata; Mari Ikeda; Ajay K. Sah; Kanae Noto; Shunsuke Kuwahara","Selective Retention of Methanol over Ethanol by a Cyclen-Based Cryptand/Copper(II) Complex","Inorganic Chemistry","2013","52","","11697","11699","10.1021/ic4021417","","","0.71073","MoKα","","0.1552","0.0595","","","0.1107","0.1397","","","","","","0.937","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336491","8.9164","0.0006","18.4649","0.0012","22.3975","0.0015","90","","97.108","0.001","90","","3659.2","0.4","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H88 Cu2 F12 N8 O20 S4 -","- C60 H81 Cu2 F12 N8 O20 S4 -","- C120 H162 Cu4 F24 N16 O40 S8 -","2","1","","Yoichi Habata; Mari Ikeda; Ajay K. Sah; Kanae Noto; Shunsuke Kuwahara","Selective Retention of Methanol over Ethanol by a Cyclen-Based Cryptand/Copper(II) Complex","Inorganic Chemistry","2013","52","","11697","11699","10.1021/ic4021417","","","0.71073","MoKα","","0.0746","0.0501","","","0.1062","0.1282","","","","","","0.968","","","","has coordinates,has disorder","179467","2020-10-21","18:00:00",""
"4336492","8.8773","0.0004","22.1125","0.001","18.5199","0.0008","90","","92.53","0.001","90","","3631.9","0.3","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 Cu F6 N4 O10 S2 -","- C29 H42 Cu F6 N4 O10 S2 -","- C116 H168 Cu4 F24 N16 O40 S8 -","4","1","","Yoichi Habata; Mari Ikeda; Ajay K. Sah; Kanae Noto; Shunsuke Kuwahara","Selective Retention of Methanol over Ethanol by a Cyclen-Based Cryptand/Copper(II) Complex","Inorganic Chemistry","2013","52","","11697","11699","10.1021/ic4021417","","","0.71073","MoKα","","0.0491","0.0386","","","0.0963","0.1023","","","","","","1.031","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336493","24.288","0.006","10.971","0.003","25.321","0.006","90","","91.481","0.004","90","","6745","3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H41 I N2 O S2 -","- C35 H41 I N2 O S2 -","- C280 H328 I8 N16 O8 S16 -","8","1","","Shin-ichi Fuku-en; Junki Yamamoto; Mao Minoura; Satoshi Kojima; Yohsuke Yamamoto","Synthesis of New Dipyrido-Annulated N-Heterocyclic Carbenes with Ortho Substituents","Inorganic Chemistry","2013","52","","11700","11702","10.1021/ic402301u","","","0.71073","MoKα","","0.118","0.0583","","","0.1464","0.1739","","","","","","1.005","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336494","29.01","0.003","17.434","0.0016","12.2237","0.0011","90","","108.677","0.001","90","","5856.7","1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 Cl2 I N2 Rh -","- C27 H34 Cl2 I N2 Rh -","- C216 H272 Cl16 I8 N16 Rh8 -","8","1","","Shin-ichi Fuku-en; Junki Yamamoto; Mao Minoura; Satoshi Kojima; Yohsuke Yamamoto","Synthesis of New Dipyrido-Annulated N-Heterocyclic Carbenes with Ortho Substituents","Inorganic Chemistry","2013","52","","11700","11702","10.1021/ic402301u","","","0.71073","MoKα","","0.0398","0.0316","","","0.107","0.1301","","","","","","1.097","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336495","14.123","0.002","16.273","0.003","32.044","0.006","90","0.002","90","0.002","96.169","0.002","7322","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H40 I N2 Rh S2 -","- C39 H40 I N2 Rh S2 -","- C312 H320 I8 N16 Rh8 S16 -","8","4","","Shin-ichi Fuku-en; Junki Yamamoto; Mao Minoura; Satoshi Kojima; Yohsuke Yamamoto","Synthesis of New Dipyrido-Annulated N-Heterocyclic Carbenes with Ortho Substituents","Inorganic Chemistry","2013","52","","11700","11702","10.1021/ic402301u","","","0.71073","MoKα","","0.1205","0.0706","","","0.1632","0.1934","","","","","","0.955","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336496","17.665","0.011","14.579","0.009","15.112","0.009","90","","90","","90","","3892","4","173","2","173","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C35 H40 I3 N2 O Rh S2 -","- C37 H32 I3 N2 O Rh S2 -","- C148 H128 I12 N8 O4 Rh4 S8 -","4","0.5","","Shin-ichi Fuku-en; Junki Yamamoto; Mao Minoura; Satoshi Kojima; Yohsuke Yamamoto","Synthesis of New Dipyrido-Annulated N-Heterocyclic Carbenes with Ortho Substituents","Inorganic Chemistry","2013","52","","11700","11702","10.1021/ic402301u","","","0.71073","MoKα","","0.0821","0.0595","","","0.1301","0.1524","","","","","","1.099","","","","has coordinates","179467","2020-10-21","18:00:00",""
"4336497","22.2544","0.001","12.5472","0.0006","18.9608","0.001","90","","110.518","0.003","90","","4958.6","0.4","150","0.2","150","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 Co I2 N3 P3 U -","- C45 H51 Co I2 N3 P3 U -","- C180 H204 Co4 I8 N12 P12 U4 -","4","1","","J. Wesley Napoline; Steven J. Kraft; Ellen M. Matson; Phillip E. Fanwick; Suzanne C. Bart; Christine M. Thomas","Tris(phosphinoamide)-Supported Uranium-Cobalt Heterobimetallic Complexes Featuring Co → U Dative Interactions","Inorganic Chemistry","2013","52","","12170","12177","10.1021/ic402343q","","","1.54184","CU-Kα","","0.1","0.085","","","0.175","0.183","","","","","","1.059","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4336498","20.6106","0.0008","23.0882","0.0009","16.9302","0.0006","90","","126.68","0.002","90","","6461.1","0.5","150","0.2","150","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H88 N4 O2 P4 U -","- C68 H88 N4 O2 P4 U -","- C272 H352 N16 O8 P16 U4 -","4","0.5","","J. Wesley Napoline; Steven J. Kraft; Ellen M. Matson; Phillip E. Fanwick; Suzanne C. Bart; Christine M. Thomas","Tris(phosphinoamide)-Supported Uranium-Cobalt Heterobimetallic Complexes Featuring Co → U Dative Interactions","Inorganic Chemistry","2013","52","","12170","12177","10.1021/ic402343q","","","1.54184","CU-Kα","","0.061","0.06","","","0.162","0.164","","","","","","1.083","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4336499","16.9576","0.0004","18.0469","0.0004","22.0133","0.0005","90","","97.8754","0.0017","90","","6673.2","0.3","150","0.2","150","0.2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C68 H88 Co I N4 O2 P4 U -","- C68 H88 Co I N4 O2 P4 U -","- C272 H352 Co4 I4 N16 O8 P16 U4 -","4","1","","J. Wesley Napoline; Steven J. Kraft; Ellen M. Matson; Phillip E. Fanwick; Suzanne C. Bart; Christine M. Thomas","Tris(phosphinoamide)-Supported Uranium-Cobalt Heterobimetallic Complexes Featuring Co → U Dative Interactions","Inorganic Chemistry","2013","52","","12170","12177","10.1021/ic402343q","","","1.54184","CU-Kα","","0.05","0.049","","","0.131","0.133","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4336500","12.6178","0.0003","22.9951","0.0005","19.224","0.0004","90","","103.159","0.0015","90","","5431.3","0.2","150","0.2","150","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H75 I N3 P3 U -","- C45 H75 I N3 P3 U -","- C180 H300 I4 N12 P12 U4 -","4","1","","J. Wesley Napoline; Steven J. Kraft; Ellen M. Matson; Phillip E. Fanwick; Suzanne C. Bart; Christine M. Thomas","Tris(phosphinoamide)-Supported Uranium-Cobalt Heterobimetallic Complexes Featuring Co → U Dative Interactions","Inorganic Chemistry","2013","52","","12170","12177","10.1021/ic402343q","","","1.54184","CU-Kα","","0.046","0.046","","","0.131","0.132","","","","","","1.074","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4336501","9.6918","0.001","13.2067","0.0014","23.235","0.002","90","","90","","90","","2974","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C6 H18 Cl2 N2 O6 Pt S -","- C6 H18 Cl2 N2 O6 Pt S -","- C48 H144 Cl16 N16 O48 Pt8 S8 -","8","1","","Timothy C. Johnstone; Justin J. Wilson; Stephen J. Lippard","Monofunctional and Higher-Valent Platinum Anticancer Agents","Inorganic Chemistry","2013","52","","12234","12249","10.1021/ic400538c","","","0.71073","MoKα","","0.0366","0.0205","","","0.0411","0.047","","","","","","1.037","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336502","7.6011","0.0008","8.9779","0.001","10.4662","0.0011","94.369","0.002","96.246","0.002","107.314","0.002","673.37","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H17 Cl2 N3 O5 Pt -","- C6 H17 Cl2 N3 O5 Pt -","- C12 H34 Cl4 N6 O10 Pt2 -","2","1","","Timothy C. Johnstone; Justin J. Wilson; Stephen J. Lippard","Monofunctional and Higher-Valent Platinum Anticancer Agents","Inorganic Chemistry","2013","52","","12234","12249","10.1021/ic400538c","","","0.71073","MoKα","","0.0201","0.017","","","0.0351","0.0363","","","","","","1.055","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336503","11.2499","0.0009","12.7069","0.001","8.0645","0.0006","90","","95.872","0.001","90","","1146.78","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H18 Cl2 N2 O3 Pt -","- C4 H18 Cl2 N2 O3 Pt -","- C16 H72 Cl8 N8 O12 Pt4 -","4","1","","Timothy C. Johnstone; Justin J. Wilson; Stephen J. Lippard","Monofunctional and Higher-Valent Platinum Anticancer Agents","Inorganic Chemistry","2013","52","","12234","12249","10.1021/ic400538c","","","0.71073","MoKα","","0.0363","0.0266","","","0.0627","0.0674","","","","","","1.066","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336504","11.499","0.01","12.749","0.012","13.922","0.013","94.533","0.011","90.21","0.02","92.358","0.015","2033","3","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H96 N4 Ni16 O0 S27 -","- C40 H92 N4 Ni16 S27 -","- C40 H92 N4 Ni16 S27 -","1","0.5","","Hao Jiang; Tianlu Sheng; Songyan Bai; Shengmin Hu; Xin Wang; Ruibiao Fu; Peng Yu; Xintao Wu","Unusual C-S Bond Cleavage in Hydro(solvo)thermal Reaction That Induces Two Novel Nickel Thiolates: The Crown [Ni16(edt)8S9(S2)]4- with an Unprecedented 12-Membered Ring System and the Cagelike [Ni13(edt)8S4(S2)2]2- with Two Distorted Cores","Inorganic Chemistry","2013","52","","12305","12307","10.1021/ic400824f","","","0.71073","MoKα","","0.0934","0.0741","","","0.2125","0.2328","","","","","","1.104","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336505","34.08","0.03","10.485","0.008","18.72","0.014","90","","105.14","0.02","90","","6457","9","160","2","160","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H68 N2 Ni13 O0 S24 -","- C30 H68 N2 Ni13 S24 -","- C120 H272 N8 Ni52 S96 -","4","0.5","","Hao Jiang; Tianlu Sheng; Songyan Bai; Shengmin Hu; Xin Wang; Ruibiao Fu; Peng Yu; Xintao Wu","Unusual C-S Bond Cleavage in Hydro(solvo)thermal Reaction That Induces Two Novel Nickel Thiolates: The Crown [Ni16(edt)8S9(S2)]4- with an Unprecedented 12-Membered Ring System and the Cagelike [Ni13(edt)8S4(S2)2]2- with Two Distorted Cores","Inorganic Chemistry","2013","52","","12305","12307","10.1021/ic400824f","","","0.71073","MoKα","","0.098","0.0831","","","0.2321","0.2493","","","","","","1.134","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336506","15.1306","0.0005","15.1306","0.0005","11.0313","0.0004","90","","90","","120","","2187.1","0.13","173","","173","","","","","","","","","6","P -3","-P 3","147","","","","- C42 H42 F9 Ir N6 O3 -","- C42 H42 F9 Ir N6 O3 -","- C84 H84 F18 Ir2 N12 O6 -","2","0.333333","","Takashi Karatsu; Masatomo Takahashi; Shiki Yagai; Akihide Kitamura","Photophysical Properties of Substituted Homoleptic and Heteroleptic Phenylimidazolinato Ir(III) Complexes as a Blue Phosphorescent Material","Inorganic Chemistry","2013","52","","12338","12350","10.1021/ic400950u","","","0.71073","MoKα","","0.0195","0.0167","","","0.0479","0.0596","","","","","","1.264","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336507","15.2655","0.0017","15.2655","0.0017","10.3994","0.0012","90","","90","","120","","2098.8","0.4","173","","173","","","","","","","","","5","P -3","-P 3","147","","","","- C42 H42 F9 Ir N6 -","- C42 H42 F9 Ir N6 -","- C84 H84 F18 Ir2 N12 -","2","0.333333","","Takashi Karatsu; Masatomo Takahashi; Shiki Yagai; Akihide Kitamura","Photophysical Properties of Substituted Homoleptic and Heteroleptic Phenylimidazolinato Ir(III) Complexes as a Blue Phosphorescent Material","Inorganic Chemistry","2013","52","","12338","12350","10.1021/ic400950u","","","0.71073","MoKα","","0.0222","0.0199","","","0.0571","0.0701","","","","","","1.221","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336508","11.0312","0.0015","31.737","0.004","18.458","0.003","90","","104.216","0.003","90","","6264.2","1.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 Co N2 -","- C42 H33 Co N2 -","- C336 H264 Co8 N16 -","8","2","","Karunesh Keshav; Dheeraj Kumar; Anil J. Elias","Synthesis, Spectral, and Structural Studies of Porphyrins Having Sterically Hindered [η5-CpCo(η4-C4Ph4)] Cobalt Sandwich Units at the Meso Positions","Inorganic Chemistry","2013","52","","12351","12366","10.1021/ic401099c","","","0.71073","MoKα","","0.0954","0.0818","","","0.1669","0.1735","","","","","","1.254","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336509","12.5079","0.0018","14.058","0.002","14.392","0.002","86.351","0.003","66.987","0.002","67.107","0.002","2134.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H35 Cl6 Co N2 O2 -","- C46 H35 Cl6 Co N2 O2 -","- C92 H70 Cl12 Co2 N4 O4 -","2","1","","Karunesh Keshav; Dheeraj Kumar; Anil J. Elias","Synthesis, Spectral, and Structural Studies of Porphyrins Having Sterically Hindered [η5-CpCo(η4-C4Ph4)] Cobalt Sandwich Units at the Meso Positions","Inorganic Chemistry","2013","52","","12351","12366","10.1021/ic401099c","","","0.71073","MoKα","","0.0903","0.0782","","","0.2041","0.2138","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336510","9.4758","0.0019","12.502","0.002","16.647","0.003","78.86","0.004","80.649","0.004","79.72","0.004","1887.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H35 Co N4 Pd -","- C53 H35 Co N4 Pd -","- C106 H70 Co2 N8 Pd2 -","2","1","","Karunesh Keshav; Dheeraj Kumar; Anil J. Elias","Synthesis, Spectral, and Structural Studies of Porphyrins Having Sterically Hindered [η5-CpCo(η4-C4Ph4)] Cobalt Sandwich Units at the Meso Positions","Inorganic Chemistry","2013","52","","12351","12366","10.1021/ic401099c","","","0.71073","MoKα","","0.0826","0.0629","","","0.129","0.1364","","","","","","1.154","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336511","11.446","0.004","15.242","0.005","15.716","0.005","98.59","0.007","90.968","0.007","97.92","0.007","2683.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H55 Co N4 Pd -","- C70 H55 Co N4 Pd -","- C140 H110 Co2 N8 Pd2 -","2","1","","Karunesh Keshav; Dheeraj Kumar; Anil J. Elias","Synthesis, Spectral, and Structural Studies of Porphyrins Having Sterically Hindered [η5-CpCo(η4-C4Ph4)] Cobalt Sandwich Units at the Meso Positions","Inorganic Chemistry","2013","52","","12351","12366","10.1021/ic401099c","","","0.71073","MoKα","","0.0955","0.0684","","","0.1519","0.1671","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336512","10.122","0.002","13.993","0.003","21.215","0.004","102.319","0.004","99.692","0.004","105.398","0.004","2748.3","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H43 Co Fe N4 Pd -","- C63 H43 Co Fe N4 Pd -","- C126 H86 Co2 Fe2 N8 Pd2 -","2","1","","Karunesh Keshav; Dheeraj Kumar; Anil J. Elias","Synthesis, Spectral, and Structural Studies of Porphyrins Having Sterically Hindered [η5-CpCo(η4-C4Ph4)] Cobalt Sandwich Units at the Meso Positions","Inorganic Chemistry","2013","52","","12351","12366","10.1021/ic401099c","","","0.71073","MoKα","","0.0643","0.0486","","","0.1287","0.1405","","","","","","0.949","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336513","10.511","0.003","14.63","0.004","16.892","0.004","80.597","0.004","84.627","0.004","78.583","0.005","2506.9","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H43 Co Fe N4 Ni -","- C63 H43 Co Fe N4 Ni -","- C126 H86 Co2 Fe2 N8 Ni2 -","2","1","","Karunesh Keshav; Dheeraj Kumar; Anil J. Elias","Synthesis, Spectral, and Structural Studies of Porphyrins Having Sterically Hindered [η5-CpCo(η4-C4Ph4)] Cobalt Sandwich Units at the Meso Positions","Inorganic Chemistry","2013","52","","12351","12366","10.1021/ic401099c","","","0.71073","MoKα","","0.0709","0.0563","","","0.1484","0.1583","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336514","11.483","0.005","12.921","0.005","19.322","0.008","79.541","0.01","89.485","0.011","76.647","0.01","2741","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H45 Co Fe N4 -","- C63 H45 Co Fe N4 -","- C126 H90 Co2 Fe2 N8 -","2","1","","Karunesh Keshav; Dheeraj Kumar; Anil J. Elias","Synthesis, Spectral, and Structural Studies of Porphyrins Having Sterically Hindered [η5-CpCo(η4-C4Ph4)] Cobalt Sandwich Units at the Meso Positions","Inorganic Chemistry","2013","52","","12351","12366","10.1021/ic401099c","","","0.71073","MoKα","","0.2161","0.1257","","","0.3082","0.3542","","","","","","0.933","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336515","11.8441","0.0019","15.17","0.002","15.832","0.003","112.919","0.003","107.21","0.003","97.881","0.003","2397.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H84 Cl12 Co2 N4 -","- C108 H84 Cl12 Co2 N4 -","- C108 H84 Cl12 Co2 N4 -","1","0.5","","Karunesh Keshav; Dheeraj Kumar; Anil J. Elias","Synthesis, Spectral, and Structural Studies of Porphyrins Having Sterically Hindered [η5-CpCo(η4-C4Ph4)] Cobalt Sandwich Units at the Meso Positions","Inorganic Chemistry","2013","52","","12351","12366","10.1021/ic401099c","","","0.71073","MoKα","","0.1072","0.0838","","","0.2309","0.2554","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336516","16.515","0.009","16.806","0.009","18.558","0.01","84.94","0.011","66.155","0.011","67.822","0.01","4350","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C106 H84 Co2 N4 -","- C106 H84 Co2 N4 -","- C212 H168 Co4 N8 -","2","1","","Karunesh Keshav; Dheeraj Kumar; Anil J. Elias","Synthesis, Spectral, and Structural Studies of Porphyrins Having Sterically Hindered [η5-CpCo(η4-C4Ph4)] Cobalt Sandwich Units at the Meso Positions","Inorganic Chemistry","2013","52","","12351","12366","10.1021/ic401099c","","","0.71073","MoKα","","0.1728","0.0799","","","0.1858","0.2241","","","","","","0.843","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336517","10.6262","0.0007","11.223","0.0008","19.4955","0.0013","87.68","0.001","82.078","0.001","64.059","0.001","2070.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H27 N O2 Pt -","- C22 H27 N O2 Pt -","- C88 H108 N4 O8 Pt4 -","4","2","","Alberto Bossi; Andreas F. Rausch; Markus J. Leitl; Rafał Czerwieniec; Matthew T. Whited; Peter I. Djurovich; Hartmut Yersin; Mark E. Thompson","Photophysical Properties of Cyclometalated Pt(II) Complexes: Counterintuitive Blue Shift in Emission with an Expanded Ligand π System","Inorganic Chemistry","2013","52","","12403","12415","10.1021/ic4011532","","","0.71073","MoKα","","0.0566","0.0438","","","0.1086","0.1215","","","","","","1.061","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336518","9.2613","0.0008","7.6397","0.0007","19.4401","0.0018","90","","99.143","0.002","90","","1358","0.2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 Pt -","- C16 H15 N O2 Pt -","- C64 H60 N4 O8 Pt4 -","4","1","","Alberto Bossi; Andreas F. Rausch; Markus J. Leitl; Rafał Czerwieniec; Matthew T. Whited; Peter I. Djurovich; Hartmut Yersin; Mark E. Thompson","Photophysical Properties of Cyclometalated Pt(II) Complexes: Counterintuitive Blue Shift in Emission with an Expanded Ligand π System","Inorganic Chemistry","2013","52","","12403","12415","10.1021/ic4011532","","","0.71073","MoKα","","0.0533","0.0443","","","0.1083","0.1124","","","","","","0.983","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336519","12.6435","0.0006","12.6465","0.0006","13.044","0.0006","90","","90","","90","","2085.68","0.17","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O2 Pt -","- C24 H27 N O2 Pt -","- C96 H108 N4 O8 Pt4 -","4","1","","Alberto Bossi; Andreas F. Rausch; Markus J. Leitl; Rafał Czerwieniec; Matthew T. Whited; Peter I. Djurovich; Hartmut Yersin; Mark E. Thompson","Photophysical Properties of Cyclometalated Pt(II) Complexes: Counterintuitive Blue Shift in Emission with an Expanded Ligand π System","Inorganic Chemistry","2013","52","","12403","12415","10.1021/ic4011532","","","0.71073","MoKα","","0.0288","0.0245","","","0.0464","0.0477","","","","","","1.004","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336520","26.538","0.008","13.985","0.004","12.769","0.004","90","","90","","90","","4739","2","143","2","143","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H29 N O2 Pt -","- C28 H29 N O2 Pt -","- C224 H232 N8 O16 Pt8 -","8","2","","Alberto Bossi; Andreas F. Rausch; Markus J. Leitl; Rafał Czerwieniec; Matthew T. Whited; Peter I. Djurovich; Hartmut Yersin; Mark E. Thompson","Photophysical Properties of Cyclometalated Pt(II) Complexes: Counterintuitive Blue Shift in Emission with an Expanded Ligand π System","Inorganic Chemistry","2013","52","","12403","12415","10.1021/ic4011532","","","0.71073","MoKα","","0.0415","0.0401","","","0.0918","0.0925","","","","","","1.075","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336521","12.4712","0.0008","12.6001","0.0007","16.718","0.0009","112.03","0.002","106.407","0.003","111.969","0.003","1966.4","0.2","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C42 H27 Cl2 Ir N4 O2 S4 -","- C42 H27 Cl2 Ir N4 O2 S4 -","- C84 H54 Cl4 Ir2 N8 O4 S8 -","2","1","","Kassem Beydoun; Moussa Zaarour; J. A. Gareth Williams; Thierry Roisnel; Vincent Dorcet; Aurélien Planchat; Abdou Boucekkine; Denis Jacquemin; Henri Doucet; Véronique Guerchais","Palladium-Catalyzed Direct Arylation of Luminescent Bis-Cyclometalated Iridium(III) Complexes Incorporating C^N- or O^O-Coordinating Thiophene-Based Ligands: an Efficient Method for Color Tuning","Inorganic Chemistry","2013","52","","12416","12428","10.1021/ic401208p","","x-ray","0.71073","MoKα","","0.025","0.0218","","","0.0536","0.055","","","","","","1.048","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336522","17.4704","0.001","19.583","0.001","14.9601","0.0007","90","","111.644","0.002","90","","4757.3","0.4","150","2","150","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H23 F12 Ir N2 O2 S4 -","- C43 H23 F12 Ir N2 O2 S4 -","- C172 H92 F48 Ir4 N8 O8 S16 -","4","0.5","","Kassem Beydoun; Moussa Zaarour; J. A. Gareth Williams; Thierry Roisnel; Vincent Dorcet; Aurélien Planchat; Abdou Boucekkine; Denis Jacquemin; Henri Doucet; Véronique Guerchais","Palladium-Catalyzed Direct Arylation of Luminescent Bis-Cyclometalated Iridium(III) Complexes Incorporating C^N- or O^O-Coordinating Thiophene-Based Ligands: an Efficient Method for Color Tuning","Inorganic Chemistry","2013","52","","12416","12428","10.1021/ic401208p","","x-ray","0.71073","MoKα","","0.0529","0.0381","","","0.0936","0.0983","","","","","","1.085","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336523","8.5318","0.0006","16.6962","0.0013","13.7039","0.001","90","","94.552","0.003","90","","1945.9","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","michael027","michael027","","- C11 H28 F6 Mn N4 O2 P S -","- C11 H28 F6 Mn N4 O2 P S -","- C44 H112 F24 Mn4 N16 O8 P4 S4 -","4","1","","Michael K. Coggins; Lisa M. Brines; Julie A. Kovacs","Synthesis and Structural Characterization of a Series of MnIIIOR Complexes, Including a Water-Soluble MnIIIOH That Promotes Aerobic Hydrogen-Atom Transfer","Inorganic Chemistry","2013","52","","12383","12393","10.1021/ic401234t","","","0.71073","MoKα","","0.0225","0.0211","","","0.0546","0.0559","","","","","","1.042","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336524","13.571","0.0019","8.8115","0.0012","16.452","0.002","90","","90","","90","","1967.3","0.5","100","2","100","2","","","","","","","","8","P n m a","-P 2ac 2n","62","michael032b","michael032b","","- C12 H28 F6 Mn N4 O P S -","- C12 H28 F6 Mn N4 O P S -","- C48 H112 F24 Mn4 N16 O4 P4 S4 -","4","0.5","","Michael K. Coggins; Lisa M. Brines; Julie A. Kovacs","Synthesis and Structural Characterization of a Series of MnIIIOR Complexes, Including a Water-Soluble MnIIIOH That Promotes Aerobic Hydrogen-Atom Transfer","Inorganic Chemistry","2013","52","","12383","12393","10.1021/ic401234t","","","0.71073","MoKα","","0.0659","0.0494","","","0.1216","0.1339","","","","","","1.077","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336525","8.4834","0.0003","16.497","0.0007","22.0354","0.0009","90","","97.872","0.002","90","","3054.8","0.2","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","michael043","michael043","","- C23 H43 F6 Mn N5 O2 P S -","- C23 H43 F6 Mn N5 O2 P S -","- C92 H172 F24 Mn4 N20 O8 P4 S4 -","4","1","","Michael K. Coggins; Lisa M. Brines; Julie A. Kovacs","Synthesis and Structural Characterization of a Series of MnIIIOR Complexes, Including a Water-Soluble MnIIIOH That Promotes Aerobic Hydrogen-Atom Transfer","Inorganic Chemistry","2013","52","","12383","12393","10.1021/ic401234t","","","0.71073","MoKα","","0.0326","0.0265","","","0.0634","0.0668","","","","","","1.041","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336526","31.099","0.002","14.0709","0.0008","12.1715","0.0007","90","","91.213","0.004","90","","5324.9","0.6","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","michael069","michael069","","- C19 H32 F6 Mn N6 O3 P S -","- C19 H32 F6 Mn N6 O3 P S -","- C152 H256 F48 Mn8 N48 O24 P8 S8 -","8","1","","Michael K. Coggins; Lisa M. Brines; Julie A. Kovacs","Synthesis and Structural Characterization of a Series of MnIIIOR Complexes, Including a Water-Soluble MnIIIOH That Promotes Aerobic Hydrogen-Atom Transfer","Inorganic Chemistry","2013","52","","12383","12393","10.1021/ic401234t","","","0.71073","MoKα","","0.0594","0.0506","","","0.1059","0.1099","","","","","","1.169","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336527","10.6455","0.0005","11.183","0.0006","11.4638","0.0006","79.037","0.001","84.647","0.001","71.816","0.001","1272.09","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 O11 U -","- C26 H22 O11 U -","- C52 H44 O22 U2 -","2","1","","Weiting Yang; Song Dang; Hao Wang; Tao Tian; Qing-Jiang Pan; Zhong-Ming Sun","Synthesis, Structures, and Properties of Uranyl Hybrids Constructed by a Variety of Mono- and Polycarboxylic Acids","Inorganic Chemistry","2013","52","","12394","12402","10.1021/ic4012444","","","0.71073","MoKα","","0.0334","0.0287","","","0.0677","0.0697","","","","","","1.057","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336528","9.435","0.002","9.543","0.002","18.302","0.004","83.054","0.004","80.725","0.004","80.128","0.004","1594.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 O19 U2 Zn -","- C26 H21 O19 U2 Zn -","- C52 H42 O38 U4 Zn2 -","2","1","","Weiting Yang; Song Dang; Hao Wang; Tao Tian; Qing-Jiang Pan; Zhong-Ming Sun","Synthesis, Structures, and Properties of Uranyl Hybrids Constructed by a Variety of Mono- and Polycarboxylic Acids","Inorganic Chemistry","2013","52","","12394","12402","10.1021/ic4012444","","","0.71073","MoKα","","0.0666","0.0453","","","0.1051","0.124","","","","","","1.028","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336529","9.2754","0.0009","12.4668","0.0012","12.7002","0.0012","90","","91.79","0.002","90","","1467.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 N3 O7 U -","- C13 H8 N3 O7 U -","- C52 H32 N12 O28 U4 -","4","1","","Weiting Yang; Song Dang; Hao Wang; Tao Tian; Qing-Jiang Pan; Zhong-Ming Sun","Synthesis, Structures, and Properties of Uranyl Hybrids Constructed by a Variety of Mono- and Polycarboxylic Acids","Inorganic Chemistry","2013","52","","12394","12402","10.1021/ic4012444","","","0.71073","MoKα","","0.0623","0.0375","","","0.0665","0.0756","","","","","","0.997","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336530","7.5465","0.001","19.876","0.003","12.935","0.0017","90","","100.948","0.002","90","","1904.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H11 N3 O8 U -","- C19 H11 N3 O8 U -","- C76 H44 N12 O32 U4 -","4","1","","Weiting Yang; Song Dang; Hao Wang; Tao Tian; Qing-Jiang Pan; Zhong-Ming Sun","Synthesis, Structures, and Properties of Uranyl Hybrids Constructed by a Variety of Mono- and Polycarboxylic Acids","Inorganic Chemistry","2013","52","","12394","12402","10.1021/ic4012444","","","0.71073","MoKα","","0.0422","0.0321","","","0.0778","0.0828","","","","","","0.993","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336531","24.0648","0.0014","10.8935","0.0006","15.181","0.0009","90","","97.925","0.001","90","","3941.7","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 N6 O12 U -","- C44 H32 N6 O12 U -","- C176 H128 N24 O48 U4 -","4","0.5","","Weiting Yang; Song Dang; Hao Wang; Tao Tian; Qing-Jiang Pan; Zhong-Ming Sun","Synthesis, Structures, and Properties of Uranyl Hybrids Constructed by a Variety of Mono- and Polycarboxylic Acids","Inorganic Chemistry","2013","52","","12394","12402","10.1021/ic4012444","","","0.71073","MoKα","","0.0278","0.0224","","","0.05","0.052","","","","","","1.039","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336532","8.8559","0.0014","9.0269","0.0014","14.43","0.002","88.123","0.003","80.122","0.003","74.356","0.003","1094.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N2 O6 U -","- C24 H18 N2 O6 U -","- C48 H36 N4 O12 U2 -","2","1","","Weiting Yang; Song Dang; Hao Wang; Tao Tian; Qing-Jiang Pan; Zhong-Ming Sun","Synthesis, Structures, and Properties of Uranyl Hybrids Constructed by a Variety of Mono- and Polycarboxylic Acids","Inorganic Chemistry","2013","52","","12394","12402","10.1021/ic4012444","","","0.71073","MoKα","","0.0569","0.0431","","","0.0875","0.0989","","","","","","1.016","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336533","25.0976","0.0009","11.7435","0.0004","20.7722","0.0008","90","","123.564","0.001","90","","5101.5","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H34 N6 O16 U2 Zn -","- C54 H34 N6 O16 U2 Zn -","- C216 H136 N24 O64 U8 Zn4 -","4","0.5","","Weiting Yang; Song Dang; Hao Wang; Tao Tian; Qing-Jiang Pan; Zhong-Ming Sun","Synthesis, Structures, and Properties of Uranyl Hybrids Constructed by a Variety of Mono- and Polycarboxylic Acids","Inorganic Chemistry","2013","52","","12394","12402","10.1021/ic4012444","","","0.71073","MoKα","","0.0299","0.0234","","","0.0491","0.0513","","","","","","1.007","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336534","9.4854","0.0005","13.3798","0.0007","15.5233","0.0008","102.291","0.001","102.285","0.001","110.355","0.001","1714","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H29 N4 O8 U Zn -","- C38 H29 N4 O8 U Zn -","- C76 H58 N8 O16 U2 Zn2 -","2","1","","Weiting Yang; Song Dang; Hao Wang; Tao Tian; Qing-Jiang Pan; Zhong-Ming Sun","Synthesis, Structures, and Properties of Uranyl Hybrids Constructed by a Variety of Mono- and Polycarboxylic Acids","Inorganic Chemistry","2013","52","","12394","12402","10.1021/ic4012444","","","0.71073","MoKα","","0.0368","0.0305","","","0.0686","0.0712","","","","","","1.004","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336535","10.0514","0.00013","20.2091","0.0003","18.6537","0.0002","90","","102.128","0.0013","90","","3704.55","0.08","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H53 Li Mg N6 O Si3 -","- C31 H53 Li Mg N6 O Si3 -","- C124 H212 Li4 Mg4 N24 O4 Si12 -","4","1","","Fabrizio Ortu; Graeme J. Moxey; Alexander J. Blake; William Lewis; Deborah L. Kays","Alkaline Earth Complexes of Silylated Aminopyridinato Ligands: Homoleptic Compounds and Heterobimetallic Coordination Polymers","Inorganic Chemistry","2013","52","","12429","12439","10.1021/ic4012923","","","1.5418","CuKα","","0.0339","0.0312","","","0.0863","0.0887","","","","","","1.04","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336536","14.047","0.0005","18.5192","0.0006","16.9551","0.0006","90","","102.838","0.004","90","","4300.4","0.3","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 Ca N4 O2 Si2 -","- C46 H54 Ca N4 O2 Si2 -","- C184 H216 Ca4 N16 O8 Si8 -","4","1","","Fabrizio Ortu; Graeme J. Moxey; Alexander J. Blake; William Lewis; Deborah L. Kays","Alkaline Earth Complexes of Silylated Aminopyridinato Ligands: Homoleptic Compounds and Heterobimetallic Coordination Polymers","Inorganic Chemistry","2013","52","","12429","12439","10.1021/ic4012923","","","1.54178","CuKα","","0.144","0.126","","","0.241","0.25","","","","","","1.08","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336537","30.265","0.004","11.2304","0.0015","42.062","0.006","90","","102.877","0.002","90","","13937","3","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H90 Ca2 K2 N12 Si6 -","- C54 H90 Ca2 K2 N12 Si6 -","- C432 H720 Ca16 K16 N96 Si48 -","8","1","","Fabrizio Ortu; Graeme J. Moxey; Alexander J. Blake; William Lewis; Deborah L. Kays","Alkaline Earth Complexes of Silylated Aminopyridinato Ligands: Homoleptic Compounds and Heterobimetallic Coordination Polymers","Inorganic Chemistry","2013","52","","12429","12439","10.1021/ic4012923","","","0.71073","MoKα","","0.1381","0.1104","","","0.1864","0.1958","","","","","","1.26","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336538","17.4769","0.001","12.6948","0.0005","13.5233","0.0008","90","","118.782","0.008","90","","2629.7","0.3","90","2","90","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C22 H39 Li Mg N4 Si2 -","- C22 H39 Li Mg N4 Si2 -","- C88 H156 Li4 Mg4 N16 Si8 -","4","1","","Fabrizio Ortu; Graeme J. Moxey; Alexander J. Blake; William Lewis; Deborah L. Kays","Alkaline Earth Complexes of Silylated Aminopyridinato Ligands: Homoleptic Compounds and Heterobimetallic Coordination Polymers","Inorganic Chemistry","2013","52","","12429","12439","10.1021/ic4012923","","","1.54184","CuKα","","0.0556","0.0476","","","0.1189","0.1248","","","","","","1.068","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336539","15.2988","0.0014","5.8431","0.0004","25.917","0.002","90","","97.044","0.009","90","","2299.3","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H22 N6 O2 S2 -","- C18 H22 N6 O2 S2 -","- C72 H88 N24 O8 S8 -","4","1","","Wei Su; Quanquan Qian; Peiyuan Li; Xiaolin Lei; Qi Xiao; Shan Huang; Chusheng Huang; Jianguo Cui","Synthesis, Characterization, and Anticancer Activity of a Series of Ketone-N4-Substituted Thiosemicarbazones and Their Ruthenium(II) Arene Complexes","Inorganic Chemistry","2013","52","","12440","12449","10.1021/ic401362s","","","0.7107","MoKα","","0.0947","0.0723","","","0.2127","0.2367","","","","","","1.054","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336540","5.6023","0.0003","10.2081","0.0004","29.8821","0.0012","90","","92.96","0.004","90","","1706.64","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 S -","- C20 H17 N3 S -","- C80 H68 N12 S4 -","4","1","","Wei Su; Quanquan Qian; Peiyuan Li; Xiaolin Lei; Qi Xiao; Shan Huang; Chusheng Huang; Jianguo Cui","Synthesis, Characterization, and Anticancer Activity of a Series of Ketone-N4-Substituted Thiosemicarbazones and Their Ruthenium(II) Arene Complexes","Inorganic Chemistry","2013","52","","12440","12449","10.1021/ic401362s","","","0.7107","MoKα","","0.0668","0.0496","","","0.115","0.1267","","","","","","1.077","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336541","15.0058","0.0004","9.1451","0.0002","14.6149","0.0004","90","","112.668","0.003","90","","1850.67","0.09","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 N3 O0 Ru S -","- C14 H23 Cl2 N3 Ru S -","- C56 H92 Cl8 N12 Ru4 S4 -","4","1","","Wei Su; Quanquan Qian; Peiyuan Li; Xiaolin Lei; Qi Xiao; Shan Huang; Chusheng Huang; Jianguo Cui","Synthesis, Characterization, and Anticancer Activity of a Series of Ketone-N4-Substituted Thiosemicarbazones and Their Ruthenium(II) Arene Complexes","Inorganic Chemistry","2013","52","","12440","12449","10.1021/ic401362s","","","0.7107","MoKα","","0.0395","0.0291","","","0.0647","0.0691","","","","","","1.044","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336542","9.1282","0.0005","10.8602","0.0006","11.0433","0.0006","92.243","0.005","102.438","0.005","114.849","0.005","959.66","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H25 Cl2 N3 Ru S -","- C15 H25 Cl2 N3 Ru S -","- C30 H50 Cl4 N6 Ru2 S2 -","2","1","","Wei Su; Quanquan Qian; Peiyuan Li; Xiaolin Lei; Qi Xiao; Shan Huang; Chusheng Huang; Jianguo Cui","Synthesis, Characterization, and Anticancer Activity of a Series of Ketone-N4-Substituted Thiosemicarbazones and Their Ruthenium(II) Arene Complexes","Inorganic Chemistry","2013","52","","12440","12449","10.1021/ic401362s","","","0.7107","MoKα","","0.0429","0.0343","","","0.075","0.0832","","","","","","1.06","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336543","9.8347","0.0004","10.3501","0.0006","12.009","0.0005","76.142","0.004","71.965","0.004","84.612","0.004","1128.25","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H27 Cl2 N3 Ru S -","- C20 H27 Cl2 N3 Ru S -","- C40 H54 Cl4 N6 Ru2 S2 -","2","1","","Wei Su; Quanquan Qian; Peiyuan Li; Xiaolin Lei; Qi Xiao; Shan Huang; Chusheng Huang; Jianguo Cui","Synthesis, Characterization, and Anticancer Activity of a Series of Ketone-N4-Substituted Thiosemicarbazones and Their Ruthenium(II) Arene Complexes","Inorganic Chemistry","2013","52","","12440","12449","10.1021/ic401362s","","","0.7107","MoKα","","0.0439","0.0353","","","0.0707","0.0772","","","","","","1.056","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336544","9.5604","0.0004","10.2639","0.0004","11.8418","0.0005","93.671","0.003","110.623","0.004","99.169","0.003","1064.52","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H0.5 Cl2 N3 Ru S -","- C19 H25 Cl2 N3 Ru S -","- C38 H50 Cl4 N6 Ru2 S2 -","2","1","","Wei Su; Quanquan Qian; Peiyuan Li; Xiaolin Lei; Qi Xiao; Shan Huang; Chusheng Huang; Jianguo Cui","Synthesis, Characterization, and Anticancer Activity of a Series of Ketone-N4-Substituted Thiosemicarbazones and Their Ruthenium(II) Arene Complexes","Inorganic Chemistry","2013","52","","12440","12449","10.1021/ic401362s","","","0.7107","MoKα","","0.0453","0.0356","","","0.0764","0.0823","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336545","9.9135","0.0005","11.8264","0.0005","12.9485","0.0005","106.537","0.004","102.353","0.004","107.465","0.004","1311.72","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H0.5 Cl5 N3 Ru S -","- C21 H28 Cl5 N3 Ru S -","- C42 H56 Cl10 N6 Ru2 S2 -","2","1","","Wei Su; Quanquan Qian; Peiyuan Li; Xiaolin Lei; Qi Xiao; Shan Huang; Chusheng Huang; Jianguo Cui","Synthesis, Characterization, and Anticancer Activity of a Series of Ketone-N4-Substituted Thiosemicarbazones and Their Ruthenium(II) Arene Complexes","Inorganic Chemistry","2013","52","","12440","12449","10.1021/ic401362s","","","0.7107","MoKα","","0.0583","0.0441","","","0.0809","0.0922","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336546","9.9199","0.0004","11.3989","0.0005","13.7623","0.0005","90.441","0.003","104.198","0.003","94.091","0.004","1504.29","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H0.5 Cl5 N3 Ru S -","- C26 H30 Cl5 N3 Ru S -","- C52 H60 Cl10 N6 Ru2 S2 -","2","1","","Wei Su; Quanquan Qian; Peiyuan Li; Xiaolin Lei; Qi Xiao; Shan Huang; Chusheng Huang; Jianguo Cui","Synthesis, Characterization, and Anticancer Activity of a Series of Ketone-N4-Substituted Thiosemicarbazones and Their Ruthenium(II) Arene Complexes","Inorganic Chemistry","2013","52","","12440","12449","10.1021/ic401362s","","","0.7107","MoKα","","0.0484","0.0383","","","0.0856","0.0915","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336547","10.436","0.0004","18.1288","0.0006","14.6373","0.0005","90","","96.078","0.003","90","","2753.7","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H0.25 Cl N3 Ru S -","- C30 H30 Cl N3 Ru S -","- C120 H120 Cl4 N12 Ru4 S4 -","4","1","","Wei Su; Quanquan Qian; Peiyuan Li; Xiaolin Lei; Qi Xiao; Shan Huang; Chusheng Huang; Jianguo Cui","Synthesis, Characterization, and Anticancer Activity of a Series of Ketone-N4-Substituted Thiosemicarbazones and Their Ruthenium(II) Arene Complexes","Inorganic Chemistry","2013","52","","12440","12449","10.1021/ic401362s","","","0.7107","MoKα","","0.0452","0.0318","","","0.0706","0.0762","","","","","","1.044","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336548","11.534","0.0007","13.0467","0.0009","13.4417","0.0008","87.947","0.002","88.88","0.001","76.016","0.002","1961.4","0.2","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H58 I8 Mo6 O12 P2 -","- C72 H58 I8 Mo6 O12 P2 -","- C72 H58 I8 Mo6 O12 P2 -","1","0.5","","Maxim N. Sokolov; Maxim A. Mikhailov; Konstantin A. Brylev; Alexander V. Virovets; Cristian Vicent; Nikolay B. Kompankov; Noboru Kitamura; Vladimir P. Fedin","Alkynyl Complexes of High-Valence Clusters. Synthesis and Luminescence Properties of [Mo6I8(C\τbCC(O)OMe)6]2-, the First Complex with Exclusively Organometallic Outer Ligands in the Family of Octahedral {M6X8} Clusters","Inorganic Chemistry","2013","52","","12477","12481","10.1021/ic401377g","","","0.71073","MoKα","","0.0972","0.0462","","","0.0907","0.1108","","","","","","0.971","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336549","14.23","0.005","10.235","0.003","11.719","0.003","90","","96.81","0.03","90","","1694.8","0.9","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C28 H40 Cl6 N6 -","- C27.996 H39.996 Cl5.988 N6 -","- C55.992 H79.992 Cl11.976 N12 -","2","0.5","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.1094","0.0496","","","0.0855","0.1083","","","","","","1.019","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336550","10.696","0.003","15.383","0.004","18.385","0.007","90","","90","","90","","3025","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40.8 Ho N9 O10.4 -","- C26 H40 Ho N9 O10.354 -","- C104 H160 Ho4 N36 O41.416 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0351","0.0283","","","0.0485","0.0496","","","","","","1.004","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336551","10.673","0.003","15.323","0.006","18.406","0.006","90","","90","","90","","3010.2","1.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40.6 Er N9 O10.3 -","- C26 H40 Er N9 O10.257 -","- C104 H160 Er4 N36 O41.028 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0325","0.0262","","","0.0489","0.0499","","","","","","1.004","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336552","10.692","0.003","12.469","0.003","24.045","0.006","90","","90","","90","","3205.6","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 N9 O12 Tm -","- C26 H44 N9 O12 Tm -","- C104 H176 N36 O48 Tm4 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0171","0.0157","","","0.0357","0.036","","","","","","1.014","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336553","10.69","0.003","12.451","0.003","24.008","0.004","90","","90","","90","","3195.5","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 Lu N9 O12 -","- C26 H44 Lu N9 O12 -","- C104 H176 Lu4 N36 O48 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0163","0.0152","","","0.0357","0.0359","","","","","","1.026","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336554","8.138","0.002","16.612","0.003","23.266","0.005","90","","90","","90","","3145.3","1.2","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 Cl3 N6 O4 Y -","- C27 H48 Cl3 N6 O4 Y -","- C108 H192 Cl12 N24 O16 Y4 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0495","0.0311","","","0.0528","0.0546","","","","","","1.007","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336555","7.969","0.002","18.679","0.005","20.558","0.005","90","","90","","90","","3060.1","1.3","102","2","102","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Cl3 N7 O Yb -","- C28 H43 Cl3 N7 O Yb -","- C112 H172 Cl12 N28 O4 Yb4 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0282","0.0252","","","0.056","0.0566","","","","","","1.006","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336556","14.358","0.005","15.289","0.005","15.568","0.004","90","","105.24","0.03","90","","3297.3","1.8","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H42 N9 O11 Sm -","- C26 H42 N9 O11 Sm -","- C104 H168 N36 O44 Sm4 -","4","2","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0467","0.0387","","","0.0659","0.0695","","","","","","1","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336557","20.453","0.005","15.18","0.003","11.963","0.004","90","","117.12","0.03","90","","3305.9","1.8","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H40.6 N9 O10.3 Tb -","- C26 H40 N9 O10.31 Tb -","- C104 H160 N36 O41.24 Tb4 -","4","1","","Aleksandra Gerus; Katarzyna Ślepokura; Jerzy Lisowski","Anion and Solvent Induced Chirality Inversion in Macrocyclic Lanthanide Complexes","Inorganic Chemistry","2013","52","","12450","12460","10.1021/ic401437r","","","0.71073","MoKα","","0.0302","0.0254","","","0.0445","0.0461","","","","","","1.013","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336558","10.23625","0.00014","5.90149","0.00007","29.997","0.0004","90","","93.6407","0.0011","90","","1808.44","0.04","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Ba4 Bi Ir3 O12 -","- Ba4 Bi Ir3 O12 -","- Ba24 Bi6 Ir18 O72 -","6","0.75","","Wojciech Miiller; Matthew T. Dunstan; Zixin Huang; Zakiah Mohamed; Brendan J. Kennedy; Maxim Avdeev; Chris D. Ling","Complex 5d Magnetism in a Novel S= 1/2 Trimer System, the 12L Hexagonal Perovskite Ba4BiIr3O12","Inorganic Chemistry","2013","52","","12461","12467","10.1021/ic4014619","powder diffraction","neutron","","","","","","","","","","0.08636","","1.39","","","","","","","has coordinates,has Fobs","179468","2020-10-21","18:00:00",""
"4336559","11.113","0.003","12.6","0.003","16.927","0.004","80.693","0.011","85.049","0.012","77.332","0.011","2278.9","1","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 Fe N4 S Si -","- C56 H52 Fe N4 S Si -","- C112 H104 Fe2 N8 S2 Si2 -","2","1","","Daniel J. Meininger; Jonathan D. Caranto; Hadi D. Arman; Zachary J. Tonzetich","Studies of Iron(III) Porphyrinates Containing Silanethiolate Ligands","Inorganic Chemistry","2013","52","","12468","12476","10.1021/ic401467k","","","0.71073","MoKα","","0.0687","0.0587","","","0.1288","0.1358","","","","","","1.008","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336560","13.4086","0.0005","14.4072","0.0007","17.3566","0.0012","110.724","0.008","102.571","0.007","95.034","0.007","3010.6","0.4","98","2","98","2","","","","","","","","6","P -1","-P 1","2","","","","- C133 H151 Fe2 N8 S2 Si2 -","- C133 H151 Fe2 N8 S2 Si2 -","- C133 H151 Fe2 N8 S2 Si2 -","1","0.5","","Daniel J. Meininger; Jonathan D. Caranto; Hadi D. Arman; Zachary J. Tonzetich","Studies of Iron(III) Porphyrinates Containing Silanethiolate Ligands","Inorganic Chemistry","2013","52","","12468","12476","10.1021/ic401467k","","","0.71073","MoKα","","0.0603","0.0561","","","0.1447","0.1471","","","","","","1.018","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336561","16.4254","0.0013","18.9508","0.0014","22.8901","0.0019","90","","108.668","0.008","90","","6750.2","1","98","2","98","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74.8 H68.6 Cl1.6 Fe N4 S Si -","- C74.8 H68.6 Cl1.6 Fe N4 S Si -","- C299.2 H274.4 Cl6.4 Fe4 N16 S4 Si4 -","4","1","","Daniel J. Meininger; Jonathan D. Caranto; Hadi D. Arman; Zachary J. Tonzetich","Studies of Iron(III) Porphyrinates Containing Silanethiolate Ligands","Inorganic Chemistry","2013","52","","12468","12476","10.1021/ic401467k","","","0.71073","MoKα","","0.1424","0.09","","","0.1813","0.1982","","","","","","1.034","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4336562","23.0929","0.0016","14.8314","0.001","19.2077","0.0011","90","","90","","90","","6578.6","0.7","98","2","98","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C82 H76 Fe N8 -","- C82 H76 Fe N8 -","- C328 H304 Fe4 N32 -","4","0.5","","Daniel J. Meininger; Jonathan D. Caranto; Hadi D. Arman; Zachary J. Tonzetich","Studies of Iron(III) Porphyrinates Containing Silanethiolate Ligands","Inorganic Chemistry","2013","52","","12468","12476","10.1021/ic401467k","","","0.71073","MoKα","","0.0697","0.0517","","","0.1251","0.1349","","","","","","1.029","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336563","16.8212","0.0007","23.8437","0.0011","25.1182","0.0011","85.672","0.003","75.425","0.002","70.659","0.002","9199.6","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C168 H119 Au6 Cu2 F12 N6 O24 P8 -","- C168 H119 Au6 Cu2 F12 N6 O24 P8 -","- C336 H238 Au12 Cu4 F24 N12 O48 P16 -","2","1","","D. V. Krupenya; P. A. Snegurov; E. V. Grachova; V. V. Gurzhiy; S. P. Tunik; A. S. Melnikov; P. Yu. Serdobintsev; E. G. Vlakh; E. S. Sinitsyna; T. B. Tennikova","New Supramolecular AuI-CuI Complex as Potential Luminescent Label for Proteins","Inorganic Chemistry","2013","52","","12521","12528","10.1021/ic401569n","","","0.71073","MoKα","","0.1156","0.0858","","","0.2325","0.2494","","","","","","1.076","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336564","15.181","0.002","15.181","0.002","9.129","0.0018","90","","90","","120","","1822","0.5","293","2","293","2","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Au0.18 Ga1.82 Na -","- Au0.1788 Ga1.8212 Na1.00333 -","- Au5.364 Ga54.636 Na30.1 -","30","1.25","","Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Polyclusters and Substitution Effects in the Na-Au-Ga System: Remarkable Sodium Bonding Characteristics in Polar Intermetallics","Inorganic Chemistry","2013","52","","12502","12510","10.1021/ic401580y","","","0.71073","MoKα","","0.0701","0.0495","","","0.1034","0.1127","","","","","","1.14","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336565","16.733","0.003","4.333","0.0009","7.358","0.0015","90","","90","","90","","533.49","0.18","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au2 Ga4 Na -","- Au2 Ga4 Na -","- Au8 Ga16 Na4 -","4","0.5","","Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Polyclusters and Substitution Effects in the Na-Au-Ga System: Remarkable Sodium Bonding Characteristics in Polar Intermetallics","Inorganic Chemistry","2013","52","","12502","12510","10.1021/ic401580y","","","0.71073","MoKα","","0.0901","0.0487","","","0.0761","0.0833","","","","","","1.055","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336566","10.754","0.0015","10.754","0.0015","11.457","0.002","90","","90","","120","","1147.5","0.3","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Au10 Ga16 Na5 -","- Au10 Ga16 Na5 -","- Au20 Ga32 Na10 -","2","0.166667","","Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Polyclusters and Substitution Effects in the Na-Au-Ga System: Remarkable Sodium Bonding Characteristics in Polar Intermetallics","Inorganic Chemistry","2013","52","","12502","12510","10.1021/ic401580y","","","0.71073","MoKα","","0.0533","0.0332","","","0.0551","0.0595","","","","","","1.016","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336567","8.2927","0.0017","7.361","0.0015","9.2201","0.0018","90","","116.15","0.03","90","","505.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Au4 Ga2 Na -","- Au4 Ga2 Na -","- Au16 Ga8 Na4 -","4","1","","Volodymyr Smetana; Gordon J. Miller; John D. Corbett","Polyclusters and Substitution Effects in the Na-Au-Ga System: Remarkable Sodium Bonding Characteristics in Polar Intermetallics","Inorganic Chemistry","2013","52","","12502","12510","10.1021/ic401580y","","","0.71073","MoKα","","0.0367","0.0281","","","0.0582","0.061","","","","","","1.03","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336568","9.7724","0.0004","24.1791","0.0009","18.0905","0.0007","90","","96.535","0.001","90","","4246.8","0.3","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 B F4 O12 Ru2 -","- C36 H48 B F4.016 O12 Ru2 -","- C144 H192 B4 F16.064 O48 Ru8 -","4","1","","Leslie Villalobos; Julia E. Barker Paredes; Zhi Cao; Tong Ren","tert-Butyl Hydroperoxide Oxygenation of Organic Sulfides Catalyzed by Diruthenium(II,III) Tetracarboxylates","Inorganic Chemistry","2013","52","","12545","12552","10.1021/ic401588j","","","0.71073","MoKα","","0.0522","0.0372","","","0.0977","0.1051","","","","","","1.014","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336569","11.498","0.0005","12.8791","0.0006","13.5151","0.0006","82.461","0.002","74.585","0.002","87.786","0.002","1912.68","0.15","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H38 Cl Co F12 N6 P2 -","- C36 H38 Cl Co F12 N6 P2 -","- C72 H76 Cl2 Co2 F24 N12 P4 -","2","1","","Sivaraman Jagadeesan; Vimalkumar Balasubramanian; Patric Baumann; Markus Neuburger; Daniel Häussinger; Cornelia G. Palivan","Water-Soluble Co(III) Complexes of Substituted Phenanthrolines with Cell Selective Anticancer Activity","Inorganic Chemistry","2013","52","","12535","12544","10.1021/ic4016228","","","0.71073","MoKα","","0.0567","0.0399","","0.0691","0.0415","0.0394","","","","","","1.0912","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336570","13.8591","0.0007","15.7174","0.0009","13.386","0.0008","90","","99.546","0.003","90","","2875.5","0.3","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25.5 Cl2 Co F6 N4.5 P -","- C29 H25.5 Cl2 Co F6 N4.5 P -","- C116 H102 Cl8 Co4 F24 N18 P4 -","4","1","","Sivaraman Jagadeesan; Vimalkumar Balasubramanian; Patric Baumann; Markus Neuburger; Daniel Häussinger; Cornelia G. Palivan","Water-Soluble Co(III) Complexes of Substituted Phenanthrolines with Cell Selective Anticancer Activity","Inorganic Chemistry","2013","52","","12535","12544","10.1021/ic4016228","","","0.71073","MoKα","","0.0782","0.0461","","0.0517","0.0321","0.032","","","","","","1.1089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336571","16.7159","0.0007","14.2108","0.0007","13.713","0.0006","90","","108.188","0.002","90","","3094.7","0.2","123","","123","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cl2 Co F6 N4 P -","- C28 H24 Cl2 Co F6 N4 P -","- C112 H96 Cl8 Co4 F24 N16 P4 -","4","0.5","","Sivaraman Jagadeesan; Vimalkumar Balasubramanian; Patric Baumann; Markus Neuburger; Daniel Häussinger; Cornelia G. Palivan","Water-Soluble Co(III) Complexes of Substituted Phenanthrolines with Cell Selective Anticancer Activity","Inorganic Chemistry","2013","52","","12535","12544","10.1021/ic4016228","","","0.71073","MoKα","","0.0911","0.0539","","0.0932","0.0589","0.0563","","","","","","1.1857","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336572","16.7159","0.0007","14.2108","0.0007","13.713","0.0006","90","","108.188","0.002","90","","3094.7","0.2","123","","123","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C28.7 H28.1 Cl2 Co F6 N4 O0.7 P -","- C28.7 H28.1 Cl2 Co F6 N4 O0.7 P -","- C114.8 H112.4 Cl8 Co4 F24 N16 O2.8 P4 -","4","0.5","","Sivaraman Jagadeesan; Vimalkumar Balasubramanian; Patric Baumann; Markus Neuburger; Daniel Häussinger; Cornelia G. Palivan","Water-Soluble Co(III) Complexes of Substituted Phenanthrolines with Cell Selective Anticancer Activity","Inorganic Chemistry","2013","52","","12535","12544","10.1021/ic4016228","","","0.71073","MoKα","","0.0947","0.0548","","0.0895","0.0524","0.0516","","","","","","1.0961","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336573","39.7766","0.0015","8.8488","0.0004","20.69","0.0007","90","","101.639","0.002","90","","7132.6","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 F6 N7 O5 P Ru -","- C32 H30 F6 N7 O5 P Ru -","- C256 H240 F48 N56 O40 P8 Ru8 -","8","1","","Matthew A. Bork; Hunter B. Vibbert; David J. Stewart; Phillip E. Fanwick; David R. McMillin","Varying Substituents and Solvents To Maximize the Luminescence from [Ru(trpy)(bpy)CN]+ Derivatives","Inorganic Chemistry","2013","52","","12553","12560","10.1021/ic4016367","","","1.54178","CuKα","","0.0453","0.0384","","","0.1016","0.1058","","","","","","1.094","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336574","18.6742","0.0003","7.35125","0.0001","16.3025","0.0003","90","","110.441","0.0019","90","","2097.06","0.06","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cl5 Ga N2 O2 -","- C20 H12 Cl5 Ga N2 O2 -","- C80 H48 Cl20 Ga4 N8 O8 -","4","0.5","","Clare Bakewell; Andrew J. P. White; Nicholas J. Long; Charlotte K. Williams","8-Quinolinolato Gallium Complexes: Iso-selective Initiators for rac-Lactide Polymerization","Inorganic Chemistry","2013","52","","12561","12567","10.1021/ic4016756","","","0.71073","MoKα","","0.0318","0.0255","","","0.0643","0.0678","","","","","","1.076","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336575","10.1961","0.0003","14.4367","0.0004","18.711","0.0005","102.96","0.002","103.029","0.002","105.859","0.002","2458.16","0.13","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H21 Cl4 Ga N2 O3 -","- C24 H21 Cl4 Ga N2 O3 -","- C96 H84 Cl16 Ga4 N8 O12 -","4","2","","Clare Bakewell; Andrew J. P. White; Nicholas J. Long; Charlotte K. Williams","8-Quinolinolato Gallium Complexes: Iso-selective Initiators for rac-Lactide Polymerization","Inorganic Chemistry","2013","52","","12561","12567","10.1021/ic4016756","","","0.71073","MoKα","","0.0538","0.0365","","","0.0884","0.0949","","","","","","1.047","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336576","9.497","0.0003","13.1531","0.0005","19.3474","0.0008","93.477","0.003","100.573","0.003","103.62","0.003","2295.26","0.15","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H28 Cl8 Ga2 N4 O5 -","- C43.5 H28 Cl8 Ga2 N4 O5 -","- C87 H56 Cl16 Ga4 N8 O10 -","2","1","","Clare Bakewell; Andrew J. P. White; Nicholas J. Long; Charlotte K. Williams","8-Quinolinolato Gallium Complexes: Iso-selective Initiators for rac-Lactide Polymerization","Inorganic Chemistry","2013","52","","12561","12567","10.1021/ic4016756","","","0.71073","MoKα","","0.0605","0.0444","","","0.1109","0.1202","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336577","7.8816","0.0003","11.8745","0.0004","15.4519","0.0004","67.523","0.001","77.78","0.001","76.229","0.002","1286.09","0.07","240","2","240","2","","","","","","","","8","P -1","-P 1","2","","","","- C21 H29 Cl Co F6 N2 O4 P -","- C21 H29 Cl Co F6 N2 O4 P -","- C42 H58 Cl2 Co2 F12 N4 O8 P2 -","2","1","","Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita","Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media","Inorganic Chemistry","2013","52","","12576","12586","10.1021/ic401707u","","","0.71073","MoKα","","0.0556","0.0421","","","0.1125","0.1212","","","","","","0.972","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4336578","20.8593","0.0008","13.1216","0.0005","8.1713","0.0003","90","","90","","90","","2236.55","0.15","173","2","173","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C20 H23 Cl Co F6 N2 O2 P -","- C20 H23 Cl Co F6 N2 O2 P -","- C80 H92 Cl4 Co4 F24 N8 O8 P4 -","4","0.5","","Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita","Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media","Inorganic Chemistry","2013","52","","12576","12586","10.1021/ic401707u","","","0.71073","MoKα","","0.0483","0.0371","","","0.0965","0.1032","","","","","","1.025","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336579","20.3573","0.0009","11.6229","0.0005","9.4728","0.0004","90","","99.417","0.002","90","","2211.16","0.17","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H31 Co N2 O7 -","- C20 H29 Co N2 O7 -","- C80 H116 Co4 N8 O28 -","4","0.5","","Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita","Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media","Inorganic Chemistry","2013","52","","12576","12586","10.1021/ic401707u","","","0.71073","MoKα","","0.0413","0.0356","","","0.0996","0.1032","","","","","","1.102","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336580","35.053","0.0007","35.053","0.0007","21.4741","0.0008","90","","90","","120","","22850.5","1.1","173","2","173","2","","","","","","","","7","R 3 c :H","R 3 -2""c","161","","","","- C44 H48.67 Co1.33 F12 N8 O13.33 P2 -","- C44 H46 Co1.33333 F12 N8 O13.3333 P2 -","- C792 H828 Co24 F216 N144 O240 P36 -","18","1","","Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita","Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media","Inorganic Chemistry","2013","52","","12576","12586","10.1021/ic401707u","","","0.71073","MoKα","","0.1285","0.0492","","","0.0533","0.0636","","","","","","0.823","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336581","11.0463","0.0016","14.809","0.002","16.66","0.002","90","","97.837","0.007","90","","2699.9","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Co F6 N4 O2 P -","- C24 H28 Co F6 N4 O2 P -","- C96 H112 Co4 F24 N16 O8 P4 -","4","1","","Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita","Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media","Inorganic Chemistry","2013","52","","12576","12586","10.1021/ic401707u","","","0.71073","MoKα","","0.1068","0.0732","","","0.1904","0.2102","","","","","","1.035","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336582","12.5005","0.0009","13.0199","0.0009","17.9816","0.0014","107.289","0.004","93.757","0.003","105.911","0.003","2652.7","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H35 B Cl Co F24 N2 O2 -","- C52 H35 B Cl Co F24 N2 O2 -","- C104 H70 B2 Cl2 Co2 F48 N4 O4 -","2","1","","Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita","Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media","Inorganic Chemistry","2013","52","","12576","12586","10.1021/ic401707u","","","0.71073","MoKα","","0.1365","0.0782","","","0.2156","0.2365","","","","","","1.065","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336583","18.3053","0.0004","13.7628","0.0004","18.4726","0.0005","90","","90","","90","","4653.8","0.2","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H23 Cl Co F3 N2 O3 S -","- C21 H23 Cl Co F3 N2 O3 S -","- C168 H184 Cl8 Co8 F24 N16 O24 S8 -","8","1","","Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita","Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media","Inorganic Chemistry","2013","52","","12576","12586","10.1021/ic401707u","","","0.71073","MoKα","","0.0665","0.0394","","","0.1002","0.1153","","","","","","1.016","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336584","12.885","0.0012","12.9141","0.0013","27.207","0.002","90","","90","","90","","4527.2","0.7","296","2","296","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C20 H23 Cl Co F6 N2 P -","- C20 H23 Cl Co F6 N2 P -","- C160 H184 Cl8 Co8 F48 N16 P8 -","8","","","Yosra M. Badiei; Wan-Hui Wang; Jonathan F. Hull; David J. Szalda; James T. Muckerman; Yuichiro Himeda; Etsuko Fujita","Cp*Co(III) Catalysts with Proton-Responsive Ligands for Carbon Dioxide Hydrogenation in Aqueous Media","Inorganic Chemistry","2013","52","","12576","12586","10.1021/ic401707u","","","0.71073","MoKα","","0.1368","0.0665","","","0.1677","0.1898","","","","","","1.046","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336585","13.9365","0.0012","14.7478","0.0013","15.1427","0.0014","116.061","0.0017","91.5854","0.0016","114.678","0.0015","2454.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Mo2(3,5-tBu2Cat)6 . 4 C6D6","Hexakis(3,5-di-tert-butylcatecholato)dimolybdenum(VI) tetrakis(deuterobenzene) solvate","","- C108 H120 D24 Mo2 O12 -","- C108 H120 D24 Mo2 O12 -","- C108 H120 D24 Mo2 O12 -","1","0.5","","Amanda H. Randolph; Nicholas J. Seewald; Karl Rickert; and Seth N. Brown","Tris(3,5-di-tert-butylcatecholato)molybdenum(VI): Lewis Acidity and Nonclassical Oxygen Atom Transfer Reactions","Inorganic Chemistry","2013","52","","12587","12598","10.1021/ic401736f","","","0.71073","MoKα","","0.0631","0.0417","","","0.0784","0.0864","","","","","","1.017","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336586","10.5873","0.0017","12.436","0.002","18.282","0.003","91.913","0.004","95.778","0.004","101.514","0.004","2343.1","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","(3,5-tBu2Cat)3Mo(py)","Tris(3,5-di-tert-butylcatecholato)(pyridine)molybdenum(VI) acetonitrile solvate","","- C49 H68 Mo N2 O6 -","- C49 H68 Mo N2 O6 -","- C98 H136 Mo2 N4 O12 -","2","1","","Amanda H. Randolph; Nicholas J. Seewald; Karl Rickert; and Seth N. Brown","Tris(3,5-di-tert-butylcatecholato)molybdenum(VI): Lewis Acidity and Nonclassical Oxygen Atom Transfer Reactions","Inorganic Chemistry","2013","52","","12587","12598","10.1021/ic401736f","","","0.71073","MoKα","","0.0701","0.0419","","","0.0834","0.0929","","","","","","1.012","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336587","7.6975","0.0003","18.2843","0.0007","22.0603","0.0009","90","","90","","90","","3104.8","0.2","294","2","294","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- F19 Fe6 K3 -","- F19 Fe6 K3 -","- F152 Fe48 K24 -","8","0.5","","Francesco Mezzadri; Gianluca Calestani; Lara Righi; Chiara Pernechele; Massimo Solzi; Clemens Ritter","Triangular Exchange Interaction Patterns in K3Fe6F19: An Iron Potassium Fluoride with a Complex Tungsten Bronze Related Structure","Inorganic Chemistry","2013","52","","12599","12604","10.1021/ic401749q","","","0.71073","MoKα","","0.0497","0.0359","","","0.1034","0.1079","","","","","","1.361","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336588","11.3042","0.0006","14.4059","0.0008","18.3542","0.0009","103.699","0.005","101.997","0.004","101.522","0.005","2741.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[Mo2(DAniF)3]2(SOCCH4COS) 4.5CH2Cl2","","","- C102.5 H102 Cl9 Mo4 N12 O14 S2 -","- C102.5 H99 Cl9 Mo4 N12 O14 S2 -","- C102.5 H99 Cl9 Mo4 N12 O14 S2 -","1","0.5","","Xuan Xiao; Chun Y. Liu; Qiao He; Mei Juan Han; Miao Meng; Hao Lei; Xin Lu","Control of the Charge Distribution and Modulation of the Class II-III Transition in Weakly Coupled Mo2-Mo2 Systems","Inorganic Chemistry","2013","52","","12624","12633","10.1021/ic4017855","","","1.54178","CuKα","","0.0787","0.0681","","","0.1763","0.1886","","","","","","1.096","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336589","10.0805","0.0004","13.879","0.0007","20.4467","0.001","78.011","0.004","76.725","0.004","73.832","0.004","2642.3","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[Mo2(DAniF)3]2(OOCC6H4CSS) 5CH2Cl2","","","- C103 H98 Cl10 Mo4 N12 O14 S2 -","- C103 H98 Cl10 Mo4 N12 O14 S2 -","- C103 H98 Cl10 Mo4 N12 O14 S2 -","1","0.5","","Xuan Xiao; Chun Y. Liu; Qiao He; Mei Juan Han; Miao Meng; Hao Lei; Xin Lu","Control of the Charge Distribution and Modulation of the Class II-III Transition in Weakly Coupled Mo2-Mo2 Systems","Inorganic Chemistry","2013","52","","12624","12633","10.1021/ic4017855","","","1.54178","CuKα","","0.0675","0.0529","","","0.1325","0.1475","","","","","","0.915","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336590","28.602","0.005","28.602","0.005","25.675","0.004","90","","90","","120","","18190","5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C42 H41 Cl5 Ir P3 -","- C42 H39 Cl5 Ir P3 -","- C756 H702 Cl90 Ir18 P54 -","18","1","","Andreas Ross; Paul R. Sharp","Triphos Iridium(III) Halide Complex Photochemistry: Triphos Arm Dissociation","Inorganic Chemistry","2013","52","","12645","12654","10.1021/ic401835d","","","0.71073","MoKα","","0.0424","0.033","","","0.0807","0.0857","","","","","","1.158","","","","has coordinates,has disorder","179468","2020-10-21","18:00:00",""
"4336591","9.3968","0.0008","12.1564","0.0011","18.3349","0.0016","86.64","0.001","82.871","0.001","76.867","0.001","2022.9","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H46 Br2 Cl0 Ir O P3 -","- C44 H45 Br2 Ir O P3 -","- C88 H90 Br4 Ir2 O2 P6 -","2","1","","Andreas Ross; Paul R. Sharp","Triphos Iridium(III) Halide Complex Photochemistry: Triphos Arm Dissociation","Inorganic Chemistry","2013","52","","12645","12654","10.1021/ic401835d","","","0.71073","MoKα","","0.0424","0.0374","","","0.1026","0.1054","","","","","","1.077","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336592","10.222","0.0006","24.0503","0.0015","17.3481","0.0011","90","","102.004","0.003","90","","4171.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 Cl3 Ir N O P3 -","- C46 H44 Cl3 Ir N O P3 -","- C184 H176 Cl12 Ir4 N4 O4 P12 -","4","1","","Andreas Ross; Paul R. Sharp","Triphos Iridium(III) Halide Complex Photochemistry: Triphos Arm Dissociation","Inorganic Chemistry","2013","52","","12645","12654","10.1021/ic401835d","","","0.71073","MoKα","","0.0558","0.0352","","","0.077","0.0864","","","","","","1.032","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336593","19.152","0.003","19.152","0.003","19.152","0.003","90","","90","","90","","7024.9","1.9","110","2","110","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C144 H72 Cl0 Co3 Hf8 N12 O30 -","- C144 H72 Co3 Hf8 N12 O30 -","- C144 H72 Co3 Hf8 N12 O30 -","1","0.0208333","","Dawei Feng; Hai-Long Jiang; Ying-Pin Chen; Zhi-Yuan Gu; Zhangwen Wei; Hong-Cai Zhou","Metal-Organic Frameworks Based on Previously Unknown Zr8/Hf8 Cubic Clusters","Inorganic Chemistry","2013","52","","12661","12667","10.1021/ic4018536","","","0.71073","MoKα","","0.2412","0.1996","","","0.3387","0.3579","","","","","","1.288","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336594","19.51","0.03","19.51","0.03","19.51","0.03","90","","90","","90","","7426","2","173","2","173","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C144 H72 Cu3 N12 O30 Zr8 -","- C144 H72 Cu3 N12 O30 Zr8 -","- C144 H72 Cu3 N12 O30 Zr8 -","1","0.0208333","","Dawei Feng; Hai-Long Jiang; Ying-Pin Chen; Zhi-Yuan Gu; Zhangwen Wei; Hong-Cai Zhou","Metal-Organic Frameworks Based on Previously Unknown Zr8/Hf8 Cubic Clusters","Inorganic Chemistry","2013","52","","12661","12667","10.1021/ic4018536","","","0.71073","MoKα","","0.245","0.1924","","","0.4359","0.4573","","","","","","1.409","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336595","10.047","0.002","13.772","0.003","22.132","0.004","90","","91.05","0.03","90","","3061.8","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cu2 N8 O12 -","- C28 H24 Cu2 N8 O12 -","- C112 H96 Cu8 N32 O48 -","4","1","","Zhaohua Shi; Xiaoliang Tang; Xiaoyan Zhou; Ju Cheng; Qingxin Han; Ji-an Zhou; Bei Wang; Yanfang Yang; Weisheng Liu; Decheng Bai","A Highly Selective Fluorescence ""Turn-On"" Probe for Cu(II) Based on Reaction and Its Imaging in Living Cells","Inorganic Chemistry","2013","52","","12668","12673","10.1021/ic401865e","","","0.71073","MoKα","","0.1345","0.064","","","0.1114","0.1355","","","","","","1.014","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336596","35.964","0.013","9.425","0.003","19.587","0.008","90","","119.893","0.007","90","","5756","4","93","","93","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H46 Cl Ir N4 -","- C26 H46 Cl Ir N4 -","- C208 H368 Cl8 Ir8 N32 -","8","2","","David J. Nelson; Byron J. Truscott; Alexandra M. Z. Slawin; Steven P. Nolan","Synthesis and Reactivity of New Bis(N-heterocyclic carbene) Iridium(I) Complexes","Inorganic Chemistry","2013","52","","12674","12681","10.1021/ic4018773","","","0.71075","MoKα","","","0.0774","","","","0.1906","","","","","","1.088","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336597","28.701","0.005","27.81","0.005","13.601","0.003","90","","94.994","0.004","90","","10815","4","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H54 Cl Ir N4 -","- C30 H54 Cl Ir N4 -","- C360 H648 Cl12 Ir12 N48 -","12","3","","David J. Nelson; Byron J. Truscott; Alexandra M. Z. Slawin; Steven P. Nolan","Synthesis and Reactivity of New Bis(N-heterocyclic carbene) Iridium(I) Complexes","Inorganic Chemistry","2013","52","","12674","12681","10.1021/ic4018773","","","0.71075","MoKα","","","0.0962","","","","0.2364","","","","","","1.13","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336598","15.831","0.0018","23.242","0.003","35.736","0.004","90","","90","","90","","13149","3","93","","93","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H54 Cl Ir N4 -","- C30 H54 Cl Ir N4 -","- C480 H864 Cl16 Ir16 N64 -","16","2","","David J. Nelson; Byron J. Truscott; Alexandra M. Z. Slawin; Steven P. Nolan","Synthesis and Reactivity of New Bis(N-heterocyclic carbene) Iridium(I) Complexes","Inorganic Chemistry","2013","52","","12674","12681","10.1021/ic4018773","","","0.71075","MoKα","","","0.0862","","","","0.2087","","","","","","1.108","","","","has coordinates","179468","2020-10-21","18:00:00",""
"4336599","10.5268","0.0018","26.589","0.005","15.428","0.002","90","","90","","90","","4318.3","1.2","93","","93","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C40.5 H68 Cl Ir N4 -","- C40.5 H68 Cl Ir N4 -","- C162 H272 Cl4 Ir4 N16 -","4","1","","David J. Nelson; Byron J. Truscott; Alexandra M. Z. Slawin; Steven P. Nolan","Synthesis and Reactivity of New Bis(N-heterocyclic carbene) Iridium(I) Complexes","Inorganic Chemistry","2013","52","","12674","12681","10.1021/ic4018773","","","0.71075","MoKα","","","0.0609","","","","0.1682","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336600","10.586","0.002","14.087","0.003","21.972","0.005","100.058","0.007","101.758","0.008","96.621","0.007","3119.6","1.1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H110 Cl Ir N4 -","- C62 H110 Cl Ir N4 -","- C124 H220 Cl2 Ir2 N8 -","2","1","","David J. Nelson; Byron J. Truscott; Alexandra M. Z. Slawin; Steven P. Nolan","Synthesis and Reactivity of New Bis(N-heterocyclic carbene) Iridium(I) Complexes","Inorganic Chemistry","2013","52","","12674","12681","10.1021/ic4018773","","","0.71075","MoKα","","","0.0616","","","","0.1729","","","","","","1.107","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336601","27.009","0.004","4.5752","0.0007","16.727","0.003","90","","103.221","0.002","90","","2012.2","0.6","173","2","173","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","rubidium manganese cadmium antimonide (7/4/8/12)","rubidium manganese cadmium antimonide (7/4/8/12)","","- Cd8 Mn4 Rb7 Sb12 -","- Cd7.788 Mn4.212 Rb7 Sb12 -","- Cd15.576 Mn8.424 Rb14 Sb24 -","2","0.25","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Electron-Deficient Ternary and Quaternary Pnictides Rb4Zn7As7, Rb4Mn3.5Zn3.5Sb7, Rb7Mn12Sb12, and Rb7Mn4Cd8Sb12 with Corrugated Anionic Layers","Inorganic Chemistry","2013","52","","12682","12690","10.1021/ic401887b","","","0.71073","MoKα","","0.062","0.0342","","","0.057","0.0648","","","","","","0.992","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336602","4.1883","0.0004","24.844","0.002","17.6056","0.0017","90","","90","","90","","1831.9","0.3","173","2","173","2","","","","","","","","3","C m c m","-C 2c 2","63","rubidium zinc arsenide (4/7/7)","rubidium zinc arsenide (4/7/7)","","- As7 Rb4 Zn7 -","- As7 Rb4 Zn7 -","- As28 Rb16 Zn28 -","4","0.25","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Electron-Deficient Ternary and Quaternary Pnictides Rb4Zn7As7, Rb4Mn3.5Zn3.5Sb7, Rb7Mn12Sb12, and Rb7Mn4Cd8Sb12 with Corrugated Anionic Layers","Inorganic Chemistry","2013","52","","12682","12690","10.1021/ic401887b","","","0.71073","MoKα","","0.1311","0.0614","","","0.1293","0.1606","","","","","","1.028","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336603","4.3911","0.0008","26.546","0.005","18.743","0.004","90","","90","","90","","2184.8","0.7","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","rubidium manganese zinc antimonide (4/3.5/3.5/7)","rubidium manganese zinc antimonide (4/3.5/3.5/7)","","- Mn3.5 Rb4 Sb7 Zn3.5 -","- Mn3.414 Rb4 Sb7 Zn3.586 -","- Mn13.656 Rb16 Sb28 Zn14.344 -","4","0.25","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Electron-Deficient Ternary and Quaternary Pnictides Rb4Zn7As7, Rb4Mn3.5Zn3.5Sb7, Rb7Mn12Sb12, and Rb7Mn4Cd8Sb12 with Corrugated Anionic Layers","Inorganic Chemistry","2013","52","","12682","12690","10.1021/ic401887b","","","0.71073","MoKα","","0.0675","0.0341","","","0.059","0.0676","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336604","26.544","0.012","4.448","0.002","16.676","0.008","90","","103.183","0.008","90","","1917","1.5","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","rubidium manganese antimonide (7/12/12)","rubidium manganese antimonide (7/12/12)","","- Mn12 Rb7 Sb12 -","- Mn12 Rb7 Sb12 -","- Mn24 Rb14 Sb24 -","2","0.25","","Mansura Khatun; Stanislav S. Stoyko; Arthur Mar","Electron-Deficient Ternary and Quaternary Pnictides Rb4Zn7As7, Rb4Mn3.5Zn3.5Sb7, Rb7Mn12Sb12, and Rb7Mn4Cd8Sb12 with Corrugated Anionic Layers","Inorganic Chemistry","2013","52","","12682","12690","10.1021/ic401887b","","","0.71073","MoKα","","0.1921","0.0679","","","0.1023","0.1302","","","","","","1.073","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336605","11.052","0.005","11.394","0.006","11.926","0.006","83.451","0.008","73.891","0.008","65.508","0.008","1313","1.1","230","2","230","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 Mg N6 Si -","- C22 H40 Mg N6 Si -","- C44 H80 Mg2 N12 Si2 -","2","1","","Andrés Garcés; Luis F. Sánchez-Barba; Juan Fernández-Baeza; Antonio Otero; Manuel Honrado; Agustín Lara-Sánchez; Ana M. Rodríguez","Heteroscorpionate Magnesium Alkyls Bearing Unprecedented Apical σ-C(sp3)-Mg Bonds: Heteroselective Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2013","52","","12691","12701","10.1021/ic401915b","","","0.71073","MoKα","","0.1342","0.0652","","","0.1384","0.1753","","","","","","0.935","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336606","12.238","0.004","14.626","0.003","15.19","0.006","90","","97.45","0.05","90","","2696","1.5","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Mg N6 -","- C25 H36 Mg N6 -","- C100 H144 Mg4 N24 -","4","1","","Andrés Garcés; Luis F. Sánchez-Barba; Juan Fernández-Baeza; Antonio Otero; Manuel Honrado; Agustín Lara-Sánchez; Ana M. Rodríguez","Heteroscorpionate Magnesium Alkyls Bearing Unprecedented Apical σ-C(sp3)-Mg Bonds: Heteroselective Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2013","52","","12691","12701","10.1021/ic401915b","","","0.71073","MoKα","","0.1791","0.0704","","","0.1395","0.1847","","","","","","0.924","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336607","19.328","0.008","8.623","0.004","19.682","0.007","90","","109.98","0.012","90","","3083","2","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 Mg2 N6 O -","- C26 H46 Mg2 N6 O -","- C104 H184 Mg8 N24 O4 -","4","1","","Andrés Garcés; Luis F. Sánchez-Barba; Juan Fernández-Baeza; Antonio Otero; Manuel Honrado; Agustín Lara-Sánchez; Ana M. Rodríguez","Heteroscorpionate Magnesium Alkyls Bearing Unprecedented Apical σ-C(sp3)-Mg Bonds: Heteroselective Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2013","52","","12691","12701","10.1021/ic401915b","","","0.71073","MoKα","","0.118","0.0724","","","0.227","0.2769","","","","","","0.922","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336608","11.3786","0.0014","12.0645","0.0015","14.6022","0.0018","70.678","0.002","78.414","0.002","89.274","0.002","1850","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H108 Mg4 N12 O2 Si4 -","- C56 H108 Mg4 N12 O2 Si4 -","- C56 H108 Mg4 N12 O2 Si4 -","1","0.5","","Andrés Garcés; Luis F. Sánchez-Barba; Juan Fernández-Baeza; Antonio Otero; Manuel Honrado; Agustín Lara-Sánchez; Ana M. Rodríguez","Heteroscorpionate Magnesium Alkyls Bearing Unprecedented Apical σ-C(sp3)-Mg Bonds: Heteroselective Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2013","52","","12691","12701","10.1021/ic401915b","","","0.71073","MoKα","","0.0832","0.0524","","","0.1233","0.1431","","","","","","1.04","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336609","12.307","0.006","16.988","0.011","20.041","0.014","108.39","0.02","105.261","0.019","98.616","0.016","3710","4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H108 Mg4 N12 O2 Si4 -","- C56 H108 Mg4 N12 O2 Si4 -","- C112 H216 Mg8 N24 O4 Si8 -","2","1","","Andrés Garcés; Luis F. Sánchez-Barba; Juan Fernández-Baeza; Antonio Otero; Manuel Honrado; Agustín Lara-Sánchez; Ana M. Rodríguez","Heteroscorpionate Magnesium Alkyls Bearing Unprecedented Apical σ-C(sp3)-Mg Bonds: Heteroselective Ring-Opening Polymerization of rac-Lactide","Inorganic Chemistry","2013","52","","12691","12701","10.1021/ic401915b","","","0.71073","MoKα","","0.1595","0.0624","","","0.1068","0.1403","","","","","","0.929","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336610","31.569","0.002","15.806","0.009","35.945","0.003","90","","105.781","0.007","90","","17260","10","150","0.2","150","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis(N-hexylaminocarbonylmethoxy) calix[4]arene-sodium perchlorate-benzonitrile","","- C83 H121 Cl Li N5 O12 -","- C83 H121 Cl Li N5 O12 -","- C664 H968 Cl8 Li8 N40 O96 -","8","1","","Gordan Horvat; Vladimir Stilinović; Branko Kaitner; Leo Frkanec; Vladislav Tomišić","The Effect of Specific Solvent-Solute Interactions on Complexation of Alkali-Metal Cations by a Lower-Rim Calix[4]arene Amide Derivative","Inorganic Chemistry","2013","52","","12702","12712","10.1021/ic4019184","","","0.71073","MoKα","","0.221","0.1419","","","0.3791","0.4099","","","","","","1.169","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336611","10.474","0.002","14.057","0.003","16.738","0.003","90","","97.82","0.02","90","","2441.5","0.8","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 Au F2 N O -","- C32 H20 Au F2 N O -","- C128 H80 Au4 F8 N4 O4 -","4","1","","Vonika Ka-Man Au; Daniel Ping-Kuen Tsang; Keith Man-Chung Wong; Mei-Yee Chan; Nianyong Zhu; Vivian Wing-Wah Yam","Functionalized Bis-Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, Electrochemistry, Photophysics, Photochemistry, and Electroluminescence Studies","Inorganic Chemistry","2013","52","","12713","12725","10.1021/ic4019212","","","0.71073","MoKα","","0.0218","0.0179","","","0.0463","0.0484","","","","","","1.032","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336612","7.5267","0.0002","14.4607","0.0004","22.1759","0.0006","92.502","0.002","92.804","0.002","100.828","0.001","2364.4","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H21 Au F N O -","- C32 H21 Au F N O -","- C128 H84 Au4 F4 N4 O4 -","4","2","","Vonika Ka-Man Au; Daniel Ping-Kuen Tsang; Keith Man-Chung Wong; Mei-Yee Chan; Nianyong Zhu; Vivian Wing-Wah Yam","Functionalized Bis-Cyclometalated Alkynylgold(III) Complexes: Synthesis, Characterization, Electrochemistry, Photophysics, Photochemistry, and Electroluminescence Studies","Inorganic Chemistry","2013","52","","12713","12725","10.1021/ic4019212","","","0.71073","MoKα","","0.0432","0.0283","","","0.0561","0.0606","","","","","","1.002","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336613","15.4457","0.0015","17.0904","0.0016","4.4723","0.0004","90","","90","","90","","1180.57","0.19","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Ce7 Ge1.7 Zn21.3 -","- Ce7 Ge1.7 Zn21.3 -","- Ce14 Ge3.4 Zn42.6 -","2","0.25","","Nian-Tzu Suen; Svilen Bobev","Synthesis and Structural Characterization of RE7Zn21Tt2 (RE = La-Nd; Tt = Ge, Sn, and Pb): New Structure Type Among the Polar Intermetallic Phases","Inorganic Chemistry","2013","52","","12731","12740","10.1021/ic4019844","","","0.71073","MoKα","","0.0187","0.017","","","0.0368","0.0373","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336614","15.437","0.002","17.075","0.003","4.4537","0.0007","90","","90","","90","","1173.9","0.3","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Ge1.7 Pr7 Zn21.3 -","- Ge1.7 Pr7 Zn21.3 -","- Ge3.4 Pr14 Zn42.6 -","2","0.25","","Nian-Tzu Suen; Svilen Bobev","Synthesis and Structural Characterization of RE7Zn21Tt2 (RE = La-Nd; Tt = Ge, Sn, and Pb): New Structure Type Among the Polar Intermetallic Phases","Inorganic Chemistry","2013","52","","12731","12740","10.1021/ic4019844","","","0.71073","MoKα","","0.0363","0.0236","","","0.037","0.041","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336615","15.362","0.0009","17.0273","0.001","4.4367","0.0003","90","","90","","90","","1160.52","0.12","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Ge1.7 Nd7 Zn21.3 -","- Ge1.7 Nd7 Zn21.3 -","- Ge3.4 Nd14 Zn42.6 -","2","0.25","","Nian-Tzu Suen; Svilen Bobev","Synthesis and Structural Characterization of RE7Zn21Tt2 (RE = La-Nd; Tt = Ge, Sn, and Pb): New Structure Type Among the Polar Intermetallic Phases","Inorganic Chemistry","2013","52","","12731","12740","10.1021/ic4019844","","","0.71073","MoKα","","0.0127","0.012","","","0.0239","0.0241","","","","","","1.175","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336616","15.7688","0.0006","17.375","0.002","4.525","0.002","90","","90","","90","","1239.8","0.6","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- La7 Sn1.2 Zn21.8 -","- La7 Sn1.192 Zn21.808 -","- La14 Sn2.384 Zn43.616 -","2","0.25","","Nian-Tzu Suen; Svilen Bobev","Synthesis and Structural Characterization of RE7Zn21Tt2 (RE = La-Nd; Tt = Ge, Sn, and Pb): New Structure Type Among the Polar Intermetallic Phases","Inorganic Chemistry","2013","52","","12731","12740","10.1021/ic4019844","","","0.71073","MoKα","","0.0387","0.0312","","","0.0545","0.0569","","","","","","1.089","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336617","15.6455","0.0004","17.2713","0.0013","4.4982","0.0014","90","","90","","90","","1215.5","0.4","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Ce7 Sn1.72 Zn21.28 -","- Ce7 Sn1.716 Zn21.284 -","- Ce14 Sn3.432 Zn42.568 -","2","0.25","","Nian-Tzu Suen; Svilen Bobev","Synthesis and Structural Characterization of RE7Zn21Tt2 (RE = La-Nd; Tt = Ge, Sn, and Pb): New Structure Type Among the Polar Intermetallic Phases","Inorganic Chemistry","2013","52","","12731","12740","10.1021/ic4019844","","","0.71073","MoKα","","0.0224","0.0204","","","0.038","0.0388","","","","","","1.158","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336618","15.5913","0.0008","17.266","0.003","4.481","0.003","90","","90","","90","","1206.3","0.8","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Pr7 Sn1.95 Zn21.05 -","- Pr7 Sn1.952 Zn21.048 -","- Pr14 Sn3.904 Zn42.096 -","2","0.25","","Nian-Tzu Suen; Svilen Bobev","Synthesis and Structural Characterization of RE7Zn21Tt2 (RE = La-Nd; Tt = Ge, Sn, and Pb): New Structure Type Among the Polar Intermetallic Phases","Inorganic Chemistry","2013","52","","12731","12740","10.1021/ic4019844","","","0.71073","MoKα","","0.0606","0.0374","","","0.0592","0.0663","","","","","","1.062","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336619","15.5177","0.0004","17.1961","0.0013","4.4503","0.0014","90","","90","","90","","1187.5","0.4","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Nd7 Sn1.46 Zn21.54 -","- Nd7 Sn1.464 Zn21.536 -","- Nd14 Sn2.928 Zn43.072 -","2","0.25","","Nian-Tzu Suen; Svilen Bobev","Synthesis and Structural Characterization of RE7Zn21Tt2 (RE = La-Nd; Tt = Ge, Sn, and Pb): New Structure Type Among the Polar Intermetallic Phases","Inorganic Chemistry","2013","52","","12731","12740","10.1021/ic4019844","","","0.71073","MoKα","","0.0175","0.0154","","","0.031","0.0317","","","","","","1.101","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336620","15.82","0.004","17.455","0.004","4.5333","0.0011","90","","90","","90","","1251.8","0.5","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- La7 Pb1.77 Zn21.23 -","- La7 Pb1.766 Zn21.234 -","- La14 Pb3.532 Zn42.468 -","2","0.25","","Nian-Tzu Suen; Svilen Bobev","Synthesis and Structural Characterization of RE7Zn21Tt2 (RE = La-Nd; Tt = Ge, Sn, and Pb): New Structure Type Among the Polar Intermetallic Phases","Inorganic Chemistry","2013","52","","12731","12740","10.1021/ic4019844","","","0.71073","MoKα","","0.0391","0.0268","","","0.0425","0.0458","","","","","","1.031","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336621","15.6927","0.0019","17.342","0.002","4.4985","0.0005","90","","90","","90","","1224.2","0.2","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Ce7 Pb1.66 Zn21.34 -","- Ce7 Pb1.664 Zn21.336 -","- Ce14 Pb3.328 Zn42.672 -","2","0.25","","Nian-Tzu Suen; Svilen Bobev","Synthesis and Structural Characterization of RE7Zn21Tt2 (RE = La-Nd; Tt = Ge, Sn, and Pb): New Structure Type Among the Polar Intermetallic Phases","Inorganic Chemistry","2013","52","","12731","12740","10.1021/ic4019844","","","0.71073","MoKα","","0.0199","0.0174","","","0.0293","0.0299","","","","","","1.139","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336622","15.623","0.0014","17.3005","0.0015","4.4741","0.0004","90","","90","","90","","1209.29","0.19","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Pb1.74 Pr7 Zn21.26 -","- Pb1.742 Pr7 Zn21.258 -","- Pb3.484 Pr14 Zn42.516 -","2","0.25","","Nian-Tzu Suen; Svilen Bobev","Synthesis and Structural Characterization of RE7Zn21Tt2 (RE = La-Nd; Tt = Ge, Sn, and Pb): New Structure Type Among the Polar Intermetallic Phases","Inorganic Chemistry","2013","52","","12731","12740","10.1021/ic4019844","","","0.71073","MoKα","","0.0276","0.0231","","","0.0433","0.0446","","","","","","1.065","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336623","15.576","0.002","17.281","0.002","4.4564","0.0006","90","","90","","90","","1199.5","0.3","200","2","200","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Nd7 Pb1.92 Zn21.08 -","- Nd7 Pb1.926 Zn21.074 -","- Nd14 Pb3.852 Zn42.148 -","2","0.25","","Nian-Tzu Suen; Svilen Bobev","Synthesis and Structural Characterization of RE7Zn21Tt2 (RE = La-Nd; Tt = Ge, Sn, and Pb): New Structure Type Among the Polar Intermetallic Phases","Inorganic Chemistry","2013","52","","12731","12740","10.1021/ic4019844","","","0.71073","MoKα","","0.0335","0.0246","","","0.0472","0.0506","","","","","","1.059","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336624","22.1408","0.0006","24.5577","0.0008","7.3445","0.0002","90","","90","","90","","3993.4","0.2","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C39 H21 Ce N O8 -","- C39 H21 Ce N O8 -","- C156 H84 Ce4 N4 O32 -","4","1","","Yan-Ping He; Yan-Xi Tan; Jian Zhang","Gas Sorption, Second-Order Nonlinear Optics, and Luminescence Properties of a Series of Lanthanide-Organic Frameworks Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand","Inorganic Chemistry","2013","52","","12758","12762","10.1021/ic4020256","","","0.71073","MoKα","","0.0722","0.0663","","","0.1748","0.1793","","","","","","1.108","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336625","35.7507","0.0007","16.3257","0.0003","13.1559","0.0003","90","","90","","90","","7678.5","0.3","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C78 H50 Ce N2 O18 -","- C78 H50 Ce N2 O18 -","- C312 H200 Ce4 N8 O72 -","4","","","Yan-Ping He; Yan-Xi Tan; Jian Zhang","Gas Sorption, Second-Order Nonlinear Optics, and Luminescence Properties of a Series of Lanthanide-Organic Frameworks Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand","Inorganic Chemistry","2013","52","","12758","12762","10.1021/ic4020256","","","1.54178","CuKα","","0.0597","0.0577","","","0.1555","0.1579","","","","","","1.044","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336626","11.763","0.002","18.532","0.004","14.613","0.003","90","","109.727","0.003","90","","2998.6","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N6 Ti -","- C36 H36 N6 Ti -","- C144 H144 N24 Ti4 -","4","1","","Mei Wang; Thomas Weyhermüller; Jason England; Karl Wieghardt","Molecular and Electronic Structures of Six-Coordinate ""Low-Valent"" [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F)","Inorganic Chemistry","2013","52","","12763","12776","10.1021/ic402037e","","","0.71073","MoKα","","0.0958","0.0857","","","0.2419","0.2507","","","","","","1.124","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336627","11.7239","0.0013","18.465","0.002","14.622","0.002","90","","109.729","0.002","90","","2979.6","0.6","100","2","100","2","","","","","","","tetrahydrofuran, pentane","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N6 V -","- C36 H36 N6 V -","- C144 H144 N24 V4 -","4","1","","Mei Wang; Thomas Weyhermüller; Jason England; Karl Wieghardt","Molecular and Electronic Structures of Six-Coordinate ""Low-Valent"" [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F)","Inorganic Chemistry","2013","52","","12763","12776","10.1021/ic402037e","","","0.71073","MoKα","","0.0807","0.0661","","","0.1792","0.1908","","","","","","1.149","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336628","8.1571","0.0015","20.239","0.004","18.567","0.004","90","","97.038","0.003","90","","3042.2","1.1","100","2","100","2","","","","","","","tetrahydofuran, diethylether","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Mo N6 -","- C36 H36 Mo N6 -","- C144 H144 Mo4 N24 -","4","1","","Mei Wang; Thomas Weyhermüller; Jason England; Karl Wieghardt","Molecular and Electronic Structures of Six-Coordinate ""Low-Valent"" [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F)","Inorganic Chemistry","2013","52","","12763","12776","10.1021/ic402037e","","","0.71073","MoKα","","0.0635","0.0397","","","0.0787","0.0874","","","","","","1.046","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336629","29.229","0.009","11.794","0.004","13.227","0.004","90","","90","","90","","4560","3","100","2","100","2","","","","","","","tetrahydrofuran, pentane","6","P n m a","-P 2ac 2n","62","","","","- C36 H36 F7 Mo N6 P -","- C36 H36 F7 Mo N6 P -","- C144 H144 F28 Mo4 N24 P4 -","4","0.5","","Mei Wang; Thomas Weyhermüller; Jason England; Karl Wieghardt","Molecular and Electronic Structures of Six-Coordinate ""Low-Valent"" [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F)","Inorganic Chemistry","2013","52","","12763","12776","10.1021/ic402037e","","","0.71073","MoKα","","0.1114","0.1017","","","0.2363","0.2419","","","","","","1.166","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336630","39.123","0.005","56.678","0.007","8.4989","0.0011","90","","90","","90","","18846","4","100","2","100","2","","","","","","","toluene, pentane","4","F d d 2","F 2 -2d","43","","","","- C30 H22 N6 Ti -","- C30 H22 N6 Ti -","- C960 H704 N192 Ti32 -","32","2","","Mei Wang; Thomas Weyhermüller; Jason England; Karl Wieghardt","Molecular and Electronic Structures of Six-Coordinate ""Low-Valent"" [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F)","Inorganic Chemistry","2013","52","","12763","12776","10.1021/ic402037e","","","0.71073","MoKα","","0.0873","0.0479","","","0.0905","0.1047","","","","","","1.05","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336631","39.071","0.009","56.447","0.013","8.39","0.002","90","","90","","90","","18504","7","100","2","100","2","","","","","","","toluene, pentane","4","F d d 2","F 2 -2d","43","","","","- C30 H22 N6 V -","- C30 H22 N6 V -","- C960 H704 N192 V32 -","32","2","","Mei Wang; Thomas Weyhermüller; Jason England; Karl Wieghardt","Molecular and Electronic Structures of Six-Coordinate ""Low-Valent"" [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F)","Inorganic Chemistry","2013","52","","12763","12776","10.1021/ic402037e","","","0.71073","MoKα","","0.0901","0.0466","","","0.076","0.0902","","","","","","1.015","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336632","9.548","0.002","19.208","0.003","17.058","0.003","90","","92.29","0.02","90","","3125.9","1","100","2","100","2","","","","","","","dichloromethane","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Cl3 F6 Mo N6 P -","- C31 H24 Cl3 F6 Mo N6 P -","- C124 H96 Cl12 F24 Mo4 N24 P4 -","4","1","","Mei Wang; Thomas Weyhermüller; Jason England; Karl Wieghardt","Molecular and Electronic Structures of Six-Coordinate ""Low-Valent"" [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F)","Inorganic Chemistry","2013","52","","12763","12776","10.1021/ic402037e","","","0.71073","MoKα","","0.0389","0.0307","","","0.0748","0.0799","","","","","","1.057","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336633","15.3478","0.0013","18.0554","0.0009","11.7524","0.001","90","","109.264","0.007","90","","3074.4","0.4","100","2","100","2","","","","","","","dichloromethane","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Cl2 F7 N6 P W -","- C31 H24 Cl2 F7 N6 P W -","- C124 H96 Cl8 F28 N24 P4 W4 -","4","1","","Mei Wang; Thomas Weyhermüller; Jason England; Karl Wieghardt","Molecular and Electronic Structures of Six-Coordinate ""Low-Valent"" [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F)","Inorganic Chemistry","2013","52","","12763","12776","10.1021/ic402037e","","","0.71073","MoKα","","0.0622","0.0391","","","0.0626","0.069","","","","","","1.099","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336634","8.5901","0.0009","11.6333","0.0013","14.163","0.002","109.056","0.003","94.347","0.003","109.704","0.002","1231.7","0.3","100","2","100","2","","","","","","","methanol, diethylether","6","P -1","-P 1","2","","","","- C22.5 H26 Cl3 Mo N4 O2.5 -","- C22.5 H26 Cl3 Mo N4 O2.5 -","- C45 H52 Cl6 Mo2 N8 O5 -","2","1","","Mei Wang; Thomas Weyhermüller; Jason England; Karl Wieghardt","Molecular and Electronic Structures of Six-Coordinate ""Low-Valent"" [M(Mebpy)3]0 (M = Ti, V, Cr, Mo) and [M(tpy)2]0 (M = Ti, V, Cr), and Seven-Coordinate [MoF(Mebpy)3](PF6) and [MX(tpy)2](PF6) (M = Mo, X = Cl and M = W, X = F)","Inorganic Chemistry","2013","52","","12763","12776","10.1021/ic402037e","","","0.71073","MoKα","","0.0495","0.0348","","","0.0816","0.0888","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336635","5.738","0.005","8.492","0.008","6.582","0.006","90","","90","","90","","320.7","0.5","300","","300","","","","","","","","HP-DAC","3","C m c m","-C 2c 2","63","Indium Vanadate-III","InVO4-III","","- In O4 V -","- In O4 V -","- In4 O16 V4 -","4","0.25","","Daniel Errandonea; Oscar Gomis; Braulio García-Domene; Julio Pellicer-Porres; Vasundhara Katari; S. Nagabhusan Achary; Avesh K. Tyagi; Catalin Popescu","New Polymorph of InVO4: A High-Pressure Structure with Six-Coordinated Vanadium","Inorganic Chemistry","2013","52","","12790","12798","10.1021/ic402043x","powder diffraction","x-ray","0.4246","monochromatic-beam","","","","","","","","","","0.85","","","","","","","has coordinates,has Fobs","179469","2020-10-21","18:00:00",""
"4336636","4.714","0.005","5.459","0.006","4.903","0.005","90","","93.8","0.3","90","","125.9","0.2","300","","300","","","","","","","","HP-DAC","3","P 1 2/c 1","-P 2yc","13","Indium Vanadate","InVO4-V","","- In O4 V -","- In O4 V -","- In2 O8 V2 -","2","0.5","","Daniel Errandonea; Oscar Gomis; Braulio García-Domene; Julio Pellicer-Porres; Vasundhara Katari; S. Nagabhusan Achary; Avesh K. Tyagi; Catalin Popescu","New Polymorph of InVO4: A High-Pressure Structure with Six-Coordinated Vanadium","Inorganic Chemistry","2013","52","","12790","12798","10.1021/ic402043x","powder diffraction","x-ray","0.4246","monochromatic-beam","","","","","","","","","","0.59","","","","","","","has coordinates,has Fobs","179469","2020-10-21","18:00:00",""
"4336637","7.162","0.0002","7.162","0.0002","6.749","0.0004","90","","90","","90","","346.18","0.02","120","1","120","1","","","","","","","","7","P 4/m m m","-P 4 2","123","","","","- C8 H8 Fe N6 O0.5 Pt S0.25 -","- C8 Fe N6 O0.52 Pt S0.26 -","- C8 Fe N6 O0.52 Pt S0.26 -","1","0.0625","","Zulema Arcís-Castillo; Francisco J. Muñoz-Lara; M. Carmen Muñoz; Daniel Aravena; Ana B. Gaspar; Juan F. Sánchez-Royo; Eliseo Ruiz; Masaaki Ohba; Ryotaro Matsuda; Susumu Kitagawa; José A. Real","Reversible Chemisorption of Sulfur Dioxide in a Spin Crossover Porous Coordination Polymer","Inorganic Chemistry","2013","52","","12777","12783","10.1021/ic4020477","","","0.71073","MoKα","","0.0288","0.0287","","","0.0618","0.0619","","","","","","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336638","15.777","0.002","10.6187","0.0015","18.958","0.003","90","","97.359","0.002","90","","3149.9","0.8","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C54 H38 Cd3 O20 -","- C54 H30 Cd3 O20 -","- C108 H60 Cd6 O40 -","2","0.5","","Abhijeet K. Chaudhari; Sanjog S. Nagarkar; Biplab Joarder; Soumya Mukherjee; Sujit K. Ghosh","Structural Dynamism and Controlled Chemical Blocking/Unblocking of Active Coordination Space of a Soft Porous Crystal","Inorganic Chemistry","2013","52","","12784","12789","10.1021/ic402058f","","","0.71073","MoKα","","0.1072","0.0565","","","0.1532","0.1803","","","","","","0.694","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336639","15.438","0.005","11.075","0.003","19.18","0.005","90","","95.796","0.008","90","","3262.6","1.6","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C70 H64 Cd3 O20 -","- C70 H64 Cd3 O22 -","- C140 H128 Cd6 O44 -","2","0.5","","Abhijeet K. Chaudhari; Sanjog S. Nagarkar; Biplab Joarder; Soumya Mukherjee; Sujit K. Ghosh","Structural Dynamism and Controlled Chemical Blocking/Unblocking of Active Coordination Space of a Soft Porous Crystal","Inorganic Chemistry","2013","52","","12784","12789","10.1021/ic402058f","","","0.71073","MoKα","","0.1224","0.0897","","","0.1874","0.1993","","","","","","1.201","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336640","15.4481","0.001","11.4391","0.0007","19.1156","0.0013","90","","94.625","0.001","90","","3367","0.4","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C70 H70 Cd3 O24 -","- C70 H62 Cd3 O24 -","- C140 H124 Cd6 O48 -","2","0.5","","Abhijeet K. Chaudhari; Sanjog S. Nagarkar; Biplab Joarder; Soumya Mukherjee; Sujit K. Ghosh","Structural Dynamism and Controlled Chemical Blocking/Unblocking of Active Coordination Space of a Soft Porous Crystal","Inorganic Chemistry","2013","52","","12784","12789","10.1021/ic402058f","","","0.71073","MoKα","","0.0386","0.0342","","","0.094","0.0985","","","","","","0.993","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336641","15.87","0.003","20.433","0.004","19.22","0.003","90","","98.409","0.003","90","","6165.5","1.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H56 Cd3 O22 -","- C66 H54 Cd3 O22 -","- C264 H216 Cd12 O88 -","4","1","","Abhijeet K. Chaudhari; Sanjog S. Nagarkar; Biplab Joarder; Soumya Mukherjee; Sujit K. Ghosh","Structural Dynamism and Controlled Chemical Blocking/Unblocking of Active Coordination Space of a Soft Porous Crystal","Inorganic Chemistry","2013","52","","12784","12789","10.1021/ic402058f","","","0.71073","MoKα","","0.1261","0.1049","","","0.2528","0.2675","","","","","","1.152","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336642","16.394","0.005","8.887","0.003","19.103","0.006","90","","98.259","0.007","90","","2754.3","1.5","200","2","200","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C62 H36 Cd3 O20 -","- C62 H30 Cd3 O20 -","- C124 H60 Cd6 O40 -","2","0.5","","Abhijeet K. Chaudhari; Sanjog S. Nagarkar; Biplab Joarder; Soumya Mukherjee; Sujit K. Ghosh","Structural Dynamism and Controlled Chemical Blocking/Unblocking of Active Coordination Space of a Soft Porous Crystal","Inorganic Chemistry","2013","52","","12784","12789","10.1021/ic402058f","","","0.71073","MoKα","","0.1235","0.0855","","","0.2576","0.3059","","","","","","1.164","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336643","28.352","0.019","11.116","0.007","16.513","0.011","90","","90","","90","","5204","6","296","2","296","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- Cl1.25 Ge0.5 O3.25 Pb2.88 -","- Cl1.25 Ge0.5 O3.25 Pb2.875 -","- Cl40 Ge16 O104 Pb92 -","32","","","Oleg I. Siidra; Diana O. Zinyakhina; Anastasiya I. Zadoya; Sergey V. Krivovichev; Rick W. Turner","Synthesis and Modular Structural Architectures of Mineralogically Inspired Novel Complex Pb Oxyhalides","Inorganic Chemistry","2013","52","","12799","12805","10.1021/ic402066h","","","0.71073","MoKα","","0.096","0.0504","","","0.1122","0.1338","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336644","11.0697","0.0011","15.5603","0.0014","16.1335","0.0016","90","","90","","90","","2779","0.5","296","2","296","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Br0.17 I1.67 O3.17 Pb3.83 -","- Br0.166667 I1.66667 O3.16667 Pb3.83333 -","- Br2 I20 O38 Pb46 -","12","3","","Oleg I. Siidra; Diana O. Zinyakhina; Anastasiya I. Zadoya; Sergey V. Krivovichev; Rick W. Turner","Synthesis and Modular Structural Architectures of Mineralogically Inspired Novel Complex Pb Oxyhalides","Inorganic Chemistry","2013","52","","12799","12805","10.1021/ic402066h","","","0.71073","MoKα","","0.0455","0.0386","","","0.0871","0.0915","","","","","","1.039","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336645","3.889","0.0007","3.889","0.0007","32.56","0.006","90","","90","","90","","492.45","0.15","296","2","296","2","","","","","","","","4","I 4/m","-I 4","87","","","","- Cl0.5 O3 Pb2.75 Si0.25 -","- Cl0.5 O3 Pb2.75 Si0.25 -","- Cl2 O12 Pb11 Si -","4","0.25","","Oleg I. Siidra; Diana O. Zinyakhina; Anastasiya I. Zadoya; Sergey V. Krivovichev; Rick W. Turner","Synthesis and Modular Structural Architectures of Mineralogically Inspired Novel Complex Pb Oxyhalides","Inorganic Chemistry","2013","52","","12799","12805","10.1021/ic402066h","","","0.71073","MoKα","","0.0541","0.0518","","","0.1391","0.1418","","","","","","1.177","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336646","13.2208","0.0012","13.2208","0.0012","7.9479","0.0014","90","","90","","120","","1203.1","0.3","296","","296","","","","","","","","","3","P -6 2 c","P -6c -2c","190","Compound-1","","","- Ag5 K S3 -","- Ag5 K S3 -","- Ag30 K6 S18 -","6","0.5","","Chi Zhang; Kai-Ni Wang; Min Ji; Yong-Lin An","Mild Solvothermal Syntheses of Thioargentates A-Ag-S (A = K, Rb, Cs) and A-Ag-Ge-S (A = Na, Rb): Crucial Role of Excess Sulfur","Inorganic Chemistry","2013","52","","12367","12371","10.1021/ic402092r","","","0.71073","MoKα","","0.0344","0.0336","","","0.0789","0.0797","","","","","","1.333","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336647","13.296","0.009","13.296","0.009","8.006","0.011","90","","90","","120","","1226","2","296","","296","","","","","","","","","3","P -6 2 c","P -6c -2c","190","Compound-2","","","- Ag5 Rb S3 -","- Ag5 Rb S3 -","- Ag30 Rb6 S18 -","6","0.5","","Chi Zhang; Kai-Ni Wang; Min Ji; Yong-Lin An","Mild Solvothermal Syntheses of Thioargentates A-Ag-S (A = K, Rb, Cs) and A-Ag-Ge-S (A = Na, Rb): Crucial Role of Excess Sulfur","Inorganic Chemistry","2013","52","","12367","12371","10.1021/ic402092r","","","0.71073","MoKα","","0.0431","0.0339","","","0.0935","0.1113","","","","","","1.062","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336648","11.1002","0.0013","11.1002","0.0013","8.531","0.002","90","","90","","90","","1051.1","0.3","296","","296","","","","","","","","","3","P 4/n :2","-P 4a","85","Compound-3","","","- Ag7 Cs S4 -","- Ag7 Cs S4 -","- Ag28 Cs4 S16 -","4","0.5","","Chi Zhang; Kai-Ni Wang; Min Ji; Yong-Lin An","Mild Solvothermal Syntheses of Thioargentates A-Ag-S (A = K, Rb, Cs) and A-Ag-Ge-S (A = Na, Rb): Crucial Role of Excess Sulfur","Inorganic Chemistry","2013","52","","12367","12371","10.1021/ic402092r","","","0.71073","MoKα","","0.0343","0.0308","","","0.0685","0.0696","","","","","","1.075","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336649","9.1456","0.0018","10.2611","0.0019","14.863","0.003","90","","104.315","0.002","90","","1351.5","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound-4","","","- Ag Ge2 Na5 S7 -","- Ag Ge2 Na5 S7 -","- Ag4 Ge8 Na20 S28 -","4","0.5","","Chi Zhang; Kai-Ni Wang; Min Ji; Yong-Lin An","Mild Solvothermal Syntheses of Thioargentates A-Ag-S (A = K, Rb, Cs) and A-Ag-Ge-S (A = Na, Rb): Crucial Role of Excess Sulfur","Inorganic Chemistry","2013","52","","12367","12371","10.1021/ic402092r","","","0.71073","MoKα","","0.029","0.027","","","0.0751","0.0767","","","","","","1.136","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336650","7.4774","0.0003","22.112","0.0007","6.2963","0.0002","90","","115.664","0.002","90","","938.33","0.06","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Compound-5","","","- Ag2 Ge Rb2 S4 -","- Ag2 Ge Rb2 S4 -","- Ag8 Ge4 Rb8 S16 -","4","0.5","","Chi Zhang; Kai-Ni Wang; Min Ji; Yong-Lin An","Mild Solvothermal Syntheses of Thioargentates A-Ag-S (A = K, Rb, Cs) and A-Ag-Ge-S (A = Na, Rb): Crucial Role of Excess Sulfur","Inorganic Chemistry","2013","52","","12367","12371","10.1021/ic402092r","","","0.71073","MoKα","","0.039","0.0375","","","0.1063","0.1077","","","","","","0.887","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336651","10.9879","0.0004","10.9879","0.0004","14.3934","0.0006","90","","90","","120","","1504.95","0.1","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","Sodium neptunium(IV) neptunyl(V) hydroxide chrolide hydrate","","","- Cl9 H16.2 Na0.8 Np7 O21 -","- Cl9 Na0.75 Np7 O21 -","- Cl18 Na1.5 Np14 O42 -","2","0.166667","","Geng Bang Jin","Mixed-Valent Neptunium(IV/V) Compound with Cation-Cation-Bound Six-Membered Neptunyl Rings","Inorganic Chemistry","2013","52","","12317","12319","10.1021/ic4021492","","","0.71073","MoKα","","0.0471","0.0443","","","0.1404","0.1421","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336652","21.254","0.0003","29.8262","0.0004","18.3767","0.0002","90","","90","","90","","11649.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C200 H199 Cl4 Mn12 N24 O56 -","- C108 H96 Mn12 N24 O40 -","- C216 H192 Mn24 N48 O80 -","2","0.5","","Andrew M. Mowson; Tu N. Nguyen; Khalil A. Abboud; George Christou","Dimeric and Tetrameric Supramolecular Aggregates of Single-Molecule Magnets via Carboxylate Substitution","Inorganic Chemistry","2013","52","","12320","12322","10.1021/ic402155h","","","1.54178","CuKα","","0.0507","0.0428","","","0.1271","0.1325","","","","","","0.939","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336653","13.5272","0.0005","15.9384","0.0005","17.8515","0.0006","76.015","0.001","80.849","0.001","80.895","0.001","3658.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C154 H170 Mn6 N20 O32 -","- C114 H98 Mn6 N12 O24 -","- C114 H98 Mn6 N12 O24 -","1","0.5","","Andrew M. Mowson; Tu N. Nguyen; Khalil A. Abboud; George Christou","Dimeric and Tetrameric Supramolecular Aggregates of Single-Molecule Magnets via Carboxylate Substitution","Inorganic Chemistry","2013","52","","12320","12322","10.1021/ic402155h","","","1.54178","CuKα","","0.0381","0.0337","","","0.0934","0.0955","","","","","","1.084","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336654","17.196","0.003","12.963","0.002","32.342","0.006","90","","90","","90","","7209","2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C308 H300 Ir8 N44 O64 Zn4 -","- C308 H300 Ir8 N44 O64 Zn4 -","- C308 H300 Ir8 N44 O64 Zn4 -","1","0.25","","Lina Li; Shuquan Zhang; Liangjin Xu; Liang Han; Zhong-Ning Chen; Junhua Luo","An Intensely Luminescent Metal-Organic Framework Based on a Highly Light-Harvesting Dyclo-Metalated Iridium(III) Unit Showing Effective Detection of Explosives","Inorganic Chemistry","2013","52","","12323","12325","10.1021/ic402158n","","","0.71073","MoKα","","0.0412","0.0369","","","0.1014","0.1199","","","","","","1.068","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336655","6.1453","0.0005","17.465","0.0009","4.5525","0.0005","90","","115.763","0.005","90","","440.04","0.07","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C10 H2 Co2 O8 -","- C10 H2 Co2 O8 -","- C20 H4 Co4 O16 -","2","0.25","","Oscar Fabelo; Laura Cañadillas-Delgado; Jorge Pasán; Pau Díaz-Gallifa; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve; Inés Puente Orench; Javier Campo; Juan Rodríguez-Carvajal","Neutron Diffraction Studies of the Molecular Compound [Co2(bta)]n (H4bta =1,2,4,5-Benzenetetracarboxylic Acid): In the Quest of Canted Ferromagnetism","Inorganic Chemistry","2013","52","","12818","12827","10.1021/ic402186p","","x-ray","0.71073","Mokα","","0.039","0.0338","","","0.0869","0.0909","","","","","","1.173","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336656","10.3666","0.0004","13.736","0.0005","18.9393","0.0008","83.75","0.0012","80.93","0.0014","83.777","0.0012","2635.86","0.18","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H57 Dy2 N6 O22.5 Zn2 -","- C46 H43 Dy2 N6 O22.5 Zn2 -","- C92 H86 Dy4 N12 O45 Zn4 -","2","1","","Kiyomi Ehama; Yusuke Ohmichi; Soichiro Sakamoto; Takeshi Fujinami; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Masanobu Tsuchimoto; Nazzareno Re","Synthesis, Structure, Luminescent, and Magnetic Properties of Carbonato-Bridged ZnII2LnIII2 Complexes [(μ4-CO3)2{ZnIILnLnIII(NO3)}2] (LnIII= GdIII, TbIII, DyIII; L1=N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato, L2=N,N'-Bis(3-ethoxy-2-oxybenzylidene)-1,3-propanediaminato)","Inorganic Chemistry","2013","52","","12828","12841","10.1021/ic4022273","","","0.71075","MoKα","","","0.0494","","","","0.1066","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336657","11.6854","0.0003","10.4936","0.0004","20.9998","0.0005","90","","90.112","0.0007","90","","2575.03","0.13","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Gd N3 O11 Zn -","- C23 H26 Gd N3 O11 Zn -","- C92 H104 Gd4 N12 O44 Zn4 -","4","1","","Kiyomi Ehama; Yusuke Ohmichi; Soichiro Sakamoto; Takeshi Fujinami; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Masanobu Tsuchimoto; Nazzareno Re","Synthesis, Structure, Luminescent, and Magnetic Properties of Carbonato-Bridged ZnII2LnIII2 Complexes [(μ4-CO3)2{ZnIILnLnIII(NO3)}2] (LnIII= GdIII, TbIII, DyIII; L1=N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato, L2=N,N'-Bis(3-ethoxy-2-oxybenzylidene)-1,3-propanediaminato)","Inorganic Chemistry","2013","52","","12828","12841","10.1021/ic4022273","","","0.71075","MoKα","","","0.0401","","","","0.1155","","","","","","1.005","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336658","11.6741","0.001","10.5066","0.0008","20.9761","0.0015","90","","90.25","0.003","90","","2572.8","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N3 O11 Tb Zn -","- C23 H26 N3 O11 Tb Zn -","- C92 H104 N12 O44 Tb4 Zn4 -","4","1","","Kiyomi Ehama; Yusuke Ohmichi; Soichiro Sakamoto; Takeshi Fujinami; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Masanobu Tsuchimoto; Nazzareno Re","Synthesis, Structure, Luminescent, and Magnetic Properties of Carbonato-Bridged ZnII2LnIII2 Complexes [(μ4-CO3)2{ZnIILnLnIII(NO3)}2] (LnIII= GdIII, TbIII, DyIII; L1=N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato, L2=N,N'-Bis(3-ethoxy-2-oxybenzylidene)-1,3-propanediaminato)","Inorganic Chemistry","2013","52","","12828","12841","10.1021/ic4022273","","","0.71075","MoKα","","","0.0545","","","","0.1461","","","","","","1.006","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336659","11.6705","0.0004","10.4618","0.0005","20.9683","0.0006","90","","90.0319","0.001","90","","2560.11","0.17","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Dy N3 O11 Zn -","- C23 H26 Dy N3 O11 Zn -","- C92 H104 Dy4 N12 O44 Zn4 -","4","1","","Kiyomi Ehama; Yusuke Ohmichi; Soichiro Sakamoto; Takeshi Fujinami; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Masanobu Tsuchimoto; Nazzareno Re","Synthesis, Structure, Luminescent, and Magnetic Properties of Carbonato-Bridged ZnII2LnIII2 Complexes [(μ4-CO3)2{ZnIILnLnIII(NO3)}2] (LnIII= GdIII, TbIII, DyIII; L1=N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato, L2=N,N'-Bis(3-ethoxy-2-oxybenzylidene)-1,3-propanediaminato)","Inorganic Chemistry","2013","52","","12828","12841","10.1021/ic4022273","","","0.71075","MoKα","","","0.0348","","","","0.1033","","","","","","1.095","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336660","10.3463","0.0011","13.746","0.0017","19.048","0.0019","83.849","0.004","80.98","0.003","83.788","0.004","2648.6","0.5","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H57 Gd2 N6 O22.5 Zn2 -","- C46 H43 Gd2 N6 O22.5 Zn2 -","- C92 H86 Gd4 N12 O45 Zn4 -","2","1","","Kiyomi Ehama; Yusuke Ohmichi; Soichiro Sakamoto; Takeshi Fujinami; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Masanobu Tsuchimoto; Nazzareno Re","Synthesis, Structure, Luminescent, and Magnetic Properties of Carbonato-Bridged ZnII2LnIII2 Complexes [(μ4-CO3)2{ZnIILnLnIII(NO3)}2] (LnIII= GdIII, TbIII, DyIII; L1=N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato, L2=N,N'-Bis(3-ethoxy-2-oxybenzylidene)-1,3-propanediaminato)","Inorganic Chemistry","2013","52","","12828","12841","10.1021/ic4022273","","","0.71075","MoKα","","","0.0911","","","","0.2227","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336661","10.3655","0.0008","13.731","0.0008","19.0898","0.0012","83.796","0.0017","80.553","0.0019","83.2","0.0018","2650.4","0.3","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H57 N6 O22.5 Tb2 Zn2 -","- C46 H48 N6 O22.5 Tb2 Zn2 -","- C92 H96 N12 O45 Tb4 Zn4 -","2","1","","Kiyomi Ehama; Yusuke Ohmichi; Soichiro Sakamoto; Takeshi Fujinami; Naohide Matsumoto; Naotaka Mochida; Takayuki Ishida; Yukinari Sunatsuki; Masanobu Tsuchimoto; Nazzareno Re","Synthesis, Structure, Luminescent, and Magnetic Properties of Carbonato-Bridged ZnII2LnIII2 Complexes [(μ4-CO3)2{ZnIILnLnIII(NO3)}2] (LnIII= GdIII, TbIII, DyIII; L1=N,N'-Bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato, L2=N,N'-Bis(3-ethoxy-2-oxybenzylidene)-1,3-propanediaminato)","Inorganic Chemistry","2013","52","","12828","12841","10.1021/ic4022273","","","0.71075","MoKα","","","0.0664","","","","0.1478","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336662","16.518","0.007","18.591","0.007","37.278","0.012","90","","114.121","0.014","90","","10448","7","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H47 Cu3 F54 Gd N8 O22 -","- C79 H47 Cu3 F54 Gd N8 O22 -","- C316 H188 Cu12 F216 Gd4 N32 O88 -","4","1","","Mei Zhu; Yun-Gai Li; Yue Ma; Li-Cun Li; Dai-Zheng Liao","Unprecedented Nitronyl Nitroxide Bridged 3d-4f Complexes: Structure and Magnetic Properties","Inorganic Chemistry","2013","52","","12326","12328","10.1021/ic402241f","","","0.71073","MoKα","","0.0902","0.0784","","","0.179","0.1883","","","","","","1.063","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336663","16.607","0.004","18.888","0.004","37.465","0.007","90","","114.352","0.008","90","","10706","4","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H47 Cu3 Dy F54 N8 O22 -","- C79 H47 Cu3 Dy F54 N8 O22 -","- C316 H188 Cu12 Dy4 F216 N32 O88 -","4","1","","Mei Zhu; Yun-Gai Li; Yue Ma; Li-Cun Li; Dai-Zheng Liao","Unprecedented Nitronyl Nitroxide Bridged 3d-4f Complexes: Structure and Magnetic Properties","Inorganic Chemistry","2013","52","","12326","12328","10.1021/ic402241f","","","0.71073","MoKα","","0.0964","0.0892","","","0.1864","0.1908","","","","","","1.065","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336664","9.3693","0.0007","10.585","0.0008","14.842","0.001","82.895","0.003","82.387","0.003","79.554","0.004","1427.27","0.18","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H64 Cu2 N2 P6 -","- C48 H64 Cu2 N2 P6 -","- C48 H64 Cu2 N2 P6 -","1","0.5","","Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Noninnocent Behavior of Bidentate Amidophosphido [NP]2-Ligands upon Coordination to Copper","Inorganic Chemistry","2013","52","","12329","12331","10.1021/ic402257z","","","0.71073","MoKα","","0.0571","0.0403","","0.0942","0.0895","0.0942","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336665","9.7249","0.0003","19.2777","0.0006","17.1871","0.0006","90","","98.483","0.002","90","","3186.88","0.18","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H46 Cu N O P3 -","- C31 H46 Cu N O P3 -","- C124 H184 Cu4 N4 O4 P12 -","4","1","","Mark W. Bezpalko; Bruce M. Foxman; Christine M. Thomas","Noninnocent Behavior of Bidentate Amidophosphido [NP]2-Ligands upon Coordination to Copper","Inorganic Chemistry","2013","52","","12329","12331","10.1021/ic402257z","","","0.71073","MoKα","","0.0674","0.0463","","0.1154","0.1066","0.1154","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336666","12.7106","0.001","12.7106","0.001","12.7106","0.001","90","","90","","90","","2053.5","0.3","298","0.2","298","0.2","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Cs3 Ga7 O36 Se12 -","- Cs3.03 Ga7 O36 Se12 -","- Cs6.06 Ga14 O72 Se24 -","2","0.0416667","","Hyun Sun Ahn; Dong Woo Lee; Kang Min Ok","From an Open Framework to a Layered and a Hexagonal Tungsten Oxide Structure: Controlled Transformation Reactions of an Extended Solid-State Material, Cs3Ga7(SeO3)12 to Ga(OH)(SeO3) and KGa3(SeO4)2(OH)6","Inorganic Chemistry","2013","52","","12726","12730","10.1021/ic402274s","","","0.71073","MoKα","","0.0235","0.0161","","","0.0301","0.0311","","","","","","1","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336667","7.2325","0.001","7.2325","0.001","17.262","0.002","90","","90","","120","","781.99","0.18","298","0.2","298","0.2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ga3 H6 Na O14 Se2 -","- Ga3 H6 Na O14 Se2 -","- Ga9 H18 Na3 O42 Se6 -","3","0.0833333","","Hyun Sun Ahn; Dong Woo Lee; Kang Min Ok","From an Open Framework to a Layered and a Hexagonal Tungsten Oxide Structure: Controlled Transformation Reactions of an Extended Solid-State Material, Cs3Ga7(SeO3)12 to Ga(OH)(SeO3) and KGa3(SeO4)2(OH)6","Inorganic Chemistry","2013","52","","12726","12730","10.1021/ic402274s","","","0.71073","MoKα","","0.0184","0.015","","","0.032","0.0324","","","","","","1.08","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336668","7.2476","0.001","7.2476","0.001","17.746","0.002","90","","90","","120","","807.27","0.18","298","0.2","298","0.2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ga3 H6 K O14 Se2 -","- Ga3 H6 K O14 Se2 -","- Ga9 H18 K3 O42 Se6 -","3","0.0833333","","Hyun Sun Ahn; Dong Woo Lee; Kang Min Ok","From an Open Framework to a Layered and a Hexagonal Tungsten Oxide Structure: Controlled Transformation Reactions of an Extended Solid-State Material, Cs3Ga7(SeO3)12 to Ga(OH)(SeO3) and KGa3(SeO4)2(OH)6","Inorganic Chemistry","2013","52","","12726","12730","10.1021/ic402274s","","","0.71073","MoKα","","0.0245","0.0223","","","0.059","0.0597","","","","","","1.184","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336669","7.2641","0.001","7.2641","0.001","18.141","0.003","90","","90","","120","","829","0.2","298","0.2","298","0.2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Ga3 H6 O14 Rb Se2 -","- Ga3 H6 O14 Rb Se2 -","- Ga9 H18 O42 Rb3 Se6 -","3","0.0833333","","Hyun Sun Ahn; Dong Woo Lee; Kang Min Ok","From an Open Framework to a Layered and a Hexagonal Tungsten Oxide Structure: Controlled Transformation Reactions of an Extended Solid-State Material, Cs3Ga7(SeO3)12 to Ga(OH)(SeO3) and KGa3(SeO4)2(OH)6","Inorganic Chemistry","2013","52","","12726","12730","10.1021/ic402274s","","","0.71073","MoKα","","0.0192","0.0182","","","0.0511","0.0516","","","","","","1.301","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336670","10.925","0.002","21.491","0.004","21.736","0.004","91.95","0.03","99.8","0.03","96.02","0.03","4994.2","1.7","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H102 Cl10 Fe4 N8 S10 Sn6 -","- C77 H102 Cl10 Fe4 N8 S10 Sn6 -","- C154 H204 Cl20 Fe8 N16 S20 Sn12 -","2","1","","Zhiliang You; Stefanie Dehnen","Directed Formation of a Ferrocenyl-Decorated Organotin Sulfide Complex and Its Controlled Degradation","Inorganic Chemistry","2013","52","","12332","12334","10.1021/ic4022992","","","0.71073","MoKα","","0.0746","0.0362","","","0.0554","0.0586","","","","","","0.953","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336671","14.477","0.001","14.948","0.001","15.913","0.001","65.48","0","78.88","0","61.08","0","2742.2","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H52 Cl6 Fe2 N4 S5 Sn3 -","- C39 H52 Cl6 Fe2 N4 S5 Sn3 -","- C78 H104 Cl12 Fe4 N8 S10 Sn6 -","2","1","","Zhiliang You; Stefanie Dehnen","Directed Formation of a Ferrocenyl-Decorated Organotin Sulfide Complex and Its Controlled Degradation","Inorganic Chemistry","2013","52","","12332","12334","10.1021/ic4022992","","","0.71073","MoKα","","0.047","0.0383","","","0.1013","0.104","","","","","","0.822","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336672","16.402","0.01","17.897","0.001","17.528","0.014","90","0","115.99","0.01","90","0","4625","5","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C37.5 H47.5 Cl8.5 Fe2 N4 S Sn2 -","- C37.5 H47.5 Cl8.5 Fe2 N4 S Sn2 -","- C150 H190 Cl34 Fe8 N16 S4 Sn8 -","4","2","","Zhiliang You; Stefanie Dehnen","Directed Formation of a Ferrocenyl-Decorated Organotin Sulfide Complex and Its Controlled Degradation","Inorganic Chemistry","2013","52","","12332","12334","10.1021/ic4022992","","","0.71073","MoKα","","0.1341","0.0821","","","0.1871","0.2039","","","","","","0.9","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336673","17.603","0.005","17.958","0.005","25.862","0.005","90","0.005","94.608","0.005","90","0.005","8149","4","103","2","103","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H92 Cl8 Fe4 N8 S3 Sn4 -","- C72 H92 Cl8 Fe4 N8 S3 Sn4 -","- C288 H368 Cl32 Fe16 N32 S12 Sn16 -","4","1","","Zhiliang You; Stefanie Dehnen","Directed Formation of a Ferrocenyl-Decorated Organotin Sulfide Complex and Its Controlled Degradation","Inorganic Chemistry","2013","52","","12332","12334","10.1021/ic4022992","","","0.71073","MoKα","","0.1325","0.0448","","","0.0612","0.0786","","","","","","0.843","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336674","25.781","0.005","10.253","0.002","8.2286","0.0016","90","","90","","90","","2175.1","0.7","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H24 Cl4 Fe N2 Sn -","- C18 H24 Cl4 Fe N2 Sn -","- C72 H96 Cl16 Fe4 N8 Sn4 -","4","1","","Zhiliang You; Stefanie Dehnen","Directed Formation of a Ferrocenyl-Decorated Organotin Sulfide Complex and Its Controlled Degradation","Inorganic Chemistry","2013","52","","12332","12334","10.1021/ic4022992","","","0.71073","MoKα","","0.0575","0.0419","","","0.0934","0.0959","","","","","","0.811","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336675","31.314","0.005","15.18","0.003","31.542","0.005","90","","115.455","0.009","90","","13538","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H59 B N10 Ni O -","- C60 H59 B N10 Ni O -","- C480 H472 B8 N80 Ni8 O8 -","8","1","","Wei-Tsung Lee; Diane A. Dickie; Alejandro J. Metta-Magaña; Jeremy M. Smith","A Tripodal Ligand Constructed from Mesoionic Carbene Donors","Inorganic Chemistry","2013","52","","12842","12846","10.1021/ic402311c","","","0.71073","MoKα","","0.1116","0.0668","","","0.1914","0.208","","","","","","0.968","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336676","30.4626","0.0017","27.5033","0.0013","17.7489","0.001","90","","93.601","0.004","90","","14841.1","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H74 B Mn N9 O4.5 -","- C69 H74 B Mn N9 O4.5 -","- C552 H592 B8 Mn8 N72 O36 -","8","1","","Wei-Tsung Lee; Diane A. Dickie; Alejandro J. Metta-Magaña; Jeremy M. Smith","A Tripodal Ligand Constructed from Mesoionic Carbene Donors","Inorganic Chemistry","2013","52","","12842","12846","10.1021/ic402311c","","","0.71073","MoKα","","0.1317","0.0714","","","0.1597","0.1828","","","","","","0.982","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4336677","12.3972","0.0011","17.5694","0.0016","23.085","0.002","90","","92.328","0.002","90","","5024","0.8","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 B Mn N6 O3 -","- C52 H52 B Mn N6 O3 -","- C208 H208 B4 Mn4 N24 O12 -","4","1","","Wei-Tsung Lee; Diane A. Dickie; Alejandro J. Metta-Magaña; Jeremy M. Smith","A Tripodal Ligand Constructed from Mesoionic Carbene Donors","Inorganic Chemistry","2013","52","","12842","12846","10.1021/ic402311c","","","0.71073","MoKα","","0.136","0.0667","","","0.1371","0.1593","","","","","","0.941","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336678","11.5279","0.0006","25.3852","0.0009","12.2121","0.0005","90","","93.929","0.003","90","","3565.3","0.3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Fe4 N Na O18 -","- C24 H28 Fe4 N Na O18 -","- C96 H112 Fe16 N4 Na4 O72 -","4","1","","An D. Nguyen; M. Diego Rail; Maheswaran Shanmugam; James C. Fettinger; Louise A. Berben","Electrocatalytic Hydrogen Evolution from Water by a Series of Iron Carbonyl Clusters","Inorganic Chemistry","2013","52","","12847","12854","10.1021/ic4023882","","","1.54178","CuKα","","0.1238","0.1016","","","0.2744","0.293","","","","","","1.062","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336679","12.7459","0.0003","16.8796","0.0004","19.9589","0.0005","90","","98.934","0.002","90","","4241.98","0.18","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 B11 Cl11 Li N3 O2 P -","- C27 H31 B11 Cl11 Li N3 O2 P -","- C108 H124 B44 Cl44 Li4 N12 O8 P4 -","4","1","","Allen L. Chan; Javier Fajardo; James H. Wright; Matthew Asay; Vincent Lavallo","Observation of Room Temperature B-Cl Activation of the HCB11Cl11- Anion and Isolation of a Stable Anionic Carboranyl Phosphazide","Inorganic Chemistry","2013","52","","12308","12310","10.1021/ic402436w","","","0.71073","MoKα","","0.1089","0.0488","","","0.0904","0.1055","","","","","","1.097","","","","has coordinates,has Fobs","179469","2020-10-21","18:00:00",""
"4336680","17.771","0.002","19.49","0.002","25.163","0.003","90","","90","","90","","8715.4","1.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C24 H39 B11 Cl10 Li N3 O6 S -","- C24 H39 B11 Cl10 Li N3 O6 S -","- C192 H312 B88 Cl80 Li8 N24 O48 S8 -","8","1","","Allen L. Chan; Javier Fajardo; James H. Wright; Matthew Asay; Vincent Lavallo","Observation of Room Temperature B-Cl Activation of the HCB11Cl11- Anion and Isolation of a Stable Anionic Carboranyl Phosphazide","Inorganic Chemistry","2013","52","","12308","12310","10.1021/ic402436w","","","0.71073","MoKα","","0.0702","0.0349","","","0.0704","0.0876","","","","","","1.081","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336681","21.0091","0.0013","36.694","0.002","9.3124","0.0006","90","","90","","90","","7179","0.8","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H31 Fe0.5 O2 -","- C19 H31 Fe0.5 O2 -","- C304 H496 Fe8 O32 -","16","1","","James A. Bellow; Philip D. Martin; Richard L. Lord; Stanislav Groysman","Reductive Coupling of Azides Mediated by an Iron(II) Bis(alkoxide) Complex","Inorganic Chemistry","2013","52","","12335","12337","10.1021/ic402517m","","","0.71073","MoKα","","0.0369","0.0316","","","0.0781","0.0799","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336682","12.9324","0.0006","12.933","0.0006","14.1689","0.0007","93.36","0.002","93.147","0.002","115.75","0.002","2122.29","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H77 Fe N3 O2 -","- C45.5 H61 Fe N3 O2 -","- C91 H122 Fe2 N6 O4 -","2","1","","James A. Bellow; Philip D. Martin; Richard L. Lord; Stanislav Groysman","Reductive Coupling of Azides Mediated by an Iron(II) Bis(alkoxide) Complex","Inorganic Chemistry","2013","52","","12335","12337","10.1021/ic402517m","","","0.71073","MoKα","","0.0685","0.0536","","","0.1488","0.16","","","","","","1.032","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336683","9.297","0.0004","10.3736","0.0005","18.8629","0.0009","104.534","0.001","94.712","0.001","101.164","0.001","1711.21","0.14","293","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H39 Cl Fe N11 Ni O7 -","- C30 H39 Cl Fe N11 Ni O7 -","- C60 H78 Cl2 Fe2 N22 Ni2 O14 -","2","1","","Susanta Hazra; Sagarika Bhattacharya; Mukesh Kumar Singh; Luca Carrella; Eva Rentschler; Thomas Weyhermueller; Gopalan Rajaraman; Sasankasekhar Mohanta","Syntheses, Structures, Magnetic Properties, and Density Functional Theory Magneto-Structural Correlations of Bis(μ-phenoxo) and Bis(μ-phenoxo)-μ-acetate/Bis(μ-phenoxo)-bis(μ-acetate) Dinuclear FeIIINiII Compounds","Inorganic Chemistry","2013","52","","12881","12892","10.1021/ic400345w","","","0.71073","MoKα","","0.0655","0.0418","","","0.0976","0.1119","","","","","","0.852","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336684","11.7203","0.0007","16.0018","0.0009","22.9976","0.0011","90","","117.61","0.003","90","","3821.9","0.4","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C32 H40 Cl Fe N4 Ni O11.7 -","- C32 H40 Cl Fe N4 Ni O11.7 -","- C128 H160 Cl4 Fe4 N16 Ni4 O46.8 -","4","1","","Susanta Hazra; Sagarika Bhattacharya; Mukesh Kumar Singh; Luca Carrella; Eva Rentschler; Thomas Weyhermueller; Gopalan Rajaraman; Sasankasekhar Mohanta","Syntheses, Structures, Magnetic Properties, and Density Functional Theory Magneto-Structural Correlations of Bis(μ-phenoxo) and Bis(μ-phenoxo)-μ-acetate/Bis(μ-phenoxo)-bis(μ-acetate) Dinuclear FeIIINiII Compounds","Inorganic Chemistry","2013","52","","12881","12892","10.1021/ic400345w","","","0.71073","MoKα","","0.0743","0.0453","","","0.1168","0.136","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336685","16.789","0.004","20.843","0.004","21.923","0.004","90","","109.19","0.03","90","","7245","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C116 H206 Dy6 N20 O46 -","- C116 H198 Dy6 N20 O46 -","- C232 H396 Dy12 N40 O92 -","2","0.5","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0406","0.0334","","","0.0763","0.0781","","","","","","1.008","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336686","14.036","0.007","14.916","0.005","14.725","0.008","90","","108.75","0.05","90","","2919","3","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48.6 H82.2 Cl4 N6 O10 Y3 -","- C48.63 H79.52 Cl4 N6 O10 Y3 -","- C97.26 H159.04 Cl8 N12 O20 Y6 -","2","1","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0643","0.0534","","","0.1276","0.1302","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336687","11.481","0.004","12.072","0.004","12.9","0.004","96.9","0.03","91.94","0.03","92.08","0.03","1772.5","1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C53.7 H101 N10 O26.3 Sm3 -","- C53.73 H99.92 N10 O26.34 Sm3 -","- C53.73 H99.92 N10 O26.34 Sm3 -","1","1","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0603","0.0491","","","0.121","0.1257","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336688","20.874","0.003","20.874","0.003","16.263","0.003","90","","90","","120","","6136.8","1.7","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C57 H101 N10 O23 Sm3 -","- C57 H95 N9 O20 Sm3 -","- C171 H285 N27 O60 Sm9 -","3","0.333333","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0554","0.0471","","","0.1235","0.1266","","","","","","1.03","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336689","16.546","0.004","20.898","0.004","22.017","0.004","90","","109.29","0.03","90","","7186","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C113.6 H198.8 N20 O44.8 Sm6 -","- C113.52 H188.08 N20 O44.66 Sm6 -","- C227.04 H376.16 N40 O89.32 Sm12 -","2","0.5","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0495","0.042","","","0.1077","0.1104","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336690","16.783","0.004","20.9","0.004","21.933","0.004","90","","109.39","0.03","90","","7257","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C116 H206 Gd6 N20 O46 -","- C116 H198 Gd6 N20 O46 -","- C232 H396 Gd12 N40 O92 -","2","0.5","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0499","0.0396","","","0.0886","0.0913","","","","","","1.002","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336691","16.84","0.004","20.925","0.004","21.945","0.004","90","","109.35","0.03","90","","7296","3","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C116 H206 Gd6 N20 O46 -","- C116 H198 Gd6 N20 O46 -","- C232 H396 Gd12 N40 O92 -","2","0.5","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0451","0.0439","","","0.0951","0.0958","","","","","","1.046","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336692","16.754","0.004","21.039","0.004","22.024","0.004","90","","109.66","0.03","90","","7311","3","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C116 H206 N20 Nd6 O46 -","- C116 H198 N20 Nd6 O46 -","- C232 H396 N40 Nd12 O92 -","2","0.5","","Michał J. Kobyłka; Katarzyna Ślepokura; Maria Acebrón Rodicio; Marta Paluch; Jerzy Lisowski","Incorporation of Trinuclear Lanthanide(III) Hydroxo Bridged Clusters in Macrocyclic Frameworks","Inorganic Chemistry","2013","52","","12893","12903","10.1021/ic400508y","","","0.71073","MoKα","","0.0583","0.0442","","","0.1004","0.1042","","","","","","1.016","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336693","10.3959","0.0004","16.2297","0.0005","20.0857","0.0006","91.529","0.003","90.82","0.003","103.129","0.003","3298.43","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Co N6 S2 -","- C30 H36 Co N6 S2 -","- C120 H144 Co4 N24 S8 -","4","2","","Susanne Wöhlert; Tomasz Fic; Zbigniew Tomkowicz; Stefan G. Ebbinghaus; Michał Rams; Wolfgang Haase; Christian Näther","Structural and Magnetic Studies of a New Co(II) Thiocyanato Coordination Polymer Showing Slow Magnetic Relaxations and a Metamagnetic Transition","Inorganic Chemistry","2013","52","","12947","12957","10.1021/ic4012235","","","0.71073","MoKα","","0.0837","0.0617","","","0.1605","0.1746","","","","","","1.049","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336694","15.5182","0.0009","11.4066","0.0004","27.9992","0.001","90","","90","","90","","4956.1","0.4","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H54 Co2 N10 S4 -","- C46 H54 Co2 N10 S4 -","- C184 H216 Co8 N40 S16 -","4","0.5","","Susanne Wöhlert; Tomasz Fic; Zbigniew Tomkowicz; Stefan G. Ebbinghaus; Michał Rams; Wolfgang Haase; Christian Näther","Structural and Magnetic Studies of a New Co(II) Thiocyanato Coordination Polymer Showing Slow Magnetic Relaxations and a Metamagnetic Transition","Inorganic Chemistry","2013","52","","12947","12957","10.1021/ic4012235","","","0.71073","MoKα","","0.085","0.0404","","","0.0787","0.0914","","","","","","0.954","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336695","11.2697","0.0006","39.566","0.003","9.1863","0.0005","90","","115.23","0.006","90","","3705.4","0.4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H18 Co N4 S2 -","- C16 H18 Co N4 S2 -","- C128 H144 Co8 N32 S16 -","8","2","","Susanne Wöhlert; Tomasz Fic; Zbigniew Tomkowicz; Stefan G. Ebbinghaus; Michał Rams; Wolfgang Haase; Christian Näther","Structural and Magnetic Studies of a New Co(II) Thiocyanato Coordination Polymer Showing Slow Magnetic Relaxations and a Metamagnetic Transition","Inorganic Chemistry","2013","52","","12947","12957","10.1021/ic4012235","","","0.71073","MoKα","","0.0564","0.041","","","0.096","0.1027","","","","","","0.96","","","","has coordinates,has disorder","179469","2020-10-21","18:00:00",""
"4336696","3.71128","0.00023","3.68935","0.00024","12.39","0.0008","90","","90.686","0.0005","90","","169.634","0.019","298","","","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- Al Eu2 N0.1 O3.75 -","- Al Eu2 N0.1 O3.75 -","- Al2 Eu4 N0.2 O7.5 -","2","0.5","","Keitaro Tezuka; Yoshimi Tokuhara; Makoto Wakeshima; Yue Jin Shan; Hideo Imoto; Yukio Hinatsu","Crystal Structures and Properties of Europium Aluminum Oxynitride Eu2AlO3.75N0.1 and Europium Aluminum Oxide EuAl2O4","Inorganic Chemistry","2013","52","","12972","12979","10.1021/ic4013334","powder diffraction","","1.54059","CuKa1","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336697","8.44478","0.00011","8.82388","0.00012","5.15643","0.00007","90","","93.1854","0.0012","90","","383.641","0.009","298","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Al2 Eu O4 -","- Al2 Eu O4 -","- Al8 Eu4 O16 -","4","2","","Keitaro Tezuka; Yoshimi Tokuhara; Makoto Wakeshima; Yue Jin Shan; Hideo Imoto; Yukio Hinatsu","Crystal Structures and Properties of Europium Aluminum Oxynitride Eu2AlO3.75N0.1 and Europium Aluminum Oxide EuAl2O4","Inorganic Chemistry","2013","52","","12972","12979","10.1021/ic4013334","powder diffraction","","1.54059","CuKa1","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336698","8.8359","0.0001","14.7292","0.0002","18.2243","0.0003","90","","90","","90","","2371.81","0.06","160","2","160","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C26 H22 O5 P Re -","- C26 H22 O5 P Re -","- C104 H88 O20 P4 Re4 -","4","1","","Charalampos Triantis; Theodoros Tsotakos; Charalampos Tsoukalas; Marina Sagnou; Catherine Raptopoulou; Aris Terzis; Vassilis Psycharis; Maria Pelecanou; Ioannis Pirmettis; Minas Papadopoulos","Synthesis and Characterization of fac-[M(CO)3(P)(OO)] and cis-trans-[M(CO)2(P)2(OO)] Complexes (M = Re,99mTc) with Acetylacetone and Curcumin as OO Donor Bidentate Ligands","Inorganic Chemistry","2013","52","","12995","13003","10.1021/ic401503b","","","1.54178","CuKα","","0.0271","0.0264","","","0.0639","0.0646","","","","","","1.074","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336699","8.15627","0.00015","8.77185","0.00016","14.6828","0.0003","81.1711","0.0009","85.3477","0.0009","85.7727","0.0008","1032.62","0.03","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H20 O5 P Re -","- C21 H20 O5 P Re -","- C42 H40 O10 P2 Re2 -","2","1","","Charalampos Triantis; Theodoros Tsotakos; Charalampos Tsoukalas; Marina Sagnou; Catherine Raptopoulou; Aris Terzis; Vassilis Psycharis; Maria Pelecanou; Ioannis Pirmettis; Minas Papadopoulos","Synthesis and Characterization of fac-[M(CO)3(P)(OO)] and cis-trans-[M(CO)2(P)2(OO)] Complexes (M = Re,99mTc) with Acetylacetone and Curcumin as OO Donor Bidentate Ligands","Inorganic Chemistry","2013","52","","12995","13003","10.1021/ic401503b","","","1.54186","CuKα","","0.0408","0.0398","","","0.0902","0.091","","","","","","1.034","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336700","15.579","0.0002","9.4479","0.0001","25.0922","0.0005","90","","101.587","0.001","90","","3618.03","0.09","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H37 O4 P2 Re -","- C43 H37 O4 P2 Re -","- C172 H148 O16 P8 Re4 -","4","0.5","","Charalampos Triantis; Theodoros Tsotakos; Charalampos Tsoukalas; Marina Sagnou; Catherine Raptopoulou; Aris Terzis; Vassilis Psycharis; Maria Pelecanou; Ioannis Pirmettis; Minas Papadopoulos","Synthesis and Characterization of fac-[M(CO)3(P)(OO)] and cis-trans-[M(CO)2(P)2(OO)] Complexes (M = Re,99mTc) with Acetylacetone and Curcumin as OO Donor Bidentate Ligands","Inorganic Chemistry","2013","52","","12995","13003","10.1021/ic401503b","","","1.54178","CuKα","","0.0489","0.0449","","","0.1042","0.1058","","","","","","1.058","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336701","21.7703","0.0004","9.1874","0.0001","16.274","0.0003","90","0.001","104.73","0.001","90","","3148.03","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H33 O4 P2 Re -","- C33 H33 O4 P2 Re -","- C132 H132 O16 P8 Re4 -","4","0.5","","Charalampos Triantis; Theodoros Tsotakos; Charalampos Tsoukalas; Marina Sagnou; Catherine Raptopoulou; Aris Terzis; Vassilis Psycharis; Maria Pelecanou; Ioannis Pirmettis; Minas Papadopoulos","Synthesis and Characterization of fac-[M(CO)3(P)(OO)] and cis-trans-[M(CO)2(P)2(OO)] Complexes (M = Re,99mTc) with Acetylacetone and Curcumin as OO Donor Bidentate Ligands","Inorganic Chemistry","2013","52","","12995","13003","10.1021/ic401503b","","","1.54178","CuKα","","0.0229","0.0224","","","0.056","0.0565","","","","","","1.072","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336702","26.7881","0.0004","9.1486","0.0001","30.0583","0.0006","90","","112.127","0.001","90","","6823.96","0.19","160","2","160","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C76 H74 O10 P2 Re -","- C76 H49 O10 P2 Re -","- C304 H196 O40 P8 Re4 -","4","0.5","","Charalampos Triantis; Theodoros Tsotakos; Charalampos Tsoukalas; Marina Sagnou; Catherine Raptopoulou; Aris Terzis; Vassilis Psycharis; Maria Pelecanou; Ioannis Pirmettis; Minas Papadopoulos","Synthesis and Characterization of fac-[M(CO)3(P)(OO)] and cis-trans-[M(CO)2(P)2(OO)] Complexes (M = Re,99mTc) with Acetylacetone and Curcumin as OO Donor Bidentate Ligands","Inorganic Chemistry","2013","52","","12995","13003","10.1021/ic401503b","","","1.54178","CuKα","","0.0382","0.0373","","","0.1026","0.1032","","","","","","1.074","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336703","11.3059","0.0017","18.656","0.002","23.199","0.003","90","0.009","90","0.011","90","0.011","4893.2","1.1","208","2","208","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C50 H44 Cl2 N6 O12 Zn4 -","- C50 H44 Cl2 N6 O12 Zn4 -","- C200 H176 Cl8 N24 O48 Zn16 -","4","0.5","","Femke F. B. J. Janssen; Laurens C. J. M. Peters; Paul P. J. Schlebos; Jan M. M. Smits; René de Gelder; Alan E. Rowan","Uncorrelated Dynamical Processes in Tetranuclear Carboxylate Clusters Studied by Variable-Temperature 1H NMR Spectroscopy.","Inorganic Chemistry","2013","52","","13004","13013","10.1021/ic401522v","","","0.71073","MoKα","","0.0939","0.0872","","0.1948","0.1912","0.1948","","","1.157","","","1.157","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336704","11.3022","0.0016","22.274","0.004","21.923","0.003","90","","103.818","0.01","90","","5359.3","1.4","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H58 N6 O15 Zn4 -","- C52 H54 N6 O14 Zn4 -","- C208 H216 N24 O56 Zn16 -","4","1","","Femke F. B. J. Janssen; Laurens C. J. M. Peters; Paul P. J. Schlebos; Jan M. M. Smits; René de Gelder; Alan E. Rowan","Uncorrelated Dynamical Processes in Tetranuclear Carboxylate Clusters Studied by Variable-Temperature 1H NMR Spectroscopy.","Inorganic Chemistry","2013","52","","13004","13013","10.1021/ic401522v","","","0.71073","MoKα","","0.0536","0.0381","","0.1005","0.0951","0.1005","","","1.133","","","1.133","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336705","14.39","0.0008","16.143","0.0009","23.611","0.003","90","","90","","90","","5484.8","0.8","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C53 H55 Cd4 N7 O14 -","- C53 H53 Cd4 N7 O14 -","- C212 H212 Cd16 N28 O56 -","4","1","","Femke F. B. J. Janssen; Laurens C. J. M. Peters; Paul P. J. Schlebos; Jan M. M. Smits; René de Gelder; Alan E. Rowan","Uncorrelated Dynamical Processes in Tetranuclear Carboxylate Clusters Studied by Variable-Temperature 1H NMR Spectroscopy.","Inorganic Chemistry","2013","52","","13004","13013","10.1021/ic401522v","","","0.71073","MoKα","","0.1","0.0504","","0.0809","0.0706","0.0809","","","1.092","","","1.092","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336706","16.321","0.0017","15.815","0.002","25.08","0.003","90","","92.57","0.01","90","","6467.1","1.3","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C71 H58 N6 O14 Zn4 -","- C67.554 H56.276 N6 O13.685 Zn4 -","- C270.216 H225.104 N24 O54.74 Zn16 -","4","1","","Femke F. B. J. Janssen; Laurens C. J. M. Peters; Paul P. J. Schlebos; Jan M. M. Smits; René de Gelder; Alan E. Rowan","Uncorrelated Dynamical Processes in Tetranuclear Carboxylate Clusters Studied by Variable-Temperature 1H NMR Spectroscopy.","Inorganic Chemistry","2013","52","","13004","13013","10.1021/ic401522v","","","0.71073","MoKα","","0.1234","0.0648","","0.1566","0.1351","0.1566","","","1.062","","","1.062","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336707","14.5599","0.0006","15.9732","0.0007","15.5271","0.0016","90","","104.473","0.006","90","","3496.5","0.4","208","2","208","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C64 H72 Cl6 N6 O14 Zn4 -","- C64 H72 Cl6 N6 O14 Zn4 -","- C128 H144 Cl12 N12 O28 Zn8 -","2","0.5","","Femke F. B. J. Janssen; Laurens C. J. M. Peters; Paul P. J. Schlebos; Jan M. M. Smits; René de Gelder; Alan E. Rowan","Uncorrelated Dynamical Processes in Tetranuclear Carboxylate Clusters Studied by Variable-Temperature 1H NMR Spectroscopy.","Inorganic Chemistry","2013","52","","13004","13013","10.1021/ic401522v","","","0.71073","MoKα","","0.0854","0.0605","","0.1676","0.15","0.1676","","","1.031","","","1.031","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336708","8.8503","0.0005","24.955","0.003","15.6176","0.0019","90","","92.139","0.007","90","","3446.9","0.6","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N6 O9 Zn2 -","- C26 H26 N4 O7 Zn2 -","- C104 H104 N16 O28 Zn8 -","4","1","","Femke F. B. J. Janssen; Laurens C. J. M. Peters; Paul P. J. Schlebos; Jan M. M. Smits; René de Gelder; Alan E. Rowan","Uncorrelated Dynamical Processes in Tetranuclear Carboxylate Clusters Studied by Variable-Temperature 1H NMR Spectroscopy.","Inorganic Chemistry","2013","52","","13004","13013","10.1021/ic401522v","","","0.71073","MoKα","","0.1655","0.1022","","0.2305","0.2077","0.2305","","","1.075","","","1.075","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336709","13.1546","0.0012","22.634","0.002","13.0599","0.0011","90","","119.539","0.003","90","","3383","0.5","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 N6 O3 Zn -","- C42 H34 N6 O3 Zn -","- C168 H136 N24 O12 Zn4 -","4","1","","Natasha Van Damme; Alan J. Lough; Serge I. Gorelsky; Martin T. Lemaire","Molecular and Electronic Structures of Complexes Containing 1-(2-pyridylazo)-2-phenanthrol (PAPL): Revisiting a Redox-Active Ligand","Inorganic Chemistry","2013","52","","13021","13028","10.1021/ic401618u","","","1.54178","CuKα","","0.0381","0.0363","","","0.0934","0.0949","","","","","","1.031","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336710","13.1386","0.0005","22.2937","0.0009","13.1559","0.0005","90","","118.313","0.002","90","","3392.5","0.2","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 Mn N6 O2 -","- C38 H24 Mn N6 O2 -","- C152 H96 Mn4 N24 O8 -","4","1","","Natasha Van Damme; Alan J. Lough; Serge I. Gorelsky; Martin T. Lemaire","Molecular and Electronic Structures of Complexes Containing 1-(2-pyridylazo)-2-phenanthrol (PAPL): Revisiting a Redox-Active Ligand","Inorganic Chemistry","2013","52","","13021","13028","10.1021/ic401618u","","","1.54178","CuKα","","0.0472","0.0413","","","0.1057","0.1084","","","","","","1.073","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336711","22.6908","0.001","12.971","0.0006","22.7828","0.001","90","","90","","90","","6705.5","0.5","147","2","147","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C42 H32 N6 Ni O3 -","- C42 H32 N6 Ni O3 -","- C336 H256 N48 Ni8 O24 -","8","1","","Natasha Van Damme; Alan J. Lough; Serge I. Gorelsky; Martin T. Lemaire","Molecular and Electronic Structures of Complexes Containing 1-(2-pyridylazo)-2-phenanthrol (PAPL): Revisiting a Redox-Active Ligand","Inorganic Chemistry","2013","52","","13021","13028","10.1021/ic401618u","","","1.54178","CuKα","","0.0876","0.0526","","","0.134","0.1532","","","","","","1.032","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336712","3.8557","0.0003","3.8557","0.0003","6.7928","0.0007","90","","90","","120","","87.455","0.013","298","","298","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Fe1.56 Na0.98 S2 -","- Fe1.558 Na0.978 S2 -","- Fe1.558 Na0.978 S2 -","1","0.0833333","","Xiaofang Lai; Xiaolong Chen; Shifeng Jin; Gang Wang; Tingting Zhou; Tianping Ying; Han Zhang; Shijie Shen; Wanyan Wang","New Layered Iron Sulfide NaFe1.6S2: Synthesis and Characterization","Inorganic Chemistry","2013","52","","12860","12862","10.1021/ic4016349","powder diffraction","","1.5418","CuKα","","","","","","","","","7.3302","1.418","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336713","9.5619","0.0001","11.8213","0.0002","13.9609","0.0002","102.679","0.001","113.885","0.001","96.269","0.001","1372.59","0.04","292","2","292","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H47 Cl11 N2 O2 P2 Pt -","- C42 H44 Cl2 N2 O2 P2 Pt -","- C42 H44 Cl2 N2 O2 P2 Pt -","1","0.5","","Daniela Giardina-Papa; Francesco P. Intini; Concetta Pacifico; Giovanni Natile","Isomerization of Platinum-Coordinated Iminoethers Induced by Spectator Ligands: Stabilization of the Z anti Configuration","Inorganic Chemistry","2013","52","","13058","13067","10.1021/ic4017118","","","0.71073","MoKα","","0.0418","0.0399","","","0.095","0.0962","","","","","","1.07","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336714","12.2211","0.0005","12.3191","0.0005","20.3835","0.0008","79.794","0.002","82.135","0.002","61.101","0.001","2639.46","0.19","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H87 B4 F16 N21 Ni2 -","- C104 H72 B4 F16 N21 Ni2 -","- C104 H72 B4 F16 N21 Ni2 -","1","0.5","","Rodrigue Djeda; Christophe Desmarets; Lise-Marie Chamoreau; Yanling Li; Yves Journaux; Geoffrey Gontard; Hani Amouri","Meso-Helicates with Rigid Angular Tetradentate Ligand: Design, Molecular Structures, and Progress Towards Self-Assembly of Metal-Organic Nanotubes","Inorganic Chemistry","2013","52","","13042","13047","10.1021/ic4017195","","","0.71073","MoKα","","0.0882","0.0642","","","0.1908","0.2099","","","","","","1.053","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336715","12.2124","0.0005","12.2837","0.0004","20.3129","0.0008","80.283","0.002","82.214","0.002","61.529","0.001","2634.92","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H87 B4 Co2 F16 N21 -","- C104 H87 B4 Co2 F16 N21 -","- C104 H87 B4 Co2 F16 N21 -","1","0.5","","Rodrigue Djeda; Christophe Desmarets; Lise-Marie Chamoreau; Yanling Li; Yves Journaux; Geoffrey Gontard; Hani Amouri","Meso-Helicates with Rigid Angular Tetradentate Ligand: Design, Molecular Structures, and Progress Towards Self-Assembly of Metal-Organic Nanotubes","Inorganic Chemistry","2013","52","","13042","13047","10.1021/ic4017195","","","0.71073","MoKα","","0.1056","0.0683","","","0.195","0.2235","","","","","","1.042","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336716","12.6175","0.0014","10.633","0.0012","22.807","0.003","90","","93.803","0.001","90","","3053.1","0.6","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 N3 Rh -","- C40 H34 N3 Rh -","- C160 H136 N12 Rh4 -","4","1","","Nihal Deligonul; Thomas G. Gray","Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)","Inorganic Chemistry","2013","52","","13048","13057","10.1021/ic4017239","","","0.71073","MoKα","","0.0455","0.0407","","","0.1381","0.1477","","","","","","1.142","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336717","10.2972","0.0009","13.2627","0.0011","22.439","0.0019","90","","101.634","0.001","90","","3001.5","0.4","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Ir N3 -","- C40 H34 Ir N3 -","- C160 H136 Ir4 N12 -","4","1","","Nihal Deligonul; Thomas G. Gray","Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)","Inorganic Chemistry","2013","52","","13048","13057","10.1021/ic4017239","","","0.71073","MoKα","","0.0339","0.0288","","","0.055","0.0557","","","","","","1.851","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336718","14.1784","0.0019","23.734","0.003","8.0554","0.0011","90","","91.212","0.002","90","","2710.1","0.6","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N3 O2 Rh -","- C34 H22 N3 O2 Rh -","- C136 H88 N12 O8 Rh4 -","4","1","","Nihal Deligonul; Thomas G. Gray","Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)","Inorganic Chemistry","2013","52","","13048","13057","10.1021/ic4017239","","","0.71073","MoKα","","0.149","0.059","","","0.1619","0.2321","","","","","","1.074","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336719","10.3363","0.0009","12.367","0.0011","14.0491","0.0013","95.347","0.001","95.91","0.001","103.423","0.001","1724.8","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 N3 O2 Rh -","- C42 H38 N3 O2 Rh -","- C84 H76 N6 O4 Rh2 -","2","1","","Nihal Deligonul; Thomas G. Gray","Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)","Inorganic Chemistry","2013","52","","13048","13057","10.1021/ic4017239","","","0.71073","MoKα","","0.0577","0.0486","","","0.1008","0.1047","","","","","","1.122","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336720","10.6228","0.001","14.9067","0.0014","21.35","0.002","92.276","0.001","95.602","0.001","98.423","0.001","3323.3","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 N3 O5 Rh -","- C40 H34 N3 O5 Rh -","- C160 H136 N12 O20 Rh4 -","4","2","","Nihal Deligonul; Thomas G. Gray","Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)","Inorganic Chemistry","2013","52","","13048","13057","10.1021/ic4017239","","","0.71073","MoKα","","0.053","0.0403","","","0.1323","0.146","","","","","","1.055","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336721","14.2132","0.0011","24.0965","0.0019","8.8235","0.0007","90","","105.157","0.001","90","","2916.8","0.4","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N3 O4 Rh -","- C36 H26 N3 O4 Rh -","- C144 H104 N12 O16 Rh4 -","4","1","","Nihal Deligonul; Thomas G. Gray","Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)","Inorganic Chemistry","2013","52","","13048","13057","10.1021/ic4017239","","","0.71073","MoKα","","0.0268","0.0237","","","0.0672","0.0752","","","","","","1.095","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336722","8.3394","0.0007","9.8567","0.0008","24.22","0.002","94.434","0.001","92.956","0.001","114.087","0.001","1804.5","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H42 N3 O3 Rh -","- C45 H42 N3 O3 Rh -","- C90 H84 N6 O6 Rh2 -","2","1","","Nihal Deligonul; Thomas G. Gray","Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)","Inorganic Chemistry","2013","52","","13048","13057","10.1021/ic4017239","","","0.71073","MoKα","","0.0625","0.0411","","","0.0946","0.1148","","","","","","1.041","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336723","13.1606","0.0012","10.8048","0.001","22.753","0.002","90","","95.464","0.001","90","","3220.7","0.5","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Cl3 N3 Pt -","- C34 H24 Cl3 N3 Pt -","- C136 H96 Cl12 N12 Pt4 -","4","1","","Nihal Deligonul; Thomas G. Gray","Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)","Inorganic Chemistry","2013","52","","13048","13057","10.1021/ic4017239","","","0.71073","MoKα","","0.0507","0.0358","","","0.0783","0.0835","","","","","","1.039","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336724","10.133","0.003","12.253","0.003","16.066","0.005","104.306","0.003","102.713","0.003","90.288","0.004","1881.8","0.9","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H28 Br2 Cl N3 O2 Pt -","- C36 H28 Br2 Cl N3 O2 Pt -","- C72 H56 Br4 Cl2 N6 O4 Pt2 -","2","1","","Nihal Deligonul; Thomas G. Gray","Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)","Inorganic Chemistry","2013","52","","13048","13057","10.1021/ic4017239","","","0.71073","MoKα","","0.0914","0.0568","","","0.1535","0.1677","","","","","","1.025","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336725","12.512","0.003","10.357","0.003","26.596","0.006","90","","91.662","0.003","90","","3445","1.5","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H39 N3 O2 Pd -","- C42 H39 N3 O2 Pd -","- C168 H156 N12 O8 Pd4 -","4","2","","Nihal Deligonul; Thomas G. Gray","Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)","Inorganic Chemistry","2013","52","","13048","13057","10.1021/ic4017239","","","0.71073","MoKα","","0.144","0.0663","","","0.128","0.1722","","","","","","1","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336726","13.0205","0.0005","22.8391","0.0009","26.1866","0.001","90","","90","","90","","7787.3","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C78 H92 Cl Dy3 N8 Ni2 O18 -","- C78 H92 Cl Dy3 N8 Ni2 O18 -","- C312 H368 Cl4 Dy12 N32 Ni8 O72 -","4","1","","Vadapalli Chandrasekhar; Prasenjit Bag; Wolfgang Kroener; Klaus Gieb; Paul Müller","Pentanuclear Heterometallic {Ni2Ln3} (Ln = Gd, Dy, Tb, Ho) Assemblies. Single-Molecule Magnet Behavior and Multistep Relaxation in the Dysprosium Derivative","Inorganic Chemistry","2013","52","","13078","13086","10.1021/ic4019025","","","0.71073","MoKα","","0.0685","0.0505","","","0.1212","0.1364","","","","","","1.055","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336727","13.0447","0.0009","26.2289","0.0019","22.8835","0.0017","90","","90","","90","","7829.5","1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C79 H98 Cl Gd3 N8 Ni2 O20 -","- C79 H98 Cl Gd3 N8 Ni2 O20 -","- C316 H392 Cl4 Gd12 N32 Ni8 O80 -","4","1","","Vadapalli Chandrasekhar; Prasenjit Bag; Wolfgang Kroener; Klaus Gieb; Paul Müller","Pentanuclear Heterometallic {Ni2Ln3} (Ln = Gd, Dy, Tb, Ho) Assemblies. Single-Molecule Magnet Behavior and Multistep Relaxation in the Dysprosium Derivative","Inorganic Chemistry","2013","52","","13078","13086","10.1021/ic4019025","","","0.71073","MoKα","","0.0966","0.0586","","","0.1244","0.1526","","","","","","0.996","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336728","13.198","0.003","26.42","0.005","23.571","0.005","90","","90.52","0.03","90","","8219","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H92 Cl5 N8 Ni2 O18 Tb3 -","- C78 H92 Cl5 N8 Ni2 O18 Tb3 -","- C312 H368 Cl20 N32 Ni8 O72 Tb12 -","4","1","","Vadapalli Chandrasekhar; Prasenjit Bag; Wolfgang Kroener; Klaus Gieb; Paul Müller","Pentanuclear Heterometallic {Ni2Ln3} (Ln = Gd, Dy, Tb, Ho) Assemblies. Single-Molecule Magnet Behavior and Multistep Relaxation in the Dysprosium Derivative","Inorganic Chemistry","2013","52","","13078","13086","10.1021/ic4019025","","","0.71073","MoKα","","0.1456","0.0871","","","0.2089","0.2408","","","","","","1.067","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336729","13.3251","0.0009","26.546","0.002","23.1431","0.0018","90","","90.366","0.002","90","","8186.2","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H105 Cl2 Ho3 N8 Ni2 O21 -","- C81 H105 Cl2 Ho3 N8 Ni2 O21 -","- C324 H420 Cl8 Ho12 N32 Ni8 O84 -","4","1","","Vadapalli Chandrasekhar; Prasenjit Bag; Wolfgang Kroener; Klaus Gieb; Paul Müller","Pentanuclear Heterometallic {Ni2Ln3} (Ln = Gd, Dy, Tb, Ho) Assemblies. Single-Molecule Magnet Behavior and Multistep Relaxation in the Dysprosium Derivative","Inorganic Chemistry","2013","52","","13078","13086","10.1021/ic4019025","","","0.71073","MoKα","","0.1148","0.0634","","","0.1617","0.1969","","","","","","1.031","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336730","13.3214","0.0012","15.8998","0.0015","17.4795","0.0016","90","","103.658","0.001","90","","3597.6","0.6","181","2","181","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H29 F6 Ir N7 O2 P -","- C38 H29 F6 Ir N7 O2 P -","- C152 H116 F24 Ir4 N28 O8 P4 -","4","0.5","","Kun Chen; Jan W. Bats; Michael Schmittel","Iridium-Based Lab-on-a-Molecule for Hg2+ and ClO- with Two Distinct Light-Up Emissions","Inorganic Chemistry","2013","52","","12863","12865","10.1021/ic401983h","","","0.71073","MoKα","","0.0774","0.0578","","","0.0917","0.0972","","","","","","1.214","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336731","12.2322","0.0009","21.858","0.0016","15.8296","0.0012","90","","99.152","0.001","90","","4178.5","0.5","181","2","181","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F6 Ir N4 O4 P -","- C36 H24 F6 Ir N4 O4 P -","- C144 H96 F24 Ir4 N16 O16 P4 -","4","1","","Kun Chen; Jan W. Bats; Michael Schmittel","Iridium-Based Lab-on-a-Molecule for Hg2+ and ClO- with Two Distinct Light-Up Emissions","Inorganic Chemistry","2013","52","","12863","12865","10.1021/ic401983h","","","0.71073","MoKα","","0.0963","0.0658","","","0.1419","0.1511","","","","","","1.07","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336732","27.0514","0.0003","38.7599","0.0003","23.0026","0.0003","90","","113.426","0.0015","90","","22130.4","0.5","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H98 Cl6 Cu8 N20 O26 S4 -","- C76 H98 Cl6 Cu8 N20 O26 S4 -","- C608 H784 Cl48 Cu64 N160 O208 S32 -","8","1","","Erica C.M. Ording-Wenker; Maxime A. Siegler; Martin Lutz; Elisabeth Bouwman","CuI Thiolate Reactivity with Dioxygen: The Formation of CuII Sulfinate and CuII Sulfonate Species via a CuII Thiolate Intermediate","Inorganic Chemistry","2013","52","","13113","13122","10.1021/ic402001t","","","0.71073","MoKα","","0.0438","0.0335","","","0.0889","0.0928","","","","","","1.076","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336733","29.4214","0.0015","9.2998","0.0004","21.307","0.0007","90","","130.288","0.002","90","","4447.1","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C36 H48 B2 Cu2 F8 N6 O6 S2 -","- C36 H48 B2 Cu2 F8 N6 O6 S2 -","- C144 H192 B8 Cu8 F32 N24 O24 S8 -","4","0.5","","Erica C.M. Ording-Wenker; Maxime A. Siegler; Martin Lutz; Elisabeth Bouwman","CuI Thiolate Reactivity with Dioxygen: The Formation of CuII Sulfinate and CuII Sulfonate Species via a CuII Thiolate Intermediate","Inorganic Chemistry","2013","52","","13113","13122","10.1021/ic402001t","","","0.71073","MoKα","","0.0338","0.0275","","","0.0692","0.0724","","","","","","1.084","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336734","9.3137","0.0003","12.4946","0.0004","16.8065","0.0005","90","","100.346","0.003","90","","1923.99","0.11","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cu2 F6 N6 O10 S4 -","- C32 H36 Cu2 F6 N6 O10 S4 -","- C64 H72 Cu4 F12 N12 O20 S8 -","2","0.5","","Erica C.M. Ording-Wenker; Maxime A. Siegler; Martin Lutz; Elisabeth Bouwman","CuI Thiolate Reactivity with Dioxygen: The Formation of CuII Sulfinate and CuII Sulfonate Species via a CuII Thiolate Intermediate","Inorganic Chemistry","2013","52","","13113","13122","10.1021/ic402001t","","","0.71073","MoKα","","0.0668","0.0546","","","0.1516","0.1605","","","","","","1.069","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336735","6.8047","0.0011","18.747","0.002","8.4936","0.0015","90","","106.44","0.02","90","","1039.2","0.3","105","2","105","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H12 Cl Cs O6 -","- C6 H12 Cl Cs O6 -","- C24 H48 Cl4 Cs4 O24 -","4","1","","Haijian Hu; Junhui Xue; Xiaodong Wen; Weihong Li; Chao Zhang; Limin Yang; Yizhuang Xu; Guozhong Zhao; Xiaoxia Bu; Kexin Liu; Jia'er Chen; Jinguang Wu","Sugar-Metal Ion Interactions: The Complicated Coordination Structures of Cesium Ion with d-Ribose and myo-Inositol","Inorganic Chemistry","2013","52","","13132","13145","10.1021/ic402027j","","","0.71073","MoKα","","0.0567","0.0485","","","0.1202","0.1249","","","","","","1.108","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336736","6.7596","0.0014","8.8699","0.0018","15.191","0.003","90","","90","","90","","910.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 Cl Cs O5 -","- C5 H10 Cl Cs O5 -","- C20 H40 Cl4 Cs4 O20 -","4","1","","Haijian Hu; Junhui Xue; Xiaodong Wen; Weihong Li; Chao Zhang; Limin Yang; Yizhuang Xu; Guozhong Zhao; Xiaoxia Bu; Kexin Liu; Jia'er Chen; Jinguang Wu","Sugar-Metal Ion Interactions: The Complicated Coordination Structures of Cesium Ion with d-Ribose and myo-Inositol","Inorganic Chemistry","2013","52","","13132","13145","10.1021/ic402027j","","","0.71073","MoKα","","0.0253","0.025","","","0.0644","0.0645","","","","","","1.129","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336737","8.7334","0.0001","8.9939","0.0002","9.3967","0.0002","96.88","0.001","103.671","0.001","104.004","0.001","683.49","0.02","173","","173","","","","","","","","","7","P -1","-P 1","2","[FeCl2{SO(NMe)Me(NC5H4)}]2*THF","Di(μ-chloro)-dichloro-bis(N,S-dimethyl-S-2-pyridyl sulfoximine)-diiron(II) tetrahydrofuran solvate","","- C18 H28 Cl4 Fe2 N4 O3 S2 -","- C18 H28 Cl4 Fe2 N4 O3 S2 -","- C18 H28 Cl4 Fe2 N4 O3 S2 -","1","0.5","","Yvonne Brussaard; Falk Olbrich; Ernst Schaumann","Synthesis and Structural Characterization of Molybdenum(VI) and Iron(II) Coordination Compounds with S-Alkyl-N-methyl-S-(2-pyridyl)sulfoximines and Catalytic Epoxidation Activity of the Molybdenum Complexes","Inorganic Chemistry","2013","52","","13160","13166","10.1021/ic4020306","","","0.71073","MoKα","","0.0563","0.0476","","","0.1169","0.1204","","","","","","1","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336738","8.5057","0.0001","18.5753","0.0002","9.472","0.0001","90","","100.701","0.001","90","","1470.51","0.03","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[MoO(O2)2{SO(NMe)Bu(NC5H4)}]","(S-Butyl-N-methyl-S-2-pyridyl sulfoximine)(oxo)(diperoxo)molybdenum(VI)","","- C10 H16 Mo N2 O6 S -","- C10 H16 Mo N2 O6 S -","- C40 H64 Mo4 N8 O24 S4 -","4","1","","Yvonne Brussaard; Falk Olbrich; Ernst Schaumann","Synthesis and Structural Characterization of Molybdenum(VI) and Iron(II) Coordination Compounds with S-Alkyl-N-methyl-S-(2-pyridyl)sulfoximines and Catalytic Epoxidation Activity of the Molybdenum Complexes","Inorganic Chemistry","2013","52","","13160","13166","10.1021/ic4020306","","","0.71073","MoKα","","0.0259","0.0222","","","0.0577","0.0593","","","","","","1","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336739","13.4849","0.0003","13.6651","0.0003","18.6518","0.0003","95.318","0.001","98.276","0.001","97.024","0.001","3354.35","0.12","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H62 Cl2 Mn N3 O6 P6 -","- C73 H60 Cl2 Mn N3 O6 P6 -","- C146 H120 Cl4 Mn2 N6 O12 P12 -","2","1","","Alexios Grigoropoulos; Michael Pissas; Patroklos Papatolis; Vassilis Psycharis; Panayotis Kyritsis; Yiannis Sanakis","Spin-Relaxation Properties of a High-Spin Mononuclear MnIIIO6-Containing Complex","Inorganic Chemistry","2013","52","","12869","12871","10.1021/ic402042e","","","1.54178","CuKα","","0.0524","0.0478","","","0.1079","0.1122","","","","","","1.068","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336740","8.6325","0.0007","9.6777","0.0011","10.5904","0.0009","103.254","0.008","108.437","0.008","108.812","0.009","738.47","0.15","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl2 Li2 N6 O8 -","- C30 H22 Cl2 Li2 N6 O8 -","- C30 H22 Cl2 Li2 N6 O8 -","1","0.5","","Klaus Pokorny; Matthias Schmeisser; Frank Hampel; Achim Zahl; Ralph Puchta; Rudi van Eldik","Coordination of Terpyridine to Li+ in Two Different Ionic Liquids","Inorganic Chemistry","2013","52","","13167","13178","10.1021/ic4020724","","","0.7107","MoKα","","0.0557","0.0427","","","0.0986","0.1132","","","","","","1.043","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336741","9.7851","0.0002","17.2371","0.0004","13.078","0.0003","90","","101.16","0.002","90","","2164.11","0.08","173","0.1","173","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F6 Li N4 O4 S2 -","- C17 H11 F6 Li N4 O4 S2 -","- C68 H44 F24 Li4 N16 O16 S8 -","4","1","","Klaus Pokorny; Matthias Schmeisser; Frank Hampel; Achim Zahl; Ralph Puchta; Rudi van Eldik","Coordination of Terpyridine to Li+ in Two Different Ionic Liquids","Inorganic Chemistry","2013","52","","13167","13178","10.1021/ic4020724","","","0.7107","MoKα","","0.0569","0.0438","","","0.1042","0.1155","","","","","","1.046","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336742","9.042","0.002","10.886","0.003","11.504","0.003","92.538","0.01","107.026","0.009","104.393","0.009","1040.3","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H9 N2 O9 S2 Zn -","- C15 H9 N2 O9 S2 Zn -","- C30 H18 N4 O18 S4 Zn2 -","2","1","","Suresh Sanda; Srinivasulu Parshamoni; Sanjit Konar","Third-Generation Breathing Metal-Organic Framework with Selective, Stepwise, Reversible, and Hysteretic Adsorption Properties","Inorganic Chemistry","2013","52","","12866","12868","10.1021/ic402095u","","","0.71073","MoKα","","0.0342","0.0328","","","0.1491","0.151","","","","","","1.43","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336743","8.5094","0.0009","9.1692","0.0011","14.637","0.002","89.327","0.007","75.285","0.006","63.713","0.005","983.7","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 Br2 Cu2 O2 P2 S2 -","- C40 H42 Br2 Cu2 O2 P2 S2 -","- C40 H42 Br2 Cu2 O2 P2 S2 -","1","0.5","","Atsushi Kobayashi; Kahori Komatsu; Hiroki Ohara; Waka Kamada; Yuko Chishina; Kiyoshi Tsuge; Ho-Chol Chang; Masako Kato","Photo- and Vapor-Controlled Luminescence of Rhombic Dicopper(I) Complexes Containing Dimethyl Sulfoxide","Inorganic Chemistry","2013","52","","13188","13198","10.1021/ic402104q","","","0.7107","MoKα","","","0.0253","","","","0.0656","","","","","","1.056","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336744","8.627","0.003","9.354","0.003","14.551","0.004","91.046","0.003","103.948","0.003","116.074","0.003","1013.2","0.6","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 Cu2 I2 O2 P2 S2 -","- C40 H42 Cu2 I2 O2 P2 S2 -","- C40 H42 Cu2 I2 O2 P2 S2 -","1","0.5","","Atsushi Kobayashi; Kahori Komatsu; Hiroki Ohara; Waka Kamada; Yuko Chishina; Kiyoshi Tsuge; Ho-Chol Chang; Masako Kato","Photo- and Vapor-Controlled Luminescence of Rhombic Dicopper(I) Complexes Containing Dimethyl Sulfoxide","Inorganic Chemistry","2013","52","","13188","13198","10.1021/ic402104q","","","0.7107","MoKα","","","0.027","","","","0.0651","","","","","","1.072","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336745","18.281","0.003","12.0656","0.0012","41.585","0.005","90","","99.526","0.008","90","","9046","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mo(kappa1-C-CNArDipp(eta6-Dipp))(CNArDipp2)2","","","- C102 H128.5 Mo N5.5 O -","- C102 H128.5 Mo N5.5 O -","- C408 H514 Mo4 N22 O4 -","4","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.1563","0.0712","","","0.1435","0.178","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336746","12.409","0.002","14.486","0.003","20.3","0.003","78.447","0.006","82.824","0.006","72.219","0.004","3396.4","1","100","","100","","","","","","","","","5","P -1","-P 1","2","Mo(kappa1-C-CNArMes(eta6-Mes))(CNArMes2)2","","","- C86 H92 F Mo N3 -","- C81 H80 F Mo N3 -","- C162 H160 F2 Mo2 N6 -","2","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.0434","0.0324","","","0.0759","0.0799","","","","","","1.031","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336747","11.8544","0.0009","13.7194","0.0009","13.9351","0.0009","66.634","0.003","74.122","0.003","66.577","0.004","1890.9","0.2","100","","100","","","","","","","","","6","P 1","P 1","1","MoI2(I3)(CNArMes2)3","","","- C79 H85 I5 Mo N3 O -","- C79 H85 I5 Mo N3 O -","- C79 H85 I5 Mo N3 O -","1","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","1.54178","CuKα","K-L~3~","0.0327","0.0308","","","0.0751","0.0764","","","","","","1.013","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336748","18.5055","0.0008","11.8182","0.0006","19.9431","0.0009","90","","110.772","0.003","90","","4078.1","0.3","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","Mo(eta6-C10H8)(CNArClips2)3","","","- C85 H74 Cl12 Mo N3 O1.5 -","- C79 H59 Cl12 Mo N3 -","- C158 H118 Cl24 Mo2 N6 -","2","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","1.54178","CuKα","K-L~3~","0.0511","0.0476","","","0.12","0.1221","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336749","17.4444","0.0005","23.2637","0.0007","21.8457","0.0006","90","","112.525","0.001","90","","8189.1","0.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mo(eta6-C6H6)(CNArClips2)3","","","- C87 H81 Cl12 Mo N3 -","- C81 H69 Cl12 Mo N3 -","- C324 H276 Cl48 Mo4 N12 -","4","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.0912","0.0567","","","0.1169","0.1278","","","","","","1.071","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336750","11.613","0.0009","17.6893","0.0016","20.1556","0.0016","94.558","0.003","90.406","0.003","102.177","0.003","4033.3","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","Mo(eta6-C6H5F)(CNArClips2)3","","","- C87 H80 Cl12 F Mo N3 -","- C87 H80 Cl12 F Mo N3 -","- C174 H160 Cl24 F2 Mo2 N6 -","2","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.168","0.0837","","","0.1576","0.1861","","","","","","1.064","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336751","11.1298","0.0009","18.6393","0.0017","19.7418","0.0017","117.464","0.003","94.76","0.004","90.755","0.004","3615.2","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","Mo(eta6-(3,5-Cl2C6H3)-kappa1-C-CNArClips)(CNArClips2)2","","","- C75 H60 Cl12 Mo N6 -","- C75 H60 Cl12 Mo N6 -","- C150 H120 Cl24 Mo2 N12 -","2","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.0571","0.0374","","","0.0775","0.0834","","","","","","1.042","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336752","13.439","0.0011","14.2602","0.0012","16.6204","0.0014","110.61","0.004","94.686","0.003","100.299","0.003","2896.9","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","MoCl2(CNArClips2)4","","","- C128 H104 Cl18 Mo N4 -","- C128 H104 Cl18 Mo N4 -","- C128 H104 Cl18 Mo N4 -","1","0.5","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.0494","0.0337","","","0.0792","0.086","","","","","","1.027","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336753","14.9326","0.0008","20.1177","0.0016","14.8086","0.001","90","","117.189","0.002","90","","3957.1","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,2'-di-tert-butyl-10,10'-dichloro-4,4'-bis(Clips)-6,6'-biphenanthridine","","","- C46 H34 Cl6 N2 -","- C46 H34 Cl6 N2 -","- C184 H136 Cl24 N8 -","4","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.0762","0.04","","","0.0829","0.0975","","","","","","1.019","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336754","21.8137","0.0003","22.2232","0.0004","29.0539","0.0005","90","","90","","90","","14084.5","0.4","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Mo(C10H8)(CNArDArF2)3","","","- C79 H35 F36 Mo N3 -","- C79 H35 F35.999 Mo N3 -","- C632 H280 F287.992 Mo8 N24 -","8","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","1.54178","CuKα","K-L~3~","0.0864","0.0503","","","0.1117","0.127","","","","","","1.016","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336755","14.3929","0.0009","23.181","0.002","20.4299","0.0013","90","","102.026","0.003","90","","6666.7","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mo(eta6-(3,5-(CF3)2C6H3)-kappa1-C-CNArDArF)(CNArDArF2)2","","","- C72 H34 F36 Mo N3 -","- C72 H34 F36 Mo N3 -","- C288 H136 F144 Mo4 N12 -","4","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.0777","0.0414","","","0.0799","0.0924","","","","","","1.004","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336756","16.5712","0.0013","23.656","0.002","35.706","0.003","90","","90","","90","","13997","2","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Mo(eta6-C6H6)(CNArDArF2)3","","","- C75 H33 F36 Mo N3 -","- C75 H33 F36.001 Mo N3 -","- C600 H264 F288.008 Mo8 N24 -","8","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.0662","0.0425","","","0.089","0.0976","","","","","","1.016","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336757","11.7056","0.0009","15.6512","0.0011","21.5669","0.0016","80.373","0.004","76.557","0.003","88.86","0.003","3788.1","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","Mo(MeCN)3(CNArDArF2)3","","","- C77 H39 F36 Mo N7 -","- C77 H39 F35.9999 Mo N7 -","- C154 H78 F71.9998 Mo2 N14 -","2","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","","","","","","","","","","","","","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336758","11.0785","0.0015","15.886","0.002","22.426","0.003","105.31","0.006","92.152","0.007","95.241","0.006","3783","0.9","100","","100","","","","","","","","","6","P -1","-P 1","2","fac-Mo(CO)3(CNArClips2)3","","","- C77 H63 Cl12 Mo N3 O3 -","- C77 H63 Cl12 Mo N3 O3 -","- C154 H126 Cl24 Mo2 N6 O6 -","2","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.0555","0.0392","","","0.0862","0.0929","","","","","","1.052","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336759","14.4864","0.0008","16.1022","0.001","18.171","0.001","90","","96.779","0.002","90","","4209","0.4","100","","100","","","","","","","","","7","P 1 n 1","P -2yac","7","mer-Mo(CO)3(CNArClips2)3","","","- C90 H66 Cl12 F3 Mo N3 O3 -","- C90 H66 Cl12 F3 Mo N3 O3 -","- C180 H132 Cl24 F6 Mo2 N6 O6 -","2","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.0417","0.0346","","","0.0766","0.0788","","","","","","1.033","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336760","26.1623","0.0018","16.5584","0.0011","31.99","0.002","90","","100.681","0.003","90","","13618.2","1.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","mer-Mo(CO)3(CNArDArF2)3","","","- C72 H27 F36 Mo N3 O3 -","- C72 H27 F36.0001 Mo N3 O3 -","- C576 H216 F288.001 Mo8 N24 O24 -","8","1","","Treffly B. Ditri; Alex E. Carpenter; Donald S. Ripatti; Curtis E. Moore; Arnold L. Rheingold; Joshua S. Figueroa","Chloro- and Trifluoromethyl-Substituted Flanking-Ring m-Terphenyl Isocyanides: η6-Arene Binding to Zero-Valent Molybdenum Centers and Comparison to Alkyl-Substituted Derivatives","Inorganic Chemistry","2013","52","","13216","13229","10.1021/ic402130p","","x-ray","0.71073","MoKα","K-L~3~","0.0679","0.0454","","","0.1228","0.1521","","","","","","1.073","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336761","13.2768","0.0004","11.2949","0.0004","13.6333","0.0006","90","","90","","90","","2044.45","0.13","123","1","123","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C5 H5 Br3 In N -","- C5 H5 Br3 In N -","- C40 H40 Br24 In8 N8 -","8","1","","Igor V. Kazakov; Michael Bodensteiner; Anna S. Lisovenko; Andrew V. Suvorov; Manfred Scheer; Gábor Balázs; Alexey Y. Timoshkin","Structures and Stability of Molecular InBr3Pyx (x= 1-3) Complexes: Unexpected Solid State Stabilization of Dimeric In2Br6Py4As Compared to Valence-Isoelectronic Group 15 and 17 Halogen Bridging Dimers","Inorganic Chemistry","2013","52","","13207","13215","10.1021/ic402162d","","x-ray","1.54178","","","0.0737","0.0726","","","0.1884","0.191","","","","","","1.082","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336762","14.6209","0.0004","15.5436","0.0005","25.623","0.0008","90","","90","","90","","5823.1","0.3","123","1","123","1","","","","","","","see text","5","F d d d :2","-F 2uv 2vw","70","","","","- C20 H20 Br6 In2 N4 -","- C20 H20 Br6 In2 N4 -","- C160 H160 Br48 In16 N32 -","8","0.25","","Igor V. Kazakov; Michael Bodensteiner; Anna S. Lisovenko; Andrew V. Suvorov; Manfred Scheer; Gábor Balázs; Alexey Y. Timoshkin","Structures and Stability of Molecular InBr3Pyx (x= 1-3) Complexes: Unexpected Solid State Stabilization of Dimeric In2Br6Py4As Compared to Valence-Isoelectronic Group 15 and 17 Halogen Bridging Dimers","Inorganic Chemistry","2013","52","","13207","13215","10.1021/ic402162d","","x-ray","1.54178","CuKα","","0.0405","0.0363","","","0.0984","0.1027","","","","","","1.179","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336763","9.3125","0.0001","15.0076","0.0002","13.4349","0.0002","90","","90","","90","","1877.64","0.04","123","1","123","1","","","","","","","see text","5","P b c n","-P 2n 2ab","60","","","","- C15 H15 Br3 In N3 -","- C15 H15 Br3 In N3 -","- C60 H60 Br12 In4 N12 -","4","0.5","","Igor V. Kazakov; Michael Bodensteiner; Anna S. Lisovenko; Andrew V. Suvorov; Manfred Scheer; Gábor Balázs; Alexey Y. Timoshkin","Structures and Stability of Molecular InBr3Pyx (x= 1-3) Complexes: Unexpected Solid State Stabilization of Dimeric In2Br6Py4As Compared to Valence-Isoelectronic Group 15 and 17 Halogen Bridging Dimers","Inorganic Chemistry","2013","52","","13207","13215","10.1021/ic402162d","","x-ray","1.54178","CuKα","","0.0171","0.0166","","","0.0435","0.0439","","","","","","0.95","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336764","5.402","0.0003","5.6323","0.0003","8.307","0.0004","71.756","0.005","78.314","0.005","81.092","0.005","233.93","0.02","123.05","0.1","123.05","0.1","","","","","","","","2","P -1","-P 1","2","","","","- Cl6 I2 -","- Cl6 I2 -","- Cl6 I2 -","1","0.5","","Igor V. Kazakov; Michael Bodensteiner; Anna S. Lisovenko; Andrew V. Suvorov; Manfred Scheer; Gábor Balázs; Alexey Y. Timoshkin","Structures and Stability of Molecular InBr3Pyx (x= 1-3) Complexes: Unexpected Solid State Stabilization of Dimeric In2Br6Py4As Compared to Valence-Isoelectronic Group 15 and 17 Halogen Bridging Dimers","Inorganic Chemistry","2013","52","","13207","13215","10.1021/ic402162d","","","0.71073","MoKα","","0.0267","0.0206","","","0.0365","0.0372","","","","","","0.972","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336765","30.758","0.0011","12.8141","0.0004","26.9293","0.0012","90","","120.784","0.003","90","","9118.4","0.7","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C100 H74 B4 F16 Fe4 N26 -","- C100 H74 B4 F16 Fe4 N26 -","- C400 H296 B16 F64 Fe16 N104 -","4","0.5","","Benjamin Schneider; Serhiy Demeshko; Sven Neudeck; Sebastian Dechert; Franc Meyer","Mixed-Spin [2 x 2] Fe4 Grid Complex Optimized for Quantum Cellular Automata","Inorganic Chemistry","2013","52","","13230","13237","10.1021/ic4021838","","","0.71073","MoKα","","0.1092","0.0564","","","0.0749","0.0843","","","","","","1.008","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336766","12.5087","","12.5087","","3.9143","","90","","90","","90","","612.461","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","Ba0.22TaO2.72","- Ba0.66 O8.16 Ta3 -","- Ba0.65565 O7.8137 Ta2.8137 -","- Ba2.6226 O31.2548 Ta11.2548 -","4","0.25","","Xiaojun Kuang; Fengjuan Pan; Jiang Cao; Chaolun Liang; Matthew R. Suchomel; Florence Porcher; Mathieu Allix","Defect Structure, Phase Separation, and Electrical Properties of Nonstoichiometric Tetragonal Tungsten Bronze Ba0.5-xTaO3-x","Inorganic Chemistry","2013","52","","13244","13252","10.1021/ic402188x","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336767","20.734","0.004","20.734","0.004","11.374","0.002","90","","90","","120","","4234.6","1.4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C24 H61 Cu7 O12 P6 S12 -","- C24 H61 Cu7 O12 P6 S12 -","- C72 H183 Cu21 O36 P18 S36 -","3","0.166667","","Camille Latouche; Samia Kahlal; Yan-Ru Lin; Jian-Hong Liao; Eric Furet; C. W. Liu; Jean-Yves Saillard","Anion Encapsulation and Geometric Changes in Hepta- and Hexanuclear Copper(I) Dichalcogeno Clusters: A Theoretical and Experimental Investigation","Inorganic Chemistry","2013","52","","13253","13262","10.1021/ic402207u","","","0.71073","MoKα","","0.0815","0.0663","","","0.1817","0.1968","","","","","","1.041","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336768","22.467","0.005","22.467","0.005","12.533","0.003","90","","90","","120","","5479","2","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C36 H84 Br Cu7 O12 P6 Se12 -","- C36 H84 Br Cu7 O12 P6 Se12 -","- C108 H252 Br3 Cu21 O36 P18 Se36 -","3","0.166667","","Camille Latouche; Samia Kahlal; Yan-Ru Lin; Jian-Hong Liao; Eric Furet; C. W. Liu; Jean-Yves Saillard","Anion Encapsulation and Geometric Changes in Hepta- and Hexanuclear Copper(I) Dichalcogeno Clusters: A Theoretical and Experimental Investigation","Inorganic Chemistry","2013","52","","13253","13262","10.1021/ic402207u","","","0.71073","MoKα","","0.0741","0.0499","","","0.1346","0.1533","","","","","","1.072","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336769","33.111","0.003","11.4104","0.001","15.919","0.0016","90","","102.243","0.003","90","","5877.6","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[CrCyclam(C2MeEDT-TTF)2][BF4]2(PhF)2(CH3CN)","","","- C46 H51 B2 Cr F10 N5 S12 -","- C46 H51 B2 Cr F10 N5 S12 -","- C184 H204 B8 Cr4 F40 N20 S48 -","4","0.5","","Junichi Nishijo; Masaya Enomoto","A Series of Weak Ferromagnets Based on a Chromium-Acetylide-TTF Type Complex: Correlation of the Structures and Magnetic Properties and Origin of the Weak Ferromagnetism","Inorganic Chemistry","2013","52","","13263","13268","10.1021/ic402217c","","","0.71073","MoKα","","0.087","0.0749","","","0.2305","0.2486","","","","","","1.11","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336770","33.087","0.003","11.5145","0.001","16.0359","0.0016","90","","102.178","0.003","90","","5971.9","1","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[CrCyclam(C2MeEDT-TTF)2][ClO4]2(PhF)2(CH3CN)","","","- C46 H51 Cl2 Cr F2 N5 O8 S12 -","- C46 H51 Cl2 Cr F2 N5 O8 S12 -","- C184 H204 Cl8 Cr4 F8 N20 O32 S48 -","4","0.5","","Junichi Nishijo; Masaya Enomoto","A Series of Weak Ferromagnets Based on a Chromium-Acetylide-TTF Type Complex: Correlation of the Structures and Magnetic Properties and Origin of the Weak Ferromagnetism","Inorganic Chemistry","2013","52","","13263","13268","10.1021/ic402217c","","","0.71073","MoKα","","0.0884","0.0762","","","0.2251","0.2435","","","","","","1.111","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336771","32.898","0.003","11.9855","0.0009","16.2103","0.0014","90","","103.822","0.002","90","","6206.6","0.9","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[CrCyclam(C2MeEDT-TTF)2][ClO4]2(PhBr)3","","","- C50 H53 Br3 Cl2 Cr N4 O8 S12 -","- C50 H53 Br3 Cl2 Cr N4 O8 S12 -","- C200 H212 Br12 Cl8 Cr4 N16 O32 S48 -","4","0.5","","Junichi Nishijo; Masaya Enomoto","A Series of Weak Ferromagnets Based on a Chromium-Acetylide-TTF Type Complex: Correlation of the Structures and Magnetic Properties and Origin of the Weak Ferromagnetism","Inorganic Chemistry","2013","52","","13263","13268","10.1021/ic402217c","","","0.71073","MoKα","","0.0786","0.0679","","","0.1935","0.2053","","","","","","1.118","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336772","32.9459","0.0067","12.0437","0.0022","16.3178","0.0033","90","","104.102","0.0041","90","","6280","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[CrCyclam(C2MeEDT-TTF)2][ClO4]2(PhI)3","","","- C50 H53 Cl2 Cr I3 N4 O8 S12 -","- C50 H53 Cl2 Cr I3 N4 O8 S12 -","- C200 H212 Cl8 Cr4 I12 N16 O32 S48 -","4","0.5","","Junichi Nishijo; Masaya Enomoto","A Series of Weak Ferromagnets Based on a Chromium-Acetylide-TTF Type Complex: Correlation of the Structures and Magnetic Properties and Origin of the Weak Ferromagnetism","Inorganic Chemistry","2013","52","","13263","13268","10.1021/ic402217c","","","0.71073","MoKα","","0.103","0.0972","","","0.2697","0.2785","","","","","","1.207","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336773","32.9055","0.0071","12.1918","0.0022","16.3414","0.0035","90","","103.415","0.0062","90","","6377","2","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[CrCyclam(C2MeEDT-TTF)2][ReO4]2(PhCl)2(MeCN)","","","- C46 H51 Cl2 Cr N5 O8 Re2 S12 -","- C46 H51 Cl2 Cr N5 O8 Re2 S12 -","- C184 H204 Cl8 Cr4 N20 O32 Re8 S48 -","4","0.5","","Junichi Nishijo; Masaya Enomoto","A Series of Weak Ferromagnets Based on a Chromium-Acetylide-TTF Type Complex: Correlation of the Structures and Magnetic Properties and Origin of the Weak Ferromagnetism","Inorganic Chemistry","2013","52","","13263","13268","10.1021/ic402217c","","","0.71073","MoKα","","0.1071","0.0837","","","0.2228","0.2589","","","","","","1.026","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336774","32.9818","0.0023","12.3182","0.0008","16.4384","0.0011","90","","103.756","0.0019","90","","6487","0.8","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","[CrCyclam(C2MeEDT-TTF)2][ReO4]2(PhBr)3","","","- C50 H53 Br3 Cr N4 O8 Re2 S12 -","- C50 H53 Br3 Cr N4 O8 Re2 S12 -","- C200 H212 Br12 Cr4 N16 O32 Re8 S48 -","4","0.5","","Junichi Nishijo; Masaya Enomoto","A Series of Weak Ferromagnets Based on a Chromium-Acetylide-TTF Type Complex: Correlation of the Structures and Magnetic Properties and Origin of the Weak Ferromagnetism","Inorganic Chemistry","2013","52","","13263","13268","10.1021/ic402217c","","","0.71073","MoKα","","0.0705","0.0594","","","0.1699","0.1918","","","","","","1.143","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336775","5.57973","0.00002","5.57973","0.00002","13.87208","0.00004","90","","90","","120","","374.023","0.002","295","","295","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","bismuth ferrite","","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi6 Fe6 O18 -","6","0.333333","","Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa","Crystal and Magnetic Structure in Co-Substituted BiFeO3","Inorganic Chemistry","2013","52","","13269","13277","10.1021/ic402427q","powder diffraction","neutron","","TOFNeutronDiffraction","","","","","","","","","5.7481","","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336776","5.57174","0.00002","5.57174","0.00002","13.83512","0.00004","90","","90","","120","","371.959","0.002","10","","10","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","bismuth ferrite","","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi6 Fe6 O18 -","6","0.333333","","Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa","Crystal and Magnetic Structure in Co-Substituted BiFeO3","Inorganic Chemistry","2013","52","","13269","13277","10.1021/ic402427q","powder diffraction","neutron","","TOFNeutronDiffraction","","","","","","","","","5.7481","","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336777","5.55507","0.00002","5.55507","0.00002","13.77001","0.00004","90","","90","","120","","367.997","0.002","295","","295","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Co-doped bismuth ferrite","","","- Bi Co0.2 Fe0.8 O3 -","- Bi Co0.2 Fe0.8 O3 -","- Bi6 Co1.2 Fe4.8 O18 -","6","0.333333","","Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa","Crystal and Magnetic Structure in Co-Substituted BiFeO3","Inorganic Chemistry","2013","52","","13269","13277","10.1021/ic402427q","powder diffraction","neutron","","TOFNeutronDiffraction","","","","","","","","","5.7481","","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336778","5.54216","0.00002","5.54216","0.00002","13.71829","0.00004","90","","90","","120","","364.912","0.002","10","","10","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","Bismuth ferrite","","","- Bi Fe O3 -","- Bi Co0.2 Fe O3 -","- Bi6 Co1.2 Fe6 O18 -","6","0.333333","","Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa","Crystal and Magnetic Structure in Co-Substituted BiFeO3","Inorganic Chemistry","2013","52","","13269","13277","10.1021/ic402427q","powder diffraction","neutron","","TOFNeutronDiffraction","","","","","","","","","5.7481","","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336779","5.33416","0.00007","5.33424","0.00007","4.70269","0.00003","90","","90.0935","0.0009","90","","133.809","0.003","573","","573","","","","","","","","","4","C 1 m 1","C -2y","8","Co doped 'bismuth ferrite","","","- Bi Co0.2 Fe0.8 O3 -","- Bi Co0.2 Fe0.8 O3 -","- Bi2 Co0.4 Fe1.6 O6 -","2","0.5","","Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa","Crystal and Magnetic Structure in Co-Substituted BiFeO3","Inorganic Chemistry","2013","52","","13269","13277","10.1021/ic402427q","powder diffraction","neutron","","TOFNeutronDiffraction","","","","","","","","","7.3079","","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336780","5.179","0.004","7.814","0.006","8.108","0.006","62.793","0.006","73.836","0.007","85.241","0.007","279.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Holmium copper tellurite sulfate","","","- Cu Ho2 O14 S2 Te2 -","- Cu Ho2 O14 S2 Te2 -","- Cu Ho2 O14 S2 Te2 -","1","0.5","","Jian Lin; Kariem Diefenbach; Justin N. Cross; Jean-Marie Babo; Thomas E. Albrecht-Schmitt","Thermochromism, the Alexandrite Effect, and Dynamic Jahn-Teller Distortions in Ho2Cu(TeO3)2(SO4)2","Inorganic Chemistry","2013","52","","13278","13281","10.1021/ic402432q","","","0.71073","MoKα","","0.0206","0.0204","","","0.0517","0.0519","","","","","","1.105","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336781","5.1602","0.0016","7.799","0.002","8.095","0.003","62.604","0.002","73.937","0.003","85.21","0.003","277.58","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Holmium copper tellurite sulfate","","","- Cu Ho2 O14 S2 Te2 -","- Cu Ho2 O14 S2 Te2 -","- Cu Ho2 O14 S2 Te2 -","1","0.5","","Jian Lin; Kariem Diefenbach; Justin N. Cross; Jean-Marie Babo; Thomas E. Albrecht-Schmitt","Thermochromism, the Alexandrite Effect, and Dynamic Jahn-Teller Distortions in Ho2Cu(TeO3)2(SO4)2","Inorganic Chemistry","2013","52","","13278","13281","10.1021/ic402432q","","","0.71073","MoKα","","0.0208","0.0201","","","0.0494","0.0497","","","","","","1.079","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336782","16.4379","0.0015","17.5125","0.0015","33.949","0.003","90","","90","","90","","9772.9","1.5","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C36 H78 Cl2 Co2 F12.01 N6 P2 -","- C36 H78 Cl2 Co2 F12.012 N6 P2.002 -","- C288 H624 Cl16 Co16 F96.096 N48 P16.016 -","8","1","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.0731","0.0477","","","0.1127","0.1269","","","","","","1.022","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336783","9.0174","0.0006","26.739","0.002","10.7582","0.0008","90","","92.39","0.006","90","","2591.7","0.3","110.2","","110.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 Cu F6 N4 P -","- C20 H42 Cu F6 N4 P -","- C80 H168 Cu4 F24 N16 P4 -","4","1","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.2011","0.0794","","","0.1415","0.1829","","","","","","0.968","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336784","11.036","0.002","15.393","0.003","14.484","0.003","90","","95.491","0.002","90","","2449.2","0.8","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Br F6 N3 Ni P -","- C18 H39 Br F6 N3 Ni P -","- C72 H156 Br4 F24 N12 Ni4 P4 -","4","1","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.0631","0.0429","","","0.1061","0.1144","","","","","","1.046","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336785","20.0457","0.0019","20.16","0.002","21.249","0.002","71.5257","0.0014","86.7503","0.0014","81.4313","0.0014","8053.3","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H60.5 B Fe I N3.5 -","- C43 H60.5 B Fe I N3.5 -","- C344 H484 B8 Fe8 I8 N28 -","8","4","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.0998","0.0531","","","0.1311","0.1585","","","","","","1.02","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4336786","14.0646","0.0018","16.376","0.002","18.303","0.002","90","","90.705","0.002","90","","4215.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H61 B Cl3 Mn N3 -","- C43 H61 B Cl3 Mn N3 -","- C172 H244 B4 Cl12 Mn4 N12 -","4","1","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.0772","0.0587","","","0.1603","0.1762","","","","","","1.036","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336787","6.2017","0.0004","11.5208","0.0007","27.352","0.002","90","","95.263","0.004","90","","1946","0.2","173.2","","173.2","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H39 N3 -","- C18 H39 N3 -","- C72 H156 N12 -","4","1","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.0667","0.0542","","","0.1392","0.1499","","","","","","1.024","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336788","17.088","0.002","11.3123","0.0015","19.06","0.002","90","","122.742","0.001","90","","3099","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Cr F6 N4 O6 S2 -","- C21.9999 H42 Cr F5.9997 N4 O5.9997 S1.9999 -","- C87.9996 H168 Cr4 F23.9988 N16 O23.9988 S7.9996 -","4","1","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.2519","0.1001","","","0.2426","0.3273","","","","","","0.979","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336789","6.4427","0.0004","19.0061","0.0011","24.0937","0.0015","90","","94.281","0.001","90","","2942.1","0.3","100","2","100.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H57 N3 -","- C36 H57 N3 -","- C144 H228 N12 -","4","1","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.0631","0.0515","","","0.1298","0.14","","","","","","1.047","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336790","14.6639","0.0017","15.5299","0.0017","20.376","0.002","90","","91.378","0.002","90","","4638.9","0.9","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H66 Cl6 Cu F6 N4 P -","- C38 H60 Cu F5.982 N4 P0.997 -","- C152 H240 Cu4 F23.928 N16 P3.988 -","4","1","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.065","0.0481","","","0.1234","0.1331","","","","","","1.028","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336791","18.4655","0.0011","11.4588","0.0007","17.9216","0.0011","90","","90.146","0.001","90","","3792.1","0.4","110","2","110","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C42 H59 B Cl Co N3 -","- C42 H59 B Cl Co N3 -","- C168 H236 B4 Cl4 Co4 N12 -","4","2","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.0541","0.0474","","","0.1131","0.1172","","","","","","1.017","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336792","18.435","0.0016","11.4849","0.001","17.9159","0.0016","90","","90.22","0.001","90","","3793.2","0.6","109.01","","109.01","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C42 H59 B Br N3 Ni -","- C42 H59 B Br N3 Ni -","- C168 H236 B4 Br4 N12 Ni4 -","4","2","","Arumugam Thangavel; Marika Wieliczko; John Bacsa; Christopher C. Scarborough","1,4,7-Triazacyclononane Ligands Bearing Tertiary Alkyl Nitrogen Substituents","Inorganic Chemistry","2013","52","","13282","13287","10.1021/ic402626p","","","0.71073","MoKα","","0.079","0.0527","","","0.0947","0.1043","","","","","","0.966","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4336793","11.237","0.002","11.403","0.002","13.334","0.002","70.554","0.009","66.281","0.009","87.391","0.01","1467.3","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","michael091","michael091","","- C48 H70 F12 Fe2 N10 O4 P2 -","- C48 H70 F12 Fe2 N10 O4 P2 -","- C48 H70 F12 Fe2 N10 O4 P2 -","1","0.5","","Michael K. Coggins; Santiago Toledo; Julie A. Kovacs","Isolation and Characterization of a Dihydroxo-Bridged Iron(III,III)(μ-OH)2 Diamond Core Derived from Dioxygen","Inorganic Chemistry","2013","52","","13325","13331","10.1021/ic4010906","","","0.71073","MoKα","","0.0608","0.0366","","","0.0708","0.0796","","","","","","1.007","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336794","15.909","0.0011","17.1316","0.0012","17.661","0.0013","90","","90","","90","","4813.4","0.6","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Santiago11","Santiago11","","- C21 H29 F6 Fe N4 O P -","- C21 H29 F6 Fe N4 O P -","- C168 H232 F48 Fe8 N32 O8 P8 -","8","1","","Michael K. Coggins; Santiago Toledo; Julie A. Kovacs","Isolation and Characterization of a Dihydroxo-Bridged Iron(III,III)(μ-OH)2 Diamond Core Derived from Dioxygen","Inorganic Chemistry","2013","52","","13325","13331","10.1021/ic4010906","","","0.71073","MoKα","","0.1772","0.0592","","","0.1154","0.1548","","","","","","0.928","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336795","22.8555","0.0005","26.3764","0.0006","31.4562","0.0007","90","","101.61","0.002","90","","18575.3","0.7","291","2","291.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C146 H150 Eu9 O62 -","- C146 H150 Eu9 O62 -","- C584 H600 Eu36 O248 -","4","1","","Bin Zhang; Ting Xiao; Chunmei Liu; Qian Li; Yanyan Zhu; Mingsheng Tang; Chenxia Du; Maoping Song","Systematic Study of the Luminescent Europium-Based Nonanuclear Clusters with Modified 2-Hydroxybenzophenone Ligands","Inorganic Chemistry","2013","52","","13332","13340","10.1021/ic401191e","","","0.7107","MoKα","","0.059","0.0392","","","0.0981","0.1067","","","","","","0.994","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336796","27.2191","0.0005","28.535","0.0004","36.3189","0.0006","90","","107.086","0.0018","90","","26963.8","0.8","291","2","291.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C112 H88 Eu4.5 O29 -","- C112 H88 Eu4.5 O29 -","- C896 H704 Eu36 O232 -","8","1","","Bin Zhang; Ting Xiao; Chunmei Liu; Qian Li; Yanyan Zhu; Mingsheng Tang; Chenxia Du; Maoping Song","Systematic Study of the Luminescent Europium-Based Nonanuclear Clusters with Modified 2-Hydroxybenzophenone Ligands","Inorganic Chemistry","2013","52","","13332","13340","10.1021/ic401191e","","","0.7107","MoKα","","0.0549","0.0356","","","0.0953","0.1017","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336797","19.265","0.003","19.265","0.003","31.373","0.006","90","","90","","90","","11644","3","291","2","291.15","","","","","","","","","4","I 4 2 2","I 4 2","97","","","","- C240 H208 Eu9 O58 -","- C240 H208 Eu9 O58 -","- C480 H416 Eu18 O116 -","2","0.125","","Bin Zhang; Ting Xiao; Chunmei Liu; Qian Li; Yanyan Zhu; Mingsheng Tang; Chenxia Du; Maoping Song","Systematic Study of the Luminescent Europium-Based Nonanuclear Clusters with Modified 2-Hydroxybenzophenone Ligands","Inorganic Chemistry","2013","52","","13332","13340","10.1021/ic401191e","","","0.71073","MoKα","","0.0643","0.0441","","","0.0851","0.0933","","","","","","0.998","","","","has coordinates,has disorder","179470","2020-10-21","18:00:00",""
"4336798","26.3718","0.0003","26.3718","0.0003","36.6258","0.0006","90","","90","","90","","25472.2","0.6","291","2","291.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C112 H80 Eu4.5 F8 O21 -","- C112 H80 Eu4.5 F8 O21 -","- C896 H640 Eu36 F64 O168 -","8","1","","Bin Zhang; Ting Xiao; Chunmei Liu; Qian Li; Yanyan Zhu; Mingsheng Tang; Chenxia Du; Maoping Song","Systematic Study of the Luminescent Europium-Based Nonanuclear Clusters with Modified 2-Hydroxybenzophenone Ligands","Inorganic Chemistry","2013","52","","13332","13340","10.1021/ic401191e","","","0.71073","MoKα","","0.0608","0.0414","","","0.0805","0.0875","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336799","9.0339","0.0001","3.68751","0.00005","11.5385","0.0002","90","","90","","90","","384.377","0.009","","","298","","","","101","","","","","4","P n m a","-P 2ac 2n","62","","Manganese(II) chloride monohydrate","","- Cl2 H2 Mn O -","- Cl2 H2 Mn O -","- Cl8 H8 Mn4 O4 -","4","0.5","","S. Pagola; K. T. Trowell; K. C. Havas; Z. D. Reed; D. G. Chan; M. J. Van Dongen; G. C. DeFotis","Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior","Inorganic Chemistry","2013","52","","13341","13350","10.1021/ic4013075","powder diffraction","","0.699204","synchrotron","","","","","","","","","","1.13","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4336800","8.8207","0.0003","3.5435","0.0001","11.2944","0.0004","90","","90","","90","","353.02","0.02","","","298","","","","101","","","","","4","P n m a","-P 2ac 2n","62","","Cobalt(II) chloride monohydrate","","- Cl2 Co H2 O -","- Cl2 Co H2 O -","- Cl8 Co4 H8 O4 -","4","0.5","","S. Pagola; K. T. Trowell; K. C. Havas; Z. D. Reed; D. G. Chan; M. J. Van Dongen; G. C. DeFotis","Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior","Inorganic Chemistry","2013","52","","13341","13350","10.1021/ic4013075","powder diffraction","x-ray","0.699204","synchrotron","","","","","","","","","","1.11","","","","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336801","9.0345","0.0002","3.68721","0.00008","11.5356","0.0003","90","","90","","90","","384.275","0.016","","","298","","","","101","","","","","4","P n m a","-P 2ac 2n","62","","Manganese(II) chloride deuterated monohydrate","","- Cl2 D2 Mn O -","- Cl2 D2 Mn O -","- Cl8 D8 Mn4 O4 -","4","0.5","","S. Pagola; K. T. Trowell; K. C. Havas; Z. D. Reed; D. G. Chan; M. J. Van Dongen; G. C. DeFotis","Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior","Inorganic Chemistry","2013","52","","13341","13350","10.1021/ic4013075","powder diffraction","x-ray","0.700095","synchrotron","","","","","","","","","","1.1","","","","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336802","8.8258","0.0002","3.5446","0.0001","11.2998","0.0004","90","","90","","90","","353.502","0.018","","","298","","","","101","","","","","4","P n m a","-P 2ac 2n","62","","Cobalt(II) chloride deuterated monohydrate","","- Cl2 Co D2 O -","- Cl2 Co D2 O -","- Cl8 Co4 D8 O4 -","4","0.5","","S. Pagola; K. T. Trowell; K. C. Havas; Z. D. Reed; D. G. Chan; M. J. Van Dongen; G. C. DeFotis","Crystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior","Inorganic Chemistry","2013","52","","13341","13350","10.1021/ic4013075","powder diffraction","x-ray","0.700095","synchrotron","","","","","","","","","","1.17","","","","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336803","4.0412","0.0003","4.0412","0.0003","8.9863","0.0007","90","","90","","90","","146.758","0.019","","","300","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","Lanthanum chromium oxyarsenide","","LaCrAsO","- As Cr La O -","- As Cr La O -","- As2 Cr2 La2 O2 -","2","0.125","","Sang-Won Park; Hiroshi Mizoguchi; Katsuaki Kodama; Shin-ichi Shamoto; Toshiya Otomo; Satoru Matsuishi; Toshio Kamiya; Hideo Hosono","Magnetic Structure and Electromagnetic Properties of LnCrAsO with a ZrCuSiAs-type Structure (Ln = La, Ce, Pr, and Nd)","Inorganic Chemistry","2013","52","","13363","13368","10.1021/ic401487q","","x-ray","1.5413","CuKα","","","","","","","","","","","","","","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336804","3.97","0.00007","3.97","0.00007","8.876","0.0003","90","","90","","90","","139.894","0.006","","","300","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","Neodymium chromium oxyarsenide","","NdCrAsO","- As Cr Nd O -","- As Cr Nd O -","- As2 Cr2 Nd2 O2 -","2","0.125","","Sang-Won Park; Hiroshi Mizoguchi; Katsuaki Kodama; Shin-ichi Shamoto; Toshiya Otomo; Satoru Matsuishi; Toshio Kamiya; Hideo Hosono","Magnetic Structure and Electromagnetic Properties of LnCrAsO with a ZrCuSiAs-type Structure (Ln = La, Ce, Pr, and Nd)","Inorganic Chemistry","2013","52","","13363","13368","10.1021/ic401487q","","x-ray","1.5413","CuKα","","","","","","","","","","","","","","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336805","7.4016","0.0003","12.7813","0.0014","13.598","0.0012","90","","90","","90","","1286.4","0.19","173.05","0.1","173.05","0.1","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C6 H8 Fe Gd N6 O4 -","- C6 H8 Fe Gd N6 O4 -","- C24 H32 Fe4 Gd4 N24 O16 -","4","0.25","","Marine Perrier; Samir Kenouche; Jêrôme Long; Kalaivani Thangavel; Joulia Larionova; Christophe Goze-Bac; Alessandro Lascialfari; Manuel Mariani; Nathalie Baril; Christian Guérin; Bruno Donnadieu; Alexander Trifonov; Yannick Guari","Investigation on NMR Relaxivity of Nano-Sized Cyano-Bridged Coordination Polymers","Inorganic Chemistry","2013","52","","13402","13414","10.1021/ic401710j","","","0.71073","MoKα","","0.0179","0.0164","","","0.0364","0.0367","","","","","","1.134","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336806","15.704","0.002","22.666","0.003","24.826","0.004","90","","90","","90","","8837","2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","difluoromethylcobalamin","","- C72.5 H121.25 Co F2 N13 O25.5 P -","- C72.6 H121.2 Co F2 N13 O25.4 P -","- C290.4 H484.8 Co4 F8 N52 O101.6 P4 -","4","1","","Lucio Randaccio; Giovanna Brancatelli; Nicola Demitri; Renata Dreos; Neal Hickey; Patrizia Siega; Silvano Geremia","Trans and Cis Effects of Axial Fluoroalkyl Ligands in Vitamin B12 Analogues: Relationship between Alkyl- and Fluoroalkyl-Cobalamins","Inorganic Chemistry","2013","52","","13392","13401","10.1021/ic401715e","","","0.6","","","0.067","0.0615","","","0.1735","0.1784","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336807","15.56","0.0003","22.59","0.0008","24.97","0.0007","90","","90","","90","","8777","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","trifluoromethyl-cobalamine","","- C67.46 H97 Co F2.79 I0.07 N13 O23.85 P -","- C67.43 H95 Co F2.79 I0.07 N13 O23.85 P -","- C269.72 H380 Co4 F11.16 I0.28 N52 O95.4 P4 -","4","1","","Lucio Randaccio; Giovanna Brancatelli; Nicola Demitri; Renata Dreos; Neal Hickey; Patrizia Siega; Silvano Geremia","Trans and Cis Effects of Axial Fluoroalkyl Ligands in Vitamin B12 Analogues: Relationship between Alkyl- and Fluoroalkyl-Cobalamins","Inorganic Chemistry","2013","52","","13392","13401","10.1021/ic401715e","","","0.7","","","0.0761","0.0702","","","0.1823","0.1876","","","","","","1.033","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336808","15.75","0.01","22.26","0.01","25.99","0.02","90","","90","","90","","9112","10","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","trifluoroethylcobalamin","","- C65 H94 Co F3 N13 O28 P -","- C65 H94 Co F3 N13 O27.9 P -","- C260 H376 Co4 F12 N52 O111.6 P4 -","4","1","","Lucio Randaccio; Giovanna Brancatelli; Nicola Demitri; Renata Dreos; Neal Hickey; Patrizia Siega; Silvano Geremia","Trans and Cis Effects of Axial Fluoroalkyl Ligands in Vitamin B12 Analogues: Relationship between Alkyl- and Fluoroalkyl-Cobalamins","Inorganic Chemistry","2013","52","","13392","13401","10.1021/ic401715e","","","0.77491","","","0.096","0.0935","","","0.25","0.2563","","","","","","1.152","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336809","9.7395","0.0017","12.331","0.002","13.941","0.002","81.179","0.003","74.117","0.003","74.118","0.003","1543.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 Ge2 N4 O -","- C30 H46 Ge2 N4 O -","- C60 H92 Ge4 N8 O2 -","2","1","","Rahul Kumar Siwatch; Dhirendra Yadav; Goutam Mukherjee; Gopalan Rajaraman; Selvarajan Nagendran","Digermylene Oxide Complexes: Facile Synthesis and Reactivity","Inorganic Chemistry","2013","52","","13384","13391","10.1021/ic401720e","","","0.71073","MoKα","","0.0536","0.0404","","","0.1112","0.1273","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336810","10.922","0.004","13.899","0.005","21.348","0.008","90","","90","","90","","3241","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H46 Ge2 N4 O -","- C30 H46 Ge2 N4 O -","- C120 H184 Ge8 N16 O4 -","4","1","","Rahul Kumar Siwatch; Dhirendra Yadav; Goutam Mukherjee; Gopalan Rajaraman; Selvarajan Nagendran","Digermylene Oxide Complexes: Facile Synthesis and Reactivity","Inorganic Chemistry","2013","52","","13384","13391","10.1021/ic401720e","","","0.71073","MoKα","","0.133","0.0656","","","0.1217","0.1418","","","","","","0.938","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336811","25.865","0.005","27.754","0.005","9.2716","0.0017","90","","90","","90","","6656","2","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H46 Ge2 N4 O S2 -","- C30 H46 Ge2 N4 O S2 -","- C240 H368 Ge16 N32 O8 S16 -","8","0.5","","Rahul Kumar Siwatch; Dhirendra Yadav; Goutam Mukherjee; Gopalan Rajaraman; Selvarajan Nagendran","Digermylene Oxide Complexes: Facile Synthesis and Reactivity","Inorganic Chemistry","2013","52","","13384","13391","10.1021/ic401720e","","","0.71073","MoKα","","0.0437","0.0397","","","0.0847","0.0864","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336812","26.138","0.006","27.882","0.006","9.316","0.002","90","","90","","90","","6789","3","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H46 Ge2 N4 O Se2 -","- C30 H46 Ge2 N4 O Se2 -","- C240 H368 Ge16 N32 O8 Se16 -","8","0.5","","Rahul Kumar Siwatch; Dhirendra Yadav; Goutam Mukherjee; Gopalan Rajaraman; Selvarajan Nagendran","Digermylene Oxide Complexes: Facile Synthesis and Reactivity","Inorganic Chemistry","2013","52","","13384","13391","10.1021/ic401720e","","","0.71073","MoKα","","0.0385","0.0331","","","0.0696","0.072","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336813","10.791","0.002","13.505","0.003","14.913","0.002","101.14","0.01","105.14","0.02","108.55","0.02","1896.1","0.7","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H47 N2 O3 S2 V -","- C40 H47 N2 O3 S2 V -","- C80 H94 N4 O6 S4 V2 -","2","1","","Nikita Hall; Maylis Orio; Adeline Jorge-Robin; Béatrice Gennaro; Caroline Marchi-Delapierre; Carole Duboc","Vanadium Thiolate Complexes for Efficient and Selective Sulfoxidation Catalysis: A Mechanistic Investigation","Inorganic Chemistry","2013","52","","13424","13431","10.1021/ic4017504","","","0.7107","MoKα","","0.0944","0.0488","","","0.1098","0.1363","","","","","","1.087","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336814","9.48681","0.00016","16.4667","0.0003","15.8574","0.0003","90","","106.811","0.0017","90","","2371.33","0.08","110","0.1","110","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52 H55 B F4 Ir N4 P -","- C52 H55 B F4 Ir N4 P -","- C104 H110 B2 F8 Ir2 N8 P2 -","2","1","","Marianna Fekete; Oliver Bayfield; Simon B. Duckett; Sam Hart; Ryan E. Mewis; Natalie Pridmore; Peter J. Rayner; Adrian Whitwood","Iridium(III) Hydrido N-Heterocyclic Carbene-Phosphine Complexes as Catalysts in Magnetization Transfer Reactions","Inorganic Chemistry","2013","52","","13453","13461","10.1021/ic401783c","","","0.7107","MoKα","","0.0378","0.0324","","","0.0747","0.078","","","","","","1.032","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336815","11.3239","0.0002","11.5474","0.0006","19.0446","0.0007","72.929","0.004","74.479","0.003","67.697","0.004","2167.88","0.16","110","0.1","110","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C43 H63 B F4 Ir N4 P -","- C43 H63 B F4 Ir N4 P -","- C86 H126 B2 F8 Ir2 N8 P2 -","2","1","","Marianna Fekete; Oliver Bayfield; Simon B. Duckett; Sam Hart; Ryan E. Mewis; Natalie Pridmore; Peter J. Rayner; Adrian Whitwood","Iridium(III) Hydrido N-Heterocyclic Carbene-Phosphine Complexes as Catalysts in Magnetization Transfer Reactions","Inorganic Chemistry","2013","52","","13453","13461","10.1021/ic401783c","","","0.7107","MoKα","","0.0424","0.035","","","0.0704","0.0737","","","","","","1.053","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336816","16.048","0.003","16.026","0.003","17.851","0.003","90","","123.639","0.003","90","","3822.2","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Cl2 N2 O6 -","- C43 H38 Cl2 N2 O6 -","- C172 H152 Cl8 N8 O24 -","4","1","","Chunyan Wang; Keith Man-Chung Wong","Selective Hg2+ Sensing Behaviors of Rhodamine Derivatives with Extended Conjugation Based on Two Successive Ring-Opening Processes","Inorganic Chemistry","2013","52","","13432","13441","10.1021/ic401810x","","","0.71073","MoKα","","0.1646","0.095","","","0.2881","0.3338","","","","","","1.045","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336817","8.941","0.0008","14.711","0.0013","17.4371","0.0016","73.616","0.001","89.426","0.001","78.606","0.001","2154.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N6 O5 -","- C46 H50 N6 O5 -","- C92 H100 N12 O10 -","2","1","","Chunyan Wang; Keith Man-Chung Wong","Selective Hg2+ Sensing Behaviors of Rhodamine Derivatives with Extended Conjugation Based on Two Successive Ring-Opening Processes","Inorganic Chemistry","2013","52","","13432","13441","10.1021/ic401810x","","","0.71073","MoKα","","0.1385","0.0714","","","0.2065","0.2472","","","","","","1.032","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336818","14.8537","0.001","19.568","0.0013","12.1682","0.0008","90","","90","","90","","3536.8","0.4","305","2","305","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C42 H36 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","0.5","","Chunyan Wang; Keith Man-Chung Wong","Selective Hg2+ Sensing Behaviors of Rhodamine Derivatives with Extended Conjugation Based on Two Successive Ring-Opening Processes","Inorganic Chemistry","2013","52","","13432","13441","10.1021/ic401810x","","","0.71073","MoKα","","0.1084","0.0596","","","0.1472","0.1759","","","","","","1.015","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336819","20.534","0.004","11.363","0.002","21.14","0.005","90","","97.541","0.004","90","","4889.9","1.7","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 N6 O4 -","- C42 H40 N6 O4 -","- C168 H160 N24 O16 -","4","1","","Chunyan Wang; Keith Man-Chung Wong","Selective Hg2+ Sensing Behaviors of Rhodamine Derivatives with Extended Conjugation Based on Two Successive Ring-Opening Processes","Inorganic Chemistry","2013","52","","13432","13441","10.1021/ic401810x","","","","","","0.158","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336820","9.5132","0.0009","12.5144","0.0013","17.8254","0.0018","90","","101.734","0.016","90","","2077.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ni(L)(H2O)3]I2(H2O)","","","- C13 H27 I2 N3 Ni O5 -","- C13 H27 I2 N3 Ni O5 -","- C52 H108 I8 N12 Ni4 O20 -","4","1","","Jaydeep Adhikary; Prateeti Chakraborty; Sudhanshu Das; Tanmay Chattopadhyay; Antonio Bauzá; Shyamal Kumar Chattopadhyay; Bipinbihari Ghosh; Franz A. Mautner; Antonio Frontera; Debasis Das","A Combined Experimental and Theoretical Investigation on the Role of Halide Ligands on the Catecholase-like Activity of Mononuclear Nickel(II) Complexes with a Phenol-Based Tridentate Ligand","Inorganic Chemistry","2013","52","","13442","13452","10.1021/ic401819t","","","0.71073","MoKα","","0.0392","0.0362","","","0.0769","0.0781","","","","","","1.186","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336821","9.4906","0.0009","15.708","0.0014","13.797","0.0013","90","","109.536","0.014","90","","1938.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(L)(H2O)3]Br2.H2O","","","- C13 H27 Br2 N3 Ni O5 -","- C13 H27 Br2 N3 Ni O5 -","- C52 H108 Br8 N12 Ni4 O20 -","4","1","","Jaydeep Adhikary; Prateeti Chakraborty; Sudhanshu Das; Tanmay Chattopadhyay; Antonio Bauzá; Shyamal Kumar Chattopadhyay; Bipinbihari Ghosh; Franz A. Mautner; Antonio Frontera; Debasis Das","A Combined Experimental and Theoretical Investigation on the Role of Halide Ligands on the Catecholase-like Activity of Mononuclear Nickel(II) Complexes with a Phenol-Based Tridentate Ligand","Inorganic Chemistry","2013","52","","13442","13452","10.1021/ic401819t","","","0.71073","MoKα","","0.0284","0.0239","","","0.0588","0.0605","","","","","","1.034","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336822","9.5733","0.0009","15.4155","0.0014","13.9557","0.0012","90","","109.816","0.014","90","","1937.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ni(L)(H2O)3]Cl2.2H2O","","","- C13 H29 Cl2 N3 Ni O6 -","- C13 H29 Cl2 N3 Ni O6 -","- C52 H116 Cl8 N12 Ni4 O24 -","4","1","","Jaydeep Adhikary; Prateeti Chakraborty; Sudhanshu Das; Tanmay Chattopadhyay; Antonio Bauzá; Shyamal Kumar Chattopadhyay; Bipinbihari Ghosh; Franz A. Mautner; Antonio Frontera; Debasis Das","A Combined Experimental and Theoretical Investigation on the Role of Halide Ligands on the Catecholase-like Activity of Mononuclear Nickel(II) Complexes with a Phenol-Based Tridentate Ligand","Inorganic Chemistry","2013","52","","13442","13452","10.1021/ic401819t","","","0.71073","MoKα","","0.0274","0.0261","","","0.067","0.0679","","","","","","1.078","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336823","9.225","0.0017","12.8799","0.0033","5.492","0.0015","90","","90.725","0.017","90","","652.5","0.3","","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H2 Co3 O10 -","- C8 H2 Co3 O10 -","- C16 H4 Co6 O20 -","2","0.25","","Richard A. Mole; Muhammad A. Nadeem; John A. Stride; Vanessa K. Peterson; Paul T. Wood","Switchable Magnetism: Neutron Diffraction Studies of the Desolvated Coordination Polymer Co3(OH)2(C4O4)2","Inorganic Chemistry","2013","52","","13462","13468","10.1021/ic4018344","powder diffraction","neutron","2.95891","","","","","","","","","0.17758","","3.01","","","","","","","has coordinates,has Fobs","179471","2020-10-21","18:00:00",""
"4336824","5.3835","","8.6104","","13.9295","","90","","112.139","","90","","598.085","","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ho La O7 Si2 -","- Ho La O7 Si2 -","- Ho4 La4 O28 Si8 -","4","1","","Alberto J. Fernández-Carrión; Mathieu Allix; Manuel Ocaña; Jorge García-Sevillano; Fernando Cusso; Andrew N. Fitch; Emmanuelle Suard; Ana I. Becerro","Crystal Structures and Photoluminescence across the La2Si2O7-Ho2Si2O7 System","Inorganic Chemistry","2013","52","","13469","13479","10.1021/ic401867c","powder diffraction","x-ray","0.3542","","","0.0163","0.0162","","0.0193","0.0193","","","","0.87","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4336825","13.7482","0.0004","5.03162","0.00015","8.2123","0.0003","90","","90","","90","","568.09","0.03","293","","293","","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Ho1.8 La0.2 O7 Si2 -","- Ho1.8 La0.2 O7 Si2 -","- Ho7.2 La0.8 O28 Si8 -","4","0.5","","Alberto J. Fernández-Carrión; Mathieu Allix; Manuel Ocaña; Jorge García-Sevillano; Fernando Cusso; Andrew N. Fitch; Emmanuelle Suard; Ana I. Becerro","Crystal Structures and Photoluminescence across the La2Si2O7-Ho2Si2O7 System","Inorganic Chemistry","2013","52","","13469","13479","10.1021/ic401867c","powder diffraction","neutron","1.594","","","0.0164","0.0163","","0.0202","0.0202","","","","1.64","","","","","","","has coordinates,has Fobs","288070","2023-12-06","12:50:55",""
"4336826","13.1263","0.001","14.36","0.001","22.6164","0.0016","79.722","0.001","83.873","0.001","77.624","0.001","4086.7","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C9 H91 K0.9 O117 P2 Rb9.1 Re3 W17 -","- C9 K O85 P2 Rb9 Re3 W17 -","- C18 K2 O170 P4 Rb18 Re6 W34 -","2","1","","Chongchao Zhao; William Rodríguez-Córdoba; Alexey L. Kaledin; Ye Yang; Yurii V. Geletii; Tianquan Lian; Djamaladdin G. Musaev; Craig L. Hill","An Inorganic Chromophore Based on a Molecular Oxide Supported Metal Carbonyl Cluster: [P2W17O61{Re(CO)3}3{ORb(H2O)}(μ3-OH)]9-","Inorganic Chemistry","2013","52","","13490","13495","10.1021/ic4018823","","","0.71073","MoKα","","0.0901","0.0598","","","0.1444","0.1595","","","","","","1.02","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336827","21.256","0.002","10.973","0.001","23.901","0.002","90","","104.68","0.01","90","","5392.7","0.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H60 Cu2 I2 N9 P3 -","- C54 H60 Cu2 I2 N9 P3 -","- C216 H240 Cu8 I8 N36 P12 -","4","1","","Daniel M. Zink; Thomas Baumann; Jana Friedrichs; Martin Nieger; Stefan Bräse","Copper(I) Complexes Based on Five-Membered P^N Heterocycles: Structural Diversity Linked to Exciting Luminescence Properties","Inorganic Chemistry","2013","52","","13509","13520","10.1021/ic4019162","","","0.71073","MoKα","","0.0822","0.0449","","","0.0688","0.0774","","","","","","1.025","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336828","13.4675","0.0003","18.7642","0.0004","25.0665","0.0006","90","","102.466","0.001","90","","6185.1","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Cu2 I2 N9 P3 -","- C60 H72 Cu2 I2 N9 P3 -","- C240 H288 Cu8 I8 N36 P12 -","4","1","","Daniel M. Zink; Thomas Baumann; Jana Friedrichs; Martin Nieger; Stefan Bräse","Copper(I) Complexes Based on Five-Membered P^N Heterocycles: Structural Diversity Linked to Exciting Luminescence Properties","Inorganic Chemistry","2013","52","","13509","13520","10.1021/ic4019162","","","0.71073","MoKα","","0.0785","0.0574","","","0.1086","0.1191","","","","","","1.121","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336829","12.8014","0.0003","13.0287","0.0003","15.1242","0.0005","80.541","0.002","67.361","0.002","67.037","0.002","2143.35","0.11","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H74 Cu4 I4 N8 O6 P4 -","- C85 H72 Cu4 I4 N8 O6 P4 -","- C85 H72 Cu4 I4 N8 O6 P4 -","1","0.5","","Daniel M. Zink; Thomas Baumann; Jana Friedrichs; Martin Nieger; Stefan Bräse","Copper(I) Complexes Based on Five-Membered P^N Heterocycles: Structural Diversity Linked to Exciting Luminescence Properties","Inorganic Chemistry","2013","52","","13509","13520","10.1021/ic4019162","","","0.71073","MoKα","","0.0471","0.0408","","","0.0914","0.0966","","","","","","1.062","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336830","21.0417","0.0007","14.8586","0.0003","29.3087","0.001","90","","109.945","0.001","90","","8613.8","0.4","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Cu4 I4 N8 O6 P4 -","- C84 H70 Cu4 I4 N8 O6 P4 -","- C336 H280 Cu16 I16 N32 O24 P16 -","4","0.5","","Daniel M. Zink; Thomas Baumann; Jana Friedrichs; Martin Nieger; Stefan Bräse","Copper(I) Complexes Based on Five-Membered P^N Heterocycles: Structural Diversity Linked to Exciting Luminescence Properties","Inorganic Chemistry","2013","52","","13509","13520","10.1021/ic4019162","","","0.71073","MoKα","","0.1084","0.09","","","0.1763","0.1849","","","","","","1.199","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336831","10.2552","0.0004","12.912","0.0003","15.3709","0.0007","99.63","0.002","90.678","0.002","99.431","0.002","1977.92","0.13","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H60 Cu4 I4 N8 P4 S4 -","- C80 H60 Cu4 I4 N8 P4 S4 -","- C80 H60 Cu4 I4 N8 P4 S4 -","1","0.5","","Daniel M. Zink; Thomas Baumann; Jana Friedrichs; Martin Nieger; Stefan Bräse","Copper(I) Complexes Based on Five-Membered P^N Heterocycles: Structural Diversity Linked to Exciting Luminescence Properties","Inorganic Chemistry","2013","52","","13509","13520","10.1021/ic4019162","","","0.71073","MoKα","","0.0569","0.0467","","","0.0946","0.1012","","","","","","1.123","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336832","11.3527","0.0003","21.4546","0.0005","24.9436","0.0006","90","","97.753","0.002","90","","6019.9","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H52 Cu2 I2 N8 P4 -","- C64 H52 Cu2 I2 N8 P4 -","- C256 H208 Cu8 I8 N32 P16 -","4","0.5","","Daniel M. Zink; Thomas Baumann; Jana Friedrichs; Martin Nieger; Stefan Bräse","Copper(I) Complexes Based on Five-Membered P^N Heterocycles: Structural Diversity Linked to Exciting Luminescence Properties","Inorganic Chemistry","2013","52","","13509","13520","10.1021/ic4019162","","","0.71073","MoKα","","0.0665","0.0531","","","0.1061","0.1119","","","","","","1.128","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336833","12.1536","0.0007","16.1353","0.001","17.5569","0.001","97.443","0.001","92.344","0.001","110.645","0.001","3180.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C53.2 H72.79 B3 F12 Fe2 N14 O5 -","- C53.209 H72.821 B3 F12 Fe2 N14 O5 -","- C106.418 H145.642 B6 F24 Fe4 N28 O10 -","2","1","","Amit Majumdar; Stephen J. Lippard","Non-Heme Mononitrosyldiiron Complexes: Importance of Iron Oxidation State in Controlling the Nature of the Nitrosylated Products","Inorganic Chemistry","2013","52","","13292","13294","10.1021/ic4019508","","","0.71073","MoKα","","0.105","0.0902","","","0.2567","0.2768","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336834","13.0188","0.0004","15.2668","0.0004","20.2175","0.0005","68.9001","0.0003","72.3877","0.0004","75.8563","0.0004","3531.51","0.17","100","2","99.99","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H85 B3 F12 Fe2 N16 O8 -","- C58 H85 B3 F12 Fe2 N16 O8 -","- C116 H170 B6 F24 Fe4 N32 O16 -","2","1","","Amit Majumdar; Stephen J. Lippard","Non-Heme Mononitrosyldiiron Complexes: Importance of Iron Oxidation State in Controlling the Nature of the Nitrosylated Products","Inorganic Chemistry","2013","52","","13292","13294","10.1021/ic4019508","","","0.71073","MoKα","","0.0597","0.0523","","","0.1527","0.1609","","","","","","1.048","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336835","13.6754","0.0005","14.8013","0.0006","18.9609","0.0007","67.643","0.001","73.833","0.001","76.692","0.001","3375.6","0.2","100","2","100","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H64 B3 F12 Fe2 N13 O5 -","- C49 H64 B3 F12 Fe2 N13 O5 -","- C98 H128 B6 F24 Fe4 N26 O10 -","2","1","","Amit Majumdar; Stephen J. Lippard","Non-Heme Mononitrosyldiiron Complexes: Importance of Iron Oxidation State in Controlling the Nature of the Nitrosylated Products","Inorganic Chemistry","2013","52","","13292","13294","10.1021/ic4019508","","","0.71073","MoKα","","0.1044","0.0891","","","0.2648","0.2796","","","","","","1.112","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336836","13.7005","0.0006","14.864","0.0007","18.98","0.0009","67.497","0.001","73.72","0.001","76.605","0.001","3393.8","0.3","100","2","100.01","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H64 B3 F12 Fe2 N13 O5 -","- C49 H64 B3 F12 Fe2 N13 O5 -","- C98 H128 B6 F24 Fe4 N26 O10 -","2","1","","Amit Majumdar; Stephen J. Lippard","Non-Heme Mononitrosyldiiron Complexes: Importance of Iron Oxidation State in Controlling the Nature of the Nitrosylated Products","Inorganic Chemistry","2013","52","","13292","13294","10.1021/ic4019508","","","0.71073","MoKα","","0.0997","0.0815","","","0.2439","0.2602","","","","","","1.133","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336837","12.7306","0.0007","13.507","0.0007","21.6669","0.0012","76.909","0.001","79.875","0.001","66.862","0.001","3321.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H64 B3 F12 Fe2 N13 O5 -","- C49 H64 B3 F12 Fe2 N13 O5 -","- C98 H128 B6 F24 Fe4 N26 O10 -","2","1","","Amit Majumdar; Stephen J. Lippard","Non-Heme Mononitrosyldiiron Complexes: Importance of Iron Oxidation State in Controlling the Nature of the Nitrosylated Products","Inorganic Chemistry","2013","52","","13292","13294","10.1021/ic4019508","","","0.71073","MoKα","","0.1115","0.0901","","","0.2625","0.2797","","","","","","1.057","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4336838","25.4572","0.0006","25.4572","0.0006","16.5136","0.0004","90","","90","","120","","9268.2","0.4","100","1","100","1","","","","","","","","8","R 3 2 :H","R 3 2""","155","","","","- C101 H88 Cl22 F16 N6 O12 P2 Pd6 -","- C101.02 H88.02 Cl22.05 F15.996 N6 O12 P2 Pd6 -","- C303.06 H264.06 Cl66.15 F47.988 N18 O36 P6 Pd18 -","3","0.166667","","Michael G. Campbell; Shao-Liang Zheng; Tobias Ritter","One-Dimensional Palladium Wires: Influence of Molecular Changes on Supramolecular Structure","Inorganic Chemistry","2013","52","","13295","13297","10.1021/ic4019635","","","0.71073","MoKα","","0.0401","0.0349","","","0.0779","0.0801","","","","","","1.06","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336839","23.868","0.0015","23.868","0.0015","11.2498","0.0007","90","","90","","120","","5550.2","0.6","100","1","100","1","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C30.58 H21.17 Cl3.17 F N2 O4 Pd2 -","- C30.3611 H21.2 Cl3.16668 F0.85 N2 O4 Pd2 -","- C182.167 H127.2 Cl19.0001 F5.1 N12 O24 Pd12 -","6","0.5","","Michael G. Campbell; Shao-Liang Zheng; Tobias Ritter","One-Dimensional Palladium Wires: Influence of Molecular Changes on Supramolecular Structure","Inorganic Chemistry","2013","52","","13295","13297","10.1021/ic4019635","","","0.71073","MoKα","","0.0689","0.0532","","","0.1786","0.2033","","","","","","1.083","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336840","11.889","0.005","12.979","0.006","13.683","0.006","96.574","0.005","98.9","0.006","91.797","0.006","2069.7","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H22 Cl4 F2 N2 O4 Pd2 -","- C31 H22 Cl4 F2 N2 O4 Pd2 -","- C62 H44 Cl8 F4 N4 O8 Pd4 -","2","1","","Michael G. Campbell; Shao-Liang Zheng; Tobias Ritter","One-Dimensional Palladium Wires: Influence of Molecular Changes on Supramolecular Structure","Inorganic Chemistry","2013","52","","13295","13297","10.1021/ic4019635","","","0.71073","MoKα","","0.0758","0.0527","","","0.1192","0.1269","","","","","","1.027","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336841","13.6261","0.0012","20.2034","0.0017","14.4902","0.0012","90","","115.163","0.001","90","","3610.5","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro-(N,N-dimethylbenzylamine-κN,κC)(tris(para-trifluoromethyl- phenyl)phosphane)platinum(II) bis(dichloromethane) solvate","","- C32 H28 Cl5 F9 N P Pt -","- C32 H28 Cl5 F9 N P Pt -","- C128 H112 Cl20 F36 N4 P4 Pt4 -","4","1","","Natalia Cutillas; Alexandra Martínez; Gorakh S. Yellol; Venancio Rodríguez; Ana Zamora; Mónica Pedreño; Antonio Donaire; Christoph Janiak; José Ruiz","Anticancer C,N-Cycloplatinated(II) Complexes Containing Fluorinated Phosphine Ligands: Synthesis, Structural Characterization, and Biological Activity","Inorganic Chemistry","2013","52","","13529","13535","10.1021/ic401973k","","","0.71073","MoKα","","0.0597","0.0562","","","0.145","0.147","","","","","","1.145","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336842","7.1453","0.0006","7.1712","0.0007","8.4053","0.0007","94.582","0.007","94.334","0.007","117.057","0.009","379.28","0.07","173","","173","","","","","","","","","5","P -1","-P 1","2","Ni(ANG)2(NO3)2(H2O)2","Bis(3-amino-1-nitroguanidine)cobalt(II) nitrate dihydrate","","- C2 H14 N12 Ni O12 -","- C2 H14 N12 Ni O12 -","- C2 H14 N12 Ni O12 -","1","0.5","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.04","0.0304","","","0.0659","0.068","","","","","","0.943","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336843","7.2936","0.0005","13.1752","0.001","25.2461","0.0013","90","","90","","90","","2426","0.3","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","Ag(ANG)2(NO3)","Bis(3-amino-1-nitroguanidine)silver(I) nitrate","","- C2 H10 Ag N11 O7 -","- C2 H10 Ag N11 O7 -","- C16 H80 Ag8 N88 O56 -","8","1","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.066","0.0279","","","0.0447","0.0492","","","","","","0.776","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336844","13.9605","0.0008","7.3636","0.0004","25.8007","0.0015","90","","100.759","0.005","90","","2605.7","0.3","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Co(ANG)2(NO3)2","Bis(3-amino-1-nitroguanidine)copper(II) nitrate","","- C2 H10 Cu N12 O10 -","- C2 H10 Cu N12 O10 -","- C16 H80 Cu8 N96 O80 -","8","1","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.0473","0.0285","","","0.0518","0.0541","","","","","","0.851","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336845","6.8524","0.0004","6.9311","0.0004","9.1821","0.0005","86.232","0.005","79.608","0.005","62.648","0.006","380.92","0.04","173","2","173","","","","","","","","","5","P -1","-P 1","2","Co(ANG)2(NO3)2(H2O)2","Bis(3-amino-1-nitroguanidine)cobalt(II) nitrate dihydrate","","- C2 H14 Co N12 O12 -","- C2 H14 Co N12 O12 -","- C2 H14 Co N12 O12 -","1","0.5","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.0243","0.0215","","","0.0581","0.0589","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336846","7.2076","0.0009","22.159","0.002","5.9489","0.0009","90","","92.24","0.013","90","","949.4","0.2","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ag(ANG)2(DN)","Bis(3-amino-1-nitroguanidine)silver(I) dinitramide","","- C H7 Ag N8 O7 -","- C H7 Ag N8 O7 -","- C4 H28 Ag4 N32 O28 -","4","1","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.111","0.085","","","0.2022","0.213","","","","","","0.95","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336847","16.0756","0.0005","8.3203","0.0003","12.2323","0.0004","90","","90","","90","","1636.12","0.09","173","","173","","","","","","","","","6","P c a 21","P 2c -2ac","29","Ni(ANG)2(ClO4)2(H2O)2","Bis(3-amino-1-nitroguanidine)nickel(II) perchlorate dihydrate","","- C2 H14 Cl2 N10 Ni O14 -","- C2 H14 Cl2 N10 Ni O14 -","- C8 H56 Cl8 N40 Ni4 O56 -","4","1","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.0491","0.0327","","","0.0539","0.0563","","","","","","0.875","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336848","7.0614","0.0005","7.1953","0.0004","8.8214","0.0005","94.681","0.005","94.13","0.005","119.274","0.007","386.42","0.05","173","2","173","","","","","","","","","5","P -1","-P 1","2","Zn(ANG)2(NO3)2(H2O)2","Bis(3-amino-1-nitroguanidine)zinc(II) nitrate dihydrate","","- C2 H14 N12 O12 Zn -","- C2 H14 N12 O12 Zn -","- C2 H14 N12 O12 Zn -","1","0.5","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.0198","0.0184","","","0.0463","0.0468","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336849","7.5926","0.0006","7.7551","0.0006","7.8619","0.0006","72.087","0.007","74.101","0.007","77.206","0.007","418.84","0.06","173","2","173","","","","","","","","","6","P -1","-P 1","2","Cu(ANG)2(ClO4)2(H2O)2","Bis(3-amino-1-nitroguanidine)copper(II) perchlorate dihydrate","","- C2 H14 Cl2 Cu N10 O14 -","- C2 H14 Cl2 Cu N10 O14 -","- C2 H14 Cl2 Cu N10 O14 -","1","0.5","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.0399","0.0285","","","0.0695","0.0718","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336850","8.827","0.003","10.02","0.002","10.316","0.003","90","","110.54","0.04","90","","854.4","0.5","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Co(ANG)2(ClO4)2(H2O)2","Bis(3-amino-1-nitroguanidine)cobalt(II) perchlorate dihydrate","","- C2 H14 Cl2 Co N10 O14 -","- C2 H14 Cl2 Co N10 O14 -","- C4 H28 Cl4 Co2 N20 O28 -","2","0.5","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.0762","0.0406","","","0.0818","0.089","","","","","","0.849","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336851","7.9056","0.0005","12.5134","0.0006","10.1931","0.0007","90","","126.024","0.004","90","","815.53","0.1","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Zn(ANG)2(ClO4)2(H2O)2","Bis(3-amino-1-nitroguanidine)zinc(II) perchlorate dihydrate","","- C2 H14 Cl2 N10 O14 Zn -","- C2 H14 Cl2 N10 O14 Zn -","- C4 H28 Cl4 N20 O28 Zn2 -","2","0.5","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.0457","0.0294","","","0.0593","0.0617","","","","","","0.909","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336852","7.8539","0.0008","12.9734","0.001","7.7625","0.0008","90","","118.106","0.013","90","","697.67","0.14","173","2","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cu(ANG)2(Cl)2(H2O)2","Bis(3-amino-1-nitroguanidine)copper(II) chloride dihydrate","","- C2 H14 Cl2 Cu N10 O6 -","- C2 H14 Cl2 Cu N10 O6 -","- C4 H28 Cl4 Cu2 N20 O12 -","2","0.5","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.035","0.0286","","","0.0643","0.0683","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336853","7.7202","0.0003","13.108","0.0004","7.8612","0.0003","90","","118.913","0.006","90","","696.37","0.06","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Co(ANG)2(Cl)2(H2O)2","Bis(3-amino-1-nitroguanidine)cobalt(II) chloride dihydrate","","- C2 H14 Cl2 Co N10 O6 -","- C2 H14 Cl2 Co N10 O6 -","- C4 H28 Cl4 Co2 N20 O12 -","2","0.5","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.023","0.0198","","","0.0482","0.0498","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336854","7.7086","0.0002","13.0721","0.0003","7.8241","0.0002","90","","119.253","0.004","90","","687.87","0.04","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Ni(ANG)2(Cl)2(H2O)2","Bis(3-amino-1-nitroguanidine)nickel(II) chloride dihydrate","","- C2 H14 Cl2 N10 Ni O6 -","- C2 H14 Cl2 N10 Ni O6 -","- C4 H28 Cl4 N20 Ni2 O12 -","2","0.5","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.0188","0.0171","","","0.0414","0.0424","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336855","12.1641","0.0004","6.5297","0.0002","13.1323","0.0004","90","","111.038","0.003","90","","973.54","0.06","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ni(ANG)2(NO3)2(H2O)4","Bis(3-amino-1-nitroguanidine)nickel(II) dinitramide tetrahydrate","","- C2 H18 N16 Ni O16 -","- C2 H18 N16 Ni O16 -","- C4 H36 N32 Ni2 O32 -","2","0.5","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.0261","0.0224","","","0.055","0.057","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336856","12.2271","0.0004","6.5441","0.0002","13.1602","0.0005","90","","111.047","0.004","90","","982.77","0.06","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co(ANG)2(NO3)2(H2O)4","Bis(3-amino-1-nitroguanidine)cobalt(II) dinitramide tetrahydrate","","- C2 H18 Co N16 O16 -","- C2 H18 Co N16 O16 -","- C4 H36 Co2 N32 O32 -","2","0.5","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.0306","0.0249","","","0.0593","0.0633","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336857","7.8148","0.0003","13.0922","0.0003","7.8655","0.0003","90","","119.386","0.005","90","","701.2","0.05","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Co(ANG)2(Cl)2(H2O)2","Bis(3-amino-1-nitroguanidine)zinc(II) chloride dihydrate","","- C2 H14 Cl2 N10 O6 Zn -","- C2 H14 Cl2 N10 O6 Zn -","- C4 H28 Cl4 N20 O12 Zn2 -","2","0.5","","Niko Fischer; Manuel Joas; Thomas M. Klapötke; Jörg Stierstorfer","Transition Metal Complexes of 3-Amino-1-nitroguanidine as Laser Ignitible Primary Explosives: Structures and Properties","Inorganic Chemistry","2013","52","","13791","13802","10.1021/ic402038x","","","0.71073","MoKα","","0.0232","0.0202","","","0.0508","0.0525","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336858","9.7943","0.0003","18.2314","0.0007","13.208","0.0005","90","","97.095","0.001","90","","2340.41","0.15","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Co N2 O4 Pt S4 -","- C18 H22 Co N2 O4 Pt S4 -","- C72 H88 Co4 N8 O16 Pt4 S16 -","4","0.5","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; Jeffrey W. Bacon; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Pt...Pt vs Pt...S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes","Inorganic Chemistry","2013","52","","13562","13575","10.1021/ic402075y","","","1.54178","CuKα","","0.0215","0.0214","","","0.0529","0.0529","","","","","","1.132","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336859","9.7573","0.0003","18.2019","0.0005","13.1832","0.0003","90","","97.12","0.001","90","","2323.3","0.11","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 Ni O4 Pt S4 -","- C18 H22 N2 Ni O4 Pt S4 -","- C72 H88 N8 Ni4 O16 Pt4 S16 -","4","0.5","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; Jeffrey W. Bacon; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Pt...Pt vs Pt...S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes","Inorganic Chemistry","2013","52","","13562","13575","10.1021/ic402075y","","","1.54178","CuKα","","0.0125","0.0124","","","0.0303","0.0303","","","","","","1.085","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336860","9.7867","0.0016","18.064","0.003","13.228","0.002","90","","97.407","0.008","90","","2319","0.6","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N2 O4 Pt S4 Zn -","- C18 H22 N2 O4 Pt S4 Zn -","- C72 H88 N8 O16 Pt4 S16 Zn4 -","4","0.5","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; Jeffrey W. Bacon; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Pt...Pt vs Pt...S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes","Inorganic Chemistry","2013","52","","13562","13575","10.1021/ic402075y","","","0.71073","MoKα","","0.0219","0.0196","","","0.0481","0.049","","","","","","1.011","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336861","8.4915","0.0005","10.6097","0.0006","11.6814","0.0006","74.987","0.002","76.199","0.002","71.709","0.002","950.83","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H17 Co N O4 Pt S4 -","- C13 H17 Co N O4 Pt S4 -","- C26 H34 Co2 N2 O8 Pt2 S8 -","2","1","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; Jeffrey W. Bacon; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Pt...Pt vs Pt...S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes","Inorganic Chemistry","2013","52","","13562","13575","10.1021/ic402075y","","","0.71073","MoKα","","0.0248","0.0209","","","0.044","0.0454","","","","","","1.005","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336862","8.6106","0.0015","10.4639","0.0019","11.537","0.0019","76.692","0.005","75.057","0.005","72.423","0.006","944.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H17 N Ni O4 Pt S4 -","- C13 H17 N Ni O4 Pt S4 -","- C26 H34 N2 Ni2 O8 Pt2 S8 -","2","1","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; Jeffrey W. Bacon; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Pt...Pt vs Pt...S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes","Inorganic Chemistry","2013","52","","13562","13575","10.1021/ic402075y","","","0.71073","MoKα","","0.0209","0.0185","","","0.0407","0.0417","","","","","","1.036","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336863","8.5584","0.0007","10.5455","0.0008","11.6893","0.0009","74.699","0.003","75.693","0.003","71.615","0.003","950.05","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H17 N O4 Pt S4 Zn -","- C13 H17 N O4 Pt S4 Zn -","- C26 H34 N2 O8 Pt2 S8 Zn2 -","2","1","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; Jeffrey W. Bacon; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Pt...Pt vs Pt...S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes","Inorganic Chemistry","2013","52","","13562","13575","10.1021/ic402075y","","","0.71073","MoKα","","0.0214","0.0196","","","0.0464","0.0474","","","","","","1.054","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336864","8.8985","0.0008","10.6574","0.001","11.0795","0.0009","81.564","0.002","76.215","0.001","73.124","0.002","973.11","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H18 Co N2 O4 Pt S4 -","- C13 H18 Co N2 O4 Pt S4 -","- C26 H36 Co2 N4 O8 Pt2 S8 -","2","1","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; Jeffrey W. Bacon; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Pt...Pt vs Pt...S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes","Inorganic Chemistry","2013","52","","13562","13575","10.1021/ic402075y","","","0.71073","MoKα","","0.0153","0.0145","","","0.0353","0.0355","","","","","","1.062","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336865","8.8617","0.0004","10.6957","0.0004","11.006","0.0004","81.964","0.001","76.004","0.001","73.162","0.001","966.07","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H18 N2 Ni O4 Pt S4 -","- C13 H18 N2 Ni O4 Pt S4 -","- C26 H36 N4 Ni2 O8 Pt2 S8 -","2","1","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; Jeffrey W. Bacon; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Pt...Pt vs Pt...S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes","Inorganic Chemistry","2013","52","","13562","13575","10.1021/ic402075y","","","0.71073","MoKα","","0.0185","0.016","","","0.0365","0.0376","","","","","","1.021","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336866","8.9262","0.0014","10.6627","0.0017","11.0745","0.0018","81.62","0.007","76.126","0.006","72.97","0.007","975.2","0.3","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H18 N2 O4 Pt S4 Zn -","- C13 H18 N2 O4 Pt S4 Zn -","- C26 H36 N4 O8 Pt2 S8 Zn2 -","2","1","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; Jeffrey W. Bacon; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Pt...Pt vs Pt...S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes","Inorganic Chemistry","2013","52","","13562","13575","10.1021/ic402075y","","","0.71073","MoKα","","0.0221","0.021","","","0.0525","0.0533","","","","","","1.029","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336867","8.6924","0.0005","10.9949","0.0006","12.2465","0.0007","94.56","0.002","93.722","0.002","94.748","0.002","1159.7","0.11","244","2","244","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Co O6 Pt S6 -","- C12 H24 Co O6 Pt S6 -","- C24 H48 Co2 O12 Pt2 S12 -","2","1","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; Jeffrey W. Bacon; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Pt...Pt vs Pt...S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes","Inorganic Chemistry","2013","52","","13562","13575","10.1021/ic402075y","","","1.54178","CuKα","","0.052","0.0519","","","0.1286","0.1288","","","","","","1.102","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336868","13.0421","0.0002","10.8041","0.0002","17.1529","0.0003","90","","94.278","0.001","90","","2410.25","0.07","292","2","292","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 N2 Ni O6 Pt S4 -","- C14 H26 N2 Ni O6 Pt S4 -","- C56 H104 N8 Ni4 O24 Pt4 S16 -","4","1","","Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; Jeffrey W. Bacon; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Pt...Pt vs Pt...S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes","Inorganic Chemistry","2013","52","","13562","13575","10.1021/ic402075y","","","1.54178","CuKα","","0.0252","0.0247","","","0.0626","0.0629","","","","","","1.121","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336869","15.3955","0.001","14.0979","0.0009","23.9071","0.0016","90","","90","","90","","5188.9","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","{[4-Br-3,5-(CF3)2Pz]Ag}3","","","- C15 Ag3 Br3 F18 N6 -","- C15 Ag3 Br3 F18 N6 -","- C120 Ag24 Br24 F144 N48 -","8","1","","Champika V. Hettiarachchi; Manal A. Rawashdeh-Omary; Daniel Korir; Jehan Kohistani; Muhammed Yousufuddin; H. V. Rasika Dias","Trinuclear Copper(I) and Silver(I) Adducts of 4-Chloro-3,5-bis(trifluoromethyl)pyrazolate and 4-Bromo-3,5-bis(trifluoromethyl)pyrazolate","Inorganic Chemistry","2013","52","","13576","13583","10.1021/ic402080y","","","0.71073","MoKα","","0.0382","0.0313","","","0.0746","0.0802","","","","","","1.047","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336870","7.231","0.004","13.697","0.008","14.946","0.008","106.221","0.007","102.082","0.007","104.873","0.007","1309.3","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","{[4-Cl-3,5-(CF3)2Pz]Cu}3","","","- C15 Cl3 Cu3 F18 N6 -","- C15 Cl3 Cu3 F18 N6 -","- C30 Cl6 Cu6 F36 N12 -","2","1","","Champika V. Hettiarachchi; Manal A. Rawashdeh-Omary; Daniel Korir; Jehan Kohistani; Muhammed Yousufuddin; H. V. Rasika Dias","Trinuclear Copper(I) and Silver(I) Adducts of 4-Chloro-3,5-bis(trifluoromethyl)pyrazolate and 4-Bromo-3,5-bis(trifluoromethyl)pyrazolate","Inorganic Chemistry","2013","52","","13576","13583","10.1021/ic402080y","","","0.71073","MoKα","","0.1498","0.0588","","","0.1163","0.1396","","","","","","1.053","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336871","14.054","0.004","23.633","0.007","16.525","0.005","90","","102.557","0.004","90","","5357","3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{[4-Br-3,5-(CF3)2Pz]Cu}3","","","- C15 Br3 Cu3 F18 N6 -","- C15 Br3 Cu3 F18 N6 -","- C120 Br24 Cu24 F144 N48 -","8","2","","Champika V. Hettiarachchi; Manal A. Rawashdeh-Omary; Daniel Korir; Jehan Kohistani; Muhammed Yousufuddin; H. V. Rasika Dias","Trinuclear Copper(I) and Silver(I) Adducts of 4-Chloro-3,5-bis(trifluoromethyl)pyrazolate and 4-Bromo-3,5-bis(trifluoromethyl)pyrazolate","Inorganic Chemistry","2013","52","","13576","13583","10.1021/ic402080y","","","0.71073","MoKα","","0.1104","0.0425","","","0.0942","0.1198","","","","","","0.989","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336872","15.3988","0.0012","13.8537","0.0011","23.8914","0.0018","90","","90","","90","","5096.8","0.7","100","2","100.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","{[4-Cl-3,5-(CF3)2Pz]Ag}3","","","- C15 Ag3 Cl3 F18 N6 -","- C15 Ag3 Cl3 F18 N6 -","- C120 Ag24 Cl24 F144 N48 -","8","1","","Champika V. Hettiarachchi; Manal A. Rawashdeh-Omary; Daniel Korir; Jehan Kohistani; Muhammed Yousufuddin; H. V. Rasika Dias","Trinuclear Copper(I) and Silver(I) Adducts of 4-Chloro-3,5-bis(trifluoromethyl)pyrazolate and 4-Bromo-3,5-bis(trifluoromethyl)pyrazolate","Inorganic Chemistry","2013","52","","13576","13583","10.1021/ic402080y","","","0.71073","MoKα","","0.0459","0.0379","","","0.0908","0.0953","","","","","","1.087","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336873","8.8101","0.0005","9.1759","0.0005","11.1624","0.0006","102.467","0.001","92.503","0.001","113.932","0.001","796.59","0.08","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 Fe N2 Si2 -","- C30 H52 Fe N2 Si2 -","- C30 H52 Fe N2 Si2 -","1","0.5","","Chun-Yi Lin; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Fernande Grandjean; Gary J. Long; Nicholas F. Chilton; Philip P. Power","Dispersion Force Stabilized Two-Coordinate Transition Metal-Amido Complexes of the -N(SiMe3)Dipp (Dipp = C6H3-2,6-Pri2) Ligand: Structural, Spectroscopic, Magnetic, and Computational Studies","Inorganic Chemistry","2013","52","","13584","13593","10.1021/ic402105m","","","0.71073","MoKα","","0.0378","0.0347","","","0.1043","0.1073","","","","","","1.009","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336874","8.9104","0.0013","9.1955","0.0013","10.9978","0.0016","102.065","0.0016","92.5472","0.0017","114.364","0.0016","794","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 N2 Ni Si2 -","- C30 H52 N2 Ni Si2 -","- C30 H52 N2 Ni Si2 -","1","0.5","","Chun-Yi Lin; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Fernande Grandjean; Gary J. Long; Nicholas F. Chilton; Philip P. Power","Dispersion Force Stabilized Two-Coordinate Transition Metal-Amido Complexes of the -N(SiMe3)Dipp (Dipp = C6H3-2,6-Pri2) Ligand: Structural, Spectroscopic, Magnetic, and Computational Studies","Inorganic Chemistry","2013","52","","13584","13593","10.1021/ic402105m","","","0.71073","MoKα","","0.0317","0.0265","","","0.0722","0.0747","","","","","","1.043","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336875","8.8518","0.001","9.1815","0.001","11.0926","0.0012","102.519","0.0014","92.4082","0.0014","114.017","0.0013","795.28","0.15","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 Co N2 Si2 -","- C30 H52 Co N2 Si2 -","- C30 H52 Co N2 Si2 -","1","0.5","","Chun-Yi Lin; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Fernande Grandjean; Gary J. Long; Nicholas F. Chilton; Philip P. Power","Dispersion Force Stabilized Two-Coordinate Transition Metal-Amido Complexes of the -N(SiMe3)Dipp (Dipp = C6H3-2,6-Pri2) Ligand: Structural, Spectroscopic, Magnetic, and Computational Studies","Inorganic Chemistry","2013","52","","13584","13593","10.1021/ic402105m","","","0.71073","MoKα","","0.0357","0.0349","","","0.1065","0.1073","","","","","","1.087","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336876","10.2421","0.0003","16.2208","0.0005","40.7752","0.0013","90","","94.5098","0.0013","90","","6753.2","0.4","90","2","90.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H108 Cr4 N4 O Si4 -","- C64 H108 Cr4 N4 O Si4 -","- C256 H432 Cr16 N16 O4 Si16 -","4","1","","Chun-Yi Lin; Jing-Dong Guo; James C. Fettinger; Shigeru Nagase; Fernande Grandjean; Gary J. Long; Nicholas F. Chilton; Philip P. Power","Dispersion Force Stabilized Two-Coordinate Transition Metal-Amido Complexes of the -N(SiMe3)Dipp (Dipp = C6H3-2,6-Pri2) Ligand: Structural, Spectroscopic, Magnetic, and Computational Studies","Inorganic Chemistry","2013","52","","13584","13593","10.1021/ic402105m","","","1.54178","CuKα","","0.043","0.0419","","","0.1071","0.1078","","","","","","1.095","","","","has coordinates,has Fobs","179471","2020-10-21","18:00:00",""
"4336877","5.39982","0.00015","9.3518","0.0003","5.67997","0.00008","90","","108.562","0.0017","90","","271.906","0.012","298","","298","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi Na3 Ni2 O6 -","- Bi Na3 Ni2 O6 -","- Bi2 Na6 Ni4 O12 -","2","0.25","","Elizabeth M. Seibel; J. H. Roudebush; Hui Wu; Qingzhen Huang; Mazhar N. Ali; Huiwen Ji; R. J. Cava","Structure and Magnetic Properties of the α-NaFeO2-Type Honeycomb Compound Na3Ni2BiO6","Inorganic Chemistry","2013","52","","13605","13611","10.1021/ic402131e","powder diffraction","","1.5403","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336878","13.6092","0.0014","10.231","0.001","14.8126","0.0016","90","","91.846","0.005","90","","2061.4","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Cl2 Cu2 N4 O2 -","- C44 H54 Cl2 Cu2 N4 O2 -","- C88 H108 Cl4 Cu4 N8 O4 -","2","0.5","","Todd J. J. Whitehorne; Frank Schaper","Square-Planar Cu(II) Diketiminate Complexes in Lactide Polymerization","Inorganic Chemistry","2013","52","","13612","13622","10.1021/ic402133c","","","1.54178","CuKα","","0.0557","0.0475","","","0.1363","0.1446","","","","","","1.045","","","","has coordinates","288567","2023-12-30","12:54:35",""
"4336879","16.6129","0.0005","10.4872","0.0003","23.5375","0.0007","90","","97.799","0.002","90","","4062.8","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H58 Cu N4 -","- C46 H58 Cu N4 -","- C184 H232 Cu4 N16 -","4","1","","Todd J. J. Whitehorne; Frank Schaper","Square-Planar Cu(II) Diketiminate Complexes in Lactide Polymerization","Inorganic Chemistry","2013","52","","13612","13622","10.1021/ic402133c","","","1.54178","CuKα","","0.0458","0.0369","","","0.0962","0.1031","","","","","","1.031","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336880","12.0601","0.0013","12.1002","0.0013","16.0178","0.0018","78.08","0.004","75.677","0.004","60.513","0.005","1961.5","0.4","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C50 H42 Cu N4 -","- C50 H42 Cu N4 -","- C100 H84 Cu2 N8 -","2","1","","Todd J. J. Whitehorne; Frank Schaper","Square-Planar Cu(II) Diketiminate Complexes in Lactide Polymerization","Inorganic Chemistry","2013","52","","13612","13622","10.1021/ic402133c","","","1.54178","CuKα","","0.0789","0.0756","","","0.1917","0.1948","","","","","","1.036","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336881","9.5454","0.0006","11.3169","0.0007","15.0776","0.001","93.248","0.003","103.821","0.003","92.335","0.003","1576.57","0.18","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C38 H42 Cu N4 -","- C38 H42 Cu N4 -","- C76 H84 Cu2 N8 -","2","1","","Todd J. J. Whitehorne; Frank Schaper","Square-Planar Cu(II) Diketiminate Complexes in Lactide Polymerization","Inorganic Chemistry","2013","52","","13612","13622","10.1021/ic402133c","","","1.54178","CuKα","","0.0376","0.0366","","","0.1013","0.1022","","","","","","1.058","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336882","11.2594","0.0004","17.7065","0.0007","21.5097","0.0008","90","","91.886","0.002","90","","4285.9","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H50 Cl2 Cu N6 O4 -","- C47 H50 Cl2 Cu N6 O4 -","- C188 H200 Cl8 Cu4 N24 O16 -","4","1","","Todd J. J. Whitehorne; Frank Schaper","Square-Planar Cu(II) Diketiminate Complexes in Lactide Polymerization","Inorganic Chemistry","2013","52","","13612","13622","10.1021/ic402133c","","","1.54178","CuKα","","0.0412","0.0364","","","0.0971","0.101","","","","","","1.043","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336883","8.3975","0.0004","8.3975","0.0004","21.842","0.003","90","","90","","120","","1333.9","0.2","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.09 Sr2 Zn2.91 -","- Au6.093 Sr2 Zn2.907 -","- Au36.558 Sr12 Zn17.442 -","6","0.166667","","Trinath Mishra; Qisheng Lin; John D. Corbett","Gold Network Structures in Rhombohedral and Monoclinic Sr2Au6(Au,T)3 (T = Zn, Ga). A Transition via Relaxation","Inorganic Chemistry","2013","52","","13623","13630","10.1021/ic402145k","","","0.71073","MoKα","","0.027","0.0216","","","0.0515","0.0543","","","","","","1.052","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336884","8.4198","0.0004","8.4198","0.0004","21.895","0.003","90","","90","","120","","1344.2","0.2","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.14 Sr2 Zn2.86 -","- Au6.144 Sr2 Zn2.856 -","- Au36.864 Sr12 Zn17.136 -","6","0.166667","","Trinath Mishra; Qisheng Lin; John D. Corbett","Gold Network Structures in Rhombohedral and Monoclinic Sr2Au6(Au,T)3 (T = Zn, Ga). A Transition via Relaxation","Inorganic Chemistry","2013","52","","13623","13630","10.1021/ic402145k","","","0.71073","MoKα","","0.0233","0.0204","","","0.0427","0.0437","","","","","","1.045","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336885","8.4506","0.0004","8.4506","0.0004","21.889","0.003","90","","90","","120","","1353.7","0.2","293","2","293","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.49 Sr2 Zn2.51 -","- Au6.489 Sr2 Zn2.511 -","- Au38.934 Sr12 Zn15.066 -","6","0.166667","","Trinath Mishra; Qisheng Lin; John D. Corbett","Gold Network Structures in Rhombohedral and Monoclinic Sr2Au6(Au,T)3 (T = Zn, Ga). A Transition via Relaxation","Inorganic Chemistry","2013","52","","13623","13630","10.1021/ic402145k","","","0.71073","MoKα","","0.0356","0.0269","","","0.0514","0.0541","","","","","","1.11","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336886","14.7015","0.0007","8.4626","0.0004","8.7","0.0004","90","","123.208","0.004","90","","905.62","0.08","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Au6.71 Sr2 Zn2.29 -","- Au6.709 Sr2 Zn2.291 -","- Au26.836 Sr8 Zn9.164 -","4","0.5","","Trinath Mishra; Qisheng Lin; John D. Corbett","Gold Network Structures in Rhombohedral and Monoclinic Sr2Au6(Au,T)3 (T = Zn, Ga). A Transition via Relaxation","Inorganic Chemistry","2013","52","","13623","13630","10.1021/ic402145k","","","0.71073","MoKα","","0.0539","0.041","","","0.0786","0.0828","","","","","","1.08","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336887","14.6833","0.0007","8.4649","0.0004","8.7463","0.0004","90","","123.45","0.004","90","","907.04","0.08","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Au6.82 Sr2 Zn2.18 -","- Au6.804 Sr2 Zn2.196 -","- Au27.216 Sr8 Zn8.784 -","4","0.5","","Trinath Mishra; Qisheng Lin; John D. Corbett","Gold Network Structures in Rhombohedral and Monoclinic Sr2Au6(Au,T)3 (T = Zn, Ga). A Transition via Relaxation","Inorganic Chemistry","2013","52","","13623","13630","10.1021/ic402145k","","","0.71073","MoKα","","0.0554","0.0465","","","0.1061","0.1093","","","","","","1.126","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336888","8.4334","0.0003","8.4334","0.0003","21.916","0.002","90","","90","","120","","1349.89","0.14","296","2","296","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Au6.09 Ga2.91 Sr2 -","- Au6.081 Ga2.919 Sr2 -","- Au36.486 Ga17.514 Sr12 -","6","0.166667","","Trinath Mishra; Qisheng Lin; John D. Corbett","Gold Network Structures in Rhombohedral and Monoclinic Sr2Au6(Au,T)3 (T = Zn, Ga). A Transition via Relaxation","Inorganic Chemistry","2013","52","","13623","13630","10.1021/ic402145k","","","0.71073","MoKα","","0.0396","0.0314","","","0.0727","0.0763","","","","","","1.136","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336889","7.2769","0.0002","22.9102","0.0005","4.3984","0.0001","90","","90","","90","","733.28","0.03","296","2","296","2","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Ga2 Sb6 Yb5 -","- Ga2 Sb6 Yb5 -","- Ga4 Sb12 Yb10 -","2","0.25","","Udumula Subbarao; Sumanta Sarkar; Vijay Kumar Gudelli; V. Kanchana; G. Vaitheeswaran; Sebastian C. Peter","Yb5Ga2Sb6: A Mixed Valent and Narrow-Band Gap Material in the RE5M2X6 Family","Inorganic Chemistry","2013","52","","13631","13638","10.1021/ic402185s","","","0.71073","MoKα","","0.0384","0.0329","","","0.0796","0.0827","","","","","","1.062","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336890","6.9375","0.0014","16.215","0.003","18.765","0.004","90","","90","","90","","2110.9","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Ce2 Na10 O24 P6 -","- Ce2 Na10 O24 P6 -","- Ce8 Na40 O96 P24 -","4","1","","Yu-Hsien Lai; Yu-Chih Chang; Tsz-Fung Wong; Wan-Ju Tai; Wen-Jung Chang; Kwang-Hwa Lii","High-Temperature, High-Pressure Hydrothermal Synthesis, Crystal Structures, and Spectroscopic Studies of a Uranium(IV) Phosphate (Na10U2P6O24) and the Isotypic Cerium(IV) Phosphate (Na10Ce2P6O24)","Inorganic Chemistry","2013","52","","13639","13643","10.1021/ic402208s","","","0.71073","MoKα","","0.0209","0.0202","","","0.0507","0.0529","","","","","","1.072","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336891","8.2622","0.0005","8.1084","0.0004","9.1513","0.0005","90","","90","","90","","613.08","0.06","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- B2 Ge2 O8 Sr -","- B2 Ge2 O8 Sr -","- B8 Ge8 O32 Sr4 -","4","0.5","","Yu-Cheng Hao; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","SrGe2B2O8 and Sr3Ge2B6O16: Novel Strontium Borogermanates with Three-Dimensional and Layered Anionic Architectures","Inorganic Chemistry","2013","52","","13644","13650","10.1021/ic402214p","","","0.71073","MoKα","","0.0223","0.0203","","","0.0465","0.0481","","","","","","1.114","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336892","4.9978","0.0005","7.3292","0.0007","8.4576","0.0008","76.519","0.008","77.282","0.008","89.575","0.008","293.56","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- B6 Ge2 O16 Sr3 -","- B6 Ge2 O16 Sr3 -","- B6 Ge2 O16 Sr3 -","1","0.5","","Yu-Cheng Hao; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","SrGe2B2O8 and Sr3Ge2B6O16: Novel Strontium Borogermanates with Three-Dimensional and Layered Anionic Architectures","Inorganic Chemistry","2013","52","","13644","13650","10.1021/ic402214p","","","0.71073","MoKα","","0.0371","0.031","","","0.0655","0.0684","","","","","","1.077","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336893","16.186","0.004","8.1664","0.0018","16.298","0.004","90","","104.059","0.004","90","","2089.8","0.9","173","2","173","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C10 H24 Br6 N4 -","- C10 H24 Br6 N4 -","- C40 H96 Br24 N16 -","4","1","","Pablo Bruna; Andreas Decken; Scott Greer; Friedrich Grein; H. Donald B. Jenkins; Birgit Mueller; Jack Passmore; Tressia A. P. Paulose; J. Mikko Rautiainen; Stephanie Richardson; Melbourne J. Schriver","Synthesis of (TDAE)(O2SSO2)(s) and Discovery of (TDAE)(O2SSSSO2)(s) Containing the First Polythionite, [O2SSSSO2]2-","Inorganic Chemistry","2013","52","","13651","13662","10.1021/ic4022195","","","0.71073","MoKα","","0.0651","0.0452","","","0.1169","0.1268","","","","","","1.058","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336894","8.8871","0.001","12.3534","0.0014","16.1822","0.0018","90","","91.517","0.002","90","","1776","0.3","188","2","188","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 N4 O4 S4 -","- C10 H24 N4 O4 S4 -","- C40 H96 N16 O16 S16 -","4","1","","Pablo Bruna; Andreas Decken; Scott Greer; Friedrich Grein; H. Donald B. Jenkins; Birgit Mueller; Jack Passmore; Tressia A. P. Paulose; J. Mikko Rautiainen; Stephanie Richardson; Melbourne J. Schriver","Synthesis of (TDAE)(O2SSO2)(s) and Discovery of (TDAE)(O2SSSSO2)(s) Containing the First Polythionite, [O2SSSSO2]2-","Inorganic Chemistry","2013","52","","13651","13662","10.1021/ic4022195","","","0.71073","MoKα","","0.0609","0.0476","","","0.123","0.136","","","","","","1.041","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336895","9.2274","0.0012","14.67","0.002","25.607","0.004","90","","90","","90","","3466.3","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H28 Br2 N4 O2 -","- C10 H28 Br2 N4 O2 -","- C80 H224 Br16 N32 O16 -","8","1","","Pablo Bruna; Andreas Decken; Scott Greer; Friedrich Grein; H. Donald B. Jenkins; Birgit Mueller; Jack Passmore; Tressia A. P. Paulose; J. Mikko Rautiainen; Stephanie Richardson; Melbourne J. Schriver","Synthesis of (TDAE)(O2SSO2)(s) and Discovery of (TDAE)(O2SSSSO2)(s) Containing the First Polythionite, [O2SSSSO2]2-","Inorganic Chemistry","2013","52","","13651","13662","10.1021/ic4022195","","","0.71073","MoKα","","0.0502","0.0331","","","0.0845","0.0945","","","","","","1.032","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336896","14.4966","0.0008","15.1538","0.0008","17.8509","0.0009","73.872","0.003","81.949","0.003","62.803","0.002","3350.2","0.3","92","2","92","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H31.5 Cu1.5 N9.5 O5.5 Tb0.5 W0.5 -","- C28 H31.5 Cu1.5 N9.5 O5.5 Tb0.5 W0.5 -","- C112 H126 Cu6 N38 O22 Tb2 W2 -","4","2","","Sébastien Dhers; Humphrey L. C. Feltham; Rodolphe Clérac; Sally Brooker","Design of One-Dimensional Coordination Networks from a Macrocyclic {3d-4f} Single-Molecule Magnet Precursor Linked by [W(CN)8]3- Anions","Inorganic Chemistry","2013","52","","13685","13691","10.1021/ic402248y","","","0.71073","MoKα","","0.0604","0.0513","","","0.1387","0.1484","","","","","","1.07","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336897","22.615","0.007","14.423","0.004","19.72","0.006","90","","92.276","0.014","90","","6427","3","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54.5 H68.5 Cu3 N18.5 O14 Tb W -","- C54.5 H68.5 Cu3 N18.5 O14 Tb W -","- C218 H274 Cu12 N74 O56 Tb4 W4 -","4","1","","Sébastien Dhers; Humphrey L. C. Feltham; Rodolphe Clérac; Sally Brooker","Design of One-Dimensional Coordination Networks from a Macrocyclic {3d-4f} Single-Molecule Magnet Precursor Linked by [W(CN)8]3- Anions","Inorganic Chemistry","2013","52","","13685","13691","10.1021/ic402248y","","","0.71073","MoKα","","0.0623","0.0494","","","0.1166","0.1264","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336898","11.1839","0.0007","18.2823","0.0011","14.7429","0.0009","90","","92.723","0.001","90","","3011","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","12221","","","- C31 H45 Al N2 O5 -","- C31 H45 Al N2 O5 -","- C124 H180 Al4 N8 O20 -","4","1","","Maria O. Miranda; Yvonne DePorre; Hugo Vazquez-Lima; Michelle A. Johnson; Daniel J. Marell; Christopher J. Cramer; William B. Tolman","Understanding the Mechanism of Polymerization of ε-Caprolactone Catalyzed by Aluminum Salen Complexes","Inorganic Chemistry","2013","52","","13692","13701","10.1021/ic402255m","","","0.71073","MoKα","","0.0696","0.047","","","0.118","0.1319","","","","","","1.049","","","","has coordinates","179471","2020-10-21","18:00:00",""
"4336899","16.5791","0.0004","20.5132","0.0004","25.5694","0.0005","84.2046","0.0017","89.3037","0.0018","89.3726","0.0018","8650.4","0.3","100.15","","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C120 H230 Gd6 Ni6 O56 P6 -","- C120 H230 Gd6 Ni6 O56 P6 -","- C240 H460 Gd12 Ni12 O112 P12 -","2","1","","Eufemio Moreno Pineda; Floriana Tuna; Yan-Zhen Zheng; Richard E. P. Winpenny; Eric J. L. McInnes","Wells-Dawson Cages as Molecular Refrigerants","Inorganic Chemistry","2013","52","","13702","13707","10.1021/ic402296t","","","0.7107","MoKα","","0.1263","0.0841","","","0.1822","0.2004","","","","","","1.052","","","","has coordinates,has disorder","179471","2020-10-21","18:00:00",""
"4336900","15.4495","0.0005","16.0319","0.0005","16.3513","0.0006","104.512","0.003","101.152","0.003","100.934","0.003","3723.8","0.2","104","2","104","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H176 Gd6 N2 Ni6 O56 P6 -","- C94 H176 Gd6 N2 Ni6 O56 P6 -","- C94 H176 Gd6 N2 Ni6 O56 P6 -","1","0.5","","Eufemio Moreno Pineda; Floriana Tuna; Yan-Zhen Zheng; Richard E. P. Winpenny; Eric J. L. McInnes","Wells-Dawson Cages as Molecular Refrigerants","Inorganic Chemistry","2013","52","","13702","13707","10.1021/ic402296t","","","0.7107","MoKα","","0.0892","0.0509","","","0.1028","0.1252","","","","","","1.029","","","","has coordinates,has disorder","179472","2020-10-21","18:00:00",""
"4336901","16.4562","0.0004","17.6336","0.0004","18.5683","0.0004","79.888","0.002","70.274","0.002","68.785","0.002","4719.5","0.2","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C140 H266 Gd6 N4 Ni6 O56 P6 -","- C140 H266 Gd6 N4 Ni6 O56 P6 -","- C140 H266 Gd6 N4 Ni6 O56 P6 -","1","0.5","","Eufemio Moreno Pineda; Floriana Tuna; Yan-Zhen Zheng; Richard E. P. Winpenny; Eric J. L. McInnes","Wells-Dawson Cages as Molecular Refrigerants","Inorganic Chemistry","2013","52","","13702","13707","10.1021/ic402296t","","","0.7107","MoKα","","0.0717","0.0574","","","0.1298","0.1362","","","","","","1.09","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336902","18.3716","0.0008","20.4859","0.0008","21.8809","0.0009","90","","94.926","0.004","90","","8204.7","0.6","100.15","","100.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C124 H188 Gd6 N2 Ni6 O56 P6 -","- C124 H188 Gd6 N2 Ni6 O56 P6 -","- C248 H376 Gd12 N4 Ni12 O112 P12 -","2","0.5","","Eufemio Moreno Pineda; Floriana Tuna; Yan-Zhen Zheng; Richard E. P. Winpenny; Eric J. L. McInnes","Wells-Dawson Cages as Molecular Refrigerants","Inorganic Chemistry","2013","52","","13702","13707","10.1021/ic402296t","","","0.7107","MoKα","","0.1441","0.0916","","","0.1854","0.2097","","","","","","1.107","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336903","16.6447","0.0004","20.5345","0.0004","25.1562","0.0006","84.006","0.0018","88.9737","0.0018","89.5098","0.0016","8549.6","0.3","128.4","0.1","128.4","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C120 H230 Ni6 O56 P6 Y6 -","- C120 H230 Ni6 O56 P6 Y6 -","- C240 H460 Ni12 O112 P12 Y12 -","2","1","","Eufemio Moreno Pineda; Floriana Tuna; Yan-Zhen Zheng; Richard E. P. Winpenny; Eric J. L. McInnes","Wells-Dawson Cages as Molecular Refrigerants","Inorganic Chemistry","2013","52","","13702","13707","10.1021/ic402296t","","","0.7107","MoKα","","0.117","0.0678","","","0.1708","0.2015","","","","","","1.026","","","","has coordinates,has disorder","179472","2020-10-21","18:00:00",""
"4336904","15.587","0.0007","16.0533","0.0007","16.3662","0.0007","104.895","0.004","101.521","0.004","100.704","0.004","3754.4","0.3","128.35","0.1","128.35","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C94 H176 N2 Ni6 O56 P6 Y6 -","- C94 H176 N2 Ni6 O56 P6 Y6 -","- C94 H176 N2 Ni6 O56 P6 Y6 -","1","0.5","","Eufemio Moreno Pineda; Floriana Tuna; Yan-Zhen Zheng; Richard E. P. Winpenny; Eric J. L. McInnes","Wells-Dawson Cages as Molecular Refrigerants","Inorganic Chemistry","2013","52","","13702","13707","10.1021/ic402296t","","","0.7107","MoKα","","0.1484","0.0733","","","0.1511","0.1867","","","","","","1.025","","","","has coordinates,has disorder","179472","2020-10-21","18:00:00",""
"4336905","16.2833","0.0009","17.5109","0.0015","18.3682","0.0009","81.023","0.006","70.241","0.005","69.087","0.007","4600.6","0.6","150.03","0.18","150.03","0.18","","","","","","","","6","P -1","-P 1","2","","","","- C132 H252 Ni6 O56 P6 Y6 -","- C132 H252 Ni6 O56 P6 Y6 -","- C132 H252 Ni6 O56 P6 Y6 -","1","0.5","","Eufemio Moreno Pineda; Floriana Tuna; Yan-Zhen Zheng; Richard E. P. Winpenny; Eric J. L. McInnes","Wells-Dawson Cages as Molecular Refrigerants","Inorganic Chemistry","2013","52","","13702","13707","10.1021/ic402296t","","","0.7107","MoKα","","0.2103","0.0931","","","0.2279","0.2952","","","","","","1.027","","","","has coordinates,has disorder","179472","2020-10-21","18:00:00",""
"4336906","8.472","0.001","10.434","0.001","10.952","0.002","105.676","0.004","107.831","0.004","96.116","0.009","868.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H29 Co N2 -","- C19 H29 Co N2 -","- C38 H58 Co2 N4 -","2","1","","Thomas Pugh; Samuel D. Cosham; Jeff A. Hamilton; Andrew J. Kingsley; Andrew L. Johnson","Cobalt(III) Diazabutadiene Precursors for Metal Deposition: Nanoparticle and Thin Film Growth","Inorganic Chemistry","2013","52","","13719","13729","10.1021/ic402317g","","","0.71073","MoKα","","0.0333","0.0291","","","0.067","0.0693","","","","","","1.04","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336907","7.858","0.0004","31.746","0.0018","9.062","0.0004","90","","112.482","0.003","90","","2088.8","0.19","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C25 H29 Co N2 -","- C25 H29 Co N2 -","- C100 H116 Co4 N8 -","4","1","","Thomas Pugh; Samuel D. Cosham; Jeff A. Hamilton; Andrew J. Kingsley; Andrew L. Johnson","Cobalt(III) Diazabutadiene Precursors for Metal Deposition: Nanoparticle and Thin Film Growth","Inorganic Chemistry","2013","52","","13719","13729","10.1021/ic402317g","","","0.71073","MoKα","","0.2204","0.0754","","","0.0861","0.1206","","","","","","1.018","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336908","17.9785","0.0011","13.9388","0.001","5.99","0.0004","90","","90","","90","","1501.09","0.17","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- As6 Ba Co2 H4 O14 -","- As6 Ba Co2 H4 O14 -","- As24 Ba4 Co8 H16 O56 -","4","0.5","","Rénald David; Houria Kabbour; Silviu Colis; Olivier Mentré","Slow Spin Dynamics between Ferromagnetic Chains in a Pure-Inorganic Framework","Inorganic Chemistry","2013","52","","13742","13750","10.1021/ic402336n","","","0.71073","MoKα","","0.0614","0.0485","","","0.0695","0.0707","","","","3.43","3.43","3.14","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4336909","7.42008","0.00006","7.42008","0.00006","7.42008","0.00006","90","","90","","90","","408.532","0.006","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 La O12 -","- Cu3 Fe4 La O12 -","- Cu6 Fe8 La2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00916","","","","","","0.00874","0.01172","1.0162","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336910","7.39474","0.00007","7.39474","0.00007","7.39474","0.00007","90","","90","","90","","404.361","0.007","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Pr -","- Cu3 Fe4 O12 Pr -","- Cu6 Fe8 O24 Pr2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42055","","","0.00919","","","","","","0.007","0.0125","1.0585","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336911","7.38247","0.00006","7.38247","0.00006","7.38247","0.00006","90","","90","","90","","402.351","0.006","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 Nd O12 -","- Cu3 Fe4 Nd O12 -","- Cu6 Fe8 Nd2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42039","","","0.01088","","","","","","0.0043","0.0182","1.1132","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336912","7.37561","0.00006","7.37561","0.00006","7.37561","0.00006","90","","90","","90","","401.23","0.006","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Sm -","- Cu3 Fe4 O12 Sm -","- Cu6 Fe8 O24 Sm2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42039","","","0.00748","","","","","","0.00367","0.01052","1.064","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336913","7.37306","0.00008","7.37306","0.00008","7.37306","0.00008","90","","90","","90","","400.814","0.008","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Eu Fe4 O12 -","- Cu3 Eu Fe4 O12 -","- Cu6 Eu2 Fe8 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42078","","","0.0094","","","","","","0.00861","0.01455","1.1247","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336914","7.37144","0.00009","7.37144","0.00009","7.37144","0.00009","90","","90","","90","","400.55","0.008","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 Gd O12 -","- Cu3 Fe4 Gd O12 -","- Cu6 Fe8 Gd2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42078","","","0.00646","","","","","","0.00648","0.01105","0.9849","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336915","7.36687","0.00008","7.36687","0.00008","7.36687","0.00008","90","","90","","90","","399.806","0.008","100","","100","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Tb -","- Cu3 Fe4 O12 Tb -","- Cu6 Fe8 O24 Tb2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42055","","","0.00685","","","","","","0.0067","0.01275","0.9567","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336916","7.29665","0.00005","7.29665","0.00005","7.29665","0.00005","90","","90","","90","","388.482","0.005","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Dy Fe4 O12 -","- Cu3 Dy Fe4 O12 -","- Cu6 Dy2 Fe8 O24 -","2","0.0833333","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42055","","","0.00624","","","","","","0.00624","0.00957","0.9518","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336917","7.2961","0.00006","7.2961","0.00006","7.2961","0.00006","90","","90","","90","","388.394","0.006","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Fe4 Ho O12 -","- Cu3 Fe4 Ho O12 -","- Cu6 Fe8 Ho2 O24 -","2","0.0833333","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42083","","","0.00661","","","","","","0.0066","0.01146","0.8853","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336918","7.29271","0.00006","7.29271","0.00006","7.29271","0.00006","90","","90","","90","","387.853","0.006","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Er Fe4 O12 -","- Cu3 Er Fe4 O12 -","- Cu6 Er2 Fe8 O24 -","2","0.0833333","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42083","","","0.00856","","","","","","0.00706","0.01436","0.9914","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336919","7.29208","0.00007","7.29208","0.00007","7.29208","0.00007","90","","90","","90","","387.752","0.006","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Fe4 O12 Tm -","- Cu3 Fe4 O12 Tm -","- Cu6 Fe8 O24 Tm2 -","2","0.0833333","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00646","","","","","","0.00639","0.01264","1.1081","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336920","7.28933","0.00006","7.28933","0.00006","7.28933","0.00006","90","","90","","90","","387.314","0.006","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Fe4 O12 Yb -","- Cu3 Fe4 O12 Yb -","- Cu6 Fe8 O24 Yb2 -","2","0.0833333","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00512","","","","","","0.00555","0.00814","1.0326","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336921","7.28577","0.00006","7.28577","0.00006","7.28577","0.00006","90","","90","","90","","386.746","0.006","100","","100","","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cu3 Fe4 Lu O12 -","- Cu3 Fe4 Lu O12 -","- Cu6 Fe8 Lu2 O24 -","2","0.0833333","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00495","","","","","","0.00495","0.01047","0.9012","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336922","7.42874","0.00006","7.42874","0.00006","7.42874","0.00006","90","","90","","90","","409.964","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 La O12 -","- Cu3 Fe4 La O12 -","- Cu6 Fe8 La2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00987","","","","","","0.00996","0.01372","1.0522","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336923","7.40361","0.00007","7.40361","0.00007","7.40361","0.00007","90","","90","","90","","405.817","0.007","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Pr -","- Cu3 Fe4 O12 Pr -","- Cu6 Fe8 O24 Pr2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42055","","","0.01036","","","","","","0.01103","0.01362","1.0636","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336924","7.34783","0.00006","7.34783","0.00006","7.34783","0.00006","90","","90","","90","","396.714","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 Nd O12 -","- Cu3 Fe4 Nd O12 -","- Cu6 Fe8 Nd2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42039","","","0.01317","","","","","","0.0143","0.01829","1.0819","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336925","7.33892","0.00006","7.33892","0.00006","7.33892","0.00006","90","","90","","90","","395.272","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Sm -","- Cu3 Fe4 O12 Sm -","- Cu6 Fe8 O24 Sm2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42039","","","0.00977","","","","","","0.00898","0.01375","1.0763","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336926","7.33641","0.00008","7.33641","0.00008","7.33641","0.00008","90","","90","","90","","394.867","0.007","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Eu Fe4 O12 -","- Cu3 Eu Fe4 O12 -","- Cu6 Eu2 Fe8 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42078","","","0.01288","","","","","","0.01253","0.01992","1.0509","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336927","7.33184","0.00009","7.33184","0.00009","7.33184","0.00009","90","","90","","90","","394.129","0.008","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 Gd O12 -","- Cu3 Fe4 Gd O12 -","- Cu6 Fe8 Gd2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42078","","","0.01033","","","","","","0.01018","0.01703","0.9679","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336928","7.32212","0.00006","7.32212","0.00006","7.32212","0.00006","90","","90","","90","","392.564","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Tb -","- Cu3 Fe4 O12 Tb -","- Cu6 Fe8 O24 Tb2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42055","","","0.00725","","","","","","0.00646","0.01028","0.9539","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336929","7.31441","0.00005","7.31441","0.00005","7.31441","0.00005","90","","90","","90","","391.325","0.005","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Dy Fe4 O12 -","- Cu3 Dy Fe4 O12 -","- Cu6 Dy2 Fe8 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42055","","","0.00826","","","","","","0.00755","0.01039","0.9285","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336930","7.31337","0.00006","7.31337","0.00006","7.31337","0.00006","90","","90","","90","","391.158","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 Ho O12 -","- Cu3 Fe4 Ho O12 -","- Cu6 Fe8 Ho2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42083","","","0.0092","","","","","","0.00843","0.0144","0.9238","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336931","7.31041","0.00006","7.31041","0.00006","7.31041","0.00006","90","","90","","90","","390.684","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Er Fe4 O12 -","- Cu3 Er Fe4 O12 -","- Cu6 Er2 Fe8 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42083","","","0.01091","","","","","","0.01007","0.01883","0.9938","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336932","7.3093","0.00007","7.3093","0.00007","7.3093","0.00007","90","","90","","90","","390.506","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Tm -","- Cu3 Fe4 O12 Tm -","- Cu6 Fe8 O24 Tm2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00755","","","","","","0.00688","0.01435","1.0662","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336933","7.30638","0.00006","7.30638","0.00006","7.30638","0.00006","90","","90","","90","","390.038","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 O12 Yb -","- Cu3 Fe4 O12 Yb -","- Cu6 Fe8 O24 Yb2 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00783","","","","","","0.00732","0.01339","0.9766","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336934","7.30335","0.00006","7.30335","0.00006","7.30335","0.00006","90","","90","","90","","389.553","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Cu3 Fe4 Lu O12 -","- Cu3 Fe4 Lu O12 -","- Cu6 Fe8 Lu2 O24 -","2","0.0416667","","Ikuya Yamada; Hidenobu Etani; Kazuki Tsuchida; Shohei Marukawa; Naoaki Hayashi; Takateru Kawakami; Masaichiro Mizumaki; Kenya Ohgushi; Yoshihiro Kusano; Jungeun Kim; Naruki Tsuji; Ryoji Takahashi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Mikio Takano","Control of Bond-Strain-Induced Electronic Phase Transitions in Iron Perovskites","Inorganic Chemistry","2013","52","","13751","13761","10.1021/ic402344m","powder diffraction","","0.42085","","","0.00586","","","","","","0.00581","0.01245","0.8868","","","","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336935","10.372","0.002","13.56","0.002","16.459","0.003","75.856","0.003","73.453","0.004","68.595","0.003","2040.2","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H35.67 B3 Co2 F12 N10 O3.34 -","- C32 H35 B3 Co2 F12 N10 O3.33 -","- C64 H70 B6 Co4 F24 N20 O6.66 -","2","1","","Yae In Cho; David M. Joseph; Michael J. Rose","""Criss-Crossed"" Dinucleating Behavior of an N4 Schiff Base Ligand: Formation of a μ-OH,μ-O2 Dicobalt(III) Core via O2 Activation","Inorganic Chemistry","2013","52","","13298","13300","10.1021/ic402391f","","","0.71073","MoKα","","0.0743","0.0634","","","0.1672","0.1761","","","","","","1.163","","","","has coordinates,has disorder","179472","2020-10-21","18:00:00",""
"4336936","10.4878","0.0012","13.613","0.002","16.729","0.002","75.92","0.003","73.078","0.002","68.687","0.002","2103.2","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H37 Cl3 Co2 N10 O16 -","- C32 H36 Cl3 Co2 N10 O16 -","- C64 H72 Cl6 Co4 N20 O32 -","2","1","","Yae In Cho; David M. Joseph; Michael J. Rose","""Criss-Crossed"" Dinucleating Behavior of an N4 Schiff Base Ligand: Formation of a μ-OH,μ-O2 Dicobalt(III) Core via O2 Activation","Inorganic Chemistry","2013","52","","13298","13300","10.1021/ic402391f","","","0.71075","MoKα","","0.0521","0.0455","","","0.1078","0.1113","","","","","","1.084","","","","has coordinates,has disorder","179472","2020-10-21","18:00:00",""
"4336937","10.851","0.006","14.736","0.007","23.5","0.03","90","","100.602","0.009","90","","3694","5","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H32 F36 Gd2 N8 Ni O14 -","- C62 H32 F36 Gd2 N8 Ni O14 -","- C124 H64 F72 Gd4 N16 Ni2 O28 -","2","0.5","","Atsushi Okazawa; Takashi Shimada; Norimichi Kojima; Shunsuke Yoshii; Hiroyuki Nojiri; Takayuki Ishida","Exchange Coupling and Its Chemical Trend Studied by High-Frequency EPR on Heterometallic [Ln2Ni] Complexes","Inorganic Chemistry","2013","52","","13351","13355","10.1021/ic402417h","","","0.71073","MoKα","","","0.034","","","","0.0456","","","","","","0.979","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336938","10.8639","0.0002","14.7524","0.0003","23.5802","0.0006","90","","100.65","0.0008","90","","3714.07","0.14","105","","105","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H32 F36 N8 Ni O14 Tb2 -","- C62 H32 F36 N8 Ni O14 Tb2 -","- C124 H64 F72 N16 Ni2 O28 Tb4 -","2","0.5","","Atsushi Okazawa; Takashi Shimada; Norimichi Kojima; Shunsuke Yoshii; Hiroyuki Nojiri; Takayuki Ishida","Exchange Coupling and Its Chemical Trend Studied by High-Frequency EPR on Heterometallic [Ln2Ni] Complexes","Inorganic Chemistry","2013","52","","13351","13355","10.1021/ic402417h","","","0.71073","MoKα","","","0.0342","","","","0.0309","","","","","","1.03","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336939","10.867","0.016","14.769","0.019","23.51","0.04","90","","100.51","0.13","90","","3710","10","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H32 F36 Ho2 N8 Ni O14 -","- C62 H32 F36 Ho2 N8 Ni O14 -","- C124 H64 F72 Ho4 N16 Ni2 O28 -","2","0.5","","Atsushi Okazawa; Takashi Shimada; Norimichi Kojima; Shunsuke Yoshii; Hiroyuki Nojiri; Takayuki Ishida","Exchange Coupling and Its Chemical Trend Studied by High-Frequency EPR on Heterometallic [Ln2Ni] Complexes","Inorganic Chemistry","2013","52","","13351","13355","10.1021/ic402417h","","","0.71073","MoKα","","","0.0689","","","","0.0871","","","","","","1.154","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336940","10.8618","0.0002","14.7511","0.0003","23.5701","0.0006","90","","100.439","0.0006","90","","3713.97","0.14","131","","131","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H32 F36 N8 Ni O14 Y2 -","- C62 H32 F36 N8 Ni O14 Y2 -","- C124 H64 F72 N16 Ni2 O28 Y4 -","2","0.5","","Atsushi Okazawa; Takashi Shimada; Norimichi Kojima; Shunsuke Yoshii; Hiroyuki Nojiri; Takayuki Ishida","Exchange Coupling and Its Chemical Trend Studied by High-Frequency EPR on Heterometallic [Ln2Ni] Complexes","Inorganic Chemistry","2013","52","","13351","13355","10.1021/ic402417h","","","0.71073","MoKα","","","0.0512","","","","0.031","","","","","","1.038","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336941","7.4877","0.0003","21.0835","0.0009","9.3737","0.0004","90","","92.086","0.002","90","","1478.82","0.11","147","2","147","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H12 Cl2 Te -","- C16 H12 Cl2 Te -","- C64 H48 Cl8 Te4 -","4","2","","Elisa I. Carrera; Theresa M. McCormick; Marius J. Kapp; Alan J. Lough; Dwight S. Seferos","Thermal and Photoreductive Elimination from the Tellurium Center of π-Conjugated Tellurophenes","Inorganic Chemistry","2013","52","","13779","13790","10.1021/ic402485d","","","1.54178","CuKα","","0.0251","0.0246","","","0.06","0.0613","","","","","","1.059","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336942","30.947","0.015","14.85","0.007","23.242","0.011","90","","107.758","0.009","90","","10172","8","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 F6 Fe N4 O6 S2 -","- C26 H38 F6 Fe N4 O6 S2 -","- C312 H456 F72 Fe12 N48 O72 S24 -","12","3","","Qiao Zhang; John D. Gorden; Christian R. Goldsmith","C-H Oxidation by H2O2 and O2 Catalyzed by a Non-Heme Iron Complex with a Sterically Encumbered Tetradentate N-Donor Ligand","Inorganic Chemistry","2013","52","","13546","13554","10.1021/ic402501k","","","0.71073","","","0.1444","0.0733","","","0.1807","0.2276","","","","","","0.969","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336943","11.1003","0.0002","21.0919","0.0005","40.3401","0.0008","90","0.003","90","0.004","90","0.004","9444.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H104 Fe7 O62.5 -","- C42 H63 Fe7 O62.5 -","- C168 H252 Fe28 O250 -","4","1","","M. Menelaou; E. Vournari; V. Psycharis; C. P. Raptopoulou; A. Terzis; V. Tangoulis; Y. Sanakis; C. Mateescu; A. Salifoglou","Heptanuclear Antiferromagnetic Fe(III)-d-(-)-Quinato Assemblies with an S= 3/2 Ground State-pH-Specific Synthetic Chemistry, Spectroscopic, Structural, and Magnetic Susceptibility Studies","Inorganic Chemistry","2013","52","","13849","13860","10.1021/ic401036e","","","0.71073","MoKα","","0.0548","0.049","","","0.1435","0.1491","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336944","16.2964","0.0003","16.2964","0.0003","18.6865","0.0003","90","","90","","120","","4297.76","0.13","180","2","180","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C42 H106 Fe7 N O68 S2 -","- C42 H66 Fe7 N O68 S2 -","- C84 H132 Fe14 N2 O136 S4 -","2","0.166667","","M. Menelaou; E. Vournari; V. Psycharis; C. P. Raptopoulou; A. Terzis; V. Tangoulis; Y. Sanakis; C. Mateescu; A. Salifoglou","Heptanuclear Antiferromagnetic Fe(III)-d-(-)-Quinato Assemblies with an S= 3/2 Ground State-pH-Specific Synthetic Chemistry, Spectroscopic, Structural, and Magnetic Susceptibility Studies","Inorganic Chemistry","2013","52","","13849","13860","10.1021/ic401036e","","","1.54178","CuKα","","0.0494","0.0446","","","0.1273","0.132","","","","","","1.068","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336945","16.038","0.0008","3.7533","0.0001","9.1982","0.0003","90","","101.414","0.003","90","","542.74","0.04","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- H2 O7 Ti3 -","- H2 O7 Ti3 -","- H8 O28 Ti12 -","4","0.5","","Kunimitsu Kataoka; Norihito Kijima; Junji Akimoto","Ion-Exchange Synthesis, Crystal Structure, and Physical Properties of Hydrogen Titanium Oxide H2Ti3O7","Inorganic Chemistry","2013","52","","13861","13864","10.1021/ic401144k","powder diffraction","neutron","1.8478","","","0.0108","0.0108","","0.026","0.026","","","","1.9008","","","","","","","has coordinates","288070","2023-12-06","12:51:07",""
"4336946","8.1165","0.0004","10.6126","0.0005","11.6382","0.0006","90","","107.224","0.003","90","","957.52","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H36 N2 Ni O2 -","- C18 H36 N2 Ni O2 -","- C36 H72 N4 Ni2 O4 -","2","0.5","","Derek Isrow; Nathan J. DeYonker; Anjaneyulu Koppaka; Perry J. Pellechia; Charles Edwin Webster; Burjor Captain","Metal-Ligand Synergistic Effects in the Complex Ni(η2-TEMPO)2: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2013","52","","13882","13893","10.1021/ic401296f","","","0.71073","MoKα","","0.036","0.0315","","","0.083","0.0879","","","","","","1.057","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336947","7.7242","0.0003","21.8142","0.0008","15.2535","0.0006","90","","92.041","0.007","90","","2568.54","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H45 N3 Ni O2 -","- C23 H45 N3 Ni O2 -","- C92 H180 N12 Ni4 O8 -","4","1","","Derek Isrow; Nathan J. DeYonker; Anjaneyulu Koppaka; Perry J. Pellechia; Charles Edwin Webster; Burjor Captain","Metal-Ligand Synergistic Effects in the Complex Ni(η2-TEMPO)2: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2013","52","","13882","13893","10.1021/ic401296f","","","0.71073","MoKα","","0.0258","0.0234","","","0.0581","0.059","","","","","","1.075","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336948","8.3519","0.0003","12.3164","0.0004","14.5401","0.0005","111.558","0.0005","95.888","0.0005","107.73","0.0004","1285.55","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H42 N2 Ni O2 -","- C26 H42 N2 Ni O2 -","- C52 H84 N4 Ni2 O4 -","2","1","","Derek Isrow; Nathan J. DeYonker; Anjaneyulu Koppaka; Perry J. Pellechia; Charles Edwin Webster; Burjor Captain","Metal-Ligand Synergistic Effects in the Complex Ni(η2-TEMPO)2: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2013","52","","13882","13893","10.1021/ic401296f","","","0.71073","MoKα","","0.0225","0.0217","","","0.0569","0.0574","","","","","","1.043","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336949","14.7413","0.0006","14.8196","0.0006","22.0621","0.0009","90","","90","","90","","4819.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H41 N3 Ni O2 -","- C23 H41 N3 Ni O2 -","- C184 H328 N24 Ni8 O16 -","8","1","","Derek Isrow; Nathan J. DeYonker; Anjaneyulu Koppaka; Perry J. Pellechia; Charles Edwin Webster; Burjor Captain","Metal-Ligand Synergistic Effects in the Complex Ni(η2-TEMPO)2: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2013","52","","13882","13893","10.1021/ic401296f","","","0.71073","MoKα","","0.0433","0.0296","","","0.0671","0.0733","","","","","","1.012","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336950","13.6684","0.0006","11.5267","0.0005","14.3518","0.0006","90","","92.658","0.0006","90","","2258.72","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 N2 Ni O2 -","- C20 H38 N2 Ni O2 -","- C80 H152 N8 Ni4 O8 -","4","1","","Derek Isrow; Nathan J. DeYonker; Anjaneyulu Koppaka; Perry J. Pellechia; Charles Edwin Webster; Burjor Captain","Metal-Ligand Synergistic Effects in the Complex Ni(η2-TEMPO)2: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2013","52","","13882","13893","10.1021/ic401296f","","","0.71073","MoKα","","0.0388","0.0307","","","0.0813","0.0874","","","","","","1.018","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336951","7.8725","0.0003","10.8105","0.0004","33.0125","0.0013","90","","93.253","0.001","90","","2805.02","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H46 N2 Ni O2 Si -","- C23 H46 N2 Ni O2 Si -","- C92 H184 N8 Ni4 O8 Si4 -","4","1","","Derek Isrow; Nathan J. DeYonker; Anjaneyulu Koppaka; Perry J. Pellechia; Charles Edwin Webster; Burjor Captain","Metal-Ligand Synergistic Effects in the Complex Ni(η2-TEMPO)2: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2013","52","","13882","13893","10.1021/ic401296f","","","0.71073","MoKα","","0.0542","0.0459","","","0.1231","0.129","","","","","","1.046","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336952","7.7421","0.0003","12.3093","0.0005","15.1659","0.0006","74.283","0.0005","77.757","0.0005","84.273","0.0006","1358.25","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 N2 Ni O2 -","- C28 H42 N2 Ni O2 -","- C56 H84 N4 Ni2 O4 -","2","1","","Derek Isrow; Nathan J. DeYonker; Anjaneyulu Koppaka; Perry J. Pellechia; Charles Edwin Webster; Burjor Captain","Metal-Ligand Synergistic Effects in the Complex Ni(η2-TEMPO)2: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2013","52","","13882","13893","10.1021/ic401296f","","","0.71073","MoKα","","0.0303","0.0275","","","0.0757","0.0776","","","","","","1.042","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336953","13.7972","0.0007","10.8726","0.0006","18.9646","0.0009","90","","101.396","0.001","90","","2788.8","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H90 N4 Ni2 O4 -","- C58 H90 N4 Ni2 O4 -","- C116 H180 N8 Ni4 O8 -","2","0.5","","Derek Isrow; Nathan J. DeYonker; Anjaneyulu Koppaka; Perry J. Pellechia; Charles Edwin Webster; Burjor Captain","Metal-Ligand Synergistic Effects in the Complex Ni(η2-TEMPO)2: Synthesis, Structures, and Reactivity","Inorganic Chemistry","2013","52","","13882","13893","10.1021/ic401296f","","","0.71073","MoKα","","0.0524","0.0376","","","0.0895","0.0979","","","","","","1.018","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336954","11.0227","0.0001","18.6158","0.0003","16.4947","0.0003","90","","94.6647","0.0006","90","","3373.44","0.09","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H80 N4 Ni4 O20 -","- C62 H72 N4 Ni4 O20 -","- C124 H144 N8 Ni8 O40 -","2","1","","Aloke Kumar Ghosh; Michael Shatruk; Valerio Bertolasi; Kausikisankar Pramanik; Debashis Ray","Self-Assembled Tetra- and Pentanuclear Nickel(II) Aggregates From Phenoxido-Based Ligand -Bound {Ni2} Fragments: Carboxylate Bridge Controlled Structures","Inorganic Chemistry","2013","52","","13894","13903","10.1021/ic401337q","","","0.71073","MoKα","","0.0508","0.0426","","","0.1154","0.1217","","","","","","1.06","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336955","11.8638","0.0008","16.5597","0.0011","19.494","0.0014","90","","90.9944","0.0019","90","","3829.2","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H106 N8 Ni5 O26 -","- C60 H102 N8 Ni5 O26 -","- C120 H204 N16 Ni10 O52 -","2","0.5","","Aloke Kumar Ghosh; Michael Shatruk; Valerio Bertolasi; Kausikisankar Pramanik; Debashis Ray","Self-Assembled Tetra- and Pentanuclear Nickel(II) Aggregates From Phenoxido-Based Ligand -Bound {Ni2} Fragments: Carboxylate Bridge Controlled Structures","Inorganic Chemistry","2013","52","","13894","13903","10.1021/ic401337q","","","0.71073","MoKα","","0.0783","0.0485","","","0.1251","0.1455","","","","","","1.016","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336956","17.8961","0.0013","14.1222","0.001","20.306","0.0015","90","","97.953","0.0018","90","","5082.6","0.6","295","","295","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 F12 N4 Ni4 O17 -","- C38 H44 F12 N4 Ni4 O17 -","- C152 H176 F48 N16 Ni16 O68 -","4","1","","Aloke Kumar Ghosh; Michael Shatruk; Valerio Bertolasi; Kausikisankar Pramanik; Debashis Ray","Self-Assembled Tetra- and Pentanuclear Nickel(II) Aggregates From Phenoxido-Based Ligand -Bound {Ni2} Fragments: Carboxylate Bridge Controlled Structures","Inorganic Chemistry","2013","52","","13894","13903","10.1021/ic401337q","","","0.71073","MoKα","","0.1178","0.0853","","","0.1792","0.195","","","","","","1.17","","","","has coordinates,has disorder","179472","2020-10-21","18:00:00",""
"4336957","8.8095","0.0018","10.143","0.002","19.025","0.004","102.28","0.03","102.24","0.03","91.75","0.03","1618.2","0.6","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H31 B Br2 Cl2 N4 Si2 -","- C21 H29 B Br2 N4 Si2 -","- C42 H58 B2 Br4 N8 Si4 -","2","1","","Gregory P. McGovern; Di Zhu; Adelia J. A. Aquino; Dragoslav Vidović; Michael Findlater","Synthesis and Characterization of Terpyridine-Supported Boron Cations: Evidence for Pentacoordination at Boron","Inorganic Chemistry","2013","52","","13865","13868","10.1021/ic401486y","","","0.71073","MoKα","","0.1882","0.1199","","","0.2829","0.3031","","","","","","1.277","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336958","12.479","0.003","17.648","0.004","18.995","0.004","96.88","0.03","98.89","0.03","91.36","0.03","4099.4","1.7","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C35 H20 B Cl2 F16 N5 O6 S2 -","- C35 H20 B Cl2 F16 N5 O6 S2 -","- C140 H80 B4 Cl8 F64 N20 O24 S8 -","4","2","","Gregory P. McGovern; Di Zhu; Adelia J. A. Aquino; Dragoslav Vidović; Michael Findlater","Synthesis and Characterization of Terpyridine-Supported Boron Cations: Evidence for Pentacoordination at Boron","Inorganic Chemistry","2013","52","","13865","13868","10.1021/ic401486y","","","0.71073","MoKα","","0.26","0.1461","","","0.2966","0.3258","","","","","","1.469","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336959","15.7351","0.0006","16.0529","0.0003","25.512","0.001","90","","106.433","0.005","90","","6180.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C99 H33 Cl2 Co N P2 -","- C99 H33 Cl2 Co N P2 -","- C396 H132 Cl8 Co4 N4 P8 -","4","1","","Dmitri V. Konarev; Salavat S. Khasanov; Sergey I. Troyanov; Yoshiaki Nakano; Ksenya A. Ustimenko; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Mononuclear Coordination Complexes of Fullerene C60 with Zerovalent Cobalt Having S = 1/2 Spin State: Co(η2-C60)(L)(C6H5CN).(o-C6H4Cl2) (L = 1,2-bis(diphenylphosphino)ethane and 1,1'-bis(diphenylphosphino)ferrocene)","Inorganic Chemistry","2013","52","","13934","13940","10.1021/ic401577m","","","0.85507","synchrotron","","0.0507","0.0483","","","0.1267","0.1283","","","","","","1.014","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336960","13.3142","0.0015","14.8668","0.0015","20.051","0.002","94.646","0.01","106.285","0.01","116.348","0.01","3315.1","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C107 H37 Cl2 Co Fe N P2 -","- C107 H37 Cl2 Co Fe N P2 -","- C214 H74 Cl4 Co2 Fe2 N2 P4 -","2","1","","Dmitri V. Konarev; Salavat S. Khasanov; Sergey I. Troyanov; Yoshiaki Nakano; Ksenya A. Ustimenko; Akihiro Otsuka; Hideki Yamochi; Gunzi Saito; Rimma N. Lyubovskaya","Mononuclear Coordination Complexes of Fullerene C60 with Zerovalent Cobalt Having S = 1/2 Spin State: Co(η2-C60)(L)(C6H5CN).(o-C6H4Cl2) (L = 1,2-bis(diphenylphosphino)ethane and 1,1'-bis(diphenylphosphino)ferrocene)","Inorganic Chemistry","2013","52","","13934","13940","10.1021/ic401577m","","","0.71073","MoKα","","0.0754","0.0504","","","0.1278","0.1477","","","","","","1.042","","","","has coordinates,has disorder","179472","2020-10-21","18:00:00",""
"4336961","11.434","0.005","16.08","0.005","20.049","0.005","109.025","0.005","98.018","0.005","97.341","0.005","3391","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C83 H54 Cl2 N10 O9 Ru -","- C83 H54 Cl2 N10 O9 Ru -","- C166 H108 Cl4 N20 O18 Ru2 -","2","1","","Dinesh Maity; Chanchal Bhaumik; Debiprasad Mondal; Sujoy Baitalik","Ru(II) and Os(II) Complexes Based on Terpyridyl-Imidazole Ligand Rigidly Linked to Pyrene: Synthesis, Structure, Photophysics, Electrochemistry, and Anion-Sensing Studies","Inorganic Chemistry","2013","52","","13941","13955","10.1021/ic401582m","","","0.71073","MoKα","","0.1142","0.0744","","","0.2035","0.2223","","","","","","1.138","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336962","9.417","0.005","13.291","0.005","23.144","0.005","106.289","0.005","96.429","0.005","97.578","0.005","2722.2","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H36 Cl2 N10 O2 Ru -","- C58 H36 Cl2 N10 O2 Ru -","- C116 H72 Cl4 N20 O4 Ru2 -","2","1","","Dinesh Maity; Chanchal Bhaumik; Debiprasad Mondal; Sujoy Baitalik","Ru(II) and Os(II) Complexes Based on Terpyridyl-Imidazole Ligand Rigidly Linked to Pyrene: Synthesis, Structure, Photophysics, Electrochemistry, and Anion-Sensing Studies","Inorganic Chemistry","2013","52","","13941","13955","10.1021/ic401582m","","","0.71073","MoKα","","0.0745","0.0624","","","0.2101","0.2223","","","","","","0.993","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336963","12.4348","0.0014","16.158","0.0019","21.724","0.003","90","","106.501","0.002","90","","4185.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Mn2LAc](ClO4)","","","- C75 H109 Cl2 Mn4 N13 O17 -","- C75 H109 Cl2 Mn4 N13 O17 -","- C150 H218 Cl4 Mn8 N26 O34 -","2","0.5","","Subhadeep Kal; Alexander S. Filatov; Peter H. Dinolfo","Structural, Electrochemical, and Spectroscopic Investigation of Acetate Bridged Dinuclear Tetrakis-Schiff Base Macrocycles of Mn and Zn","Inorganic Chemistry","2013","52","","13963","13973","10.1021/ic401631e","","","0.71073","Mo-Kα","","0.0407","0.0346","","","0.0884","0.0924","","","","","","1.014","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336964","12.29","0.002","16.324","0.003","21.628","0.004","90","","106.093","0.003","90","","4169","1.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H51 F6 N6 O4 P Zn2 -","- C36 H51 F6 N6 O4 P Zn2 -","- C144 H204 F24 N24 O16 P4 Zn8 -","4","1","","Subhadeep Kal; Alexander S. Filatov; Peter H. Dinolfo","Structural, Electrochemical, and Spectroscopic Investigation of Acetate Bridged Dinuclear Tetrakis-Schiff Base Macrocycles of Mn and Zn","Inorganic Chemistry","2013","52","","13963","13973","10.1021/ic401631e","","","0.71073","Mo-Kα","","0.0559","0.0429","","","0.1084","0.1145","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336965","12.3901","0.0015","16.1","0.002","21.389","0.003","90","","106.381","0.002","90","","4093.5","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Mn2LAc](ClO4)","","","- C74 H105 Cl2 Mn4 N13 O16 -","- C74 H105 Cl2 Mn4 N13 O16 -","- C148 H210 Cl4 Mn8 N26 O32 -","2","0.5","","Subhadeep Kal; Alexander S. Filatov; Peter H. Dinolfo","Structural, Electrochemical, and Spectroscopic Investigation of Acetate Bridged Dinuclear Tetrakis-Schiff Base Macrocycles of Mn and Zn","Inorganic Chemistry","2013","52","","13963","13973","10.1021/ic401631e","","","0.71073","Mo-Kα","","0.1001","0.0513","","","0.0963","0.111","","","","","","1.075","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4336966","8.975","0.0018","22.519","0.005","14.075","0.003","90","","101.92","0.03","90","","2783.3","1.1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl3 N2 Rh S -","- C27 H30 Cl3 N2 Rh S -","- C108 H120 Cl12 N8 Rh4 S4 -","4","1","","Rakesh Kumar Gupta; Gunjan Sharma; Rampal Pandey; Amit Kumar; Biplob Koch; Pei-Zhou Li; Qiang Xu; Daya Shankar Pandey","DNA/Protein Binding, Molecular Docking, and in Vitro Anticancer Activity of Some Thioether-Dipyrrinato Complexes","Inorganic Chemistry","2013","52","","13984","13996","10.1021/ic401662d","","","0.71073","MoKα","","0.0991","0.0668","","","0.1543","0.1723","","","","","","1.018","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336967","11.3533","0.0015","11.4578","0.0015","12.932","0.003","109.471","0.002","101.616","0.002","112.42","0.002","1358","0.4","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C40 H58 Ag4 N16 O9 S2 -","- C40 H56 Ag4 N16 O9 S2 -","- C40 H56 Ag4 N16 O9 S2 -","1","1","","Li-Yun Du; Wen-Juan Shi; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi; Zhonghua Zhu","Solvent or Temperature Induced Diverse Coordination Polymers of Silver(I) Sulfate and Bipyrazole Systems: Syntheses, Crystal Structures, Luminescence, and Sorption Properties","Inorganic Chemistry","2013","52","","14018","14027","10.1021/ic401765r","","","0.71073","MoKα","","0.0672","0.0532","","","0.1381","0.1536","","","","","","1.05","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336968","10.0707","0.0009","24.215","0.003","26.085","0.003","90","","90","","90","","6361.1","1.2","296","2","296","2","","","","","","","","6","C c c a :2","-C 2a 2ac","68","","","","- C20 H34 Ag2 N8 O7 S -","- C20 H34 Ag2 N8 O7 S -","- C160 H272 Ag16 N64 O56 S8 -","8","0.5","","Li-Yun Du; Wen-Juan Shi; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi; Zhonghua Zhu","Solvent or Temperature Induced Diverse Coordination Polymers of Silver(I) Sulfate and Bipyrazole Systems: Syntheses, Crystal Structures, Luminescence, and Sorption Properties","Inorganic Chemistry","2013","52","","14018","14027","10.1021/ic401765r","","","0.71073","MoKα","","0.0961","0.0547","","","0.1454","0.17","","","","","","1.035","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336969","20.012","0.0017","20.012","0.0017","25.273","0.003","90","","90","","120","","8765.3","1.5","296","2","296","2","","","","","","","","6","P 3 c 1","P 3 -2""c","158","","","","- C40 H56 Ag3 N16 O2.67 S0.67 -","- C40 H56 Ag3 N16 O2.66667 S0.666667 -","- C240 H336 Ag18 N96 O16 S4 -","6","1","","Li-Yun Du; Wen-Juan Shi; Lei Hou; Yao-Yu Wang; Qi-Zhen Shi; Zhonghua Zhu","Solvent or Temperature Induced Diverse Coordination Polymers of Silver(I) Sulfate and Bipyrazole Systems: Syntheses, Crystal Structures, Luminescence, and Sorption Properties","Inorganic Chemistry","2013","52","","14018","14027","10.1021/ic401765r","","","0.71073","MoKα","","0.1139","0.0704","","","0.1576","0.18","","","","","","1.007","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336970","10.6278","0.0006","10.6429","0.0006","19.9819","0.0012","76.261","0.001","82.228","0.001","87.064","0.001","2174.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H42 Mo6 N6 O35 Se -","- C15 H24 Mo6 N6 O35 Se -","- C30 H48 Mo12 N12 O70 Se2 -","2","1","","Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu","Controlled Assembly of Inorganic-Organic Frameworks Based on [SeMo6O21]4- Polyanion","Inorganic Chemistry","2013","52","","14034","14039","10.1021/ic401804e","","","0.71073","MoKα","","0.0538","0.046","","","0.1318","0.1392","","","","","","1.033","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336971","11.9029","0.0004","13.8995","0.0005","22.6008","0.0008","96.057","0.001","98.763","0.001","100.213","0.001","3603.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H57 Mo12 N9 O64 Se2 -","- C6 Mo12 N9 O64 Se2 -","- C12 Mo24 N18 O128 Se4 -","2","1","","Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu","Controlled Assembly of Inorganic-Organic Frameworks Based on [SeMo6O21]4- Polyanion","Inorganic Chemistry","2013","52","","14034","14039","10.1021/ic401804e","","","0.71073","MoKα","","0.0474","0.0355","","","0.1001","0.1059","","","","","","1.039","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336972","11.329","0.005","16.31","0.008","23.618","0.011","86.496","0.009","77.384","0.008","71.585","0.008","4040","3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H82 Mo12 N10 O69 Se2 -","- C12 H12 Mo12 N10 O69 Se2 -","- C24 H24 Mo24 N20 O138 Se4 -","2","1","","Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu","Controlled Assembly of Inorganic-Organic Frameworks Based on [SeMo6O21]4- Polyanion","Inorganic Chemistry","2013","52","","14034","14039","10.1021/ic401804e","","","0.71073","MoKα","","0.0898","0.0481","","","0.1089","0.1205","","","","","","1.016","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336973","18.3195","0.001","27.2576","0.0015","19.4976","0.0011","90","","114.591","0.001","90","","8853","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H80 Mo12 N10 O62 Se2 -","- C18 H24 Mo12 N10 O62 Se2 -","- C72 H96 Mo48 N40 O248 Se8 -","4","1","","Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu","Controlled Assembly of Inorganic-Organic Frameworks Based on [SeMo6O21]4- Polyanion","Inorganic Chemistry","2013","52","","14034","14039","10.1021/ic401804e","","","0.71073","MoKα","","0.0874","0.0537","","","0.173","0.1931","","","","","","1.08","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336974","24.247","0.006","16.319","0.004","22.904","0.006","90","","114.664","0.005","90","","8236","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H96 Mo12 N10 O64 Se2 -","- C24 H36 Mo12 N10 O64 Se2 -","- C96 H144 Mo48 N40 O256 Se8 -","4","1","","Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu","Controlled Assembly of Inorganic-Organic Frameworks Based on [SeMo6O21]4- Polyanion","Inorganic Chemistry","2013","52","","14034","14039","10.1021/ic401804e","","","0.71073","MoKα","","0.167","0.0667","","","0.1232","0.1455","","","","","","1.001","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336975","16.6345","0.0016","22.046","0.002","22.65","0.004","107.116","0.003","91.14","0.003","111.423","0.002","7313.8","1.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H210 Mo36 N42 O192 Se6 -","- C70 H30 Mo36 N42 O192 Se6 -","- C70 H30 Mo36 N42 O192 Se6 -","1","0.5","","Donghui Yang; Suzhi Li; Pengtao Ma; Jingping Wang; Jingyang Niu","Controlled Assembly of Inorganic-Organic Frameworks Based on [SeMo6O21]4- Polyanion","Inorganic Chemistry","2013","52","","14034","14039","10.1021/ic401804e","","","0.71073","MoKα","","0.2214","0.0797","","","0.1617","0.191","","","","","","1.011","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336976","7.6267","0.0004","22.0463","0.0012","13.976","0.0008","90","","103.286","0.001","90","","2287","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl4 Co N6 -","- C22 H16 Cl4 Co N6 -","- C88 H64 Cl16 Co4 N24 -","4","1","","Pradip Ghosh; Subhas Samanta; Suman K Roy; Sucheta Joy; Tobias Krämer; John E. McGrady; Sreebrata Goswami","Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-Based Redox Processes in Cobalt Complexes","Inorganic Chemistry","2013","52","","14040","14049","10.1021/ic4018079","","","0.71073","MoKα","","0.0411","0.0299","","","0.0762","0.0863","","","","","","0.697","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336977","19.276","0.002","8.513","0.0011","16.017","0.002","90","","109.519","0.003","90","","2477.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl Co N6 -","- C26 H26 Cl Co N6 -","- C104 H104 Cl4 Co4 N24 -","4","1","","Pradip Ghosh; Subhas Samanta; Suman K Roy; Sucheta Joy; Tobias Krämer; John E. McGrady; Sreebrata Goswami","Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-Based Redox Processes in Cobalt Complexes","Inorganic Chemistry","2013","52","","14040","14049","10.1021/ic4018079","","","0.71073","MoKα","","0.0478","0.0374","","","0.1092","0.1209","","","","","","0.736","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336978","13.346","0.005","13.8","0.005","14.367","0.005","90","0.005","105.227","0.005","90","0.005","2553.1","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Cl6 Co N6 -","- C22 H14 Cl6 Co N6 -","- C88 H56 Cl24 Co4 N24 -","4","0.5","","Pradip Ghosh; Subhas Samanta; Suman K Roy; Sucheta Joy; Tobias Krämer; John E. McGrady; Sreebrata Goswami","Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-Based Redox Processes in Cobalt Complexes","Inorganic Chemistry","2013","52","","14040","14049","10.1021/ic4018079","","","0.71073","MoKα","","0.055","0.0421","","","0.1073","0.1172","","","","","","1.027","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336979","14.09","0.005","14.745","0.005","23.495","0.005","90","0.005","90","0.005","90","0.005","4881","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H14 Cl5 Co N6 -","- C22 H14 Cl5 Co N6 -","- C176 H112 Cl40 Co8 N48 -","8","1","","Pradip Ghosh; Subhas Samanta; Suman K Roy; Sucheta Joy; Tobias Krämer; John E. McGrady; Sreebrata Goswami","Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-Based Redox Processes in Cobalt Complexes","Inorganic Chemistry","2013","52","","14040","14049","10.1021/ic4018079","","","0.71073","MoKα","","0.052","0.033","","","0.0746","0.0825","","","","","","1.034","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336980","13.244","0.007","21.071","0.01","23.312","0.012","90","","93.632","0.015","90","","6492","6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H56 Cl6 Co2 F12 N12 P2 -","- C54 H56 Cl6 Co2 F12 N12 P2 -","- C216 H224 Cl24 Co8 F48 N48 P8 -","4","1","","Pradip Ghosh; Subhas Samanta; Suman K Roy; Sucheta Joy; Tobias Krämer; John E. McGrady; Sreebrata Goswami","Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-Based Redox Processes in Cobalt Complexes","Inorganic Chemistry","2013","52","","14040","14049","10.1021/ic4018079","","","0.71073","MoKα","","0.0813","0.0605","","","0.1734","0.1911","","","","","","0.95","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336981","8.02","0.0006","16.8828","0.0013","37.398","0.003","90","","90","","90","","5063.7","0.7","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C27 H29 Co N6 -","- C27 H29 Co N6 -","- C216 H232 Co8 N48 -","8","2","","Pradip Ghosh; Subhas Samanta; Suman K Roy; Sucheta Joy; Tobias Krämer; John E. McGrady; Sreebrata Goswami","Redox Noninnocence in Coordinated 2-(Arylazo)pyridines: Steric Control of Ligand-Based Redox Processes in Cobalt Complexes","Inorganic Chemistry","2013","52","","14040","14049","10.1021/ic4018079","","","0.71073","MoKα","","0.0502","0.0389","","","0.1131","0.1308","","","","","","0.846","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336982","19.629","0.003","8.489","0.0014","21.115","0.003","90","","90","","90","","3518.4","0.9","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H15 F12 Fe0.5 N2 O2 -","- C12 H15 F12 Fe0.5 N2 O2 -","- C96 H120 F96 Fe4 N16 O16 -","8","1","","Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes","Inorganic Chemistry","2013","52","","14050","14063","10.1021/ic401837y","","","0.71073","MoKα","","0.0644","0.0398","","","0.0838","0.0949","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4336983","21.2586","0.0013","8.2481","0.0006","18.8198","0.0012","90","","115.402","0.002","90","","2980.9","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H24 Co F24 N2 O4 -","- C20 H24 Co F24 N2 O4 -","- C80 H96 Co4 F96 N8 O16 -","4","1","","Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes","Inorganic Chemistry","2013","52","","14050","14063","10.1021/ic401837y","","","0.71073","MoKα","","0.0675","0.053","","","0.1304","0.1371","","","","","","1.102","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336984","9.5141","0.0009","14.5636","0.0014","20.004","0.002","90","","96.482","0.001","90","","2754","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Co F24 N2 O4 -","- C44 H72 Co F24 N2 O4 -","- C88 H144 Co2 F48 N4 O8 -","2","0.5","","Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes","Inorganic Chemistry","2013","52","","14050","14063","10.1021/ic401837y","","","0.71073","MoKα","","0.1105","0.1001","","","0.2739","0.2855","","","","","","1.034","","","","has coordinates,has disorder","179472","2020-10-21","18:00:00",""
"4336985","10.9133","0.0006","18.093","0.0009","11.7857","0.0007","90","","96.89","0.002","90","","2310.3","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 F24 K2 Ni O12 -","- C28 H40 F24 K2 Ni O12 -","- C56 H80 F48 K4 Ni2 O24 -","2","0.5","","Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes","Inorganic Chemistry","2013","52","","14050","14063","10.1021/ic401837y","","","0.71073","MoKα","","0.032","0.0266","","","0.0644","0.067","","","","","","1.07","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336986","20.38","0.007","11.21","0.003","10.697","0.003","90","","90","","90","","2443.8","1.3","100","2","100","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C12 H6 Cu F24 K2 O8 -","- C12 H6 Cu F24 K2 O8 -","- C48 H24 Cu4 F96 K8 O32 -","4","","","Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes","Inorganic Chemistry","2013","52","","14050","14063","10.1021/ic401837y","","","0.71073","MoKα","","0.0426","0.041","","","0.1084","0.1102","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336987","11.019","0.008","18.149","0.013","11.924","0.009","90","","96.941","0.01","90","","2367","3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cu F24 K2 O12 -","- C28 H40 Cu F24 K2 O12 -","- C56 H80 Cu2 F48 K4 O24 -","2","0.5","","Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes","Inorganic Chemistry","2013","52","","14050","14063","10.1021/ic401837y","","","0.71073","MoKα","","0.0504","0.0394","","","0.1051","0.1151","","","","","","1.043","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336988","19.7604","0.0012","8.4356","0.0005","21.171","0.0013","90","","90","","90","","3529","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H15 Cu0.5 F12 N2 O2 -","- C12 H15 Cu0.5 F12 N2 O2 -","- C96 H120 Cu4 F96 N16 O16 -","8","1","","Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes","Inorganic Chemistry","2013","52","","14050","14063","10.1021/ic401837y","","","0.71073","MoKα","","0.1176","0.1036","","","0.2774","0.2922","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4336989","11.888","0.001","11.7632","0.0009","39.823","0.003","90","","90","","90","","5568.9","0.8","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H14 F24 K2 O11 Zn -","- C12 H14 F24 K2 O11 Zn -","- C96 H112 F192 K16 O88 Zn8 -","8","1","","Laleh Tahsini; Sarah E. Specht; June S. Lum; Joshua J. M. Nelson; Alexandra F. Long; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer","Structural and Electronic Properties of Old and New A2[M(pinF)2] Complexes","Inorganic Chemistry","2013","52","","14050","14063","10.1021/ic401837y","","","0.71073","MoKα","","0.0378","0.0274","","","0.0659","0.0709","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336990","26.596","0.004","16.226","0.003","25.392","0.004","90","","91.841","0.008","90","","10952","3","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C98 H126 Cl2 N6 O15 Pb -","- C98 H126 N6 O7 Pb -","- C392 H504 N24 O28 Pb4 -","4","1","","Diana Over; Xianshun Zeng; Claudia Bornholdt; Jérôme Marrot; Olivia Reinaud","Coordination of Lead(II) in the Supramolecular Environment Provided by a ""Two-Story"" Calix[6]arene-based N6 Ligand","Inorganic Chemistry","2013","52","","14089","14095","10.1021/ic4018486","","","0.71073","MoKα","","0.2137","0.1705","","","0.4285","0.4468","","","","","","1.175","","","","has coordinates,has disorder","179472","2020-10-21","18:00:00",""
"4336991","26.118","0.003","16.0159","0.0018","25.074","0.002","90","","92.313","0.005","90","","10480","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H122 Cl2 N6 O15 Pb -","- C96 H120 Cl N6 O11 Pb -","- C384 H480 Cl4 N24 O44 Pb4 -","4","1","","Diana Over; Xianshun Zeng; Claudia Bornholdt; Jérôme Marrot; Olivia Reinaud","Coordination of Lead(II) in the Supramolecular Environment Provided by a ""Two-Story"" Calix[6]arene-based N6 Ligand","Inorganic Chemistry","2013","52","","14089","14095","10.1021/ic4018486","","","0.71073","MoKα","","0.2394","0.1095","","","0.259","0.2858","","","","","","1.07","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336992","14.608","0.006","14.846","0.006","14.976","0.006","90","","97.704","0.008","90","","3219","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 N6 O4 V -","- C38 H30 N6 O4 V -","- C152 H120 N24 O16 V4 -","4","1","","Subhashree P. Dash; Sagarika Pasayat; Saswati Bhakat; Satabdi Roy; Rupam Dinda; Edward R. T. Tiekink; Subhadip Mukhopadhyay; Sujit K. Bhutia; Manasi R. Hardikar; Bimba N. Joshi; Yogesh P. Patil; M. Nethaji","Highly Stable Hexacoordinated Nonoxidovanadium(IV) Complexes of Sterically Constrained Ligands: Syntheses, Structure, and Study of Antiproliferative and Insulin Mimetic Activity","Inorganic Chemistry","2013","52","","14096","14107","10.1021/ic401866x","","","0.71073","MoKα","","0.1435","0.0616","","","0.1206","0.1578","","","","","","1.018","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336993","14.711","0.004","14.697","0.004","15.068","0.004","90","","96.59","0.004","90","","3236.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 N4 O6 V -","- C38 H28 N4 O6 V -","- C152 H112 N16 O24 V4 -","4","1","","Subhashree P. Dash; Sagarika Pasayat; Saswati Bhakat; Satabdi Roy; Rupam Dinda; Edward R. T. Tiekink; Subhadip Mukhopadhyay; Sujit K. Bhutia; Manasi R. Hardikar; Bimba N. Joshi; Yogesh P. Patil; M. Nethaji","Highly Stable Hexacoordinated Nonoxidovanadium(IV) Complexes of Sterically Constrained Ligands: Syntheses, Structure, and Study of Antiproliferative and Insulin Mimetic Activity","Inorganic Chemistry","2013","52","","14096","14107","10.1021/ic401866x","","","0.71073","MoKα","","0.1458","0.071","","","0.1376","0.1736","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336994","13.807","0.007","23.851","0.012","10.249","0.005","90","","106.571","0.01","90","","3235","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 N4 O4 V -","- C38 H28 N4 O4 V -","- C152 H112 N16 O16 V4 -","4","1","","Subhashree P. Dash; Sagarika Pasayat; Saswati Bhakat; Satabdi Roy; Rupam Dinda; Edward R. T. Tiekink; Subhadip Mukhopadhyay; Sujit K. Bhutia; Manasi R. Hardikar; Bimba N. Joshi; Yogesh P. Patil; M. Nethaji","Highly Stable Hexacoordinated Nonoxidovanadium(IV) Complexes of Sterically Constrained Ligands: Syntheses, Structure, and Study of Antiproliferative and Insulin Mimetic Activity","Inorganic Chemistry","2013","52","","14096","14107","10.1021/ic401866x","","","0.71073","MoKα","","0.224","0.0743","","","0.1332","0.1964","","","","","","0.97","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336995","14.4883","0.0003","12.4162","0.0003","14.3661","0.0003","90","","109.604","0.001","90","","2434.51","0.09","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Ag3 N14 O12 -","- C13 H9 Ag3 N14 O12 -","- C52 H36 Ag12 N56 O48 -","4","0.5","","Rossana Galassi; Simone Ricci; Alfredo Burini; Alceo Macchioni; Luca Rocchigiani; Fabio Marmottini; Sammer M. Tekarli; Vladimir N. Nesterov; Mohammad A. Omary","Solventless Supramolecular Chemistry via Vapor Diffusion of Volatile Small Molecules upon a New Trinuclear Silver(I)-Nitrated Pyrazolate Macrometallocyclic Solid: An Experimental/Theoretical Investigation of the Dipole/Quadrupole Chemisorption Phenomena","Inorganic Chemistry","2013","52","","14124","14137","10.1021/ic401948p","","","0.71073","MoKα","","0.0134","0.0127","","","0.0399","0.0404","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4336996","8.5731","0.0003","12.244","0.0005","13.8489","0.0005","90.032","0.001","91.937","0.001","98.991","0.002","1435","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Ag4 N18 O16 -","- C12 H10 Ag4 N18 O16 -","- C24 H20 Ag8 N36 O32 -","2","1","","Rossana Galassi; Simone Ricci; Alfredo Burini; Alceo Macchioni; Luca Rocchigiani; Fabio Marmottini; Sammer M. Tekarli; Vladimir N. Nesterov; Mohammad A. Omary","Solventless Supramolecular Chemistry via Vapor Diffusion of Volatile Small Molecules upon a New Trinuclear Silver(I)-Nitrated Pyrazolate Macrometallocyclic Solid: An Experimental/Theoretical Investigation of the Dipole/Quadrupole Chemisorption Phenomena","Inorganic Chemistry","2013","52","","14124","14137","10.1021/ic401948p","","","0.71073","MoKα","","0.0232","0.0199","","","0.0455","0.0471","","","","","","1.025","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336997","6.75","0.0007","6.8991","0.0007","7.423","0.0007","92.191","0.001","101.67","0.001","118.811","0.001","292.9","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- Cl4 H4 O4 Rb2 U -","- Cl4 H4 O4 Rb2 U -","- Cl4 H4 O4 Rb2 U -","1","0.5","","David D. Schnaars; Richard E. Wilson","Structural and Vibrational Properties of U(VI)O2Cl42- and Pu(VI)O2Cl42- Complexes","Inorganic Chemistry","2013","52","","14138","14147","10.1021/ic401991n","","","0.71073","MoKα","","0.0204","0.0194","","","0.0441","0.0445","","","","","","1.143","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336998","11.829","0.005","7.648","0.003","5.781","0.002","90","","100.385","0.004","90","","514.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl4 Cs2 O2 U -","- Cl4 Cs2 O2 U -","- Cl8 Cs4 O4 U2 -","2","0.25","","David D. Schnaars; Richard E. Wilson","Structural and Vibrational Properties of U(VI)O2Cl42- and Pu(VI)O2Cl42- Complexes","Inorganic Chemistry","2013","52","","14138","14147","10.1021/ic401991n","","","0.71073","MoKα","","0.0343","0.034","","","0.0963","0.0968","","","","","","1.079","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4336999","9.1341","0.001","9.1341","0.001","11.3712","0.0012","90","","90","","90","","948.72","0.18","100","2","100","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C8 H24 Cl4 N2 O2 U -","- C8 H24 Cl4 N2 O2 U -","- C16 H48 Cl8 N4 O4 U2 -","2","0.125","","David D. Schnaars; Richard E. Wilson","Structural and Vibrational Properties of U(VI)O2Cl42- and Pu(VI)O2Cl42- Complexes","Inorganic Chemistry","2013","52","","14138","14147","10.1021/ic401991n","","","0.71073","MoKα","","0.0346","0.0207","","","0.0481","0.0525","","","","","","1.126","","","","has coordinates","179472","2020-10-21","18:00:00",""
"4337000","11.383","0.003","7.534","0.002","5.5028","0.0014","90","","94.959","0.003","90","","470.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl4 O2 Pu Rb2 -","- Cl4 O2 Pu Rb2 -","- Cl8 O4 Pu2 Rb4 -","2","0.25","","David D. Schnaars; Richard E. Wilson","Structural and Vibrational Properties of U(VI)O2Cl42- and Pu(VI)O2Cl42- Complexes","Inorganic Chemistry","2013","52","","14138","14147","10.1021/ic401991n","","","0.71073","MoKα","","0.0297","0.0291","","","0.0758","0.0762","","","","","","1.171","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337001","11.785","0.002","7.6934","0.0013","5.7285","0.001","90","","97.856","0.002","90","","514.51","0.15","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl4 Cs2 O2 Pu -","- Cl4 Cs2 O2 Pu -","- Cl8 Cs4 O4 Pu2 -","2","0.25","","David D. Schnaars; Richard E. Wilson","Structural and Vibrational Properties of U(VI)O2Cl42- and Pu(VI)O2Cl42- Complexes","Inorganic Chemistry","2013","52","","14138","14147","10.1021/ic401991n","","","0.71073","MoKα","","0.0191","0.0189","","","0.0488","0.049","","","","","","1.323","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337002","9.0962","0.0013","9.0962","0.0013","11.4129","0.0017","90","","90","","90","","944.3","0.2","100","2","100","2","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C8 H24 Cl4 N2 O2 Pu -","- C8 H24 Cl4 N2 O2 Pu -","- C16 H48 Cl8 N4 O4 Pu2 -","2","0.125","","David D. Schnaars; Richard E. Wilson","Structural and Vibrational Properties of U(VI)O2Cl42- and Pu(VI)O2Cl42- Complexes","Inorganic Chemistry","2013","52","","14138","14147","10.1021/ic401991n","","","0.71073","MoKα","","0.0341","0.0227","","","0.0581","0.0619","","","","","","1.131","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337003","14.73","0.0005","15.2643","0.0005","19.6629","0.0006","87.7219","0.0005","72.4363","0.0004","65.1037","0.0004","3803.7","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H126 Cl N2 Ti -","- C84 H126 Cl N2 Ti -","- C168 H252 Cl2 N4 Ti2 -","2","1","","Jessica N. Boynton; Jing-Dong Guo; Fernande Grandjean; James C. Fettinger; Shigeru Nagase; Gary J. Long; Philip P. Power","Synthesis and Characterization of the Titanium Bisamide Ti{N(H)AriPr6}2 (AriPr6= C6H3-2,6-(C6H2-2,4,6-iPr3)2 and Its TiCl{N(H)AriPr6}2 Precursor: Ti(II) →Ti(IV) Cyclization","Inorganic Chemistry","2013","52","","14216","14223","10.1021/ic4021355","","","0.71073","MoKα","","0.0644","0.048","","","0.1234","0.1347","","","","","","1.032","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337004","12.8989","0.0015","13.5582","0.0016","20.951","0.002","76.306","0.005","88.769","0.005","63.044","0.005","3157.5","0.6","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H100 N2 Ti -","- C72 H100 N2 Ti -","- C144 H200 N4 Ti2 -","2","1","","Jessica N. Boynton; Jing-Dong Guo; Fernande Grandjean; James C. Fettinger; Shigeru Nagase; Gary J. Long; Philip P. Power","Synthesis and Characterization of the Titanium Bisamide Ti{N(H)AriPr6}2 (AriPr6= C6H3-2,6-(C6H2-2,4,6-iPr3)2 and Its TiCl{N(H)AriPr6}2 Precursor: Ti(II) →Ti(IV) Cyclization","Inorganic Chemistry","2013","52","","14216","14223","10.1021/ic4021355","","","1.54178","CuKα","","0.0638","0.0584","","","0.1565","0.1613","","","","","","1.016","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337005","8.0301","0.0007","8.0301","0.0007","8.0301","0.0007","90","","90","","90","","517.8","0.08","298","0.2","298","0.2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- O6 Sb0.5 Se2 V0.5 -","- O6 Sb0.5 Se2 V0.5 -","- O24 Sb2 Se8 V2 -","4","0.166667","","Yiseul Shin; Dong Woo Lee; Kwang Yong Choi; Hyun-Joo Koo; Kang Min Ok","VSb(SeO3)4, First Selenite Containing V3+ Cation: Synthesis, Structure, Characterization, Magnetic Properties, and Calculations","Inorganic Chemistry","2013","52","","14224","14230","10.1021/ic4021564","","","0.71073","MoKα","","0.0729","0.0285","","","0.0401","0.0456","","","","","","0.9","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337006","13.0834","0.0005","14.3533","0.0006","19.389","0.0008","68.837","0.003","81.074","0.003","63.807","0.003","3046.8","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H88 Co2 P4 Sm -","- C54 H88 Co2 P4 Sm -","- C108 H176 Co4 P8 Sm2 -","2","1","","Tianshu Li; Nicholas Arleth; Michael T. Gamer; Ralf Köppe; Timo Augenstein; Fabian Dielmann; Manfred Scheer; Sergey N. Konchenko; Peter W. Roesky","Intramolecular Phosphorus-Phosphorus Bond Formation within a Co2P4 Core","Inorganic Chemistry","2013","52","","14231","14236","10.1021/ic402159y","","","0.71073","MoKα","","0.0512","0.0307","","","0.045","0.0469","","","","","","1.01","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337007","10.3372","0.0003","17.1314","0.0005","34.891","0.0011","90","","97.782","0.002","90","","6122","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H102 Co2 P4 Sm -","- C60 H102 Co2 P4 Sm -","- C240 H408 Co8 P16 Sm4 -","4","1","","Tianshu Li; Nicholas Arleth; Michael T. Gamer; Ralf Köppe; Timo Augenstein; Fabian Dielmann; Manfred Scheer; Sergey N. Konchenko; Peter W. Roesky","Intramolecular Phosphorus-Phosphorus Bond Formation within a Co2P4 Core","Inorganic Chemistry","2013","52","","14231","14236","10.1021/ic402159y","","","0.71073","MoKα","","0.0607","0.039","","","0.0813","0.0864","","","","","","1.001","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337008","13.0764","0.0014","14.532","0.0014","17.9246","0.0019","75.202","0.008","84.017","0.009","63.168","0.007","2938.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H96 Co2 P4 Sm -","- C58 H96 Co2 P4 Sm -","- C116 H192 Co4 P8 Sm2 -","2","1","","Tianshu Li; Nicholas Arleth; Michael T. Gamer; Ralf Köppe; Timo Augenstein; Fabian Dielmann; Manfred Scheer; Sergey N. Konchenko; Peter W. Roesky","Intramolecular Phosphorus-Phosphorus Bond Formation within a Co2P4 Core","Inorganic Chemistry","2013","52","","14231","14236","10.1021/ic402159y","","","0.71073","MoKα","","0.1485","0.0661","","","0.1396","0.1746","","","","","","0.861","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337009","7.5108","0.0002","8.1831","0.0002","17.6865","0.0004","92.283","0.002","94.663","0.002","97.343","0.002","1073.17","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 O8 Zn -","- C22 H18 N4 O8 Zn -","- C44 H36 N8 O16 Zn2 -","2","1","","Chanel F. Leong; Bun Chan; Thomas B. Faust; Peter Turner; Deanna M. D'Alessandro","Electronic, Optical, and Computational Studies of a Redox-Active Napthalenediimide-Based Coordination Polymer","Inorganic Chemistry","2013","52","","14246","14252","10.1021/ic402173z","","","1.5418","CuKα","","0.0381","0.0336","","","0.0964","0.0993","","","","","","1.451","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337010","14.9307","0.0004","22.7367","0.0006","24.1929","0.0006","73.638","0.002","88.638","0.002","71.327","0.002","7445.5","0.4","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C130 H213 Ga6 N14 Ni8 -","- C130 H213 Ga6 N14 Ni8 -","- C260 H426 Ga12 N28 Ni16 -","2","1","","Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer","Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions","Inorganic Chemistry","2013","52","","14275","14283","10.1021/ic4022189","","","0.71073","MoKα","","0.0775","0.0485","","","0.1149","0.1272","","","","","","1.038","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337011","21.2442","0.0003","19.4977","0.0003","14.7554","0.0003","90","","90.271","0.002","90","","6111.81","0.18","105","2","105","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H87 Ga4 N3 Pd3 -","- C55 H87 Ga4 N3 Pd3 -","- C220 H348 Ga16 N12 Pd12 -","4","1","","Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer","Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions","Inorganic Chemistry","2013","52","","14275","14283","10.1021/ic4022189","","","0.71073","MoKα","","0.0565","0.0405","","","0.0822","0.0874","","","","","","1.14","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337012","14.68142","0.00019","19.3286","0.0003","21.2712","0.0004","90","","90.1116","0.0013","90","","6036.14","0.17","109","2","109","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C55 H87 Ga4 N3 Pt3 -","- C55 H87 Ga4 N3 Pt3 -","- C220 H348 Ga16 N12 Pt12 -","4","1","","Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer","Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions","Inorganic Chemistry","2013","52","","14275","14283","10.1021/ic4022189","","","1.54184","CuKα","","0.0789","0.0604","","","0.1376","0.1505","","","","","","1.137","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337013","17.391","0.0003","17.391","0.0003","17.391","0.0003","90","","90","","90","","5259.85","0.16","230","2","230","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C60 H96 Ga4 N4 Pd4 -","- C60.8 H113.04 Ga4 N4 Pd4 -","- C121.6 H226.08 Ga8 N8 Pd8 -","2","0.0416667","","Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer","Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions","Inorganic Chemistry","2013","52","","14275","14283","10.1021/ic4022189","","","0.71073","MoKα","","0.0514","0.0413","","","0.1118","0.1233","","","","","","1.169","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337014","14.5154","0.0004","14.7168","0.0004","17.0035","0.0003","76.2084","0.0019","78.334","0.002","70.824","0.002","3301.3","0.15","109","2","109","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H80 Ga4 N4 Pd4 -","- C68 H80 Ga4 N4 Pd4 -","- C136 H160 Ga8 N8 Pd8 -","2","1","","Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer","Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions","Inorganic Chemistry","2013","52","","14275","14283","10.1021/ic4022189","","","1.54184","CuKα","","0.0323","0.0278","","","0.0734","0.077","","","","","","1.06","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337015","12.6769","0.001","28.307","0.003","21.6649","0.0017","90","","93.598","0.007","90","","7759","1.2","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C57 H106 Ga N6 Ni4 Zn8 -","- C57 H106 Ga N6 Ni4 Zn8 -","- C228 H424 Ga4 N24 Ni16 Zn32 -","4","1","","Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer","Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions","Inorganic Chemistry","2013","52","","14275","14283","10.1021/ic4022189","","","0.71073","MoKα","","0.0403","0.0386","","","0.1227","0.125","","","","","","1.432","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337016","14.0884","0.0006","15.1433","0.0005","20.6624","0.0007","104.309","0.003","94.496","0.003","93.163","0.003","4245.6","0.3","109","2","109","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H108 N4 Pd4 Zn8 -","- C64 H108 N4 Pd4 Zn8 -","- C128 H216 N8 Pd8 Zn16 -","2","1","","Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer","Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions","Inorganic Chemistry","2013","52","","14275","14283","10.1021/ic4022189","","","0.71073","MoKα","","0.102","0.0611","","","0.1477","0.1633","","","","","","1.035","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337017","15.8533","0.0004","15.8533","0.0004","14.9665","0.0008","90","","90","","90","","3761.5","0.2","105","2","105","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C72 H92 N4 Pd4 Zn8 -","- C72 H92 N4 Pd4 Zn8 -","- C144 H184 N8 Pd8 Zn16 -","2","0.25","","Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer","Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions","Inorganic Chemistry","2013","52","","14275","14283","10.1021/ic4022189","","","1.54184","CuKα","","0.0553","0.0392","","","0.0996","0.1124","","","","","","1.032","","","","has coordinates","278046","2022-09-21","15:45:41",""
"4337018","28.7302","0.0017","9.3387","0.0002","25.0641","0.0007","90","","114.627","0.003","90","","6113.1","0.4","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H96 Al4 N4 -","- C60 H96 Al4 N4 -","- C240 H384 Al16 N16 -","4","0.5","","Mariusz Molon; Katharina Dilchert; Christian Gemel; Rüdiger W. Seidel; Julian Schaumann; Roland A. Fischer","Clusters [Ma(GaCp*)b(CNR)c] (M = Ni, Pd, Pt): Synthesis, Structure, and Ga/Zn Exchange Reactions","Inorganic Chemistry","2013","52","","14275","14283","10.1021/ic4022189","","","1.54184","CuKα","","0.0667","0.0452","","","0.1086","0.1226","","","","","","1.042","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337019","7.651","0.002","15.821","0.004","19.096","0.004","94.046","0.004","93.837","0.004","93.571","0.005","2295.4","1","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 Fe S10 -","- C20 H14 Fe S10 -","- C80 H56 Fe4 S40 -","4","2","","Tetsuro Kusamoto; Hiroshi Nishihara; Reizo Kato","Substituent-Dependent Spin-Density Distribution and Coexistence of Fe 3d and π Spins on Ferrocene-Tetrathiafulvalene Hybrids","Inorganic Chemistry","2013","52","","13809","13811","10.1021/ic4022678","","","0.71073","MoKα","","0.1165","0.0678","","","0.1356","0.1634","","","","","","1.083","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4337020","10.408","0.006","10.656","0.007","14.902","0.009","96.92","0.012","91.646","0.012","93.844","0.011","1635.9","1.7","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H14 F4 Fe N4 S10 -","- C32 H14 F4 Fe N4 S10 -","- C64 H28 F8 Fe2 N8 S20 -","2","1","","Tetsuro Kusamoto; Hiroshi Nishihara; Reizo Kato","Substituent-Dependent Spin-Density Distribution and Coexistence of Fe 3d and π Spins on Ferrocene-Tetrathiafulvalene Hybrids","Inorganic Chemistry","2013","52","","13809","13811","10.1021/ic4022678","","","0.71073","MoKα","","0.176","0.0861","","","0.1977","0.2651","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337021","18.973","0.007","7.612","0.002","25.295","0.009","90","","111.051","0.005","90","","3409","2","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 B2 Cl2 F14 Fe S8 Se0 -","- C24.338 H10.892 B2 Cl2.002 F14 Fe S8 -","- C97.352 H43.568 B8 Cl8.008 F56 Fe4 S32 -","4","1","","Tetsuro Kusamoto; Hiroshi Nishihara; Reizo Kato","Substituent-Dependent Spin-Density Distribution and Coexistence of Fe 3d and π Spins on Ferrocene-Tetrathiafulvalene Hybrids","Inorganic Chemistry","2013","52","","13809","13811","10.1021/ic4022678","","","0.71073","MoKα","","0.1448","0.0811","","","0.1727","0.2177","","","","","","1.038","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337022","16.5494","0.0003","11.6163","0.0002","10.5414","0.0002","90","","90","","90","","2026.51","0.06","293","2","293","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C8 H13 Ba2 O23 Ta -","- C8 H13 Ba2 O23 Ta -","- C32 H52 Ba8 O92 Ta4 -","4","0.5","","Lidija Androš; Marijana Jurić; Jasminka Popović; Ana Šantić; Predrag Lazić; Metka Benčina; Matjaz Valant; Nevenka Brničević; Pavica Planinić","Ba4Ta2O9 Oxide Prepared from an Oxalate-Based Molecular Precursor-Characterization and Properties","Inorganic Chemistry","2013","52","","14299","14308","10.1021/ic402276e","","x-ray","0.71073","MoKα","","0.0317","0.0289","","","0.0654","0.066","","","","","","1.294","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337023","11.988","0.001","31.809","0.002","13.908","0.001","90","","102.568","0.009","90","","5176.4","0.7","180","","180","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C51 H44 Ag2 B2 Cl2 F8 N4 O P2 -","- C51 H42 Ag2 B2 Cl2 F8 N4 O P2 -","- C204 H168 Ag8 B8 Cl8 F32 N16 O4 P8 -","4","1","","Adrien Kaeser; Béatrice Delavaux-Nicot; Carine Duhayon; Yannick Coppel; Jean-François Nierengarten","Heteroleptic Silver(I) Complexes Prepared from Phenanthroline and Bis-phosphine Ligands","Inorganic Chemistry","2013","52","","14343","14354","10.1021/ic402342y","","","0.71073","MoKα","","0.1084","0.0764","","0.1045","0.0785","0.0785","","","","","","1.7056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337024","15.4142","0.0007","13.1813","0.0008","20.268","0.001","90","","112.022","0.005","90","","3817.6","0.4","180","","180","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C82 H80 Ag2 B2 F8 N4 O2 P4 -","- C82 H80 Ag2 B2 F8 N4 O2 P4 -","- C164 H160 Ag4 B4 F16 N8 O4 P8 -","2","0.5","","Adrien Kaeser; Béatrice Delavaux-Nicot; Carine Duhayon; Yannick Coppel; Jean-François Nierengarten","Heteroleptic Silver(I) Complexes Prepared from Phenanthroline and Bis-phosphine Ligands","Inorganic Chemistry","2013","52","","14343","14354","10.1021/ic402342y","","","0.71073","MoKα","","0.0679","0.0351","","0.0498","0.041","0.041","","","","","","1.1123","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337025","11.2573","0.0005","13.7792","0.0006","14.4971","0.0006","104.345","0.004","98.5","0.005","112.36","0.004","1939.9","0.18","180","","180","","","","","","","","","8","P -1","-P 1","2","","","","- C80 H72 Ag2 B2 Cl4 F8 N4 P4 -","- C80 H72 Ag2 B2 Cl4 F8 N4 P4 -","- C80 H72 Ag2 B2 Cl4 F8 N4 P4 -","1","0.5","","Adrien Kaeser; Béatrice Delavaux-Nicot; Carine Duhayon; Yannick Coppel; Jean-François Nierengarten","Heteroleptic Silver(I) Complexes Prepared from Phenanthroline and Bis-phosphine Ligands","Inorganic Chemistry","2013","52","","14343","14354","10.1021/ic402342y","","","0.71073","MoKα","","0.0436","0.0303","","0.0387","0.0344","0.0344","","","","","","1.0997","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337026","14.791","0.001","21.016","0.002","24.5521","0.0018","90","","98.344","0.008","90","","7551.2","1.1","180","","180","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C75.75 H61.5 Ag2 B2 Cl1.5 F8 N4 O P2 -","- C75.75 H60.5 Ag2 B2 Cl1.5 F8 N4 O P2 -","- C303 H242 Ag8 B8 Cl6 F32 N16 O4 P8 -","4","1","","Adrien Kaeser; Béatrice Delavaux-Nicot; Carine Duhayon; Yannick Coppel; Jean-François Nierengarten","Heteroleptic Silver(I) Complexes Prepared from Phenanthroline and Bis-phosphine Ligands","Inorganic Chemistry","2013","52","","14343","14354","10.1021/ic402342y","","","0.71073","MoKα","","0.1741","0.0779","","0.1282","0.0876","0.0876","","","","","","1.0871","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4337027","37.9967","0.0016","32.2079","0.0013","14.0707","0.0006","90","","94.628","0.003","90","","17163.5","1.2","180","","180","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C54 H55.667 Ag2 B2 F8 N4 O3.833 P2 -","- C54 H48 Ag2 B2 F8 N4 O3.83333 P2 -","- C648 H576 Ag24 B24 F96 N48 O46 P24 -","12","3","","Adrien Kaeser; Béatrice Delavaux-Nicot; Carine Duhayon; Yannick Coppel; Jean-François Nierengarten","Heteroleptic Silver(I) Complexes Prepared from Phenanthroline and Bis-phosphine Ligands","Inorganic Chemistry","2013","52","","14343","14354","10.1021/ic402342y","","","0.71073","MoKα","","0.2154","0.0916","","0.1121","0.0902","0.0902","","","","","","1.0997","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337028","11.2083","0.0006","12.6121","0.0006","20.892","0.001","100.343","0.004","92.211","0.004","113.308","0.005","2648.5","0.3","160","","160","","","","","","","","","9","P -1","-P 1","2","","","","- C51.5 H47.5 Ag2 B2 Cl F8 N4 O2.25 P2 -","- C51.5 H43 Ag2 B2 Cl F8 N4 O2.25 P2 -","- C103 H86 Ag4 B4 Cl2 F16 N8 O4.5 P4 -","2","1","","Adrien Kaeser; Béatrice Delavaux-Nicot; Carine Duhayon; Yannick Coppel; Jean-François Nierengarten","Heteroleptic Silver(I) Complexes Prepared from Phenanthroline and Bis-phosphine Ligands","Inorganic Chemistry","2013","52","","14343","14354","10.1021/ic402342y","","","0.71073","MoKα","","0.1588","0.1035","","0.1632","0.158","0.158","","","","","","0.9505","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337029","11.9918","0.0005","12.8882","0.0006","14.8827","0.0007","77.871","0.004","80.596","0.005","89.471","0.004","2217.84","0.18","180","","180","","","","","","","","","9","P -1","-P 1","2","","","","- C49 H38 Ag B Cl2 F4 N2 O P2 -","- C49 H38 Ag B Cl2 F4 N2 O P2 -","- C98 H76 Ag2 B2 Cl4 F8 N4 O2 P4 -","2","1","","Adrien Kaeser; Béatrice Delavaux-Nicot; Carine Duhayon; Yannick Coppel; Jean-François Nierengarten","Heteroleptic Silver(I) Complexes Prepared from Phenanthroline and Bis-phosphine Ligands","Inorganic Chemistry","2013","52","","14343","14354","10.1021/ic402342y","","","0.71073","MoKα","","0.0501","0.0323","","0.0385","0.038","0.038","","","","","","1.1066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4337030","10.8834","0.0006","10.7139","0.0006","22.0706","0.0011","90","","98.478","0.002","90","","2545.4","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H31 Fe2 N5 O11 S -","- C15 H31 Fe2 N5 O11 S -","- C60 H124 Fe8 N20 O44 S4 -","4","1","","Chung-Yen Lu; Wen-Feng Liaw","Formation Pathway of Roussin's Red Ester (RRE) via the Reaction of a {Fe(NO)2}10 Dinitrosyliron Complex (DNIC) and Thiol: Facile Synthetic Route for Synthesizing Cysteine-Containing DNIC","Inorganic Chemistry","2013","52","","13918","13926","10.1021/ic402364p","","","0.71073","MoKα","","0.057","0.0362","","","0.0859","0.1031","","","","","","1.065","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337031","9.002","0.002","11.907","0.003","15.175","0.004","69.492","0.004","73.004","0.004","69.942","0.004","1403.4","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H36 Fe2 N6 O10 S2 -","- C16 H36 Fe2 N6 O10 S2 -","- C32 H72 Fe4 N12 O20 S4 -","2","1","","Chung-Yen Lu; Wen-Feng Liaw","Formation Pathway of Roussin's Red Ester (RRE) via the Reaction of a {Fe(NO)2}10 Dinitrosyliron Complex (DNIC) and Thiol: Facile Synthetic Route for Synthesizing Cysteine-Containing DNIC","Inorganic Chemistry","2013","52","","13918","13926","10.1021/ic402364p","","","0.71073","MoKα","","0.073","0.0608","","","0.2165","0.2297","","","","","","0.926","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337032","10.6804","0.0006","14.6441","0.0011","16.5578","0.0009","90","","103.811","0.004","90","","2514.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H37 Fe N4 O8 S2 -","- C16 H37 Fe N4 O8 S2 -","- C64 H148 Fe4 N16 O32 S8 -","4","1","","Chung-Yen Lu; Wen-Feng Liaw","Formation Pathway of Roussin's Red Ester (RRE) via the Reaction of a {Fe(NO)2}10 Dinitrosyliron Complex (DNIC) and Thiol: Facile Synthetic Route for Synthesizing Cysteine-Containing DNIC","Inorganic Chemistry","2013","52","","13918","13926","10.1021/ic402364p","","","0.71073","MoKα","","0.0751","0.0436","","","0.0997","0.1147","","","","","","1.012","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337033","8.203","0.003","13.821","0.005","15.719","0.004","107.632","0.007","95.624","0.009","97.094","0.01","1668","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H96 Fe2 N6 O22 S4 -","- C52 H96 Fe2 N6 O22 S4 -","- C52 H96 Fe2 N6 O22 S4 -","1","0.5","","Chung-Yen Lu; Wen-Feng Liaw","Formation Pathway of Roussin's Red Ester (RRE) via the Reaction of a {Fe(NO)2}10 Dinitrosyliron Complex (DNIC) and Thiol: Facile Synthetic Route for Synthesizing Cysteine-Containing DNIC","Inorganic Chemistry","2013","52","","13918","13926","10.1021/ic402364p","","","0.71073","MoKα","","0.1751","0.0759","","","0.1621","0.2021","","","","","","1.014","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337034","5.6327","0.0004","8.1237","0.0006","6.152","0.0005","90","","115.805","0.0012","90","","253.43","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C2 Cu Na2 O6 -","- C2 Cu Na2 O6 -","- C4 Cu2 Na4 O12 -","2","0.5","","Yulia V. Nelyubina; Alexander A. Korlyukov; Ivan V. Fedyanin; Konstantin A. Lyssenko","Extremely Long Cu...O Contact as a Possible Pathway for Magnetic Interactions in Na2Cu(CO3)2","Inorganic Chemistry","2013","52","","14355","14363","10.1021/ic4024025","","","0.71073","MoKα","","0.0455","0.0305","","","0.0673","0.0726","","","","","","1.007","","","","has coordinates,has Fobs","179473","2020-10-21","18:00:00",""
"4337035","33.6475","0.0004","33.6475","0.0004","17.4253","0.0003","90","","90","","90","","19728.1","0.5","100","0.1","100","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C108 H96 Cl4 O40 Zr12 -","- C108 H96 Cl4 O40 Zr12 -","- C432 H384 Cl16 O160 Zr48 -","4","0.25","","Guoliang Liu; Zhanfeng Ju; Daqiang Yuan; Maochun Hong","In Situ Construction of a Coordination Zirconocene Tetrahedron","Inorganic Chemistry","2013","52","","13815","13817","10.1021/ic402428m","","","1.54184","CuKα","","0.1019","0.0842","","","0.2341","0.2478","","","","","","1.163","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4337036","23.0979","0.0001","23.0979","0.0001","16.4166","0.0003","90","","90","","90","","8758.47","0.17","100","0.1","100","0.1","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C108 H112 Cl4 N4 O44 Zr12 -","- C108 H112 Cl4 N4 O44 Zr12 -","- C216 H224 Cl8 N8 O88 Zr24 -","2","0.25","","Guoliang Liu; Zhanfeng Ju; Daqiang Yuan; Maochun Hong","In Situ Construction of a Coordination Zirconocene Tetrahedron","Inorganic Chemistry","2013","52","","13815","13817","10.1021/ic402428m","","","1.54178","CuKα","","0.0636","0.0546","","","0.1411","0.1477","","","","","","1.078","","","","has coordinates","264764","2021-05-03","08:11:06",""
"4337037","42.4069","0.0018","42.4069","0.0018","42.4069","0.0018","90","","90","","90","","76262","6","100","0.2","100","0.2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C144 H120 Cl4 O40 Zr12 -","- C144 H120 Cl3.9996 O40 Zr12 -","- C1152 H960 Cl31.9968 O320 Zr96 -","8","0.0416667","","Guoliang Liu; Zhanfeng Ju; Daqiang Yuan; Maochun Hong","In Situ Construction of a Coordination Zirconocene Tetrahedron","Inorganic Chemistry","2013","52","","13815","13817","10.1021/ic402428m","","","1.54178","CuKα","","0.1952","0.1006","","","0.2621","0.3066","","","","","","0.867","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337038","37.5532","0.0015","37.5532","0.0015","37.5532","0.0015","90","","90","","90","","52959","4","100","0.1","100","0.1","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C168 H132 Cl4 O40 Zr12 -","- C168 H132 Cl3.9996 O40 Zr12 -","- C672 H528 Cl15.9984 O160 Zr48 -","4","0.0416667","","Guoliang Liu; Zhanfeng Ju; Daqiang Yuan; Maochun Hong","In Situ Construction of a Coordination Zirconocene Tetrahedron","Inorganic Chemistry","2013","52","","13815","13817","10.1021/ic402428m","","","1.54184","CuKα","","0.1583","0.0811","","","0.1963","0.228","","","","","","0.829","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337039","18.319","0.002","4.8688","0.0005","20.288","0.002","90","","115.556","0.005","90","","1632.5","0.3","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Cd N5 O14 -","- C30 H30 Cd N5 O14 -","- C60 H60 Cd2 N10 O28 -","2","1","","Dani Peri; Jim Ciston; Felipe Gándara; Yingbo Zhao; Omar M. Yaghi","Crystalline Fibers of Metal-Peptide Double Ladders","Inorganic Chemistry","2013","52","","13818","13820","10.1021/ic402435z","","","1.54178","CuKα","","0.1285","0.0946","","","0.2103","0.2327","","","","","","1.126","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337040","5.6928","0.0005","5.6928","","11.3311","0.0015","90","","90","","90","","367.22","0.06","","","","","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cu2 Fe0.8 Se4 Sn Zn0.2 -","- Cu2 Fe0.8 Se4 Sn Zn0.2 -","- Cu4 Fe1.6 Se8 Sn2 Zn0.4 -","2","0.125","","Yongkwan Dong; Hsin Wang; George S. Nolas","Synthesis, Crystal Structure, and High Temperature Transport Properties of p-Type Cu2Zn1-xFexSnSe4","Inorganic Chemistry","2013","52","","14364","14367","10.1021/ic402455x","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.19612","","1.86","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4337041","5.6817","0.002","5.6817","","11.375","0.008","90","","90","","90","","367.2","0.3","","","","","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cu2 Fe0.6 Se4 Sn Zn0.4 -","- Cu2 Fe0.6 Se4 Sn Zn0.4 -","- Cu4 Fe1.2 Se8 Sn2 Zn0.8 -","2","0.125","","Yongkwan Dong; Hsin Wang; George S. Nolas","Synthesis, Crystal Structure, and High Temperature Transport Properties of p-Type Cu2Zn1-xFexSnSe4","Inorganic Chemistry","2013","52","","14364","14367","10.1021/ic402455x","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.33871","","2.48","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4337042","5.6937","0.002","5.6937","","11.379","0.008","90","","90","","90","","368.9","0.3","","","","","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cu2 Fe0.4 Se4 Sn Zn0.6 -","- Cu2 Fe0.4 Se4 Sn Zn0.6 -","- Cu4 Fe0.8 Se8 Sn2 Zn1.2 -","2","0.125","","Yongkwan Dong; Hsin Wang; George S. Nolas","Synthesis, Crystal Structure, and High Temperature Transport Properties of p-Type Cu2Zn1-xFexSnSe4","Inorganic Chemistry","2013","52","","14364","14367","10.1021/ic402455x","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.26828","","1.69","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4337043","5.695","0.0012","5.695","","11.387","0.005","90","","90","","90","","369.31","0.18","","","","","","","","","","","","5","I -4 2 m","I -4 2","121","","","","- Cu2 Fe0.2 Se4 Sn Zn0.8 -","- Cu2 Fe0.2 Se4 Sn Zn0.8 -","- Cu4 Fe0.4 Se8 Sn2 Zn1.6 -","2","0.125","","Yongkwan Dong; Hsin Wang; George S. Nolas","Synthesis, Crystal Structure, and High Temperature Transport Properties of p-Type Cu2Zn1-xFexSnSe4","Inorganic Chemistry","2013","52","","14364","14367","10.1021/ic402455x","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.45212","","1.75","","","","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4337044","13.0361","0.0007","15.7152","0.0009","18.9419","0.0011","66.11","0.001","75.938","0.001","85.651","0.002","3440.6","0.3","200","2","200","2","","","","","","","","7","P 1","P 1","1","","","","- C60 H83 Au3 N2 O14 P4 S2 -","- C60 H58 Au3 N2 O14 P4 S2 -","- C120 H116 Au6 N4 O28 P8 S4 -","2","2","","Yuji Hashimoto; Nobuto Yoshinari; Daisuke Naruse; Koichi Nozaki; Takumi Konno","Synthesis, Structures, and Luminescence Properties of Interconvertible AuI2ZnII and AuI3ZnII Complexes with Mixed Bis(diphenylphosphino)methane and d-Penicillaminate","Inorganic Chemistry","2013","52","","14368","14375","10.1021/ic4024629","","","0.71075","MoKα","","0.1047","0.0838","","","0.2146","0.2393","","","","","","1.126","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337045","11.7463","0.0006","31.863","0.002","12.6664","0.0009","90","","105.994","0.002","90","","4557.2","0.5","200","2","200","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H57 Au2 N2 O11.5 P2 S2 Zn -","- C36 H57 Au2 N2 O11.5 P2 S2 Zn -","- C144 H228 Au8 N8 O46 P8 S8 Zn4 -","4","2","","Yuji Hashimoto; Nobuto Yoshinari; Daisuke Naruse; Koichi Nozaki; Takumi Konno","Synthesis, Structures, and Luminescence Properties of Interconvertible AuI2ZnII and AuI3ZnII Complexes with Mixed Bis(diphenylphosphino)methane and d-Penicillaminate","Inorganic Chemistry","2013","52","","14368","14375","10.1021/ic4024629","","","0.71075","MoKα","","0.0846","0.0665","","","0.1237","0.1354","","","","","","1.092","","","","has coordinates","188980","2020-10-21","18:00:00",""
"4337046","20.5318","0.0005","11.5885","0.0002","16.7656","0.0004","90","","90","","90","","3989.09","0.15","200","2","200","2","","","","","","","","9","P 21 21 2","P 2 2ab","18","","","","- C60 H96 Au3 Cl N2 O21 P4 S2 Zn -","- C60 H96 Au3 Cl N2 O21 P4 S2 Zn -","- C120 H192 Au6 Cl2 N4 O42 P8 S4 Zn2 -","2","0.5","","Yuji Hashimoto; Nobuto Yoshinari; Daisuke Naruse; Koichi Nozaki; Takumi Konno","Synthesis, Structures, and Luminescence Properties of Interconvertible AuI2ZnII and AuI3ZnII Complexes with Mixed Bis(diphenylphosphino)methane and d-Penicillaminate","Inorganic Chemistry","2013","52","","14368","14375","10.1021/ic4024629","","","0.71075","MoKα","","0.035","0.0313","","","0.0739","0.0758","","","","","","1.081","","","","has coordinates,has disorder","188980","2020-10-21","18:00:00",""
"4337047","17.7241","0.0005","15.0734","0.0003","22.6068","0.0008","90","","104.927","0.003","90","","5835.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 F6 N3 O7 Tb -","- C27 H22 F6 N3 O7 Tb -","- C216 H176 F48 N24 O56 Tb8 -","8","2","","Eugen S. Andreiadis; Nicolas Gauthier; Daniel Imbert; Renaud Demadrille; Jacques Pécaut; Marinella Mazzanti","Lanthanide Complexes Based on β-Diketonates and a Tetradentate Chromophore Highly Luminescent as Powders and in Polymers","Inorganic Chemistry","2013","52","","14382","14390","10.1021/ic402523v","","","0.71073","MoKα","","0.127","0.0612","","","0.1159","0.1444","","","","","","1.041","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337048","10.7907","0.0002","18.6444","0.0002","16.3804","0.0002","90","","101.353","0.0014","90","","3231.03","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 Eu F6 N3 O6 S2 -","- C32 H18 Eu F6 N3 O6 S2 -","- C128 H72 Eu4 F24 N12 O24 S8 -","4","1","","Eugen S. Andreiadis; Nicolas Gauthier; Daniel Imbert; Renaud Demadrille; Jacques Pécaut; Marinella Mazzanti","Lanthanide Complexes Based on β-Diketonates and a Tetradentate Chromophore Highly Luminescent as Powders and in Polymers","Inorganic Chemistry","2013","52","","14382","14390","10.1021/ic402523v","","","0.71073","MoKα","","0.0321","0.0239","","","0.0465","0.0488","","","","","","1.024","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337049","15.455","0.004","8.214","0.002","6.7513","0.0017","90","","109.093","0.003","90","","809.9","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Pb S4 Tl2 Zr -","- Pb S4 Tl2 Zr -","- Pb4 S16 Tl8 Zr4 -","4","0.5","","Cheriyedath Raj Sankar; Abdeljalil Assoud; Holger Kleinke","New Layered-Type Quaternary Chalcogenides, Tl2PbMQ4 (M= Zr, Hf;Q= S, Se): Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","13869","13874","10.1021/ic4025316","","","0.71073","MoKα","","0.0828","0.041","","","0.075","0.0906","","","","","","1.127","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337050","15.906","0.003","8.4716","0.0013","7.0161","0.0011","90","","109.014","0.002","90","","893.8","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Pb Se4 Tl2 Zr -","- Pb Se4 Tl2 Zr -","- Pb4 Se16 Tl8 Zr4 -","4","0.5","","Cheriyedath Raj Sankar; Abdeljalil Assoud; Holger Kleinke","New Layered-Type Quaternary Chalcogenides, Tl2PbMQ4 (M= Zr, Hf;Q= S, Se): Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","13869","13874","10.1021/ic4025316","","","0.71073","MoKα","","0.0759","0.0472","","","0.0963","0.1086","","","","","","1.077","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337051","15.4695","0.0019","8.2255","0.0012","6.7103","0.0007","90","","109.265","0.008","90","","806.03","0.18","296","","296","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Hf Pb S4 Tl2 -","- Hf Pb S4 Tl2 -","- Hf4 Pb4 S16 Tl8 -","4","0.5","","Cheriyedath Raj Sankar; Abdeljalil Assoud; Holger Kleinke","New Layered-Type Quaternary Chalcogenides, Tl2PbMQ4 (M= Zr, Hf;Q= S, Se): Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","13869","13874","10.1021/ic4025316","","","0.71073","MoKα","","0.0768","0.0428","","","0.072","0.0821","","","","","","1.011","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337052","15.948","0.0006","8.472","0.0003","6.9733","0.0002","90","","109.121","0.002","90","","890.19","0.05","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Hf Pb Se4 Tl2 -","- Hf Pb Se4 Tl2 -","- Hf4 Pb4 Se16 Tl8 -","4","0.5","","Cheriyedath Raj Sankar; Abdeljalil Assoud; Holger Kleinke","New Layered-Type Quaternary Chalcogenides, Tl2PbMQ4 (M= Zr, Hf;Q= S, Se): Structure, Electronic Structure, and Electrical Transport Properties","Inorganic Chemistry","2013","52","","13869","13874","10.1021/ic4025316","","","0.71073","MoKα","","0.0187","0.0171","","","0.0417","0.0425","","","","","","1.106","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337053","12.5461","0.0009","14.583","0.001","19.408","0.001","106.232","0.004","93.548","0.005","112.024","0.005","3104.6","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C88 Cl22.05 -","- C88 Cl22.047 -","- C176 Cl44.094 -","2","1","","Ilya N. Ioffe; Olga N. Mazaleva; Lev N. Sidorov; Shangfeng Yang; Tao Wei; Erhard Kemnitz; Sergey I. Troyanov","Cage Shrinkage of Fullerene via a C2 Loss: from IPR C90(28)Cl24 to Nonclassical, Heptagon-Containing C88Cl22/24","Inorganic Chemistry","2013","52","","13821","13823","10.1021/ic402556g","","","0.85507","synchrotron","","0.0633","0.0548","","","0.1378","0.143","","","","","","1.021","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337054","12.777","0.001","23.0058","0.0008","21.095","0.001","90","","98.35","0.01","90","","6135","0.6","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C88 Cl22.09 -","- C88 Cl22.087 -","- C352 Cl88.348 -","4","1","","Ilya N. Ioffe; Olga N. Mazaleva; Lev N. Sidorov; Shangfeng Yang; Tao Wei; Erhard Kemnitz; Sergey I. Troyanov","Cage Shrinkage of Fullerene via a C2 Loss: from IPR C90(28)Cl24 to Nonclassical, Heptagon-Containing C88Cl22/24","Inorganic Chemistry","2013","52","","13821","13823","10.1021/ic402556g","","","0.87313","synchrotron","","0.0892","0.0528","","","0.1226","0.1346","","","","","","1.057","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337055","24.327","0.002","14.4721","0.0006","36.516","0.001","90","","101.652","0.009","90","","12591","1.3","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C88 Cl22.55 -","- C88 Cl22.557 -","- C704 Cl180.456 -","8","1","","Ilya N. Ioffe; Olga N. Mazaleva; Lev N. Sidorov; Shangfeng Yang; Tao Wei; Erhard Kemnitz; Sergey I. Troyanov","Cage Shrinkage of Fullerene via a C2 Loss: from IPR C90(28)Cl24 to Nonclassical, Heptagon-Containing C88Cl22/24","Inorganic Chemistry","2013","52","","13821","13823","10.1021/ic402556g","","","0.85507","synchrotron","","0.1071","0.0942","","","0.2252","0.2322","","","","","","1.087","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337056","36.778","0.003","14.4281","0.0009","24.192","0.002","90","","98.894","0.009","90","","12682.8","1.7","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C88 Cl24.21 -","- C88 Cl24.213 -","- C704 Cl193.704 -","8","2","","Ilya N. Ioffe; Olga N. Mazaleva; Lev N. Sidorov; Shangfeng Yang; Tao Wei; Erhard Kemnitz; Sergey I. Troyanov","Cage Shrinkage of Fullerene via a C2 Loss: from IPR C90(28)Cl24 to Nonclassical, Heptagon-Containing C88Cl22/24","Inorganic Chemistry","2013","52","","13821","13823","10.1021/ic402556g","","","0.905","synchrotron","","0.1834","0.1141","","","0.2566","0.2814","","","","","","1.197","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337057","7.27904","0.00007","7.27904","0.00007","7.27904","0.00007","90","","90","","90","","385.676","0.006","300","","300","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ag Cu3 O12 V4 -","- Ag Cu3 O12 V4 -","- Ag2 Cu6 O24 V8 -","2","0.0416667","","Yasuhide Akizuki; Ikuya Yamada; Koji Fujita; Hirofumi Akamatsu; Tetsuo Irifune; Katsuhisa Tanaka","AgCu3V4O12: a Novel Perovskite Containing Mixed-Valence Silver ions","Inorganic Chemistry","2013","52","","13824","13826","10.1021/ic402579v","powder diffraction","","0.49942","","","0.01932","","","","","","0.01934","0.02626","0.8098","","","","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337058","14.7153","0.0004","15.8842","0.0004","16.7459","0.0004","90","","90","","90","","3914.2","0.17","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Cl N3 O6 S -","- C19 H18 Cl N3 O6 S -","- C152 H144 Cl8 N24 O48 S8 -","8","1","","Ajnesh Singh; Tilak Raj; Thammarat Aree; Narinder Singh","Fluorescent Organic Nanoparticles of Biginelli-Based Molecules: Recognition of Hg2+ and Cl- in an Aqueous Medium","Inorganic Chemistry","2013","52","","13830","13832","10.1021/ic402763z","","","0.71073","MoKα","","0.0721","0.052","","","0.142","0.152","","","","","","1.025","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337059","30.0402","0.0011","8.9013","0.0003","13.5698","0.0005","90","","90","","90","","3628.5","0.2","173","2","173","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C73 H53 Cd Cl5 N16 Pd2 -","- C73 H53 Cd Cl5 N16 Pd2 -","- C146 H106 Cd2 Cl10 N32 Pd4 -","2","0.5","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.0851","0.0665","","","0.1747","0.1839","","","","","","1.059","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337060","14.7677","0.0004","8.5971","0.0002","20.3458","0.0005","90","","90.93","0.001","90","","2582.75","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N6 O Zn -","- C30 H24 N6 O Zn -","- C120 H96 N24 O4 Zn4 -","4","1","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.0473","0.0345","","","0.0956","0.1071","","","","","","1.081","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337061","13.699","0.0004","8.9494","0.0003","19.416","0.0007","90","","110.636","0.001","90","","2227.63","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 Cu N6 -","- C28 H20 Cu N6 -","- C112 H80 Cu4 N24 -","4","1","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.042","0.0321","","","0.0898","0.0956","","","","","","1.066","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337062","8.6333","0.0002","15.807","0.0003","16.6992","0.0003","90","","97.962","0.001","90","","2256.91","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N6 Pd -","- C28 H20 N6 Pd -","- C112 H80 N24 Pd4 -","4","1","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.0397","0.0248","","","0.059","0.0685","","","","","","1.028","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337063","11.6653","0.0005","9.7781","0.0004","23.3284","0.0009","90","","90","","90","","2660.94","0.19","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H28 N6 O2 Pd -","- C30 H28 N6 O2 Pd -","- C120 H112 N24 O8 Pd4 -","4","0.5","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.0459","0.0334","","","0.0786","0.0852","","","","","","1.178","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337064","9.38","0.0002","9.4527","0.0002","9.5969","0.0002","79.436","0.001","85.514","0.001","65.827","0.001","763.14","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cl6 N6 Pd -","- C30 H22 Cl6 N6 Pd -","- C30 H22 Cl6 N6 Pd -","1","0.5","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.031","0.0272","","","0.0516","0.0534","","","","","","1.049","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337065","18.0754","0.0009","8.9756","0.0003","20.8164","0.001","90","","107.722","0.002","90","","3216.9","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H62 N16 O Zn2 -","- C76 H52 N16 O Zn2 -","- C152 H104 N32 O2 Zn4 -","2","0.5","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.1376","0.0823","","","0.2119","0.2425","","","","","","1.134","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337066","12.0251","0.0005","13.1586","0.0005","9.0323","0.0004","90","","94.58","0.002","90","","1424.65","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N8 Pd -","- C36 H26 N8 Pd -","- C72 H52 N16 Pd2 -","2","0.5","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.0758","0.0421","","","0.1124","0.1468","","","","","","1.091","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4337067","20.0126","0.0003","20.0126","0.0003","10.3775","0.0003","90","","90","","90","","4156.23","0.15","173","2","173","2","","","","","","","","6","P 4/n n c :2","-P 4a 2bc","126","","","","- C56 H40 Cd Cl2 N12 Zn2 -","- C56 H40 Cd Cl2 N12 Zn2 -","- C112 H80 Cd2 Cl4 N24 Zn4 -","2","0.125","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.0452","0.035","","","0.0822","0.0867","","","","","","1.037","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337068","20.0626","0.0004","20.0626","0.0004","19.8105","0.0006","90","","90","","90","","7973.9","0.3","173","2","173","2","","","","","","","","6","P 43 2 2","P 4cw 2c","95","","","","- C56 H40 Cd Cl2 Cu2 N12 -","- C56 H40 Cd Cl2 Cu2 N12 -","- C224 H160 Cd4 Cl8 Cu8 N48 -","4","0.5","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.0665","0.046","","","0.1088","0.1153","","","","","","0.998","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337069","20.2165","0.0005","20.2165","0.0005","9.0878","0.0003","90","","90","","90","","3714.25","0.18","173","2","173","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C64 H56 Cd Cl18 Cu2 N12 -","- C64 H56 Cd Cl18 Cu2 N12 -","- C128 H112 Cd2 Cl36 Cu4 N24 -","2","0.125","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.0664","0.0644","","","0.1782","0.182","","","","","","1.13","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337070","9.061","0.0002","11.9362","0.0002","15.7702","0.0003","89.515","0.001","85.857","0.001","79.427","0.001","1672.25","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H44 Cd Cl14 N12 Pd2 -","- C60 H44 Cd Cl14 N12 Pd2 -","- C60 H44 Cd Cl14 N12 Pd2 -","1","0.5","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.0414","0.0328","","","0.082","0.0919","","","","","","1.069","","","","has coordinates","179473","2020-10-21","18:00:00",""
"4337071","13.4833","0.0008","31.855","0.0018","19.4871","0.0009","90","","95.092","0.002","90","","8336.9","0.8","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C75 H59 Cd Cl2 N17 O Zn2 -","- C75 H59 Cd Cl2 N17 O Zn2 -","- C300 H236 Cd4 Cl8 N68 O4 Zn8 -","4","0.5","","Antoine Béziau; Stéphane A. Baudron; Audrey Fluck; Mir Wais Hosseini","From Sequential to One-Pot Synthesis of Dipyrrin Based Grid-Type Mixed Metal-Organic Frameworks","Inorganic Chemistry","2013","52","","14439","14448","10.1021/ic402892f","","","0.71073","MoKα","","0.086","0.0654","","","0.2016","0.2149","","","","","","1.078","","","","has coordinates,has disorder","179473","2020-10-21","18:00:00",""
"4338349","9.8861","0.0004","20.3537","0.0009","23.4577","0.0014","90","","97.154","0.004","90","","4683.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H36 Cl2 O12 P2 Re2 -","- C47 H28 Cl2 O12 P2 Re2 -","- C188 H112 Cl8 O48 P8 Re8 -","4","1","","Shankar, Bhaskaran; Elumalai, Palani; Shanmugam, Ramasamy; Singh, Virender; Masram, Dhanraj T.; Sathiyendiran, Malaichamy","New class of phosphine oxide donor-based supramolecular coordination complexes from an in situ phosphine oxidation reaction or phosphine oxide ligands.","Inorganic chemistry","2013","52","18","10217","10219","10.1021/ic401257w","","","0.71073","MoKα","","0.1019","0.079","","","0.1629","0.1728","","","","","","1.203","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338350","19.166","0.005","16.682","0.005","27.879","0.005","90","0.005","105.803","0.005","90","0.005","8577","4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H68 O22 P4 Re4 -","- C83 H68 O22 P4 Re4 -","- C332 H272 O88 P16 Re16 -","4","1","","Shankar, Bhaskaran; Elumalai, Palani; Shanmugam, Ramasamy; Singh, Virender; Masram, Dhanraj T.; Sathiyendiran, Malaichamy","New class of phosphine oxide donor-based supramolecular coordination complexes from an in situ phosphine oxidation reaction or phosphine oxide ligands.","Inorganic chemistry","2013","52","18","10217","10219","10.1021/ic401257w","","","0.71073","MoKα","","0.0919","0.0695","","","0.1246","0.1353","","","","","","1.119","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338351","10.0213","0.0004","12.6007","0.0004","12.9155","0.0005","99.129","0.003","107.872","0.004","99.948","0.003","1489.39","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 Cl4 O32 P4 Re4 -","- C42 H28 Cl4 O32 P4 Re4 -","- C42 H28 Cl4 O32 P4 Re4 -","1","0.5","","Shankar, Bhaskaran; Elumalai, Palani; Shanmugam, Ramasamy; Singh, Virender; Masram, Dhanraj T.; Sathiyendiran, Malaichamy","New class of phosphine oxide donor-based supramolecular coordination complexes from an in situ phosphine oxidation reaction or phosphine oxide ligands.","Inorganic chemistry","2013","52","18","10217","10219","10.1021/ic401257w","","","0.71073","MoKα","","0.0372","0.0317","","","0.069","0.0717","","","","","","1.05","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338352","11.8607","0.0016","50.637","0.007","61.215","0.008","90","","90","","90","","36765","9","296","2","296","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C12 H103 Mo24 N4 Na5 O138 P12 -","- C12 H24 Mo24 N4 Na5 O138 P12 -","- C96 H192 Mo192 N32 Na40 O1104 P96 -","8","0.25","","Yang, Lu; Ma, Pengtao; Zhou, Zhen; Wang, Jingping; Niu, Jingyang","A crown-shaped 24-molybdate cluster constructed by organotriphosphonate ligand.","Inorganic chemistry","2013","52","15","8285","8287","10.1021/ic400848r","","","0.71073","MoKα","","0.0767","0.0592","","","0.1756","0.1908","","","","","","1.065","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338353","25.5599","0.0015","25.5599","0.0015","12.7833","0.0012","90","","90","","90","","8351.4","1","298","2","298","2","","","","","","","","5","P 42 21 2","P 4n 2n","94","","","","- C48 H28 N6 O14 Zn3 -","- C48 H24 N6 O14 Zn3 -","- C192 H96 N24 O56 Zn12 -","4","0.5","","Han, Lei; Qin, Lan; Xu, Lan-Ping; Zhao, Wen-Na","Doubly interpenetrated chiral (10,3)-a network with charge-transfer-type guest inclusion.","Inorganic chemistry","2013","52","4","1667","1669","10.1021/ic301707h","","","1.54178","CuKα","","0.1651","0.0852","","","0.2392","0.2659","","","","","","0.891","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338354","14.333","0.004","15.442","0.004","17.03","0.005","70.703","0.011","87.221","0.016","75.803","0.015","3446.7","1.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H82 Gd10 O56 S22 -","- C110.008 H82.006 Gd10 O56 S22.002 -","- C110.008 H82.006 Gd10 O56 S22.002 -","1","0.5","","Liu, Sui-Jun; Zhao, Jiong-Peng; Tao, Jun; Jia, Ji-Min; Han, Song-De; Li, Yue; Chen, Yan-Cong; Bu, Xian-He","An unprecedented decanuclear Gd(III) cluster for magnetic refrigeration.","Inorganic chemistry","2013","52","16","9163","9165","10.1021/ic400487m","","","0.71075","MoKα","","0.0637","0.0429","","","0.0732","0.0809","","","","","","0.915","","","","has coordinates,has disorder","179486","2020-10-21","18:00:00",""
"4338355","25.997","0.005","7.5984","0.0015","25.019","0.005","90","","116.18","0.03","90","","4435.1","1.9","168.15","","168.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H25 B Cu F4 N7 -","- C18 H25 B Cu F4 N7 -","- C144 H200 B8 Cu8 F32 N56 -","8","1","","Kimani, Martin M.; Bayse, Craig A.; Stadelman, Bradley S.; Brumaghim, Julia L.","Oxidation of biologically relevant chalcogenones and their Cu(I) complexes: insight into selenium and sulfur antioxidant activity.","Inorganic chemistry","2013","52","20","11685","11687","10.1021/ic401366c","","x-ray","0.71073","MoKα","","0.0823","0.0636","","","0.1724","0.1948","","","","","","1.06","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338356","19.7902","0.001","4.8931","0.0002","20.1615","0.0014","90","","117.464","0.008","90","","1732.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Ag N3 O5 -","- C18 H14 Ag N3 O5 -","- C72 H56 Ag4 N12 O20 -","4","1","","Akhbari, Kamran; Morsali, Ali","Solid-state structural transformations of two Ag(I) supramolecular polymorphs to another polymer upon absorption of HNO3 vapors.","Inorganic chemistry","2013","52","6","2787","2789","10.1021/ic3008415","","","1.54187","CuKα","","0.2101","0.0818","","","0.2164","0.2871","","","","","","1.021","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338357","21.3738","0.0004","23.94","0.0005","29.1969","0.0005","72.211","0.001","68.98","0.001","64.472","0.001","12380.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H26 Cu Ge0.42 In37.58 N2 S63 -","- C13 H26 Cu Ge0.421 In37.579 N2 S63 -","- C26 H52 Cu2 Ge0.842 In75.158 N4 S126 -","2","1","","Wang, Le; Wu, Tao; Bu, Xianhui; Zhao, Xiang; Zuo, Fan; Feng, Pingyun","Coassembly between the largest and smallest metal chalcogenide supertetrahedral clusters.","Inorganic chemistry","2013","52","5","2259","2261","10.1021/ic301965w","","","0.71073","MoKα","","0.1473","0.0571","","","0.1572","0.1757","","","","","","0.74","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4338358","4.4799","0.0002","9.9827","0.0003","13.7854","0.001","90","","90","","90","","616.5","0.06","293","","293","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Mg5 Nd Ni -","- Mg5 Nd Ni -","- Mg20 Nd4 Ni4 -","4","0.25","","Ourane, Bassem; Gaudin, Etienne; Zouari, Ridha; Couillaud, Samuel; Bobet, Jean-Louis","NdNiMg5, a new magnesium-rich phase with an unusual structural type.","Inorganic chemistry","2013","52","23","13289","13291","10.1021/ic401911g","","x-ray","0.71069","MoKα","","0.0251","0.0211","","","0.0531","0.0555","","","","1.34","1.34","1.34","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338359","15.3241","0.0009","17.43","0.001","26.864","0.002","90","","98.303","0.006","90","","7100.1","0.8","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 Cl2 Ir2 N4 -","- C72 H110 Cl2 Ir2 N4 -","- C288 H440 Cl8 Ir8 N16 -","4","1","","Massue, Julien; Olesiak-Banska, Joanna; Jeanneau, Erwann; Aronica, Christophe; Matczyszyn, Katarzyna; Samoc, Marek; Monnereau, Cyrille; Andraud, Chantal","Remarkable effect of iridium cyclometalation on the nonlinear absorption properties of a quadrupolar imine ligand.","Inorganic chemistry","2013","52","19","10705","10707","10.1021/ic4012313","","","0.7107","MoKα","","0.1692","0.0707","","0.1694","0.1173","0.1694","","","","","","0.9925","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4338360","15.3709","0.0029","15.3709","0.0029","8.5861","0.0018","90","","90","","120","","1756.8","0.6","295","","295","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- B15 H60 Li3 Mg Zn5 -","- B15 H60 Li2.98 Mg1.02 Zn5 -","- B30 H120 Li5.96 Mg2.04 Zn10 -","2","0.0833333","","Černý, Radovan; Schouwink, Pascal; Sadikin, Yolanda; Stare, Katarina; Smrčok, L'ubomír; Richter, Bo; Jensen, Torben R.","Trimetallic borohydride Li3MZn5(BH4)15 (M = Mg, Mn) containing two weakly interconnected frameworks.","Inorganic chemistry","2013","52","17","9941","9947","10.1021/ic401139k","powder diffraction","","0.697764","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338361","15.3906","0.0027","15.3906","0.0027","8.5898","0.0018","90","","90","","120","","1762.1","0.6","295","","295","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- B15 H60 Li3 Mn Zn5 -","- B15 H60 Li2.98 Mn1.02 Zn5 -","- B30 H120 Li5.96 Mn2.04 Zn10 -","2","0.0833333","","Černý, Radovan; Schouwink, Pascal; Sadikin, Yolanda; Stare, Katarina; Smrčok, L'ubomír; Richter, Bo; Jensen, Torben R.","Trimetallic borohydride Li3MZn5(BH4)15 (M = Mg, Mn) containing two weakly interconnected frameworks.","Inorganic chemistry","2013","52","17","9941","9947","10.1021/ic401139k","powder diffraction","","0.75274","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4338362","15.2369","0.0052","15.2369","0.0052","8.5328","0.0043","90","","90","","120","","1715.6","1.2","15","","15","","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- B15 H60 Li3 Mg Zn5 -","- B15 H60 Li3.001 Mg0.999 Zn5 -","- B30 H120 Li6.002 Mg1.998 Zn10 -","2","0.0833333","","Černý, Radovan; Schouwink, Pascal; Sadikin, Yolanda; Stare, Katarina; Smrčok, L'ubomír; Richter, Bo; Jensen, Torben R.","Trimetallic borohydride Li3MZn5(BH4)15 (M = Mg, Mn) containing two weakly interconnected frameworks.","Inorganic chemistry","2013","52","17","9941","9947","10.1021/ic401139k","powder diffraction","neutron","1.8857","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4350806","9.7663","0.0005","13.3383","0.0006","14.6433","0.0007","105.238","0.001","91.319","0.001","97.081","0.001","1823.36","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H36 Co N4 O7 -","- C43 H36 Co N4 O7 -","- C86 H72 Co2 N8 O14 -","2","1","","Guo, Yanchao; Shi, Tao; Si, Zhenjun; Duan, Qian; Shi, Linfang","Novel magnetic CoII complexes: Synthesis and characterization","Inorganic Chemistry Communications","2013","34","","15","18","10.1016/j.inoche.2013.04.039","","","0.71073","MoKα","","0.0806","0.0707","","","0.1978","0.2075","","","","","","1.056","","","","has coordinates","272314","2022-01-28","08:06:51",""
"4350807","16.1863","0.0011","15.3953","0.001","11.4987","0.0008","90","","96.299","0.001","90","","2848.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Co N2 O7 -","- C31 H32 Co N2 O7 -","- C124 H128 Co4 N8 O28 -","4","1","","Guo, Yanchao; Shi, Tao; Si, Zhenjun; Duan, Qian; Shi, Linfang","Novel magnetic CoII complexes: Synthesis and characterization","Inorganic Chemistry Communications","2013","34","","15","18","10.1016/j.inoche.2013.04.039","","","0.71073","MoKα","","0.0868","0.0549","","","0.1634","0.1901","","","","","","1.049","","","","has coordinates","272314","2022-01-28","08:06:52",""
"4350813","7.3634","0.0008","9.1657","0.001","12.4374","0.0013","111.33","0.002","95.213","0.002","103.641","0.002","745.25","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H28 Cu4 I4 N4 O2 S2 -","- C16 H28 Cu4 I4 N4 O2 S2 -","- C16 H28 Cu4 I4 N4 O2 S2 -","1","0.5","","Kim, Tae Ho; Lee, Sangjin; Jeon, Youngeun; Shin, Yong Woon; Kim, Jineun","Reversible photoluminescence switch: A stair-step Cu4I4 coordination polymer based on a dithioether ligand","Inorganic Chemistry Communications","2013","33","","114","117","10.1016/j.inoche.2013.04.018","","","0.71073","MoKα","","0.0837","0.0488","","","0.1074","0.1236","","","","","","1.012","","","","has coordinates","272318","2022-01-28","09:13:10",""
"4350814","5.8103","0.0005","7.7152","0.0007","8.3678","0.0007","105.433","0.001","96.756","0.002","92.01","0.001","358.21","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 N2 O2 S2 -","- C12 H22 N2 O2 S2 -","- C12 H22 N2 O2 S2 -","1","0.5","","Kim, Tae Ho; Lee, Sangjin; Jeon, Youngeun; Shin, Yong Woon; Kim, Jineun","Reversible photoluminescence switch: A stair-step Cu4I4 coordination polymer based on a dithioether ligand","Inorganic Chemistry Communications","2013","33","","114","117","10.1016/j.inoche.2013.04.018","","","0.71073","MoKα","","0.0518","0.0442","","","0.1036","0.1079","","","","","","1.116","","","","has coordinates","272318","2022-01-28","09:13:10",""
"4507152","3.926","0.002","29.897","0.015","12.602","0.007","90","","96.092","0.009","90","","1470.8","1.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H22 S2 -","- C42 H22 S2 -","- C84 H44 S4 -","2","0.5","","Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang","Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties","ACS Applied Materials & Interfaces","2013","5","3","663","","10.1021/am302117k","","","0.71073","MoKα","","0.1002","0.0686","","","0.195","0.2145","","","","","","1.078","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507153","9.453","0.003","23.472","0.008","10.814","0.004","90","","115.077","0.006","90","","2173.2","1.3","133","2","133","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 S2 -","- C54 H46 S2 -","- C108 H92 S4 -","2","0.5","","Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang","Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties","ACS Applied Materials & Interfaces","2013","5","3","663","","10.1021/am302117k","","","0.71073","MoKα","","0.1493","0.087","","","0.2171","0.2539","","","","","","1.028","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507154","19.4","0.002","5.059","0.0006","22.602","0.003","90","","102.273","0.003","90","","2167.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 S2 -","- C54 H46 S2 -","- C108 H92 S4 -","2","0.5","","Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang","Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties","ACS Applied Materials & Interfaces","2013","5","3","663","","10.1021/am302117k","","","0.71073","MoKα","","0.1272","0.0712","","","0.1535","0.1828","","","","","","1.017","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507155","8.6659","0.0017","13.122","0.003","13.694","0.003","112.96","0.004","93.861","0.004","97.858","0.004","1407.9","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H70 S2 -","- C66 H68 S2 -","- C66 H68 S2 -","1","0.5","","Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang","Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties","ACS Applied Materials & Interfaces","2013","5","3","663","","10.1021/am302117k","","","0.71073","MoKα","","0.2133","0.0882","","","0.2154","0.2933","","","","","","0.998","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507156","4.582","0.004","5.431","0.005","39.03","0.04","88.589","0.015","87.513","0.015","82.764","0.019","962.4","1.6","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H30 O2 -","- C23 H30 O2 -","- C46 H60 O4 -","2","1","","Tanioku, Chiaki; Matsukawa, Kimihiro; Matsumoto, Akikazu","Thermochromism and Structural Change in Polydiacetylenes Including Carboxy and 4-Carboxyphenyl Groups as the Intermolecular Hydrogen Bond Linkages in the Side Chain","ACS Applied Materials & Interfaces","2013","5","3","940","","10.1021/am302603p","","","0.71075","MoKα","","","0.0596","","","","0.1711","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507157","9.7285","0.0003","8.443","","8.4433","0.0002","90","","90","","90","","693.51","0.03","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C3 H6 Mn N4 O4 -","- C3 H6 Mn N4 O4 -","- C12 H24 Mn4 N16 O16 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Chen, She-Yu; Su, Chong-Cheng; Chi, Kai-Ming; Lu, Kuang-Lieh","Porous Metal‒Organic Frameworks with Multiple Cages Based on Tetrazolate Ligands: Synthesis, Structures, Photoluminescence, and Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","510","","10.1021/cg3009249","","","0.71073","MoKα","","0.0254","0.022","","","0.0467","0.0471","","","","","","0.965","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507158","13.0959","0.0019","13.0959","0.0019","13.65","0.003","90","","90","","120","","2027.4","0.6","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C18 H28 Cd5 N36 O -","- C18 H27.99 Cd5 N36 O -","- C36 H55.98 Cd10 N72 O2 -","2","0.166667","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Chen, She-Yu; Su, Chong-Cheng; Chi, Kai-Ming; Lu, Kuang-Lieh","Porous Metal‒Organic Frameworks with Multiple Cages Based on Tetrazolate Ligands: Synthesis, Structures, Photoluminescence, and Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","510","","10.1021/cg3009249","","","0.71073","MoKα","","0.1272","0.0953","","","0.277","0.2961","","","","","","1.086","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507159","22.2366","0.0002","22.2366","0.0002","18.6742","0.0003","90","","90","","90","","9233.76","0.19","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C12 H19 Cd6 Cl6 N24 O0.5 -","- C12 H18 Cd6 Cl6 N24 O0.5 -","- C96 H144 Cd48 Cl48 N192 O4 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Chen, She-Yu; Su, Chong-Cheng; Chi, Kai-Ming; Lu, Kuang-Lieh","Porous Metal‒Organic Frameworks with Multiple Cages Based on Tetrazolate Ligands: Synthesis, Structures, Photoluminescence, and Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","510","","10.1021/cg3009249","","","0.71073","MoKα","","0.0792","0.0515","","","0.1205","0.134","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507160","32.703","0.011","14.7164","0.0012","13.4949","0.0013","90","","91.808","0.018","90","","6491","2","288","2","288","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C50 H82 N14 Ni2 O24 -","- C50 H82 N14 Ni2 O24 -","- C200 H328 N56 Ni8 O96 -","4","1","","Wu, Benlai; Wang, Song; Wang, Ruiying; Xu, Jinxia; Yuan, Daqiang; Hou, Hongwei","Chiral Metallocycles Templated Novel Chiral Water Frameworks","Crystal Growth & Design","2013","13","2","518","","10.1021/cg300971r","","","0.71073","MoKα","","0.0694","0.0505","","","0.1291","0.1462","","","","","","1.057","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507161","8.0276","0.0007","10.9031","0.0008","16.9025","0.0013","71.996","0.007","82.528","0.006","87.128","0.006","1394.9","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H56 N14 Ni2 O11 -","- C50 H56 N14 Ni2 O11 -","- C50 H56 N14 Ni2 O11 -","1","1","","Wu, Benlai; Wang, Song; Wang, Ruiying; Xu, Jinxia; Yuan, Daqiang; Hou, Hongwei","Chiral Metallocycles Templated Novel Chiral Water Frameworks","Crystal Growth & Design","2013","13","2","518","","10.1021/cg300971r","","","0.71073","MoKα","","0.0762","0.065","","","0.1823","0.1943","","","","","","1.037","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507162","7.6851","0.0011","11.6395","0.0016","12.7044","0.0019","105.665","0.007","102.544","0.007","93.172","0.006","1060.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H27 La O15 P3 -","- C12 H27 La O15 P3 -","- C24 H54 La2 O30 P6 -","2","1","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","","","0.71073","MoKα","","0.031","0.0261","","","0.0657","0.0671","","","","","","1.204","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507163","5.7098","0.0009","9.6259","0.0014","11.822","0.002","104.874","0.011","96.054","0.011","105.347","0.01","595.02","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 La O7 P2 -","- C8 H11 La O7 P2 -","- C16 H22 La2 O14 P4 -","2","1","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","","","0.71073","MoKα","","0.1382","0.0654","","","0.1242","0.1451","","","","","","0.956","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507164","5.717","0.002","8.694","0.003","22.649","0.008","90","","94.384","0.016","90","","1122.4","0.7","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C16 H23 La O13 P4 -","- C16 H16 La O13 P4 -","- C32 H32 La2 O26 P8 -","2","0.5","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","","","0.71073","MoKα","","0.1684","0.1443","","","0.3267","0.3368","","","","","","1.288","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507165","9.232","0.015","9.263","0.015","11.124","0.018","90.15","0.05","93.08","0.05","110.77","0.05","888","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 La O10 P3 -","- C12 H17 La O10 P3 -","- C24 H34 La2 O20 P6 -","2","1","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","","","0.71073","MoKα","","0.2594","0.0982","","","0.1943","0.2636","","","","","","0.938","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507166","21.9799","0.0007","5.45813","0.00017","10.8462","0.0003","90","","94.285","0.002","90","","1297.57","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 La O8 P2 -","- C8 H4 La O8 P2 -","- C32 H16 La4 O32 P8 -","4","1","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","powder diffraction","","1.54175","CuKα","","","","","","","","","11.395","","","","","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507167","17.6585","0.0015","10.7181","0.0009","17.9598","0.0015","90","","116.561","0.001","90","","3040.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Co3 N2 O24 -","- C48 H44 Co3 N2 O24 -","- C96 H88 Co6 N4 O48 -","2","0.5","","Huang, Wen-Huan; Yang, Guo-Ping; Chen, Jun; Chen, Xin; Zhang, Cui-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent Influence on Sizes of Channels in Three New Co(II) Complexes, Exhibiting an Active Replaceable Coordinated Site","Crystal Growth & Design","2013","13","1","66","","10.1021/cg301146u","","","0.71073","MoKα","","0.0551","0.0427","","","0.1217","0.1264","","","","","","1.022","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507168","17.438","","11.119","","18.114","","90","","115.64","","90","","3166.34","","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H66 Co3 N4 O26 -","- C58 H66 Co3 N4 O26 -","- C116 H132 Co6 N8 O52 -","2","0.5","","Huang, Wen-Huan; Yang, Guo-Ping; Chen, Jun; Chen, Xin; Zhang, Cui-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent Influence on Sizes of Channels in Three New Co(II) Complexes, Exhibiting an Active Replaceable Coordinated Site","Crystal Growth & Design","2013","13","1","66","","10.1021/cg301146u","","","0.71073","MoKα","","0.0699","0.0572","","","0.1578","0.172","","","","","","1.047","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507169","17.568","0.002","11.272","0.0013","17.955","0.002","90","","115.915","0.002","90","","3198","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 Co3 N4 O26 -","- C62 H66 Co3 N4 O26 -","- C124 H132 Co6 N8 O52 -","2","0.5","","Huang, Wen-Huan; Yang, Guo-Ping; Chen, Jun; Chen, Xin; Zhang, Cui-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent Influence on Sizes of Channels in Three New Co(II) Complexes, Exhibiting an Active Replaceable Coordinated Site","Crystal Growth & Design","2013","13","1","66","","10.1021/cg301146u","","","0.71073","MoKα","","0.0879","0.0535","","","0.1338","0.1734","","","","","","1.037","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507170","15.746","0.005","15.494","0.005","18.78","0.005","90","0.005","103.107","0.005","90","0.005","4462","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H27 Co N6 O11 -","- C39 H27 Co N6 O11 -","- C156 H108 Co4 N24 O44 -","4","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0932","0.064","","","0.1711","0.1918","","","","","","1.012","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507171","11.1233","0.0004","13.8959","0.0006","13.9541","0.0005","86.47","0.003","66.757","0.003","80.763","0.003","1956.11","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H27 Cl2 Co N6 O11 -","- C40 H27 Cl2 Co N6 O11 -","- C80 H54 Cl4 Co2 N12 O22 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0614","0.0542","","","0.1333","0.1384","","","","","","1.028","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507172","11.0105","0.0007","15.6825","0.0011","17.8843","0.0008","111.061","0.005","103.503","0.005","99.944","0.005","2687.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 Co N7 O20 -","- C50 H46 Co N7 O20 -","- C100 H92 Co2 N14 O40 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0703","0.0587","","","0.1559","0.1653","","","","","","1.048","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507173","15.4107","0.0008","19.9408","0.0009","16.008","0.0007","90","","93.073","0.005","90","","4912.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 Co N7 O12 -","- C50 H46 Co N7 O12 -","- C200 H184 Co4 N28 O48 -","4","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0717","0.0551","","","0.139","0.149","","","","","","1.033","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507174","11.661","0.005","14.927","0.005","16.137","0.005","109.277","0.005","108.348","0.005","98.36","0.005","2417.2","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H53 Co N6 O25 -","- C42 H52.46 Co N6 O25 -","- C84 H104.92 Co2 N12 O50 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0845","0.0594","","","0.1399","0.1511","","","","","","1.023","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507175","9.151","0.005","15.215","0.005","15.957","0.005","106.78","0.005","96.311","0.005","105.69","0.005","2004.8","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Co N6 O15 -","- C42 H28 Co N6 O15 -","- C84 H56 Co2 N12 O30 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.2172","0.1386","","","0.2565","0.2983","","","","","","1.115","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507176","13.786","0.005","13.876","0.005","15.715","0.005","101.88","0.005","92.772","0.005","118.48","0.005","2548","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H33 Co N7 O17 -","- C45 H33 Co N7 O17 -","- C90 H66 Co2 N14 O34 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0859","0.0769","","","0.2087","0.217","","","","","","1.057","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507177","13.137","0.005","13.137","0.005","15.308","0.005","90","0.005","90","0.005","90","0.005","2641.9","1.7","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C13.5 H5 Co0.25 N2.5 O5 -","- C13.5 H5 Co0.25 N2.5 O5 -","- C108 H40 Co2 N20 O40 -","8","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0689","0.0652","","","0.1641","0.1671","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507178","7.7839","0.0003","8.7456","0.0003","11.0365","0.0004","90","","90","","90","","751.31","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Lithium D-isoascorbate","","- C6 H9 Li O7 -","- C6 H9 Li O7 -","- C24 H36 Li4 O28 -","4","1","","Rao, K. Raghavendra; Aneesh, C.; Bhat, H. L.; Elizabeth, Suja; Pavan, M. S.; Guru Row, Tayur N.","Lithiumd-Isoascorbate Monohydrate, a New Nonlinear Optical Material","Crystal Growth & Design","2013","13","1","97","","10.1021/cg301214n","","","0.71073","MoKα","","0.0297","0.0275","","","0.0661","0.0675","","","","","","1.04","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507179","14.052","0.002","29.581","0.005","13.319","0.002","90","","90","","90","","5536.3","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H38 N6 O12 Pb3 -","- C66 H38 N6 O12 Pb3 -","- C264 H152 N24 O48 Pb12 -","4","1","","Li, Lina; Zhang, Shuquan; Han, Liang; Sun, Zhihua; Luo, Junhua; Hong, Maochun","A Non-Centrosymmetric Dual-Emissive Metal‒Organic Framework with Distinct Nonlinear Optical and Tunable Photoluminescence Properties","Crystal Growth & Design","2013","13","1","106","","10.1021/cg301243e","","","0.71073","MoKα","","0.065","0.054","","","0.1256","0.1433","","","","","","1.09","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507180","8.714","0.002","31.611","0.005","12.487","0.003","90","","92.04","0.03","90","","3437.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","dibrucinium N-(3,5-dinitrobenzoyl)-DL-alaninate methanol 3-solvate","","- C69 H82 N10 O25 -","- C69 H82 N10 O25 -","- C138 H164 N20 O50 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.071","0.0477","","","0.0975","0.108","","","","","","0.991","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507181","8.49","0.002","12.588","0.003","32.933","0.005","90","","94.56","0.03","90","","3508.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","dibrucinium N-(3,5-dinitrobenzoyl)-DL-alaninate 5.75-hydrate","","- C66 H81.5 N10 O27.75 -","- C65.994 H79.437 N9.999 O27.715 -","- C131.988 H158.874 N19.998 O55.43 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.1288","0.0674","","","0.1472","0.1682","","","","","","0.931","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507182","8.713","0.002","12.556","0.003","32.959","0.006","90","","92.74","0.03","90","","3601.6","1.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-(3,5-dinitrobenzoyl)-D-alaninate methanol 0.83-solvate 2.17-hydrate","","","- C33.84 H42.67 N5 O14 -","- C33.836 H42.672 N5 O14 -","- C135.344 H170.688 N20 O56 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.2364","0.0693","","","0.1295","0.1707","","","","","","0.855","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507183","12.14","0.003","14.708","0.003","38.52","0.004","90","","90","","90","","6878","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(3,5-dinitrobenzoyl)-L-alaninate 3.58-hydrate","","","- C33 H42.16 N5 O14.58 -","- C33 H42.186 N5 O14.593 -","- C264 H337.488 N40 O116.744 -","8","2","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.0629","0.0372","","","0.0699","0.0752","","","","","","0.886","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507184","13.994","0.002","32.022","0.005","13.811","0.003","90","","90","","90","","6188.9","1.9","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","dibrucinium N-(3,5-dinitrobenzoyl)-DL-serinate 0.1-hydrate","","- C66 H70.2 N10 O24.1 -","- C66 H70 N10 O24.1 -","- C264 H280 N40 O96.4 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.0729","0.0394","","","0.0781","0.0909","","","","","","0.906","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507185","30.397","0.004","14.143","0.003","8.675","0.002","90","","105.45","0.03","90","","3594.7","1.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-(3,5-dinitrobenzoyl)-D-serinate methanol 2.5-solvate","","- C35.5 H45 N5 O14.5 -","- C35.5 H45 N5 O14.5 -","- C142 H180 N20 O58 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.0306","0.0289","","","0.076","0.0767","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507186","12.212","0.003","14.727","0.003","38.569","0.005","90","","90","","90","","6936","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3,5-dinitrobenzoyl)-L-serinate 3.88-hydrate","","- C33 H42.77 N5 O15.89 -","- C33 H42.7655 N5 O15.8825 -","- C264 H342.124 N40 O127.06 -","8","2","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","1.54175","CuKα","","0.1533","0.0724","","","0.1554","0.1938","","","","","","0.807","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507187","5.995","0.002","8.996","0.01","7.986","0.004","90","","98.63","0.04","90","","425.8","0.5","296","2","296","2","600000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","thiourea monohydrate","","- C H6 N2 O S -","- C H6 N2 O S -","- C4 H24 N8 O4 S4 -","4","1","","Tomkowiak, Hanna; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Dependent Formation and Decomposition of Thiourea Hydrates","Crystal Growth & Design","2013","13","1","121","","10.1021/cg301254a","","","0.71073","MoKα","","0.0799","0.0725","","","0.1432","0.1458","","","","","","1.478","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507188","5.9685","0.0008","8.82","0.004","7.9218","0.0013","90","","98.93","0.013","90","","412","0.2","296","2","296","2","1200000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","thiourea monohydrate","","- C H6 N2 O S -","- C H6 N2 O S -","- C4 H24 N8 O4 S4 -","4","1","","Tomkowiak, Hanna; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Dependent Formation and Decomposition of Thiourea Hydrates","Crystal Growth & Design","2013","13","1","121","","10.1021/cg301254a","","","0.71073","MoKα","","0.0667","0.0501","","","0.0957","0.0976","","","","","","1.21","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507189","8.02","0.002","8.649","0.006","16.645","0.011","90","","90.78","0.05","90","","1154.5","1.1","296","2","296","2","700000","","","","","","","5","C 1 2/c 1","-C 2yc","15","","thiourea hydrate","","- C H5.33 N2 O0.67 S -","- C H5.33333 N2 O0.666667 S -","- C12 H64 N24 O8 S12 -","12","1.5","","Tomkowiak, Hanna; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Dependent Formation and Decomposition of Thiourea Hydrates","Crystal Growth & Design","2013","13","1","121","","10.1021/cg301254a","","","0.71073","MoKα","","0.1864","0.1761","","","0.3419","0.3463","","","","","","2.116","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507190","7.968","0.002","8.5877","0.0013","16.554","0.009","90","","91.01","0.04","90","","1132.6","0.7","296","2","296","2","950000","","","","","","","5","C 1 2/c 1","-C 2yc","15","","thiourea hydrate","","- C H5.33 N2 O0.67 S -","- C H5.33333 N2 O0.666667 S -","- C12 H64 N24 O8 S12 -","12","1.5","","Tomkowiak, Hanna; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Dependent Formation and Decomposition of Thiourea Hydrates","Crystal Growth & Design","2013","13","1","121","","10.1021/cg301254a","","","0.71073","MoKα","","0.0591","0.0551","","","0.1311","0.1359","","","","","","1.132","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507191","15.5683","0.0009","10.6851","0.0006","17.5607","0.0011","90","","108.342","0.007","90","","2772.8","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1H-Form-I","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene","","- C33 H36 O3 -","- C33 H36 O3 -","- C132 H144 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.0759","0.0498","","","0.1188","0.138","","","","","","1.034","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507192","13.9797","0.0015","14.1323","0.0014","17.0214","0.0014","89.651","0.007","71.309","0.008","62.366","0.01","2781.1","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1H-Form-II","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene","","- C33 H36 O3 -","- C33 H36 O3 -","- C132 H144 O12 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.2064","0.0675","","","0.121","0.1672","","","","","","0.9","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507193","18.468","0.002","9.124","0.01","20.1596","0.0018","90","","105.063","0.011","90","","3280","4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1H-EAC","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , ethyl acetate solvate","","- C37 H44 O5 -","- C37 H44 O5 -","- C148 H176 O20 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.1324","0.0643","","","0.1395","0.174","","","","","","1.039","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507194","13.5252","0.0006","9.1498","0.0004","27.7088","0.0014","90","","102.48","0.005","90","","3348","0.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1H-DXN","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , dioxane","","- C39 H48 O6 -","- C39 H48 O6 -","- C156 H192 O24 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.1251","0.0551","","","0.0765","0.0991","","","","","","0.877","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507195","10.3727","0.0005","13.5083","0.0005","13.7846","0.0006","90.136","0.003","111.302","0.004","105.89","0.004","1719.53","0.14","150","2","150","2","","","","","","","","3","P -1","-P 1","2","1H-PXL","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , p-xylene","","- C41 H46 O3 -","- C41 H46 O3 -","- C82 H92 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.078","0.0454","","","0.1011","0.1148","","","","","","1.015","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507196","14.0157","0.0003","13.5113","0.0003","16.6427","0.0004","90","","93.771","0.002","90","","3144.81","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1H-PYD","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , pyridine","","- C38 H41 N O3 -","- C38 H41 N O3 -","- C152 H164 N4 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.0726","0.0439","","","0.0894","0.1028","","","","","","1.008","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507197","12.8664","0.0014","13.2172","0.0016","13.723","0.002","118.504","0.013","95.59","0.01","96.917","0.009","2003.6","0.5","150","2","150","2","","","","","","","","3","P -1","-P 1","2","1H-BEN","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , benzene","","- C48 H51 O3 -","- C48 H51 O3 -","- C96 H102 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.1689","0.0679","","","0.1136","0.154","","","","","","1.01","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507198","11.916","0.0006","13.9655","0.0008","20.9031","0.001","100.499","0.004","97.836","0.004","115.047","0.005","3008.4","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1H-THF(1)","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrahydrofuran","","- C70 H80 O7 -","- C70 H80 O7 -","- C140 H160 O14 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.71073","MoKα","","0.2335","0.0652","","","0.1278","0.1926","","","","","","0.919","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507199","13.5713","0.0012","10.3703","0.0009","22.865","0.002","90","","92.697","0.008","90","","3214.4","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1H-THF(2)","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrahydrofuran(2)","","- C37 H44 O4 -","- C35 H40 O3.5 -","- C140 H160 O14 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.1671","0.1165","","","0.3321","0.3827","","","","","","1.255","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507200","11.9291","0.0014","14.0095","0.0019","20.825","0.002","99.951","0.011","98.158","0.009","115.35","0.02","3005.4","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1H-CLF","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , chloroform","","- C67 H73 Cl3 O6 -","- C67 H73 Cl3 O6 -","- C134 H146 Cl6 O12 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.2861","0.0815","","","0.1918","0.2886","","","","","","0.937","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507201","9.7646","0.0003","12.9702","0.0004","14.745","0.0005","74.088","0.003","89.036","0.003","78.281","0.003","1756.95","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","1H-TCM(1)","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrachloromethane (1)","","- C34.5 H36 Cl6 O3 -","- C34.5 H36 Cl5.997 O3 -","- C69 H72 Cl11.994 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.0937","0.071","","","0.1754","0.1934","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507202","13.59","0.0007","10.4856","0.0005","22.5449","0.0011","90","","92.837","0.005","90","","3208.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1H-TCM(2)","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrachloromethane (2)","","- C34 H36 Cl4 O3 -","- C34 H36 Cl4 O3 -","- C136 H144 Cl16 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.2236","0.0783","","","0.1559","0.2216","","","","","","0.937","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507203","9.7487","0.001","11.0061","0.0015","15.1631","0.0018","90","","94.36","0.011","90","","1622.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cu3 N6 O5 -","- C13 H14 Cu3 N6 O5 -","- C52 H56 Cu12 N24 O20 -","4","1","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.0984","0.0448","","","0.0733","0.0874","","","","","","1.061","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507204","26.625","0.007","26.625","0.007","20.024","0.007","90","","90","","120","","12293","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H21 Cu3 N6 O8.5 -","- C13 H21 Cu3 N6 O8.5 -","- C234 H378 Cu54 N108 O153 -","18","1","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.1307","0.066","","","0.1613","0.1725","","","","","","0.952","","","","has coordinates,has disorder","188994","2020-10-21","18:00:00",""
"4507205","4.863","0.0007","13.578","0.002","9.3241","0.0013","90","","95.563","0.002","90","","612.77","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu N4 O4 -","- C10 H12 Cu N4 O4 -","- C20 H24 Cu2 N8 O8 -","2","0.5","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.0249","0.0226","","","0.0709","0.0727","","","","","","1.059","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507206","22.429","0.0008","22.429","0.0008","10.2923","0.0007","90","","90","","90","","5177.6","0.4","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H26 Cu N8 O8 -","- C20 H26 Cu N8 O8 -","- C160 H208 Cu8 N64 O64 -","8","0.5","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.0554","0.0317","","","0.0421","0.044","","","","","","1.039","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507207","26.795","0.005","26.795","0.005","19.751","0.004","90","","90","","120","","12281","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H18 Cu3 N6 O8 -","- C14 H17 Cu3 N6 O7.45 -","- C252 H306 Cu54 N108 O134.1 -","18","1","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.1032","0.0778","","","0.2227","0.2617","","","","","","1.082","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507208","7.9085","0.0016","11.011","0.002","21.752","0.004","90","","90","","90","","1894.2","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-hydroxyethylammonium benzoate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0459","0.034","","","0.09","0.0958","","","","","","1.012","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507209","9.795","0.002","26.905","0.005","7.989","0.0016","90","","90","","90","","2105.4","0.7","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","2-hydroxyethylammonium 4-methylbenzoate","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C80 H120 N8 O24 -","8","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","1.54184","CuKα","","0.0499","0.0375","","","0.1027","0.1091","","","","","","1.008","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507210","6.189","0.0012","14.891","0.003","23.594","0.005","90","","90","","90","","2174.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-hydroxyethylammonium 4-metoxybenzoate","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C80 H120 N8 O32 -","8","2","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0665","0.0474","","","0.1272","0.1355","","","","","","1.006","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507211","21.318","0.004","4.499","0.0009","11.179","0.002","90","","116.69","0.03","90","","957.9","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-hydroxyethylammonium 4-hydroxybenzoate","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C36 H52 N4 O16 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","1.54184","CuKα","","0.029","0.0286","","","0.0831","0.0836","","","","","","1.037","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507212","6.0255","0.0012","7.3836","0.0015","23.049","0.005","90","","90","","90","","1025.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-hydroxyethylammonium 4-chlorobenzoate","","- C9 H12 Cl N O3 -","- C9 H12 Cl N O3 -","- C36 H48 Cl4 N4 O12 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0319","0.0258","","","0.0556","0.0572","","","","","","1.017","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507213","6.029","0.0012","7.352","0.0015","23.192","0.005","90","","90","","90","","1028","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-hydroxyethylammonium 4-bromobenzoate","","- C9 H12 Br N O3 -","- C9 H12 Br N O3 -","- C36 H48 Br4 N4 O12 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","1.54184","CuKα","","0.0185","0.0183","","","0.0543","0.0545","","","","","","1.003","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507214","6.029","0.0012","7.352","0.0015","23.192","0.005","90","","90","","90","","1028","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-hydroxyethylammonium 4-iodobenzoate","","- C9 H12 I N O3 -","- C9 H12 I N O3 -","- C36 H48 I4 N4 O12 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0497","0.0494","","","0.1252","0.1255","","","","","","1.019","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507215","13.953","0.003","9.914","0.002","10.176","0.002","90","","104.151","0.004","90","","1364.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cobalt carboxylate","","","- C14 H12 Co O7 -","- C14 H12 Co O7 -","- C56 H48 Co4 O28 -","4","1","","Mahata, Partha; Draznieks, Caroline-Mellot; Roy, Partha; Natarajan, Srinivasan","Solid State and Solution Mediated Multistep Sequential Transformations in Metal‒Organic Coordination Networks","Crystal Growth & Design","2013","13","1","155","","10.1021/cg301306m","","","0.71073","MoKα","","0.1008","0.0609","","","0.1217","0.147","","","","","","1.115","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507216","13.262","0.003","11.519","0.002","9.2992","0.0018","90","","90.913","0.004","90","","1420.4","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Cobalt Carboxylate","","","- C17 H12 Co0.5 N2 O2.5 -","- C17 H12 Co0.5 N2 O2.5 -","- C68 H48 Co2 N8 O10 -","4","1","","Mahata, Partha; Draznieks, Caroline-Mellot; Roy, Partha; Natarajan, Srinivasan","Solid State and Solution Mediated Multistep Sequential Transformations in Metal‒Organic Coordination Networks","Crystal Growth & Design","2013","13","1","155","","10.1021/cg301306m","","","0.71073","MoKα","","0.0615","0.0455","","","0.0984","0.1061","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507217","13.321","0.002","13.809","0.002","19.818","0.003","90","","101.154","0.003","90","","3576.7","0.9","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Manganese Carboxylate","","","- C38 H24 Mn2 N2 O10 -","- C38 H24 Mn2 N2 O10 -","- C152 H96 Mn8 N8 O40 -","4","1","","Mahata, Partha; Draznieks, Caroline-Mellot; Roy, Partha; Natarajan, Srinivasan","Solid State and Solution Mediated Multistep Sequential Transformations in Metal‒Organic Coordination Networks","Crystal Growth & Design","2013","13","1","155","","10.1021/cg301306m","","","0.71073","MoKα","","0.0784","0.0483","","","0.0971","0.1094","","","","","","1.047","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507218","11.4957","0.0008","11.4957","0.0008","37.257","0.004","90","","90","","90","","4923.6","0.7","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H23 Co N3 O5 -","- C27 H22 Co N3 O5 -","- C216 H176 Co8 N24 O40 -","8","1","","Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle; Öhrström Lars","Concomitant Metal Organic Frameworks of Cobalt(II) and 3-(4-Pyridyl)benzoate: Optimized Synthetic Conditions of Solvatochromic and Thermochromic Systems","Crystal Growth & Design","2013","13","2","633","","10.1021/cg301312v","","","0.71073","MoKα","","0.079","0.0658","","","0.1384","0.1432","","","","","","1.179","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507219","10.0496","0.0014","13.6781","0.0019","23.552","0.003","90","","94.541","0.003","90","","3227.3","0.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 Br Co N6 O4 -","- C32 H33 Br Co N6 O4 -","- C128 H132 Br4 Co4 N24 O16 -","4","1","","Bisht, Kamal Kumar; Suresh, Eringathodi","Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies","Crystal Growth & Design","2013","13","2","664","","10.1021/cg301329c","","","0.71073","MoKα","","0.1286","0.0885","","","0.1462","0.1606","","","","","","1.168","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507220","10.172","0.006","14.001","0.008","17.235","0.01","100.546","0.011","94.864","0.011","105.435","0.011","2303","2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 Br3 N4 O14 Zn2 -","- C40 H31 Br3 N4 O14 Zn2 -","- C80 H62 Br6 N8 O28 Zn4 -","2","1","","Bisht, Kamal Kumar; Suresh, Eringathodi","Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies","Crystal Growth & Design","2013","13","2","664","","10.1021/cg301329c","","","0.71073","MoKα","","0.1585","0.0874","","","0.1744","0.2016","","","","","","0.983","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507221","9.594","0.005","11.921","0.008","13.227","0.007","93.933","0.013","106.926","0.01","113.703","0.008","1295.1","1.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Co N2 O7 S -","- C26 H26 Co N2 O7 S -","- C52 H52 Co2 N4 O14 S2 -","2","1","","Bisht, Kamal Kumar; Suresh, Eringathodi","Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies","Crystal Growth & Design","2013","13","2","664","","10.1021/cg301329c","","","0.71073","MoKα","","0.0565","0.0532","","","0.1401","0.1429","","","","","","1.06","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507222","11.2894","0.0016","11.4307","0.0016","12.8725","0.0018","98.167","0.003","95.654","0.003","109.315","0.002","1532.8","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Co N2 O6 S -","- C22 H18 Co N2 O6 S -","- C44 H36 Co2 N4 O12 S2 -","2","1","","Bisht, Kamal Kumar; Suresh, Eringathodi","Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies","Crystal Growth & Design","2013","13","2","664","","10.1021/cg301329c","","","0.71073","MoKα","","0.0601","0.0558","","","0.1791","0.1881","","","","","","1.131","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507223","10.19979","0.00012","10.19979","","10.19979","","90","","90","","90","","1061.14","0.012","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Na4 Si23 -","- Na4 Si23 -","- Na8 Si46 -","2","0.0416667","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.23702","","1.15","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507224","10.1961","0.0007","10.1961","0.0007","10.1961","0.0007","90","","90","","90","","1059.99","0.13","293","2","293","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Na8 Si46 -","- Na8 Si46 -","- Na8 Si46 -","1","0.0208333","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","","","0.71073","MoKα","","0.052","0.0306","","","0.0333","0.0358","","","","","","1.003","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507225","14.71667","0.00008","14.71667","","14.71667","","90","","90","","90","","3187.34","0.017","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na3 Si17 -","- Na3 Si17 -","- Na24 Si136 -","8","0.0416667","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507226","5.43","","5.43","","5.43","","90","","90","","90","","160.103","","","","","","","","","","","","","1","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Si -","- Si -","- Si16 -","16","0.0833333","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507227","14.7156","0.0001","14.7156","0.0001","14.7156","0.0001","90","","90","","90","","3186.65","0.04","293","2","293","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na24 Si136 -","- Na24 Si136 -","- Na24 Si136 -","1","0.00520833","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","","","0.71073","MoKα","","0.0662","0.063","","","0.0879","0.0885","","","","","","1.577","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507228","12.036","0.002","16.838","0.003","40.383","0.008","90","","90.46","0.03","90","","8184","3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C105 H95 N10 O20 Zn4 -","- C105 H95 N10 O20 Zn4 -","- C210 H190 N20 O40 Zn8 -","2","0.5","","Nickerl, Georg; Notzon, Andreas; Heitbaum, Maja; Senkovska, Irena; Glorius, Frank; Kaskel, Stefan","Selective Adsorption Properties of Cationic Metal‒Organic Frameworks Based on Imidazolic Linker","Crystal Growth & Design","2013","13","1","198","","10.1021/cg301347t","","","0.71073","MoKα","","0.0744","0.0483","","","0.1097","0.1139","","","","","","0.991","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507229","27.597","0.004","27.597","0.004","21.871","0.004","90","","90","","120","","14425","4","293","2","293","2","","","100","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C42 H34 Cu2 N4 O10 -","- C42 H34 Cu2 N4 O10 -","- C252 H204 Cu12 N24 O60 -","6","0.5","","Nickerl, Georg; Notzon, Andreas; Heitbaum, Maja; Senkovska, Irena; Glorius, Frank; Kaskel, Stefan","Selective Adsorption Properties of Cationic Metal‒Organic Frameworks Based on Imidazolic Linker","Crystal Growth & Design","2013","13","1","198","","10.1021/cg301347t","","x-ray","0.88561","synchrotron","","0.0642","0.0594","","","0.1818","0.1882","","","","","","1.088","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507230","30.1777","0.0017","21.4903","0.0016","33.5299","0.0018","90","","90","","90","","21745","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C117 H72 N3 O18 Zn4 -","- C117 H72 N3 O18 Zn4 -","- C468 H288 N12 O72 Zn16 -","4","1","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Stable Mg-Metal‒Organic Framework (MOF) and Unstable Zn-MOF Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand","Crystal Growth & Design","2013","13","1","6","","10.1021/cg3013574","","","0.71073","MoKα","","0.1213","0.0681","","","0.1583","0.1788","","","","","","0.91","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507231","8.4319","0.0009","12.8251","0.0013","20.924","0.005","73.462","0.016","84.692","0.013","78.307","0.009","2122.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H70 Mg3 N4 O16 -","- C86 H70 Mg3 N4 O16 -","- C86 H70 Mg3 N4 O16 -","1","0.5","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Stable Mg-Metal‒Organic Framework (MOF) and Unstable Zn-MOF Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand","Crystal Growth & Design","2013","13","1","6","","10.1021/cg3013574","","","0.71073","MoKα","","0.0994","0.0921","","","0.2274","0.2306","","","","","","1.105","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507232","13.402","0.002","6.798","0.003","6.9428","0.0007","90","","90","","90","","632.5","0.3","296","2","296","2","","","60000","","","","","3","P n a 21","P 2c -2n","33","benzimidazole phase αlpha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0746","0.0649","","","0.1197","0.1234","","","","","","1.118","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507233","13.189","0.008","6.7596","0.0011","6.9528","0.0014","90","","90","","90","","619.9","0.4","296","2","296","2","","","160000","","","","","3","P n a 21","P 2c -2n","33","benzimidazole phase αlpha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1134","0.0989","","","0.2548","0.2635","","","","","","1.237","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507234","13.098","0.015","6.765","0.008","6.963","0.009","90","","90","","90","","617","1.3","293","2","296","2","","","230000","","","","","3","P n a 21","P 2c -2n","33","benzimidazole phase αlpha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1714","0.1108","","","0.2451","0.2758","","","","","","1.114","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507235","9.6053","0.0016","16.021","0.003","7.4386","0.0014","90","","90","","90","","1144.7","0.4","296","2","296","2","","","620000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0889","0.0739","","","0.1655","0.1747","","","","","","1.206","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507236","9.55","0.003","15.84","0.015","7.367","0.004","90","","90","","90","","1114.4","1.3","296","2","296","2","","","1050000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1618","0.1297","","","0.2116","0.223","","","","","","1.262","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507237","9.523","0.0017","15.651","0.003","7.3106","0.0015","90","","90","","90","","1089.6","0.4","296","2","296","2","","","1410000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0633","0.0519","","","0.109","0.115","","","","","","1.219","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507238","9.4896","0.0015","15.564","0.003","7.2671","0.0014","90","","90","","90","","1073.3","0.3","296","2","296","2","","","1720000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0584","0.0479","","","0.1118","0.1196","","","","","","0.952","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507239","9.4697","0.0015","15.511","0.003","7.2413","0.0014","90","","90","","90","","1063.6","0.3","296","2","296","2","","","1920000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0564","0.0477","","","0.0959","0.0997","","","","","","1.274","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507240","9.4365","0.0016","15.444","0.003","7.2004","0.0015","90","","90","","90","","1049.4","0.3","296","2","296","2","","","2240000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0672","0.0561","","","0.1087","0.1136","","","","","","1.305","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507241","9.821","0.006","7.969","0.005","13.109","0.009","90","","90","","90","","1026","1.1","296","2","296","2","","","2230000","","","","","3","P b c a","-P 2ac 2ab","61","benzimidazole phase γamma","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1525","0.1234","","","0.2058","0.2175","","","","","","1.22","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507242","9.81","0.007","7.966","0.005","13.074","0.009","90","","90","","90","","1021.7","1.2","296","2","296","2","","","2270000","","","","","3","P b c a","-P 2ac 2ab","61","benzimidazole phase γamma","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1879","0.1407","","","0.1889","0.2033","","","","","","1.401","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507243","9.782","0.006","7.859","0.004","12.967","0.008","90","","90","","90","","996.9","1","296","2","296","2","","","2900000","","","","","3","P b c a","-P 2ac 2ab","61","benzimidazole phase γamma","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1557","0.1222","","","0.1935","0.2064","","","","","","1.241","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507244","8.2688","0.0003","6.3458","0.0002","12.8427","0.0004","90","","106.785","0.0007","90","","645.17","0.04","90","1","90","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 N7 O2 -","- C12 H15 N7 O2 -","- C24 H30 N14 O4 -","2","0.5","","Jarzembska, Katarzyna N.; Goral, Anna M.; Gajda, Roman; Dominiak, Paulina M.","Hoogsteen‒Watson‒Crick 9-Methyladenine:1-Methylthymine Complex: Charge Density Study in the Context of Crystal Engineering and Nucleic Acid Base Pairing","Crystal Growth & Design","2013","13","1","239","","10.1021/cg301393e","","","0.71073","MoKα","","0.0151","0.0151","","","0.0207","0.0207","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507245","7.4877","0.0005","12.2678","0.0006","7.6797","0.0005","90","","112.11","0.007","90","","653.56","0.08","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 N5 -","- C6 H7 N5 -","- C24 H28 N20 -","4","1","","Jarzembska, Katarzyna N.; Goral, Anna M.; Gajda, Roman; Dominiak, Paulina M.","Hoogsteen‒Watson‒Crick 9-Methyladenine:1-Methylthymine Complex: Charge Density Study in the Context of Crystal Engineering and Nucleic Acid Base Pairing","Crystal Growth & Design","2013","13","1","239","","10.1021/cg301393e","","","0.71073","Mo-Kα","","0.0268","0.0268","","","0.0275","0.0275","","","","","","1.262","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507246","16.829","0.003","14.358","0.003","11.977","0.002","90","","118.15","0.03","90","","2551.7","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Mg2 O14 -","- C17 H18 Mg2 O14 -","- C68 H72 Mg8 O56 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0751","0.0678","","","0.199","0.2069","","","","","","1.064","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507247","16.791","0.003","14.107","0.003","12.228","0.002","90","","119.02","0.03","90","","2532.8","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Co2 N0 O14 -","- C17 H18 Co2 O14 -","- C68 H72 Co8 O56 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0594","0.051","","","0.1639","0.173","","","","","","1.097","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507248","9.942","0.011","10.426","0.011","12.77","0.014","109.996","0.011","107.303","0.01","92.141","0.009","1173","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Cd3 N2 O21 -","- C38 H38 Cd3 N2 O21 -","- C38 H38 Cd3 N2 O21 -","1","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0784","0.0776","","","0.2138","0.2146","","","","","","1.097","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507249","14.271","0.003","14.432","0.003","22.549","0.005","90","","99.86","0.03","90","","4575.6","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cd2 N O12 -","- C21 H21 Cd2 N O12 -","- C84 H84 Cd8 N4 O48 -","4","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.05","0.0455","","","0.1359","0.1391","","","","","","1.092","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507250","9.953","0.004","24.553","0.009","17.799","0.006","90","","90","","90","","4350","3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C17 H8 In N0 O9 -","- C17 H8 In O9 -","- C68 H32 In4 O36 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0636","0.0606","","","0.1751","0.1785","","","","","","1.075","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507251","14.737","0.003","16.423","0.004","16.618","0.004","90","","90","","90","","4022","1.6","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H8 Eu N0 O9 -","- C17 H8 Eu O9 -","- C136 H64 Eu8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0471","0.0471","","","0.1199","0.1199","","","","","","1.132","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507252","14.6641","0.001","16.3979","0.0008","16.5888","0.0008","90","","90","","90","","3989","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H8 Gd O9 -","- C17 H8 Gd O9 -","- C136 H64 Gd8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0455","0.0394","","","0.0933","0.0954","","","","","","1.11","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507253","14.748","0.003","16.301","0.004","16.572","0.004","90","","90","","90","","3984","1.6","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H8 N0 O9 Tb -","- C17 H8 O9 Tb -","- C136 H64 O72 Tb8 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.05","0.0488","","","0.1222","0.1232","","","","","","1.081","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507254","14.7885","0.001","16.1587","0.0008","16.5084","0.0008","90","","90","","90","","3944.9","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H8 Dy O9 -","- C17 H8 Dy O9 -","- C136 H64 Dy8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0408","0.0378","","","0.0853","0.0866","","","","","","1.151","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507255","14.8769","0.0015","16.0349","0.0013","16.5271","0.0013","90","","90","","90","","3942.5","0.6","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H0 Ho O9 -","- C17 H8 Ho O9 -","- C136 H64 Ho8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.1138","0.0981","","","0.2368","0.2447","","","","","","1.111","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507256","10.8786","0.0007","10.8786","0.0007","16.466","0.002","90","","90","","90","","1948.7","0.3","293","2","293","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C17 H8 O9 Yb -","- C17 H8 O9 Yb -","- C68 H32 O36 Yb4 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.071","0.057","","","0.1286","0.1357","","","","","","1.087","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507257","10.8801","0.0003","10.8801","0.0003","16.4712","0.0006","90","","90","","90","","1949.8","0.1","298","2","298","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C17 H8 O9 Yb -","- C17 H8 O9 Yb -","- C68 H32 O36 Yb4 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0467","0.042","","","0.1094","0.1118","","","","","","1.106","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507258","11.806","0.007","13.182","0.008","14.862","0.009","100.076","0.007","101.519","0.007","107.103","0.007","2098","2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H36.5 Ag3 N6 -","- C46.5 H33 Ag3 N6 -","- C93 H66 Ag6 N12 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.0441","0.0349","","","0.1093","0.1155","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507259","14.082","0.004","15.035","0.004","16.149","0.005","115.984","0.006","100.687","0.005","100.292","0.006","2886.5","1.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H54 Ag6 N12 -","- C60 H54 Ag6 N12 -","- C120 H108 Ag12 N24 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.133","0.0529","","","0.1136","0.1529","","","","","","0.908","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507260","7.617","0.006","14.224","0.011","15.311","0.012","108.204","0.009","102.225","0.01","90.82","0.01","1534","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 Ag3 N6 O -","- C31 H31 Ag3 N6 O -","- C62 H62 Ag6 N12 O2 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.0663","0.044","","","0.1178","0.1337","","","","","","0.977","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507261","10.289","0.002","27.383","0.006","15.356","0.003","90","","91.952","0.004","90","","4323.9","1.5","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C91 H62 Ag6 Br6 Cl2 N12 -","- C91 H62 Ag6 Br6 Cl2 N12 -","- C182 H124 Ag12 Br12 Cl4 N24 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.1432","0.0595","","","0.0991","0.1471","","","","","","0.874","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507262","30.132","0.004","17.197","0.002","17.427","0.002","90","","98.396","0.002","90","","8933.5","1.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Au3 Br3 Cl2 N6 -","- C46 H32 Au3 Br3 Cl2 N6 -","- C368 H256 Au24 Br24 Cl16 N48 -","8","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.0377","0.0254","","","0.054","0.0672","","","","","","1.048","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507263","11.144","0.018","11.983","0.009","13.076","0.01","113.598","0.01","100.645","0.013","101.305","0.013","1500","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 Ag3 Br3 N6 -","- C21 H30 Ag3 Br3 N6 -","- C42 H60 Ag6 Br6 N12 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.1003","0.0526","","","0.1324","0.1506","","","","","","1.107","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507264","7.624","0.006","14.456","0.012","14.713","0.012","114.799","0.008","91.26","0.01","94.63","0.01","1464","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Ag3 Cl3 N6 -","- C27 H18 Ag3 Cl3 N6 -","- C54 H36 Ag6 Cl6 N12 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.1013","0.0577","","","0.1628","0.2004","","","","","","1.03","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507265","11.05","0.003","11.05","0.003","27.772","0.01","90","","90","","120","","2936.7","1.5","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C26 H20 Co2 N2 O11 -","- C26 H20 Co2 N2 O11 -","- C78 H60 Co6 N6 O33 -","3","0.5","","Hou, Lei; Liu, Bin; Jia, Li-Na; Wei, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two New (3,6)-Connected Frameworks Based on an Unsymmetrical Tritopic Pyridyldicarboxylate Ligand and Co2Dimer: Structures, Magnetic, and Sorption Properties","Crystal Growth & Design","2013","13","2","701","","10.1021/cg301413u","","","0.71073","MoKα","","0.0502","0.0421","","","0.0994","0.1012","","","","","","0.941","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507266","6.404","0.003","16.046","0.007","25.698","0.011","106.593","0.006","96.038","0.006","92.975","0.006","2507.4","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 Co4 N4 O24 -","- C52 H44 Co4 N4 O24 -","- C104 H88 Co8 N8 O48 -","2","1","","Hou, Lei; Liu, Bin; Jia, Li-Na; Wei, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two New (3,6)-Connected Frameworks Based on an Unsymmetrical Tritopic Pyridyldicarboxylate Ligand and Co2Dimer: Structures, Magnetic, and Sorption Properties","Crystal Growth & Design","2013","13","2","701","","10.1021/cg301413u","","","0.71073","MoKα","","0.1079","0.0707","","","0.1578","0.1939","","","","","","1.05","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507267","8.903","0.001","11.587","0.001","14.291","0.001","82.47","0.01","82.03","0.01","84.27","0.01","1442.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl2 Cu N8 O8 -","- C28 H20 Cl2 Cu N8 O8 -","- C56 H40 Cl4 Cu2 N16 O16 -","2","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0582","0.0429","","","0.0969","0.106","","","","","","1.051","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507268","10.216","0.001","11.356","0.001","12.293","0.002","65.75","0.01","89.64","0.01","75.8","0.01","1253.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 Cl3 Cu2 N4 O17 -","- C14 H17 Cl3 Cu2 N4 O17 -","- C28 H34 Cl6 Cu4 N8 O34 -","2","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0644","0.0365","","","0.0847","0.0897","","","","","","0.908","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507269","25.841","0.009","8.544","0.003","20.482","0.009","90","","123.6","0.03","90","","3767","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl2 Cu N4 O9 -","- C14 H12 Cl2 Cu N4 O9 -","- C112 H96 Cl16 Cu8 N32 O72 -","8","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0754","0.0502","","","0.1365","0.1461","","","","","","0.976","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507270","12.1811","0.0003","15.6873","0.0003","17.9688","0.0004","90","","91.584","0.001","90","","3432.32","0.13","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cl2 Cu N4 O8 -","- C14 H10 Cl2 Cu N4 O8 -","- C112 H80 Cl16 Cu8 N32 O64 -","8","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0571","0.0446","","","0.1258","0.1362","","","","","","1.032","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507271","8.1979","0.0008","10.6608","0.0009","11.2985","0.0011","90.149","0.007","96.531","0.008","100.772","0.007","963.46","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cu2 N16 O -","- C14 H12 Cu2 N16 O -","- C28 H24 Cu4 N32 O2 -","2","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0785","0.0428","","","0.0839","0.0955","","","","","","1.024","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507272","9.9873","0.0004","20.0523","0.0008","11.4886","0.0004","90","","96.138","0.001","90","","2287.61","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Cu2 N13 O2 -","- C20 H13 Cu2 N13 O2 -","- C80 H52 Cu8 N52 O8 -","4","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0536","0.0364","","","0.0938","0.1029","","","","","","1.047","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507273","20.3871","0.0013","7.7263","0.0002","14.6064","0.0009","90","","128.494","0.01","90","","1800.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3,4 DAP phosphate","3,4 diaminopyridine dihydrogen phosphate","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C40 H80 N24 O32 P8 -","8","1","","Mahé Nathalie; Nicolaï Béatrice; Allouchi, Hassan; Barrio, Maria; Do, Bernard; Céolin, René; Tamarit, Josep-Lluis; Rietveld, Ivo B.","Crystal Structure and Solid-State Properties of 3,4-Diaminopyridine Dihydrogen Phosphate and Their Comparison with Other Diaminopyridine Salts","Crystal Growth & Design","2013","13","2","708","","10.1021/cg3014249","","","0.7107","MoKα","","0.0577","0.0367","","","0.0945","0.102","","","","","","0.964","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507274","29.2","0.002","11.9144","0.0009","14.0146","0.001","90","","92.054","0.007","90","","4872.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd N4 O7 -","- C18 H18 Cd N4 O7 -","- C144 H144 Cd8 N32 O56 -","8","1","","Bhattacharya, Biswajit; Dey, Rajdip; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Four 3D Cd(II)-Based Metal Organic Hybrids with Different N,N′-Donor Spacers: Syntheses, Characterizations, and Selective Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","731","","10.1021/cg3014464","","","0.71073","MoKα","","0.0842","0.0481","","","0.129","0.1523","","","","","","1.07","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507275","24.709","0.003","11.5985","0.0012","14.2484","0.0015","90","","103.464","0.007","90","","3971.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cd N4 O6 -","- C14 H16 Cd N4 O6 -","- C112 H128 Cd8 N32 O48 -","8","1","","Bhattacharya, Biswajit; Dey, Rajdip; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Four 3D Cd(II)-Based Metal Organic Hybrids with Different N,N′-Donor Spacers: Syntheses, Characterizations, and Selective Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","731","","10.1021/cg3014464","","","0.71073","MoKα","","0.0356","0.0319","","","0.1154","0.1184","","","","","","1.112","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507276","12.6099","0.0002","12.1229","0.0002","14.2819","0.0003","90","","98.41","0.001","90","","2159.78","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cd N4 O8 -","- C18 H22 Cd N4 O8 -","- C72 H88 Cd4 N16 O32 -","4","1","","Bhattacharya, Biswajit; Dey, Rajdip; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Four 3D Cd(II)-Based Metal Organic Hybrids with Different N,N′-Donor Spacers: Syntheses, Characterizations, and Selective Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","731","","10.1021/cg3014464","","","0.71073","MoKα","","0.0265","0.0243","","","0.0658","0.0671","","","","","","1.086","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507277","23.7901","0.0009","8.6694","0.0003","29.5375","0.0009","90","","113.205","0.003","90","","5599.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 Cd3 N8 O20 -","- C44 H48 Cd3 N8 O20 -","- C176 H192 Cd12 N32 O80 -","4","0.5","","Bhattacharya, Biswajit; Dey, Rajdip; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Four 3D Cd(II)-Based Metal Organic Hybrids with Different N,N′-Donor Spacers: Syntheses, Characterizations, and Selective Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","731","","10.1021/cg3014464","","","0.71073","MoKα","","0.0556","0.0531","","","0.1449","0.1462","","","","","","1.294","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507278","11.372","0.001","9.4405","0.0008","28.453","0.002","90","","90","","90","","3054.6","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C136 H120 N8 O24 S8 -","8","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.076","0.0671","","","0.1554","0.1606","","","","","","1.139","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507279","10.865","0.002","6.3351","0.0012","26.008","0.005","90","","100.004","0.003","90","","1762.9","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N O3 S -","- C20 H18 N O3 S -","- C80 H72 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.0822","0.0496","","","0.1196","0.132","","","","","","1.009","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507280","10.8561","0.001","6.3533","0.0006","26.403","0.003","90","","98.229","0.001","90","","1802.3","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H15 N O3 S -","- C20.5 H15 N O3 S -","- C82 H60 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.0705","0.0506","","","0.1367","0.1513","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507281","12.744","0.005","6.242","0.002","22.864","0.009","90","","93.911","0.005","90","","1814.6","1.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.0525","0.0395","","","0.1063","0.1133","","","","","","1.042","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507282","10.917","0.003","6.1745","0.0018","32.434","0.009","90","","96.594","0.004","90","","2171.8","1.1","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.085","0.0508","","","0.1292","0.1523","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507283","11.1932","0.0013","6.0493","0.0007","32.694","0.004","90","","98.736","0.001","90","","2188.1","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.0483","0.0362","","","0.0898","0.0962","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507284","12.076","0.003","6.3815","0.0016","32.01","0.008","90","","90","","90","","2466.8","1.1","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H32 N2 O2 -","- C32 H32 N2 O2 -","- C128 H128 N8 O8 -","4","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0372","0.0317","","","0.0726","0.076","","","","","","1.034","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507285","6.2857","0.0019","12.624","0.004","32.881","0.01","90","","90","","90","","2609.1","1.4","120","","120","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H36 N2 O2 -","- C34 H36 N2 O2 -","- C136 H144 N8 O8 -","4","0.5","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0468","0.0395","","","0.1023","0.1074","","","","","","1.041","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507286","9.893","0.012","7.77","0.009","35.39","0.04","90","","96.781","0.013","90","","2701","5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl2 N2 O2 -","- C32 H30 Cl2 N2 O2 -","- C128 H120 Cl8 N8 O8 -","4","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.1028","0.0703","","","0.2301","0.2833","","","","","","1.128","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507287","7.7044","0.0015","11.564","0.002","32.152","0.007","90","","96.56","0.002","90","","2845.8","1","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 N2 O2 -","- C34 H34 Cl2 N2 O2 -","- C136 H136 Cl8 N8 O8 -","4","0.5","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0444","0.039","","","0.1005","0.1042","","","","","","1.034","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507288","7.6272","0.0014","11.462","0.002","32.491","0.006","90","","96.602","0.002","90","","2821.6","0.9","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Cl2 N2 O2 -","- C34 H32 Cl2 N2 O2 -","- C136 H128 Cl8 N8 O8 -","4","0.5","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0413","0.0331","","","0.0843","0.0893","","","","","","1.048","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507289","19.233","0.002","7.286","0.001","21.471","0.002","90","","116.647","0.008","90","","2689.2","0.6","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Br2 N2 O2 -","- C32 H30 Br2 N2 O2 -","- C128 H120 Br8 N8 O8 -","4","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0477","0.0309","","","0.0695","0.0758","","","","","","1.008","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507290","9.6666","0.0014","10.5148","0.0015","16.003","0.002","79.171","0.002","82.682","0.002","73.44","0.002","1526.6","0.4","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H34 Br2 N2 O3 -","- C34 H34 Br2 N2 O3 -","- C68 H68 Br4 N4 O6 -","2","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0368","0.0303","","","0.0784","0.082","","","","","","1.037","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507291","33.81","0.013","11.423","0.004","7.647","0.003","90","","101.221","0.004","90","","2896.9","1.9","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H32 Br2 N2 O2 -","- C34 H32 Br2 N2 O2 -","- C136 H128 Br8 N8 O8 -","4","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0383","0.0355","","","0.0882","0.0898","","","","","","1.054","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507292","10.0704","0.0003","14.2521","0.0003","17.5644","0.0006","90","","94.281","0.002","90","","2513.89","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Ca2 N2 O10 S2 -","- C18 H18 Ca2 N2 O10 S2 -","- C72 H72 Ca8 N8 O40 S8 -","4","1","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Synthesis, Structures and Photoluminescence Properties of a Series of Alkaline Earth Metal-Based Coordination Networks Synthesized Using Thiophene-Based Linkers","Crystal Growth & Design","2013","13","1","326","","10.1021/cg301471r","","","0.71073","MoKα","","0.0569","0.0494","","","0.1441","0.1519","","","","","","1.07","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507293","5.3331","0.0005","6.8981","0.0004","18.1411","0.0016","90","","90","","90","","667.38","0.09","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C6 H2 Ca O4 S -","- C6 H2 Ca O4 S -","- C24 H8 Ca4 O16 S4 -","4","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Synthesis, Structures and Photoluminescence Properties of a Series of Alkaline Earth Metal-Based Coordination Networks Synthesized Using Thiophene-Based Linkers","Crystal Growth & Design","2013","13","1","326","","10.1021/cg301471r","","","0.71073","MoKα","","0.0367","0.0289","","","0.0715","0.0768","","","","","","1.063","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507294","5.9795","0.0003","17.0583","0.001","11.3592","0.0006","90","","91.257","0.001","90","","1158.36","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8.25 N O5 S Sr -","- C9 H8.182 N O5 S Sr -","- C36 H32.728 N4 O20 S4 Sr4 -","4","1","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Synthesis, Structures and Photoluminescence Properties of a Series of Alkaline Earth Metal-Based Coordination Networks Synthesized Using Thiophene-Based Linkers","Crystal Growth & Design","2013","13","1","326","","10.1021/cg301471r","","","0.41328","synchrotron","","0.0228","0.0183","","","0.055","0.0715","","","","","","1.244","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507295","8.609","0.0001","10.7972","0.0002","12.1225","0.0002","109.5","0.001","109.517","0.001","94.035","0.001","979.96","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 F4 N4 O6 -","- C46 H38 F4 N4 O6 -","- C46 H38 F4 N4 O6 -","1","0.5","","Yan, Dongpeng; Patel, Bhavnita; Delori, Amit; Jones, William; Duan, Xue","The Formation of Hydrogen-Bond Facilitated Salts with Tunable Optical Properties: An Experimental and Theoretical Study of 2,4,5-Triphenylimidazole","Crystal Growth & Design","2013","13","1","333","","10.1021/cg3014927","","","0.71073","MoKα","","0.0836","0.0481","","","0.103","0.1176","","","","","","1.031","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507296","8.1916","0.0001","23.5372","0.0005","12.5644","0.0003","90","","104.577","0.001","90","","2344.53","0.08","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 Br F4 N2 O2 -","- C28 H17 Br F4 N2 O2 -","- C112 H68 Br4 F16 N8 O8 -","4","1","","Yan, Dongpeng; Patel, Bhavnita; Delori, Amit; Jones, William; Duan, Xue","The Formation of Hydrogen-Bond Facilitated Salts with Tunable Optical Properties: An Experimental and Theoretical Study of 2,4,5-Triphenylimidazole","Crystal Growth & Design","2013","13","1","333","","10.1021/cg3014927","","","0.71073","MoKα","","0.068","0.0512","","","0.1049","0.1146","","","","","","1.022","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507297","11.1677","0.0005","9.9851","0.0005","6.3098","0.0003","90","","90","","90","","703.61","0.06","10","","10","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","neutron","2.537","Neutron","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507298","11.2854","0.0006","10.0394","0.0005","6.3627","0.0004","90","","90","","90","","720.89","0.07","150","","150","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","neutron","2.537","Neutron","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507299","11.5494","0.0009","10.1825","0.0007","6.4002","0.0005","90","","90","","90","","752.67","0.1","296","","296","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507300","17.9835","0.0021","10.3642","0.0011","6.3014","0.0008","90","","94.41","0.005","90","","1171","0.2","323","","323","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- C2 Cl6 -","- C2 Cl6 -","- C12 Cl36 -","6","0.75","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507301","6.305","0.004","10.177","0.012","8.714","0.007","90","","90","","90","","559.1","0.9","120","","120","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C2 Cl2 F4 -","- C2.02 Cl2.08 F4.04 -","- C8.08 Cl8.32 F16.16 -","4","","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","neutron","2.398","Neutron","","","","","","","","","","","","","","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507302","19.31","0.02","8.558","0.011","27.25","0.04","90","","108.28","0.03","90","","4276","9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 Mn N5 O8 -","- C34 H21 Mn N5 O8 -","- C136 H84 Mn4 N20 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.1086","0.0677","","","0.1289","0.1455","","","","","","1.001","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507303","19.282","0.009","8.542","0.004","27.116","0.013","90","","108.45","0.01","90","","4237","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 Fe N5 O8 -","- C34 H21 Fe N5 O8 -","- C136 H84 Fe4 N20 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.065","0.0445","","","0.1091","0.1198","","","","","","0.999","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507304","19.002","","8.39","","26.833","","90","","108.73","","90","","4051.35","","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 Co N5 O8 -","- C34 H21 Co N5 O8 -","- C136 H84 Co4 N20 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.1124","0.0673","","","0.094","0.1043","","","","","","0.895","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507305","19.392","0.009","8.516","0.004","27.144","0.012","90","","109.504","0.01","90","","4225","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 N5 O8 Zn -","- C34 H21 N5 O8 Zn -","- C136 H84 N20 O32 Zn4 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.0887","0.0655","","","0.1872","0.2255","","","","","","0.998","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507306","14.787","0.007","15.571","0.007","16.424","0.007","92.379","0.008","109.668","0.007","110.955","0.008","3269","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 Mn2 N10 O8 -","- C52 H32 Mn2 N10 O8 -","- C104 H64 Mn4 N20 O16 -","2","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.0931","0.0673","","","0.0747","0.0966","","","","","","1","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507307","11.36","0.003","11.799","0.004","16.35","0.005","74.017","0.006","82.914","0.006","63.634","0.006","1887.6","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H29 N2 O19 Zn3 -","- C40 H29 N2 O19 Zn3 -","- C80 H58 N4 O38 Zn6 -","2","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.1037","0.0673","","","0.1307","0.1523","","","","","","0.998","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507308","9.354","0.004","14.614","0.007","19.726","0.009","90","","94.889","0.008","90","","2687","2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cu N4 O5 -","- C28 H23 Cu N4 O5 -","- C112 H92 Cu4 N16 O20 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.1001","0.0682","","","0.152","0.1635","","","","","","1.001","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507309","37.92","0.03","7.642","0.005","23.501","0.015","90","","117.734","0.008","90","","6028","7","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H22 Co N4 O10 -","- C35 H22 Co N4 O10 -","- C280 H176 Co8 N32 O80 -","8","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.0812","0.0649","","","0.1848","0.2055","","","","","","1.004","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507310","19.308","0.004","14.196","0.003","20.379","0.004","90","","103.15","0.004","90","","5439.3","1.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H49 N10 Ni2 O12 -","- C61 H49 N10 Ni2 O12 -","- C244 H196 N40 Ni8 O48 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.0888","0.0553","","","0.1372","0.1574","","","","","","1.001","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507311","7.31853","0.00019","8.2536","0.0002","11.7148","0.0003","100.472","0.0012","90.2335","0.0017","90.9844","0.0017","695.72","0.03","298","","298","","","","","","","","","3","P -1","-P 1","2","gallic acid","3,4,5-trihydroxybenzoic acid","","- C7 H6 O5 -","- C7 H6 O5 -","- C28 H24 O20 -","4","2","","Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L.","Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.","Crystal growth & design","2013","13","1","19","23","10.1021/cg301506x","powder diffraction","","1.54056","CuKα","","","","","","","","","","5.227","","","","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507312","25.685","0.003","4.9273","0.0005","11.2508","0.0012","90","","106.234","0.002","90","","1367.1","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,4,5-trihydroxybenzoic acid","","- C7 H6 O5 -","- C7 H6 O5 -","- C56 H48 O40 -","8","1","","Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L.","Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.","Crystal growth & design","2013","13","1","19","23","10.1021/cg301506x","","","0.71073","MoKα","","0.0471","0.0356","","","0.0923","0.0953","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507313","5.2303","0.0001","5.26495","0.00012","24.7927","0.0004","90","","102.112","0.0017","90","","667.53","0.02","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","gallic acid","3,4,5-trihydroxybenzoic acid","","- C7 H6 O5 -","- C7 H6 O5 -","- C28 H24 O20 -","4","1","","Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L.","Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.","Crystal growth & design","2013","13","1","19","23","10.1021/cg301506x","powder diffraction","","1.54056","CuKα","","","","","","","","","","2.065","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507314","7.60719","0.00009","3.64133","0.00004","26.7915","0.0004","90","","98.4212","0.0011","90","","734.131","0.016","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","gallic acid","3,4,5-trihydroxybenzoic acid","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","","Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L.","Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.","Crystal growth & design","2013","13","1","19","23","10.1021/cg301506x","powder diffraction","","1.54056","CuKα","","","","","","","","","","4.298","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507315","13.057","0.004","14.628","0.004","8.306","0.002","90","","108.295","0.004","90","","1506.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O S -","- C16 H22 N2 O S -","- C64 H88 N8 O4 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0461","0.0357","","","0.089","0.0938","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507316","9.6555","0.0006","13.1733","0.0009","12.7112","0.0008","90","","110.132","0.001","90","","1518.02","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O S -","- C16 H20 N2 O S -","- C64 H80 N8 O4 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0434","0.0365","","","0.0976","0.1016","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507317","13","0.003","15.17","0.003","7.7773","0.0016","90","","104.832","0.003","90","","1482.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br N2 S -","- C15 H19 Br N2 S -","- C60 H76 Br4 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0398","0.028","","","0.0664","0.0692","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507318","12.855","0.006","14.961","0.007","7.931","0.004","90","","103.716","0.008","90","","1481.8","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 S -","- C16 H22 N2 S -","- C64 H88 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0717","0.0509","","","0.1397","0.1517","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507319","19.395","0.003","6.1309","0.001","27.533","0.004","90","","90","","90","","3273.9","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H24 N2 S -","- C17 H24 N2 S -","- C136 H192 N16 S8 -","8","2","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0721","0.0464","","","0.1222","0.1357","","","","","","1.03","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507320","12.7995","0.0007","15.1263","0.0009","7.9069","0.0005","90","","104.423","0.001","90","","1482.6","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl N2 S -","- C15 H19 Cl N2 S -","- C60 H76 Cl4 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.045","0.0365","","","0.0943","0.0988","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507321","13.064","0.003","9.3997","0.0019","13.724","0.003","90","","113.821","0.003","90","","1541.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl N2 S -","- C16 H21 Cl N2 S -","- C64 H84 Cl4 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0483","0.0356","","","0.0846","0.0891","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507322","10.611","0.005","7.779","0.003","19.234","0.008","90","","101.253","0.006","90","","1557.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O S -","- C17 H22 N2 O S -","- C68 H88 N8 O4 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0721","0.0534","","","0.1366","0.1457","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507323","6.235","0.003","19.286","0.008","11.982","0.005","90","","96.517","0.007","90","","1431.5","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 S -","- C15 H20 N2 S -","- C60 H80 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0919","0.0609","","","0.165","0.1813","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507324","7.787","0.003","13.595","0.005","15.382","0.005","106.408","0.006","90.357","0.006","93.635","0.006","1558.4","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 F3 N2 S -","- C16 H19 F3 N2 S -","- C64 H76 F12 N8 S4 -","4","2","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0901","0.0574","","","0.1369","0.1486","","","","","","1.019","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507325","9.4109","0.0002","18.8592","0.0003","20.2575","0.0004","90","","90","","90","","3595.34","0.12","20","1","20","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 I4.14 N2 S9.72 -","- C28 H20 I4.1374 N2 S9.7168 -","- C112 H80 I16.5496 N8 S38.8672 -","4","0.5","","Sugimoto, Kunihisa; Uemachi, Hiroshi; Maekawa, Masahiko; Fujiwara, Akihiko","Air-Stable Cyclohexasulfur as Cocrystal","Crystal Growth & Design","2013","13","2","433","","10.1021/cg301526f","","","0.35685","synchrotron","","0.0504","0.0317","","","0.0589","0.0631","","","","","","1.032","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507326","9.58","0.0003","18.999","0.0006","19.0798","0.0006","90","","90","","90","","3472.72","0.19","20","1","20","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 I3 N S2 -","- C14 H10 I3 N S2 -","- C112 H80 I24 N8 S16 -","8","1","","Sugimoto, Kunihisa; Uemachi, Hiroshi; Maekawa, Masahiko; Fujiwara, Akihiko","Air-Stable Cyclohexasulfur as Cocrystal","Crystal Growth & Design","2013","13","2","433","","10.1021/cg301526f","","","0.35685","synchrotron","","0.0376","0.0305","","","0.0739","0.077","","","","","","1.084","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507327","8.5388","0.0005","20.0776","0.0014","20.86","0.0008","73.33","0.005","88.861","0.004","79.034","0.005","3361.1","0.3","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38 Cl2 N8 O4 -","- C35 H38 Cl2 N8 O4 -","- C140 H152 Cl8 N32 O16 -","4","2","","Nonappa,; Lahtinen, Manu; Kolehmainen, Erkki; Haarala, Jorma; Shevchenko, Anna","Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal","Crystal Growth & Design","2013","13","1","346","","10.1021/cg3015282","","","1.5418","CuKα","","0.0877","0.0665","","","0.1722","0.1913","","","","","","1.021","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507328","8.6126","0.0005","20.1032","0.0013","21.1211","0.0015","73.297","0.006","89.003","0.005","79.571","0.005","3442.4","0.4","273","0.1","273","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38 Cl2 N8 O4 -","- C35 H38 Cl2 N8 O4 -","- C140 H152 Cl8 N32 O16 -","4","2","","Nonappa,; Lahtinen, Manu; Kolehmainen, Erkki; Haarala, Jorma; Shevchenko, Anna","Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal","Crystal Growth & Design","2013","13","1","346","","10.1021/cg3015282","","","1.5418","CuKα","","0.093","0.0648","","","0.1668","0.1896","","","","","","1.011","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507329","30.181","0.003","5.714","0.0006","21.6818","0.0018","90","","105.111","0.01","90","","3609.8","0.6","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl2 N8 O6 -","- C37 H41 Cl2 N8 O6 -","- C148 H164 Cl8 N32 O24 -","4","1","","Nonappa,; Lahtinen, Manu; Kolehmainen, Erkki; Haarala, Jorma; Shevchenko, Anna","Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal","Crystal Growth & Design","2013","13","1","346","","10.1021/cg3015282","","","1.5418","CuKα","","0.0752","0.0612","","","0.1491","0.1611","","","","","","1.02","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507330","30.2048","0.001","5.7706","0.0002","21.9711","0.001","90","","104.37","0.004","90","","3709.7","0.3","273","1","273","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl2 N8 O6 -","- C37 H41 Cl2 N8 O6 -","- C148 H164 Cl8 N32 O24 -","4","1","","Nonappa,; Lahtinen, Manu; Kolehmainen, Erkki; Haarala, Jorma; Shevchenko, Anna","Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal","Crystal Growth & Design","2013","13","1","346","","10.1021/cg3015282","","","1.5418","CuKα","","0.0964","0.0579","","","0.1445","0.1815","","","","","","1.017","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507331","5.418","0.003","8.764","0.005","23.315","0.013","90","","91.321","0.011","90","","1106.8","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C48 H44 N8 O12 -","2","0.5","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.1196","0.0967","","","0.1971","0.21","","","","","","1.248","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507332","8.191","0.003","10.755","0.003","11.897","0.004","74","0.006","84.991","0.006","76.519","0.006","979.4","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H38 N8 O6 -","- C44 H38 N8 O6 -","- C44 H38 N8 O6 -","1","0.5","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.1262","0.1021","","","0.2043","0.2167","","","","","","1.232","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507333","13.3978","0.0019","12.5471","0.0017","13.8797","0.0019","90","","90","","90","","2333.2","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C96 H104 N24 O24 -","8","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0714","0.0638","","","0.128","0.1315","","","","","","1.256","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507334","12.951","0.004","5.1138","0.0015","17.068","0.005","90","","90","","90","","1130.4","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0788","0.072","","","0.1507","0.1531","","","","","","1.291","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507335","7.949","0.003","11.747","0.004","12.875","0.005","90","","103.417","0.006","90","","1169.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N4 O6 -","- C26 H26 N4 O6 -","- C52 H52 N8 O12 -","2","0.5","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0869","0.0572","","","0.1567","0.1719","","","","","","1.043","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507336","11.196","0.003","8.041","0.002","19.179","0.006","90","","96.644","0.006","90","","1715","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C76 H76 N12 O12 -","4","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.131","0.0848","","","0.1865","0.2105","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507337","6.2977","0.001","9.1148","0.0015","15.243","0.003","72.801","0.003","84.1","0.003","77.889","0.003","816.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C38 H34 N6 O6 -","2","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0416","0.0363","","","0.0976","0.1016","","","","","","1.047","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507338","20.019","0.003","20.019","0.003","18.861","0.004","90","","90","","90","","7559","2","293","2","293","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C48 H62 Cl0 Mn22 N60 Na0 O79 -","- C48 H54 Mn22 N60 O79 -","- C96 H108 Mn44 N120 O158 -","2","0.25","","Zhao, Jiong-Peng; Zhao, Ran; Song, Wei-Chao; Yang, Qian; Liu, Fu-Chen; Bu, Xian-He","Azido-Directed Formation of An Unprecedented Mn(II)-Organic Framework with Nanoscale Cubic Cage Units","Crystal Growth & Design","2013","13","2","437","","10.1021/cg3015354","","","0.71073","MoKα","","0.0893","0.0759","","","0.1683","0.1748","","","","","","1.138","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507339","9.934","0.007","12.513","0.008","8.645","0.006","90","","90","","90","","1074.6","1.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H10 Co N O5 P -","- C9 H10 Co N O5 P -","- C36 H40 Co4 N4 O20 P4 -","4","1","","Zhou, Tian-Hua; He, Zhang-Zhen; Xu, Xiang; Qian, Xiang-Ying; Mao, Jiang-Gao","Ligand Geometry Directed Polar Cobalt(II) Phosphonate Displaying Weak Ferromagnetism","Crystal Growth & Design","2013","13","2","838","","10.1021/cg301542n","","","0.71073","MoKα","","0.0351","0.0334","","","0.0814","0.0828","","","","","","1.056","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507340","9.927","0.003","12.485","0.003","8.629","0.002","90","","90","","90","","1069.5","0.5","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H10 N O5 P Zn -","- C9 H10 N O5 P Zn -","- C36 H40 N4 O20 P4 Zn4 -","4","1","","Zhou, Tian-Hua; He, Zhang-Zhen; Xu, Xiang; Qian, Xiang-Ying; Mao, Jiang-Gao","Ligand Geometry Directed Polar Cobalt(II) Phosphonate Displaying Weak Ferromagnetism","Crystal Growth & Design","2013","13","2","838","","10.1021/cg301542n","","","0.71073","MoKα","","0.0205","0.0196","","","0.0427","0.043","","","","","","0.955","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507341","13.1738","0.0008","24.5677","0.0011","13.2235","0.0007","90","","100.718","0.003","90","","4205.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H44 Er2 F24 N6 O17 Yb2 -","- C74 H40 Er2 F24 N6 O18 Yb2 -","- C148 H80 Er4 F48 N12 O36 Yb4 -","2","0.5","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.0421","0.0379","","","0.102","0.107","","","","","","1.059","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507342","12.969","0.004","24.709","0.003","13.227","0.003","90","","101.432","0.01","90","","4154.5","1.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H44 Er2 F24 N6 O17 Yb2 -","- C74 H40 Er2 F24 N6 O18 Yb2 -","- C148 H80 Er4 F48 N12 O36 Yb4 -","2","0.5","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.0751","0.0562","","","0.1514","0.1924","","","","","","1.072","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507343","24.8037","0.0006","24.8037","0.0006","42.7922","0.0019","90","","90","","120","","22799.7","1.3","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C123 H135 Cl0 Eu F36 N9 O33 Tb3 -","- C87 H45 Eu F36 N9 O30 Tb3 -","- C522 H270 Eu6 F216 N54 O180 Tb18 -","6","0.333333","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.066","0.0598","","","0.1717","0.1815","","","","","","1.089","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507344","24.8541","0.0007","24.8541","0.0007","42.446","0.004","90","","90","","120","","22707","2","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C105 H87 Cl0 Eu3 F36 N9 O30 Tb -","- C87 H45 Eu3 F36 N9 O30 Tb -","- C522 H270 Eu18 F216 N54 O180 Tb6 -","6","0.333333","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.0607","0.0515","","","0.1382","0.1485","","","","","","1.061","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507345","9.5973","0.0006","11.94","0.0006","12.7279","0.0006","99.038","0.004","95.006","0.004","90.24","0.004","1434.67","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","LTG-AceticAcid","","","- C11 H11 Cl2 N5 O2 -","- C11 H11 Cl2 N5 O2 -","- C44 H44 Cl8 N20 O8 -","4","2","","Chadha, Renu; Saini, Anupam; Khullar, Sadhika; Jain, Dharamvir Singh; Mandal, Sanjay K.; Guru Row, T. N.","Crystal Structures and Physicochemical Properties of Four New Lamotrigine Multicomponent Forms","Crystal Growth & Design","2013","13","2","858","","10.1021/cg301556j","","","0.71073","MoKα","","0.1223","0.0555","","","0.1393","0.1774","","","","","","0.976","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507346","18.6293","0.0004","18.6293","0.0004","17.6086","0.0005","90","","90","","90","","6111.1","0.3","120","2","120","2","","","","","","","see text","5","I 41/a :2","-I 4ad","88","","","","- C12 H13 Cl2 N5 O2 -","- C12 H13 Cl2 N5 O2 -","- C192 H208 Cl32 N80 O32 -","16","1","","Chadha, Renu; Saini, Anupam; Khullar, Sadhika; Jain, Dharamvir Singh; Mandal, Sanjay K.; Guru Row, T. N.","Crystal Structures and Physicochemical Properties of Four New Lamotrigine Multicomponent Forms","Crystal Growth & Design","2013","13","2","858","","10.1021/cg301556j","","x-ray","0.71073","MoKα","","0.0786","0.0508","","","0.1374","0.1521","","","","","","1.173","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507347","9.308","0.002","11.356","0.003","32.107","0.008","90","","96.093","0.004","90","","3374.6","1.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LTG-SorbicAcid","","","- C30 H30 Cl4 N10 O4 -","- C30 H30 Cl4 N10 O4 -","- C120 H120 Cl16 N40 O16 -","4","1","","Chadha, Renu; Saini, Anupam; Khullar, Sadhika; Jain, Dharamvir Singh; Mandal, Sanjay K.; Guru Row, T. N.","Crystal Structures and Physicochemical Properties of Four New Lamotrigine Multicomponent Forms","Crystal Growth & Design","2013","13","2","858","","10.1021/cg301556j","","","0.71073","MoKα","","0.1324","0.0683","","","0.1626","0.1987","","","","","","1.044","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507348","8.862","0.0006","16.8932","0.0011","22.8226","0.0012","90","","90.17","0.011","90","","3416.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LTG-GlutaricAcid","","","- C27 H34 Cl4 N10 O6 -","- C27 H32 Cl4 N10 O6 -","- C108 H128 Cl16 N40 O24 -","4","1","","Chadha, Renu; Saini, Anupam; Khullar, Sadhika; Jain, Dharamvir Singh; Mandal, Sanjay K.; Guru Row, T. N.","Crystal Structures and Physicochemical Properties of Four New Lamotrigine Multicomponent Forms","Crystal Growth & Design","2013","13","2","858","","10.1021/cg301556j","","","0.71073","MoKα","","0.1213","0.0695","","","0.1844","0.2042","","","","","","0.918","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507349","15.4496","0.0009","6.9102","0.0004","12.9227","0.0007","90","","102.908","0.006","90","","1344.76","0.14","291","2","291.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Br Ca N2 O6 -","- C11 H9 Br Ca N2 O6 -","- C44 H36 Br4 Ca4 N8 O24 -","4","1","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.7107","MoKα","","0.0622","0.0431","","","0.0898","0.1008","","","","","","1.025","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507350","14.8833","0.0017","6.6486","0.0008","12.8054","0.0015","90","","103.052","0.001","90","","1234.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Br N2 O5 Sr -","- C11 H7 Br N2 O5 Sr -","- C44 H28 Br4 N8 O20 Sr4 -","4","1","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.0454","0.0319","","","0.08","0.0873","","","","","","0.876","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507351","12.8977","0.0007","8.1974","0.0003","11.2059","0.0004","90","","90","","90","","1184.77","0.09","291","2","291","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C11 H6 Br N2 O5 Zn -","- C11 H6 Br N2 O5 Zn -","- C44 H24 Br4 N8 O20 Zn4 -","4","0.5","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.0328","0.0297","","","0.0787","0.084","","","","","","0.626","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507352","9.8824","0.0015","13.76","0.002","9.9776","0.0014","90","","113.223","0.002","90","","1246.8","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br2 Co N4 O10 S0 -","- C22 H16 Br2 Co N4 O10 -","- C44 H32 Br4 Co2 N8 O20 -","2","0.5","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.034","0.0285","","","0.0736","0.0759","","","","","","1.102","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507353","8.7083","0.0007","10.166","0.0007","14.8129","0.0011","74.995","0.001","89.915","0.001","72.97","0.001","1207.18","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 Br2 Cd1.5 N4 O9 -","- C22 H13 Br2 Cd1.5 N4 O9 -","- C44 H26 Br4 Cd3 N8 O18 -","2","1","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.0343","0.0295","","","0.0729","0.0747","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507354","21.9976","0.0006","21.9976","0.0006","16.5598","0.0009","90","","90","","90","","8013.2","0.5","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H16 Br2 Cd2 N6 O12 -","- C32 H16 Br2 Cd2 N6 O12 -","- C256 H128 Br16 Cd16 N48 O96 -","8","0.5","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.047","0.0338","","","0.0911","0.094","","","","","","1.034","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507355","19.266","0.014","8.553","0.006","27.325","0.019","90","","108.189","0.016","90","","4278","5","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 Cd N5 O8 -","- C34 H21 Cd N5 O8 -","- C136 H84 Cd4 N20 O32 -","4","1","","Sun, Di; Han, Lu-Lu; Yuan, Shuai; Deng, Yong-Kai; Xu, Meng-Zhen; Sun, Dao-Feng","Four New Cd(II) Coordination Polymers with Mixed Multidentate N-Donors and Biphenyl-Based Polycarboxylate Ligands: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","377","","10.1021/cg301573c","","","0.71073","MoKα","","0.0688","0.0491","","","0.1103","0.1177","","","","","","0.97","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507356","9.814","0.003","10.86","0.003","12.606","0.004","105.473","0.003","102.426","0.003","91.537","0.003","1259.4","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N5 O6 -","- C26 H20 Cd N5 O6 -","- C52 H40 Cd2 N10 O12 -","2","1","","Sun, Di; Han, Lu-Lu; Yuan, Shuai; Deng, Yong-Kai; Xu, Meng-Zhen; Sun, Dao-Feng","Four New Cd(II) Coordination Polymers with Mixed Multidentate N-Donors and Biphenyl-Based Polycarboxylate Ligands: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","377","","10.1021/cg301573c","","","0.71073","MoKα","","0.0364","0.0302","","","0.0628","0.0645","","","","","","1.018","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507357","16.328","0.004","6.9755","0.0017","27.246","0.006","90","","101.76","0.004","90","","3038.1","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cd2 N6 O8 -","- C32 H22 Cd2 N6 O8 -","- C128 H88 Cd8 N24 O32 -","4","1","","Sun, Di; Han, Lu-Lu; Yuan, Shuai; Deng, Yong-Kai; Xu, Meng-Zhen; Sun, Dao-Feng","Four New Cd(II) Coordination Polymers with Mixed Multidentate N-Donors and Biphenyl-Based Polycarboxylate Ligands: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","377","","10.1021/cg301573c","","","0.71073","MoKα","","0.0591","0.0382","","","0.0732","0.0809","","","","","","1.02","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507358","10.4459","0.0008","12.1007","0.001","12.5575","0.001","111.294","0.001","112.198","0.001","99.455","0.001","1282.99","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H20 Cd N6 O4 -","- C31 H20 Cd N6 O4 -","- C62 H40 Cd2 N12 O8 -","2","1","","Sun, Di; Han, Lu-Lu; Yuan, Shuai; Deng, Yong-Kai; Xu, Meng-Zhen; Sun, Dao-Feng","Four New Cd(II) Coordination Polymers with Mixed Multidentate N-Donors and Biphenyl-Based Polycarboxylate Ligands: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","377","","10.1021/cg301573c","","","0.71073","MoKα","","0.0618","0.0563","","","0.1751","0.1847","","","","","","1.144","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507359","22.683","0.0007","21.3607","0.0005","17.894","0.0008","90","","105.138","0.003","90","","8369.2","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H100 N22 O21 -","- C71 H100 N22 O21 -","- C284 H400 N88 O84 -","4","0.5","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Positional Isomeric Effect in Nitrophenyl Functionalized Tripodal Urea Receptors toward Binding and Encapsulation of Anions","Crystal Growth & Design","2013","13","2","883","","10.1021/cg3015749","","","0.71073","MoKα","","0.1107","0.0624","","","0.1779","0.2082","","","","","","1.194","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507360","12.8426","0.0011","14.3533","0.0012","14.6146","0.0012","90.561","0.004","103.049","0.007","95.773","0.002","2609.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H68 N11 O11 -","- C47 H68 N11 O11 -","- C94 H136 N22 O22 -","2","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Positional Isomeric Effect in Nitrophenyl Functionalized Tripodal Urea Receptors toward Binding and Encapsulation of Anions","Crystal Growth & Design","2013","13","2","883","","10.1021/cg3015749","","","0.71073","MoKα","","0.1177","0.0549","","","0.1367","0.1546","","","","","","0.99","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507361","17.0817","0.0009","17.6519","0.0009","19.7271","0.001","70.11","0.002","80.692","0.002","65.396","0.002","5084.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H132 N22 O22 P -","- C86 H132 N22 O22 P -","- C172 H264 N44 O44 P2 -","2","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Positional Isomeric Effect in Nitrophenyl Functionalized Tripodal Urea Receptors toward Binding and Encapsulation of Anions","Crystal Growth & Design","2013","13","2","883","","10.1021/cg3015749","","","0.71073","MoKα","","0.2423","0.0742","","","0.1678","0.2348","","","","","","0.953","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507362","10.9","0.0003","20.4538","0.0004","24.2322","0.0005","110.061","0.001","94.7009","0.0013","98.6721","0.0012","4964.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C87 H144 N13 O19 -","- C87 H144 N13 O19 -","- C174 H288 N26 O38 -","2","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Positional Isomeric Effect in Nitrophenyl Functionalized Tripodal Urea Receptors toward Binding and Encapsulation of Anions","Crystal Growth & Design","2013","13","2","883","","10.1021/cg3015749","","","0.71073","MoKα","","0.1079","0.084","","","0.1766","0.2143","","","","","","1.012","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507363","21.2737","0.0014","21.2737","0.0014","30.086","0.002","90","","90","","90","","13616","1.6","","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C56 H44 Cu3 N6 O16 -","- C56 H44 Cu3 N6 O16 -","- C224 H176 Cu12 N24 O64 -","4","0.5","","Yun, Ruirui; Duan, Jingui; Bai, Junfeng; Li, Yizhi","Fusing High Symmetric Coordination Polyhedrons of Cu6(PIP)4, Cu12(PIP)8, and Cu12(PIP)24into an Unprecedented Porous MOF: Synthesis, Structure, and Its Remarkable CO2Selectivity","Crystal Growth & Design","2013","13","1","24","","10.1021/cg301577a","","","","","","0.136","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507364","15.8964","0.0006","15.8964","0.0006","17.0316","0.0012","90","","90","","90","","4303.8","0.4","273","2","273","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H15 Co N3 O6 -","- C26 H15 Co N3 O6 -","- C208 H120 Co8 N24 O48 -","8","1","","Yang, Qingxiang; Huang, Liangfang; Zhang, Mingdao; Li, Yizhi,; Zheng, Hegen; Lu, Qingyi","An Unprecedented Homochiral Metal‒Organic Framework Based on Achiral Nanosized Pyridine and V-Shaped Polycarboxylate Acid Ligand","Crystal Growth & Design","2013","13","2","440","","10.1021/cg301600x","","","0.71073","MoKα","","0.0496","0.0399","","","0.0807","0.0824","","","","","","1.009","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507365","14.2986","0.0005","13.6054","0.0005","9.8965","0.0002","90","","123.152","0.0016","90","","1611.86","0.09","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H21 N2 O5 -","- C15 H21 N2 O5 -","- C60 H84 N8 O20 -","4","1","","Seber, Gonca; Freitas, Rafael S.; Oliveira, Nei Fernandes; Lahti, Paul M.","Crystal Packing and Magnetism in Phenolic Nitronylnitroxides: 2-(3′,5′-Dimethoxy-4′-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl","Crystal Growth & Design","2013","13","2","893","","10.1021/cg301601c","","","0.71073","MoKα","","0.0368","0.0347","","","0.0916","0.0937","","","","","","1.058","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507366","10.3251","0.0003","15.459","0.0004","17.7519","0.0005","69.964","0.002","86.592","0.002","78.556","0.002","2608.96","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H79 N5 O15 -","- C41 H79 N5 O15 -","- C82 H158 N10 O30 -","2","1","","Yan, Yuncheng; Hughes, Colan E.; Kariuki, Benson M.; Harris, Kenneth D. M.","A Rare Case of Polymorphism in a Three-Component Co-Crystal System, with Each Polymorph Having Ten Independent Molecules in the Asymmetric Unit","Crystal Growth & Design","2013","13","1","27","","10.1021/cg3016035","","","0.71073","MoKα","","0.0639","0.0488","","","0.1144","0.1229","","","","","","1.045","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507367","10.2893","0.0002","15.5312","0.0002","17.6113","0.0003","92.396","0.001","106.233","0.001","100.984","0.001","2639.14","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H79 N5 O15 -","- C41 H79 N5 O15 -","- C82 H158 N10 O30 -","2","1","","Yan, Yuncheng; Hughes, Colan E.; Kariuki, Benson M.; Harris, Kenneth D. M.","A Rare Case of Polymorphism in a Three-Component Co-Crystal System, with Each Polymorph Having Ten Independent Molecules in the Asymmetric Unit","Crystal Growth & Design","2013","13","1","27","","10.1021/cg3016035","","","0.71073","MoKα","","0.074","0.0539","","","0.1293","0.1425","","","","","","1.016","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507368","9.6731","0.0008","5.3414","0.0005","15.4107","0.001","90","","121.766","0.004","90","","676.97","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu N4 O6 V2 -","- C8 H12 Cu N4 O6 V2 -","- C16 H24 Cu2 N8 O12 V4 -","2","0.5","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Liu, Hui-Ru","Structure-Directing Self-Assembly, Structures and Characterization of Four d0-Transition Metal Oxide/Fluoride Compounds Constructed with Imidazole/1-Methylimidazole/1-Vinylimidazole and Copper(II)/Zinc(II)","Crystal Growth & Design","2013","13","2","446","","10.1021/cg301612g","","","0.71073","MoKα","","0.03","0.0263","","","0.0753","0.0769","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507369","11.4692","0.0002","11.9788","0.0002","18.2487","0.0003","90","","123.049","0.001","90","","2101.49","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 F4 Mo N6 O2 Zn -","- C15 H18 F4 Mo N6 O2 Zn -","- C60 H72 F16 Mo4 N24 O8 Zn4 -","4","1","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Liu, Hui-Ru","Structure-Directing Self-Assembly, Structures and Characterization of Four d0-Transition Metal Oxide/Fluoride Compounds Constructed with Imidazole/1-Methylimidazole/1-Vinylimidazole and Copper(II)/Zinc(II)","Crystal Growth & Design","2013","13","2","446","","10.1021/cg301612g","","","0.71073","MoKα","","0.0546","0.0317","","","0.066","0.0738","","","","","","1.023","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507370","12.3189","0.0001","12.3189","0.0001","8.2962","0.0001","90","","90","","90","","1258.99","0.02","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C20 H24 Cu F6 N8 Ti -","- C20 H24 Cu F6 N8 Ti -","- C40 H48 Cu2 F12 N16 Ti2 -","2","0.25","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Liu, Hui-Ru","Structure-Directing Self-Assembly, Structures and Characterization of Four d0-Transition Metal Oxide/Fluoride Compounds Constructed with Imidazole/1-Methylimidazole/1-Vinylimidazole and Copper(II)/Zinc(II)","Crystal Growth & Design","2013","13","2","446","","10.1021/cg301612g","","","0.71073","MoKα","","0.0504","0.0353","","","0.1122","0.1235","","","","","","1.075","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507371","10.1096","0.0005","10.1096","0.0005","15.8515","0.0016","90","","90","","90","","1620.1","0.2","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C18 H26 Cu F12 N12 Ti2 -","- C18.24 H26.4 Cu F12 N12.16 Ti2 -","- C36.48 H52.8 Cu2 F24 N24.32 Ti4 -","2","0.0625","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Liu, Hui-Ru","Structure-Directing Self-Assembly, Structures and Characterization of Four d0-Transition Metal Oxide/Fluoride Compounds Constructed with Imidazole/1-Methylimidazole/1-Vinylimidazole and Copper(II)/Zinc(II)","Crystal Growth & Design","2013","13","2","446","","10.1021/cg301612g","","","0.71073","MoKα","","0.0484","0.0434","","","0.1269","0.1334","","","","","","1.147","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507372","8.1754","0.0016","9.3313","0.0019","13.893","0.003","78.35","0.03","83.15","0.03","76.44","0.03","1006.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Cu Mo4 N8 O13 -","- C40 H28 Cu Mo4 N8 O13 -","- C40 H28 Cu Mo4 N8 O13 -","1","0.5","","Chen, Yong-Qiang; Li, Guo-Rong; Qu, Yang-Kun; Zhang, Ying-Hui; He, Kun-Huan; Gao, Qiang; Bu, Xian-He","Water-Insoluble Heterometal-Oxide-Based Photocatalysts Effective for the Photo-Decomposition of Methyl Orange","Crystal Growth & Design","2013","13","2","901","","10.1021/cg3016244","","","0.71073","MoKα","","0.0659","0.0468","","","0.0964","0.1022","","","","","","1.067","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507373","8.1234","0.0016","8.9511","0.0018","14.02","0.003","79.16","0.03","84.09","0.03","78.23","0.03","978","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Mo4 N8 Ni O13 -","- C40 H28 Mo4 N8 Ni O13 -","- C40 H28 Mo4 N8 Ni O13 -","1","0.5","","Chen, Yong-Qiang; Li, Guo-Rong; Qu, Yang-Kun; Zhang, Ying-Hui; He, Kun-Huan; Gao, Qiang; Bu, Xian-He","Water-Insoluble Heterometal-Oxide-Based Photocatalysts Effective for the Photo-Decomposition of Methyl Orange","Crystal Growth & Design","2013","13","2","901","","10.1021/cg3016244","","","0.71073","MoKα","","0.1596","0.1131","","","0.2664","0.2963","","","","","","1.07","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507374","18.172","0.005","52.375","0.01","5.698","0.005","90","","90","","90","","5423","5","293","2","293","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C240 H240 N16 O32 S16 -","16","1","","Mahieux, Julien; Sanselme, Morgane; Coquerel, Gerard","Access to Single Crystals of (±)-Form IV of Modafinil by Crystallization in Gels. Comparisons between (±)-Forms I, III, and IV and (−)-Form I","Crystal Growth & Design","2013","13","2","908","","10.1021/cg301630d","","x-ray","0.71073","MoKα","","0.0413","0.0388","","","0.0969","0.0988","","","","","","1.048","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507375","24.3687","0.0014","24.3687","0.0014","47.322","0.006","90","","90","","90","","28101","4","293","2","293","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H184 Ag8 Cl La N12 Ni6 O61 S12 -","- C62 H87 Ag8 Cl La N12 Ni6 O30 S12 -","- C496 H696 Ag64 Cl8 La8 N96 Ni48 O240 S96 -","8","1","","Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization","Crystal Growth & Design","2013","13","2","918","","10.1021/cg301649p","","","0.71073","MoKα","","0.0631","0.0468","","","0.1024","0.1084","","","","","","0.981","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507376","10.1695","0.0009","10.1695","0.0009","41.686","0.007","90","","90","","120","","3733.5","0.8","293","2","293","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C30 H64 Ag3 Co2 La N6 O17 S6 -","- C30 H54 Ag3 Co2 La N6 O17 S6 -","- C90 H162 Ag9 Co6 La3 N18 O51 S18 -","3","0.5","","Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization","Crystal Growth & Design","2013","13","2","918","","10.1021/cg301649p","","","0.71073","MoKα","","0.0714","0.0477","","","0.101","0.1107","","","","","","1.039","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507377","10.1532","0.0008","10.1532","0.0008","41.538","0.006","90","","90","","120","","3708.4","0.7","296","2","296","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C30 H66 Ag3 Co2 Eu N6 O16 S6 -","- C30 H54 Ag3 Co2 Eu N6 O17 S6 -","- C90 H162 Ag9 Co6 Eu3 N18 O51 S18 -","3","0.5","","Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization","Crystal Growth & Design","2013","13","2","918","","10.1021/cg301649p","","","0.71073","MoKα","","0.0949","0.0588","","","0.139","0.1595","","","","","","1.039","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507378","16.239","0.005","9.884","0.004","7.574","0.003","90","","100.516","0.005","90","","1195.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N7-(carboxymethylguanine)+K","","","- C7 H12 K N5 O6 -","- C7 H12 K N5 O6 -","- C28 H48 K4 N20 O24 -","4","1","","Nagapradeep, N.; Sharma, Suneeta; Verma, Sandeep","Ion Channel-like Crystallographic Signatures in Modified Guanine‒Potassium/Sodium Interactions","Crystal Growth & Design","2013","13","2","455","","10.1021/cg3016518","","","0.71069","MoKα","","0.0796","0.0539","","","0.1347","0.2098","","","","","","1.208","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507379","17.936","0.007","9.59","0.003","14.73","0.005","90","","104.7","0.011","90","","2450.7","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N9-(carboxymethylguanine)+K","","","- C14 H30 K N10 O15 -","- C14 H30 K N10 O15 -","- C56 H120 K4 N40 O60 -","4","0.5","","Nagapradeep, N.; Sharma, Suneeta; Verma, Sandeep","Ion Channel-like Crystallographic Signatures in Modified Guanine‒Potassium/Sodium Interactions","Crystal Growth & Design","2013","13","2","455","","10.1021/cg3016518","","","0.71073","MoKα","","0.0646","0.0476","","","0.1155","0.1306","","","","","","1.07","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507380","15.9397","0.0006","9.6503","0.0004","26.8957","0.0012","90","","90","","90","","4137.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N3 O3 -","- C25 H20 N3 O3 -","- C200 H160 N24 O24 -","8","1","","Fernández-Mato, Antonio; García, Marcos D.; Peinador, Carlos; Quintela, José M.; Sánchez-Andújar, Manuel; Pato-Doldán, Breogán; Señarís-Rodríguez, M. Antonia; Tordera, Daniel; Bolink, Henk J.","Polymorphism-Triggered Reversible Thermochromic Fluorescence of a Simple 1,8-Naphthyridine","Crystal Growth & Design","2013","13","2","460","","10.1021/cg301656x","","","0.71073","MoKα","","0.0922","0.0504","","","0.1261","0.1664","","","","","","1.089","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507381","10.362","0.0007","8.444","0.0003","22.277","0.0014","90","","117.355","0.002","90","","1731.2","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C88 H80 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1008","0.0699","","","0.2034","0.2275","","","","","","1.114","","","","has coordinates","176663","2020-10-21","18:00:00",""
"4507382","10.357","0.002","8.934","0.002","20.857","0.004","90","","114.571","0.004","90","","1755.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H39.976 N2 O4 -","- C88 H79.952 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1259","0.076","","","0.2208","0.2506","","","","","","0.991","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507383","10.33","0.001","9.063","0.001","20.302","0.002","90","","113.699","0.003","90","","1740.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H39.94 N2 O4 -","- C88 H79.88 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0991","0.0637","","","0.1968","0.2157","","","","","","1.073","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507384","10.299","0.014","9.106","0.006","20.111","0.017","90","","113.26","0.04","90","","1733","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C88 H80 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0661","0.0405","","","0.1127","0.1235","","","","","","0.986","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507385","10.238","0.008","9.059","0.006","19.82","0.02","90","","112.86","0.04","90","","1694","2","293","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C88 H80 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.08","0.0463","","","0.1212","0.1336","","","","","","0.944","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507386","8.454","0.01","10.833","0.012","11.37","0.02","63.86","0.04","79.73","0.05","68.44","0.03","869","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetraphenylhexadiynediol and Methylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 6-Methyl-2(1H)-Pyridinone","","- C42 H36 N2 O4 -","- C42 H35.988 N2 O4 -","- C42 H35.988 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0847","0.0455","","","0.1202","0.1388","","","","","","0.988","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507387","8.46","0.02","10.84","0.03","11.35","0.03","64.31","0.11","80.49","0.08","68.68","0.06","874","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetraphenylhexadiynediol and Methylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 6-Methyl-2(1H)-Pyridinone","","- C42 H36 N2 O4 -","- C42 H35.964 N2 O4 -","- C42 H35.964 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0943","0.0513","","","0.1643","0.1822","","","","","","0.814","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507388","8.465","0.02","10.85","0.03","11.36","0.02","64.56","0.1","80.82","0.07","68.92","0.06","879","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetraphenylhexadiynediol and Methylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 6-Methyl-2(1H)-Pyridinone","","- C42 H36 N2 O4 -","- C42 H36.012 N2 O4 -","- C42 H36.012 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1003","0.05","","","0.1478","0.1724","","","","","","0.886","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507389","8.475","0.0005","10.853","0.0006","11.36","0.001","64.798","0.003","81.182","0.002","69.185","0.007","883.72","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetraphenylhexadiynediol and Methylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 6-Methyl-2(1H)-Pyridinone","","- C42 H36 N2 O4 -","- C42 H35.964 N2 O4 -","- C42 H35.964 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1374","0.0545","","","0.14","0.1825","","","","","","0.91","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507390","7.795","0.002","8.071","0.002","13.457","0.003","85.12","0.02","75.7","0.02","81.12","0.02","809.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0816","0.0458","","","0.1105","0.1225","","","","","","1.053","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507391","7.8","0.001","8.081","0.001","13.476","0.002","85.03","0.02","75.62","0.02","81.09","0.02","811.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0885","0.0471","","","0.1107","0.1231","","","","","","0.966","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507392","7.787","0.001","8.065","0.001","13.452","0.002","85.02","0.02","75.61","0.02","81.18","0.02","807.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.016 N2 O4 -","- C40 H32.016 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0764","0.0466","","","0.1192","0.1324","","","","","","0.92","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507393","7.78","0.001","8.059","0.001","13.452","0.002","84.98","0.02","75.61","0.02","81.22","0.02","806.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0786","0.0459","","","0.1139","0.1265","","","","","","0.914","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507394","7.775","0.001","8.058","0.001","13.462","0.002","84.97","0.02","75.54","0.02","81.31","0.02","806.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.02 N2 O4 -","- C40 H32.02 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0757","0.0461","","","0.1181","0.1311","","","","","","0.899","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507395","7.769","0.001","8.054","0.001","13.456","0.002","84.98","0.02","75.56","0.02","81.35","0.02","805","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.988 N2 O4 -","- C40 H31.988 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0844","0.0482","","","0.1223","0.1387","","","","","","0.889","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507396","7.773","0.001","8.057","0.001","13.47","0.002","84.97","0.02","75.51","0.02","81.44","0.02","806.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.98 N2 O4 -","- C40 H31.98 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0911","0.0493","","","0.1221","0.1379","","","","","","0.988","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507397","7.77","0.001","8.055","0.001","13.474","0.002","84.99","0.02","75.45","0.02","81.5","0.02","806.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.98 N2 O4 -","- C40 H31.98 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.083","0.0516","","","0.1331","0.1481","","","","","","0.847","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507398","7.744","0.001","7.992","0.002","13.534","0.003","85.4","0.02","75.41","0.02","82.78","0.02","803.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.008 N2 O4.112 -","- C40 H32.008 N2 O4.112 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1203","0.0635","","","0.1838","0.2161","","","","","","1.009","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507399","7.809","0.001","7.861","0.002","13.539","0.003","87.33","0.02","75.75","0.02","84.88","0.02","802.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.02 N2 O4 -","- C40 H32.02 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1302","0.0649","","","0.1669","0.1919","","","","","","1.005","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507400","7.743","0.001","7.751","0.002","13.459","0.003","87.69","0.02","76.13","0.02","85.27","0.02","781.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.988 N2 O4 -","- C40 H31.988 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.109","0.0657","","","0.1826","0.2059","","","","","","0.971","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507401","7.74","0.001","7.78","0.002","13.527","0.003","87.86","0.02","76.29","0.02","85.79","0.02","789","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.984 N2 O4 -","- C40 H31.984 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1105","0.0542","","","0.1327","0.15","","","","","","0.764","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507402","7.781","0.001","7.803","0.002","13.491","0.003","87.76","0.02","76.74","0.02","86.24","0.02","795.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.004 N2 O4 -","- C40 H32.004 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1058","0.0556","","","0.1262","0.1383","","","","","","0.837","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507403","6.9563","0.0003","9.5096","0.0006","16.9966","0.0009","86.781","0.004","89.772","0.004","72.069","0.004","1067.95","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H44 N6 O8 -","- C52 H44 N6 O8 -","- C52 H44 N6 O8 -","1","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","1.54178","CuKα","","0.0618","0.0465","","","0.1189","0.1269","","","","","","1.049","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507404","7.1066","0.0007","13.1551","0.0012","29.311","0.003","90","","91.769","0.003","90","","2738.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H62 N8 O8 -","- C66 H62 N8 O8 -","- C132 H124 N16 O16 -","2","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0791","0.0552","","","0.1381","0.1545","","","","","","1.004","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507405","5.0617","0.0002","13.1465","0.0004","17.59","0.0007","81.733","0.002","81.83","0.002","83.744","0.003","1141.89","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 Co N8 O8 -","- C52 H48 Co N8 O8 -","- C52 H48 Co N8 O8 -","1","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0809","0.0548","","","0.1093","0.1191","","","","","","1.079","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507406","18.2876","0.0003","15.78","0.0003","29.0197","0.0005","90","","108.598","0.0012","90","","7937.1","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C178 H140 Cd6 N24 O20 -","- C178 H140 Cd6 N24 O20 -","- C356 H280 Cd12 N48 O40 -","2","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0792","0.061","","","0.1593","0.1706","","","","","","1.047","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507407","42.5453","0.0005","15.8928","0.0003","30.3631","0.0005","90","","129.314","0.0009","90","","15884.1","0.5","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H44 N8 O8 Zn3 -","- C68 H44 N8 O8 Zn3 -","- C544 H352 N64 O64 Zn24 -","8","1","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.105","0.0743","","","0.1756","0.1872","","","","","","1.056","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507408","15.1307","0.0002","15.7557","0.0003","15.9818","0.0004","92.475","0.0008","117.495","0.0009","115.089","0.0011","2922.24","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.98 H49.62 Cd3 N7.66 O10.66 -","- C63.98 H49.62 Cd3 N7.66 O10.66 -","- C127.96 H99.24 Cd6 N15.32 O21.32 -","2","1","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0862","0.0579","","","0.1612","0.1767","","","","","","1.172","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507409","15.1052","0.0005","15.4394","0.0005","16.2932","0.0007","94.0207","0.001","117.553","0.0013","114.11","0.0019","2913.1","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H49 Cd3 N8 O12 -","- C57 H49 Cd3 N8 O12 -","- C114 H98 Cd6 N16 O24 -","2","1","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0767","0.0552","","","0.1148","0.1221","","","","","","1.061","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507410","12.4017","0.0006","15.577","0.0013","20.0534","0.0017","90","0.008","104.298","0.006","90","0.003","3753.9","0.5","110","2","110","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C48 H24 Cd3 Cl2 N4 O9 -","- C48 H24 Cd3 Cl2 N4 O9 -","- C96 H48 Cd6 Cl4 N8 O18 -","2","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.196","0.1215","","","0.31","0.3419","","","","","","1.015","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507411","9.3362","0.0013","15.684","0.002","13.6864","0.0018","90","","105.497","0.004","90","","1931.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-(pyridinium-4-yl)piperazine sulfadiazinide","","","- C19 H23 N7 O2 S -","- C19 H23 N7 O2 S -","- C76 H92 N28 O8 S4 -","4","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0421","0.0354","","","0.1088","0.1208","","","","","","0.867","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507412","10.7093","0.0013","14.1126","0.0017","15.9739","0.0019","90.196","0.001","105.504","0.001","91.472","0.001","2325.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sulfadiazine 4,4-bipyridine","","","- C50 H44 N14 O4 S2 -","- C50 H44 N14 O4 S2 -","- C100 H88 N28 O8 S4 -","2","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.041","0.0343","","","0.1098","0.1249","","","","","","0.93","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507413","5.734","0.003","8.057","0.004","18.163","0.01","78.438","0.007","81.646","0.008","77.011","0.007","796.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sulfadiazine 1,2-bis(4-pyridyl)acetylene","","","- C16 H14 N5 O2 S -","- C16 H14 N5 O2 S -","- C32 H28 N10 O4 S2 -","2","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0674","0.0495","","","0.1315","0.1545","","","","","","0.863","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507414","5.7617","0.0012","7.9548","0.0017","18.104","0.004","98.292","0.004","98.831","0.003","102.779","0.003","785.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sulfadiazine (E)-1,2-bis(4-pyridyl)ethylene","","","- C16 H15 N5 O2 S -","- C16 H15 N5 O2 S -","- C32 H30 N10 O4 S2 -","2","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0587","0.0472","","","0.1258","0.141","","","","","","1.058","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507415","7.834","0.005","9.005","0.005","12.31","0.007","79.922","0.007","83.513","0.006","70.167","0.006","802.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sulfadiazine 4-picoline cocrystal","","","- C16 H17 N5 O2 S -","- C16 H17 N5 O2 S -","- C32 H34 N10 O4 S2 -","2","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0536","0.0436","","","0.1298","0.146","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507416","11.9647","0.0013","8.6341","0.001","15.8757","0.0017","90","","95.112","0.005","90","","1633.5","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N6 O2 S -","- C15 H16 N6 O2 S -","- C60 H64 N24 O8 S4 -","4","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0477","0.0374","","","0.1007","0.1069","","","","","","1.059","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507417","9.1978","0.001","15.1948","0.0016","13.3595","0.0014","90","","109.537","0.005","90","","1759.6","0.3","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N6 O2 S -","- C17 H20 N6 O2 S -","- C68 H80 N24 O8 S4 -","4","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0426","0.0344","","","0.0965","0.1012","","","","","","1.077","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507418","11.6891","0.0008","4.162","0.0004","8.3196","0.0007","90","","110.834","0.005","90","","378.28","0.06","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cu Ga3 Yb -","- Cu Ga3 Yb -","- Cu4 Ga12 Yb4 -","4","0.5","","Subbarao, Udumula; Peter, Sebastian C.","Crystal Growth and Properties of YbCuGa3: First Monoclinic System in the RETX3Family","Crystal Growth & Design","2013","13","2","953","","10.1021/cg301765f","","","0.71073","MoKα","","0.0749","0.0689","","","0.2345","0.2377","","","","","","1.237","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507419","9.2552","0.0008","10.3088","0.0009","20.2933","0.0019","90","","90","","90","","1936.2","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 5c","anti-12-Hydroxy-4-tert-butyl-6-methyl-10,11-benzo-5,16-dioxa-3,9- diazatetracyclo[11.2.1.0^1,9^.0^3,7^]hexadeca-10,14-diene-2,8-dione","","- C21 H24 N2 O5 -","- C21 H24 N2 O5 -","- C84 H96 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0568","0.0506","","","0.1435","0.1509","","","","","","1.039","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507420","7.4316","0.0003","22.6244","0.0009","10.7533","0.0004","90","","90","","90","","1808.01","0.12","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 5d","anti-12-Hydroxy-4-phenyl-10,11-benzo-5,16-dioxa-3,9- diazatetracyclo[11.2.1.0^1,9^.0^3,7^]hexadeca-10,14-diene-2,8-dione","","- C22 H19 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.1223","0.1096","","","0.1631","0.1692","","","","","","1.226","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507421","7.9958","0.0002","10.2771","0.0002","22.7057","0.0005","90","","90","","90","","1865.81","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 5e","anti-12-Hydroxy-4-tert-butyl-10,11-benzo-16-oxa-5-thia-3,9- diazatetracyclo[11.2.1.0^1,9^.0^3,7^]hexadeca-10,14-diene-2,8-dione","","- C20 H23 N2 O4 S -","- C20 H22 N2 O4 S -","- C80 H88 N8 O16 S4 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0281","0.0277","","","0.082","0.0834","","","","","","0.618","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507422","5.373","0.0009","9.8442","0.0016","13.799","0.002","72.286","0.008","89.897","0.008","89.973","0.008","695.26","0.19","296","2","296","2","","","","","","","","4","P 1","P 1","1","compound 5a","anti-12-Hydroxy-10,11-benzo-5,16-dioxa-3,9- diazatetracyclo[11.2.1.0^1,9^.0^3,7^]hexadeca-10,14-diene-2,8-dione","","- C16 H14 N2 O5 -","- C16 H14 N2 O5 -","- C32 H28 N4 O10 -","2","2","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0548","0.0379","","","0.1252","0.1395","","","","","","0.604","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507423","7.2733","0.0002","11.3442","0.0004","22.914","0.0007","90","","90","","90","","1890.63","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 7d","syn-4-Hydroxy-12-phenyl-2,3-benzo-8,13-dioxa-1,11-diazatetracyclo [7.7.01,9.0^5,9^.0^11,15^]hexadeca-2,6-diene-10,16-dione","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0637","0.0449","","","0.1073","0.1173","","","","","","1.03","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507424","8.9205","0.0002","12.2652","0.0003","15.6666","0.0004","90","","90","","90","","1714.11","0.07","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 8b","anti-1-Hydroxy-5,10-dioxa-8,14-diaza-11-methyl- hexacyclo[13.6.1.0^2,6^.0^6,14^.0^8,12^.0^19,22^]doeicos- 3,15,17,19(22)-tetraene-7,13-dione","","- C19 H17 N2 O5 -","- C19 H18 N2 O5 -","- C76 H72 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.045","0.0449","","","0.184","0.1846","","","","","","0.885","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507425","8.4613","0.0001","11.7986","0.0002","17.321","0.0003","90","","90","","90","","1729.18","0.05","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 10b","syn-1-Hydroxy-10-methyl-9,23-dioxa-7,13-diazahexacyclo [12.7.1.1.0^5,13^.0^7,11^.0^18,22^]trieicos-3,14,16,18(22)-tetraene-6,12-dione","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0268","0.0264","","","0.0746","0.0754","","","","","","0.933","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507426","7.1189","0.0001","7.5252","0.0001","8.242","0.0001","104.816","0.001","115.534","0.001","96.832","0.001","371.632","0.01","296","2","296","2","","","","","","","","4","P 1","P 1","1","Compound 1c","(2R,4S,5R)-2-tert-Butyl-3-(furan-2-carbonyl)-5- methyloxazolidine-4-carboxylic acid","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C14 H19 N O5 -","1","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0348","0.0347","","","0.0915","0.092","","","","","","0.99","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507427","8.8621","0.0004","9.5987","0.0004","20.0726","0.0008","90","","90","","90","","1707.47","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","syn-1-Hydroxy-9-thia-23-oxa-7,13-diaza- hexacyclo[12.7.1.12,5.05,13.07,11.018,22]trieicos- 3,14,16,18(22)-tetraene-6,12-dione","compound 10f","","- C19 H18 N2 O4 S -","- C18.993 H18 N2 O4 S -","- C75.972 H72 N8 O16 S4 -","4","1","","Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G.","Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines.","ACS Combinatorial Science","2013","15","1","73","","10.1021/co3001296","","","0.71073","MoKα","","0.0312","0.0307","","","0.0814","0.0825","","","","","","1.014","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507428","7.942","0.005","9.763","0.007","12.245","0.009","93.077","0.011","95.394","0.011","108.561","0.012","892.6","1.1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H13 Cl N2 O3 S -","- C20 H13 Cl N2 O3 S -","- C40 H26 Cl2 N4 O6 S2 -","2","1","","Zhao, Yongmei; Dai, Qiaoling; Chen, Zhi; Zhang, Qihui; Bai, Yongcheng; Ma, Chen","One Pot Regioselective Synthesis of a Small Library of Dibenzo[b,f][1,4]thiazepin-11(10H)-ones via Smiles Rearrangement.","ACS combinatorial science","2013","15","2","130","134","10.1021/co300139s","","","0.71073","MoKα","","0.0708","0.0478","","","0.1374","0.1539","","","","","","1.05","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507429","28.65","0.002","10.0714","0.0012","19.8284","0.0017","90","","114.854","0.002","90","","5191.5","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 N2 O2 -","- C32 H30 N2 O2 -","- C256 H240 N16 O16 -","8","1","","Fu, Li-Ping; Shi, Qing-Qing; Shi, Yu; Jiang, Bo; Tu, Shu-Jiang","Three-Component Domino Reactions for Regioselective Formation of Bis-indole Derivatives.","ACS combinatorial science","2013","15","2","135","140","10.1021/co3001428","","","0.71073","MoKα","","0.1218","0.0471","","","0.0647","0.074","","","","","","0.987","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507430","13.3429","0.0014","22.031","0.002","10.8285","0.001","90","","112.944","0.001","90","","2931.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H31 F N2 O -","- C37 H31 F N2 O -","- C148 H124 F4 N8 O4 -","4","1","","Fu, Li-Ping; Shi, Qing-Qing; Shi, Yu; Jiang, Bo; Tu, Shu-Jiang","Three-Component Domino Reactions for Regioselective Formation of Bis-indole Derivatives.","ACS combinatorial science","2013","15","2","135","140","10.1021/co3001428","","","0.71073","MoKα","","0.1555","0.057","","","0.0748","0.0856","","","","","","0.993","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507431","26.531","0.0004","29.2825","0.001","21.2848","0.0004","90","","90","","90","","16536","0.7","150","2","150","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C192 H144 Cu4 N28 O12 -","- C192 H144 Cu4 N28 O12 -","- C768 H576 Cu16 N112 O48 -","4","","","He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong","Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity","ACS Catalysis","2013","3","1","1","","10.1021/cs300640r","","","1.54178","CuKα","","0.1248","0.1044","","","0.2103","0.2221","","","","","","1.006","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507432","13.373","0.005","13.767","0.005","14.926","0.005","104.973","0.005","103.729","0.005","109.545","0.005","2338.2","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C100 H80 Cu4 N20 O22 -","- C100 H80 Cu4 N20 O22 -","- C100 H80 Cu4 N20 O22 -","1","0.5","","He, Qi-Ting; Li, Xiang-Ping; Chen, Lian-Fen; Zhang, Li; Wang, Wei; Su, Cheng-Yong","Nanosized Coordination Cages Incorporating Multiple Cu(I) Reactive Sites: Host‒Guest Modulated Catalytic Activity","ACS Catalysis","2013","3","1","1","","10.1021/cs300640r","","","1.54178","CuKα","","0.0962","0.0643","","","0.1513","0.1656","","","","","","1.039","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507433","24.2414","0.0006","12.5158","0.0003","30.0577","0.0008","90","","106.816","0.003","90","","8729.6","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H50 Cl2 F5 N3 O3 Ru -","- C46 H50 Cl2 F5 N3 O3 Ru -","- C368 H400 Cl16 F40 N24 O24 Ru8 -","8","2","","Nelson, David J.; Queval, Pierre; Rouen, Mathieu; Magrez, Magaly; Toupet, Loïc; Caijo, Frédéric; Borré, Etienne; Laurent, Isabelle; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc; Percy, Jonathan M.","Synergic Effects Between N-Heterocyclic Carbene and Chelating Benzylidene‒Ether Ligands Toward the Initiation Step of Hoveyda‒Grubbs Type Ru Complexes","ACS Catalysis","2013","3","2","259","264","10.1021/cs400013z","","","0.71073","MoKα","","0.1475","0.05","","","0.0759","0.0913","","","","","","0.798","","","","has coordinates","209801","2020-10-21","18:00:00",""
"4507434","15.3916","0.0015","15.3916","0.0015","9.588","0.002","90","","90","","90","","2271.4","0.6","173","2","173","2","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C H N O Zn -","- C2.28571 N0.142857 O0.571429 Zn0.142857 -","- C64 N4 O16 Zn4 -","28","1.75","","Jasuja, Himanshu; Burtch, Nicholas C.; Huang, You-Gui; Cai, Yang; Walton, Krista S.","Kinetic water stability of an isostructural family of zinc-based pillared metal-organic frameworks.","Langmuir : the ACS journal of surfaces and colloids","2013","29","2","633","642","10.1021/la304204k","","","0.71073","MoKα","","0.2166","0.147","","","0.5084","0.5507","","","","","","1.981","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507435","21.624","0.009","21.624","0.009","38.385","0.009","90","","90","","90","","17949","11","110","2","110","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C19 H28 N3 O6 Zn -","- C19 H28 N3 O6 Zn -","- C608 H896 N96 O192 Zn32 -","32","1","","Jasuja, Himanshu; Burtch, Nicholas C.; Huang, You-Gui; Cai, Yang; Walton, Krista S.","Kinetic water stability of an isostructural family of zinc-based pillared metal-organic frameworks.","Langmuir : the ACS journal of surfaces and colloids","2013","29","2","633","642","10.1021/la304204k","","","0.71073","MoKα","","0.0625","0.0515","","","0.14","0.1503","","","","","","1.028","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507436","15.2456","0.0004","7.0415","0.0001","18.9105","0.0005","90","","92.025","0.001","90","","2028.81","0.08","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","Bong 1886","","","- C7 H9 F N8 O2 -","- C7 H9 F N8 O2 -","- C56 H72 F8 N64 O16 -","8","1","","Zhou, Zhun; Bong, Dennis","Small-molecule/polymer recognition triggers aqueous-phase assembly and encapsulation.","Langmuir : the ACS journal of surfaces and colloids","2013","29","1","144","150","10.1021/la304457y","","x-ray","0.71073","MoKα","","0.0504","0.0373","","","0.096","0.1044","","","","","","1.037","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507437","11.9773","0.0002","12.7553","0.0002","13.8238","0.0002","64.064","0.001","68.361","0.001","79.224","0.001","1764.53","0.05","190","2","190","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Bong 1887","","","- C22 H34 F4 N20 O13 -","- C22 H34 F4 N20 O13 -","- C44 H68 F8 N40 O26 -","2","1","","Zhou, Zhun; Bong, Dennis","Small-molecule/polymer recognition triggers aqueous-phase assembly and encapsulation.","Langmuir : the ACS journal of surfaces and colloids","2013","29","1","144","150","10.1021/la304457y","","x-ray","0.71073","MoKα","","0.0709","0.0419","","","0.1046","0.1193","","","","","","1.026","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507438","7.6922","0.0017","10.824","0.003","11.227","0.003","74.383","0.004","86.307","0.004","80.513","0.005","887.7","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H8 Br Fe2 N O6 S2 -","- C14 H8 Br Fe2 N O6 S2 -","- C28 H16 Br2 Fe4 N2 O12 S4 -","2","1","","Dey, Subal; Rana, Atanu; Dey, Somdatta Ghosh; Dey, Abhishek","Electrochemical Hydrogen Production in Acidic Water by an Azadithiolate Bridged Synthetic Hydrogenese Mimic: Role of Aqueous Solvation in Lowering Overpotential","ACS Catalysis","2013","3","3","429","","10.1021/cs300835a","","","0.71073","MoKα","","0.0361","0.0331","","","0.095","0.0986","","","","","","0.782","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507439","10.5325","0.0002","6.4306","0.0001","10.173","0.0002","90","","100.212","0.001","90","","678.11","0.02","223","2","223","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cu2 Nb8 O21 -","- Cu2 Nb8 O21 -","- Cu4 Nb16 O42 -","2","0.25","","Choi, Jonglak; King, Nacole; Maggard, Paul A.","Metastable cu(i)-niobate semiconductor with a low-temperature, nanoparticle-mediated synthesis.","ACS nano","2013","7","2","1699","1708","10.1021/nn305707f","","","0.71073","MoKα","","0.0507","0.0357","","","0.0693","0.0738","","","","","","1.009","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507440","24.32","0.007","7.613","0.002","6.1826","0.0018","90","","94.301","0.004","90","","1141.5","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","29DPhDNTT","29DPhDNTT","","- C34 H20 S2 -","- C34 H20 S2 -","- C68 H40 S4 -","2","0.5","","Kang, Myeong Jin; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo; Nakao, Akiko","Diphenyl Derivatives of Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene: Organic Semiconductors for Thermally Stable Thin-Film Transistors.","ACS applied materials & interfaces","2013","5","7","2331","2336","10.1021/am3026163","","","0.71073","MoKα","","0.0642","0.054","","","0.1615","0.1679","","","","","","1.25","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507441","6.9888","0.0003","46.665","0.009","7.18","0.0004","90","","90","","90","","2341.6","0.5","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","3,10-DPhDNTT","3,10-DPhDNTT","","- C34 H20 S2 -","- C34 H20 S2 -","- C136 H80 S8 -","4","0.5","","Kang, Myeong Jin; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo; Nakao, Akiko","Diphenyl Derivatives of Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene: Organic Semiconductors for Thermally Stable Thin-Film Transistors.","ACS applied materials & interfaces","2013","5","7","2331","2336","10.1021/am3026163","","","1","synchrotron","","0.0698","0.0594","","","0.1608","0.1651","","","","","","1.338","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507442","5.05464","0.00009","23.4235","0.0004","16.7903","0.0003","90","","90.676","0.006","90","","1987.79","0.06","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O2 S2 -","- C26 H21 N O2 S2 -","- C104 H84 N4 O8 S8 -","4","1","","Suzuki, Tsuyoshi; Okamoto, Toshihiro; Saeki, Akinori; Seki, Shu; Sato, Hiroyasu; Matsuo, Yutaka","Formation of photoconductive nanowires of tetracene derivative in composite thin film.","ACS applied materials & interfaces","2013","5","6","1937","1942","10.1021/am302914w","","","1.54187","CuKα","","","0.0397","","","","0.1119","","","","","","1.12","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507443","10.4014","0.0002","16.5049","0.0003","12.6499","0.0002","90","","92.9894","0.0017","90","","2168.7","0.07","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C28 H44 Cu5 I3 N8 S4 W -","- C28 H44 Cu5 I3 N8 S4 W -","- C56 H88 Cu10 I6 N16 S8 W2 -","2","0.5","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Harrington, Ross W.","Metal-to-Ligand Ratio As a Design Factor in the One-Pot Synthesis of Coordination Polymers with [MS4Cun] (M = W or Mo,n= 3 or 5) Cluster Nodes and a Flexible Pyrazole-Based Bridging Ligand","Crystal Growth & Design","2013","13","3","1023","","10.1021/cg301106g","","","1.54178","CuKα","","0.0398","0.0351","","","0.0942","0.0978","","","","","","1.009","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507444","20.117","0.0011","18.9892","0.0014","16.9251","0.001","90","","94.561","0.005","90","","6445","0.7","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H73 Cu6 I2 N13 O S8 W2 -","- C45 H73 Cu6 I2 N13 O S8 W2 -","- C180 H292 Cu24 I8 N52 O4 S32 W8 -","4","1","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Harrington, Ross W.","Metal-to-Ligand Ratio As a Design Factor in the One-Pot Synthesis of Coordination Polymers with [MS4Cun] (M = W or Mo,n= 3 or 5) Cluster Nodes and a Flexible Pyrazole-Based Bridging Ligand","Crystal Growth & Design","2013","13","3","1023","","10.1021/cg301106g","","","0.71073","MoKα","","0.1162","0.0591","","","0.0834","0.1033","","","","","","1.008","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507445","19.937","0.006","10.001","0.003","35.707","0.014","90","","97.164","0.004","90","","7064","4","150","2","150","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C45 H73 Cu6 I2 Mo2 N13 O S8 -","- C42 H66 Cu6 I2 Mo2 N12 S8 -","- C168 H264 Cu24 I8 Mo8 N48 S32 -","4","0.5","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Harrington, Ross W.","Metal-to-Ligand Ratio As a Design Factor in the One-Pot Synthesis of Coordination Polymers with [MS4Cun] (M = W or Mo,n= 3 or 5) Cluster Nodes and a Flexible Pyrazole-Based Bridging Ligand","Crystal Growth & Design","2013","13","3","1023","","10.1021/cg301106g","","","0.6889","synchrotron","","0.0516","0.0397","","","0.1029","0.1077","","","","","","1.041","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507446","8.753","0.0006","35.44","0.003","17.9595","0.001","90","","91.812","0.007","90","","5568.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Cl Mn2 O12 -","- C33 H27 Cl Mn2 O12 -","- C132 H108 Cl4 Mn8 O48 -","4","1","","Zhan, Chao; Zou, Chao; Kong, Guo-Qiang; Wu, Chuan-De","Four Honeycomb Metal‒Organic Frameworks with a Flexible Tripodal Polyaromatic Acid","Crystal Growth & Design","2013","13","4","1429","","10.1021/cg301161c","","","1.54178","CuKα","","0.1242","0.0933","","","0.2033","0.2214","","","","","","1.055","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507447","16.4674","0.0011","18.1705","0.0018","20.4456","0.0014","64.167","0.008","70.668","0.006","70.119","0.008","5055.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H95 Mn4 N5 O27 -","- C85 H95 Mn4 N5 O27 -","- C170 H190 Mn8 N10 O54 -","2","1","","Zhan, Chao; Zou, Chao; Kong, Guo-Qiang; Wu, Chuan-De","Four Honeycomb Metal‒Organic Frameworks with a Flexible Tripodal Polyaromatic Acid","Crystal Growth & Design","2013","13","4","1429","","10.1021/cg301161c","","","1.54184","CuKα","","0.1113","0.0807","","","0.1895","0.2085","","","","","","1.09","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507448","10.635","0.005","16.717","0.007","18.705","0.007","83.78","0.03","84.43","0.04","79.59","0.04","3241","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Cu2 N O13 -","- C38 H37 Cu2 N O13 -","- C76 H74 Cu4 N2 O26 -","2","1","","Zhan, Chao; Zou, Chao; Kong, Guo-Qiang; Wu, Chuan-De","Four Honeycomb Metal‒Organic Frameworks with a Flexible Tripodal Polyaromatic Acid","Crystal Growth & Design","2013","13","4","1429","","10.1021/cg301161c","","","1.54178","CuKα","","0.202","0.0819","","","0.1518","0.1933","","","","","","0.628","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507449","14.056","0.002","18.053","0.002","19.335","0.002","111.129","0.012","93.381","0.011","109.639","0.013","4218.7","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H64 Co3 O23 -","- C66 H54 Co3 O23 -","- C132 H108 Co6 O46 -","2","1","","Zhan, Chao; Zou, Chao; Kong, Guo-Qiang; Wu, Chuan-De","Four Honeycomb Metal‒Organic Frameworks with a Flexible Tripodal Polyaromatic Acid","Crystal Growth & Design","2013","13","4","1429","","10.1021/cg301161c","","","1.54178","CuKα","","0.2178","0.0936","","","0.1825","0.2428","","","","","","0.684","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507450","4.9358","0.0003","9.9438","0.0005","16.7977","0.0008","90","","90.352","0.005","90","","824.43","0.08","120","1","120","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H2 F10 N2 S2 -","- C18 H2 F10 N2 S2 -","- C36 H4 F20 N4 S4 -","2","0.5","","Siram, Raja Bhaskar Kanth; Karothu, Durga Prasad; Guru Row, Tayur N.; Patil, Satish","Unique Type II Halogen···Halogen Interactions in Pentafluorophenyl-Appended 2,2′-Bithiazoles","Crystal Growth & Design","2013","13","3","1045","","10.1021/cg3012298","","x-ray","0.71073","MoKα","","0.039","0.0314","","","0.0797","0.0848","","","","","","1.078","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507451","9.943","0.0005","15.7223","0.0007","6.2495","0.0003","90","","101.142","0.002","90","","958.55","0.08","110","1","110","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 Br2 F10 N2 S2 -","- C18 Br2 F10 N2 S2 -","- C36 Br4 F20 N4 S4 -","2","0.5","","Siram, Raja Bhaskar Kanth; Karothu, Durga Prasad; Guru Row, Tayur N.; Patil, Satish","Unique Type II Halogen···Halogen Interactions in Pentafluorophenyl-Appended 2,2′-Bithiazoles","Crystal Growth & Design","2013","13","3","1045","","10.1021/cg3012298","","x-ray","0.71073","MoKα","","0.0217","0.0196","","","0.0538","0.0543","","","","","","1.475","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507452","12.1559","0.0009","11.6994","0.0008","22.3367","0.0017","90","","101.651","0.001","90","","3111.2","0.4","185","2","185","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Eu N2 Na3 O16 -","- C24 H21 Eu N2 Na3 O16 -","- C96 H84 Eu4 N8 Na12 O64 -","4","2","","Hao, Zhaomin; Song, Shuyan; Su, Shengqun; Song, Xuezhi; Zhu, Min; Zhao, Shuna; Meng, Xing; Zhang, Hongjie","Design and Synthesis of Enantiomerically Pure Chiral Sandwichlike Lamellar Structure: New Explorations from Molecular Building Blocks to Three-Dimensional Morphology","Crystal Growth & Design","2013","13","3","976","","10.1021/cg301321r","","","0.71073","MoKα","","0.0311","0.0287","","","0.07","0.0801","","","","","","1.046","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4507453","12.1528","0.0008","11.6995","0.0008","22.334","0.0014","90","","101.584","0.001","90","","3110.8","0.4","185","2","185","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Eu N2 Na3 O16 -","- C24 H21 Eu N2 Na3 O16 -","- C96 H84 Eu4 N8 Na12 O64 -","4","2","","Hao, Zhaomin; Song, Shuyan; Su, Shengqun; Song, Xuezhi; Zhu, Min; Zhao, Shuna; Meng, Xing; Zhang, Hongjie","Design and Synthesis of Enantiomerically Pure Chiral Sandwichlike Lamellar Structure: New Explorations from Molecular Building Blocks to Three-Dimensional Morphology","Crystal Growth & Design","2013","13","3","976","","10.1021/cg301321r","","","0.71073","MoKα","","0.0335","0.0313","","","0.0799","0.087","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4507454","24.2101","0.0006","10.2706","0.0002","12.768","0.0003","90","","109.47","0.002","90","","2993.25","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cd3 O22 -","- C24 H26 Cd3 O22 -","- C96 H104 Cd12 O88 -","4","0.5","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.0307","0.0247","","","0.0634","0.065","","","","","","1.035","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507455","13.5193","0.0004","18.2105","0.0004","14.6349","0.0004","90","","97.039","0.003","90","","3575.86","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 N6 O12 Zn -","- C39 H31 N6 O12 Zn -","- C156 H124 N24 O48 Zn4 -","4","1","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.0601","0.0351","","","0.0761","0.0817","","","","","","0.954","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507456","10.0028","0.0004","11.6509","0.0004","11.6923","0.0004","82.744","0.003","71.295","0.003","79.519","0.003","1265.75","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N2 O12 Zn -","- C24 H18 N2 O12 Zn -","- C48 H36 N4 O24 Zn2 -","2","1","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.0496","0.0381","","","0.1137","0.1172","","","","","","1.047","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507457","10.0678","0.0006","11.5713","0.0005","11.7061","0.0008","82.629","0.004","70.752","0.006","80.001","0.004","1264.24","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Co N2 O12 -","- C24 H18 Co N2 O12 -","- C48 H36 Co2 N4 O24 -","2","1","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.0701","0.0449","","","0.1173","0.1243","","","","","","0.989","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507458","8.1","0.0007","11.11","0.0009","15.9077","0.001","106.128","0.006","96.718","0.006","96.03","0.007","1351.5","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cd N2 O15 -","- C22 H18 Cd N2 O15 -","- C44 H36 Cd2 N4 O30 -","2","1","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.032","0.0261","","","0.0737","0.0747","","","","","","1.059","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507459","12.0239","0.0015","13.482","0.0017","14.0414","0.0018","70.491","0.002","77.141","0.002","89.312","0.002","2086.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H18 O8 Zn -","- C34 H18 O8 Zn -","- C68 H36 O16 Zn2 -","2","1","","Karra, Jagadeswara R.; Huang, You-Gui; Walton, Krista S.","Synthesis, Characterization, and Adsorption Studies of Nickel(II), Zinc(II), and Magnesium(II) Coordination Frameworks of BTTB","Crystal Growth & Design","2013","13","3","1075","","10.1021/cg3013393","","","0.71073","MoKα","","0.1239","0.0826","","","0.2258","0.2444","","","","","","1.036","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507460","17.823","0.003","30.112","0.004","10.7574","0.0012","90","","118.559","0.011","90","","5070.9","1.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Mg0.5 O5 -","- C18 H12 Mg0.5 O5 -","- C144 H96 Mg4 O40 -","8","1","","Karra, Jagadeswara R.; Huang, You-Gui; Walton, Krista S.","Synthesis, Characterization, and Adsorption Studies of Nickel(II), Zinc(II), and Magnesium(II) Coordination Frameworks of BTTB","Crystal Growth & Design","2013","13","3","1075","","10.1021/cg3013393","","","1.54178","CuKα","","0.1274","0.0885","","","0.2417","0.2709","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507461","6.2836","0.0016","10.732","0.003","14.356","0.004","95.441","0.004","98.941","0.004","103.448","0.004","921.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 Ni0.5 O7 -","- C21 H16 Ni0.5 O7 -","- C42 H32 Ni O14 -","2","1","","Karra, Jagadeswara R.; Huang, You-Gui; Walton, Krista S.","Synthesis, Characterization, and Adsorption Studies of Nickel(II), Zinc(II), and Magnesium(II) Coordination Frameworks of BTTB","Crystal Growth & Design","2013","13","3","1075","","10.1021/cg3013393","","","0.71073","MoKα","","0.1307","0.0767","","","0.2188","0.2553","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507462","25.8154","0.0012","3.888","0.0006","6.1323","0.0006","90","","88.416","0.004","90","","615.27","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","isoniazid - benzoic acid cocrystal","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.1125","0.0623","","","0.1133","0.1329","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507463","6.8942","0.0006","7.1004","0.0006","12.4475","0.0012","104.455","0.004","92.4","0.003","95.106","0.004","586.4","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","isoniazid - sebacic acid cocrystal","","","- C22 H32 N6 O6 -","- C22 H32 N6 O6 -","- C22 H32 N6 O6 -","1","0.5","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.1163","0.0617","","","0.1347","0.16","","","","","","1.04","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507464","6.8989","0.0002","7.4686","0.0003","21.375","0.0009","84.096","0.001","82.381","0.001","89.843","0.002","1085.77","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","izoniazid - suberic acid cocrystal","","","- C20 H28 N6 O6 -","- C20 H28 N6 O6 -","- C40 H56 N12 O12 -","2","1","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.0666","0.0453","","","0.1145","0.1296","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507465","7.4573","0.0003","9.5154","0.0004","10.1737","0.0003","96.904","0.003","103.264","0.002","101.946","0.0018","676.7","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","isoniazid - cinnamic acid cocrystal","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C30 H30 N6 O6 -","2","1","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.0742","0.0504","","","0.1277","0.1436","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507466","14.9124","0.0008","3.7468","0.0002","24.3089","0.0016","90","","96.975","0.002","90","","1348.18","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isoniazid - cinnamic cocrystal II","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.1392","0.0675","","","0.1555","0.2012","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507467","12.449","0.003","17.904","0.004","27.691","0.006","90","","90","","90","","6172","2","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Iridium 1","Iridium (4-trifluoromethylphenylbenzothiazole)2 (acac)","","- C33 H21 F6 Ir N2 O2 S2 -","- C33 H21 F6 Ir N2 O2 S2 -","- C264 H168 F48 Ir8 N16 O16 S16 -","8","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0571","0.0356","","","0.0776","0.0879","","","","","","0.97","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507468","10.0877","0.0001","18.273","0.0002","30.8642","0.0003","90","","90","","90","","5689.28","0.1","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Iridium 2","Iridium (4-methylphenylbenzothiazole)2 (acac)","","- C33 H27 Ir N2 O2 S2 -","- C33 H27 Ir N2 O2 S2 -","- C264 H216 Ir8 N16 O16 S16 -","8","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.058","0.0347","","","0.0782","0.0884","","","","","","1.041","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507469","17.1215","0.0002","17.2024","0.0002","18.135","0.0003","90","","90","","90","","5341.32","0.12","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Iridium 3","Iridium (4-fluorophenylbenzothiazole)2 (acac)","","- C31 H21 F2 Ir N2 O2 S2 -","- C31 H21 F2 Ir N2 O2 S2 -","- C248 H168 F16 Ir8 N16 O16 S16 -","8","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0513","0.0313","","","0.0688","0.0782","","","","","","1.04","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507470","11.7852","0.0001","21.8859","0.0002","21.4317","0.0002","90","","97.2931","0.0005","90","","5483.15","0.09","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Iridium 4","Iridium (3-fluoromethylphenylbenzothiazole)2 (acac)?","","- C31 H21 F2 Ir N2 O2 S2 -","- C31 H21 F2 Ir N2 O2 S2 -","- C248 H168 F16 Ir8 N16 O16 S16 -","8","2","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0805","0.047","","","0.0911","0.1036","","","","","","1.016","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507471","20.0107","0.0001","63.6177","0.0006","17.7788","0.0002","90","","106.194","0.0004","90","","21735","0.3","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","Iridium 5","Iridium (phenylbenzothiazole)2 (acac)","","- C31 H23 Ir N2 O2 S2 -","- C31 H23 Ir N2 O2 S2 -","- C992 H736 Ir32 N64 O64 S64 -","32","8","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0629","0.0473","","","0.0903","0.0981","","","","","","1.053","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507472","10.857","0.0002","16.1514","0.0004","17.1152","0.0004","90","","106.982","0.0014","90","","2870.38","0.11","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Iridium 6","Iridium (4-methoxyphenylbenzothiazole)2 (acac)","","- C33 H27 Ir N2 O4 S2 -","- C33 H27 Ir N2 O4 S2 -","- C132 H108 Ir4 N8 O16 S8 -","4","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0717","0.0417","","","0.0769","0.0884","","","","","","1.027","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507473","16.951","0.003","17.985","0.004","21.263","0.004","90","","90","","90","","6482","2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Iridium 7","Iridium (4-trifluoromethylphenylbenzothiazole)2 (pyridine carboxylic acid)","","- C34 H18 F6 Ir N3 O2.88 S2 -","- C34 H18 F6 Ir N3 O2.875 S2 -","- C272 H144 F48 Ir8 N24 O23 S16 -","8","2","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0329","0.0273","","","0.0555","0.0583","","","","","","1.048","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507474","13.5616","0.00023","6.24896","0.0001","9.80579","0.00018","90","","112.2","0.0011","90","","769.4","0.02","373","","373","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis-4-aminocyclohexanecarboxylic acid","cis-4-ammoniocyclohexanecarboxylate","","- C7 H13 N O2 -","- C7 H13 N O2 -","- C28 H52 N4 O8 -","4","1","","Mora, Asiloé J.; Belandria, Lusbely M.; Ávila, Edward E.; Seijas, Luis E.; Delgado, Gerzon E.; Miró, Aira; Almeida, Rafael; Brunelli, Michela; Fitch, Andrew N.","Investigating the Stability of Double Head to Tail Dimers and Ribbons in Multicomponent Crystals ofcis-4-Aminocyclohexanecarboxilic Acid with Water and Oxalic Acid","Crystal Growth & Design","2013","13","5","1849","","10.1021/cg3014392","powder diffraction","x-ray","0.334971","","","","","","","","","0.11244","","2.71","","","","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507475","6.286","0.003","8.879","0.004","9.839","0.004","93.625","0.004","98.813","0.004","95.604","0.004","538.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","cis-4-carboxycyclohexanaminiumoxalate:oxalic acid","cis-4-carboxycyclohexanaminiumoxalate:oxalic acid","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C18 H30 N2 O12 -","2","1","","Mora, Asiloé J.; Belandria, Lusbely M.; Ávila, Edward E.; Seijas, Luis E.; Delgado, Gerzon E.; Miró, Aira; Almeida, Rafael; Brunelli, Michela; Fitch, Andrew N.","Investigating the Stability of Double Head to Tail Dimers and Ribbons in Multicomponent Crystals ofcis-4-Aminocyclohexanecarboxilic Acid with Water and Oxalic Acid","Crystal Growth & Design","2013","13","5","1849","","10.1021/cg3014392","","","0.71073","MoKα","","0.076","0.0584","","","0.1592","0.1854","","","","","","1.124","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507476","14.7306","0.0004","19.4915","0.0005","8.2614","0.0002","90","","123.237","0.001","90","","1983.99","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N8 O4 -","- C20 H26 N8 O4 -","- C80 H104 N32 O16 -","4","0.5","","Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)","Crystal Growth & Design","2013","13","5","1872","","10.1021/cg3014688","","","1.54178","CuKα","","0.0419","0.0388","","","0.1103","0.1139","","","","","","1.077","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507477","18.2469","0.0006","13.187","0.0005","18.6203","0.0006","90","","90","","90","","4480.5","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","P b c a","-P 2ac 2ab","61","","","","- C21 H28 N8 O7 -","- C21 H28 N8 O7 -","- C168 H224 N64 O56 -","8","1","","Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)","Crystal Growth & Design","2013","13","5","1872","","10.1021/cg3014688","","","1.54178","CuKα","","0.048","0.0453","","","0.1164","0.1184","","","","","","1.103","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507478","13.8325","0.0006","10.0215","0.0005","7.2137","0.0003","90","","112.385","0.002","90","","924.63","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N4 O4 -","- C8 H12 N4 O4 -","- C32 H48 N16 O16 -","4","0.5","","Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)","Crystal Growth & Design","2013","13","5","1872","","10.1021/cg3014688","","","1.54178","CuKα","","0.0358","0.0355","","","0.1059","0.1064","","","","","","1.037","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507479","6.9051","0.0003","17.6822","0.0008","9.3199","0.0004","90","","109.521","0.002","90","","1072.53","0.08","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 N8 O8 -","- C16 H32 N8 O8 -","- C32 H64 N16 O16 -","2","0.5","","Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)","Crystal Growth & Design","2013","13","5","1872","","10.1021/cg3014688","","","1.54178","CuKα","","0.0376","0.0373","","","0.1064","0.1068","","","","","","1.055","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507480","8.1933","0.0003","7.7393","0.0003","11.4405","0.0004","90","","94.486","0.003","90","","723.22","0.05","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 O2 -","- C10 H6 O2 -","- C40 H24 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0347","0.0306","","","0.0834","0.0859","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507481","6.8664","0.0003","20.9003","0.0011","22.0448","0.0008","90","","90","","90","","3163.6","0.2","150.1","","150.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0991","0.0626","","","0.1001","0.1145","","","","","","1.027","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507482","6.8006","0.0004","22.1731","0.0009","7.3916","0.0005","90","","117.031","0.007","90","","992.83","0.12","149.9","","149.9","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C46 H60 O6 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0348","0.0315","","","0.0735","0.0756","","","","","","1.043","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507483","6.9652","0.0003","10.9689","0.0003","31.2143","0.0011","90","","90","","90","","2384.79","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O4 S2 -","- C24 H36 O4 S2 -","- C96 H144 O16 S8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0476","0.0432","","","0.0924","0.0981","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507484","12.3596","0.0006","6.9442","0.0003","13.9837","0.0008","90","","111","0.006","90","","1120.47","0.11","149.9","","149.9","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O3 -","- C25 H36 O3 -","- C50 H72 O6 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0729","0.0578","","","0.14","0.1516","","","","","","1.048","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507485","16.4467","0.0003","8.3661","0.0002","9.1549","0.0002","90","","107.642","0.001","90","","1200.42","0.05","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H34 Co N2 O9 -","- C24 H30 Co N2 O9 -","- C48 H60 Co2 N4 O18 -","2","0.5","","Ingram, Conrad W.; Liao, Liang; Bacsa, John; Harruna, Issifu; Sabo, Daniel; Zhang, Z. John","Novel Layered 2D and Triply Interpenetrating 3D Cobalt-Functionalized Diaza-12-crown Based Coordination Polymers: Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2013","13","3","1131","","10.1021/cg301480s","","","0.71073","MoKα","","0.0346","0.0342","","","0.0857","0.086","","","","","","1.046","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507486","14.8991","0.0015","11.3688","0.0012","17.9705","0.0018","90","","90.782","0.002","90","","3043.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","73.11Co","","","- C26 H38 Co2 N2 O16 -","- C26 H30 Co2 N2 O16 -","- C104 H120 Co8 N8 O64 -","4","1","","Ingram, Conrad W.; Liao, Liang; Bacsa, John; Harruna, Issifu; Sabo, Daniel; Zhang, Z. John","Novel Layered 2D and Triply Interpenetrating 3D Cobalt-Functionalized Diaza-12-crown Based Coordination Polymers: Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2013","13","3","1131","","10.1021/cg301480s","","","0.71073","MoKα","","0.1009","0.0795","","","0.2116","0.2257","","","","","","1.064","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507487","17.0971","0.0003","17.0971","0.0003","13.6304","0.0005","90","","90","","120","","3450.52","0.15","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C48 H24 Cd3 N6 O25 -","- C48 H24 Cd3 N6 O24.99 -","- C96 H48 Cd6 N12 O49.98 -","2","0.333333","","Han, Liqin; Yan, Yan; Sun, Fuxing; Cai, Kun; Borjigin, Tsolmon; Zhao, Xiaojun; Qu, Fengyu; Zhu, Guangshan","Single- and Double-Layer Structures and Sorption Properties of Two Microporous Metal‒Organic Frameworks with Flexible Tritopic Ligand","Crystal Growth & Design","2013","13","4","1458","","10.1021/cg301559s","","","0.71073","MoKα","","0.0931","0.0886","","","0.2507","0.2591","","","","","","1.038","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507488","16.5254","0.0003","16.5254","0.0003","14.0982","0.0006","90","","90","","120","","3334.25","0.17","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C48 H24 N6 O23 Zn3 -","- C48 H24 N6 O20 Zn3 -","- C96 H48 N12 O40 Zn6 -","2","0.166667","","Han, Liqin; Yan, Yan; Sun, Fuxing; Cai, Kun; Borjigin, Tsolmon; Zhao, Xiaojun; Qu, Fengyu; Zhu, Guangshan","Single- and Double-Layer Structures and Sorption Properties of Two Microporous Metal‒Organic Frameworks with Flexible Tritopic Ligand","Crystal Growth & Design","2013","13","4","1458","","10.1021/cg301559s","","","0.71073","MoKα","","0.0352","0.0287","","","0.0764","0.08","","","","","","0.779","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507489","9.4902","0.0004","5.3041","0.0003","21.2846","0.0008","90","","92.398","0.003","90","","1070.46","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Adenine:succinic acid","","- C9 H11 N5 O4 -","- C9 H11 N5 O4 -","- C36 H44 N20 O16 -","4","1","","Thompson, Laura J.; Elias, Norhanida; Male, Louise; Tremayne, Maryjane","Supramolecular Behavior of Adenine with Succinic, Fumaric, and Maleic Acids: Tautomerism, Cocrystallization, Salt Formation, and Solvation","Crystal Growth & Design","2013","13","4","1464","","10.1021/cg301561j","","","0.71073","MoKα","","0.0817","0.0586","","","0.1123","0.1257","","","","","","1.114","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507490","3.616","0.0001","13.073","0.0006","22.0296","0.0009","90","","94.633","0.003","90","","1037.98","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Adenine:fumaric acid","","- C9 H9 N5 O4 -","- C9 H9 N5 O4 -","- C36 H36 N20 O16 -","4","1","","Thompson, Laura J.; Elias, Norhanida; Male, Louise; Tremayne, Maryjane","Supramolecular Behavior of Adenine with Succinic, Fumaric, and Maleic Acids: Tautomerism, Cocrystallization, Salt Formation, and Solvation","Crystal Growth & Design","2013","13","4","1464","","10.1021/cg301561j","","","0.71073","MoKα","","0.0792","0.0552","","","0.1045","0.1183","","","","","","1.093","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507491","3.61","0.003","13.323","0.011","22.187","0.019","90","","92.258","0.007","90","","1066.3","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Adenine:maleic acid","","- C9 H9 N5 O4 -","- C9 H9 N5 O4 -","- C36 H36 N20 O16 -","4","1","","Thompson, Laura J.; Elias, Norhanida; Male, Louise; Tremayne, Maryjane","Supramolecular Behavior of Adenine with Succinic, Fumaric, and Maleic Acids: Tautomerism, Cocrystallization, Salt Formation, and Solvation","Crystal Growth & Design","2013","13","4","1464","","10.1021/cg301561j","","","0.6889","","","0.0582","0.0416","","","0.102","0.1108","","","","","","1.052","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507492","5.2815","0.0001","10.0506","0.0002","22.0125","0.0004","78.191","0.001","85.16","0.001","80.017","0.001","1124.98","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Adenine:maleic acid:methanol","","- C9.5 H11 N5 O4.5 -","- C9.5 H11 N5 O4.5 -","- C38 H44 N20 O18 -","4","2","","Thompson, Laura J.; Elias, Norhanida; Male, Louise; Tremayne, Maryjane","Supramolecular Behavior of Adenine with Succinic, Fumaric, and Maleic Acids: Tautomerism, Cocrystallization, Salt Formation, and Solvation","Crystal Growth & Design","2013","13","4","1464","","10.1021/cg301561j","","","1.54184","CuKα","","0.0404","0.0345","","","0.0901","0.0938","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507493","5.9245","0.0004","45.446","0.003","7.7993","0.0006","90","","94.178","0.002","90","","2094.3","0.3","290","1","290","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 S -","- C25 H22 N2 S -","- C100 H88 N8 S4 -","4","1","","Seo, Ji-Youn; Jazbinsek, Mojca; Choi, Eun-Young; Lee, Seung-Heon; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Kwon, O-Pil","Unusual Twisting and Bending of Phenyltriene with Methylthiolated Biphenyl Sulfane Group in the Crystalline State","Crystal Growth & Design","2013","13","3","1014","","10.1021/cg301625d","","","0.71073","MoKα","","0.0878","0.0552","","","0.1334","0.154","","","","","","1.174","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507494","5.7277","0.0003","43.616","0.002","8.0965","0.0005","90","","91.1839","0.0017","90","","2022.23","0.19","290","1","290","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 S -","- C24 H20 N2 S -","- C96 H80 N8 S4 -","4","1","","Seo, Ji-Youn; Jazbinsek, Mojca; Choi, Eun-Young; Lee, Seung-Heon; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Kwon, O-Pil","Unusual Twisting and Bending of Phenyltriene with Methylthiolated Biphenyl Sulfane Group in the Crystalline State","Crystal Growth & Design","2013","13","3","1014","","10.1021/cg301625d","","","0.71073","MoKα","","0.1204","0.0556","","","0.1426","0.1814","","","","","","1.041","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507495","5.6649","0.0002","44.2183","0.0015","9.2378","0.0004","90","","97.1237","0.0012","90","","2296.13","0.15","290","1","290","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 S2 -","- C26 H24 N2 S2 -","- C104 H96 N8 S8 -","4","1","","Seo, Ji-Youn; Jazbinsek, Mojca; Choi, Eun-Young; Lee, Seung-Heon; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Kwon, O-Pil","Unusual Twisting and Bending of Phenyltriene with Methylthiolated Biphenyl Sulfane Group in the Crystalline State","Crystal Growth & Design","2013","13","3","1014","","10.1021/cg301625d","","","0.71073","MoKα","","0.0781","0.0434","","","0.1209","0.146","","","","","","1.128","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507496","6.2408","0.0005","17.238","0.0014","16.7115","0.0016","90","","91.427","0.003","90","","1797.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 S -","- C20 H20 N2 S -","- C80 H80 N8 S4 -","4","1","","Seo, Ji-Youn; Jazbinsek, Mojca; Choi, Eun-Young; Lee, Seung-Heon; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Kwon, O-Pil","Unusual Twisting and Bending of Phenyltriene with Methylthiolated Biphenyl Sulfane Group in the Crystalline State","Crystal Growth & Design","2013","13","3","1014","","10.1021/cg301625d","","","0.71073","MoKα","","0.0721","0.0428","","","0.1001","0.1115","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507497","19.514","0.004","17.533","0.004","11.637","0.002","90","","109.2","0.03","90","","3760","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 N4 O3 -","- C22 H17 N4 O3 -","- C176 H136 N32 O24 -","8","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.789","synchrotron","","0.0603","0.0587","","","0.1599","0.1614","","","","","","1.035","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507498","16.211","0.003","21.047","0.004","16.576","0.004","90","","107.906","0.005","90","","5381.7","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 Co N8 O14 -","- C44 H34 Co N8 O14 -","- C176 H136 Co4 N32 O56 -","4","0.5","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.71073","MoKα","","0.1662","0.0732","","","0.1713","0.2037","","","","","","0.804","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507499","12.84","0.003","13.386","0.003","18.77","0.004","71.71","0.03","84.54","0.03","62.64","0.03","2715.9","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H55 N11 Ni O10 -","- C53 H55 N11 Ni O10 -","- C106 H110 N22 Ni2 O20 -","2","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.738","synchrotron","","0.1604","0.0846","","","0.2097","0.2496","","","","","","0.936","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507500","9.233","0.0018","12.419","0.003","18.88","0.004","105.73","0.03","95.45","0.03","94.09","0.03","2063.7","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cu2 N8 O10 -","- C44 H40 Cu2 N8 O10 -","- C88 H80 Cu4 N16 O20 -","2","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.789","synchrotron","","0.0668","0.057","","","0.1573","0.168","","","","","","1.05","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507501","10.808","0.002","14.539","0.003","16.626","0.003","111.03","0.03","96.96","0.03","93.92","0.03","2402.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 Cu2 N10 O10 -","- C50 H46 Cu2 N10 O10 -","- C100 H92 Cu4 N20 O20 -","2","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.7513","synchrotron","","0.0519","0.0507","","","0.145","0.1467","","","","","","1.078","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507502","12.2619","0.0016","13.8402","0.0018","15.549","0.002","68.296","0.002","79.036","0.002","89.716","0.002","2400.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Cu2 N8 O8 S2 -","- C48 H44 Cu2 N8 O8 S2 -","- C96 H88 Cu4 N16 O16 S4 -","2","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.71073","MoKα","","0.1787","0.0648","","","0.16","0.2257","","","","","","0.956","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507503","12.818","0.003","10.705","0.002","20.701","0.004","90","","95.86","0.03","90","","2825.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cu N4 O6 S2 -","- C26 H30 Cu N4 O6 S2 -","- C104 H120 Cu4 N16 O24 S8 -","4","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.7513","synchrotron","","0.066","0.0637","","","0.1825","0.1854","","","","","","1.043","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507504","4.898","0.0008","14.698","0.002","10.3341","0.0016","90","","98.774","0.004","90","","735.25","0.19","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","methyl paraben","methyl 4-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Gelbrich, Thomas; Braun, Doris E.; Ellern, Arkady; Griesser, Ulrich J.","Four Polymorphs of Methyl Paraben: Structural Relationships and Relative Energy Differences.","Crystal growth & design","2013","13","3","1206","1217","10.1021/cg301639r","","","0.71073","MoKα","","0.0977","0.0354","","","0.0577","0.0637","","","","","","0.942","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507505","17.517","0.005","7.2602","0.0018","6.224","0.002","90","","107.61","0.03","90","","754.5","0.4","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","methyl paraben","methyl 4-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Gelbrich, Thomas; Braun, Doris E.; Ellern, Arkady; Griesser, Ulrich J.","Four Polymorphs of Methyl Paraben: Structural Relationships and Relative Energy Differences.","Crystal growth & design","2013","13","3","1206","1217","10.1021/cg301639r","","","1.5418","CuKα","","0.094","0.053","","","0.1017","0.134","","","","","","0.854","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507506","5.9845","0.0006","8.3384","0.0006","14.4209","0.0012","90","","96.526","0.009","90","","714.96","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","methyl paraben","methyl 4-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Gelbrich, Thomas; Braun, Doris E.; Ellern, Arkady; Griesser, Ulrich J.","Four Polymorphs of Methyl Paraben: Structural Relationships and Relative Energy Differences.","Crystal growth & design","2013","13","3","1206","1217","10.1021/cg301639r","","","0.71073","MoKα","","0.0786","0.0489","","","0.1052","0.1187","","","","","","0.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507507","46.038","0.003","46.038","0.003","11.3254","0.0003","90","","90","","90","","24004","2","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co La2 N8 O29 -","- C48 H36 Co La2 N8 O29 -","- C768 H576 Co16 La32 N128 O464 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0806","0.0593","","","0.1654","0.1829","","","","","","1.089","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507508","45.942","0.0013","45.942","0.0013","11.2367","0.0004","90","","90","","90","","23716.9","1.3","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H52 Co N8 O30 Pr2 -","- C48 H36 Co N8 O30 Pr2 -","- C768 H576 Co16 N128 O480 Pr32 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.1511","0.0778","","","0.1805","0.2281","","","","","","1.029","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507509","45.7979","0.0007","45.7979","0.0007","11.2276","0.0002","90","","90","","90","","23549.3","0.7","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co N8 Nd2 O29 -","- C48 H34 Co N8 Nd2 O29 -","- C768 H544 Co16 N128 Nd32 O464 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0879","0.0564","","","0.1379","0.1572","","","","","","1.03","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507510","45.9697","0.001","45.9697","0.001","11.1834","0.0003","90","","90","","90","","23632.9","1","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co N8 O29 Sm2 -","- C48 H36 Co N8 O29 Sm2 -","- C768 H576 Co16 N128 O464 Sm32 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0652","0.0442","","","0.1144","0.129","","","","","","1.044","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507511","45.8777","0.0007","45.8777","0.0007","11.10616","0.0002","90","","90","","90","","23375.8","0.7","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co Eu2 N8 O29 -","- C48 H36 Co Eu2 N8 O29 -","- C768 H576 Co16 Eu32 N128 O464 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0818","0.0574","","","0.1408","0.1595","","","","","","1.022","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507512","45.204","0.002","45.204","0.002","10.7836","0.0005","90","","90","","90","","22035.2","1.7","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H46 Co Gd2 N8 O27 -","- C48 H36 Co Gd2 N8 O27 -","- C768 H576 Co16 Gd32 N128 O432 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.093","0.0689","","","0.1911","0.2102","","","","","","1.091","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507513","45.822","0.0007","45.822","0.0007","11.0046","0.0003","90","","90","","90","","23105.9","0.8","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H48 Co N8 O28 Tb2 -","- C48 H36 Co N8 O28 Tb2 -","- C768 H576 Co16 N128 O448 Tb32 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0705","0.0547","","","0.1401","0.1491","","","","","","1.096","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507514","45.87","0.004","45.87","0.004","10.998","0.0007","90","","90","","90","","23140","3","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H48 Co Dy2 N8 O29 -","- C48 H36 Co Dy2 N8 O28 -","- C768 H576 Co16 Dy32 N128 O448 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.1463","0.0762","","","0.185","0.2202","","","","","","0.994","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507515","16.954","0.005","16.954","0.005","13.846","0.005","90","0.005","90","0.005","120","0.005","3446.7","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl N12 Ni2 O6 -","- C63 H39 Cl N12 Ni2 O6 -","- C126 H78 Cl2 N24 Ni4 O12 -","2","0.166667","","Agarwal, Rashmi A.; Aijaz, Arshad; Sañudo, Carolina; Xu, Qiang; Bharadwaj, Parimal K.","Gas Adsorption and Magnetic Properties in Isostructural Ni(II), Mn(II), and Co(II) Coordination Polymers","Crystal Growth & Design","2013","13","3","1238","","10.1021/cg3016904","","","0.71073","MoKα","","0.0762","0.0587","","","0.1745","0.1921","","","","","","1.109","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507516","17.275","0.005","17.275","0.003","14.107","0.005","90","0.005","90","0.005","120","0.005","3645.9","1.8","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Mn2 N12 O6 -","- C63 H39 Cl Mn2 N12 O6 -","- C126 H78 Cl2 Mn4 N24 O12 -","2","0.166667","","Agarwal, Rashmi A.; Aijaz, Arshad; Sañudo, Carolina; Xu, Qiang; Bharadwaj, Parimal K.","Gas Adsorption and Magnetic Properties in Isostructural Ni(II), Mn(II), and Co(II) Coordination Polymers","Crystal Growth & Design","2013","13","3","1238","","10.1021/cg3016904","","","0.71073","MoKα","","0.0898","0.0535","","","0.12","0.1297","","","","","","0.835","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507517","39.12","0.005","39.12","0.005","39.12","0.005","90","","90","","90","","59868","13","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 H8 O32 S4 Zr6.13 -","- C24 H8 O32 S4 Zr6.45 -","- C576 H192 O768 S96 Zr154.8 -","24","0.125","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0709","0.0705","","","0.2061","0.2064","","","","","","1.104","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507518","39.01","0.005","39.01","0.005","39.01","0.005","90","","90","","90","","59365","13","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 H8 Hf6.45 O32 S4 -","- C24 H8 Hf6.45 O32 S4 -","- C576 H192 Hf154.8 O768 S96 -","24","0.125","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.037","0.0366","","","0.1243","0.1246","","","","","","1.145","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507519","53.68","0.006","53.68","0.006","53.68","0.006","90","","90","","90","","154681","3","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C26.4 H8 O32.6 S4.4 Zr6.07 -","- C26.4 H8 O32.6 S4.4 Zr6.072 -","- C1584 H480 O1956 S264 Zr364.32 -","60","0.625","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0845","0.0795","","","0.2328","0.2403","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507520","53.51","0.006","53.51","0.006","53.51","0.006","90","","90","","90","","153216","3","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C26.4 H8.8 Hf6.09 O32.8 S4.4 -","- C26.4 H8.8 Hf6.092 O32.8 S4.4 -","- C1584 H528 Hf365.52 O1968 S264 -","60","0.625","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0644","0.0611","","","0.1853","0.1891","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507521","13.57","0.003","19.8","0.004","28.39","0.006","90","","90","","90","","7628","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H10 O32 S5 Zr6 -","- C30 H10 O32 S5 Zr6 -","- C120 H40 O128 S20 Zr24 -","4","1","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.1037","0.0888","","","0.2562","0.2771","","","","","","1.072","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507522","13.53","0.003","19.71","0.004","28.3","0.006","90","","90","","90","","7547","3","293","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H10 Hf6 O32 S5 -","- C30 H10 Hf6 O32 S5 -","- C120 H40 Hf24 O128 S20 -","4","1","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0524","0.0509","","","0.1507","0.1517","","","","","","1.105","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507523","22.375","0.002","22.375","0.002","22.375","0.002","90","","90","","90","","11201.8","1.7","100","2","100","2","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C30 H23 In N4 S3 -","- C30 H23 In N4 S3 -","- C360 H276 In12 N48 S36 -","12","0.25","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.0881","0.0863","","","0.2173","0.2199","","","","","","1.016","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507524","22.086","0.002","22.086","0.002","22.086","0.002","90","","90","","90","","10773.4","1.7","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C19 H12.67 Cl3 In N6.33 -","- C19.008 H12.672 Cl3 In N6.336 -","- C114.048 H76.032 Cl18 In6 N38.016 -","6","0.25","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.1683","0.0812","","","0.1898","0.224","","","","","","1.008","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507525","10.283","0.003","13.703","0.003","16.698","0.004","90","","90","","90","","2352.9","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 In N4 O S2 -","- C24 H19 In N4 O S2 -","- C96 H76 In4 N16 O4 S8 -","4","1","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.0615","0.0447","","","0.0795","0.0826","","","","","","1.002","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507526","10.922","0.002","13.515","0.003","22.18","0.003","90","","119.18","0.03","90","","2858.5","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H30 In N4 O3 S2 -","- C27.501 H24.848 In N4 O3.001 S2 -","- C110.004 H99.392 In4 N16 O12.004 S8 -","4","1","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.0332","0.0268","","","0.0703","0.0722","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507527","12.4378","0.0006","14.7717","0.0008","16.6097","0.0009","90","","90","","90","","3051.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís","Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids","Crystal Growth & Design","2013","13","3","1260","","10.1021/cg301725z","","","0.71073","MoKα","","0.0793","0.0594","","","0.159","0.1748","","","","","","1.053","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507528","12.6991","0.0005","15.5711","0.0006","16.3313","0.0006","90","","90","","90","","3229.3","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Mn N2 O6 -","- C16 H16 Mn N2 O6 -","- C128 H128 Mn8 N16 O48 -","8","1","","Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís","Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids","Crystal Growth & Design","2013","13","3","1260","","10.1021/cg301725z","","","0.71073","MoKα","","0.0983","0.0882","","","0.2477","0.2584","","","","","","1.084","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507529","12.6358","0.0008","15.2897","0.0009","16.4183","0.001","90","","90","","90","","3172","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Mn N2 O6 -","- C16 H16 Mn N2 O6 -","- C128 H128 Mn8 N16 O48 -","8","1","","Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís","Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids","Crystal Growth & Design","2013","13","3","1260","","10.1021/cg301725z","","","0.71073","MoKα","","0.1031","0.0685","","","0.1652","0.1879","","","","","","1.086","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507530","17.9946","0.0019","20.49","0.002","27.772","0.003","82.113","0.002","72.543","0.002","84.884","0.002","9663.3","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H92 N30 O33 Zn8 -","- C139 H92 N30 O33 Zn8 -","- C278 H184 N60 O66 Zn16 -","2","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.1497","0.0701","","","0.163","0.1791","","","","","","0.934","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507531","19.0758","0.0019","19.0758","0.0019","11.429","0.002","90","","90","","120","","3601.7","0.8","298","2","298","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C144 H96 N24 O24 Zn6 -","6","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.098","0.0894","","","0.2307","0.2354","","","","","","1.084","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507532","8.5692","0.0012","20.821","0.003","15.037","0.002","90","","97.053","0.002","90","","2662.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N6 O5.5 Zn -","- C25 H20 N6 O5.5 Zn -","- C100 H80 N24 O22 Zn4 -","4","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0553","0.0441","","","0.1281","0.1371","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507533","36.3142","0.0019","36.3142","0.0019","36.3142","0.0019","90","","90","","90","","47888","4","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C20 H16 N4 O4 Zn -","- C20 H16 N4 O4 Zn -","- C1920 H1536 N384 O384 Zn96 -","96","0.5","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0972","0.0627","","","0.1725","0.1867","","","","","","1.094","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507534","14.705","0.002","15.934","0.003","16.796","0.003","90","","90","","90","","3935.5","1.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N6 O6 Zn -","- C20 H17 N6 O6 Zn -","- C160 H136 N48 O48 Zn8 -","8","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0781","0.052","","","0.1365","0.1555","","","","","","1.02","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507535","7.7103","0.0006","17.4489","0.0013","18.0994","0.0013","85.999","0.001","89.112","0.001","83.65","0.001","2414.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H36 N12 O18 Zn2 -","- C50 H36 N12 O18 Zn2 -","- C100 H72 N24 O36 Zn4 -","2","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0407","0.0329","","","0.087","0.092","","","","","","1.028","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507536","14.9938","0.0019","12.6823","0.0016","8.2101","0.001","90","","91.66","0.002","90","","1560.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 Cd Cl2 N6 O4 -","- C34 H22 Cd Cl2 N6 O4 -","- C68 H44 Cd2 Cl4 N12 O8 -","2","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0452","0.0315","","","0.0754","0.0832","","","","","","1.02","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507537","30.741","0.003","15.1729","0.0016","20.697","0.002","90","","125.529","0.002","90","","7856.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H29 Cd N8 O13.5 -","- C34 H22 Cd N8 O13.5 -","- C272 H176 Cd8 N64 O108 -","8","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.1006","0.0704","","","0.1929","0.2285","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507538","23.192","0.013","9.862","0.006","17.081","0.009","90","","113.969","0.01","90","","3570","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cd N8 O12 -","- C34 H26 Cd N8 O12 -","- C136 H104 Cd4 N32 O48 -","4","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0525","0.0403","","","0.1003","0.1084","","","","","","1.05","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507539","10.0026","0.0008","12.8675","0.001","15.4829","0.0012","80.627","0.002","71.799","0.002","84.189","0.002","1865.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cd Cl2 N6 O15 -","- C34 H28 Cd Cl2 N6 O15 -","- C68 H56 Cd2 Cl4 N12 O30 -","2","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0544","0.0424","","","0.1113","0.1227","","","","","","1.058","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507540","9.7355","0.001","10.0002","0.001","26.295","0.003","90","","90","","90","","2560","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cd Cl2 N3 O13.5 -","- C17 H15 Cd Cl2 N3 O13.5 -","- C68 H60 Cd4 Cl8 N12 O54 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0783","0.0559","","","0.1394","0.1561","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507541","16.674","0.003","9.1071","0.0016","24.873","0.004","90","","108.219","0.004","90","","3587.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29.6 Cd N6 O11.8 S -","- C34 H24 Cd N6 O11.8 S -","- C136 H96 Cd4 N24 O47.2 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.1281","0.0644","","","0.1526","0.1872","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507542","8.8794","0.0017","10.993","0.002","12.0665","0.0017","90","","121.531","0.01","90","","1003.9","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H17 Cd N3 O6 -","- C21 H17 Cd N3 O6 -","- C42 H34 Cd2 N6 O12 -","2","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0264","0.0257","","","0.069","0.0696","","","","","","1.112","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507543","8.7188","0.0003","10.9954","0.0003","12.0144","0.0003","90","","121.556","0.002","90","","981.47","0.05","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H17 N3 O6 Zn -","- C21 H17 N3 O6 Zn -","- C42 H34 N6 O12 Zn2 -","2","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0264","0.0247","","","0.0731","0.0749","","","","","","1.122","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507544","8.9228","0.0019","10.996","0.002","12.0653","0.0018","90","","121.556","0.011","90","","1008.7","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H17 Hg N3 O6 -","- C21 H17 Hg N3 O6 -","- C42 H34 Hg2 N6 O12 -","2","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0542","0.0376","","","0.0782","0.0873","","","","","","1.094","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507545","10.4621","0.001","16.608","0.0015","13.9436","0.0013","90","","90","","90","","2422.8","0.4","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","1","","","- C24 H23 Cd N3 O7 -","- C24 H23 Cd N3 O7 -","- C96 H92 Cd4 N12 O28 -","4","0.5","","Husain, Ahmad; Ellwart, Mario; Bourne, Susan A.; Öhrström Lars; Oliver, Clive L.","Single-Crystal-to-Single-Crystal Transformation of a Novel 2-Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties","Crystal Growth & Design","2013","13","4","1526","","10.1021/cg301760a","","","0.71073","MoKα","","0.0615","0.0473","","","0.1185","0.1246","","","","","","1.14","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507546","16.811","0.003","13.891","0.003","20.743","0.004","90","","90","","90","","4843.9","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2","","","- C21 H16 Cd N2 O6 -","- C21 H16 Cd N2 O6 -","- C168 H128 Cd8 N16 O48 -","8","1","","Husain, Ahmad; Ellwart, Mario; Bourne, Susan A.; Öhrström Lars; Oliver, Clive L.","Single-Crystal-to-Single-Crystal Transformation of a Novel 2-Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties","Crystal Growth & Design","2013","13","4","1526","","10.1021/cg301760a","","","0.71073","MoKα","","0.0434","0.0297","","","0.0728","0.0792","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507547","10.3913","0.0008","16.7981","0.0013","13.8612","0.0011","90","","90","","90","","2419.5","0.3","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","3","","","- C21 H16 Cd N2 O6 -","- C21 H16 Cd N2 O6 -","- C84 H64 Cd4 N8 O24 -","4","0.5","","Husain, Ahmad; Ellwart, Mario; Bourne, Susan A.; Öhrström Lars; Oliver, Clive L.","Single-Crystal-to-Single-Crystal Transformation of a Novel 2-Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties","Crystal Growth & Design","2013","13","4","1526","","10.1021/cg301760a","","","0.71073","MoKα","","0.0657","0.0551","","","0.1421","0.1493","","","","","","1.101","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507548","10.6684","0.0002","11.1245","0.0001","51.3881","0.0007","90","","90","","90","","6098.77","0.15","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monoammonium glicyrrhizinate 4.0 propionic acid 3.0 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt water/propionic acid solvate","","- C54 H95 N O27 -","- C54 H95 N O27 -","- C216 H380 N4 O108 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0552","0.0548","","","0.1577","0.1583","","","","","","1.062","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507549","10.1563","0.0003","11.1999","0.0005","53.615","0.0015","90","","90","","90","","6098.7","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monopotassium glicyrrhizinate 5.66 acetic acid 2.02 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monopotassium salt water/acetic acid solvate","","- C53.27 H87.73 K O29.36 -","- C53.274 H85.548 K O29.363 -","- C213.096 H342.192 K4 O117.452 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0562","0.0556","","","0.1548","0.1557","","","","","","1.059","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507550","10.673","0.0002","11.1804","0.0002","51.5673","0.0012","90","","90","","90","","6153.4","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monocaesium glicyrrhizinate 3.79 propionic acid 3.21 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monocaesium salt water/acetic acid solvate","","- C53.38 H90.16 Cs O26.79 -","- C53.379 H89.758 Cs O26.793 -","- C213.516 H359.032 Cs4 O107.172 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.044","0.0432","","","0.118","0.1188","","","","","","1.114","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507551","9.855","0.0004","11.2823","0.0003","52.659","0.003","90","","90","","90","","5855","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diammonium glicyrrhizinate 3.0 DMF 2.0 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic diammonium salt water/DMF solvate","","- C51 H93 N5 O21 -","- C51 H92.68 N5 O21 -","- C204 H370.72 N20 O84 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0607","0.0595","","","0.1727","0.1743","","","","","","1.056","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507552","9.8405","0.0001","11.252","0.0001","52.2345","0.0002","90","","90","","90","","5783.68","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dipotassium glicyrrhizinate 3.0 DMF 2.0 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic dipotassium salt water/DMF solvate","","- C51 H85 K2 N3 O21 -","- C51 H84.618 K2 N3 O21 -","- C204 H338.472 K8 N12 O84 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0508","0.0503","","","0.1428","0.1434","","","","","","1.092","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507553","10.2854","0.0001","11.4845","0.0001","51.8388","0.0006","90","","90","","90","","6123.34","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dicaesium glicyrrhizinate 3.00 DMF 3.40 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic dicaesium salt water/DMF solvate","","- C51 H87.8 Cs2 N3 O22.4 -","- C51 H83 Cs2 N3 O22.421 -","- C204 H332 Cs8 N12 O89.684 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.049","0.0481","","","0.1329","0.134","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507554","5.807","0.002","13.549","0.008","14.28","0.006","90","","90","","90","","1123.5","0.9","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C56 H56 F8 -","8","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.0815","0.043","","","0.1003","0.1316","","","","","","1.113","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507555","8.74","0.03","5.781","0.014","10.63","0.03","90","","92.01","0.17","90","","537","3","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C28 H28 F4 -","4","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.1214","0.0747","","","0.1826","0.2191","","","","","","1.056","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507556","5.96","0.003","14.019","0.009","15.021","0.011","90","","90","","90","","1255.1","1.4","205","","205","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C56 H56 F8 -","8","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.71073","MoKα","K-L~3~","0.065","0.0477","","","0.1199","0.1348","","","","","","1.08","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507557","5.4526","0.0012","13.538","0.003","14.735","0.004","90","","90","","90","","1087.7","0.5","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C56 H56 F8 -","8","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.1033","0.0558","","","0.1209","0.1549","","","","","","1.093","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507558","7.223","0.009","7.623","0.01","12.098","0.016","90","","105.67","0.03","90","","641.4","1.4","179","","179","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C28 H28 F4 -","4","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.71073","MoKα","K-L~3~","0.0551","0.0489","","","0.1437","0.152","","","","","","1.121","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507559","13.215","0.004","4.7872","0.0008","8.9622","0.0019","90","","90","","90","","567","0.2","293.15","","293.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","4-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C28 H28 F4 -","4","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.0923","0.0499","","","0.1296","0.1692","","","","","","1.05","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507560","7.452","0.006","5.987","0.006","14.693","0.017","90","","104","0.03","90","","636.1","1.1","217","","217","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C28 H28 F4 -","4","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.71073","MoKα","K-L~3~","0.0753","0.0474","","","0.1203","0.1384","","","","","","1.031","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507561","9.0696","0.0012","10.2211","0.0016","9.1028","0.0012","90","","90","","90","","843.8","0.2","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Al10 Mn0.42 Ru1.58 Yb -","- Al10 Mn0.418 Ru1.582 Yb -","- Al40 Mn1.672 Ru6.328 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0423","0.0303","","","0.0469","0.0496","","","","","","1.11","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507562","9.071","0.002","10.225","0.003","9.102","0.002","90","","90","","90","","844.2","0.4","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Al10 Mn0.44 Ru1.56 Yb -","- Al10 Mn0.442 Ru1.558 Yb -","- Al40 Mn1.768 Ru6.232 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0303","0.0253","","","0.0486","0.0512","","","","","","1.131","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507563","8.9852","0.001","10.204","0.0012","9.0288","0.001","90","","90","","90","","827.81","0.16","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Al10 Fe1.18 Mn0.82 Yb -","- Al10 Fe1.18 Mn0.82 Yb -","- Al40 Fe4.72 Mn3.28 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0277","0.0255","","","0.0632","0.064","","","","","","1.103","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507564","12.761","0.002","12.761","0.002","5.1194","0.0015","90","","90","","90","","833.7","0.3","298","2","298","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Al9.85 Mn1.95 Ru0.21 Yb -","- Al9.846 Mn1.946 Ru0.208 Yb -","- Al39.384 Mn7.784 Ru0.832 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0621","0.0283","","","0.0531","0.0621","","","","","","1.019","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507565","12.732","0.001","12.732","0.001","5.1123","0.0005","90","","90","","90","","828.72","0.12","298","2","298","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Al9.69 Fe0.32 Mn1.99 Yb -","- Al9.672 Fe0.274 Mn2.054 Yb -","- Al38.688 Fe1.096 Mn8.216 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0355","0.026","","","0.0664","0.073","","","","","","1.044","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507566","8.968","0.002","8.968","0.002","5.105","0.002","90","","90","","90","","410.6","0.2","298","2","298","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al9.51 Fe0.28 Mn2.21 Yb -","- Al9.52 Fe0.28 Mn2.212 Yb -","- Al19.04 Fe0.56 Mn4.424 Yb2 -","2","0.0625","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0192","0.0177","","","0.0357","0.0361","","","","","","1.095","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507567","12.6069","0.0017","13.6925","0.0018","14.595","0.002","90","","110.973","0.003","90","","2352.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C88 H96 N32 O32 -","8","2","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.1303","0.0856","","","0.1405","0.1556","","","","","","1.142","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507568","7.4285","0.0006","22.0769","0.0018","10.9219","0.001","90","","101.461","0.009","90","","1755.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N7 O6 -","- C15 H19 N7 O6 -","- C60 H76 N28 O24 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.7107","MoKα","","0.1441","0.0517","","","0.0664","0.0812","","","","","","0.851","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507569","5.3525","0.0005","17.8159","0.0012","11.0537","0.001","90","","99.057","0.008","90","","1040.93","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O6 S -","- C8 H11 N O6 S -","- C32 H44 N4 O24 S4 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.7107","MoKα","","0.0707","0.0426","","","0.0982","0.1071","","","","","","0.968","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507570","6.75","0.002","7.06","0.002","14.809","0.004","95.977","0.004","97.899","0.005","104.722","0.004","668.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C26 H30 N6 O10 -","2","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.0809","0.04","","","0.0967","0.111","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507571","8.79","0.004","14.615","0.007","6.955","0.003","90","","97.799","0.008","90","","885.2","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N Na O5 -","- C7 H10 N Na O5 -","- C28 H40 N4 Na4 O20 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.0495","0.0434","","","0.1015","0.1048","","","","","","1.103","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507572","15.794","0.0016","19.897","0.002","5.5179","0.0006","90","","90","","90","","1734","0.3","298","2","298","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C14 H16 N2 O10 S -","- C14 H16 N2 O10 S -","- C56 H64 N8 O40 S4 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.0468","0.0443","","","0.111","0.1123","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507573","3.7161","0.0004","7.3629","0.0009","23.307","0.003","90","","91.889","0.002","90","","637.36","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.0759","0.0589","","","0.1365","0.1456","","","","","","1.081","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507574","5.1586","0.0006","8.9072","0.0009","20.768","0.002","86.317","0.007","86.355","0.007","73.313","0.007","911.17","0.17","120","2","120","2","","","","","","","","6","P 1","P 1","1","","(4S)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1- benzoxazin-2-one 1,2-bis(4-pyridyl)ethene cocrystal","","- C40 H28 Cl2 F6 N4 O4 -","- C39.99 H28 Cl2 F6 N4 O4 -","- C39.99 H28 Cl2 F6 N4 O4 -","1","1","","de Melo, Ariane Carla Campos; de Amorim, Isadora Ferreira; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Toward Novel Solid-State Forms of the Anti-HIV Drug Efavirenz: From Low Screening Success to Cocrystals Engineering Strategies and Discovery of a New Polymorph","Crystal Growth & Design","2013","13","4","1558","","10.1021/cg3018002","","","0.71073","MoKα","","0.0905","0.078","","","0.1984","0.2095","","","","","","1.026","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507575","5.3101","0.0004","8.6465","0.0005","20.705","0.0014","84.956","0.004","85.946","0.004","74.581","0.004","911.77","0.11","120","2","120","2","","","","","","","","6","P 1","P 1","1","","(4S)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1- benzoxazin-2-one 1,2-bis(4-pyridyl)ethane cocrystal","","- C40 H30 Cl2 F6 N4 O4 -","- C40 H30 Cl2 F6 N4 O4 -","- C40 H30 Cl2 F6 N4 O4 -","1","1","","de Melo, Ariane Carla Campos; de Amorim, Isadora Ferreira; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Toward Novel Solid-State Forms of the Anti-HIV Drug Efavirenz: From Low Screening Success to Cocrystals Engineering Strategies and Discovery of a New Polymorph","Crystal Growth & Design","2013","13","4","1558","","10.1021/cg3018002","","","0.71073","MoKα","","0.0426","0.0379","","","0.0924","0.0963","","","","","","1.023","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507576","16.656","0.007","5.312","0.002","17.227","0.007","90","","113.59","0.03","90","","1396.8","1","300","2","300","2","","","","","","","","6","C 1 2 1","C 2y","5","","(4S)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1- benzoxazin-2-one","","- C14 H9 Cl F3 N O2 -","- C14 H9 Cl F3 N O2 -","- C56 H36 Cl4 F12 N4 O8 -","4","1","","de Melo, Ariane Carla Campos; de Amorim, Isadora Ferreira; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Toward Novel Solid-State Forms of the Anti-HIV Drug Efavirenz: From Low Screening Success to Cocrystals Engineering Strategies and Discovery of a New Polymorph","Crystal Growth & Design","2013","13","4","1558","","10.1021/cg3018002","","","0.71073","MoKα","","0.0854","0.0418","","","0.087","0.106","","","","","","1.024","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507577","7.464","0.002","25.721","0.007","9.446","0.003","90","","90","","90","","1813.5","0.9","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl La N O5 -","- C17 H15 Cl La N O5 -","- C68 H60 Cl4 La4 N4 O20 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0426","0.0349","","","0.0855","0.0894","","","","","","1.098","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507578","7.4355","0.0012","25.881","0.004","9.5099","0.0015","90","","90","","90","","1830.1","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Ce Cl N O5 -","- C17 H15 Ce Cl N O5 -","- C68 H60 Ce4 Cl4 N4 O20 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0337","0.0319","","","0.0734","0.0744","","","","","","1.121","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507579","7.3702","0.0009","25.843","0.003","9.4821","0.0012","90","","90","","90","","1806","0.4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl N O5 Pr -","- C17 H15 Cl N O5 Pr -","- C68 H60 Cl4 N4 O20 Pr4 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0395","0.0314","","","0.0699","0.0729","","","","","","1.073","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507580","7.3481","0.0008","25.927","0.003","9.5122","0.001","90","","90","","90","","1812.2","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl N Nd O5 -","- C17 H15 Cl N Nd O5 -","- C68 H60 Cl4 N4 Nd4 O20 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0337","0.0302","","","0.069","0.0704","","","","","","1.138","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507581","7.2822","0.0014","25.977","0.005","9.5234","0.0019","90","","90","","90","","1801.5","0.6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl N O5 Sm -","- C17 H15 Cl N O5 Sm -","- C68 H60 Cl4 N4 O20 Sm4 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.066","0.0508","","","0.1208","0.1321","","","","","","1.104","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507582","12.284","0.003","8.198","0.002","15.484","0.004","90","","96.174","0.004","90","","1550.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,6-dichlorophenylamine)phenylacetoxyacetic acid","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C64 H52 Cl8 N4 O16 -","4","1","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0756","0.0535","","","0.1185","0.1288","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507583","11.296","0.001","8.7429","0.0008","20.8507","0.0019","90","","98.012","0.001","90","","2039.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aceclofenac-cytosine","","- C20 H18 Cl2 N4 O5 -","- C20 H18 Cl2 N4 O5 -","- C80 H72 Cl8 N16 O20 -","4","1","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0389","0.0361","","","0.0861","0.088","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507584","9.1898","0.0011","5.5983","0.0007","34.89","0.004","90","","94.038","0.002","90","","1790.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aceclofenac-piperazine(0.5)","","- C18 H18 Cl2 N2 O4 -","- C18 H18 Cl2 N2 O4 -","- C72 H72 Cl8 N8 O16 -","4","1","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0573","0.0499","","","0.1079","0.1112","","","","","","1.13","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507585","7.5085","0.0005","11.9908","0.0008","22.2488","0.0015","90","","91.569","0.001","90","","2002.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl4 N4 O9 -","- C42 H36 Cl4 N4 O9 -","- C84 H72 Cl8 N8 O18 -","2","0.5","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0307","0.0293","","","0.0759","0.077","","","","","","1.056","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507586","10.3411","0.0013","14.521","0.002","10.5314","0.0014","90","","100.291","0.004","90","","1556","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","olanzapine","","","- C17 H20 N4 S -","- C17 H20 N4 S -","- C68 H80 N16 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0424","0.0334","","","0.0811","0.0867","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507587","9.8544","0.0014","16.314","0.002","9.9754","0.0012","90","","98.304","0.008","90","","1586.9","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","olanzapine","","","- C17 H20 N4 S -","- C17 H20 N4 S -","- C68 H80 N16 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.1119","0.0542","","","0.1197","0.1424","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507588","10.442","0.001","17.7328","0.0015","15.5165","0.0013","90","","126.279","0.005","90","","2316.2","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine 2-butoxyethanol","","","- C23 H34 N4 O2 S -","- C23 H34 N4 O2 S -","- C92 H136 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0659","0.0389","","","0.0856","0.0989","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507589","12.7244","0.0009","11.7538","0.0008","16.0067","0.0011","90","","94.782","0.002","90","","2385.6","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","olanzapine 2,2,2-trifluoroethanol","","","- C21 H26 F6 N4 O2 S -","- C21 H26 F6 N4 O2 S -","- C84 H104 F24 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0976","0.0579","","","0.1358","0.1557","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507590","10.0427","0.0011","12.743","0.0013","14.3886","0.0015","90","","92.436","0.004","90","","1839.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine acetic acid","","","- C19 H24 N4 O2 S -","- C19 H24 N4 O2 S -","- C76 H96 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0356","0.0305","","","0.0893","0.0995","","","","","","1.141","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507591","9.8393","0.0016","13.278","0.002","14.588","0.002","90","","96.328","0.007","90","","1894.3","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine ethyleneglycol","","","- C19 H26 N4 O2 S -","- C19 H26 N4 O2 S -","- C76 H104 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.1061","0.0638","","","0.1485","0.1704","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507592","10.3489","0.0018","13.003","0.002","13.87","0.002","90","","92.496","0.006","90","","1864.7","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine ethanol","","","- C19 H26 N4 O S -","- C19 H26 N4 O S -","- C76 H104 N16 O4 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0776","0.0414","","","0.0828","0.0944","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507593","14.207","0.0001","12.2211","0.0009","14.55","0.001","90","","109.239","0.003","90","","2385.2","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine TBMe hydrate","","","- C22 H36 N4 O3 S -","- C22 H36 N4 O3 S -","- C88 H144 N16 O12 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0647","0.0493","","","0.1304","0.1425","","","","","","1.024","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4507594","13.4466","0.001","12.3833","0.0009","14.5522","0.0009","90","","104.839","0.002","90","","2342.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine-2-pentanol hydrate","","","- C22 H34 N4 O2 S -","- C22 H34 N4 O2 S -","- C88 H136 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0553","0.044","","","0.1172","0.1259","","","","","","1.035","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507595","14.817","0.001","12.623","0.001","14.461","0.001","90","","113.36","0.02","90","","2483","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine N,N,N-triethylamine hydrate","","","- C20 H31.5 N4.5 O2 S -","- C20 H31.5 N4.5 O2 S -","- C80 H126 N18 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.132","0.0924","","","0.2892","0.3308","","","","","","1.277","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507596","14.2491","0.0009","12.3838","0.0008","27.1418","0.0017","90","","99.052","0.002","90","","4729.7","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine t-butanol hydrate","","","- C21 H35 N4 O3.5 S -","- C21 H35 N4 O3.5 S -","- C168 H280 N32 O28 S8 -","8","2","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0672","0.0467","","","0.1274","0.1422","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507597","12.342","0.0017","13.3559","0.0018","14.63","0.002","105.883","0.006","90.29","0.006","92.005","0.006","2317.8","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","olanzapine 3-methyl 1-butanol hydrate","","","- C22 H34 N4 O2 S -","- C22 H34 N4 O2 S -","- C88 H136 N16 O8 S4 -","4","2","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0936","0.0822","","","0.2274","0.2397","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507598","12.2637","0.0011","14.1146","0.001","14.1783","0.0012","63.985","0.003","65.649","0.004","65.437","0.004","1924.9","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","olanzapine 1.4-butanediol hydrate","","","- C38 H54 N8 O4 S2 -","- C38 H54 N8 O4 S2 -","- C76 H108 N16 O8 S4 -","2","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0452","0.0347","","","0.0859","0.092","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507599","14.9885","0.0009","12.7558","0.0007","19.8567","0.0012","90","","93.348","0.002","90","","3789.9","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine N,N dimethylforamide hydrate","","","- C37 H51 N9 O3 S2 -","- C37 H51 N9 O3 S2 -","- C148 H204 N36 O12 S8 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0674","0.04","","","0.097","0.1137","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507600","14.8824","0.0007","12.7289","0.0007","20.3218","0.0011","90","","93.465","0.002","90","","3842.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine pyridine hydrate","","","- C39 H49 N9 O2 S2 -","- C39 H49 N9 O2 S2 -","- C156 H196 N36 O8 S8 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0519","0.0345","","","0.0851","0.0957","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507601","24.2355","0.001","12.5913","0.0005","15.0767","0.0006","90","","124.999","0.001","90","","3768.8","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzpaine tetrahydrofuran hydrate","","","- C19 H26 N4 O1.5 S -","- C19 H26 N4 O1.5 S -","- C152 H208 N32 O12 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0484","0.042","","","0.1083","0.1146","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507602","24.447","0.003","12.566","0.0016","14.9591","0.0019","90","","125.421","0.005","90","","3744.9","0.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1,4-dioxan hydrate","","","- C19 H24 N4 O2 S -","- C19 H24 N4 O2 S -","- C152 H192 N32 O16 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.1131","0.0808","","","0.2103","0.2372","","","","","","1.026","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507603","24.226","0.002","12.5269","0.0012","15.0737","0.0015","90","","124.976","0.004","90","","3748.3","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine acetone hydrate","","","- C18.5 H25 N4 O1.5 S -","- C18.5 H25 N4 O1.5 S -","- C148 H200 N32 O12 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.097","0.0463","","","0.0985","0.1183","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507604","24.575","0.006","12.429","0.003","15.006","0.003","90","","125.255","0.007","90","","3742.8","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1-butanol hydrate","","","- C19 H27 N4 O1.5 S -","- C17 H22 N4 O S -","- C136 H176 N32 O8 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.051","0.0465","","","0.1168","0.1212","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507605","24.381","0.002","12.3856","0.0009","15.0565","0.0014","90","","125.321","0.007","90","","3709.7","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine acetonitrile hydrate","","","- C19 H22 N5 O S -","- C18.825 H22 N4.675 O S -","- C150.6 H176 N37.4 O8 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0673","0.0575","","","0.1793","0.1951","","","","","","1.144","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507606","24.352","0.003","12.3706","0.0013","15.0182","0.0018","90","","125.531","0.005","90","","3681.8","0.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine nitromethane hydrate","","","- C17 H22 N4 O S -","- C17 H22 N4 O S -","- C136 H176 N32 O8 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0366","0.0325","","","0.0983","0.101","","","","","","1.117","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507607","24.4675","0.0013","12.2298","0.0008","15.1073","0.0008","90","","125.675","0.002","90","","3672.3","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1,2-dimethoxyethane hydrate","","","- C19 H27 N4 O2 S -","- C17 H22 N4 O S -","- C136 H176 N32 O8 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0899","0.053","","","0.1235","0.1334","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507608","25.0869","0.0008","12.3821","0.0004","15.1983","0.0005","90","","126.872","0.001","90","","3776.7","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 2-methoxyethanol hydrate","","","- C18.5 H26 N4 O2 S -","- C18.5 H26 N4 O2 S -","- C148 H208 N32 O16 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0802","0.0682","","","0.179","0.1905","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507609","24.899","0.004","12.5316","0.0019","15.243","0.002","90","","126.99","0.005","90","","3799","1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine methylacetate hydrate","","","- C18.5 H25 N4 O2 S -","- C18.5 H25 N4 O2 S -","- C148 H200 N32 O16 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0553","0.0448","","","0.1161","0.1245","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507610","24.704","0.002","12.1883","0.001","15.1242","0.0012","90","","125.206","0.003","90","","3720.9","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1,2 propanediol hydrate","","","- C18.5 H23 N4 O2.25 S -","- C18.5 H23 N4 O2.25 S -","- C148 H184 N32 O18 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0692","0.0532","","","0.1404","0.1541","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507611","24.4748","0.0013","12.3515","0.0006","15.1109","0.0008","90","","125.649","0.001","90","","3712","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1-propanol hydrate","","","- C18.5 H26 N4 O1.5 S -","- C18.5 H26 N4 O1.5 S -","- C148 H208 N32 O12 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.039","0.0336","","","0.0872","0.0908","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507612","24.94","0.006","12.156","0.003","14.867","0.003","90","","124.928","0.006","90","","3695.4","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine higher hydrate","","","- C17 H25 N4 O2.5 S -","- C17 H25 N4 O2.5 S -","- C136 H200 N32 O20 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.1009","0.0695","","","0.1864","0.2102","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507613","10.1493","0.0009","12.2895","0.001","14.0944","0.0013","90","","91.905","0.005","90","","1757","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine methanol","","","- C18 H24 N4 O S -","- C18 H24 N4 O S -","- C72 H96 N16 O4 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0669","0.0392","","","0.0874","0.1002","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507614","9.846","0.002","12.672","0.003","14.384","0.003","90","","92.724","0.009","90","","1792.6","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine dihydrate","","","- C17 H24 N4 O2 S -","- C17 H24 N4 O2 S -","- C68 H96 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0561","0.0385","","","0.0904","0.0981","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507615","9.6671","0.0015","11.507","0.0017","16.697","0.002","103.991","0.006","96.989","0.006","99.825","0.006","1749.9","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","olanzapine dichloromethane","","","- C35 H42 Cl2 N8 S2 -","- C35 H42 Cl2 N8 S2 -","- C70 H84 Cl4 N16 S4 -","2","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0311","0.0275","","","0.0696","0.0726","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507616","6.3725","0.0004","7.7363","0.0005","12.7332","0.001","74.359","0.006","83.755","0.006","83.938","0.005","599","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N Ni O6 -","- C13 H7 N Ni O6 -","- C26 H14 N2 Ni2 O12 -","2","1","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0438","0.0367","","","0.1083","0.1122","","","","","","1.248","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507617","10.7647","0.0002","10.7647","0.0002","26.7578","0.001","90","","90","","120","","2685.25","0.12","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C29 H27 N3 Ni2 O12.5 -","- C26 H14 N2 Ni2 O11 -","- C78 H42 N6 Ni6 O33 -","3","0.5","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0287","0.0275","","","0.0757","0.0763","","","","","","1.069","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507618","11.0778","0.0003","11.0778","0.0003","27.8793","0.0015","90","","90","","120","","2962.9","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C29 H27 Co2 N3 O12.5 -","- C26 H14 Co2 N2 O11 -","- C78 H42 Co6 N6 O33 -","3","0.5","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0618","0.0495","","","0.1406","0.1485","","","","","","1.088","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507619","9.7011","0.0005","9.7984","0.0005","14.9629","0.0007","89.705","0.004","79.165","0.004","68.68","0.005","1298.24","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H41 N4 Ni3 O22 -","- C52 H28 N4 Ni3 O22 -","- C52 H28 N4 Ni3 O22 -","1","0.5","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0703","0.0646","","","0.1921","0.1993","","","","","","1.07","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507620","13.9345","0.0004","6.8516","0.0002","25.1563","0.0005","90","","133.798","0.001","90","","1733.56","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3- quinolonecarboxylic acid","","- C19 H22 F N3 O3 -","- C19 H22 F N3 O3 -","- C76 H88 F4 N12 O12 -","4","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.0353","0.0324","","","0.0912","0.0935","","","","","","1.064","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507621","8.037","0.003","11.03","0.008","13.186","0.008","79.17","0.005","78.873","0.01","88.102","0.01","1126.5","1.1","298","","298","","","","","","","","","5","P -1","-P 1","2","","1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3- quinolonecarboxylic acid hexahydrate","","- C19 H34 F N3 O9 -","- C19 H34 F N3 O9 -","- C38 H68 F2 N6 O18 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.1582","0.0777","","","0.2027","0.2523","","","","","","1.044","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507622","7.2779","0.0004","12.2704","0.0008","14.5883","0.0009","95.722","0.004","99.508","0.004","102.931","0.004","1239.57","0.13","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 F N3 O8 -","- C23 H32 F N3 O8 -","- C46 H64 F2 N6 O16 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.103","0.0581","","","0.1506","0.1853","","","","","","0.995","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507623","7.0956","0.0007","12.4527","0.0012","13.072","0.0015","87.337","0.007","75.913","0.007","84.671","0.007","1115.1","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 F N3 O7 -","- C23 H26 F N3 O7 -","- C46 H52 F2 N6 O14 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","x-ray","0.71073","MoKα","","0.1892","0.068","","","0.136","0.1918","","","","","","0.935","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507624","7.0198","0.001","9.3767","0.0019","17.249","0.004","85.137","0.003","83.594","0.003","73.497","0.004","1080.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H29 F N3 O8 -","- C20 H29 F N3 O8 -","- C40 H58 F2 N6 O16 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.0701","0.0472","","","0.1095","0.1223","","","","","","1.028","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507625","7.0383","0.0019","13.397","0.004","13.513","0.004","119.633","0.008","90.036","0.009","101.663","0.01","1077.1","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 F N3 O7 -","- C23 H28 F N3 O7 -","- C46 H56 F2 N6 O14 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.1525","0.0776","","","0.1819","0.2226","","","","","","0.948","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507626","8.7779","0.0003","9.8015","0.0004","12.8782","0.0004","106.472","0.002","90.408","0.002","91.071","0.002","1062.25","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H31 F N4 O6 -","- C19 H31 F N4 O6 -","- C38 H62 F2 N8 O12 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.0595","0.0379","","","0.0949","0.1147","","","","","","1.088","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507627","6.9067","0.0007","13.4563","0.0014","13.6479","0.0013","119.469","0.004","100.139","0.005","92.049","0.006","1075.93","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 F N3 O7 -","- C23 H26 F N3 O7 -","- C46 H52 F2 N6 O14 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.0522","0.0389","","","0.0935","0.1009","","","","","","1.03","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507628","28.378","0.009","15.978","0.005","21.376","0.012","90","","123.391","0.014","90","","8093","6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C92 H92 N8 O16 -","- C92 H92 N8 O16 -","- C368 H368 N32 O64 -","4","0.5","","Lee, Eunji; Ju, Huiyeong; Lee, Shim Sung; Park, Ki-Min","Tubular Arrangement of 1,3-Alternate Calix[4]arene with Bipyridines: A Platform for [2 + 2] Photocyclization","Crystal Growth & Design","2013","13","3","992","","10.1021/cg301854f","","","0.71073","MoKα","","0.095","0.0538","","","0.1417","0.169","","","","","","1.064","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507629","25.6177","0.0008","15.9531","0.0006","21.9422","0.0007","90","","107.82","0.002","90","","8537.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H96 N8 O16 -","- C96 H96 N8 O16 -","- C384 H384 N32 O64 -","4","1","","Lee, Eunji; Ju, Huiyeong; Lee, Shim Sung; Park, Ki-Min","Tubular Arrangement of 1,3-Alternate Calix[4]arene with Bipyridines: A Platform for [2 + 2] Photocyclization","Crystal Growth & Design","2013","13","3","992","","10.1021/cg301854f","","","0.71073","MoKα","","0.1451","0.0838","","","0.1923","0.2249","","","","","","1.027","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507630","9.6478","0.001","12.1746","0.0013","12.1908","0.0013","110.261","0.001","99.484","0.001","103.182","0.001","1260.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N12 O14 Zn2 -","- C48 H38 N12 O14 Zn2 -","- C48 H38 N12 O14 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Li, Ming-Xing; Morris, Russell E.","Tuning Different Kinds of Entangled Networks Formed by Isomers of Bis(1,2,4-triazol-1-ylmethyl)benzene and a Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","4","1649","","10.1021/cg3018562","","","0.71073","MoKα","","0.0612","0.0537","","","0.156","0.1645","","","","","","1.005","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507631","9.611","0.008","12.083","0.008","12.148","0.008","64.229","0.007","75.943","0.007","77.59","0.008","1222.7","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N12 O14 Zn2 -","- C48 H38 N12 O14 Zn2 -","- C48 H38 N12 O14 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Li, Ming-Xing; Morris, Russell E.","Tuning Different Kinds of Entangled Networks Formed by Isomers of Bis(1,2,4-triazol-1-ylmethyl)benzene and a Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","4","1649","","10.1021/cg3018562","","","0.71073","MoKα","","0.1291","0.0726","","","0.1868","0.2176","","","","","","0.959","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507632","9.504","0.003","11.959","0.004","11.974","0.004","115.662","0.004","90.21","0.005","102.43","0.004","1190.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 N12 O10 Zn2 -","- C48 H38 N12 O10 Zn2 -","- C48 H38 N12 O10 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Li, Ming-Xing; Morris, Russell E.","Tuning Different Kinds of Entangled Networks Formed by Isomers of Bis(1,2,4-triazol-1-ylmethyl)benzene and a Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","4","1649","","10.1021/cg3018562","","","0.71073","MoKα","","0.082","0.0604","","","0.1602","0.1742","","","","","","1.064","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507633","29.814","0.002","13.0074","0.0009","19.1298","0.0012","90","","90","","90","","7418.6","0.9","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C41 H34 Cd N4 O7 -","- C41 H34 Cd N4 O7 -","- C328 H272 Cd8 N32 O56 -","8","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0672","0.0447","","","0.1267","0.1341","","","","","","0.975","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507634","30.546","0.002","12.7113","0.0008","17.9776","0.0012","90","","90","","90","","6980.3","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C41 H32 N4 O6 Zn -","- C41 H32 N4 O6 Zn -","- C328 H256 N32 O48 Zn8 -","8","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0737","0.0494","","","0.1354","0.1538","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507635","13.5383","0.001","18.7314","0.0014","26.43","0.0019","90","","90","","90","","6702.4","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H31 N5 O6 Zn -","- C37 H31 N5 O6 Zn -","- C296 H248 N40 O48 Zn8 -","8","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0762","0.0619","","","0.1896","0.1997","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507636","10.5949","0.0006","31.6554","0.0018","10.9487","0.0006","90","","106.847","0.001","90","","3514.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 Co N4 O6 -","- C41 H32 Co N4 O6 -","- C164 H128 Co4 N16 O24 -","4","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0515","0.0386","","","0.0991","0.1111","","","","","","1.052","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507637","17.5542","0.001","9.9228","0.0006","23.9223","0.0014","90","","91.92","0.001","90","","4164.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 Co N4 O5 -","- C41 H30 Co N4 O5 -","- C164 H120 Co4 N16 O20 -","4","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0541","0.0433","","","0.1399","0.1512","","","","","","1.087","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507638","11.4122","0.0016","11.4772","0.0016","13.373","0.0018","87.134","0.002","88.585","0.002","85.892","0.002","1744.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H28 Co N4 O4 -","- C41 H28 Co N4 O4 -","- C82 H56 Co2 N8 O8 -","2","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0799","0.0703","","","0.1946","0.1974","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507639","10.877","0.005","13.682","0.005","16.048","0.006","79.096","0.005","74.69","0.005","85.081","0.006","2260.3","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H68 N10 O13 Sn2 -","- C32 H54 N10 O13 Sn2 -","- C64 H108 N20 O26 Sn4 -","2","1","","Chandrasekhar, Vadapalli; Kundu, Subrata; Kumar, Jitendra; Verma, Sandeep; Gopal, Kandasamy; Chaturbedi, Amaresh; Subramaniam, Kuppuswamy","Supramolecular Signatures of Adenine-Containing Organostannoxane Assemblies","Crystal Growth & Design","2013","13","4","1665","","10.1021/cg3018776","","","0.71069","MoKα","","0.0753","0.0571","","","0.1501","0.1818","","","","","","1.108","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507640","13.88","0.005","30.531","0.006","16.747","0.005","90","","101.941","0.005","90","","6943","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H107 N15 O7 Sn3 -","- C60 H107 N15 O7 Sn3 -","- C240 H428 N60 O28 Sn12 -","4","1","","Chandrasekhar, Vadapalli; Kundu, Subrata; Kumar, Jitendra; Verma, Sandeep; Gopal, Kandasamy; Chaturbedi, Amaresh; Subramaniam, Kuppuswamy","Supramolecular Signatures of Adenine-Containing Organostannoxane Assemblies","Crystal Growth & Design","2013","13","4","1665","","10.1021/cg3018776","","","0.71069","MoKα","","0.0873","0.0556","","","0.1238","0.1424","","","","","","1.014","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507641","10.903","0.005","11.744","0.005","12.783","0.006","104.306","0.006","102.13","0.005","101.758","0.005","1493.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H90 N10 O8 Sn4 -","- C48 H90 N10 O8 Sn4 -","- C48 H90 N10 O8 Sn4 -","1","0.5","","Chandrasekhar, Vadapalli; Kundu, Subrata; Kumar, Jitendra; Verma, Sandeep; Gopal, Kandasamy; Chaturbedi, Amaresh; Subramaniam, Kuppuswamy","Supramolecular Signatures of Adenine-Containing Organostannoxane Assemblies","Crystal Growth & Design","2013","13","4","1665","","10.1021/cg3018776","","","0.71073","MoKα","","0.0755","0.0636","","","0.1723","0.1858","","","","","","1.047","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507642","11.648","0.005","12.78","0.005","14.126","0.005","73.159","0.005","69.017","0.005","78.508","0.005","1868.4","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 N20 O10 Sn4 -","- C64 H104 N20 O10 Sn4 -","- C64 H104 N20 O10 Sn4 -","1","0.5","","Chandrasekhar, Vadapalli; Kundu, Subrata; Kumar, Jitendra; Verma, Sandeep; Gopal, Kandasamy; Chaturbedi, Amaresh; Subramaniam, Kuppuswamy","Supramolecular Signatures of Adenine-Containing Organostannoxane Assemblies","Crystal Growth & Design","2013","13","4","1665","","10.1021/cg3018776","","","0.71069","MoKα","","0.0334","0.0288","","","0.0766","0.0801","","","","","","1.061","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507643","8.5206","0.0003","7.8048","0.0003","18.6978","0.0005","90","","90.034","0.003","90","","1243.43","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N2 S -","- C4 H10 N2 S -","- C32 H80 N16 S8 -","8","2","","Näther, Christian; Jess, Inke; Jones, Peter G.; Taouss, Christina; Teschmit, Nicole","Structural, Thermodynamic, and Kinetic Aspects of the Polymorphism of Trimethylthiourea: The Influence of Kinetics on the Transformations between Polymorphs","Crystal Growth & Design","2013","13","4","1676","","10.1021/cg400005d","","","0.71073","MoKα","","0.0306","0.0253","","","0.0608","0.0632","","","","","","1.06","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507644","4.9388","0.0002","11.653","0.0004","11.0955","0.0005","90","","101.202","0.004","90","","626.4","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 N2 S -","- C4 H10 N2 S -","- C16 H40 N8 S4 -","4","1","","Näther, Christian; Jess, Inke; Jones, Peter G.; Taouss, Christina; Teschmit, Nicole","Structural, Thermodynamic, and Kinetic Aspects of the Polymorphism of Trimethylthiourea: The Influence of Kinetics on the Transformations between Polymorphs","Crystal Growth & Design","2013","13","4","1676","","10.1021/cg400005d","","","0.71073","MoKα","","0.0309","0.0249","","","0.0589","0.0616","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507645","9.7664","0.0006","10.2018","0.0006","14.8809","0.0012","88.89","0.002","83.534","0.002","80.719","0.003","1453.94","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H52 N10 O12 Sn -","- C64 H52 N10 O12 Sn -","- C64 H52 N10 O12 Sn -","1","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.0783","0.0737","","","0.1819","0.1863","","","","","","1.045","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507646","9.755","0.0002","11.6924","0.0003","14.915","0.0004","102.883","0.0011","94.2657","0.0012","91.9333","0.0016","1651.56","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 N8 O16 S4 Sn -","- C66 H58 N8 O16 S4 Sn -","- C66 H58 N8 O16 S4 Sn -","1","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.0787","0.0561","","","0.1188","0.1299","","","","","","1.029","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507647","8.9854","0.0003","11.4407","0.0003","14.6941","0.0004","91.122","0.001","93.739","0.001","95.604","0.001","1499.61","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H36 N10 O8 Sn -","- C56 H36 N10 O8 Sn -","- C56 H36 N10 O8 Sn -","1","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.0297","0.0289","","","0.0763","0.0769","","","","","","1.042","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507648","9.4016","0.0002","30.7877","0.0008","11.8342","0.0003","90","","90.9904","0.0018","90","","3424.94","0.14","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H48 N8 O13 Sn -","- C58 H48 N8 O13 Sn -","- C116 H96 N16 O26 Sn2 -","2","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.1192","0.0704","","","0.1483","0.1651","","","","","","0.937","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507649","25.487","0.0012","12.271","0.0007","21.9787","0.0018","90","","120.463","0.001","90","","5925","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H32 Br2 N8 O8 Sn -","- C56 H32 Br2 N8 O8 Sn -","- C224 H128 Br8 N32 O32 Sn4 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.0972","0.0597","","","0.1669","0.1799","","","","","","1.032","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507650","46.414","0.016","5.908","0.002","33.32","0.009","90","","128.581","0.016","90","","7142","4","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 Cd3 N2 O23 -","- C50 H50 Cd3 N2 O23 -","- C200 H200 Cd12 N8 O92 -","4","0.5","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.0908","0.0553","","","0.0961","0.1011","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507651","17.278","0.003","11.0227","0.0018","18.58","0.003","90","","116.817","0.002","90","","3158","0.9","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Cd3 N8 O22 -","- C62 H50 Cd3 N8 O22 -","- C124 H100 Cd6 N16 O44 -","2","0.5","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.0499","0.0418","","","0.0875","0.0896","","","","","","1.059","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507652","36.68","0.015","5.819","0.002","33.079","0.014","90","","90","","90","","7060","5","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C67 H70 Cd3 N6 O23 -","- C67 H70 Cd3 N6 O23 -","- C268 H280 Cd12 N24 O92 -","4","1","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.049","0.0429","","","0.104","0.1066","","","","","","1.017","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507653","16.488","0.003","9.4509","0.0015","27.363","0.004","90","","102.758","0.003","90","","4158.6","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 Mn3 O20 -","- C42 H30 Mn3 O20 -","- C168 H120 Mn12 O80 -","4","0.5","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.0582","0.0448","","","0.1007","0.1051","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507654","27.43","0.004","21.601","0.003","9.3796","0.0012","90","","106.412","0.002","90","","5331.1","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 Mn3 N2 O20 -","- C48 H40 Mn3 N2 O20 -","- C192 H160 Mn12 N8 O80 -","4","0.5","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.0782","0.0496","","","0.115","0.125","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507655","11.182","0.0016","12.3862","0.0017","14.411","0.002","90.637","0.013","105.444","0.016","90.101","0.015","1923.7","0.5","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C76 H128 O12 -","4","2","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","0.71073","MoKα","","0.1852","0.0756","","","0.2046","0.2607","","","","","","0.89","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507656","11.116","0.0012","12.3805","0.0014","14.3352","0.0014","90.89","0.009","105.252","0.012","90.301","0.01","1903","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C76 H128 O12 -","4","2","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","1.5418","CuKα","","0.112","0.0814","","","0.2576","0.2959","","","","","","1.05","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507657","11.12","0.003","12.377","0.003","14.302","0.003","90.989","0.003","105.2","0.03","90.13","0.02","1899.2","0.8","252","0.2","252","0.2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C76 H128 O12 -","4","2","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","0.71073","MoKα","","0.117","0.0579","","","0.1491","0.1632","","","","","","0.839","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507658","5.5767","0.0007","11.307","0.002","14.36","0.003","85.31","0.016","79.891","0.013","87.302","0.013","887.9","0.3","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C38 H64 O6 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","0.71073","MoKα","","0.2033","0.067","","","0.1401","0.1843","","","","","","0.814","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507659","5.6256","0.0002","11.3866","0.0005","14.4819","0.0006","85.347","0.004","79.642","0.003","87.531","0.004","909.15","0.06","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C38 H64 O6 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","1.5418","CuKα","","0.0442","0.0399","","","0.1085","0.1128","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507660","5.6643","0.0008","11.432","0.0018","14.604","0.002","85.208","0.013","79.191","0.013","87.602","0.012","925.3","0.2","245","0.2","245","0.2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C38 H64 O6 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","0.71073","MoKα","","0.0711","0.0441","","","0.1225","0.1281","","","","","","0.962","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507661","9.106","0.005","9.342","0.005","16.542","0.005","81.937","0.005","89.035","0.005","63.45","0.005","1244.7","1","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 Ag2 N6 O8 S2 -","- C50 H52 Ag2 N6 O8 S2 -","- C50 H52 Ag2 N6 O8 S2 -","1","0.5","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71069","MoKα","","0.0555","0.0445","","","0.1347","0.1502","","","","","","1.075","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507662","10.423","0.011","10.693","0.012","10.805","0.012","77.758","0.013","77.448","0.013","80.607","0.013","1140","2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Ag3 Cl3 N6 O13 -","- C36 H36 Ag3 Cl3 N6 O13 -","- C36 H36 Ag3 Cl3 N6 O13 -","1","0.5","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71073","MoKα","","0.0597","0.0478","","","0.1465","0.1554","","","","","","1.067","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507663","25.339","0.005","6.221","0.005","26.305","0.005","90","0.005","95.545","0.005","90","0.005","4127","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 Ag N4 O3 -","- C21 H20 Ag N4 O3 -","- C168 H160 Ag8 N32 O24 -","8","1","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71069","MoKα","","0.0417","0.0292","","","0.0643","0.0709","","","","","","1.027","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507664","12.774","0.005","10.38","0.005","16.042","0.005","90","0.005","95.09","0.005","90","0.005","2118.7","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Ag N4 O3 -","- C21 H20 Ag N4 O3 -","- C84 H80 Ag4 N16 O12 -","4","1","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71069","MoKα","","0.0461","0.0318","","","0.0766","0.0859","","","","","","1.022","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507665","7.5848","0.0011","8.8251","0.0013","14.844","0.002","73.986","0.002","81.817","0.002","67.748","0.002","883.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Ag Cl N6 O4 -","- C36 H34 Ag Cl N6 O4 -","- C36 H34 Ag Cl N6 O4 -","1","0.5","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71073","MoKα","","0.0467","0.0378","","","0.1024","0.1079","","","","","","1.058","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507666","15.619","0.005","16.746","0.005","14.115","0.005","90","0.005","102.196","0.005","90","0.005","3609","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Ag F6 N6 P -","- C36 H34 Ag F6 N6 P -","- C144 H136 Ag4 F24 N24 P4 -","4","1","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71069","MoKα","","0.0828","0.0446","","","0.1139","0.1439","","","","","","1.025","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507667","16","0.002","16","0.002","7.5","0.0015","90","","90","","120","","1662.8","0.4","293","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C16 H21 Mg2 N3 O10 -","- C16 H16 Mg2 N3 O10 -","- C48 H48 Mg6 N9 O30 -","3","0.5","","Han, Lei; Qin, Lan; Yan, Xiao-Zhi; Xu, Lan-Ping; Sun, Junliang; Yu, Lei; Chen, Hong-Bing; Zou, Xiaodong","Two Isomeric Magnesium Metal‒Organic Frameworks with [24-MC-6] Metallacrown Cluster","Crystal Growth & Design","2013","13","5","1807","","10.1021/cg4000318","","","0.9077","synchrotron","","0.0535","0.0509","","","0.1404","0.1423","","","","","","1.071","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507668","27.384","0.0006","27.384","0.0006","9.114","0.0004","90","","90","","120","","5918.8","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H21 Mg2 N3 O10 -","- C16 H16 Mg2 N3 O10 -","- C144 H144 Mg18 N27 O90 -","9","0.5","","Han, Lei; Qin, Lan; Yan, Xiao-Zhi; Xu, Lan-Ping; Sun, Junliang; Yu, Lei; Chen, Hong-Bing; Zou, Xiaodong","Two Isomeric Magnesium Metal‒Organic Frameworks with [24-MC-6] Metallacrown Cluster","Crystal Growth & Design","2013","13","5","1807","","10.1021/cg4000318","","","0.71073","MoKα","","0.1035","0.0768","","","0.2388","0.2543","","","","","","1.052","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507669","5.8197","0.0007","7.382","0.0008","9.6242","0.0011","82.784","0.007","75.451","0.007","79.003","0.007","391.54","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C12 H26 N2 O6 -","2","1","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.0628","0.0437","","","0.1141","0.127","","","","","","1.059","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507670","9.075","0.003","10.526","0.004","10.954","0.004","66.29","0.02","83.87","0.02","88.28","0.02","952.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H13 N O5 -","- C8 H13 N O5 -","- C32 H52 N4 O20 -","4","2","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.0989","0.0495","","","0.1225","0.1475","","","","","","0.935","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507671","14.253","0.016","17.64","0.02","18.279","0.017","90","","120.75","0.07","90","","3950","8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N2 O10 -","- C16 H30 N2 O10 -","- C128 H240 N16 O80 -","8","2","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.1677","0.071","","","0.1652","0.2249","","","","","","0.96","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507672","13.737","0.004","9.975","0.003","8.836","0.002","90","","90","","90","","1210.8","0.6","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,2-dimethylimidazolium chloride","","","- C10 H17 Cl N4 -","- C10 H17 Cl N4 -","- C40 H68 Cl4 N16 -","4","1","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.0224","0.0222","","","0.0593","0.0596","","","","","","1.038","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507673","9.782","0.003","14.397","0.005","13.986","0.005","90","","105.785","0.006","90","","1895.4","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C80 H88 N8 O24 -","4","1","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.0552","0.0447","","","0.1202","0.1274","","","","","","1.037","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507674","7.679","0.002","8.747","0.002","15.342","0.004","97.427","0.003","97.273","0.003","106.38","0.003","965.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 F2 N2 O7 Zn -","- C18 H15 F2 N2 O7 Zn -","- C36 H30 F4 N4 O14 Zn2 -","2","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao","Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration","Crystal Growth & Design","2013","13","3","996","","10.1021/cg4000445","","","0.71073","MoKα","","0.0564","0.0396","","","0.0966","0.1038","","","","","","1.106","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507675","18.241","0.004","14.868","0.003","19.41","0.004","90","","90","","90","","5264.1","1.9","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H22 N4 O6 Zn -","- C28 H22 N4 O6 Zn -","- C224 H176 N32 O48 Zn8 -","8","2","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao","Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration","Crystal Growth & Design","2013","13","3","996","","10.1021/cg4000445","","","0.71073","MoKα","","0.0762","0.0492","","","0.1251","0.1401","","","","","","1.033","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507676","29.924","0.003","10.8697","0.0012","18.562","0.002","90","","116.496","0.001","90","","5403.4","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cd F4 N4 O8 -","- C28 H20 Cd F4 N4 O8 -","- C224 H160 Cd8 F32 N32 O64 -","8","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao","Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration","Crystal Growth & Design","2013","13","3","996","","10.1021/cg4000445","","","0.71073","MoKα","","0.0248","0.0238","","","0.0643","0.0649","","","","","","1.074","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507677","29.757","0.009","10.905","0.003","18.485","0.006","90","","115.391","0.003","90","","5419","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd N4 O8 -","- C28 H24 Cd N4 O8 -","- C224 H192 Cd8 N32 O64 -","8","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao","Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration","Crystal Growth & Design","2013","13","3","996","","10.1021/cg4000445","","","0.71073","MoKα","","0.0354","0.0307","","","0.0867","0.0928","","","","","","1.061","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507678","10.5203","0.0012","10.9798","0.0011","12.6131","0.0012","90.891","0.008","106.074","0.009","91.642","0.009","1399","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N3 O4 S2 -","- C13 H11 N3 O4 S2 -","- C52 H44 N12 O16 S8 -","4","2","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0584","0.042","","","0.0922","0.1015","","","","","","1.025","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507679","10.482","0.004","8.811","0.003","19.127","0.01","90","","99.38","0.04","90","","1742.9","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N3 O6 S2 -","- C15 H15 N3 O6 S2 -","- C60 H60 N12 O24 S8 -","4","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1896","0.0761","","","0.1393","0.2155","","","","","","0.981","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507680","9.0697","0.0009","10.8773","0.0011","11.794","0.0009","105.197","0.008","96.812","0.007","107.752","0.009","1044.12","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 N3 O6 S2 -","- C20 H17 N3 O6 S2 -","- C40 H34 N6 O12 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1196","0.0579","","","0.1061","0.1225","","","","","","0.954","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507681","7.1944","0.0004","11.9693","0.0011","12.0865","0.001","100.162","0.007","90.187","0.006","102.418","0.006","999.58","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N3 O6 S2 -","- C19 H17 N3 O6 S2 -","- C38 H34 N6 O12 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1146","0.0657","","","0.1375","0.1633","","","","","","1.043","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507682","12.08","0.003","14.546","0.003","9.954","0.002","90","","110.05","0.03","90","","1643.1","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O6 S2 -","- C14 H13 N3 O6 S2 -","- C56 H52 N12 O24 S8 -","4","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1358","0.0732","","","0.1358","0.1561","","","","","","1.103","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507683","10.636","0.0018","15.312","0.003","10.4996","0.0018","90","","116.543","0.002","90","","1529.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl N3 O4 S2 -","- C13 H12 Cl N3 O4 S2 -","- C52 H48 Cl4 N12 O16 S8 -","4","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0397","0.0357","","","0.0901","0.0931","","","","","","1.06","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507684","7.981","0.006","9.725","0.007","12.221","0.009","87.485","0.011","74.48","0.011","81.915","0.01","904.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N3 O7 S3 -","- C14 H15 N3 O7 S3 -","- C28 H30 N6 O14 S6 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.098","0.0804","","","0.2142","0.2292","","","","","","1.074","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507685","8.9532","0.001","9.1395","0.0013","21.195","0.002","90","","97.897","0.009","90","","1717.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O6 S2 -","- C14 H14 N4 O6 S2 -","- C56 H56 N16 O24 S8 -","4","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0625","0.0467","","","0.1307","0.1379","","","","","","1.107","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507686","8.7424","0.0013","10.352","0.002","11.639","0.002","71.707","0.017","73.048","0.015","86.877","0.014","955.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N3 O6 S2 -","- C16 H17 N3 O6 S2 -","- C32 H34 N6 O12 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1499","0.058","","","0.0936","0.1128","","","","","","0.869","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507687","8.2448","0.0006","8.3847","0.0006","13.2691","0.0009","76.063","0.006","75.432","0.006","86.851","0.006","861.65","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N4 O4 S2 -","- C15 H16 N4 O4 S2 -","- C30 H32 N8 O8 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0752","0.0441","","","0.0954","0.1046","","","","","","0.946","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507688","9.2566","0.0007","9.4512","0.0011","11.6875","0.0012","75.01","0.01","87.291","0.007","89.025","0.008","986.58","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N3 O7 S2 -","- C19 H17 N3 O7 S2 -","- C38 H34 N6 O14 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0978","0.08","","","0.2429","0.2558","","","","","","1.117","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507689","9.117","0.001","9.8388","0.0012","11.424","0.0012","106.074","0.01","90.432","0.009","93.503","0.01","982.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N3 O6 S2 -","- C19 H17 N3 O6 S2 -","- C38 H34 N6 O12 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1415","0.0905","","","0.2183","0.2615","","","","","","0.981","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507690","9.2338","0.0011","11.074","0.002","11.864","0.002","114.225","0.017","95.085","0.012","104.375","0.013","1046.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 N3 O7 S2 -","- C20 H17 N3 O7 S2 -","- C40 H34 N6 O14 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.2426","0.0751","","","0.1107","0.1705","","","","","","0.906","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507691","6.8795","0.0003","9.798","0.0004","13.3598","0.0006","83.848","0.003","79.249","0.003","74.623","0.003","851.46","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Thallium Uranyl(VI) Dihydrogenphosphite-Phosphite","","","- H4 O16 P4 Tl2 U2 -","- H4 O16 P4 Tl2.005 U2 -","- H8 O32 P8 Tl4.01 U4 -","2","1","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.0784","0.0501","","","0.1213","0.1353","","","","","","1.009","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507692","11.1774","0.0002","11.4215","0.0002","12.139","0.0002","90","","108.907","0.001","90","","1466.08","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Thallium Uranyl Phosphite","","","- H3 O14 P3 Tl2 U2 -","- H3 O14 P3 Tl2 U2 -","- H12 O56 P12 Tl8 U8 -","4","1","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.0684","0.0358","","","0.0763","0.0883","","","","","","1.005","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507693","14.7052","0.0016","10.448","0.0011","26.641","0.003","90","","91.203","0.008","90","","4092.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Thallium Uranyl(VI) Phosphite","","","- H0 O37 P8 Tl6 U5 -","- O37 P8 Tl6 U5 -","- O148 P32 Tl24 U20 -","4","1","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.1266","0.0781","","","0.1805","0.2042","","","","","","0.976","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507694","13.5382","0.0005","13.5382","0.0005","19.4008","0.0009","90","","90","","90","","3555.8","0.2","100","2","100","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","Thallium Uranyl(VI) Phosphate-Phosphite","","","- H2 O18 P4 Tl3 U2 -","- H2 O18 P4 Tl3 U2 -","- H16 O144 P32 Tl24 U16 -","8","0.5","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.0385","0.0329","","","0.0757","0.0781","","","","","","1.098","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507695","16.236","0.0005","10.4995","0.0003","11.0003","0.0003","90","","99.027","0.002","90","","1851.99","0.09","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Thallium Uranium(VI,IV) Phosphate-Phosphite","","","- H0 O19 P4 Tl2 U3 -","- O19 P4 Tl2 U3 -","- O76 P16 Tl8 U12 -","4","0.5","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.0437","0.0355","","","0.081","0.0835","","","","","","1.089","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507696","8.5022","0.0002","9.0863","0.0002","15.6786","0.0004","90","","90","","90","","1211.23","0.05","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","guanidine","guanidine","","- C H5 N3 -","- C H5 N3 -","- C16 H80 N48 -","16","2","","Sawinski, Peter Klaus; Meven, Martin; Englert, Ulli; Dronskowski, Richard","Single-Crystal Neutron Diffraction Study on Guanidine, CN3H5","Crystal Growth & Design","2013","13","4","1730","","10.1021/cg400054k","","neutron","0.7937","","","0.0806","0.0414","","","0.0819","0.1033","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507697","8.5568","0.0002","9.1952","0.0002","15.7495","0.0004","90","","90","","90","","1239.19","0.05","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","guanidine","guanidine","","- C H5 N3 -","- C H5 N3 -","- C16 H80 N48 -","16","2","","Sawinski, Peter Klaus; Meven, Martin; Englert, Ulli; Dronskowski, Richard","Single-Crystal Neutron Diffraction Study on Guanidine, CN3H5","Crystal Growth & Design","2013","13","4","1730","","10.1021/cg400054k","","neutron","0.7937","","","0.1046","0.0514","","","0.0802","0.1008","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507698","13.3441","0.001","43.503","0.005","13.1326","0.001","90","","90","","90","","7623.6","1.2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C15 H12 Cd N2.5 Na1.5 O9 -","- C15 H9 Cd N2.5 Na1.5 O9 -","- C240 H144 Cd16 N40 Na24 O144 -","16","1","","Du, Fenglei; Zhang, Huabin; Tian, Chongbin; Du, Shaowu","Synthesis and Structure of Two Acentric Heterometallic Inorganic‒Organic Hybrid Frameworks with Both Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2013","13","4","1736","","10.1021/cg400060t","","","0.71073","MoKα","","","0.0487","","","0.1044","0.107","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507699","18.6294","0.001","9.9345","0.0005","14.7424","0.0008","90","","90","","90","","2728.4","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H24 Cd N Na O14 -","- C18 H15 Cd N Na O14 -","- C72 H60 Cd4 N4 Na4 O56 -","4","1","","Du, Fenglei; Zhang, Huabin; Tian, Chongbin; Du, Shaowu","Synthesis and Structure of Two Acentric Heterometallic Inorganic‒Organic Hybrid Frameworks with Both Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2013","13","4","1736","","10.1021/cg400060t","","","0.71073","MoKα","","","0.0601","","","0.1774","0.1823","","","","","","1.048","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507700","7.1116","0.0011","10.9029","0.0014","12.2212","0.0018","113.391","0.004","97.047","0.004","92.829","0.004","858.1","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Bi-2,6-pyridine dicarboxylate","","","- C32 H20 Bi2 N6 O18 -","- C32 H20 Bi2 N6 O18 -","- C32 H20 Bi2 N6 O18 -","1","0.5","","Sushrutha, S. R.; Natarajan, Srinivasan","Bismuth Carboxylates with Brucite- and Fluorite-Related Structures: Synthesis Structure and Properties","Crystal Growth & Design","2013","13","4","1743","","10.1021/cg4000654","","","0.71073","MoKα","","0.0378","0.0305","","","0.0702","0.0733","","","","","","1.053","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507701","6.955","0.0007","6.9973","0.0007","12.8905","0.0012","81.541","0.008","81.012","0.008","78.708","0.008","603.22","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bi-imidazole dicarboxylate","","","- C10 H4 Bi N4 O8 -","- C10 H4 Bi N4 O8 -","- C20 H8 Bi2 N8 O16 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Bismuth Carboxylates with Brucite- and Fluorite-Related Structures: Synthesis Structure and Properties","Crystal Growth & Design","2013","13","4","1743","","10.1021/cg4000654","","","0.71073","MoKα","","0.0292","0.0267","","","0.0635","0.0652","","","","","","1.054","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507702","7.2623","0.0013","7.5389","0.0012","8.1125","0.0014","97.699","0.006","101.048","0.006","113.21","0.005","389.69","0.12","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Bi-3,4-pyridine dicarboxylate","","","- C7 H3 Bi N O5 -","- C7 H3 Bi N O5 -","- C14 H6 Bi2 N2 O10 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Bismuth Carboxylates with Brucite- and Fluorite-Related Structures: Synthesis Structure and Properties","Crystal Growth & Design","2013","13","4","1743","","10.1021/cg4000654","","","0.71073","MoKα","","0.0408","0.0359","","","0.0776","0.0787","","","","","","1.051","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507703","6.432","0.002","22.966","0.009","5.0934","0.0019","90","","90","","90","","752.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H26 Cl2 N2 O2 -","- C10 H26 Cl2 N2 O2 -","- C20 H52 Cl4 N4 O4 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","0.71073","MoKα","","0.0668","0.0588","","","0.1378","0.1431","","","","","","1.032","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507704","12.239","0.003","15.151","0.003","5.298","0.0011","90","","90","","90","","982.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H32 N2 O8 S2 -","- C12 H32 N2 O8 S2 -","- C24 H64 N4 O16 S4 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","0.71073","MoKα","","0.073","0.0646","","","0.1242","0.1274","","","","","","1.156","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507705","8.5813","0.0006","10.5252","0.0008","10.921","0.0008","70.626","0.001","68.872","0.001","73.867","0.001","853.82","0.11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H58 N4 O13 -","- C28 H58 N4 O13.145 -","- C28 H58 N4 O13.145 -","1","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","0.71073","MoKα","","0.0328","0.0326","","","0.0859","0.0861","","","","","","1.041","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507706","7.1428","0.0003","8.4149","0.0003","10.1973","0.0004","90","","95.633","0.004","90","","609.96","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H24 N2 O2 -","- C10 H24 N2 O2 -","- C20 H48 N4 O4 -","2","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","1.5418","CuKα","","0.0526","0.0506","","","0.1438","0.1471","","","","","","1.075","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507707","14.459","0.0015","20.243","0.001","21.109","0.002","90","","90","","90","","6178.5","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H19 N3 O17 Y2 -","- C33 H15 N3 O17 Y2 -","- C132 H60 N12 O68 Y8 -","4","1","","Tang, Kuanzhen; Yun, Ruirui; Lu, Zhiyong; Du, Liting; Zhang, Mingxing; Wang, Qian; Liu, Huiyan","High CO2/N2Selectivity and H2Adsorption of a Novel Porous Yttrium Metal‒Organic Framework Based onN,N′,N″-Tris(isophthalyl)-1,3,5-benzenetricarboxamide","Crystal Growth & Design","2013","13","4","1382","","10.1021/cg400096e","","","0.71073","MoKα","","0.1096","0.0927","","","0.228","0.2422","","","","","","0.778","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507708","33.404","0.002","19.1752","0.0007","22.1972","0.0011","90","","122.09","0.008","90","","12045.6","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H115 Gd1.42 N4 O60.5 S10 -","- C82 H72 Gd1.4186 N4 O60.5 S10 -","- C328 H288 Gd5.6744 N16 O242 S40 -","4","0.5","","Ling, Irene; Boulos, Ramiz A.; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Constructing Multicomponent Materials Involving Inclusion of Mono- and Bis-Imidazolium Cations in Gadolinium(III)-p-sulfonatocalix[5]arene Coordination Networks","Crystal Growth & Design","2013","13","5","2025","","10.1021/cg4000999","","","0.71073","MoKα","","0.1154","0.0798","","","0.2241","0.2378","","","","","","1.002","","","","has coordinates,has disorder","287892","2023-11-30","16:04:10",""
"4507709","18.4693","0.0005","18.5141","0.0005","21.9625","0.0006","104.299","0.002","101.711","0.002","103.672","0.002","6793.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C220 H288 Gd2 N20 O127 S20 -","- C220 H180 Gd2 N20 O127 S20 -","- C220 H180 Gd2 N20 O127 S20 -","1","0.5","","Ling, Irene; Boulos, Ramiz A.; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Constructing Multicomponent Materials Involving Inclusion of Mono- and Bis-Imidazolium Cations in Gadolinium(III)-p-sulfonatocalix[5]arene Coordination Networks","Crystal Growth & Design","2013","13","5","2025","","10.1021/cg4000999","","","0.71073","MoKα","","0.1992","0.1677","","","0.3467","0.363","","","","","","1.564","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507710","7.7801","0.0003","6.7905","0.0002","40.5837","0.0016","90","","95.328","0.003","90","","2134.8","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl2 N3 O2 -","- C23 H25 Cl2 N3 O2 -","- C92 H100 Cl8 N12 O8 -","4","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0464","0.0361","","","0.0914","0.0969","","","","","","1.04","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507711","13.815","0.0003","9.116","0.0002","17.5978","0.0003","90","","102.795","0.001","90","","2161.19","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl2 N3 O2 -","- C23 H25 Cl2 N3 O2 -","- C92 H100 Cl8 N12 O8 -","4","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0376","0.0331","","","0.0881","0.0917","","","","","","1.028","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507712","16.3186","0.0003","7.0532","0.0001","19.1212","0.0003","90","","105.894","0.001","90","","2116.68","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl2 N3 O2 -","- C23 H25 Cl2 N3 O2 -","- C92 H100 Cl8 N12 O8 -","4","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0368","0.0323","","","0.086","0.0895","","","","","","1.017","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507713","7.6794","0.0002","8.1951","0.0002","19.2697","0.0004","85.791","0.002","88.984","0.002","75.052","0.002","1168.51","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23.8 H28.2 Cl2 N3 O2.8 -","- C23.8 H28.2 Cl2 N3 O2.8 -","- C47.6 H56.4 Cl4 N6 O5.6 -","2","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0446","0.0397","","","0.1189","0.1231","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507714","8.3321","0.0007","10.1219","0.0008","15.168","0.0013","84.562","0.005","84.704","0.005","68.879","0.004","1185.58","0.17","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cl2 N3 O3 -","- C24 H29 Cl2 N3 O3 -","- C48 H58 Cl4 N6 O6 -","2","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0427","0.0385","","","0.1081","0.1115","","","","","","1.044","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507715","11.1026","0.0014","12.679","0.0014","16.6841","0.0019","90","","97.475","0.008","90","","2328.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl2 N3 O3 -","- C23 H27 Cl2 N3 O3 -","- C92 H108 Cl8 N12 O12 -","4","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.1072","0.0416","","","0.1326","0.1863","","","","","","1.046","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507716","6.123","0.005","9.135","0.007","19.405","0.016","90","","90","","90","","1085.4","1.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H13 Cl F2 N2 O2 -","- C8 H13 Cl F2.002 N2 O2 -","- C32 H52 Cl4 F8.008 N8 O8 -","4","0.5","","Shi, Xiaojun; Luo, Junhua; Sun, Zhihua; Li, Shigeng; Ji, Chengmin; Li, Lina; Han, Liang; Zhang, Shuquan; Yuan, Daqiang; Hong, Maochun","Switchable Dielectric Phase Transition Induced by Ordering of Twisting Motion in 1,4-Diazabicyclo[2.2.2]octane Chlorodifluoroacetate","Crystal Growth & Design","2013","13","5","2081","","10.1021/cg400146b","","","0.71073","MoKα","","0.093","0.0888","","","0.2636","0.2684","","","","","","1.109","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507717","9.116","0.005","18.023","0.01","21.227","0.01","90","","115.33","0.02","90","","3152","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Cl F2 N2 O2 -","- C8 H13 Cl F2 N2 O2 -","- C96 H156 Cl12 F24 N24 O24 -","12","3","","Shi, Xiaojun; Luo, Junhua; Sun, Zhihua; Li, Shigeng; Ji, Chengmin; Li, Lina; Han, Liang; Zhang, Shuquan; Yuan, Daqiang; Hong, Maochun","Switchable Dielectric Phase Transition Induced by Ordering of Twisting Motion in 1,4-Diazabicyclo[2.2.2]octane Chlorodifluoroacetate","Crystal Growth & Design","2013","13","5","2081","","10.1021/cg400146b","","","0.71073","MoKα","","0.112","0.0816","","","0.2157","0.253","","","","","","1.178","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507718","15.299","0.002","6.0123","0.0006","15.75","0.0019","90","","117.745","0.017","90","","1282.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N5 O3 -","- C11 H17 N5 O3 -","- C44 H68 N20 O12 -","4","1","","Pérez-Fernández, R.; Fresno, N.; Goya, P.; Elguero, J.; Menéndez-Taboada, L.; García-Granda, S.; Marco, C.","Structure and Thermodynamical Properties of Metformin Salicylate","Crystal Growth & Design","2013","13","4","1780","","10.1021/cg400150f","","","1.5418","CuKα","","0.1102","0.0865","","","0.2487","0.2748","","","","","","1.082","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507719","28.1968","0.0013","28.1968","0.0013","18.1399","0.001","90","","90","","90","","14422.3","1.2","293","2","293","2","","","","","","","","4","I -4 m 2","I -4 -2","119","","","","- C40 H26 Cu2 O10 -","- C40 H22 Cu2 O10 -","- C320 H176 Cu16 O80 -","8","0.5","","Cai, Jianfeng; Yu, Jiancan; Xu, Hui; He, Yabing; Duan, Xing; Cui, Yuanjing; Wu, Chuande; Chen, Banglin; Qian, Guodong","A Doubly Interpenetrated Metal‒Organic Framework with Open Metal Sites and Suitable Pore Sizes for Highly Selective Separation of Small Hydrocarbons at Room Temperature","Crystal Growth & Design","2013","13","5","2094","","10.1021/cg400164m","","","0.71073","MoKα","","0.0579","0.0489","","","0.1293","0.1337","","","","","","1.17","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507720","13.6066","0.0002","13.6066","0.0002","13.6066","0.0002","90","","90","","90","","2519.12","0.06","298","2","298.15","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C30 H54 Mn8 Na4 O30 -","- C30 H54.72 Mn8 Na4 O30 -","- C60 H109.44 Mn16 Na8 O60 -","2","0.0208333","","Liu, Min-Min; Han, Cai-Yun; Qin, Ying-Lian; Zhang, Xian-Ming","Mn8@Na8Cube-in-Cube SBBs-Based Heterometallic Coordination Network with Unprecedented (39.46)8Topological Mn8(μ4-OMe)6Cubes","Crystal Growth & Design","2013","13","4","1386","","10.1021/cg400165v","","","0.71073","MoKα","","0.0687","0.064","","","0.2164","0.2313","","","","","","1.251","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507721","10.947","0.002","8.365","0.0017","22.229","0.004","90","","91.05","0.03","90","","2035.2","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N3 O5 -","- C8 H9 N3 O5 -","- C64 H72 N24 O40 -","8","1","","Luo, Yang-Hui; Sun, Bai-Wang","Pharmaceutical Co-Crystals of Pyrazinecarboxamide (PZA) with Various Carboxylic Acids: Crystallography, Hirshfeld Surfaces, and Dissolution Study","Crystal Growth & Design","2013","13","5","2098","","10.1021/cg400167w","","","0.71073","MoKα","","0.1399","0.0617","","","0.1217","0.15","","","","","","0.922","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507722","3.884","0.0008","17.364","0.003","12.699","0.003","90","","101.54","0.03","90","","839.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N3 O3 -","- C7 H8 N3 O3 -","- C28 H32 N12 O12 -","4","1","","Luo, Yang-Hui; Sun, Bai-Wang","Pharmaceutical Co-Crystals of Pyrazinecarboxamide (PZA) with Various Carboxylic Acids: Crystallography, Hirshfeld Surfaces, and Dissolution Study","Crystal Growth & Design","2013","13","5","2098","","10.1021/cg400167w","","","0.71073","MoKα","","0.0561","0.0413","","","0.1078","0.1147","","","","","","1.047","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507723","11.2","0.002","5.052","0.001","22.001","0.004","90","","104.07","0.03","90","","1207.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 O5 -","- C10 H13 N3 O5 -","- C40 H52 N12 O20 -","4","1","","Luo, Yang-Hui; Sun, Bai-Wang","Pharmaceutical Co-Crystals of Pyrazinecarboxamide (PZA) with Various Carboxylic Acids: Crystallography, Hirshfeld Surfaces, and Dissolution Study","Crystal Growth & Design","2013","13","5","2098","","10.1021/cg400167w","","","0.71073","MoKα","","0.1764","0.0866","","","0.1784","0.2175","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507724","23.6644","0.0017","14.9473","0.0013","32.9534","0.0016","90","","93.185","0.003","90","","11638.2","1.4","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C120 H80 N8 O28 S4 Zn4 -","- C120 H80 N8 O28 S4 Zn4 -","- C480 H320 N32 O112 S16 Zn16 -","4","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.0544","0.0495","","","0.1129","0.1138","","","","","","1.055","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507725","14.754","0.002","24.039","0.003","25.304","0.003","90","","101.283","0.003","90","","8801.2","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H66 F12 N8 O13 Zn2 -","- C98 H66 F12 N8 O13 Zn2 -","- C392 H264 F48 N32 O52 Zn8 -","4","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.11","0.0631","","","0.1654","0.1773","","","","","","1.022","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507726","13.5717","0.0012","13.5717","0.0012","37.332","0.007","90","","90","","120","","5955","1.3","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C46 H32 N4 O7 Zn -","- C46 H32 N4 O7 Zn -","- C276 H192 N24 O42 Zn6 -","6","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.0786","0.0455","","","0.063","0.0659","","","","","","1.133","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507727","13.2457","0.0008","13.256","0.0007","15.0285","0.0015","91.851","0.001","102.53","0.001","119.01","0.001","2223.3","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H62 Cd2 N8 O15 S2 -","- C92 H62 Cd2 N8 O15 S2 -","- C92 H62 Cd2 N8 O15 S2 -","1","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.1062","0.0584","","","0.0988","0.1115","","","","","","1.087","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507728","13.821","0.009","32.91","0.02","14.903","0.01","90","","112.939","0.01","90","","6243","7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H43 Cd2 F12 N4 O13 -","- C66 H43 Cd2 F12 N4 O13 -","- C264 H172 Cd8 F48 N16 O52 -","4","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.0639","0.0523","","","0.1497","0.1588","","","","","","1.039","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507729","12.5223","0.0004","12.5223","0.0004","26.0224","0.001","90","","90","","90","","4080.5","0.2","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C12 H10 N8 O4 Zn2 -","- C12 H10 N8 O4 Zn2 -","- C96 H80 N64 O32 Zn16 -","8","0.5","","Chen, Kai-Jie; Lin, Rui-Biao; Liao, Pei-Qin; He, Chun-Ting; Lin, Jian-Bin; Xue, Wei; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","New Zn-Aminotriazolate-Dicarboxylate Frameworks: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2013","13","5","2118","","10.1021/cg400183s","","","0.71073","MoKα","","0.0617","0.0451","","","0.1323","0.1444","","","","","","1.065","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507730","13.2828","0.0005","13.2828","0.0005","26.6491","0.001","90","","90","","90","","4701.8","0.3","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C12 H12 N10 O4 Zn2 -","- C12 H12 N10 O4 Zn2 -","- C96 H96 N80 O32 Zn16 -","8","0.5","","Chen, Kai-Jie; Lin, Rui-Biao; Liao, Pei-Qin; He, Chun-Ting; Lin, Jian-Bin; Xue, Wei; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","New Zn-Aminotriazolate-Dicarboxylate Frameworks: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2013","13","5","2118","","10.1021/cg400183s","","","0.71073","MoKα","","0.0568","0.0504","","","0.1466","0.1503","","","","","","1.071","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507731","17.233","0.0008","13.825","0.0006","12.1786","0.0007","90","","92.4829","0.0018","90","","2898.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N8 O5 Zn2 -","- C18 H14 N8 O5 Zn2 -","- C72 H56 N32 O20 Zn8 -","4","1","","Chen, Kai-Jie; Lin, Rui-Biao; Liao, Pei-Qin; He, Chun-Ting; Lin, Jian-Bin; Xue, Wei; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","New Zn-Aminotriazolate-Dicarboxylate Frameworks: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2013","13","5","2118","","10.1021/cg400183s","","","0.71073","MoKα","","0.1218","0.057","","","0.1521","0.2042","","","","","","1.086","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507732","13.4377","0.0009","17.6945","0.0009","16.5172","0.0008","90","","90","","90","","3927.4","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C38 H29 I N8 O8 Zn2 -","- C38 H29 I1.0004 N8 O8 Zn2 -","- C152 H116 I4.0016 N32 O32 Zn8 -","4","0.5","","Cao, Li-Hui; Xu, Qing-Qing; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","First Three-Dimensional Self-Penetrating Coordination Polymer Containing Rare (10,3)-d Subnets: Synthesis, Structure, and Properties","Crystal Growth & Design","2013","13","5","1812","","10.1021/cg400191x","","","0.71073","MoKα","","0.1172","0.0944","","","0.1923","0.2014","","","","","","1.079","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507733","10.936","0.002","16.06","0.003","19.474","0.004","77.21","0.03","76.03","0.03","72.09","0.03","3117.9","1.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H60 Ag2 Cl2 N4 O9 P4 -","- C63 H56 Ag2 Cl2 N4 O9 P4 -","- C126 H112 Ag4 Cl4 N8 O18 P8 -","2","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.1203","0.0829","","","0.1648","0.1845","","","","","","1.101","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507734","20.415","0.004","13.369","0.003","20.967","0.004","90","","90","","90","","5722","2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Ag Cl N2 P2 -","- C31 H28 Ag Cl N2 P2 -","- C248 H224 Ag8 Cl8 N16 P16 -","8","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0632","0.0534","","","0.0922","0.0964","","","","","","1.189","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507735","20.619","0.004","13.453","0.003","21.059","0.004","90","","90","","90","","5842","2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Ag Br N2 P2 -","- C31 H28 Ag Br N2 P2 -","- C248 H224 Ag8 Br8 N16 P16 -","8","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0663","0.0559","","","0.1064","0.111","","","","","","1.244","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507736","13.815","0.003","20.767","0.004","41.214","0.008","90","","90","","90","","11824","4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H56 Ag2 N6 P4 S2 -","- C64 H56 Ag2 N6 P4 S2 -","- C512 H448 Ag16 N48 P32 S16 -","8","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0833","0.0665","","","0.1368","0.1459","","","","","","1.191","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507737","20.499","0.004","11.142","0.002","26.08","0.01","90","","123.51","0.02","90","","4967","3","223","2","223","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C98 H86 Ag4 Cl2 N10 P6 -","- C98 H83 Ag4 Cl2 N10 P6 -","- C196 H166 Ag8 Cl4 N20 P12 -","2","0.5","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0828","0.0685","","","0.1758","0.188","","","","","","1.074","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507738","24.932","0.004","11.2178","0.0007","18.016","0.003","90","","129.11","0.03","90","","3909.8","1.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 Ag4 N7 P2 -","- C37 H31 Ag4 N7 P2 -","- C148 H124 Ag16 N28 P8 -","4","0.5","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0899","0.0743","","","0.1832","0.2028","","","","","","1.054","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507739","26.794","0.005","20.802","0.004","14.632","0.003","90","","121.21","0.03","90","","6975","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H56 Ag7 N11 P4 -","- C69 H56 Ag7 N11 P4 -","- C276 H224 Ag28 N44 P16 -","4","0.5","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0989","0.0554","","","0.097","0.1114","","","","","","1.021","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507740","9.3953","0.0001","7.3422","0.0001","13.9495","0.0002","90","","90","","90","","962.27","0.02","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Co N O7 -","- C7 H9 Co N O7 -","- C28 H36 Co4 N4 O28 -","4","1","","Saha, Rajat; Dey, Sanjoy Kumar; Biswas, Susobhan; Jana, Atish Dipankar; Kumar, Sanjay","Transformation of a Mother Crystal to a Daughter Crystal through Amorphous Phase: De-assembly of Coordination Helices upon Heating and Re-assembly through Aquation","Crystal Growth & Design","2013","13","5","2135","","10.1021/cg400224a","","","0.71073","MoKα","","0.0287","0.0273","","","0.0704","0.0722","","","","","","1.077","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507741","10.8982","0.0032","14.146","0.005","9.7303","0.0028","90","","96.009","0.026","90","","1491.8","0.8","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C7 H3 Co N O10 -","- C7 H3 Co N O10 -","- C28 H12 Co4 N4 O40 -","4","1","","Saha, Rajat; Dey, Sanjoy Kumar; Biswas, Susobhan; Jana, Atish Dipankar; Kumar, Sanjay","Transformation of a Mother Crystal to a Daughter Crystal through Amorphous Phase: De-assembly of Coordination Helices upon Heating and Re-assembly through Aquation","Crystal Growth & Design","2013","13","5","2135","","10.1021/cg400224a","powder diffraction","x-ray","1.5418","","","","","","","","","1.11552","","10.51","","","","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507742","8.9376","0.002","10.5525","0.0024","12.3822","0.0028","90","","90.601","0.011","90","","1167.8","0.5","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C16 H16 Cl32 -","8","2","","Negrier, Ph.; Barrio, M.; Tamarit, J. Ll.; Mondieig, D.; Zuriaga, M. J.; Perez, S. C.","Conformational Polymorphism: The Missing Phase of 1,1,2,2-Tetrachloroethane (Cl2HC‒CHCl2)","Crystal Growth & Design","2013","13","5","2143","","10.1021/cg400235b","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507743","7.389","0.003","12.276","0.005","14.769","0.006","89.541","0.005","78.601","0.005","84.3","0.006","1306.6","0.9","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","bis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium)glutarate.pentahydrate","","- C19 H44 N6 O9 -","- C19 H44 N6 O9 -","- C38 H88 N12 O18 -","2","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Water of Hydration in 2:1 Hydrogen-Bonded Complexes between 1,5,7-Triazabicyclo[4.4.0]dec-5-ene and Dicarboxylic Acids","Crystal Growth & Design","2013","13","5","2174","","10.1021/cg400250n","","","0.71073","MoKα","","0.0939","0.0487","","","0.1099","0.1302","","","","","","0.952","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507744","7.454","0.007","10.516","0.01","16.998","0.016","84.407","0.011","87.349","0.013","73.631","0.011","1272","2","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","bis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium. pyridine-3,5-dicarboxylate tetrahydrate'","","- C21 H39 N7 O8 -","- C21 H39 N7 O8 -","- C42 H78 N14 O16 -","2","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Water of Hydration in 2:1 Hydrogen-Bonded Complexes between 1,5,7-Triazabicyclo[4.4.0]dec-5-ene and Dicarboxylic Acids","Crystal Growth & Design","2013","13","5","2174","","10.1021/cg400250n","","","0.71073","MoKα","","0.1604","0.0843","","","0.1511","0.1784","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507745","8.5739","0.0012","30.821","0.004","9.7863","0.0013","90","","107.986","0.002","90","","2459.7","0.6","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Di(1,5,7-triazabicyclo[4.4.0]dec-5-ene).Phthalatetrihydrate","1,2,benzenedicarboxylate.bis(1,3,4,6,7,8-hexahydro-2H-pyrimido [1,2-a]pyrimidinium)trihydrate","","- C22 H38 N6 O7 -","- C22 H38 N6 O7 -","- C88 H152 N24 O28 -","4","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Water of Hydration in 2:1 Hydrogen-Bonded Complexes between 1,5,7-Triazabicyclo[4.4.0]dec-5-ene and Dicarboxylic Acids","Crystal Growth & Design","2013","13","5","2174","","10.1021/cg400250n","","","0.71073","MoKα","","0.0522","0.0381","","","0.0939","0.1028","","","","","","1.025","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507746","12.498","0.002","5.2071","0.001","11.411","0.002","90","","114.933","0.002","90","","673.4","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 N2 O10 Te2 V2 -","- C4 H14 N2 O10 Te2 V2 -","- C8 H28 N4 O20 Te4 V4 -","2","0.5","","Chang, Kelvin B.; Smith, Matthew D.; Blau, Samuel M.; Glor, Ethan C.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Steric-Induced Layer Flection in Templated Vanadium Tellurites","Crystal Growth & Design","2013","13","5","2190","","10.1021/cg400280x","","","0.71073","MoKα","","0.0319","0.029","","0.0716","0.0685","0.0643","","","","","","1.0104","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507747","13.13","0.005","5.165","0.005","11.338","0.005","90","","92.413","0.005","90","","768.2","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N2 O10 Te2 V2 -","- C6 H18 N2 O10 Te2 V2 -","- C12 H36 N4 O20 Te4 V4 -","2","0.5","","Chang, Kelvin B.; Smith, Matthew D.; Blau, Samuel M.; Glor, Ethan C.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Steric-Induced Layer Flection in Templated Vanadium Tellurites","Crystal Growth & Design","2013","13","5","2190","","10.1021/cg400280x","","","0.71073","MoKα","","0.0938","0.0651","","0.1556","0.1334","0.1236","","","","","","1.0191","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507748","10.6381","0.0017","6.3982","0.0011","11.6427","0.0019","90","","105.109","0.002","90","","765.1","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N2 O10 Te2 V2 -","- C6 H18 N2 O10 Te2 V2 -","- C12 H36 N4 O20 Te4 V4 -","2","0.5","","Chang, Kelvin B.; Smith, Matthew D.; Blau, Samuel M.; Glor, Ethan C.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Steric-Induced Layer Flection in Templated Vanadium Tellurites","Crystal Growth & Design","2013","13","5","2190","","10.1021/cg400280x","","","0.71073","MoKα","","0.0208","0.0193","","0.0448","0.0441","0.0434","","","","","","1.024","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507749","16.6256","0.0016","12.5308","0.0013","21.002","0.002","90","","109.391","0.006","90","","4127.2","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hup Form 2","","","- C15 H18 N2 O -","- C15 H19 N2 O -","- C180 H228 N24 O12 -","12","6","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","New Polymorphs of Huperzine A: Preparation, Structures, and Physicochemical Properties of Anhydrous Crystal Forms","Crystal Growth & Design","2013","13","5","2198","","10.1021/cg400313a","","","0.71073","MoKα","","0.1243","0.0678","","","0.1544","0.1877","","","","","","0.948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507750","26.595","0.005","7.5583","0.0013","14.652","0.003","90","","117.28","0.003","90","","2617.7","0.9","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","Huperzine A","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C120 H144 N16 O8 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","New Polymorphs of Huperzine A: Preparation, Structures, and Physicochemical Properties of Anhydrous Crystal Forms","Crystal Growth & Design","2013","13","5","2198","","10.1021/cg400313a","","","0.71073","MoKα","","0.0775","0.059","","","0.1544","0.1676","","","","","","1.056","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507751","8.698","0.003","9.187","0.003","12.231","0.004","73.87","0.03","87.42","0.03","64.52","0.03","844.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1:1 cocrystal of Temozolomide and Caffeine","","- C14 H16 N10 O4 -","- C14 H16 N10 O4 -","- C28 H32 N20 O8 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.1115","0.0573","","","0.1447","0.1633","","","","","","0.897","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507752","9.645","0.003","10.609","0.003","10.925","0.003","87.125","0.005","75.546","0.004","87.003","0.004","1080.2","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2:1 cocrystal of Temozolomide and Isonicotinamide","","- C18 H18 N14 O5 -","- C18 H18 N14 O5 -","- C36 H36 N28 O10 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0786","0.0511","","","0.1242","0.1412","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507753","12.4071","0.0011","6.631","0.0006","26.504","0.002","90","","92.91","0.002","90","","2177.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2:1 cocrystal of Temozolomide and NIcotinamide","","- C18 H18 N14 O5 -","- C18 H18 N14 O5 -","- C72 H72 N56 O20 -","4","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0929","0.0527","","","0.1246","0.1442","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507754","9.834","0.003","10.797","0.003","11.809","0.003","107.047","0.004","101.419","0.004","101.835","0.004","1127.8","0.5","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","2:1 cocrystal of Temozolomide and 4-hydroxybenzamide","","- C19 H19 N13 O6 -","- C19 H19 N13 O6 -","- C38 H38 N26 O12 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0619","0.0457","","","0.1169","0.1276","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507755","6.9091","0.0017","12.3493","0.0019","14.141","0.002","106.389","0.013","92.948","0.016","100.942","0.017","1129.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2:1 cocrystal of Temozolomide and 4-hydroxybenzaamide","","- C19 H19 N13 O6 -","- C19 H19 N13 O6 -","- C38 H38 N26 O12 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.1352","0.0854","","","0.2039","0.2459","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507756","8.557","0.0011","9.2537","0.0012","10.3924","0.0014","68.398","0.002","89.951","0.002","63.129","0.002","668.77","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1:1 cocrystal of Temozolomide and Pyrazinamide","","- C11 H11 N9 O3 -","- C11 H11 N9 O3 -","- C22 H22 N18 O6 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0912","0.0532","","","0.1207","0.1378","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507757","6.521","0.003","8.064","0.004","11.952","0.005","76.591","0.007","75.856","0.007","87.095","0.007","592.8","0.5","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","2:1 cocrystal of Temzolomide and Saccharin","","- C19 H17 N13 O7 S -","- C19 H17 N13 O7 S -","- C19 H17 N13 O7 S -","1","0.5","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0714","0.0467","","","0.1067","0.1205","","","","","","1.014","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507758","10.368","0.002","9.283","0.002","16.084","0.004","90","","101.79","0.003","90","","1515.4","0.6","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H13 Cd N3 O5 -","- C15 H13 Cd N3 O5 -","- C60 H52 Cd4 N12 O20 -","4","2","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.102","0.0718","","","0.1466","0.1636","","","","","","1.091","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507759","13.707","0.0014","22.724","0.002","21.771","0.002","90","","91.322","0.001","90","","6779.4","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Cd4 N12 O30 -","- C60 H72 Cd4 N12 O30 -","- C240 H288 Cd16 N48 O120 -","4","1","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.0507","0.03","","","0.0711","0.0809","","","","","","1.05","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507760","25.444","0.004","11.3655","0.0017","13.702","0.002","90","","121.25","0.001","90","","3387.5","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Cd N3 O7.5 -","- C15 H13 Cd N3 O7.5 -","- C120 H104 Cd8 N24 O60 -","8","1","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.0491","0.0331","","","0.0696","0.0759","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507761","24.905","0.003","9.213","0.001","16.7594","0.0018","90","","112.323","0.001","90","","3557.3","0.7","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H38 Cd2 N6 O16 -","- C30 H38 Cd2 N6 O16 -","- C120 H152 Cd8 N24 O64 -","4","1","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.0235","0.0205","","","0.0511","0.0535","","","","","","1.032","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507762","6.7858","0.0011","22.862","0.004","12.269","0.002","90","","91.97","0.002","90","","1902.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 Cd N3 O9.5 -","- C15 H21 Cd N3 O9.5 -","- C60 H84 Cd4 N12 O38 -","4","1","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.037","0.0343","","","0.085","0.0859","","","","","","1.276","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507763","14.0158","0.0012","17.1001","0.0015","22.014","0.002","79.749","0.002","89.457","0.002","66.057","0.002","4733.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H154 N11 O19 P3 -","- C77 H154 N11 O19 P3 -","- C154 H308 N22 O38 P6 -","2","1","","Rajbanshi, Arbin; Wan, Shun; Custelcean, Radu","Dihydrogen Phosphate Clusters: Trapping H2PO4‒Tetramers and Hexamers in Urea-Functionalized Molecular Crystals","Crystal Growth & Design","2013","13","5","2233","","10.1021/cg400336q","","","0.71073","MoKα","","0.068","0.0515","","","0.1478","0.159","","","","","","1.094","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507764","13.9538","0.0015","17.1425","0.0018","22.245","0.002","99.483","0.002","90.133","0.003","113.454","0.002","4801.2","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H162 N11 O19 P3 -","- C81 H162 N11 O19 P3 -","- C162 H324 N22 O38 P6 -","2","1","","Rajbanshi, Arbin; Wan, Shun; Custelcean, Radu","Dihydrogen Phosphate Clusters: Trapping H2PO4‒Tetramers and Hexamers in Urea-Functionalized Molecular Crystals","Crystal Growth & Design","2013","13","5","2233","","10.1021/cg400336q","","","0.71073","MoKα","","0.152","0.0876","","","0.233","0.2694","","","","","","1.013","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507765","12.5433","0.0014","15.2724","0.0016","16.78","0.0018","83.775","0.002","79.502","0.002","68.296","0.002","2933.6","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H91 N6 O10 P2 -","- C45 H91 N6 O10 P2 -","- C90 H182 N12 O20 P4 -","2","1","","Rajbanshi, Arbin; Wan, Shun; Custelcean, Radu","Dihydrogen Phosphate Clusters: Trapping H2PO4‒Tetramers and Hexamers in Urea-Functionalized Molecular Crystals","Crystal Growth & Design","2013","13","5","2233","","10.1021/cg400336q","","","0.71073","MoKα","","0.1317","0.0934","","","0.2727","0.3062","","","","","","1.059","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507766","7.663","0.002","8.714","0.003","28.376","0.009","90","","93.862","0.005","90","","1890.5","1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 F3 N2 O3 -","- C20 H17 F3 N2 O3 -","- C80 H68 F12 N8 O12 -","4","1","","Lv, Longyun; Zheng, Sichao; Cai, Xiaotie; Chen, Zhipeng; Zhu, Qiuhua; Liu, Shuwen","Development of four-component synthesis of tetra- and pentasubstituted polyfunctional dihydropyrroles: free permutation and combination of aromatic and aliphatic amines.","ACS combinatorial science","2013","15","4","183","192","10.1021/co300148c","","","0.71073","MoKα","","0.1808","0.0792","","","0.1854","0.2424","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507767","10.5224","0.0009","8.7192","0.0007","20.0164","0.0017","90","","102.322","0.002","90","","1794.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O3 -","- C20 H18 N2 O3 -","- C80 H72 N8 O12 -","4","1","","Zhang, Xiao-Nan; Shi, Min","Phosphine-Catalyzed [3 + 2] Cycloaddition of 4,4-Dicyano-2-methylenebut-3-enoates with Benzyl Buta-2,3-dienoate and Penta-3,4-dien-2-one","ACS Catalysis","2013","3","4","507","","10.1021/cs300751a","","","0.71073","MoKα","","0.0579","0.0453","","","0.1168","0.1263","","","","","","1.022","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507768","6.0338","0.0007","7.3229","0.0008","32.512","0.004","90","","90","","90","","1436.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F3 N2 O7 -","- C11 H13 F3 N2 O7 -","- C44 H52 F12 N8 O28 -","4","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","0.71073","MoKα","","0.0459","0.0367","","","0.0898","0.0943","","","","","","1.031","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507769","5.2612","0.0002","8.0356","0.0003","26.8522","0.001","90","","90.009","0.002","90","","1135.23","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 F3 O4 -","- C10 H11 F3 O4 -","- C40 H44 F12 O16 -","4","2","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","1.54178","CuKα","","0.0521","0.0518","","","0.1551","0.1554","","","","","","1.115","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507770","7.0694","0.001","7.0694","0.001","35.24","0.007","90","","90","","90","","1761.2","0.5","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C7 H10 F3 N O3 -","- C7 H10 F3 N O3 -","- C56 H80 F24 N8 O24 -","8","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","1.54178","CuKα","","0.0437","0.0437","","","0.1122","0.1122","","","","","","1.099","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507771","6.4729","0.0013","7.3947","0.0015","21.763","0.004","90","","90","","90","","1041.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 F3 N O3 -","- C8 H12 F3 N O3 -","- C32 H48 F12 N4 O12 -","4","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","1.54178","CuKα","","0.073","0.0699","","","0.1857","0.1914","","","","","","1.053","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507772","5.1139","0.0009","6.3453","0.0011","11.289","0.002","82.575","0.003","79.056","0.003","68.124","0.003","333.07","0.1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C12 H12 F3 N O3 S -","- C12 H12 F3 N O3 S -","- C12 H12 F3 N O3 S -","1","1","","Wen, Lele; Yin, Liang; Shen, Qilong; Lu, Long","Enantioselective Organocatalytic Michael Addition of Nitroalkanes and Other Nucleophiles to β-Trifluoromethylated Acrylamides","ACS Catalysis","2013","3","4","502","","10.1021/cs300806w","","","0.71073","MoKα","","0.0354","0.0351","","","0.1","0.1005","","","","","","1.077","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507773","7.077","0.002","7.792","0.002","17.241","0.005","83.163","0.006","83.039","0.006","75.993","0.006","911.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Cl2 N O2 S -","- C19 H19 Cl2 N O2 S -","- C38 H38 Cl4 N2 O4 S2 -","2","1","","Cheng, Jiajia; Tang, Xinjun; Ma, Shengming","Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes","ACS Catalysis","2013","3","4","663","","10.1021/cs300838k","","","0.71073","MoKα","","0.0479","0.0409","","","0.1115","0.1175","","","","","","1.05","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507774","14.8823","0.0006","15.0709","0.0006","15.0819","0.0006","90","","90","","90","","3382.7","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H22 Cl N O2 S -","- C16 H22 Cl N O2 S -","- C128 H176 Cl8 N8 O16 S8 -","8","1","","Cheng, Jiajia; Tang, Xinjun; Ma, Shengming","Highly Selective FeCl3-Catalyzed Cyclization of β-Sulfonamidoallenes or β-Allenols and Aldehydes","ACS Catalysis","2013","3","4","663","","10.1021/cs300838k","","","0.71073","MoKα","","0.0504","0.0424","","","0.1163","0.1293","","","","","","1.039","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507775","8.6638","0.001","10.6945","0.0012","21.769","0.002","90","","90","","90","","2017","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br N O4 S -","- C22 H18 Br N O4 S -","- C88 H72 Br4 N4 O16 S4 -","4","1","","Jia, Min-Qiang; You, Shu-Li","N-Heterocyclic Carbene-Catalyzed Enantioselective Intramolecular N-Tethered Aldehyde‒Ketone Benzoin Reactions","ACS Catalysis","2013","3","4","622","","10.1021/cs4000014","","","0.71073","MoKα","","0.0633","0.0463","","","0.1026","0.1108","","","","","","0.978","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507776","6.5346","0.0006","8.803","0.0009","10.4461","0.0011","85.089","0.009","75.857","0.009","68.462","0.009","542","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C26 H30 N2 O4 -","2","1","","Baronsky, Thilo; Beattie, Christopher; Harrington, Ross W.; Irfan, Reyhan; North, Michael; Osende, Javier G.; Young, Carl","Bimetallic Aluminum(salen) Catalyzed Synthesis of Oxazolidinones from Epoxides and Isocyanates","ACS Catalysis","2013","3","4","790","","10.1021/cs4001046","","","0.71073","MoKα","","0.0597","0.0545","","","0.1801","0.1857","","","","","","1.191","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507777","8.042","0.0003","8.042","0.0003","28.3749","0.0012","90","","90","","90","","1835.11","0.12","295","2","295","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C56 H72 Cl8 N16 O16 -","8","1","","Daszkiewicz, Marek","Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentrosymmertic Chlorides. X-Ray, Vibrational and Theoretical Studies","Crystal Growth & Design","2013","13","6","2277","","10.1021/cg301733r","","","0.71073","MoKα","","0.0974","0.0654","","","0.1503","0.168","","","","","","1.076","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507778","5.5223","0.0004","7.7292","0.0006","20.8328","0.0016","90","","90","","90","","889.21","0.12","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C28 H36 Cl4 N8 O8 -","4","1","","Daszkiewicz, Marek","Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentrosymmertic Chlorides. X-Ray, Vibrational and Theoretical Studies","Crystal Growth & Design","2013","13","6","2277","","10.1021/cg301733r","","","0.71073","MoKα","","0.0425","0.0354","","","0.0877","0.0919","","","","","","1.082","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507779","12.5392","0.0003","9.2956","0.0002","20.6018","0.0004","90","","99.435","0.002","90","","2368.85","0.09","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Cl6 N4 O5 Sn -","- C14 H20 Cl6 N4 O5 Sn -","- C56 H80 Cl24 N16 O20 Sn4 -","4","0.5","","Daszkiewicz, Marek","Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentrosymmertic Chlorides. X-Ray, Vibrational and Theoretical Studies","Crystal Growth & Design","2013","13","6","2277","","10.1021/cg301733r","","","0.71073","MoKα","","0.0245","0.0206","","","0.0529","0.0543","","","","","","1.071","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507780","23.3339","0.0017","18.0256","0.0018","15.2682","0.0013","90","","120.777","0.002","90","","5517.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 N12 O18 Zn3 -","- C54 H42 N12 O18 Zn3 -","- C216 H168 N48 O72 Zn12 -","4","0.5","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71073","MoKα","","0.0434","0.0367","","","0.104","0.1069","","","","","","1.038","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507781","9.5419","0.0001","15.4566","0.0002","23.1102","0.0003","90","","104.038","0.001","90","","3306.62","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N6 O12 Zn3 -","- C36 H24 N6 O12 Zn3 -","- C144 H96 N24 O48 Zn12 -","4","1","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71073","MoKα","","0.0667","0.0519","","","0.1474","0.1551","","","","","","1.079","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507782","9.6071","0.0015","15.995","0.003","23.486","0.005","90","","104.915","0.008","90","","3487.4","1.1","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cd3(Y1)(BTC)2]","","- C36 H24 Cd3 N6 O12 -","- C36 H24 Cd3 N6 O12 -","- C144 H96 Cd12 N24 O48 -","4","1","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71075","MoKα","","0.0249","0.0214","","","0.0519","0.0529","","","","","","1.081","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507783","15.604","0.002","8.665","0.001","17.69","0.002","90","","111.47","0.002","90","","2225.9","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H32 Cd3 N8 O16 -","- C42 H24 Cd3 N8 O16 -","- C84 H48 Cd6 N16 O32 -","2","0.5","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71073","MoKα","","0.0454","0.0381","","","0.1169","0.1235","","","","","","1.049","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507784","21.133","0.0009","13.329","0.0006","18.366","0.0012","90","","123.662","0.001","90","","4305.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 Cd3 N8 O14 -","- C42 H28 Cd3 N8 O14 -","- C168 H112 Cd12 N32 O56 -","4","0.5","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71069","MoKα","","0.028","0.0258","","","0.0626","0.0636","","","","","","1.085","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507785","8.7385","0.0006","14.9729","0.0011","12.6024","0.0009","90","","102.152","0.001","90","","1612","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.0732","0.0464","","","0.112","0.1251","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507786","19.489","0.003","9.2758","0.0012","14.632","0.002","90","","90.964","0.002","90","","2644.7","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N4 O8 -","- C27 H24 N4 O8 -","- C108 H96 N16 O32 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.0991","0.073","","","0.1946","0.2184","","","","","","1.038","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507787","10.8373","0.0011","13.6735","0.0014","16.8579","0.0017","90","","95.282","0.001","90","","2487.5","0.4","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 N4 O5 -","- C29 H26 N4 O5 -","- C116 H104 N16 O20 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.0504","0.039","","","0.1048","0.1123","","","","","","1.066","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507788","27.693","0.002","6.5838","0.0005","16.1466","0.0012","90","","90","","90","","2943.9","0.4","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H32 N4 O6 -","- C34 H32 N4 O6 -","- C136 H128 N16 O24 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.059","0.0447","","","0.1219","0.1386","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507789","7.5391","0.0001","15.3606","0.0002","23.5185","0.0003","90","","90.72","","90","","2723.35","0.06","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 N4 O5 -","- C33 H28 N4 O5 -","- C132 H112 N16 O20 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","1.54178","CuKα","","0.0354","0.0345","","","0.0979","0.099","","","","","","1.065","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507790","7.3667","0.0007","12.4342","0.0012","35.712","0.003","90","","93.875","0.001","90","","3263.7","0.5","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 N4 O5 -","- C41 H32 N4 O5 -","- C164 H128 N16 O20 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.0769","0.0559","","","0.1601","0.1803","","","","","","1.043","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507791","10.642","0.002","13.927","0.003","22.032","0.004","100.2","0.03","90.27","0.03","109.39","0.03","3024.4","1.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H41 Cl3 Cu10 I14 N4 O6 -","- C25 H41 Cl3 Cu10 I14 N4 O6 -","- C50 H82 Cl6 Cu20 I28 N8 O12 -","2","1","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","synchrotron","","0.0518","0.0451","","","0.1235","0.156","","","","","","1.063","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507792","8.471","0.0017","8.895","0.0018","12.919","0.003","107.31","0.03","91.8","0.03","96.29","0.03","921.7","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H19 Cu2 I3 N2 O2 -","- C12 H19 Cu2 I3 N2 O2 -","- C24 H38 Cu4 I6 N4 O4 -","2","1","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","synchrotron","","0.0343","0.0322","","","0.0796","0.081","","","","","","1.067","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507793","13.4834","0.0007","16.9513","0.001","19.4949","0.0012","68.035","0.002","73.558","0.002","71.645","0.002","3852.4","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H156 Cl3 Cu8 I11 N16 O40 -","- C101 H156 Cl3 Cu8 I11 N16 O40 -","- C101 H156 Cl3 Cu8 I11 N16 O40 -","1","0.5","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","MoKα","","0.0909","0.0672","","","0.1833","0.212","","","","","","1.112","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507794","11.3584","0.0013","14.054","0.002","19.535","0.003","107.967","0.008","97.502","0.007","98.108","0.007","2886.1","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H72 Cu4 I4 N8 O8 -","- C48 H72 Cu4 I4 N8 O8 -","- C96 H144 Cu8 I8 N16 O16 -","2","1","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","MoKα","","0.0845","0.0488","","","0.1161","0.1653","","","","","","1.024","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507795","19.275","0.003","19.275","0.003","13.123","0.003","90","","90","","120","","4222.3","1.3","123","2","123","2","","","","","","","","7","P -3","-P 3","147","","","","- C27 H32 Cu3 I4 K N4 O8 -","- C27 H32 Cu3.00667 I3.99333 K N4 O8 -","- C81 H96 Cu9.02 I11.98 K3 N12 O24 -","3","0.5","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.710698","synchrotron","","0.0813","0.0713","","","0.2373","0.2487","","","","","","1.063","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507796","10.9151","0.0002","11.4972","0.0002","13.0904","0.0003","90","","91.945","0.001","90","","1641.81","0.06","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl3.4 Cu2 I2.6 N4 O4 -","- C24 H40 Cl3.4 Cu2 I2.6 N4 O4 -","- C48 H80 Cl6.8 Cu4 I5.2 N8 O8 -","2","0.5","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","MoKα","","0.0411","0.0362","","","0.1004","0.1028","","","","","","1.14","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507797","9.1665","0.0006","10.0157","0.0007","10.8275","0.0007","78.835","0.002","77.128","0.002","75.841","0.002","929.4","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 Cl4 Cu N6 O6 -","- C30 H52 Cl4 Cu N6 O6 -","- C30 H52 Cl4 Cu N6 O6 -","1","0.5","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","MoKα","","0.0279","0.0236","","","0.0822","0.1035","","","","","","1.212","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507798","9.4964","0.0011","19.218","0.002","26.352","0.003","90","","98.503","0.006","90","","4756.4","0.9","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 N10 O8 -","- C52 H36 N10 O8 -","- C208 H144 N40 O32 -","4","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.71073","MoKα","","0.1013","0.0813","","","0.2348","0.258","","","","","","1.048","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507799","9.3749","0.0006","15.3886","0.0011","17.2299","0.0011","112.269","0.007","98.944","0.005","102.439","0.006","2167.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Ag B F4 N8 O4 -","- C50 H30 Ag B F4 N8 O4 -","- C100 H60 Ag2 B2 F8 N16 O8 -","2","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","MoKα","","0.0971","0.066","","","0.172","0.1944","","","","","","1.041","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507800","9.636","0.0019","15.622","0.003","17.308","0.003","110.7","0.03","101.45","0.03","103.66","0.03","2251.5","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Ag F6 N8 O4 Sb -","- C50 H30 Ag F6 N8 O4 Sb -","- C100 H60 Ag2 F12 N16 O8 Sb2 -","2","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.0826","0.0652","","","0.1875","0.209","","","","","","1.063","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507801","28.799","0.006","30.905","0.006","15.631","0.003","90","","90","","90","","13912","5","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C49 H27 Ag3 Cl3 N7 O14 -","- C48 H24 Ag3 N6 -","- C384 H192 Ag24 N48 -","8","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.1463","0.1107","","","0.3245","0.3522","","","","","","1.287","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507802","23.47","0.005","22.051","0.004","52.645","0.01","90","","90","","90","","27246","9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C116 H108 B2 Cu2 F8 N32 O40 -","- C96 H48 B2 Cu2 F8 N12 -","- C768 H384 B16 Cu16 F64 N96 -","8","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.0867","0.0765","","","0.2232","0.2338","","","","","","1.021","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507803","23.653","0.005","23.737","0.004","51.93","0.01","90","","90","","90","","29156","10","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C110 H90 Cu2 F12 N26 O28 P2 -","- C96 H48 Cu2 N12 -","- C768 H384 Cu16 N96 -","8","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.71073","synchrotron","","0.1779","0.1336","","","0.3397","0.359","","","","","","1.086","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507804","9.611","0.0019","14.831","0.003","16.74","0.003","74.76","0.03","75.04","0.03","81.55","0.03","2216.2","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 B Cu F4 N8 O4 -","- C50 H30 B Cu F4 N8 O4 -","- C100 H60 B2 Cu2 F8 N16 O8 -","2","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.0802","0.0738","","","0.1854","0.1909","","","","","","1.05","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507805","9.776","0.002","15.018","0.003","16.673","0.003","74.51","0.03","76.8","0.03","78.27","0.03","2270","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Cu F6 N8 O4 P -","- C50 H30 Cu F6 N8 O4 P -","- C100 H60 Cu2 F12 N16 O8 P2 -","2","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.0545","0.0499","","","0.1286","0.1325","","","","","","1.035","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507806","9.5896","0.0004","9.0386","0.0003","10.1964","0.0005","90","","110.845","0.005","90","","825.94","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolinium cocrystal of fumaric acid","S-Pyrrolidinium-2-carboxylate (2E)-but-2-enedioate (2:1)","","- C14 H22 N2 O8 -","- C14 H22 N2 O8 -","- C28 H44 N4 O16 -","2","1","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71073","MoKα","","0.0411","0.0357","","","0.0904","0.0931","","","","","","0.933","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507807","9.583","0.001","9.037","0.001","10.179","0.001","90","","110.837","0.009","90","","823.86","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-prolinium cocrystal of fumaric acid","R-pyrrolidinium-2-carboxylate(2E)-but-2-enedioate (1:1)","","- C14 H22 N2 O8 -","- C14 H22 N2 O8 -","- C28 H44 N4 O16 -","2","1","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71073","MoKα","","0.0611","0.0492","","","0.1229","0.1333","","","","","","1.053","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507808","17.2025","0.0006","9.7993","0.0003","27.6106","0.0019","90","","90","","90","","4654.4","0.4","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","DL-prolinium cocrystal of fumaric acid","RS-Pyrrolidinium-2-carboxylate (2E)-but-2-enedioate (2:1)","","- C14 H22 N2 O8 -","- C14 H22 N2 O8 -","- C168 H264 N24 O96 -","12","3","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71075","MoKα","","0.058","0.0463","","","0.1212","0.1291","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4507809","9.8307","0.0005","7.1796","0.0003","12.8464","0.0006","90","","99.217","0.005","90","","895","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-prolinamidium fumarate salt","2(R)-carbamoylpyrrolidinium-(2E)-3-carboxyprop-2-enoate hydrate (1:1:1)","","- C14 H26 N4 O7 -","- C14 H26 N4 O7 -","- C28 H52 N8 O14 -","2","1","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71073","MoKα","","0.0453","0.0404","","","0.0998","0.103","","","","","","1.1","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507810","7.8537","0.0006","7.9722","0.0005","16.0328","0.0018","81.018","0.009","77.284","0.008","66.562","0.005","895.78","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]- 2-pyridinecarboxylic acid","","- C20 H14 Cl2 F N O3 -","- C20 H14 Cl2 F N O3 -","- C40 H28 Cl4 F2 N2 O6 -","2","1","","Ismail, Salima Z.; Anderton, Clare L.; Copley, Royston C. B.; Price, Louise S.; Price, Sarah L.","Evaluating a Crystal Energy Landscape in the Context of Industrial Polymorph Screening","Crystal Growth & Design","2013","13","6","2396","","10.1021/cg400090r","","","0.71073","MoKα","","0.0743","0.0384","","","0.0764","0.0888","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507811","7.6611","0.0002","10.3298","0.0003","15.5587","0.0004","82.629","0.002","86.174","0.002","71.791","0.002","1159.49","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]- 2-pyridinecarboxylic acid, N-methyl-2-pyrrolidone solvate (1:1)","","- C25 H23 Cl2 F N2 O4 -","- C25 H23 Cl2 F N2 O4 -","- C50 H46 Cl4 F2 N4 O8 -","2","1","","Ismail, Salima Z.; Anderton, Clare L.; Copley, Royston C. B.; Price, Louise S.; Price, Sarah L.","Evaluating a Crystal Energy Landscape in the Context of Industrial Polymorph Screening","Crystal Growth & Design","2013","13","6","2396","","10.1021/cg400090r","","","1.54178","CuKα","","0.0302","0.0302","","","0.0789","0.0789","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507812","8.2693","0.0002","13.0633","0.0004","14.2559","0.0004","116.333","0.003","91.503","0.002","105.955","0.003","1307.25","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]- 2-pyridinecarboxylic acid, DMSO solvate (1:2)","","- C24 H26 Cl2 F N O5 S2 -","- C24 H26 Cl2 F N O5 S2 -","- C48 H52 Cl4 F2 N2 O10 S4 -","2","1","","Ismail, Salima Z.; Anderton, Clare L.; Copley, Royston C. B.; Price, Louise S.; Price, Sarah L.","Evaluating a Crystal Energy Landscape in the Context of Industrial Polymorph Screening","Crystal Growth & Design","2013","13","6","2396","","10.1021/cg400090r","","","1.54178","CuKα","","0.0285","0.0282","","","0.0794","0.0796","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507813","12.7841","0.0017","13.3928","0.0018","17.908","0.002","77.941","0.002","79.059","0.002","66.865","0.002","2737.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H73 Cu6 N12 O56 P5 W12 -","- C76 H62 Cu6 N12 O56 P5 W12 -","- C76 H62 Cu6 N12 O56 P5 W12 -","1","0.5","","Tripuramallu, Bharat Kumar; Das, Samar K.","Hydrothermal Synthesis and Structural Characterization of Metal Organophosphonate Oxide Materials: Role of Metal-Oxo Clusters in the Self Assembly of Metal Phosphonate Architectures","Crystal Growth & Design","2013","13","6","2426","","10.1021/cg4001347","","","0.71073","MoKα","","0.1035","0.0761","","","0.1582","0.1699","","","","","","1.128","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507814","8.006","0.0007","10.6191","0.0009","12.5398","0.0011","83.594","0.001","75.425","0.001","88.442","0.001","1025.34","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H19 Cu N2 O9 P2 V -","- C18 H18 Cu N2 O8.54 P2 V -","- C36 H36 Cu2 N4 O17.08 P4 V2 -","2","1","","Tripuramallu, Bharat Kumar; Das, Samar K.","Hydrothermal Synthesis and Structural Characterization of Metal Organophosphonate Oxide Materials: Role of Metal-Oxo Clusters in the Self Assembly of Metal Phosphonate Architectures","Crystal Growth & Design","2013","13","6","2426","","10.1021/cg4001347","","","0.71073","MoKα","","0.0377","0.0339","","","0.0884","0.0916","","","","","","0.853","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507815","16.673","0.002","11.8338","0.0015","21.255","0.003","90","","99.497","0.002","90","","4136.2","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 B4 N4 O8 -","- C36 H56 B4 N4 O8 -","- C144 H224 B16 N16 O32 -","4","0.5","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.1414","0.1183","","","0.2335","0.2448","","","","","","1.29","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507816","7.633","0.0007","8.0995","0.0007","11.3942","0.001","90","","90","","90","","704.43","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 B N O2 -","- C7 H8 B N O2 -","- C28 H32 B4 N4 O8 -","4","1","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0418","0.0406","","","0.1016","0.1021","","","","","","1.474","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507817","15.28","0.003","6.9985","0.0015","9.377","0.002","90","","93.884","0.004","90","","1000.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H14 B N O2 -","- C9 H14 B N O2 -","- C36 H56 B4 N4 O8 -","4","0.5","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0548","0.0496","","","0.1046","0.1075","","","","","","1.113","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507818","7.2516","0.0016","9.63","0.002","18.953","0.004","90","","90","","90","","1323.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 B N O4 -","- C13 H16 B N O4 -","- C52 H64 B4 N4 O16 -","4","1","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0427","0.0358","","","0.1014","0.106","","","","","","1.087","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507819","7.8233","0.0013","11.795","0.002","11.5767","0.0019","90","","95.779","0.003","90","","1062.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 B N O2 -","- C12 H12 B N O2 -","- C48 H48 B4 N4 O8 -","4","1","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0523","0.046","","","0.1046","0.1085","","","","","","1.079","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507820","15.4331","0.0016","12.9048","0.0013","15.7762","0.0016","90","","90","","90","","3142","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H24 Cu N2 O8 -","- C38 H24 Cu N2 O8 -","- C152 H96 Cu4 N8 O32 -","4","0.5","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0532","0.0349","","","0.0693","0.0751","","","","","","1.004","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507821","12.426","0.008","12.012","0.008","10.386","0.007","90","","107.141","0.012","90","","1481.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Co N O4 -","- C19 H11 Co N O4 -","- C76 H44 Co4 N4 O16 -","4","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0927","0.0556","","","0.1376","0.1678","","","","","","0.999","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507822","12.5108","0.0005","19.1026","0.0008","8.6495","0.0003","90","","100.952","0.001","90","","2029.48","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Co N6 O8 -","- C50 H34 Co N6 O8 -","- C100 H68 Co2 N12 O16 -","2","0.5","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0314","0.027","","","0.0702","0.0735","","","","","","0.995","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507823","13.4374","0.0006","16.6277","0.0007","13.6645","0.0006","90","","95.379","0.001","90","","3039.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Co N5 O6 -","- C33 H29 Co N5 O6 -","- C132 H116 Co4 N20 O24 -","4","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.061","0.0392","","","0.1041","0.1175","","","","","","1.001","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507824","10.99","0.003","16.233","0.004","18.276","0.004","90","","96.617","0.004","90","","3238.7","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Cu N5 O6 -","- C33 H29 Cu N5 O6 -","- C132 H116 Cu4 N20 O24 -","4","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.1124","0.0783","","","0.2563","0.3027","","","","","","0.996","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507825","10.741","0.002","15.253","0.003","19.025","0.004","90","","98.161","0.004","90","","3085.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N5 Ni O6 -","- C33 H29 N5 Ni O6 -","- C132 H116 N20 Ni4 O24 -","4","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0816","0.0508","","","0.1271","0.1473","","","","","","0.997","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507826","9.5305","0.0014","9.8936","0.0014","16.379","0.002","90","","98.188","0.002","90","","1528.6","0.4","273","2","273","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C37 H25 Co N5 O4 -","- C37 H25 Co N5 O4 -","- C74 H50 Co2 N10 O8 -","2","0.5","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0581","0.0432","","","0.1093","0.1208","","","","","","1.003","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507827","9.37","0.004","12.462","0.006","16.242","0.007","102.593","0.009","95.875","0.008","105.085","0.008","1761.5","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Co N5 O6 -","- C37 H30 Co N5 O6 -","- C74 H60 Co2 N10 O12 -","2","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.1017","0.0874","","","0.1376","0.1577","","","","","","1.004","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507828","10.496","0.003","16.263","0.004","19.895","0.005","70.954","0.004","81.123","0.005","87.101","0.004","3171.6","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H58 N9 Ni2 O8 -","- C78 H58 N10 Ni2 O8 -","- C156 H116 N20 Ni4 O16 -","2","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.1149","0.0684","","","0.1743","0.2029","","","","","","1.001","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507829","16.337","0.003","12.91","0.002","20.112","0.004","90","","109.601","0.003","90","","3996","1.2","273","2","273","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H76 Cl2 Cu8 La2 N4 O63 S4 -","- C28 H56 Cl2 Cu8 La2 N4 O63 S4 -","- C56 H112 Cl4 Cu16 La4 N8 O126 S8 -","2","0.5","","Zhang, Han; Zhuang, Gui-Lin; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, Structures, and Magnetic Properties of Three Decanuclear Ln2Cu8Clusters of Alkylsulfonate","Crystal Growth & Design","2013","13","6","2493","","10.1021/cg400206s","","","0.71073","MoKα","","0.0754","0.0724","","","0.184","0.1865","","","","","","1.084","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507830","16.055","0.003","13.127","0.003","19.94","0.004","90","","109.1","0.03","90","","3971.1","1.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H102 Cl2 Cu8 Gd2 N4 O63 S4 -","- C28 H52 Cl2 Cu8 Gd2 N4 O63 S4 -","- C56 H104 Cl4 Cu16 Gd4 N8 O126 S8 -","2","0.5","","Zhang, Han; Zhuang, Gui-Lin; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, Structures, and Magnetic Properties of Three Decanuclear Ln2Cu8Clusters of Alkylsulfonate","Crystal Growth & Design","2013","13","6","2493","","10.1021/cg400206s","","","0.71073","MoKα","","0.0795","0.0587","","","0.148","0.1662","","","","","","1.005","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507831","16.119","0.003","13.126","0.003","19.973","0.004","90","","109.51","0.03","90","","3983.2","1.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H102 Cl2 Cu8 Dy2 N4 O63 S4 -","- C28 H52 Cl2 Cu8 Dy2 N4 O63 S4 -","- C56 H104 Cl4 Cu16 Dy4 N8 O126 S8 -","2","0.5","","Zhang, Han; Zhuang, Gui-Lin; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, Structures, and Magnetic Properties of Three Decanuclear Ln2Cu8Clusters of Alkylsulfonate","Crystal Growth & Design","2013","13","6","2493","","10.1021/cg400206s","","","0.71073","MoKα","","0.0977","0.0708","","","0.1777","0.2048","","","","","","1.083","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507832","11.958","0.002","24.461","0.005","15.593","0.006","90","","127.316","0.019","90","","3627.4","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H86 Cl2 N26 Na2 O35 -","- C52 H86 Cl2 N26 Na2 O35 -","- C104 H172 Cl4 N52 Na4 O70 -","2","0.5","","Chen, Wen-jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A Dihalide‒Decahydrate Cluster of [X2(H2O)10]2‒in a Supramolecular Architecture of {[Na2(H2O)6(H2O@TMEQ[6])]·2(C6H5NO3)}X2(H2O)10(TMEQ[6] = α,α′,δ,δ′-Tetramethylcucurbit[6]uril; X = Cl, Br)","Crystal Growth & Design","2013","13","6","2507","","10.1021/cg400227k","","","0.71073","MoKα","","0.0393","0.0362","","","0.0952","0.097","","","","","","1.063","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507833","11.9767","0.0003","24.3621","0.0007","12.6637","0.0003","90","","101.163","0.003","90","","3625.08","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H86 Br2 N26 Na2 O35 -","- C52 H86 Br2 N26 Na2 O35 -","- C104 H172 Br4 N52 Na4 O70 -","2","0.5","","Chen, Wen-jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A Dihalide‒Decahydrate Cluster of [X2(H2O)10]2‒in a Supramolecular Architecture of {[Na2(H2O)6(H2O@TMEQ[6])]·2(C6H5NO3)}X2(H2O)10(TMEQ[6] = α,α′,δ,δ′-Tetramethylcucurbit[6]uril; X = Cl, Br)","Crystal Growth & Design","2013","13","6","2507","","10.1021/cg400227k","","","0.71073","MoKα","","0.0895","0.0767","","","0.2138","0.2226","","","","","","1.07","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507834","11.538","0.002","15.625","0.003","16.875","0.003","116.83","0.03","105.51","0.03","91.18","0.03","2580.3","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H108 F2 N32 Na2 O48 -","- C88 H108 F2 N32 Na2 O48 -","- C88 H108 F2 N32 Na2 O48 -","1","0.5","","Chen, Wen-jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A Dihalide‒Decahydrate Cluster of [X2(H2O)10]2‒in a Supramolecular Architecture of {[Na2(H2O)6(H2O@TMEQ[6])]·2(C6H5NO3)}X2(H2O)10(TMEQ[6] = α,α′,δ,δ′-Tetramethylcucurbit[6]uril; X = Cl, Br)","Crystal Growth & Design","2013","13","6","2507","","10.1021/cg400227k","","","0.71073","MoKα","","0.0644","0.0569","","","0.169","0.175","","","","","","1.04","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507835","19.913","0.004","16.786","0.003","15.83","0.003","90","","101.76","0.03","90","","5180.3","1.8","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H57 B Cu2 F12 N10 P2 S3 W -","- C38 H57 B Cu2 F12 N10 P2 S3 W -","- C152 H228 B4 Cu8 F48 N40 P8 S12 W4 -","4","1","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.0563","0.0436","","","0.0959","0.1039","","","","","","1.069","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507836","13.179","0.003","19.463","0.004","17.204","0.003","90","","103.49","0.03","90","","4291.1","1.6","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 B Cu2 F6 N11 P S3 W -","- C34 H40 B Cu2 F6 N11 P S3 W -","- C136 H160 B4 Cu8 F24 N44 P4 S12 W4 -","4","1","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.1041","0.0774","","","0.1124","0.1225","","","","","","1.171","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507837","13.682","0.003","17.344","0.003","20.525","0.004","90","","105.99","0.03","90","","4682.2","1.7","223","2","223","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 B Cu2 F6 N10 O P S3 W -","- C36 H47 B Cu2 F6 N10 O P S3 W -","- C144 H188 B4 Cu8 F24 N40 O4 P4 S12 W4 -","4","1","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.0855","0.054","","","0.1207","0.1406","","","","","","0.99","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507838","18.016","0.004","11.681","0.002","29.185","0.006","90","","99.71","0.03","90","","6054","2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H29 B Cu2 N9 S3 W -","- C23 H26 B Cu2 N9 S3 W -","- C184 H208 B8 Cu16 N72 S24 W8 -","8","1","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.0607","0.0382","","","0.0805","0.091","","","","","","1.02","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507839","30.404","0.006","19.657","0.004","19.683","0.004","90","","127.63","0.03","90","","9316","5","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H83 B2 Cu6 N23 S6 W2 -","- C55 H74 B2 Cu6 N20 S6 W2 -","- C220 H296 B8 Cu24 N80 S24 W8 -","4","0.5","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.0963","0.069","","","0.1718","0.1855","","","","","","1.18","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507840","18.686","0.007","17.255","0.007","18.508","0.007","90","","111.687","0.008","90","","5545","4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H40 Mo6 N2 Na4 O43 P4 -","- C14 H14 Mo6 N2 Na4 O43.01 P4 -","- C56 H56 Mo24 N8 Na16 O172.04 P16 -","4","1","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Assembly of Dimeric and Tetrameric Complexes of Polyoxomolybdobisphosphonates Built from [(Mo3O8){O3PC(O)(CH2-3-C5NH5)PO3}]2‒Subunits","Crystal Growth & Design","2013","13","6","2540","","10.1021/cg400292g","","","0.71073","MoKα","","0.0811","0.0585","","","0.167","0.1807","","","","","","1.047","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507841","17.799","0.003","17.815","0.003","19.653","0.003","92.461","0.003","90.371","0.002","117.609","0.002","5514.6","1.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H94 Mo12 N4 Na8 O90 P8 -","- C28 H28 Mo12 N4 Na8 O90 P8 -","- C56 H56 Mo24 N8 Na16 O180 P16 -","2","1","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Assembly of Dimeric and Tetrameric Complexes of Polyoxomolybdobisphosphonates Built from [(Mo3O8){O3PC(O)(CH2-3-C5NH5)PO3}]2‒Subunits","Crystal Growth & Design","2013","13","6","2540","","10.1021/cg400292g","","","0.71073","MoKα","","0.0728","0.0491","","","0.1342","0.1465","","","","","","1.065","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507842","10.5817","0.0008","10.3447","0.0005","15.3496","0.0011","90","","102.719","0.007","90","","1639.01","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N2 O5 -","- C16 H24 N2 O5 -","- C64 H96 N8 O20 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","","","0.71073","MoKα","","0.1286","0.0791","","","0.1366","0.1561","","","","","","1.115","","","","has coordinates","211135","2020-10-21","18:00:00",""
"4507843","10.486","","12.302","","15.444","","74.81","","87.5","","89.97","","1920.7","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H26 N2 O5 -","- C17 H23 N2 O5 -","- C68 H92 N8 O20 -","4","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","","","0.71073","MoKα","","0.1612","0.0898","","","0.2745","0.362","","","","","","1.063","","","","has coordinates","211135","2020-10-21","18:00:00",""
"4507844","10.442","0.005","10.962","0.005","16.273","0.005","90","0.005","90","0.005","90","0.005","1862.7","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","","","0.71073","MoKα","","0.2186","0.087","","","0.1423","0.1901","","","","","","1.033","","","","has coordinates","211135","2020-10-21","18:00:00",""
"4507845","7.6283","0.0002","10.8525","0.0002","12.901","0.0003","114.352","0.001","94.039","0.001","91.236","0.001","969.08","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O15 Pb3 -","- C12 H12 O15 Pb3 -","- C24 H24 O30 Pb6 -","2","1","","Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.","Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties","Crystal Growth & Design","2013","13","6","2573","","10.1021/cg400340y","","","0.71073","MoKα","","0.0294","0.0276","","","0.0675","0.0683","","","","","","1.135","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507846","10.253","0.002","20.192","0.004","8.337","0.002","90","","117.41","0.01","90","","1532.2","0.6","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O5 Pb -","- C16 H12 N2 O5 Pb -","- C64 H48 N8 O20 Pb4 -","4","0.5","","Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.","Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties","Crystal Growth & Design","2013","13","6","2573","","10.1021/cg400340y","","","0.71073","MoKα","","0.0286","0.0285","","","0.0722","0.0723","","","","","","1.16","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507847","19.2945","0.0016","9.0591","0.0005","7.5483","0.0004","90","","90","","90","","1319.37","0.15","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C4 H4 O4 Pb S -","- C4 H4 O4 Pb S -","- C32 H32 O32 Pb8 S8 -","8","1","","Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.","Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties","Crystal Growth & Design","2013","13","6","2573","","10.1021/cg400340y","","","0.71073","MoKα","","0.0311","0.0296","","","0.0667","0.0675","","","","","","1.042","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507848","8.3461","0.0002","8.7744","0.0002","10.9103","0.0002","76.023","0.001","80.584","0.001","77.734","0.001","752.3","0.03","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 N2 O4 Pb S -","- C16 H12 N2 O4 Pb S -","- C32 H24 N4 O8 Pb2 S2 -","2","1","","Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.","Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties","Crystal Growth & Design","2013","13","6","2573","","10.1021/cg400340y","","","0.71073","MoKα","","0.0163","0.0149","","","0.0339","0.0344","","","","","","1.086","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507849","10.3295","0.0001","10.3295","0.0001","28.5612","0.0003","90","","90","","120","","2639.16","0.05","150","","150","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C10 H20 N2 O13 U -","- C10 H16 N2 O13 U -","- C60 H96 N12 O78 U6 -","6","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0444","0.0294","","","0.0693","0.0735","","","","","","1.012","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507850","10.4183","0.0001","10.4183","0.0001","28.6329","0.0003","90","","90","","120","","2691.47","0.05","290","2","290","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C10 H20 N2 O13 U -","- C10 H16 N2 O13 U -","- C60 H96 N12 O78 U6 -","6","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0449","0.0286","","","0.0596","0.0635","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507851","20.9389","0.0004","9.4763","0.0002","14.778","0.0004","90","","122.969","0.0009","90","","2460.11","0.1","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 N2 O20 U2 -","- C12 H22 N2 O20 U2 -","- C48 H88 N8 O80 U8 -","4","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.05","0.0267","","","0.0468","0.0501","","","","","","0.921","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507852","7.6069","0.0003","7.8388","0.0003","16.1897","0.0007","79.005","0.001","80.984","0.001","79.579","0.002","924.53","0.06","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H22 N2 O15 U -","- C8 H22 N2 O15 U -","- C16 H44 N4 O30 U2 -","2","1","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0554","0.0419","","","0.0917","0.0959","","","","","","1.034","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507853","7.7272","0.0001","8.7359","0.0002","16.2612","0.0003","90","","102.384","0.0008","90","","1072.15","0.03","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N2 O20 U2 -","- C10 H20 N2 O20 U2 -","- C20 H40 N4 O40 U4 -","2","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0335","0.0256","","","0.0618","0.0639","","","","","","1.019","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507854","24.807","0.004","13.6667","0.0019","14.224","0.002","90","","100.195","0.009","90","","4746.2","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 Er6 N5 O32 -","- C35 H25 Er6 N5 O32 -","- C140 H100 Er24 N20 O128 -","4","1","","Silva, Patrícia; Cunha-Silva, Luís; Silva, Nuno J. O.; Rocha, João; Paz, Filipe A. Almeida","Metal‒Organic Frameworks Assembled From Erbium Tetramers and 2,5-Pyridinedicarboxylic Acid","Crystal Growth & Design","2013","13","6","2607","","10.1021/cg400369a","","","0.71073","MoKα","","0.0635","0.0426","","","0.0838","0.0908","","","","","","1.066","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507855","13.2964","0.0008","7.0927","0.0004","27.3093","0.0015","90","","90","","90","","2575.5","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H9 Cl Er3 N O10 -","- C7 H9 Cl Er3 N O10 -","- C56 H72 Cl8 Er24 N8 O80 -","8","1","","Silva, Patrícia; Cunha-Silva, Luís; Silva, Nuno J. O.; Rocha, João; Paz, Filipe A. Almeida","Metal‒Organic Frameworks Assembled From Erbium Tetramers and 2,5-Pyridinedicarboxylic Acid","Crystal Growth & Design","2013","13","6","2607","","10.1021/cg400369a","","","0.71073","MoKα","","0.0894","0.055","","","0.1214","0.1343","","","","","","1.181","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507856","29.411","0.004","24.104","0.007","5.966","0.005","90","","100.043","0.005","90","","4165","4","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C44 H32 O10 Zn3 -","- C44 H32 O10 Zn3 -","- C88 H64 O20 Zn6 -","2","0.25","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.1052","0.0799","","","0.2025","0.2147","","","","","","0.917","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507857","9.728","0.004","11.672","0.005","14.554","0.005","93.466","0.005","96.367","0.005","93.175","0.005","1636.1","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O4 Zn -","- C30 H26 N2 O4 Zn -","- C60 H52 N4 O8 Zn2 -","2","1","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.0617","0.0523","","","0.1407","0.1563","","","","","","1.076","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507858","10.547","0.005","19.841","0.005","14.599","0.005","90","","102.868","0.005","90","","2978.3","1.9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H21 N O4 Zn -","- C27 H21 N O4 Zn -","- C108 H84 N4 O16 Zn4 -","4","0.5","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.1231","0.0884","","","0.2161","0.2492","","","","","","0.986","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507859","13.887","0.005","9.302","0.004","32.649","0.005","90","","90","","90","","4217","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N O4 Zn -","- C24 H22 N O4 Zn -","- C192 H176 N8 O32 Zn8 -","8","1","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.0561","0.0472","","","0.1253","0.1335","","","","","","1.053","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507860","40.205","0.005","6.984","0.007","26.098","0.005","90","","118.408","0.005","90","","6446","7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H58 O19 Pb4 -","- C70 H58 O19 Pb4 -","- C280 H232 O76 Pb16 -","4","0.5","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.029","0.0244","","","0.0582","0.0599","","","","","","1.042","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507861","35.402","0.005","15.813","0.006","11.424","0.005","90","","90.361","0.005","90","","6395","4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C66 H48 O13 Pb3 -","- C66 H48 O13 Pb3 -","- C264 H192 O52 Pb12 -","4","1","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.0306","0.03","","","0.0755","0.076","","","","","","1.088","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507862","12.287","0.008","12.916","0.008","18.199","0.012","86.733","0.008","70.443","0.008","80.146","0.008","2681","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H23 Cl3 Cu3 F6 N10 O7 S2 -","- C31 H23 Cl3 Cu3 F6 N10 O7 S2 -","- C62 H46 Cl6 Cu6 F12 N20 O14 S4 -","2","1","","Mathivathanan, Logesh; Torres-King, Jorge; Primera-Pedrozo, José N.; García-Ricard, Omar J.; Hernández-Maldonado, Arturo J.; Santana, Juan A.; Raptis, Raphael G.","Selective CO2Adsorption on Metal-Organic Frameworks Based on Trinuclear Cu3-Pyrazolato Complexes: An Experimental and Computational Study","Crystal Growth & Design","2013","13","6","2628","","10.1021/cg400382k","","","0.71073","MoKα","","0.2145","0.1718","","","0.4152","0.4365","","","","","","1.368","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507863","10.6341","0.0001","10.7671","0.0001","12.3771","0.0001","67.066","0.008","83.639","0.012","73.758","0.01","1253.05","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Co N4 O5 -","- C27 H24 Co N4 O5 -","- C54 H48 Co2 N8 O10 -","2","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.0599","0.0471","","","0.1116","0.1196","","","","","","1.055","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507864","19.708","0.002","24.955","0.003","35.224","0.004","90","","90","","90","","17324","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C93 H90 N14 Ni2 O10 -","- C93 H90 N14 Ni2 O10 -","- C744 H720 N112 Ni16 O80 -","8","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.103","0.0722","","","0.1645","0.1833","","","","","","0.992","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507865","8.5216","0.0006","30.4113","0.0015","11.6223","0.0009","90","","105.554","0.003","90","","2901.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N5 O5 Zn -","- C30 H29 N5 O5 Zn -","- C120 H116 N20 O20 Zn4 -","4","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.1276","0.0698","","","0.1642","0.1966","","","","","","1.011","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507866","9.479","0.004","11.835","0.005","12.798","0.005","67.543","0.011","76.936","0.015","74.777","0.015","1267.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Cl2 N4 Ni O5 -","- C27 H22 Cl2 N4 Ni O5 -","- C54 H44 Cl4 N8 Ni2 O10 -","2","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.0732","0.0451","","","0.0801","0.0892","","","","","","0.971","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507867","9.503","0.003","11.88","0.003","12.818","0.003","67.556","0.009","76.977","0.009","74.837","0.008","1278.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Cl2 Co N4 O5 -","- C27 H22 Cl2 Co N4 O5 -","- C54 H44 Cl4 Co2 N8 O10 -","2","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.0598","0.0401","","","0.0739","0.0783","","","","","","0.926","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507868","5.703","0.005","10.623","0.01","29.89","0.03","90","","90","","90","","1811","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Cd N6 O8 S -","- C12 H10 Cd N6 O8 S -","- C48 H40 Cd4 N24 O32 S4 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.0264","0.0258","","","0.0689","0.0695","","","","","","1.143","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507869","17.211","0.002","22.975","0.003","7.2785","0.001","90","","90","","90","","2878.1","0.6","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H20 Cu3 N15 -","- C27 H20 Cu3 N15 -","- C108 H80 Cu12 N60 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.0678","0.0416","","","0.0842","0.0969","","","","","","1.024","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507870","6.8486","0.0012","13.2","0.002","23.247","0.004","90","","90","","90","","2101.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Cd N3 O5 -","- C22 H25 Cd N3 O5 -","- C88 H100 Cd4 N12 O20 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.034","0.0313","","","0.0611","0.0631","","","","","","1.093","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507871","17.687","0.003","12.908","0.002","13.411","0.002","90","","111.402","0.002","90","","2850.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Co N3 O6 -","- C32 H28 Co N3 O6 -","- C128 H112 Co4 N12 O24 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.1968","0.1071","","","0.3241","0.3819","","","","","","1.11","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507872","6.639","0.005","18.167","0.013","9.773","0.007","90","","96.891","0.008","90","","1170.2","1.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H26 Cd N6 O4 -","- C22 H26 Cd N6 O4 -","- C44 H52 Cd2 N12 O8 -","2","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.0495","0.048","","","0.1162","0.1176","","","","","","1.094","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507873","10.5112","0.0015","14.073","0.002","13.283","0.002","90","","97.94","0.002","90","","1946","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cd2 N6 O8 -","- C38 H44 Cd2 N6 O8 -","- C76 H88 Cd4 N12 O16 -","2","0.5","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.1383","0.0924","","","0.1817","0.1992","","","","","","0.994","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507874","18.2679","0.0003","18.2679","0.0003","15.9522","0.0005","90","","90","","90","","5323.5","0.2","180","2","180","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C24 H18 Cu F6 N4 O4 Si -","- C24 H18 Cu F6 N4 O4 Si -","- C96 H72 Cu4 F24 N16 O16 Si4 -","4","0.25","","Xiong, Shunshun; He, Yabing; Krishna, Rajamani; Chen, Banglin; Wang, Zhiyong","Metal‒Organic Framework with Functional Amide Groups for Highly Selective Gas Separation","Crystal Growth & Design","2013","13","6","2670","","10.1021/cg4004438","","","1.54184","CuKα","","0.0943","0.0812","","","0.2189","0.228","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507875","25.2913","0.0014","33.509","0.0016","18.681","0.0013","90","","90","","90","","15831.9","1.6","291","2","291","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C63 H39 Cu6 N3 O30 -","- C63 H39 Cu6 N3 O30 -","- C252 H156 Cu24 N12 O120 -","4","0.25","","Lu, Zhiyong; Du, Liting; Tang, Kuanzhen; Bai, Junfeng","High H2and CH4Adsorption Capacity of a Highly Porous (2,3,4)-Connected Metal‒Organic Framework","Crystal Growth & Design","2013","13","6","2252","","10.1021/cg400449c","","","0.71073","MoKα","","0.0609","0.0485","","","0.119","0.1205","","","","","","1.008","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507876","20.447","0.004","9.0676","0.0015","14.438","0.003","90","","99.704","0.013","90","","2638.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H27 Cl4 K O10 -","- C16 H27 Cl4.01 K O10 -","- C64 H108 Cl16.04 K4 O40 -","4","0.5","","Li, Shigeng; Luo, Junhua; Sun, Zhihua; Zhang, Shuquan; Li, Lina; Shi, Xiaojun; Hong, Maochun","Phase Transition Triggered by Ordering of Unique Pendulum-Like Motions in a Supramolecular Complex: Potassium Hydrogen Bis(dichloroacetate)-18-Crown-6","Crystal Growth & Design","2013","13","6","2675","","10.1021/cg4004565","","","0.71073","MoKα","","0.0784","0.0467","","","0.1247","0.14","","","","","","0.983","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507877","28.521","0.015","17.446","0.007","22.87","0.011","90","","118.084","0.007","90","","10040","8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H108 Cl16 K4 O40 -","- C64 H108 Cl16 K4 O40 -","- C256 H432 Cl64 K16 O160 -","4","0.5","","Li, Shigeng; Luo, Junhua; Sun, Zhihua; Zhang, Shuquan; Li, Lina; Shi, Xiaojun; Hong, Maochun","Phase Transition Triggered by Ordering of Unique Pendulum-Like Motions in a Supramolecular Complex: Potassium Hydrogen Bis(dichloroacetate)-18-Crown-6","Crystal Growth & Design","2013","13","6","2675","","10.1021/cg4004565","","","0.71073","MoKα","","0.1275","0.089","","","0.2748","0.3172","","","","","","1.091","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507878","9.037","0.003","19.075","0.005","13.32","0.004","90","","98.377","0.005","90","","2271.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N O4 -","- C27 H27 N O4 -","- C108 H108 N4 O16 -","4","1","","Mehta, Saurabh; Waldo, Jesse P.; Neuenswander, Benjamin; Lushington, Gerald H.; Larock, Richard C.","Solution-Phase Parallel Synthesis of a Multisubstituted Cyclic Imidate Library","ACS Combinatorial Science","2013","15","5","247","","10.1021/co3001605","","","0.71073","MoKα","","0.0741","0.0488","","","0.1141","0.1278","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507879","11.5599","0.0011","11.5774","0.0012","11.8719","0.0012","87.024","0.007","84.869","0.007","60.309","0.006","1374.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N5 O5 -","- C28 H33 N5 O5 -","- C56 H66 N10 O10 -","2","1","","Li, Chao; Mu, Xing-Ye; Li, Yu-Ling; Liu, Yun; Wang, Xiang-Shan","Combinatorial Synthesis of Fused Tetracyclic Heterocycles Containing [1,6]Naphthyridine Derivatives under Catalyst Free Conditions","ACS Combinatorial Science","2013","15","5","267","","10.1021/co400020w","","","0.71073","MoKα","","0.088","0.0517","","","0.1354","0.156","","","","","","1.02","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507880","10.7946","0.0003","11.2049","0.0004","12.5004","0.0004","94.181","0.002","97.556","0.002","112.765","0.002","1369.33","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H31 N5 O6 -","- C28 H31 N5 O6 -","- C56 H62 N10 O12 -","2","1","","Li, Chao; Mu, Xing-Ye; Li, Yu-Ling; Liu, Yun; Wang, Xiang-Shan","Combinatorial Synthesis of Fused Tetracyclic Heterocycles Containing [1,6]Naphthyridine Derivatives under Catalyst Free Conditions","ACS Combinatorial Science","2013","15","5","267","","10.1021/co400020w","","","0.71073","MoKα","","0.1166","0.0614","","","0.1467","0.1735","","","","","","1.009","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507881","19.5432","0.001","27.2305","0.0014","23.3159","0.0012","90","","99.748","0.001","90","","12228.9","1.1","90","","90","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 Cl2 F12 N10 O4 P2 Ru2 -","- C60 H49 Cl2 F12 N10 O4 P2 Ru2 -","- C480 H392 Cl16 F96 N80 O32 P16 Ru16 -","8","1","","Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki","Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines","ACS Catalysis","2013","3","5","812","","10.1021/cs300811w","","","0.71073","MoKα","","","0.0338","","","","0.0869","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507882","11.4748","0.0018","22.961","0.004","11.4873","0.0017","90","","95.161","0.002","90","","3014.3","0.8","296.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl F6 N4 O2 P Ru -","- C30 H18 Cl F6 N4 O2 P Ru -","- C120 H72 Cl4 F24 N16 O8 P4 Ru4 -","4","1","","Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki","Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines","ACS Catalysis","2013","3","5","812","","10.1021/cs300811w","","","0.71069","MoKα","","","0.1287","","","","0.3423","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507883","8.6237","0.0008","30.965","0.003","11.965","0.0011","90","","109.38","0.001","90","","3014","0.5","90","","90","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Cl F9 N5 P Ru -","- C29 H21 Cl F9 N5 P Ru -","- C116 H84 Cl4 F36 N20 P4 Ru4 -","4","1","","Aiki, Shota; Kijima, Yuhei; Kuwabara, Junpei; Taketoshi, Ayako; Koizumi, Take-aki; Akine, Shigehisa; Kanbara, Takaki","Ligand Modification of Cyclometalated Ruthenium Complexes in the Aerobic Oxidative Dehydrogenation of Imidazolines","ACS Catalysis","2013","3","5","812","","10.1021/cs300811w","","","0.71069","MoKα","","","0.0442","","","","0.1203","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507884","59.367","0.007","4.7106","0.0005","39.948","0.004","90","","103.16","0.004","90","","10878","2","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 N6 O2 -","- C30 H22 N6 O2 -","- C360 H264 N72 O24 -","12","1.5","","Lee, Sumi; Oh, Seungwhan; Lee, Joosub; Malpani, Yashwardhan; Jung, Young-Sik; Kang, Baotao; Lee, Jin Yong; Ozasa, Kazunari; Isoshima, Takashi; Lee, Sang Yun; Hara, Masahiko; Hashizume, Daisuke; Kim, Jong-Man","Stimulus-responsive azobenzene supramolecules: fibers, gels, and hollow spheres.","Langmuir : the ACS journal of surfaces and colloids","2013","29","19","5869","5877","10.1021/la400159m","","","0.71073","MoKα","","0.23","0.105","","","0.2511","0.2858","","","","","","0.793","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4507885","10.4949","0.003","10.8924","0.0028","16.581","0.004","90","","90","","90","","1895.5","0.9","295","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 O5 -","- C18 H28 N2 O5 -","- C72 H112 N8 O20 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","powder diffraction","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","211135","2020-10-21","18:00:00",""
"4507886","12.6505","0.0015","14.1353","0.0017","19.489","0.002","90","","90","","90","","3485","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N3 O4 S -","- C19 H15 N3 O4 S -","- C152 H120 N24 O32 S8 -","8","2","","McNeil, S. Keith; Kelley, Steven P.; Beg, Cameran; Cook, Hamilton; Rogers, Robin D.; Nikles, David E.","Cocrystals of 10-Methylphenthiazine and 1,3-Dinitrobenzene: Implications for the Optical Sensing of TNT-Based Explosives.","ACS applied materials & interfaces","2013","5","15","7647","7653","10.1021/am401961s","","","0.71073","MoKα","","0.1101","0.047","","","0.0695","0.0842","","","","","","0.952","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507887","4.7301","0.0001","9.5656","0.0002","14.3224","0.0004","90","","98.6768","0.001","90","","640.62","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0458","0.0384","","","0.0953","0.0995","","","","","","1.065","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507888","4.7396","0.0001","9.5921","0.0002","14.3534","0.0004","90","","98.4903","0.0011","90","","645.39","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0542","0.0407","","","0.0988","0.1056","","","","","","1.061","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507889","4.7492","0.0001","9.621","0.0003","14.3919","0.0005","90","","98.2103","0.0011","90","","650.86","0.03","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0511","0.0405","","","0.1004","0.1061","","","","","","1.068","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507890","4.7701","0.0002","9.6744","0.0004","14.4676","0.0007","90","","97.6626","0.0014","90","","661.69","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0586","0.0414","","","0.0988","0.1082","","","","","","1.046","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507891","10.7404","0.0006","5.7942","0.0003","11.8545","0.0007","90","","98.198","0.002","90","","730.19","0.07","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","0.5","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0833","0.0482","","","0.1165","0.1343","","","","","","1.033","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507892","7.6206","0.0004","10.3117","0.0005","12.7045","0.0006","105.223","0.003","103.786","0.002","105.348","0.002","876.66","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0637","0.0446","","","0.1116","0.1242","","","","","","1.015","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507893","7.626","0.0004","10.3519","0.0005","12.7515","0.0007","105.607","0.003","103.541","0.002","105.414","0.002","882.57","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0723","0.0465","","","0.115","0.1309","","","","","","1.017","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507894","7.6347","0.0004","10.3966","0.0006","12.8041","0.0008","106.014","0.003","103.294","0.002","105.487","0.003","889.41","0.09","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0799","0.0484","","","0.1166","0.1356","","","","","","1.019","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507895","7.6518","0.0004","10.4725","0.0006","12.9054","0.0008","106.787","0.003","102.854","0.002","105.731","0.003","900.81","0.09","275","","275","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0855","0.0501","","","0.1148","0.1363","","","","","","1.034","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507896","7.6609","0.0007","10.494","0.001","13.015","0.0015","110.783","0.003","98.717","0.003","105.803","0.004","904.73","0.16","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0858","0.0524","","","0.123","0.1477","","","","","","1.037","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507897","7.6773","0.0002","9.8885","0.0002","12.6815","0.0004","101.432","0.001","97.4697","0.001","103.562","0.0011","901.46","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C46 H32 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0576","0.0436","","","0.1187","0.1306","","","","","","1.031","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507898","7.6863","0.0002","9.9399","0.0003","12.7007","0.0004","101.276","0.0012","97.5236","0.0011","103.585","0.0012","908.93","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C46 H32 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0653","0.0469","","","0.1254","0.14","","","","","","1.038","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507899","7.694","0.0002","9.9957","0.0003","12.7215","0.0004","101.109","0.0011","97.6114","0.001","103.613","0.0013","916.71","0.05","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C46 H32 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0726","0.0488","","","0.1284","0.1468","","","","","","1.038","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507900","7.7042","0.0002","10.1234","0.0002","12.7638","0.0004","100.735","0.001","97.817","0.001","103.649","0.001","933.4","0.04","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C46 H32 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0849","0.0524","","","0.1253","0.15","","","","","","1.027","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507901","7.6982","0.0002","9.8709","0.0002","12.5206","0.0003","100.783","0.001","96.712","0.001","104.231","0.001","892.59","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl N4 O -","- C22 H13 Cl N4 O -","- C44 H26 Cl2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0631","0.0405","","","0.0984","0.1091","","","","","","1.019","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507902","7.7418","0.0003","10.1126","0.0003","12.6336","0.0005","100.544","0.0015","97.1909","0.0016","104.797","0.0013","924.63","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl N4 O -","- C22 H13 Cl N4 O -","- C44 H26 Cl2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0724","0.0433","","","0.1015","0.1195","","","","","","1.011","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507903","17.5156","0.0003","8.0097","0.0001","18.5347","0.0004","90","","112.379","0.0008","90","","2404.48","0.07","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H18 N6 O -","- C32 H18 N6 O -","- C128 H72 N24 O4 -","4","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0627","0.0457","","","0.1167","0.1274","","","","","","1.037","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507904","17.7643","0.0004","8.0282","0.0002","18.5926","0.0007","90","","111.596","0.001","90","","2465.45","0.13","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H18 N6 O -","- C32 H18 N6 O -","- C128 H72 N24 O4 -","4","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0817","0.0474","","","0.1091","0.1311","","","","","","1.017","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507905","11.901","0.0006","11.9734","0.0005","20.6426","0.001","89.483","0.004","74.703","0.004","67.446","0.004","2606.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H86 Cu6 I4 N12 O31 -","- C104 H86 Cu6 I4 N12 O31 -","- C104 H86 Cu6 I4 N12 O31 -","1","0.5","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0406","0.0335","","","0.0824","0.0857","","","","","","1.02","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507906","9.146","0.005","17.611","0.009","13.737","0.005","90","","123","0.02","90","","1855.7","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cu I N2 O5 -","- C20 H13 Cu I N2 O5 -","- C80 H52 Cu4 I4 N8 O20 -","4","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0372","0.0329","","","0.0831","0.0849","","","","","","1.049","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507907","9.6861","0.0014","10.239","0.0012","11.6714","0.0016","72.355","0.011","76.57","0.012","74.039","0.011","1046.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Cu I N2 O6 -","- C20 H19 Cu I N2 O6 -","- C40 H38 Cu2 I2 N4 O12 -","2","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0932","0.0671","","","0.1589","0.1746","","","","","","1.06","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507908","9.4993","0.0018","9.9848","0.0018","13.335","0.002","79.008","0.015","78.226","0.015","62.978","0.018","1096","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Cu I N4 O4 -","- C22 H17 Cu I N4 O4 -","- C44 H34 Cu2 I2 N8 O8 -","2","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.1069","0.0758","","","0.1859","0.2008","","","","","","1.034","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507909","12.7032","0.0004","22.416","0.0007","14.2465","0.0006","90","","110.593","0.004","90","","3797.5","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cu I N4 O4 -","- C18 H17 Cu I N4 O4 -","- C144 H136 Cu8 I8 N32 O32 -","8","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0443","0.0323","","","0.0724","0.0771","","","","","","1.033","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507910","14.4783","0.0004","17.1227","0.0005","12.352","0.0003","90","","100.97","0.001","90","","3006.2","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 Cu4 I4 N8 O17 -","- C52 H42 Cu4 I4 N8 O17 -","- C104 H84 Cu8 I8 N16 O34 -","2","0.5","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0656","0.0445","","","0.1134","0.1219","","","","","","1.06","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507911","20.136","0.0015","17.888","0.0015","12.2967","0.0014","90","","90","","90","","4429.2","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H19 Cu I N2 O5 -","- C21 H19 Cu I N2 O5 -","- C168 H152 Cu8 I8 N16 O40 -","8","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0575","0.0416","","","0.0943","0.102","","","","","","1.044","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507912","9.4465","0.0019","9.83","0.002","11.903","0.002","70.18","0.03","71.73","0.03","67.28","0.03","937.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Ce N O13 -","- C12 H20 Ce N O13 -","- C24 H40 Ce2 N2 O26 -","2","1","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0291","0.027","","","0.0658","0.0719","","","","","","1.086","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507913","9.3836","0.0019","9.834","0.002","11.888","0.002","70.02","0.03","71.86","0.03","67.37","0.03","930.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 N Nd O13 -","- C12 H20 N Nd O13 -","- C24 H40 N2 Nd2 O26 -","2","1","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0301","0.0268","","","0.0658","0.0672","","","","","","1.044","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507914","9.3134","0.0019","9.778","0.002","11.839","0.002","70.28","0.03","72.01","0.03","67.68","0.03","918.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 N O13 Sm -","- C12 H20 N O13 Sm -","- C24 H40 N2 O26 Sm2 -","2","1","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0267","0.0245","","","0.0585","0.0594","","","","","","1.052","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507915","29.709","0.011","8.793","0.005","14.599","0.007","90","","111.261","0.015","90","","3554","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 Eu2 N2 O26 -","- C24 H44 Eu2 N2 O26 -","- C96 H176 Eu8 N8 O104 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.028","0.0216","","","0.0437","0.0453","","","","","","1.121","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507916","29.7113","0.0008","8.7956","0.0002","14.6009","0.0004","90","","111.409","0.003","90","","3552.35","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 Gd2 N2 O26 -","- C24 H44 Gd2 N2 O26 -","- C96 H176 Gd8 N8 O104 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0411","0.0259","","","0.0465","0.0539","","","","","","1.039","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507917","29.689","0.006","8.7752","0.0018","14.576","0.003","90","","111.42","0.03","90","","3535.1","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 N2 O26 Tb2 -","- C24 H44 N2 O26 Tb2 -","- C96 H176 N8 O104 Tb8 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0215","0.0183","","","0.0413","0.0423","","","","","","1.055","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507918","29.692","0.006","8.7398","0.0017","14.523","0.003","90","","111.64","0.03","90","","3503.1","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 Er2 N2 O26 -","- C24 H44 Er2 N2 O26 -","- C96 H176 Er8 N8 O104 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0333","0.0227","","","0.0427","0.0455","","","","","","1.046","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507919","29.373","0.0014","8.7102","0.0003","14.6315","0.0008","90","","113.921","0.006","90","","3421.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Lu2 N2 O24 -","- C24 H40 Lu2 N2 O24 -","- C96 H160 Lu8 N8 O96 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.036","0.0286","","","0.0575","0.0613","","","","","","1.027","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507920","8.5905","0.0004","15.3257","0.0007","25.5881","0.0011","90","","90","","90","","3368.8","0.3","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 Co N7 O6 -","- C35 H35 Co N7 O6 -","- C140 H140 Co4 N28 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0397","0.0365","","","0.0999","0.1021","","","","","","1.063","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507921","8.5961","0.0011","15.1874","0.0018","25.425","0.003","90","","90","","90","","3319.3","0.7","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 N7 Ni O6 -","- C35 H35 N7 Ni O6 -","- C140 H140 N28 Ni4 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0678","0.0629","","","0.1572","0.1609","","","","","","1.07","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507922","27.153","0.002","15.103","0.002","9.0264","0.0014","90","","107.047","0.002","90","","3539","0.8","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H31 Co N8 O6 -","- C32 H31 Co N8 O6 -","- C128 H124 Co4 N32 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0773","0.062","","","0.1292","0.1333","","","","","","1.084","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507923","27.488","0.003","14.9399","0.0016","9.0717","0.001","90","","107.373","0.002","90","","3555.5","0.7","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H31 N8 Ni O6 -","- C32 H31 N8 Ni O6 -","- C128 H124 N32 Ni4 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0689","0.0588","","","0.1225","0.1248","","","","","","1.093","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507924","21.453","0.002","16.3701","0.0016","10.3056","0.001","90","","90","","90","","3619.2","0.6","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H33 N7 O11 Zn2 -","- C36 H33 N7 O11 Zn2 -","- C144 H132 N28 O44 Zn8 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0474","0.0431","","","0.1027","0.1039","","","","","","1.05","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507925","12.071","0.003","13.885","0.005","17.666","0.007","90","","90","","90","","2960.9","1.7","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 Co N5 O5 -","- C30 H35 Co N5 O5 -","- C120 H140 Co4 N20 O20 -","4","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71069","MoKα","","0.08","0.0554","","","0.1456","0.1586","","","","","","1.049","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507926","12.1844","0.0005","12.9184","0.0005","18.8908","0.0007","90","","90","","90","","2973.5","0.2","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N5 Ni O5 -","- C30 H35 N5 Ni O5 -","- C120 H140 N20 Ni4 O20 -","4","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.0591","0.0499","","","0.1376","0.1448","","","","","","1.023","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507927","7.4795","0.0006","11.4662","0.0009","23.901","0.002","90","","98.773","0.002","90","","2025.8","0.3","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 Cu N3 O4 -","- C22 H23 Cu N3 O4 -","- C88 H92 Cu4 N12 O16 -","4","2","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.149","0.0695","","","0.1054","0.1356","","","","","","0.976","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507928","10.0633","0.0005","13.4316","0.0007","15.0358","0.0007","90","","94.9244","0.0009","90","","2024.83","0.17","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H46 N6 O8 Zn2 -","- C44 H46 N6 O8 Zn2 -","- C88 H92 N12 O16 Zn4 -","2","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.0612","0.0445","","","0.0968","0.1053","","","","","","1.032","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507929","10.2397","0.0005","13.565","0.0007","15.0505","0.0008","90","","93.384","0.001","90","","2086.89","0.19","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H46 Cd2 N6 O8 -","- C44 H46 Cd2 N6 O8 -","- C88 H92 Cd4 N12 O16 -","2","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.0505","0.0352","","","0.0686","0.0757","","","","","","1.01","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507930","13.4863","0.0018","15.176","0.002","20.111","0.003","84.901","0.01","76.434","0.009","64.154","0.009","3600.6","0.9","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H72 Cl6 Cu6 Gd2 N6 O66 -","- C15 H27 Cu6 Gd2 N6 O32 -","- C30 H54 Cu12 Gd4 N12 O64 -","2","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0808","0.0558","","","0.137","0.1468","","","","","","0.976","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507931","13.4763","0.0008","15.1853","0.001","20.1435","0.0013","84.725","0.004","76.5","0.004","64.039","0.004","3603.6","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H82 Cl6 Cu6 N6 O71 Tb2 -","- C15 H27 Cu6 N6 O32 Tb2 -","- C30 H54 Cu12 N12 O64 Tb4 -","2","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0541","0.0413","","","0.1017","0.1063","","","","","","0.918","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507932","13.4553","0.0005","15.1834","0.0005","20.134","0.0007","84.834","0.002","76.451","0.002","64.08","0.002","3596.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H82 Cl6 Cu6 Dy2 N6 O71 -","- C15 H27 Cu6 Dy2 N6 O32 -","- C30 H54 Cu12 Dy4 N12 O64 -","2","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0415","0.0355","","","0.0944","0.0966","","","","","","1.041","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507933","38.074","0.01","38.074","0.01","24.316","0.013","90","","90","","120","","30527","2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C15 H84 Cl6 Cu6 Gd2 N6 O72 -","- C15 H27 Cu6 Gd2 N6 O33 -","- C270 H486 Cu108 Gd36 N108 O594 -","18","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0993","0.0593","","","0.1405","0.1482","","","","","","0.984","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507934","38.002","0.005","38.002","0.005","24.348","0.006","90","","90","","120","","30451","9","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C15 H80 Cl6 Cu6 N6 O70 Tb2 -","- C15 H27 Cu6 N6 O33 Tb2 -","- C270 H486 Cu108 N108 O594 Tb36 -","18","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0756","0.0468","","","0.1058","0.1131","","","","","","0.975","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507935","20.983","0.0005","21.9555","0.0005","25.6798","0.0005","75.639","0.001","74.559","0.001","72.725","0.001","10704","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H280 Cl10 Cu24 Gd6 N12 O198 -","- C44 H76 Cu24 Gd6 N12 O94 -","- C88 H152 Cu48 Gd12 N24 O188 -","2","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0744","0.047","","","0.1139","0.1222","","","","","","0.923","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507936","4.5176","0.00021","9.0468","0.0009","50.241","0.006","110.974","0.012","82.273","0.012","100.754","0.006","1878.5","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","β 1,4 butanediol distearate","","","- C40 H78 O4 -","- C40 H78 O4 -","- C80 H156 O8 -","2","1","","Cabus, S.; Bogaerts, K.; Van Mechelen, J.; Smet, M.; Goderis, B.","Monotropic Polymorphism in Ester-Based Phase Change Materials from Fatty Acids and 1,4-Butanediol","Crystal Growth & Design","2013","13","8","3438","","10.1021/cg400339z","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.20992","","8.14","","","","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507937","5.05088","0.00025","14.7935","0.0006","51.933","0.006","90","","92.465","0.015","90","","3876.9","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","β' 1,4 butanediol distearate","","","- C40 H78 O4 -","- C40 H78 O4 -","- C160 H312 O16 -","4","1","","Cabus, S.; Bogaerts, K.; Van Mechelen, J.; Smet, M.; Goderis, B.","Monotropic Polymorphism in Ester-Based Phase Change Materials from Fatty Acids and 1,4-Butanediol","Crystal Growth & Design","2013","13","8","3438","","10.1021/cg400339z","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.10927","","3.14","","","","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507938","5.073","0.004","8.309","0.007","26.37","0.02","90","","90","","90","","1111.5","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0611","0.0406","","","0.0917","0.1042","","","","","","1.021","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507939","5.0837","0.0007","8.2864","0.0012","25.802","0.004","90","","90","","90","","1086.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0377","0.0349","","","0.0858","0.0879","","","","","","1.096","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507940","18.024","0.006","4.9974","0.0017","19.569","0.007","90","","104.622","0.005","90","","1705.6","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C66 H84 N12 O12 -","6","3","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0897","0.0436","","","0.0988","0.1099","","","","","","1.021","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507941","17.44","0.005","5.0094","0.0013","19.515","0.005","90","","105.986","0.005","90","","1639","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C66 H84 N12 O12 -","6","3","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0788","0.0478","","","0.1047","0.1197","","","","","","1.025","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507942","38.5979","0.0004","4.97425","0.00005","23.1869","0.0003","90","","99.7718","0.0009","90","","4387.19","0.09","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","Ac-Phe-NH2","N-acetyl-L-phenylalanyl-NH2","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C176 H224 N32 O32 -","16","4","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","powder diffraction","x-ray","0.69968","synchrotron","","","","","","","","","","1.35","","","","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507943","11.2615","0.0006","11.9601","0.0006","14.7931","0.0006","78.121","0.004","84.854","0.004","88.142","0.004","1941.74","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H49 B Cu2 N12 O44 W12 -","- C48 H48 B Cu2 N12 O44 W12 -","- C48 H48 B Cu2 N12 O44 W12 -","1","0.5","","Wang, Xin; Zhang, Mao-Mao; Hao, Xiu-Li; Wang, Yong-Hui; Wei, Ying; Liang, Fu-Shun; Xu, Li-Jie; Li, Yang-Guang","Polyoxometalate-Induced New Self-Assemblies Based on Copper Ions and Bichelate-Bridging Ligands","Crystal Growth & Design","2013","13","8","3454","","10.1021/cg400353j","","","0.71073","MoKα","","0.0816","0.0526","","","0.0927","0.1051","","","","","","1.044","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507944","15.919","0.003","16.025","0.003","27.627","0.008","90","","123.2","0.02","90","","5897","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H90 Cu4 N24 O45 Si W12 -","- C96 H80 Cu4 N24 O40 Si W12 -","- C192 H160 Cu8 N48 O80 Si2 W24 -","2","0.5","","Wang, Xin; Zhang, Mao-Mao; Hao, Xiu-Li; Wang, Yong-Hui; Wei, Ying; Liang, Fu-Shun; Xu, Li-Jie; Li, Yang-Guang","Polyoxometalate-Induced New Self-Assemblies Based on Copper Ions and Bichelate-Bridging Ligands","Crystal Growth & Design","2013","13","8","3454","","10.1021/cg400353j","","","0.71073","MoKα","","0.1166","0.0725","","","0.1215","0.1368","","","","","","1.052","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507945","21.6328","0.0009","21.6328","0.0009","21.6328","0.0009","90","","90","","90","","10123.7","0.7","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C72 H72 B Cu3 N18 O45 W12 -","- C72 H60 B Cu3 N18 O40 W12 -","- C288 H240 B4 Cu12 N72 O160 W48 -","4","0.333333","","Wang, Xin; Zhang, Mao-Mao; Hao, Xiu-Li; Wang, Yong-Hui; Wei, Ying; Liang, Fu-Shun; Xu, Li-Jie; Li, Yang-Guang","Polyoxometalate-Induced New Self-Assemblies Based on Copper Ions and Bichelate-Bridging Ligands","Crystal Growth & Design","2013","13","8","3454","","10.1021/cg400353j","","","0.71073","MoKα","","0.0565","0.0415","","","0.0795","0.0844","","","","","","0.953","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507946","12.144","0.005","12.144","0.005","6.824","0.006","90","","90","","90","","1006.4","1.1","296","2","296","2","","","","","","","","6","P 42 n m","P 4n -2n","102","","","","- Al2 B8 Ba4 Br3 Na O18 -","- Al2 B8 Ba4 Br3 Na O18 -","- Al4 B16 Ba8 Br6 Na2 O36 -","2","0.25","","Yu, Hongwei; Pan, Shilie; Wu, Hongping; Yang, Zhihua; Dong, Lingyun; Su, Xin; Zhang, Bingbing; Li, Hongyi","Effect of Rigid Units on the Symmetry of the Framework: Design and Synthesis of Centrosymmetric NaBa4(B5O9)2F2Cl and Noncentrosymmetric NaBa4(AlB4O9)2Br3","Crystal Growth & Design","2013","13","8","3514","","10.1021/cg4004774","","","0.71073","MoKα","","0.0328","0.0316","","","0.0986","0.0998","","","","","","1.137","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507947","6.7397","0.0017","11.422","0.003","11.448","0.003","90","","91.906","0.003","90","","880.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- B10 Ba4 Cl F2 Na O18 -","- B10 Ba4 Cl F2 Na O18 -","- B20 Ba8 Cl2 F4 Na2 O36 -","2","0.5","","Yu, Hongwei; Pan, Shilie; Wu, Hongping; Yang, Zhihua; Dong, Lingyun; Su, Xin; Zhang, Bingbing; Li, Hongyi","Effect of Rigid Units on the Symmetry of the Framework: Design and Synthesis of Centrosymmetric NaBa4(B5O9)2F2Cl and Noncentrosymmetric NaBa4(AlB4O9)2Br3","Crystal Growth & Design","2013","13","8","3514","","10.1021/cg4004774","","","0.71073","MoKα","","0.0318","0.0258","","","0.0547","0.0574","","","","","","1.027","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507948","10.9619","0.0011","16.0098","0.0014","23.383","0.004","90","","90","","90","","4103.7","0.9","100","2","100","","","","","","","","","6","P m m m","-P 2 2","47","","","","- C61 H33 Br2 N2 O14 Zn2 -","- C61.12 H33.36 Br2 N2 O14 Zn2 -","- C61.12 H33.36 Br2 N2 O14 Zn2 -","1","0.125","","Nguyen, Huong Giang T.; Weston, Mitchell H.; Sarjeant, Amy A.; Gardner, Daniel M.; An, Zhi; Carmieli, Raanan; Wasielewski, Michael R.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Design, Synthesis, Characterization, and Catalytic Properties of a Large-Pore Metal-Organic Framework Possessing Single-Site Vanadyl(monocatecholate) Moieties","Crystal Growth & Design","2013","13","8","3528","","10.1021/cg400500t","","","1.54184","CuKα","","0.1584","0.1208","","","0.3308","0.3582","","","","","","1.173","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507949","11.4439","0.0007","15.758","0.0009","23.466","0.002","90","","90","","90","","4231.7","0.5","225","2","225.01","","","","","","","","","6","P m m m","-P 2 2","47","","","","- C56 H30 Br2 N2 O10 Zn2 -","- C56 H30 Br2 N2 O10 Zn2 -","- C56 H30 Br2 N2 O10 Zn2 -","1","0.125","","Nguyen, Huong Giang T.; Weston, Mitchell H.; Sarjeant, Amy A.; Gardner, Daniel M.; An, Zhi; Carmieli, Raanan; Wasielewski, Michael R.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Design, Synthesis, Characterization, and Catalytic Properties of a Large-Pore Metal-Organic Framework Possessing Single-Site Vanadyl(monocatecholate) Moieties","Crystal Growth & Design","2013","13","8","3528","","10.1021/cg400500t","","","1.54184","CuKα","","0.1159","0.0958","","","0.2657","0.2801","","","","","","1.011","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507950","8.1957","0.0002","14.9197","0.0003","16.1595","0.0003","90","","104.386","0.002","90","","1913.98","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O6 -","- C19 H21 N3 O6 -","- C76 H84 N12 O24 -","4","1","","Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu","Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast","Crystal Growth & Design","2013","13","8","3546","","10.1021/cg400518w","","","1.54178","CuKα","","0.0451","0.037","","","0.0988","0.1062","","","","","","1.035","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507951","5.1527","0.0003","19.4205","0.0011","21.9733","0.001","90","","90","","90","","2198.8","0.2","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N3 O6 -","- C24 H23 N3 O6 -","- C96 H92 N12 O24 -","4","1","","Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu","Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast","Crystal Growth & Design","2013","13","8","3546","","10.1021/cg400518w","","","1.54178","CuKα","","0.0446","0.0368","","","0.0955","0.1014","","","","","","1.025","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507952","5.4481","0.0005","21.0571","0.0012","17.8991","0.0013","90","","94.142","0.007","90","","2048","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N4 O6 -","- C22 H22 N4 O6 -","- C88 H88 N16 O24 -","4","1","","Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu","Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast","Crystal Growth & Design","2013","13","8","3546","","10.1021/cg400518w","","","1.54178","CuKα","","0.088","0.0614","","","0.155","0.1822","","","","","","1.014","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507953","7.1939","0.0004","11.1238","0.0007","14.8985","0.001","73.134","0.006","89.524","0.005","71.422","0.006","1076.83","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 N Na O11 -","- C18 H28 N Na O11 -","- C36 H56 N2 Na2 O22 -","2","1","","Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu","Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast","Crystal Growth & Design","2013","13","8","3546","","10.1021/cg400518w","","","1.54178","CuKα","","0.0532","0.0377","","","0.0859","0.0951","","","","","","1.03","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507954","37.146","0.002","16.6971","0.0011","28.4","0.003","90","","123.883","0.001","90","","14623","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Ce6 H115 Mo29 N3 Na2 O158 -","- Ce6 Mo29 N3 Na2 O158 -","- Ce24 Mo116 N12 Na8 O632 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0464","0.0415","","","0.1064","0.1084","","","","","","1.094","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507955","37.099","0.007","16.71","0.003","28.416","0.009","90","","123.894","0.002","90","","14622","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H115 Mo29 N3 Na2 O158 Pr6 -","- Mo29 N3 Na2 O158 Pr6 -","- Mo116 N12 Na8 O632 Pr24 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0508","0.0372","","","0.0975","0.103","","","","","","1.067","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507956","36.7875","0.0011","16.6158","0.0005","28.2367","0.0008","90","","123.85","","90","","14334.2","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H115 Mo29 N3 Na2 O158 Sm6 -","- Mo29 N3 Na2 O158 Sm6 -","- Mo116 N12 Na8 O632 Sm24 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0418","0.0329","","","0.0861","0.0899","","","","","","1.047","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507957","36.688","0.007","16.579","0.004","28.202","0.006","90","","123.874","0.003","90","","14242","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Eu6 H115 Mo29 N3 Na2 O158 -","- Eu6 Mo29 N3 Na2 O158 -","- Eu24 Mo116 N12 Na8 O632 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0368","0.031","","","0.0821","0.0848","","","","","","1.02","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507958","36.921","0.005","16.631","0.002","28.287","0.004","90","","123.872","0.002","90","","14421","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H117 Mo29 N3 Na2 Nd6 O159 -","- Mo29 N3 Na2 Nd6 O159 -","- Mo116 N12 Na8 Nd24 O636 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0824","0.0792","","","0.223","0.2244","","","","","","1.069","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507959","17.4348","0.0012","19.4409","0.0014","44.422","0.003","90","","95.529","0.001","90","","14986.7","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H88 La5 Mo29 N3 Na4 O146 -","- La5 Mo29 N3 Na4 O146 -","- La20 Mo116 N12 Na16 O584 -","4","1","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0585","0.0473","","","0.1265","0.1315","","","","","","1.06","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507960","7.1939","0.0006","13.559","0.0012","20.6036","0.0018","90","","90","","90","","2009.7","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cu N4 O8 -","- C22 H16 Cu N4 O8 -","- C88 H64 Cu4 N16 O32 -","4","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0392","0.0315","","","0.0622","0.0646","","","","","","1.002","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507961","8.6606","0.0011","19.381","0.002","16.032","0.002","90","","96.955","0.002","90","","2671.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cu N4 O10 -","- C25 H25 Cu N4 O10 -","- C100 H100 Cu4 N16 O40 -","4","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.103","0.0569","","","0.1365","0.1584","","","","","","1.033","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507962","10.9568","0.0007","17.7717","0.0012","22.2155","0.0015","90","","90","","90","","4325.8","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H50 Cu3 N4 O23 -","- C38 H46 Cu3 N4 O23 -","- C152 H184 Cu12 N16 O92 -","4","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0555","0.0477","","","0.1207","0.124","","","","","","1.237","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507963","15.455","0.005","15.314","0.005","18.078","0.008","90","","91.39","0.008","90","","4277","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cu N4 O7 -","- C22 H20 Cu N4 O7 -","- C176 H160 Cu8 N32 O56 -","8","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.1248","0.1121","","","0.2918","0.2975","","","","","","1.073","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507964","6.8317","0.0006","21.0819","0.0018","15.1676","0.0014","90","","92.992","0.001","90","","2181.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cu N4 O6 -","- C24 H22 Cu N4 O6 -","- C96 H88 Cu4 N16 O24 -","4","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0281","0.0248","","","0.0668","0.068","","","","","","1.05","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507965","6.9266","0.0006","13.3091","0.0011","15.0058","0.0013","90","","95.106","0.002","90","","1377.8","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H32 Cu N4 O7 -","- C28 H32 Cu N4 O7 -","- C56 H64 Cu2 N8 O14 -","2","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0586","0.0444","","","0.1253","0.1341","","","","","","1.033","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507966","12.2612","0.0006","16.8753","0.0008","18.5387","0.0009","90","","90","","90","","3835.9","0.3","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C31 H38 Cu2 N4 O17 -","- C31 H38 Cu2 N4 O17 -","- C124 H152 Cu8 N16 O68 -","4","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0567","0.0425","","","0.131","0.1432","","","","","","1.027","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507967","18.41","0.0009","16.2894","0.0008","15.8517","0.0007","90","","108.908","0.001","90","","4497.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cu N4 O9 -","- C21 H22 Cu N4 O9 -","- C168 H176 Cu8 N32 O72 -","8","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0639","0.0419","","","0.1074","0.1182","","","","","","1.014","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507968","8.259","0.003","8.707","0.003","19.798","0.007","92.2","0.006","91.716","0.006","106.706","0.006","1361.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Cu N4 O10 -","- C25 H32 Cu N4 O10 -","- C50 H64 Cu2 N8 O20 -","2","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.1343","0.0717","","","0.1699","0.2032","","","","","","1.02","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507969","9.5201","0.0004","10.1789","0.0007","17.615","0.001","81.152","0.005","89.833","0.004","67.143","0.006","1551.18","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H78 Cu2 N8 O21 -","- C56 H78 Cu2 N8 O21 -","- C56 H78 Cu2 N8 O21 -","1","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0691","0.0534","","","0.1488","0.1582","","","","","","1.04","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507970","8.956","0.0014","12.184","0.0019","14.2625","0.0016","90","","127.328","0.006","90","","1237.6","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H26 Cu N4 O9 -","- C28 H17 Cu N4 O9 -","- C56 H34 Cu2 N8 O18 -","2","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.1219","0.0918","","","0.2518","0.2778","","","","","","1.064","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507971","11.0527","0.0009","11.6626","0.001","13.6265","0.0012","84.478","0.001","69.575","0.002","71.527","0.001","1561","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Cu N4 O10 -","- C30 H36 Cu N4 O10 -","- C60 H72 Cu2 N8 O20 -","2","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0663","0.051","","","0.1386","0.1503","","","","","","1.033","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507972","11.132","0.0005","14.3355","0.0007","11.5297","0.0006","90","","91.768","0.001","90","","1839.07","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cu N2 O6 -","- C21 H19 Cu N2 O6 -","- C84 H76 Cu4 N8 O24 -","4","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0289","0.0256","","","0.0701","0.0714","","","","","","1.052","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507973","6.791","0.006","13.527","0.004","12.4615","0.0017","90","","98.507","0.014","90","","1132.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((2-nitrophenyl)amino)ethyl methanesulfonate","","- C9 H12 N2 O5 S -","- C9 H12 N2 O5 S -","- C36 H48 N8 O20 S4 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0387","0.0352","","","0.0902","0.093","","","","","","1.048","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507974","13.1886","0.0002","10.279","0.0001","8.3635","0.0001","90","","97.17","0.0001","90","","1124.94","0.02","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((4-nitrophenyl)amino)ethyl methanesulfonate","","- C9 H12 N2 O5 S -","- C9 H12 N2 O5 S -","- C36 H48 N8 O20 S4 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0749","0.0584","","","0.1533","0.1629","","","","","","1.148","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507975","7.9887","0.0004","27.0768","0.0019","7.0718","0.0005","90","","94.729","0.005","90","","1524.48","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((2-nitrophenyl)amino)ethyl 4-methylbenzenesulfonate","","- C15 H16 N2 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0498","0.0404","","","0.1007","0.107","","","","","","1.049","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507976","9.2567","0.0001","18.5024","0.0002","9.7785","0.0001","90","","113.671","0.0001","90","","1533.87","0.03","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((4-nitrophenyl)amino)ethyl 4-methylbenzenesulfonate","","- C15 H16 N2 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0604","0.0491","","","0.127","0.1359","","","","","","1.052","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507977","14.6336","0.0002","7.2215","0.0001","19.5363","0.0002","90","","105.275","0.0001","90","","1991.59","0.04","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-((1,3-phenylenebis(oxy))bis(ethane-2,1-diyl))bis(2-nitroaniline)","","- C22 H22 N4 O6 -","- C22 H22 N4 O6 -","- C88 H88 N16 O24 -","4","0.5","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0446","0.0392","","","0.1011","0.1053","","","","","","1.057","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507978","7.2248","0.0001","16.2084","0.0002","7.566","0.0001","90","","94.468","0.0001","90","","883.3","0.02","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-chloroethyl)-2-nitroaniline","","- C8 H9 Cl N2 O2 -","- C8 H9 Cl N2 O2 -","- C32 H36 Cl4 N8 O8 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0464","0.0415","","","0.108","0.1124","","","","","","1.065","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507979","11.9007","0.0001","16.0041","0.0002","7.3763","0.0001","90","","94.387","0.0001","90","","1400.77","0.03","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl (2-((4-nitrophenyl)amino)ethyl) carbonate","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0673","0.0572","","","0.1522","0.1614","","","","","","1.043","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507980","43.719","0.006","43.719","0.006","8.5159","0.0017","90","","90","","90","","16277","5","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C31 H25 N4 O6 Zn2 -","- C31 H25 N4 O6 Zn2 -","- C496 H400 N64 O96 Zn32 -","16","1","","Li, Ting; Wang, Feng-Lan; Wu, Shu-Ting; Huang, Xi-He; Chen, Shu-Mei; Huang, Chang-Cang","A Highly Chemical and Thermal Stable Porous Metal‒Organic Framework with Unusual 5-ConnectedzfyTopology","Crystal Growth & Design","2013","13","8","3271","","10.1021/cg400587j","","","0.71073","MoKα","","0.1226","0.0613","","","0.1019","0.1269","","","","","","1.054","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507981","8.3066","0.0015","8.3066","0.0015","25.829","0.005","90","","90","","90","","1782.2","0.6","293","2","293","2","","","","","","","synthesis as described","3","P 43 21 2","P 4nw 2abw","96","","","","- C11 H11 O2 -","- C11 H11 O2 -","- C88 H88 O16 -","8","1","","Mahieux, J.; Sanselme, M.; Harthong, S.; Melan, C.; Aronica, C.; Guy, L.; Coquerel, G.","Preparative Resolution of (±)-Bis-tetralone by Means of Autoseeded Preferential Crystallization Induced by Solvent Evaporation (ASPreCISE)","Crystal Growth & Design","2013","13","8","3621","","10.1021/cg400589u","","x-ray","0.71073","MoKα","","0.0429","0.0408","","","0.1138","0.1163","","","","","","1.064","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507982","8.299","0.002","8.299","0.002","25.826","0.006","90","","90","","90","","1778.7","0.7","293","2","293","2","","","","","","","synthesis as described","3","P 41 21 2","P 4abw 2nw","92","","","","- C11 H11 O2 -","- C11 H11 O2 -","- C88 H88 O16 -","8","1","","Mahieux, J.; Sanselme, M.; Harthong, S.; Melan, C.; Aronica, C.; Guy, L.; Coquerel, G.","Preparative Resolution of (±)-Bis-tetralone by Means of Autoseeded Preferential Crystallization Induced by Solvent Evaporation (ASPreCISE)","Crystal Growth & Design","2013","13","8","3621","","10.1021/cg400589u","","x-ray","0.71073","MoKα","","0.0426","0.0411","","","0.1149","0.1166","","","","","","1.061","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507983","12.1738","0.0005","12.1738","0.0005","51.834","0.003","90","","90","","120","","6652.7","0.5","293","2","293","2","","","","","","","synthesis as described","4","P 31 2 1","P 31 2""","152","","","","- C44 H62 N4 O6 -","- C44 H62 N4 O6 -","- C264 H372 N24 O36 -","6","1","","Mahieux, J.; Sanselme, M.; Harthong, S.; Melan, C.; Aronica, C.; Guy, L.; Coquerel, G.","Preparative Resolution of (±)-Bis-tetralone by Means of Autoseeded Preferential Crystallization Induced by Solvent Evaporation (ASPreCISE)","Crystal Growth & Design","2013","13","8","3621","","10.1021/cg400589u","","x-ray","0.71073","MoKα","","0.0939","0.0904","","","0.2157","0.2217","","","","","","0.977","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507984","9.961","0.003","10.587","0.003","13.73","0.004","90","","90.839","0.015","90","","1447.8","0.7","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Ag2 B2 F8 N10 -","- C24 H22 Ag2 B2 F8 N10 -","- C48 H44 Ag4 B4 F16 N20 -","2","0.5","","Durá Gema; Carrión M. Carmen; Jalón Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Self-Assembly of Silver(I) and Ditopic Heteroscorpionate Ligands. Spontaneous Chiral Resolution in Helices and Sequence Isomerism in Coordination Polymers","Crystal Growth & Design","2013","13","8","3275","","10.1021/cg400636a","","","0.71073","MoKα","","0.0905","0.0412","","","0.0909","0.1135","","","","","","0.939","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507985","13.4083","0.0009","14.0861","0.001","14.0815","0.0008","90","","116.311","0.005","90","","2384.1","0.3","260","2","260","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H23 Ag B F4 N5 O0.5 -","- C18 H23 Ag B F4 N5 O0.5 -","- C72 H92 Ag4 B4 F16 N20 O2 -","4","2","","Durá Gema; Carrión M. Carmen; Jalón Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Self-Assembly of Silver(I) and Ditopic Heteroscorpionate Ligands. Spontaneous Chiral Resolution in Helices and Sequence Isomerism in Coordination Polymers","Crystal Growth & Design","2013","13","8","3275","","10.1021/cg400636a","","","0.71073","MoKα","","0.141","0.0876","","","0.2084","0.2508","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507986","17.317","0.016","13.148","0.012","9.133","0.009","90","","90","","90","","2079","3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H19 Ag B F4 N5 -","- C16 H19 Ag B F4 N5 -","- C64 H76 Ag4 B4 F16 N20 -","4","1","","Durá Gema; Carrión M. Carmen; Jalón Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Self-Assembly of Silver(I) and Ditopic Heteroscorpionate Ligands. Spontaneous Chiral Resolution in Helices and Sequence Isomerism in Coordination Polymers","Crystal Growth & Design","2013","13","8","3275","","10.1021/cg400636a","","","0.71073","MoKα","","0.0777","0.0663","","","0.1756","0.1842","","","","","","1.058","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507987","5.317","0.0015","5.9435","0.0012","5.3988","0.0014","90","","116.21","0.03","90","","153.07","0.08","156","2","156","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0581","0.0559","","","0.144","0.1489","","","","","","1.109","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507988","5.3369","0.0009","5.957","0.0006","5.4144","0.0009","90","","116.18","0.02","90","","154.48","0.05","192","2","192","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.032","0.0303","","","0.0802","0.0811","","","","","","1.095","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507989","5.3333","0.0012","5.9723","0.0008","5.4187","0.0011","90","","115.99","0.03","90","","155.14","0.06","228","2","228","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0328","0.032","","","0.0859","0.0876","","","","","","1.07","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507990","5.3385","0.0015","5.9978","0.0014","5.4376","0.0015","90","","116.12","0.03","90","","156.33","0.08","264","2","264","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0426","0.04","","","0.1048","0.1093","","","","","","1.146","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507991","5.3266","0.0013","6.0126","0.001","5.4456","0.0013","90","","115.8","0.03","90","","157.02","0.07","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0358","0.0342","","","0.0859","0.0889","","","","","","1.119","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507992","5.1539","0.0004","5.324","0.0004","8.1688","0.0007","108.04","0.007","101.306","0.007","95.29","0.006","206.16","0.03","120","2","120","2","","","","","","","","3","P -1","-P 1","2","C3-120-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0338","0.0314","","","0.0802","0.0822","","","","","","1.099","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507993","5.1579","0.0015","5.3225","0.0013","8.195","0.002","108.09","0.02","101.24","0.02","95.26","0.02","206.94","0.1","140","2","140","2","","","","","","","","3","P -1","-P 1","2","C3-140-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0349","0.0322","","","0.0813","0.0839","","","","","","1.107","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507994","5.1592","0.0005","5.3308","0.0004","8.2401","0.0007","108.181","0.007","101.107","0.007","95.225","0.007","208.48","0.03","180","2","180","2","","","","","","","","3","P -1","-P 1","2","C3-180-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0387","0.0343","","","0.0911","0.0954","","","","","","1.059","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507995","5.1578","0.0004","5.3301","0.0005","8.292","0.0007","108.262","0.008","100.971","0.007","95.138","0.007","209.78","0.03","220","2","220","2","","","","","","","","3","P -1","-P 1","2","C3-220-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0392","0.0348","","","0.0885","0.0926","","","","","","1.08","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507996","5.155","0.0005","5.335","0.0005","8.3448","0.0008","108.4","0.008","100.78","0.008","95.059","0.007","211.24","0.04","260","2","260","2","","","","","","","","3","P -1","-P 1","2","C3-260-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0439","0.0374","","","0.0948","0.1019","","","","","","1.074","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507997","5.1582","0.0006","5.34","0.0006","8.4024","0.0009","108.486","0.01","100.712","0.01","94.95","0.009","213.04","0.04","298","2","298","2","","","","","","","","3","P -1","-P 1","2","C3-298-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0474","0.0411","","","0.1007","0.1075","","","","","","1.055","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507998","5.4662","0.0003","8.768","0.0006","5.0205","0.0003","90","","93.043","0.006","90","","240.28","0.03","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0378","0.036","","","0.0949","0.0961","","","","","","1.07","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507999","5.4768","0.0005","8.7831","0.0007","5.0287","0.0004","90","","92.862","0.007","90","","241.6","0.04","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0358","0.0335","","","0.0932","0.0952","","","","","","1.078","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4508000","5.4793","0.0004","8.794","0.0007","5.0442","0.0003","90","","92.502","0.007","90","","242.82","0.03","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0376","0.0337","","","0.0868","0.0912","","","","","","1.086","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508001","5.4866","0.0004","8.8113","0.0005","5.0564","0.0004","90","","92.25","0.006","90","","244.26","0.03","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0406","0.0365","","","0.0958","0.0989","","","","","","1.073","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508002","5.5072","0.0006","8.8432","0.001","5.075","0.0004","90","","91.878","0.008","90","","247.03","0.04","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0443","0.0397","","","0.1031","0.1074","","","","","","1.055","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508003","5.5198","0.0005","8.8763","0.0008","5.0993","0.0004","90","","91.508","0.008","90","","249.76","0.04","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0478","0.0417","","","0.1147","0.1206","","","","","","1.121","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508004","12.961","0.002","4.7227","0.0008","9.6498","0.0018","90","","98.41","0.018","90","","584.32","0.17","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-120-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0771","0.0735","","","0.2032","0.2119","","","","","","1.144","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508005","12.939","0.002","4.7343","0.0006","9.6827","0.0013","90","","98.244","0.013","90","","587","0.14","140","2","140","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-140-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0759","0.072","","","0.2024","0.2119","","","","","","1.181","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508006","12.978","0.004","4.756","0.0009","9.7382","0.0019","90","","97.85","0.02","90","","595.4","0.2","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-180-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0754","0.0709","","","0.1949","0.2058","","","","","","1.173","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508007","12.915","0.002","4.7781","0.0012","9.7968","0.0018","90","","97.468","0.014","90","","599.4","0.2","220","2","220","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-220-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0765","0.0715","","","0.191","0.1963","","","","","","1.118","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508008","12.9084","0.0017","4.8009","0.0011","9.8512","0.0014","90","","97.242","0.012","90","","605.63","0.18","260","2","260","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-260-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0751","0.0693","","","0.1901","0.1965","","","","","","1.128","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508009","12.89","0.003","4.8194","0.0017","9.917","0.003","90","","96.67","0.02","90","","611.9","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-298-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0796","0.0707","","","0.206","0.2153","","","","","","1.161","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508010","7.1786","0.0012","5.1373","0.0007","9.989","0.003","90","","110.829","0.017","90","","344.31","0.13","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-140-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0745","0.0708","","","0.2083","0.2105","","","","","","1.175","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508011","7.2316","0.0014","5.1523","0.0008","10.033","0.003","90","","111.12","0.02","90","","348.71","0.14","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-180-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0744","0.0672","","","0.2165","0.2214","","","","","","1.239","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508012","7.2613","0.0014","5.1409","0.0009","10.05","0.003","90","","111.554","0.018","90","","348.93","0.14","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-220-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0686","0.06","","","0.1787","0.1844","","","","","","1.253","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508013","7.3313","0.0011","5.1522","0.0006","10.104","0.002","90","","111.937","0.015","90","","354.02","0.1","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-260-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0628","0.0516","","","0.1419","0.1498","","","","","","1.134","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508014","7.3738","0.0017","5.152","0.0009","10.151","0.003","90","","112.42","0.02","90","","356.49","0.16","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-298-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0647","0.0497","","","0.135","0.1509","","","","","","1.079","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508015","5.5422","0.0002","9.5516","0.0005","16.0334","0.0006","90","","109.573","0.003","90","","799.71","0.06","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0453","0.0372","","","0.0938","0.0996","","","","","","1.044","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508016","5.5593","0.0004","9.5787","0.0005","16.0203","0.0009","90","","109.33","0.005","90","","805","0.09","204","2","204","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0504","0.0388","","","0.1031","0.1095","","","","","","1.034","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508017","5.5782","0.0004","9.5993","0.0006","16.0146","0.001","90","","109.001","0.006","90","","810.81","0.1","228","2","228","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0564","0.0415","","","0.1091","0.1179","","","","","","1.033","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508018","5.5944","0.0003","9.6053","0.0006","16.0036","0.0008","90","","108.796","0.005","90","","814.11","0.08","252","2","252","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0607","0.0446","","","0.118","0.128","","","","","","1.027","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508019","5.6139","0.0004","9.6291","0.0006","16.0097","0.0013","90","","108.479","0.006","90","","820.81","0.11","276","2","276","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0682","0.0474","","","0.1251","0.14","","","","","","1.033","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508020","5.6416","0.0005","9.6467","0.0006","15.9929","0.0013","90","","108.176","0.007","90","","826.95","0.12","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0741","0.0525","","","0.1518","0.1692","","","","","","1.062","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508021","8.7719","0.0005","5.0668","0.0004","9.8849","0.0007","90","","95.924","0.006","90","","436.99","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-120","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0431","0.0366","","","0.0886","0.0929","","","","","","1.103","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508022","8.7982","0.0006","5.0696","0.0004","9.912","0.0006","90","","96.201","0.006","90","","439.52","0.05","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-140","Octane-1,8-dioic aid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0526","0.0394","","","0.0868","0.0934","","","","","","1.05","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508023","8.8296","0.0006","5.0617","0.0005","9.9496","0.0007","90","","96.65","0.006","90","","441.68","0.06","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-180","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0543","0.042","","","0.1024","0.1101","","","","","","1.092","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508024","8.8774","0.0006","5.0626","0.0004","9.9952","0.0007","90","","97.064","0.006","90","","445.8","0.06","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-220","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.061","0.0411","","","0.0984","0.1119","","","","","","1.044","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508025","8.9252","0.0006","5.0606","0.0004","10.045","0.0008","90","","97.61","0.006","90","","449.71","0.06","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-260","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0683","0.047","","","0.1156","0.1313","","","","","","1.056","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508026","8.957","0.004","5.067","0.004","10.086","0.002","90","","98.15","0.02","90","","453.1","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-298","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0772","0.0502","","","0.1318","0.1467","","","","","","1.064","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508027","5.5124","0.0004","9.4609","0.0006","18.8726","0.0013","90","","95.932","0.007","90","","978.98","0.12","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-120-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0774","0.0689","","","0.1577","0.1612","","","","","","1.181","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508028","5.5209","0.0003","9.4673","0.0007","18.9027","0.0012","90","","96.204","0.006","90","","982.22","0.11","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-140-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0865","0.0705","","","0.1877","0.1943","","","","","","1.203","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508029","5.5365","0.0003","9.4886","0.001","18.9601","0.0014","90","","96.618","0.006","90","","989.41","0.14","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-180-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0993","0.0753","","","0.2071","0.2169","","","","","","1.205","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508030","5.5651","0.0004","9.5356","0.0009","19.0072","0.0016","90","","97.132","0.007","90","","1000.84","0.15","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-220-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0936","0.0755","","","0.2379","0.2463","","","","","","1.227","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508031","5.5902","0.0004","9.5563","0.0009","19.0914","0.0014","90","","97.704","0.007","90","","1010.69","0.14","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-260-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.1138","0.0936","","","0.3371","0.3498","","","","","","1.243","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508032","5.6227","0.0004","9.5985","0.0006","19.1796","0.0013","90","","98.299","0.006","90","","1024.27","0.12","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-298-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.1187","0.0948","","","0.2444","0.2569","","","","","","1.091","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508033","15.085","0.002","5.0126","0.0002","9.7915","0.0013","90","","133.79","0.02","90","","534.5","0.2","120","10","120","10","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-120","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0466","0.0356","","","0.093","0.0998","","","","","","1.077","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508034","15.087","0.002","5.0117","0.0003","9.8394","0.0013","90","","133.75","0.02","90","","537.4","0.2","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-140","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0478","0.0377","","","0.0993","0.1051","","","","","","1.079","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508035","15.071","0.003","4.9903","0.0003","9.9427","0.0017","90","","133.64","0.03","90","","541.2","0.3","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-180","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0518","0.0392","","","0.105","0.1121","","","","","","1.072","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508036","15.048","0.002","4.9778","0.0003","10.014","0.0017","90","","133.45","0.03","90","","544.6","0.3","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-220","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.063","0.0448","","","0.1143","0.1236","","","","","","1.062","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508037","15.035","0.003","4.9739","0.0003","10.066","0.002","90","","133.29","0.04","90","","547.9","0.4","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-260","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0659","0.0475","","","0.13","0.1429","","","","","","1.068","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508038","15.056","0.004","4.9866","0.0005","10.144","0.003","90","","133.14","0.04","90","","555.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-298","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0856","0.0529","","","0.1331","0.1516","","","","","","1.04","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508039","40.819","0.005","5.554","0.0005","7.0928","0.0007","90","","98.086","0.004","90","","1592","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","Sodium naproxen tetrahydrate","","","- C14 H21 Na O7 -","- C14 H13 Na O7 -","- C56 H52 Na4 O28 -","4","1","","Bond, Andrew D.; Cornett, Claus; Larsen, Flemming H.; Qu, Haiyan; Raijada, Dhara; Rantanen, Jukka","Interpreting the Disordered Crystal Structure of Sodium Naproxen Tetrahydrate","Crystal Growth & Design","2013","13","8","3665","","10.1021/cg400688c","","","0.71073","MoKα","","0.0856","0.052","","","0.1172","0.1354","","","","","","1.011","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508040","9.1759","0.0009","9.1769","0.0009","13.6079","0.0014","92.146","0.002","94.031","0.002","115.264","0.001","1030.81","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Olanzapinium hydrogenmalonate","","- C20 H24 N4 O4 S -","- C20 H24 N4 O4 S -","- C40 H48 N8 O8 S2 -","2","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0571","0.0478","","","0.1211","0.1271","","","","","","1.033","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508041","8.805","0.006","9.634","0.006","19.461","0.012","88.035","0.011","83.349","0.011","74.023","0.011","1576.4","1.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Olanzapinium dimaleate monofumaric acid","","- C29 H32 N4 O12 S -","- C29 H32 N4 O12 S -","- C58 H64 N8 O24 S2 -","2","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.1467","0.0972","","","0.1964","0.223","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508042","12.5118","0.001","9.6552","0.0008","19.3403","0.0016","90","","91.066","0.001","90","","2336","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Olanzapinium p-aminobenzoate hemihydrate","","- C24 H27 N5 O3 S -","- C24 H27 N5 O3 S -","- C96 H108 N20 O12 S4 -","4","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0672","0.0605","","","0.154","0.1587","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508043","9.27","0.004","10.539","0.005","15.713","0.007","102.808","0.007","104.176","0.008","95.93","0.008","1431","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Olanzapinium salicylate benzene","","- C33 H35 N4 O3 S -","- C33 H35 N4 O3 S -","- C66 H70 N8 O6 S2 -","2","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.123","0.083","","","0.1593","0.1745","","","","","","1.124","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508044","24.549","0.002","12.5131","0.0011","15.1433","0.0013","90","","125.467","0.001","90","","3788.6","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Olanzapine acetonitrile monohydrate","","- C17 H20 N4 O S -","- C17 H20 N4 O S -","- C136 H160 N32 O8 S8 -","8","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0545","0.05","","","0.1412","0.145","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508045","24.541","0.007","12.459","0.003","15.178","0.004","90","","125.485","0.004","90","","3778.8","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Olanzapine ethanol monohydrate","","- C18 H22 N4 O1.5 S -","- C18 H22 N4 O1.5 S -","- C144 H176 N32 O12 S8 -","8","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0792","0.0591","","","0.1545","0.1681","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508046","24.85","0.004","12.4355","0.0017","15.128","0.002","90","","125.521","0.002","90","","3804.9","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Olanzapine nitromethane monohydrate","","- C17 H20 N4 O S -","- C17 H20 N4 O S -","- C136 H160 N32 O8 S8 -","8","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0794","0.0691","","","0.1695","0.1772","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508047","24.628","0.003","12.5833","0.0015","15.2002","0.0018","90","","125.803","0.002","90","","3820.4","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Olanzapine acetone monohydrate","","- C18.5 H25 N4 O1.5 S -","- C18.5 H25 N4 O1.5 S -","- C148 H200 N32 O12 S8 -","8","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0595","0.0523","","","0.1472","0.1538","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508048","20.085","0.002","3.7591","0.0004","8.2934","0.001","90","","90","","90","","626.16","0.12","293","2","293","2","","","","","","","synthesis as described","3","P n a 21","P 2c -2n","33","","","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","","Clevers, Simon; Simon, Florent; Sanselme, Morgane; Dupray, Valerie; Coquerel, Gerard","Monotropic Transition Mechanism ofm-Hydroxybenzoic Acid Investigated by Temperature-Resolved Second Harmonic Generation","Crystal Growth & Design","2013","13","8","3697","","10.1021/cg400712s","","x-ray","0.71073","MoKα","","0.0332","0.0319","","","0.0859","0.0871","","","","","","1.052","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508049","6.4777","0.0005","5.0082","0.0004","8.9897","0.0008","90","","95.679","0.008","90","","290.21","0.04","119.9","","119.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lithium tartrate","Dilithium meso-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C8 H8 Li4 O12 -","2","0.5","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.7107","MoKα","","0.0612","0.0459","","","0.1149","0.132","","","","","","1.041","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508050","9.688","0.0005","5.3821","0.0002","11.409","0.0006","90","","93.959","0.005","90","","593.47","0.05","120.1","","120.1","","","","","","","","","4","C 1 c 1","C -2yc","9","Lithium tartrate","Dilithium meso-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.7107","MoKα","","0.0386","0.0343","","","0.0749","0.0778","","","","","","1.062","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508051","12.0809","0.0015","4.9703","0.0006","9.4471","0.0011","90","","91.241","0.011","90","","567.12","0.12","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lithium tartrate","Dilithium D,L-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.71073","","","0.0617","0.0495","","","0.1238","0.1288","","","","","","0.976","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508052","15.153","0.006","5.0136","0.0008","10.376","0.004","90","","131.89","0.06","90","","586.8","0.6","120","","120","","","","","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate","Dilithium L-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.7107","MoKα","","0.0225","0.0221","","","0.0578","0.0581","","","","","","1.046","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508053","16.6972","0.0019","16.6972","0.0019","14.3042","0.0018","90","","90","","120","","3453.7","0.7","200","2","200","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C12 H8.58 O3.33 Zn0.5 -","- C12 H5 O3.33333 Zn0.5 -","- C144 H60 O40 Zn6 -","12","1","","Chaudhari, Abhijeet K.; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.","A Continuous π-Stacked Starfish Array of Two-Dimensional Luminescent MOF for Detection of Nitro Explosives","Crystal Growth & Design","2013","13","8","3716","","10.1021/cg400749m","","","0.71073","MoKα","","0.0957","0.0812","","","0.2488","0.2616","","","","","","1.259","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508054","16.6972","0.0019","16.6972","0.0019","14.3042","0.0018","90","","90","","120","","3453.7","0.7","200","2","200","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C9 H5.67 O3.33 Zn0.5 -","- C9 H5 O3.33333 Zn0.5 -","- C108 H60 O40 Zn6 -","12","1","","Chaudhari, Abhijeet K.; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.","A Continuous π-Stacked Starfish Array of Two-Dimensional Luminescent MOF for Detection of Nitro Explosives","Crystal Growth & Design","2013","13","8","3716","","10.1021/cg400749m","","","0.71073","MoKα","","0.0527","0.0424","","","0.1312","0.142","","","","","","0.666","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508055","15.045","0.005","20.017","0.004","9.736","0.005","90","","94.604","0.005","90","","2922.6","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cd Fe N6 O7 -","- C30 H22 Cd Fe N6 O7 -","- C120 H88 Cd4 Fe4 N24 O28 -","4","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.0961","0.0562","","","0.1275","0.1612","","","","","","1.024","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508056","16.023","0.005","24.182","0.006","10.566","0.005","90","","104.666","0.005","90","","3961","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cd N6 O4 -","- C40 H30 Cd N6 O4 -","- C160 H120 Cd4 N24 O16 -","4","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.076","0.0556","","","0.1415","0.155","","","","","","0.995","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508057","15.526","0.004","12.813","0.003","10.324","0.002","90","","104.633","0.004","90","","1987.2","0.8","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H30 N6 O4 Zn -","- C40 H30 N6 O4 Zn -","- C80 H60 N12 O8 Zn2 -","2","0.5","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.1051","0.0857","","","0.2363","0.2475","","","","","","1.068","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508058","8.055","0.005","17.819","0.005","18.976","0.005","90","","100.336","0.005","90","","2679","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cd N6 O4 -","- C32 H22 Cd N6 O4 -","- C128 H88 Cd4 N24 O16 -","4","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.0733","0.045","","","0.1021","0.1373","","","","","","1.043","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508059","29.729","0.004","16.864","0.005","10.889","0.003","90","","92.976","0.005","90","","5452","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H46 Cd2 N12 O11 -","- C64 H46 Cd2 N12 O11 -","- C256 H184 Cd8 N48 O44 -","4","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.0479","0.0329","","","0.0702","0.0764","","","","","","1.031","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508060","11.857","0.005","12.448","0.003","22.213","0.005","101.996","0.005","99.977","0.005","107.559","0.005","2958","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H44 Cd2 N12 O12 -","- C65 H44 Cd2 N12 O12 -","- C130 H88 Cd4 N24 O24 -","2","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.0929","0.0699","","","0.1874","0.234","","","","","","1.068","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508061","11.443","0.005","12.965","0.003","17.669","0.005","99.748","0.005","101.328","0.005","103.586","0.005","2433.7","1.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C98 H76 N30 O10 Zn3 -","- C98 H76 N30 O10 Zn3 -","- C98 H76 N30 O10 Zn3 -","1","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.104","0.0848","","","0.2247","0.248","","","","","","1.015","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508062","8.733","0.002","22.98","0.005","16.283","0.004","90","","90","","90","","3267.7","1.3","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C32 H21 Br2 Co N8 O9 -","- C32 H21 Br2 Co N8 O9 -","- C128 H84 Br8 Co4 N32 O36 -","4","0.5","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.1239","0.0954","","","0.2521","0.2782","","","","","","1.048","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508063","6.1278","0.0004","21.8261","0.0013","23.286","0.0013","90","","93.091","0.001","90","","3109.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N O3 -","- C16 H22 N O3 -","- C128 H176 N8 O24 -","8","4","","Pang, Xue; Zhao, Xiao Ran; Wang, Hui; Sun, Hao-Ling; Jin, Wei Jun","Modulating Crystal Packing and Magnetic Properties of Nitroxide Free Radicals by Halogen Bonding","Crystal Growth & Design","2013","13","8","3739","","10.1021/cg400776x","","","0.71073","MoKα","","0.0707","0.0526","","","0.1377","0.1516","","","","","","1.041","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508064","20.4065","0.0014","6.3085","0.0004","19.1306","0.0014","90","","90","","90","","2462.8","0.3","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H22 F4 I2 N O3 -","- C22 H22 F4 I2 N O3 -","- C88 H88 F16 I8 N4 O12 -","4","1","","Pang, Xue; Zhao, Xiao Ran; Wang, Hui; Sun, Hao-Ling; Jin, Wei Jun","Modulating Crystal Packing and Magnetic Properties of Nitroxide Free Radicals by Halogen Bonding","Crystal Growth & Design","2013","13","8","3739","","10.1021/cg400776x","","","0.71073","MoKα","","0.0347","0.0271","","","0.0512","0.0544","","","","","","0.984","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508065","9.8175","0.0006","13.4664","0.0008","14.4858","0.0008","113.295","0.001","95.788","0.001","105.232","0.001","1651.29","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 F8 I4 N O3 -","- C28 H22 F8 I4 N O3 -","- C56 H44 F16 I8 N2 O6 -","2","1","","Pang, Xue; Zhao, Xiao Ran; Wang, Hui; Sun, Hao-Ling; Jin, Wei Jun","Modulating Crystal Packing and Magnetic Properties of Nitroxide Free Radicals by Halogen Bonding","Crystal Growth & Design","2013","13","8","3739","","10.1021/cg400776x","","","0.71073","MoKα","","0.0348","0.0285","","","0.0669","0.0697","","","","","","1.067","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508066","17.2454","0.0008","17.2454","0.0008","84.294","0.006","90","","90","","120","","21711","2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H45 Co7 N0 O36 -","- C54 H39 Co7 O36 -","- C648 H468 Co84 O432 -","12","0.333333","","Tian, Chongbin; Lin, Zujin; Du, Shaowu","Three New Three-Dimensional Frameworks Based on Hepta-, Hexa-, and Pentanuclear Cobalt Clusters Derived from Substituted Isophthalic Acids: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2013","13","8","3746","","10.1021/cg4007789","","","0.71073","MoKα","","0.0572","0.0537","","","0.1595","0.1643","","","","","","1.091","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508067","11.0815","0.0014","12.6742","0.0019","14.523","0.002","91.853","0.008","92.757","0.006","97.818","0.009","2016.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H86 Co6 N2 O28 -","- C74 H76 Co6 N2 O28 -","- C74 H76 Co6 N2 O28 -","1","0.5","","Tian, Chongbin; Lin, Zujin; Du, Shaowu","Three New Three-Dimensional Frameworks Based on Hepta-, Hexa-, and Pentanuclear Cobalt Clusters Derived from Substituted Isophthalic Acids: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2013","13","8","3746","","10.1021/cg4007789","","","0.71073","MoKα","","0.0559","0.0475","","","0.1443","0.1543","","","","","","1.026","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508068","14.3747","0.0015","23.957","0.003","18.633","0.002","90","","90","","90","","6416.7","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H46 Co5 N0 O28 -","- C54 H38 Co5 O28 -","- C216 H152 Co20 O112 -","4","1","","Tian, Chongbin; Lin, Zujin; Du, Shaowu","Three New Three-Dimensional Frameworks Based on Hepta-, Hexa-, and Pentanuclear Cobalt Clusters Derived from Substituted Isophthalic Acids: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2013","13","8","3746","","10.1021/cg4007789","","","0.71073","MoKα","","0.0439","0.0407","","","0.1233","0.1283","","","","","","1.077","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508069","12.1709","0.0011","17.4598","0.0013","16.8831","0.0015","90","","95.199","0.004","90","","3572.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Cl4 N12 O22 Pd2 -","- C44 H72 Cl4 N12 O22 Pd2 -","- C88 H144 Cl8 N24 O44 Pd4 -","2","0.5","","Tripathy, Debakanta; Ramkumar, Venkatachalam; Chand, Dillip K.","Toppled Molecular-Domino Sets by Self-Assembly of Self-assembly: The π-Polymers","Crystal Growth & Design","2013","13","8","3763","","10.1021/cg400781x","","","0.71073","MoKα","","0.1043","0.074","","","0.2138","0.2429","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508070","20.461","0.004","16.581","0.003","11.713","0.002","90","","103.48","0.03","90","","3864.3","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 N16 O32 Pd2 -","- C56 H56 N16 O32 Pd2 -","- C112 H112 N32 O64 Pd4 -","2","0.5","","Tripathy, Debakanta; Ramkumar, Venkatachalam; Chand, Dillip K.","Toppled Molecular-Domino Sets by Self-Assembly of Self-assembly: The π-Polymers","Crystal Growth & Design","2013","13","8","3763","","10.1021/cg400781x","","","0.71073","MoKα","","0.0672","0.0479","","","0.1359","0.1517","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508071","19.3948","0.0007","8.9515","0.0003","20.0301","0.0006","90","","113.908","0.001","90","","3179.1","0.18","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 Cl4 N14 O16 Pd2 -","- C56 H62 Cl4 N14 O16 Pd2 -","- C112 H124 Cl8 N28 O32 Pd4 -","2","0.5","","Tripathy, Debakanta; Ramkumar, Venkatachalam; Chand, Dillip K.","Toppled Molecular-Domino Sets by Self-Assembly of Self-assembly: The π-Polymers","Crystal Growth & Design","2013","13","8","3763","","10.1021/cg400781x","","","0.71073","MoKα","","0.04","0.034","","","0.0913","0.098","","","","","","1.057","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508072","28.0444","0.001","9.7439","0.0003","13.8917","0.0006","90","","115.716","0.005","90","","3420.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) alpha","","- C16 H17 Mo N3 O6 -","- C16 H17 Mo N3 O6 -","- C128 H136 Mo8 N24 O48 -","8","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0271","0.0227","","","0.0634","0.0649","","","","","","1.058","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508073","6.6894","0.0002","7.951","0.0003","16.545","0.0004","89.648","0.002","88.077","0.002","86.684","0.003","878.01","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) beta","","- C16 H17 Mo N3 O6 -","- C16 H17 Mo N3 O6 -","- C32 H34 Mo2 N6 O12 -","2","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0497","0.0296","","","0.0478","0.0507","","","","","","0.921","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508074","8.2387","0.0013","14.45","0.002","14.9022","0.0018","87.511","0.011","83.424","0.012","87.411","0.013","1759.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) gamma","","- C16 H17 Mo N3 O6 -","- C16 H17 Mo N3 O6 -","- C64 H68 Mo4 N12 O24 -","4","2","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0724","0.0544","","","0.1471","0.1586","","","","","","0.985","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508075","28.8951","0.0007","9.6243","0.0002","27.6282","0.0006","90","","90.607","0.002","90","","7682.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cyclo-(tetrakis(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N,N') tetrakis(cis-dioxo molybdenum(VI))-dichloromethane(1/2.5)","","- C30.5 H27 Cl5 Mo2 N6 O10 -","- C30.5 H26 Cl5 Mo2 N6 O10 -","- C244 H208 Cl40 Mo16 N48 O80 -","8","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0417","0.034","","","0.0754","0.0789","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508076","12.8761","0.0007","11.2127","0.0005","17.966","0.0008","90","","100.514","0.005","90","","2550.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","γ-picoline(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) γ-picoline solvate","","- C26 H25 Mo N5 O5 -","- C26 H25 Mo N5 O5 -","- C104 H100 Mo4 N20 O20 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.044","0.0335","","","0.0806","0.0899","","","","","","1.076","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508077","12.1954","0.0002","10.7126","0.0002","14.7474","0.0002","90","","97.317","0.002","90","","1910.98","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridine(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI)","","- C19 H16 Mo N4 O5 -","- C19 H16 Mo N4 O5 -","- C76 H64 Mo4 N16 O20 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0318","0.0274","","","0.075","0.0775","","","","","","1.072","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508078","7.4961","0.0004","11.6335","0.0006","11.938","0.0006","110.363","0.005","102.375","0.004","98.315","0.004","925.62","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","dimethyl sulfoxide(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)- cis-dioxomolybdenum(VI)","","- C16 H17 Mo N3 O6 S -","- C16 H17 Mo N3 O6 S -","- C32 H34 Mo2 N6 O12 S2 -","2","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0287","0.0243","","","0.0569","0.0585","","","","","","1.058","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508079","6.0616","0.0004","10.9133","0.0007","12.8782","0.0007","72.017","0.003","79.418","0.003","78.143","0.003","786.37","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Na2 O6 S -","- C14 H8 Na2 O6 S -","- C28 H16 Na4 O12 S2 -","2","1","","Senthil Raja, Duraisamy; Luo, Jheng-Hong; Wu, Cheng-You; Cheng, Yu-Jung; Yeh, Chun-Ting; Chen, Ya-Ting; Lo, Sheng-Han; Lai, Yu-Lun; Lin, Chia-Her","Solvothermal Synthesis, Structural Diversity, and Properties of Alkali Metal‒Organic Frameworks Based on V-shaped Ligand","Crystal Growth & Design","2013","13","8","3785","","10.1021/cg400801s","","","0.71073","MoKα","","0.0765","0.0703","","","0.1541","0.1564","","","","","","1.189","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508080","25.8796","0.0005","13.3553","0.0003","23.34","0.0005","90","","110.287","0.001","90","","7566.6","0.3","295","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H43 K8 N O27 S4 -","- C59 H43 K8 N O27 S4 -","- C236 H172 K32 N4 O108 S16 -","4","0.5","","Senthil Raja, Duraisamy; Luo, Jheng-Hong; Wu, Cheng-You; Cheng, Yu-Jung; Yeh, Chun-Ting; Chen, Ya-Ting; Lo, Sheng-Han; Lai, Yu-Lun; Lin, Chia-Her","Solvothermal Synthesis, Structural Diversity, and Properties of Alkali Metal‒Organic Frameworks Based on V-shaped Ligand","Crystal Growth & Design","2013","13","8","3785","","10.1021/cg400801s","","","0.71073","MoKα","","0.1246","0.0663","","","0.2446","0.2921","","","","","","1.055","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508081","12.1526","0.0004","4.8183","0.0002","12.3055","0.0004","90","","109.222","0.002","90","","680.38","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H8 O6 Rb S -","- C14 H8 O6 Rb S -","- C28 H16 O12 Rb2 S2 -","2","0.5","","Senthil Raja, Duraisamy; Luo, Jheng-Hong; Wu, Cheng-You; Cheng, Yu-Jung; Yeh, Chun-Ting; Chen, Ya-Ting; Lo, Sheng-Han; Lai, Yu-Lun; Lin, Chia-Her","Solvothermal Synthesis, Structural Diversity, and Properties of Alkali Metal‒Organic Frameworks Based on V-shaped Ligand","Crystal Growth & Design","2013","13","8","3785","","10.1021/cg400801s","","","0.71073","MoKα","","0.0676","0.0461","","","0.1171","0.1264","","","","","","1.075","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508082","6.0544","0.0002","12.4991","0.0003","14.7539","0.0005","114.462","0.001","93.213","0.001","100.177","0.001","989.83","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Cs N O8 S -","- C17 H17 Cs N O8 S -","- C34 H34 Cs2 N2 O16 S2 -","2","1","","Senthil Raja, Duraisamy; Luo, Jheng-Hong; Wu, Cheng-You; Cheng, Yu-Jung; Yeh, Chun-Ting; Chen, Ya-Ting; Lo, Sheng-Han; Lai, Yu-Lun; Lin, Chia-Her","Solvothermal Synthesis, Structural Diversity, and Properties of Alkali Metal‒Organic Frameworks Based on V-shaped Ligand","Crystal Growth & Design","2013","13","8","3785","","10.1021/cg400801s","","","0.71073","MoKα","","0.0227","0.0213","","","0.0568","0.0578","","","","","","1.081","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508083","5.7629","0.0012","9.6524","0.0019","18.3","0.004","105.13","0.03","92.04","0.03","97.68","0.03","971.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 La O11 P2 -","- C16 H17 La O11 P2 -","- C32 H34 La2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0553","0.0499","","","0.0978","0.1002","","","","","","1.079","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508084","5.742","0.003","9.574","0.004","18.271","0.01","105.13","0.019","92.58","0.02","97.44","0.02","958.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Ce O11 P2 -","- C16 H17 Ce O11 P2 -","- C32 H34 Ce2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0301","0.0261","","","0.0843","0.1046","","","","","","1.244","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508085","5.733","0.0011","9.5336","0.0019","18.32","0.004","104.92","0.03","92.48","0.03","97.31","0.03","956.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 O11 P2 Pr -","- C16 H17 O11 P2 Pr -","- C32 H34 O22 P4 Pr2 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0185","0.0177","","","0.0443","0.0445","","","","","","1.094","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508086","5.728","0.0011","9.5108","0.0019","18.379","0.004","104.68","0.03","92.6","0.03","97.38","0.03","957.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Nd O11 P2 -","- C16 H17 Nd O11 P2 -","- C32 H34 Nd2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0211","0.0192","","","0.0429","0.0436","","","","","","1.081","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508087","5.7113","0.0011","9.4497","0.0019","18.326","0.004","104.47","0.03","92.56","0.03","97.42","0.03","946.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 O11 P2 Sm -","- C16 H17 O11 P2 Sm -","- C32 H34 O22 P4 Sm2 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.032","0.029","","","0.0639","0.0649","","","","","","1.077","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508088","5.6768","0.0011","9.3899","0.0019","18.342","0.004","104.31","0.03","92.64","0.03","97.22","0.03","936.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Eu O11 P2 -","- C16 H17 Eu O11 P2 -","- C32 H34 Eu2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0218","0.0198","","","0.044","0.0446","","","","","","1.03","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508089","5.6641","0.0011","9.379","0.0019","18.359","0.004","104.23","0.03","92.26","0.03","97.44","0.03","934.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Gd O11 P2 -","- C16 H17 Gd O11 P2 -","- C32 H34 Gd2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0194","0.0185","","","0.0588","0.0592","","","","","","1.211","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508090","5.6716","0.0011","9.3586","0.0019","18.379","0.004","104.11","0.03","92.62","0.03","97.36","0.03","935.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 O11 P2 Tb -","- C16 H17 O11 P2 Tb -","- C32 H34 O22 P4 Tb2 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0287","0.0267","","","0.0658","0.0666","","","","","","1.053","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508091","6.8748","0.0003","10.7986","0.0004","18.2305","0.0007","90","","94.223","0.004","90","","1349.73","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CBTA.BPE Form-I","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0511","0.0395","","","0.0907","0.0976","","","","","","1.02","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508092","6.9104","0.0002","10.8234","0.0004","18.2296","0.0006","90","","94.294","0.003","90","","1359.64","0.08","156","2","156","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0547","0.0394","","","0.0903","0.0979","","","","","","1.034","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508093","6.9338","0.0003","10.8248","0.0004","18.2357","0.0007","90","","94.401","0.004","90","","1364.68","0.09","192","2","192","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0574","0.04","","","0.0926","0.1028","","","","","","1.017","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508094","6.9716","0.0003","10.8431","0.0004","18.2505","0.0006","90","","94.553","0.004","90","","1375.27","0.09","228","2","228","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0606","0.0422","","","0.0969","0.1076","","","","","","1.038","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508095","7.0029","0.0003","10.836","0.0004","18.2332","0.0007","90","","94.677","0.004","90","","1378.99","0.09","264","2","264","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0765","0.0468","","","0.1007","0.1175","","","","","","1.024","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508096","7.0554","0.0006","10.8554","0.0007","18.2901","0.001","90","","94.888","0.007","90","","1395.73","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CBTA.BPE Form-I","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.081","0.0495","","","0.1048","0.1195","","","","","","1.043","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508097","7.3413","0.0006","11.2894","0.0009","18.0267","0.001","74.151","0.006","89.959","0.006","71.697","0.007","1358.6","0.19","120","6","120","6","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1381","0.1005","","","0.2728","0.3238","","","","","","1.045","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508098","7.3787","0.0004","11.3067","0.0005","18.0459","0.0008","73.991","0.004","89.73","0.004","71.657","0.004","1368.06","0.12","156","2","156","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0979","0.0756","","","0.1923","0.2144","","","","","","1.039","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508099","7.3932","0.0004","11.3015","0.0006","18.0214","0.0009","74.256","0.005","89.781","0.005","71.829","0.005","1371.61","0.14","192","2","192","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1035","0.0761","","","0.1931","0.2176","","","","","","1.048","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508100","7.4344","0.0003","11.3195","0.0006","18.0616","0.001","74.321","0.005","89.68","0.004","71.924","0.004","1386.07","0.13","228","2","228","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1063","0.0777","","","0.1872","0.2101","","","","","","1.034","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508101","7.4722","0.0004","11.3259","0.0006","18.0537","0.001","74.282","0.005","89.53","0.004","71.922","0.005","1393.33","0.14","264","2","264","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1118","0.0765","","","0.1911","0.2192","","","","","","1.054","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508102","7.4898","0.0003","11.3144","0.0007","18.0141","0.001","74.261","0.005","89.423","0.004","71.923","0.005","1392.21","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1185","0.0769","","","0.1869","0.218","","","","","","1.035","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508103","17.2532","0.0005","12.9657","0.0004","6.6115","0.0002","90","","111.443","0.002","90","","1376.62","0.07","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H30 Mg3 O24 -","- C18 H30 Mg3 O24 -","- C36 H60 Mg6 O48 -","2","0.5","","Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša","Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition","Crystal Growth & Design","2013","13","8","3825","","10.1021/cg400929z","","","0.71073","MoKα","","0.0465","0.0365","","","0.0841","0.0891","","","","","","1.055","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508104","7.8423","0.0005","8.7463","0.0005","10.7163","0.0008","101.274","0.003","91.868","0.003","96.042","0.003","715.79","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 Mg2 O13 -","- C9 H14 Mg2 O13 -","- C18 H28 Mg4 O26 -","2","1","","Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša","Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition","Crystal Growth & Design","2013","13","8","3825","","10.1021/cg400929z","","","0.71073","MoKα","","0.1233","0.0902","","","0.2508","0.2721","","","","","","1.143","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508105","7.7922","0.0002","7.7932","0.0002","7.7929","0.0002","66.135","0.004","66.148","0.004","66.148","0.004","379.06","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 Mg3 O12 -","- C18 H6 Mg3 O12 -","- C18 H6 Mg3 O12 -","1","0.5","","Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša","Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition","Crystal Growth & Design","2013","13","8","3825","","10.1021/cg400929z","","","0.71073","MoKα","","0.1413","0.0854","","","0.2111","0.2552","","","","","","1.074","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508106","5.1286","0.0001","12.9832","0.0004","15.1717","0.0004","90","","97.17","0.05","90","","1002.32","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Mg O16 -","- C18 H18 Mg O16 -","- C36 H36 Mg2 O32 -","2","0.5","","Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša","Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition","Crystal Growth & Design","2013","13","8","3825","","10.1021/cg400929z","","","0.71073","MoKα","","0.0569","0.0381","","","0.1086","0.1485","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508107","8.7517","0.0054","13.6019","0.0083","14.2104","0.0085","103.154","0.01","107.059","0.01","92.307","0.01","1564.3","1.7","110","2","110","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C19 H16 N4 -","- C19 H16 N4 -","- C76 H64 N16 -","4","2","","Val, Cristina; Crespo, Abel; Yaziji, Vicente; Coelho, Alberto; Azuaje, Jhonny; El Maatougui, Abdelaziz; Carbajales, Carlos; Sotelo, Eddy","Three-Component Assembly of Structurally Diverse 2-Aminopyrimidine-5-carbonitriles","ACS Combinatorial Science","2013","15","7","370","","10.1021/co4000503","","x-ray","0.7107","MoKα","","0.095","0.059","","","0.1487","0.1747","","","","","","0.973","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508108","13.2429","0.001","15.8911","0.0011","22.1933","0.0015","90","","90","","90","","4670.5","0.6","176","2","176","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27.5 H33 N3 O3 -","- C25 H27 N3 O3 -","- C200 H216 N24 O24 -","8","2","","Granger, Brett A.; Wang, Zhiqian; Kaneda, Kyosuke; Fang, Zhenglai; Martin, Stephen F.","Multicomponent Assembly Processes for the Synthesis of DiverseYohimbineandCorynantheAlkaloid Analogues","ACS Combinatorial Science","2013","15","7","379","","10.1021/co400055b","","","0.71075","MoKα","","0.1113","0.0721","","","0.1599","0.1709","","","","","","1.204","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508109","11.6786","0.0009","19.4125","0.0016","11.7398","0.0009","90","","104.932","0.001","90","","2571.7","0.4","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Br N6 O4 Re -","- C25 H20 Br N6 O4 Re -","- C100 H80 Br4 N24 O16 Re4 -","4","1","","Andrade, Gabriel A.; Pistner, Allen J.; Yap, Glenn P. A.; Lutterman, Daniel A.; Rosenthal, Joel","Photocatalytic Conversion of CO2to CO Using Rhenium Bipyridine Platforms Containing Ancillary Phenyl or BODIPY Moieties","ACS Catalysis","2013","3","8","1685","","10.1021/cs400332y","","","0.71073","MoKα","","0.0647","0.0495","","","0.136","0.1488","","","","","","1.025","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508110","14.843","0.003","16.907","0.004","17.478","0.004","90","","93.767","0.004","90","","4376.6","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C8H14[OSSO]V(=O)(OPr)3","C8H14[OSSO]V(=O)(OPr)3","","- C44 H72 O4 S2 V -","- C44 H72 O4 S2 V -","- C176 H288 O16 S8 V4 -","4","1","","Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko","Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand","ACS Catalysis","2013","3","8","1764","","10.1021/cs4003996","","","0.71075","MoKα","","0.0787","0.0627","","","0.1483","0.1604","","","","","","1.055","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508111","17.747","0.005","15.722","0.004","19.957","0.006","90","","103.391","0.004","90","","5417","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","C8H14[OSSO]NbCl3","C8H14[OSSO]NbCl3","","- C56 H70 Cl3 Nb O2 S2 -","- C56 H70 Cl3 Nb O2 S2 -","- C224 H280 Cl12 Nb4 O8 S8 -","4","1","","Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko","Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand","ACS Catalysis","2013","3","8","1764","","10.1021/cs4003996","","","0.71075","MoKα","","0.0854","0.0634","","","0.1493","0.1659","","","","","","1.077","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508112","14.0634","0.0012","11.496","0.001","14.0371","0.0012","90","","101.661","0.0014","90","","2222.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","C8H14[OSSO]TaCl3","C8H14[OSSO]TaCl3","","- C44 H64 Cl3 O2 S2 Ta -","- C44 H64 Cl3 O2 S2 Ta -","- C88 H128 Cl6 O4 S4 Ta2 -","2","1","","Toda, Tomoyuki; Nakata, Norio; Matsuo, Tsukasa; Ishii, Akihiko","Synthesis, Structure, and 1-Hexene Polymerization Catalytic Ability of Group 5 Metal Complexes Incorporating an [OSSO]-Type Ligand","ACS Catalysis","2013","3","8","1764","","10.1021/cs4003996","","","0.71075","MoKα","","0.0234","0.0232","","","0.0587","0.0588","","","","","","1.059","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508113","5.6792","0.0003","8.3977","0.0004","16.9273","0.0007","90","","90.392","0.002","90","","807.28","0.07","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O5 -","- C17 H21 N O5 -","- C34 H42 N2 O10 -","2","1","","Majumder, Joydeb; Das, Mahua Rani; Deb, Jolly; Jana, Siddhartha Sankar; Dastidar, Parthasarathi","β-Amino Acid and Amino-Alcohol Conjugation of a Nonsteroidal Anti-Inflammatory Drug (NSAID) Imparts Hydrogelation Displaying Remarkable Biostability, Biocompatibility, and Anti-Inflammatory Properties.","Langmuir : the ACS journal of surfaces and colloids","2013","29","32","10254","10263","10.1021/la401929v","","","0.71073","MoKα","","0.0432","0.0322","","","0.0767","0.0976","","","","","","0.704","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508114","6.564","0.0014","8.4072","0.0017","18.343","0.004","101.06","0.006","94.93","0.006","98.137","0.006","976.8","0.4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C40 H52 N4 O12 -","2","2","","Majumder, Joydeb; Das, Mahua Rani; Deb, Jolly; Jana, Siddhartha Sankar; Dastidar, Parthasarathi","β-Amino Acid and Amino-Alcohol Conjugation of a Nonsteroidal Anti-Inflammatory Drug (NSAID) Imparts Hydrogelation Displaying Remarkable Biostability, Biocompatibility, and Anti-Inflammatory Properties.","Langmuir : the ACS journal of surfaces and colloids","2013","29","32","10254","10263","10.1021/la401929v","","","0.71073","MoKα","","0.0525","0.0426","","","0.1196","0.1365","","","","","","0.976","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508115","9.749","0.017","12.66","0.02","17.06","0.03","87.01","0.05","88.51","0.05","77.84","0.07","2055","6","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","[Co3(TBTC)2(DMF)2]","","","- C72 H54 Co3 N2 O20 -","- C72 H54 Co3 N2 O20 -","- C72 H54 Co3 N2 O20 -","1","0.5","","Li, Wei-Jin; Gao, Shui-Ying; Liu, Tian-Fu; Han, Li-Wei; Lin, Zu-Jin; Cao, Rong","In situ growth of metal-organic framework thin films with gas sensing and molecule storage properties.","Langmuir : the ACS journal of surfaces and colloids","2013","29","27","8657","8664","10.1021/la402012d","","","0.71073","MoKα","","0.1281","0.0862","","","0.224","0.2565","","","","","","0.855","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508116","9.242","0.0018","18.201","0.004","9.727","0.0019","90","","105.11","0.03","90","","1579.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd N2 O5 -","- C16 H14 Cd N2 O5 -","- C64 H56 Cd4 N8 O20 -","4","1","","Wang, Fang; Jing, Xuemin; Zheng, Bing; Li, Guanghua; Zeng, Guang; Huo, Qisheng; Liu, Yunling","Four Cd-Based Metal‒Organic Frameworks with Structural Varieties Derived from the Replacement of Organic Linkers","Crystal Growth & Design","2013","13","8","3522","","10.1021/cg400486q","","","0.71073","MoKα","","0.0348","0.0315","","","0.0849","0.0862","","","","","","1.045","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508117","10.17","0.002","20.659","0.004","7.672","0.0015","90","","104.26","0.03","90","","1562.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cd N O6 -","- C17 H15 Cd N O6 -","- C68 H60 Cd4 N4 O24 -","4","0.5","","Wang, Fang; Jing, Xuemin; Zheng, Bing; Li, Guanghua; Zeng, Guang; Huo, Qisheng; Liu, Yunling","Four Cd-Based Metal‒Organic Frameworks with Structural Varieties Derived from the Replacement of Organic Linkers","Crystal Growth & Design","2013","13","8","3522","","10.1021/cg400486q","","","0.71073","MoKα","","0.0235","0.0223","","","0.0587","0.0592","","","","","","1.156","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508118","10.226","0.002","20.706","0.004","7.5525","0.0015","90","","90","","90","","1599.2","0.5","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C17 H11 Cd N3 O4 -","- C17 H7 Cd N3 O4 -","- C68 H28 Cd4 N12 O16 -","4","0.25","","Wang, Fang; Jing, Xuemin; Zheng, Bing; Li, Guanghua; Zeng, Guang; Huo, Qisheng; Liu, Yunling","Four Cd-Based Metal‒Organic Frameworks with Structural Varieties Derived from the Replacement of Organic Linkers","Crystal Growth & Design","2013","13","8","3522","","10.1021/cg400486q","","","0.71073","MoKα","","0.059","0.0447","","","0.0968","0.1011","","","","","","1.067","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508119","20.827","0.004","10.148","0.002","11.79","0.002","90","","105.86","0.03","90","","2397","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C23 H16 Cd N3 O4.5 -","- C23 H7 Cd N3 O4.515 -","- C92 H28 Cd4 N12 O18.06 -","4","0.5","","Wang, Fang; Jing, Xuemin; Zheng, Bing; Li, Guanghua; Zeng, Guang; Huo, Qisheng; Liu, Yunling","Four Cd-Based Metal‒Organic Frameworks with Structural Varieties Derived from the Replacement of Organic Linkers","Crystal Growth & Design","2013","13","8","3522","","10.1021/cg400486q","","","0.71073","MoKα","","0.0637","0.0569","","","0.1579","0.1615","","","","","","1.144","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508120","20.8562","0.0017","10.5301","0.0009","10.838","0.0009","90","","107.806","0.0012","90","","2266.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis,cis,trans-diamminedichlorobis(dichloroactetato)platinum(IV) bis(dimethylformamide) solvate","","- C10 H22 Cl6 N4 O6 Pt -","- C10 H22 Cl6 N4 O6 Pt -","- C40 H88 Cl24 N16 O24 Pt4 -","4","0.5","","Johnstone, Timothy C.; Kulak, Nora; Pridgen, Eric M.; Farokhzad, Omid C.; Langer, Robert; Lippard, Stephen J.","Nanoparticle encapsulation of mitaplatin and the effect thereof on in vivo properties.","ACS nano","2013","7","7","5675","5683","10.1021/nn401905g","","","0.71073","MoKα","","0.037","0.0341","","","0.0835","0.0856","","","","","","1.046","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508121","9.6269","0.0006","10.3718","0.0006","12.0448","0.0008","93.342","0.001","104.495","0.001","111.623","0.001","1067.19","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H20 Cl6 N2 O6 Pt S2 -","- C8 H20 Cl6 N2 O6 Pt S2 -","- C16 H40 Cl12 N4 O12 Pt2 S4 -","2","1","","Johnstone, Timothy C.; Kulak, Nora; Pridgen, Eric M.; Farokhzad, Omid C.; Langer, Robert; Lippard, Stephen J.","Nanoparticle encapsulation of mitaplatin and the effect thereof on in vivo properties.","ACS nano","2013","7","7","5675","5683","10.1021/nn401905g","","","0.71073","MoKα","","0.0162","0.0161","","","0.0558","0.0559","","","","","","1.208","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508122","47.4","0.004","9.611","0.0007","17.8051","0.0013","90","","92.21","0.001","90","","8105.3","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 Co3 N8 O18 -","- C58 H44 Co3 N8 O18 -","- C232 H176 Co12 N32 O72 -","4","0.5","","Han, Lei; Xu, Lan-Ping; Qin, Lan; Zhao, Wen-Na; Yan, Xiao-Zhi; Yu, Lei","Syntheses, Crystal Structures, and Physical Properties of Two Noninterpenetrated Pillar-Layered Metal‒Organic Frameworks Based onN,N′-Di(4-pyridyl)-1,4,5,8-naphthalenetetracarboxydiimide Pillar","Crystal Growth & Design","2013","13","10","4260","","10.1021/cg400454c","","","0.71073","MoKα","","0.1592","0.0752","","","0.1631","0.1755","","","","","","1.035","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508123","16.407","0.0008","22.5138","0.0015","30.5117","0.0019","90","","90","","90","","11270.5","1.2","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C58 H28 F12 N4 O12 Zn2 -","- C58 H28 F12 N4 O12 Zn2 -","- C232 H112 F48 N16 O48 Zn8 -","4","0.5","","Han, Lei; Xu, Lan-Ping; Qin, Lan; Zhao, Wen-Na; Yan, Xiao-Zhi; Yu, Lei","Syntheses, Crystal Structures, and Physical Properties of Two Noninterpenetrated Pillar-Layered Metal‒Organic Frameworks Based onN,N′-Di(4-pyridyl)-1,4,5,8-naphthalenetetracarboxydiimide Pillar","Crystal Growth & Design","2013","13","10","4260","","10.1021/cg400454c","","","0.71073","MoKα","","0.1465","0.0947","","","0.2635","0.3007","","","","","","0.971","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508124","16.251","0.0006","18.0786","0.0007","18.6411","0.0006","90","","90","","90","","5476.7","0.3","100.05","0.1","100.05","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H44 Ag2 F6 N16 O6 S2 -","- C54 H44 Ag2 F6 N16 O6 S2 -","- C216 H176 Ag8 F24 N64 O24 S8 -","4","0.5","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","0.7107","MoKα","","0.0304","0.0265","","","0.0656","0.0688","","","","","","1.044","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508125","33.001","0.002","11.547","0.0004","19.8795","0.0013","90","","124.041","0.009","90","","6277.2","0.9","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H26 Ag F3 N8 O3 S -","- C30.5 H26 Ag F3 N8 O3 S -","- C244 H208 Ag8 F24 N64 O24 S8 -","8","1","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","1.5418","CuKα","","0.0709","0.0649","","","0.1758","0.1852","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508126","8.31","0.0003","13.3694","0.0005","13.6725","0.0006","76.094","0.004","82.749","0.003","81.674","0.003","1452.33","0.1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H23.5 Ag F3 N8.5 O3 S -","- C28 H23.5 Ag F3 N8.5 O3 S -","- C56 H47 Ag2 F6 N17 O6 S2 -","2","1","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","0.7107","MoKα","","0.0392","0.0304","","","0.0611","0.0664","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508127","14.34228","0.00016","14.34228","0.00016","32.9099","0.0006","90","","90","","90","","6769.6","0.16","100","0.1","100","0.1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C60 H55 Ag2 F6 N18 O6.5 S2 -","- C60 H55 Ag2 F6 N18 O6.5 S2 -","- C240 H220 Ag8 F24 N72 O26 S8 -","4","0.5","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","1.5418","CuKα","","0.056","0.0526","","","0.1431","0.1471","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508128","14.7117","0.0005","15.2436","0.0005","15.738","0.0006","87.494","0.003","78.842","0.003","66.093","0.003","3163.2","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C29.79 H26.18 Ag F3 N9.39 O3 S -","- C29.789 H26.1835 Ag F3 N9.3945 O3 S -","- C119.156 H104.734 Ag4 F12 N37.578 O12 S4 -","4","2","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","0.7107","MoKα","","0.0828","0.0705","","","0.162","0.1671","","","","","","1.212","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508129","5.9421","0.0012","17.846","0.004","19.075","0.004","90","","90","","90","","2022.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H5 Cl3 N2 O -","- C9 H5 Cl3 N2 O -","- C72 H40 Cl24 N16 O8 -","8","1","","Rybarczyk-Pirek, Agnieszka J.; Chęcińska, Lilianna; Małecka, Magdalena; Wojtulewski, Sławomir","Intermolecular Interactions of Trichloromethyl Group in the Crystal State, the Case of 2-Trichloromethyl-3H-4-quinazoline Polymorphs and 1-Methyl-2-trichloroacetylpyrrole‒Hirshfeld Surface Analysis of Chlorine Halogen Bonding","Crystal Growth & Design","2013","13","9","3913","","10.1021/cg400584w","","","0.71073","MoKα","","0.0343","0.0294","","","0.0737","0.0764","","","","","","1.066","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508130","9.961","0.002","10.44","0.002","11.012","0.002","97.45","0.03","103.8","0.03","110.22","0.03","1014.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H5 Cl3 N2 O -","- C9 H5 Cl3 N2 O -","- C36 H20 Cl12 N8 O4 -","4","2","","Rybarczyk-Pirek, Agnieszka J.; Chęcińska, Lilianna; Małecka, Magdalena; Wojtulewski, Sławomir","Intermolecular Interactions of Trichloromethyl Group in the Crystal State, the Case of 2-Trichloromethyl-3H-4-quinazoline Polymorphs and 1-Methyl-2-trichloroacetylpyrrole‒Hirshfeld Surface Analysis of Chlorine Halogen Bonding","Crystal Growth & Design","2013","13","9","3913","","10.1021/cg400584w","","","0.6","synchrotron","","0.0229","0.0228","","","0.0615","0.0616","","","","","","1.085","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508131","6.382","0.0013","11.442","0.002","12.786","0.003","90","","90","","90","","933.7","0.3","100","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 Cl3 N O -","- C7 H6 Cl3 N O -","- C28 H24 Cl12 N4 O4 -","4","1","","Rybarczyk-Pirek, Agnieszka J.; Chęcińska, Lilianna; Małecka, Magdalena; Wojtulewski, Sławomir","Intermolecular Interactions of Trichloromethyl Group in the Crystal State, the Case of 2-Trichloromethyl-3H-4-quinazoline Polymorphs and 1-Methyl-2-trichloroacetylpyrrole‒Hirshfeld Surface Analysis of Chlorine Halogen Bonding","Crystal Growth & Design","2013","13","9","3913","","10.1021/cg400584w","","","0.6","synchrotron","","0.0186","0.0186","","","0.0483","0.0483","","","","","","1.102","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508132","4.608","0.0003","17.0454","0.0008","7.5462","0.0004","90","","90","","90","","592.72","0.06","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au Eu In4 -","- Au Eu In4 -","- Au4 Eu4 In16 -","4","0.25","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal Structure and Magnetic Properties of Indium Flux Grown EuAu2In4and EuAuIn4","Crystal Growth & Design","2013","13","10","4285","","10.1021/cg400619p","","","0.71073","MoKα","","0.0286","0.025","","","0.0733","0.0936","","","","","","0.776","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508133","18.5987","0.0007","4.6616","0.0002","7.4669","0.0003","90","","90","","90","","647.38","0.05","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au2 Eu In4 -","- Au2 Eu In4 -","- Au8 Eu4 In16 -","4","0.5","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal Structure and Magnetic Properties of Indium Flux Grown EuAu2In4and EuAuIn4","Crystal Growth & Design","2013","13","10","4285","","10.1021/cg400619p","","","0.71073","MoKα","","0.0414","0.0367","","","0.0961","0.101","","","","","","1.077","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508134","6.8072","0.0014","9.4831","0.0019","24.016","0.005","90","","94.459","0.004","90","","1545.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3-hydroxybenzoic acid).(acridine) form I","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0623","0.0472","","","0.1364","0.1471","","","","","","1.056","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508135","7.0913","0.0018","9.287","0.002","12.972","0.003","72.937","0.005","75.915","0.005","80.609","0.005","788.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(3-hydroxybenzoic acid).(acridine) Form II","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C40 H30 N2 O6 -","2","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0912","0.0452","","","0.113","0.1356","","","","","","0.908","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508136","10.222","0.003","11.687","0.003","11.903","0.003","110.667","0.005","99.266","0.006","100.742","0.006","1266.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(3-hydroxybenzoic acid).bis(acridine)","","- C33 H24 N2 O3 -","- C33 H24 N2 O3 -","- C66 H48 N4 O6 -","2","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.1179","0.0484","","","0.1272","0.163","","","","","","0.976","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508137","7.042","0.006","7.28","0.006","14.536","0.011","77.364","0.015","80.549","0.017","65.514","0.015","659.5","0.9","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","(2,4-dihydroxybenzoic acid).(nicotinamide) methanol solvate","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.095","0.0642","","","0.1666","0.1944","","","","","","1.046","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508138","5.8411","0.0009","8.1695","0.0014","13.4181","0.0019","96.617","0.005","91.353","0.004","94.753","0.007","633.49","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(2,4-dihydroxybenzoic acid).(nicotinamide) Form I","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C26 H24 N4 O10 -","2","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0732","0.0416","","","0.1092","0.1269","","","","","","1.031","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508139","12.464","0.003","8.2856","0.0016","12.665","0.003","90","","109.579","0.005","90","","1232.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2,4-dihydroxybenzoic acid).(nicotinamide) Form II","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C52 H48 N8 O20 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0985","0.0484","","","0.0886","0.1011","","","","","","0.951","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508140","32.783","0.003","4.0815","0.0003","12.4392","0.0007","90","","90","","90","","1664.4","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(malonic acid).bis(nicotinamide) Form I","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C60 H64 N16 O24 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.046","0.0386","","","0.1055","0.1107","","","","","","1.093","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508141","11.804","0.003","5.336","0.0013","25.121","0.006","90","","94.484","0.005","90","","1577.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(malonic acid).bis(nicotinamide) Form II","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C60 H64 N16 O24 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0776","0.0384","","","0.091","0.1103","","","","","","0.997","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508142","8.838","0.003","31.514","0.008","5.252","0.002","90","","90","","90","","1462.8","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(nicotinamide).(pimelic acid) Form II","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.1857","0.0909","","","0.2345","0.3072","","","","","","1.02","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508143","10.51506","0.00016","13.333","0.0002","20.3036","0.0003","90","","96.6413","0.0014","90","","2827.41","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl2 N4 O8 -","- C28 H30 Cl2 N4 O8 -","- C112 H120 Cl8 N16 O32 -","4","1","","Martin, Flavia A.; Pop, Mihaela M.; Borodi, Gheorghe; Filip, Xenia; Kacso, Irina","Ketoconazole Salt and Co-crystals with Enhanced Aqueous Solubility","Crystal Growth & Design","2013","13","10","4295","","10.1021/cg400638g","","","1.5418","CuKα","","0.0503","0.0435","","","0.1121","0.1171","","","","","","1.039","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508144","10.5094","0.0006","11.7425","0.0006","13.4568","0.0005","96.238","0.004","98.973","0.004","105.33","0.005","1562.26","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cl2 N4 O8 -","- C30 H32 Cl2 N4 O8 -","- C60 H64 Cl4 N8 O16 -","2","1","","Martin, Flavia A.; Pop, Mihaela M.; Borodi, Gheorghe; Filip, Xenia; Kacso, Irina","Ketoconazole Salt and Co-crystals with Enhanced Aqueous Solubility","Crystal Growth & Design","2013","13","10","4295","","10.1021/cg400638g","","","1.5418","CuKα","","0.0775","0.071","","","0.2215","0.2332","","","","","","1.699","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508145","10.5261","0.0008","11.7297","0.0009","13.458","0.0011","95.287","0.006","99.302","0.007","104.429","0.007","1572.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 Cl2 N4 O8 -","- C30 H33 Cl2 N4 O8 -","- C60 H66 Cl4 N8 O16 -","2","1","","Martin, Flavia A.; Pop, Mihaela M.; Borodi, Gheorghe; Filip, Xenia; Kacso, Irina","Ketoconazole Salt and Co-crystals with Enhanced Aqueous Solubility","Crystal Growth & Design","2013","13","10","4295","","10.1021/cg400638g","","","1.5418","CuKα","","0.0931","0.0749","","","0.2136","0.2341","","","","","","1.437","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508146","5.8721","0.0003","8.3797","0.0004","34.4919","0.0014","92.623","0.004","93.859","0.004","103.791","0.004","1641.21","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Cl2 N4 O8 -","- C32 H38 Cl2 N4 O8 -","- C64 H76 Cl4 N8 O16 -","2","1","","Martin, Flavia A.; Pop, Mihaela M.; Borodi, Gheorghe; Filip, Xenia; Kacso, Irina","Ketoconazole Salt and Co-crystals with Enhanced Aqueous Solubility","Crystal Growth & Design","2013","13","10","4295","","10.1021/cg400638g","","","1.5418","CuKα","","0.0766","0.0689","","","0.19","0.2033","","","","","","1.318","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508147","13.5699","0.0014","12.2549","0.0013","38.232","0.004","90","","97.443","0.001","90","","6304.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Cd4 N18 O14 -","- C58 H48 Cd4 N18 O14 -","- C232 H192 Cd16 N72 O56 -","4","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.09","0.0647","","","0.1825","0.1987","","","","","","1.088","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508148","9.685","0.002","15.572","0.004","17.089","0.004","79.553","0.003","74.687","0.003","75.355","0.003","2386.8","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H36 Cd2 N18 O10 -","- C47 H32 Cd2 N18 O10 -","- C94 H64 Cd4 N36 O20 -","2","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.1843","0.0892","","","0.23","0.2785","","","","","","1.041","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508149","19.141","0.003","13.3566","0.0017","15.726","0.002","90","","103.586","0.002","90","","3908","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N9 O2 Zn -","- C19 H15 N9 O2 Zn -","- C152 H120 N72 O16 Zn8 -","8","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.1193","0.068","","","0.2024","0.2379","","","","","","1.047","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508150","11.121","0.004","11.668","0.004","11.743","0.004","68.637","0.004","77.481","0.004","80.178","0.004","1378.3","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 Cu Mo4 N9 O13 -","- C19 H13 Cu Mo4 N9 O13 -","- C38 H26 Cu2 Mo8 N18 O26 -","2","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.106","0.0722","","","0.1871","0.2117","","","","","","1.04","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508151","10.2565","0.0014","13.3329","0.0018","18.309","0.003","105.25","0.002","93.841","0.002","95.042","0.002","2395.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Co Mo4 N18 O18 -","- C38 H36 Co Mo4 N18 O18 -","- C76 H72 Co2 Mo8 N36 O36 -","2","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.071","0.0518","","","0.1003","0.1191","","","","","","1.082","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508152","30.2207","0.0017","18.7391","0.001","17.5365","0.001","90","","102.794","0.001","90","","9684.5","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Ag Mo12 N9 O42 P -","- C19 H19 Ag Mo12 N9 O42 P -","- C152 H152 Ag8 Mo96 N72 O336 P8 -","8","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.0598","0.0466","","","0.0938","0.1048","","","","","","1.069","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508153","9.8937","0.0006","10.9771","0.0008","17.1409","0.0011","90","","90","","90","","1861.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C64 H96 N16 O24 -","8","1","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.0635","0.0414","","","0.0734","0.0805","","","","","","1.008","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508154","5.088","0.0002","11.8516","0.0004","14.0429","0.0005","90","","95.921","0.002","90","","842.28","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoic acid","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C32 H40 N8 O12 -","4","2","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.0414","0.0346","","","0.068","0.0755","","","","","","1.045","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508155","12.2014","0.0002","14.0392","0.0003","11.8806","0.0002","90","","93.982","0.001","90","","2030.21","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C88 H80 N16 O24 -","8","2","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.0619","0.0389","","","0.0894","0.1014","","","","","","1.021","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508156","7.901","0.002","9.8","0.003","12.291","0.003","92.926","0.016","91.192","0.015","105.216","0.015","916.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(2Z)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)propenoic acid","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C32 H40 N8 O12 -","4","2","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.1462","0.1102","","","0.2918","0.3263","","","","","","1.072","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508157","11.0376","0.0003","20.3212","0.0004","11.8282","0.0003","90","","103.939","0.002","90","","2574.91","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 F2 N5 O3 -","- C31 H23 F2 N5 O3 -","- C124 H92 F8 N20 O12 -","4","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.1288","0.0491","","","0.0968","0.1158","","","","","","0.829","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508158","8.9432","0.0003","12.1904","0.0004","18.6492","0.0007","104.625","0.002","100.492","0.005","93.696","0.004","1921.31","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 F2 N5 O6 S -","- C32 H26 F2 N5 O6 S -","- C64 H52 F4 N10 O12 S2 -","2","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.1203","0.0712","","","0.1916","0.2118","","","","","","0.965","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508159","11.2365","0.0011","23.197","0.002","15.3502","0.0015","90","","92.604","0.002","90","","3996.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 F2 N6 O7 S -","- C43 H42 F2 N6 O7 S -","- C172 H168 F8 N24 O28 S4 -","4","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.1487","0.0563","","","0.12","0.1449","","","","","","0.825","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508160","11.9663","0.0007","9.3052","0.0006","26.9046","0.0016","90","","95.223","0.001","90","","2983.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 F2 N5 O6 S -","- C32 H27 F2 N5 O6 S -","- C128 H108 F8 N20 O24 S4 -","4","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.0897","0.0482","","","0.1119","0.1313","","","","","","1.035","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508161","11.0899","0.0005","11.6508","0.0006","13.0881","0.0006","99.603","0.003","92.085","0.001","92.889","0.001","1663.52","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H31 F2 N5 O6 S -","- C38 H31 F2 N5 O6 S -","- C76 H62 F4 N10 O12 S2 -","2","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.062","0.0421","","","0.1012","0.1115","","","","","","1.033","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508162","3.55","0.005","9.093","0.005","24.527","0.005","90","0.005","91.737","0.005","90","0.005","791.4","1.2","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fumarate monohydrate of 5-FC","","","- C6 H8 F N3 O4 -","- C6 H8 F N3 O4 -","- C24 H32 F4 N12 O16 -","4","1","","da Silva, Cecília C. P.; de Oliveira, Rebeka; Tenorio, Juan C.; Honorato, Sara B.; Ayala, Alejandro P.; Ellena, Javier","The Continuum in 5-Fluorocytosine. Toward Salt Formation","Crystal Growth & Design","2013","13","10","4315","","10.1021/cg400662n","","","0.71073","MoKα","","0.0383","0.0348","","","","0.1004","","","","","","1.055","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508163","5.261","0.0002","15.197","0.0006","7.884","0.0003","90","","92.206","0.003","90","","629.87","0.04","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","oxalate of 5-FC","","","- C5 H5 F N3 O3 -","- C5 H5 F N3 O3 -","- C20 H20 F4 N12 O12 -","4","1","","da Silva, Cecília C. P.; de Oliveira, Rebeka; Tenorio, Juan C.; Honorato, Sara B.; Ayala, Alejandro P.; Ellena, Javier","The Continuum in 5-Fluorocytosine. Toward Salt Formation","Crystal Growth & Design","2013","13","10","4315","","10.1021/cg400662n","","","0.71073","MoKα","","0.0648","0.0466","","","","0.136","","","","","","1.046","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508164","9.345","0.0005","11.862","0.0006","18.954","0.0008","90","","113.573","0.003","90","","1925.73","0.17","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Maleate of 5-FC","","","- C8 H8 F N3 O5 -","- C8 H8 F N3 O5 -","- C64 H64 F8 N24 O40 -","8","2","","da Silva, Cecília C. P.; de Oliveira, Rebeka; Tenorio, Juan C.; Honorato, Sara B.; Ayala, Alejandro P.; Ellena, Javier","The Continuum in 5-Fluorocytosine. Toward Salt Formation","Crystal Growth & Design","2013","13","10","4315","","10.1021/cg400662n","","","0.71073","MoKα","","0.1258","0.0545","","","","0.1464","","","","","","1.035","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508165","10.504","0.002","10.1838","0.0018","10.638","0.002","90","","95.408","0.018","90","","1132.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl N2 O2 S -","- C11 H9 Cl N2 O2 S -","- C44 H36 Cl4 N8 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0466","0.0343","","","0.095","0.0982","","","","","","1.046","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508166","8.0179","0.0016","8.569","0.003","9.992","0.003","86.046","0.018","67.054","0.012","77.792","0.015","617.8","0.3","293.1","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N2 O4 S -","- C12 H10 N2 O4 S -","- C24 H20 N4 O8 S2 -","2","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.7107","MoKα","","","0.0478","","","","0.0593","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508167","10.408","0.001","11.773","0.001","12.019","0.002","73.41","0.01","69.53","0.01","71.55","0.01","1283.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N3 O4 S -","- C12 H11 N3 O4 S -","- C48 H44 N12 O16 S4 -","4","2","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0512","0.0396","","","0.102","0.1103","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508168","10.912","0.001","9.586","0.003","24.842","0.003","90","","90","","90","","2598.5","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N4 O3 S -","- C11 H12 N4 O3 S -","- C88 H96 N32 O24 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0654","0.0378","","","0.092","0.1114","","","","","","1.027","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508169","14.455","0.003","11.514","0.002","14.857","0.003","90","","90","","90","","2472.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N3 O3 S -","- C11 H14 N3 O3 S -","- C88 H112 N24 O24 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0748","0.0442","","","0.1358","0.1439","","","","","","1.11","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508170","16.079","0.006","5.4807","0.0019","25.763","0.009","90","","96.116","0.006","90","","2257.4","1.4","293.1","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C80 H88 N24 O24 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.7107","MoKα","","","0.0435","","","","0.0496","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508171","8.0686","0.0015","8.5141","0.0014","10.573","0.002","78.513","0.013","83.589","0.013","71.11","0.012","672.6","0.2","293.1","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Br2 N O2 S -","- C12 H9 Br2 N O2 S -","- C24 H18 Br4 N2 O4 S2 -","2","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.7107","MoKα","","","0.036","","","","0.0464","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508172","15.387","0.003","6.2734","0.0013","27.363","0.006","90","","90","","90","","2641.3","0.9","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H13 Cl N2 O2 S -","- C13 H13 Cl N2 O2 S -","- C104 H104 Cl8 N16 O16 S8 -","8","2","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0482","0.0386","","","0.0987","0.1022","","","","","","1.103","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508173","7.5991","0.0016","13.661","0.003","27.583","0.006","90","","90","","90","","2863.4","1.1","293.1","","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl N2 O3 S -","- C13 H13 Cl N2 O3 S -","- C104 H104 Cl8 N16 O24 S8 -","8","2","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.7107","MoKα","","","0.0546","","","","0.0615","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508174","14.74","0.004","5.845","0.003","16.093","0.005","90","","92.37","0.02","90","","1385.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N3 O4 S -","- C12 H10 Br N3 O4 S -","- C48 H40 Br4 N12 O16 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.091","0.0356","","","0.0894","0.0983","","","","","","0.962","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508175","6.3202","0.0012","9.9001","0.0018","35.109","0.007","90","","90","","90","","2196.8","0.7","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O -","- C23 H31 N O -","- C92 H124 N4 O4 -","4","1","","Koshima, Hideko; Matsuo, Risa; Matsudomi, Masafumi; Uemura, Yutaro; Shiro, Motoo","Light-Driven Bending Crystals of Salicylidenephenylethylamines in Enantiomeric and Racemate Forms","Crystal Growth & Design","2013","13","10","4330","","10.1021/cg400675r","","","1.54187","CuKα","","","0.0813","","","","0.2538","","","","","","1.019","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508176","9.9176","0.0012","6.3244","0.0008","34.355","0.004","90","","94.775","0.008","90","","2147.4","0.5","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 N O -","- C23 H31 N O -","- C92 H124 N4 O4 -","4","1","","Koshima, Hideko; Matsuo, Risa; Matsudomi, Masafumi; Uemura, Yutaro; Shiro, Motoo","Light-Driven Bending Crystals of Salicylidenephenylethylamines in Enantiomeric and Racemate Forms","Crystal Growth & Design","2013","13","10","4330","","10.1021/cg400675r","","","1.54187","CuKα","","","0.0787","","","","0.2711","","","","","","1.062","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508177","10.033","0.0006","10.954","0.0006","12.825","0.0008","68.518","0.006","80.503","0.005","84.62","0.005","1292.74","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 N18 O18 Zn2 -","- C40 H34 N18 O18 Zn2 -","- C40 H34 N18 O18 Zn2 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0624","0.0525","","","0.1417","0.152","","","","","","1.069","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508178","13.286","0.0009","10.024","0.0005","17.437","0.001","90","","98.758","0.005","90","","2295.2","0.2","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H44 N18 O18 Zn2 -","- C42 H40 N18 O18 Zn2 -","- C84 H80 N36 O36 Zn4 -","2","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.1235","0.0647","","","0.1071","0.1274","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508179","13.302","0.0004","10.026","0.0003","17.45","0.0005","90","","98.713","0.003","90","","2300.38","0.12","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H44 Co2 N18 O18 -","- C42 H44 Co2 N18 O18 -","- C84 H88 Co4 N36 O36 -","2","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0567","0.0415","","","0.0869","0.094","","","","","","1.035","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508180","13.395","0.0005","10.177","0.0003","17.662","0.0009","90","","96.925","0.003","90","","2390.14","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H44 Cd2 N18 O18 -","- C42 H44 Cd2 N18 O18 -","- C84 H88 Cd4 N36 O36 -","2","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0433","0.0345","","","0.0821","0.0893","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508181","11.192","0.0006","12.401","0.0008","12.566","0.0007","64.424","0.006","75.586","0.005","80.446","0.005","1520.22","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Cu3 N18 O22 -","- C42 H30 Cu3 N18 O22 -","- C42 H30 Cu3 N18 O22 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0753","0.0565","","","0.1603","0.1754","","","","","","1.103","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508182","9.348","0.0005","12.351","0.0007","12.457","0.0006","100.015","0.005","107.88","0.005","111.846","0.005","1200.99","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 Ag5 N18 O16 -","- C42 H38 Ag5 N18 O16 -","- C42 H38 Ag5 N18 O16 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0341","0.031","","","0.0787","0.0813","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508183","9.746","0.0005","15.285","0.0007","18.656","0.0009","107.339","0.004","99.509","0.004","92.536","0.004","2603.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H83 Ag6 N36 O35 -","- C93 H70 Ag6 N36 O35 -","- C93 H70 Ag6 N36 O35 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.1011","0.059","","","0.1262","0.1493","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508184","10.986","0.0007","12.711","0.0007","15.997","0.0009","94.244","0.005","109.288","0.005","103.527","0.005","2022","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H64 Ag4 N36 O18 -","- C82 H64 Ag4 N36 O18 -","- C82 H64 Ag4 N36 O18 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0919","0.0531","","","0.1064","0.1276","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508185","12.938","0.0008","14.041","0.001","15.342","0.001","106.161","0.006","114.154","0.006","99.768","0.006","2311.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H72 Ag6 N36 O23 -","- C80 H62 Ag6 N36 O23 -","- C80 H62 Ag6 N36 O23 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.116","0.0646","","","0.1377","0.163","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508186","24.969","0.0012","8.36","0.0003","17.306","0.0009","90","","120.024","0.007","90","","3127.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Ag2 N20 O6 -","- C24 H24 Ag2 N20 O6 -","- C96 H96 Ag8 N80 O24 -","4","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71073","MoKα","","0.0471","0.0373","","","0.0939","0.1019","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508187","18.5784","0.0005","11.3468","0.0003","12.367","0.0003","90","","96.731","0.001","90","","2589.06","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 O2 -","- C38 H26 O2 -","- C152 H104 O8 -","4","1","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host‒Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0723","0.0467","","","0.1097","0.1238","","","","","","1.013","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508188","8.3229","0.0002","8.457","0.0002","15.3718","0.0003","95.525","0.001","91.841","0.001","111.525","0.001","999.17","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H50 O8 -","- C50 H50 O8 -","- C50 H50 O8 -","1","0.5","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host‒Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0497","0.0397","","","0.1036","0.1133","","","","","","1.046","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508189","8.2821","0.0002","8.3786","0.0002","13.545","0.0004","86.412","0.001","72.722","0.001","73.155","0.001","858.71","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H38 O4 S2 -","- C42 H38 O4 S2 -","- C42 H38 O4 S2 -","1","0.5","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host‒Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0432","0.0358","","","0.1004","0.1127","","","","","","1.075","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508190","11.8726","0.0009","13.1383","0.0011","12.2294","0.001","90","","90.072","0.004","90","","1907.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 N2 O2 -","- C46 H48 N2 O2 -","- C92 H96 N4 O4 -","2","0.5","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host‒Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0449","0.0369","","","0.092","0.0982","","","","","","1.021","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508191","40.6532","0.0009","12.2045","0.0003","22.8237","0.0005","90","","94.682","0.001","90","","11286.2","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C78 H56 O6 -","- C78 H56 O6 -","- C624 H448 O48 -","8","1","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host‒Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.1126","0.0549","","","0.126","0.1591","","","","","","1.023","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508192","47.2311","0.0013","9.0398","0.0002","14.5545","0.0004","90","","93.418","0.001","90","","6203.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 O4 -","- C42 H34 O4 -","- C336 H272 O32 -","8","1","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host‒Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0594","0.0437","","","0.1151","0.1267","","","","","","1.023","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508193","11.602","0.003","34.227","0.008","11.908","0.003","90","","106.473","0.002","90","","4535","2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","JMO-02","","","- C79 H129 F6 N13 O23 -","- C79 H129 F6 N13 O23 -","- C158 H258 F12 N26 O46 -","2","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.0557","0.0496","","","0.1345","0.1401","","","","","","1.039","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508194","27.931","0.001","27.931","0.001","22.523","0.002","90","","90","","120","","15217","1.6","100","2","100","2","","","","","","","synthesis as described","5","P 61","P 61","169","JMO-04","","","- C74 H106 F3 N12 O32 -","- C74 H106 F3 N12 O32 -","- C444 H636 F18 N72 O192 -","6","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.1351","0.1302","","","0.3355","0.3451","","","","","","1.822","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508195","48.713","0.002","48.713","0.002","10.522","0.001","90","","90","","120","","21623","2","100","2","100","2","","","","","","","synthesis as described","5","P 6","P 6","168","JMO-11","","","- C68 H99 F5 N12 O26.833 -","- C68 H99 F5 N12 O26.8333 -","- C408 H594 F30 N72 O161 -","6","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.1842","0.1771","","","0.4352","0.4479","","","","","","3.543","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508196","48.481","0.015","48.481","0.015","10.298","0.002","90","","90","","120","","20962","10","100","2","100","2","","","","","","","synthesis as described","5","P 61","P 61","169","JMO-17","","","- C72 H101 F5 N12 O17 -","- C72 H101 F5 N12 O17 -","- C432 H606 F30 N72 O102 -","6","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.00614","synchrotron","","0.1417","0.1357","","","0.31","0.3179","","","","","","1.606","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508197","13.472","0.001","17.38","0.005","35.196","0.003","90","","91.631","0.005","90","","8238","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","JMO-09","","","- C132 H244 Cl5 N24 O33 -","- C132 H244 Cl5 N24 O33 -","- C264 H488 Cl10 N48 O66 -","2","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.0742","0.0698","","","0.1998","0.2059","","","","","","1.015","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508198","22.635","0.005","38.582","0.01","28.317","0.003","90","","90","","90","","24729","9","100","2","100","2","","","","","","","synthesis as described","5","C 2 2 21","C 2c 2","20","DM74","","","- C92 H141 F3 N18 O31 -","- C92 H141 F3 N18 O31 -","- C736 H1128 F24 N144 O248 -","8","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","0.9537","synchrotron","","0.1583","0.1498","","","0.3933","0.4063","","","","","","2.187","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508199","21.635","0.002","23.415","0.003","24.754","0.003","93.327","0.002","100.308","0.002","97.322","0.002","12195","2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H179 Cu7 Gd4 Ge4 N28 Na3 O194 W46 -","- C28 H112 Cu7 Gd4 Ge4 N28 Na3 O182 W46 -","- C56 H224 Cu14 Gd8 Ge8 N56 Na6 O364 W92 -","2","1","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Zhang, Jian; Niu, Jingyang","Tetrahedral Polyoxometalate Nanoclusters with Tetrameric Rare-Earth Cores and Germanotungstate Vertexes","Crystal Growth & Design","2013","13","10","4368","","10.1021/cg400746n","","","0.71073","MoKα","","0.1558","0.0792","","","0.1368","0.1493","","","","","","1.008","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508200","21.675","0.002","23.348","0.002","24.687","0.002","93.355","0.002","100.387","0.002","97.351","0.002","12144.9","1.8","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H175 Cu7 Ge4 N28 Na3 O192 W46 Y4 -","- C28 H112 Cu7 Ge4 N28 Na3 O180 W46 Y4 -","- C56 H224 Cu14 Ge8 N56 Na6 O360 W92 Y8 -","2","1","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Zhang, Jian; Niu, Jingyang","Tetrahedral Polyoxometalate Nanoclusters with Tetrameric Rare-Earth Cores and Germanotungstate Vertexes","Crystal Growth & Design","2013","13","10","4368","","10.1021/cg400746n","","","0.71073","MoKα","","0.1602","0.0788","","","0.1306","0.1397","","","","","","1.006","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508201","11.9482","0.0003","11.9482","0.0003","30.657","0.002","90","","90","","90","","4376.6","0.3","293","2","293","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C40 H38 In N2 O12 P -","- C36 In N2 O12 P -","- C144 In4 N8 O48 P4 -","4","0.25","","Chen, Yan-Fei; Ma, Yun-Cui; Chen, Shu-Mei","A Chiral Tetrahedral Framework with Tetrahedral Guests for Catalysis and Photoluminescence","Crystal Growth & Design","2013","13","10","4154","","10.1021/cg400769p","","","0.71073","MoKα","","0.1348","0.1162","","","0.3521","0.3742","","","","","","1.148","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508202","6.992","0.004","11.726","0.006","17.764","0.009","90","","98.537","0.01","90","","1440.3","1.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 Cl N2 O7 -","- C10 H23 Cl N2 O7 -","- C40 H92 Cl4 N8 O28 -","4","1","","Zhang, Yi; Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Xiong, Ren-Gen","Reversible Phase Transition of 1,4-Diazoniabicyclo[2.2.2]octane-1-acetate-4-acetic Acid Chloride Trihydrate","Crystal Growth & Design","2013","13","9","4025","","10.1021/cg400829d","","","0.71073","MoKα","","0.0703","0.061","","","0.1863","0.1939","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508203","13.9","0.007","11.729","0.006","17.806","0.009","90","","103.85","0.01","90","","2819","2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 Cl N2 O7 -","- C10 H23 Cl N2 O7 -","- C80 H184 Cl8 N16 O56 -","8","2","","Zhang, Yi; Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Xiong, Ren-Gen","Reversible Phase Transition of 1,4-Diazoniabicyclo[2.2.2]octane-1-acetate-4-acetic Acid Chloride Trihydrate","Crystal Growth & Design","2013","13","9","4025","","10.1021/cg400829d","","","0.71073","MoKα","","0.0877","0.0806","","","0.238","0.2442","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508204","6.992","0.002","11.728","0.004","17.769","0.006","90","","98.469","0.005","90","","1441.2","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cl D7 N2 O7 -","- C10 H16 Cl D7 N2 O7 -","- C40 H64 Cl4 D28 N8 O28 -","4","1","","Zhang, Yi; Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Xiong, Ren-Gen","Reversible Phase Transition of 1,4-Diazoniabicyclo[2.2.2]octane-1-acetate-4-acetic Acid Chloride Trihydrate","Crystal Growth & Design","2013","13","9","4025","","10.1021/cg400829d","","","0.71073","MoKα","","0.0879","0.0752","","","0.2353","0.2559","","","","","","0.958","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508205","13.907","0.007","11.735","0.006","17.847","0.009","90","","103.967","0.008","90","","2826","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cl D7 N2 O7 -","- C10 H16 Cl D7 N2 O7 -","- C80 H128 Cl8 D56 N16 O56 -","8","2","","Zhang, Yi; Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Xiong, Ren-Gen","Reversible Phase Transition of 1,4-Diazoniabicyclo[2.2.2]octane-1-acetate-4-acetic Acid Chloride Trihydrate","Crystal Growth & Design","2013","13","9","4025","","10.1021/cg400829d","","","0.71073","MoKα","","0.0999","0.0893","","","0.3276","0.3399","","","","","","1.379","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508206","30.305","0.006","8.042","0.0016","21.397","0.004","90","","129.08","0.03","90","","4048","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C216 H160 N16 O8 -","8","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.1367","0.0642","","","0.1317","0.1572","","","","","","1.001","","","","has coordinates","288253","2023-12-12","14:36:19",""
"4508207","9.358","0.0019","13.305","0.003","20.465","0.004","95.37","0.03","95.93","0.03","100.08","0.03","2479","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(5-(pyren-1-yl)-3-phenyl-4,5-dihydropyrazol-1-yl)ethanone chloroform solvate","","- C28 H21 Cl3 N2 O -","- C28 H21 Cl3 N2 O -","- C112 H84 Cl12 N8 O4 -","4","2","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.2022","0.079","","","0.128","0.1595","","","","","","1.002","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508208","28.067","0.006","9.837","0.002","9.145","0.0018","90","","90","","90","","2524.9","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C132 H104 N8 O8 -","4","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.1447","0.0563","","","0.0864","0.1102","","","","","","1.01","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508209","18.567","0.004","21.868","0.004","5.642","0.0011","90","","90","","90","","2290.8","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.1835","0.053","","","0.0562","0.0885","","","","","","0.831","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508210","7.843","0.002","7.484","0.002","19.078","0.003","90","","90","","90","","1119.8","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O6 P2 -","- C10 H10 O6 P2 -","- C40 H40 O24 P8 -","4","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0933","0.0326","","","0.0468","0.0553","","","","","","1.008","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508211","6.9607","0.0006","8.5205","0.0008","9.134","0.001","75.578","0.007","71.587","0.008","74.493","0.008","487.19","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 O8 P2 S2 -","- C14 H22 O8 P2 S2 -","- C14 H22 O8 P2 S2 -","1","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0956","0.052","","","0.1238","0.1468","","","","","","1.001","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508212","9.613","0.002","8.24","0.002","9.227","0.003","90","","111.83","0.01","90","","678.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O6 P2 -","- C12 H14 O6 P2 -","- C24 H28 O12 P4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.1491","0.0773","","","0.1338","0.1746","","","","","","1.001","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508213","13.345","0.003","8.698","0.002","9.256","0.002","90","","94.73","0.01","90","","1070.7","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 O8 P2 S2 -","- C16 H26 O8 P2 S2 -","- C32 H52 O16 P4 S4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0675","0.0359","","","0.0827","0.0992","","","","","","1.01","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508214","7.7904","0.0005","9.7947","0.0006","9.9097","0.0006","119.461","0.006","99.979","0.005","101.479","0.005","611.76","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N4 O6 P2 -","- C24 H30 N4 O6 P2 -","- C24 H30 N4 O6 P2 -","1","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0702","0.0362","","","0.0761","0.0954","","","","","","1.002","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508215","7.6792","0.0005","9.3143","0.0006","9.942","0.0005","105.206","0.005","110.74","0.006","102.028","0.005","604.93","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N4 O6 P2 -","- C24 H30 N4 O6 P2 -","- C24 H30 N4 O6 P2 -","1","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0462","0.0316","","","0.0727","0.0824","","","","","","1.019","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508216","7.1963","0.0005","10.016","0.001","10.432","0.001","99.98","0.01","93.83","0.01","109.51","0.02","691.7","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 N4 O8 P2 -","- C26 H38 N4 O8 P2 -","- C26 H38 N4 O8 P2 -","1","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.144","0.0751","","","0.1114","0.1453","","","","","","1.053","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508217","15.778","0.002","17.252","0.002","8.2767","0.0009","90","","113.81","0.01","90","","2061.2","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 N2 O7 P2 -","- C19 H26 N2 O7 P2 -","- C76 H104 N8 O28 P8 -","4","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.1557","0.0478","","","0.0661","0.0827","","","","","","1.001","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508218","14.3936","0.0006","9.4916","0.0004","8.2341","0.0003","90","","105.454","0.004","90","","1084.26","0.08","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N2 O8 P2 -","- C18 H28 N2 O8 P2 -","- C36 H56 N4 O16 P4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0833","0.0382","","","0.0697","0.0887","","","","","","1.002","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508219","10.266","0.002","6.04","0.001","18.192","0.003","90","","103.62","0.01","90","","1096.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N2 O8 P2 -","- C20 H32 N2 O8 P2 -","- C40 H64 N4 O16 P4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0548","0.0319","","","0.0736","0.0859","","","","","","1.002","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508220","8.652","0.0017","9.225","0.0018","13.594","0.003","72.98","0.01","88.18","0.01","86.98","0.01","1035.9","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 O6 P2 -","- C18 H26 O6 P2 -","- C36 H52 O12 P4 -","2","1","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.187","0.0461","","","0.0757","0.0938","","","","","","1.002","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508221","9.273","0.002","14.141","0.003","8.801","0.002","90","","102.68","0.01","90","","1125.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 O6 P2 -","- C20 H30 O6 P2 -","- C40 H60 O12 P4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.3023","0.0755","","","0.1116","0.1681","","","","","","1.016","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508222","19.3095","0.0004","19.3095","0.0004","11.513","0.0004","90","","90","","120","","3717.59","0.17","100","","100","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ge0.2172 O Si0.2827 -","- Ge0.21723 O Si0.28283 -","- Ge19.9852 O92 Si26.0204 -","92","3.83333","","Liu, Leifeng; Yu, Zheng-Bao; Chen, Hong; Deng, Youqian; Lee, Bao-Lin; Sun, Junliang","Disorder in Extra-Large Pore Zeolite ITQ-33 Revealed by Single Crystal XRD","Crystal Growth & Design","2013","13","10","4168","","10.1021/cg400880a","","","0.6889","synchrotron","","0.0729","0.0705","","","0.2219","0.2252","","","","","","1.233","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508223","14.164","0.005","14.164","0.005","34.886","0.013","90","","90","","90","","6999","4","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C60 H68 Cl4 N24 Ni4 O8 -","- C60 H60 Cl4 N24 Ni4 O8 -","- C240 H240 Cl16 N96 Ni16 O32 -","4","0.25","","Moustapha-Sow, Mouhamadou; Diouf, Ousmane; Gaye, Mohamed; Salam-Sall, Abdou; Castro, Goretti; Pérez-Lourido, Paulo; Valencia, Laura; Caneschi, Andrea; Sorace, Lorenzo","Sheets of Tetranuclear Ni(II) [2 ×2] Square Grids Structure with Infinite Orthogonal Two-Dimensional Water‒Chlorine Chains","Crystal Growth & Design","2013","13","10","4172","","10.1021/cg400885f","","","0.71073","MoKα","","0.2216","0.089","","","0.2379","0.338","","","","","","1.03","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508224","15.772","0.002","15.772","0.002","16.2","0.003","90","","90","","120","","3489.9","0.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C33 H33 Co2 N3 O19 Ti -","- C33 H24 Co2.01 N3 O19 Ti0.99 -","- C66 H48 Co4.02 N6 O38 Ti1.98 -","2","0.166667","","Hong, Keunil; Bak, Woojeong; Moon, Dohyun; Chun, Hyungphil","Bistable and Porous Metal‒Organic Frameworks with Charge-NeutralacsNet Based on Heterometallic M3O(CO2)6Building Blocks","Crystal Growth & Design","2013","13","9","4066","","10.1021/cg4009009","","","0.62001","Synchrotron","","0.098","0.097","","","0.2896","0.2901","","","","","","1.129","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508225","12.753","0.0018","12.753","0.0018","18.546","0.004","90","","90","","120","","2612.2","0.8","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H18 Co2 O19 Ti -","- C24 H6 Co2.01 O19 Ti0.99 -","- C48 H12 Co4.02 O38 Ti1.98 -","2","0.333333","","Hong, Keunil; Bak, Woojeong; Moon, Dohyun; Chun, Hyungphil","Bistable and Porous Metal‒Organic Frameworks with Charge-NeutralacsNet Based on Heterometallic M3O(CO2)6Building Blocks","Crystal Growth & Design","2013","13","9","4066","","10.1021/cg4009009","","","0.70001","Synchrotron","","0.0735","0.0646","","","0.173","0.1814","","","","","","0.993","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508226","12.1207","0.0006","3.80651","0.00013","13.1647","0.0006","90","","115.478","0.006","90","","548.32","0.05","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3,5-trihydroxybenzene","","- C6 H6 O3 -","- C6 H6 O3 -","- C24 H24 O12 -","4","1","","Braun, Doris E.; Bhardwaj, Rajni M.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Griesser, Ulrich J.; Tocher, Derek A.; Price, Sarah L.","Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate.","Crystal growth & design","2013","13","9","4071","4083","10.1021/cg4009015","","","0.71073","MoKα","","0.0445","0.0334","","","0.08","0.0845","","","","","","1.029","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508227","24.6058","0.0006","24.6058","0.0006","3.8524","0.0003","90","","90","","90","","2332.4","0.2","298","2","298","2","","","","","","","","3","P 42/n :2","-P 4bc","86","pyrogallol_tetartohydrate","1,2,3-trihydroxybenzene","","- C24 H26 O13 -","- C24 H24 O13 -","- C96 H96 O52 -","4","0.5","","Braun, Doris E.; Bhardwaj, Rajni M.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Griesser, Ulrich J.; Tocher, Derek A.; Price, Sarah L.","Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate.","Crystal growth & design","2013","13","9","4071","4083","10.1021/cg4009015","powder diffraction","","1.54056","","","","","","","","","","","3.05","","","","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508228","7.7147","0.0007","14.2718","0.0014","12.3156","0.0011","90","","90","","90","","1356","0.2","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F6 N2 O2 Ti -","- C10 H12 Cu F6 N2 O2 Ti -","- C40 H48 Cu4 F24 N8 O8 Ti4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0299","0.0275","","","0.0751","0.0768","","","","","","1.084","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508229","7.702","0.0003","14.275","0.0006","12.2064","0.0005","90","","90","","90","","1342.05","0.09","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F5 N2 O3 V -","- C10 H12 Cu F5 N2 O3 V -","- C40 H48 Cu4 F20 N8 O12 V4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0192","0.0178","","","0.0523","0.0532","","","","","","1.111","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508230","7.8427","0.0003","14.319","0.0005","12.3773","0.0004","90","","90","","90","","1389.97","0.08","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F5 N2 Nb O3 -","- C10 H12 Cu F5.01 N2 Nb O2.99 -","- C40 H48 Cu4 F20.04 N8 Nb4 O11.96 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0237","0.0214","","","0.0571","0.0583","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508231","7.8477","0.0001","14.2825","0.0003","12.2493","0.0002","90","","90","","90","","1372.96","0.04","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F4 Mo N2 O4 -","- C10 H12 Cu F4 Mo N2 O4 -","- C40 H48 Cu4 F16 Mo4 N8 O16 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0182","0.0179","","","0.0507","0.0513","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508232","7.6419","0.0003","14.4551","0.0006","12.5756","0.0005","90","","90","","90","","1389.16","0.1","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 F4 Mo N2 O4 Zn -","- C10 H12 F3.99 Mo N2 O4.01 Zn -","- C40 H48 F15.96 Mo4 N8 O16.04 Zn4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0236","0.0209","","","0.0537","0.0558","","","","","","1.106","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508233","7.623","0.0004","14.4632","0.0007","12.6904","0.0006","90","","90","","90","","1399.15","0.12","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 F4 N2 O4 W Zn -","- C10 H12 F3.99 N2 O4.01 W Zn -","- C40 H48 F15.96 N8 O16.04 W4 Zn4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0346","0.0293","","","0.0747","0.0774","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508234","9.8392","0.0012","21.748","0.003","15.1973","0.0016","90","","111.277","0.006","90","","3030.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 In N3 O9 -","- C29 H30 In N3 O9 -","- C116 H120 In4 N12 O36 -","4","1","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.1098","0.0482","","","0.0899","0.1095","","","","","","0.949","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508235","9.9183","0.0016","22.93","0.004","15.082","0.003","90","","103.957","0.003","90","","3328.8","1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H71 In2 N7 O21 -","- C61 H67 In2 N7 O21 -","- C122 H134 In4 N14 O42 -","2","1","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.136","0.0722","","","0.1734","0.2104","","","","","","1.009","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508236","15.972","0.002","21.984","0.003","20.09","0.003","90","","113.194","0.002","90","","6484","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H76 Cd2 N8 O18 -","- C62 H76 Cd2 N8 O18 -","- C248 H304 Cd8 N32 O72 -","4","1","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.173","0.0643","","","0.1419","0.1891","","","","","","0.994","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508237","10.0732","0.0006","26.6408","0.0015","14.5918","0.0007","90","","110.73","0.003","90","","3662.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cd N3 O9 -","- C32 H39 Cd N3 O9 -","- C128 H156 Cd4 N12 O36 -","4","1","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.0692","0.0466","","","0.1234","0.1347","","","","","","1.06","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508238","15.392","0.003","10.296","0.002","25.544","0.004","90","","114.597","0.01","90","","3680.8","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H96 Cd2 N7 O22 -","- C70 H76 Cd2 N7 O22 -","- C140 H152 Cd4 N14 O44 -","2","0.5","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.1305","0.0605","","","0.1286","0.1569","","","","","","0.983","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508239","10.2101","0.0011","21.649","0.002","15.8443","0.0014","90","","110.692","0.006","90","","3276.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H84 Cd2 N7 O18 -","- C63 H30 Cd2 N7 O18 -","- C126 H60 Cd4 N14 O36 -","2","0.5","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.146","0.0792","","","0.2273","0.288","","","","","","1.034","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508240","43.0209","0.0002","43.0209","0.0002","43.0209","0.0002","90","","90","","90","","79623","0.6","173","2","173","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C426 H710 Cu24 N110 Na12 O266 S24 -","- C200 H96 Cu24 N24 O192 S24 -","- C800 H384 Cu96 N96 O768 S96 -","4","0.0208333","","Wei, Wei; Li, Wanlong; Wang, Xingzhu; He, Jieya","A Designed Three-Dimensional Porous Hydrogen-Bonding Network Based on a Metal‒Organic Polyhedron","Crystal Growth & Design","2013","13","9","3843","","10.1021/cg4009152","","","1.54178","CuKα","","0.087","0.08","","","0.2518","0.2644","","","","","","1.119","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508241","18.609","0.004","28.378","0.008","14.152","0.003","90","","90","","90","","7473","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H32 Cu2 I2 N8 O4 -","- C30 H32 Cu2 I2 N8 O4 -","- C240 H256 Cu16 I16 N64 O32 -","8","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1023","0.0608","","","0.1703","0.1871","","","","","","1.178","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508242","26.158","0.004","10.0274","0.0014","15.632","0.002","90","","100.489","0.004","90","","4031.7","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cu4 I4 N8 O4 -","- C30 H32 Cu4 I4 N8 O4 -","- C120 H128 Cu16 I16 N32 O16 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.0822","0.0732","","","0.2062","0.2102","","","","","","1.593","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508243","29.52","0.003","10.9641","0.0009","29.373","0.003","90","","118.061","0.004","90","","8389.3","1.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H82 Cu2 F24 N16 O17 P4 -","- C60 H64 Cu2 F24 N16 O17 P4 -","- C240 H256 Cu8 F96 N64 O68 P16 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1509","0.1111","","","0.2897","0.303","","","","","","1.98","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508244","10.6903","0.0019","15.235","0.003","25.04","0.004","90","","90","","90","","4078.2","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Cl2 Cu N8 O16 -","- C30 H32 Cl Cu N8 O12 -","- C120 H128 Cl4 Cu4 N32 O48 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.105","0.0802","","","0.2165","0.2259","","","","","","1.438","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508245","12.3335","0.0009","12.3335","0.0009","18.836","0.003","90","","90","","90","","2865.2","0.5","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C38 H64 Cl2 Cu N8 O20 -","- C34 H40 Cu N8 O6 -","- C68 H80 Cu2 N16 O12 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.0623","0.0423","","","0.1121","0.1208","","","","","","0.776","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508246","28.15","0.003","7.2986","0.0007","19.3436","0.0019","90","","120.267","0.002","90","","3432.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cl2 Co N8 O14 -","- C30 H32 Cl2 Co N8 O14 -","- C120 H128 Cl8 Co4 N32 O56 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.0529","0.0393","","","0.1239","0.1335","","","","","","0.987","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508247","28.692","0.0014","7.2297","0.0004","19.8774","0.001","90","","120.72","0.001","90","","3544.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cd Cl2 N8 O14 -","- C30 H32 Cd Cl2 N8 O14 -","- C120 H128 Cd4 Cl8 N32 O56 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.0343","0.0309","","","0.104","0.1082","","","","","","0.934","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508248","20.788","0.004","9.4376","0.0016","24.302","0.006","90","","114.416","0.005","90","","4341.4","1.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H48 Cu F12 N8 O8 P2 -","- C34 H40 Cu N8 O8 -","- C136 H160 Cu4 N32 O32 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1171","0.0619","","","0.1502","0.1736","","","","","","0.864","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508249","21.256","0.003","12.0891","0.0017","17.086","0.002","90","","90","","90","","4390.5","1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C37 H45 Cl2 Cu N9 O16 -","- C37 H37 Cl2 Cu N9 O16 -","- C148 H148 Cl8 Cu4 N36 O64 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1079","0.073","","","0.1764","0.1925","","","","","","1.184","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508250","23.545","0.003","11.866","0.0015","16.909","0.002","90","","110.064","0.004","90","","4437.4","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Cl2 Cu N9 O18 -","- C36 H37 Cl2 Cu N9 O18 -","- C144 H148 Cl8 Cu4 N36 O72 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1303","0.0793","","","0.1879","0.2095","","","","","","1.158","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508251","3.843","0.0003","6.2681","0.0004","15.9607","0.0012","93.547","0.005","96.858","0.006","94.011","0.005","379.82","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C18 H14 F2 O4 -","2","1","","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphism in atrans-Cinnamic Acid Derivative Exhibiting Two Distinct β-type Phases: Structural Properties, [2 + 2] Photodimerization Reactions, and Polymorphic Phase Transition Behavior","Crystal Growth & Design","2013","13","9","4110","","10.1021/cg4009202","","","1.54178","CuKα","","0.0645","0.0556","","","0.1549","0.1646","","","","","","1.058","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508252","6.529","0.0004","3.775","0.0002","31.1015","0.0018","90","","91.25","0.004","90","","766.38","0.08","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphism in atrans-Cinnamic Acid Derivative Exhibiting Two Distinct β-type Phases: Structural Properties, [2 + 2] Photodimerization Reactions, and Polymorphic Phase Transition Behavior","Crystal Growth & Design","2013","13","9","4110","","10.1021/cg4009202","","","1.5418","CuKα","","0.0597","0.0513","","","0.1442","0.1518","","","","","","1.096","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508253","7.6159","0.0005","8.6685","0.0004","15.1547","0.0009","77.057","0.005","77.346","0.005","74.73","0.005","926.91","0.1","150","2","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 F2 O6 -","- C20 H18 F2 O6 -","- C40 H36 F4 O12 -","2","1","","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphism in atrans-Cinnamic Acid Derivative Exhibiting Two Distinct β-type Phases: Structural Properties, [2 + 2] Photodimerization Reactions, and Polymorphic Phase Transition Behavior","Crystal Growth & Design","2013","13","9","4110","","10.1021/cg4009202","","","1.5418","CuKα","","0.0859","0.052","","","0.1244","0.1474","","","","","","1.019","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508254","8.948","0.004","10.202","0.004","18.399","0.008","92.234","0.005","99.486","0.005","105.651","0.005","1589","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Ag N3 O13 S2 Sm -","- C29 H23 Ag N3 O13 S2 Sm -","- C58 H46 Ag2 N6 O26 S4 Sm2 -","2","1","","Chen, Rui-Ling; Chen, Xue-Yun; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Construction of Ag(I)‒Ln(III) Heterometallic Coordination Polymers Based on Binuclear Ag2(DSPT)2(H2DSPT = 4′-(2,4-Disulfophenyl)-2,2′:6′2″-terpyridine) Rings and Ln(III) Dimeric Molecular Building Blocks","Crystal Growth & Design","2013","13","10","4428","","10.1021/cg400926q","","","0.71073","MoKα","","0.0852","0.0634","","","0.1545","0.1736","","","","","","1.014","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508255","8.819","0.0009","10.1316","0.001","18.4266","0.0018","92.395","0.001","99.615","0.001","105.244","0.001","1559.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Ag Er N3 O13 S2 -","- C29 H23 Ag Er N3 O13 S2 -","- C58 H46 Ag2 Er2 N6 O26 S4 -","2","1","","Chen, Rui-Ling; Chen, Xue-Yun; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Construction of Ag(I)‒Ln(III) Heterometallic Coordination Polymers Based on Binuclear Ag2(DSPT)2(H2DSPT = 4′-(2,4-Disulfophenyl)-2,2′:6′2″-terpyridine) Rings and Ln(III) Dimeric Molecular Building Blocks","Crystal Growth & Design","2013","13","10","4428","","10.1021/cg400926q","","","0.71073","MoKα","","0.0618","0.0576","","","0.146","0.1498","","","","","","0.997","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508256","9.1855","0.0013","9.8587","0.0014","18.413","0.003","96.172","0.002","99.566","0.002","108.848","0.002","1532.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Ag Ce N3 O13 S2 -","- C29 H23 Ag Ce N3 O13 S2 -","- C58 H46 Ag2 Ce2 N6 O26 S4 -","2","1","","Chen, Rui-Ling; Chen, Xue-Yun; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Construction of Ag(I)‒Ln(III) Heterometallic Coordination Polymers Based on Binuclear Ag2(DSPT)2(H2DSPT = 4′-(2,4-Disulfophenyl)-2,2′:6′2″-terpyridine) Rings and Ln(III) Dimeric Molecular Building Blocks","Crystal Growth & Design","2013","13","10","4428","","10.1021/cg400926q","","","0.71073","MoKα","","0.0492","0.0435","","","0.1131","0.1185","","","","","","1.018","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508257","11.1247","0.0018","14.592","0.002","16.648","0.003","97.718","0.002","92.917","0.002","91.768","0.002","2672.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H36 Ag3 N8 O17 S4 Tb -","- C54 H36 Ag3 N8 O17 S4 Tb -","- C108 H72 Ag6 N16 O34 S8 Tb2 -","2","1","","Chen, Rui-Ling; Chen, Xue-Yun; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Construction of Ag(I)‒Ln(III) Heterometallic Coordination Polymers Based on Binuclear Ag2(DSPT)2(H2DSPT = 4′-(2,4-Disulfophenyl)-2,2′:6′2″-terpyridine) Rings and Ln(III) Dimeric Molecular Building Blocks","Crystal Growth & Design","2013","13","10","4428","","10.1021/cg400926q","","","0.71073","MoKα","","0.1215","0.0659","","","0.1593","0.2484","","","","","","1.047","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508258","8.054","0.0005","8.1481","0.0005","15.0119","0.0009","77.109","0.002","83.559","0.001","64.061","0.001","863.46","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Caffeine:4-chloro-3nitrobenzoic acid","","","- C15 H14 Cl N5 O6 -","- C15 H14 Cl N5 O6 -","- C30 H28 Cl2 N10 O12 -","2","1","","Ghosh, Soumyajit; Mondal, Arobendo; Kiran, M. S. R. N.; Ramamurty, U.; Reddy, C. Malla","The Role of Weak Interactions in the Phase Transition and Distinct Mechanical Behavior of Two Structurally Similar Caffeine Co-crystal Polymorphs Studied by Nanoindentation","Crystal Growth & Design","2013","13","10","4435","","10.1021/cg400928v","","","0.71073","MoKα","","0.0517","0.0465","","","0.1233","0.1312","","","","","","1.049","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508259","9.8561","0.0005","9.9591","0.0005","10.7056","0.0005","68.377","0.001","86.897","0.001","62.73","0.001","859.91","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Caffeine:4-chloro-3nitrobenzoic acid","","","- C15 H14 Cl N5 O6 -","- C15 H14 Cl N5 O6 -","- C30 H28 Cl2 N10 O12 -","2","1","","Ghosh, Soumyajit; Mondal, Arobendo; Kiran, M. S. R. N.; Ramamurty, U.; Reddy, C. Malla","The Role of Weak Interactions in the Phase Transition and Distinct Mechanical Behavior of Two Structurally Similar Caffeine Co-crystal Polymorphs Studied by Nanoindentation","Crystal Growth & Design","2013","13","10","4435","","10.1021/cg400928v","","","0.71073","MoKα","","0.0604","0.0561","","","0.1518","0.1575","","","","","","1.047","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508260","12.916","0.012","3.97","0.003","11.831","0.01","90","","104.755","0.014","90","","586.6","0.9","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Bi4 Mn S7 -","- Bi4 Mn S7 -","- Bi8 Mn2 S14 -","2","0.25","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Yuan-Bing; Yang, Yi; Zhang, Hao; He, Zhang-Zhen","From One-Dimensional Linear Chain to Two-Dimensional Layered Chalcogenides XBi4S7(X = Mn, Fe): Syntheses, Crystal and Electronic Structures, and Physical Properties","Crystal Growth & Design","2013","13","9","4118","","10.1021/cg4009398","","","0.71073","MoKα","","0.0686","0.037","","","0.0674","0.0826","","","","","","0.805","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508261","12.823","0.019","3.987","0.006","11.878","0.018","90","","104.38","0.02","90","","588.2","1.5","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Bi4 Fe S7 -","- Bi4 Fe S7 -","- Bi8 Fe2 S14 -","2","0.25","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Yuan-Bing; Yang, Yi; Zhang, Hao; He, Zhang-Zhen","From One-Dimensional Linear Chain to Two-Dimensional Layered Chalcogenides XBi4S7(X = Mn, Fe): Syntheses, Crystal and Electronic Structures, and Physical Properties","Crystal Growth & Design","2013","13","9","4118","","10.1021/cg4009398","","","0.71073","MoKα","","0.0528","0.042","","","0.0937","0.0997","","","","","","0.987","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508262","19.8663","0.0004","21.8289","0.0003","11.6384","0.0002","90","","116.935","0.003","90","","4499.6","0.18","100.01","0.13","100.01","0.13","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H32 N6 Ni2 O14 -","- C34 H20 N6 Ni2 O14 -","- C136 H80 N24 Ni8 O56 -","4","0.5","","Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang","A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption","Crystal Growth & Design","2013","13","9","4125","","10.1021/cg400948e","","","1.54184","CuKα","","0.0718","0.0677","","","0.1977","0.2041","","","","","","1.06","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508263","19.8663","0.0004","21.8289","0.0003","11.6384","0.0002","90","","116.935","0.003","90","","4499.6","0.18","100.01","0.13","100.01","0.13","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H20 N6 Ni2 O8 -","- C34 H20 N6 Ni2 O8 -","- C136 H80 N24 Ni8 O32 -","4","0.5","","Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang","A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption","Crystal Growth & Design","2013","13","9","4125","","10.1021/cg400948e","","","1.54184","CuKα","","0.0404","0.0376","","","0.1036","0.1052","","","","","","1.084","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508264","19.513","0.003","22.317","0.003","11.632","0.0015","90","","116.608","0.018","90","","4528.9","1.3","433","0.1","433","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H20 N6 Ni2 O8 -","- C34 H20 N6 Ni2 O8 -","- C136 H80 N24 Ni8 O32 -","4","0.5","","Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang","A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption","Crystal Growth & Design","2013","13","9","4125","","10.1021/cg400948e","","","1.54184","CuKα","","0.0834","0.0709","","","0.2299","0.2465","","","","","","1.064","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508265","19.513","0.003","22.317","0.003","11.632","0.0015","90","","116.608","0.018","90","","4528.9","1.3","433","0.1","433","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H20 N6 Ni2 O8 -","- C34 H20 N6 Ni2 O8 -","- C136 H80 N24 Ni8 O32 -","4","0.5","","Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang","A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption","Crystal Growth & Design","2013","13","9","4125","","10.1021/cg400948e","","","1.54184","CuKα","","0.0643","0.0541","","","0.1636","0.1703","","","","","","1.053","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508266","6.8456","0.0005","14.4051","0.001","20.891","0.0014","90","","103.566","0.003","90","","2002.6","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F4 Fe N4 -","- C24 H14 F4 Fe N4 -","- C96 H56 F16 Fe4 N16 -","4","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0514","0.0474","","","0.132","0.1342","","","","","","1.231","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508267","6.8934","0.0006","23.198","0.002","13.9021","0.0013","90","","94.965","0.002","90","","2214.8","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 F4 Fe N4 -","- C26 H18 F4 Fe N4 -","- C104 H72 F16 Fe4 N16 -","4","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0714","0.0475","","","0.1078","0.1184","","","","","","1.012","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508268","6.908","0.0009","12.2607","0.0015","15.056","0.003","111.163","0.003","98.851","0.003","96.721","0.002","1154.2","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 F4 Fe N4 -","- C26 H18 F4 Fe N4 -","- C52 H36 F8 Fe2 N8 -","2","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0942","0.0554","","","0.1269","0.1451","","","","","","1.021","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508269","6.837","0.002","11.958","0.003","15.743","0.006","67.695","0.005","85.907","0.006","80.367","0.004","1174","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F4 Fe N4 -","- C27 H20 F4 Fe N4 -","- C54 H40 F8 Fe2 N8 -","2","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0937","0.0556","","","0.1288","0.1463","","","","","","1.017","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508270","8.7871","0.0013","12.7926","0.0019","15.286","0.002","90.751","0.003","104.949","0.002","90.639","0.002","1659.8","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H22 F4 Fe N8 -","- C38 H22 F4 Fe N8 -","- C76 H44 F8 Fe2 N16 -","2","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.1322","0.0665","","","0.1188","0.1406","","","","","","0.999","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508271","8.8034","0.001","12.8426","0.0015","15.2449","0.0017","89.342","0.002","76.634","0.002","89.102","0.002","1676.6","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H24 F4 Fe N8 -","- C39 H24 F4 Fe N8 -","- C78 H48 F8 Fe2 N16 -","2","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.1429","0.0574","","","0.1121","0.1438","","","","","","0.948","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508272","6.6911","0.0004","15.5049","0.001","31.364","0.002","90","","93.053","0.001","90","","3249.2","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Fe N8 -","- C40 H30 Fe N8 -","- C160 H120 Fe4 N32 -","4","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0586","0.0503","","","0.1455","0.1539","","","","","","1.177","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508273","7.675","0.002","14.563","0.004","28.821","0.007","86.928","0.003","89.697","0.004","79.129","0.004","3159","1.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H26 Fe N8 -","- C38 H26 Fe N8 -","- C152 H104 Fe4 N32 -","4","2","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.1627","0.0683","","","0.1204","0.1572","","","","","","0.94","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508274","7.5255","0.0006","7.6535","0.0006","13.4176","0.0011","101.755","0.002","93.869","0.002","94.593","0.002","751.38","0.1","273","","273","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H22 Fe N8 -","- C35.998 H21.994 Fe N8 -","- C35.998 H21.994 Fe N8 -","1","0.5","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0476","0.0434","","","0.1133","0.1173","","","","","","1.062","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508275","6.8248","0.0012","13.871","0.003","16.678","0.003","90","","90","","90","","1578.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N4 O10 Zn -","- C12 H14 N4 O10 Zn -","- C48 H56 N16 O40 Zn4 -","4","0.5","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0313","0.0268","","","0.0714","0.0747","","","","","","1.077","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508276","13.037","0.003","11.604","0.003","13.35","0.003","90","","115.572","0.002","90","","1821.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N4 O11 Sm Zn -","- C12 H13 N4 O11 Sm Zn -","- C48 H52 N16 O44 Sm4 Zn4 -","4","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0488","0.0473","","","0.1379","0.139","","","","","","1.076","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508277","24.1908","0.0019","9.1472","0.0007","18.9567","0.0015","90","","114.252","0.001","90","","3824.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Eu N4 O12.5 Zn -","- C12 H16 Eu N4 O12.5 Zn -","- C96 H128 Eu8 N32 O100 Zn8 -","8","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0337","0.03","","","0.0866","0.0893","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508278","24.399","0.005","9.2236","0.0019","19.186","0.004","90","","114.052","0.002","90","","3942.9","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Gd N4 O10 Zn -","- C12 H10 Gd N4 O10 Zn -","- C96 H80 Gd8 N32 O80 Zn8 -","8","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0621","0.0429","","","0.1058","0.1132","","","","","","1.09","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508279","24.368","0.017","9.214","0.006","19.198","0.013","90","","114.289","0.007","90","","3929","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N4 O11.5 Tb Zn -","- C12 H14 N4 O11.5 Tb Zn -","- C96 H112 N32 O92 Tb8 Zn8 -","8","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0267","0.0233","","","0.0592","0.0606","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508280","24.293","0.002","9.1816","0.0007","19.0218","0.0015","90","","114.22","0.001","90","","3869.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 Dy N4 O12 Zn -","- C12 H11 Dy N4 O10 Zn -","- C96 H88 Dy8 N32 O80 Zn8 -","8","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0399","0.029","","","0.0644","0.0684","","","","","","0.976","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508281","10.416","0.002","6.6732","0.0015","21.761","0.005","90","","98.927","0.004","90","","1494.2","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cu2 N4 O16 P2 -","- C24 H30 Cu2 N4 O16 P2 -","- C48 H60 Cu4 N8 O32 P4 -","2","0.5","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.0676","0.0426","","","0.1011","0.1094","","","","","","1.036","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508282","8.319","0.003","10.378","0.004","10.819","0.004","91.526","0.006","90.96","0.007","93.443","0.007","931.9","0.6","301","2","301","2","","","","","","","","6","P -1","-P 1","2","Cu-bpy-HEDP","","","- C12 H20 Cu N2 O10 P2 -","- C12 H20 Cu N2 O10 P2 -","- C24 H40 Cu2 N4 O20 P4 -","2","1","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.1224","0.1206","","","0.2509","0.2516","","","","","","1.485","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508283","7.295","0.0001","9.961","0.0003","14.531","0.0004","100.03","0.0012","90.062","0.0017","94.544","0.0016","1036.38","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H24 Cl Cu N3 O10 P2 -","- C13 H24 Cl Cu N3 O10 P2 -","- C26 H48 Cl2 Cu2 N6 O20 P4 -","2","1","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.0299","0.0265","","","0.098","0.1021","","","","","","0.881","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508284","34.323","0.0005","11.038","0.0002","13.426","0.0002","90","","111.099","0.0008","90","","4745.54","0.13","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 Cl Cu N3 O11 P2 -","- C14 H28 Cl Cu N3 O11 P2 -","- C112 H224 Cl8 Cu8 N24 O88 P16 -","8","1","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.0365","0.0284","","","0.0947","0.1023","","","","","","0.825","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508285","9.558","0.0001","10.064","0.0002","10.945","0.0002","114.887","0.0009","93.444","0.001","90.887","0.0009","952.36","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 Cu2 N4 O20 P4 -","- C24 H44 Cu2 N4 O20 P4 -","- C24 H44 Cu2 N4 O20 P4 -","1","0.5","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.0285","0.0259","","","0.1","0.1025","","","","","","0.906","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508286","46.2653","0.0005","46.2653","0.0005","15.95404","0.00018","90","","90","","120","","29574.1","0.6","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C40 H54 Mn4 N2 O22 -","- C40 H54 Mn4 N2 O22 -","- C720 H972 Mn72 N36 O396 -","18","1","","Dulcevscaia, Galina; Liu, Shi-Xia; Hauser, Jörg; Krämer, Karl W.; Frei, Gabriela; Müller, Andreas; Decurtins, Silvio","A Benzaldehyde Derivative as a Chelating Ligand: Helical Manganese(II) Coordination Polymers Assembling into a Porous Solid","Crystal Growth & Design","2013","13","9","4138","","10.1021/cg400972k","","","0.71073","MoKα","","0.0623","0.0503","","","0.1294","0.1355","","","","","","1.091","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508287","6.7916","0.001","10.8568","0.0015","16.137","0.003","90","","96.622","0.018","90","","1181.9","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 N8 O12 S2 -","- C16 H24 N8 O12 S2 -","- C32 H48 N16 O24 S4 -","2","0.5","","Yan, Dongpeng; Lin, Yanjun; Meng, Qingyun; Zhao, Minjun; Wei, Min","Layered Dinitrostilbene-Based Molecular Solids with Tunable Micro/Nanostructures and the Reversible Fluorescent Response to Explosives","Crystal Growth & Design","2013","13","10","4495","","10.1021/cg400979d","","","0.71073","MoKα","","0.0653","0.0495","","","0.1024","0.1098","","","","","","1.098","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508288","8.1287","0.0011","27.0318","0.0014","10.8606","0.0004","90","","99.894","0.006","90","","2350.9","0.4","102","2","102","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N2 Na2 O16.18 S2 -","- C14 H8 N2 Na2 O16.177 S2 -","- C56 H32 N8 Na8 O64.708 S8 -","4","1","","Yan, Dongpeng; Lin, Yanjun; Meng, Qingyun; Zhao, Minjun; Wei, Min","Layered Dinitrostilbene-Based Molecular Solids with Tunable Micro/Nanostructures and the Reversible Fluorescent Response to Explosives","Crystal Growth & Design","2013","13","10","4495","","10.1021/cg400979d","","","0.71073","MoKα","","0.0546","0.0454","","","0.1189","0.1249","","","","","","1.06","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508289","4.4077","0.0005","5.8495","0.0006","12.9648","0.0013","90.061","0.002","92.99","0.002","97.233","0.002","331.15","0.06","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","E,E-1,4-diiodobuta-1,3-diene","","- C4 H4 I2 -","- C4 H4 I2 -","- C8 H8 I4 -","2","1","","Lashua, Amanda F.; Smith, Tiffany M.; Hu, Hegui; Wei, Lihui; Allis, Damian G.; Sponsler, Michael B.; Hudson, Bruce S.","Commensurate Urea Inclusion Crystals with the Guest (E,E)-1,4-Diiodo-1,3-Butadiene","Crystal Growth & Design","2013","13","9","3852","","10.1021/cg400980b","","","0.71073","MoKα","","0.0336","0.0312","","","0.0838","0.0851","","","","","","1.243","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508290","8.1332","0.0015","10.967","0.002","13.866","0.003","90","","90.556","0.004","90","","1236.7","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DIBD UIC 90K","","","- C5 H14 I N6 O3 -","- C5 H14 I N6 O3 -","- C20 H56 I4 N24 O12 -","4","1","","Lashua, Amanda F.; Smith, Tiffany M.; Hu, Hegui; Wei, Lihui; Allis, Damian G.; Sponsler, Michael B.; Hudson, Bruce S.","Commensurate Urea Inclusion Crystals with the Guest (E,E)-1,4-Diiodo-1,3-Butadiene","Crystal Growth & Design","2013","13","9","3852","","10.1021/cg400980b","","","0.71073","MoKα","","0.0535","0.0527","","","0.1485","0.1488","","","","","","1.177","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508291","8.2184","0.0012","11.0206","0.0015","13.9866","0.0019","90","","90.387","0.003","90","","1266.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DIBD UIC 298K","","","- C10 H28 I2 N12 O6 -","- C10 H28 I2 N12 O6 -","- C20 H56 I4 N24 O12 -","2","0.5","","Lashua, Amanda F.; Smith, Tiffany M.; Hu, Hegui; Wei, Lihui; Allis, Damian G.; Sponsler, Michael B.; Hudson, Bruce S.","Commensurate Urea Inclusion Crystals with the Guest (E,E)-1,4-Diiodo-1,3-Butadiene","Crystal Growth & Design","2013","13","9","3852","","10.1021/cg400980b","","","0.71073","MoKα","","0.0595","0.0524","","","0.1487","0.1533","","","","","","1.094","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508292","7.082","0.0004","9.4394","0.0005","9.9426","0.0006","70.354","0.002","69.519","0.002","83.639","0.002","586.38","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","PC-4-43-6 1-bromo-4-iodotetrafluorobenzene, (2,3,5,6-tetramethylpyrazine)2","","- C22 H24 Br F4 I N4 -","- C22 H24 Br F4 I N4 -","- C22 H24 Br F4 I N4 -","1","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0387","0.0344","","","0.0853","0.0877","","","","","","1.042","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508293","13.6678","0.0007","13.8355","0.0008","11.3735","0.0006","90","","104.064","0.002","90","","2086.3","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PC-4-45-6 1-I-4-(4-Br-F4-phenyl)-F4-benzene, 2,3,5,6-Me4-pyridine","","- C20 H12 Br F8 I N2 -","- C20 H12 Br F8 I N2 -","- C80 H48 Br4 F32 I4 N8 -","4","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0351","0.0291","","","0.0731","0.0759","","","","","","1.021","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508294","14.121","0.006","4.3893","0.0017","14.377","0.006","90","","109.448","0.006","90","","840.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","J3 1-bromo-4-iodotetrafluorobenzene, 2,3,5,6-Me4-pyridine-1-oxide","","- C14 H12 Br F4 I N2 O -","- C14 H12 Br F4 I N2 O -","- C28 H24 Br2 F8 I2 N4 O2 -","2","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0546","0.049","","","0.1073","0.1104","","","","","","1.145","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508295","4.0681","0.0003","13.2198","0.0009","16.416","0.0011","107.014","0.004","91.675","0.003","98.09","0.004","833.49","0.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","J1 1-bromo-4-iodotetrafluorobenzene, 4,4'-bipyridyl-1-oxide","","- C16 H8 Br F4 I N2 O -","- C16 H8 Br F4 I N2 O -","- C32 H16 Br2 F8 I2 N4 O2 -","2","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0814","0.0447","","","0.0845","0.0981","","","","","","1.138","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508296","9.1185","0.0007","10.8775","0.0009","13.8025","0.0011","80.633","0.003","71.005","0.003","83.608","0.004","1274.71","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","PC-4-45-11 1-I-4-(4-Br-F4-phenyl)-F4-benzene, 1-[(4-pyridyl)methyl]-5,6-dimethylbenzimidazole","","- C27 H15 Br F8 I N3 -","- C27 H15 Br F8 I N3 -","- C54 H30 Br2 F16 I2 N6 -","2","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0436","0.0355","","","0.0851","0.0887","","","","","","1.064","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508297","7.785","0.0005","11.3455","0.0007","12.8117","0.0009","114.949","0.003","95.31","0.003","90.597","0.003","1020.06","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","PC-4-45-2 1-iodo-4-(4-bromotetrafluorophenyl)-tetrafluorobenzene, 4-(dimethylamino)pyridine","","- C19 H10 Br F8 I N2 -","- C19 H10 Br F8 I N2 -","- C38 H20 Br2 F16 I2 N4 -","2","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0569","0.0459","","","0.1145","0.1202","","","","","","1.046","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508298","13.3208","0.0008","23.806","0.0014","7.8323","0.0004","90","","123.017","0.003","90","","2082.6","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PC-4-45-3 1-iodo-4-(4-bromotetrafluorophenyl)-tetrafluorobenzene, 4-(1-pyrrolidinyl)-pyridine","","- C21 H12 Br F8 I N2 -","- C21 H12 Br F8 I N2 -","- C84 H48 Br4 F32 I4 N8 -","4","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0558","0.0435","","","0.1073","0.1137","","","","","","1.028","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508299","7.1847","0.0007","25.234","0.003","8.0401","0.0008","90","","107.157","0.005","90","","1392.8","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","PC-3-86a N-(4-I-phenyl)-4-Br-F4-benzamide","","- C13 H5 Br F4 I N O -","- C13 H5 Br F4 I N O -","- C52 H20 Br4 F16 I4 N4 O4 -","4","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0692","0.0525","","","0.1269","0.1387","","","","","","1.024","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508300","4.6568","0.0003","11.0639","0.0006","12.2258","0.0007","98.373","0.002","100.443","0.002","97.995","0.002","603.94","0.06","120","2","120","2","","","","","","","","7","P 1","P 1","1","","PC-4-55-8 (4-Br-F4-phenyl)-4-I-F4-benzamide, 1,2-bis(4-pyridyl)ethylene","","- C25 H11 Br F8 I N3 O -","- C25 H11 Br F8 I N3 O -","- C25 H11 Br F8 I N3 O -","1","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0522","0.0518","","","0.1298","0.1302","","","","","","1.034","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508301","15.2758","0.0008","7.9588","0.0004","20.3245","0.001","90","","99.899","0.002","90","","2434.2","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","PC-4-55-5 (4-Br-F4-phenyl)-4-I-F4-benzamide, 1,2-bis(4-pyridyl)ethane","","- C25 H13 Br F8 I N3 O -","- C25 H13 Br F8 I N3 O -","- C100 H52 Br4 F32 I4 N12 O4 -","4","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0527","0.0371","","","0.0947","0.103","","","","","","1.087","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508302","4.7774","0.0007","7.9111","0.001","25.928","0.004","89.199","0.008","85.294","0.009","75.073","0.008","943.6","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","PC-4-55-6 (4-Br-F4-phenyl)-4-I-F4-benzamide, 4,4-bipyridyl","","- C36 H10 Br2 F16 I2 N4 O2 -","- C36 H10 Br2 F16 I2 N4 O2 -","- C36 H10 Br2 F16 I2 N4 O2 -","1","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.127","0.0842","","","0.1864","0.2117","","","","","","1.094","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508303","6.324","0.003","7.841","0.004","9.197","0.005","90.438","0.007","105.955","0.007","105.059","0.007","421.9","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 N2 O12 Se2 V2 -","- C8 H16 N2 O12 Se2 V2 -","- C8 H16 N2 O12 Se2 V2 -","1","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0374","0.0306","","0.0669","0.062","0.0594","","","","","","0.9827","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508304","9.024","0.005","9.571","0.005","12.313","0.005","68.243","0.005","73.643","0.005","82.752","0.005","947.4","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 N2 O14 Se2 V2 -","- C8 H20 N2 O14 Se2 V2 -","- C16 H40 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0233","0.0224","","0.0668","0.0657","0.0651","","","","","","1.0433","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508305","6.3369","0.0016","8.509","0.002","9.413","0.002","95.363","0.003","108.245","0.003","105.236","0.003","456.46","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 N2 O14 Se2 V2 -","- C6 H18 N2 O14 Se2 V2 -","- C6 H18 N2 O14 Se2 V2 -","1","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0298","0.0271","","0.0791","0.0773","0.0766","","","","","","0.9129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508306","6.378","0.007","8.444","0.007","9.405","0.008","92.26","0.016","107.27","0.03","107.84","0.02","455.7","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 N2 O12 Se2 V2 -","- C8 H18 N2 O12 Se2 V2 -","- C8 H18 N2 O12 Se2 V2 -","1","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0205","0.0189","","0.0476","0.0468","0.0464","","","","","","1.006","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508307","6.322","0.0008","8.5056","0.0011","9.397","0.0012","95.3642","0.0019","108.267","0.0017","105.122","0.0018","454.68","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 N2 O13 Se2 V2 -","- C8 H20 N2 O13 Se2 V2 -","- C8 H20 N2 O13 Se2 V2 -","1","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0547","0.0451","","0.0966","0.0932","0.0902","","","","","","1.1392","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508308","9.29","0.003","9.723","0.003","11.28","0.003","110.687","0.004","90.346","0.004","114.511","0.004","853.2","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.066","0.0432","","0","0","0.0781","","","","","","1.0108","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508309","9.2248","0.0002","11.2499","0.0003","9.3512","0.0002","90","","116.378","0.0015","90","","869.41","0.04","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0387","0.0239","","0.058","0.0543","0.0532","","","","","","0.9636","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508310","9.227","0.005","11.244","0.005","9.362","0.005","90","","116.077","0.005","90","","872.4","0.8","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0573","0.0384","","0.0866","0.0774","0.0733","","","","","","0.8758","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508311","9.225","0.0015","11.2463","0.0018","9.3681","0.0015","90","","116.074","0.002","90","","873","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0473","0.0346","","0.0952","0.0802","0.0737","","","","","","0.91","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508312","36.094","","12.017","","26.253","","90","","116.11","","90","","10225","","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H73 N3 O7 -","- C54 H73 N3 O7 -","- C432 H584 N24 O56 -","8","1","","Oueslati, Issam; Paixão, José A.; Rodrigues, Vítor H.; Suwinska, Kinga; Lesniewska, Barbara; Shkurenko, Aleksander; Eusébio, M. Ermelinda S.; Vicens, Jacques; Maria, Teresa M. R.; Ramalho, Amílcar L.","Generating Flexibility in Inclusion Compounds that Possess Solvent-Accessible Voids: An Alternative Route to Control Pore Size in Three-Dimensional Nanoporous Molecular Crystals","Crystal Growth & Design","2013","13","10","4512","","10.1021/cg400996w","","","0.71073","MoKα","","0.2241","0.1702","","","0.4374","0.4506","","","","","","2.845","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508313","36.004","0.001","12.039","0.0005","26.561","0.001","90","","115.979","0.002","90","","10349.6","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","IOBP54","","","- C55 H75 N3 O7 -","- C55 H75 N3 O7 -","- C440 H600 N24 O56 -","8","1","","Oueslati, Issam; Paixão, José A.; Rodrigues, Vítor H.; Suwinska, Kinga; Lesniewska, Barbara; Shkurenko, Aleksander; Eusébio, M. Ermelinda S.; Vicens, Jacques; Maria, Teresa M. R.; Ramalho, Amílcar L.","Generating Flexibility in Inclusion Compounds that Possess Solvent-Accessible Voids: An Alternative Route to Control Pore Size in Three-Dimensional Nanoporous Molecular Crystals","Crystal Growth & Design","2013","13","10","4512","","10.1021/cg400996w","","","0.71073","MoKα","","0.203","0.118","","","0.273","0.312","","","","","","1.02","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508314","14.1759","0.0014","14.8525","0.0014","10.514","0.0011","90","","97.91","0.02","90","","2192.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Cd(N3)2(Me3en)]n","","","- C10 H28 Cd2 N16 -","- C10 H28 Cd2 N16 -","- C40 H112 Cd8 N64 -","4","1","","Mautner, Franz A.; Louka, Febee R.; Hofer, Johannes; Spell, Mark; Lefèvre, Antoine; Guilbeau, Ashley E.; Massoud, Salah S.","One-Dimensional Cadmium Polymers with Alternative di(EO/EE) and di(EO/EO/EO/EE) Bridged Azide Bonding Modes","Crystal Growth & Design","2013","13","10","4518","","10.1021/cg400998r","","","0.71073","MoKα","","0.0577","0.0451","","","0.0939","0.0992","","","","","","1.08","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508315","9.5324","0.0009","26.1975","0.0018","7.8996","0.0006","90","","111.624","0.017","90","","1833.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Cd(QUIN-R)(N3)2]2","","","- C36 H38 Cd2 N18 -","- C36 H38 Cd2 N18 -","- C72 H76 Cd4 N36 -","2","0.5","","Mautner, Franz A.; Louka, Febee R.; Hofer, Johannes; Spell, Mark; Lefèvre, Antoine; Guilbeau, Ashley E.; Massoud, Salah S.","One-Dimensional Cadmium Polymers with Alternative di(EO/EE) and di(EO/EO/EO/EE) Bridged Azide Bonding Modes","Crystal Growth & Design","2013","13","10","4518","","10.1021/cg400998r","","","0.71073","MoKα","","0.0443","0.0397","","","0.0854","0.0872","","","","","","1.166","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508316","8.5266","0.0008","8.7729","0.0009","11.163","0.0013","76.051","0.017","74.229","0.018","80.68","0.02","775.73","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[Cd(MeDPA)(N3)2]2","","","- C26 H30 Cd2 N18 -","- C26 H30 Cd2 N18 -","- C26 H30 Cd2 N18 -","1","0.5","","Mautner, Franz A.; Louka, Febee R.; Hofer, Johannes; Spell, Mark; Lefèvre, Antoine; Guilbeau, Ashley E.; Massoud, Salah S.","One-Dimensional Cadmium Polymers with Alternative di(EO/EE) and di(EO/EO/EO/EE) Bridged Azide Bonding Modes","Crystal Growth & Design","2013","13","10","4518","","10.1021/cg400998r","","","0.71073","MoKα","","0.019","0.0187","","","0.0457","0.0459","","","","","","1.058","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508317","6.932","0.005","10.526","0.007","11.729","0.008","90","","90","","90","","855.8","1","293","2","293.15","","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C5 H7 Br2 N S -","- C5 H7 Br2 N S -","- C20 H28 Br8 N4 S4 -","4","0.5","","Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo","Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts","Crystal Growth & Design","2013","13","10","4533","","10.1021/cg401028u","","","0.71073","MoKα","","","0.0315","","","","0.0535","","","","","","0.815","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508318","8.458","0.002","32.333","0.007","6.573","0.0016","93.159","0.003","105.191","0.003","90.361","0.003","1731.7","0.7","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H7 I N Ni2 S21 -","- C17 H7 I N Ni2 S21 -","- C34 H14 I2 N2 Ni4 S42 -","2","1","","Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo","Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts","Crystal Growth & Design","2013","13","10","4533","","10.1021/cg401028u","","","0.71073","MoKα","","","0.0336","","","","0.0798","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508319","17.171","0.003","19.413","0.003","6.5771","0.0011","104.896","0.006","96.941","0.007","75.535","0.007","2047.8","0.6","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H14 Cl2 N2 Ni5 S52 -","- C40 H14 Cl2 N2 Ni5 S52 -","- C40 H14 Cl2 N2 Ni5 S52 -","1","0.5","","Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo","Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts","Crystal Growth & Design","2013","13","10","4533","","10.1021/cg401028u","","","0.71073","MoKα","","","0.0591","","","","0.1691","","","","","","1.013","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508320","8.4145","0.0002","32.4067","0.0014","6.561","0.0001","93.383","0.005","106.376","0.004","89.798","0.006","1713.36","0.1","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H7 Br N Ni2 S21 -","- C17 H7 Br N Ni2 S21 -","- C34 H14 Br2 N2 Ni4 S42 -","2","1","","Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo","Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts","Crystal Growth & Design","2013","13","10","4533","","10.1021/cg401028u","","","0.71073","MoKα","","","0.0318","","","","0.0746","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508321","13.849","0.004","24.297","0.006","7.644","0.002","90","","90","","90","","2572.1","1.2","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C50 H70.5 N2 O14.25 -","- C50 H70.52 N2 O14.25 -","- C100 H141.04 N4 O28.5 -","2","0.5","","Hwang, Doomi; Lee, Eunji; Jung, Jong Hwa; Lee, Shim Sung; Park, Ki-Min","Formation of Calix[4]arene-Based Supramolecular Gels Triggered by K+and Rb+: Exemplification of a Structure‒Property Relationship","Crystal Growth & Design","2013","13","10","4177","","10.1021/cg401084w","","","0.71073","MoKα","","0.1441","0.0948","","","0.2304","0.2695","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508322","12.3744","0.0003","17.4418","0.0005","16.2582","0.0005","90","","94.469","0.002","90","","3498.37","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 K2 O15 -","- C36 H36 K2 O15 -","- C144 H144 K8 O60 -","4","1","","Hwang, Doomi; Lee, Eunji; Jung, Jong Hwa; Lee, Shim Sung; Park, Ki-Min","Formation of Calix[4]arene-Based Supramolecular Gels Triggered by K+and Rb+: Exemplification of a Structure‒Property Relationship","Crystal Growth & Design","2013","13","10","4177","","10.1021/cg401084w","","","0.71073","MoKα","","0.0617","0.0491","","","0.1278","0.1351","","","","","","1.029","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508323","30.8147","0.0005","19.4575","0.0003","17.468","0.0003","90","","90","","90","","10473.4","0.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C111 H110 O42 Rb4 -","- C111 H106 O42 Rb4 -","- C444 H424 O168 Rb16 -","4","0.5","","Hwang, Doomi; Lee, Eunji; Jung, Jong Hwa; Lee, Shim Sung; Park, Ki-Min","Formation of Calix[4]arene-Based Supramolecular Gels Triggered by K+and Rb+: Exemplification of a Structure‒Property Relationship","Crystal Growth & Design","2013","13","10","4177","","10.1021/cg401084w","","","0.71073","MoKα","","0.1717","0.0773","","","0.1597","0.1877","","","","","","1.078","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508324","29.4749","0.0007","29.4749","0.0007","6.1687","0.0003","90","","90","","120","","4641.2","0.3","100","","100","2","","","","","","","","4","R -3 :H","-R 3","148","","1,2-phenylenediboronic acid","","- C6 H8 B2 O4 -","- C6 H8 B2 O4 -","- C108 H144 B36 O72 -","18","1","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Nanotubular Hydrogen-Bonded Organic Framework Architecture of 1,2-Phenylenediboronic Acid Hosting Ice Clusters","Crystal Growth & Design","2013","13","10","4181","","10.1021/cg401087j","","x-ray","0.71073","MoKα","","0.1447","0.0506","","","0.0646","0.0722","","","","2.49","2.49","1.78","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508325","11.2581","0.0006","5.1451","0.0003","16.8214","0.001","90","","92.438","0.003","90","","973.48","0.1","100","","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-phenylenediboronic acid","","- C6 H12 B2 O6 -","- C6 H12 B2 O6 -","- C24 H48 B8 O24 -","4","1","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Nanotubular Hydrogen-Bonded Organic Framework Architecture of 1,2-Phenylenediboronic Acid Hosting Ice Clusters","Crystal Growth & Design","2013","13","10","4181","","10.1021/cg401087j","","x-ray","0.71073","MoKα","","0.0931","0.0377","","","0.0328","0.0362","","","","1.56","1.56","1.29","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508326","5.8016","0.0004","11.9737","0.0007","11.5439","0.0006","90","","95.392","0.005","90","","798.37","0.08","100","","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-phenylenediboronic acid","","- C6 H8 B2 O4 -","- C6 H8 B2 O4 -","- C24 H32 B8 O16 -","4","1","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Nanotubular Hydrogen-Bonded Organic Framework Architecture of 1,2-Phenylenediboronic Acid Hosting Ice Clusters","Crystal Growth & Design","2013","13","10","4181","","10.1021/cg401087j","","x-ray","0.71073","MoKα","","0.0539","0.0249","","","0.0284","0.0323","","","","1.39","1.39","1.26","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508327","11.0142","0.0003","13.8001","0.0005","13.9728","0.0004","109.523","0.003","108.236","0.003","93.482","0.003","1868.49","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H54 B2 Cu6 Fe2 N30 O8 -","- C48 H46 B2 Cu6 Fe2 N30 O8.17 -","- C48 H46 B2 Cu6 Fe2 N30 O8.17 -","1","0.5","","Mondal, Abhishake; Dassié Pierre-Igor; Chamoreau, Lise-Marie; Journaux, Yves; Julve, Miguel; Lisnard, Laurent; Lescouëzec, Rodrigue","Combining Cyanometalates and Coordination Clusters: An Alternative Synthetic Route toward Original Molecular Materials","Crystal Growth & Design","2013","13","10","4190","","10.1021/cg401117u","","","0.6683","synchrotron","","0.0649","0.053","","","0.1488","0.1575","","","","","","1.087","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508328","14.3611","0.0005","12.8622","0.0004","15.1403","0.0005","90","","96.862","0.003","90","","2776.61","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 O8 Zn2 -","- C28 H36 O8 Zn2 -","- C112 H144 O32 Zn8 -","4","1","","Aiyappa, Harshitha Barike; Pachfule, Pradip; Banerjee, Rahul; Kurungot, Sreekumar","Porous Carbons from Nonporous MOFs: Influence of Ligand Characteristics on Intrinsic Properties of End Carbon","Crystal Growth & Design","2013","13","10","4195","","10.1021/cg401122u","","","0.71073","MoKα","","0.0608","0.041","","","0.1231","0.1472","","","","","","0.858","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508329","8.946","0.0007","14.928","0.0013","15.233","0.0015","106.191","0.002","98.17","0.001","99.793","0.001","1886.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H72 Cl2 N16 O4 -","- C86 H72 Cl2 N16 O4 -","- C86 H72 Cl2 N16 O4 -","1","0.5","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1961","0.0835","","","0.1933","0.246","","","","","","0.849","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508330","15.5125","0.0017","21.9149","0.0012","16.3766","0.0016","90","","116.89","0.002","90","","4965.3","0.8","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C87 H63 Cl3 Mn2 N17 O -","- C87 H63 Cl3 Mn2 N17 O -","- C174 H126 Cl6 Mn4 N34 O2 -","2","0.5","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1638","0.0783","","","0.203","0.2301","","","","","","1.054","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508331","7.2141","0.001","21.907","0.003","31.377","0.004","99.682","0.002","93.042","0.002","98.493","0.002","4819.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H88 Cu4 N16 O20 -","- C99 H88 Cu4 N16 O20 -","- C198 H176 Cu8 N32 O40 -","2","1","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1136","0.08","","","0.2235","0.2446","","","","","","1.053","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508332","17.2782","0.0012","20.2243","0.0011","38.877","0.003","90","","107.404","0.002","90","","12963.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H68 N16 O8 Zn3 -","- C92 H68 N16 O8 Zn3 -","- C368 H272 N64 O32 Zn12 -","4","1","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1465","0.0725","","","0.1749","0.1952","","","","","","1.018","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508333","9.2341","0.001","11.853","0.0012","21.174","0.002","80.509","0.001","84.605","0.001","87.389","0.002","2274.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H85 Cd2 N17 O13 -","- C97 H85 Cd2 N17 O13 -","- C97 H85 Cd2 N17 O13 -","1","0.5","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1296","0.086","","","0.2051","0.247","","","","","","1.026","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508334","14.1354","0.0005","21.1391","0.0007","14.212","0.0005","90","","90","","90","","4246.7","0.3","100","2","100","2","","","","","","","","2","P b c m","-P 2c 2b","57","D5h-C90.CS2","","","- C91 S2 -","- C91 S2 -","- C364 S8 -","4","0.5","","Bowles, Faye L.; Mercado, Brandon Q.; Ghiassi, Kamran B.; Chen, Susanne Y.; Olmstead, Marilyn M.; Yang, Hua; Liu, Ziyang; Balch, Alan L.","Ordered Structures from Crystalline Carbon Disulfide Solvates of the Nano-Tubular FullerenesD5h(1)-C90andD5h-C70","Crystal Growth & Design","2013","13","10","4591","","10.1021/cg401138g","","","0.7749","synchrotron","","0.0955","0.0873","","","0.2354","0.2387","","","","","","1.157","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508335","10.1998","0.0004","14.254","0.0006","14.3062","0.0006","86.279","0.003","73.297","0.002","89.643","0.003","1987.82","0.14","90","2","90","2","","","","","","","","2","P -1","-P 1","2","C70 3CS2","C70 3CS2","","- C73 S6 -","- C73 S6 -","- C146 S12 -","2","1","","Bowles, Faye L.; Mercado, Brandon Q.; Ghiassi, Kamran B.; Chen, Susanne Y.; Olmstead, Marilyn M.; Yang, Hua; Liu, Ziyang; Balch, Alan L.","Ordered Structures from Crystalline Carbon Disulfide Solvates of the Nano-Tubular FullerenesD5h(1)-C90andD5h-C70","Crystal Growth & Design","2013","13","10","4591","","10.1021/cg401138g","","","1.54178","CuKα","","0.0842","0.0815","","","0.2453","0.2471","","","","","","1.129","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508336","19.2587","0.0011","19.5039","0.0011","19.8293","0.0011","90","","106.076","0.004","90","","7157","0.7","90","2","90","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","2C70, 3CS2 solvate","","","- C143 S6 -","- C143 S6 -","- C572 S24 -","4","1","","Bowles, Faye L.; Mercado, Brandon Q.; Ghiassi, Kamran B.; Chen, Susanne Y.; Olmstead, Marilyn M.; Yang, Hua; Liu, Ziyang; Balch, Alan L.","Ordered Structures from Crystalline Carbon Disulfide Solvates of the Nano-Tubular FullerenesD5h(1)-C90andD5h-C70","Crystal Growth & Design","2013","13","10","4591","","10.1021/cg401138g","","","0.7749","synchrotron","","0.1107","0.1055","","","0.2577","0.2604","","","","","","1.151","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508337","6.249","0.004","12.774","0.006","11.848","0.005","90","","111.29","0.03","90","","881.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C32 H48 N8 O12 -","4","1","","Portell, Anna; Font-Bardia, Mercè; Prohens, Rafel","Self-Assembling of Zwitterionic Squaramides through Electrostatically Compressed Face-to-Face π-Stacking: A New Supramolecular Synthon","Crystal Growth & Design","2013","13","10","4200","","10.1021/cg401161d","","","0.71073","MoKα","","0.0576","0.0526","","","0.1762","0.18","","","","","","1.117","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508338","9.356","0.006","9.541","0.005","11.672","0.006","90","","121.72","0.04","90","","886.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C32 H48 N8 O12 -","4","1","","Portell, Anna; Font-Bardia, Mercè; Prohens, Rafel","Self-Assembling of Zwitterionic Squaramides through Electrostatically Compressed Face-to-Face π-Stacking: A New Supramolecular Synthon","Crystal Growth & Design","2013","13","10","4200","","10.1021/cg401161d","","","0.71073","MoKα","","0.0682","0.061","","","0.1587","0.1665","","","","","","1.122","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508339","7.47","0.003","16.818","0.004","11.912","0.005","90","","121.09","0.03","90","","1281.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O7 -","- C12 H14 N2 O7 -","- C48 H56 N8 O28 -","4","1","","Portell, Anna; Font-Bardia, Mercè; Prohens, Rafel","Self-Assembling of Zwitterionic Squaramides through Electrostatically Compressed Face-to-Face π-Stacking: A New Supramolecular Synthon","Crystal Growth & Design","2013","13","10","4200","","10.1021/cg401161d","","","0.71073","MoKα","","0.0633","0.0603","","","0.1633","0.1674","","","","","","1.115","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508340","6.536","0.006","10.844","0.009","14.095","0.011","90","","103.17","0.05","90","","972.7","1.4","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N2 O4 -","- C8 H14 N2 O4 -","- C32 H56 N8 O16 -","4","1","","Portell, Anna; Font-Bardia, Mercè; Prohens, Rafel","Self-Assembling of Zwitterionic Squaramides through Electrostatically Compressed Face-to-Face π-Stacking: A New Supramolecular Synthon","Crystal Growth & Design","2013","13","10","4200","","10.1021/cg401161d","","","0.71073","MoKα","","0.1067","0.0459","","","0.1135","0.126","","","","","","0.907","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508341","10.335","0.005","27.054","0.005","15.012","0.005","90","0.005","99.885","0.005","90","0.005","4135","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 N2 O4 Sn2 -","- C38 H62 N2 O4 Sn2 -","- C152 H248 N8 O16 Sn8 -","4","1","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Metre, Ramesh K.","Reactions of (E)-5-(Pyridin-4-yl-methyleneamino)isophthalic Acid (LH2) with Triorganotin Oxides and −Chloride. Formation of One-Dimensional- and Two-Dimensional-Coordination Polymers","Crystal Growth & Design","2013","13","10","4607","","10.1021/cg401201w","","","0.71069","MoKα","","0.0745","0.0604","","","0.1576","0.174","","","","","","1.05","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508342","6.915","0.005","12.362","0.005","27.938","0.005","90","0.005","96.11","0.005","90","0.005","2375","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N2 O5 Sn2 -","- C20 H28 N2 O5 Sn2 -","- C80 H112 N8 O20 Sn8 -","4","1","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Metre, Ramesh K.","Reactions of (E)-5-(Pyridin-4-yl-methyleneamino)isophthalic Acid (LH2) with Triorganotin Oxides and −Chloride. Formation of One-Dimensional- and Two-Dimensional-Coordination Polymers","Crystal Growth & Design","2013","13","10","4607","","10.1021/cg401201w","","","0.71069","MoKα","","0.0639","0.0421","","","0.0901","0.1012","","","","","","1.007","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508343","18.736","0.005","11.368","0.005","31.72","0.005","90","0.005","97.254","0.005","90","0.005","6702","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 N3 O4 Sn -","- C38 H39 N3 O4 Sn -","- C304 H312 N24 O32 Sn8 -","8","2","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Metre, Ramesh K.","Reactions of (E)-5-(Pyridin-4-yl-methyleneamino)isophthalic Acid (LH2) with Triorganotin Oxides and −Chloride. Formation of One-Dimensional- and Two-Dimensional-Coordination Polymers","Crystal Growth & Design","2013","13","10","4607","","10.1021/cg401201w","","","0.71069","MoKα","","0.1001","0.0547","","","0.1141","0.1506","","","","","","1.024","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508344","17.2783","0.0014","19.6504","0.0014","16.1383","0.0013","90","","93.623","0.002","90","","5468.4","0.7","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C43.5 H43 N4.5 O11.25 Zn2 -","- C43.5 H43 N4.5 O11.25 Zn2 -","- C174 H172 N18 O45 Zn8 -","4","0.5","","Hu, Zhichao; Pramanik, Sanhita; Tan, Kui; Zheng, Chong; Liu, Wei; Zhang, Xiao; Chabal, Yves J.; Li, Jing","Selective, Sensitive, and Reversible Detection of Vapor-Phase High Explosives via Two-Dimensional Mapping: A New Strategy for MOF-Based Sensors","Crystal Growth & Design","2013","13","10","4204","","10.1021/cg4012185","","","0.71073","MoKα","","0.093","0.0731","","","0.2231","0.2345","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508345","7.9641","0.0002","9.8799","0.0002","14.3577","0.0003","89.3256","0.0007","79.2529","0.0007","69.5388","0.0006","1038.14","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Ag Cl N2 O4.5 -","- C22 H17 Ag Cl N2 O4.5 -","- C44 H34 Ag2 Cl2 N4 O9 -","2","1","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.043","0.0347","","","0.0945","0.1042","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508346","20.58","0.0003","17.9639","0.0003","13.8076","0.0002","90","","90","","90","","5104.63","0.14","220","2","220","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C25 H22 Ag F3 N2 O4 S -","- C25 H12 Ag F3 N2 O4 S -","- C200 H96 Ag8 F24 N16 O32 S8 -","8","1","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.1064","0.076","","","0.2418","0.2626","","","","","","1.083","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508347","7.4996","0.0003","9.687","0.0004","15.6202","0.0005","82.288","0.002","86.823","0.003","69.603","0.002","1053.97","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20.5 H14 Ag B F4 N2 O0.5 -","- C20.5 H14 Ag B F4 N2 O0.5 -","- C41 H28 Ag2 B2 F8 N4 O -","2","1","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.0976","0.0574","","","0.1834","0.2054","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508348","5.2491","0.0004","18.8288","0.0016","17.7483","0.0015","90","","94.342","0.001","90","","1749.1","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Ag N3 O4 -","- C20 H14 Ag N3 O4 -","- C80 H56 Ag4 N12 O16 -","4","0.5","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.0296","0.0286","","","0.0648","0.0653","","","","","","1.175","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508349","9.4363","0.0007","10.8242","0.0009","24.6516","0.0019","87.085","0.001","86.609","0.001","65.394","0.001","2284.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H72 Ag2 B2 F8 N12 -","- C120 H72 Ag2 B2 F8 N12 -","- C120 H72 Ag2 B2 F8 N12 -","1","0.5","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.0358","0.031","","","0.0759","0.0782","","","","","","1.064","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508350","13.7662","0.0002","16.8462","0.0003","8.50641","0.00011","90","","95.9664","0.0012","90","","1962.02","0.05","123","0.1","123","0.1","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C27 H45 F24 K N6 P4 -","- C27 H45 F24 K N6 P4 -","- C54 H90 F48 K2 N12 P8 -","2","0.5","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.0335","0.0333","","","0.0895","0.0896","","","","","","1.043","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508351","37.5461","0.0003","37.5461","0.0003","37.5461","0.0003","90","","90","","90","","52929.1","0.7","123.01","0.1","123.01","0.1","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C108 H204 F90 N24 O12 P15 -","- C108 H216 F89.84 N24 O12 P15.08 -","- C864 H1728 F718.72 N192 O96 P120.64 -","8","","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.1741","0.1595","","","0.4185","0.4428","","","","","","1.751","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508352","17.73792","0.00017","17.73792","0.00017","17.73792","0.00017","90","","90","","90","","5580.95","0.09","123.01","0.1","123.01","0.1","","","","","","","","7","P -4 3 m","P -4 2 3","215","","","","- C120 H216 F120 K4 N24 O6 P20 -","- C120 H216 F120.04 K4.8784 N24 O6 P20 -","- C120 H216 F120.04 K4.8784 N24 O6 P20 -","1","0.0416667","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.057","0.0551","","","0.1535","0.1563","","","","","","1.066","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508353","12.7737","0.0003","14.482","0.0003","23.5105","0.0004","90.8733","0.0016","93.7874","0.0016","90.4275","0.0017","4339.02","0.15","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H130 F36 N12 O14 P6 -","- C60 H130 F36 N12 O14 P6 -","- C120 H260 F72 N24 O28 P12 -","2","1","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.1013","0.0927","","","0.2578","0.267","","","","","","1.017","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508354","6.3864","0.0013","14.638","0.003","16.774","0.003","90","","97.37","0.03","90","","1555.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Cl N2 -","- C20 H14 Cl N2 -","- C80 H56 Cl4 N8 -","4","1","","Yang, Kai; Xiang, Jinbao; Bao, Guochen; Dang, Qun; Bai, Xu","Synthesis of Highly Substituted 4H-Pyrido[1,2-a]pyrimidines via a One-Pot Three-Component Condensation Reaction.","ACS combinatorial science","2013","15","9","519","524","10.1021/co400086u","","","0.71073","MoKα","","0.1006","0.0827","","","0.2172","0.2296","","","","","","1.093","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508355","39.868","0.005","11.8049","0.0014","19.788","0.002","90","","93.947","0.002","90","","9290.9","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H70 Cl5 Co N4 O2 -","- C44 H70 Cl5 Co N4 O2 -","- C352 H560 Cl40 Co8 N32 O16 -","8","1","","Belokon, Yuri N.; Maleev, Victor I.; North, Michael; Larionov, Vladimir A.; Savel’yeva, Tat’yana F.; Nijland, Aike; Nelyubina, Yuliya V.","Chiral Octahedral Complexes of CoIIIAs a Family of Asymmetric Catalysts Operating under Phase Transfer Conditions","ACS Catalysis","2013","","","1951","","10.1021/cs400409d","","","0.71073","MoKα","","0.1107","0.058","","","0.1494","0.1845","","","","","","1.049","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508356","34.074","0.004","10.4676","0.0011","13.8502","0.0015","90","","90","","90","","4940","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Cl1.25 Co1.25 N5 O2.5 -","- C23.998 H31 Cl Co N4 O3.828 -","- C191.984 H248 Cl8 Co8 N32 O30.624 -","8","2","","Belokon, Yuri N.; Maleev, Victor I.; North, Michael; Larionov, Vladimir A.; Savel’yeva, Tat’yana F.; Nijland, Aike; Nelyubina, Yuliya V.","Chiral Octahedral Complexes of CoIIIAs a Family of Asymmetric Catalysts Operating under Phase Transfer Conditions","ACS Catalysis","2013","","","1951","","10.1021/cs400409d","","","0.71073","MoKα","","0.0891","0.0792","","","0.1776","0.1807","","","","","","1.857","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508357","5.8865","0.0008","7.5079","0.001","14.347","0.002","96.106","0.004","94.285","0.004","90.414","0.004","628.64","0.15","113","","113","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C36 H20 S4 -","2","1","","Mamada, Masashi; Katagiri, Hiroshi; Mizukami, Makoto; Honda, Kota; Minamiki, Tsukuru; Teraoka, Ryo; Uemura, Taisuke; Tokito, Shizuo","syn-/anti-Anthradithiophene Derivative Isomer Effects on Semiconducting Properties.","ACS applied materials & interfaces","2013","5","19","9670","9677","10.1021/am4027136","","","0.71075","MoKα","","0.1073","0.0981","","","0.2374","0.2423","","","","","","1.253","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508358","5.9155","0.0016","7.772","0.002","13.991","0.004","86.589","0.01","78.271","0.008","86.424","0.009","627.9","0.3","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H10 S2 -","- C18 H10 S2 -","- C36 H20 S4 -","2","1","","Mamada, Masashi; Katagiri, Hiroshi; Mizukami, Makoto; Honda, Kota; Minamiki, Tsukuru; Teraoka, Ryo; Uemura, Taisuke; Tokito, Shizuo","syn-/anti-Anthradithiophene Derivative Isomer Effects on Semiconducting Properties.","ACS applied materials & interfaces","2013","5","19","9670","9677","10.1021/am4027136","","","0.71075","MoKα","","0.0381","0.034","","","0.0947","0.0966","","","","","","1.089","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508359","4.65","0.004","13.822","0.011","21.585","0.017","90","","90","","90","","1387","2","120","","120","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 S3 -","- C11 H12 N2 O3 S3 -","- C44 H48 N8 O12 S12 -","4","1","","Shestopalov, Anatoliy M.; Larionova, Natalia A.; Fedorov, Alexander E.; Rodinovskaya, Lyudmila A.; Mortikov, Valery Yu.; Zubarev, Andrey A.; Bushmarinov, Ivan S.","Synthesis of Isomeric Isothiazolo[4′,3′:4,5]- and Isothiazolo[4′,5′:4,5]thieno[3,2-b]pyrano[2,3-d]pyridines by Combination of Domino Reactions","ACS Combinatorial Science","2013","15","10","541","","10.1021/co400066y","","","0.71073","MoKα","","0.141","0.059","","","0.0951","0.1193","","","","","","0.968","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508360","23.16","0.005","4.6826","0.0011","13.811","0.003","90","","99.849","0.016","90","","1475.7","0.6","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O3 S3 -","- C11 H12 N2 O3 S3 -","- C44 H48 N8 O12 S12 -","4","1","","Shestopalov, Anatoliy M.; Larionova, Natalia A.; Fedorov, Alexander E.; Rodinovskaya, Lyudmila A.; Mortikov, Valery Yu.; Zubarev, Andrey A.; Bushmarinov, Ivan S.","Synthesis of Isomeric Isothiazolo[4′,3′:4,5]- and Isothiazolo[4′,5′:4,5]thieno[3,2-b]pyrano[2,3-d]pyridines by Combination of Domino Reactions","ACS Combinatorial Science","2013","15","10","541","","10.1021/co400066y","","","1.54178","CuKα","","0.0927","0.0593","","","0.1511","0.171","","","","","","1.017","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508361","8.6381","0.0008","10.9354","0.001","12.3989","0.0012","90","","100.365","0.002","90","","1152.1","0.19","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 N4 O2 -","- C25 H30 N4 O2 -","- C50 H60 N8 O4 -","2","1","","Hsiao, Ya-Shan; Narhe, Bharat D.; Chang, Ying-Sheng; Sun, Chung-Ming","One-Pot, Two-Step Synthesis of Imidazo[1,2-a]benzimidazoles via A Multicomponent [4 + 1] Cycloaddition Reaction","ACS Combinatorial Science","2013","15","10","551","","10.1021/co400075z","","","0.71073","MoKα","","0.111","0.0541","","","0.1087","0.1313","","","","","","1.004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508362","12.129","0.002","11.4374","0.0017","17.545","0.003","90","","95.165","0.007","90","","2424","0.7","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl2 F6 Ir N2 O2 P -","- C18 H28 Cl2 F6 Ir N2 O2 P -","- C72 H112 Cl8 F24 Ir4 N8 O8 P4 -","4","1","","Lehman, Matthew C.; Gary, J. Brannon; Boyle, Paul D.; Sanford, Melanie S.; Ison, Elon A.","Effect of Solvent and Ancillary Ligands on the Catalytic H/D Exchange Reactivity of Cp*IrIII(L) Complexes","ACS Catalysis","2013","3","10","2304","","10.1021/cs400420n","","","0.71073","MoKα","","0.1021","0.0614","","","0.1642","0.1943","","","","","","1.017","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508363","10.982","0.002","13.584","0.003","15.035","0.003","95.693","0.007","108.315","0.008","110.76","0.007","1934.2","0.7","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H50 F6 Ir2 N4 O7 S2 -","- C32 H50 F6 Ir2 N4 O7 S2 -","- C64 H100 F12 Ir4 N8 O14 S4 -","2","1","","Lehman, Matthew C.; Gary, J. Brannon; Boyle, Paul D.; Sanford, Melanie S.; Ison, Elon A.","Effect of Solvent and Ancillary Ligands on the Catalytic H/D Exchange Reactivity of Cp*IrIII(L) Complexes","ACS Catalysis","2013","3","10","2304","","10.1021/cs400420n","","","0.71073","MoKα","","0.0442","0.0276","","","0.0487","0.0518","","","","","","1.039","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508364","20.0576","0.0004","14.3652","0.0003","17.229","0.0004","90","","95.415","0.002","90","","4942.06","0.18","183","2","183","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Tris(acetonitrile)(nitrosyl)[(oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]molybdenum hemikis[di-μ-chloro(tetrachloro)dizincate] toluene solvate","","- C49 H45 Cl3 Mo N4 O2 P2 Zn -","- C49 H45 Cl3 Mo N4 O2 P2 Zn -","- C196 H180 Cl12 Mo4 N16 O8 P8 Zn4 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.1531","0.062","","","0.0893","0.107","","","","","","0.916","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508365","12.4979","0.0002","15.4233","0.0003","19.774","0.0004","88.382","0.002","81.163","0.002","87.527","0.001","3761.96","0.12","183","2","183","2","","","","","","","","8","P -1","-P 1","2","","Tris(acetonitrile)(nitrosyl)[(oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]molybdenum tetrakis[3'5-bis(trifluoromethyl)phenyl]borate hemipentane solvate","","- C153 H110 B2 F48 Mo2 N8 O4 P4 -","- C153 H110 B2 F48 Mo2 N8 O4 P4 -","- C153 H110 B2 F48 Mo2 N8 O4 P4 -","1","0.5","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.0637","0.048","","","0.1423","0.1478","","","","","","1.115","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508366","16.0776","0.0009","17.0716","0.0013","18.0135","0.0014","105.257","0.007","115.011","0.007","98.938","0.005","4116.7","0.6","183","2","183","2","","","","","","","","9","P -1","-P 1","2","","Bis(acetonitrile)(di-μ-chloro)bis(nitrosyl){bis[oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]}dimolybdenum bis{tetrakis[3'5-bis(trifluoromethyl)phenyl]borate} chlorobenzene pentane solvate","","- C151 H103 B2 Cl3 F48 Mo2 N4 O4 P4 -","- C151 H103 B2 Cl3 F48 Mo2 N4 O4 P4 -","- C151 H103 B2 Cl3 F48 Mo2 N4 O4 P4 -","1","0.5","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.1467","0.1156","","","0.2968","0.3276","","","","","","1.179","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508367","11.5883","0.0001","13.8586","0.0001","24.9475","0.0002","90","","101.155","0.001","90","","3930.82","0.06","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chloro(nitrosyl)(dicarbonyl)[(oxydibenzene-2,1-diyl)bis(diphenylphosphane-κ<i>P</i>)]molybdenum toluene solvate","","- C45 H36 Cl Mo N O4 P2 -","- C45 H36 Cl Mo N O4 P2 -","- C180 H144 Cl4 Mo4 N4 O16 P8 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.045","0.0323","","","0.0809","0.0834","","","","","","1.081","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508368","10.2639","0.0001","21.2569","0.0003","18.332","0.0003","90","","105.192","0.002","90","","3859.88","0.1","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro[(2-{[2'-(diphenylphosphanyl-κ<i>P</i>)biphenyl-2-yl]oxy-κ<i>O</i>}phenyl)(diphenyl)phosphane-κ<i>P</i>](nitrosyl)(trimethylphosphane)molybdenum diethyl ether solvate","","- C82 H84 Cl2 Mo2 N2 O5 P6 -","- C82 H84 Cl2 Mo2 N2 O5 P6 -","- C164 H168 Cl4 Mo4 N4 O10 P12 -","2","0.5","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.0696","0.0472","","","0.11","0.116","","","","","","1.052","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508369","19.3956","0.0003","12.6738","0.0002","20.4746","0.0003","90","","114.639","0.002","90","","4574.74","0.14","183","2","183","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chloro[(2-{[2'-(diphenylphosphanyl-κ<i>P</i>)biphenyl-2-yl]oxy-κ<i>O</i>}phenyl)(diphenyl)phosphane-κ<i>P</i>](nitrosyl)(triphenylphosphane)molybdenum","","- C54 H43 Cl Mo N O2 P3 -","- C54 H43 Cl Mo N O2 P3 -","- C216 H172 Cl4 Mo4 N4 O8 P12 -","4","1","","Chakraborty, Subrata; Blacque, Olivier; Fox, Thomas; Berke, Heinz","Highly Efficient Large Bite Angle Diphosphine Substituted Molybdenum Catalyst for Hydrosilylation","ACS Catalysis","2013","3","10","2208","","10.1021/cs4004276","","","0.71073","MoKα","","0.0361","0.027","","","0.0714","0.0733","","","","","","1.08","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508370","8.288","0.007","11.99","0.009","13.424","0.01","100.742","0.015","95.96","0.03","103.708","0.014","1257.9","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","ec001","ec001","","- C23 H39 Ir O3 P2 -","- C23 H39 Ir O3 P2 -","- C46 H78 Ir2 O6 P4 -","2","1","","Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I.","Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes","ACS Catalysis","2013","3","10","2391","","10.1021/cs400551g","","","0.71073","MoKα","","0.0665","0.0422","","","0.0696","0.0772","","","","","","0.978","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508371","16.707","0.002","18.088","0.002","39.933","0.005","90","","96.48","0.01","90","","11991","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C55 H52 B F24 Ir O3 P2 -","- C55 H52 B F24 Ir O3 P2 -","- C440 H416 B8 F192 Ir8 O24 P16 -","8","1","","Lao, David B.; Owens, Alisa C. E.; Heinekey, D. Michael; Goldberg, Karen I.","Partial Deoxygenation of Glycerol Catalyzed by Iridium Pincer Complexes","ACS Catalysis","2013","3","10","2391","","10.1021/cs400551g","","","0.71073","MoKα","","0.0709","0.0537","","","0.1069","0.1138","","","","","","1.115","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508372","12.4548","0.0003","12.8516","0.0003","20.4735","0.0005","90","","93.992","0.001","90","","3269.12","0.14","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 N3 Zn -","- C36 H47 N3 Zn -","- C144 H188 N12 Zn4 -","4","1","","Boone, Courtney; Korobkov, Ilia; Nikonov, Georgii I.","Unexpected Role of Zinc Hydride in Catalytic Hydrosilylation of Ketones and Nitriles","ACS Catalysis","2013","3","10","2336","","10.1021/cs400581w","","","0.71073","MoKα","","0.0516","0.037","","","0.0986","0.1083","","","","","","1.014","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508373","32.0382","0.0006","11.1091","0.0002","16.1622","0.0011","90","","118.402","0.008","90","","5060","0.5","85","2","85","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 N2 O3 P Ru -","- C24 H40 N2 O3 P Ru -","- C192 H320 N16 O24 P8 Ru8 -","8","1","","Huff, Chelsea A.; Sanford, Melanie S.","Catalytic CO2Hydrogenation to Formate by a Ruthenium Pincer Complex","ACS Catalysis","2013","3","10","2412","","10.1021/cs400609u","","","1.54178","CuKα","","0.0286","0.0283","","","0.0757","0.0759","","","","","","1.041","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508374","18.625","0.003","20.786","0.003","32.239","0.005","90","","90","","90","","12481","3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H30 Cr O4 P2 -","- C34 H30 Cr O4 P2 -","- C544 H480 Cr16 O64 P32 -","16","2","","Zhang, Jun; Wang, Xiao; Zhang, Xuejun; Wu, Weijie; Zhang, Gengtao; Xu, Sheng; Shi, Min","Switchable Ethylene Tri-/Tetramerization with High Activity: Subtle Effect Presented by Backbone-Substituent of Carbon-Bridged Diphosphine Ligands","ACS Catalysis","2013","3","10","2311","","10.1021/cs400651h","","","0.71073","MoKα","","0.0698","0.0507","","","0.1261","0.1394","","","","","","1.175","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508375","9.218","0.003","16.424","0.004","24.589","0.008","90","","90","","90","","3722.7","1.9","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H27 Ir O5 S -","- C16 H27 Ir O5 S -","- C128 H216 Ir8 O40 S8 -","8","1","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.0423","0.0235","","","0.0408","0.044","","","","","","1.021","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508376","9.08","0.004","14.954","0.007","15.588","0.007","90","","90","","90","","2116.6","1.7","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 F6 Ir O5 S -","- C16 H21 F6 Ir O5 S -","- C64 H84 F24 Ir4 O20 S4 -","4","1","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.0639","0.0329","","","0.0598","0.0664","","","","","","1.023","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508377","8.2462","0.0013","14.311","0.002","16.825","0.002","90","","103.277","0.007","90","","1932.5","0.5","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Ir N O5 S -","- C19 H24 Ir N O5 S -","- C76 H96 Ir4 N4 O20 S4 -","4","1","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.0214","0.0168","","","0.0322","0.0331","","","","","","1.027","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508378","19.779","0.003","8.4715","0.0015","30.216","0.005","90","","128.931","0.006","90","","3938.5","1.2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 Cl Ir O3 S -","- C19 H24 Cl Ir O3 S -","- C152 H192 Cl8 Ir8 O24 S8 -","8","2","","Frasco, Daniel A.; Lilly, Cassandra P.; Boyle, Paul D.; Ison, Elon A.","Cp*IrIII-Catalyzed Oxidative Coupling of Benzoic Acids with Alkynes","ACS Catalysis","2013","3","10","2421","","10.1021/cs400656q","","","0.71073","MoKα","","0.046","0.03","","","0.0565","0.06","","","","","","1.038","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508379","25.452","0.004","13.8983","0.0017","15.856","0.003","90","","104.624","0.007","90","","5427.2","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cu4 F12 N8 O16 S4 -","- C44 H36 Cu4 F12 N8 O16 S4 -","- C176 H144 Cu16 F48 N32 O64 S16 -","4","1","","Hoover, Jessica M.; Ryland, Bradford L.; Stahl, Shannon S.","Copper/TEMPO-Catalyzed Aerobic Alcohol Oxidation: Mechanistic Assessment of Different Catalyst Systems","ACS Catalysis","2013","3","11","2599","","10.1021/cs400689a","","","1.54178","CuKα","","0.0554","0.0363","","","0.0827","0.0919","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508380","9.231","0.003","10.439","0.004","15.222","0.004","92.356","0.005","94.503","0.006","113.508","0.008","1336.7","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N2 O5 -","- C32 H26 N2 O5 -","- C64 H52 N4 O10 -","2","1","","Hao, Wen-Juan; Wang, Shun-Yi; Ji, Shun-Jun","Iodine-Catalyzed Cascade Formal [3 + 3] Cycloaddition Reaction of Indolyl Alcohol Derivatives with Enaminones: Constructions of Functionalized Spirodihydrocarbolines","ACS Catalysis","2013","3","11","2501","","10.1021/cs400703u","","","0.7107","MoKα","","0.1466","0.0842","","","0.1817","0.2128","","","","","","1.124","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508381","15.715","0.002","22.582","0.003","16.682","0.002","90","","102.4","0.004","90","","5781.9","1.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 N3 O5.5 -","- C31 H23 N3 O5.5 -","- C248 H184 N24 O44 -","8","1","","Hao, Wen-Juan; Wang, Shun-Yi; Ji, Shun-Jun","Iodine-Catalyzed Cascade Formal [3 + 3] Cycloaddition Reaction of Indolyl Alcohol Derivatives with Enaminones: Constructions of Functionalized Spirodihydrocarbolines","ACS Catalysis","2013","3","11","2501","","10.1021/cs400703u","","","0.7107","MoKα","","0.1236","0.097","","","0.2437","0.262","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508382","22.1965","0.0013","5.7331","0.0003","7.9786","0.0005","90","","91.105","0.004","90","","1015.13","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HT-210-94","zuckermann19","","- C26 H27 N2 O2 -","- C26 H27 N2 O2 -","- C52 H54 N4 O4 -","2","0.5","","Olivier, Gloria K.; Cho, Andrew; Sanii, Babak; Connolly, Michael D.; Tran, Helen; Zuckermann, Ronald N.","Antibody-mimetic peptoid nanosheets for molecular recognition.","ACS nano","2013","7","10","9276","9286","10.1021/nn403899y","","","1.54178","CuKα","","0.1246","0.1161","","","0.2713","0.2746","","","","","","1.193","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4508392","13.049","0.003","15.994","0.003","17.871","0.004","109.06","0.03","106.02","0.03","92.22","0.03","3354.1","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H30.5 Cd Cl1.5 N2 O2 S4 -","- C32.5 H30.5 Cd Cl1.5 N2 O2 S4 -","- C130 H122 Cd4 Cl6 N8 O8 S16 -","4","2","","Wu, Yulei; Zhang, Wenjun; Li, Xiaodong; Min, Chao; Jiu, Tonggang; Zhu, Yuejin; Dai, Ning; Fang, Junfeng","Solution-processed hybrid cathode interlayer for inverted organic solar cells.","ACS applied materials & interfaces","2013","5","21","10428","10432","10.1021/am404053e","","","0.71073","MoKα","","0.1067","0.0724","","","0.1956","0.2398","","","","","","1.112","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508393","19.1498","0.0006","17.707","0.0004","29.3088","0.0007","90","","103.252","0.001","90","","9673.5","0.4","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H98 Mn3 N40 Nb2 O12 -","- C76 H74 Mn3 N40 Nb2 O12 -","- C304 H296 Mn12 N160 Nb8 O48 -","4","0.5","","Imoto, Kenta; Nakagawa, Kosuke; Miyahara, Hiroyuki; Ohkoshi, Shin-ichi","Super-Ionic Conductive Magnet Based on a Cyano-Bridged Mn‒Nb Bimetal Assembly","Crystal Growth & Design","2013","13","11","4673","","10.1021/cg400390b","","","0.71075","MoKα","","","0.0446","","","","0.1124","","","","","","1.152","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508394","18.4293","","7.9248","","14.6842","","90","","103.281","","90","","2087.25","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Xaliproden","","","- C23 H23 Cl F3 N -","- C24 Cl F3 N -","- C96 Cl4 F12 N4 -","4","1","","Chandrappa, Ravi Kumar; Ochsenbein, Philippe; Martineau, Charlotte; Bonin, Michel; Althoff, Gerhard; Engelke, Frank; Malandrini, Harold; Castro, Bertrand; El Hajji, Mohamed; Taulelle, Francis","Polymorphism in Xaliproden (SR57746A): An X-ray Diffraction, Calorimetric, and Solid-State NMR Investigation","Crystal Growth & Design","2013","13","11","4678","","10.1021/cg400441r","powder diffraction","x-ray","0.79975","synchrotron","","0.0845","0.0742","","0.0851","0.0845","","","","3.7","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508395","19.9604","0.0009","17.7159","0.0006","14.733","0.0007","90","","120.641","0.006","90","","4482.4","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 N4 O16 Zn3 -","- C50 H34 N4 O16 Zn3 -","- C200 H136 N16 O64 Zn12 -","4","0.5","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0534","0.0346","","","0.062","0.0665","","","","","","0.983","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508396","9.293","0.0006","10.1006","0.0006","10.9952","0.0006","99.79","0.004","90.398","0.004","105.709","0.005","977.52","0.1","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C40 H30 N2 O18 Zn3 -","- C40 H30 N2 O18 Zn3 -","- C40 H30 N2 O18 Zn3 -","1","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0562","0.0504","","","0.1242","0.1303","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508397","35.892","0.002","8.2785","0.0003","19.2066","0.0013","90","","110.656","0.007","90","","5340","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 N4 O24 Zn3 -","- C50 H46 N4 O24 Zn3 -","- C200 H184 N16 O96 Zn12 -","4","0.5","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71069","MoKα","","0.0864","0.0564","","","0.1364","0.1491","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508398","10.568","0.0004","13.7987","0.0005","25.5505","0.0008","94.475","0.003","97.521","0.003","98.646","0.003","3633.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H70 N12 O21 Zn3 -","- C72 H70 N12 O21 Zn3 -","- C144 H140 N24 O42 Zn6 -","2","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0932","0.0541","","","0.1207","0.1329","","","","","","0.974","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508399","12.6677","0.0006","13.7245","0.0008","21.2317","0.0012","87.678","0.005","80.02","0.004","75.326","0.004","3516.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H62 N12 O18 Zn3 -","- C72 H62 N12 O18 Zn3 -","- C144 H124 N24 O36 Zn6 -","2","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0962","0.0529","","","0.1103","0.125","","","","","","0.984","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508400","9.2462","0.0007","9.8313","0.0007","16.3925","0.0009","75.725","0.005","78.233","0.005","66.308","0.007","1313.13","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H44 N8 O14 Zn2 -","- C58 H44 N8 O14 Zn2 -","- C58 H44 N8 O14 Zn2 -","1","0.5","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0635","0.0413","","","0.0693","0.0739","","","","","","1","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508401","9.1551","0.001","10.9184","0.0013","11.0126","0.0012","90","","101.042","0.011","90","","1080.4","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 Cl N O3 -","- C25 H30 Cl N O3 -","- C50 H60 Cl2 N2 O6 -","2","1","","Skořepová, Eliška; Čejka, Jan; Hušák, Michal; Eigner, Václav; Rohlíček, Jan; Šturc, Antonín; Kratochvíl, Bohumil","Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder","Crystal Growth & Design","2013","13","12","5193","","10.1021/cg4007394","","","1.54184","CuKα","","0.0895","0.0539","","0.16","0.1051","0.16","","","","","","0.9983","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508402","10.9483","0.0003","10.9241","0.0003","18.0149","0.0005","90","","100.685","0.003","90","","2117.23","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cl N O3 -","- C25 H30 Cl N O3 -","- C100 H120 Cl4 N4 O12 -","4","1","","Skořepová, Eliška; Čejka, Jan; Hušák, Michal; Eigner, Václav; Rohlíček, Jan; Šturc, Antonín; Kratochvíl, Bohumil","Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder","Crystal Growth & Design","2013","13","12","5193","","10.1021/cg4007394","","","1.5418","CuKα","","0.068","0.0536","","0.1006","0.0933","0.1006","","","","","","0.9999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508403","9.7087","0.0006","14.3561","0.0008","18.8051","0.0011","70.573","0.005","88.567","0.005","88.179","0.005","2470.3","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 Cl N O4 -","- C27 H36 Cl N O4 -","- C108 H144 Cl4 N4 O16 -","4","2","","Skořepová, Eliška; Čejka, Jan; Hušák, Michal; Eigner, Václav; Rohlíček, Jan; Šturc, Antonín; Kratochvíl, Bohumil","Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder","Crystal Growth & Design","2013","13","12","5193","","10.1021/cg4007394","","x-ray","1.5418","CuKα","","0.075","0.0478","","","0.0934","0.1042","","","","1.1","1.1","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508404","15.675","0.002","15.675","0.002","15.675","0.002","90","","90","","90","","3851.4","0.9","163","2","163","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- Cd3 H72 O82 S0.5 V18.5 -","- Cd3 H48 O82 S0.5 V18.5 -","- Cd6 H96 O164 S V37 -","2","0.0208333","","Khan, M. Ishaque; Putrevu, Naga Ravikanth; Ayesh, Samar; Yohannes, Elizabeth H.; Cage, Brant; Doedens, Robert J.","Crystalline Framework Material Containing Arrays of Vanadium Oxide Nanoclusters: A Polyoxovanadate Framework with Room Temperature NOxSensing Properties","Crystal Growth & Design","2013","13","11","4667","","10.1021/cg4007444","","","0.71073","MoKα","","0.0384","0.0378","","","0.113","0.1134","","","","","","1.239","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508405","7.398","0.005","8.098","0.002","16.35","0.002","90","","90","","90","","979.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","anti-1a","","","- C10 H8 Br2 O2 -","- C10 H8 Br2 O2 -","- C40 H32 Br8 O8 -","4","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0738","0.0459","","","0.1082","0.1173","","","","","","1.036","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508406","7.94","0.002","8.507","0.002","10.553","0.003","86.884","0.004","85.697","0.004","79.874","0.004","699.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","anti-1b","","","- C16 H22 O2 -","- C16 H22 O2 -","- C32 H44 O4 -","2","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0722","0.0563","","","0.1335","0.1439","","","","","","1.034","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508407","8.239","0.002","10.647","0.003","11.165","0.003","77.429","0.004","88.536","0.003","81.523","0.004","945.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","anti-1c","","","- C24 H22 O2 -","- C24 H22 O2 -","- C48 H44 O4 -","2","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0771","0.0559","","","0.1481","0.1583","","","","","","1.068","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508408","14.16","0.005","14.16","0.005","10.639","0.005","90","","90","","90","","2133.2","1.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","anti-1d","","","- C26 H26 O2 -","- C26 H26 O2 -","- C104 H104 O8 -","4","0.5","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71069","MoKα","","0.0815","0.0507","","","0.0856","0.092","","","","","","1.006","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508409","14.727","0.003","8.144","0.0006","16.355","0.003","90","","92.46","0.03","90","","1959.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","syn-1a","","","- C10 H8 Br2 O2 -","- C10 H8 Br2 O2 -","- C80 H64 Br16 O16 -","8","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.114","0.0536","","","0.0893","0.0989","","","","","","1.033","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508410","11.427","0.003","15.005","0.006","12.378","0.003","90","","95.86","0.02","90","","2111.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","syn-2a","","","- C10 H8 Br2 O2 -","- C10 H8 Br2 O2 -","- C80 H64 Br16 O16 -","8","2","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.2883","0.0741","","","0.1235","0.1594","","","","","","1.006","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508411","6.5194","0.0013","10.832","0.002","11.734","0.002","62.664","0.003","81.449","0.004","78.996","0.004","720.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","syn-2b","","","- C16 H24 O3 -","- C16 H24.01 O3 -","- C32 H48.02 O6 -","2","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0707","0.0542","","","0.13","0.1386","","","","","","1.095","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508412","16.9056","0.0013","13.3322","0.001","16.9493","0.0012","90","","90.21","0.002","90","","3820.2","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","syn-2c","","","- C24 H22 O2 -","- C24 H22 O2 -","- C192 H176 O16 -","8","2","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0613","0.0454","","","0.0965","0.1004","","","","","","1.018","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508413","27.09","0.003","9.0376","0.0009","31.579","0.003","90","","90","","90","","7731.4","1.4","273","2","273","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C38 H44 O10 -","- C38 H44 O10 -","- C304 H352 O80 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.2235","0.1222","","","0.2899","0.3324","","","","","","1.083","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508414","40.165","0.005","8.7427","0.0009","30.099","0.004","90","","124.743","0.005","90","","8685","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,3,5-Tris(4-carboxyphenyl)mesitylene","1,3,5-Tris(4-carboxyphenyl)mesitylene-{potassium-dibenzo-18-crown-6}-2water","","- C100 H103 K O28 -","- C100 H98 K O28 -","- C400 H392 K4 O112 -","4","0.5","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.1616","0.0774","","","0.1539","0.18","","","","","","1.05","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508415","12.8757","0.0014","14.1279","0.0015","24.656","0.003","90","","101.695","0.002","90","","4392","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3,5-Tris(4-carboxyphenyl)mesitylene","1,3,5-Tris(4-carboxyphenyl)mesitylene-{potassium-18-crown-6}-2methanol","","- C44 H55 K O14 -","- C44 H55 K O14 -","- C176 H220 K4 O56 -","4","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.0754","0.058","","","0.1529","0.1666","","","","","","1.044","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508416","11.7667","0.0014","14.3953","0.0018","15.0075","0.0018","63.93","0.002","78.362","0.002","78.915","0.002","2220.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1,3,5-Tris(4-carboxyphenyl)mesitylene","1,3,5-Tris(4-carboxyphenyl)mesitylene-{potassium-18-crown-6}-dimethylformamide","","- C45 H54 K N O13 -","- C45 H54 K N O13 -","- C90 H108 K2 N2 O26 -","2","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.0769","0.0541","","","0.1272","0.1426","","","","","","1.045","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508417","12.413","0.004","14.033","0.005","17.701","0.006","107.579","0.006","109.44","0.006","96.641","0.007","2690.5","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,3,5-Tris(4-carboxyphenyl)mesitylene","1,3,5-Tris(4-carboxyphenyl)mesitylene-{ammonium-18-crown-6}-2dimethoxyethane-2water","","- C48 H75 N O19 -","- C48 H61 N O18.98 -","- C96 H122 N2 O37.96 -","2","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.1771","0.1317","","","0.3449","0.3711","","","","","","1.041","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508418","25.83","0.004","25.83","0.004","11.945","0.002","90","","90","","90","","7970","2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H19 Gd2 N3 O14 -","- C12 H19 Gd2 N3 O14 -","- C192 H304 Gd32 N48 O224 -","16","1","","Jia, Ji-Min; Liu, Sui-Jun; Cui, Yu; Han, Song-De; Hu, Tong-Liang; Bu, Xian-He","3D GdIIIComplex Containing Gd16Macrocycles Exhibiting Large Magnetocaloric Effect","Crystal Growth & Design","2013","13","11","4631","","10.1021/cg4008735","","","0.71073","MoKα","","0.0874","0.0785","","","0.1793","0.1837","","","","","","1.236","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508419","17.127","0.003","21.794","0.004","13.13","0.003","90","","127.91","0.03","90","","3867","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Mn2 N8 O4 W -","- C10 H7 Mn2 N8 O4 W -","- C80 H56 Mn16 N64 O32 W8 -","8","1","","Qian, Jun; Hu, Jingchun; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Solvent-Induced Assembly of Octacyanometalates-Based Coordination Polymers with Uniqueafm1 Topology and Magnetic Properties","Crystal Growth & Design","2013","13","12","5211","","10.1021/cg400909b","","","0.71073","MoKα","","0.0333","0.0326","","","0.0852","0.0857","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508420","17.0077","0.0012","21.9812","0.0015","13.0699","0.0009","90","","127.521","0.003","90","","3875.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Mn2 Mo N8 O3 -","- C9 H4 Mn2 Mo N8 O3 -","- C72 H32 Mn16 Mo8 N64 O24 -","8","1","","Qian, Jun; Hu, Jingchun; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Solvent-Induced Assembly of Octacyanometalates-Based Coordination Polymers with Uniqueafm1 Topology and Magnetic Properties","Crystal Growth & Design","2013","13","12","5211","","10.1021/cg400909b","","","0.71073","MoKα","","0.0564","0.0472","","","0.1272","0.1312","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508421","12.429","0.003","12.429","0.003","16.976","0.003","90","","90","","90","","2622.5","1","293","2","293","2","","","","","","","","7","P 42/m","-P 4c","84","","","","- C32 H56 Cl Mn2 N16 O12 W -","- C32 H56 Cl Mn2 N16 O12 W -","- C64 H112 Cl2 Mn4 N32 O24 W2 -","2","0.25","","Qian, Jun; Hu, Jingchun; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Solvent-Induced Assembly of Octacyanometalates-Based Coordination Polymers with Uniqueafm1 Topology and Magnetic Properties","Crystal Growth & Design","2013","13","12","5211","","10.1021/cg400909b","","","0.71073","MoKα","","0.0275","0.0235","","","0.0558","0.0577","","","","","","1.05","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508422","11.609","0.0005","10.6201","0.0004","21.7532","0.0007","90","","100.085","0.003","90","","2640.49","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N6 O7.5 Zn -","- C26 H20 N6 O7.5 Zn -","- C104 H80 N24 O30 Zn4 -","4","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0677","0.0433","","","0.09","0.1015","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508423","10.2619","0.0005","10.9485","0.0004","12.138","0.0006","97.356","0.004","111.722","0.004","98.361","0.004","1228.65","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N6 O6 Zn -","- C26 H20 N6 O6 Zn -","- C52 H40 N12 O12 Zn2 -","2","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0373","0.0312","","","0.0768","0.08","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508424","17.6724","0.0006","7.5085","0.0002","21.7973","0.0008","90","","103.479","0.004","90","","2812.69","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H20 Cd2 N6 O11 -","- C28 H18 Cd2 N6 O11 -","- C112 H72 Cd8 N24 O44 -","4","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0392","0.0304","","","0.063","0.0675","","","","","","1.047","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508425","10.126","0.0004","14.116","0.0004","18.18","0.0006","94.156","0.002","93.21","0.003","96.077","0.003","2571.91","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22.5 N6 O7.25 Zn -","- C26 H20 N6 O7.25 Zn -","- C104 H80 N24 O29 Zn4 -","4","2","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71069","MoKα","","0.0553","0.0412","","","0.0977","0.1056","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508426","10.4405","0.0007","20.454","0.0014","13.3926","0.0008","90","","94.425","0.006","90","","2851.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N6 O10 Zn -","- C26 H28 N6 O10 Zn -","- C104 H112 N24 O40 Zn4 -","4","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.082","0.0336","","","0.0385","0.041","","","","","","0.736","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508427","9.9036","0.0004","9.9448","0.0004","13.9265","0.0006","75.321","0.004","76.496","0.004","81.47","0.003","1284.35","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N6 O7 -","- C26 H20 Cd N6 O7 -","- C52 H40 Cd2 N12 O14 -","2","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0438","0.0304","","","0.0541","0.0557","","","","","","0.864","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508428","7.5009","0.0007","9.6296","0.0006","10.3322","0.0009","92.856","0.006","108.841","0.008","111.401","0.007","645.6","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N6 O10 Zn2 -","- C28 H18 N6 O10 Zn2 -","- C28 H18 N6 O10 Zn2 -","1","0.5","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0732","0.0414","","","0.0717","0.0759","","","","","","0.866","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508429","10.8647","0.0004","34.1221","0.0013","15.9502","0.0007","90","","103.229","0.004","90","","5756.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N6 O9.5 Zn -","- C26 H20 N6 O9.5 Zn -","- C208 H160 N48 O76 Zn8 -","8","2","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.11","0.0658","","","0.157","0.1817","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508430","10.7686","0.0004","13.3285","0.0005","12.0109","0.0004","90","","95.967","0.003","90","","1714.58","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 N6 O12 Zn2 -","- C34 H24 N6 O12 Zn2 -","- C68 H48 N12 O24 Zn4 -","2","0.5","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0367","0.0308","","","0.0714","0.0751","","","","","","1.027","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508431","10.8285","0.0002","16.4265","0.0004","25.1152","0.0006","90","","90","","90","","4467.35","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H38 N12 O14 Zn2 -","- C46 H34 N12 O14 Zn2 -","- C184 H136 N48 O56 Zn8 -","4","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0421","0.035","","","0.072","0.0746","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508432","13.1229","0.0004","11.3044","0.0002","15.9681","0.0004","90","","109.751","0.003","90","","2229.45","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 Cd2 N12 O12 -","- C46 H34 Cd2 N12 O12 -","- C92 H68 Cd4 N24 O24 -","2","0.5","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.03","0.0244","","","0.057","0.0607","","","","","","1.055","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508433","3.8035","0.0004","5.8716","0.0005","22.123","0.002","90","","91.26","0.007","90","","493.95","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(4-fluorophenyl)diazene","","- C12 H8 F2 N2 -","- C12 H8 F2 N2 -","- C24 H16 F4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MOKα","","0.093","0.0567","","","0.1427","0.1605","","","","","","1.06","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508434","7.1516","0.0006","5.858","0.0005","12.2714","0.001","90","","108.672","0.005","90","","487.04","0.07","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(3-fluorophenyl)diazene","","- C12 H8 F2 N2 -","- C12 H8 F2 N2 -","- C24 H16 F4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MOKα","","0.0471","0.04","","","0.11","0.1164","","","","","","1.037","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508435","9.779","0.002","3.735","0.0007","13.188","0.003","90","","95.492","0.009","90","","479.47","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(2-fluorophenyl)diazene","","- C12 H8 F2 N2 -","- C12 H8 F2 N2 -","- C24 H16 F4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MOKα","","0.06","0.0386","","","0.0846","0.0943","","","","","","1.048","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508436","9.7663","0.001","4.672","0.0005","11.4452","0.0013","90","","91.138","0.007","90","","522.12","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(4-chlorophenyl)diazene","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C24 H16 Cl4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0291","0.0269","","","0.0655","0.0685","","","","","","1.075","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508437","12.7716","0.0012","3.8032","0.0004","11.6316","0.0011","90","","105.903","0.002","90","","543.36","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(3-chlorophenyl)diazene","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C24 H16 Cl4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MOKα","","0.0299","0.0273","","","0.0689","0.0704","","","","","","1.069","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508438","11.4948","0.001","3.8134","0.0003","13.521","0.0011","90","","113.889","0.002","90","","541.91","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(2-chlorophenyl)diazene","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C24 H16 Cl4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0322","0.0272","","","0.0732","0.0768","","","","","","1.073","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508439","10.0896","0.0019","4.7532","0.001","11.622","0.002","90","","91.951","0.004","90","","557.04","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(4-bromophenyl)diazene","","- C12 H8 Br2 N2 -","- C12 H8 Br2 N2 -","- C24 H16 Br4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0227","0.0214","","","0.0568","0.0575","","","","","","1.093","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508440","10.9225","0.0008","4.4318","0.0003","11.9113","0.0009","90","","98.145","0.003","90","","570.77","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(3-bromophenyl)diazene","","- C12 H8 Br2 N2 -","- C12 H8 Br2 N2 -","- C24 H16 Br4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0282","0.0235","","","0.0567","0.0585","","","","","","1.033","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508441","21.7149","0.001","3.9697","0.0002","13.7591","0.0007","90","","105.101","0.003","90","","1145.1","0.1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-bis(2-bromophenyl)diazene","","- C12 H8 Br2 N2 -","- C12 H8 Br2 N2 -","- C48 H32 Br8 N8 -","4","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0234","0.0218","","","0.0599","0.0613","","","","","","1.061","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508442","10.895","0.002","13.052","0.003","13.536","0.003","90","","95.74","0.03","90","","1915.2","0.7","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O7 Zn -","- C16 H22 N2 O7 Zn -","- C64 H88 N8 O28 Zn4 -","4","1","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.0381","0.0305","","","0.0805","0.0833","","","","","","1.082","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508443","8.522","0.0017","9.091","0.0018","11.361","0.002","91.44","0.03","110.86","0.03","98.38","0.03","810.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O5 Zn -","- C16 H14 N2 O5 Zn -","- C32 H28 N4 O10 Zn2 -","2","1","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.1685","0.0796","","","0.1651","0.186","","","","","","0.808","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508444","11.025","0.002","14.176","0.003","16.191","0.003","90","","95.5","0.03","90","","2518.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O10 Zn2 -","- C22 H28 N2 O10 Zn2 -","- C88 H112 N8 O40 Zn8 -","4","1","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.0824","0.0621","","","0.1836","0.2018","","","","","","1.049","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508445","10.5081","0.0009","16.6714","0.0014","12.296","0.001","90","","90","","90","","2154.1","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H22 N2 O5 Zn -","- C18 H22 N2 O5 Zn -","- C72 H88 N8 O20 Zn4 -","4","0.5","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.081","0.0653","","","0.1855","0.1979","","","","","","1.032","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508446","16.486","0.003","14.244","0.003","16.667","0.003","90","","99.74","0.03","90","","3857.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N4 O12 Zn2 -","- C36 H40 N4 O12 Zn2 -","- C144 H160 N16 O48 Zn8 -","4","1","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.1585","0.0586","","","0.1314","0.1662","","","","","","0.993","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508447","17.764","0.003","17.764","0.003","15.355","0.003","90","","90","","90","","4845.4","1.5","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C18 H16 Ho2 O12 -","- C18 H16 Ho2 O12 -","- C144 H128 Ho16 O96 -","8","1","","Gomez, Germ E.; Bernini, Mar C.; Brusau, Elena V.; Narda, Griselda E.; Massad, Walter A.; Labrador, Ana","Two Sets of Metal Organic Frameworks along the Lanthanide Series Constructed by 2,3-Dimethylsuccinate: Structures, Topologies, and Strong Emission without Ligand Sensitization","Crystal Growth & Design","2013","13","12","5249","","10.1021/cg401006d","","","1.54184","CuKα","","0.0681","0.0587","","","0.1316","0.1347","","","","","","1.131","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508448","8.3626","0.0012","12.394","0.0018","12.8469","0.0018","61.598","0.002","86.515","0.002","89.95","0.002","1168.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 O14 Pr2 -","- C18 H24 O14 Pr2 -","- C36 H48 O28 Pr4 -","2","1","","Gomez, Germ E.; Bernini, Mar C.; Brusau, Elena V.; Narda, Griselda E.; Massad, Walter A.; Labrador, Ana","Two Sets of Metal Organic Frameworks along the Lanthanide Series Constructed by 2,3-Dimethylsuccinate: Structures, Topologies, and Strong Emission without Ligand Sensitization","Crystal Growth & Design","2013","13","12","5249","","10.1021/cg401006d","","","0.71073","MoKα","","0.083","0.0632","","","0.1518","0.1645","","","","","","1.177","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508449","8.222","0.0016","12.342","0.003","12.768","0.003","117.5","0.03","93.64","0.03","90.02","0.03","1146.3","0.5","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 O14 Sm2 -","- C18 H26 O14 Sm2 -","- C36 H52 O28 Sm4 -","2","1","","Gomez, Germ E.; Bernini, Mar C.; Brusau, Elena V.; Narda, Griselda E.; Massad, Walter A.; Labrador, Ana","Two Sets of Metal Organic Frameworks along the Lanthanide Series Constructed by 2,3-Dimethylsuccinate: Structures, Topologies, and Strong Emission without Ligand Sensitization","Crystal Growth & Design","2013","13","12","5249","","10.1021/cg401006d","","","0.7378","synchrotron","","0.0902","0.0853","","","0.2485","0.2553","","","","","","1.063","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508450","22.602","0.003","12.394","0.0018","8.3626","0.0012","90","","93.935","0.003","90","","2337.1","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 O7 Pr -","- C10 O7 Pr -","- C80 O56 Pr8 -","8","1","","Gomez, Germ E.; Bernini, Mar C.; Brusau, Elena V.; Narda, Griselda E.; Massad, Walter A.; Labrador, Ana","Two Sets of Metal Organic Frameworks along the Lanthanide Series Constructed by 2,3-Dimethylsuccinate: Structures, Topologies, and Strong Emission without Ligand Sensitization","Crystal Growth & Design","2013","13","12","5249","","10.1021/cg401006d","","","0.71073","MoKα","","0.2536","0.201","","","0.6402","0.6869","","","","","","27.554","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508451","7.2123","0.0005","24.0547","0.0018","11.7186","0.0008","90","","90.042","0.002","90","","2033.1","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 Co3 N18 O7 W2 -","- C30 H25.8 Co3 N18 O6.7 W2 -","- C60 H51.6 Co6 N36 O13.4 W4 -","2","1","","Komori-Orisaku, Keiko; Imoto, Kenta; Koide, Yoshihiro; Ohkoshi, Shin-ichi","Mixed-Valence Cobalt(II/III)‒Octacyanidotungstate(IV/V) Ferromagnet","Crystal Growth & Design","2013","13","12","5267","","10.1021/cg401011d","","","0.75","synchrotron","","0.1393","0.0932","","","0.2255","0.2858","","","","","","1.026","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508452","7.5683","0.0008","15.1093","0.0008","9.1624","0.0006","90","","104.419","0.009","90","","1014.73","0.14","291","2","291","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H14 La N9 O11 -","- C14 H14 La N9 O11 -","- C28 H28 La2 N18 O22 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0312","0.0279","","","0.06","0.0618","","","","","","1.047","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508453","7.5429","0.0005","15.1009","0.0008","9.1529","0.0005","90","","104.527","0.006","90","","1009.23","0.11","291","2","291","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H14 Ce N9 O11 -","- C14 H14 Ce N9 O11 -","- C28 H28 Ce2 N18 O22 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0332","0.0293","","","0.0597","0.0618","","","","","","1.018","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508454","6.8998","0.0014","9.2699","0.0019","13.549","0.003","90","","92.58","0.03","90","","865.7","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N8 O8 Pb -","- C14 H14 N8 O8 Pb -","- C28 H28 N16 O16 Pb2 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0385","0.0255","","","0.0558","0.0616","","","","","","1.015","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508455","7.201","0.008","9.044","0.002","13.816","0.005","90","","95.04","0.05","90","","896.3","1.1","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cd N8 O8 -","- C14 H10 Cd N8 O8 -","- C28 H20 Cd2 N16 O16 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.1389","0.07","","","0.1555","0.2065","","","","","","0.949","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508456","9.5712","0.0019","10.701","0.002","8.8631","0.0018","90","","111.14","0.03","90","","846.7","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 Cd N4 O3 -","- C7 H4 Cd N4 O3 -","- C28 H16 Cd4 N16 O12 -","4","1","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0851","0.0773","","","0.2039","0.2108","","","","","","1.056","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508457","9.2545","0.0014","10.1923","0.001","8.8925","0.0011","90","","111.412","0.016","90","","780.89","0.19","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N4 O3 Zn -","- C7 H4 N4 O3 Zn -","- C28 H16 N16 O12 Zn4 -","4","1","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0735","0.0614","","","0.17","0.1795","","","","","","1.123","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508458","7.8256","0.0004","10.0204","0.0005","20.8235","0.0009","90","","90.102","0.002","90","","1632.89","0.14","288","2","288","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H12 Cd N2 O6 -","- C16 H12 Cd N2 O6 -","- C64 H48 Cd4 N8 O24 -","4","2","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0335","0.0251","","","0.0493","0.0517","","","","","","1.054","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508459","9.9478","0.0003","10.9061","0.0003","18.6373","0.0006","90","","103.236","0.001","90","","1968.28","0.1","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cd2 N O15 -","- C14 H14 Cd2 N O15 -","- C56 H56 Cd8 N4 O60 -","4","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0342","0.0243","","","0.0486","0.0522","","","","","","1.028","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508460","9.9344","0.0006","11.6032","0.0006","16.464","0.001","76.643","0.003","82.486","0.003","75.074","0.002","1779.05","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cd2 N4 O13 -","- C34 H28 Cd2 N4 O13 -","- C68 H56 Cd4 N8 O26 -","2","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0538","0.037","","","0.0754","0.0803","","","","","","1.098","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508461","9.8908","0.0007","14.3305","0.001","21.8335","0.0014","90","","95.183","0.002","90","","3082","0.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Cd2 N3 O13 -","- C30 H23 Cd2 N3 O13 -","- C120 H92 Cd8 N12 O52 -","4","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0582","0.0418","","","0.0871","0.0912","","","","","","1.117","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508462","10.1306","0.0004","10.1685","0.0004","11.9873","0.0005","83.831","0.002","78.767","0.002","81.005","0.002","1192.51","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 Cd3 N4 O24 -","- C48 H36 Cd3 N4 O24 -","- C48 H36 Cd3 N4 O24 -","1","0.5","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0245","0.0207","","","0.0485","0.0502","","","","","","1.049","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508463","6.8557","0.0004","10.49","0.0006","19.7921","0.0013","90","","96.419","0.004","90","","1414.45","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Mn N2 O7 V2 -","- C10 H10 Mn N2 O7 V2 -","- C40 H40 Mn4 N8 O28 V8 -","4","1","","Luo, Lan; Maggard, Paul A.","Effect of Ligand Coordination on the Structures and Visible-Light Photocatalytic Activity of Manganese Vanadate Hybrids","Crystal Growth & Design","2013","13","12","5282","","10.1021/cg401062f","","","0.71073","MoKα","","0.0871","0.0794","","","0.1706","0.1749","","","","","","1.199","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508464","3.9273","0.0001","28.2318","0.0006","11.0309","0.0002","90","","94.891","0.002","90","","1218.59","0.05","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CppOMe","4-methoxyphenyl-pyridin-4-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","0.71073","MoKα","","0.0483","0.0416","","","0.1106","0.1144","","","","","","1.461","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508465","11.0435","0.0002","12.1882","0.0002","9.1066","0.0002","90","","99.637","0.002","90","","1208.45","0.04","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CpmOMe","3-methoxyphenyl-pyridin-4-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.0579","0.046","","","0.1214","0.1295","","","","","","1.036","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508466","12.9035","0.0004","12.2505","0.0004","7.5124","0.0003","90","","105.507","0.004","90","","1144.29","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CpoOMe","2-methoxyphenyl-pyridin-4-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.0933","0.048","","","0.0884","0.1035","","","","","","0.938","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508467","5.8643","0.0001","7.2657","0.0001","28.2073","0.0006","90","","90","","90","","1201.86","0.04","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CmpOMe","4-methoxyphenyl-pyridin-3-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.0303","0.0278","","","0.0713","0.0736","","","","","","1.099","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508468","30.072","0.0007","30.072","0.0007","7.037","0.0002","90","","90","","120","","5511.2","0.2","294","2","294","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","CmmOMe","3-methoxyphenyl-pyridin-3-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C234 H216 N36 O54 -","18","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","1.54184","CuKα","","0.0333","0.0311","","","0.0797","0.0817","","","","","","1.066","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508469","3.9387","0.0003","14.3302","0.0011","20.6668","0.0018","90","","90.517","0.008","90","","1166.44","0.16","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CopOMe","4-methoxyphenyl-pyridin-2-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.0552","0.0433","","","0.1081","0.1173","","","","","","1.033","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508470","5.0984","0.0004","10.4111","0.0009","12.2585","0.0011","107.342","0.008","101.655","0.007","93.337","0.007","603.4","0.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","ComOMe","3-methoxyphenyl-pyridin-2-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C26 H24 N4 O6 -","2","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.1339","0.0584","","","0.0878","0.1145","","","","","","0.955","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508471","7.248","0.0008","7.5279","0.0008","11.8142","0.0014","92.36","0.009","96.283","0.01","115.193","0.011","577.02","0.13","294","2","294","2","","","","","","","","4","P -1","-P 1","2","CooOMe","2-methoxyphenyl-pyridin-2-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C26 H24 N4 O6 -","2","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","1.54184","CuKα","","0.0331","0.0314","","","0.0866","0.0883","","","","","","1.091","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508472","54.929","0.004","54.929","0.004","8.6324","0.0006","90","","90","","120","","22556","3","294","2","294","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C105 H97 N16 O24 -","- C105 H97 N16 O24 -","- C945 H873 N144 O216 -","9","0.5","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","1.54184","CuKα","","0.1146","0.0942","","","0.2203","0.2307","","","","","","1.146","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508473","14.6235","0.0012","12.2856","0.0011","14.1355","0.0014","90","","106.068","0.013","90","","2440.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N4 O10 Zn2 -","- C20 H20 N4 O10 Zn2 -","- C80 H80 N16 O40 Zn8 -","4","1","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1157","1.4053","","","","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508474","14.2107","0.0015","12.18","0.0016","14.2834","0.0012","90","","105.093","0.011","90","","2387","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13.88 N3 O9.44 Zn2 -","- C17 H13 N3 O9.441 Zn2 -","- C68 H52 N12 O37.764 Zn8 -","4","1","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1011","1.5122","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508475","16.4202","0.0012","12.0913","0.0017","11.5641","0.0016","90","","106.261","0.017","90","","2204.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O11 Zn2 -","- C17 H17 N3 O11 Zn2 -","- C68 H68 N12 O44 Zn8 -","4","1","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1011","1.5122","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508476","11.4637","0.0012","11.8882","0.0014","7.1062","0.0018","104.23","0.019","90.255","0.011","107.323","0.017","893","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","tetrakis(μ~2~-Isocinchomeronate-N,O,O')-deca-aqua-tetra-zinc(ii)","tetrakis(μ~2~-Pyridine-2,5-dicarboxylato-N,O,O')-deca-aqua-tetra-zinc(ii)","","- C28 H32 N4 O26 Zn4 -","- C28 H32 N4 O26 Zn4 -","- C28 H32 N4 O26 Zn4 -","1","0.5","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1157","1.4053","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508477","9.5951","0.0018","31.449","0.017","8.4876","0.0019","90","","115.659","0.016","90","","2308.6","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(pyridine-2-carboxylato-5-carboxylic acid-N,O)- bis(N,N-dimethylformamide-O)-zinc(II)","","- C20 H22 N4 O10 Zn -","- C20 H22 N4 O10 Zn -","- C80 H88 N16 O40 Zn4 -","4","1","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0587","2.4725","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508478","17.9666","0.0009","7.1635","0.0012","12.5582","0.0011","90","","110.958","0.009","90","","1509.4","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis(pyridine-2-carboxylato-5-carboxylic acid-N,O)-zinc(II)","","- C14 H10 N2 O9 Zn -","- C14 H10 N2 O9 Zn -","- C56 H40 N8 O36 Zn4 -","4","0.5","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1235","1.266","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508479","10.7389","0.0018","19.612","0.003","23.441","0.004","109.829","0.002","91.093","0.002","96.175","0.002","4609.1","1.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C192 H76 Cl56 Fe3 N26 P4 -","- C192 H76 Cl56 Fe3 N26 P4 -","- C192 H76 Cl56 Fe3 N26 P4 -","1","0.5","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Ishikawa, Manabu; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular Design of Anionic Phthalocyanines with π‒π Stacking Columnar Arrangement. Crystal Structures, Optical, and Magnetic Properties of Salts with the Iron(I) Hexadecachlorophthalocyanine Anions","Crystal Growth & Design","2013","13","11","4930","","10.1021/cg401118s","","","0.71073","MoKα","","0.1997","0.0687","","","0.0923","0.1107","","","","","","0.938","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508480","5.0706","0.0002","21.0079","0.001","29.7452","0.0014","90","","91.395","0.001","90","","3167.6","0.2","90","1","90","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H30 Cl16 Fe N9 P2 -","- C68 H30 Cl16 Fe N9 P2 -","- C136 H60 Cl32 Fe2 N18 P4 -","2","0.5","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Ishikawa, Manabu; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular Design of Anionic Phthalocyanines with π‒π Stacking Columnar Arrangement. Crystal Structures, Optical, and Magnetic Properties of Salts with the Iron(I) Hexadecachlorophthalocyanine Anions","Crystal Growth & Design","2013","13","11","4930","","10.1021/cg401118s","","","0.71073","MoKα","","0.0472","0.037","","","0.0875","0.0929","","","","","","1.025","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508481","5.0842","0.0003","21.0231","0.0014","29.8397","0.0019","90","","91.354","0.001","90","","3188.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H30 Cl16 Fe N9 P2 -","- C68 H30 Cl16 Fe N9 P2 -","- C136 H60 Cl32 Fe2 N18 P4 -","2","0.5","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Ishikawa, Manabu; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular Design of Anionic Phthalocyanines with π‒π Stacking Columnar Arrangement. Crystal Structures, Optical, and Magnetic Properties of Salts with the Iron(I) Hexadecachlorophthalocyanine Anions","Crystal Growth & Design","2013","13","11","4930","","10.1021/cg401118s","","","0.71073","MoKα","","0.0632","0.0422","","","0.0936","0.1038","","","","","","1.026","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508482","7.722","0.0006","9.1477","0.0007","15.4738","0.0012","90","","93.462","0.002","90","","1091.05","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 Na2 O14 Rh2 -","- C10 H12 N2 Na2 O14 Rh2 -","- C20 H24 N4 Na4 O28 Rh4 -","2","0.5","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","MoKα","","0.0422","0.0297","","","0.0727","0.0802","","","","","","1.052","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508483","8.3851","0.0002","12.1694","0.0003","15.5635","0.0004","90","","105.263","0.001","90","","1532.11","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","P132Rh","","","- C9 H12 N Na O10 Rh2 -","- C9 H12 N Na O10 Rh2 -","- C36 H48 N4 Na4 O40 Rh8 -","4","1","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","","","0.0546","0.0301","","","0.0625","0.0707","","","","","","1","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508484","12.375","0.004","13.372","0.003","15.74","0.003","97.41","0.02","110.01","0.03","102.37","0.02","2331.8","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 I2 K2 O9 Rh2 -","- C12 H20 I2 K2 O9 Rh2 -","- C48 H80 I8 K8 O36 Rh8 -","4","2","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","MoKα","","0.1003","0.0569","","","0.1498","0.1833","","","","","","0.997","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4508485","12.5875","0.001","12.7015","0.001","15.812","0.0015","66.75","0.003","72.652","0.004","75.657","0.003","2192.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","RhBr","","","- C24 H36 Br4 K4 O16 Rh4 -","- C24 H36 Br4 K4 O16 Rh4 -","- C48 H72 Br8 K8 O32 Rh8 -","2","1","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","","","0.0962","0.0586","","","0.1617","0.1823","","","","","","1.001","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508486","13.2906","0.0014","13.844","0.002","16.453","0.002","97.035","0.008","108.809","0.01","102.831","0.011","2731.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H60 Br K O26 Rh6 -","- C36 H60 Br K O26 Rh6 -","- C72 H120 Br2 K2 O52 Rh12 -","2","1","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","MoKα","","0.0503","0.032","","","0.0754","0.0875","","","","","","0.997","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508487","18.6118","0.0015","34.059","0.003","37.687","0.003","67.605","0.002","87.377","0.002","75.497","0.002","21351","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C112.75 H139 N20 O10.75 -","- C112.75 H108 N20 O10.75 -","- C902 H864 N160 O86 -","8","4","","Briggs, Michael E.; Jelfs, Kim E.; Chong, Samantha Y.; Lester, Catherine; Schmidtmann, Marc; Adams, Dave J.; Cooper, Andrew I.","Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods","Crystal Growth & Design","2013","13","11","4993","","10.1021/cg401171v","","","0.71073","MoKα","","0.1543","0.091","","","0.2262","0.2599","","","","","","1.112","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508488","25.5517","0.0015","12.7178","0.0007","26.1062","0.0015","90","","93.196","0.002","90","","8470.3","0.8","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C196 H196 N20 O12 -","- C195.5 H156 N20 O10 -","- C391 H312 N40 O20 -","2","0.5","","Briggs, Michael E.; Jelfs, Kim E.; Chong, Samantha Y.; Lester, Catherine; Schmidtmann, Marc; Adams, Dave J.; Cooper, Andrew I.","Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods","Crystal Growth & Design","2013","13","11","4993","","10.1021/cg401171v","","","0.71073","MoKα","","0.1181","0.086","","","0.2275","0.2517","","","","","","1.144","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508489","22.33972","0.00017","13.38025","0.00016","27.06738","0.0003","90","","91.1243","0.00079","90","","8089.18","0.15","363","","298","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","CC12","","","- C180 H156 N20 -","- C180 H156 N20 -","- C360 H312 N40 -","2","0.5","","Briggs, Michael E.; Jelfs, Kim E.; Chong, Samantha Y.; Lester, Catherine; Schmidtmann, Marc; Adams, Dave J.; Cooper, Andrew I.","Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods","Crystal Growth & Design","2013","13","11","4993","","10.1021/cg401171v","powder diffraction","","0.825556","synchrotron","","0.016","","","","","","","","1.88","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508490","28.18","0.002","18.404","0.0014","32.044","0.002","90","","112.174","0.001","90","","15389.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H24 Cu6 N6 O35.56 -","- C54 H24 Cu6 N6 O35.565 -","- C216 H96 Cu24 N24 O142.26 -","4","1","","Wang, Zhaoxu; Zheng, Baishu; Liu, Heting; Lin, Xiu; Yu, Xianyong; Yi, Pinggui; Yun, Ruirui","High-Capacity Gas Storage by a Microporous Oxalamide-Functionalized NbO-Type Metal‒Organic Framework","Crystal Growth & Design","2013","13","11","5001","","10.1021/cg401180r","","","0.71073","MoKα","","0.0921","0.0675","","","0.184","0.1963","","","","","","1.001","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508491","12.8344","0.0004","10.3729","0.0004","17.5387","0.0006","90","","93.849","0.002","90","","2329.66","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Co N6 O5 -","- C25 H20 Co N6 O5 -","- C100 H80 Co4 N24 O20 -","4","1","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.0698","0.0447","","","0.1211","0.1357","","","","","","1.016","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508492","8.1702","0.0004","15.7344","0.0013","22.5501","0.0015","91.459","0.006","93.38","0.005","93.366","0.005","2887.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H50 Co3 N12 O15 -","- C60 H50 Co3 N12 O15 -","- C120 H100 Co6 N24 O30 -","2","1","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.1718","0.0775","","","0.1597","0.217","","","","","","0.969","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508493","17.2061","0.0008","16.2099","0.0007","34.9123","0.0016","90","","94.604","0.003","90","","9705.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C95 H76 Co5 N18 O30 -","- C95 H76 Co5 N18 O30 -","- C380 H304 Co20 N72 O120 -","4","1","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.249","0.0789","","","0.1655","0.2072","","","","","","0.982","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508494","21.534","0.002","13.111","0.0014","21.387","0.002","90","","97.236","0.005","90","","5990.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 N12 O16 Zn3 -","- C60 H54 N12 O16 Zn3 -","- C240 H216 N48 O64 Zn12 -","4","1","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.0692","0.0423","","","0.1117","0.1285","","","","","","1.054","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508495","8.5478","0.0004","18.0515","0.0007","16.6294","0.0006","90","","98.933","0.002","90","","2534.8","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H54 Mn N12 O14 -","- C50 H54 Mn N12 O14 -","- C100 H108 Mn2 N24 O28 -","2","0.5","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.0704","0.0489","","","0.1212","0.1329","","","","","","1.024","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508496","30.739","0.005","11.1193","0.0017","16.729","0.003","90","","91.04","0.002","90","","5717","1.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N6 O10 Zn2 -","- C60 H48 N6 O10 Zn2 -","- C240 H192 N24 O40 Zn8 -","4","1","","Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Three 2D/2D →2D or 3D Coordination Polymers: Parallel Stacked, Interpenetration, and Polycatenated","Crystal Growth & Design","2013","13","11","5045","","10.1021/cg401207s","","","0.71073","MoKα","","0.0626","0.0539","","","0.1374","0.1389","","","","","","1.057","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4508497","11.4023","0.001","13.7749","0.0013","15.7837","0.0014","105.578","0.002","105.825","0.002","92.342","0.002","2280","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 N3 O6 S Zn -","- C42 H28 N3 O6 S Zn -","- C84 H56 N6 O12 S2 Zn2 -","2","1","","Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Three 2D/2D →2D or 3D Coordination Polymers: Parallel Stacked, Interpenetration, and Polycatenated","Crystal Growth & Design","2013","13","11","5045","","10.1021/cg401207s","","","0.71073","MoKα","","0.0682","0.0542","","","0.1436","0.1495","","","","","","0.985","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4508498","12.189","0.002","13.874","0.002","17.24","0.003","77.633","0.003","73.519","0.003","72.711","0.003","2642.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 N3 O5 Zn -","- C42 H28 N3 O5 Zn -","- C84 H56 N6 O10 Zn2 -","2","1","","Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Three 2D/2D →2D or 3D Coordination Polymers: Parallel Stacked, Interpenetration, and Polycatenated","Crystal Growth & Design","2013","13","11","5045","","10.1021/cg401207s","","","0.71073","MoKα","","0.0904","0.0512","","","0.1087","0.1135","","","","","","1.001","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4508499","14.6755","0.0014","17.0604","0.0014","20.1262","0.0018","103.72","0.005","94.693","0.006","92.822","0.005","4866.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H84 Mn4 N4 O28 -","- C108 H84 Mn4 N4 O28 -","- C216 H168 Mn8 N8 O56 -","2","1","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.1534","0.0577","","","0.1281","0.1677","","","","","","0.989","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508500","12.3961","0.0006","21.0059","0.0011","22.8699","0.0011","90","","90","","90","","5955.1","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C68 H52 Cu2 N8 O13 -","- C68 H52 Cu2 N8 O13 -","- C272 H208 Cu8 N32 O52 -","4","0.5","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0588","0.0437","","","0.124","0.141","","","","","","1.048","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508501","8.001","0.003","10.6","0.004","28.861","0.01","90","","103.98","0.02","90","","2375.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cu N O6 -","- C27 H20 Cu N O6 -","- C108 H80 Cu4 N4 O24 -","4","1","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0744","0.0516","","","0.1139","0.1217","","","","","","1.134","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508502","13.475","0.005","12.797","0.005","17.276","0.006","90","","110.072","0.004","90","","2798.1","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33.33 N2.67 O10.67 Zn2 -","- C44 H33.3333 N2.66667 O10.6667 Zn2 -","- C132 H100 N8 O32 Zn6 -","3","0.75","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0399","0.0298","","","0.0751","0.0803","","","","","","1.028","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508503","13.9742","0.0012","15.7792","0.0014","14.0779","0.0011","90","","116.132","0.005","90","","2786.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 N4 O13 Zn2 -","- C64 H48 N4 O13 Zn2 -","- C128 H96 N8 O26 Zn4 -","2","0.5","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.1481","0.095","","","0.2558","0.2757","","","","","","1.637","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508504","15.436","0.008","17.511","0.009","20.779","0.011","84.825","0.006","72.13","0.006","83.602","0.007","5303","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C117 H93 Co4 N5 O25 -","- C117 H93 Co4 N5 O25 -","- C234 H186 Co8 N10 O50 -","2","1","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0938","0.0553","","","0.1352","0.1613","","","","","","1.016","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508505","8.855","0.004","17.267","0.008","34.25","0.015","90","","102.274","0.012","90","","5117","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H84 Co4 N8 O24 -","- C112 H84 Co4 N8 O25 -","- C224 H168 Co8 N16 O50 -","2","0.5","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.1067","0.073","","","0.1596","0.1719","","","","","","1.143","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508506","10.673","0.002","14.657","0.003","18.405","0.004","90","","104.337","0.002","90","","2789.5","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Co N2 O6 -","- C32 H24 Co N2 O6 -","- C128 H96 Co4 N8 O24 -","4","1","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0601","0.0371","","","0.0823","0.0928","","","","","","1.015","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508507","4.9312","0.0003","19.156","0.0013","41.744","0.002","90","","90","","90","","3943.2","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 F O2 -","- C23 H23 F O2 -","- C184 H184 F8 O16 -","8","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.1407","0.0708","","","0.1083","0.1352","","","","","","1.087","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508508","16.2856","0.0006","8.4173","0.0004","14.5989","0.0006","90","","110.232","0.002","90","","1877.75","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F O2 -","- C23 H23 F O2 -","- C92 H92 F4 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.0718","0.0435","","","0.0776","0.0896","","","","","","0.906","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508509","12.006","0.002","23.51","0.004","8.2207","0.0013","90","","90","","90","","2320.4","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H30 F N O3 -","- C26 H30 F N O3 -","- C104 H120 F4 N4 O12 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.2205","0.0962","","","0.1184","0.1474","","","","","","1.103","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508510","10.1891","0.0003","12.1484","0.0004","15.5039","0.0004","90","","92.864","0.003","90","","1916.7","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 F O2 -","- C23 H23 F O2 -","- C92 H92 F4 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.0721","0.052","","","0.0975","0.1084","","","","","","0.964","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508511","12.0576","0.0009","18.7488","0.0011","18.9159","0.0014","90","","90","","90","","4276.2","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H52 F2 O5 S -","- C48 H52 F2 O5 S -","- C192 H208 F8 O20 S4 -","4","0.5","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.0747","0.0508","","","0.0776","0.0851","","","","","","1.183","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508512","8.385","0.0002","29.3923","0.0008","19.4179","0.0006","90","","93.876","0.002","90","","4774.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 F O3 S -","- C25 H29 F O3 S -","- C200 H232 F8 O24 S8 -","8","2","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.1326","0.0527","","","0.0835","0.0987","","","","","","1.008","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508513","9.0463","0.0005","9.5339","0.0006","13.1106","0.0008","98.763","0.004","103.988","0.004","96.474","0.004","1071.13","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 F O3 -","- C25 H27 F O3 -","- C50 H54 F2 O6 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.065","0.0448","","","0.0815","0.0877","","","","","","1.084","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508514","10.1337","0.0009","11.882","0.0007","18.8355","0.0016","90","","104.929","0.008","90","","2191.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 F O3 -","- C25 H27 F O3 -","- C100 H108 F4 O12 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.1862","0.0731","","","0.0814","0.1135","","","","","","1.124","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508515","10.3787","0.0009","13.598","0.0009","15.7691","0.0008","102.404","0.005","102.068","0.006","106.19","0.007","1999.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H45 Cs F2 O4 -","- C46 H45 Cs F2 O4 -","- C92 H90 Cs2 F4 O8 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.1215","0.0621","","","0.0652","0.0844","","","","","","1.023","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508516","7.9028","0.0013","13.74","0.003","13.9223","0.0016","61.675","0.014","86.564","0.013","84.041","0.017","1323.5","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","Ethyl 3-{3-[((2R)-3-{[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]amino}- 2-hydroxypropyl)oxy]-4,5-difluorophenyl}propanoate, hydrochloride salt","","- C27 H36 Cl F2 N O4 -","- C27 H35.5 Cl F2 N O4 -","- C54 H71 Cl2 F4 N2 O8 -","2","2","","Vogt, Frederick G.; Williams, Glenn R.; Johnson, Matthew N.; Copley, Royston C. B.","A Spectroscopic and Diffractometric Study of Polymorphism in Ethyl 3-{3-[((2R)-3-{[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]amino}-2-hydroxypropyl)oxy]-4,5-difluorophenyl}propanoate Hydrochloride","Crystal Growth & Design","2013","13","12","5353","","10.1021/cg401232g","","","0.71073","MoKα","","0.0952","0.0551","","","0.1051","0.1195","","","","","","1.024","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508517","30.2868","0.0007","30.2868","0.0007","64.156","0.003","90","","90","","90","","58850","3","120","2","120","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C96 H82 B4 Co5 F16 N38 O23 -","- C96 H82 B3 Co5 F12 N38 O23 -","- C1536 H1312 B48 Co80 F192 N608 O368 -","16","1","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.217","0.0991","","","0.2342","0.259","","","","","","1.328","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508518","12.9399","0.0003","12.9399","0.0003","16.4208","0.0006","90","","90","","90","","2749.52","0.13","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H40 Cu4 N24 O4 -","- C60 H40 Cu4 N24 O4 -","- C120 H80 Cu8 N48 O8 -","2","0.25","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.0304","0.0261","","","0.0607","0.0623","","","","","","1.019","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508519","5.3664","0.0012","10.819","0.003","14.774","0.003","110.777","0.009","95.364","0.009","92.319","0.009","796","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N7 O -","- C17 H15 N7 O -","- C34 H30 N14 O2 -","2","1","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.1261","0.0759","","","0.1755","0.1974","","","","","","1.022","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508520","15.4729","0.0005","12.5273","0.0004","15.3919","0.0006","90","","119.113","0.001","90","","2606.54","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 Mn N8 O9 -","- C19 H18 Cl2 Mn N8 O9 -","- C76 H72 Cl8 Mn4 N32 O36 -","4","1","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.0858","0.0567","","","0.1418","0.1582","","","","","","1.024","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508521","10.8622","0.0005","11.5477","0.0006","18.5728","0.0009","77.413","0.002","73.814","0.001","67.829","0.002","2055.17","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H13 N2 Na O6 S -","- C11 H13 N2 Na O6 S -","- C66 H78 N12 Na6 O36 S6 -","6","3","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71069","MoKα","","0.072","0.0443","","","0.094","0.1055","","","","","","1.008","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508522","6.7694","0.0003","11.5358","0.0005","11.5612","0.0005","78.143","0.002","88.395","0.003","82.401","0.002","875.8","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H42 N4 Na2 O20 S2 -","- C22 H42 N4 Na2 O20 S2 -","- C22 H42 N4 Na2 O20 S2 -","1","0.5","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71069","MoKα","","0.0791","0.0585","","","0.1402","0.1529","","","","","","1.037","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508523","6.4504","0.0002","14.9484","0.0004","19.9662","0.0005","90","","90","","90","","1925.2","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 Na O9 S -","- C14 H24 N2 Na O9 S -","- C56 H96 N8 Na4 O36 S4 -","4","1","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71069","MoKα","","0.0606","0.0399","","","0.0898","0.0982","","","","","","1.017","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508524","5.4449","0.0002","7.9375","0.0003","16.8558","0.0006","90.626","0.006","90.884","0.003","105.495","0.004","701.84","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H13 K N2 O6 S -","- C11 H13 K N2 O6 S -","- C22 H26 K2 N4 O12 S2 -","2","1","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71073","MoKα","","0.0625","0.0549","","","0.1507","0.1576","","","","","","1.117","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508525","5.9999","0.0002","17.7433","0.0009","15.7824","0.0007","90","","91.833","0.005","90","","1679.3","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 K N2 O6 S -","- C14 H17 K N2 O6 S -","- C56 H68 K4 N8 O24 S4 -","4","1","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71069","MoKα","","0.0563","0.0417","","","0.0986","0.1047","","","","","","1.037","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508526","11.2479","0.0004","14.1825","0.0006","15.5718","0.0006","90","","108.49","0.0011","90","","2355.83","0.16","290","1","290","1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25.5 H26 N O7 S -","- C25.5 H26 N O7 S -","- C102 H104 N4 O28 S4 -","4","2","","Kim, Ji-Soo; Jeong, Jae-Hyeok; Yun, Hoseop; Jazbinsek, Mojca; Kim, Jun Wan; Rotermund, Fabian; Kwon, O-Pil","Crystal Engineering of Acentric Styryl Quinolinium Crystals with Strongly Hydrogen-Bonded Phenolic Anions","Crystal Growth & Design","2013","13","11","5085","","10.1021/cg401261z","","","0.71073","MoKα","","0.1336","0.0526","","","0.1335","0.1814","","","","","","1.078","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508527","17.4536","0.0002","14.005","0.0004","10.2555","0.0005","90","","90","","90","","2506.83","0.14","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","α-naphthoxy-boronsubphthalocyanine","(1-naphthoxy)(subphthalocyaninato)boron","","- C34 H19 B N6 O -","- C34 H19 B N6 O -","- C136 H76 B4 N24 O4 -","4","0.5","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.1298","0.0957","","","0.2025","0.2156","","","","","","1.155","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508528","17.1461","0.0008","13.9303","0.0004","10.3758","0.0004","90","","90","","90","","2478.26","0.17","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","β-naphthoxy-boronsubphthalocyanine","(2-naphthoxy)(subphthalocyaninato)boron","","- C34 H19 B N6 O -","- C34 H19 B N6 O -","- C136 H76 B4 N24 O4 -","4","0.5","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.0673","0.0452","","","0.107","0.1186","","","","","","1.029","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508529","16.4833","0.0004","8.5514","0.0002","17.4722","0.0002","90","","101.009","0.0013","90","","2417.48","0.09","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-methoxyphenoxy-boronsubphthalocyanine","(4-methoxyphenoxy)(subphthalocyaninato) boron","","- C31 H19 B N6 O2 -","- C31 H19 B N6 O2 -","- C124 H76 B4 N24 O8 -","4","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.0632","0.0438","","","0.1086","0.1212","","","","","","1.041","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508530","11.5031","0.0014","19.732","0.002","13.1619","0.0016","90","","95.295","0.003","90","","2974.7","0.6","147","2","147","2","","","","","","","","6","P 1 c 1","P -2yc","7","β-naphthoxy-dodecafluorosubphthalocyanine","(2-naphthoxy)(dodecafluorosubphthalocyaninato)boron","","- C34 H7 B F12 N6 O -","- C34 H7 B F12 N6 O -","- C136 H28 B4 F48 N24 O4 -","4","2","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.099","0.0719","","","0.1882","0.2084","","","","","","1.029","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508531","11.5833","0.0004","12.7133","0.0003","41.9519","0.0016","90","","90","","90","","6177.9","0.3","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","β-naphthoxy-dodecafluorosubphthalocyanine","(2-naphthoxy)(dodecafluorosubphthalocyaninato)boron","","- C37 H10 B F12 N6 O -","- C37 H10 B F12 N6 O -","- C296 H80 B8 F96 N48 O8 -","8","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.1439","0.0646","","","0.152","0.2045","","","","","","1.024","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508532","14.832","0.003","14.832","0.003","14.751","0.003","90","","90","","120","","2810.3","1","100","2","100","2","","","","","","","","4","P 32","P 32","145","compound 2","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-fluorobenzene","","- C48 H53 F O4 -","- C48 H53 F O4 -","- C144 H159 F3 O12 -","3","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.082","0.056","","","0.1174","0.1287","","","","","","1.071","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508533","7.0769","0.0017","17.65","0.004","30.592","0.007","90","","90","","90","","3821.2","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 2","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-fluorobenzene","","- C48 H53 F O4 -","- C48 H53.001 F0.999 O4 -","- C192 H212.004 F3.996 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0632","0.0435","","","0.0932","0.1009","","","","","","1.052","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508534","7.0371","0.0011","17.64","0.003","31.045","0.005","90","","90","","90","","3853.8","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 3","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl]-1,2-difluorobenzene","","- C48 H52 F2 O4 -","- C48 H52 F2 O4 -","- C192 H208 F8 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0516","0.0395","","","0.0916","0.0978","","","","","","1.024","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508535","12.6657","0.00029","13.1555","0.0004","26.4441","0.0007","90","","90","","90","","4406.2","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","Compound 3","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl]-1,2-difluorobenzene","","- C52 H58 F2 N2 O4 -","- C52 H58 F2 N2 O4 -","- C208 H232 F8 N8 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","x-ray","0.71073","MoKα","","0.0686","0.0558","","","0.1322","0.1407","","","","","","1.086","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508536","12.898","0.002","13.128","0.002","28.309","0.005","90","","97.773","0.002","90","","4749.4","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl]-1,4-difluorobenzene","","- C54 H66 F2 N2 O6 -","- C54 H66 F2 N2 O6 -","- C216 H264 F8 N8 O24 -","4","2","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.1158","0.0665","","","0.1609","0.1889","","","","","","1.026","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508537","13.0753","0.0008","12.7032","0.0008","13.5212","0.0008","90","","103.593","0.001","90","","2182.9","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 4","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-1,4-difluorobenzene","","- C52 H58 F2 N2 O4 -","- C52 H58 F2 N2 O4 -","- C104 H116 F4 N4 O8 -","2","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.071","0.0479","","","0.0871","0.0964","","","","","","1.07","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508538","12.77","0.002","13.057","0.002","26.323","0.004","90","","90","","90","","4389","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 5","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-1,2,4,5-tetrafluorobenzene","","- C52 H56 F4 N2 O4 -","- C52 H56 F4 N2 O4 -","- C208 H224 F16 N8 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0603","0.0446","","","0.1103","0.1197","","","","","","1.023","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508539","17.3857","0.0019","19.968","0.002","22.353","0.002","90","","90","","90","","7760","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 5","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl] -1,2,4,5-tetrafluorobenzene","","- C48 H50 F4 O4 -","- C48 H50 F4 O4 -","- C384 H400 F32 O32 -","8","2","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0559","0.0401","","","0.0924","0.1001","","","","","","1.066","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508540","11.866","0.005","7.956","0.003","19.122","0.008","90","","101.329","0.005","90","","1770.1","1.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","compound 6","","","- C42 H54 O6 -","- C42 H54 O6 -","- C84 H108 O12 -","2","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0367","0.0312","","","0.0779","0.081","","","","","","1.094","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508541","8.5772","0.0002","8.5772","0.0002","25.7819","0.0007","90","","90","","90","","1896.73","0.08","304","","304","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C5 H9 F6 N2 P -","- C5 H9 F6 N2 P -","- C40 H72 F48 N16 P8 -","8","0.25","","Endo, Takatsugu; Masu, Hyuma; Fujii, Kozo; Morita, Takeshi; Seki, Hiroko; Sen, Sabyasachi; Nishikawa, Keiko","Determination of Missing Crystal Structures in the 1-Alkyl-3-methylimidazolium Hexafluorophosphate Series: Implications on Structure‒Property Relationships","Crystal Growth & Design","2013","13","12","5383","","10.1021/cg401293g","","","1.54178","CuKα","","0.061","0.0575","","","0.1901","0.2001","","","","","","1.121","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508542","8.533","0.0002","10.0546","0.0003","13.6646","0.0004","90","","106.105","0.001","90","","1126.36","0.05","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 F6 N2 P -","- C7 H13 F6 N2 P -","- C28 H52 F24 N8 P4 -","4","1","","Endo, Takatsugu; Masu, Hyuma; Fujii, Kozo; Morita, Takeshi; Seki, Hiroko; Sen, Sabyasachi; Nishikawa, Keiko","Determination of Missing Crystal Structures in the 1-Alkyl-3-methylimidazolium Hexafluorophosphate Series: Implications on Structure‒Property Relationships","Crystal Growth & Design","2013","13","12","5383","","10.1021/cg401293g","","","1.54178","CuKα","","0.0409","0.0389","","","0.1118","0.1138","","","","","","1.095","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508543","26.3657","0.0009","26.3657","0.0009","26.3657","0.0009","90","","90","","90","","18328.1","1.1","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C18 H6 Cu3 O12 S12.5 -","- C18 H6 Cu3 O12 S7.56 -","- C288 H96 Cu48 O192 S120.96 -","16","0.0833333","","Wang, Ziqi; Li, Xiang; Cui, Yuanjing; Yang, Yu; Pan, Hongge; Wang, Zhiyu; Wu, Chuande; Chen, Banglin; Qian, Guodong","A Metal‒Organic Framework with Open Metal Sites for Enhanced Confinement of Sulfur and Lithium‒Sulfur Battery of Long Cycling Life","Crystal Growth & Design","2013","13","11","5116","","10.1021/cg401304x","","","0.71073","MoKα","","0.1156","0.0756","","","0.2165","0.2365","","","","","","1.224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508544","14.1099","0.0003","17.4778","0.0003","5.3403","0.0002","90","","90","","90","","1316.97","0.06","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0345","0.0303","","","0.0686","0.0714","","","","","","1.047","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508545","7.6241","0.0003","9.5476","0.0004","17.8401","0.0007","90","","90","","90","","1298.61","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0552","0.0454","","","0.0776","0.0813","","","","","","1.061","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508546","29.4803","0.0017","4.9462","0.0002","21.6558","0.0013","90","","119.462","0.008","90","","2749.4","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H15.5 Cl0.5 N2 O2.5 -","- C15 H15.5 Cl0.5 N2 O2.5 -","- C120 H124 Cl4 N16 O20 -","8","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","1.5418","CuKα","","0.0446","0.0368","","","0.097","0.1044","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508547","20.2651","0.0009","5.8463","0.0003","23.8489","0.0009","90","","95.724","0.004","90","","2811.4","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16.6 Cl0.4 N O2.6 -","- C16 H16.596 Cl0.402 N O2.598 -","- C128 H132.768 Cl3.216 N8 O20.784 -","8","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.1077","0.0558","","","0.1047","0.1293","","","","","","1.061","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508548","5.3472","0.0002","10.3235","0.0003","49.6238","0.0017","90","","90","","90","","2739.32","0.16","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C120 H104 Br8 N16 O8 -","8","2","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0736","0.0589","","","0.0783","0.086","","","","","","1.11","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508549","7.812","0.0002","9.5016","0.0003","18.04","0.0007","90","","90","","90","","1339.05","0.08","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0462","0.0376","","","0.0702","0.0739","","","","","","1.042","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508550","5.0943","0.0011","11.11","0.002","26.065","0.005","90","","91.646","0.019","90","","1474.6","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br N2 O2 -","- C15 H15 Br N2 O2 -","- C60 H60 Br4 N8 O8 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","1.5418","CuKα","","0.1347","0.067","","","0.125","0.1624","","","","","","1.012","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508551","19.386129","0.000027","19.386129","","34.86739","0.00008","90","","90","","90","","13103.9","0.04","300","","","","","","","","","","","4","I 41","I 4bw","80","","","","- F15 K15 Mo5 O15 -","- F15 K15 Mo5 O15 -","- F240 K240 Mo80 O240 -","16","2","","Fry, Allyson M.; Woodward, Patrick M.","Structures of α-K3MoO3F3and α-Rb3MoO3F3: Ferroelectricity from Anion Ordering and Noncooperative Octahedral Tilting","Crystal Growth & Design","2013","13","12","5404","","10.1021/cg401342q","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508552","20.07484","0.00004","20.07484","","36.16937","0.00012","90","","90","","90","","14576.2","0.06","","","","","","","","","","","","4","I 41","I 4bw","80","","","","- F15 Mo5 O15 Rb15 -","- F15 Mo5 O15 Rb15 -","- F240 Mo80 O240 Rb240 -","16","2","","Fry, Allyson M.; Woodward, Patrick M.","Structures of α-K3MoO3F3and α-Rb3MoO3F3: Ferroelectricity from Anion Ordering and Noncooperative Octahedral Tilting","Crystal Growth & Design","2013","13","12","5404","","10.1021/cg401342q","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508553","12.543","0.003","6.6222","0.0016","22.218","0.005","90","","105.99","0.003","90","","1774.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Calcium Urate Hexahydrate","","","- C10 H18 Ca N8 O12 -","- C10 H18 Ca N8 O12 -","- C40 H72 Ca4 N32 O48 -","4","1","","Presores, Janeth B.; Cromer, Katherine E.; Capacci-Daniel, Christina; Swift, Jennifer A.","Calcium Urate Hexahydrate","Crystal Growth & Design","2013","13","12","5162","","10.1021/cg401356u","","","0.71073","MoKα","","0.112","0.0492","","","0.0884","0.1023","","","","","","0.915","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508554","8.273","0.005","28.875","0.005","18.694","0.005","90","0.005","95.048","0.005","90","0.005","4448","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 N3 O4 Sn2 -","- C43 H66 N3 O4 Sn2 -","- C172 H264 N12 O16 Sn8 -","4","1","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet","2D-Coordination Polymer Containing Interconnected 82-Membered Organotin Macrocycles","Crystal Growth & Design","2013","13","11","4655","","10.1021/cg401363p","","","0.71069","MoKα","","0.0877","0.0556","","","0.1274","0.1768","","","","","","1.117","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508555","11.3697","0.0006","15.0647","0.0007","17.648","0.0009","103.253","0.002","101.955","0.002","105.345","0.002","2719.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PCH269 Cd DDPrC[4] TMePhen","","","- C58 H70 Cd N4 O13 -","- C58 H64 Cd N4 O13 -","- C116 H128 Cd2 N8 O26 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.71073","MoKα","","0.0565","0.0439","","","0.1027","0.1092","","","","","","1.057","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508556","19.5995","0.0009","28.7424","0.0012","20.4414","0.0009","90","","91.627","0.003","90","","11510.7","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","6","","","- C231 H251 Cd4 N13 O37 -","- C231 H251 Cd4 N13 O37 -","- C462 H502 Cd8 N26 O74 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.71073","MoKα","","0.1393","0.113","","","0.2668","0.2787","","","","","","1.82","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508557","17.4037","0.0006","18.8062","0.0007","21.2318","0.0007","89.389","0.002","73.509","0.002","65.333","0.002","6008.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PCH667","","","- C234 H286 Cd4 N16 O54 -","- C222 H232 Cd4 N14 O38 -","- C222 H232 Cd4 N14 O38 -","1","0.5","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.7749","synchrotron","","0.0821","0.0629","","","0.1913","0.2064","","","","","","1.013","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508558","17.7359","0.001","19.866","0.0015","21.1162","0.0012","79.62","0.005","74.012","0.003","63.599","0.003","6392","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","8 - PCH532 Cd A-DDBuC[4] TMEPhen","","","- C129 H175 Cd2 N11 O32 -","- C129 H157 Cd2 N11 O32 -","- C258 H314 Cd4 N22 O64 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.71073","MoKα","","0.1136","0.0873","","","0.2529","0.2811","","","","","","1.068","","","","has coordinates,has disorder","264242","2021-04-16","08:52:18",""
"4508559","15.8642","0.0004","15.8642","0.0004","42.9758","0.0015","90","","90","","90","","10815.8","0.5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","PCH469","","","- C57 H65 Cd N5 O12 -","- C51 H42 Cd N3 O9 -","- C408 H336 Cd8 N24 O72 -","8","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.7749","synchrotron","","0.0687","0.0643","","","0.1764","0.1804","","","","","","1.048","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508560","15.39","0.03","9.709","0.015","8.871","0.013","90","","92.27","0.02","90","","1324","4","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F6 N3 -","- C12 H9 F6 N3 -","- C48 H36 F24 N12 -","4","1","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0604","","","","0.1846","","","","","","1.027","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508561","10.775","0.002","10.872","0.002","11.032","0.002","81.525","0.003","89.898","0.003","81.386","0.003","1263.5","0.4","283","","283","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 F6 N3 -","- C12 H9 F6 N3 -","- C48 H36 F24 N12 -","4","2","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0636","","","","0.1771","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508562","10.8134","0.0015","15.288","0.002","15.328","0.002","86.723","0.002","89.963","0.002","78.969","0.002","2482.9","0.6","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 F6 N3 -","- C12 H9 F6 N3 -","- C96 H72 F48 N24 -","8","4","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0483","","","","0.1447","","","","","","1.065","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508563","8.2744","0.0008","10.0481","0.0009","31.309","0.003","90","","90","","90","","2603.1","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 F6 N3 -","- C12 H9 F6 N3 -","- C96 H72 F48 N24 -","8","1","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0486","","","","0.155","","","","","","1.055","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508564","11.56","0.003","7.4129","0.0017","15.161","0.004","90","","90","","90","","1299.2","0.6","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H10 F6 N2 -","- C13 H10 F6 N2 -","- C52 H40 F24 N8 -","4","0.5","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0558","","","","0.173","","","","","","1.112","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508565","9.767","0.003","16.487","0.005","17.72","0.006","90","","95.112","0.005","90","","2842.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Eu N4 O10 -","- C32 H21 Eu N4 O10 -","- C128 H84 Eu4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0742","0.0566","","","0.1086","0.1197","","","","","","1.243","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508566","9.9742","0.0005","16.5215","0.0007","17.4335","0.0008","90","","94.691","0.004","90","","2863.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Gd N4 O10 -","- C32 H21 Gd N4 O10 -","- C128 H84 Gd4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0533","0.0354","","","0.0705","0.085","","","","","","1.01","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508567","9.978","0.002","16.448","0.004","17.116","0.004","90","","94.16","0.005","90","","2801.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 N4 O10 Tb -","- C32 H21 N4 O10 Tb -","- C128 H84 N16 O40 Tb4 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0504","0.0435","","","0.0696","0.0721","","","","","","1.161","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508568","10.029","0.003","16.49","0.004","17.307","0.004","90","","94.575","0.005","90","","2853.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Dy N4 O10 -","- C32 H21 Dy N4 O10 -","- C128 H84 Dy4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0559","0.0503","","","0.0741","0.076","","","","","","1.235","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508569","10.03","0.0005","16.4986","0.0007","17.3274","0.0009","90","","94.501","0.004","90","","2858.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Ho N4 O10 -","- C32 H21 Ho N4 O10 -","- C128 H84 Ho4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0359","0.0315","","","0.0724","0.0749","","","","","","1.117","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508570","10.0501","0.0009","16.4536","0.0013","17.0953","0.0014","90","","93.996","0.007","90","","2820","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Er N4 O10 -","- C32 H21 Er N4 O10 -","- C128 H84 Er4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0688","0.0574","","","0.1198","0.1254","","","","","","1.154","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508571","10.002","0.005","16.375","0.008","17.04","0.009","90","","94.053","0.007","90","","2784","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 N4 O10 Tm -","- C32 H21 N4 O10 Tm -","- C128 H84 N16 O40 Tm4 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.049","0.0412","","","0.0678","0.0706","","","","","","1.141","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508572","9.99","0.003","16.448","0.004","17.358","0.005","90","","94.361","0.004","90","","2843.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 N4 O10 Yb -","- C32 H21 N4 O10 Yb -","- C128 H84 N16 O40 Yb4 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0612","0.0486","","","0.0749","0.0796","","","","","","1.185","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508573","9.804","0.002","10.291","0.003","12.584","0.003","80.787","0.011","68.059","0.01","84.556","0.012","1161.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N4 O4 Zn -","- C26 H28 N4 O4 Zn -","- C52 H56 N8 O8 Zn2 -","2","1","","Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit","A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study","Crystal Growth & Design","2013","13","12","5442","","10.1021/cg401403a","","","0.71073","MoKα","","0.0511","0.0497","","","0.1616","0.1631","","","","","","1.147","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508574","9.2841","0.0011","10.7513","0.0013","13.1913","0.0015","75.121","0.005","73.02","0.005","83.385","0.005","1215.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cd N4 O4 -","- C26 H28 Cd N4 O4 -","- C52 H56 Cd2 N8 O8 -","2","1","","Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit","A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study","Crystal Growth & Design","2013","13","12","5442","","10.1021/cg401403a","","","0.71073","MoKα","","0.0306","0.0303","","","0.0946","0.0948","","","","","","1.064","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508575","10.2678","0.0008","13.0131","0.001","15.9584","0.0011","90","","110.229","0.005","90","","2000.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C88 H72 N16 O16 Zn4 -","4","1","","Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit","A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study","Crystal Growth & Design","2013","13","12","5442","","10.1021/cg401403a","","","0.71073","MoKα","","0.0437","0.0357","","","0.1025","0.1084","","","","","","1.066","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508576","10.327","0.003","12.999","0.004","15.985","0.005","90","","110.367","0.019","90","","2011.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co N4 O4 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","1","","Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit","A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study","Crystal Growth & Design","2013","13","12","5442","","10.1021/cg401403a","","","0.71073","MoKα","","0.0944","0.0909","","","0.2134","0.2161","","","","","","1.074","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508577","16.61","0.014","9.549","0.008","14.357","0.012","90","","112.545","0.012","90","","2103","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","","Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee","Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements","Crystal Growth & Design","2013","13","12","5450","","10.1021/cg401405g","","","0.71073","MoKα","","0.1417","0.0655","","","0.1754","0.212","","","","","","1.05","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508578","10.408","0.002","11.342","0.002","35.927","0.007","90","","90","","90","","4241.1","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C192 H232 N8 O24 -","8","1","","Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee","Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements","Crystal Growth & Design","2013","13","12","5450","","10.1021/cg401405g","","","0.71073","MoKα","","0.2118","0.04","","","0.0644","0.09","","","","","","0.654","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508579","10.365","0.006","14.306","0.008","16.199","0.009","67.375","0.01","79.079","0.007","71.988","0.007","2102","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","2","","Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee","Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements","Crystal Growth & Design","2013","13","12","5450","","10.1021/cg401405g","","","0.71073","MoKα","","0.1496","0.0457","","","0.0983","0.1234","","","","","","0.791","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508580","5.9523","0.0008","11.8173","0.0018","15.072","0.002","79.253","0.003","84.287","0.002","75.924","0.002","1008.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C48 H58 N2 O6 -","2","1","","Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee","Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements","Crystal Growth & Design","2013","13","12","5450","","10.1021/cg401405g","","","0.71073","MoKα","","0.0573","0.0439","","","0.1148","0.1221","","","","","","1.069","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508581","12.234","0.0003","7.0165","0.0002","26.8821","0.0006","90","","98.35","0.001","90","","2283.09","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O3 P S -","- C29 H23 O3 P S -","- C116 H92 O12 P4 S4 -","4","1","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.0481","0.0409","","","0.1035","0.111","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508582","14.8206","0.0014","13.3595","0.0012","18.0157","0.0018","90","","101.297","0.003","90","","3497.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C50 H38 O10 S34 -","- C50 H38 O10 S34 -","- C100 H76 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.0754","0.0652","","","0.1946","0.211","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508583","9.7713","0.0003","10.3882","0.0003","13.5829","0.0004","77.722","0.001","80.749","0.001","84.399","0.001","1326.81","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 O4 P S -","- C32 H28 O4 P S -","- C64 H56 O8 P2 S2 -","2","1","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.0396","0.0352","","","0.0919","0.0974","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508584","16.998","0.0004","13.1085","0.0002","16.7578","0.0004","90","","106.666","0.002","90","","3577.09","0.14","15","2","15","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.116","0.0626","","","0.1651","0.1846","","","","","","0.967","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508585","17.0026","0.0004","13.1098","0.0002","16.7604","0.0004","90","","106.641","0.002","90","","3579.44","0.14","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1368","0.0617","","","0.1532","0.1757","","","","","","0.861","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508586","17.0277","0.0004","13.1266","0.0002","16.7777","0.0004","90","","106.468","0.002","90","","3596.25","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1132","0.0824","","","0.2475","0.2682","","","","","","1.125","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508587","17.0424","0.0004","13.1358","0.0002","16.7881","0.0004","90","","106.441","0.002","90","","3604.61","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1154","0.0812","","","0.2441","0.2679","","","","","","1.104","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508588","17.0782","0.0004","13.1485","0.0002","16.8083","0.0004","90","","106.501","0.002","90","","3618.9","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1142","0.0809","","","0.2445","0.2666","","","","","","1.099","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508589","17.1362","0.0005","13.1715","0.0003","16.8588","0.0005","90","","106.732","0.003","90","","3644.09","0.18","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1215","0.0767","","","0.2273","0.2532","","","","","","0.974","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508590","17.211","0.0006","13.1953","0.0003","16.9054","0.0006","90","","106.968","0.004","90","","3672.2","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1317","0.0782","","","0.2214","0.2506","","","","","","0.918","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508591","17.3172","0.0005","13.2234","0.0003","16.9505","0.0006","90","","107.315","0.003","90","","3705.6","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1357","0.0809","","","0.2382","0.2733","","","","","","0.873","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508592","18.1674","0.0001","18.1674","0.0001","18.1674","0.0001","90","","90","","90","","5996.23","0.06","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C36 H18 In N6 O12 Ru -","- C36 In N6 O12 Ru -","- C144 In4 N24 O48 Ru4 -","4","0.0208333","","Zhang, Shuquan; Han, Liang; Li, Lina; Cheng, Jing; Yuan, Daqiang; Luo, Junhua","A Highly Symmetric Metal‒Organic Framework Based on a Propeller-Like Ru-Organic Metalloligand for Photocatalysis and Explosives Detection","Crystal Growth & Design","2013","13","12","5466","","10.1021/cg401438j","","","1.54184","CuKα","","0.0742","0.0727","","","0.2373","0.2391","","","","","","1.236","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508593","4.7867","0.0007","8.0049","0.0011","6.9093","0.001","90","","109.003","0.002","90","","250.32","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cr Li O7 P2 -","- Cr Li O7 P2 -","- Cr2 Li2 O14 P4 -","2","1","","Pachoud, Elise; Zhang, Weiguo; Tapp, Joshua; Liang, Kao-Chen; Lorenz, Bernd; Chu, Paul C. W.; Halasyamani, P. Shiv","Top-Seeded Single-Crystal Growth, Structure, and Physical Properties of Polar LiCrP2O7","Crystal Growth & Design","2013","13","12","5473","","10.1021/cg401442r","","","0.71073","MoKα","","0.0178","0.0177","","","0.0498","0.0499","","","","","","1.065","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508594","13.6393","0.0003","12.9385","0.0003","20.2697","0.0005","90","","92.442","0.001","90","","3573.79","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 F6 N5 Ni O8 -","- C31 H31 F6 N5 Ni O8 -","- C124 H124 F24 N20 Ni4 O32 -","4","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.1297","0.0722","","","0.1908","0.2215","","","","","","1.056","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508595","26.5039","0.0006","24.8378","0.0006","18.6663","0.0004","90","","120.771","0.001","90","","10558.1","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H50 N9 Ni2 O11 -","- C41 H40 N9 Ni2 O11 -","- C328 H320 N72 Ni16 O88 -","8","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.1375","0.0794","","","0.2077","0.2316","","","","","","1.164","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508596","10.13","0.0006","19.4772","0.0012","13.3539","0.0008","90","","90","","90","","2634.8","0.3","120","2","120","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C26 H42 N4 Ni O5 -","- C26 H34 N4 Ni O5 -","- C104 H136 N16 Ni4 O20 -","4","0.5","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0491","0.041","","","0.0962","0.0984","","","","","","1.109","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508597","13.739","0.006","15.73","0.007","18.234","0.008","90","","90","","90","","3941","3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 N10 Ni O8 S2 -","- C36 H38 N10 Ni O8 S2 -","- C144 H152 N40 Ni4 O32 S8 -","4","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.1306","0.0602","","","0.1274","0.1552","","","","","","0.989","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508598","12.2794","0.0014","9.136","0.001","16.2151","0.0017","90","","103.224","0.004","90","","1770.8","0.3","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H48 N8 Ni O6 -","- C34 H45 N8 Ni O6 -","- C68 H90 N16 Ni2 O12 -","2","0.5","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0669","0.0522","","","0.1437","0.1517","","","","","","1.094","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508599","10.178","0.006","12.409","0.007","13.39","0.008","78.63","0.016","75.404","0.015","85.896","0.016","1604","1.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 N4 Ni O6 S -","- C25 H24 N4 Ni O6 S -","- C50 H48 N8 Ni2 O12 S2 -","2","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0912","0.0538","","","0.131","0.148","","","","","","0.943","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508600","14.7437","0.0008","24.709","0.0013","20.6058","0.0011","90","","105.314","0.002","90","","7240.2","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29.88 H37.38 N5.63 Ni O7.63 -","- C28 H33 N5 Ni O7 -","- C224 H264 N40 Ni8 O56 -","8","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0847","0.0562","","","0.1425","0.1535","","","","","","0.984","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508601","19.562","0.0014","15.8621","0.0012","15.3525","0.0011","90","","90","","90","","4763.8","0.6","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C50 H50 N8 Ni O8 -","- C50 H50 N8 Ni O8 -","- C200 H200 N32 Ni4 O32 -","4","","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0311","0.0292","","","0.0757","0.0768","","","","","","1.078","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508602","29.9759","0.0001","29.9759","0.0001","29.9759","0.0001","90","","90","","90","","26935","0.16","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C52 H32 Cu4 N4 O18 -","- C52.12 Cu4.02 N3.96 O19.98 -","- C416.96 Cu32.16 N31.68 O159.84 -","8","0.0416667","","Lin, Qipu; Bu, Xianhui; Feng, Pingyun","Perfect Statistical Symmetrization of a Heterofunctional Ligand Induced by Pseudo-Copper Trimer in an Expanded Matrix of HKUST-1","Crystal Growth & Design","2013","13","12","5175","","10.1021/cg401579z","","","0.71073","MoKα","","0.0956","0.0798","","","0.2275","0.2504","","","","","","1.037","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508603","3.9967","0.0002","25.9143","0.0012","12.3646","0.0006","90","","95.947","0.004","90","","1273.73","0.11","292.23","0.1","292.23","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Cl N O2 -","- C15 H10 Cl N O2 -","- C60 H40 Cl4 N4 O8 -","4","1","","Han, Runfeng; Qi, Jing; Gu, Jixiang; Ma, Donghui; Xie, Xingang; She, Xuegong","N-Heterocyclic Carbene-Catalyzed Formal [3+2] Annulation of Alkynyl Aldehydes with Nitrosobenzenes: A Highly Regioselective Umpolung Strategy","ACS Catalysis","2013","3","12","2705","","10.1021/cs400602v","","","0.7107","MoKα","","0.0815","0.0511","","","0.0998","0.1207","","","","","","1.05","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508604","11.021","0.005","11.519","0.005","14.052","0.006","68.604","0.007","73.514","0.006","74.287","0.006","1564.5","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H102 N4 O2 Rh2 -","- C70 H102 N4 O2 Rh2 -","- C70 H102 N4 O2 Rh2 -","1","0.5","","Palacios, Laura; Artigas, Maria Jose; Polo, Victor; Lahoz, Fernando J.; Castarlenas, Ricardo; Pérez-Torrente, Jesús J.; Oro, Luis A.","Hydroxo‒Rhodium‒N-Heterocyclic Carbene Complexes as Efficient Catalyst Precursors for Alkyne Hydrothiolation","ACS Catalysis","2013","3","12","2910","","10.1021/cs400739y","","","0.71073","MoKα","","0.1317","0.0628","","","0.1073","0.1301","","","","","","0.951","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508605","22.6541","0.00016","8.25169","0.00006","17.39574","0.00012","90","","107.371","0.0003","90","","3103.55","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","4","C 1 2 1","C 2y","5","","","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C144 H168 N8 O16 -","8","2","","Goubert, Guillaume; Demers-Carpentier, Vincent; Loach, Richard P.; Lafleur-Lambert, Raphaél; Lemay, Jean-Christian; Boukouvalas, John; McBreen, Peter H.","Aminolactone Chiral Modifiers for Heterogeneous Asymmetric Hydrogenation: Corrected Structure of Pantoyl-Naphthylethylamine, In-Situ Hydrogenolysis, and Scanning Tunneling Microscopy Observation of Supramolecular Aminolactone/Substrate Assemblies on Pt(111)","ACS Catalysis","2013","3","12","2677","","10.1021/cs4007588","","","1.54178","CuKα","","0.0303","0.0301","","","0.085","0.0852","","","","","","1.046","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508606","28.7265","0.001","8.8069","0.0003","14.8574","0.0006","90","","95.337","0.004","90","","3742.5","0.2","115","50","115","50","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C13 H21 Au Cl N3 O5 S -","- C13 H21 Au Cl N3 O5 S -","- C104 H168 Au8 Cl8 N24 O40 S8 -","8","1","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones","ACS Catalysis","2013","3","12","3086","","10.1021/cs4009144","","","1.54184","CuKα","","0.0352","0.0287","","","0.0704","0.0745","","","","","","1.095","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508607","25.769","0.005","11.48","0.005","18.59","0.005","90","0.005","107.214","0.005","90","0.005","5253","3","150","","150","2","","","","","","","synthesis","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 Au Cl3 N3 O4 S2 -","- C14 H21 Au Cl3 N3 O4 S2 -","- C112 H168 Au8 Cl24 N24 O32 S16 -","8","1","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones","ACS Catalysis","2013","3","12","3086","","10.1021/cs4009144","","","1.5418","CuKα","","0.0908","0.0821","","","0.2258","0.2371","","","","","","1.072","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508608","24.0394","0.0005","8.8925","0.0001","21.0847","0.0004","90","","116.022","0.002","90","","4050.36","0.14","123","0.1","123","0.1","","","","","","","synthesis","7","P 1 2/c 1","-P 2yc","13","","","","- C14.5 H20 Au Cl3 N3 O3.5 S -","- C14.5 H20 Au Cl3 N3 O3.5 S -","- C116 H160 Au8 Cl24 N24 O28 S8 -","8","2","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones","ACS Catalysis","2013","3","12","3086","","10.1021/cs4009144","","","1.54184","CuKα","","0.061","0.0581","","","0.1663","0.1712","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508609","9.717","0.0001","12.6841","0.0001","13.5632","0.0002","90","","108.02","0.001","90","","1589.68","0.03","150","2","150","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Au Cl2 N3 O3 S -","- C12 H14 Au Cl2 N3 O3 S -","- C48 H56 Au4 Cl8 N12 O12 S4 -","4","1","","Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio","Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones","ACS Catalysis","2013","3","12","3086","","10.1021/cs4009144","","","1.5418","CuKα","","0.0409","0.0396","","","0.1067","0.108","","","","","","1.129","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508610","18.323","0.005","18.469","0.005","24.985","0.008","73.966","0.01","80.078","0.01","62.392","0.009","7191","4","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H50 Al30 Cu2 O184 S18 -","- C90 H50 Al30 Cu2 O184 S18 -","- C90 H50 Al30 Cu2 O184 S18 -","1","0.5","","Abeysinghe, Samangi; Corum, Katie W.; Neff, Diane L.; Mason, Sara E.; Forbes, Tori Z.","Contaminant adsorption on nanoscale particles: structural and theoretical characterization of cu(2+) bonding on the surface of keggin-type polyaluminum (al30) molecular species.","Langmuir : the ACS journal of surfaces and colloids","2013","29","46","14124","14134","10.1021/la402736t","","","0.71073","MoKα","","0.1025","0.0818","","","0.2456","0.2634","","","","","","1.082","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508611","11.9047","0.0004","12.2331","0.0004","12.3943","0.0004","90","","108.556","0.001","90","","1711.16","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C36 H50 O10 -","- C36 H50 O10 -","- C72 H100 O20 -","2","1","","Motiwala, Hashim F.; Bazzill, Joseph; Samadi, Abbas; Zhang, Huaping; Timmermann, Barbara N.; Cohen, Mark S.; Aub Jeffrey","Synthesis and Cytotoxicity of Semisynthetic Withalongolide A Analogues","ACS Medicinal Chemistry Letters","2013","4","11","1069","","10.1021/ml400267q","","","1.54178","CuKα","","0.0431","0.0431","","","0.1169","0.1169","","","","","","1.049","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508612","34.197","0.006","7.1577","0.0011","14.052","0.002","90","","90","","90","","3439.5","0.9","173","2","173","2","","","","","","","","3","C m c a","-C 2ac 2","64","11199Z","","","- C46 H30 F6 -","- C46 H30 F6 -","- C184 H120 F24 -","4","","","Xie, Wei; Prabhumirashi, Pradyumna L.; Nakayama, Yasuo; McGarry, Kathryn A.; Geier, Michael L.; Uragami, Yuki; Mase, Kazuhiko; Douglas, Christopher J.; Ishii, Hisao; Hersam, Mark C.; Frisbie, C. Daniel","Utilizing Carbon Nanotube Electrodes to Improve Charge Injection and Transport in Bis(trifluoromethyl)-dimethyl-rubrene Ambipolar Single Crystal Transistors.","ACS nano","2013","7","11","10245","10256","10.1021/nn4045694","","","0.71073","MoKα","","0.0915","0.0527","","","0.1331","0.156","","","","","","1.031","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508613","12.528","0.007","10.051","0.005","19.086","0.01","90","","90","","90","","2403","2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H8 N2 O S2 -","- C14 H8 N2 O S2 -","- C112 H64 N16 O8 S16 -","8","1","","Pati, Palas Baran; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.","Solution processable benzooxadiazole and benzothiadiazole based d-a-d molecules with chalcogenophene: field effect transistor study and structure property relationship.","ACS applied materials & interfaces","2013","5","23","12460","12468","10.1021/am403559a","","","0.71073","MoKα","","0.1961","0.1544","","","0.3891","0.4355","","","","","","1.704","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508614","19.874","0.005","5.1023","0.0012","12.693","0.003","90","","90","","90","","1287.1","0.5","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H8 N2 O Se2 -","- C14 H8 N2 O Se2 -","- C56 H32 N8 O4 Se8 -","4","1","","Pati, Palas Baran; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.","Solution processable benzooxadiazole and benzothiadiazole based d-a-d molecules with chalcogenophene: field effect transistor study and structure property relationship.","ACS applied materials & interfaces","2013","5","23","12460","12468","10.1021/am403559a","","","0.71073","MoKα","","0.079","0.0505","","","0.1274","0.145","","","","","","1.077","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508615","12.807","0.002","9.9871","0.0018","20.311","0.003","90","","90","","90","","2597.9","0.7","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H8 N2 S3 -","- C14 H8 N2 S3 -","- C112 H64 N16 S24 -","8","1","","Pati, Palas Baran; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.","Solution processable benzooxadiazole and benzothiadiazole based d-a-d molecules with chalcogenophene: field effect transistor study and structure property relationship.","ACS applied materials & interfaces","2013","5","23","12460","12468","10.1021/am403559a","","","0.71073","MoKα","","0.0955","0.0581","","","0.1545","0.1828","","","","","","1.075","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508616","16.1045","0.0014","12.8052","0.001","6.4559","0.0005","90","","90","","90","","1331.34","0.19","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 S Se2 -","- C14 H8 N2 S Se2 -","- C56 H32 N8 S4 Se8 -","4","1","","Pati, Palas Baran; Senanayak, Satyaprasad P.; Narayan, K. S.; Zade, Sanjio S.","Solution processable benzooxadiazole and benzothiadiazole based d-a-d molecules with chalcogenophene: field effect transistor study and structure property relationship.","ACS applied materials & interfaces","2013","5","23","12460","12468","10.1021/am403559a","","","0.71073","MoKα","","0.0577","0.0427","","","0.1146","0.1255","","","","","","0.942","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4510602","9.8991","0.001","9.8991","0.001","19.413","0.002","90","","90","","90","","1902.3","0.3","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C21 H17 N O3 S -","- C21 H17 N O3 S -","- C84 H68 N4 O12 S4 -","4","1","","Zhang, Yongqiang; Wang, Shengzheng; Wu, Shanchao; Zhu, Shiping; Dong, Guoqiang; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian; Sheng, Chunquan; Wang, Wei","Facile construction of structurally diverse thiazolidinedione-derived compounds via divergent stereoselective cascade organocatalysis and their biological exploratory studies.","ACS combinatorial science","2013","15","6","298","308","10.1021/co400022r","","","1.54178","CuKα","","0.0384","0.034","","","0.0983","0.1043","","","","","","0.744","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510603","11.1316","0.0003","7.8164","0.0002","14.689","0.0004","90","","97.406","0.002","90","","1267.41","0.06","233","2","233","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H12 N O2.5 S2 -","- C12 H12 N O2.5 S2 -","- C48 H48 N4 O10 S8 -","4","2","","Zhang, Yongqiang; Wang, Shengzheng; Wu, Shanchao; Zhu, Shiping; Dong, Guoqiang; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian; Sheng, Chunquan; Wang, Wei","Facile construction of structurally diverse thiazolidinedione-derived compounds via divergent stereoselective cascade organocatalysis and their biological exploratory studies.","ACS combinatorial science","2013","15","6","298","308","10.1021/co400022r","","","1.54178","CuKα","","0.0432","0.0405","","","0.112","0.1187","","","","","","0.894","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510604","23.9162","0.0007","16.8152","0.0006","15.658","0.0006","90","","92.811","0.001","90","","6289.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H38 Cl2 N2 O4 -","- C33 H38 Cl2 N2 O4 -","- C264 H304 Cl16 N16 O32 -","8","1","","Tisserant, Jean-Nicolas; Wicht, Gaëtan; Göbel, Ole F; Bocek, Eva; Bona, Gian-Luca; Geiger, Thomas; Hany, Roland; Mezzenga, Raffaele; Partel, Stefan; Schmid, Peter; Schweizer, Wolfhard Bernd; Heier, Jakob","Growth and alignment of thin film organic single crystals from dewetting patterns.","ACS nano","2013","7","6","5506","5513","10.1021/nn401679s","","","0.71073","MoKα","","0.106","0.0733","","","0.2063","0.2259","","","","","","1.466","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510605","14.46","0.006","6.9","0.002","16.821","0.008","90","","99.628","0.016","90","","1654.7","1.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1204","0.0583","","","0.1021","0.1181","","","","","","1.11","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510606","14.469","0.006","6.995","0.002","16.938","0.008","90","","99.715","0.016","90","","1689.7","1.2","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1114","0.0547","","","0.0864","0.0995","","","","","","1.142","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510607","14.473","0.006","6.872","0.002","16.755","0.008","90","","99.721","0.016","90","","1642.5","1.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1132","0.0537","","","0.1015","0.1157","","","","","","1.08","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510608","14.457","0.006","6.943","0.002","16.878","0.008","90","","99.648","0.016","90","","1670.2","1.2","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1044","0.053","","","0.0937","0.1037","","","","","","1.354","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510609","14.37","0.006","6.25","0.002","16.67","0.008","90","","99.413","0.016","90","","1477","1.1","30","","30","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1138","0.0668","","","0.1291","0.1416","","","","","","1.264","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510610","14.426","0.006","6.808","0.002","16.712","0.008","90","","99.429","0.016","90","","1619.1","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1067","0.0545","","","0.1032","0.1152","","","","","","1.119","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510611","9.7845","0.0015","8.9435","0.0013","9.45","0.0012","90","","97.577","0.005","90","","819.7","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C28 H16 N8 O24 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71075","MoKα","","0.0881","0.0442","","","0.0954","0.1423","","","","","","1.145","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510612","9.9026","0.001","8.9085","0.0008","9.4714","0.0007","90","","96.533","0.003","90","","830.12","0.13","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C28 H16 N8 O24 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71075","MoKα","","0.0794","0.0423","","","0.0992","0.1263","","","","","","1.123","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510613","10.0486","0.0012","8.8884","0.0009","9.5167","0.0008","90","","95.634","0.003","90","","845.89","0.15","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C28 H16 N8 O24 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71075","MoKα","","0.0893","0.0516","","","0.1115","0.1282","","","","","","0.975","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510614","20.08","0.005","8.7","0.005","9.6","0.005","90","","109.75","0.01","90","","1578.4","1.3","20","","20","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.0705","0.0448","","","0.1266","0.1387","","","","","","1.027","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510615","20.3727","0.0012","8.7522","0.0004","9.6991","0.0006","90","","110.093","0.002","90","","1624.15","0.16","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71073","MoKα","","0.0314","0.0293","","","0.0839","0.0852","","","","","","1.043","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510616","21.042","0.003","8.7285","0.0009","9.7693","0.001","90","","111.118","0.004","90","","1673.8","0.3","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71073","MoKα","","0.0421","0.0345","","","0.1006","0.1059","","","","","","1.104","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510617","20.6923","0.0018","8.7492","0.0006","9.7407","0.0009","90","","110.57","0.003","90","","1651","0.2","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71073","MoKα","","0.0347","0.0314","","","0.0888","0.091","","","","","","1.054","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510618","10.6829","0.0014","20.759","0.003","10.5063","0.0015","90","","95.807","0.012","90","","2318","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","syn-1a.2MeOH","","","- C16 H30 B10 N2 O4 -","- C16 H30 B10 N2 O4 -","- C64 H120 B40 N8 O16 -","4","1","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71073","MoKα","","0.1138","0.0701","","","0.178","0.2193","","","","","","1.059","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510619","28.26","0.002","16.0016","0.0008","20.5751","0.0016","90","","111.289","0.009","90","","8669.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","anti-1a.MeOH","","","- C15 H26 B10 N2 O3 -","- C15 H26 B10 N2 O3 -","- C240 H416 B160 N32 O48 -","16","2","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71073","MoKα","","0.1178","0.0818","","","0.2251","0.2529","","","","","","1.082","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510620","16.04","0.003","20.284","0.004","26.321","0.006","90","","90","","90","","8564","3","100","2","100","2","","","","","","","Will Stoate","5","P b c a","-P 2ac 2ab","61","Anti-1a:EtOH","","","- C16 H28 B10 N2 O3 -","- C16 H28 B10 N2 O3 -","- C256 H448 B160 N32 O48 -","16","2","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71075","MoKα","","0.1382","0.1264","","","0.2439","0.2499","","","","","","1.35","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510621","14.947","0.003","11.1698","0.0019","11.0133","0.0018","90","","90","","90","","1838.7","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","syn-1b","","","- C14 H22 B10 N2 O2 -","- C14 H22 B10 N2 O2 -","- C56 H88 B40 N8 O8 -","4","1","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71073","MoKα","","0.1112","0.0638","","","0.1263","0.1544","","","","","","0.994","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510622","6.8505","0.0002","22.9746","0.0008","15.8013","0.0006","90","","93.117","0.002","90","","2483.25","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","anti-1d:2H20","","","- C22 H30 B10 N2 O4 -","- C22 H30 B10 N2 O4 -","- C88 H120 B40 N8 O16 -","4","1","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","1.54178","CuKα","","0.0543","0.0393","","","0.0941","0.103","","","","","","1.044","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510623","12.7294","0.0002","15.8942","0.0003","20.7959","0.0005","87.452","0.001","72.76","0.001","85.372","0.001","4004.43","0.14","120","2","120","2","","","","","","","Jose Giner Planas","4","P -1","-P 1","2","syn-1f:0.25H2O","","","- C64 H98 B40 O9 -","- C64 H98 B40 O9 -","- C128 H196 B80 O18 -","2","1","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71073","MoKα","","0.1065","0.0719","","","0.1538","0.1688","","","","","","1.085","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4510624","14.555","0.004","14.95","0.004","8.557","0.003","90","","92.473","0.004","90","","1860.2","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aceclofenac-piperazine(0.5)-hydrate","","- C18 H20 Cl2 N2 O5 -","- C18 H20 Cl2 N2 O5 -","- C72 H80 Cl8 N8 O20 -","4","1","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0351","0.0335","","","0.0814","0.0825","","","","","","1.103","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510625","18.379","0.004","4.3789","0.0011","13.658","0.003","90","","90","","90","","1099.2","0.4","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-acetyloxy-3-acetylaminobenzoic acid","2-acetyloxy-3-acetylaminobenzoic acid","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","","Kendrick, John; Montis, Riccardo; Hursthouse, Michael B.; Leusen, Frank J. J.","“In-SilicoSeeding”: Isostructurality and Pseudoisostructurality in a Family of Aspirin Derivatives","Crystal Growth & Design","2013","13","7","2906","","10.1021/cg4003324","","","0.71073","MoKα","","0.1533","0.0913","","","0.1723","0.2057","","","","","","1.178","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510626","7.9457","0.0002","8.0305","0.0002","9.6719","0.0002","110.801","0.001","99.754","0.002","105.371","0.002","531.97","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2-acetyloxy-5-acetylaminobenzoic acid","2-acetyloxy-5-acetylaminobenzoic acid","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","","Kendrick, John; Montis, Riccardo; Hursthouse, Michael B.; Leusen, Frank J. J.","“In-SilicoSeeding”: Isostructurality and Pseudoisostructurality in a Family of Aspirin Derivatives","Crystal Growth & Design","2013","13","7","2906","","10.1021/cg4003324","","","0.71073","MoKα","","0.0388","0.035","","","0.0905","0.0933","","","","","","1.042","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510627","9.8775","0.0005","4.8547","0.0002","18.343","0.001","90","","104.957","0.002","90","","849.79","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7.43 F0.57 O4 -","- C9 H7.43 F0.57 O4 -","- C36 H29.72 F2.28 O16 -","4","1","","Kendrick, John; Montis, Riccardo; Hursthouse, Michael B.; Leusen, Frank J. J.","“In-SilicoSeeding”: Isostructurality and Pseudoisostructurality in a Family of Aspirin Derivatives","Crystal Growth & Design","2013","13","7","2906","","10.1021/cg4003324","","","0.71073","MoKα","","0.0799","0.0469","","","0.0958","0.1082","","","","","","1.035","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510628","10.986","0.007","14.734","0.009","26.658","0.016","90","","98.132","0.01","90","","4272","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H48 As2 N7 O37 W8 -","- C7 H28 As2 N7 O37 W8 -","- C28 H112 As8 N28 O148 W32 -","4","1","","Yang, Lei; Ma, Xiang; Ma, Pengtao; Hua, Jiai; Niu, Jingyang","A Series of Arsenotungstates Based on the [HAs2W8O31]7‒Building Block: Syntheses by Control of the Reaction Process","Crystal Growth & Design","2013","13","7","2982","","10.1021/cg4004033","","","0.71073","MoKα","","0.0531","0.0345","","","0.0606","0.0643","","","","","","0.992","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510629","13.2557","0.0014","17.1985","0.0019","22.291","0.002","73.312","0.002","74.903","0.002","80.82","0.002","4680","0.8","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C13 H91 As2 Cl1.5 N13 Na0.5 Ni3 O74 W17 -","- C13 H52 As2 Cl1.5 N13 Na0.5 Ni3 O74 W17 -","- C26 H104 As4 Cl3 N26 Na Ni6 O148 W34 -","2","1","","Yang, Lei; Ma, Xiang; Ma, Pengtao; Hua, Jiai; Niu, Jingyang","A Series of Arsenotungstates Based on the [HAs2W8O31]7‒Building Block: Syntheses by Control of the Reaction Process","Crystal Growth & Design","2013","13","7","2982","","10.1021/cg4004033","","","0.71073","MoKα","","0.077","0.0512","","","0.1219","0.1312","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510630","16.933","0.006","14.724","0.005","18.359","0.005","90","","120.21","0.02","90","","3956","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H68 As2 N12 Ni4 O78 W18 -","- C12 H48 As2 N12 Ni4 O78 W18 -","- C24 H96 As4 N24 Ni8 O156 W36 -","2","0.5","","Yang, Lei; Ma, Xiang; Ma, Pengtao; Hua, Jiai; Niu, Jingyang","A Series of Arsenotungstates Based on the [HAs2W8O31]7‒Building Block: Syntheses by Control of the Reaction Process","Crystal Growth & Design","2013","13","7","2982","","10.1021/cg4004033","","","0.71073","MoKα","","0.0434","0.0308","","","0.062","0.0656","","","","","","1.002","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510631","11.914","0.0016","10.714","0.002","16.176","0.002","90","","109.43","0.01","90","","1947.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ditheobrominesilver(I) perchlorate","Ditheobrominesilver(I) perchlorate","","- C14 H16 Ag Cl N8 O8 -","- C14 H16 Ag Cl N8 O8 -","- C56 H64 Ag4 Cl4 N32 O32 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0753","0.0381","","","0.0955","0.1094","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510632","7.4803","0.0008","16.162","0.003","16.974","0.0018","90","","101.21","0.008","90","","2012.9","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Aquaditherobrominesilver(I) perchlorate","Aquaditherobrominesilver(I) perchlorate","","- C14 H18 Ag Cl N8 O9 -","- C14 H18 Ag Cl N8 O9 -","- C56 H72 Ag4 Cl4 N32 O36 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0457","0.034","","","0.0914","0.1018","","","","","","1.069","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510633","7.2094","0.0004","14.3497","0.0008","15.5978","0.0009","69.658","0.004","83.826","0.004","86.8","0.004","1503.93","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(ditheobrominesilver) tetrahydrogendecavandate","Bis(ditheobrominesilver)tetrahydrogendi-mu6-oxo-tetra-mu3-oxo- tetradeca-mu-oxo-octaoxodecavanadate trihydrate","","- C28 H42 Ag2 N16 O39 V10 -","- C28 H32 Ag2 N16 O39 V10 -","- C28 H32 Ag2 N16 O39 V10 -","1","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0667","0.044","","","0.1308","0.1444","","","","","","1.05","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510634","12.8296","0.0004","14.24","0.0004","22.0804","0.0006","90.268","0.002","98.412","0.002","94.089","0.002","3979.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(ditheobrominesilver)dichromate hemihydrate","Bis(ditheobrominesilver)dichromate hemihydrate","","- C28 H33 Ag2 Cr2 N16 O15.5 -","- C28 H32 Ag2 Cr2 N16 O15.5 -","- C112 H128 Ag8 Cr8 N64 O62 -","4","2","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0755","0.052","","","0.1369","0.1501","","","","","","1.025","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510635","7.1571","0.001","12.0982","0.0016","12.256","0.0019","80.026","0.017","79.179","0.017","87.789","0.016","1026.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(ditheobrominesilver)dichromate hemihydrate","Bis(ditheobrominesilver)dichromate hemihydrate","","- C28 H33 Ag2 Cr2 N16 O15.5 -","- C28 H32 Ag2 Cr2 N16 O15.5 -","- C28 H32 Ag2 Cr2 N16 O15.5 -","1","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.089","0.0382","","","0.0755","0.0875","","","","","","0.848","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510636","21.7118","0.0006","17.8399","0.0004","18.8061","0.0005","90","","122.236","0.002","90","","6161.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(ditheobrominesilver)hydroniumsilveroctamolybdate hexahydrate","Bis(ditheobrominesilver)hydronium(silverdi-mu4-oxo-tetra-mu3- oxo-hexa-mu-oxo-tetradecaoxooctamolybdate) hexahydrate","","- C28 H47 Ag3 Mo8 N16 O41 -","- C28 H32 Ag3 Mo8 N16 O41 -","- C112 H128 Ag12 Mo32 N64 O164 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0441","0.0372","","","0.1177","0.1227","","","","","","1.043","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510637","28.0789","0.0011","6.3957","0.0001","21.3742","0.0008","90","","98.857","0.003","90","","3792.7","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Di(theobrominesilver)silver hexahydrogenoctamolybdatochromate","Di(theobrominesilver)silver hexa-mu3-hydroxo-hexa-mu-oxo- [7-chromiumhexakis(dioxomolybdenum)]ate","","- C14 H26 Ag3 Cr Mo6 N8 O30 -","- C14 H22 Ag3 Cr Mo6 N8 O30 -","- C56 H88 Ag12 Cr4 Mo24 N32 O120 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0412","0.0309","","","0.0758","0.0806","","","","","","1.027","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510638","10.4692","0.001","12.1347","0.0012","14.4977","0.0014","85.47","0.008","77.104","0.008","77.693","0.008","1753.1","0.3","170","2","170","2","","","","","","","","7","P -1","-P 1","2","Bis(ditheobrominesilver)hexamolybdatonickelate dihydronium dihydrogencarbonate pentadecahydrate","Bis(ditheobrominesilver) dihydronium hexa-mu3-hydroxo-hexa-mu-oxo- [7-nickelhexakis(dioxomolybdenum)]ate dihydrogencarbonate pentadecahydrate'","","- C29 H76 Ag2 Mo6 N16 Ni O52 -","- C29 H38 Ag2 Mo6 N16 Ni O52 -","- C29 H38 Ag2 Mo6 N16 Ni O52 -","1","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0406","0.0383","","","0.0995","0.1017","","","","","","1.086","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510639","11.9883","0.0004","11.9883","0.0004","11.9883","0.0004","90","","90","","90","","1722.95","0.1","293","2","293","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","mayenite","","","- Al14 Ca12 O33 -","- Al14.004 Ca11.994 O32.984 -","- Al28.008 Ca23.988 O65.968 -","2","0.0416667","","Ebbinghaus, Stefan G.; Krause, Holger; Syrowatka, Frank","Floating Zone Growth of Large and Defect-free Ca12Al14O33Single Crystals","Crystal Growth & Design","2013","13","7","2990","","10.1021/cg400406t","","","0.71073","MoKα","","0.0263","0.026","","","0.0555","0.0557","","","","","","1.117","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510640","7.0587","0.0012","12.432","0.002","19.09","0.004","90","","90","","90","","1675.2","0.5","223","2","223","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C16 H10 Ba2 O10 -","- C16 H10 Ba2 O10 -","- C64 H40 Ba8 O40 -","4","1","","Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu","Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands","Crystal Growth & Design","2013","13","7","2965","","10.1021/cg4003803","","","0.71075","MoKα","","0.0162","0.0156","","","0.0412","0.0414","","","","","","1.131","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510641","6.9551","0.0019","5.9467","0.0015","13.852","0.004","90","","92.399","0.004","90","","572.4","0.3","223","2","223","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C7 H4 Ba0.5 O2 -","- C7 H4 Ba0.5 O2 -","- C28 H16 Ba2 O8 -","4","0.5","","Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu","Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands","Crystal Growth & Design","2013","13","7","2965","","10.1021/cg4003803","","","0.71075","MoKα","","0.0129","0.0129","","","0.0345","0.0345","","","","","","1.138","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510642","25.984","0.003","25.984","0.003","13.9986","0.0015","90","","90","","90","","9451.4","1.8","223","2","223","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C16 H9.5 Ba1.5 N0.5 O8.5 -","- C16 H9.5 Ba1.5 N0.5 O8.5 -","- C256 H152 Ba24 N8 O136 -","16","1","","Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu","Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands","Crystal Growth & Design","2013","13","7","2965","","10.1021/cg4003803","","","0.71075","MoKα","","0.044","0.0396","","","0.1315","0.1483","","","","","","1.244","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510643","9.289","0.004","10.21","0.005","17.241","0.007","90","","99.938","0.003","90","","1610.6","1.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[diaqua(mu-isophthalato-k2O,O':kO'')(9-methyladenine-kN7)copper(II)]","","- C14 H15 Cu N5 O6 -","- C14 H15 Cu N5 O6 -","- C56 H60 Cu4 N20 O24 -","4","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.0559","0.0395","","","0.0932","0.0979","","","","","","0.929","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510644","16.628","0.0004","16.628","0.0004","11.049","0.0005","90","","90","","90","","3054.94","0.17","100","2","100","2","","","","","","","synthesis as described","5","P -4 21 c","P -4 2n","114","","Poly[(mu-isophthalato-k2O,O':k2O'',O''')(mu-9-methyladenine-kN1:kN7)copper(II)]","","- C14 H11 Cu N5 O4 -","- C14 H4 Cu N5 O4 -","- C112 H32 Cu8 N40 O32 -","8","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.142","0.1286","","","0.2582","0.2662","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510645","13.458","0.002","13.046","0.001","13.826","0.002","90","","96.922","0.012","90","","2409.8","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","Poly[bis(mu-isophthalato-kO:kO':kO'':kO''')bis(9-methyladenine-kN7) dicopper(II)‒isophthalic acid (1/2)]","","- C44 H34 Cu2 N10 O16 -","- C44 H34 Cu2 N10 O16 -","- C88 H68 Cu4 N20 O32 -","2","0.5","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.204","0.105","","","0.2571","0.3001","","","","","","0.894","","","","has coordinates","194590","2020-10-21","18:00:00",""
"4510646","9.628","0.001","19.315","0.001","14.872","0.001","90","","108.705","0.003","90","","2619.6","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","Poly[aquabis(mu-isophthalato-kO:kO':k2O'',O''')(mu-9-methyladenina-kN1:kN7) dicopper(II)‒water (1/1)]","","- C22 H19 Cu2 N5 O10 -","- C22 H17 Cu2 N5 O10 -","- C88 H68 Cu8 N20 O40 -","4","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.0748","0.0628","","","0.1621","0.1688","","","","","","1.041","","","","has coordinates","194590","2020-10-21","18:00:00",""
"4510647","9.236","0.0004","12.465","0.0007","23.213","0.0009","90.297","0.004","96.642","0.004","104.656","0.004","2566.5","0.2","100","2","100","","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly[diaqua(mu3-isophthalato-kO:kO':k2O'',O''')(mu3-isophthalato-kO:kO':kO'') (mu-9-methyladenine-kN1:kN7)dicopper(II)‒water (1/1.5)]","","- C22 H22 Cu2 N5 O11.5 -","- C22 H19 Cu2 N5 O11.5 -","- C88 H76 Cu8 N20 O46 -","4","2","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","1.5418","CuKα","","0.0939","0.0614","","","0.1566","0.1736","","","","","","0.951","","","","has coordinates","194590","2020-10-21","18:00:00",""
"4510648","13.305","0.006","6.499","0.003","11.757","0.005","90","","101.85","0.03","90","","995","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,4-diamino-5-(3,4-diamino-1,2,4-triazolium-5-yl)- 1,2,4-triazolium dichloride","","- C4 H10 Cl2 N10 -","- C4 H10 Cl2 N10 -","- C16 H40 Cl8 N40 -","4","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.1176","0.0778","","","0.1917","0.2126","","","","","","1.046","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510649","6.18","0.001","7.077","0.0014","7.501","0.003","71.746","0.018","82.23","0.03","84.99","0.02","308.34","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-bis(3,4-diamino-1,2,4-triazolium-5-yl)- ethene dichloride","","- C6 H12 Cl2 N10 -","- C6 H12 Cl2 N10 -","- C6 H12 Cl2 N10 -","1","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.0305","0.0259","","","0.0682","0.0711","","","","","","1.088","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510650","6.496","0.0012","7.198","0.002","8.464","0.002","99.4","0.02","105.66","0.03","116.19","0.02","323.16","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(E,E)-1,4-bis(3,4-diamino-1,2,4-triazolium-5-yl)- butadiene dichloride","","- C8 H14 Cl2 N10 -","- C8 H14 Cl2 N10 -","- C8 H14 Cl2 N10 -","1","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.0548","0.0491","","","0.1313","0.1337","","","","","","1.23","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510651","6.253","0.0003","7.102","0.0003","7.458","0.0005","71.638","0.004","82.203","0.004","84.028","0.003","310.77","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-bis(3,4-diamino-1,2,4-triazolium-5-yl)- ethene dichloride","","- C6 H12 Cl2 N10 -","- C6 H12 Cl2 N10 -","- C6 H12 Cl2 N10 -","1","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.0405","0.0296","","","0.0745","0.0798","","","","","","1.049","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510652","13.368","0.007","6.521","0.003","11.799","0.005","90","","102.41","0.02","90","","1004.5","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,4-diamino-5-(3,4-diamino-1,2,4-triazolium-5-yl)- 1,2,4-triazolium dichloride","","- C4 H10 Cl2 N10 -","- C4 H10 Cl2 N10 -","- C16 H40 Cl8 N40 -","4","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.1054","0.0744","","","0.1958","0.2187","","","","","","1.056","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510653","6.505","0.0005","7.299","0.0008","8.451","0.001","99.413","0.011","105.548","0.008","116.344","0.009","327.35","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E,E)-1,4-bis(3,4-diamino-1,2,4-triazolium-5-yl)- butadiene dichloride","","- C8 H14 Cl2 N10 -","- C8 H14 Cl2 N10 -","- C8 H14 Cl2 N10 -","1","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.0584","0.0409","","","0.0932","0.0984","","","","","","1.143","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510654","5.5208","0.0005","7.884","0.0007","20.7272","0.0019","95.613","0.011","95.529","0.011","97.858","0.011","883.89","0.14","170","2","170","2","","","","","","","","4","P -1","-P 1","2","[C0C13]Br","","","- C16 H30 Br N2 -","- C16 H31 Br N2 -","- C32 H62 Br2 N4 -","2","1","","Yang, Mei; Mallick, Bert; Mudring, Anja-Verena","On the Mesophase Formation of 1,3-Dialkylimidazolium Ionic Liquids","Crystal Growth & Design","2013","13","7","3068","","10.1021/cg4004593","","","0.71073","MoKα","","0.0422","0.0379","","","0.0906","0.0919","","","","","","1.022","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510655","17.125","0.002","8.2532","0.0007","13.0073","0.0014","90","","103.102","0.014","90","","1790.5","0.3","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[C2C11]Br","","","- C64 H124 Br4 N8 -","- C64 H124 Br4 N8 -","- C64 H124 Br4 N8 -","1","0.25","","Yang, Mei; Mallick, Bert; Mudring, Anja-Verena","On the Mesophase Formation of 1,3-Dialkylimidazolium Ionic Liquids","Crystal Growth & Design","2013","13","7","3068","","10.1021/cg4004593","","","0.71073","MoKα","","0.0919","0.0515","","","0.1","0.11","","","","","","0.855","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510656","11.029","0.001","10.759","0.002","26.357","0.004","90","","90","","90","","3127.5","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","BuG","","","- C9 H13 N5 O -","- C9 H13 N5 O -","- C108 H156 N60 O12 -","12","3","","Murata, Tsuyoshi; Saito, Gunzi; Nakamura, Kenji; Maesato, Mitsuhiko; Hiramatsu, Takaaki; Yoshida, Yukihiro","Exploration of Charge-Transfer Solids Utilizing Nucleobases: Nanoarchitectures by Hydrogen-Bonds in the Ionic Assemblies of Guanine and TCNQ Derivatives","Crystal Growth & Design","2013","13","7","2778","","10.1021/cg400059h","","","0.71073","MoKα","","0.1399","0.115","","","0.3072","0.333","","","","","","1.329","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510657","10.219","0.004","10.475","0.007","12.735","0.004","69.56","0.03","85.46","0.03","61.98","0.03","1121.7","1","290","2","290","2","","","","","","","","5","P -1","-P 1","2","(BuGH)(F2TCNQ)(MeOH)","","","- C22 H20 F2 N9 O2 -","- C22 H20 F2 N9 O2 -","- C44 H40 F4 N18 O4 -","2","1","","Murata, Tsuyoshi; Saito, Gunzi; Nakamura, Kenji; Maesato, Mitsuhiko; Hiramatsu, Takaaki; Yoshida, Yukihiro","Exploration of Charge-Transfer Solids Utilizing Nucleobases: Nanoarchitectures by Hydrogen-Bonds in the Ionic Assemblies of Guanine and TCNQ Derivatives","Crystal Growth & Design","2013","13","7","2778","","10.1021/cg400059h","","","0.71073","MoKα","","0.1834","0.0704","","","0.1624","0.2219","","","","","","0.998","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510658","21.8346","0.0015","6.8446","0.0003","29.771","0.003","90","","99.016","0.008","90","","4394.3","0.6","290","2","290","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(BuGH)(F4TCNQ)","","","- C21 H14 F4 N9 O -","- C21 H14 F4 N9 O -","- C168 H112 F32 N72 O8 -","8","1","","Murata, Tsuyoshi; Saito, Gunzi; Nakamura, Kenji; Maesato, Mitsuhiko; Hiramatsu, Takaaki; Yoshida, Yukihiro","Exploration of Charge-Transfer Solids Utilizing Nucleobases: Nanoarchitectures by Hydrogen-Bonds in the Ionic Assemblies of Guanine and TCNQ Derivatives","Crystal Growth & Design","2013","13","7","2778","","10.1021/cg400059h","","","1.54187","CuKα","","0.3859","0.0613","","","0.1806","0.1935","","","","","","1.05","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510659","8.81048","0.00029","8.81048","0.00029","7.34274","0.00025","90","","90","","90","","569.98","0.03","298","","298","","","","","","","","","4","P -4 2 c","P -4 2c","112","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-co(ii)","","- C10 H12 Co N4 -","- C10 H12 Co N4 -","- C20 H24 Co2 N8 -","2","0.25","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510660","13.46169","0.00038","13.46169","0.00038","13.46169","0.00038","90","","90","","90","","2439.49","0.12","298","","298","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-cu(ii)","","- C10 H12 Cu N4 -","- C10 Cu N4 -","- C80 Cu8 N32 -","8","0.0833333","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510661","9.132637","0.00007","9.132637","0.00007","23.09972","0.00024","90","","90","","120","","1668.51","0.03","298","","298","","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-cd(ii)","","- C10 H12 Cd N4 -","- C9 H12 Cd N4 -","- C54 H72 Cd6 N24 -","6","0.5","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510662","8.81181","0.00053","8.81181","0.00053","7.36675","0.00047","90","","90","","90","","572.01","0.06","298","","298","","","","","","","","","4","P -4 2 c","P -4 2c","112","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-zn(ii)","","- C10 H12 N4 Zn -","- C10 H12 N4 Zn -","- C20 H24 N8 Zn2 -","2","0.25","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510663","17.8701","0.0005","13.8872","0.0004","18.4391","0.0005","90","","92.262","0.002","90","","4572.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 N O28 U4 -","- C33 H27 N O28 U4 -","- C132 H108 N4 O112 U16 -","4","0.5","","Falaise, Clément; Volkringer, Christophe; Loiseau, Thierry","Mixed Formate-Dicarboxylate Coordination Polymers with Tetravalent Uranium: Occurrence of Tetranuclear {U4O4} and Hexanuclear {U6O4(OH)4} Motifs","Crystal Growth & Design","2013","13","7","3225","","10.1021/cg400643g","","","0.71073","MoKα","","0.0499","0.0292","","","0.0507","0.056","","","","","","1","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510664","10.6636","0.0003","13.3253","0.0003","20.0859","0.0005","90","","90","","90","","2854.12","0.12","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C13 H5 O17 U3 -","- C13 H5 O17 U3 -","- C52 H20 O68 U12 -","4","0.5","","Falaise, Clément; Volkringer, Christophe; Loiseau, Thierry","Mixed Formate-Dicarboxylate Coordination Polymers with Tetravalent Uranium: Occurrence of Tetranuclear {U4O4} and Hexanuclear {U6O4(OH)4} Motifs","Crystal Growth & Design","2013","13","7","3225","","10.1021/cg400643g","","","0.71073","MoKα","","0.0342","0.0251","","","0.0956","0.1118","","","","","","1.252","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510665","15.159","0.003","15.881","0.003","20.187","0.004","90","","101.589","0.003","90","","4760.7","1.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H67 N6 O2 S2 -","- C52 H61 N6 O2 S2 -","- C208 H244 N24 O8 S8 -","4","1","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.125","0.0976","","","0.2493","0.2731","","","","","","1.04","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510666","13.6426","0.0007","16.9738","0.0009","21.6609","0.0011","76.672","0.001","76.647","0.001","73.102","0.001","4597.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C105 H141 N15 O3 -","- C105 H133 N15 O3 -","- C210 H266 N30 O6 -","2","1","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.1084","0.075","","","0.2107","0.2373","","","","","","1.062","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510667","13.522","0.0013","17.126","0.0016","21.666","0.002","76.641","0.003","76.489","0.003","73.53","0.003","4604.7","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H70 N7 O -","- C54 H70 N7 O -","- C216 H280 N28 O4 -","4","2","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.0997","0.0617","","","0.1541","0.1817","","","","","","1.023","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510668","13.8582","0.0009","16.7514","0.0011","21.7956","0.0014","75.173","0.001","75.923","0.001","70.749","0.001","4547.3","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H66 N8 -","- C52 H66 N8 -","- C208 H264 N32 -","4","2","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.1162","0.0924","","","0.2153","0.2308","","","","","","1.079","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510669","12.3872","0.0015","15.5922","0.0019","16.3762","0.0019","97.037","0.002","93.522","0.002","109.287","0.002","2945.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H74 N13 O26.5 -","- C48 H74 N13 O26.5 -","- C96 H148 N26 O53 -","2","1","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.0892","0.0746","","","0.1836","0.1925","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510670","17.2","0.02","17.66","0.019","22.55","0.03","76.041","0.016","79.935","0.011","79.327","0.018","6471","13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H136 Cl12 N12 O66 -","- C97 H136 Cl12 N12 O66 -","- C194 H272 Cl24 N24 O132 -","2","1","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.135","0.0815","","","0.2219","0.2693","","","","","","1.068","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510671","5.5237","0.0001","6.709","0.0002","26.8532","0.0005","90","","90","","90","","995.14","0.04","100","2","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N3 O6 -","- C8 H11 N3 O6 -","- C32 H44 N12 O24 -","4","1","","Chimpri, Abita Shyorotra; Gryl, Marlena; Dos Santos, Leonardo H. R.; Krawczuk, Anna; Macchi, Piero","Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives:l-Histidinium Hydrogen Oxalate","Crystal Growth & Design","2013","13","7","2995","","10.1021/cg400411t","","","0.7107","MoKα","","0.036","0.034","","","","0.025","","","","","","1.845","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510672","6.68","0.0002","9.2116","0.0002","16.3534","0.0004","90","","90","","90","","1006.28","0.04","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N3 O6 -","- C8 H11 N3 O6 -","- C32 H44 N12 O24 -","4","1","","Chimpri, Abita Shyorotra; Gryl, Marlena; Dos Santos, Leonardo H. R.; Krawczuk, Anna; Macchi, Piero","Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives:l-Histidinium Hydrogen Oxalate","Crystal Growth & Design","2013","13","7","2995","","10.1021/cg400411t","","","0.71073","MoKα","","0.0515","0.0414","","","0.0939","0.0999","","","","","","1.07","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510673","8.5139","0.0006","10.2165","0.0007","11.0721","0.0008","64.208","0.001","71.563","0.001","80.752","0.001","822.32","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Er N O8 -","- C15 H15 Er N O8 -","- C30 H30 Er2 N2 O16 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0226","0.0207","","","0.0495","0.0507","","","","","","1.011","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510674","8.6514","0.0009","10.1531","0.0011","11.1703","0.0012","65.437","0.001","71.666","0.002","78.421","0.002","844.31","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O8 Tm -","- C15 H15 N O8 Tm -","- C30 H30 N2 O16 Tm2 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0318","0.0298","","","0.0805","0.0824","","","","","","1.088","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510675","10.0691","0.0006","10.9491","0.0007","13.2211","0.0008","99.755","0.001","110.245","0.001","107.793","0.001","1238.82","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 Er2 N4 O15 -","- C48 H28 Er2 N4 O15 -","- C48 H28 Er2 N4 O15 -","1","0.5","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0479","0.0366","","","0.0929","0.0976","","","","","","1.003","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510676","9.955","0.003","12.795","0.003","13.801","0.004","69.415","0.004","82.562","0.004","83.117","0.004","1626.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 N O10 Tm -","- C21 H27 N O10 Tm -","- C42 H54 N2 O20 Tm2 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.047","0.0422","","","0.1201","0.1252","","","","","","1.16","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510677","9.493","0.007","13.225","0.01","16.232","0.012","111.729","0.013","100.554","0.012","91.879","0.012","1850","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Er N2 O6 -","- C30 H26 Er N2 O6 -","- C60 H52 Er2 N4 O12 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.089","0.056","","","0.1171","0.126","","","","","","0.914","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510678","17.488","0.014","13.252","0.011","18.842","0.016","90","","111.044","0.013","90","","4075","6","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O7 Tm -","- C12 H8 O7 Tm -","- C96 H64 O56 Tm8 -","8","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0961","0.075","","","0.1808","0.189","","","","","","0.927","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510679","10.8639","0.0015","18.667","0.003","19.84","0.003","98.035","0.002","96.535","0.002","106.185","0.002","3776.4","1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 N2 O28 Tm4 -","- C54 H42 N2 O28 Tm4 -","- C108 H84 N4 O56 Tm8 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0893","0.0493","","","0.1006","0.1137","","","","","","0.86","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510680","11.24","0.0013","12.2825","0.0015","12.5391","0.0015","82.674","0.002","84.972","0.002","87.645","0.002","1709.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H77 N7 O17 Sm2 -","- C69 H77 N7 O17 Sm2 -","- C69 H77 N7 O17 Sm2 -","1","0.5","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0553","0.0392","","","0.0886","0.0965","","","","","","1.017","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510681","14.962","0.004","22.172","0.004","14.887","0.002","90","","117.59","0.03","90","","4377","1.9","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H78 Cu4 N8 Na8 O50.4 S4 -","- C68.6 H70 Cu4 N8 Na8 O50.4 S4 -","- C137.2 H140 Cu8 N16 Na16 O100.8 S8 -","2","0.5","","Allão Cassaro, Rafael A.; Ciattini, Samuele; Soriano, Stephane; Amorim, Hélio S.; Speziali, Nivaldo L.; Andruh, Marius; Vaz, Maria G. F.","An Angular Bis-Oxamate Tecton for the Construction of Heterobimetallic Coordination Polymers","Crystal Growth & Design","2013","13","7","2711","","10.1021/cg400547a","","","0.71073","MoKα","","0.1578","0.0727","","","0.1275","0.16","","","","","","1.018","","","","has coordinates,has disorder","289031","2024-01-11","08:36:03",""
"4510682","17.5187","0.0006","26.0111","0.0005","39.6741","0.0011","90","","90","","90","","18078.7","0.9","122","4","122","4","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C16 H8 Cu N2 Na2 O12.88 S -","- C16 H8 Cu N2 Na2.0155 O12.806 S -","- C512 H256 Cu32 N64 Na64.496 O409.792 S32 -","32","1","","Allão Cassaro, Rafael A.; Ciattini, Samuele; Soriano, Stephane; Amorim, Hélio S.; Speziali, Nivaldo L.; Andruh, Marius; Vaz, Maria G. F.","An Angular Bis-Oxamate Tecton for the Construction of Heterobimetallic Coordination Polymers","Crystal Growth & Design","2013","13","7","2711","","10.1021/cg400547a","","","0.71073","MoKα","","0.1077","0.0843","","","0.2253","0.2498","","","","","","1.06","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510683","8.6339","0.0007","9.7493","0.001","10.677","0.0009","90","","90","","90","","898.73","0.14","120","2","120","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0382","0.0338","","","0.0917","0.0952","","","","","","1.064","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510684","8.6363","0.0007","9.7488","0.001","10.6774","0.0009","90","","90","","90","","898.97","0.14","122.5","0.2","122.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0379","0.0334","","","0.0918","0.0954","","","","","","1.036","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510685","8.6391","0.0007","9.7496","0.0008","10.6781","0.0009","90","","90","","90","","899.39","0.13","125","2","125","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0393","0.0342","","","0.0942","0.0985","","","","","","1.085","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510686","8.6694","0.0008","9.7494","0.0011","10.6773","0.0011","90","","90","","90","","902.46","0.16","150","2","150","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0402","0.0343","","","0.0972","0.1022","","","","","","1.111","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510687","8.7025","0.0008","9.7517","0.0012","10.6812","0.0011","90","","90","","90","","906.45","0.17","175","2","175","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.043","0.0346","","","0.0982","0.1052","","","","","","1.098","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510688","8.7381","0.0008","9.7559","0.0008","10.6842","0.0009","90","","90","","90","","910.81","0.14","200","2","200","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0499","0.0376","","","0.1059","0.1159","","","","","","1.092","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510689","8.7429","0.0008","9.7551","0.0009","10.6814","0.001","90","","90","","90","","910.99","0.15","202.5","0.2","202.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.05","0.0366","","","0.104","0.1146","","","","","","1.078","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510690","8.7476","0.0008","9.7566","0.0011","10.67932","0.00011","90","","90","","90","","911.45","0.13","205","2","205","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0486","0.0349","","","0.0973","0.1083","","","","","","1.069","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510691","8.7516","0.0009","9.75","0.0012","10.6831","0.0011","90","","90","","90","","911.57","0.17","207.5","0.2","207.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0494","0.0348","","","0.0983","0.1088","","","","","","1.082","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510692","8.7564","0.0009","9.7605","0.0012","10.6773","0.0012","90","","90","","90","","912.56","0.18","210","2","210","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0521","0.0358","","","0.1004","0.1128","","","","","","1.082","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510693","8.761","0.0009","9.7586","0.0012","10.678","0.0011","90","","90","","90","","912.92","0.17","212.5","0.2","212.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0519","0.0359","","","0.1","0.1108","","","","","","1.079","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510694","8.766","0.0009","9.758","0.0012","10.6754","0.0011","90","","90","","90","","913.16","0.17","215","2","215","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0541","0.0364","","","0.1021","0.114","","","","","","1.078","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510695","8.7689","0.0009","9.7602","0.001","10.674","0.001","90","","90","","90","","913.55","0.16","217.5","0.2","217.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0552","0.0347","","","0.0963","0.1056","","","","","","0.949","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510696","8.8777","0.0009","9.7614","0.0012","10.684","0.0012","90","","90","","90","","925.86","0.18","220","2","220","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0612","0.0369","","","0.1075","0.1241","","","","","","1.105","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510697","8.8708","0.001","9.754","0.001","5.3493","0.001","90","","90","","90","","462.85","0.11","220","2","220","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0337","0.0327","","","0.0833","0.0844","","","","","","1.064","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510698","8.8779","0.0008","9.7606","0.0011","5.3422","0.0005","90","","90","","90","","462.92","0.08","222.5","0.2","222.5","0.2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0342","0.0332","","","0.0944","0.0957","","","","","","1.01","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510699","8.783","0.0009","9.7595","0.0012","5.3416","0.0006","90","","90","","90","","457.87","0.09","225","2","225","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0339","0.0326","","","0.0866","0.0881","","","","","","1.079","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510700","8.7856","0.0009","9.7596","0.0013","5.3418","0.0006","90","","90","","90","","458.03","0.09","227.5","0.2","227.5","0.2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0345","0.0336","","","0.0876","0.0883","","","","","","1.083","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510701","8.7889","0.0009","9.7596","0.0012","5.3418","0.0006","90","","90","","90","","458.2","0.09","230","2","230","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0349","0.0339","","","0.0904","0.0913","","","","","","1.072","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510702","8.8206","0.0009","9.7598","0.0013","5.344","0.0006","90","","90","","90","","460.05","0.09","253","2","253","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0332","0.0324","","","0.0882","0.0892","","","","","","1.084","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510703","8.874","0.0009","9.757","0.0013","5.3488","0.0006","90","","90","","90","","463.12","0.09","295","2","295","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0366","0.0361","","","0.1011","0.1017","","","","","","1.065","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510704","6.0197","0.0011","12.929","0.003","20.964","0.004","90","","90","","90","","1631.6","0.6","296","2","296","2","1800000","","","","","","","5","P c 21 b","P -2bc -2c","29","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C48 H104 Cl8 N16 O32 -","8","2","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.1466","0.0907","","","0.1682","0.1946","","","","","","1.04","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510705","8.771","0.003","9.673","0.003","5.3402","0.0012","90","","90","","90","","453.1","0.2","296","2","296","2","200000","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H12 Cl N2 O4 -","- C12 H24 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0966","0.0727","","","0.1694","0.1834","","","","","","1.058","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510706","8.496","0.004","9.4293","0.0016","10.6475","0.0013","90","","90","","90","","853","0.4","296","2","296","2","1000000","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.1094","0.1005","","","0.2092","0.2142","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510707","10.1561","0.0012","12.9047","0.0016","11.6393","0.0014","90","","106.807","0.005","90","","1460.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Ag N4 O4 -","- C12 H15 Ag N4 O4 -","- C48 H60 Ag4 N16 O16 -","4","1","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0356","0.0269","","","0.0497","0.0527","","","","","","1.042","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510708","10.5635","0.0005","10.6997","0.0005","15.365","0.0008","89.306","0.002","86.036","0.002","64.02","0.002","1557.1","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Ag F3 N3 O2.5 -","- C14 H14 Ag F3 N3 O2.5 -","- C56 H56 Ag4 F12 N12 O10 -","4","2","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.033","0.0265","","","0.0603","0.0644","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510709","11.2116","0.0003","14.9466","0.0003","21.4462","0.0004","100.775","0.002","94.367","0.002","109.15","0.002","3298.33","0.14","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 Ag F3 N3 O3.5 S -","- C13 H14 Ag F3 N3 O3.5 S -","- C104 H112 Ag8 F24 N24 O28 S8 -","8","4","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0552","0.0367","","","0.0902","0.0938","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510710","20.4755","0.0009","8.2373","0.0003","18.8511","0.0009","90","","90","","90","","3179.5","0.2","150","2","150","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C12 H16 Ag B F4 N3 O1.5 -","- C12 H13 Ag B F4 N3 O1.5 -","- C96 H104 Ag8 B8 F32 N24 O12 -","8","1","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0773","0.0644","","","0.1614","0.1695","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510711","10.25","0.0008","15.8428","0.0013","20.4499","0.0019","90","","95.236","0.003","90","","3307","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Ag3 Cl3 N6 O13 -","- C24 H28 Ag3 Cl3 N6 O13 -","- C96 H112 Ag12 Cl12 N24 O52 -","4","0.5","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0614","0.0556","","","0.1904","0.195","","","","","","1.177","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510712","9.351","0.0003","10.9234","0.0003","14.8553","0.0005","90","","90","","90","","1517.39","0.08","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Ag F6 N3 P -","- C12 H13 Ag F6 N3 P -","- C48 H52 Ag4 F24 N12 P4 -","4","1","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0382","0.034","","","0.0971","0.1088","","","","","","1.104","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510713","10.0974","0.0002","10.2305","0.0002","11.0096","0.0002","64.965","0.001","78.8","0.001","78.323","0.001","1001.55","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{[Mn2(tpbn)(adc)2(H2O)2].2CH3OH}n","","","- C38 H44 Mn2 N6 O12 -","- C38 H44 Mn2 N6 O12 -","- C38 H44 Mn2 N6 O12 -","1","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","MoKα","","0.0314","0.0301","","","0.0867","0.0879","","","","","","1.004","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510714","25.8848","0.0007","12.8247","0.0003","20.143","0.0005","90","","106.243","0.001","90","","6419.9","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[Mn2(1,2-tppn)2(adc)](ClO4)2}.2CH3CN","","","- C62 H66 Cl2 Mn2 N14 O12 -","- C62 H66 Cl2 Mn2 N14 O12 -","- C248 H264 Cl8 Mn8 N56 O48 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","MoKα","","0.0739","0.0517","","","0.1619","0.1819","","","","","","1.04","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510715","25.435","0.003","12.504","0.0013","19.867","0.002","90","","106.5","0.004","90","","6058.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mn2(tpen)2(adc)](ClO4)2.2CH3CN","","","- C60 H62 Cl2 Mn2 N14 O12 -","- C60 H62 Cl2 Mn2 N14 O12 -","- C240 H248 Cl8 Mn8 N56 O48 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","MoKα","","0.0418","0.0304","","","0.0933","0.1216","","","","","","1.138","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510716","14.5375","0.0009","8.1374","0.0004","19.3409","0.0009","90","","107.31","0.004","90","","2184.4","0.2","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","{[Mn2(tppen)(H2O)4(adc)](adc).4H2O}n","","","- C37 H50 Mn2 N6 O16 -","- C37 H50 Mn2 N6 O16 -","- C74 H100 Mn4 N12 O32 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","MoKα","","0.0853","0.0462","","","0.092","0.1082","","","","","","0.966","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510717","9.462","0.003","17.3","0.004","26.001","0.007","90","","94.851","0.006","90","","4241","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn2(tppn)(H2O)6](adc)2.3H2O","","","- C35 H48 Mn2 N6 O17 -","- C35 H45 Mn2 N6 O17 -","- C140 H180 Mn8 N24 O68 -","4","1","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","","","0.0864","0.0556","","","0.147","0.1671","","","","","","1.08","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510718","18.8885","0.0023","6.40793","0.00084","16.5076","0.0019","90","","96.8851","0.0061","90","","1983.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium guaiacolsulfonate","potassium 4-hydroxy-3-methoxybenzenesulfonate","","- C7 H7 K O5 S -","- C7 H7 K O5 S -","- C56 H56 K8 O40 S8 -","8","1","","Mahé, Nathalie; Nicolaï, Béatrice; Barrio, Maria; Perrin, Marc-Antoine; Do, Bernard; Tamarit, Josep-Lluis; Céolin, René; Rietveld, Ivo B.","Solid-State Properties and Dehydration Behavior of the Active Pharmaceutical Ingredient Potassium Guaiacol-4-sulfonate","Crystal Growth & Design","2013","13","7","3028","","10.1021/cg400427v","","","1.54175","CuKα","","0.01303","0.05654","","","0.10104","0.02313","","","","","","1.776","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510719","19.436","0.0016","6.3452","0.0005","16.264","0.0014","90","","97.156","0.001","90","","1990.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium guaiacolsulfonate hemihydrate","potassium 4-hydroxy-3-methoxybenzenesulfonate hemihydrate","","- C7 H8 K O5.5 S -","- C7 H8 K O5.5 S -","- C56 H64 K8 O44 S8 -","8","1","","Mahé, Nathalie; Nicolaï, Béatrice; Barrio, Maria; Perrin, Marc-Antoine; Do, Bernard; Tamarit, Josep-Lluis; Céolin, René; Rietveld, Ivo B.","Solid-State Properties and Dehydration Behavior of the Active Pharmaceutical Ingredient Potassium Guaiacol-4-sulfonate","Crystal Growth & Design","2013","13","7","3028","","10.1021/cg400427v","","","0.71073","MoKα","","0.027","0.0262","","","0.0691","0.0698","","","","","","1.076","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4510720","13.142","0.005","6.888","0.005","13.799","0.005","90","0.005","109.193","0.005","90","0.005","1179.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 Cl2 N5 Zn -","- C8 H11 Cl2 N5 Zn -","- C32 H44 Cl8 N20 Zn4 -","4","1","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.0407","0.0295","","","0.0583","0.0613","","","","","","1.068","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510721","7.626","0.005","9.537","0.005","11.045","0.005","85.705","0.005","87.256","0.005","80.423","0.005","789.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N5 O5 Zn -","- C12 H19 N5 O5 Zn -","- C24 H38 N10 O10 Zn2 -","2","1","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.0664","0.0557","","","0.1481","0.2014","","","","","","1.166","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510722","7.219","0.005","8.659","0.005","22.367","0.005","90","0.005","90.68","0.005","90","0.005","1398","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cd I2 N5 -","- C8 H11 Cd I2 N5 -","- C32 H44 Cd4 I8 N20 -","4","1","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.0242","0.0225","","","0.0558","0.0569","","","","","","1.087","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510723","7.288","0.005","13.934","0.005","14.172","0.005","70.316","0.005","89.974","0.005","89.992","0.005","1355.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cl6 Hg3 N10 -","- C16 H22 Cl6 Hg3 N10 -","- C32 H44 Cl12 Hg6 N20 -","2","1","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.0967","0.0871","","","0.225","0.2466","","","","","","1.022","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510724","19.289","0.005","8.147","0.005","23.911","0.005","90","","106.538","0.005","90","","3602","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 N20 O -","- C32 H46 N20 O -","- C128 H184 N80 O4 -","4","0.5","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.108","0.0633","","","0.1526","0.1967","","","","","","1.101","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510725","16.317","0.007","13.02","0.006","13.591","0.006","90","","100.303","0.004","90","","2841","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 N4 O10 Zn -","- C28 H36 N4 O10 Zn -","- C112 H144 N16 O40 Zn4 -","4","0.5","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.0429","0.04","","","0.1271","0.1299","","","","","","0.957","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510726","21.639","0.002","9.2791","0.0011","17.132","0.002","90","","111.495","0.002","90","","3200.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 O8 Zn2 -","- C34 H26 N4 O8 Zn2 -","- C136 H104 N16 O32 Zn8 -","4","0.5","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.0765","0.0624","","","0.1967","0.2291","","","","","","1.113","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510727","9.0531","0.0019","19.218","0.004","16.342","0.003","90","","92.804","0.004","90","","2839.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H58 N8 O14 Zn2 -","- C60 H58 N8 O14 Zn2 -","- C120 H116 N16 O28 Zn4 -","2","0.5","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.0993","0.0547","","","0.156","0.2009","","","","","","1.057","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510728","22.953","0.005","28.26","0.005","16.064","0.003","90","","125.983","0.005","90","","8432","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H37 N5 O10 Zn2 -","- C40 H37 N5 O10 Zn2 -","- C320 H296 N40 O80 Zn16 -","8","1","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.1176","0.0635","","","0.1641","0.198","","","","","","0.975","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510729","20.504","0.004","9.5776","0.0017","19.444","0.004","90","","103.735","0.003","90","","3709.2","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N3 O10 Zn2 -","- C29 H24 N3 O10 Zn2 -","- C116 H96 N12 O40 Zn8 -","4","1","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.1043","0.0716","","","0.2058","0.2325","","","","","","1","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510730","19.67","0.03","9.54","0.012","18.23","0.02","90","","101.71","0.03","90","","3350","8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 N4 O12 Zn2 -","- C36 H25 N4 O12 Zn2 -","- C144 H100 N16 O48 Zn8 -","4","1","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.1285","0.0724","","","0.1573","0.1841","","","","","","1.117","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510731","7.487","","11.041","","13.775","","90","","92.9","","90","","1137.24","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","El Hassan, Nouha; Ikni, Aziza; Gillet, Jean-Michel; Spasojevic-de Biré, Anne; Ghermani, Nour Eddine","Electron Properties of Carbamazepine Drug in Form III","Crystal Growth & Design","2013","13","7","2887","","10.1021/cg4002994","","","0.711","X","","","0","","","0","","","","","","","0","","","","has coordinates","288073","2023-12-06","14:03:00",""
"4510732","7.4874","0.0002","11.0406","0.0003","13.7754","0.0004","90","","92.939","0.001","90","","1137.25","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","El Hassan, Nouha; Ikni, Aziza; Gillet, Jean-Michel; Spasojevic-de Biré, Anne; Ghermani, Nour Eddine","Electron Properties of Carbamazepine Drug in Form III","Crystal Growth & Design","2013","13","7","2887","","10.1021/cg4002994","","","0.71073","MoKα","","0.0364","0.0306","","","0.0947","0.0975","","","","","","0.963","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510733","7.4874","0.0002","11.0406","0.0003","13.7754","0.0004","90","","92.939","0.001","90","","1137.25","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","El Hassan, Nouha; Ikni, Aziza; Gillet, Jean-Michel; Spasojevic-de Biré, Anne; Ghermani, Nour Eddine","Electron Properties of Carbamazepine Drug in Form III","Crystal Growth & Design","2013","13","7","2887","","10.1021/cg4002994","","","0.71073","MoKα","","0.0114","0.0114","","","0.0108","0.0108","","","","","","0.589","","","","has coordinates","288073","2023-12-06","14:03:14",""
"4510734","13.0333","0.0008","13.5524","0.0007","27.8507","0.0018","92.526","0.004","95.448","0.004","99.997","0.004","4813.6","0.5","100","2","173","2","","","","","","","","5","P -1","-P 1","2","8","","","- C106 H134 Co N6 O16 -","- C106 H134 Co N6 O16 -","- C212 H268 Co2 N12 O32 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Molecular Paneling in the Rational Design of Calixarene Coordination Polymers","Crystal Growth & Design","2013","13","7","2703","","10.1021/cg400125x","","","0.71073","MoKα","","0.1203","0.0617","","","0.142","0.1603","","","","","","0.921","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510735","11.298","0.002","15.849","0.003","27.416","0.005","89.235","0.003","80.416","0.003","80.184","0.003","4769.2","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","7","","","- C95 H109 Co N3 O13 -","- C95 H109 Co N3 O13 -","- C190 H218 Co2 N6 O26 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Molecular Paneling in the Rational Design of Calixarene Coordination Polymers","Crystal Growth & Design","2013","13","7","2703","","10.1021/cg400125x","","","0.7749","MoKα","","0.1055","0.0848","","","0.2226","0.2393","","","","","","1.226","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510736","12.9816","0.0018","13.578","0.002","27.769","0.004","93.021","0.004","95.356","0.004","99.979","0.004","4787.7","1.2","100","2","173","2","","","","","","","","5","P -1","-P 1","2","9","","","- C106 H132 Co N6 O16 -","- C106 H132 Co N6 O16 -","- C212 H264 Co2 N12 O32 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Molecular Paneling in the Rational Design of Calixarene Coordination Polymers","Crystal Growth & Design","2013","13","7","2703","","10.1021/cg400125x","","","0.71073","MoKα","","0.1655","0.073","","","0.1599","0.2011","","","","","","0.984","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510737","21.15","0.004","18.254","0.003","15.735","0.003","90","","109.559","0.003","90","","5724.3","1.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C32.6 H30.55 N2.78 O16.81 S4 -","- C32.595 H30.572 N2.785 O16.81 S4 -","- C130.38 H122.288 N11.14 O67.24 S16 -","4","0.5","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Isolation and Stabilization of a Pheromone in Crystalline Molecular Capsules","Crystal Growth & Design","2013","13","7","3197","","10.1021/cg4005906","","","0.71073","MoKα","","0.1159","0.0924","","","0.2667","0.2839","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510738","11.0629","0.0006","15.9543","0.0008","18.2692","0.0011","90","","90","","90","","3224.5","0.3","100","2","100","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C31 H26 Br N O6 Zn -","- C31 H26 Br N O6 Zn -","- C62 H52 Br2 N2 O12 Zn2 -","2","0.25","","Weston, Mitchell H.; Delaquil, Amelia A.; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Tuning the Hydrophobicity of Zinc Dipyridyl Paddlewheel Metal‒Organic Frameworks for Selective Sorption","Crystal Growth & Design","2013","13","7","2938","","10.1021/cg400342m","","","0.71073","MoKα","","0.0961","0.0866","","","0.2327","0.2405","","","","","","1.064","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510739","10.8826","0.0016","16.0836","0.0019","18.292","0.003","90","","90","","90","","3201.7","0.8","100","2","100","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C54 H81 Br N10 O15 Zn -","- C27 H18 Br N O6 Zn -","- C54 H36 Br2 N2 O12 Zn2 -","2","0.25","","Weston, Mitchell H.; Delaquil, Amelia A.; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Tuning the Hydrophobicity of Zinc Dipyridyl Paddlewheel Metal‒Organic Frameworks for Selective Sorption","Crystal Growth & Design","2013","13","7","2938","","10.1021/cg400342m","","","1.54178","CuKα","","0.0955","0.0643","","","0.1666","0.1782","","","","","","0.867","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510740","7.3516","0.0011","16.346","0.002","18.801","0.003","90","","90","","90","","2259.3","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N5 O3 -","- C24 H29 N5 O3 -","- C96 H116 N20 O12 -","4","1","","Wang, Jian-Rong; Wang, Xiaojuan; Lu, Liye; Mei, Xuefeng","Highly Crystalline Forms of Valsartan with Superior Physicochemical Stability","Crystal Growth & Design","2013","13","7","3261","","10.1021/cg400762w","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510741","10.2475","0.0003","12.7244","0.0003","19.7838","0.0005","90","","90","","90","","2579.67","0.12","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N5 O4 -","- C26 H35 N5 O4 -","- C104 H140 N20 O16 -","4","1","","Wang, Jian-Rong; Wang, Xiaojuan; Lu, Liye; Mei, Xuefeng","Highly Crystalline Forms of Valsartan with Superior Physicochemical Stability","Crystal Growth & Design","2013","13","7","3261","","10.1021/cg400762w","","","1.54178","CuKα","","0.0274","0.027","","","0.0701","0.0704","","","","","","1.025","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510742","28.725","0.005","19.529","0.005","32.405","0.005","90","0.005","113.411","0.005","90","0.005","16682","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C83 H83 Co9 N50 O29 S0 W6 -","- C84 H83 Co9 N50 O31.94 W6 -","- C336 H332 Co36 N200 O127.76 W24 -","4","0.5","","Chorazy, Szymon; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Supramolecular Chains and Coordination Nanowires Constructed of High-Spin CoII9WV6Clusters and 4,4′-bpdo Linkers","Crystal Growth & Design","2013","13","7","3036","","10.1021/cg400448x","","","0.71069","MoKα","","0.1134","0.0638","","","0.1339","0.1508","","","","","","1.021","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510743","26.0758","0.0016","26.0758","0.0016","19.354","0.0011","90","","90","","90","","13159.7","1.4","90","2","90","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C50 H28 Co2.25 N18 O15.5 W1.5 -","- C50 H28 Co2.25 N18 O15.5 W1.5 -","- C400 H224 Co18 N144 O124 W12 -","8","0.5","","Chorazy, Szymon; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Supramolecular Chains and Coordination Nanowires Constructed of High-Spin CoII9WV6Clusters and 4,4′-bpdo Linkers","Crystal Growth & Design","2013","13","7","3036","","10.1021/cg400448x","","","0.71075","MoKα","","0.0505","0.0402","","","0.0998","0.1047","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510744","26.516","0.0003","26.516","0.0003","19.445","0.0003","90","","90","","90","","13671.7","0.3","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C44 H24 Co2.25 N18 Na0 O8 W1.5 -","- C44 H30 Co2.25 N18 O10.23 W1.5 -","- C352 H240 Co18 N144 O81.84 W12 -","8","0.5","","Chorazy, Szymon; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Supramolecular Chains and Coordination Nanowires Constructed of High-Spin CoII9WV6Clusters and 4,4′-bpdo Linkers","Crystal Growth & Design","2013","13","7","3036","","10.1021/cg400448x","","","0.71073","MoKα","","0.0742","0.0511","","","0.1209","0.1379","","","","","","1.146","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510745","8.244","0.0006","11.7351","0.0011","8.1982","0.0008","90","","90","","90","","793.13","0.12","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Cesium Lead Bromide","","","- Br3 Cs Pb -","- Br3 Cs Pb -","- Br12 Cs4 Pb4 -","4","0.5","","Stoumpos, Constantinos C.; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Sebastian, Maria; Im, Jino; Chasapis, Thomas C.; Wibowo, Arief C.; Chung, Duck Young; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of the Perovskite Semiconductor CsPbBr3: A New Material for High-Energy Radiation Detection","Crystal Growth & Design","2013","13","7","2722","","10.1021/cg400645t","","","0.71073","MoKα","","0.0458","0.0376","","","0.0891","0.0922","","","","","","1.276","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510746","15.182","0.003","9.7285","0.0019","19.24","0.004","90","","100.61","0.03","90","","2793.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Co2 N3 O9 -","- C26 H23 Co2 N3 O9 -","- C104 H92 Co8 N12 O36 -","4","1","","Zhao, Jiong-Peng; Song, Wei-Chao; Zhao, Ran; Yang, Qian; Hu, Bo-Wen; Bu, Xian-He","Tuning the Subunits and Topologies in Cluster-Based Cobalt‒Organic Frameworks by Varying the Reaction Conditions","Crystal Growth & Design","2013","13","7","2858","","10.1021/cg4002626","","","0.71073","MoKα","","0.1166","0.0771","","","0.1261","0.1388","","","","","","1.157","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510747","10.975","0.002","12.139","0.002","13.728","0.003","67.25","0.03","80.94","0.03","70.26","0.03","1586.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Co5 N8 O22 -","- C48 H38 Co5 N8 O22 -","- C48 H38 Co5 N8 O22 -","1","0.5","","Zhao, Jiong-Peng; Song, Wei-Chao; Zhao, Ran; Yang, Qian; Hu, Bo-Wen; Bu, Xian-He","Tuning the Subunits and Topologies in Cluster-Based Cobalt‒Organic Frameworks by Varying the Reaction Conditions","Crystal Growth & Design","2013","13","7","2858","","10.1021/cg4002626","","","0.71073","MoKα","","0.2032","0.1124","","","0.24","0.2937","","","","","","1.041","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510748","22.575","0.012","22.575","0.012","11.483","0.002","90","","90","","120","","5068","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H7 Co N O4 -","- C9 H7 Co N O4 -","- C162 H126 Co18 N18 O72 -","18","1","","Zhao, Jiong-Peng; Song, Wei-Chao; Zhao, Ran; Yang, Qian; Hu, Bo-Wen; Bu, Xian-He","Tuning the Subunits and Topologies in Cluster-Based Cobalt‒Organic Frameworks by Varying the Reaction Conditions","Crystal Growth & Design","2013","13","7","2858","","10.1021/cg4002626","","","0.71073","MoKα","","0.1394","0.0995","","","0.219","0.243","","","","","","1.147","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510749","9.7041","0.0004","11.4915","0.0005","12.1747","0.0005","71.122","0.001","69.098","0.001","74.057","0.001","1180.45","0.09","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 N6 O22 Zn3 -","- C44 H34 N6 O22 Zn3 -","- C44 H34 N6 O22 Zn3 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.0341","0.028","","","0.0681","0.0716","","","","","","1.038","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510750","9.6467","0.0005","11.4738","0.0007","12.0802","0.0007","71.245","0.001","70.156","0.001","74.92","0.001","1173.67","0.12","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Co3 N6 O22 -","- C44 H34 Co3 N6 O22 -","- C44 H34 Co3 N6 O22 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.0635","0.0462","","","0.1081","0.1189","","","","","","1.04","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510751","9.5962","0.0012","15.1199","0.0017","20.649","0.002","77.39","0.002","83.275","0.002","86.432","0.002","2901.6","0.6","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H92 Co6 N16 O46 -","- C120 H72 Co6 N16 O46 -","- C120 H72 Co6 N16 O46 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.1414","0.074","","","0.183","0.2204","","","","","","1.038","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510752","9.9279","0.0004","15.4623","0.0005","20.6099","0.0007","77.156","0.001","83.149","0.001","87.838","0.001","3062.4","0.19","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H90 Cd6 N16 O45 -","- C120 H72 Cd6 N16 O45 -","- C120 H72 Cd6 N16 O45 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.0574","0.0415","","","0.1066","0.1166","","","","","","1.044","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510753","9.7258","0.0008","12.0425","0.0008","14.3006","0.0013","68.081","0.001","76.756","0.001","69.911","0.001","1449.5","0.2","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H36 Cu3 N8 O24 -","- C60 H36 Cu3 N8 O24 -","- C60 H36 Cu3 N8 O24 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.1418","0.0863","","","0.1649","0.2102","","","","","","1.051","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510754","10.1438","0.0007","11.2973","0.0009","14.1941","0.001","72.882","0.001","88.101","0.001","81.084","0.001","1535.63","0.19","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 N8 Ni3 O28 -","- C60 H56 N8 Ni3 O28 -","- C60 H56 N8 Ni3 O28 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.0705","0.0449","","","0.0963","0.1083","","","","","","1.063","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510755","4.6756","0.0004","17.6317","0.0015","19.4992","0.0015","90","","94.523","0.008","90","","1602.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Febuxostat","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.092","0.0525","","","0.1027","0.1173","","","","","","0.974","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510756","6.9957","0.0005","11.6356","0.0011","13.7925","0.0011","102.644","0.007","91.221","0.006","90.41","0.007","1095.14","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Febuxostat-Nicotinamide","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid-pyridine-3-carboxamide : Nicotinamide (1:1)","","- C22 H22 N4 O4 S -","- C22 H22 N4 O4 S -","- C44 H44 N8 O8 S2 -","2","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.0741","0.0519","","","0.1213","0.1359","","","","","","1.025","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510757","8.4227","0.0009","11.1544","0.0012","12.9327","0.0014","79.689","0.002","81.524","0.002","68.22","0.002","1105.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Febuxostat-PABA","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid : para-aminobenzoic acid (1:1)","","- C23 H23 N3 O5 S -","- C22.987 H23 N3 O5 S -","- C45.974 H46 N6 O10 S2 -","2","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.0432","0.0406","","","0.1049","0.1074","","","","","","1.038","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510758","10.8516","0.0004","23.667","0.0009","7.4362","0.0004","90","","95.29","0.004","90","","1901.67","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Febuxostat-Acetamide","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid : acetaamide (1:1)","","- C18 H21 N3 O4 S -","- C18 H21 N3 O4 S -","- C72 H84 N12 O16 S4 -","4","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.0488","0.04","","","0.0974","0.1025","","","","","","1.046","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510759","7.6525","0.0013","10.9684","0.0018","12.261","0.002","82.627","0.003","71.822","0.003","69.866","0.003","917.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Febuxostat-urea","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid : urea (1:1)","","- C17 H20 N4 O4 S -","- C17 H20 N4 O4 S -","- C34 H40 N8 O8 S2 -","2","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.0568","0.0496","","","0.1281","0.1333","","","","","","1.069","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510760","15.9717","0.0015","7.6328","0.0007","23.774","0.002","90","","96.924","0.002","90","","2877.1","0.4","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C26 H14 Cd F6 N O4 S -","- C26 H14 Cd F6 N O4 S -","- C104 H56 Cd4 F24 N4 O16 S4 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0345","0.0303","","","0.0934","0.097","","","","","","1.011","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510761","15.4994","0.0014","7.5708","0.0007","23.427","0.002","90","","96.993","0.002","90","","2728.5","0.4","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C26 H14 F6 N O4 S Zn -","- C26 H14 F6 N O4 S Zn -","- C104 H56 F24 N4 O16 S4 Zn4 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0487","0.0346","","","0.0845","0.0887","","","","","","1.099","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510762","15.4985","0.0011","7.5058","0.0005","23.5458","0.0017","90","","96.272","0.001","90","","2722.7","0.3","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C26 H14 Co F6 N O4 S -","- C26 H14 Co F6 N O4 S -","- C104 H56 Co4 F24 N4 O16 S4 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0419","0.0386","","","0.1323","0.1358","","","","","","1.036","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510763","12.9879","0.0016","6.2776","0.0008","19.104","0.0017","90","","114.325","0.006","90","","1419.3","0.3","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H22 N2 O4 S2 Zn -","- C26 H22 N2 O4 S2 Zn -","- C52 H44 N4 O8 S4 Zn2 -","2","0.5","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0411","0.0369","","","0.1123","0.1147","","","","","","1.042","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510764","13.7472","0.0012","21.8339","0.0019","15.9121","0.0014","90","","115.59","","90","","4307.6","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 N2 O12 S4 Zn2 -","- C46 H28 N2 O12 S4 Zn2 -","- C184 H112 N8 O48 S16 Zn8 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0952","0.0616","","","0.1789","0.2193","","","","","","1.143","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510765","14.3794","0.0012","23.893","0.002","15.9117","0.0011","90","","117.102","0.006","90","","4866.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 N2 O10 S2 Zn2 -","- C46 H28 N2 O10 S2 Zn2 -","- C184 H112 N8 O40 S8 Zn8 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0826","0.0576","","","0.1647","0.1747","","","","","","1.078","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510766","8.472","0.003","16.208","0.007","19.816","0.008","90","","90","","90","","2721","1.9","110","2","110","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H8 N1.2 O21.8 P6 Zn5 -","- C12 H8 N1.2 O21.8 P6 Zn5 -","- C48 H32 N4.8 O87.2 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","","","0.71073","MoKα","","0.0506","0.0358","","","0.1031","0.1079","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510767","8.43","0.005","16.155","0.012","19.84","0.011","90","","90","","90","","2702","3","110","2","110","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12.5 H6 N0.5 O22 P6 Zn5 -","- C12.5 H6 N0.5 O22 P6 Zn5 -","- C50 H24 N2 O88 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","","","0.71073","MoKα","","0.1105","0.0611","","","0.157","0.1869","","","","","","1.105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510768","8.44253","0.00017","16.285","0.0004","19.8132","0.0004","90","","90","","90","","2724.05","0.1","333","","333","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H6 N O22 P6 Zn5 -","- C12 H6 N O22 P6 Zn5 -","- C48 H24 N4 O88 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","powder diffraction","x-ray","0.6124","synchrotron","","0.0342","","","","","","","","1.78","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510769","8.29575","0.00018","16.4162","0.0004","19.7053","0.0005","90","","90","","90","","2683.56","0.11","423","","423","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H10 N O18 P6 Zn5 -","- C12 H10 N O18 P6 Zn5 -","- C48 H40 N4 O72 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","powder diffraction","x-ray","0.6124","synchrotron","","4.69","","","","","","","","2.25","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510770","8.472","0.003","16.208","0.007","19.816","0.008","90","","90","","90","","2721","1.9","110","2","110","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H14 N O22 P6 Zn5 -","- C12 H14 N O22 P6 Zn5 -","- C48 H56 N4 O88 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","","","0.71073","MoKα","","0.0503","0.0337","","","0.0829","0.0871","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510771","8.594","0.002","12.644","0.003","39.717","0.01","90","","90","","90","","4315.7","1.8","120.15","","120.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel trihydrate","","- C43 H59 N O17 -","- C43 H59 N O17 -","- C172 H236 N4 O68 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","","x-ray","0.6889","Synchrotron","","0.09","0.0635","","","0.1331","0.1414","","","","","","1.034","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510772","10.287","0.002","32.938","0.008","12.78","0.003","90","","90.213","0.003","90","","4330.3","1.7","150.15","","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Docetaxel dihydrate","","- C44 H58.5 N O16 -","- C44 H58.5 N O16 -","- C176 H234 N4 O64 -","4","2","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","","x-ray","0.6889","Synchrotron","","0.139","0.0642","","","0.1341","0.1558","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510773","12.608","0.003","8.6626","0.0019","20.353","0.004","90","","98.942","0.002","90","","2195.9","0.8","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Docetaxel hydrate ethanol solvate","","- C45 H60 N O16 -","- C45 H60 N O16 -","- C90 H120 N2 O32 -","2","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","","x-ray","0.6889","Synchrotron","","0.0531","0.0499","","","0.1396","0.1428","","","","","","1.041","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510774","8.6619","0.0008","12.7429","0.0009","39.838","0.004","90","","90","","90","","4397.2","0.7","","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel trihydrate","","- C43 H59 N O17 -","- C41.882 H38.822 N O17 -","- C167.528 H155.288 N4 O68 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","","1.823","","","","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510775","8.625","0.002","12.91","0.002","39.764","0.011","90","","90","","90","","4427.7","1.7","","","343.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel monohydrate","","- C43 H55 N O15 -","- C43 H52 N O15 -","- C172 H208 N4 O60 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","","1.166","","","","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510776","8.6078","0.0008","12.9231","0.0016","38.421","0.005","90","","90","","90","","4273.9","0.9","","","383.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel monohydrate","","- C43 H53 N O14 -","- C43 H52 N O14 -","- C172 H208 N4 O56 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","","1.169","","","","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510778","10.8562","0.0002","8.0322","0.0001","14.1325","0.0003","90","","102.146","0.0008","90","","1204.76","0.04","153","","153","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 Cl2 N2 -","- C26 H22 Cl2 N2 -","- C52 H44 Cl4 N4 -","2","1","","Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions","Crystal Growth & Design","2013","13","11","4986","","10.1021/cg401166v","","","0.8","synchrotron","","","0.1173","","","","0.3859","","","","","","2.035","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510779","32.1445","0.0013","9.5074","0.0004","8.5267","0.0004","90","","104.161","0.002","90","","2526.66","0.19","153","","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O8 P2 -","- C26 H26 N2 O8 P2 -","- C104 H104 N8 O32 P8 -","4","0.5","","Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions","Crystal Growth & Design","2013","13","11","4986","","10.1021/cg401166v","","","0.8","synchrotron","","","0.0681","","","","0.205","","","","","","1.081","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510780","8.6135","0.00016","10.56801","0.00019","25.8505","0.0005","90","","90","","90","","2353.11","0.08","153","","153","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","- C104 H88 N16 O24 -","4","0.5","","Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions","Crystal Growth & Design","2013","13","11","4986","","10.1021/cg401166v","","","1.54187","CuKα","","","0.0439","","","","0.1128","","","","","","1.063","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510781","10.856","0.002","22.799","0.005","19.706","0.004","90","","99.49","0.03","90","","4810.6","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H53 Cu2 Nd2 O44 -","- C25 H5 Cu2 Nd2 O44 -","- C100 H20 Cu8 Nd8 O176 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7379","","","0.0957","0.0713","","","0.1843","0.2081","","","","","","1.022","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510782","10.953","0.002","23.056","0.005","19.811","0.004","90","","99.88","0.03","90","","4928.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","x-ray","0.7383","synchrotron","","0.0557","0.0494","","","0.1544","0.1633","","","","","","1.033","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510783","11.006","0.002","23.228","0.005","19.847","0.004","90","","99.91","0.03","90","","4998.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H51 Cu2 La2 O43 -","- C25 H5 Cu2 La2 O43 -","- C100 H20 Cu8 La8 O172 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7379","","","0.0829","0.0795","","","0.2065","0.2093","","","","","","1.042","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510784","10.923","0.002","22.771","0.005","19.758","0.004","90","","99.64","0.03","90","","4845","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H52 Cu2 O43.5 Sm2 -","- C25 H5 Cu2 O43.5 Sm2 -","- C100 H20 Cu8 O174 Sm8 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7379","","","0.0684","0.062","","","0.173","0.1833","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510785","10.994","0.002","23.098","0.005","19.838","0.004","90","","99.89","0.03","90","","4962.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H49 Ce2 Cu2 O42 -","- C25 H5 Ce2 Cu2 O42 -","- C100 H20 Ce8 Cu8 O168 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.738","","","0.0712","0.0692","","","0.2005","0.2037","","","","","","1.062","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510786","10.899","0.002","20.334","0.004","19.785","0.004","90","","99.48","0.03","90","","4324.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Cu2 O39 Sm2 -","- C25 H5 Cu2 O39 Sm2 -","- C100 H20 Cu8 O156 Sm8 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.73833","","","0.0595","0.0522","","","0.1502","0.1589","","","","","","1.103","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510787","10.9718","0.0002","20.2668","0.0003","19.7821","0.0005","90","","99.312","0.002","90","","4340.84","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Ce2 Cu2 O40 -","- C25 H5 Ce2 Cu2 O40 -","- C100 H20 Ce8 Cu8 O160 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.6889","synchrotron","","0.0517","0.0461","","","0.1213","0.1266","","","","","","1.027","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510788","10.927","0.002","20.391","0.004","19.807","0.004","90","","99.61","0.03","90","","4351.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 Cu2 Nd2 O39 -","- C25 H5 Cu2 Nd2 O39 -","- C100 H20 Cu8 Nd8 O156 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7383","","","0.0715","0.0426","","","0.1066","0.1224","","","","","","1.071","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510789","10.906","0.002","20.212","0.004","19.769","0.004","90","","99.22","0.03","90","","4301.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","x-ray","0.7513","synchrotron","","0.05","0.0476","","","0.1374","0.1396","","","","","","1.093","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510790","10.985","0.002","20.45","0.004","19.856","0.004","90","","99.73","0.03","90","","4396.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 La2 O40 -","- C25 H5 Cu2 La2 O40 -","- C100 H20 Cu8 La8 O160 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7383","","","0.062","0.0587","","","0.1676","0.1729","","","","","","1.038","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510791","10.765","0.001","17.305","0.002","20.621","0.002","79.53","0.01","76.34","0.01","84.04","0.01","3663.2","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H40 Br Cl18 Fe N8 P2 -","- C76 H40 Br Cl18 Fe N8 P2 -","- C152 H80 Br2 Cl36 Fe2 N16 P4 -","2","1","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Ishikawa, Manabu; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular Design of Anionic Phthalocyanines with π‒π Stacking Columnar Arrangement. Crystal Structures, Optical, and Magnetic Properties of Salts with the Iron(I) Hexadecachlorophthalocyanine Anions","Crystal Growth & Design","2013","13","11","4930","","10.1021/cg401118s","","","0.71073","MoKα","","0.2454","0.0782","","","0.1527","0.2318","","","","","","0.922","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510792","32.896","0.015","8.295","0.004","28.617","0.013","90","","122.446","0.007","90","","6590","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H11 Ag6 F15 N2 O11 -","- C22 H11 Ag6 F15 N2 O11 -","- C176 H88 Ag48 F120 N16 O88 -","8","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0702","0.0636","","","0.1808","0.1913","","","","","","1.087","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510793","14.9921","0.0013","15.8366","0.0014","18.8532","0.0016","79.38","0.002","70.681","0.002","62.268","0.001","3736.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H29 Ag9 F36 N4 O28 -","- C46 H29 Ag9 F36 N4 O28 -","- C92 H58 Ag18 F72 N8 O56 -","2","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.072","0.0498","","","0.1292","0.1459","","","","","","1.009","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510794","9.2284","0.0016","13.386","0.002","27.285","0.005","89.373","0.003","80.45","0.003","77.505","0.003","3244","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H24 Ag12 F24 N12 O16 -","- C38 H24 Ag12 F24 N12 O16 -","- C76 H48 Ag24 F48 N24 O32 -","2","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.1242","0.0982","","","0.2716","0.2936","","","","","","1.042","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510795","14.9692","0.0019","26.147","0.003","8.596","0.001","90","","90","","90","","3364.5","0.7","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C10 H8 Ag3 F6 N2 O4 -","- C10 H8 Ag3 F6 N2 O4 -","- C80 H64 Ag24 F48 N16 O32 -","8","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0728","0.0476","","","0.1127","0.1319","","","","","","1.035","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510796","15.366","0.0009","17.267","0.001","9.884","0.0006","90","","90","","90","","2622.5","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H3 Ag3 F6 N3 O4 -","- C7 H3 Ag3 F6 N3 O4 -","- C56 H24 Ag24 F48 N24 O32 -","8","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0456","0.0418","","","0.1117","0.1163","","","","","","0.983","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510797","8.0056","0.0007","26.24","0.002","18.0949","0.0016","90","","102.567","0.002","90","","3710.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 Ag6 F15 N3 O10 -","- C28 H14 Ag6 F15 N3 O10 -","- C112 H56 Ag24 F60 N12 O40 -","4","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0988","0.053","","","0.1121","0.1339","","","","","","1.005","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510798","28.5488","0.0014","11.5427","0.0005","35.637","0.002","90","","112.064","0.001","90","","10883.4","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H57 Ag12 F36 N16 O27 -","- C82 H57 Ag12 F36 N16 O27 -","- C328 H228 Ag48 F144 N64 O108 -","4","0.5","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0928","0.0726","","","0.185","0.2023","","","","","","1.034","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510799","4.2509","0.0007","11.363","0.003","31.115","0.006","90","","90","","90","","1502.9","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.0592","0.0497","","","0.1265","0.1368","","","","","","1.009","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510800","4.5532","0.0001","15.0996","0.0004","16.151","0.0005","90","","96.515","0.002","90","","1103.23","0.05","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.0665","0.0417","","","0.1025","0.1122","","","","","","1.03","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510801","13.4793","0.0008","6.6293","0.0004","18.5481","0.0012","90","","108.54","0.002","90","","1571.41","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.0627","0.0436","","","0.111","0.1199","","","","","","1.014","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510802","30.2956","0.0011","8.2672","0.0003","26.5597","0.0009","90","","117.346","0.002","90","","5908.8","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C288 H240 N48 O32 -","16","2","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.1008","0.0523","","","0.1215","0.1405","","","","","","1.011","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510803","5.9682","0.0003","12.0166","0.0006","22.9633","0.0012","90","","90.091","0.004","90","","1646.87","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","1.54178","CuKα","","0.0691","0.0601","","","0.1723","0.1763","","","","","","1.122","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510804","3.8949","0.0001","25.1426","0.0008","16.8477","0.0005","90","","95.522","0.002","90","","1642.2","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C84 H66 N6 O12 -","6","1.5","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.1042","0.0413","","","0.0704","0.0856","","","","","","0.882","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510805","8.7529","0.0004","9.5545","0.0004","39.9926","0.0017","90","","90","","90","","3344.6","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C168 H136 N8 O24 -","8","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","1.54178","CuKα","","0.0403","0.0354","","","0.0925","0.096","","","","","","1.073","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510806","8.2469","0.0002","8.2333","0.0002","22.0039","0.0005","90","","95.544","0.002","90","","1487.06","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.0759","0.0409","","","0.1017","0.1148","","","","","","1.012","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510807","31.12","0.006","18.155","0.003","25.759","0.005","90","","122.213","0.003","90","","12313","4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H74 N2 O10 -","- C68 H74 N2 O10 -","- C544 H592 N16 O80 -","8","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1181","0.0976","","","0.2318","0.2461","","","","","","1.109","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510808","30.315","0.01","18.54","0.005","25.319","0.008","90","","118.325","0.004","90","","12527","7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H64 N O8 -","- C63 H64 N O8 -","- C504 H512 N8 O64 -","8","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1896","0.1201","","","0.2907","0.3192","","","","","","1.342","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510809","31.024","0.007","18.263","0.003","24.405","0.005","90","","119.87","0.03","90","","11991","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C65 H68 N O9 -","- C65 H68 N O9 -","- C520 H544 N8 O72 -","8","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1172","0.091","","","0.2443","0.2587","","","","","","1.388","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510810","17.687","0.003","17.687","0.003","10.556","0.002","90","","90","","120","","2859.8","0.9","173","2","173","2","","","","","","","","3","P 3 c 1","P 3 -2""c","158","","","","- C60 H66 O9 -","- C60 H66 O9 -","- C120 H132 O18 -","2","0.333333","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.0725","0.0716","","","0.1854","0.1861","","","","","","1.157","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510811","31.214","0.009","18.145","0.004","26.186","0.007","90","","122.923","0.003","90","","12449","6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H63 N O8 -","- C63 H63 N O8 -","- C504 H504 N8 O64 -","8","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1063","0.084","","","0.2241","0.2385","","","","","","1.087","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510812","16.378","0.005","18.037","0.005","23.771","0.007","103.79","","102.499","0.004","111.865","0.004","5955","3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H76 O11 -","- C66 H76 O11 -","- C264 H304 O44 -","4","2","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1905","0.1458","","","0.2936","0.3235","","","","","","1.502","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4517059","3.9533","0.0002","10.6197","0.0004","14.3961","0.0006","74.675","0.002","82.622","0.003","79.443","0.002","570.99","0.04","291","0.3","291","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C24 H22 N6 O2 S2 -","2","1","","Trzesowska-Kruszynska, Agata","Solvent-Free and Catalysis-Free Approach to the Solid State in Situ Growth of Crystalline Isoniazid Hydrazones","Crystal Growth & Design","2013","13","9","3892","","10.1021/cg400529s","","","1.54178","CuKα","","0.0353","0.0349","","","0.0962","0.0966","","","","","","1.109","","","","has coordinates","239716","2020-10-21","18:00:00",""
"4517061","7.3823","0.0003","8.4674","0.0003","10.4894","0.0004","77.886","0.001","86.838","0.002","87.937","0.002","639.9","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0975","0.0466","","","0.0755","0.0899","","","","","","0.928","","","","has coordinates","239718","2020-10-21","18:00:00",""
"4517062","7.519","0.0007","8.8836","0.0008","10.1342","0.0009","76.071","0.003","86.803","0.003","83.784","0.003","652.84","0.1","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1229","0.0467","","","0.0756","0.0951","","","","","","0.949","","","","has coordinates,has disorder","239719","2020-10-21","18:00:00",""
"4517063","7.4063","0.0004","8.5132","0.0005","10.4515","0.0006","77.693","0.002","86.876","0.002","87.493","0.002","642.53","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0598","0.0434","","","0.1072","0.1191","","","","","","1.049","","","","has coordinates,has disorder","239720","2020-10-21","18:00:00",""
"4517064","7.4235","0.0004","8.5698","0.0005","10.393","0.0005","77.478","0.002","86.938","0.002","86.79","0.002","643.86","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0827","0.0504","","","0.1212","0.1403","","","","","","1.015","","","","has coordinates,has disorder","239721","2020-10-21","18:00:00",""
"4517065","7.5049","0.0004","8.8598","0.0004","10.1573","0.0006","76.199","0.002","86.886","0.003","83.941","0.002","651.92","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1378","0.0486","","","0.0723","0.0922","","","","","","0.939","","","","has coordinates,has disorder","239722","2020-10-21","18:00:00",""
"4517066","7.5175","0.0003","8.8851","0.0003","10.1345","0.0004","76.054","0.002","86.817","0.002","83.763","0.002","652.78","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1015","0.051","","","0.113","0.1362","","","","","","1.015","","","","has coordinates,has disorder","239723","2020-10-21","18:00:00",""
"4517067","7.4793","0.0002","8.7829","0.0003","10.2316","0.0003","76.593","0.002","86.968","0.002","84.781","0.002","650.74","0.03","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0907","0.0466","","","0.1034","0.1225","","","","","","1.013","","","","has coordinates,has disorder","239724","2020-10-21","18:00:00",""
"4517068","7.5206","0.0004","8.8938","0.0004","10.1311","0.0006","76.016","0.002","86.818","0.003","83.775","0.002","653.37","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1287","0.0527","","","0.0932","0.1167","","","","","","1.003","","","","has coordinates,has disorder","239725","2020-10-21","18:00:00",""
"4517069","7.4924","0.0003","8.8522","0.0004","10.1725","0.0005","76.232","0.002","86.916","0.002","84.121","0.001","651.55","0.05","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0815","0.0601","","","0.0916","0.1018","","","","","","1.085","","","","has coordinates,has disorder","239726","2020-10-21","18:00:00",""
"4517070","7.4171","0.0002","8.5537","0.0003","10.4144","0.0003","77.547","0.001","86.928","0.001","87.005","0.001","643.69","0.03","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0634","0.0452","","","0.1088","0.121","","","","","","1.019","","","","has coordinates,has disorder","239727","2020-10-21","18:00:00",""
"4517071","7.4528","0.0003","8.6771","0.0003","10.316","0.0004","77.061","0.002","86.974","0.002","85.713","0.002","647.92","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0997","0.0458","","","0.0952","0.1166","","","","","","1.009","","","","has coordinates,has disorder","239728","2020-10-21","18:00:00",""
"4517072","7.4994","0.0004","8.8416","0.0004","10.1705","0.0005","76.24","0.002","86.882","0.002","84.146","0.002","651.29","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C30.969 H25.974 N1.998 O3.996 S1.998 -","- C30.969 H25.974 N1.998 O3.996 S1.998 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1448","0.0487","","","0.0773","0.0984","","","","","","0.934","","","","has coordinates,has disorder","239729","2020-10-21","18:00:00",""
"4517073","7.5078","0.0002","8.888","0.0003","10.1325","0.0003","76.029","0.001","86.784","0.001","83.779","0.001","651.96","0.03","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0853","0.0509","","","0.1075","0.1256","","","","","","1.051","","","","has coordinates,has disorder","239730","2020-10-21","18:00:00",""
"4517074","9.6723","0.0004","8.5785","0.0004","31.5474","0.0014","90","","96.531","0.002","90","","2600.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C124 H104 N8 O16 S8 -","4","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1054","0.0517","","","0.0941","0.108","","","","","","0.958","","","","has coordinates,has disorder","239731","2020-10-21","18:00:00",""
"4517075","7.519","0.005","8.898","0.005","10.122","0.005","76.022","0.005","86.781","0.005","83.761","0.005","652.9","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71069","MoKα","","0.1155","0.0557","","","0.0965","0.1208","","","","","","1.104","","","","has coordinates,has disorder","239732","2020-10-21","18:00:00",""
"4517137","11.8959","0.0002","9.1565","0.0002","17.3296","0.0003","90","","97.688","0.001","90","","1870.66","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 B N3 -","- C23 H20 B N3 -","- C92 H80 B4 N12 -","4","1","","Shipman, Patrick O.; Cui, Chengzhong; Lupinska, Patrycja; Lalancette, Roger A.; Sheridan, John B.; Jäkle, Frieder","Nitroxide-Mediated Controlled Free Radical Polymerization of the Chelate Monomer 4-Styryl-tris(2-pyridyl)borate (StTpyb) and Supramolecular Assembly via Metal Complexation","ACS Macro Letters","2013","2","12","1056","","10.1021/mz400462h","","","1.54178","CuKα","","0.038","0.035","","","0.09","0.093","","","","","","1.07","","","","has coordinates","243458","2020-10-21","18:00:00",""
"4517140","8.252","0.005","8.511","0.005","11.23","0.007","92.512","0.004","110.205","0.008","113.719","0.004","662.1","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","'(E)-2-((4-(dimethylamino)phenyl)diazenyl)benzoic acid'","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C30 H30 N6 O4 -","2","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.0598","0.0473","","","","0.1392","","","","","","1.035","","","","has coordinates","243730","2020-10-21","18:00:00",""
"4517141","10.529","0.004","17.052","0.006","8.348","0.003","90","","92.743","0.004","90","","1497.1","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'(E)-2-((4-(diethylamino)phenyl)diazenyl)benzoic acid'","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.0644","0.0536","","","","0.1345","","","","","","1.096","","","","has coordinates","243730","2020-10-21","18:00:00",""
"4517142","10.214","0.006","13.482","0.008","12.661","0.007","90","","98.953","0.001","90","","1722.2","1.7","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","'(E)-2-((4-(dipropylamino)phenyl)diazenyl)benzoic acid'","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C76 H92 N12 O8 -","4","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.0932","0.069","","","","0.1487","","","","","","1.124","","","","has coordinates","243730","2020-10-21","18:00:00",""
"4517143","16.072","0.004","7.325","0.0019","14.97","0.004","90","","91.207","0.004","90","","1762","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'(E)-4-((4-(dimethylamino)phenyl)diazenyl)benzoic acid pyridine solvate'","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C80 H80 N16 O8 -","4","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.064","0.0591","","","","0.1586","","","","","","1.096","","","","has coordinates","243730","2020-10-21","18:00:00",""
"4517144","12.241","0.005","8.264","0.003","15.473","0.006","90","","100.65","0.005","90","","1538.3","1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","'(E)-4-((4-(diethylamino)phenyl)diazenyl)benzoic acid'","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","1","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.074","0.063","","","","0.1668","","","","","","1.063","","","","has coordinates","243730","2020-10-21","18:00:00",""
"4517145","7.921","0.005","14.169","0.01","14.875","0.011","110.092","0.008","103.584","0.009","90.916","0.005","1515.4","1.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","'(E)-4-((4-(diethylamino)phenyl)diazenyl)benzoic acid'","","- C17 H19 N3 O2 -","- C17 H19 N3 O2 -","- C68 H76 N12 O8 -","4","2","","Zhang, Lei; Cole, Jacqueline M.; Waddell, Paul G.; Low, Kian S.; Liu, Xiaogang","Relating Electron Donor and Carboxylic Acid Anchoring Substitution Effects in Azo Dyes to Dye-Sensitized Solar Cell Performance","ACS Sustainable Chemistry & Engineering","2013","1","11","1440","","10.1021/sc400183t","","","0.71073","MoKα","","0.0816","0.0686","","","","0.1818","","","","","","1.085","","","","has coordinates","243730","2020-10-21","18:00:00",""
"7020613","10.1234","0.0005","11.7781","0.0006","17.6664","0.0009","82.839","0.002","83.646","0.002","83.741","0.002","2067.47","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H28 B F15 N P -","- C48 H28 B F15 N P -","- C96 H56 B2 F30 N2 P2 -","2","1","","Jiang, Chunfang; Stephan, Douglas W.","Phosphinimine-borane combinations in frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","630","637","10.1039/c2dt30720k","","","0.71073","MoKα","","0.0563","0.041","","","0.1015","0.1108","","","","","","1.025","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020614","11.7826","0.0007","16.507","0.001","19.9076","0.0013","90","","94.53","0.002","90","","3859.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H17 B F20 N P -","- C42 H17 B F20 N P -","- C168 H68 B4 F80 N4 P4 -","4","1","","Jiang, Chunfang; Stephan, Douglas W.","Phosphinimine-borane combinations in frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","630","637","10.1039/c2dt30720k","","","0.71073","MoKα","","0.0884","0.0514","","","0.1153","0.1336","","","","","","0.997","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020615","9.1433","0.0008","17.7446","0.0016","26.879","0.003","90","","92.266","0.003","90","","4357.6","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H26 B F15 N O2 P -","- C49 H26 B F15 N O2 P -","- C196 H104 B4 F60 N4 O8 P4 -","4","1","","Jiang, Chunfang; Stephan, Douglas W.","Phosphinimine-borane combinations in frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","630","637","10.1039/c2dt30720k","","","0.71073","MoKα","","0.0841","0.0576","","","0.1485","0.1616","","","","","","1.046","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020616","10.7176","0.0005","24.4998","0.0011","15.8572","0.0007","90","","97.1","0.002","90","","4131.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H26 B F15 N P -","- C50 H26 B F15 N P -","- C200 H104 B4 F60 N4 P4 -","4","1","","Jiang, Chunfang; Stephan, Douglas W.","Phosphinimine-borane combinations in frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","630","637","10.1039/c2dt30720k","","","0.71073","MoKα","","0.0704","0.0401","","","0.0959","0.1127","","","","","","0.873","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020617","23.6597","0.0005","19.1776","0.0004","24.7362","0.0005","90","","117.818","0.001","90","","9926.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55.25 H27 B F20 N P -","- C55.25 H27 B F20 N P -","- C442 H216 B8 F160 N8 P8 -","8","2","","Jiang, Chunfang; Stephan, Douglas W.","Phosphinimine-borane combinations in frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","630","637","10.1039/c2dt30720k","","","0.71073","MoKα","","0.1096","0.0587","","","0.1683","0.198","","","","","","1.058","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020618","10.1999","0.0008","17.1867","0.0013","24.1364","0.0019","89.968","0.004","80.171","0.004","83.358","0.004","4140.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H30 B F15 N P -","- C48 H30 B F15 N P -","- C192 H120 B4 F60 N4 P4 -","4","2","","Jiang, Chunfang; Stephan, Douglas W.","Phosphinimine-borane combinations in frustrated Lewis pair chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","630","637","10.1039/c2dt30720k","","","0.71073","MoKα","","0.0648","0.0403","","","0.0947","0.1082","","","","","","1.037","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020619","10.472","0.002","19.443","0.004","24.876","0.005","97.98","0.03","94.22","0.03","91.94","0.03","4997.3","1.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H76 F12 N8 O20 Ru4 S4 -","- C76 H76 F12 N8 O20 Ru4 S4 -","- C152 H152 F24 N16 O40 Ru8 S8 -","2","1","","Vajpayee, Vaishali; Lee, Sunmi; Kim, Seol-Hee; Kang, Se Chan; Cook, Timothy R.; Kim, Hyunuk; Kim, Dong Wook; Verma, Shashi; Lah, Myoung Soo; Kim, In Su; Wang, Ming; Stang, Peter J.; Chi, Ki-Whan","Self-assembled metalla-rectangles bearing azodipyridyl ligands: synthesis, characterization and antitumor activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","466","475","10.1039/c2dt31014g","","","0.9","synchrotron","","0.0841","0.0753","","","0.2389","0.2461","","","","","","1.067","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020620","15.356","0.003","23.897","0.005","17.071","0.003","90","","108.78","0.03","90","","5931","2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C114 H112 F12 N8 O24 Ru4 S4 -","- C114 H112 F12 N8 O24 Ru4 S4 -","- C228 H224 F24 N16 O48 Ru8 S8 -","2","0.5","","Vajpayee, Vaishali; Lee, Sunmi; Kim, Seol-Hee; Kang, Se Chan; Cook, Timothy R.; Kim, Hyunuk; Kim, Dong Wook; Verma, Shashi; Lah, Myoung Soo; Kim, In Su; Wang, Ming; Stang, Peter J.; Chi, Ki-Whan","Self-assembled metalla-rectangles bearing azodipyridyl ligands: synthesis, characterization and antitumor activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","466","475","10.1039/c2dt31014g","","","0.71073","MoKα","","0.1723","0.0677","","","0.1585","0.21","","","","","","0.985","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020621","14.8795","0.0009","16.0919","0.0008","18.6121","0.001","102.704","0.004","106.785","0.005","103.584","0.004","3944","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H114 Dy N19 Ni2 O36 -","- C56 H84 Dy N19 Ni2 O36 -","- C112 H168 Dy2 N38 Ni4 O72 -","2","1","","Bhunia, Asamanjoy; Yadav, Munendra; Lan, Yanhua; Powell, Annie K.; Menges, Fabian; Riehn, Christoph; Niedner-Schatteburg, Gereon; Jana, Partha P.; Riedel, Radostan; Harms, Klaus; Dehnen, Stefanie; Roesky, Peter W.","Trinuclear nickel-lanthanide compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2445","2450","10.1039/c2dt31023f","","","0.71073","MoKα","","0.1263","0.0594","","","0.1051","0.1218","","","","","","0.855","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020622","16.2644","0.0015","16.3118","0.0012","19.407","0.0014","110.568","0.005","111.377","0.006","88.898","0.007","4453.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H124 Er N19 Ni2 O41 -","- C56 H84 Er N19 Ni2 O41 -","- C112 H168 Er2 N38 Ni4 O82 -","2","1","","Bhunia, Asamanjoy; Yadav, Munendra; Lan, Yanhua; Powell, Annie K.; Menges, Fabian; Riehn, Christoph; Niedner-Schatteburg, Gereon; Jana, Partha P.; Riedel, Radostan; Harms, Klaus; Dehnen, Stefanie; Roesky, Peter W.","Trinuclear nickel-lanthanide compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2445","2450","10.1039/c2dt31023f","","","0.71073","MoKα","","0.1709","0.0707","","","0.1639","0.1908","","","","","","0.747","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020623","16.3087","0.0006","16.3388","0.0005","19.2433","0.0007","110.903","0.003","110.911","0.003","90.224","0.003","4423.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H122 Lu N19 Ni2 O40 -","- C56 H84 Lu N19 Ni2 O40 -","- C112 H168 Lu2 N38 Ni4 O80 -","2","1","","Bhunia, Asamanjoy; Yadav, Munendra; Lan, Yanhua; Powell, Annie K.; Menges, Fabian; Riehn, Christoph; Niedner-Schatteburg, Gereon; Jana, Partha P.; Riedel, Radostan; Harms, Klaus; Dehnen, Stefanie; Roesky, Peter W.","Trinuclear nickel-lanthanide compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2445","2450","10.1039/c2dt31023f","","","0.71073","MoKα","","0.0743","0.0512","","","0.1269","0.1335","","","","","","0.917","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020624","15.9709","0.0009","16.0363","0.0007","20.1336","0.0011","109.136","0.004","112.815","0.004","88.4","0.004","4461.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H124 Gd N19 Ni2 O41 -","- C56 H84 Gd N19 Ni2 O21 -","- C112 H168 Gd2 N38 Ni4 O42 -","2","1","","Bhunia, Asamanjoy; Yadav, Munendra; Lan, Yanhua; Powell, Annie K.; Menges, Fabian; Riehn, Christoph; Niedner-Schatteburg, Gereon; Jana, Partha P.; Riedel, Radostan; Harms, Klaus; Dehnen, Stefanie; Roesky, Peter W.","Trinuclear nickel-lanthanide compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2445","2450","10.1039/c2dt31023f","","","0.71073","MoKα","","0.1178","0.0819","","","0.1845","0.1929","","","","","","0.957","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020625","11.4816","0.0009","6.686","0.0005","12.0068","0.0009","90","","96.559","0.001","90","","915.68","0.12","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H24 Cl2 N4 O1.5 Pt -","- C17 H20 Cl2 N4 O1.5 Pt -","- C34 H40 Cl4 N8 O3 Pt2 -","2","1","","Garbutcheon-Singh, K Benjamin; Leverett, Peter; Myers, Simon; Aldrich-Wright, Janice R","Cytotoxic platinum(II) intercalators that incorporate 1R,2R-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","918","926","10.1039/c2dt31323e","","","0.71073","MoKα","","0.0195","0.0174","","","0.041","0.0417","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020626","11.5777","0.0006","7.0009","0.0004","12.5079","0.0007","90","","93.125","0.001","90","","1012.31","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H26 Cl2 N4 O2 Pt -","- C18 H26 Cl2 N4 O2 Pt -","- C36 H52 Cl4 N8 O4 Pt2 -","2","1","","Garbutcheon-Singh, K Benjamin; Leverett, Peter; Myers, Simon; Aldrich-Wright, Janice R","Cytotoxic platinum(II) intercalators that incorporate 1R,2R-diaminocyclopentane.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","918","926","10.1039/c2dt31323e","","","0.71073","MoKα","","0.0159","0.0154","","","0.0385","0.0387","","","","","","1.084","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020627","16.348","0.009","18.322","0.01","20.635","0.011","96.357","0.005","106.605","0.006","96.596","0.006","5817","5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- As2 Co Fe5 H92 Mo22 N15 O101 -","- As2 Co Fe5 Mo22 O116 -","- As4 Co2 Fe10 Mo44 O232 -","2","1","","Zhen, Yanzhong; Liu, Bin; Li, Lili; Wang, Danjun; Ma, Ying; Hu, Huaiming; Gao, Shengli; Xue, Ganglin","Single-molecule magnet based on a C-type polyoxomolybdate with an S = 11 ground state: [Fe5CoMo22As2O85(H2O)]15-.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","58","62","10.1039/c2dt31331f","","","0.71073","MoKα","","0.0888","0.0728","","","0.1896","0.21","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020628","9.8489","0.0012","10.6037","0.0013","11.3906","0.0014","90.656","0.001","98.177","0.001","95.502","0.002","1171.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","CWG61","","","- C26 H31 Cl Ir N O2 -","- C26 H31 Cl Ir N O2 -","- C52 H62 Cl2 Ir2 N2 O4 -","2","1","","Wang, Chao; Chen, Hsin-Yi Tiffany; Bacsa, John; Catlow, C Richard A; Xiao, Jianliang","Synthesis and X-ray structures of cyclometalated iridium complexes including the hydrides.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","935","940","10.1039/c2dt31368e","","","0.71073","MoKα","","0.0277","0.0261","","","0.0655","0.0662","","","","","","1.053","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020629","11.2929","0.0018","13.525","0.002","14.951","0.002","90","","108.771","0.002","90","","2162.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CWF61","","","- C24 H33 Cl Ir N -","- C24 H33 Cl Ir N -","- C96 H132 Cl4 Ir4 N4 -","4","1","","Wang, Chao; Chen, Hsin-Yi Tiffany; Bacsa, John; Catlow, C Richard A; Xiao, Jianliang","Synthesis and X-ray structures of cyclometalated iridium complexes including the hydrides.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","935","940","10.1039/c2dt31368e","","","0.71073","MoKα","","0.0245","0.022","","","0.0514","0.0522","","","","","","1.056","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020630","30.885","0.01","9.215","0.003","16.691","0.005","90","","98.318","0.007","90","","4700","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","cwg42","","","- C26 H29 Ir N2 O -","- C26 H29 Ir N2 O -","- C208 H232 Ir8 N16 O8 -","8","1","","Wang, Chao; Chen, Hsin-Yi Tiffany; Bacsa, John; Catlow, C Richard A; Xiao, Jianliang","Synthesis and X-ray structures of cyclometalated iridium complexes including the hydrides.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","935","940","10.1039/c2dt31368e","","","0.71073","MoKα","","0.0813","0.065","","","0.1597","0.1688","","","","","","1.108","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020631","7.1562","0.0007","31.863","0.003","9.9929","0.001","90","","100.242","0.001","90","","2242.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CWG29B","","","- C26 H32 Ir N O2 -","- C26 H32 Ir N O2 -","- C104 H128 Ir4 N4 O8 -","4","1","","Wang, Chao; Chen, Hsin-Yi Tiffany; Bacsa, John; Catlow, C Richard A; Xiao, Jianliang","Synthesis and X-ray structures of cyclometalated iridium complexes including the hydrides.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","935","940","10.1039/c2dt31368e","","","0.71073","MoKα","","0.0539","0.043","","","0.0749","0.0772","","","","","","1.201","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020632","8.222","0.0003","9.0601","0.0003","18.3261","0.0007","90","","99.563","0.002","90","","1346.18","0.08","180","2","180","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C30 H36 B N S Si -","- C30 H36 B N S Si -","- C60 H72 B2 N2 S2 Si2 -","2","1","","Rao, Ying-Li; Amarne, Hazem; Lu, Jia-Sheng; Wang, Suning","Impact of a dithienyl unit on photostability of N,C-chelating boron compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","638","644","10.1039/c2dt31370g","","","0.71073","MoKα","","0.0937","0.0534","","","0.0954","0.1103","","","","","","0.996","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020633","13.9623","0.0015","26.777","0.003","8.7487","0.0008","90","","108.141","0.002","90","","3108.3","0.6","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 B Cl2 N S -","- C36 H33 B Cl2 N S -","- C144 H132 B4 Cl8 N4 S4 -","4","1","","Rao, Ying-Li; Amarne, Hazem; Lu, Jia-Sheng; Wang, Suning","Impact of a dithienyl unit on photostability of N,C-chelating boron compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","638","644","10.1039/c2dt31370g","","","0.71073","MoKα","","0.1098","0.0566","","","0.119","0.1443","","","","","","1.056","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020634","27.431","0.002","17.7844","0.0014","20.7641","0.0017","90","","112.196","0.001","90","","9379","1.3","173","2","173","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C160 H172 F24 Ir8 N24 O26 S8 -","- C160 H168 F24 Ir8 N24 O26 S8 -","- C320 H336 F48 Ir16 N48 O52 S16 -","2","0.25","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Stepwise formation of organometallic macrocycles and triangular prisms containing 2,2'-bisbenzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","82","88","10.1039/c2dt31387a","","","0.71073","MoKα","","0.088","0.0537","","","0.1395","0.1573","","","","","","0.969","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020635","13.3751","0.0008","32.7892","0.0018","14.0292","0.0008","90","","116.633","0.001","90","","5499.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C95.6 H128.4 F12 N12 O18.6 Rh4 S4 -","- C87.6 H107.4 F12 N12 O16.6 Rh4 S4 -","- C175.2 H214.8 F24 N24 O33.2 Rh8 S8 -","2","0.5","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Stepwise formation of organometallic macrocycles and triangular prisms containing 2,2'-bisbenzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","82","88","10.1039/c2dt31387a","","","0.71073","MoKα","","0.0773","0.0496","","","0.1281","0.1395","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020636","12.8163","0.0008","25.5882","0.0014","17.7677","0.001","90","","110.436","0.001","90","","5460.1","0.5","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C102 H126 F12 Ir4 N12 O19 S4 -","- C96 H92 F12 Ir4 N12 O16 S4 -","- C192 H184 F24 Ir8 N24 O32 S8 -","2","1","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Stepwise formation of organometallic macrocycles and triangular prisms containing 2,2'-bisbenzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","82","88","10.1039/c2dt31387a","","","0.71073","MoKα","","0.0664","0.0541","","","0.1421","0.1497","","","","","","1.059","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020637","33.945","0.002","25.8578","0.0018","28.822","0.002","90","","90","","90","","25298","3","173","2","173","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C129 H136 Ag F15 Ir4 N16 O19 S5 -","- C116 H104 Ag F12 Ir4 N16 O13 S4 -","- C928 H832 Ag8 F96 Ir32 N128 O104 S32 -","8","1","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Stepwise formation of organometallic macrocycles and triangular prisms containing 2,2'-bisbenzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","82","88","10.1039/c2dt31387a","","","0.71073","MoKα","","0.1257","0.0723","","","0.1869","0.2118","","","","","","1","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020638","34.2162","0.0008","25.98","0.0005","28.8348","0.0006","90","","90","","90","","25632.3","0.9","173","2","173","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C117 H106 Ag F15 N16 O16 Rh4 S5 -","- C114 H104 Ag F6 N16 O7 Rh4 S2 -","- C912 H832 Ag8 F48 N128 O56 Rh32 S16 -","8","1","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Stepwise formation of organometallic macrocycles and triangular prisms containing 2,2'-bisbenzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","82","88","10.1039/c2dt31387a","","","1.54178","CuKα","","0.1392","0.0976","","","0.2603","0.2919","","","","","","0.965","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020639","22.1957","0.0019","33.541","0.003","29.504","0.003","90","","110.164","0.002","90","","20619","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C202 H219 F18 Ir6 N24 O27 S6 -","- C183 H163 F9 Ir6 N24 O12 S3 -","- C732 H652 F36 Ir24 N96 O48 S12 -","4","1","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Stepwise formation of organometallic macrocycles and triangular prisms containing 2,2'-bisbenzimidazole ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","82","88","10.1039/c2dt31387a","","","0.71073","MoKα","","0.1456","0.0794","","","0.2123","0.2423","","","","","","0.936","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020640","11.558","0.004","11.6772","0.0014","14.555","0.005","66.6","0.03","89.11","0.03","62.92","0.02","1572","1","125","","125","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Ag B Br2 F4 S2 -","- C36 H26 Ag B Br2 F4 S2 -","- C72 H52 Ag2 B2 Br4 F8 S4 -","2","1","","Knight, Fergus R.; Randall, Rebecca A. M.; Wakefield, Lucy; Slawin, Alexandra M. Z.; Woollins, J. Derek","Silver(I) coordination complexes and extended networks assembled from S, Se, Te substituted acenaphthenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","143","154","10.1039/c2dt31390a","","","0.71075","MoKα","","","0.081","","","","0.2868","","","","","","1.105","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020641","7.943","0.004","24.606","0.011","16.278","0.008","90","","92.687","0.017","90","","3178","3","125","","125","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Ag0.5 B0.5 Br F2 Se -","- C18 H13 Ag0.5 B0.5 Br F2 Se -","- C144 H104 Ag4 B4 Br8 F16 Se8 -","8","1","","Knight, Fergus R.; Randall, Rebecca A. M.; Wakefield, Lucy; Slawin, Alexandra M. Z.; Woollins, J. Derek","Silver(I) coordination complexes and extended networks assembled from S, Se, Te substituted acenaphthenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","143","154","10.1039/c2dt31390a","","","0.71075","MoKα","","","0.0457","","","","0.1438","","","","","","1.171","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020642","7.97","0.003","24.835","0.007","16.601","0.005","90","","92.622","0.007","90","","3282.5","1.8","125","","125","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Ag0.5 B0.5 Br F2 Te -","- C18 H13 Ag0.5 B0.5 Br F2 Te -","- C144 H104 Ag4 B4 Br8 F16 Te8 -","8","1","","Knight, Fergus R.; Randall, Rebecca A. M.; Wakefield, Lucy; Slawin, Alexandra M. Z.; Woollins, J. Derek","Silver(I) coordination complexes and extended networks assembled from S, Se, Te substituted acenaphthenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","143","154","10.1039/c2dt31390a","","","0.71075","MoKα","","","0.0476","","","","0.1845","","","","","","1.146","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020643","12.309","0.008","12.716","0.007","18.58","0.01","91.88","0.006","107.836","0.005","116.347","0.006","2432","2","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C55 H39 Ag Br3 F3 O3 S4 -","- C55 H39 Ag Br3 F3 O3 S4 -","- C110 H78 Ag2 Br6 F6 O6 S8 -","2","1","","Knight, Fergus R.; Randall, Rebecca A. M.; Wakefield, Lucy; Slawin, Alexandra M. Z.; Woollins, J. Derek","Silver(I) coordination complexes and extended networks assembled from S, Se, Te substituted acenaphthenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","143","154","10.1039/c2dt31390a","","","0.71075","MoKα","","","0.0913","","","","0.2556","","","","","","1.092","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020644","10.243","0.004","12.025","0.005","14.203","0.005","102.793","0.008","94.284","0.007","90.985","0.005","1700.2","1.1","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C37 H26 Ag Br2 F3 O3 S Se2 -","- C37 H26 Ag Br2 F3 O3 S Se2 -","- C74 H52 Ag2 Br4 F6 O6 S2 Se4 -","2","1","","Knight, Fergus R.; Randall, Rebecca A. M.; Wakefield, Lucy; Slawin, Alexandra M. Z.; Woollins, J. Derek","Silver(I) coordination complexes and extended networks assembled from S, Se, Te substituted acenaphthenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","143","154","10.1039/c2dt31390a","","","0.71075","MoKα","","","0.0421","","","","0.089","","","","","","1.1","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020645","27.848","0.014","4.9481","0.0019","30.373","0.012","90","","109.97","0.04","90","","3934","3","125","","125","","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C38 H26 Ag2 Br2 F6 O6 S2 Te2 -","- C38 H26 Ag2 Br2 F6 O6 S2 Te2 -","- C152 H104 Ag8 Br8 F24 O24 S8 Te8 -","4","0.5","","Knight, Fergus R.; Randall, Rebecca A. M.; Wakefield, Lucy; Slawin, Alexandra M. Z.; Woollins, J. Derek","Silver(I) coordination complexes and extended networks assembled from S, Se, Te substituted acenaphthenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","143","154","10.1039/c2dt31390a","","","0.71075","MoKα","","","0.0703","","","","0.22","","","","","","1.229","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020646","9.8836","0.0004","12.8681","0.0004","10.9817","0.0004","90","","99.384","0.003","90","","1378","0.09","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H10 Mg N2 O5 -","- C12 H8 Mg N2 O5 -","- C48 H32 Mg4 N8 O20 -","4","2","","Liu, Tingzhi; Luo, Daibing; Xu, Dingguo; Zeng, Hongmei; Lin, Zhien","An open-framework rutile-type magnesium isonicotinate and its structural analogue with an anatase topology.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","368","371","10.1039/c2dt31394d","","","0.71073","MoKα","","0.0901","0.0783","","","0.2689","0.2805","","","","","","1.166","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020647","13.9067","0.0008","10.4327","0.0005","8.4374","0.0005","90","","112.133","0.007","90","","1133.93","0.12","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Mg N2 O4 -","- C12 H2 Mg N2 O4 -","- C48 H8 Mg4 N8 O16 -","4","0.5","","Liu, Tingzhi; Luo, Daibing; Xu, Dingguo; Zeng, Hongmei; Lin, Zhien","An open-framework rutile-type magnesium isonicotinate and its structural analogue with an anatase topology.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","368","371","10.1039/c2dt31394d","","","0.71073","MoKα","","0.0484","0.044","","","0.1293","0.1326","","","","","","1.127","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020648","10.108","0.004","24.054","0.009","21.012","0.008","90","","92.146","0.007","90","","5105","3","113","","113","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H68 F6 Fe N O10 P -","- C50.0052 H57 F6 Fe N O10 P -","- C200.021 H228 F24 Fe4 N4 O40 P4 -","4","1","","Yu, Gilbert; Suzaki, Yuji; Abe, Tomoko; Osakada, Kohtaro","Introduction of ferrocene-containing [2]rotaxanes onto siloxane, silsesquioxane and polysiloxanes via click chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1476","1482","10.1039/c2dt31406a","","","0.7107","MoKα","","","0.0695","","","","0.1154","","","","","","0.966","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020649","14.4314","0.0002","9.1152","0.0002","16.7889","0.0001","90","","112.708","0.001","90","","2037.3","0.06","293","2","293","2","","","","","","","","8","P 1 2 1","P 2y","3","","","","- C20 H84 F16 Ga12 N8 O56 P12 Rb4 -","- C20 H64 F16 Ga12 N8 O56 P12 Rb4 -","- C20 H64 F16 Ga12 N8 O56 P12 Rb4 -","1","0.5","","Martineau, Charlotte; Loiseau, Thierry; Beitone, Lionel; Férey, Gérard; Bouchevreau, Boris; Taulelle, Francis","Single-crystal XRD and solid-state NMR structural resolution of a layered fluorinated gallium phosphate: RbGa3(PO4)(2)(HPO4)F4·C5N2H16·2H2O (MIL-145).","Dalton transactions (Cambridge, England : 2003)","2013","42","2","422","431","10.1039/c2dt31464a","","","0.71073","MoKα","","0.1107","0.0611","","","0.137","0.1583","","","","","","0.934","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020650","13.427","0.003","13.49","0.003","14.172","0.004","68.329","0.003","67.007","0.003","79.508","0.003","2193.9","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H26 B Cl15 N2 O3.5 -","- C37 H34 B Cl15 N2 O3 -","- C74 H68 B2 Cl30 N4 O6 -","2","1","","Zhao, Haiyan; Reibenspies, Joseph H.; Gabbaï, François P","Lewis acidic behavior of B(C6Cl5)3.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","608","610","10.1039/c2dt31482g","","","0.71073","MoKα","","0.0626","0.0469","","","0.1324","0.1402","","","","","","1.148","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7020651","13.7551","0.001","13.7551","0.001","25.562","0.004","90","","90","","120","","4188.4","0.8","110","2","110","2","","","","","","","","8","P -3 c 1","-P 3 2""c","165","","","","- C28 H28 B Cl15 F N3 O S -","- C28.02 H28.056 B0.9999 Cl15 F0.9999 N3.006 O1.002 S1.002 -","- C112.08 H112.224 B3.9996 Cl60 F3.9996 N12.024 O4.008 S4.008 -","4","0.333333","","Zhao, Haiyan; Reibenspies, Joseph H.; Gabbaï, François P","Lewis acidic behavior of B(C6Cl5)3.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","608","610","10.1039/c2dt31482g","","","0.71073","MoKα","","0.1188","0.0945","","","0.247","0.2823","","","","","","1.04","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020652","14.128","0.002","14.128","0.002","10.158","0.001","90","","90","","120","","1755.9","0.4","293","","293","","","","","","","","","3","P 31","P 31","144","","","","- Er F4 K -","- Er F4 K -","- Er18 F72 K18 -","18","6","","Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen","Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb).","Dalton transactions (Cambridge, England : 2003)","2013","42","2","441","447","10.1039/c2dt31483e","","x-ray","0.4","","","0.0386","0.0312","","","0.075","0.078","","","","1.08","1.08","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020653","14.19","0.001","14.19","0.001","10.2","0.001","90","","90","","120","","1778.7","0.2","293","","293","","","","","","","","","3","P 31","P 31","144","","","","- F4 Ho K -","- F4 Ho K -","- F72 Ho18 K18 -","18","6","","Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen","Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb).","Dalton transactions (Cambridge, England : 2003)","2013","42","2","441","447","10.1039/c2dt31483e","","x-ray","0.4","","","0.0344","0.0304","","","0.035","0.0358","","","","1.21","1.21","1.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020654","14.087","0.002","14.087","0.002","10.146","0.001","90","","90","","120","","1743.7","0.4","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- F4 K Tm -","- F4 K Tm -","- F72 K18 Tm18 -","18","6","","Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen","Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb).","Dalton transactions (Cambridge, England : 2003)","2013","42","2","441","447","10.1039/c2dt31483e","","x-ray","0.4","","","0.031","0.0301","","","0.0385","0.0386","","","","1.73","1.73","1.71","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020655","14.006","0.002","14.006","0.002","10.062","0.001","90","","90","","120","","1709.4","0.4","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- F4 K Y -","- F4 K Y -","- F72 K18 Y18 -","18","6","","Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen","Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb).","Dalton transactions (Cambridge, England : 2003)","2013","42","2","441","447","10.1039/c2dt31483e","","x-ray","0.4","","","0.073","0.073","","","0.0724","0.0724","","","","2.67","2.67","2.67","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020656","14.163","0.001","14.163","0.001","10.19","0.001","90","","90","","120","","1770.2","0.2","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- F4 K Y -","- F4 K Y -","- F72 K18 Y18 -","18","6","","Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen","Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb).","Dalton transactions (Cambridge, England : 2003)","2013","42","2","441","447","10.1039/c2dt31483e","","x-ray","0.4","","","0.0361","0.0306","","","0.04","0.0409","","","","1.21","1.21","1.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020657","13.754","0.003","13.754","0.003","9.891","0.002","90","","90","","120","","1620.4","0.6","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- F4 K Yb -","- F4 K Yb -","- F72 K18 Yb18 -","18","6","","Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen","Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb).","Dalton transactions (Cambridge, England : 2003)","2013","42","2","441","447","10.1039/c2dt31483e","","x-ray","0.4","","","0.0828","0.0828","","","0.0862","0.0862","","","","3.81","3.81","3.81","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020658","14.026","0.002","14.026","0.002","10.119","0.001","90","","90","","120","","1724","0.4","293","","293","","","","","","","","","3","P 32","P 32","145","","","","- F4 K Yb -","- F4 K Yb -","- F72 K18 Yb18 -","18","6","","Grzechnik, Andrzej; Khaidukov, Nicholas; Friese, Karen","Crystal structures and stability of trigonal KLnF4 fluorides (Ln = Y, Ho, Er, Tm, Yb).","Dalton transactions (Cambridge, England : 2003)","2013","42","2","441","447","10.1039/c2dt31483e","","x-ray","0.4","","","0.0587","0.0381","","","0.0353","0.0384","","","","1.18","1.18","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020659","12.489","0.0009","14.5862","0.001","16.8809","0.0012","92.949","0.004","105.014","0.004","107.242","0.004","2809.1","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","x82978","","","- C20.75 H27.5 B9 Cl1.5 N O3 P Rh -","- C20.75 H27.5 B9 Cl1.5 N O3 P Rh -","- C83 H110 B36 Cl6 N4 O12 P4 Rh4 -","4","2","","McAnaw, Amelia; Scott, Greig; Elrick, Lisa; Rosair, Georgina M.; Welch, Alan J.","The VCD method‒a simple and reliable way to distinguish cage C and B atoms in (hetero)carborane structures determined crystallographically.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","645","664","10.1039/c2dt31515g","","","0.71073","MoKα","","0.1003","0.0555","","","0.1227","0.1488","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020660","9.767","0.0006","12.122","0.0007","19.3752","0.0012","75.731","0.003","80.599","0.003","71.411","0.003","2098.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","x82886","","","- C39 H44 B9 Cl2 P2 Rh -","- C39 H44 B9 Cl2 P2 Rh -","- C78 H88 B18 Cl4 P4 Rh2 -","2","1","","McAnaw, Amelia; Scott, Greig; Elrick, Lisa; Rosair, Georgina M.; Welch, Alan J.","The VCD method‒a simple and reliable way to distinguish cage C and B atoms in (hetero)carborane structures determined crystallographically.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","645","664","10.1039/c2dt31515g","","","0.71073","MoKα","","0.0489","0.0375","","","0.0872","0.0915","","","","","","1.086","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020661","7.0221","0.0011","9.8594","0.0015","15.571","0.002","78.819","0.008","84.528","0.009","76.945","0.009","1028.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 B10 Co2 -","- C20 H26 B10 Co2 -","- C40 H52 B20 Co4 -","2","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","The synthesis and characterisation of homo- and heterobimetallic 1,14,2,9- and 1,14,2,10-M2C2B10 14-vertex metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","671","679","10.1039/c2dt31598j","","","0.71073","MoKα","","0.0623","0.038","","","0.0885","0.098","","","","","","1.004","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020662","10.756","0.003","12.979","0.004","13.306","0.004","90","","96.352","0.011","90","","1846.1","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 B10 Co2 -","- C14 H26 B10 Co2 -","- C56 H104 B40 Co8 -","4","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","The synthesis and characterisation of homo- and heterobimetallic 1,14,2,9- and 1,14,2,10-M2C2B10 14-vertex metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","671","679","10.1039/c2dt31598j","","","0.71073","MoKα","","0.1125","0.0649","","","0.1497","0.1681","","","","","","1.142","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020663","9.0411","0.0005","12.2634","0.0007","19.076","0.0011","90","","101.843","0.003","90","","2070","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 B10 Co2 -","- C20 H26 B10 Co2 -","- C80 H104 B40 Co8 -","4","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","The synthesis and characterisation of homo- and heterobimetallic 1,14,2,9- and 1,14,2,10-M2C2B10 14-vertex metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","671","679","10.1039/c2dt31598j","","","0.71073","MoKα","","0.0502","0.0357","","","0.0899","0.097","","","","","","1.03","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020664","7.0589","0.0014","7.9167","0.0014","15.3833","0.0016","85.064","0.003","81.69","0.03","73.15","0.03","813.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H22 B10 Co2 -","- C12 H22 B10 Co2 -","- C24 H44 B20 Co4 -","2","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","The synthesis and characterisation of homo- and heterobimetallic 1,14,2,9- and 1,14,2,10-M2C2B10 14-vertex metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","671","679","10.1039/c2dt31598j","","","0.71073","MoKα","","0.0694","0.0447","","","0.1132","0.1234","","","","","","0.999","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020665","8.1374","0.0016","9.1518","0.0018","14.462","0.003","77.9","0.03","87.61","0.03","79.33","0.03","1034.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H31 B10 Co Ru -","- C17 H31 B10 Co Ru -","- C34 H62 B20 Co2 Ru2 -","2","1","","McAnaw, Amelia; Lopez, Maria Elena; Ellis, David; Rosair, Georgina M.; Welch, Alan J.","The synthesis and characterisation of homo- and heterobimetallic 1,14,2,9- and 1,14,2,10-M2C2B10 14-vertex metallacarboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","671","679","10.1039/c2dt31598j","","","0.71073","MoKα","","0.0737","0.0471","","","0.1189","0.134","","","","","","0.946","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020666","8.8864","0.0001","9.7707","0.0001","10.0786","0.0001","106.243","0.001","91.624","0.001","96.606","0.001","832.898","0.016","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 B2 Fe2 O2 -","- C20 H18 B2 Fe2 O2 -","- C40 H36 B4 Fe4 O4 -","2","1","","Thilagar, Pakkirisamy; Murillo, Didier; Chen, Jiawei; Jäkle, Frieder","Synthesis and supramolecular assembly of the bifunctional borinic acid [1,2-fcB(OH)]2.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","665","670","10.1039/c2dt31625k","","","1.54178","CuKα","","0.0471","0.0415","","","0.1159","0.1213","","","","","","1.061","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020667","10.6092","0.0002","10.8863","0.0003","10.9983","0.0002","100.045","0.001","116.13","0.001","106.551","0.001","1024.66","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 B2 Fe2 O3 -","- C23 H24 B2 Fe2 O3 -","- C46 H48 B4 Fe4 O6 -","2","1","","Thilagar, Pakkirisamy; Murillo, Didier; Chen, Jiawei; Jäkle, Frieder","Synthesis and supramolecular assembly of the bifunctional borinic acid [1,2-fcB(OH)]2.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","665","670","10.1039/c2dt31625k","","","1.54178","CuKα","","0.0348","0.033","","","0.0878","0.0892","","","","","","1.038","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020668","10.7078","0.0001","10.8715","0.0001","11.2219","0.0002","108.085","0.001","99.093","0.001","115.672","0.001","1051.97","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 B2 Fe2 O3 -","- C24 H26 B2 Fe2 O3 -","- C48 H52 B4 Fe4 O6 -","2","1","","Thilagar, Pakkirisamy; Murillo, Didier; Chen, Jiawei; Jäkle, Frieder","Synthesis and supramolecular assembly of the bifunctional borinic acid [1,2-fcB(OH)]2.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","665","670","10.1039/c2dt31625k","","","1.54178","CuKα","","0.0313","0.0272","","","0.0686","0.0707","","","","","","1.023","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020669","10.1632","0.0003","11.6968","0.0004","16.2939","0.0005","90","","104.347","0.002","90","","1876.56","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 B2 Fe2 O2 -","- C22 H22 B2 Fe2 O2 -","- C88 H88 B8 Fe8 O8 -","4","1","","Thilagar, Pakkirisamy; Murillo, Didier; Chen, Jiawei; Jäkle, Frieder","Synthesis and supramolecular assembly of the bifunctional borinic acid [1,2-fcB(OH)]2.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","665","670","10.1039/c2dt31625k","","","1.54178","CuKα","","0.0329","0.0288","","","0.0735","0.0755","","","","","","1.035","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020670","22.1438","0.0008","22.1438","0.0008","6.708","0.0003","90","","90","","90","","3289.3","0.2","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C14 H8 Cl2 N2 O4 Rh2 -","- C14 H8 Cl2 N2 O4 Rh2 -","- C112 H64 Cl16 N16 O32 Rh16 -","8","1","","Laurila, Elina; Oresmaa, Larisa; Hassinen, Jorma; Hirva, Pipsa; Haukka, Matti","Neutral one-dimensional metal chains consisting of alternating anionic and cationic rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","395","398","10.1039/c2dt31671d","","","0.71073","MoKα","","0.029","0.0247","","","0.0507","0.0522","","","","","","1.042","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020671","6.5652","0.0001","16.7058","0.0004","16.9994","0.0004","72.608","0.001","80.934","0.001","86.511","0.001","1756.79","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 Cl2 N2 O4 Rh2 -","- C16 H8 Cl2 N2 O4 Rh2 -","- C64 H32 Cl8 N8 O16 Rh8 -","4","2","","Laurila, Elina; Oresmaa, Larisa; Hassinen, Jorma; Hirva, Pipsa; Haukka, Matti","Neutral one-dimensional metal chains consisting of alternating anionic and cationic rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","395","398","10.1039/c2dt31671d","","","0.71073","MoKα","","0.0435","0.0269","","","0.0508","0.0549","","","","","","1.014","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020672","8.7104","0.0011","11.2066","0.0014","14.5161","0.0019","96.101","0.003","90.288","0.003","107.315","0.002","1344.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 Cl4 N4 O2 Rh2 -","- C26 H16 Cl4 N4 O2 Rh2 -","- C52 H32 Cl8 N8 O4 Rh4 -","2","1","","Laurila, Elina; Oresmaa, Larisa; Hassinen, Jorma; Hirva, Pipsa; Haukka, Matti","Neutral one-dimensional metal chains consisting of alternating anionic and cationic rhodium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","395","398","10.1039/c2dt31671d","","","0.71073","MoKα","","0.0537","0.0382","","","0.0847","0.0925","","","","","","1.041","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020673","8.333","0.0005","9.7967","0.0006","11.514","0.0007","112.133","0.001","97.526","0.001","101.004","0.001","833.14","0.09","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H31 F8.38 N10 O4.42 P1.4 Re1.61 -","- C22 H31 F8.37 N10 O4.42 P1.395 Re1.605 -","- C22 H31 F8.37 N10 O4.42 P1.395 Re1.605 -","1","0.5","","Lum, Regina; Zhang, Hu; Zhang, Wenhua; Bai, Shi-Qiang; Zhao, Jin; Hor, T. S. Andy","Trans [O=Re(V)-OH] core stabilised by chelating N-heterocyclic dicarbene ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","871","873","10.1039/c2dt31681a","","","0.71073","MoKα","","0.0407","0.0386","","","0.0915","0.0925","","","","","","1.243","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020674","9.0425","0.001","17.8358","0.0019","11.7838","0.0013","90","","110.328","0.003","90","","1782.1","0.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C26 H41 F8.44 N8 O4.37 P1.41 Re1.59 -","- C26 H41 F8.442 N8 O4.372 P1.407 Re1.593 -","- C52 H82 F16.884 N16 O8.744 P2.814 Re3.186 -","2","1","","Lum, Regina; Zhang, Hu; Zhang, Wenhua; Bai, Shi-Qiang; Zhao, Jin; Hor, T. S. Andy","Trans [O=Re(V)-OH] core stabilised by chelating N-heterocyclic dicarbene ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","871","873","10.1039/c2dt31681a","","","0.71073","MoKα","","0.045","0.0444","","","0.1039","0.1042","","","","","","1.27","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020675","11.6582","0.0006","11.1157","0.0006","22.0292","0.0012","90","","102.791","0.001","90","","2783.9","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H53 F7.8 N12 O4.8 P1.3 Re1.7 -","- C50 H53 F7.7976 N12 O4.8016 P1.2996 Re1.7004 -","- C100 H106 F15.5952 N24 O9.6032 P2.5992 Re3.4008 -","2","0.5","","Lum, Regina; Zhang, Hu; Zhang, Wenhua; Bai, Shi-Qiang; Zhao, Jin; Hor, T. S. Andy","Trans [O=Re(V)-OH] core stabilised by chelating N-heterocyclic dicarbene ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","871","873","10.1039/c2dt31681a","","","0.71073","MoKα","","0.0827","0.0611","","","0.1285","0.1373","","","","","","1.108","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020676","12.2927","0.0004","20.7303","0.0007","13.1062","0.0004","90","","106.726","0.001","90","","3198.57","0.18","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 N2 Pt S8 -","- C32 H26 N2 Pt S8 -","- C128 H104 N8 Pt4 S32 -","4","1","","Vacher, Antoine; Barrière, Frédéric; Camerel, Franck; Bergamini, Jean-François; Roisnel, Thierry; Lorcy, Dominique","Cis and trans-bis(tetrathiafulvalene-acetylide) platinum(II) complexes: syntheses, crystal structures, and influence of the ancillary ligands on their electronic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","383","394","10.1039/c2dt31686b","","x-ray","0.71073","MoKα","","0.0665","0.0352","","","0.0678","0.0776","","","","","","1.04","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020677","17.6121","0.0012","21.4397","0.0014","38.038","0.002","90","","90","","90","","14363.1","1.6","150","2","150","2","","","","","","","synthesis as described","5","P c m n","-P 2n 2ac","62","","","","- C80 H84 N4 Pt2 S16 -","- C80 H84 N4 Pt2 S16 -","- C480 H504 N24 Pt12 S96 -","6","0.75","","Vacher, Antoine; Barrière, Frédéric; Camerel, Franck; Bergamini, Jean-François; Roisnel, Thierry; Lorcy, Dominique","Cis and trans-bis(tetrathiafulvalene-acetylide) platinum(II) complexes: syntheses, crystal structures, and influence of the ancillary ligands on their electronic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","383","394","10.1039/c2dt31686b","","x-ray","0.71073","MoKα","","0.101","0.0523","","","0.1174","0.1297","","","","","","0.977","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020678","9.2106","0.0009","11.4614","0.0009","15.8523","0.0013","103.405","0.004","102.101","0.004","105.756","0.005","1498.8","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C62 H54 N2 P2 Pt S8 -","- C62 H54 N2 P2 Pt S8 -","- C62 H54 N2 P2 Pt S8 -","1","0.5","","Vacher, Antoine; Barrière, Frédéric; Camerel, Franck; Bergamini, Jean-François; Roisnel, Thierry; Lorcy, Dominique","Cis and trans-bis(tetrathiafulvalene-acetylide) platinum(II) complexes: syntheses, crystal structures, and influence of the ancillary ligands on their electronic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","383","394","10.1039/c2dt31686b","","x-ray","0.71073","MoKα","","0.0346","0.0318","","","0.0735","0.0749","","","","","","1.072","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020679","12.5211","0.0004","23.704","0.0008","33.0267","0.0011","90","","90","","90","","9802.3","0.6","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H42 P2 Pt S8 -","- C48 H42 P2 Pt S8 -","- C384 H336 P16 Pt8 S64 -","8","2","","Vacher, Antoine; Barrière, Frédéric; Camerel, Franck; Bergamini, Jean-François; Roisnel, Thierry; Lorcy, Dominique","Cis and trans-bis(tetrathiafulvalene-acetylide) platinum(II) complexes: syntheses, crystal structures, and influence of the ancillary ligands on their electronic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","383","394","10.1039/c2dt31686b","","x-ray","0.71073","MoKα","","0.0621","0.0433","","","0.0905","0.0959","","","","","","1.001","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020680","26.561","0.006","13.365","0.002","23.205","0.007","90","","115.331","0.01","90","","7445","3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bis(acetonitrile)(1,4,7,10,13,16- hexaoxacyclooctadecane)calcium(ii) bis(hexachloro)antimonate(V)","bis(acetonitrile)(1,4,7,10,13,16-hexaoxacyclooctadecane)calcium(II) bis(hexachloro)antimonate(V)","","- C16 H30 Ca Cl12 N2 O6 Sb2 -","- C16 H30 Ca Cl12 N2 O6 Sb2 -","- C128 H240 Ca8 Cl96 N16 O48 Sb16 -","8","2","","Farina, Paolo; Levason, William; Reid, Gillian","s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","89","99","10.1039/c2dt31692g","","","0.71073","MoKα","","0.0794","0.0622","","","0.1574","0.1784","","","","","","1.048","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020681","14.57","0.004","8.595","0.002","19.596","0.008","90","","103.51","0.03","90","","2386.1","1.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","aquo(1,4,7,10,13,16-hexaoxacyclooctadecane)- bis(trifluoromethanesulfonate)calcium(ii)","aquo(1,4,7,10,13,16-hexaoxacyclooctadecane)- bis(trifluoromethanesulfonate)calcium(II)","","- C14 H26 Ca F6 O13 S2 -","- C14 H26 Ca F6 O13 S2 -","- C56 H104 Ca4 F24 O52 S8 -","4","0.5","","Farina, Paolo; Levason, William; Reid, Gillian","s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","89","99","10.1039/c2dt31692g","","","0.71073","MoKα","","0.0392","0.0306","","","0.0681","0.071","","","","","","1.044","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020682","14.855","0.004","9.4","0.003","17.855","0.006","90","","90","","90","","2493.2","1.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane- bis(trifluoromethanesulfonate)calcium(ii)","1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane- bis(trifluoromethanesulfonate)calcium(II)","","- C14 H24 Ca F6 O10 S4 -","- C14 H24 Ca F6 O10 S4 -","- C56 H96 Ca4 F24 O40 S16 -","4","1","","Farina, Paolo; Levason, William; Reid, Gillian","s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","89","99","10.1039/c2dt31692g","","","0.71073","MoKα","","0.0679","0.0475","","","0.0915","0.1011","","","","","","1.038","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020683","17.076","0.004","8.297","0.0018","15.745","0.004","90","","91.464","0.012","90","","2230","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Diiodo(1,10-dioxa-4,7,13,16- tetrathiacyclooctadecane)calcium(ii) dichloromethane solvate","Diiodo(1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane)calcium(II) dichloromethane solvate","","- C12.5 H25 Ca Cl I2 O2 S4 -","- C12.5 H25 Ca Cl I2 O2 S4 -","- C50 H100 Ca4 Cl4 I8 O8 S16 -","4","1","","Farina, Paolo; Levason, William; Reid, Gillian","s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","89","99","10.1039/c2dt31692g","","","0.71073","MoKα","","0.0876","0.0523","","","0.0987","0.1139","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020684","10.027","0.004","13.924","0.005","12.848","0.005","90","","101.82","0.04","90","","1755.8","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","diiodo(1,4,7-trioxa-10,13-dithiacyclopentadecane)calcium(ii)","diiodo(1,4,7-trioxa-10,13-dithiacyclopentadecane)calcium(II)","","- C10 H20 Ca I2 O3 S2 -","- C10 H20 Ca I2 O3 S2 -","- C40 H80 Ca4 I8 O12 S8 -","4","1","","Farina, Paolo; Levason, William; Reid, Gillian","s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","89","99","10.1039/c2dt31692g","","","0.71073","MoKα","","0.0538","0.0438","","","0.1098","0.1191","","","","","","0.989","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020685","9.313","0.003","11.947","0.004","19.736","0.007","90","","90","","90","","2195.9","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Diaqua-1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane-calcium diiodide","Diaqua-1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane-calcium diiodide","","- C12 H28 Ca I2 O6 S2 -","- C12 H26 Ca I2 O6 S2 -","- C48 H104 Ca4 I8 O24 S8 -","4","1","","Farina, Paolo; Levason, William; Reid, Gillian","s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","89","99","10.1039/c2dt31692g","","","0.71073","MoKα","","0.1102","0.0517","","","0.0679","0.078","","","","","","0.915","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020686","6.933","0.004","13.419","0.007","8.573","0.004","90","","102.489","0.007","90","","778.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane","1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane","","- C12 H24 O4 Se2 -","- C12 H24 O4 Se2 -","- C24 H48 O8 Se4 -","2","0.5","","Farina, Paolo; Levason, William; Reid, Gillian","s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","89","99","10.1039/c2dt31692g","","","0.71073","MoKα","","0.0838","0.0349","","","0.055","0.0594","","","","","","0.652","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020687","10.808","0.003","11.798","0.003","15.203","0.004","90","","93.04","0.007","90","","1935.8","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","diiodo(1,4,10,13-tetraoxa-7,16- diselenacyclooctadecane)calcium(ii)","diiodo(1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane)calcium(II)","","- C12 H24 Ca I2 O4 Se2 -","- C12 H24 Ca I2 O4 Se2 -","- C48 H96 Ca4 I8 O16 Se8 -","4","0.5","","Farina, Paolo; Levason, William; Reid, Gillian","s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","89","99","10.1039/c2dt31692g","","","0.71073","MoKα","","0.0883","0.0573","","","0.1046","0.1199","","","","","","1.051","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020688","10.23","0.0018","14.005","0.002","16.244","0.003","90","","91.305","0.006","90","","2326.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trisaqua(1,4,10,13-tetraoxa-7,16- diselenacyclooctadecane)strontium(ii) iodide","trisaqua(1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane)strontium(II) iodide","","- C12 H30 I2 O7 Se2 Sr -","- C12 H24 I2 O7 Se2 Sr -","- C48 H96 I8 O28 Se8 Sr4 -","4","1","","Farina, Paolo; Levason, William; Reid, Gillian","s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","89","99","10.1039/c2dt31692g","","","0.71073","MoKα","","0.1527","0.0866","","","0.2043","0.2391","","","","","","1.042","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020689","9.506","0.004","17.63","0.007","12.782","0.005","90","","92.101","0.007","90","","2140.7","1.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","trisaqua(1,4,7-trioxa-10,13-dithiacyclopentadecane)strontium iodide","trisaqua(1,4,7-trioxa-10,13-dithiacyclopentadecane)strontium iodide","","- C10 H26 I2 O6 S2 Sr -","- C10 H20 I2 O6 S2 Sr -","- C40 H80 I8 O24 S8 Sr4 -","4","1","","Farina, Paolo; Levason, William; Reid, Gillian","s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","89","99","10.1039/c2dt31692g","","","0.71073","MoKα","","0.101","0.0617","","","0.1323","0.1496","","","","","","1.037","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020690","10.452","0.004","18.58","0.007","13.866","0.005","90","","112.182","0.006","90","","2493.5","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","trisaqua(1,4,10,13-tetraoxa-7,16- dithiacyclooctadecane)strontium iodide hydrate","trisaqua(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)strontium iodide hydrate","","- C12 H32 I2 O8 S2 Sr -","- C12 H24 I2 O8 S2 Sr -","- C48 H96 I8 O32 S8 Sr4 -","4","1","","Farina, Paolo; Levason, William; Reid, Gillian","s-Block chalcogenoether chemistry‒thio- and selenoether coordination with hard Group 2 ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","89","99","10.1039/c2dt31692g","","","0.71073","MoKα","","0.1233","0.0662","","","0.1364","0.1578","","","","","","1.009","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020691","10.5064","0.0002","12.1604","0.0003","19.8038","0.0004","74.81","0.001","77.868","0.001","86.53","0.001","2387.2","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H70 N4 O2 Si4 U -","- C38 H70 N4 O2 Si4 U -","- C76 H140 N8 O4 Si8 U2 -","2","1","","Arnold, Polly L.; Turner, Zöe R; Germeroth, Anne I.; Casely, Ian J.; Nichol, Gary S.; Bellabarba, Ronan; Tooze, Robert P.","Carbon monoxide and carbon dioxide insertion chemistry of f-block N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1333","1337","10.1039/c2dt31698f","","","0.71073","MoKα","","0.0423","0.0391","","","0.092","0.0934","","","","","","1.132","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020692","13.3289","0.0004","21.2931","0.0007","18.7423","0.0006","90","","97.586","0.0019","90","","5272.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H78 N5 O Si4 U -","- C47 H78 N5 O Si4 U -","- C188 H312 N20 O4 Si16 U4 -","4","1","","Arnold, Polly L.; Turner, Zöe R; Germeroth, Anne I.; Casely, Ian J.; Nichol, Gary S.; Bellabarba, Ronan; Tooze, Robert P.","Carbon monoxide and carbon dioxide insertion chemistry of f-block N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1333","1337","10.1039/c2dt31698f","","","0.71073","MoKα","","0.052","0.0425","","","0.0968","0.1015","","","","","","1.067","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020693","15.4451","0.0003","13.4503","0.0003","9.54082","0.00018","90","","90","","90","","1982.02","0.07","183","2","183","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H16 Br2 Co N4 O -","- C21 H16 Br2 Co N4 O -","- C84 H64 Br8 Co4 N16 O4 -","4","1","","Guttentag, Miguel; Rodenberg, Alexander; Bachmann, Cyril; Senn, Anna; Hamm, Peter; Alberto, Roger","A highly stable polypyridyl-based cobalt catalyst for homo- and heterogeneous photocatalytic water reduction.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","334","337","10.1039/c2dt31699d","","","0.71073","MoKα","","0.0442","0.029","","","0.0434","0.0447","","","","","","0.858","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020694","14.442","0.004","15.224","0.005","15.864","0.005","93.38","0.004","111.54","0.004","112.544","0.004","2914.3","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H104 Cu2 N12 Ni30 O34 -","- C86 H104 Cu2 N12 Ni30 O34 -","- C86 H104 Cu2 N12 Ni30 O34 -","1","0.5","","Bernardi, Alessandro; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Ni-Cu tetracarbide carbonyls with vacant Ni(CO) fragments as borderline compounds between molecular and quasi-molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","407","421","10.1039/c2dt31719b","","","0.71073","MoKα","","0.1498","0.081","","","0.1996","0.2426","","","","","","0.99","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020695","13.052","0.002","14.748","0.002","26.286","0.004","76.574","0.002","78.548","0.002","75.362","0.002","4708.9","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H42 Cu2 N14 Ni30 O32 -","- C64 H42 Cu2 N14 Ni30 O32 -","- C128 H84 Cu4 N28 Ni60 O64 -","2","1","","Bernardi, Alessandro; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Ni-Cu tetracarbide carbonyls with vacant Ni(CO) fragments as borderline compounds between molecular and quasi-molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","407","421","10.1039/c2dt31719b","","","0.71073","MoKα","","0.1222","0.0534","","","0.1247","0.157","","","","","","1.008","","","","has coordinates","179910","2020-10-21","18:00:00",""
"7020696","13.3364","0.0017","14.2554","0.0018","28.39","0.004","82.446","0.002","80.021","0.002","62.906","0.001","4723.9","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H54 Cu2 N2 Ni30 O42 -","- C66 H54 Cu2 N2 Ni30 O42 -","- C132 H108 Cu4 N4 Ni60 O84 -","2","1","","Bernardi, Alessandro; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Ni-Cu tetracarbide carbonyls with vacant Ni(CO) fragments as borderline compounds between molecular and quasi-molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","407","421","10.1039/c2dt31719b","","","0.71073","MoKα","","0.1725","0.0823","","","0.1976","0.2315","","","","","","1.027","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020697","14.527","0.003","14.905","0.003","23.375","0.004","76.004","0.002","86.889","0.002","78.607","0.002","4814.1","1.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C63.56 H57.11 Cu2 N4 Ni29.33 O37.39 -","- C63.564 H57.128 Cu2 N4 Ni29.328 O37.391 -","- C127.128 H114.256 Cu4 N8 Ni58.656 O74.782 -","2","1","","Bernardi, Alessandro; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Ni-Cu tetracarbide carbonyls with vacant Ni(CO) fragments as borderline compounds between molecular and quasi-molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","407","421","10.1039/c2dt31719b","","","0.71073","MoKα","","0.1375","0.0844","","","0.2561","0.306","","","","","","1.058","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020698","25.515","0.003","14.9373","0.0019","29.835","0.004","90","","99.577","0.002","90","","11212","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C75.98 H65 Cu2 N7 Ni29.48 O36.98 -","- C75.98 H65 Cu2 N7 Ni29.48 O36.98 -","- C303.92 H260 Cu8 N28 Ni117.92 O147.92 -","4","0.5","","Bernardi, Alessandro; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Ni-Cu tetracarbide carbonyls with vacant Ni(CO) fragments as borderline compounds between molecular and quasi-molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","407","421","10.1039/c2dt31719b","","","0.71073","MoKα","","0.2143","0.1013","","","0.2437","0.3148","","","","","","1.035","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020699","22.493","0.003","18.848","0.002","21.768","0.003","90","","90","","90","","9229","2","295","2","295","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C62 H60 Cu2 N8 Ni30 O34 -","- C62 H60 Cu2 N8 Ni30 O34 -","- C248 H240 Cu8 N32 Ni120 O136 -","4","0.5","","Bernardi, Alessandro; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Ni-Cu tetracarbide carbonyls with vacant Ni(CO) fragments as borderline compounds between molecular and quasi-molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","407","421","10.1039/c2dt31719b","","","0.71073","MoKα","","0.181","0.0704","","","0.1611","0.2407","","","","","","1.059","","","","has coordinates,has disorder","179910","2020-10-21","18:00:00",""
"7020700","14.3288","0.0009","29.4515","0.0019","14.844","0.0009","90","","118.007","0.001","90","","5530.6","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H90 Cu2 N6 Ni30 O40 -","- C76 H90 Cu2 N6 Ni30 O40 -","- C152 H180 Cu4 N12 Ni60 O80 -","2","0.5","","Bernardi, Alessandro; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Ni-Cu tetracarbide carbonyls with vacant Ni(CO) fragments as borderline compounds between molecular and quasi-molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","407","421","10.1039/c2dt31719b","","","0.71073","MoKα","","0.1078","0.0731","","","0.1847","0.2126","","","","","","1.017","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020701","14.2042","0.0009","14.8781","0.001","28.1762","0.0018","89.414","0.001","89.103","0.001","62.473","0.001","5279.7","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C85.65 H76 Cu2 N8 Ni29.65 O33.66 -","- C85.651 H76 Cu2 N8 Ni29.651 O33.651 -","- C171.302 H152 Cu4 N16 Ni59.302 O67.302 -","2","1","","Bernardi, Alessandro; Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Ni-Cu tetracarbide carbonyls with vacant Ni(CO) fragments as borderline compounds between molecular and quasi-molecular clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","407","421","10.1039/c2dt31719b","","","0.71073","MoKα","","0.0732","0.0412","","","0.083","0.0945","","","","","","1.025","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020702","16.6963","0.0015","16.6963","0.0015","14.714","0.0013","90","","90","","90","","4101.8","0.6","100","2","100","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C78 H60 N12 O22 Zn8 -","- C78 H60 N12 O22 Zn8 -","- C156 H120 N24 O44 Zn16 -","2","0.25","","Kielland, Nicola; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Kleij, Arjan W.","Unsymmetrical octanuclear Schiff base clusters: synthesis, characterization and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1427","1436","10.1039/c2dt31723k","","","0.71073","MoKα","","0.1175","0.0571","","","0.1519","0.1911","","","","","","1.147","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020703","57.3214","0.0015","57.3214","0.0015","15.4613","0.0005","90","","90","","120","","43996","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C39.75 H27.25 N6 O10 Zn4 -","- C39.75 H27.25 N6 O10 Zn4 -","- C1431 H981 N216 O360 Zn144 -","36","2","","Kielland, Nicola; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Kleij, Arjan W.","Unsymmetrical octanuclear Schiff base clusters: synthesis, characterization and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1427","1436","10.1039/c2dt31723k","","","0.71073","MoKα","","0.0766","0.0643","","","0.1724","0.1815","","","","","","1.046","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020704","7.7184","0.0006","12.6232","0.0007","18.4245","0.0014","90","","91.13","0.006","90","","1794.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 B Cl Fe Zr -","- C20 H22 B Cl Fe Zr -","- C80 H88 B4 Cl4 Fe4 Zr4 -","4","1","","Reichert, Adelina; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ferrocenyl(trihydro)borates: building blocks for the synthesis of heterooligonuclear metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","688","694","10.1039/c2dt31732j","","","0.71073","MoKα","","0.0388","0.0316","","","0.0771","0.0797","","","","","","1.017","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020705","7.8828","0.0005","12.3274","0.0008","17.704","0.0012","90","","95.903","0.006","90","","1711.25","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 B Fe Zr -","- C20 H23 B Fe Zr -","- C80 H92 B4 Fe4 Zr4 -","4","1","","Reichert, Adelina; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ferrocenyl(trihydro)borates: building blocks for the synthesis of heterooligonuclear metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","688","694","10.1039/c2dt31732j","","","0.71073","MoKα","","0.0775","0.0419","","","0.077","0.0851","","","","","","0.885","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020706","7.6961","0.0005","11.9241","0.0007","14.5443","0.0009","79.726","0.005","78.431","0.005","88.685","0.005","1286.52","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 B2 Fe2 Zr -","- C30 H34 B2 Fe2 Zr -","- C60 H68 B4 Fe4 Zr2 -","2","1","","Reichert, Adelina; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ferrocenyl(trihydro)borates: building blocks for the synthesis of heterooligonuclear metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","688","694","10.1039/c2dt31732j","","","0.71073","MoKα","","0.0452","0.0304","","","0.0603","0.063","","","","","","0.9","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020707","6.5811","0.0003","20.6944","0.0011","23.8678","0.0013","90","","90.26","0.004","90","","3250.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H41 B3 Fe3 Zr -","- C35 H41 B3 Fe3 Zr -","- C140 H164 B12 Fe12 Zr4 -","4","1","","Reichert, Adelina; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ferrocenyl(trihydro)borates: building blocks for the synthesis of heterooligonuclear metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","688","694","10.1039/c2dt31732j","","","0.71073","MoKα","","0.1171","0.0716","","","0.1546","0.1718","","","","","","0.921","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020708","7.7895","0.0007","23.372","0.0019","20.47","0.002","90","","90.081","0.008","90","","3726.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H51 B3 Fe3 Zr -","- C40 H51 B3 Fe3 Zr -","- C160 H204 B12 Fe12 Zr4 -","4","1","","Reichert, Adelina; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ferrocenyl(trihydro)borates: building blocks for the synthesis of heterooligonuclear metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","688","694","10.1039/c2dt31732j","","","0.71073","MoKα","","0.1281","0.0598","","","0.1134","0.1328","","","","","","0.866","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020709","12.0793","0.0004","13.6685","0.0005","35.3514","0.001","90","","90","","90","","5836.7","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H34 B2 Cl2 Fe Zr2 -","- C30 H34 B2 Cl2 Fe Zr2 -","- C240 H272 B16 Cl16 Fe8 Zr16 -","8","1","","Reichert, Adelina; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Ferrocenyl(trihydro)borates: building blocks for the synthesis of heterooligonuclear metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","688","694","10.1039/c2dt31732j","","","0.71073","MoKα","","0.0501","0.0362","","","0.0805","0.0852","","","","","","0.944","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020710","27.7049","0.0007","9.8068","0.0002","13.6633","0.0005","90","","93.373","0.002","90","","3705.84","0.18","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 B F5 N -","- C19 H23 B F5 N -","- C152 H184 B8 F40 N8 -","8","1","","Erdmann, Markus; Rösener, Christian; Holtrichter-Rößmann, Thorsten; Daniliuc, Constantin G.; Fröhlich, Roland; Uhl, Werner; Würthwein, Ernst-Ulrich; Kehr, Gerald; Erker, Gerhard","Functional group chemistry at intramolecular frustrated Lewis pairs: substituent exchange at the Lewis acid site with 9-BBN.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","709","718","10.1039/c2dt31737k","","","1.54178","CuKα","","0.0395","0.0384","","","0.1002","0.1013","","","","","","1.031","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020711","17.452","0.0003","11.51","0.0002","16.686","0.0005","90","","98.408","0.001","90","","3315.73","0.13","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 B F5 N P -","- C36 H40 B F5 N P -","- C144 H160 B4 F20 N4 P4 -","4","1","","Erdmann, Markus; Rösener, Christian; Holtrichter-Rößmann, Thorsten; Daniliuc, Constantin G.; Fröhlich, Roland; Uhl, Werner; Würthwein, Ernst-Ulrich; Kehr, Gerald; Erker, Gerhard","Functional group chemistry at intramolecular frustrated Lewis pairs: substituent exchange at the Lewis acid site with 9-BBN.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","709","718","10.1039/c2dt31737k","","","1.54178","CuKα","","0.0726","0.0535","","","0.1277","0.1418","","","","","","1.028","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020712","10.848","0.002","13.014","0.003","19.466","0.004","95.9","0.03","92.54","0.03","110.5","0.03","2550.9","1.1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H57 B F5 N P2 -","- C51 H57 B F5 N P2 -","- C102 H114 B2 F10 N2 P4 -","2","1","","Erdmann, Markus; Rösener, Christian; Holtrichter-Rößmann, Thorsten; Daniliuc, Constantin G.; Fröhlich, Roland; Uhl, Werner; Würthwein, Ernst-Ulrich; Kehr, Gerald; Erker, Gerhard","Functional group chemistry at intramolecular frustrated Lewis pairs: substituent exchange at the Lewis acid site with 9-BBN.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","709","718","10.1039/c2dt31737k","","","1.54178","CuKα","","0.1233","0.0669","","","0.1545","0.1763","","","","","","1.038","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020713","10.2424","0.0005","10.8886","0.0006","13.5329","0.0006","70.176","0.004","88.676","0.004","68.055","0.004","1307.62","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H46 Al B N2 Si -","- C22 H46 Al B N2 Si -","- C44 H92 Al2 B2 N4 Si2 -","2","1","","Erdmann, Markus; Rösener, Christian; Holtrichter-Rößmann, Thorsten; Daniliuc, Constantin G.; Fröhlich, Roland; Uhl, Werner; Würthwein, Ernst-Ulrich; Kehr, Gerald; Erker, Gerhard","Functional group chemistry at intramolecular frustrated Lewis pairs: substituent exchange at the Lewis acid site with 9-BBN.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","709","718","10.1039/c2dt31737k","","","0.71073","MoKα","","0.0629","0.0386","","","0.084","0.0895","","","","","","0.909","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020714","36.3887","0.0006","15.4752","0.0002","16.0031","0.0002","90","","90","","90","","9011.7","0.2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C51.5 H47 N4 O4 P2 Rh -","- C51.5 H47 N4 O4 P2 Rh -","- C412 H376 N32 O32 P16 Rh8 -","8","2","","Boymans, Evert; Janssen, Michèle; Müller, Christian; Lutz, Martin; Vogt, Dieter","Rh-catalyzed linear hydroformylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","137","142","10.1039/c2dt31738a","","","0.71073","MoKα","","0.0367","0.0278","","","0.0601","0.0638","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020715","11.9548","0.0003","13.3","0.0003","15.4312","0.0004","84.487","0.002","74.345","0.001","65.005","0.002","2140.81","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H51 N4 O5 P2 Rh -","- C44 H51 N4 O5 P2 Rh -","- C88 H102 N8 O10 P4 Rh2 -","2","1","","Boymans, Evert; Janssen, Michèle; Müller, Christian; Lutz, Martin; Vogt, Dieter","Rh-catalyzed linear hydroformylation of styrene.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","137","142","10.1039/c2dt31738a","","","0.71073","MoKα","","0.0264","0.0224","","","0.0559","0.0579","","","","","","1.028","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020716","11.7586","0.0006","12.7204","0.0006","23.849","0.0012","90","","90","","90","","3567.2","0.3","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H27 B11 N2 Sn -","- C8 H27 B11 N2 Sn -","- C64 H216 B88 N16 Sn8 -","8","1","","Wütz, Tobias; Fleischhauer, Sebastian; Wesemann, Lars","B-N bond formation at stanna-closo-dodecaborate.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","753","758","10.1039/c2dt31749d","","","0.71073","MoKα","","0.0476","0.0417","","","0.1013","0.1046","","","","","","1.142","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020717","11.7237","0.0004","12.1615","0.0004","25.9327","0.0009","90","","90","","90","","3697.4","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H31 B11 N2 Sn -","- C8 H31 B11 N2 Sn -","- C64 H248 B88 N16 Sn8 -","8","1","","Wütz, Tobias; Fleischhauer, Sebastian; Wesemann, Lars","B-N bond formation at stanna-closo-dodecaborate.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","753","758","10.1039/c2dt31749d","","","0.71073","MoKα","","0.029","0.0254","","","0.0546","0.0558","","","","","","1.164","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020718","7.1933","0.0004","9.7884","0.0006","11.3155","0.0007","86.106","0.005","87.949","0.005","69.275","0.004","743.4","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H22 B11 N Sn -","- C5 H22 B11 N Sn -","- C10 H44 B22 N2 Sn2 -","2","1","","Wütz, Tobias; Fleischhauer, Sebastian; Wesemann, Lars","B-N bond formation at stanna-closo-dodecaborate.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","753","758","10.1039/c2dt31749d","","","0.71073","MoKα","","0.0315","0.0282","","","0.0712","0.0725","","","","","","1.149","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020719","5.7919","0.0006","11.3124","0.0012","18.4842","0.0019","83.323","0.002","87.083","0.002","83.546","0.002","1194.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H35 N3 O -","- C26 H35 N3 O -","- C52 H70 N6 O2 -","2","1","","Ovejero, Paloma; Asensio, Eduardo; Heras, José Vicente; Campo, José Antonio; Cano, Mercedes; Torres, M. Rosario; Núñez, Cristina; Lodeiro, Carlos","Silver-pyrazole complexes as hybrid multifunctional materials with metallomesogenic and photoluminescent behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2107","2120","10.1039/c2dt31750h","","","0.71073","MoKα","","0.1403","0.0499","","","0.1036","0.1231","","","","","","0.961","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020720","12.5359","0.0017","13.0895","0.0016","17.37","0.002","96.276","0.002","92.882","0.002","102.947","0.003","2752.9","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H72 Ag Cl2 N7 O5 -","- C53 H72 Ag Cl2 N7 O5 -","- C106 H144 Ag2 Cl4 N14 O10 -","2","1","","Ovejero, Paloma; Asensio, Eduardo; Heras, José Vicente; Campo, José Antonio; Cano, Mercedes; Torres, M. Rosario; Núñez, Cristina; Lodeiro, Carlos","Silver-pyrazole complexes as hybrid multifunctional materials with metallomesogenic and photoluminescent behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2107","2120","10.1039/c2dt31750h","","","0.71073","MoKα","","0.3376","0.0852","","","0.1732","0.2262","","","","","","0.95","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7020721","9.9949","0.0003","10.7974","0.0003","19.3657","0.0005","91.921","0.002","104.19","0.002","97.509","0.002","2004.1","0.1","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe2 N8 O5 -","- C39 H36 Cl2 Fe2 N8 O5 -","- C78 H72 Cl4 Fe4 N16 O10 -","2","1","","Bikas, Rahman; Hosseini-Monfared, Hassan; Zoppellaro, Giorgio; Herchel, Radovan; Tucek, Jiri; Owczarzak, Anita M.; Kubicki, Maciej; Zboril, Radek","Synthesis, structure, magnetic properties and theoretical calculations of methoxy bridged dinuclear iron(iii) complex with hydrazone based O,N,N-donor ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2803","2812","10.1039/c2dt31751f","","","0.71073","MoKα","","0.0772","0.0533","","","0.1485","0.1621","","","","","","1.049","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7020722","11.221","0.003","61.115","0.017","10.502","0.003","90","","115.227","0.005","90","","6515","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H84 B2 N4 Ru2 S3 -","- C72 H84 B2 N4 Ru2 S3 -","- C288 H336 B8 N16 Ru8 S12 -","4","1","","Galardon, Erwan; Daguet, Hombeline; Deschamps, Patrick; Roussel, Pascal; Tomas, Alain; Artaud, Isabelle","Influence of the diamine on the reactivity of thiosulfonato ruthenium complexes with hydrosulfide (HS(-)).","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2817","2821","10.1039/c2dt31758c","","","0.71073","MoKα","","0.0706","0.0507","","","0.0992","0.1068","","","","","","1.08","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020723","9.0834","0.0004","11.4504","0.0004","19.9443","0.0004","94.078","0.002","97.236","0.002","105.574","0.002","1970.32","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H49 B N2 O2 Ru S2 -","- C43 H49 B N2 O2 Ru S2 -","- C86 H98 B2 N4 O4 Ru2 S4 -","2","1","","Galardon, Erwan; Daguet, Hombeline; Deschamps, Patrick; Roussel, Pascal; Tomas, Alain; Artaud, Isabelle","Influence of the diamine on the reactivity of thiosulfonato ruthenium complexes with hydrosulfide (HS(-)).","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2817","2821","10.1039/c2dt31758c","","","0.71073","MoKα","","0.0547","0.0373","","","0.1001","0.1191","","","","","","1.105","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020724","12.8455","0.0018","15.144","0.002","22.259","0.003","90","","95.33","0.003","90","","4311.4","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H49 B N2 Ru S -","- C50 H49 B N2 Ru S -","- C200 H196 B4 N8 Ru4 S4 -","4","1","","Galardon, Erwan; Daguet, Hombeline; Deschamps, Patrick; Roussel, Pascal; Tomas, Alain; Artaud, Isabelle","Influence of the diamine on the reactivity of thiosulfonato ruthenium complexes with hydrosulfide (HS(-)).","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2817","2821","10.1039/c2dt31758c","","","0.71073","MoKα","","0.0641","0.0517","","","0.136","0.153","","","","","","1.065","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020725","10.094","0.003","18.751","0.006","14.086","0.005","90","","100.51","0.006","90","","2621.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H42 Fe O3 P4 -","- C20 H42 Fe O3 P4 -","- C80 H168 Fe4 O12 P16 -","4","1","","Xu, Xiaofeng; Jia, Jiong; Sun, Hongjian; Liu, Yuxia; Xu, Wengang; Shi, Yujie; Zhang, Dongju; Li, Xiaoyan","Selective activation of C‒F and C‒H bonds with iron complexes, the relevant mechanism study by DFT calculations and study on the chemical properties of hydrido iron complex","Dalton Transactions","2013","42","10","3417","","10.1039/c2dt31795h","","","0.71073","MoKα","","0.0626","0.0393","","","0.0881","0.0959","","","","","","0.914","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020726","9.661","0.002","21.657","0.005","15.892","0.004","90","","102.072","0.004","90","","3251.5","1.3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H44 F2 Fe N P3 Si -","- C27 H44 F2 Fe N P3 Si -","- C108 H176 F8 Fe4 N4 P12 Si4 -","4","1","","Xu, Xiaofeng; Jia, Jiong; Sun, Hongjian; Liu, Yuxia; Xu, Wengang; Shi, Yujie; Zhang, Dongju; Li, Xiaoyan","Selective activation of C‒F and C‒H bonds with iron complexes, the relevant mechanism study by DFT calculations and study on the chemical properties of hydrido iron complex","Dalton Transactions","2013","42","10","3417","","10.1039/c2dt31795h","","","0.71073","MoKα","","0.0829","0.0436","","","0.0894","0.1039","","","","","","1.024","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020727","9.6343","0.0008","9.3988","0.0008","33.449","0.003","90","","92.814","0.002","90","","3025.2","0.5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 F2 Fe O2 P2 -","- C32 H34 F2 Fe O2 P2 -","- C128 H136 F8 Fe4 O8 P8 -","4","1","","Xu, Xiaofeng; Jia, Jiong; Sun, Hongjian; Liu, Yuxia; Xu, Wengang; Shi, Yujie; Zhang, Dongju; Li, Xiaoyan","Selective activation of C‒F and C‒H bonds with iron complexes, the relevant mechanism study by DFT calculations and study on the chemical properties of hydrido iron complex","Dalton Transactions","2013","42","10","3417","","10.1039/c2dt31795h","","","0.71073","MoKα","","0.1081","0.0513","","","0.116","0.1479","","","","","","0.97","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020728","9.3","0.007","11.375","0.009","13.62","0.01","66.927","0.011","79.162","0.013","74.851","0.013","1273.5","1.7","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 F2 Fe N P3 -","- C22 H36 F2 Fe N P3 -","- C44 H72 F4 Fe2 N2 P6 -","2","1","","Xu, Xiaofeng; Jia, Jiong; Sun, Hongjian; Liu, Yuxia; Xu, Wengang; Shi, Yujie; Zhang, Dongju; Li, Xiaoyan","Selective activation of C‒F and C‒H bonds with iron complexes, the relevant mechanism study by DFT calculations and study on the chemical properties of hydrido iron complex","Dalton Transactions","2013","42","10","3417","","10.1039/c2dt31795h","","","0.71073","MoKα","","0.0574","0.0466","","","0.1216","0.1298","","","","","","1.014","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020729","13.432","0.003","12.134","0.003","33.252","0.007","90","","90","","90","","5420","2","273","2","273","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C22 H35 Br F2 Fe N P3 -","- C22 H35 Br F2 Fe N P3 -","- C176 H280 Br8 F16 Fe8 N8 P24 -","8","","","Xu, Xiaofeng; Jia, Jiong; Sun, Hongjian; Liu, Yuxia; Xu, Wengang; Shi, Yujie; Zhang, Dongju; Li, Xiaoyan","Selective activation of C‒F and C‒H bonds with iron complexes, the relevant mechanism study by DFT calculations and study on the chemical properties of hydrido iron complex","Dalton Transactions","2013","42","10","3417","","10.1039/c2dt31795h","","","0.71073","MoKα","","0.0833","0.0625","","","0.1763","0.1952","","","","","","1.045","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020730","13.492","0.007","12.097","0.006","34.022","0.017","90","","90","","90","","5553","5","298","2","298","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C22 H35 F2 Fe I N P3 -","- C22 H35 F2 Fe I N P3 -","- C176 H280 F16 Fe8 I8 N8 P24 -","8","","","Xu, Xiaofeng; Jia, Jiong; Sun, Hongjian; Liu, Yuxia; Xu, Wengang; Shi, Yujie; Zhang, Dongju; Li, Xiaoyan","Selective activation of C‒F and C‒H bonds with iron complexes, the relevant mechanism study by DFT calculations and study on the chemical properties of hydrido iron complex","Dalton Transactions","2013","42","10","3417","","10.1039/c2dt31795h","","","0.71073","MoKα","","0.1667","0.0532","","","0.1121","0.1639","","","","","","0.842","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020731","25.986","0.004","14.314","0.002","19.812","0.003","90","","113.231","0.002","90","","6771.9","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H66 Cl2 F12 O14 Pd6 -","- C44 H66 Cl2 F12 O14 Pd6 -","- C176 H264 Cl8 F48 O56 Pd24 -","4","0.5","","Shishilov, Oleg N.; Podobedov, Roman E.; Rezinkova, Yaroslavna N.; Churakov, Andrei V.; Efimenko, Inessa A.","Palladium ketonyl carboxylate complexes - potential models of polynuclear intermediates in olefin oxidation: formation and X-ray structure of Pd(6)(μ-Cl)(2+x)(μ-CF(3)CO(2))(4)(μ,κ(2)-CH(2)C(O)CMe(3))(6-x) (x = 0, 2).","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1338","1341","10.1039/c2dt31824e","","","0.71073","MoKα","","0.0682","0.0588","","","0.1959","0.204","","","","","","1.592","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020732","9.1569","0.0014","14.474","0.002","19.072","0.003","90","","95.5","0.002","90","","2516.1","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cl4 F12 O12 Pd6 -","- C32 H44 Cl4 F12 O12 Pd6 -","- C64 H88 Cl8 F24 O24 Pd12 -","2","0.5","","Shishilov, Oleg N.; Podobedov, Roman E.; Rezinkova, Yaroslavna N.; Churakov, Andrei V.; Efimenko, Inessa A.","Palladium ketonyl carboxylate complexes - potential models of polynuclear intermediates in olefin oxidation: formation and X-ray structure of Pd(6)(μ-Cl)(2+x)(μ-CF(3)CO(2))(4)(μ,κ(2)-CH(2)C(O)CMe(3))(6-x) (x = 0, 2).","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1338","1341","10.1039/c2dt31824e","","","0.71073","MoKα","","0.074","0.0497","","","0.1314","0.1442","","","","","","1.075","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020733","9.4265","0.0004","13.513","0.0005","14.2919","0.0006","76.253","0.002","74.292","0.003","71.596","0.002","1639.65","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H74 P4 Ru Si2 -","- C78 H74 P4 Ru Si2 -","- C78 H74 P4 Ru Si2 -","1","0.5","","Marqués-González, Santiago; Yufit, Dmitry S.; Howard, Judith A. K.; Martín, Santiago; Osorio, Henrry M.; García-Suárez, Víctor M; Nichols, Richard J.; Higgins, Simon J.; Cea, Pilar; Low, Paul J.","Simplifying the conductance profiles of molecular junctions: the use of the trimethylsilylethynyl moiety as a molecule-gold contact.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","338","341","10.1039/c2dt31825c","","x-ray","0.71073","MoKα","K-L~3~","0.0711","0.0453","","","0.1029","0.1119","","","","","","0.99","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020734","10.8015","0.0004","12.4654","0.0004","16.4565","0.0006","94.896","0.001","105.108","0.001","103.004","0.001","2059.77","0.13","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C84 H78 Br0.1 Cl12 P4 Ru -","- C84 H78 Br0.1 Cl12 P4 Ru -","- C84 H78 Br0.1 Cl12 P4 Ru -","1","0.5","","Marqués-González, Santiago; Yufit, Dmitry S.; Howard, Judith A. K.; Martín, Santiago; Osorio, Henrry M.; García-Suárez, Víctor M; Nichols, Richard J.; Higgins, Simon J.; Cea, Pilar; Low, Paul J.","Simplifying the conductance profiles of molecular junctions: the use of the trimethylsilylethynyl moiety as a molecule-gold contact.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","338","341","10.1039/c2dt31825c","","x-ray","0.71073","MoKα","K-L~3~","0.0543","0.0429","","","0.1067","0.1141","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020735","25.213","0.004","25.213","0.004","6.7519","0.0014","90","","90","","120","","3717.1","1.1","110","2","110","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C21 H16 N6 O4 Pr -","- C20 H16 N7 O4 Pr -","- C120 H96 N42 O24 Pr6 -","6","0.25","","Lopez, Nazario; Zhao, Hanhua; Zhao, Dan; Zhou, Hong-Cai; Riebenspies, Joseph P.; Dunbar, Kim R.","A porous Sm(III) coordination nanotube with hydrophobic and hydrophilic channels.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","54","57","10.1039/c2dt31842c","","","0.71073","MoKα","","0.0625","0.062","","","0.147","0.1474","","","","","","1.119","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020736","25.158","0.004","25.158","0.004","6.7043","0.0014","90","","90","","120","","3674.8","1.1","110","2","110","2","","","","","","","","5","P 63/m c m","-P 6c 2","193","","","","- C21 H20 N6 O6 Sm -","- C20 H16 N7 O6 Sm -","- C120 H96 N42 O36 Sm6 -","6","0.25","","Lopez, Nazario; Zhao, Hanhua; Zhao, Dan; Zhou, Hong-Cai; Riebenspies, Joseph P.; Dunbar, Kim R.","A porous Sm(III) coordination nanotube with hydrophobic and hydrophilic channels.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","54","57","10.1039/c2dt31842c","","","0.71073","MoKα","","0.0725","0.0654","","","0.1703","0.1766","","","","","","1.006","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020737","13.445","0.0003","15.105","0.0004","22.1862","0.0006","90","","107.657","0.002","90","","4293.46","0.19","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H148 B6 N6 O4 Si4 Sr4 -","- C54 H148 B6 N6 O4 Si4 Sr4 -","- C108 H296 B12 N12 O8 Si8 Sr8 -","2","0.5","","Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.","Alkaline earth alkyl insertion chemistry of in situ generated aminoboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","737","745","10.1039/c2dt31849k","","","0.71073","MoKα","","0.0926","0.0525","","","0.1041","0.1253","","","","","","1.113","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020738","9.731","0.005","13.576","0.007","10.412","0.006","90","","94.825","0.007","90","","1370.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cu2 N4 O10 -","- C28 H24 Cu2 N4 O10 -","- C56 H48 Cu4 N8 O20 -","2","0.5","","Jiao, Chengli; Li, Fen; Zhang, Jian; Li, Zhangpeng; Wang, Shuang; Wang, Zhonggang; Yu, Hao; Li, Zhibao; Liu, Shuang; Wang, Ziqiang; Jiang, Xia; Sun, Lixian; Xu, Fen","Syntheses, structures and chemical sensing properties of three complexes with mixed ligands of carboxylate and bipyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1346","1351","10.1039/c2dt31867a","","","0.71073","MoKα","","0.0504","0.0313","","","0.0713","0.08","","","","","","1.021","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020739","9.6725","0.0005","10.5484","0.0005","14.8047","0.0007","82.43","0.002","76.525","0.003","77.604","0.002","1429.37","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H14 B F15 O5 -","- C28 H16 B F15 O4 -","- C56 H32 B2 F30 O8 -","2","1","","Neu, Rebecca C.; Jiang, Chunfang; Stephan, Douglas W.","Bulky derivatives of boranes, boronic acids and boronate esters via reaction with diazomethanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","726","736","10.1039/c2dt31868g","","","0.71073","MoKα","","0.0636","0.0424","","","0.1125","0.1243","","","","","","1.039","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020740","20.7933","0.0006","20.7933","0.0006","9.7004","0.0005","90","","90","","120","","3632.2","0.2","150","2","150","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C19 H10 B F5 O -","- C19 H10 B F5 O -","- C171 H90 B9 F45 O9 -","9","1","","Neu, Rebecca C.; Jiang, Chunfang; Stephan, Douglas W.","Bulky derivatives of boranes, boronic acids and boronate esters via reaction with diazomethanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","726","736","10.1039/c2dt31868g","","","0.71073","MoKα","","0.05","0.0368","","","0.0729","0.078","","","","","","1.023","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020741","9.5553","0.0005","11.0517","0.0006","21.8569","0.0013","92.454","0.004","97.71","0.004","109.598","0.002","2145.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H45 B3 O3 -","- C57 H45 B3 O3 -","- C114 H90 B6 O6 -","2","1","","Neu, Rebecca C.; Jiang, Chunfang; Stephan, Douglas W.","Bulky derivatives of boranes, boronic acids and boronate esters via reaction with diazomethanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","726","736","10.1039/c2dt31868g","","","0.71073","MoKα","","0.1005","0.054","","","0.118","0.1375","","","","","","1.021","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020742","8.3424","0.0005","11.1791","0.0008","22.4978","0.0014","76.52","0.004","82.063","0.003","82.054","0.003","2008.5","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H23 B F N O2 Si -","- C21 H23 B F N O2 Si -","- C84 H92 B4 F4 N4 O8 Si4 -","4","2","","Neu, Rebecca C.; Jiang, Chunfang; Stephan, Douglas W.","Bulky derivatives of boranes, boronic acids and boronate esters via reaction with diazomethanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","726","736","10.1039/c2dt31868g","","","0.71073","MoKα","","0.0961","0.0464","","","0.0856","0.0989","","","","","","0.99","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020743","8.3043","0.0008","11.1169","0.001","12.0808","0.0011","94.495","0.004","107.005","0.004","98.763","0.004","1045.11","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H19 B F5 N O2 Si -","- C21 H19 B F5 N O2 Si -","- C42 H38 B2 F10 N2 O4 Si2 -","2","1","","Neu, Rebecca C.; Jiang, Chunfang; Stephan, Douglas W.","Bulky derivatives of boranes, boronic acids and boronate esters via reaction with diazomethanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","726","736","10.1039/c2dt31868g","","","0.71073","MoKα","","0.0961","0.0691","","","0.1795","0.1974","","","","","","1.036","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020744","8.019","0.0016","30.009","0.006","14.163","0.003","90","","94.391","0.004","90","","3398.2","1.2","93.15","","93.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C55 H104 B2 Cl6 N4 P4 Pt2 -","- C55 H102 B2 Cl6 N4 P4 Pt2 -","- C110 H204 B4 Cl12 N8 P8 Pt4 -","2","0.5","","Ogawa, Hayato; Yamashita, Makoto","Platinum complexes bearing a boron-based PBP pincer ligand: synthesis, structure, and application as a catalyst for hydrosilylation of 1-decene.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","625","629","10.1039/c2dt31892j","","","0.71075","MoKα","","0.0589","0.0473","","","0.1038","0.1113","","","","","","1.04","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020745","8.0942","0.0018","17.423","0.004","21.755","0.005","90","","93.554","0.004","90","","3062.1","1.2","93.15","","93","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C25 H44 B F3 N2 O3 P2 Pt S -","- C25 H44 B F3 N2 O3 P2 Pt S -","- C100 H176 B4 F12 N8 O12 P8 Pt4 S4 -","4","1","","Ogawa, Hayato; Yamashita, Makoto","Platinum complexes bearing a boron-based PBP pincer ligand: synthesis, structure, and application as a catalyst for hydrosilylation of 1-decene.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","625","629","10.1039/c2dt31892j","","","0.71075","MoKα","","0.0221","0.0191","","","0.0435","0.0448","","","","","","1.064","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020746","12.497","0.002","22.313","0.004","14.664","0.002","90","","99.678","0.002","90","","4030.8","1.1","113.15","","113","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C32 H50 B F6 N3 O4 P2 Pt S2 -","- C32 H50 B F6 N3 O4 P2 Pt S2 -","- C128 H200 B4 F24 N12 O16 P8 Pt4 S8 -","4","1","","Ogawa, Hayato; Yamashita, Makoto","Platinum complexes bearing a boron-based PBP pincer ligand: synthesis, structure, and application as a catalyst for hydrosilylation of 1-decene.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","625","629","10.1039/c2dt31892j","","","0.71075","MoKα","","0.0345","0.0298","","","0.0848","0.0887","","","","","","1.155","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020747","11.379","0.002","15.463","0.003","18.824","0.004","90","","105.35","0.002","90","","3194","1.1","93","2","93","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H51 B N2 P2 Pt -","- C30 H51 B N2 P2 Pt -","- C120 H204 B4 N8 P8 Pt4 -","4","1","","Ogawa, Hayato; Yamashita, Makoto","Platinum complexes bearing a boron-based PBP pincer ligand: synthesis, structure, and application as a catalyst for hydrosilylation of 1-decene.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","625","629","10.1039/c2dt31892j","","","0.71075","MoKα","","0.0398","0.0345","","","0.062","0.0641","","","","","","1.12","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020748","13.734","0.0009","13.734","0.0009","28.56","0.004","90","","90","","90","","5387.1","0.9","273","2","273","2","","","","","","","","6","I -4","I -4","82","","","","- C3 H7 Co1.67 N2.17 O3.5 S2.08 -","- C3 H5 Co1.66667 N2.16667 O3.5 S2.08333 -","- C72 H120 Co40 N52 O84 S50 -","24","3","","Dong, Lanjun; Li, Xiaofang; Cao, Jie; Chu, Wei; Huang, Rudan","An α-Keggin polyoxometalate completely constructed from the late transition metal Co(II) as poly atom.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1342","1345","10.1039/c2dt31896b","","","0.71073","MoKα","","0.2073","0.0518","","","0.0744","0.1053","","","","","","0.808","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020749","13.0843","0.0002","25.4045","0.0004","16.3416","0.0003","90","","93.974","0.001","90","","5418.89","0.16","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C45 H30 N5 O15 Zn2 -","- C45 H30 N5 O15 Zn2 -","- C180 H120 N20 O60 Zn8 -","4","0.5","","Qin, Yuan-cheng; Feng, Xue-feng; Luo, Feng; Sun, Gong-ming; Song, Yu-mei; Tian, Xiao-zhao; Huang, Hai-xiao; Zhu, Yan; Yuan, Zi-jun; Luo, Ming-biao; Liu, Shu-juan; Xu, Wen-yuan","A microporous metal-organic framework containing an exceptional four-connecting 4(2)6(4) topology and a combined effect for highly selective adsorption of CO2 over N2.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","50","53","10.1039/c2dt31905e","","","0.71073","MoKα","","0.0361","0.0321","","","0.102","0.1043","","","","","","1.109","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020750","27.171","0.004","10.1791","0.0013","30.812","0.004","90","","113.21","0.004","90","","7832.2","1.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C38 H41 B F4 N5 O P Ru -","- C38 H41 B F4 N5 O P Ru -","- C304 H328 B8 F32 N40 O8 P8 Ru8 -","8","2","","Hernández-Juárez, Martín; Vaquero, Mónica; Álvarez, Eleuterio; Salazar, Verónica; Suárez, Andrés","Hydrogenation of imines catalysed by ruthenium(II) complexes based on lutidine-derived CNC pincer ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","351","354","10.1039/c2dt31907a","","","0.71073","MoKα","","0.097","0.077","","","0.1583","0.1924","","","","","","1.085","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020751","7.4494","0.0002","22.2352","0.0007","18.5251","0.0006","90","","95.723","0.002","90","","3053.18","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H45 Cl5 P2 Pt -","- C25 H45 Cl5 P2 Pt -","- C100 H180 Cl20 P8 Pt4 -","4","1","","Fanjul, Tamara; Eastham, Graham; Floure, Joelle; Forrest, Sebastian J. K.; Haddow, Mairi F.; Hamilton, Alex; Pringle, Paul G.; Orpen, A. Guy; Waugh, Mark","Interplay of bite angle and cone angle effects. A comparison between o-C6H4(CH2PR2)(PR'2) and o-C6H4(CH2PR2)(CH2PR'2) as ligands for Pd-catalysed ethene hydromethoxycarbonylation.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","100","115","10.1039/c2dt31913f","","","0.71073","MoKα","","0.1424","0.0837","","","0.1602","0.1808","","","","","","1.075","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020752","9.4152","0.0005","21.846","0.001","15.4768","0.0007","90","","115.504","0.003","90","","2873.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Cl4 P2 Pt -","- C24 H44 Cl4 P2 Pt -","- C96 H176 Cl16 P8 Pt4 -","4","1","","Fanjul, Tamara; Eastham, Graham; Floure, Joelle; Forrest, Sebastian J. K.; Haddow, Mairi F.; Hamilton, Alex; Pringle, Paul G.; Orpen, A. Guy; Waugh, Mark","Interplay of bite angle and cone angle effects. A comparison between o-C6H4(CH2PR2)(PR'2) and o-C6H4(CH2PR2)(CH2PR'2) as ligands for Pd-catalysed ethene hydromethoxycarbonylation.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","100","115","10.1039/c2dt31913f","","","0.71073","MoKα","","0.0266","0.0216","","","0.0545","0.0566","","","","","","1.143","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020753","12.461","0.003","15.187","0.003","17.334","0.004","85.45","0.03","79.62","0.03","77.63","0.03","3148.9","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H42 Cl4 O3 P2 Pt -","- C26 H42 Cl4 O3 P2 Pt -","- C104 H168 Cl16 O12 P8 Pt4 -","4","2","","Fanjul, Tamara; Eastham, Graham; Floure, Joelle; Forrest, Sebastian J. K.; Haddow, Mairi F.; Hamilton, Alex; Pringle, Paul G.; Orpen, A. Guy; Waugh, Mark","Interplay of bite angle and cone angle effects. A comparison between o-C6H4(CH2PR2)(PR'2) and o-C6H4(CH2PR2)(CH2PR'2) as ligands for Pd-catalysed ethene hydromethoxycarbonylation.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","100","115","10.1039/c2dt31913f","","","0.71073","MoKα","","0.0558","0.0426","","","0.0846","0.0881","","","","","","0.913","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020754","11.4182","0.0001","15.7441","0.0001","15.0578","0.0001","90","","103.53","0.0008","90","","2631.8","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27.87 H36.61 Cl1.13 P2 Pt -","- C27.87 H36.61 Cl1.13 P2 Pt -","- C111.48 H146.44 Cl4.52 P8 Pt4 -","4","1","","Fanjul, Tamara; Eastham, Graham; Floure, Joelle; Forrest, Sebastian J. K.; Haddow, Mairi F.; Hamilton, Alex; Pringle, Paul G.; Orpen, A. Guy; Waugh, Mark","Interplay of bite angle and cone angle effects. A comparison between o-C6H4(CH2PR2)(PR'2) and o-C6H4(CH2PR2)(CH2PR'2) as ligands for Pd-catalysed ethene hydromethoxycarbonylation.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","100","115","10.1039/c2dt31913f","","","0.71073","MoKα","","0.036","0.0254","","","0.0518","0.0592","","","","","","1.143","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020755","10.946","0.0005","15.7116","0.0006","18.9402","0.0007","90","","120.965","0.003","90","","2793.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Cl P2 Pt -","- C30 H41 Cl P2 Pt -","- C120 H164 Cl4 P8 Pt4 -","4","1","","Fanjul, Tamara; Eastham, Graham; Floure, Joelle; Forrest, Sebastian J. K.; Haddow, Mairi F.; Hamilton, Alex; Pringle, Paul G.; Orpen, A. Guy; Waugh, Mark","Interplay of bite angle and cone angle effects. A comparison between o-C6H4(CH2PR2)(PR'2) and o-C6H4(CH2PR2)(CH2PR'2) as ligands for Pd-catalysed ethene hydromethoxycarbonylation.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","100","115","10.1039/c2dt31913f","","","0.71073","MoKα","","0.0489","0.0393","","","0.0844","0.0871","","","","","","1.199","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020756","15.9715","0.0007","20.0553","0.0008","18.7186","0.0008","90","","118.759","0.003","90","","5256.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H45 Cl P2 Pt -","- C24 H45 Cl P2 Pt -","- C192 H360 Cl8 P16 Pt8 -","8","2","","Fanjul, Tamara; Eastham, Graham; Floure, Joelle; Forrest, Sebastian J. K.; Haddow, Mairi F.; Hamilton, Alex; Pringle, Paul G.; Orpen, A. Guy; Waugh, Mark","Interplay of bite angle and cone angle effects. A comparison between o-C6H4(CH2PR2)(PR'2) and o-C6H4(CH2PR2)(CH2PR'2) as ligands for Pd-catalysed ethene hydromethoxycarbonylation.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","100","115","10.1039/c2dt31913f","","","0.71073","MoKα","","0.0775","0.0405","","","0.083","0.0954","","","","","","1.016","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020757","11.0658","0.0001","14.8858","0.0001","17.0888","0.0002","90","","102.379","0.001","90","","2749.48","0.05","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H43 Cl O3 P2 Pt -","- C26 H43 Cl O3 P2 Pt -","- C104 H172 Cl4 O12 P8 Pt4 -","4","1","","Fanjul, Tamara; Eastham, Graham; Floure, Joelle; Forrest, Sebastian J. K.; Haddow, Mairi F.; Hamilton, Alex; Pringle, Paul G.; Orpen, A. Guy; Waugh, Mark","Interplay of bite angle and cone angle effects. A comparison between o-C6H4(CH2PR2)(PR'2) and o-C6H4(CH2PR2)(CH2PR'2) as ligands for Pd-catalysed ethene hydromethoxycarbonylation.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","100","115","10.1039/c2dt31913f","","","0.71073","MoKα","","0.0348","0.0243","","","0.059","0.0637","","","","","","1.094","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020758","10.588","0.004","14.583","0.005","11.873","0.004","90","","116.01","0.02","90","","1647.6","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H43 Cl3 O6 P2 Pt -","- C29 H43 Cl3 O6 P2 Pt -","- C58 H86 Cl6 O12 P4 Pt2 -","2","1","","Fanjul, Tamara; Eastham, Graham; Floure, Joelle; Forrest, Sebastian J. K.; Haddow, Mairi F.; Hamilton, Alex; Pringle, Paul G.; Orpen, A. Guy; Waugh, Mark","Interplay of bite angle and cone angle effects. A comparison between o-C6H4(CH2PR2)(PR'2) and o-C6H4(CH2PR2)(CH2PR'2) as ligands for Pd-catalysed ethene hydromethoxycarbonylation.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","100","115","10.1039/c2dt31913f","","","0.71073","MoKα","","0.0216","0.0197","","","0.0397","0.0402","","","","","","0.778","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020759","11.7707","0.0011","15.2847","0.0014","15.9116","0.0015","90","","103.716","0.002","90","","2781","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Cl2 O3 P2 Pd -","- C25 H40 Cl2 O3 P2 Pd -","- C100 H160 Cl8 O12 P8 Pd4 -","4","1","","Fanjul, Tamara; Eastham, Graham; Floure, Joelle; Forrest, Sebastian J. K.; Haddow, Mairi F.; Hamilton, Alex; Pringle, Paul G.; Orpen, A. Guy; Waugh, Mark","Interplay of bite angle and cone angle effects. A comparison between o-C6H4(CH2PR2)(PR'2) and o-C6H4(CH2PR2)(CH2PR'2) as ligands for Pd-catalysed ethene hydromethoxycarbonylation.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","100","115","10.1039/c2dt31913f","","","0.71073","MoKα","","0.0495","0.0297","","","0.0627","0.0679","","","","","","0.829","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020760","12.7773","0.0014","14.4079","0.0015","12.3216","0.0013","90","","117.476","0.001","90","","2012.5","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 N2 -","- C28 H16 N2 -","- C112 H64 N8 -","4","1","","Hamm, Danielle C.; Braun, Lindsey A.; Burazin, Alex N.; Gauthier, Amanda M.; Ness, Kendra O.; Biebel, Casey E.; Sauer, Jon S.; Tanke, Robin; Noll, Bruce C.; Bosch, Eric; Bowling, Nathan P.","Conjugated metallorganic macrocycles: opportunities for coordination-driven planarization of bidentate, pyridine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","948","958","10.1039/c2dt31914d","","","0.71073","MoKα","","0.0884","0.045","","","0.0938","0.1148","","","","","","1.005","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020761","16.8364","0.0017","7.9149","0.0008","19.851","0.002","90","","114.254","0.001","90","","2411.8","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H16 Ag F3 N2 O2 -","- C30 H16 Ag F3 N2 O2 -","- C120 H64 Ag4 F12 N8 O8 -","4","1","","Hamm, Danielle C.; Braun, Lindsey A.; Burazin, Alex N.; Gauthier, Amanda M.; Ness, Kendra O.; Biebel, Casey E.; Sauer, Jon S.; Tanke, Robin; Noll, Bruce C.; Bosch, Eric; Bowling, Nathan P.","Conjugated metallorganic macrocycles: opportunities for coordination-driven planarization of bidentate, pyridine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","948","958","10.1039/c2dt31914d","","","0.71073","MoKα","","0.0975","0.0474","","","0.0841","0.1041","","","","","","1.005","","","","has coordinates","209040","2020-10-21","18:00:00",""
"7020762","8.5163","0.0005","11.2205","0.0006","14.9946","0.0012","102.112","0.001","95.543","0.001","107.875","0.001","1313.21","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H18 Cl4 N2 Pd -","- C29 H18 Cl4 N2 Pd -","- C58 H36 Cl8 N4 Pd2 -","2","1","","Hamm, Danielle C.; Braun, Lindsey A.; Burazin, Alex N.; Gauthier, Amanda M.; Ness, Kendra O.; Biebel, Casey E.; Sauer, Jon S.; Tanke, Robin; Noll, Bruce C.; Bosch, Eric; Bowling, Nathan P.","Conjugated metallorganic macrocycles: opportunities for coordination-driven planarization of bidentate, pyridine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","948","958","10.1039/c2dt31914d","","","0.71073","MoKα","","0.0219","0.0202","","","0.0516","0.0527","","","","","","1.063","","","","has coordinates","208161","2020-10-21","18:00:00",""
"7020763","7.543","0.0009","18.135","0.002","20.575","0.003","90","","95.252","0.004","90","","2802.7","0.6","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag F3 N2 O4 S -","- C30 H24 Ag F3 N2 O4 S -","- C120 H96 Ag4 F12 N8 O16 S4 -","4","1","","Hamm, Danielle C.; Braun, Lindsey A.; Burazin, Alex N.; Gauthier, Amanda M.; Ness, Kendra O.; Biebel, Casey E.; Sauer, Jon S.; Tanke, Robin; Noll, Bruce C.; Bosch, Eric; Bowling, Nathan P.","Conjugated metallorganic macrocycles: opportunities for coordination-driven planarization of bidentate, pyridine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","948","958","10.1039/c2dt31914d","","","0.71073","MoKα","","0.054","0.0413","","","0.0981","0.1038","","","","","","1.046","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020764","16.0921","0.0013","27.479","0.0013","44.234","0.003","90","","90","","90","","19560","2","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C28 H20 Cl2 N2 Pd -","- C28 H20 Cl2 N2 Pd -","- C896 H640 Cl64 N64 Pd32 -","32","1","","Hamm, Danielle C.; Braun, Lindsey A.; Burazin, Alex N.; Gauthier, Amanda M.; Ness, Kendra O.; Biebel, Casey E.; Sauer, Jon S.; Tanke, Robin; Noll, Bruce C.; Bosch, Eric; Bowling, Nathan P.","Conjugated metallorganic macrocycles: opportunities for coordination-driven planarization of bidentate, pyridine-based ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","948","958","10.1039/c2dt31914d","","","0.71073","MoKα","","0.0383","0.0262","","","0.0617","0.0682","","","","","","1.087","","","","has coordinates","278046","2022-09-21","15:45:41",""
"7020765","13.8863","0.0002","12.2113","0.0001","26.6853","0.0003","90","","92.313","0.002","90","","4521.33","0.09","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl I P Se -","- C24 H19 Cl I P Se -","- C192 H152 Cl8 I8 P8 Se8 -","8","2","","Barnes, Nicholas A.; Godfrey, Stephen M.; Hughes, Jill; Khan, Rana Z.; Mushtaq, Imrana; Ollerenshaw, Ruth T. A.; Pritchard, Robin G.; Sarwar, Shamsa","The reactions of para-halo diaryl diselenides with halogens. A structural investigation of the CT compound (p-FC(6)H(4))(2)Se(2)I(2), and the first reported ""RSeI(3)"" compound, (p-ClC(6)H(4))SeI·I(2), which contains a covalent Se-I bond.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2735","2744","10.1039/c2dt31921g","","x-ray","0.71073","MoKα","","0.0514","0.0311","","","0.0624","0.0676","","","","","","1.059","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020766","28.3911","0.0015","15.3194","0.0009","6.926","0.0004","90","","91.006","0.003","90","","3011.9","0.3","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 F2 I2 Se2 -","- C12 H8 F2 I2 Se2 -","- C96 H64 F16 I16 Se16 -","8","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Hughes, Jill; Khan, Rana Z.; Mushtaq, Imrana; Ollerenshaw, Ruth T. A.; Pritchard, Robin G.; Sarwar, Shamsa","The reactions of para-halo diaryl diselenides with halogens. A structural investigation of the CT compound (p-FC(6)H(4))(2)Se(2)I(2), and the first reported ""RSeI(3)"" compound, (p-ClC(6)H(4))SeI·I(2), which contains a covalent Se-I bond.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2735","2744","10.1039/c2dt31921g","","x-ray","0.71073","MoKα","","0.0889","0.0611","","","0.1595","0.1845","","","","","","1.072","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020767","5.8397","0.0001","9.5545","0.0002","11.6257","0.0003","105.613","0.001","101.455","0.001","100.916","0.002","591.68","0.02","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C6 H4 Cl I3 Se -","- C6 H4 Cl I3.0003 Se1.0003 -","- C12 H8 Cl2 I6.0006 Se2.0006 -","2","1","","Barnes, Nicholas A.; Godfrey, Stephen M.; Hughes, Jill; Khan, Rana Z.; Mushtaq, Imrana; Ollerenshaw, Ruth T. A.; Pritchard, Robin G.; Sarwar, Shamsa","The reactions of para-halo diaryl diselenides with halogens. A structural investigation of the CT compound (p-FC(6)H(4))(2)Se(2)I(2), and the first reported ""RSeI(3)"" compound, (p-ClC(6)H(4))SeI·I(2), which contains a covalent Se-I bond.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2735","2744","10.1039/c2dt31921g","","x-ray","0.71073","MoKα","","0.0944","0.0634","","","0.1474","0.1851","","","","","","1.126","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020768","10.029","0.002","10.71","0.001","17.939","0.002","82.687","0.007","87.155","0.01","78.307","0.009","1870.9","0.5","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H29 Cl10 N5 O Ru -","- C30 H29 Cl10 N5 O Ru -","- C60 H58 Cl20 N10 O2 Ru2 -","2","1","","Nazarov, Alexey A.; Gardini, Daniel; Baquié, Mathurin; Juillerat-Jeanneret, Lucienne; Serkova, Tatiana P.; Shevtsova, Elena P.; Scopelliti, Rosario; Dyson, Paul J.","Organometallic anticancer agents that interfere with cellular energy processes: a subtle approach to inducing cancer cell death.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2347","2350","10.1039/c2dt31936e","","","0.71073","MoKα","","0.0393","0.0365","","","0.0928","0.0949","","","","","","1.083","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020769","17.468","0.0009","20.4319","0.0015","21.6099","0.0016","90.501","0.008","105.712","0.008","112.689","0.009","6794.1","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H36 Cl13 N5 O Ru -","- C34 H36 Cl13 N5 O Ru -","- C204 H216 Cl78 N30 O6 Ru6 -","6","3","","Nazarov, Alexey A.; Gardini, Daniel; Baquié, Mathurin; Juillerat-Jeanneret, Lucienne; Serkova, Tatiana P.; Shevtsova, Elena P.; Scopelliti, Rosario; Dyson, Paul J.","Organometallic anticancer agents that interfere with cellular energy processes: a subtle approach to inducing cancer cell death.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2347","2350","10.1039/c2dt31936e","","","0.71073","MoKα","","0.1202","0.0622","","","0.0817","0.0967","","","","","","1.105","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020770","24.9162","0.0016","24.9162","0.0016","14.2676","0.001","90","","90","","90","","8857.6","1","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C77 H90 B4 Cu4 F16 N28 O11 -","- C76 H86 B Cu4 F4 N28 O10 -","- C304 H344 B4 Cu16 F16 N112 O40 -","4","0.25","","Shuvaev, Konstantin V.; Sproules, Stephen; Rautiainen, J. Mikko; McInnes, Eric J. L.; Collison, David; Anson, Christopher E.; Powell, Annie K.","A self-assembled Cu(ii)(4) [2 ×2] grid with organic radicals.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2371","2381","10.1039/c2dt31946b","","","0.71073","MoKα","","0.0876","0.0622","","","0.1548","0.169","","","","","","1.088","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020771","24.891","0.004","24.891","0.004","14.388","0.003","90","","90","","90","","8914","3","150","2","150","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C77 H91.5 B4 Cu4 F16 N28 O9.5 -","- C76 H87.52 B Cu4 F4 N28 O8.52 -","- C304 H350.08 B4 Cu16 F16 N112 O34.08 -","4","0.25","","Shuvaev, Konstantin V.; Sproules, Stephen; Rautiainen, J. Mikko; McInnes, Eric J. L.; Collison, David; Anson, Christopher E.; Powell, Annie K.","A self-assembled Cu(ii)(4) [2 ×2] grid with organic radicals.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2371","2381","10.1039/c2dt31946b","","","0.71073","MoKα","","0.0941","0.0604","","","0.1491","0.1612","","","","","","0.993","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020772","10.7468","0.0019","20.78","0.005","29.975","0.006","90","","90","","90","","6694","2","93","","93","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H59 O P -","- C36 H59 O P -","- C288 H472 O8 P8 -","8","1","","Fleming, Conor G. E.; Slawin, Alexandra M. Z.; Athukorala Arachchige, Kasun S.; Randall, Rebecca; Bühl, Michael; Kilian, Petr","Synthetic and computational study of geminally bis(supermesityl) substituted phosphorus compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1437","1450","10.1039/c2dt31971c","","","0.71075","MoKα","","","0.106","","","","0.2903","","","","","","0.989","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020773","17.188","0.006","10.133","0.004","17.471","0.005","90","","92.519","0.01","90","","3039.9","1.8","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H51 P -","- C32 H51 P -","- C128 H204 P4 -","4","1","","Fleming, Conor G. E.; Slawin, Alexandra M. Z.; Athukorala Arachchige, Kasun S.; Randall, Rebecca; Bühl, Michael; Kilian, Petr","Synthetic and computational study of geminally bis(supermesityl) substituted phosphorus compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1437","1450","10.1039/c2dt31971c","","","0.71075","MoKα","","","0.0562","","","","0.173","","","","","","1.002","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020774","11.039","0.004","10.854","0.005","14.61","0.006","90","","100.892","0.01","90","","1719","1.2","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H61 O P -","- C37 H61 O P -","- C74 H122 O2 P2 -","2","1","","Fleming, Conor G. E.; Slawin, Alexandra M. Z.; Athukorala Arachchige, Kasun S.; Randall, Rebecca; Bühl, Michael; Kilian, Petr","Synthetic and computational study of geminally bis(supermesityl) substituted phosphorus compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1437","1450","10.1039/c2dt31971c","","","0.71075","MoKα","","","0.0765","","","","0.2115","","","","","","1.082","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020775","20.653","0.004","11.1027","0.0018","17.718","0.003","90","","111.573","0.004","90","","3778.2","1.2","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H65 Cl2 O P -","- C39 H65 Cl2 O P -","- C156 H260 Cl8 O4 P4 -","4","1","","Fleming, Conor G. E.; Slawin, Alexandra M. Z.; Athukorala Arachchige, Kasun S.; Randall, Rebecca; Bühl, Michael; Kilian, Petr","Synthetic and computational study of geminally bis(supermesityl) substituted phosphorus compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1437","1450","10.1039/c2dt31971c","","","0.71075","MoKα","","","0.0468","","","","0.1505","","","","","","1.061","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020776","9.005","0.003","11.305","0.004","32.513","0.011","90","","90","","90","","3310","2","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H57 O P -","- C36 H57 O P -","- C144 H228 O4 P4 -","4","1","","Fleming, Conor G. E.; Slawin, Alexandra M. Z.; Athukorala Arachchige, Kasun S.; Randall, Rebecca; Bühl, Michael; Kilian, Petr","Synthetic and computational study of geminally bis(supermesityl) substituted phosphorus compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1437","1450","10.1039/c2dt31971c","","","0.71075","MoKα","","","0.1657","","","","0.4747","","","","","","1.203","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020777","9.398","0.005","12.868","0.007","14.381","0.007","108.86","0.007","100.484","0.009","105.905","0.008","1511.2","1.4","125","","125","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H51 P S -","- C32 H51 P S -","- C64 H102 P2 S2 -","2","1","","Fleming, Conor G. E.; Slawin, Alexandra M. Z.; Athukorala Arachchige, Kasun S.; Randall, Rebecca; Bühl, Michael; Kilian, Petr","Synthetic and computational study of geminally bis(supermesityl) substituted phosphorus compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1437","1450","10.1039/c2dt31971c","","","0.71075","MoKα","","","0.1342","","","","0.2935","","","","","","1.172","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020778","19.7735","0.0002","9.3333","0.0001","17.027","0.0002","90","","90","","90","","3142.37","0.06","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1,3-Dipropyl-1H-imidazol-3-ium tetrachloroaurate","","- C9 H17 Au Cl4 N2 -","- C9 H17 Au Cl4 N2 -","- C72 H136 Au8 Cl32 N16 -","8","1","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Brown, Christopher M.; Beer, Paul D.","Haloaurate and halopalladate imidazolium salts: structures, properties, and use as precursors for catalytic metal nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1385","1393","10.1039/c2dt31984e","","","0.71073","MoKα","","0.0738","0.055","","","0.1597","0.1728","","","","","","1.051","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020779","9.9772","0.0002","14.7125","0.0003","11.6742","0.0003","90","","90","","90","","1713.65","0.07","150","","150","","","","","","","","","5","C m c 21","C 2c -2","36","","1,3-Di-tert-butyl-1H-imidazol-3-ium tetrachloroaurate","","- C11 H21 Au Cl4 N2 -","- C11 H21 Au Cl4 N2 -","- C44 H84 Au4 Cl16 N8 -","4","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Brown, Christopher M.; Beer, Paul D.","Haloaurate and halopalladate imidazolium salts: structures, properties, and use as precursors for catalytic metal nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1385","1393","10.1039/c2dt31984e","","","0.71073","MoKα","","0.0323","0.0284","","0.065","0.0633","0.065","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020780","7.8505","0.0003","17.562","0.0006","10.8085","0.0004","90","","94.616","0.002","90","","1485.34","0.09","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,3-Dipropyl-1H-imidazol-3-ium halopalladate","","- C18 H34 Br4 Cl2 N4 Pd2 -","- C18 H34 Br4 Cl2 N4 Pd2 -","- C36 H68 Br8 Cl4 N8 Pd4 -","2","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Brown, Christopher M.; Beer, Paul D.","Haloaurate and halopalladate imidazolium salts: structures, properties, and use as precursors for catalytic metal nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1385","1393","10.1039/c2dt31984e","","","0.71073","MoKα","","0.1008","0.0438","","","0.0772","0.0919","","","","","","0.997","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020781","7.682","0.004","9.105","0.006","13.838","0.01","82.14","0.02","78.97","0.02","68.59","0.02","882.1","1","100","","100","","","","","","","","","6","P -1","-P 1","2","","1,3-Dihexyl-1H-imidazol-3-ium tetrahalopalladate","","- C30 H58 Br1.78 Cl2.22 N4 Pd -","- C30 H58 Br1.78 Cl2.22 N4 Pd -","- C30 H58 Br1.78 Cl2.22 N4 Pd -","1","0.5","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Brown, Christopher M.; Beer, Paul D.","Haloaurate and halopalladate imidazolium salts: structures, properties, and use as precursors for catalytic metal nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1385","1393","10.1039/c2dt31984e","","","0.6889","Synchrotron","","0.0452","0.0414","","0.0694","0.0675","0.0694","","","","","","0.9192","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020782","17.3545","0.0007","9.4171","0.0005","10.5259","0.0005","90","","125.898","0.002","90","","1393.5","0.12","150","","150","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","1,3-Di-tert-butyl-1H-imidazol-3-ium tetrachloropalladate","","- C22 H42 Cl4 N4 Pd -","- C22 H42 Cl4 N4 Pd -","- C44 H84 Cl8 N8 Pd2 -","2","0.25","","Serpell, Christopher J.; Cookson, James; Thompson, Amber L.; Brown, Christopher M.; Beer, Paul D.","Haloaurate and halopalladate imidazolium salts: structures, properties, and use as precursors for catalytic metal nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1385","1393","10.1039/c2dt31984e","","","0.71073","MoKα","","0.0504","0.0344","","0.0943","0.0769","0.0943","","","","","","0.9309","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020783","22.2776","0.001","22.2776","0.001","14.7609","0.0006","90","","90","","90","","7325.7","0.6","100","2","100","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C49 H61 Cl3 Co6 F12 N24 O14 P2 -","- C49 H45 Cl3 Co6 F12 N24 O14 P2 -","- C196 H180 Cl12 Co24 F48 N96 O56 P8 -","4","0.5","","Yoshida, Jun; Kondo, Shohei; Yuge, Hidetaka","A synthetic strategy for a new series of oxo-centered tricobalt complexes with mixed bridging ligands of acetate and pyrazolate anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2406","2413","10.1039/c2dt31988h","","","0.71073","MoKα","","0.0688","0.0503","","","","0.1346","","","","","","1.036","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020784","9.9668","0.0004","35.7616","0.0014","12.1666","0.0005","90","","102.617","0.0004","90","","4231.8","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Cl6 Co3 F6 N10 O9 P -","- C25 H32 Cl6 Co3 F6 N10 O9 P -","- C100 H128 Cl24 Co12 F24 N40 O36 P4 -","4","1","","Yoshida, Jun; Kondo, Shohei; Yuge, Hidetaka","A synthetic strategy for a new series of oxo-centered tricobalt complexes with mixed bridging ligands of acetate and pyrazolate anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2406","2413","10.1039/c2dt31988h","","","0.71073","MoKα","","0.0652","0.0542","","","","0.1452","","","","","","1.137","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020785","8.7406","0.0003","28.1478","0.001","16.0824","0.0006","90","","92.7707","0.0004","90","","3952.1","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Co3 F6 N10 O11 P -","- C27 H38 Co3 F6 N10 O11 P -","- C108 H152 Co12 F24 N40 O44 P4 -","4","1","","Yoshida, Jun; Kondo, Shohei; Yuge, Hidetaka","A synthetic strategy for a new series of oxo-centered tricobalt complexes with mixed bridging ligands of acetate and pyrazolate anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2406","2413","10.1039/c2dt31988h","","","0.71073","MoKα","","0.0445","0.0325","","","","0.1015","","","","","","1.072","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020786","21.584","0.003","11.7176","0.0014","15.8966","0.0019","90","","112.408","0.001","90","","3716.9","0.8","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 Co3 F6 N12 O9 P -","- C26 H38 Co3 F6 N12 O9 P -","- C104 H152 Co12 F24 N48 O36 P4 -","4","0.5","","Yoshida, Jun; Kondo, Shohei; Yuge, Hidetaka","A synthetic strategy for a new series of oxo-centered tricobalt complexes with mixed bridging ligands of acetate and pyrazolate anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2406","2413","10.1039/c2dt31988h","","","0.71073","MoKα","","0.0937","0.0525","","","","0.1145","","","","","","1.038","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020787","14.5714","0.001","19.7339","0.0013","33.61","0.002","90","","90","","90","","9664.6","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C32 H39 Co3 F6 N13 O7 P -","- C32 H39 Co3 F6 N13 O7 P -","- C256 H312 Co24 F48 N104 O56 P8 -","8","1","","Yoshida, Jun; Kondo, Shohei; Yuge, Hidetaka","A synthetic strategy for a new series of oxo-centered tricobalt complexes with mixed bridging ligands of acetate and pyrazolate anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2406","2413","10.1039/c2dt31988h","","","0.71073","MoKα","","0.1008","0.0537","","","","0.1609","","","","","","0.927","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020788","22.0251","0.0011","22.0251","0.0011","14.7509","0.0007","90","","90","","90","","7155.7","0.6","100","2","100","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C52 H63 Co6 F12 N29 O10 P2 -","- C52 H60 Co6 F12 N29 O10 P2 -","- C208 H240 Co24 F48 N116 O40 P8 -","4","0.5","","Yoshida, Jun; Kondo, Shohei; Yuge, Hidetaka","A synthetic strategy for a new series of oxo-centered tricobalt complexes with mixed bridging ligands of acetate and pyrazolate anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2406","2413","10.1039/c2dt31988h","","","0.71073","MoKα","","0.0555","0.0427","","","","0.1098","","","","","","1.042","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020789","16.8429","0.0009","7.9148","0.0004","26.7022","0.0014","90","","97.033","0.001","90","","3532.8","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Co3 F6 N9 O11 P -","- C24 H33 Co3 F6 N9 O11 P -","- C96 H132 Co12 F24 N36 O44 P4 -","4","1","","Yoshida, Jun; Kondo, Shohei; Yuge, Hidetaka","A synthetic strategy for a new series of oxo-centered tricobalt complexes with mixed bridging ligands of acetate and pyrazolate anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2406","2413","10.1039/c2dt31988h","","","0.71073","MoKα","","0.0731","0.0489","","","","0.1248","","","","","","1.046","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020790","16.1862","0.0003","6.2126","0.0006","22.2214","0.0011","90","","90","","90","","2234.5","0.2","150","1","150","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C22 H30 Sn2 -","- C22 H30 Sn2 -","- C88 H120 Sn8 -","4","1","","Khan, Aman; Lough, Alan J.; Gossage, Robert A.; Foucher, Daniel A.","Pd-catalysed reactions of alkynes with model distannanes and poly[di-(n-butyl)]stannane.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2469","2476","10.1039/c2dt31999c","","","0.71073","MoKα","","0.1033","0.059","","","0.1328","0.162","","","","","","1.036","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020791","8.2383","0.0016","8.8394","0.0018","16.113","0.003","90","","93.7","0.03","90","","1170.9","0.4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Cl2 Ni P2 -","- C18 H42 Cl2 Ni P2 -","- C36 H84 Cl4 Ni2 P4 -","2","0.5","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.0623","0.0571","","","0.1611","0.1673","","","","","","1.081","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020792","8.1476","0.0005","8.9382","0.0006","16.3133","0.001","90","","93.797","0.001","90","","1185.41","0.13","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Br2 Ni P2 -","- C18 H42 Br2 Ni P2 -","- C36 H84 Br4 Ni2 P4 -","2","0.5","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.054","0.0478","","","0.1285","0.1341","","","","","","1.068","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020793","15.249","0.003","12.623","0.003","25.316","0.005","90","","90","","90","","4873","1.8","173.15","","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H42 I2 Ni P2 -","- C18 H42 I2 Ni P2 -","- C144 H336 I16 Ni8 P16 -","8","1","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.0518","0.0347","","","0.0678","0.0749","","","","","","1.041","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020794","11.742","0.0003","13.306","0.0004","16.8905","0.0003","90","","116.221","0.002","90","","2367.4","0.11","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H46 Ni P2 -","- C20 H46 Ni P2 -","- C80 H184 Ni4 P8 -","4","1","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.0299","0.0274","","","0.0729","0.0751","","","","","","1.069","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020795","11.62","0.002","13.03","0.003","15.806","0.003","90","","106.85","0.03","90","","2290.4","0.9","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Cl Ni P2 -","- C18 H42 Cl Ni P2 -","- C72 H168 Cl4 Ni4 P8 -","4","0.5","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.023","0.0224","","","0.0612","0.0621","","","","","","1.072","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020796","11.714","0.002","13.115","0.003","15.899","0.003","90","","106.94","0.03","90","","2336.6","0.9","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H42 Br Ni P2 -","- C18 H42 Br Ni P2 -","- C72 H168 Br4 Ni4 P8 -","4","0.5","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.0315","0.027","","","0.0738","0.0772","","","","","","1.117","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020797","11.741","0.002","13.153","0.003","17.089","0.006","90","","114.76","0.02","90","","2396.4","1.1","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 I Ni P2 -","- C18 H42 I Ni P2 -","- C72 H168 I4 Ni4 P8 -","4","1","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.0408","0.0357","","","0.0827","0.0865","","","","","","1.049","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020798","16.264","0.003","8.952","0.0018","15.834","0.003","90","","93.85","0.03","90","","2300.2","0.8","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H43 Cl Ni P2 -","- C18 H43 Cl Ni P2 -","- C72 H172 Cl4 Ni4 P8 -","4","1","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.0391","0.0337","","","0.0807","0.0858","","","","","","1.06","","","","has coordinates","179912","2020-10-21","18:00:00",""
"7020799","14.95","0.004","21.071","0.005","15.531","0.004","90","","114.158","0.005","90","","4464","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H84 N2 Ni2 P4 -","- C36 H83 N2 Ni2 P4 -","- C144 H332 N8 Ni8 P16 -","4","1","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.1381","0.0939","","","0.1766","0.1921","","","","","","1.244","","","","has coordinates,has disorder","179912","2020-10-21","18:00:00",""
"7020800","8.1143","0.0003","8.465","0.0004","18.9139","0.0003","89.338","0.001","77.635","0.002","64.252","0.001","1138.11","0.07","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H42 Ni O2 P2 -","- C19 H42 Ni O2 P2 -","- C38 H84 Ni2 O4 P4 -","2","1","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.06","0.0488","","","0.093","0.0996","","","","","","1.217","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020801","11.66","0.002","14.224","0.003","15.172","0.003","90","","111.17","0.03","90","","2346.5","0.9","173.15","","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H42 Ni O2 P2 -","- C20 H42 Ni O2 P2 -","- C80 H168 Ni4 O8 P8 -","4","0.5","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.0383","0.0324","","","0.0749","0.0776","","","","","","1.085","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020802","7.6433","0.0015","11.11","0.002","17.163","0.003","87.22","0.03","79.83","0.03","71.63","0.02","1361.4","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H42 Ni2 P2 S4 -","- C20 H42 Ni2 P2 S4 -","- C40 H84 Ni4 P4 S8 -","2","1","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.0999","0.0579","","","0.0934","0.1091","","","","","","0.981","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020803","10.8561","0.0005","17.7577","0.0003","11.3609","0.0007","90","","107.813","0.003","90","","2085.15","0.17","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 Ni2 P4 -","- C42 H62 Ni2 P4 -","- C84 H124 Ni4 P8 -","2","0.5","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.0335","0.0293","","","0.0796","0.0903","","","","","","1.159","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020804","9.1831","0.0018","11.038","0.002","13.734","0.003","81.49","0.02","88.23","0.03","84.88","0.03","1371.1","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Ni P2 S -","- C24 H48 Ni P2 S -","- C48 H96 Ni2 P4 S2 -","2","1","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.0507","0.0387","","","0.0951","0.1191","","","","","","1.164","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020805","12.394","0.003","7.879","0.0016","18.951","0.006","90","","116.72","0.02","90","","1653","0.8","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H52 Ni2 P2 S2 -","- C30 H52 Ni2 P2 S2 -","- C60 H104 Ni4 P4 S4 -","2","0.5","","Beck, Robert; Shoshani, Manar; Krasinkiewicz, Jonathan; Hatnean, Jillian A.; Johnson, Samuel A.","Synthesis and chemistry of bis(triisopropylphosphine) nickel(i) and nickel(0) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1461","1475","10.1039/c2dt32008h","","","0.71073","MoKα","","0.0606","0.0398","","","0.0916","0.1232","","","","","","1.118","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020806","11.9996","0.001","25.732","0.002","23.7294","0.0019","90","","98.966","0.001","90","","7237.5","1","185","2","185","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H29 Cl2 Cu4 N4 Na O19 -","- C27 H29 Cl2 Cu4 N4 Na O19 -","- C216 H232 Cl16 Cu32 N32 Na8 O152 -","8","1","","Zhang, Xiaoying; Li, Bo; Tang, Jinkui; Tian, Jumei; Huang, Guolong; Zhang, Jingping","Tuning the interactions from antiferro- to ferro-magnetic by molecular tailoring and manipulating","Dalton Transactions","2013","42","10","3308","","10.1039/c2dt32021e","","","0.71073","MoKα","","0.0974","0.0598","","","0.131","0.1469","","","","","","1.172","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020807","11.9615","0.0014","23.642","0.003","12.8979","0.0015","90","","102.362","0.002","90","","3562.9","0.7","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H66 Cl2 Cu8 N8 O28 -","- C60 H66 Cl2 Cu8 N8 O28 -","- C120 H132 Cl4 Cu16 N16 O56 -","2","0.5","","Zhang, Xiaoying; Li, Bo; Tang, Jinkui; Tian, Jumei; Huang, Guolong; Zhang, Jingping","Tuning the interactions from antiferro- to ferro-magnetic by molecular tailoring and manipulating","Dalton Transactions","2013","42","10","3308","","10.1039/c2dt32021e","","","0.71073","MoKα","","0.0964","0.0528","","","0.1156","0.1348","","","","","","1.007","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020808","22.645","","28.612","","13.161","","90","","90","","90","","8527.26","","185","2","185","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H17 Cl2 Cu2 N3 O11 -","- C14 H17 Cl2 Cu2 N3 O11 -","- C224 H272 Cl32 Cu32 N48 O176 -","16","1","","Zhang, Xiaoying; Li, Bo; Tang, Jinkui; Tian, Jumei; Huang, Guolong; Zhang, Jingping","Tuning the interactions from antiferro- to ferro-magnetic by molecular tailoring and manipulating","Dalton Transactions","2013","42","10","3308","","10.1039/c2dt32021e","","","0.71073","MoKα","","0.0793","0.0574","","","0.1406","0.1531","","","","","","1.129","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020809","21.9919","0.0018","13.5763","0.0005","16.966","0.002","90","","120.092","0.014","90","","4382.8","0.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H19 Cl Cu2 N2 O11 -","- C14 H19 Cl Cu2 N2 O11 -","- C112 H152 Cl8 Cu16 N16 O88 -","8","1","","Zhang, Xiaoying; Li, Bo; Tang, Jinkui; Tian, Jumei; Huang, Guolong; Zhang, Jingping","Tuning the interactions from antiferro- to ferro-magnetic by molecular tailoring and manipulating","Dalton Transactions","2013","42","10","3308","","10.1039/c2dt32021e","","","0.71073","MoKα","","0.0628","0.0409","","","0.1105","0.1146","","","","","","0.928","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020810","17.9932","0.0008","11.5546","0.0007","21.7382","0.0011","90","","90","","90","","4519.5","0.4","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H62 Fe2 N6 O18 Y2 -","- C32 H62 Fe2 N6 O18 Y2 -","- C128 H248 Fe8 N24 O72 Y8 -","4","0.5","","Peng, Guo; Kostakis, George E.; Lan, Yanhua; Powell, Annie K.","Body-wing swapping in butterfly {Fe(III)2Ln(III)2} coordination clusters with triethylene glycol as ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","46","49","10.1039/c2dt32027d","","","0.71073","MoKα","","0.0686","0.0539","","","0.1193","0.1279","","","","","","1.045","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020811","17.968","0.004","11.556","0.002","21.806","0.004","90","","90","","90","","4527.8","1.5","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H62 Dy2 Fe2 N6 O18 -","- C32 H62 Dy2 Fe2 N6 O18 -","- C128 H248 Dy8 Fe8 N24 O72 -","4","0.5","","Peng, Guo; Kostakis, George E.; Lan, Yanhua; Powell, Annie K.","Body-wing swapping in butterfly {Fe(III)2Ln(III)2} coordination clusters with triethylene glycol as ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","46","49","10.1039/c2dt32027d","","","0.71073","MoKα","","0.0531","0.0241","","","0.0341","0.036","","","","","","0.861","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020812","12.6964","0.0003","8.7711","0.0002","22.3611","0.0006","90","","96.513","0.002","90","","2474.09","0.11","220","2","220","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C34 H66 Dy2 Fe2 N2 O24 -","- C34 H66 Dy2 Fe2 N2 O24 -","- C68 H132 Dy4 Fe4 N4 O48 -","2","0.5","","Peng, Guo; Kostakis, George E.; Lan, Yanhua; Powell, Annie K.","Body-wing swapping in butterfly {Fe(III)2Ln(III)2} coordination clusters with triethylene glycol as ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","46","49","10.1039/c2dt32027d","","","0.71073","MoKα","","0.0407","0.025","","","0.0414","0.0436","","","","","","0.989","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020813","12.642","0.0008","8.7461","0.0005","22.2786","0.0016","90","","96.566","0.005","90","","2447.1","0.3","180","2","180","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C34 H66 Fe2 Ho2 N2 O24 -","- C34 H66 Fe2 Ho2 N2 O24 -","- C68 H132 Fe4 Ho4 N4 O48 -","2","0.5","","Peng, Guo; Kostakis, George E.; Lan, Yanhua; Powell, Annie K.","Body-wing swapping in butterfly {Fe(III)2Ln(III)2} coordination clusters with triethylene glycol as ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","46","49","10.1039/c2dt32027d","","","0.71073","MoKα","","0.0231","0.0171","","","0.0351","0.0361","","","","","","0.972","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020814","25.8002","0.0014","25.8002","0.0014","35.4669","0.0018","90","","90","","90","","23609","2","180","2","180","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C51 H42 Cl4 P4 Ru -","- C51 H42 Cl4 P4 Ru -","- C816 H672 Cl64 P64 Ru16 -","16","1","","Nguyen, Duc Hanh; Daran, Jean-Claude; Mallet-Ladeira, Sonia; Davin, Thomas; Maron, Laurent; Urrutigoïty, Martine; Kalck, Philippe; Gouygou, Maryse","Novel phospholyl(diphenylphosphino)methane-ruthenium complexes: unexpected non-assisted cis to trans isomerization of [RuCl2(κ(2)-P-P')2].","Dalton transactions (Cambridge, England : 2003)","2013","42","1","75","81","10.1039/c2dt32032k","","","0.71073","MoKα","","0.1086","0.0585","","","0.1351","0.1492","","","","","","0.984","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020815","10.0456","0.0003","10.8211","0.0004","11.5003","0.0004","103.09","0.003","94.498","0.003","117.213","0.004","1058.7","0.08","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H40 Cl2 P4 Ru -","- C50 H40 Cl2 P4 Ru -","- C50 H40 Cl2 P4 Ru -","1","0.5","","Nguyen, Duc Hanh; Daran, Jean-Claude; Mallet-Ladeira, Sonia; Davin, Thomas; Maron, Laurent; Urrutigoïty, Martine; Kalck, Philippe; Gouygou, Maryse","Novel phospholyl(diphenylphosphino)methane-ruthenium complexes: unexpected non-assisted cis to trans isomerization of [RuCl2(κ(2)-P-P')2].","Dalton transactions (Cambridge, England : 2003)","2013","42","1","75","81","10.1039/c2dt32032k","","","0.71073","MoKα","","0.0262","0.0216","","","0.0552","0.0561","","","","","","1.07","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020816","10.7473","0.0006","12.5084","0.0008","15.067","0.0009","86.953","0.005","89.168","0.005","79.358","0.005","1987.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 La N5 O13 -","- C42 H34 La N5 O13 -","- C84 H68 La2 N10 O26 -","2","1","","Hussain, Akhtar; Somyajit, Kumar; Banik, Bhabatosh; Banerjee, Samya; Nagaraju, Ganesh; Chakravarty, Akhil R.","Enhancing the photocytotoxic potential of curcumin on terpyridyl lanthanide(III) complex formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","182","195","10.1039/c2dt32042h","","","0.71073","MoKα","","0.087","0.0582","","","0.1213","0.143","","","","","","1.034","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020817","10.7275","0.0006","12.4582","0.0008","15.0207","0.0009","86.869","0.004","89.236","0.004","80.443","0.004","1976.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 Gd N5 O13 -","- C42 H34 Gd N5 O13 -","- C84 H68 Gd2 N10 O26 -","2","1","","Hussain, Akhtar; Somyajit, Kumar; Banik, Bhabatosh; Banerjee, Samya; Nagaraju, Ganesh; Chakravarty, Akhil R.","Enhancing the photocytotoxic potential of curcumin on terpyridyl lanthanide(III) complex formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","182","195","10.1039/c2dt32042h","","","0.71073","MoKα","","0.1476","0.0526","","","0.0884","0.1147","","","","","","0.978","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020818","16.4183","0.0004","6.72","0.0002","17.823","0.0004","90","","101.253","0.001","90","","1928.62","0.09","150","1","150","1","","","","","","","synthesized by the authors","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H15 N2 O5.5 P2 -","- C4 H15 N2 O5.5 P2 -","- C32 H120 N16 O44 P16 -","8","1","","David, Tomáš; Procházková, Soňa; Havlíčková, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr; Lukeš, Ivan","Methylene-bis[(aminomethyl)phosphinic acids]: synthesis, acid-base and coordination properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2414","2422","10.1039/c2dt32045b","","","0.71073","MoKα","","0.0302","0.0261","","","0.0713","0.0739","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020819","11.5649","0.0004","8.9009","0.0003","8.3936","0.0003","90","","90","","90","","864.02","0.05","150","1","150","1","","","","","","","synthesized by the authors","5","P b c n","-P 2n 2ab","60","","","","- C3 H14 N2 O5 P2 -","- C3 H14 N2 O5 P2 -","- C12 H56 N8 O20 P8 -","4","0.5","","David, Tomáš; Procházková, Soňa; Havlíčková, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr; Lukeš, Ivan","Methylene-bis[(aminomethyl)phosphinic acids]: synthesis, acid-base and coordination properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2414","2422","10.1039/c2dt32045b","","","0.71073","MoKα","","0.0246","0.0232","","","0.069","0.0702","","","","","","1.127","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020820","13.0426","0.0003","13.2471","0.0004","26.9972","0.0007","90","","90","","90","","4664.5","0.2","150","1","150","1","","","","","","","synthesized by the authors","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H69 Co4 Li2 N6 O33.5 P6 -","- C12 H64 Co4 Li2 N6 O33.5 P6 -","- C48 H256 Co16 Li8 N24 O134 P24 -","4","1","","David, Tomáš; Procházková, Soňa; Havlíčková, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr; Lukeš, Ivan","Methylene-bis[(aminomethyl)phosphinic acids]: synthesis, acid-base and coordination properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2414","2422","10.1039/c2dt32045b","","","0.71073","MoKα","","0.0331","0.0293","","","0.0721","0.0737","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020821","14.1333","0.0004","14.2073","0.0004","14.4339","0.0004","69.875","0.001","76.646","0.001","65.391","0.001","2461.05","0.12","150","1","150","1","","","","","","","synthesized by the authors","6","P 1","P 1","1","","","","- C23 H70 Cu2 N16 O23 P4 -","- C23 H70 Cu2 N16 O23 P4 -","- C46 H140 Cu4 N32 O46 P8 -","2","2","","David, Tomáš; Procházková, Soňa; Havlíčková, Jana; Kotek, Jan; Kubíček, Vojtěch; Hermann, Petr; Lukeš, Ivan","Methylene-bis[(aminomethyl)phosphinic acids]: synthesis, acid-base and coordination properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2414","2422","10.1039/c2dt32045b","","","0.71073","MoKα","","0.0262","0.0237","","","0.0604","0.0618","","","","","","1.027","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020822","15.6162","0.0003","15.6658","0.0003","25.5674","0.0004","90","","91.976","0.001","90","","6251.1","0.2","298","","298","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C68 H56 Cu2 N4 O16 P4 -","- C68 H56 Cu2 N4 O16 P4 -","- C272 H224 Cu8 N16 O64 P16 -","4","1","","Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti","Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2094","2106","10.1039/c2dt32057f","","","0.71073","MoKα","","0.0364","0.0306","","","0.0718","0.0742","","","","","","0.921","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020823","54.913","0.003","9.867","0.0004","22.0227","0.0009","90","","97.587","0.004","90","","11828","0.9","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C130 H138 Cu3 N14 O25 P4 -","- C130 H138 Cu3 N14 O25 P4 -","- C520 H552 Cu12 N56 O100 P16 -","4","0.5","","Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti","Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2094","2106","10.1039/c2dt32057f","","","0.71073","MoKα","","0.0966","0.0702","","","0.1711","0.1893","","","","","","1.107","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020824","5.5236","0.0001","23.2071","0.0005","27.1572","0.0006","90","","90","","90","","3481.19","0.12","298","","298","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H34 Cl0 Mn N2 O8 P2 -","- C37 H34 Mn N2 O8 P2 -","- C148 H136 Mn4 N8 O32 P8 -","4","1","","Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti","Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2094","2106","10.1039/c2dt32057f","","","0.71073","MoKα","","0.0412","0.033","","","0.0819","0.0916","","","","","","1.083","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020825","10.5538","0.0002","13.618","0.0003","13.8223","0.0003","60.988","0.001","87.722","0.001","79.344","0.001","1704.44","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Mn N2 O8 P2 -","- C36 H32 Mn N2 O8 P2 -","- C72 H64 Mn2 N4 O16 P4 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti","Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2094","2106","10.1039/c2dt32057f","","","0.71073","MoKα","","0.0443","0.0387","","","0.1047","0.1101","","","","","","1.043","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020826","13.6529","0.0006","18.4192","0.0006","19.7519","0.0006","90","","109.075","0.002","90","","4694.4","0.3","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 Co N4 O9 P2 -","- C50 H50 Co N4 O9 P2 -","- C200 H200 Co4 N16 O36 P8 -","4","0.5","","Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti","Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2094","2106","10.1039/c2dt32057f","","","0.71073","MoKα","","0.0324","0.0296","","","0.0781","0.0803","","","","","","1.038","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020827","13.73","0.0004","18.3498","0.0004","19.7497","0.0005","90","","109.567","0.001","90","","4688.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 N4 Ni O9 P2 -","- C50 H50 N4 Ni O9 P2 -","- C200 H200 N16 Ni4 O36 P8 -","4","0.5","","Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti","Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2094","2106","10.1039/c2dt32057f","","","0.71073","MoKα","","0.0449","0.0322","","","0.0822","0.0899","","","","","","1.033","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020828","24.606","0.005","5.763","0.005","12.118","0.005","90","0.005","111.975","0.005","90","0.005","1593.5","1.6","298","","298","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C34 H28 Ca N2 O8 P2 -","- C34 H28 Ca N2 O8 P2 -","- C68 H56 Ca2 N4 O16 P4 -","2","0.5","","Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti","Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2094","2106","10.1039/c2dt32057f","","","0.71073","MoKα","","0.0473","0.0394","","","0.0901","0.0948","","","","","","1.067","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020829","10.233","0.005","12.492","0.005","13.48","0.005","76.321","0.005","87.15","0.005","87.484","0.005","1671.3","1.2","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 N2 O8 P2 Pb -","- C34 H28 N2 O8 P2 Pb -","- C68 H56 N4 O16 P4 Pb2 -","2","1","","Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti","Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2094","2106","10.1039/c2dt32057f","","","0.71073","MoKα","","0.0943","0.0722","","","0.1803","0.1932","","","","","","1.036","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020830","13.7022","0.0003","18.423","0.0003","19.8629","0.0005","90","","109.367","0.001","90","","4730.37","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 N4 O9 P2 Zn -","- C50 H50 N4 O9 P2 Zn -","- C200 H200 N16 O36 P8 Zn4 -","4","0.5","","Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti","Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2094","2106","10.1039/c2dt32057f","","","0.71073","MoKα","","0.038","0.03","","","0.0788","0.0835","","","","","","1.039","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020831","11.01","0.003","11.104","0.003","11.5","0.003","63.251","0.012","65.029","0.012","83.12","0.013","1133.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H48 Cd N4 O8 P2 -","- C50 H48 Cd N4 O8 P2 -","- C50 H48 Cd N4 O8 P2 -","1","0.5","","Dey, Rajdip; Bhattacharya, Biswajit; Colacio, Enrique; Ghoshal, Debajyoti","Fabrication of metal-organic hybrid architectures using bridging diphenyl phosphate: Syntheses, characterization, magnetic properties and the effect of weak interactions on their crystal packing.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2094","2106","10.1039/c2dt32057f","","","0.71073","MoKα","","0.0373","0.035","","","0.1071","0.1097","","","","","","1.078","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020832","16.7174","0.0017","18.2134","0.0019","15.0644","0.0016","90","","96.022","0.002","90","","4561.5","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H76 Na2 Ni12 O109 Si2 W18 -","- Na2 Ni12 O109 Si2 W18 -","- Na4 Ni24 O218 Si4 W36 -","2","0.5","","Yang, Lei; Huo, Yu; Niu, Jingyang","Combination between [B-α-SiW9O34] unit and triangular inorganic Ni6 core under hydrothermal conditions: from monomer to rare dimer with malposed dodeca-nickel centers.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","364","367","10.1039/c2dt32122j","","","0.71073","MoKα","","0.0527","0.0375","","","0.0877","0.093","","","","","","1.047","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020833","18.8278","0.0015","20.7853","0.0016","12.2101","0.001","90","","90","","90","","4778.3","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- H42 Ni6 O56 Si W9 -","- Ni6 O56 Si W9 -","- Ni24 O224 Si4 W36 -","4","0.5","","Yang, Lei; Huo, Yu; Niu, Jingyang","Combination between [B-α-SiW9O34] unit and triangular inorganic Ni6 core under hydrothermal conditions: from monomer to rare dimer with malposed dodeca-nickel centers.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","364","367","10.1039/c2dt32122j","","","0.71073","MoKα","","0.057","0.0352","","","0.0754","0.0818","","","","","","1.026","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020834","7.455","0.008","7.455","0.008","6.947","0.002","90","","90","","90","","386.1","0.6","296","2","296","2","210000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.0535","0.0418","","","0.0716","0.0727","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020835","7.39","0.004","7.39","0.004","6.9266","0.0019","90","","90","","90","","378.3","0.3","296","2","296","2","960000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.038","0.038","","","0.0849","0.0849","","","","","","1.277","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020836","6.148","0.005","4.484","0.011","13.909","0.011","90","","91.53","0.07","90","","383.3","1","296","2","296","2","1110000","","","","","","","4","P 1 21/c 1","-P 2ybc","14","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","1","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.1589","0.1368","","","0.2738","0.2888","","","","","","1.388","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020837","7.366","0.004","7.366","0.004","6.8894","0.0018","90","","90","","90","","373.8","0.3","296","2","296","2","1460000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.0423","0.0423","","","0.0984","0.0984","","","","","","1.135","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020838","14.384","0.003","4.449","0.005","18.305","0.006","90","","108.11","0.02","90","","1113.4","1.3","296","2","296","2","1620000","","","","","","","4","P 1 21/c 1","-P 2ybc","14","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H24 K12 O48 P12 -","12","3","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.0814","0.0741","","","0.1865","0.2004","","","","","","1.164","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020839","7.345","0.005","7.345","0.005","6.8756","0.0016","90","","90","","90","","370.9","0.4","296","2","296","2","1680000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.0375","0.0367","","","0.0819","0.0832","","","","","","1.155","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020840","7.34","0.007","7.34","0.007","6.865","0.003","90","","90","","90","","369.9","0.5","296","2","296","2","1760000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.0364","0.0358","","","0.0456","0.0459","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020841","7.33","0.004","7.33","0.004","6.8542","0.0013","90","","90","","90","","368.3","0.3","296","2","296","2","1910000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.0361","0.0361","","","0.0725","0.0725","","","","","","1.326","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020842","7.305","0.006","7.305","0.006","6.8316","0.0018","90","","90","","90","","364.6","0.4","296","2","296","2","2280000","","","","","","","4","I -4 2 d","I -4 2bw","122","PotassiumDihydrogenPhosphate","","","- H2 K O4 P -","- H2 K O4 P -","- H8 K4 O16 P4 -","4","0.25","","Cai, Weizhao; Katrusiak, Andrzej","Structure of the high-pressure phase IV of KH2PO4 (KDP).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","863","866","10.1039/c2dt32131a","","","0.71073","MoKα","","0.0381","0.0378","","","0.0815","0.0815","","","","","","1.193","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020843","12.716","0.003","10.577","0.002","17.53","0.004","90","","90.626","0.003","90","","2357.6","0.9","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-(dimesitylboryl)carbazole","N-(dimesitylboryl)carbazole","","- C30 H30 B N -","- C30 H30 B N -","- C120 H120 B4 N4 -","4","0.5","","Taniguchi, Takuhiro; Wang, Jian; Irle, Stephan; Yamaguchi, Shigehiro","TICT fluorescence of N-borylated 2,5-diarylpyrroles: a gear like dual motion in the excited state.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","620","624","10.1039/c2dt32134c","","","0.7107","MoKα","","0.0509","0.0417","","","0.1115","0.1187","","","","","","1.093","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020844","8.49","0.03","12.61","0.04","12.72","0.06","105.34","0.09","91.55","0.08","102.24","0.08","1278","9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","N-(dimesitylboryl)-2,5-di(2-thienyl)pyrrole","N-(dimesitylboryl)-2,5-di(2-thienyl)pyrrole","","- C30 H30 B N S2 -","- C30 H30 B N S2 -","- C60 H60 B2 N2 S4 -","2","1","","Taniguchi, Takuhiro; Wang, Jian; Irle, Stephan; Yamaguchi, Shigehiro","TICT fluorescence of N-borylated 2,5-diarylpyrroles: a gear like dual motion in the excited state.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","620","624","10.1039/c2dt32134c","","","0.7107","MoKα","","0.0942","0.0639","","","0.1834","0.2078","","","","","","1.074","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020845","7.541","0.0014","11.291","0.002","27.486","0.005","90","","95.942","0.008","90","","2327.7","0.7","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 B Br F2 N3 S2 -","- C22 H19 B Br F2 N3 S2 -","- C88 H76 B4 Br4 F8 N12 S8 -","4","1","","Singh, Atul P.; Murale, Dhiraj P.; Ha, Yonghwang; Liew, Hyunjeong; Lee, Kang Mun; Segev, Aviv; Suh, Yoo-Hun; Churchill, David G.","A novel, selective, and extremely responsive thienyl-based dual fluorogenic probe for tandem superoxide and Hg2+ chemosensing","Dalton Transactions","2013","42","10","3285","","10.1039/c2dt32135a","","","0.71073","MoKα","","0.2729","0.0671","","","0.1157","0.1691","","","","","","1.013","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020846","25.9972","0.0011","25.9972","0.0011","6.2587","0.0003","90","","90","","120","","3663.3","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C11.17 H18.02 Cu2 N0.25 O10 -","- C11.1666 H2 Cu2 N0.25 O10 -","- C100.499 H18 Cu18 N2.25 O90 -","9","0.5","","Sanz, Raúl; Martínez, Fernando; Orcajo, Gisela; Wojtas, Lukasz; Briones, David","Synthesis of a honeycomb-like Cu-based metal-organic framework and its carbon dioxide adsorption behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2392","2398","10.1039/c2dt32138f","","","1.54178","CuKα","","0.0689","0.0454","","","0.1107","0.1198","","","","","","0.994","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020847","16.612","0.003","26.014","0.004","26.372","0.004","90","","91.58","0.002","90","","11392","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C63 H110 Ag20 Cl F27 O23 S10 -","- C44 Ag20 Cl F6 O4 S10 -","- C176 Ag80 Cl4 F24 O16 S40 -","4","0.5","","Zhou, Kun; Wang, Xin-Long; Qin, Chao; Wang, Hai-Ning; Yang, Guang-Sheng; Jiao, Yan-Qing; Huang, Peng; Shao, Kui-Zhan; Su, Zhong-Min","Serendipitous anion-templated self-assembly of a sandwich-like Ag(20)S(10) macrocycle-based high-nuclearity luminescent nanocluster.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1352","1355","10.1039/c2dt32145a","","","0.71073","MoKα","","0.1312","0.076","","","0.19","0.206","","","","","","1.054","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020848","8.935","0.0006","16.675","0.0012","22.6408","0.0015","79.081","0.006","90.008","0.005","82.717","0.006","3284.5","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","Mg{HC(C(Me)NAr')2}(BH4)(THF)","","- C33 H53 B Mg N2 O -","- C33 H53 B Mg N2 O -","- C132 H212 B4 Mg4 N8 O4 -","4","2","","Collins, Richard A.; Unruangsri, Junjuda; Mountford, Philip","Synthesis and rac-lactide ring-opening polymerisation studies of new alkaline earth tetrahydroborate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","759","769","10.1039/c2dt32151c","","","1.5418","CuKα","","0.0885","0.0567","","0.0758","0.0581","0.0551","","","","","","1.1343","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020849","14.6535","0.0002","15.6432","0.0002","17.6883","0.0003","75.6264","0.0006","81.3505","0.0006","70.8144","0.0007","3699.07","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","","Ca{HC(C(Me)NAr')2}(BH4)(THF)2","","- C37 H61 B Ca N2 O2 -","- C37 H61 B Ca N2 O2 -","- C148 H244 B4 Ca4 N8 O8 -","4","2","","Collins, Richard A.; Unruangsri, Junjuda; Mountford, Philip","Synthesis and rac-lactide ring-opening polymerisation studies of new alkaline earth tetrahydroborate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","759","769","10.1039/c2dt32151c","","","0.71073","MoKα","","0.0939","0.0504","","0.0674","0.0437","0.0407","","","","","","1.1353","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020850","14.605","0.0004","15.7037","0.0004","17.8465","0.0003","76.402","0.002","81.68","0.002","70.54","0.002","3741.29","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","Sr{HC(C(Me)NAr')2}(BH4)(THF)2","","- C37 H61 B N2 O2 Sr -","- C37 H61 B N2 O2 Sr -","- C148 H244 B4 N8 O8 Sr4 -","4","2","","Collins, Richard A.; Unruangsri, Junjuda; Mountford, Philip","Synthesis and rac-lactide ring-opening polymerisation studies of new alkaline earth tetrahydroborate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","759","769","10.1039/c2dt32151c","","","1.54184","CuKα","","0.0392","0.0339","","0.0114","0.0101","0.0099","","","","","","1.0491","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020851","7.0443","0.0014","26.056","0.005","17.159","0.003","90","","107.024","0.007","90","","3011.5","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 Cl N4 O4 Re -","- C32 H26 Cl N4 O4 Re -","- C128 H104 Cl4 N16 O16 Re4 -","4","1","","Wang, Dong; Xu, Qiu-Lei; Zhang, Song; Li, Hong-Yan; Wang, Cheng-Cheng; Li, Tian-Yi; Jing, Yi-Ming; Huang, Wei; Zheng, You-Xuan; Accorsi, Gianluca","Synthesis and photoluminescence properties of rhenium(i) complexes based on 2,2':6',2''-terpyridine derivatives with hole-transporting units.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2716","2723","10.1039/c2dt32154h","","","0.71073","MoKα","","0.0616","0.0518","","","0.1416","0.1489","","","","","","1.035","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020852","10.3248","0.0006","10.3249","0.0006","11.646","0.0008","73.782","0.006","73.782","0.006","63.51","0.02","1049.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl10 Ni15 O34 Te12 -","- Cl10 Ni15 O34 Te12 -","- Cl10 Ni15 O34 Te12 -","1","0.5","","Zhang, Dong; Johnsson, Mats; Lidin, Sven; Kremer, Reinhard K.","The new nickel tellurite chloride compound Ni(15)Te(12)O(34)Cl(10)- synthesis, crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1394","1399","10.1039/c2dt32158k","","","0.71073","MoKα","","0.0273","0.0246","","","0.0688","0.0696","","","","","","1.16","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020853","25.97","0.02","11.156","0.008","16.699","0.013","90","","118.877","0.014","90","","4236","6","100","2","100","2","","","","","","","synthesis as described","6","C 1 c 1","C -2yc","9","","[CuCl(1,10-phenanthroline)(4,6-dimethylpyrimidine-2-thione)] dichloromethanate","","- C19 H18 Cl3 Cu N4 S -","- C19 H18 Cl3 Cu N4 S -","- C152 H144 Cl24 Cu8 N32 S8 -","8","2","","Papazoglou, Ioannis; Cox, Philip J.; Papadopoulos, Anastasios G.; Sigalas, Michael P.; Aslanidis, Paraskevas","Copper(i) complexes of 1,10-phenanthroline and heterocyclic thioamides: an experimental and theoretical (DFT) investigation of the photophysical characteristics.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2755","2764","10.1039/c2dt32167j","","x-ray","0.71073","MoKα","","0.093","0.0775","","","0.1741","0.1861","","","","","","1.115","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020854","7.9266","0.0011","9.2093","0.0016","13.107","0.003","85.396","0.018","72.771","0.013","67.54","0.014","844","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","CuI(1,10-phenanthroline)(pyridine-2(1H)-thione)","","","- C17 H13 Cu I N3 S -","- C17 H13 Cu I N3 S -","- C34 H26 Cu2 I2 N6 S2 -","2","1","","Papazoglou, Ioannis; Cox, Philip J.; Papadopoulos, Anastasios G.; Sigalas, Michael P.; Aslanidis, Paraskevas","Copper(i) complexes of 1,10-phenanthroline and heterocyclic thioamides: an experimental and theoretical (DFT) investigation of the photophysical characteristics.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2755","2764","10.1039/c2dt32167j","","","0.71073","MoKα","","0.0201","0.0173","","","0.0408","0.0412","","","","","","0.977","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020855","20.0069","0.0008","9.2346","0.0004","20.0827","0.0007","90","","94.0939","0.0012","90","","3700.9","0.3","103","","103","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C28 H52 N2 O9 S4 W -","- C28 H52 N2 O9 S4 W -","- C112 H208 N8 O36 S16 W4 -","4","1","","Sugimoto, Hideki; Hatakeda, Kohei; Toyota, Kazuo; Tatemoto, Susumu; Kubo, Minoru; Ogura, Takashi; Itoh, Shinobu","A new series of bis(ene-1,2-dithiolato)tungsten(iv), -(v), -(vi) complexes as reaction centre models of tungsten enzymes: Preparation, crystal structures and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","9","3059","3070","10.1039/c2dt32179c","","","0.71075","MoKα","","","0.0258","","","","0.0549","","","","","","0.971","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020856","21.7443","0.0007","10.8658","0.0003","31.2865","0.0009","90","","98.9885","0.0009","90","","7301.3","0.4","113","","113","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28 H52 N2 O10 S4 W -","- C28 H52 N2 O10 S4 W -","- C224 H416 N16 O80 S32 W8 -","8","2","","Sugimoto, Hideki; Hatakeda, Kohei; Toyota, Kazuo; Tatemoto, Susumu; Kubo, Minoru; Ogura, Takashi; Itoh, Shinobu","A new series of bis(ene-1,2-dithiolato)tungsten(iv), -(v), -(vi) complexes as reaction centre models of tungsten enzymes: Preparation, crystal structures and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","9","3059","3070","10.1039/c2dt32179c","","","0.71075","MoKα","","","0.05","","","","0.0951","","","","","","1.015","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020857","10.45548","0.00019","18.3525","0.0003","22.3689","0.0004","90","","90","","90","","4292.24","0.13","108.1","","108.1","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H51 N O9 S4 Si W -","- C36 H48 N O9 S4 Si W -","- C144 H192 N4 O36 S16 Si4 W4 -","4","1","","Sugimoto, Hideki; Hatakeda, Kohei; Toyota, Kazuo; Tatemoto, Susumu; Kubo, Minoru; Ogura, Takashi; Itoh, Shinobu","A new series of bis(ene-1,2-dithiolato)tungsten(iv), -(v), -(vi) complexes as reaction centre models of tungsten enzymes: Preparation, crystal structures and spectroscopic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","9","3059","3070","10.1039/c2dt32179c","","","0.71075","MoKα","","","0.028","","","","0.0671","","","","","","0.981","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020858","7.6897","0.0013","12.978","0.002","14.815","0.003","90","","97.387","0.003","90","","1466.2","0.4","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 B2 Mo2 N12 O6 -","- C18 H20 B2 Mo2 N12 O7 -","- C36 H40 B4 Mo4 N24 O14 -","2","0.5","","Xing, Na; Shan, Hui; Tian, Xing; Yao, Qiang; Xu, Li-Ting; Xing, Yong-Heng; Shi, Zhan","Two new scorpionate oxomolybdenum(VI)-poly(pyrazolyl)borate complexes: synthesis, structure, and catalytic performance in the oxidation of cyclohexane.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","359","363","10.1039/c2dt32184j","","","0.71073","MoKα","","0.089","0.05","","","0.1286","0.1504","","","","","","1.04","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020859","16.0143","0.0007","13.1374","0.0005","18.3143","0.0008","90","","110.961","0.001","90","","3598.1","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 B2 I6 Mo2 N12 O5 -","- C18 H14 B2 I6 Mo2 N12 O5 -","- C72 H56 B8 I24 Mo8 N48 O20 -","4","0.5","","Xing, Na; Shan, Hui; Tian, Xing; Yao, Qiang; Xu, Li-Ting; Xing, Yong-Heng; Shi, Zhan","Two new scorpionate oxomolybdenum(VI)-poly(pyrazolyl)borate complexes: synthesis, structure, and catalytic performance in the oxidation of cyclohexane.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","359","363","10.1039/c2dt32184j","","","0.71073","MoKα","","0.0482","0.0367","","","0.0816","0.0872","","","","","","1.039","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020860","10.7804","0.0008","20.6915","0.0016","18.2029","0.0014","90","","96.852","0.006","90","","4031.4","0.5","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetraethylammonium Eu(pyrazine-2,6-dicarboxylate) hydrate","","","- C30 H50 Eu N9 O16 -","- C30 H50 Eu N9 O16 -","- C120 H200 Eu4 N36 O64 -","4","1","","Moore, Evan G.; Grilj, Jakob; Vauthey, Eric; Ceroni, Paola","A comparison of sensitized Ln(iii) emission using pyridine- and pyrazine-2,6-dicarboxylates - part II.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2075","2083","10.1039/c2dt32229c","","","1.54184","CuKα","","0.1133","0.0846","","","0.2","0.2099","","","","","","0.937","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020861","10.8337","0.0005","29.429","0.002","15.1079","0.0014","90","","99.251","0.007","90","","4754.1","0.6","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Tetramethylammonium Eu(pyrazine-2,6-dicarboxylate) solvate","","","- C35 H62 Eu N9 O17 -","- C35 H62 Eu N9 O17 -","- C140 H248 Eu4 N36 O68 -","4","1","","Moore, Evan G.; Grilj, Jakob; Vauthey, Eric; Ceroni, Paola","A comparison of sensitized Ln(iii) emission using pyridine- and pyrazine-2,6-dicarboxylates - part II.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2075","2083","10.1039/c2dt32229c","","","1.54184","CuKα","","0.1619","0.1184","","","0.3073","0.3389","","","","","","1.083","","","","has coordinates","209454","2020-10-21","18:00:00",""
"7020862","26.2373","0.0002","26.2373","0.0002","26.2373","0.0002","90","","90","","90","","18061.7","0.2","298","","298","","","","","","","","","5","P m -3 m","-P 4 2 3","221","silicogermanate analogue of cloverite","","","- C10 F Ge4.39 O19.6 Si3.61 -","- C10 F Ge4.392 O19.602 Si3.608 -","- C240 F24 Ge105.408 O470.448 Si86.592 -","24","0.5","","Su, Jie; Wang, Yingxia; Lin, Jianhua; Liang, Jie; Sun, Junliang; Zou, Xiaodong","A silicogermanate with 20-ring channels directed by a simple quaternary ammonium cation.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1360","1363","10.1039/c2dt32231e","powder diffraction","","1.5406","","","","","","","","","","","1.925","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020863","16.7495","0.001","8.67","0.0005","10.8419","0.0006","90","","91.787","0.005","90","","1573.68","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 O7 Tb -","- C16 H15 O7 Tb -","- C64 H60 O28 Tb4 -","4","1","","Zeng, Cheng-Hui; Zhao, Fu-Li; Yang, Yang-Yi; Xie, Ming-Yuan; Ding, Xue-Mei; Hou, De-Jian; Ng, Seik Weng","Unusual method for phenolic hydroxyl bridged lanthanide CPs: Syntheses, characterization, one and two photon luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2052","2061","10.1039/c2dt32233a","","","1.54178","CuKα","","0.0462","0.0421","","","0.1062","0.1108","","","","","","1.046","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020864","16.7262","0.001","8.7327","0.0005","10.9737","0.0007","90","","91.995","0.006","90","","1601.9","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Nd O7 -","- C16 H13 Nd O7 -","- C64 H52 Nd4 O28 -","4","1","","Zeng, Cheng-Hui; Zhao, Fu-Li; Yang, Yang-Yi; Xie, Ming-Yuan; Ding, Xue-Mei; Hou, De-Jian; Ng, Seik Weng","Unusual method for phenolic hydroxyl bridged lanthanide CPs: Syntheses, characterization, one and two photon luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2052","2061","10.1039/c2dt32233a","","","0.71073","MoKα","","0.0806","0.068","","","0.1885","0.1959","","","","","","1.111","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020865","16.6908","0.0007","8.6945","0.0003","10.8897","0.0004","90","","91.97","0.004","90","","1579.36","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Eu O7 -","- C16 H15 Eu O7 -","- C64 H60 Eu4 O28 -","4","1","","Zeng, Cheng-Hui; Zhao, Fu-Li; Yang, Yang-Yi; Xie, Ming-Yuan; Ding, Xue-Mei; Hou, De-Jian; Ng, Seik Weng","Unusual method for phenolic hydroxyl bridged lanthanide CPs: Syntheses, characterization, one and two photon luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2052","2061","10.1039/c2dt32233a","","","0.71073","MoKα","","0.043","0.0348","","","0.0856","0.0913","","","","","","1.068","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020866","16.6988","0.0008","8.6735","0.0004","10.8705","0.0005","90","","91.91","0.004","90","","1573.58","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Gd O7 -","- C16 H15 Gd O7 -","- C64 H60 Gd4 O28 -","4","1","","Zeng, Cheng-Hui; Zhao, Fu-Li; Yang, Yang-Yi; Xie, Ming-Yuan; Ding, Xue-Mei; Hou, De-Jian; Ng, Seik Weng","Unusual method for phenolic hydroxyl bridged lanthanide CPs: Syntheses, characterization, one and two photon luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2052","2061","10.1039/c2dt32233a","","","0.71073","MoKα","","0.0982","0.0882","","","0.2123","0.2332","","","","","","1.079","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020867","10.3393","0.0012","7.2348","0.0006","14.4078","0.0015","90","","100.337","0.013","90","","1060.25","0.19","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 Eu O8 -","- C24 H19 Eu O8 -","- C48 H38 Eu2 O16 -","2","1","","Zeng, Cheng-Hui; Zhao, Fu-Li; Yang, Yang-Yi; Xie, Ming-Yuan; Ding, Xue-Mei; Hou, De-Jian; Ng, Seik Weng","Unusual method for phenolic hydroxyl bridged lanthanide CPs: Syntheses, characterization, one and two photon luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2052","2061","10.1039/c2dt32233a","","","1.54178","CuKα","","0.0422","0.0408","","","0.1083","0.1105","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020868","32.6869","0.0018","32.6869","0.0018","73.762","0.004","90","","90","","120","","68251","6","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C68 H1012 Mo60 N68 Na4 O764 S60 W72 -","- Mo60 O654.98 S60 W72 -","- Mo180 O1964.94 S180 W216 -","3","0.166667","","Schäffer, Christian; Todea, Ana Maria; Bögge, Hartmut; Floquet, Sébastien; Cadot, Emmanuel; Korenev, Vladimir S.; Fedin, Vladimir P.; Gouzerh, Pierre; Müller, Achim","A further step towards tuning the properties of metal-chalcogenide nanocapsules by replacing skeletal oxide by sulphide ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","330","333","10.1039/c2dt32247a","","","0.71073","MoKα","","0.0998","0.0624","","","0.1324","0.1591","","","","","","1.081","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020869","14.632","0.004","26.084","0.008","20.375","0.006","90","","94.221","0.006","90","","7755","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C92.5 H82 Mn3 O4 Si4 -","- C92.5 H82 Mn3 O4 Si4 -","- C370 H328 Mn12 O16 Si16 -","4","1","","Smith, Charlene A.; Tuna, Floriana; Bodensteiner, Michael; Helliwell, Madeleine; Collison, David; Layfield, Richard A.","Exchange-coupled oxygen- and sulfur-bridged cyclopentadienyl-manganese(II) cages.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","71","74","10.1039/c2dt32262e","","","0.71073","MoKα","","0.2669","0.0777","","","0.1479","0.1899","","","","","","0.749","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7020870","20.0897","0.0002","20.0897","0.0002","14.0486","0.0002","90","","90","","120","","4910.33","0.1","123","1","123","1","","","","","","","see text","5","P -3","-P 3","147","","","","- C119 H117 Mn4 S4 Si4 -","- C114 H105 Mn4 S4 Si4 -","- C228 H210 Mn8 S8 Si8 -","2","0.333333","","Smith, Charlene A.; Tuna, Floriana; Bodensteiner, Michael; Helliwell, Madeleine; Collison, David; Layfield, Richard A.","Exchange-coupled oxygen- and sulfur-bridged cyclopentadienyl-manganese(II) cages.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","71","74","10.1039/c2dt32262e","","x-ray","1.54178","CuKα","","0.0423","0.0409","","","0.1094","0.1106","","","","","","1.033","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020871","17.5122","0.001","11.4644","0.0004","22.0906","0.0015","90","","112.96","0.003","90","","4083.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H118 Mn4 N2 O28 Pr2 -","- C62 H114 Mn4 N2 O28 Pr2 -","- C124 H228 Mn8 N4 O56 Pr4 -","2","0.5","","Liu, Jinying; Ma, Chengbing; Chen, Hui; Hu, Mingqiang; Wen, Huimin; Cui, Honghua; Song, Xiaowei; Chen, Changneng","Syntheses, structures and magnetic properties of a family of heterometallic [Mn(II)(2)Mn(III)(2)Ln(III)(2)] clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2423","2430","10.1039/c2dt32269b","","","0.71073","MoKα","","0.0494","0.0444","","","0.1193","0.1247","","","","","","1.006","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020872","11.824","0.0009","12.1223","0.0007","16.2567","0.0011","93.2","","109.563","0.003","108.359","0.002","2049.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H118 Mn4 N2 Nd2 O28 -","- C62 H114 Mn4 N2 Nd2 O28 -","- C62 H114 Mn4 N2 Nd2 O28 -","1","0.5","","Liu, Jinying; Ma, Chengbing; Chen, Hui; Hu, Mingqiang; Wen, Huimin; Cui, Honghua; Song, Xiaowei; Chen, Changneng","Syntheses, structures and magnetic properties of a family of heterometallic [Mn(II)(2)Mn(III)(2)Ln(III)(2)] clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2423","2430","10.1039/c2dt32269b","","","0.71073","MoKα","","0.0385","0.0361","","","0.0969","0.0989","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7020873","17.366","0.005","11.098","0.003","22.218","0.007","90","","112.978","0.004","90","","3942","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H118 Mn4 N2 O28 Sm2 -","- C62 H114 Mn4 N2 O28 Sm2 -","- C124 H228 Mn8 N4 O56 Sm4 -","2","0.5","","Liu, Jinying; Ma, Chengbing; Chen, Hui; Hu, Mingqiang; Wen, Huimin; Cui, Honghua; Song, Xiaowei; Chen, Changneng","Syntheses, structures and magnetic properties of a family of heterometallic [Mn(II)(2)Mn(III)(2)Ln(III)(2)] clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2423","2430","10.1039/c2dt32269b","","","0.71073","MoKα","","","0.0467","","","0.131","0.1376","","","","","","1.034","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7020874","17.5106","0.0004","11.4288","0.0005","22.1104","0.0007","90","","112.586","0.002","90","","4085.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H118 Eu2 Mn4 N2 O28 -","- C62 H114 Eu2 Mn4 N2 O28 -","- C124 H228 Eu4 Mn8 N4 O56 -","2","0.5","","Liu, Jinying; Ma, Chengbing; Chen, Hui; Hu, Mingqiang; Wen, Huimin; Cui, Honghua; Song, Xiaowei; Chen, Changneng","Syntheses, structures and magnetic properties of a family of heterometallic [Mn(II)(2)Mn(III)(2)Ln(III)(2)] clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2423","2430","10.1039/c2dt32269b","","","0.71073","MoKα","","0.0421","0.037","","","0.1034","0.1102","","","","","","1.041","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020875","17.518","0.004","11.443","0.002","22.076","0.005","90","","112.838","0.003","90","","4078.4","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H118 Gd2 Mn4 N2 O28 -","- C62 H114 Gd2 Mn4 N2 O28 -","- C124 H228 Gd4 Mn8 N4 O56 -","2","0.5","","Liu, Jinying; Ma, Chengbing; Chen, Hui; Hu, Mingqiang; Wen, Huimin; Cui, Honghua; Song, Xiaowei; Chen, Changneng","Syntheses, structures and magnetic properties of a family of heterometallic [Mn(II)(2)Mn(III)(2)Ln(III)(2)] clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2423","2430","10.1039/c2dt32269b","","","0.71073","MoKα","","0.0504","0.0426","","","0.1145","0.1172","","","","","","1.021","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7020876","17.5022","0.0011","11.4368","0.0004","22.0478","0.0016","90","","112.897","0.003","90","","4065.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H118 Mn4 N2 O28 Tb2 -","- C62 H114 Mn4 N2 O28 Tb2 -","- C124 H228 Mn8 N4 O56 Tb4 -","2","0.5","","Liu, Jinying; Ma, Chengbing; Chen, Hui; Hu, Mingqiang; Wen, Huimin; Cui, Honghua; Song, Xiaowei; Chen, Changneng","Syntheses, structures and magnetic properties of a family of heterometallic [Mn(II)(2)Mn(III)(2)Ln(III)(2)] clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2423","2430","10.1039/c2dt32269b","","","0.71073","MoKα","","0.0465","0.0389","","","0.1009","0.1085","","","","","","1.015","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020877","17.5402","0.0011","11.4633","0.0004","22.0523","0.0013","90","","113.085","0.003","90","","4079","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H118 Dy2 Mn4 N2 O28 -","- C62 H114 Dy2 Mn4 N2 O28 -","- C124 H228 Dy4 Mn8 N4 O56 -","2","0.5","","Liu, Jinying; Ma, Chengbing; Chen, Hui; Hu, Mingqiang; Wen, Huimin; Cui, Honghua; Song, Xiaowei; Chen, Changneng","Syntheses, structures and magnetic properties of a family of heterometallic [Mn(II)(2)Mn(III)(2)Ln(III)(2)] clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2423","2430","10.1039/c2dt32269b","","","0.71073","MoKα","","0.0459","0.0413","","","0.1154","0.1203","","","","","","1.029","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020878","10.1313","0.0005","16.7505","0.001","17.0644","0.0008","116.909","0.003","100.253","0.002","90.025","0.003","2530.3","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C85 H21 N O3 P Re S2 -","- C85 H21 N O3 P Re S2 -","- C170 H42 N2 O6 P2 Re2 S4 -","2","1","","Chen, Chia-Hsiang; Yeh, Wen-Yann","Re-Re bond breaking of (μ-H)(3)Re(3)(CO)(11)(NCMe) upon reaction with PPh(2)(o-C(6)H(4))(CH(2)NMeCH)C(60) to generates monorhenium and dirhenium phosphino-fullerene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2488","2494","10.1039/c2dt32291a","","","0.71073","MoKα","","0.0926","0.0596","","","0.1206","0.1352","","","","","","1.07","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020879","32.402","0.003","18.559","0.002","22.676","0.003","90","","103.232","0.008","90","","13274","3","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H19 N O7 P Re2 -","- C88 H19 N O7 P Re2 -","- C704 H152 N8 O56 P8 Re16 -","8","1","","Chen, Chia-Hsiang; Yeh, Wen-Yann","Re-Re bond breaking of (μ-H)(3)Re(3)(CO)(11)(NCMe) upon reaction with PPh(2)(o-C(6)H(4))(CH(2)NMeCH)C(60) to generates monorhenium and dirhenium phosphino-fullerene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2488","2494","10.1039/c2dt32291a","","","0.71073","MoKα","","0.2002","0.0725","","","0.1471","0.1765","","","","","","0.868","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020880","10.0769","0.0002","22.5349","0.0007","24.5205","0.0006","90","","98.086","0.002","90","","5512.8","0.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86.5 H21 N O6 P Re2 S3 -","- C86.5 H21 N O6 P Re2 S3 -","- C346 H84 N4 O24 P4 Re8 S12 -","4","1","","Chen, Chia-Hsiang; Yeh, Wen-Yann","Re-Re bond breaking of (μ-H)(3)Re(3)(CO)(11)(NCMe) upon reaction with PPh(2)(o-C(6)H(4))(CH(2)NMeCH)C(60) to generates monorhenium and dirhenium phosphino-fullerene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2488","2494","10.1039/c2dt32291a","","","0.71073","MoKα","","0.1084","0.0597","","","0.1378","0.1637","","","","","","1.099","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7020881","15.829","0.003","25.054","0.005","21.256","0.004","90","","100.61","0.03","90","","8286","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H50 Mn8 N40 O35 -","- C44 H36 Mn8 N40 O35 -","- C176 H144 Mn32 N160 O140 -","4","1","","Razali, Mohd R.; Chesman, Anthony S. R.; Chilton, Nicholas F.; Langley, Stuart K.; Moubaraki, Boujemaa; Murray, Keith S.; Deacon, Glen B.; Batten, Stuart R.","Structure and magnetism of a mixed-valence octanuclear manganese(ii/iii) cluster derived from carbamoylcyanonitrosomethanide (ccnm).","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1400","1405","10.1039/c2dt32303f","","","0.71082","synchrotron","","0.1315","0.0859","","","0.2024","0.2243","","","","","","1.127","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020882","8.902","0.003","9.285","0.003","10.041","0.003","92.616","0.005","93.46","0.005","105.802","0.004","795.5","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H44 Cl2 N4 O20 P4 Ru2 -","- C12 H44 Cl2 N4 O20 P4 Ru2 -","- C12 H44 Cl2 N4 O20 P4 Ru2 -","1","0.5","","Liu, Bin; Ding, Tuo; Hua, Wei-Jie; Liu, Xue-Mei; Hu, Huai-Ming; Li, Shu-Hua; Zheng, Li-Min","Diruthenium(iii,iii) diphosphonate with a spin ground state S = 2","Dalton Transactions","2013","42","10","3429","","10.1039/c2dt32306k","","","0.71073","MoKα","","0.056","0.0405","","","0.0925","0.099","","","","","","1.013","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020883","12.132","0.002","16.893","0.003","16.69","0.003","90","","108.229","0.002","90","","3248.9","1","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H44 Cl N4 O20 P4 Ru2 -","- C12 H44 Cl N4 O20 P4 Ru2 -","- C48 H176 Cl4 N16 O80 P16 Ru8 -","4","1","","Liu, Bin; Ding, Tuo; Hua, Wei-Jie; Liu, Xue-Mei; Hu, Huai-Ming; Li, Shu-Hua; Zheng, Li-Min","Diruthenium(iii,iii) diphosphonate with a spin ground state S = 2","Dalton Transactions","2013","42","10","3429","","10.1039/c2dt32306k","","","0.71073","MoKα","","0.055","0.0381","","","0.097","0.1105","","","","","","1.036","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020884","21.844","0.005","9.699","0.005","16.066","0.005","90","0.005","90","0.005","90","0.005","3404","2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H45 Mo N5 O S3 -","- C30 H45 Mo N5 O S3 -","- C120 H180 Mo4 N20 O4 S12 -","4","1","","Mitra, Joyee; Sarkar, Sabyasachi","Modelling the reduced xanthine oxidase in active sulfo and inactive desulfo forms.","Dalton transactions (Cambridge, England : 2003)","2013","42","9","3050","3058","10.1039/c2dt32309e","","","0.71069","MoKα","","0.0797","0.0556","","","0.1452","0.212","","","","","","1.091","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020885","16.381","0.005","8.671","0.005","25.304","0.005","90","0.005","106.757","0.005","90","0.005","3442","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H45 Mo N5 O S3 -","- C32 H45 Mo N5 O S3 -","- C128 H180 Mo4 N20 O4 S12 -","4","1","","Mitra, Joyee; Sarkar, Sabyasachi","Modelling the reduced xanthine oxidase in active sulfo and inactive desulfo forms.","Dalton transactions (Cambridge, England : 2003)","2013","42","9","3050","3058","10.1039/c2dt32309e","","","0.71069","MoKα","","0.1411","0.0719","","","0.1852","0.2667","","","","","","0.998","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020886","9.436","0.005","11.629","0.005","19.4","0.005","79.233","0.005","75.964","0.005","83.538","0.005","2023.8","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H51 Mo N5 O S3 -","- C37 H51 Mo N5 O S3 -","- C74 H102 Mo2 N10 O2 S6 -","2","1","","Mitra, Joyee; Sarkar, Sabyasachi","Modelling the reduced xanthine oxidase in active sulfo and inactive desulfo forms.","Dalton transactions (Cambridge, England : 2003)","2013","42","9","3050","3058","10.1039/c2dt32309e","","","0.71069","MoKα","","0.1054","0.0686","","","0.1808","0.2308","","","","","","0.96","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020887","34.781","0.005","13.822","0.005","17.232","0.005","90","0.005","103.548","0.005","90","0.005","8054","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H104 Mo2 N10 O3 S6 -","- C77 H104 Mo2 N10 O3 S6 -","- C308 H416 Mo8 N40 O12 S24 -","4","0.5","","Mitra, Joyee; Sarkar, Sabyasachi","Modelling the reduced xanthine oxidase in active sulfo and inactive desulfo forms.","Dalton transactions (Cambridge, England : 2003)","2013","42","9","3050","3058","10.1039/c2dt32309e","","","0.71069","MoKα","","0.1368","0.0867","","","0.2131","0.2609","","","","","","1.042","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020888","8.3","0.001","6.289","0.001","12.196","0.001","90","0.05","104.58","0.05","90","0.05","616.11","0.19","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O4 -","- C14 H12 N2 O4 -","- C28 H24 N4 O8 -","2","0.5","","Cheaib, Khaled; Martel, David; Clément, Nicolas; Eckes, Fabrice; Kouaho, Stéphanie; Rogez, Guillaume; Dagorne, Samuel; Kurmoo, Mohamedally; Choua, Sylvie; Welter, Richard","Structural, magnetic and optical properties of an Fe(III) dimer bridged by the meridional planar divergent N,N'-bis(salicyl)hydrazide and its photo- and electro-chemistry in solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1406","1416","10.1039/c2dt32310a","","","0.7107","MoKα","","0.0737","0.0429","","","0.1048","0.1211","","","","","","1.033","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020889","16.1661","0.001","9.4408","0.001","21.396","0.004","90","","90","","90","","3265.5","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Cl2 Fe2 N6 O8 -","- C26 H36 Cl2 Fe2 N6 O8 -","- C104 H144 Cl8 Fe8 N24 O32 -","4","0.5","","Cheaib, Khaled; Martel, David; Clément, Nicolas; Eckes, Fabrice; Kouaho, Stéphanie; Rogez, Guillaume; Dagorne, Samuel; Kurmoo, Mohamedally; Choua, Sylvie; Welter, Richard","Structural, magnetic and optical properties of an Fe(III) dimer bridged by the meridional planar divergent N,N'-bis(salicyl)hydrazide and its photo- and electro-chemistry in solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1406","1416","10.1039/c2dt32310a","","","0.71073","MoKα","","0.1031","0.0552","","","0.128","0.1629","","","","","","1.071","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020890","9.223","0.007","18.684","0.001","20.178","0.002","114.76","0.05","92.29","0.05","91.81","0.05","3150","3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H168 Cl16 Fe8 N24 O24 -","- C72 H168 Cl16 Fe8 N24 O24 -","- C72 H168 Cl16 Fe8 N24 O24 -","1","0.5","","Cheaib, Khaled; Martel, David; Clément, Nicolas; Eckes, Fabrice; Kouaho, Stéphanie; Rogez, Guillaume; Dagorne, Samuel; Kurmoo, Mohamedally; Choua, Sylvie; Welter, Richard","Structural, magnetic and optical properties of an Fe(III) dimer bridged by the meridional planar divergent N,N'-bis(salicyl)hydrazide and its photo- and electro-chemistry in solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1406","1416","10.1039/c2dt32310a","","","0.71073","MoKα","","0.0868","0.048","","","0.1053","0.123","","","","","","1.015","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020891","25.224","0.0014","15.1903","0.0004","20.1965","0.0011","90","","137.614","0.011","90","","5216.7","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H42 B Cl6 Cu F4 N4 -","- C58 H42 B Cl6 Cu F4 N4 -","- C232 H168 B4 Cl24 Cu4 F16 N16 -","4","0.5","","Papanikolaou, Panagiotis; Mohanraj, John; Czapik, Agnieszka; Gdaniec, Maria; Accorsi, Gianluca; Akrivos, Pericles","Capturing the geometry of the emissive state of a Cu(i) red emitter through strong intramolecular stacking forces","Dalton Transactions","2013","42","10","3357","","10.1039/c2dt32324a","","","0.71073","MoKα","","0.0697","0.0612","","","0.1631","0.1709","","","","","","1.045","","","","has coordinates,has disorder","179913","2020-10-21","18:00:00",""
"7020892","13.848","0.004","17.564","0.005","19.573","0.002","90","","90","","90","","4761","2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C56 H40 Cu2 I2 N4 -","- C56 H40 Cu2 I2 N4 -","- C224 H160 Cu8 I8 N16 -","4","0.5","","Papanikolaou, Panagiotis; Mohanraj, John; Czapik, Agnieszka; Gdaniec, Maria; Accorsi, Gianluca; Akrivos, Pericles","Capturing the geometry of the emissive state of a Cu(i) red emitter through strong intramolecular stacking forces","Dalton Transactions","2013","42","10","3357","","10.1039/c2dt32324a","","","0.71073","MoKα","","0.0812","0.0628","","","0.1397","0.1531","","","","","","1.039","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020893","9.767","0.0004","14.255","0.0005","25.9891","0.0015","90","","90","","90","","3618.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H44 N4 O4 S2 -","- C39 H44 N4 O4 S2 -","- C156 H176 N16 O16 S8 -","4","1","","Castano, Brunilde; Guidone, Stefano; Gallo, Emma; Ragaini, Fabio; Casati, Nicola; Macchi, Piero; Sisti, Massimo; Caselli, Alessandro","Asymmetric cyclopropanation of olefins catalysed by Cu(i) complexes of chiral pyridine-containing macrocyclic ligands (Pc-L*).","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2451","2462","10.1039/c2dt32347h","","","0.71073","MoKα","","0.1506","0.068","","","0.0694","0.09","","","","","","0.999","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020894","11.7359","0.0002","14.7577","0.0002","23.1185","0.0003","90","","90","","90","","4004.01","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 N4 O4 S2 -","- C43 H52 N4 O4 S2 -","- C172 H208 N16 O16 S8 -","4","1","","Castano, Brunilde; Guidone, Stefano; Gallo, Emma; Ragaini, Fabio; Casati, Nicola; Macchi, Piero; Sisti, Massimo; Caselli, Alessandro","Asymmetric cyclopropanation of olefins catalysed by Cu(i) complexes of chiral pyridine-containing macrocyclic ligands (Pc-L*).","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2451","2462","10.1039/c2dt32347h","","","0.71073","MoKα","","0.0848","0.0498","","","0.088","0.101","","","","","","1.039","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020895","11.1014","0.0006","12.1313","0.0007","29.7535","0.0017","90","","90","","90","","4007","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 F3 N4 O7 S3 -","- C38 H41 F3 N4 O7 S3 -","- C152 H164 F12 N16 O28 S12 -","4","1","","Castano, Brunilde; Guidone, Stefano; Gallo, Emma; Ragaini, Fabio; Casati, Nicola; Macchi, Piero; Sisti, Massimo; Caselli, Alessandro","Asymmetric cyclopropanation of olefins catalysed by Cu(i) complexes of chiral pyridine-containing macrocyclic ligands (Pc-L*).","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2451","2462","10.1039/c2dt32347h","","","0.71069","MoKα","","0.1016","0.0728","","","0.2067","0.2337","","","","","","0.998","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020896","7.9014","0.0019","23.66","0.006","11.737","0.003","90","","94.672","0.003","90","","2186.9","0.9","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 Cl N3 Ru -","- C25 H26 Cl N3 Ru -","- C100 H104 Cl4 N12 Ru4 -","4","1","","Ogata, Kenichi; Inomata, Sayuri; Fukuzawa, Shin-Ichi","Position-selective intramolecular aromatic C-H bond activation of 1,2,3-triazol-5-ylidene (tzNHC) ligands in (p-cymene)ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2362","2365","10.1039/c2dt32368k","","","0.71075","MoKα","","","0.0303","","","","0.0703","","","","","","1.041","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020897","29.7166","0.0006","11.3579","0.0002","21.1834","0.0004","90","","129.625","0.0007","90","","5507.01","0.19","198","","198","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl3 N3 Ru -","- C28 H28 Cl3 N3 Ru -","- C224 H224 Cl24 N24 Ru8 -","8","1","","Ogata, Kenichi; Inomata, Sayuri; Fukuzawa, Shin-Ichi","Position-selective intramolecular aromatic C-H bond activation of 1,2,3-triazol-5-ylidene (tzNHC) ligands in (p-cymene)ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2362","2365","10.1039/c2dt32368k","","","0.71075","MoKα","","","0.0365","","","","0.0917","","","","","","1","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020898","22.43","0.005","13.091","0.003","23.693","0.005","90","","112.035","0.003","90","","6449","2","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 Cl6 N3 Ru -","- C29 H35 Cl6 N3 Ru -","- C232 H280 Cl48 N24 Ru8 -","8","2","","Ogata, Kenichi; Inomata, Sayuri; Fukuzawa, Shin-Ichi","Position-selective intramolecular aromatic C-H bond activation of 1,2,3-triazol-5-ylidene (tzNHC) ligands in (p-cymene)ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2362","2365","10.1039/c2dt32368k","","","0.71075","MoKα","","","0.0779","","","","0.2052","","","","","","1.037","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020899","10.8748","0.0003","9.40475","0.00019","26.8586","0.0006","90","","94.1936","0.0007","90","","2739.6","0.11","198","","198","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Cl3 N3 Ru -","- C28 H32 Cl3 N3 Ru -","- C112 H128 Cl12 N12 Ru4 -","4","1","","Ogata, Kenichi; Inomata, Sayuri; Fukuzawa, Shin-Ichi","Position-selective intramolecular aromatic C-H bond activation of 1,2,3-triazol-5-ylidene (tzNHC) ligands in (p-cymene)ruthenium(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2362","2365","10.1039/c2dt32368k","","","0.71075","MoKα","","","0.0302","","","","0.0541","","","","","","1","","","","has coordinates","179913","2020-10-21","18:00:00",""
"7020900","27.837","0.006","16.993","0.003","8.3185","0.0017","90","","103.96","0.03","90","","3818.7","1.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H27 Ge La N6 S4 -","- C8 H27 Ge La N6 S4 -","- C64 H216 Ge8 La8 N48 S32 -","8","1","","Zhou, Jian; Li, Rong; Ling, Xing; Chen, Rong; Hu, Feilong; Zeng, Yanfang","The first examples of thiogermanate anion [GeS(3)(SH)](3-) as a bridging ligand to a lanthanide complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1961","1964","10.1039/c2dt32389c","","","0.71073","MoKα","","0.0254","0.023","","","0.0564","0.0575","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020901","27.694","0.006","16.845","0.004","8.2868","0.0018","90","","103.791","0.002","90","","3754.4","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H27 Ge N6 Nd S4 -","- C8 H27 Ge N6 Nd S4 -","- C64 H216 Ge8 N48 Nd8 S32 -","8","1","","Zhou, Jian; Li, Rong; Ling, Xing; Chen, Rong; Hu, Feilong; Zeng, Yanfang","The first examples of thiogermanate anion [GeS(3)(SH)](3-) as a bridging ligand to a lanthanide complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1961","1964","10.1039/c2dt32389c","","","0.71073","MoKα","","0.0241","0.0213","","","0.047","0.0482","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020902","14.1354","0.0015","16.2354","0.0016","18.261","0.0019","85.536","0.002","87.94","0.002","88.518","0.002","4174.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H96 Ag As8 Mo12 N14 O74 -","- C7 Ag As8 Mo12 N7 O79 -","- C14 Ag2 As16 Mo24 N14 O158 -","2","1","","Ma, Ying; Xue, Qi; Min, Suotian; Zhang, Yanping; Hu, Huaiming; Gao, Shengli; Xue, Ganglin","An unusual fan-type polyanion with a silver cation located at the axial center, [AgAsIII2(AsIIIAsVMo4O18(OH)2)3]11−","Dalton Transactions","2013","42","10","3410","","10.1039/c2dt32401f","","","0.71073","MoKα","","0.0734","0.0562","","","0.1415","0.1513","","","","","","1.042","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020903","40.5296","0.0017","9.2215","0.0004","24.1373","0.0009","90","","112.269","0.0014","90","","8348.3","0.6","103","","103","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40.5 H63 Cl Cu N4 O4 -","- C39.5 H63 Cl Cu N4 O4 -","- C316 H504 Cl8 Cu8 N32 O32 -","8","1","","Takaichi, June; Ohkubo, Kei; Sugimoto, Hideki; Nakano, Motohiro; Usa, Daisuke; Maekawa, Hiroaki; Fujieda, Nobutaka; Nishiwaki, Nagatoshi; Seki, Shu; Fukuzumi, Shunichi; Itoh, Shinobu","Copper complexes of the non-innocent β-diketiminate ligand containing phenol groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2438","2444","10.1039/c2dt32413j","","","0.71075","MoKa","","","0.0644","","","","0.1861","","","","","","0.951","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020904","13.6036","0.0004","11.523","0.0004","19.6796","0.0006","90","","106.893","0.0008","90","","2951.75","0.16","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 Cu N3 O4 -","- C31 H42 Cu N3 O4 -","- C124 H168 Cu4 N12 O16 -","4","1","","Takaichi, June; Ohkubo, Kei; Sugimoto, Hideki; Nakano, Motohiro; Usa, Daisuke; Maekawa, Hiroaki; Fujieda, Nobutaka; Nishiwaki, Nagatoshi; Seki, Shu; Fukuzumi, Shunichi; Itoh, Shinobu","Copper complexes of the non-innocent β-diketiminate ligand containing phenol groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2438","2444","10.1039/c2dt32413j","","","0.71075","MoKa","","","0.0489","","","","0.1488","","","","","","0.979","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020905","17.0543","0.0017","15.1828","0.0016","23.843","0.003","90","","90","","90","","6173.7","1.2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H32 Cl4 I N3 O2 Ru -","- C29 H32 Cl4 I N3 O2 Ru -","- C232 H256 Cl32 I8 N24 O16 Ru8 -","8","1","","Barbasiewicz, Michał; Błocki, Krzysztof; Malińska, Maura; Pawłowski, Robert","Intriguing substituent effect in modified Hoveyda-Grubbs metathesis catalysts incorporating a chelating iodo-benzylidene ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","355","358","10.1039/c2dt32422a","","","0.71073","MoKα","","0.0391","0.0313","","","0.0866","0.0928","","","","","","1.067","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020906","5.4358","0.0005","8.4942","0.0006","8.5389","0.0006","94.503","0.005","90.58","0.006","104.865","0.005","379.71","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 Li4 N2 O10 -","- C10 H16 Li4 N2 O10 -","- C10 H16 Li4 N2 O10 -","1","0.5","","Cheng, Pei-Chi; Lin, Wei-Cheng; Tseng, Feng-Shuen; Kao, Ching-Che; Chang, Ting-Guang; Senthil Raja, Duraisamy; Liu, Wei-Ren; Lin, Chia-Her","Syntheses, structures, and properties of multidimensional lithium coordination polymers based on aliphatic carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2765","2772","10.1039/c2dt32424e","","","0.71073","MoKα","","0.0996","0.0602","","","0.131","0.1443","","","","","","1.004","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020907","5.1344","0.0001","7.7339","0.0002","9.3901","0.0002","107.138","0.001","98.099","0.001","93.374","0.001","350.77","0.014","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H7 Li2 O6 -","- C4 H7 Li2 O6 -","- C8 H14 Li4 O12 -","2","1","","Cheng, Pei-Chi; Lin, Wei-Cheng; Tseng, Feng-Shuen; Kao, Ching-Che; Chang, Ting-Guang; Senthil Raja, Duraisamy; Liu, Wei-Ren; Lin, Chia-Her","Syntheses, structures, and properties of multidimensional lithium coordination polymers based on aliphatic carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2765","2772","10.1039/c2dt32424e","","","0.71073","MoKα","","0.039","0.0327","","","0.0857","0.0908","","","","","","0.823","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020908","5.4998","0.0002","10.6053","0.0004","15.2719","0.0006","90","","99.942","0.002","90","","877.39","0.06","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 Li N O5 -","- C6 H13 Li N O5 -","- C24 H52 Li4 N4 O20 -","4","1","","Cheng, Pei-Chi; Lin, Wei-Cheng; Tseng, Feng-Shuen; Kao, Ching-Che; Chang, Ting-Guang; Senthil Raja, Duraisamy; Liu, Wei-Ren; Lin, Chia-Her","Syntheses, structures, and properties of multidimensional lithium coordination polymers based on aliphatic carboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2765","2772","10.1039/c2dt32424e","","","0.71073","MoKα","","0.0553","0.0405","","","0.1079","0.1167","","","","","","1.068","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020909","6.95","0.003","8.79","0.004","9.222","0.004","91.046","0.005","107.069","0.005","107.313","0.005","510.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 Cl6 Mo2 O4 -","- C10 H20 Cl6 Mo2 O4 -","- C10 H20 Cl6 Mo2 O4 -","1","0.5","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The interaction of molybdenum pentachloride with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2477","2487","10.1039/c2dt32456c","","","0.71073","MoKα","","0.0811","0.0802","","","0.2362","0.2366","","","","","","1.133","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020910","8.3472","0.001","13.0488","0.0015","12.3362","0.0015","90","","90.835","0.001","90","","1343.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Cl4 Mo N4 O2 -","- C18 H40 Cl4 Mo N4 O2 -","- C36 H80 Cl8 Mo2 N8 O4 -","2","0.5","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The interaction of molybdenum pentachloride with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2477","2487","10.1039/c2dt32456c","","","0.71073","MoKα","","0.023","0.0213","","","0.0497","0.0504","","","","","","1.125","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020911","23.062","0.006","8.432","0.002","24.351","0.006","90","","114.632","0.003","90","","4304.4","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Cl7 Mo N2 O3 -","- C16 H10 Cl7 Mo N2 O3 -","- C128 H80 Cl56 Mo8 N16 O24 -","8","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The interaction of molybdenum pentachloride with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2477","2487","10.1039/c2dt32456c","","","0.71073","MoKα","","0.056","0.0376","","","0.0856","0.0942","","","","","","1.047","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020912","14.3982","0.0015","9.6192","0.001","17.9639","0.0019","90","","110.317","0.001","90","","2333.2","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 Cl7 Mo N2 O4 -","- C17 H12 Cl7 Mo N2 O4 -","- C68 H48 Cl28 Mo4 N8 O16 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The interaction of molybdenum pentachloride with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2477","2487","10.1039/c2dt32456c","","","0.71073","MoKα","","0.0466","0.039","","","0.0926","0.0966","","","","","","1.028","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020913","7.9367","0.0015","9.3654","0.0017","14.858","0.003","98.165","0.002","94.358","0.002","108.054","0.002","1030.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12.5 H23 Cl6 Mo N2 O2 -","- C12.5 H23 Cl6 Mo N2 O2 -","- C25 H46 Cl12 Mo2 N4 O4 -","2","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The interaction of molybdenum pentachloride with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2477","2487","10.1039/c2dt32456c","","","0.71073","MoKα","","0.0681","0.0531","","","0.1335","0.1449","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020914","28.326","0.004","6.7809","0.0009","25.61","0.004","90","","116.79","0.002","90","","4391.1","1.1","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H15 Cl N4 Pt -","- C21 H15 Cl N4 Pt -","- C168 H120 Cl8 N32 Pt8 -","8","1","","Hope, Jennifer M.; Wilson, Justin J.; Lippard, Stephen J.","Photoluminescent DNA binding and cytotoxic activity of a platinum(ii) complex bearing a tetradentate β-diketiminate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","9","3176","3180","10.1039/c2dt32462h","","","0.71073","MoKα","","0.052952","0.043895","","","","0.127743","","","","","","1.01556","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020915","27.021","0.004","13.1464","0.0012","17.215","0.003","90","","121.3","0.02","90","","5225.2","1.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H58 Ca Cl4 N8 O2 -","- C56 H58 Ca Cl4 N8 O2 -","- C224 H232 Ca4 Cl16 N32 O8 -","4","0.5","","Hsiao, Mon-Wei; Lin, Chu-Chieh","Ring-opening polymerization of l-lactide catalyzed by calcium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2041","2051","10.1039/c2dt32487c","","","0.7107","MoKα","","0.0681","0.0521","","","0.1667","0.174","","","","","","1.087","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020916","10.0497","0.001","16.055","0.003","19.54","0.003","90","","92.412","0.012","90","","3149.9","0.8","114","3","114","3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 Ca N4 O4 -","- C25.071 H16 Ca N4 O4 -","- C100.284 H64 Ca4 N16 O16 -","4","1","","Hsiao, Mon-Wei; Lin, Chu-Chieh","Ring-opening polymerization of l-lactide catalyzed by calcium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2041","2051","10.1039/c2dt32487c","","","0.7107","MoKα","","0.1743","0.0987","","","0.2263","0.2538","","","","","","1.027","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020917","7.9596","0.0012","10.4276","0.0015","11.7207","0.0018","112.87","0.009","94.83","0.009","107.321","0.006","833.3","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H38 N6 O4 P2 Pd S4 -","- C24 H38 N6 O4 P2 Pd S4 -","- C24 H38 N6 O4 P2 Pd S4 -","1","0.5","","Safin, Damir A.; Babashkina, Maria G.; Garcia, Yann","First paramagnetic Pd(II) complex with a PdN4S2 coordination core.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","902","905","10.1039/c2dt32505e","","","0.71073","MoKα","","0.0581","0.0363","","","0.0641","0.0709","","","","","","1.018","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020918","13.4231","0.0002","17.6047","0.0002","34.0211","0.0004","90","","99.6903","0.0006","90","","7924.81","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1'-(diphenylphosphino)ferrocenyl]methanol-borane (1/1)","","- C23 H24 B Fe O P -","- C23 H24 B Fe O P -","- C368 H384 B16 Fe16 O16 P16 -","16","4","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.0885","0.0506","","","0.1209","0.1405","","","","","","1.041","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7020919","8.7423","0.0002","9.3366","0.0003","24.9336","0.0008","90","","90","","90","","2035.16","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","[(Sp)-2-(diphenylphosphino)ferrocenyl]methanol‒borane (1/1)","","- C23 H24 B Fe O P -","- C23 H24 B Fe O P -","- C92 H96 B4 Fe4 O4 P4 -","4","1","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.0429","0.0344","","","0.0692","0.0729","","","","","","1.047","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7020920","13.33","0.0008","17.5284","0.001","34.422","0.002","90","","100.118","0.002","90","","7917.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 B Fe P -","- C23 H24 B Fe P -","- C368 H384 B16 Fe16 P16 -","16","4","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.0874","0.0422","","","0.0891","0.1042","","","","","","1.011","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020921","9.4573","0.0002","13.4113","0.0003","17.4666","0.0004","88.596","0.001","81.764","0.001","75.498","0.001","2122.52","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","1-(diphenylphosphino)-1'-(methoxymethyl)ferrocene-borane (1/1)","","- C24 H26 B Fe O P -","- C24 H26 B Fe O P -","- C96 H104 B4 Fe4 O4 P4 -","4","2","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.052","0.0416","","","0.1056","0.1091","","","","","","1.145","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7020922","10.896","0.0002","17.2531","0.0003","10.9826","0.0002","90","","106.343","0.0011","90","","1981.19","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(diphenylphosphino)-1'-(methoxymethyl)ferrocene","","- C24 H23 Fe O P -","- C24 H23 Fe O P -","- C96 H92 Fe4 O4 P4 -","4","1","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.035","0.028","","","0.07","0.0726","","","","","","1.051","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020923","9.7055","0.0008","10.2413","0.0011","30.665","0.002","90","","98.795","0.008","90","","3012.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H37 Cl2 Fe O P Ru -","- C34 H37 Cl2 Fe O P Ru -","- C136 H148 Cl8 Fe4 O4 P4 Ru4 -","4","1","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.0857","0.0567","","","0.1012","0.1116","","","","","","1.157","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020924","10.575","0.0007","13.9675","0.0008","14.6","0.0008","96.764","0.004","97.044","0.005","111.478","0.006","1960.5","0.2","150","2","150","2","","","","","","","","10","P -1","-P 1","2","","","","- C36.5 H40.5 Cl2.5 F6 Fe N O P Ru Sb -","- C36.5 H40.5 Cl2.5 F6 Fe N O P Ru Sb -","- C73 H81 Cl5 F12 Fe2 N2 O2 P2 Ru2 Sb2 -","2","1","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.0371","0.0274","","","0.062","0.0698","","","","","","1.13","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020925","13.4772","0.0003","9.1167","0.0002","17.3793","0.0004","90","","98.485","0.001","90","","2111.98","0.08","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H46 Cl2 Fe2 O2 P2 Pd -","- C48 H46 Cl2.01 Fe2 O2 P2 Pd -","- C96 H92 Cl4.02 Fe4 O4 P4 Pd2 -","2","0.5","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.0446","0.0309","","","0.0723","0.0772","","","","","","1.073","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020926","22.7193","0.0003","18.7832","0.0003","15.3334","0.0002","90","","131.434","0.0006","90","","4905.73","0.13","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H48 Cl6 Fe2 O2 P2 Pd2 -","- C48 H46 Cl4 Fe2 O2 P2 Pd2 -","- C192 H184 Cl16 Fe8 O8 P8 Pd8 -","4","0.5","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.0465","0.0427","","","0.1081","0.1107","","","","","","1.05","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020927","13.4348","0.0004","9.1071","0.0003","17.4178","0.0007","90","","98.86","0.001","90","","2105.67","0.13","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H46 Cl2 Fe2 O2 P2 Pt -","- C48 H46 Cl2 Fe2 O2 P2 Pt -","- C96 H92 Cl4 Fe4 O4 P4 Pt2 -","2","0.5","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.0218","0.0168","","","0.0368","0.0382","","","","","","1.027","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020928","13.1234","0.0003","26.056","0.0006","13.6517","0.0003","90","","102.489","0.001","90","","4557.65","0.18","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C49 H48 Cu F3 Fe2 O6 P2 S -","- C49 H48 Cu F3 Fe2 O6 P2 S -","- C196 H192 Cu4 F12 Fe8 O24 P8 S4 -","4","1","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.0658","0.0583","","","0.1527","0.1602","","","","","","1.04","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020929","6.4488","0.0003","7.7891","0.0004","39.978","0.002","90","","90","","90","","2008.11","0.17","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 Fe O P -","- C23 H31 Fe O P -","- C92 H124 Fe4 O4 P4 -","4","1","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.0788","0.0446","","","0.0905","0.1052","","","","","","1.005","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020930","6.3769","0.0001","7.9364","0.0002","39.9711","0.0008","90","","90","","90","","2022.92","0.07","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Br Fe P -","- C22 H30 Br Fe P -","- C88 H120 Br4 Fe4 P4 -","4","1","","Štěpnička, Petr; Císařová, Ivana","Selective borane reduction of phosphinoferrocene carbaldehydes to phosphinoalcohol‒borane adducts. The coordination behaviour of 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new ferrocene O,P-hybrid donor prepared from such an adduct","Dalton Transactions","2013","42","10","3373","","10.1039/c2dt32511j","","","0.71073","MoKα","","0.053","0.044","","","0.1118","0.116","","","","","","1.116","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020931","21.7696","0.0013","21.7696","0.0013","8.7212","0.0007","90","","90","","120","","3579.4","0.4","122.3","0.2","122.3","0.2","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- C10 H9.6 Cu O5.8 -","- C10 H8 Cu O5 -","- C120 H96 Cu12 O60 -","12","1","","Shen, Bo; Shi, Peng-Fei; Hou, Yin-Ling; Wan, Fan-Fan; Gao, Dong-Liang; Zhao, Bin","Structural diversity and magnetic properties of five copper‒organic frameworks containing one-, two-, and three-types of organic ligands","Dalton Transactions","2013","42","10","3455","","10.1039/c2dt32515b","","","0.7107","MoKα","","0.0716","0.0488","","","0.0979","0.1057","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020932","22.116","0.002","11.5791","0.0006","16.8051","0.0018","90","","130.986","0.016","90","","3248.6","0.9","122.3","0.2","122.3","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H15.5 Cu N1.5 O5.5 -","- C16.5 H12 Cu N1.5 O5.5 -","- C132 H96 Cu8 N12 O44 -","8","1","","Shen, Bo; Shi, Peng-Fei; Hou, Yin-Ling; Wan, Fan-Fan; Gao, Dong-Liang; Zhao, Bin","Structural diversity and magnetic properties of five copper‒organic frameworks containing one-, two-, and three-types of organic ligands","Dalton Transactions","2013","42","10","3455","","10.1039/c2dt32515b","","","0.7107","MoKα","","0.082","0.0594","","","0.1446","0.1609","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7020933","23.934","0.007","29.782","0.005","10.9902","0.0018","90","","90","","90","","7834","3","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H19 Cu N2 O6.5 -","- C20 H18 Cu N2 O6.5 -","- C320 H288 Cu16 N32 O104 -","16","1","","Shen, Bo; Shi, Peng-Fei; Hou, Yin-Ling; Wan, Fan-Fan; Gao, Dong-Liang; Zhao, Bin","Structural diversity and magnetic properties of five copper‒organic frameworks containing one-, two-, and three-types of organic ligands","Dalton Transactions","2013","42","10","3455","","10.1039/c2dt32515b","","","0.7107","MoKα","","0.1433","0.0754","","","0.1457","0.1785","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7020934","29.8354","0.0013","11.8641","0.0005","11.1225","0.0004","90","","90","","90","","3937","0.3","122.3","0.2","122.3","0.2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C40 H37 Cl Cu2 N4 O13 -","- C40 H37 Cl Cu2 N4 O13 -","- C160 H148 Cl4 Cu8 N16 O52 -","4","1","","Shen, Bo; Shi, Peng-Fei; Hou, Yin-Ling; Wan, Fan-Fan; Gao, Dong-Liang; Zhao, Bin","Structural diversity and magnetic properties of five copper‒organic frameworks containing one-, two-, and three-types of organic ligands","Dalton Transactions","2013","42","10","3455","","10.1039/c2dt32515b","","","0.7107","MoKα","","0.1011","0.0791","","","0.1797","0.1975","","","","","","1.035","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020935","11.2073","0.0006","28.6467","0.0017","21.996","0.0014","90","","117.764","0.004","90","","6248.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H58 Cl2 Cu3 N8 O20 -","- C60 H57 Cl2 Cu3 N8 O20 -","- C240 H228 Cl8 Cu12 N32 O80 -","4","1","","Shen, Bo; Shi, Peng-Fei; Hou, Yin-Ling; Wan, Fan-Fan; Gao, Dong-Liang; Zhao, Bin","Structural diversity and magnetic properties of five copper‒organic frameworks containing one-, two-, and three-types of organic ligands","Dalton Transactions","2013","42","10","3455","","10.1039/c2dt32515b","","","0.71073","MOKα","","0.1945","0.0763","","","0.1461","0.1708","","","","","","0.817","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020936","16.0095","0.0003","16.0095","0.0003","15.8189","0.0004","90","","90","","120","","3511.26","0.13","150","","150","","","","","","","","syn","6","R 3 :H","R 3","146","","","","- C48 H29 B F27 O P -","- C48 H28.9999 B F27 O P -","- C144 H86.9997 B3 F81 O3 P3 -","3","0.333333","","Travis, Alastair L.; Binding, Samantha C.; Zaher, Hasna; Arnold, Thomas A. Q.; Buffet, Jean-Charles; O'Hare, Dermot","Small molecule activation by frustrated Lewis pairs.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2431","2437","10.1039/c2dt32525j","","","0.71073","MoKα","","0.0719","0.0421","","0.1056","0.0817","0.1056","","","","","","0.9714","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020937","16.0783","0.0006","16.0783","0.0006","74.528","0.006","90","","90","","120","","16685.2","1.6","123","","123","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C90 H99 Cl6 F18 Ir6 N12 O9 P3 -","- C90 H96 Cl6 F18 Ir6 N12 O9 P3 -","- C540 H576 Cl36 F108 Ir36 N72 O54 P18 -","6","0.333333","","Inui, Yuji; Shiro, Motoo; Kusukawa, Takahiro; Fukuzumi, Shunichi; Kojima, Takahiko","A triangular prismatic hexanuclear iridium(iii) complex bridged by flavin analogues showing reversible redox processes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2773","2778","10.1039/c2dt32535g","","","1.54187","CuKα","","","0.0965","","","","0.2415","","","","","","1.092","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020938","13.172","0.003","15.897","0.003","19.059","0.004","70.363","0.004","83.939","0.004","67.134","0.003","3461.9","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Mn3 N2 O21 -","- C64 H92 Mn3 N2 O21 -","- C128 H184 Mn6 N4 O42 -","2","1","","Sanchez-Ballester, Noelia M; Shrestha, Lok Kumar; Elsegood, Mark R. J.; Schmitt, Wolfgang; Ariga, Katsuhiko; Anson, Christopher E.; Hill, Jonathan P.; Powell, Annie K.","Ligand displacement for fixing manganese: relevance to cellular metal ion transport and synthesis of polymeric coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2779","2785","10.1039/c2dt32547k","","","0.71073","MoKα","","0.1827","0.0744","","","0.1548","0.2054","","","","","","0.982","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020939","11.7606","0.0008","21.3505","0.0008","26.7827","0.0017","90","","91.494","0.008","90","","6722.7","0.7","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H86 Mn3 N2 O19 -","- C63 H78.5 Mn3 N2 O19 -","- C252 H314 Mn12 N8 O76 -","4","1","","Sanchez-Ballester, Noelia M; Shrestha, Lok Kumar; Elsegood, Mark R. J.; Schmitt, Wolfgang; Ariga, Katsuhiko; Anson, Christopher E.; Hill, Jonathan P.; Powell, Annie K.","Ligand displacement for fixing manganese: relevance to cellular metal ion transport and synthesis of polymeric coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2779","2785","10.1039/c2dt32547k","","","0.71073","MoKα","","0.1123","0.0567","","","0.1152","0.1224","","","","","","1.011","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020940","9.411","0.005","16.39","0.008","37.968","0.019","90","","90","","90","","5856","5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H38 Fe N O7 -","- C31 H36 Fe N O7 -","- C248 H288 Fe8 N8 O56 -","8","1","","Sanchez-Ballester, Noelia M; Shrestha, Lok Kumar; Elsegood, Mark R. J.; Schmitt, Wolfgang; Ariga, Katsuhiko; Anson, Christopher E.; Hill, Jonathan P.; Powell, Annie K.","Ligand displacement for fixing manganese: relevance to cellular metal ion transport and synthesis of polymeric coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2779","2785","10.1039/c2dt32547k","","","0.71073","MoKα","","0.132","0.0659","","","0.1266","0.1454","","","","","","1.007","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020941","9.556","0.002","16.496","0.004","38.041","0.009","90","","90","","90","","5997","2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H40 Fe N O7 -","- C32 H40 Fe N O7 -","- C256 H320 Fe8 N8 O56 -","8","1","","Sanchez-Ballester, Noelia M; Shrestha, Lok Kumar; Elsegood, Mark R. J.; Schmitt, Wolfgang; Ariga, Katsuhiko; Anson, Christopher E.; Hill, Jonathan P.; Powell, Annie K.","Ligand displacement for fixing manganese: relevance to cellular metal ion transport and synthesis of polymeric coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2779","2785","10.1039/c2dt32547k","","","0.71073","MoKα","","0.0572","0.0466","","","0.1032","0.1078","","","","","","1.106","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020942","9.4671","0.001","16.4024","0.0017","37.998","0.004","90","","90","","90","","5900.4","1.1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H37 Fe N O8 -","- C31 H37 Fe N O8 -","- C248 H296 Fe8 N8 O64 -","8","1","","Sanchez-Ballester, Noelia M; Shrestha, Lok Kumar; Elsegood, Mark R. J.; Schmitt, Wolfgang; Ariga, Katsuhiko; Anson, Christopher E.; Hill, Jonathan P.; Powell, Annie K.","Ligand displacement for fixing manganese: relevance to cellular metal ion transport and synthesis of polymeric coordination complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2779","2785","10.1039/c2dt32547k","","","0.71073","MoKα","","0.0911","0.051","","","0.1127","0.1281","","","","","","1.036","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020943","11.1515","0.0002","7.8616","0.0001","14.1583","0.0002","90","","109.389","0.007","90","","1170.84","0.06","100","","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Mn O3 -","- C12 H15 Mn O3 -","- C48 H60 Mn4 O12 -","4","1","","Lugan, Noël; Fernández, Israel; Brousses, Rémy; Valyaev, Dmitry A.; Lavigne, Guy; Ustynyuk, Nikolai A.","On the incidence of non-covalent intramolecular interligand interactions on the conformation of carbene complexes: a case study.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","898","901","10.1039/c2dt32554c","","x-ray","0.71069","MoKα","","0.013","0.013","","","0.0176","0.0176","","","","","","1.13","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020944","40.03","0.003","12.6014","0.0018","21.3785","0.0015","90","","92.539","0.003","90","","10773.5","1.9","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H86 N20 O19 Pd4 -","- C94 H86 N20 O19 Pd4 -","- C376 H344 N80 O76 Pd16 -","4","0.5","","Yao, Liao-Yuan; Yu, Zheng-Su; Qin, Lin; Li, Yi-Zhi; Qin, Yu; Yu, Shu-Yan","Self-assembly of metallomacrocycles with dipyrazole ligands and anion sensing of [Pd4Fe2] macrocycle with ferrocene-based dipyrazole ligand","Dalton Transactions","2013","42","10","3447","","10.1039/c2dt32576d","","","0.71073","MoKα","","0.0887","0.0651","","","0.1322","0.1372","","","","","","1.094","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020945","26.922","0.012","26.922","0.012","15.467","0.005","90","","90","","90","","11210","8","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C84 H80 Fe2 N20 O12 Pd4 -","- C84 H80 Fe2 N20 O12 Pd4 -","- C336 H320 Fe8 N80 O48 Pd16 -","4","0.25","","Yao, Liao-Yuan; Yu, Zheng-Su; Qin, Lin; Li, Yi-Zhi; Qin, Yu; Yu, Shu-Yan","Self-assembly of metallomacrocycles with dipyrazole ligands and anion sensing of [Pd4Fe2] macrocycle with ferrocene-based dipyrazole ligand","Dalton Transactions","2013","42","10","3447","","10.1039/c2dt32576d","","","0.71073","MoKα","","0.0737","0.0413","","","0.0766","0.0833","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020946","18.2124","0.0007","19.5173","0.0008","21.1956","0.0008","100.234","0.01","102.677","0.01","116.684","0.01","6229.2","1","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C128 H136 Cu4 N26 O5 -","- C128 H136 Cu4 N26 O5 -","- C256 H272 Cu8 N52 O10 -","2","1","","Mathias, Jenny-Lee; Arora, Himanshu; Lavi, Ronit; Vezin, Hervé; Yufit, Dmitry; Orio, Maylis; Aliaga-Alcade, Núria; Benisvy, Laurent","Redox-switchable tetra-copper assembly of N,N-, N,O-phenolate-phenanthroimidazolate bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2358","2361","10.1039/c2dt32585c","","x-ray","0.71073","MoKα","K-L~3~","0.1819","0.0653","","","0.1462","0.1787","","","","","","0.924","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020947","34.697","0.0014","10.1721","0.0004","40.0954","0.0015","90","","93.183","0.01","90","","14129.5","1","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C134 H174 Cu4 N16 O13 S5 -","- C134 H174 Cu4 N16 O13 S5 -","- C536 H696 Cu16 N64 O52 S20 -","4","0.5","","Mathias, Jenny-Lee; Arora, Himanshu; Lavi, Ronit; Vezin, Hervé; Yufit, Dmitry; Orio, Maylis; Aliaga-Alcade, Núria; Benisvy, Laurent","Redox-switchable tetra-copper assembly of N,N-, N,O-phenolate-phenanthroimidazolate bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2358","2361","10.1039/c2dt32585c","","x-ray","0.71073","MoKα","K-L~3~","0.11","0.0815","","","0.2416","0.2607","","","","","","1.076","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020948","14.69","0.0005","19.0583","0.0006","21.3387","0.0007","105.251","0.001","107.43","0.002","100.373","0.001","5277.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H78 Cl O12 Si7 Ta -","- C38 H78 Cl O12 Si7 Ta -","- C152 H312 Cl4 O48 Si28 Ta4 -","4","2","","Guillo, Pascal; Fasulo, Meg E.; Lipschutz, Michael I.; Tilley, T. Don","Synthesis and characterization of tantalum silsesquioxane complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1991","1995","10.1039/c2dt32601a","","","0.71073","MoKα","","0.0367","0.0286","","","0.0895","0.1117","","","","","","1.137","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020949","10.4766","0.0007","11.7685","0.0007","22.126","0.0015","78.832","0.003","79.71","0.003","79.243","0.003","2600.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H81 O12 Si7 Ta -","- C39 H81 O12 Si7 Ta -","- C78 H162 O24 Si14 Ta2 -","2","1","","Guillo, Pascal; Fasulo, Meg E.; Lipschutz, Michael I.; Tilley, T. Don","Synthesis and characterization of tantalum silsesquioxane complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1991","1995","10.1039/c2dt32601a","","","0.71073","MoKα","","0.0249","0.0231","","","0.0559","0.0575","","","","","","1.066","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020950","13.252","0.005","10.146","0.005","44.599","0.005","90","0.005","93.033","0.005","90","0.005","5988","4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H84 F3 O15 S Si7 Ta -","- C45 H84 F3 O15 S Si7 Ta -","- C180 H336 F12 O60 S4 Si28 Ta4 -","4","1","","Guillo, Pascal; Fasulo, Meg E.; Lipschutz, Michael I.; Tilley, T. Don","Synthesis and characterization of tantalum silsesquioxane complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1991","1995","10.1039/c2dt32601a","","","0.71069","MoKα","","0.1167","0.0905","","","0.1828","0.1898","","","","","","1.33","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020951","13.3982","0.0017","29.185","0.004","40.772","0.005","97.778","0.007","90.888","0.008","92.306","0.008","15780","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","pg282","","","- C62 H78 B F20 O12 Si7 Ta -","- C62 H78 B F20 O12 Si7 Ta -","- C496 H624 B8 F160 O96 Si56 Ta8 -","8","4","","Guillo, Pascal; Fasulo, Meg E.; Lipschutz, Michael I.; Tilley, T. Don","Synthesis and characterization of tantalum silsesquioxane complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1991","1995","10.1039/c2dt32601a","","","0.71073","MoKα","","0.1111","0.0693","","","0.165","0.18","","","","","","1.067","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020952","14.324","0.005","14.832","0.005","19.356","0.005","102.447","0.005","90.694","0.005","94.252","0.005","4003","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H84 B F20 N2 O12 Si7 Ta -","- C66 H84 B F20 N2 O12 Si7 Ta -","- C132 H168 B2 F40 N4 O24 Si14 Ta2 -","2","1","","Guillo, Pascal; Fasulo, Meg E.; Lipschutz, Michael I.; Tilley, T. Don","Synthesis and characterization of tantalum silsesquioxane complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1991","1995","10.1039/c2dt32601a","","","0.71069","MoKα","","0.1189","0.083","","","0.2084","0.2439","","","","","","1.072","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020953","8.5671","0.0012","11.2992","0.0016","22.491","0.003","96.168","0.006","97.986","0.006","111.107","0.006","1982","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H51 B10 Cl2 N -","- C31 H51 B10 Cl2 N -","- C62 H102 B20 Cl4 N2 -","2","1","","Song, Ki Cheol; Kim, Hyungjun; Lee, Kang Mun; Lee, Yoon Sup; Do, Youngkyu; Lee, Min Hyung","Dual sensing of fluoride ions by the o-carborane-triarylborane dyad.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2351","2354","10.1039/c2dt32605a","","","0.71073","MoKα","","0.1071","0.0804","","","0.238","0.2634","","","","","","1.073","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020954","11.9286","0.0004","13.9649","0.0004","19.8273","0.0006","83.142","0.001","80.976","0.001","67.371","0.001","3004.54","0.16","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H60 Cl6 F9 N6 O9 Rh S3 -","- C46 H60 Cl6 F9 N6 O9 Rh S3 -","- C92 H120 Cl12 F18 N12 O18 Rh2 S6 -","2","1","","Bolaño, Tamara; Gunnoe, T. Brent; Sabat, Michal","Direct coupling of nitriles and aniline to form the triazapentadiene species [upper bond 1 start]Rh(III){NH=C(R)N(Ph)C(R=N[upper bond 1 end]H}.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","347","350","10.1039/c2dt32606j","","","0.71073","MoKα","","0.0716","0.0564","","","0.1769","0.1888","","","","","","1.352","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020955","13.0509","0.0004","16.0965","0.0005","17.8206","0.0006","69.599","0.001","87.83","0.001","72.066","0.001","3328.19","0.19","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C52 H65 Cl6 F9 N7 O9 Rh S3 -","- C52 H65 Cl6 F9 N7 O9 Rh S3 -","- C104 H130 Cl12 F18 N14 O18 Rh2 S6 -","2","1","","Bolaño, Tamara; Gunnoe, T. Brent; Sabat, Michal","Direct coupling of nitriles and aniline to form the triazapentadiene species [upper bond 1 start]Rh(III){NH=C(R)N(Ph)C(R=N[upper bond 1 end]H}.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","347","350","10.1039/c2dt32606j","","","0.71073","MoKα","","0.0957","0.0718","","","0.2009","0.2201","","","","","","1.672","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020956","8.8125","0.0006","14.8052","0.001","30.847","0.002","96.083","0.002","99.426","0.002","90.012","0.002","3947.3","0.5","173","","173","","","","","","","","","6","P -1","-P 1","2","(C18MIm)3(Al2F9)(CH2Cl2)1.754","","","- C67.75 H132.51 Al2 Cl3.51 F9 N6 -","- C67.754 H132.508 Al2 Cl3.508 F9 N6 -","- C135.508 H265.016 Al4 Cl7.016 F18 N12 -","2","1","","Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika","The first crystallographic example of a face-sharing fluoroaluminate anion Al(2)F(9)(3-).","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1965","1968","10.1039/c2dt32624h","","","0.71073","MoKα","","0.136","0.0702","","","0.1752","0.2097","","","","","","1.054","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020957","11.29","0.0004","12.5406","0.0004","14.0595","0.0005","90","","107.116","0.004","90","","1902.43","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H40 Cr2 Dy4 N2 O42 S6 -","- C4 H40 Cr2 Dy4 N2 O42 S6 -","- C8 H80 Cr4 Dy8 N4 O84 S12 -","2","0.5","","Xiang, Hua; Lu, Wen-Guan; Zhang, Wei-Xiong; Jiang, Long","A {Cr2Dy4} compressed octahedron: the first sulfate-based single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","867","870","10.1039/c2dt32651e","","","0.71073","MoKα","","0.0471","0.0314","","","0.0541","0.0608","","","","","","1.065","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020958","10.6462","0.0005","15.7072","0.0007","19.9882","0.0009","90","","95.374","0.001","90","","3327.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 F12 N O2 W -","- C34 H29 F12 N O2 W -","- C136 H116 F48 N4 O8 W4 -","4","1","","O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Unusually stable tungstenacyclobutadienes featuring an ONO trianionic pincer-type ligand","Dalton Transactions","2013","42","10","3326","","10.1039/c2dt32653a","","","0.71073","MoKα","","0.0178","0.0145","","","0.0369","0.0376","","","","","","1.052","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020959","19.6072","0.0011","9.2537","0.0005","18.9077","0.001","90","","112.563","0.001","90","","3168","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 F12 N O2 W -","- C33 H33 F12 N O2 W -","- C132 H132 F48 N4 O8 W4 -","4","1","","O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Unusually stable tungstenacyclobutadienes featuring an ONO trianionic pincer-type ligand","Dalton Transactions","2013","42","10","3326","","10.1039/c2dt32653a","","","0.71073","MoKα","","0.0297","0.0209","","","0.0448","0.0462","","","","","","0.962","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020960","17.6465","0.0014","9.8689","0.0008","19.5331","0.0016","90","","104.391","0.001","90","","3295","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 F12 N O2 W -","- C32 H33 F12 N O2 W -","- C128 H132 F48 N4 O8 W4 -","4","1","","O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Unusually stable tungstenacyclobutadienes featuring an ONO trianionic pincer-type ligand","Dalton Transactions","2013","42","10","3326","","10.1039/c2dt32653a","","","0.71073","MoKα","","0.0276","0.022","","","0.0482","0.0496","","","","","","1.089","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020961","11.4139","0.0018","9.5278","0.0015","28.609","0.005","90","","97.389","0.003","90","","3085.4","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 F12 N O3 W -","- C29 H31 F12 N O3 W -","- C116 H124 F48 N4 O12 W4 -","4","1","","O'Reilly, Matthew E.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Unusually stable tungstenacyclobutadienes featuring an ONO trianionic pincer-type ligand","Dalton Transactions","2013","42","10","3326","","10.1039/c2dt32653a","","","0.71073","MoKα","","0.035","0.0242","","","0.0473","0.0496","","","","","","1.056","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020962","9.7198","0.0004","12.316","0.0006","15.8797","0.0007","73.393","0.004","75.016","0.004","71.092","0.004","1694.24","0.14","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H37 Ge N3 O7 Ru2 Si2 -","- C26 H37 Ge N3 O7 Ru2 Si2 -","- C52 H74 Ge2 N6 O14 Ru4 Si4 -","2","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Expanding the coordination chemistry of donor-stabilized group-14 metalenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1329","1332","10.1039/c2dt32654j","","","1.5418","CuKα","","0.0522","0.0452","","","0.1073","0.1133","","","","","","1.047","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020963","12.1099","0.0001","15.1369","0.0002","17.7003","0.0002","90","","98.614","0.001","90","","3207.98","0.06","134","2","134","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Co2 Ge N3 O6 Si2 -","- C25 H37 Co2 Ge N3 O6 Si2 -","- C100 H148 Co8 Ge4 N12 O24 Si8 -","4","1","","Cabeza, Javier A.; García-Álvarez, Pablo; Polo, Diego","Expanding the coordination chemistry of donor-stabilized group-14 metalenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1329","1332","10.1039/c2dt32654j","","","1.5418","CuKα","","0.0326","0.0278","","","0.0663","0.0693","","","","","","1.032","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020964","11.0192","0.001","17.8227","0.0015","16.3592","0.0015","90","","106.482","0.003","90","","3080.8","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 B F10 N P -","- C34 H31 B F10 N P -","- C136 H124 B4 F40 N4 P4 -","4","1","","Jiang, Chunfang; Stephan, Douglas W.","Hydrophosphination of vinyl-boranes with phosphinoamines","Dalton Transactions","2013","42","10","3318","","10.1039/c2dt32677a","","","0.71073","MoKα","","0.0455","0.0346","","","0.083","0.0891","","","","","","1.023","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020965","9.8983","0.0015","10.3188","0.0014","15.235","0.002","88.992","0.004","87.851","0.005","63.756","0.004","1394.7","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H29 B F10 N P -","- C29 H29 B F10 N P -","- C58 H58 B2 F20 N2 P2 -","2","1","","Jiang, Chunfang; Stephan, Douglas W.","Hydrophosphination of vinyl-boranes with phosphinoamines","Dalton Transactions","2013","42","10","3318","","10.1039/c2dt32677a","","","0.71073","MoKα","","0.049","0.0401","","","0.1176","0.1265","","","","","","1.063","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020966","8.9145","0.0004","19.2534","0.0011","17.0916","0.0009","90","","99.678","0.002","90","","2891.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 B F10 N P -","- C31 H33 B F10 N P -","- C124 H132 B4 F40 N4 P4 -","4","1","","Jiang, Chunfang; Stephan, Douglas W.","Hydrophosphination of vinyl-boranes with phosphinoamines","Dalton Transactions","2013","42","10","3318","","10.1039/c2dt32677a","","","0.71073","MoKα","","0.0561","0.038","","","0.0883","0.0974","","","","","","1.017","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020967","19.5503","0.0016","11.7262","0.0008","33.928","0.003","90","","97.717","0.003","90","","7707.6","1.1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H39 B F10 N P -","- C45 H39 B F10 N P -","- C360 H312 B8 F80 N8 P8 -","8","1","","Jiang, Chunfang; Stephan, Douglas W.","Hydrophosphination of vinyl-boranes with phosphinoamines","Dalton Transactions","2013","42","10","3318","","10.1039/c2dt32677a","","","0.71073","MoKα","","0.1132","0.0536","","","0.1084","0.1345","","","","","","0.941","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020968","9.348","0.005","11.652","0.006","13.167","0.007","110.481","0.007","94.255","0.008","112.6","0.006","1203.7","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H46 Mn2 Mo8 N4 O48 -","- C6 Mn2 Mo8 N4 O48 -","- C6 Mn2 Mo8 N4 O48 -","1","0.5","","Zhang, Dongdi; Zhao, Juan; Zhang, Yanhui; Hu, Xiaojing; Li, Longsheng; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Octamolybdate-supported tricarbonyl metal derivatives: [{H(2)Mo(8)O(30)}{M(CO)(3)}(2)](8-) (M = Mn(I) and Re(I)).","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2696","2699","10.1039/c2dt32678g","","","0.71073","MoKα","","0.0294","0.027","","","0.0736","0.0751","","","","","","1.009","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020969","10.57","0.003","15.425","0.004","15.933","0.004","90","","91.29","0.004","90","","2597.1","1.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H50 Mo8 N4 O50 Re2 -","- C6 Mo8 N4 O50 Re2 -","- C12 Mo16 N8 O100 Re4 -","2","0.5","","Zhang, Dongdi; Zhao, Juan; Zhang, Yanhui; Hu, Xiaojing; Li, Longsheng; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Octamolybdate-supported tricarbonyl metal derivatives: [{H(2)Mo(8)O(30)}{M(CO)(3)}(2)](8-) (M = Mn(I) and Re(I)).","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2696","2699","10.1039/c2dt32678g","","","0.71073","MoKα","","0.0272","0.0252","","","0.0686","0.0696","","","","","","1.041","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020970","9.491","0.002","12.29","0.003","13.967","0.003","71.437","0.003","87.357","0.003","71.161","0.003","1458.8","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H54 Mn2 Na8 O62 W8 -","- C10 H6 Mn2 Na8 O62 W8 -","- C10 H6 Mn2 Na8 O62 W8 -","1","0.5","","Zhang, Dongdi; Zhao, Juan; Zhang, Yanhui; Hu, Xiaojing; Li, Longsheng; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Octamolybdate-supported tricarbonyl metal derivatives: [{H(2)Mo(8)O(30)}{M(CO)(3)}(2)](8-) (M = Mn(I) and Re(I)).","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2696","2699","10.1039/c2dt32678g","","","0.71073","MoKα","","0.0684","0.0653","","","0.1729","0.1764","","","","","","1.031","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020971","11.183","0.0005","30.264","0.0012","12.575","0.0005","90","","95.151","0.001","90","","4238.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H68 N8 Na2 P2 Te2 -","- C28 H65 N8 Na2 P2 Te2 -","- C112 H260 N32 Na8 P8 Te8 -","4","1","","Nordheider, Andreas; Chivers, Tristram; Thirumoorthi, Ramalingam; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Vargas-Baca, Ignacio","A planar dianionic ditelluride and a cyclic tritelluride supported by P2N2 rings","Dalton Transactions","2013","42","10","3291","","10.1039/c2dt32716c","","","0.71073","MoKα","","0.0835","0.065","","","0.1505","0.1787","","","","","","1.194","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7020972","13.76","0.003","14.301","0.003","14.481","0.003","60.533","0.005","69.151","0.005","65.043","0.005","2209.2","0.8","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H136 Li2 N12 P4 Te4 -","- C76 H136 Li2 N12 P4 Te4 -","- C76 H136 Li2 N12 P4 Te4 -","1","0.5","","Nordheider, Andreas; Chivers, Tristram; Thirumoorthi, Ramalingam; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Vargas-Baca, Ignacio","A planar dianionic ditelluride and a cyclic tritelluride supported by P2N2 rings","Dalton Transactions","2013","42","10","3291","","10.1039/c2dt32716c","","","0.71075","MoKα","","","0.0419","","","","0.1163","","","","","","1.036","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020973","33.149","0.0002","14.263","0.0003","11.542","0.0003","90","0.0009","107.354","0.0011","90","0.0012","5208.7","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H36 N4 P2 Te3 -","- C16 H36 N4 P2 Te3 -","- C128 H288 N32 P16 Te24 -","8","1","","Nordheider, Andreas; Chivers, Tristram; Thirumoorthi, Ramalingam; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Vargas-Baca, Ignacio","A planar dianionic ditelluride and a cyclic tritelluride supported by P2N2 rings","Dalton Transactions","2013","42","10","3291","","10.1039/c2dt32716c","","","0.71073","MoKα","","0.0416","0.0358","","","0.0715","0.0742","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020974","13.232","0.004","14.228","0.004","24.627","0.008","90","","104.587","0.012","90","","4487","2","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H74 N8 P4 Te2 -","- C32 H74 N8 P4 Te2 -","- C128 H296 N32 P16 Te8 -","4","0.5","","Nordheider, Andreas; Chivers, Tristram; Thirumoorthi, Ramalingam; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Vargas-Baca, Ignacio","A planar dianionic ditelluride and a cyclic tritelluride supported by P2N2 rings","Dalton Transactions","2013","42","10","3291","","10.1039/c2dt32716c","","","0.71075","MoKα","","","0.0554","","","","0.1179","","","","","","1.066","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020975","21.71","0.004","21.271","0.004","22.414","0.005","90","","106.51","0.03","90","","9924","4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H86 N8 Na4 P4 -","- C32 H58.5 N8 Na4 P4 -","- C256 H468 N64 Na32 P32 -","8","2","","Nordheider, Andreas; Chivers, Tristram; Thirumoorthi, Ramalingam; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Vargas-Baca, Ignacio","A planar dianionic ditelluride and a cyclic tritelluride supported by P2N2 rings","Dalton Transactions","2013","42","10","3291","","10.1039/c2dt32716c","","","0.71073","MoKα","","0.133","0.0991","","","0.2652","0.2919","","","","","","1.036","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7020976","13.421","0.002","33.281","0.006","16.773","0.003","90","","108.518","0.002","90","","7104","2","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H86 B Br2 N4 O12 Tb Zn2 -","- C72 H86 B Br2 N4 O12 Tb Zn2 -","- C288 H344 B4 Br8 N16 O48 Tb4 Zn8 -","4","1","","Yamashita, Kei; Miyazaki, Rie; Kataoka, Yumiko; Nakanishi, Takayuki; Hasegawa, Yasuchika; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi","A luminescent single-molecule magnet: observation of magnetic anisotropy using emission as a probe.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1987","1990","10.1039/c2dt32785f","","","0.71075","MoKα","","0.0833","0.0628","","","0.1436","0.1559","","","","","","1.099","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020977","13.3226","0.0015","33.654","0.004","17.056","0.002","90","","108.384","0.0011","90","","7256.9","1.5","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72 H86 B Ce I2 N4 O12 Zn2 -","- C72 H86 B Ce I2 N4 O12 Zn2 -","- C288 H344 B4 Ce4 I8 N16 O48 Zn8 -","4","1","","Hino, Shiori; Maeda, Moe; Yamashita, Kei; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Nojiri, Hiroyuki; Kofu, Maiko; Yamamuro, Osamu; Kajiwara, Takashi","Linear trinuclear Zn(ii)-Ce(iii)-Zn(ii) complex which behaves as a single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2683","2686","10.1039/c2dt32812g","","","0.71075","MoKα","","0.0698","0.0544","","","0.1376","0.1502","","","","","","1.097","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020978","11.534","0.002","13.521","0.002","12.778","0.002","90","","97.081","0.003","90","","1977.5","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Ag2 Br4 N4 Se2 -","- C36 H38 Ag2 Br4 N4 Se2 -","- C72 H76 Ag4 Br8 N8 Se4 -","2","0.5","","Joshi, Hemant; Sharma, Kamal Nayan; Singh, Ved Vati; Singh, Pradhumn; Singh, Ajai Kumar","Selenium containing imidazolium salt in designing single source precursors for silver bromide and selenide nano-particles.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2366","2370","10.1039/c2dt32818f","","","0.71073","MoKα","","0.0354","0.0271","","","0.0652","0.0683","","","","","","1.052","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020979","20.712","0.003","9.4816","0.0013","8.0453","0.0012","90","","90","","90","","1580","0.4","93","","93","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C25 H13 N -","- C25 H13 N -","- C100 H52 N4 -","4","1","","Yamada, Mihoko; Tashiro, Shohei; Miyake, Ryosuke; Shionoya, Mitsuhiko","A cyclopalladated complex of corannulene with a pyridine pendant and its columnar self-assembly","Dalton Transactions","2013","42","10","3300","","10.1039/c2dt32883f","","","0.71075","MoKα","","","0.0862","","","","0.2365","","","","","","1.134","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020980","20.102","0.003","7.2793","0.0009","64.688","0.008","90","","90","","90","","9466","2","93","","93","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H18 B F4 N3 Pd -","- C29 H18 B F4 N3 Pd -","- C464 H288 B16 F64 N48 Pd16 -","16","2","","Yamada, Mihoko; Tashiro, Shohei; Miyake, Ryosuke; Shionoya, Mitsuhiko","A cyclopalladated complex of corannulene with a pyridine pendant and its columnar self-assembly","Dalton Transactions","2013","42","10","3300","","10.1039/c2dt32883f","","","0.71073","MoKα","","0.1475","0.1025","","","0.1702","0.1846","","","","","","1.228","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020981","12.4363","0.0008","13.777","0.0008","16.4633","0.001","90","","94.533","0.001","90","","2811.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Cl4 N4 Ni2 -","- C54 H72 Cl4 N4 Ni2 -","- C108 H144 Cl8 N8 Ni4 -","2","0.5","","Lee, Chang Hoon; Lutterman, Daniel A.; Nocera, Daniel G.","Photoactivation of metal-halogen bonds in a Ni(ii) NHC complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2355","2357","10.1039/c2dt32885b","","","0.71073","MoKα","","0.0284","0.0242","","","0.0605","0.0631","","","","","","1.017","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020982","34.143","0.004","15.1633","0.0019","12.8525","0.0017","90","","106.72","0.002","90","","6372.7","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H45 Cl2 N3 Ni -","- C34 H45 Cl2 N3 Ni -","- C272 H360 Cl16 N24 Ni8 -","8","1","","Lee, Chang Hoon; Lutterman, Daniel A.; Nocera, Daniel G.","Photoactivation of metal-halogen bonds in a Ni(ii) NHC complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2355","2357","10.1039/c2dt32885b","","","0.71073","MoKα","","0.048","0.0316","","","0.0686","0.0766","","","","","","1.032","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020983","35.2552","0.0011","35.2552","0.0011","11.7244","0.0003","90","","90","","120","","12620.2","0.6","140","1","140","1","","","","","","","","4","R -3 :H","-R 3","148","Compound 1","","","- C32 H26 Li2 O8 -","- C32 H26 Li2 O7.60333 -","- C576 H468 Li36 O136.86 -","18","1","","Redshaw, Carl; Rowe, Oliver; Hughes, David L.; Fuller, Anna-Marie; Ibarra, Ilich A.; Humphrey, Simon M.","New structural motifs in lithium and zinc calix[4]arene chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1983","1986","10.1039/c2dt32986g","","","0.71073","Mo-Kα","","0.0857","0.0566","","","0.1587","0.1702","","","","","","0.99","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020984","10.3639","0.0007","11.7721","0.0005","11.8355","0.0008","87.429","0.004","78.483","0.003","83.793","0.004","1406.22","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Compound 2","","","- C34 H32 Li2 O9 -","- C34 H32 Li2 O9 -","- C68 H64 Li4 O18 -","2","1","","Redshaw, Carl; Rowe, Oliver; Hughes, David L.; Fuller, Anna-Marie; Ibarra, Ilich A.; Humphrey, Simon M.","New structural motifs in lithium and zinc calix[4]arene chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1983","1986","10.1039/c2dt32986g","","","0.71073","MoKα","","0.1406","0.0794","","","0.1669","0.1918","","","","","","1.066","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020985","9.9928","0.0005","17.3371","0.0011","17.7642","0.0009","90","","90","","90","","3077.6","0.3","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 3","","","- C35 H35 N O10 Zn -","- C35 H35 N O10 Zn -","- C140 H140 N4 O40 Zn4 -","4","1","","Redshaw, Carl; Rowe, Oliver; Hughes, David L.; Fuller, Anna-Marie; Ibarra, Ilich A.; Humphrey, Simon M.","New structural motifs in lithium and zinc calix[4]arene chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","1983","1986","10.1039/c2dt32986g","","","0.71073","Mo-Kα","","0.1226","0.0764","","","0.1134","0.1273","","","","","","1.019","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020986","28.355","0.0002","28.355","0.0002","33.188","0.0005","90","","90","","90","","26683.4","0.5","293","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C408 H700 Cd30 N60 O194 -","- C408 H504 Cd30 N48 O126 -","- C816 H1008 Cd60 N96 O252 -","2","0.125","","Gong, Wei-Jie; Liu, Ying-Ying; Yang, Jin; Wu, Hua; Ma, Jian-Fang; Xie, Teng-Feng","An unprecedented octahedral {Cd30} nanocage supported by twelve pendant-armed tetraacetate macrocyclic ligands","Dalton Transactions","2013","42","10","3304","","10.1039/c3dt32801e","","","1.54184","CuKα","","0.1395","0.1157","","","0.2394","0.248","","","","","","1.198","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020987","7.0535","0.0002","10.0931","0.0005","29.7271","0.0016","93.655","0.004","90.387","0.004","110.399","0.004","1978.62","0.16","105","2","105","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N12 Ni2 S8 -","- C31 H26 N12 Ni2 S8 -","- C62 H52 N24 Ni4 S16 -","2","1","","Yu, Shan-Shan; Duan, Hai-Bao; Chen, Xuan-Rong; Tian, Zheng-Fang; Ren, Xiao-Ming","Observation of intramolecular vibrations cooperating with the magnetic phase transition in a nickel-bis-dithiolene compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3827","3834","10.1039/c2dt31519j","","","0.71073","MoKα","","0.0508","0.0362","","","0.0893","0.1024","","","","","","0.751","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7020988","19.08","0.003","7.1663","0.001","31.103","0.004","90","","104.318","0.002","90","","4120.7","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 N12 Ni2 S8 -","- C31 H26 N12 Ni2 S8 -","- C124 H104 N48 Ni8 S32 -","4","0.5","","Yu, Shan-Shan; Duan, Hai-Bao; Chen, Xuan-Rong; Tian, Zheng-Fang; Ren, Xiao-Ming","Observation of intramolecular vibrations cooperating with the magnetic phase transition in a nickel-bis-dithiolene compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3827","3834","10.1039/c2dt31519j","","","0.71073","MoKα","","0.0806","0.0415","","","0.1015","0.1262","","","","","","1.021","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020989","16.521","0.008","8.197","0.004","10.474","0.005","90","","96.026","0.009","90","","1410.6","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br Cl2 N2 Pd S -","- C11 H11 Br Cl2 N2 Pd S -","- C44 H44 Br4 Cl8 N8 Pd4 S4 -","4","1","","Sharma, Kamal Nayan; Joshi, Hemant; Singh, Ved Vati; Singh, Pradhumn; Singh, Ajai Kumar","Palladium(ii) complexes of pyrazolated thio/selenoethers: syntheses, structures, single source precursors of Pd(4)Se and PdSe nano-particles and potential for catalyzing Suzuki-Miyaura coupling.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3908","3918","10.1039/c2dt31975f","","","0.71073","MoKα","","0.0309","0.0274","","","0.0686","0.07","","","","","","1.071","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020990","16.787","0.006","8.256","0.003","10.585","0.004","90","","95.366","0.006","90","","1460.6","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Br Cl2 N2 Pd Se -","- C11 H11 Br Cl2 N2 Pd Se -","- C44 H44 Br4 Cl8 N8 Pd4 Se4 -","4","1","","Sharma, Kamal Nayan; Joshi, Hemant; Singh, Ved Vati; Singh, Pradhumn; Singh, Ajai Kumar","Palladium(ii) complexes of pyrazolated thio/selenoethers: syntheses, structures, single source precursors of Pd(4)Se and PdSe nano-particles and potential for catalyzing Suzuki-Miyaura coupling.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3908","3918","10.1039/c2dt31975f","","","0.71073","MoKα","","0.0333","0.0267","","","0.0619","0.0638","","","","","","1.016","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020991","7.54","0.001","10.626","0.001","13.77","0.002","99.42","0.03","97.76","0.02","104.37","0.02","1036.4","0.3","298","2","298","2","","","","","","","","9","P -1","-P 1","2","","","","- C12 H15 B Br2 Cl F4 N5 Pd S -","- C12 H15 B Br2 Cl F4 N5 Pd S -","- C24 H30 B2 Br4 Cl2 F8 N10 Pd2 S2 -","2","1","","Sharma, Kamal Nayan; Joshi, Hemant; Singh, Ved Vati; Singh, Pradhumn; Singh, Ajai Kumar","Palladium(ii) complexes of pyrazolated thio/selenoethers: syntheses, structures, single source precursors of Pd(4)Se and PdSe nano-particles and potential for catalyzing Suzuki-Miyaura coupling.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3908","3918","10.1039/c2dt31975f","","","0.71073","MoKα","","0.1255","0.0729","","","0.1672","0.1885","","","","","","0.857","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020992","15.142","0.004","11.09","0.003","11.001","0.003","90","","102.924","0.005","90","","1800.5","0.8","298","2","298","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 B Br2 Cl F4 N4 Pd Se -","- C10 H12 B Br2 Cl F4 N4 Pd Se -","- C40 H48 B4 Br8 Cl4 F16 N16 Pd4 Se4 -","4","1","","Sharma, Kamal Nayan; Joshi, Hemant; Singh, Ved Vati; Singh, Pradhumn; Singh, Ajai Kumar","Palladium(ii) complexes of pyrazolated thio/selenoethers: syntheses, structures, single source precursors of Pd(4)Se and PdSe nano-particles and potential for catalyzing Suzuki-Miyaura coupling.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3908","3918","10.1039/c2dt31975f","","","0.71073","MoKα","","0.0422","0.0367","","","0.0977","0.1006","","","","","","1.044","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020993","23.946","0.006","16.623","0.004","20.508","0.005","90","","90","","90","","8163","3","296","2","296","2","","","","","","","crystallized from 1-octanol","5","P c c n","-P 2ab 2ac","56","[Eu(CyMe4-BTBP)2-kappa2-NO3](NO3)2.C8H17OH","bis(CyMe4-BTBP)europium(III) nitrate 1-octanol solvate","","- C72 H94 Eu N19 O10 -","- C72 H92 Eu N19 O10 -","- C288 H368 Eu4 N76 O40 -","4","0.5","","Lundberg, Daniel; Persson, Ingmar; Ekberg, Christian","Crystal structure of [Eu(CyMe(4)-BTBP)(2)κ(2)O,O'-(NO(3))](NO(3))(2)·n-C(8)H(17)OH and its structure in 1-octanol solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3767","3770","10.1039/c2dt32317f","","x-ray","0.71073","MoKα","","0.0656","0.0431","","","0.1265","0.147","","","","","","1.053","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020994","8.8446","0.0002","12.6986","0.0003","27.9148","0.0007","90","","92.109","0.0011","90","","3133.1","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 Mn N8 O16 Ru2 -","- C52 H72 Mn N8 O16 Ru2 -","- C104 H144 Mn2 N16 O32 Ru4 -","2","0.5","","Xiang, Jing; Jia, Li-Hui; Wang, Bing-Wu; Yiu, Shek-Man; Peng, Shie-Ming; Wong, Wai-Yeung; Gao, Song; Lau, Tai-Chu","The synthesis, structures and magnetic properties of polynuclear Ru(III)-3d (3d = Mn(II/III), Ni(II), Cu(II)) compounds based on [Ru(III)(Q)(2)(CN)(2)](-).","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3876","3887","10.1039/c2dt32331a","","","0.71073","MoKα","","0.1355","0.1059","","","0.2858","0.3049","","","","","","1.198","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020995","14.5641","0.0004","10.4098","0.0003","18.0972","0.0005","90","","92.669","0.003","90","","2740.73","0.13","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cl Mn N6 O4 Ru -","- C26 H26 Cl Mn N6 O4 Ru -","- C104 H104 Cl4 Mn4 N24 O16 Ru4 -","4","0.5","","Xiang, Jing; Jia, Li-Hui; Wang, Bing-Wu; Yiu, Shek-Man; Peng, Shie-Ming; Wong, Wai-Yeung; Gao, Song; Lau, Tai-Chu","The synthesis, structures and magnetic properties of polynuclear Ru(III)-3d (3d = Mn(II/III), Ni(II), Cu(II)) compounds based on [Ru(III)(Q)(2)(CN)(2)](-).","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3876","3887","10.1039/c2dt32331a","","","1.5418","CuKα","","0.0378","0.0371","","","0.1015","0.1022","","","","","","1.057","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020996","12.568","0.004","13.049","0.004","13.52","0.003","82.23","0.02","74.24","0.02","63.88","0.03","1915.7","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H40 Mn N6 O6 Ru -","- C42 H40 Mn N6 O6 Ru -","- C84 H80 Mn2 N12 O12 Ru2 -","2","1","","Xiang, Jing; Jia, Li-Hui; Wang, Bing-Wu; Yiu, Shek-Man; Peng, Shie-Ming; Wong, Wai-Yeung; Gao, Song; Lau, Tai-Chu","The synthesis, structures and magnetic properties of polynuclear Ru(III)-3d (3d = Mn(II/III), Ni(II), Cu(II)) compounds based on [Ru(III)(Q)(2)(CN)(2)](-).","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3876","3887","10.1039/c2dt32331a","","","0.71073","MoKα","","0.2324","0.0852","","","0.1831","0.2155","","","","","","0.751","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020997","8.9277","0.0012","20.948","0.003","15.023","0.002","90","","104.175","0.002","90","","2724","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 Cu N12 O8 Ru2 -","- C54 H44 Cu N12 O8 Ru2 -","- C108 H88 Cu2 N24 O16 Ru4 -","2","0.5","","Xiang, Jing; Jia, Li-Hui; Wang, Bing-Wu; Yiu, Shek-Man; Peng, Shie-Ming; Wong, Wai-Yeung; Gao, Song; Lau, Tai-Chu","The synthesis, structures and magnetic properties of polynuclear Ru(III)-3d (3d = Mn(II/III), Ni(II), Cu(II)) compounds based on [Ru(III)(Q)(2)(CN)(2)](-).","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3876","3887","10.1039/c2dt32331a","","","0.71073","MoKα","","0.1046","0.0701","","","0.1868","0.2074","","","","","","1.069","","","","has coordinates","179914","2020-10-21","18:00:00",""
"7020998","8.9374","0.0003","20.4558","0.001","15.3293","0.0007","90","","104.278","0.002","90","","2716","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H60 N12 Ni O8 Ru2 -","- C54 H60 N12 Ni O8 Ru2 -","- C108 H120 N24 Ni2 O16 Ru4 -","2","0.5","","Xiang, Jing; Jia, Li-Hui; Wang, Bing-Wu; Yiu, Shek-Man; Peng, Shie-Ming; Wong, Wai-Yeung; Gao, Song; Lau, Tai-Chu","The synthesis, structures and magnetic properties of polynuclear Ru(III)-3d (3d = Mn(II/III), Ni(II), Cu(II)) compounds based on [Ru(III)(Q)(2)(CN)(2)](-).","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3876","3887","10.1039/c2dt32331a","","","0.71073","MoKα","","0.0825","0.0501","","","0.1333","0.1526","","","","","","1.053","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7020999","11.7692","0.0004","13.5116","0.0004","17.1714","0.0006","95.113","0.002","96.982","0.002","102.153","0.002","2631.04","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H52 N12 Ni O7 Ru2 -","- C51 H52 N12 Ni O7 Ru2 -","- C102 H104 N24 Ni2 O14 Ru4 -","2","1","","Xiang, Jing; Jia, Li-Hui; Wang, Bing-Wu; Yiu, Shek-Man; Peng, Shie-Ming; Wong, Wai-Yeung; Gao, Song; Lau, Tai-Chu","The synthesis, structures and magnetic properties of polynuclear Ru(III)-3d (3d = Mn(II/III), Ni(II), Cu(II)) compounds based on [Ru(III)(Q)(2)(CN)(2)](-).","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3876","3887","10.1039/c2dt32331a","","","0.71073","MoKα","","0.1041","0.0552","","","0.1397","0.1683","","","","","","1.024","","","","has coordinates,has disorder","179914","2020-10-21","18:00:00",""
"7021000","9.5992","0.0002","14.1248","0.0003","10.3387","0.0002","90","","90.272","0.002","90","","1401.78","0.05","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18.4 H32.1 Br4 N4.7 O Pt S -","- C17 H30 Br4 N4 O Pt S -","- C34 H60 Br8 N8 O2 Pt2 S2 -","2","1","","Khlebnikov, Vsevolod; Heckenroth, Marion; Müller-Bunz, Helge; Albrecht, Martin","Platinum(ii) and platinum(iv) complexes stabilized by abnormal/mesoionic C4-bound dicarbenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4197","4207","10.1039/c2dt32423g","","","0.71073","MoKα","","0.0338","0.0331","","","0.0832","0.0838","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021001","9.3908","0.0002","13.8861","0.0002","10.1824","0.0002","90","","90.069","0.002","90","","1327.8","0.04","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C19 H33 Cl4 N5 O Pt S -","- C19 H33 Cl4 N5 O Pt S -","- C38 H66 Cl8 N10 O2 Pt2 S2 -","2","1","","Khlebnikov, Vsevolod; Heckenroth, Marion; Müller-Bunz, Helge; Albrecht, Martin","Platinum(ii) and platinum(iv) complexes stabilized by abnormal/mesoionic C4-bound dicarbenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4197","4207","10.1039/c2dt32423g","","","0.71073","MoKα","","0.027","0.0252","","","0.0593","0.0604","","","","","","1.032","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021002","14.1521","0.0003","17.9528","0.0004","22.5774","0.0006","90","","90","","90","","5736.2","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17.36 H28.73 Br2 Cl4.73 N4 Pt -","- C16.763 H27.526 Br2 Cl3.526 N4 Pt -","- C134.104 H220.208 Br16 Cl28.208 N32 Pt8 -","8","1","","Khlebnikov, Vsevolod; Heckenroth, Marion; Müller-Bunz, Helge; Albrecht, Martin","Platinum(ii) and platinum(iv) complexes stabilized by abnormal/mesoionic C4-bound dicarbenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4197","4207","10.1039/c2dt32423g","","","0.71073","MoKα","","0.0395","0.0325","","","0.0767","0.0797","","","","","","1.115","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021003","11.7668","0.0002","21.4564","0.0003","10.0029","0.0002","90","","103.872","0.002","90","","2451.81","0.08","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 B Cl F4 N4 O Pt S -","- C17 H30 B Cl F4 N4 O Pt S -","- C68 H120 B4 Cl4 F16 N16 O4 Pt4 S4 -","4","1","","Khlebnikov, Vsevolod; Heckenroth, Marion; Müller-Bunz, Helge; Albrecht, Martin","Platinum(ii) and platinum(iv) complexes stabilized by abnormal/mesoionic C4-bound dicarbenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4197","4207","10.1039/c2dt32423g","","","0.71073","MoKα","","0.0308","0.0237","","","0.0523","0.0555","","","","","","1.091","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021004","7.1071","0.0009","14.0822","0.0012","28.851","0.004","90","","95.917","0.016","90","","2872.1","0.6","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 Cl2 N4 O1.5 Pt S1.5 -","- C15 H24 Cl2 N4 Pt -","- C60 H96 Cl8 N16 Pt4 -","4","1","","Khlebnikov, Vsevolod; Heckenroth, Marion; Müller-Bunz, Helge; Albrecht, Martin","Platinum(ii) and platinum(iv) complexes stabilized by abnormal/mesoionic C4-bound dicarbenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4197","4207","10.1039/c2dt32423g","","","0.71073","MoKα","","0.0844","0.0351","","","0.0596","0.0647","","","","","","0.568","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021005","11.229","0.0008","15.8825","0.0012","11.5964","0.0008","90","","90","","90","","2068.2","0.3","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C15 H26 Cl2 N4 O Pt S -","- C15 H26 Cl2 N4 O Pt S -","- C60 H104 Cl8 N16 O4 Pt4 S4 -","4","0.5","","Khlebnikov, Vsevolod; Heckenroth, Marion; Müller-Bunz, Helge; Albrecht, Martin","Platinum(ii) and platinum(iv) complexes stabilized by abnormal/mesoionic C4-bound dicarbenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4197","4207","10.1039/c2dt32423g","","","0.71073","MoKα","","0.0399","0.0326","","","0.0706","0.0725","","","","","","0.989","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021006","8.8616","0.0005","11.3859","0.0006","9.53","0.0005","90","","98.222","0.001","90","","951.67","0.09","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","0.5","","Rivilla, Ivan; Sameera, W. M. C.; Alvarez, Eleuterio; Díaz-Requejo, M Mar; Maseras, Feliu; Pérez, Pedro J","Catalytic cross-coupling of diazo compounds with coinage metal-based catalysts: an experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4132","4138","10.1039/c2dt32439c","","","0.71073","MoKα","","0.0337","0.0309","","","0.0826","0.0848","","","","","","1.073","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021007","12.6839","0.0014","15.6668","0.0017","16.3267","0.0017","101.88","0.0017","111.442","0.0016","108.31","0.0016","2671.5","0.5","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C70.85 H156.4 Cl4 Cu4 Ge6 N12 Si6 -","- C70.85 H156.4 Cl4 Cu4 Ge6 N12 Si6 -","- C70.85 H156.4 Cl4 Cu4 Ge6 N12 Si6 -","1","0.5","","West, Joseph K.; Fondong, Gregory L.; Noll, Bruce C.; Stahl, Lothar","Heavier carbene analogues and their derivatives as κ-El, κ(2)-El,N, and κ(2)-N,N' ligands: different reactivity patterns for acyclic and cyclic diamidogermylenes and -stannylenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3835","3842","10.1039/c2dt32443a","","","0.71073","MoKα","","0.0454","0.0371","","","0.106","0.1122","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021008","15.051","0.002","21.782","0.003","25.431","0.003","108.904","0.002","98.938","0.002","91.934","0.002","7760.2","1.7","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C44 H104 Cl4 Cu4 N8 O Si4 Sn4 -","- C44 H104 Cl4 Cu4 N8 O Si4 Sn4 -","- C176 H416 Cl16 Cu16 N32 O4 Si16 Sn16 -","4","2","","West, Joseph K.; Fondong, Gregory L.; Noll, Bruce C.; Stahl, Lothar","Heavier carbene analogues and their derivatives as κ-El, κ(2)-El,N, and κ(2)-N,N' ligands: different reactivity patterns for acyclic and cyclic diamidogermylenes and -stannylenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3835","3842","10.1039/c2dt32443a","","","0.71073","MoKα","","0.0483","0.039","","","0.1014","0.1054","","","","","","1.045","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021009","8.4225","0.0003","9.0007","0.0003","12.1148","0.0004","96.783","0.002","93.075","0.002","105.18","0.001","876.72","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H48 Cl4 Cr2 N4 Si2 Sn2 -","- C20 H48 Cl4 Cr2 N4 Si2 Sn2 -","- C20 H48 Cl4 Cr2 N4 Si2 Sn2 -","1","0.5","","West, Joseph K.; Fondong, Gregory L.; Noll, Bruce C.; Stahl, Lothar","Heavier carbene analogues and their derivatives as κ-El, κ(2)-El,N, and κ(2)-N,N' ligands: different reactivity patterns for acyclic and cyclic diamidogermylenes and -stannylenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3835","3842","10.1039/c2dt32443a","","","0.71073","MoKα","","0.0154","0.0145","","","0.0377","0.0382","","","","","","1.068","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021010","31.26","0.003","7.5532","0.0007","17.572","0.0017","90","","118.777","0.001","90","","3636.6","0.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Fe2 N2 O4 S2 -","- C17 H14 Fe2 N2 O4 S2 -","- C136 H112 Fe16 N16 O32 S16 -","8","1","","Roy, Souvik; Groy, Thomas L.; Jones, Anne K.","Biomimetic model for [FeFe]-hydrogenase: asymmetrically disubstituted diiron complex with a redox-active 2,2'-bipyridyl ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3843","3853","10.1039/c2dt32457a","","","0.71073","MoKα","","0.0237","0.0214","","","0.0528","0.0542","","","","","","1.034","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021011","8.8244","0.0001","6.2699","0.0001","26.3613","0.0005","90","","95.8516","0.0007","90","","1450.92","0.04","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Anilinium Tetrathiafulvalene-2-Carboxylate","","","- C13 H11 N O2 S4 -","- C13 H11 N O2 S4 -","- C52 H44 N4 O8 S16 -","4","1","","Kobayashi, Yuka; Sumi, Satoshi; Terauchi, Takeshi; Hashizume, Daisuke","Ionic semiconductor: DC and AC conductivity of anilinium tetrathiafulvalene-2-carboxylate.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3821","3826","10.1039/c2dt32464d","","","0.71073","MoKα","","0.0373","0.0302","","","0.078","0.0819","","","","","","1.048","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021012","8.9395","0.0002","6.3387","0.0001","26.9154","0.0006","90","","96.838","0.001","90","","1514.31","0.05","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Anilinium tetrathiafulvalene-2-carboxylate","Anilinium tetrathiafulvalene-2-carboxylate","","- C13 H11 N O2 S4 -","- C13 H11 N O2 S4 -","- C52 H44 N4 O8 S16 -","4","1","","Kobayashi, Yuka; Sumi, Satoshi; Terauchi, Takeshi; Hashizume, Daisuke","Ionic semiconductor: DC and AC conductivity of anilinium tetrathiafulvalene-2-carboxylate.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3821","3826","10.1039/c2dt32464d","powder diffraction","","1.3038","","","0.05219","","","","","","0.05248","0.05539","2.0215","","","","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021013","16.1331","0.0015","9.571","0.0008","22.699","0.002","90","","128.29","0.002","90","","2751","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Al2 N2 O2 -","- C25 H40 Al2 N2 O2 -","- C100 H160 Al8 N8 O8 -","4","1","","Yu, Xiao-Feng; Wang, Zhong-Xia","Dinuclear aluminum complexes supported by amino- or imino-phenolate ligands: synthesis, structures, and ring-opening polymerization catalysis of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3860","3868","10.1039/c2dt32520a","","","0.71073","MoKα","","0.1572","0.0673","","","0.1509","0.1751","","","","","","1.029","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021014","9.1161","0.0008","13.692","0.0011","15.7135","0.0013","104.683","0.002","91.796","0.001","103.913","0.002","1832.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.5 H44 Al2 N2 O2 -","- C38.5 H44 Al2 N2 O2 -","- C77 H88 Al4 N4 O4 -","2","1","","Yu, Xiao-Feng; Wang, Zhong-Xia","Dinuclear aluminum complexes supported by amino- or imino-phenolate ligands: synthesis, structures, and ring-opening polymerization catalysis of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3860","3868","10.1039/c2dt32520a","","","0.71073","MoKα","","0.17","0.0597","","","0.0911","0.1049","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021015","7.4699","0.0003","34.0964","0.0014","6.7664","0.0003","90","","92.041","0.001","90","","1722.29","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 O5 Re -","- C19 H11 O5 Re -","- C76 H44 O20 Re4 -","4","1","","Sazonov, Petr K.; Ptushkin, Dmitry S.; Khrustalev, Victor N.; Kolotyrkina, Natal'ya G.; Beletskaya, Irina P.","Radical-chain oxidative addition mechanism for the reaction of an [Re(CO)(5)](-) anion with α-bromostilbene.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4223","4232","10.1039/c2dt32552g","","","0.71073","MoKα","","0.0452","0.0437","","","0.0907","0.0914","","","","","","1.001","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021016","11.025","0.002","14.161","0.003","22.647","0.006","90","","115.02","0.02","90","","3204","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 N4 O6 Zn -","- C35 H34 N4 O6 Zn -","- C140 H136 N16 O24 Zn4 -","4","1","","Zhang, Li; Xu, Guan-Cheng; Yang, Yun; Guo, Ji-Xi; Jia, Dian-Zeng","Syntheses, structure diversity and properties of complexes with 4-acyl pyrazolone salicylidene hydrazide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4248","4257","10.1039/c2dt32641h","","","0.71073","MoKα","","0.0673","0.0353","","","0.0874","0.1096","","","","","","1.14","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021017","10.912","0.002","14.496","0.003","20.704","0.004","90","","95.02","0.03","90","","3262.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H68 Cd2 N8 O12 -","- C70 H68 Cd2 N8 O12 -","- C140 H136 Cd4 N16 O24 -","2","0.5","","Zhang, Li; Xu, Guan-Cheng; Yang, Yun; Guo, Ji-Xi; Jia, Dian-Zeng","Syntheses, structure diversity and properties of complexes with 4-acyl pyrazolone salicylidene hydrazide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4248","4257","10.1039/c2dt32641h","","","0.71073","MoKα","","0.0398","0.0288","","","0.0775","0.088","","","","","","1.123","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021018","32.466","0.003","32.466","0.003","13.2855","0.0018","90","","90","","120","","12127","2","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C186 H144 Cu6 N24 O18 -","- C186 H144 Cu6 N24 O18 -","- C558 H432 Cu18 N72 O54 -","3","0.166667","","Zhang, Li; Xu, Guan-Cheng; Yang, Yun; Guo, Ji-Xi; Jia, Dian-Zeng","Syntheses, structure diversity and properties of complexes with 4-acyl pyrazolone salicylidene hydrazide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4248","4257","10.1039/c2dt32641h","","","0.71073","MoKα","","0.0854","0.0583","","","0.1421","0.1563","","","","","","0.929","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021019","24.3593","0.0018","10.8644","0.0007","21.1608","0.0014","90","","113.532","0.002","90","","5134.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 N4 O5 Zn -","- C26 H24 N4 O4 Zn -","- C208 H192 N32 O32 Zn8 -","8","1","","Zhang, Li; Xu, Guan-Cheng; Yang, Yun; Guo, Ji-Xi; Jia, Dian-Zeng","Syntheses, structure diversity and properties of complexes with 4-acyl pyrazolone salicylidene hydrazide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4248","4257","10.1039/c2dt32641h","","","0.71073","MoKα","","0.0515","0.0461","","","0.1177","0.1218","","","","","","1.074","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021020","33.93","0.007","12.3","0.003","24.969","0.005","90","","100.61","0.03","90","","10242","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Cu2 N8 O6 -","- C60 H44 Cu2 N8 O6 -","- C480 H352 Cu16 N64 O48 -","8","1","","Zhang, Li; Xu, Guan-Cheng; Yang, Yun; Guo, Ji-Xi; Jia, Dian-Zeng","Syntheses, structure diversity and properties of complexes with 4-acyl pyrazolone salicylidene hydrazide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4248","4257","10.1039/c2dt32641h","","","0.71073","MoKα","","0.1039","0.0489","","","0.1042","0.1325","","","","","","1.046","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021021","17.978","0.01","5.116","0.003","22.301","0.013","90","","115.142","0.006","90","","1856.8","1.9","120","2","120.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cl Cu2 N6 O4 -","- C16 H16 Cl Cu2 N6 O4 -","- C64 H64 Cl4 Cu8 N24 O16 -","4","1","","Maekawa, Masahiko; Miyazaki, Takeshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural diversity among copper(i) ethylene adducts of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4258","4266","10.1039/c2dt32649c","","","0.7107","MoKα","","0.0827","0.0514","","","0.1043","0.1135","","","","","","1.116","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021022","6.845","0.004","8.3","0.005","12.99","0.009","85.772","0.017","87.807","0.017","80.496","0.014","725.6","0.8","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cl2 Cu2 N6 O10 -","- C22 H30 Cl2 Cu2 N6 O10 -","- C22 H30 Cl2 Cu2 N6 O10 -","1","0.5","","Maekawa, Masahiko; Miyazaki, Takeshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural diversity among copper(i) ethylene adducts of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4258","4266","10.1039/c2dt32649c","","","0.7107","MoKα","","0.0455","0.0395","","","0.0773","0.0794","","","","","","1.118","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021023","14.892","0.009","18.693","0.011","11.665","0.008","90","","125.973","0.005","90","","2628","3","120.1","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 Cl2 Cu2 N4 O9 -","- C21 H26 Cl2 Cu2 N4 O9 -","- C84 H104 Cl8 Cu8 N16 O36 -","4","0.5","","Maekawa, Masahiko; Miyazaki, Takeshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural diversity among copper(i) ethylene adducts of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4258","4266","10.1039/c2dt32649c","","","0.7107","MoKα","","0.0394","0.0337","","","0.0704","0.0726","","","","","","1.124","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021024","23.53","0.016","8.579","0.005","12.689","0.009","90","","117.066","0.007","90","","2281","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cl2 Cu2 N4 O8 -","- C18 H20 Cl2 Cu2 N4 O8 -","- C72 H80 Cl8 Cu8 N16 O32 -","4","0.5","","Maekawa, Masahiko; Miyazaki, Takeshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural diversity among copper(i) ethylene adducts of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4258","4266","10.1039/c2dt32649c","","","0.7107","MoKα","","0.0993","0.0679","","","0.1166","0.1265","","","","","","1.133","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021025","22.759","0.007","17.873","0.005","19.267","0.006","90","","122.153","0.003","90","","6635","3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H48 Cl4 Cu4 N24 O18 -","- C54 H48 Cl4 Cu4 N24 O18 -","- C216 H192 Cl16 Cu16 N96 O72 -","4","0.5","","Maekawa, Masahiko; Miyazaki, Takeshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural diversity among copper(i) ethylene adducts of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4258","4266","10.1039/c2dt32649c","","","0.7107","MoKα","","0.0801","0.0625","","","0.1357","0.1436","","","","","","1.094","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021026","13.6357","0.0004","19.6104","0.0005","14","0.0003","90","","101.667","0.007","90","","3666.28","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 Cl3 Cu3 N9 O13 -","- C27 H33 Cl3 Cu3 N9 O13.04 -","- C108 H132 Cl12 Cu12 N36 O52.16 -","4","1","","Maekawa, Masahiko; Miyazaki, Takeshi; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, Takayoshi; Munakata, Megumu; Kitagawa, Susumu","Structural diversity among copper(i) ethylene adducts of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4258","4266","10.1039/c2dt32649c","","","0.7107","MoKα","","0.0929","0.0506","","","0.094","0.1081","","","","","","1.03","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021027","12.2213","0.0005","12.5273","0.0005","11.96","0.0004","90","","119.087","0.001","90","","1600.14","0.11","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O2 S -","- C19 H14 N2 O2 S -","- C76 H56 N8 O8 S4 -","4","1","","Melen, Rebecca L.; Eisler, Dana J.; Hewitt, Rachel A.; Rawson, Jeremy M.","Synthesis and structural studies on thioimides, R(2)C[double bond, length as m-dash]NSR and sulfur diimides, R(2)C[double bond, length as m-dash]NSN[double bond, length as m-dash]CR(2).","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3888","3895","10.1039/c2dt32878j","","","0.71073","MoKα","","0.0688","0.0465","","","0.1085","0.1201","","","","","","1.023","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021028","14.9965","0.0004","7.2996","0.0002","16.0914","0.0004","90","","106.51","0.002","90","","1688.87","0.08","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O4 S -","- C19 H13 N3 O4 S -","- C76 H52 N12 O16 S4 -","4","1","","Melen, Rebecca L.; Eisler, Dana J.; Hewitt, Rachel A.; Rawson, Jeremy M.","Synthesis and structural studies on thioimides, R(2)C[double bond, length as m-dash]NSR and sulfur diimides, R(2)C[double bond, length as m-dash]NSN[double bond, length as m-dash]CR(2).","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3888","3895","10.1039/c2dt32878j","","","0.71073","MoKα","","0.0841","0.0453","","","0.0956","0.1096","","","","","","1.017","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021029","8.8032","0.0002","11.8517","0.0002","16.3949","0.0004","74.4123","0.0009","76.19","0.001","71.295","0.001","1538.63","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 N4 O2 S -","- C17 H12 N4 O2 S -","- C68 H48 N16 O8 S4 -","4","2","","Melen, Rebecca L.; Eisler, Dana J.; Hewitt, Rachel A.; Rawson, Jeremy M.","Synthesis and structural studies on thioimides, R(2)C[double bond, length as m-dash]NSR and sulfur diimides, R(2)C[double bond, length as m-dash]NSN[double bond, length as m-dash]CR(2).","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3888","3895","10.1039/c2dt32878j","","","0.71073","MoKα","","0.0789","0.0501","","","0.1098","0.1291","","","","","","0.93","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021030","7.3115","0.0002","9.4716","0.0003","12.3682","0.0004","101.868","0.001","98.333","0.002","112.163","0.002","752.52","0.04","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H12 N2 O2 S -","- C19 H12 N2 O2 S -","- C38 H24 N4 O4 S2 -","2","1","","Melen, Rebecca L.; Eisler, Dana J.; Hewitt, Rachel A.; Rawson, Jeremy M.","Synthesis and structural studies on thioimides, R(2)C[double bond, length as m-dash]NSR and sulfur diimides, R(2)C[double bond, length as m-dash]NSN[double bond, length as m-dash]CR(2).","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3888","3895","10.1039/c2dt32878j","","","0.71073","MoKα","","0.0773","0.0452","","","0.0967","0.1096","","","","","","1.028","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021031","13.1797","0.0004","7.9049","0.0002","15.573","0.0005","90","","93.866","0.001","90","","1618.77","0.08","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 N3 O4 S -","- C19 H11 N3 O4 S -","- C76 H44 N12 O16 S4 -","4","1","","Melen, Rebecca L.; Eisler, Dana J.; Hewitt, Rachel A.; Rawson, Jeremy M.","Synthesis and structural studies on thioimides, R(2)C[double bond, length as m-dash]NSR and sulfur diimides, R(2)C[double bond, length as m-dash]NSN[double bond, length as m-dash]CR(2).","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3888","3895","10.1039/c2dt32878j","","","0.71073","MoKα","","0.0645","0.0405","","","0.0971","0.105","","","","","","1.086","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021032","26.921","0.005","7.7572","0.0016","19.322","0.004","90","","90","","90","","4035","1.4","180","2","180","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26.5 H17 Cl N2 S -","- C26.5 H17 Cl N2 S -","- C212 H136 Cl8 N16 S8 -","8","1","","Melen, Rebecca L.; Eisler, Dana J.; Hewitt, Rachel A.; Rawson, Jeremy M.","Synthesis and structural studies on thioimides, R(2)C[double bond, length as m-dash]NSR and sulfur diimides, R(2)C[double bond, length as m-dash]NSN[double bond, length as m-dash]CR(2).","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3888","3895","10.1039/c2dt32878j","","","0.71073","MoKα","","0.0623","0.0437","","","0.101","0.111","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021033","15.3232","0.0003","17.515","0.0005","37.5226","0.0009","90","","99.901","0.001","90","","9920.5","0.4","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","TLC245 (CH2Cl2/hexane)","","","- C54 H24 Au2 Br2 F16 P2 -","- C54 H24 Au2 Br2 F16 P2 -","- C432 H192 Au16 Br16 F128 P16 -","8","2","","Bojan, R. Vilma; Czerwieniec, Rafal; Laguna, Antonio; Lasanta, Tania; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Yersin, Harmut","Luminescent gold-silver complexes derived from neutral bis(perfluoroaryl)diphosphine gold(i) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4267","4277","10.1039/c2dt32973e","","x-ray","0.71073","MoKα","","0.0937","0.0637","","","0.1177","0.1259","","","","","","1.197","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021034","13.0125","0.0006","14.8392","0.0005","17.5999","0.0007","91.369","0.002","110.783","0.002","92.023","0.002","3172.9","0.2","100","2","100","2","","","","","","","synthesis as described","8","P -1","-P 1","2","TLC-212 (CH2Cl2/hexano)","","","- C56 H29 Ag2 Au2 Br2 F22 O5 P2 -","- C56 H29 Ag2 Au2 Br2 F22 O5 P2 -","- C112 H58 Ag4 Au4 Br4 F44 O10 P4 -","2","1","","Bojan, R. Vilma; Czerwieniec, Rafal; Laguna, Antonio; Lasanta, Tania; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Yersin, Harmut","Luminescent gold-silver complexes derived from neutral bis(perfluoroaryl)diphosphine gold(i) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4267","4277","10.1039/c2dt32973e","","x-ray","0.71073","MoKα","","0.0822","0.0576","","","0.1416","0.1558","","","","","","1.043","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021035","12.1335","0.0003","15.0322","0.0006","18.1077","0.0007","102.664","0.001","91.933","0.002","107.338","0.002","3058.51","0.19","120","2","120","2","","","","","","","synthesis as described","9","P -1","-P 1","2","TLC219 (CH2Cl2/hexano)","","","- C58.5 H25 Ag2 Au2 Br2 Cl F22 O4 P2 -","- C58.5 H25 Ag2 Au2 Br2 Cl F22 O4 P2 -","- C117 H50 Ag4 Au4 Br4 Cl2 F44 O8 P4 -","2","1","","Bojan, R. Vilma; Czerwieniec, Rafal; Laguna, Antonio; Lasanta, Tania; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M. Elena; Yersin, Harmut","Luminescent gold-silver complexes derived from neutral bis(perfluoroaryl)diphosphine gold(i) precursors.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4267","4277","10.1039/c2dt32973e","","x-ray","0.71073","MoKα","","0.0977","0.0675","","","0.1952","0.2387","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021036","22.5011","0.0013","22.5011","0.0013","18.1552","0.0013","90","","90","","120","","7960.5","0.9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C32 H34 Cl4 N2 O2 Ti -","- C32 H34 Cl4 N2 O2 Ti -","- C288 H306 Cl36 N18 O18 Ti9 -","9","0.5","","Suttil, James A.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Ethylene polymerisation and oligomerisation with arene-substituted phenoxy-imine complexes of titanium: investigation of multi-mechanism catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4185","4196","10.1039/c3dt32183e","","","0.7","Synchrotron","","0.1054","0.0787","","","0.2099","0.229","","","","","","1.092","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021037","7.182","0.0012","25.188","0.0016","14.674","0.004","90","","90.75","0.003","90","","2654.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl2 N2 O2 Ti -","- C30 H28 Cl2 N2 O2 Ti -","- C120 H112 Cl8 N8 O8 Ti4 -","4","1","","Suttil, James A.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Ethylene polymerisation and oligomerisation with arene-substituted phenoxy-imine complexes of titanium: investigation of multi-mechanism catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4185","4196","10.1039/c3dt32183e","","","0.71067","Synchrotron","","0.0735","0.0696","","","0.1695","0.1733","","","","","","1.049","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021038","28.069","0.003","8.661","0.0012","20.823","0.0011","90","","90","","90","","5062.2","0.9","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C24 H32 Cl3 N O2 Ti -","- C24 H32 Cl3 N O2 Ti -","- C192 H256 Cl24 N8 O16 Ti8 -","8","2","","Suttil, James A.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Ethylene polymerisation and oligomerisation with arene-substituted phenoxy-imine complexes of titanium: investigation of multi-mechanism catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4185","4196","10.1039/c3dt32183e","","","0.71085","Synchrotron","","0.0993","0.0957","","","0.2496","0.2533","","","","","","1.079","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021039","25.105","0.003","10.628","0.0012","9.748","0.0015","90","","90","","90","","2600.9","0.6","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H34 Cl3 N O2 Ti -","- C25 H34 Cl3 N O2 Ti -","- C100 H136 Cl12 N4 O8 Ti4 -","4","1","","Suttil, James A.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Ethylene polymerisation and oligomerisation with arene-substituted phenoxy-imine complexes of titanium: investigation of multi-mechanism catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4185","4196","10.1039/c3dt32183e","","","0.71073","Synchrotron","","0.0405","0.0372","","","0.0942","0.0961","","","","","","1.07","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021040","20.373","0.003","16.421","0.0015","13.958","0.0016","90","","90","","90","","4669.6","1","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H30 Cl3 N O2 Ti -","- C23 H30 Cl3 N O2 Ti -","- C184 H240 Cl24 N8 O16 Ti8 -","8","1","","Suttil, James A.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Ethylene polymerisation and oligomerisation with arene-substituted phenoxy-imine complexes of titanium: investigation of multi-mechanism catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4185","4196","10.1039/c3dt32183e","","","0.70845","Synchrotron","","0.0836","0.0786","","","0.172","0.1741","","","","","","1.227","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021041","14.14","0.001","7.616","0.001","31.998","0.0019","90","","100.824","0.002","90","","3384.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 Cl2 N2 O2 Ti -","- C38 H44 Cl2 N2 O2 Ti -","- C152 H176 Cl8 N8 O8 Ti4 -","4","1","","Suttil, James A.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Ethylene polymerisation and oligomerisation with arene-substituted phenoxy-imine complexes of titanium: investigation of multi-mechanism catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4185","4196","10.1039/c3dt32183e","","","0.71067","Synchrotron","","0.0615","0.0507","","","0.1153","0.1203","","","","","","1.08","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021042","9.903","0.0009","22.683","0.002","10.136","0.001","90","","90.781","0.002","90","","2276.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl2 O4 Ti -","- C22 H26 Cl2 O4 Ti -","- C88 H104 Cl8 O16 Ti4 -","4","1","","Suttil, James A.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Ethylene polymerisation and oligomerisation with arene-substituted phenoxy-imine complexes of titanium: investigation of multi-mechanism catalytic behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4185","4196","10.1039/c3dt32183e","","","0.7107","Synchrotron","","0.0352","0.034","","","0.0904","0.0913","","","","","","1.042","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021043","17.941","0.0006","17.941","0.0006","57.79","0.005","90","","90","","120","","16109.3","1.6","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C72 H138 Mn3 N2 Nd4 O33 -","- C72 H132 Mn3 N2 Nd4 O33 -","- C432 H792 Mn18 N12 Nd24 O198 -","6","0.166667","","Liu, Jinying; Ma, Chengbing; Chen, Hui; Hu, Mingqiang; Wen, Huimin; Cui, Honghua; Chen, Changneng","The first heterometallic examples of 3d-4f heptanuclear [Mn(II)(3)Ln(III)(4)] complexes with planar disc-like cores and diverse magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3787","3790","10.1039/c3dt32985b","","","0.71073","MoKα","","0.0497","0.0453","","","0.1365","0.1429","","","","","","1.068","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021044","15.7941","0.001","18.9012","0.0011","28.6202","0.0018","90","","90","","90","","8543.9","0.9","150","2","150","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C45 H37 F6 N5 Ni P3 -","- C45 H37 F6 N5 Ni P3 -","- C360 H296 F48 N40 Ni8 P24 -","8","0.5","","Cariou, Renan; Graham, Todd W.; Stephan, Douglas W.","Synthesis and reactivity of nickel-hydride amino-bis-phosphinimine complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4237","4239","10.1039/c3dt33021d","","","0.71073","MoKα","","0.1086","0.0637","","","0.1655","0.1979","","","","","","1.045","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021045","11.2878","0.0009","12.0048","0.0009","16.3353","0.0011","99.854","0.002","100.657","0.002","106.872","0.002","2021.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H43 F6 N4 Ni P3 -","- C42 H43 F6 N4 Ni P3 -","- C84 H86 F12 N8 Ni2 P6 -","2","1","","Cariou, Renan; Graham, Todd W.; Stephan, Douglas W.","Synthesis and reactivity of nickel-hydride amino-bis-phosphinimine complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4237","4239","10.1039/c3dt33021d","","","0.71073","MoKα","","0.0866","0.0495","","","0.1016","0.1161","","","","","","1","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021046","8.8477","0.0003","13.5114","0.0005","18.6418","0.0007","87.912","0.01","81.897","0.01","72.388","0.01","2102.82","0.18","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C48.25 H39.75 Cl3 N P2 Ru -","- C48.25 H39.75 Cl3 N P2 Ru -","- C96.5 H79.5 Cl6 N2 P4 Ru2 -","2","1","","Bock, Sören; Eaves, Samantha G.; Parthey, Matthias; Kaupp, Martin; Le Guennic, Boris; Halet, Jean-François; Yufit, Dmitry S.; Howard, Judith A. K.; Low, Paul J.","The preparation, characterisation and electronic structures of 2,4-pentadiynylnitrile (cyanobutadiynyl) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4240","4243","10.1039/c3dt33052d","","","0.71073","MoKα","","0.07","0.0473","","","0.1151","0.1293","","","","","","1.03","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021047","10.2903","0.0002","22.7951","0.0005","14.8498","0.0003","90","","108.363","0.01","90","","3305.9","0.2","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 N P2 Ru -","- C41 H39 N P2 Ru -","- C164 H156 N4 P8 Ru4 -","4","1","","Bock, Sören; Eaves, Samantha G.; Parthey, Matthias; Kaupp, Martin; Le Guennic, Boris; Halet, Jean-François; Yufit, Dmitry S.; Howard, Judith A. K.; Low, Paul J.","The preparation, characterisation and electronic structures of 2,4-pentadiynylnitrile (cyanobutadiynyl) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4240","4243","10.1039/c3dt33052d","","","0.71073","MoKα","","0.0545","0.0421","","","0.098","0.1075","","","","","","1.082","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021048","10.148","0.002","10.774","0.003","16.677","0.006","81.18","0.02","79.32","0.02","68.398","0.017","1658.7","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H33 Cl3 F6 P2 Ru S -","- C30 H33 Cl3 F6 P2 Ru S -","- C60 H66 Cl6 F12 P4 Ru2 S2 -","2","1","","Ludwig, Gerd; Kaluđerović, Goran N; Rüffer, Tobias; Bette, Martin; Korb, Marcus; Block, Michael; Paschke, Reinhard; Lang, Heinrich; Steinborn, Dirk","Cationic arene ruthenium(ii) complexes with chelating P-functionalized alkyl phenyl sulfide and sulfoxide ligands as potent anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3771","3774","10.1039/c3dt33064h","","","0.71073","MoKα","","0.0502","0.0395","","","0.0967","0.0997","","","","","","0.961","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021049","11.0143","0.0002","13.0922","0.0002","23.2592","0.0004","90","","90","","90","","3354.01","0.1","116","","116","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 Cl F6 O P2 Ru S -","- C33 H39 Cl F6 O P2 Ru S -","- C132 H156 Cl4 F24 O4 P8 Ru4 S4 -","4","1","","Ludwig, Gerd; Kaluđerović, Goran N; Rüffer, Tobias; Bette, Martin; Korb, Marcus; Block, Michael; Paschke, Reinhard; Lang, Heinrich; Steinborn, Dirk","Cationic arene ruthenium(ii) complexes with chelating P-functionalized alkyl phenyl sulfide and sulfoxide ligands as potent anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3771","3774","10.1039/c3dt33064h","","","1.54184","CuKα","","0.04","0.0377","","","0.0898","0.0905","","","","","","1.013","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021050","10.2594","0.0005","11.9436","0.0007","12.96","0.0008","83.578","0.005","80.047","0.005","88.023","0.005","1554.14","0.15","116","","116","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H35 Cl F6 P2 Ru S -","- C31 H35 Cl F6 P2 Ru S -","- C62 H70 Cl2 F12 P4 Ru2 S2 -","2","1","","Ludwig, Gerd; Kaluđerović, Goran N; Rüffer, Tobias; Bette, Martin; Korb, Marcus; Block, Michael; Paschke, Reinhard; Lang, Heinrich; Steinborn, Dirk","Cationic arene ruthenium(ii) complexes with chelating P-functionalized alkyl phenyl sulfide and sulfoxide ligands as potent anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3771","3774","10.1039/c3dt33064h","","","1.54184","CuKα","","0.0481","0.0427","","","0.1039","0.1059","","","","","","1.026","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021051","11.0122","0.0004","10.8492","0.0003","27.1047","0.0009","90","","99.695","0.004","90","","3192.05","0.18","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C30.5 H34 Cl2 F6 O P2 Ru S -","- C30.5 H34 Cl2 F6 O P2 Ru S -","- C122 H136 Cl8 F24 O4 P8 Ru4 S4 -","4","1","","Ludwig, Gerd; Kaluđerović, Goran N; Rüffer, Tobias; Bette, Martin; Korb, Marcus; Block, Michael; Paschke, Reinhard; Lang, Heinrich; Steinborn, Dirk","Cationic arene ruthenium(ii) complexes with chelating P-functionalized alkyl phenyl sulfide and sulfoxide ligands as potent anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3771","3774","10.1039/c3dt33064h","","","0.71073","MoKα","","0.0371","0.0302","","","0.0732","0.0766","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021052","10.0603","0.0002","12.0758","0.0003","13.1404","0.0003","83.783","0.002","80.719","0.002","87.902","0.002","1565.92","0.06","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H35 Cl F6 O P2 Ru S -","- C31 H35 Cl F6 O P2 Ru S -","- C62 H70 Cl2 F12 O2 P4 Ru2 S2 -","2","1","","Ludwig, Gerd; Kaluđerović, Goran N; Rüffer, Tobias; Bette, Martin; Korb, Marcus; Block, Michael; Paschke, Reinhard; Lang, Heinrich; Steinborn, Dirk","Cationic arene ruthenium(ii) complexes with chelating P-functionalized alkyl phenyl sulfide and sulfoxide ligands as potent anticancer agents.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3771","3774","10.1039/c3dt33064h","","","0.71073","MoKα","","0.0232","0.0207","","","0.0491","0.0501","","","","","","1.034","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021053","9.7323","0.0005","37.4221","0.0019","12.4794","0.0005","90","","90.151","0.002","90","","4545","0.4","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H65 Cl2 N2 P Ru -","- C50 H65 Cl2 N2 P Ru -","- C200 H260 Cl8 N8 P4 Ru4 -","4","1","","Borguet, Yannick; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Assessing the ligand properties of 1,3-dimesitylbenzimidazol-2-ylidene in ruthenium-catalyzed olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7287","7296","10.1039/c2dt31520c","","x-ray","0.7107","MoKα","","0.1197","0.0569","","","0.0914","0.1122","","","","","","1.013","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021054","13.077","0.003","11.325","0.003","19.269","0.004","90","","99.374","0.003","90","","2815.6","1.1","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 Cl N2 Rh -","- C33 H38 Cl N2 Rh -","- C132 H152 Cl4 N8 Rh4 -","4","1","","Borguet, Yannick; Zaragoza, Guillermo; Demonceau, Albert; Delaude, Lionel","Assessing the ligand properties of 1,3-dimesitylbenzimidazol-2-ylidene in ruthenium-catalyzed olefin metathesis.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7287","7296","10.1039/c2dt31520c","","x-ray","0.7107","MoKα","","0.0492","0.0345","","","0.0756","0.0822","","","","","","1.053","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021055","16.8186","0.0011","18.58","0.0011","17.7923","0.0013","90","","90","","90","","5559.9","0.6","100","2","100","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C37 H24 F2 Ir N3 -","- C37 H24 F2 Ir N3 -","- C296 H192 F16 Ir8 N24 -","8","","","Lepeltier, Marc; Dumur, Frédéric; Marrot, Jérôme; Contal, Emmanuel; Bertin, Denis; Gigmes, Didier; Mayer, Cédric R","Unprecedented combination of regioselective hydrodefluorination and ligand exchange reaction during the syntheses of tris-cyclometalated iridium(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4479","4486","10.1039/c2dt32071a","","","0.71073","MoKα","","0.0413","0.0305","","","0.0692","0.076","","","","","","1.039","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021056","34.292","0.018","9.563","0.005","11.407","0.006","90","","90","","90","","3741","3","110","2","110","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H27 Cu N3 O8 -","- C15 H27 Cu N3 O8 -","- C120 H216 Cu8 N24 O64 -","8","1","","Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6119","6130","10.1039/c2dt32191b","","","0.71073","MoKα","","0.092","0.0748","","","0.1688","0.1842","","","","","","1.307","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021057","37.308","0.008","8.055","0.0016","25.933","0.005","90","","111.42","0.03","90","","7255","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cu2 F2 N6 O10 -","- C36 H32 Cu2 F2 N6 O10 -","- C288 H256 Cu16 F16 N48 O80 -","8","1","","Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6119","6130","10.1039/c2dt32191b","","x-ray","0.738","","","0.0564","0.0432","","","0.1133","0.1209","","","","","","1.023","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021058","13.418","0.004","7.707","0.002","19.083","0.005","90","","106.648","0.013","90","","1890.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl Cu N4 O6 -","- C17 H19 Cl Cu N4 O6 -","- C68 H76 Cl4 Cu4 N16 O24 -","4","1","","Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6119","6130","10.1039/c2dt32191b","","","0.71073","MoKα","","0.0896","0.0722","","","0.1945","0.2107","","","","","","1.037","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021059","7.27","0.005","8.502","0.005","14.78","0.005","90.628","0.005","92.54","0.005","97.828","0.005","904","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Cu2 N10 O17 -","- C32 H38 Cu2 N10 O17 -","- C32 H38 Cu2 N10 O17 -","1","0.5","","Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6119","6130","10.1039/c2dt32191b","","x-ray","0.738","","","0.0349","0.0347","","","0.1104","0.1106","","","","","","1.103","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021060","15.401","0.003","14.48","0.003","8.112","0.0016","90","","90","","90","","1809","0.6","100","2","100","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C14 H17 Cu2 N5 O9 -","- C14 H17 Cu2 N5 O9 -","- C56 H68 Cu8 N20 O36 -","4","0.5","","Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6119","6130","10.1039/c2dt32191b","","","0.738","synchrotron","","0.0466","0.0463","","","0.129","0.1298","","","","","","1.042","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021061","17.6777","0.0011","10.0875","0.0006","20.9883","0.0013","90","","110.719","0.002","90","","3500.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H35 Cu2 N5 O12 -","- C28 H27 Cu2 N5 O12 -","- C112 H108 Cu8 N20 O48 -","4","0.5","","Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6119","6130","10.1039/c2dt32191b","","","1.54178","CuKα","","0.049","0.0471","","","0.1387","0.1408","","","","","","1.07","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021062","6.7944","0.0011","7.8048","0.0012","14.257","0.002","90.174","0.008","92.347","0.008","110.213","0.007","708.76","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H17 Cu N5 O7 -","- C10 H17 Cu N5 O7 -","- C20 H34 Cu2 N10 O14 -","2","1","","Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6119","6130","10.1039/c2dt32191b","","","1.54178","CuKα","","0.0491","0.0428","","","0.1131","0.118","","","","","","1.07","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021063","6.959","0.0014","13.536","0.003","14.25","0.003","93.62","0.03","102.4","0.03","95.27","0.03","1300.7","0.5","100.15","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H34 Cu2 N6 O15 -","- C16 H24 Cu2 N6 O15 -","- C32 H48 Cu4 N12 O30 -","2","1","","Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6119","6130","10.1039/c2dt32191b","","","0.738","synchrotron","","0.0723","0.0635","","","0.17","0.1771","","","","","","1.052","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021064","8.7865","0.0018","21.951","0.005","9.175","0.0019","90","","107.828","0.003","90","","1684.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cu N5 O4 -","- C17 H17 Cu N5 O4 -","- C68 H68 Cu4 N20 O16 -","4","1","","Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6119","6130","10.1039/c2dt32191b","","","0.71073","MoKα","","0.0622","0.0499","","","0.1262","0.1342","","","","","","1.051","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021065","8.8187","0.0003","24.144","0.001","8.9808","0.0003","90","","110.342","0.002","90","","1792.93","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Cu N5 O4 -","- C18 H19 Cu N5 O4 -","- C72 H76 Cu4 N20 O16 -","4","1","","Domínguez-Martín, Alicia; Choquesillo-Lazarte, Duane; Dobado, Jose A.; Vidal, Isaac; Lezama, Luis; González-Pérez, Josefa María; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","From 7-azaindole to adenine: molecular recognition aspects on mixed-ligand Cu(ii) complexes with deaza-adenine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6119","6130","10.1039/c2dt32191b","","","0.71073","MoKα","","0.0711","0.0501","","","0.0906","0.0979","","","","","","1.181","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021066","9.457","0.004","26.104","0.014","12.077","0.006","90","","103.449","0.015","90","","2900","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H35 N5 O2 -","- C34 H35 N5 O2 -","- C136 H140 N20 O8 -","4","1","","Leite, Andreia; Silva, Ana M. G.; Cunha-Silva, Luís; de Castro, Baltazar; Gameiro, Paula; Rangel, Maria","Discrimination of fluorescence light-up effects induced by pH and metal ion chelation on a spirocyclic derivative of rhodamine B.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6110","6118","10.1039/c2dt32198j","","","0.71073","MoKα","","0.1278","0.0683","","","0.1616","0.1932","","","","","","1.044","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021067","17.319","0.013","15.007","0.013","21.514","0.017","90","","90","","90","","5592","8","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H41 Cu N5 O12 -","- C22 H41 Cu N5 O12 -","- C176 H328 Cu8 N40 O96 -","8","1","","Comba, Peter; Emmerling, Franziska; Jakob, Maik; Kraus, Werner; Kubeil, Manja; Morgen, Michael; Pietzsch, Jens; Stephan, Holger","Copper(ii) chemistry of the functionalized macrocycle cyclam tetrapropionic acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6142","6148","10.1039/c2dt32356g","","","0.71073","MoKα","","0.2678","0.0635","","","0.0732","0.0937","","","","","","0.671","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021068","7.833","0.01","9.223","0.012","11.953","0.016","106.96","0.014","105.082","0.013","100.538","0.014","765.6","1.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H50 N4 O13 -","- C22 H50 N4 O13 -","- C22 H50 N4 O13 -","1","0.5","","Comba, Peter; Emmerling, Franziska; Jakob, Maik; Kraus, Werner; Kubeil, Manja; Morgen, Michael; Pietzsch, Jens; Stephan, Holger","Copper(ii) chemistry of the functionalized macrocycle cyclam tetrapropionic acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6142","6148","10.1039/c2dt32356g","","","0.71073","MoKα","","0.4343","0.0849","","","0.1808","0.2809","","","","","","0.712","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021069","8.6397","0.0003","9.7922","0.0004","18.6551","0.0009","100.664","0.003","99.99","0.003","100.033","0.002","1492.37","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H36 Cl2 N6 O16 -","- C22 H34 Cl2 N6 O16 -","- C44 H68 Cl4 N12 O32 -","2","1","","Esteves, Catarina V.; Lima, Luís M P; Mateus, Pedro; Delgado, Rita; Brandão, Paula; Félix, Vítor","Cyclen derivatives with two trans-methylnitrophenolic pendant arms: a structural study of their copper(ii) and zinc(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6149","6160","10.1039/c2dt32363j","","","0.71073","MoKα","","0.0702","0.0505","","","0.1532","0.1864","","","","","","1.106","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021070","16.7755","0.0005","16.7755","0.0005","17.8638","0.0007","90","","90","","90","","5027.2","0.3","150","2","150","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C24 H35 N6 O7.5 -","- C24 H32 N6 O7.5 -","- C192 H256 N48 O60 -","8","1","","Esteves, Catarina V.; Lima, Luís M P; Mateus, Pedro; Delgado, Rita; Brandão, Paula; Félix, Vítor","Cyclen derivatives with two trans-methylnitrophenolic pendant arms: a structural study of their copper(ii) and zinc(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6149","6160","10.1039/c2dt32363j","","","0.71073","MoKα","","0.0724","0.0622","","","0.1732","0.1835","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021071","21.9871","0.0007","16.3897","0.0003","16.9181","0.0005","90","","119.432","0.001","90","","5309.8","0.3","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H63 Cl Cu2 N12 O19 -","- C44 H63 Cl Cu2 N12 O19 -","- C176 H252 Cl4 Cu8 N48 O76 -","4","1","","Esteves, Catarina V.; Lima, Luís M P; Mateus, Pedro; Delgado, Rita; Brandão, Paula; Félix, Vítor","Cyclen derivatives with two trans-methylnitrophenolic pendant arms: a structural study of their copper(ii) and zinc(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6149","6160","10.1039/c2dt32363j","","","0.71073","MoKα","","0.0934","0.069","","","0.1544","0.1946","","","","","","1.155","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021072","23.2324","0.001","10.1166","0.0005","12.6511","0.0006","90","","122.37","0.002","90","","2511.4","0.2","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H32 Cu N6 O7 -","- C24 H30 Cu N6 O7 -","- C96 H120 Cu4 N24 O28 -","4","1","","Esteves, Catarina V.; Lima, Luís M P; Mateus, Pedro; Delgado, Rita; Brandão, Paula; Félix, Vítor","Cyclen derivatives with two trans-methylnitrophenolic pendant arms: a structural study of their copper(ii) and zinc(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6149","6160","10.1039/c2dt32363j","","","0.71073","MoKα","","0.0664","0.055","","","0.154","0.168","","","","","","1.162","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021073","16.261","0.005","17.726","0.005","6.0562","0.0017","90","","100.721","0.008","90","","1715.2","0.9","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N3 Na2 O6 S -","- C15 H13 N3 Na2 O6 S -","- C60 H52 N12 Na8 O24 S4 -","4","1","","Chen, Hong-Xia; Zhou, Feng; Ma, Yong; Xu, Xiao-Ping; Ge, Jian-Feng; Zhang, Yong; Xu, Qing-Feng; Lu, Jian-Mei","Preparation of coordination polymers with 8-hydroxyquinoline azo benzensulfonic acid as a planar multidentate ligand and the study of their photochemical and photo-stability properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4831","4839","10.1039/c2dt32381h","","","0.71075","MoKα","","0.1362","0.0892","","","0.1382","0.1569","","","","","","1.073","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021074","13.686","0.002","12.346","0.002","16.492","0.003","90","","98.346","0.005","90","","2757.1","0.8","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N3 O7 S4 Zn -","- C21 H27 N3 O7 S4 Zn -","- C84 H108 N12 O28 S16 Zn4 -","4","1","","Chen, Hong-Xia; Zhou, Feng; Ma, Yong; Xu, Xiao-Ping; Ge, Jian-Feng; Zhang, Yong; Xu, Qing-Feng; Lu, Jian-Mei","Preparation of coordination polymers with 8-hydroxyquinoline azo benzensulfonic acid as a planar multidentate ligand and the study of their photochemical and photo-stability properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4831","4839","10.1039/c2dt32381h","","","0.71075","MoKα","","0.1076","0.0797","","","0.1801","0.1956","","","","","","1.101","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021075","11.2413","0.0017","18.498","0.003","11.1404","0.0016","90","","99.012","0.004","90","","2288","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Mn N3 O6 S2 -","- C20 H23 Mn N3 O6 S2 -","- C80 H92 Mn4 N12 O24 S8 -","4","1","","Chen, Hong-Xia; Zhou, Feng; Ma, Yong; Xu, Xiao-Ping; Ge, Jian-Feng; Zhang, Yong; Xu, Qing-Feng; Lu, Jian-Mei","Preparation of coordination polymers with 8-hydroxyquinoline azo benzensulfonic acid as a planar multidentate ligand and the study of their photochemical and photo-stability properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4831","4839","10.1039/c2dt32381h","","","0.7107","MoKα","","0.0848","0.0664","","","0.1499","0.1591","","","","","","1.12","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021076","9.449","0.003","12.019","0.004","13.797","0.004","104.264","0.005","99.355","0.003","106.49","0.006","1409.8","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H31 N3 O7 Pb S2 -","- C23 H15 N3 O7 Pb S2 -","- C46 H30 N6 O14 Pb2 S4 -","2","1","","Chen, Hong-Xia; Zhou, Feng; Ma, Yong; Xu, Xiao-Ping; Ge, Jian-Feng; Zhang, Yong; Xu, Qing-Feng; Lu, Jian-Mei","Preparation of coordination polymers with 8-hydroxyquinoline azo benzensulfonic acid as a planar multidentate ligand and the study of their photochemical and photo-stability properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4831","4839","10.1039/c2dt32381h","","","0.7107","MoKα","","0.0713","0.0534","","","0.1191","0.1275","","","","","","0.997","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021077","7.5738","0.0005","13.7497","0.0007","20.2518","0.0017","99.783","0.006","96.824","0.006","105.468","0.006","1972.9","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H38 Cd2 N6 O14 S4 -","- C34 H38 Cd2 N6 O14 S4 -","- C68 H76 Cd4 N12 O28 S8 -","2","1","","Chen, Hong-Xia; Zhou, Feng; Ma, Yong; Xu, Xiao-Ping; Ge, Jian-Feng; Zhang, Yong; Xu, Qing-Feng; Lu, Jian-Mei","Preparation of coordination polymers with 8-hydroxyquinoline azo benzensulfonic acid as a planar multidentate ligand and the study of their photochemical and photo-stability properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4831","4839","10.1039/c2dt32381h","","","0.7107","","","0.0549","0.0425","","","0.0987","0.103","","","","","","0.999","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021078","38.4762","0.0007","38.4762","0.0007","11.353","0.0003","90","","90","","90","","16807.2","0.6","200","2","200","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C18 H97 Mo12 N2 O54.5 S12 -","- C18 H32 Mo12 N2 O54.5 S12 -","- C144 H256 Mo96 N16 O436 S96 -","8","1","","Hijazi, Akram; Kemmegne-Mbouguen, Justin Claude; Floquet, Sébastien; Marrot, Jérôme; Fize, Jennifer; Artero, Vincent; David, Olivier; Magnier, Emmanuel; Pégot, Bruce; Cadot, Emmanuel","Tuning the electrocatalytic hydrogen evolution reaction promoted by [Mo2O2S2]-based molybdenum cycles in aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4848","4858","10.1039/c2dt32447d","","","0.71073","MoKα","","0.051","0.0491","","","0.1201","0.1259","","","","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021079","26.463","0.004","19.491","0.003","13.3714","0.0019","90","","109.049","0.006","90","","6519.2","1.7","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C18 H149 F6 Mo16 N2 O89.5 S16 -","- C18 H26 F6 Mo16 N2 O89.5 S16 -","- C36 H52 F12 Mo32 N4 O179 S32 -","2","0.25","","Hijazi, Akram; Kemmegne-Mbouguen, Justin Claude; Floquet, Sébastien; Marrot, Jérôme; Fize, Jennifer; Artero, Vincent; David, Olivier; Magnier, Emmanuel; Pégot, Bruce; Cadot, Emmanuel","Tuning the electrocatalytic hydrogen evolution reaction promoted by [Mo2O2S2]-based molybdenum cycles in aqueous medium.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4848","4858","10.1039/c2dt32447d","","","0.71073","MoKα","","0.0506","0.0382","","","0.1262","0.146","","","","","","1.113","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021080","10.517","0.004","13.401","0.005","18.699","0.007","90","","90.737","0.005","90","","2635.2","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 N O2 S -","- C31 H31 N O2 S -","- C124 H124 N4 O8 S4 -","4","1","","Wang, Huanhuan; Luo, Yong; Hou, Xiufeng; Wu, Jie","Generation of 6H-benzo[f]cyclopenta[d][1,2]thiazepine 5,5-dioxides via a palladium-catalyzed reaction of 2-(2-alkynyl)benzenesulfonamide.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4410","4415","10.1039/c2dt32452k","","","0.71073","MoKα","","0.0706","0.0482","","","0.1377","0.1521","","","","","","0.92","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021081","9.7923","0.0002","15.4117","0.0003","13.5711","0.0003","90","","97.422","0.002","90","","2030.94","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(1,3-Diisopropylbenzimidazol-2-ylidene) chloro(mu$4!-1,5- cyclooctadiene)iridium$I!","(1,3-Diisopropylbenzimidazol-2-ylidene) chloro(μ^4^-1,5-cyclooctadiene)iridium^I^","","- C21 H30 Cl Ir N2 -","- C21 H30 Cl Ir N2 -","- C84 H120 Cl4 Ir4 N8 -","4","1","","Gülcemal, Süleyman; Gökçe, Aytaç Gürhan; Cetinkaya, Bekir","Iridium(i) N-heterocyclic carbene complexes of benzimidazol-2-ylidene: effect of electron donating groups on the catalytic transfer hydrogenation reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7305","7311","10.1039/c2dt32482b","","x-ray","0.71073","MoKα","","0.0409","0.0285","","","0.0537","0.058","","","","","","1.033","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021082","17.1618","0.0016","14.1773","0.0007","12.8587","0.0011","90","","133.312","0.016","90","","2276.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","(1,3-Diisopropyl-(5,6-dimethyl)benzimidazol-2-ylidene) chloro(mu$4!-1,5-cyclooctadiene)iridium$I!","(1,3-Diisopropyl-(5,6-dimethyl)benzimidazol-2-ylidene) chloro(μ^4^-1,5-cyclooctadiene)iridium^I^","","- C23 H34 Cl Ir N2 -","- C23 H34 Cl Ir N2 -","- C92 H136 Cl4 Ir4 N8 -","4","0.5","","Gülcemal, Süleyman; Gökçe, Aytaç Gürhan; Cetinkaya, Bekir","Iridium(i) N-heterocyclic carbene complexes of benzimidazol-2-ylidene: effect of electron donating groups on the catalytic transfer hydrogenation reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7305","7311","10.1039/c2dt32482b","","x-ray","0.71073","MoKα","","0.0428","0.0368","","","0.0888","0.0933","","","","","","1.043","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021083","17.7242","0.0012","17.7242","0.0012","12.6228","0.0016","90","","90","","90","","3965.4","0.6","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C34 H36 Cl4 F32 Mn12 O52 -","- C32 H16 F32 Mn12 O52 -","- C64 H32 F64 Mn24 O104 -","2","0.25","","Hoshino, Norihisa; Shiga, Takuya; Oshio, Hiroki; Akutagawa, Tomoyuki","Single molecule magnets with m-fluorobenzoate and difluoromethylacetate as polar ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4377","4385","10.1039/c2dt32498a","","","0.71073","MoKα","","0.0331","0.0324","","","0.0872","0.0877","","","","","","1.06","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021084","17.651","0.003","22.259","0.004","22.553","0.004","95.463","0.002","106.341","0.002","108.985","0.002","7868","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C133 H96 Cl14 F18 Mn12 O52 -","- C126 H66 F18 Mn12 O52 -","- C252 H132 F36 Mn24 O104 -","2","1","","Hoshino, Norihisa; Shiga, Takuya; Oshio, Hiroki; Akutagawa, Tomoyuki","Single molecule magnets with m-fluorobenzoate and difluoromethylacetate as polar ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4377","4385","10.1039/c2dt32498a","","","0.71073","MoKα","","0.0781","0.0576","","","0.1686","0.1816","","","","","","1.052","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021085","12.8645","0.0003","6.0509","0.0001","15.852","0.0004","90","","96.708","0.002","90","","1225.5","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 O4 S2 -","- C26 H30 O4 S2 -","- C52 H60 O8 S4 -","2","0.5","","Keceli, Ezgi; Hemgesberg, Maximilian; Bay, Sarah; Wilhelm, Christian; Sun, Yu; Ernst, Stefan; Müller, Thomas J J; Thiel, Werner R.","Efficient conversion of arylene precursors into photoluminescent phosphonates for surface modification of metal oxides.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6344","6352","10.1039/c2dt32553e","","","1.54184","CuKα","","0.0309","0.0263","","","0.0732","0.0745","","","","","","1.059","","","","has coordinates,has disorder","179915","2020-10-21","18:00:00",""
"7021086","8.5601","0.0005","11.8606","0.0009","12.1527","0.0006","110.052","0.006","90.591","0.005","108.776","0.006","1087.22","0.14","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O4 S2 -","- C24 H26 O4 S2 -","- C48 H52 O8 S4 -","2","1","","Keceli, Ezgi; Hemgesberg, Maximilian; Bay, Sarah; Wilhelm, Christian; Sun, Yu; Ernst, Stefan; Müller, Thomas J J; Thiel, Werner R.","Efficient conversion of arylene precursors into photoluminescent phosphonates for surface modification of metal oxides.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6344","6352","10.1039/c2dt32553e","","","1.54184","CuKα","","0.0416","0.0362","","","0.1044","0.1073","","","","","","1.069","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021087","10.0663","0.0003","12.0196","0.0003","13.9142","0.0005","90","","93.849","0.001","90","","1679.72","0.09","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H30 Al B2 Li N2 O -","- C8 H30 Al B2 Li N2 O -","- C32 H120 Al4 B8 Li4 N8 O4 -","4","1","","Less, Robert J.; Simmonds, Hayley R.; Dane, Sarah B. J.; Wright, Dominic S.","Stoichiometric and catalytic reactions of LiAlH4 with Me2NHBH3.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6337","6343","10.1039/c2dt32569a","","","0.71073","MoKα","","0.078","0.0534","","","0.173","0.1881","","","","","","1.106","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021088","6.5108","0.0002","8.7748","0.0002","25.5084","0.0006","90","","93.212","0.001","90","","1455.03","0.07","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 Al3 N3 -","- C6 H24 Al3 N3 -","- C24 H96 Al12 N12 -","4","1","","Less, Robert J.; Simmonds, Hayley R.; Dane, Sarah B. J.; Wright, Dominic S.","Stoichiometric and catalytic reactions of LiAlH4 with Me2NHBH3.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6337","6343","10.1039/c2dt32569a","","","0.71073","MoKα","","0.0527","0.0294","","","0.0797","0.082","","","","","","0.892","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021089","23.9585","0.0008","17.9749","0.0004","12.0272","0.0003","90","","90","","90","","5179.5","0.2","180","2","180","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C2 H12 B2 Li N -","- C2 H12 B2 Li N -","- C64 H384 B64 Li32 N32 -","32","4","","Less, Robert J.; Simmonds, Hayley R.; Dane, Sarah B. J.; Wright, Dominic S.","Stoichiometric and catalytic reactions of LiAlH4 with Me2NHBH3.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6337","6343","10.1039/c2dt32569a","","","0.71073","MoKα","","0.1246","0.0619","","","0.1806","0.1973","","","","","","0.935","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021090","8.5625","0.0001","10.6064","0.0001","11.8189","0.0002","112.827","0.001","91.391","0.001","105.322","0.001","944.38","0.02","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 Co4 N10 O18 -","- C26 H40 Co4 N10 O18 -","- C26 H40 Co4 N10 O18 -","1","0.5","","Hosseinian, S R; Tangoulis, V; Menelaou, M; Raptopoulou, C P; Psycharis, V; Dendrinou-Samara, C","Defective dicubanes of Co(II)/Co(III) complexes with triethanolamine and N-donors.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5355","5366","10.1039/c2dt32616g","","","1.54178","CuKα","","0.1004","0.0777","","","0.1792","0.1945","","","","","","1.055","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021091","12.0397","0.0002","17.0443","0.0003","13.8828","0.0002","90","","90.6","0.001","90","","2848.71","0.08","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H60 Co4 N14 O20 -","- C52 H60 Co4 N14 O20 -","- C104 H120 Co8 N28 O40 -","2","0.5","","Hosseinian, S R; Tangoulis, V; Menelaou, M; Raptopoulou, C P; Psycharis, V; Dendrinou-Samara, C","Defective dicubanes of Co(II)/Co(III) complexes with triethanolamine and N-donors.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5355","5366","10.1039/c2dt32616g","","","1.54178","CuKα","","0.1105","0.0736","","","0.1857","0.2201","","","","","","1.081","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021092","11.3408","0.0002","26.0914","0.0004","13.6498","0.0002","90","","116.305","0.001","90","","3620.7","0.1","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H74 Co4 N16 O22 -","- C66 H66 Co4 N16 O22 -","- C132 H132 Co8 N32 O44 -","2","0.5","","Hosseinian, S R; Tangoulis, V; Menelaou, M; Raptopoulou, C P; Psycharis, V; Dendrinou-Samara, C","Defective dicubanes of Co(II)/Co(III) complexes with triethanolamine and N-donors.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5355","5366","10.1039/c2dt32616g","","","1.54178","CuKα","","0.0514","0.047","","","0.1296","0.1332","","","","","","1.052","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021093","16.425","0.0005","16.425","0.0005","58.768","0.003","90","","90","","120","","13730.4","0.9","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","iron and chromium etyl alkoxide","bis(m4-2-(oxymethyl)-2-ethylpropane-1,3-diolato)-hexakis(dipivaloylmethanato)-chromium(III)-tri-iron(III) dimethoxyethane solvate","","- C78 H136 Cr Fe3 O18 -","- C77.98 H135.9 Cr Fe3 O18 -","- C467.88 H815.4 Cr6 Fe18 O108 -","6","0.166667","","Totaro, Pasquale; Westrup, Kátia Cristina M; Boulon, Marie-Emmanuelle; Nunes, Giovana G.; Back, Davi F.; Barison, Andersson; Ciattini, Samuele; Mannini, Matteo; Sorace, Lorenzo; Soares, Jaísa F; Cornia, Andrea; Sessoli, Roberta","A new approach to the synthesis of heteronuclear propeller-like single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4416","4426","10.1039/c2dt32618c","","","0.71073","MoKα","","0.1411","0.066","","","0.1704","0.2245","","","","","","1.02","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021094","19.6204","0.0007","22.0622","0.0007","24.7198","0.0009","90","","107.964","0.002","90","","10178.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","iron and chromium phenyl alkoxide","bis(m4-2-(oxymethyl)-2-phenylpropane-1,3-diolato)-hexakis(dipivaloylmethanato)-chromium(III)-tri-iron(III) dimethoxyethane solvate","","- C90 H146 Cr Fe3 O20 -","- C86 H136 Cr Fe3 O18 -","- C344 H544 Cr4 Fe12 O72 -","4","0.5","","Totaro, Pasquale; Westrup, Kátia Cristina M; Boulon, Marie-Emmanuelle; Nunes, Giovana G.; Back, Davi F.; Barison, Andersson; Ciattini, Samuele; Mannini, Matteo; Sorace, Lorenzo; Soares, Jaísa F; Cornia, Andrea; Sessoli, Roberta","A new approach to the synthesis of heteronuclear propeller-like single molecule magnets.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4416","4426","10.1039/c2dt32618c","","","0.71073","MoKα","","0.1047","0.0665","","","0.1958","0.2188","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021095","7.0932","0.0014","8.615","0.0017","8.1921","0.0016","90","","112.18","0.03","90","","463.56","0.19","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C2 H8 N2 O7 V2 Zn2 -","- C2 H8 N2 O7 V2 Zn2 -","- C4 H16 N4 O14 V4 Zn4 -","2","1","","Zhou, Jian; Liu, Xing; Chen, Rong; Hu, Feilong; Zou, Huahong; Wei, Meixiao","A 3-D chiral organic-inorganic hybrid zinc vanadate assembled from helical units.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5603","5606","10.1039/c2dt32670a","","","0.71073","MoKα","","0.0175","0.0173","","","0.0401","0.0401","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021096","30.7627","0.0005","30.7627","0.0005","17.9693","0.0003","90","","90","","120","","14726.9","0.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H25 Ho N4 O9 -","- C38 H25 Ho N4 O9 -","- C684 H450 Ho18 N72 O162 -","18","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","1.54184","CuKα","","0.0323","0.0299","","","0.0869","0.0887","","","","","","1.069","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021097","12.825","0.009","13.672","0.01","14.227","0.01","66.182","0.006","66.8","0.006","77.064","0.006","2091","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Dy2 N3 O19 -","- C39 H35 Dy2 N3 O19 -","- C78 H70 Dy4 N6 O38 -","2","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","0.71073","MoKα","","0.0465","0.0357","","","0.0939","0.099","","","","","","1.064","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021098","12.7551","0.0018","13.617","0.002","14.137","0.002","66.28","0.001","67.14","0.001","77.149","0.001","2065","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Ho2 N3 O19 -","- C39 H35 Ho2 N3 O19 -","- C78 H70 Ho4 N6 O38 -","2","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","0.71073","MoKα","","0.0338","0.0274","","","0.0686","0.071","","","","","","1.039","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021099","12.788","0.002","13.67","0.002","14.211","0.002","66.169","0.001","66.947","0.001","77.019","0.001","2084.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 N3 O19 Tb2 -","- C39 H35 N3 O19 Tb2 -","- C78 H70 N6 O38 Tb4 -","2","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","0.71073","MoKα","","0.0372","0.0305","","","0.0766","0.079","","","","","","1.051","","","","has coordinates","179915","2020-10-21","18:00:00",""
"7021100","8.371","0.007","13.459","0.011","24.53","0.02","75.911","0.008","86.628","0.008","79.871","0.008","2638","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H41 N7 O14 Y2 -","- C63 H41 N7 O14 Y2 -","- C126 H82 N14 O28 Y4 -","2","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","0.71073","MoKα","","0.1291","0.0549","","","0.0966","0.1178","","","","","","1.002","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021101","12.725","0.019","13.57","0.02","14.12","0.02","66.224","0.014","67.182","0.015","77.113","0.014","2050","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 N3 O19 Y2 -","- C39 H35 N3 O19 Y2 -","- C78 H70 N6 O38 Y4 -","2","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","0.71073","MoKα","","0.1161","0.0625","","","0.1407","0.1583","","","","","","1.036","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021102","12.385","0.004","10.429","0.003","17.436","0.005","90","","93.704","0.003","90","","2247.4","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 Lu N4 O7 -","- C25 H15 Lu N4 O7 -","- C100 H60 Lu4 N16 O28 -","4","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","0.71073","MoKα","","0.0409","0.031","","","0.0616","0.0648","","","","","","1.038","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021103","12.366","0.008","10.426","0.007","17.438","0.012","90","","93.717","0.007","90","","2244","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 N4 O7 Tm -","- C25 H15 N4 O7 Tm -","- C100 H60 N16 O28 Tm4 -","4","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","0.71073","MoKα","","0.0776","0.0486","","","0.0996","0.1114","","","","","","1.029","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021104","31.18","0.03","31.18","0.03","18.229","0.019","90","","90","","120","","15348","3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H25 N4 O9 Sm -","- C38 H25 N4 O9 Sm -","- C684 H450 N72 O162 Sm18 -","18","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","0.71073","MoKα","","0.1054","0.0568","","","0.1292","0.1514","","","","","","1.006","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021105","30.87","0.008","30.87","0.008","17.963","0.004","90","","90","","120","","14825","6","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C38 H25 N4 O9 Tb -","- C38 H25 N4 O9 Tb -","- C684 H450 N72 O162 Tb18 -","18","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","0.71073","MoKα","","0.0411","0.0266","","","0.0608","0.065","","","","","","1.047","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021106","11.476","0.002","12.667","0.002","13.512","0.003","103.635","0.002","99.747","0.002","108.504","0.001","1745.5","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H25 Lu2 N3 O14 -","- C39 H25 Lu2 N3 O14 -","- C78 H50 Lu4 N6 O28 -","2","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","0.71073","MoKα","","0.0334","0.0252","","","0.0467","0.0489","","","","","","1.05","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021107","9.128","0.003","13.654","0.004","14.128","0.004","97.222","0.003","96.653","0.003","105.169","0.003","1665.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 N4 O10 Sm -","- C38 H27 N4 O10 Sm -","- C76 H54 N8 O20 Sm2 -","2","1","","Gu, Jin-Zhong; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Zhu, Kongyang; Wu, Jincai","Lanthanide coordination polymers based on 5-(2'-carboxylphenyl) nicotinate: syntheses, structure diversity, dehydration/hydration, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4822","4830","10.1039/c2dt32674d","","","0.71073","MoKα","","0.0534","0.0412","","","0.0859","0.0919","","","","","","1.037","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021108","15.953","0.003","16.18","0.003","19.858","0.004","97.522","0.002","91.442","0.002","117.355","0.002","4492.1","1.5","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H128.5 Gd Mn7 N6.5 O34 -","- C63 H123 Gd Mn7 N6.5 O34 -","- C126 H246 Gd2 Mn14 N13 O68 -","2","1","","Chen, Hui; Ma, Cheng-Bing; Hu, Ming-Qiang; Wen, Hui-Min; Cui, Hong-Hua; Liu, Jin-Ying; Song, Xiao-Wei; Chen, Chang-Neng","Octanuclear Mn(III)6Mn(II)Ln (Ln = Gd, Dy and Er) clusters with a novel core topology: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4908","4914","10.1039/c2dt32739b","","","0.71073","MoKα","","0.039","0.0359","","","0.0906","0.093","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021109","16.132","0.004","16.348","0.004","20.119","0.004","97.788","0.002","91.859","0.002","116.848","0.002","4663.9","1.9","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H128.5 Dy Mn7 N6 O34.5 -","- C62 H120 Dy Mn7 N6 O34.507 -","- C124 H240 Dy2 Mn14 N12 O69.014 -","2","1","","Chen, Hui; Ma, Cheng-Bing; Hu, Ming-Qiang; Wen, Hui-Min; Cui, Hong-Hua; Liu, Jin-Ying; Song, Xiao-Wei; Chen, Chang-Neng","Octanuclear Mn(III)6Mn(II)Ln (Ln = Gd, Dy and Er) clusters with a novel core topology: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4908","4914","10.1039/c2dt32739b","","","0.71073","MoKα","","0.0865","0.0765","","","0.2144","0.2236","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021110","15.971","0.004","16.222","0.004","19.895","0.004","97.912","0.003","91.3","","117.346","0.002","4513.2","1.8","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H128.5 Er Mn7 N6.5 O34 -","- C63 H120 Er Mn7 N6.5 O34 -","- C126 H240 Er2 Mn14 N13 O68 -","2","1","","Chen, Hui; Ma, Cheng-Bing; Hu, Ming-Qiang; Wen, Hui-Min; Cui, Hong-Hua; Liu, Jin-Ying; Song, Xiao-Wei; Chen, Chang-Neng","Octanuclear Mn(III)6Mn(II)Ln (Ln = Gd, Dy and Er) clusters with a novel core topology: syntheses, structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4908","4914","10.1039/c2dt32739b","","","0.71073","MoKα","","0.0652","0.0498","","","0.1011","0.1057","","","","","","0.985","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021111","25.582","0.007","10.818","0.003","18.629","0.005","90","","123.914","0.003","90","","4278","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H5 Cl3 O3 W -","- C7 H5 Cl3 O3 W -","- C112 H80 Cl48 O48 W16 -","16","2","","Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A crystallographic and spectroscopic study on the reactions of WCl6 with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5635","5648","10.1039/c2dt32771f","","","0.71073","MoKα","","0.0646","0.0439","","","0.1052","0.1175","","","","","","1.006","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021112","10.2279","0.0018","8.4464","0.0015","12.946","0.002","90","","109.452","0.002","90","","1054.6","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H7 Cl4 O3 W -","- C4 H7 Cl4 O3 W -","- C16 H28 Cl16 O12 W4 -","4","1","","Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A crystallographic and spectroscopic study on the reactions of WCl6 with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5635","5648","10.1039/c2dt32771f","","","0.71073","MoKα","","0.0351","0.0334","","","0.0724","0.0733","","","","","","0.989","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021113","18.305","0.004","9.7756","0.0019","12.088","0.002","90","","120.147","0.002","90","","1870.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Cl4 O3 W -","- C3 H5 Cl4 O3 W -","- C24 H40 Cl32 O24 W8 -","8","1","","Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A crystallographic and spectroscopic study on the reactions of WCl6 with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5635","5648","10.1039/c2dt32771f","","","0.71073","MoKα","","0.0291","0.0281","","","0.0613","0.0616","","","","","","1.244","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021114","20.19","0.014","7.212","0.005","8.608","0.006","90","","90","","90","","1253.4","1.5","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H8 Cl4 O2 W -","- C8 H8 Cl4 O2 W -","- C32 H32 Cl16 O8 W4 -","4","0.5","","Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A crystallographic and spectroscopic study on the reactions of WCl6 with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5635","5648","10.1039/c2dt32771f","","","0.71073","MoKα","","0.0439","0.0345","","","0.0772","0.0812","","","","","","1.098","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021115","14.39","0.01","9.985","0.007","16.622","0.011","90","","110.196","0.009","90","","2241","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 Cl6 N2 O W -","- C16 H17 Cl6 N2 O W -","- C64 H68 Cl24 N8 O4 W4 -","4","1","","Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A crystallographic and spectroscopic study on the reactions of WCl6 with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5635","5648","10.1039/c2dt32771f","","","0.71073","MoKα","","0.1739","0.0695","","","0.1478","0.1873","","","","","","0.955","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021116","19.219","0.004","29.661","0.006","13.226","0.003","90","","90","","90","","7540","3","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H19 Cl6 N2 O2 W -","- C10 H19 Cl6 N2 O2 W -","- C160 H304 Cl96 N32 O32 W16 -","16","2","","Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A crystallographic and spectroscopic study on the reactions of WCl6 with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5635","5648","10.1039/c2dt32771f","","","0.71073","MoKα","","0.0365","0.0279","","","0.0626","0.0668","","","","","","1.023","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021117","6.3608","0.0004","9.9793","0.0007","16.0433","0.0011","90","","90","","90","","1018.37","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 Cl4 N O2 W -","- C3 H7 Cl4 N O2 W -","- C12 H28 Cl16 N4 O8 W4 -","4","1","","Dolci, Sara; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","A crystallographic and spectroscopic study on the reactions of WCl6 with carbonyl compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5635","5648","10.1039/c2dt32771f","","","0.71073","MoKα","","0.0174","0.0166","","","0.0383","0.0386","","","","","","1.058","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021118","7.9977","0.0003","17.1647","0.0006","9.7786","0.0003","90","","94.152","0.002","90","","1338.86","0.08","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 Cl N3 O4 S -","- C13 H8 Cl N3 O4 S -","- C52 H32 Cl4 N12 O16 S4 -","4","1","","Prasad, Puja; Khan, Imran; Sasmal, Pijus K.; Koley, Debasis; Kondaiah, Paturu; Chakravarty, Akhil R.","Planar triazinium cations from vanadyl-mediated ring cyclizations: the thiazole species for efficient nuclear staining and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4436","4449","10.1039/c2dt32810k","","","0.71073","MoKα","","0.0909","0.0466","","","0.1308","0.1688","","","","","","0.822","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021119","6.449","0.013","8.009","0.016","14","0.03","77.16","0.03","84.58","0.03","86.44","0.03","701","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Cl N3 O4 -","- C15 H10 Cl N3 O4 -","- C30 H20 Cl2 N6 O8 -","2","1","","Prasad, Puja; Khan, Imran; Sasmal, Pijus K.; Koley, Debasis; Kondaiah, Paturu; Chakravarty, Akhil R.","Planar triazinium cations from vanadyl-mediated ring cyclizations: the thiazole species for efficient nuclear staining and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4436","4449","10.1039/c2dt32810k","","","0.71073","MoKα","","0.1047","0.0976","","","0.3088","0.3247","","","","","","1.482","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021120","6.8143","0.0005","6.8092","0.0004","12.6802","0.0009","90","","92.987","0.003","90","","587.56","0.07","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H8 N3 O5 S V -","- C9 H8 N3 O5 S V -","- C18 H16 N6 O10 S2 V2 -","2","0.5","","Prasad, Puja; Khan, Imran; Sasmal, Pijus K.; Koley, Debasis; Kondaiah, Paturu; Chakravarty, Akhil R.","Planar triazinium cations from vanadyl-mediated ring cyclizations: the thiazole species for efficient nuclear staining and photocytotoxicity.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4436","4449","10.1039/c2dt32810k","","","0.71073","MoKα","","0.0467","0.0373","","","0.1066","0.1131","","","","","","1.066","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021121","13.2298","0.0002","8.9506","0.0002","15.5722","0.0003","90","","103.075","0.001","90","","1796.17","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H30 I N2 -","- C15 H30 I N2 -","- C60 H120 I4 N8 -","4","1","","Dunsford, Jay J.; Tromp, Dorette S.; Cavell, Kingsley J.; Elsevier, Cornelis J.; Kariuki, Benson M.","N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(i) and iridium(i): structural investigations and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7318","7329","10.1039/c2dt32823b","","","0.71073","MoKα","","0.1126","0.0689","","","0.138","0.1554","","","","","","1.078","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021122","18.6021","0.0003","12.6261","0.0002","19.3427","0.0003","90","","90","","90","","4543.06","0.12","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H40 Cl Ir N2 -","- C22 H40 Cl Ir N2 -","- C176 H320 Cl8 Ir8 N16 -","8","1","","Dunsford, Jay J.; Tromp, Dorette S.; Cavell, Kingsley J.; Elsevier, Cornelis J.; Kariuki, Benson M.","N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(i) and iridium(i): structural investigations and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7318","7329","10.1039/c2dt32823b","","","0.71073","MoKα","","0.0891","0.0646","","","0.1163","0.1249","","","","","","1.208","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021123","11.514","0.0003","15.0802","0.0005","14.4033","0.0005","90","","107.804","0.002","90","","2381.12","0.13","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H42 Cl Ir N2 -","- C23 H42 Cl Ir N2 -","- C92 H168 Cl4 Ir4 N8 -","4","1","","Dunsford, Jay J.; Tromp, Dorette S.; Cavell, Kingsley J.; Elsevier, Cornelis J.; Kariuki, Benson M.","N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(i) and iridium(i): structural investigations and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7318","7329","10.1039/c2dt32823b","","","0.71073","MoKα","","0.0928","0.0628","","","0.1515","0.1759","","","","","","1.003","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021124","7.0089","0.0005","13.0334","0.0012","18.072","0.002","90","","90","","90","","1650.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Br N2 -","- C14 H28 Br N2 -","- C56 H112 Br4 N8 -","4","1","","Dunsford, Jay J.; Tromp, Dorette S.; Cavell, Kingsley J.; Elsevier, Cornelis J.; Kariuki, Benson M.","N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(i) and iridium(i): structural investigations and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7318","7329","10.1039/c2dt32823b","","","0.71073","MoKα","","0.1654","0.0559","","","0.1079","0.1178","","","","","","1.035","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021125","25.0834","0.0006","10.1732","0.0003","13.7406","0.0003","90","","90","","90","","3506.3","0.15","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H25 Cl2 I N2 -","- C12 H25 Cl2 I N2 -","- C96 H200 Cl16 I8 N16 -","8","2","","Dunsford, Jay J.; Tromp, Dorette S.; Cavell, Kingsley J.; Elsevier, Cornelis J.; Kariuki, Benson M.","N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(i) and iridium(i): structural investigations and preliminary catalytic evaluation.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7318","7329","10.1039/c2dt32823b","","","0.71073","MoKα","","0.1184","0.0731","","","0.1873","0.2361","","","","","","1.058","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021126","12.7651","0.0007","13.7447","0.0009","47.075","0.003","90","","90","","90","","8259.4","0.9","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H51 Cl2 N2 P Pd -","- C45 H51 Cl2 N2 P Pd -","- C360 H408 Cl16 N16 P8 Pd8 -","8","2","","Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7345","7353","10.1039/c2dt32858e","","","0.71073","MoKα","","0.0587","0.0546","","","0.1194","0.1221","","","","","","1.046","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021127","10.687","0.002","14.147","0.003","15.029","0.003","90","","95.572","0.006","90","","2261.5","0.8","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H69 Cl2 N2 P Pd -","- C45 H69 Cl2 N2 P Pd -","- C90 H138 Cl4 N4 P2 Pd2 -","2","1","","Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7345","7353","10.1039/c2dt32858e","","","0.71073","MoKα","","0.0498","0.0419","","","0.0953","0.1116","","","","","","0.826","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021128","24.122","0.004","24.122","0.004","18.253","0.003","90","","90","","90","","10621","3","93","2","93","2","","","","","","","","6","I -4","I -4","82","","","","- C48 H57 Cl2 N2 P Pd -","- C48 H57 Cl2 N2 P Pd -","- C384 H456 Cl16 N16 P8 Pd8 -","8","1","","Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7345","7353","10.1039/c2dt32858e","","","0.71073","MoKα","","0.0652","0.0541","","","0.1571","0.1662","","","","","","1.085","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021129","13.854","0.003","16.741","0.004","21.852","0.004","93.602","0.005","91.002","0.006","92.724","0.007","5051.3","1.9","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C51.5 H76 Cl3 N2 P Pd -","- C51.5 H75 Cl3 N2 P Pd -","- C206 H300 Cl12 N8 P4 Pd4 -","4","2","","Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7345","7353","10.1039/c2dt32858e","","","0.71073","MoKα","","0.136","0.0966","","","0.2788","0.368","","","","","","1.34","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021130","12.32","0.003","12.759","0.002","21.547","0.005","103.505","0.008","104.578","0.007","93.875","0.009","3158.4","1.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C61.5 H88 Cl5 N2 P Pd -","- C61.5 H88 Cl5 N2 P Pd -","- C123 H176 Cl10 N4 P2 Pd2 -","2","1","","Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7345","7353","10.1039/c2dt32858e","","","0.71073","MoKα","","0.0913","0.0808","","","0.2344","0.2451","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021131","18.58","0.003","14.0874","0.0019","19.401","0.003","90","","90.472","0.003","90","","5077.9","1.3","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H71 Cl2 N2 O2 P Pd -","- C53 H71 Cl2 N2 O2 P Pd -","- C212 H284 Cl8 N8 O8 P4 Pd4 -","4","1","","Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7345","7353","10.1039/c2dt32858e","","","0.71073","MoKα","","0.0596","0.0504","","","0.1297","0.1409","","","","","","1.109","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021132","17.831","0.002","14.5302","0.0019","18.802","0.003","90","","99.784","0.005","90","","4800.5","1.1","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H71 N2 O2 P Pd -","- C53 H71 N2 O2 P Pd -","- C212 H284 N8 O8 P4 Pd4 -","4","1","","Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7345","7353","10.1039/c2dt32858e","","","0.71073","MoKα","","0.1272","0.0875","","","0.2141","0.2548","","","","","","1.035","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021133","11.928","0.002","13.362","0.003","30.789","0.005","90","","92.804","0.005","90","","4901.3","1.6","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H67 Cl2 N2 P Pd -","- C51 H67 Cl2 N2 P Pd -","- C204 H268 Cl8 N8 P4 Pd4 -","4","1","","Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7345","7353","10.1039/c2dt32858e","","","0.71075","MoKα","","","0.0425","","","","0.0904","","","","","","0.964","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021134","9.39","0.01","10.444","0.011","13.796","0.015","103.695","0.014","103.287","0.016","96.525","0.01","1259","2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H70 Cl4 O4 P2 Pd2 -","- C52 H70 Cl4 O4 P2 Pd2 -","- C52 H70 Cl4 O4 P2 Pd2 -","1","0.5","","Schmid, Thibault E.; Jones, Dale C.; Songis, Olivier; Diebolt, Olivier; Furst, Marc R. L.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Mixed phosphine/N-heterocyclic carbene palladium complexes: synthesis, characterization and catalytic use in aqueous Suzuki-Miyaura reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7345","7353","10.1039/c2dt32858e","","","0.71075","MoKα","","","0.1309","","","","0.3519","","","","","","1.404","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021135","13.002","0.0004","19.5502","0.0006","9.0187","0.0003","90","","107.397","0.002","90","","2187.61","0.12","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Br4 N8 O6 -","- C36 H56 Br4 N8 O6 -","- C72 H112 Br8 N16 O12 -","2","0.5","","Schulte To Brinke, Christian; Pape, Tania; Hahn, F. Ekkehardt","Synthesis of polynuclear Ag(i) and Au(i) complexes from macrocyclic tetraimidazolium salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7330","7337","10.1039/c2dt32905k","","","1.54178","CuKα","","0.0512","0.0455","","","0.1204","0.1247","","","","","","1.038","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021136","13.1901","0.0005","8.9195","0.0003","19.5264","0.0005","90","","96.171","0.002","90","","2283.95","0.13","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 F24 N10 P4 -","- C34 H38 F24 N10 P4 -","- C68 H76 F48 N20 P8 -","2","0.5","","Schulte To Brinke, Christian; Pape, Tania; Hahn, F. Ekkehardt","Synthesis of polynuclear Ag(i) and Au(i) complexes from macrocyclic tetraimidazolium salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7330","7337","10.1039/c2dt32905k","","","1.54178","CuKα","","0.0558","0.0488","","","0.1299","0.1351","","","","","","1.058","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021137","11.1472","0.0006","14.5134","0.0007","31.8567","0.0012","90","","99.567","0.003","90","","5082.2","0.4","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H34 Ag2 F12 N8 O P2 S -","- C32 H34 Ag2 F12 N8 O P2 S -","- C128 H136 Ag8 F48 N32 O4 P8 S4 -","4","1","","Schulte To Brinke, Christian; Pape, Tania; Hahn, F. Ekkehardt","Synthesis of polynuclear Ag(i) and Au(i) complexes from macrocyclic tetraimidazolium salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7330","7337","10.1039/c2dt32905k","","","1.54178","CuKα","","0.087","0.0744","","","0.1988","0.2119","","","","","","1.035","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021138","13.2635","0.0005","21.8591","0.0008","26.3883","0.0009","90","","90","","90","","7650.7","0.5","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H34 Au2 F12 N10 P2 -","- C34 H34 Au2 F12 N10 P2 -","- C272 H272 Au16 F96 N80 P16 -","8","1","","Schulte To Brinke, Christian; Pape, Tania; Hahn, F. Ekkehardt","Synthesis of polynuclear Ag(i) and Au(i) complexes from macrocyclic tetraimidazolium salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7330","7337","10.1039/c2dt32905k","","","0.71073","MoKα","","0.0705","0.0378","","","0.077","0.0888","","","","","","1.025","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021139","10.0766","0.0004","13.1939","0.0005","15.1674","0.0006","108.111","0.001","90.968","0.001","101.273","0.001","1873.08","0.13","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Au F18 N8 P3 -","- C30 H30 Au F18 N8 P3 -","- C60 H60 Au2 F36 N16 P6 -","2","1","","Schulte To Brinke, Christian; Pape, Tania; Hahn, F. Ekkehardt","Synthesis of polynuclear Ag(i) and Au(i) complexes from macrocyclic tetraimidazolium salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7330","7337","10.1039/c2dt32905k","","","0.71073","MoKα","","0.0464","0.0346","","","0.0722","0.0765","","","","","","1.01","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021140","14.4717","0.0004","25.3501","0.0006","21.5532","0.0005","90","","94.799","0.002","90","","7879.3","0.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H68 Ag4 F24 N20 P4 -","- C68 H68 Ag4 F24 N20 P4 -","- C272 H272 Ag16 F96 N80 P16 -","4","0.5","","Schulte To Brinke, Christian; Pape, Tania; Hahn, F. Ekkehardt","Synthesis of polynuclear Ag(i) and Au(i) complexes from macrocyclic tetraimidazolium salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7330","7337","10.1039/c2dt32905k","","","1.54178","CuKα","","0.0558","0.0477","","","0.1197","0.1263","","","","","","1.025","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021141","16.4069","0.0018","12.309","0.0014","17.1757","0.0019","90","","110.147","0.001","90","","3256.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 Cl Cu N2 O2 -","- C35 H44 Cl Cu N2 O2 -","- C140 H176 Cl4 Cu4 N8 O8 -","4","1","","Balaghi, S. Esmael; Safaei, Elham; Chiang, Linus; Wong, Edwin W. Y.; Savard, Didier; Clarke, Ryan M.; Storr, Tim","Synthesis, characterization and catalytic activity of copper(ii) complexes containing a redox-active benzoxazole iminosemiquinone ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6829","6839","10.1039/c3dt00004d","","","0.71073","MoKα","","0.1114","0.0422","","0.0714","0.0642","0.0624","","","","","","1.1308","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021142","12.5963","0.0012","16.3407","0.0016","18.3053","0.0018","90","","98.179","0.001","90","","3729.5","0.6","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H50 Cu N3 O4 -","- C39 H50 Cu N3 O4 -","- C156 H200 Cu4 N12 O16 -","4","1","","Balaghi, S. Esmael; Safaei, Elham; Chiang, Linus; Wong, Edwin W. Y.; Savard, Didier; Clarke, Ryan M.; Storr, Tim","Synthesis, characterization and catalytic activity of copper(ii) complexes containing a redox-active benzoxazole iminosemiquinone ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6829","6839","10.1039/c3dt00004d","","","0.71073","MoKα","","0.0659","0.0444","","0.0874","0.0458","0.044","","","","","","1.0332","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021143","13.8039","0.0017","14.5782","0.0016","22.466","0.003","90","","90","","90","","4521","1","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C48 H36 F6 N2 O4 P2 Pd S2 -","- C48 H36 F6 N2 O4 P2 Pd S2 -","- C192 H144 F24 N8 O16 P8 Pd4 S8 -","4","1","","Cai, Yudong; Shi, Yian","Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5232","5236","10.1039/c3dt00007a","","","0.71073","MoKα","","0.0479","0.0449","","","0.0889","0.0914","","","","","","1.078","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021144","9.5931","0.0019","12.862","0.003","11.787","0.002","90","","113.4","0.03","90","","1334.7","0.6","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O4 Pd -","- C29 H32 N2 O4 Pd -","- C58 H64 N4 O8 Pd2 -","2","1","","Cai, Yudong; Shi, Yian","Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5232","5236","10.1039/c3dt00007a","","","0.71073","MoKα","","0.0567","0.051","","","0.09","0.0933","","","","","","1.102","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021145","12.5186","0.0013","17.3401","0.0018","20.879","0.002","90","","90","","90","","4532.3","0.8","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C45 H50 Cl2 Fe O4 P2 Pd Si -","- C45 H50 Cl2 Fe O4 P2 Pd Si -","- C180 H200 Cl8 Fe4 O16 P8 Pd4 Si4 -","4","1","","Cai, Yudong; Shi, Yian","Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5232","5236","10.1039/c3dt00007a","","","0.71073","MoKα","","0.0449","0.0423","","","0.0921","0.0944","","","","","","1.065","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021146","17.696","0.003","13.606","0.003","18.782","0.004","90","","98.3","0.004","90","","4474.8","1.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cl2 Fe O4 P2 Pd -","- C50 H44 Cl2 Fe O4 P2 Pd -","- C200 H176 Cl8 Fe4 O16 P8 Pd4 -","4","1","","Cai, Yudong; Shi, Yian","Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5232","5236","10.1039/c3dt00007a","","","0.71073","MoKα","","0.1629","0.1347","","","0.1872","0.1985","","","","","","1.297","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021147","10.754","0.002","11.776","0.002","12.101","0.002","66.21","0.03","77.67","0.03","89.24","0.03","1365.3","0.6","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H34 Cl2 N2 O2 Pd -","- C28 H34 Cl2 N2 O2 Pd -","- C56 H68 Cl4 N4 O4 Pd2 -","2","2","","Cai, Yudong; Shi, Yian","Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5232","5236","10.1039/c3dt00007a","","","0.71073","MoKα","","0.0391","0.038","","","0.0855","0.0867","","","","","","1.068","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021148","10.839","0.002","12.056","0.002","12.66","0.003","62.3","0.03","78.85","0.03","89.82","0.03","1429.9","0.7","173","2","173","2","","","","","","","","6","P 1","P 1","1","","","","- C28 H42 Cl2 N2 O2 Pd -","- C28 H42 Cl2 N2 O2 Pd -","- C56 H84 Cl4 N4 O4 Pd2 -","2","2","","Cai, Yudong; Shi, Yian","Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5232","5236","10.1039/c3dt00007a","","","0.71073","MoKα","","0.0861","0.0847","","","0.2123","0.2143","","","","","","1.435","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021149","9.8418","0.0015","11.4447","0.0018","24.284","0.004","90","","90","","90","","2735.3","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H37 Cl3 N2 O2 Pd -","- C27 H37 Cl3 N2 O2 Pd -","- C108 H148 Cl12 N8 O8 Pd4 -","4","1","","Cai, Yudong; Shi, Yian","Synthesis and X-ray characterization of novel palladium(II) complexes with tunable chiral anionic counterions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5232","5236","10.1039/c3dt00007a","","","0.71073","MoKα","","0.059","0.0514","","","0.0919","0.0951","","","","","","1.138","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021150","14.3379","0.0005","14.9255","0.0005","37.3985","0.0013","90","","90","","90","","8003.3","0.5","173","2","173","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C78.5 H73 Cl F12 N10 O4 P2 Ru2 S2 -","- C78.5 H73 Cl1.01 F12 N10 O4 P2 Ru2 S2 -","- C314 H292 Cl4.04 F48 N40 O16 P8 Ru8 S8 -","4","1","","Chen, Liang-An; Ding, Xiaobing; Gong, Lei; Meggers, Eric","Thioether-based anchimeric assistance for asymmetric coordination chemistry with ruthenium(ii) and osmium(ii).","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5623","5626","10.1039/c3dt00015j","","","0.71073","MoKα","","0.0986","0.0666","","","0.1047","0.1155","","","","","","1.001","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021151","9.4352","0.0019","19.433","0.004","25.513","0.005","90","","90","","90","","4677.9","1.6","163","2","163","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C57 H52 B N5 O2 Os S -","- C57 H52 B N5 O2 Os S -","- C228 H208 B4 N20 O8 Os4 S4 -","4","1","","Chen, Liang-An; Ding, Xiaobing; Gong, Lei; Meggers, Eric","Thioether-based anchimeric assistance for asymmetric coordination chemistry with ruthenium(ii) and osmium(ii).","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5623","5626","10.1039/c3dt00015j","","","0.71073","MoKα","","0.0398","0.0363","","","0.0777","0.0788","","","","","","1.001","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021152","8.5375","0.0002","21.9688","0.0004","17.2218","0.0003","90","","115.703","0.002","90","","2910.49","0.11","100.1","0.14","100.1","0.14","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","MRK-RS-SndPM","","","- C32 H26 Cl2 N4 O2 Sn -","- C32 H26 Cl2 N4 O2 Sn -","- C128 H104 Cl8 N16 O8 Sn4 -","4","1","","Sharma, Ritambhara; Ghosh, Avijit; Wolfram, Benedikt; Bröring, Martin; Ravikanth, Mangalampalli","Synthesis and characterization of hexa-coordinated Sn(iv) complexes of meso-aryl dipyrrins.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5627","5630","10.1039/c3dt00031a","","","0.7107","MoKα","","0.0225","0.0197","","","0.045","0.0463","","","","","","1.067","","","","has coordinates","288643","2024-01-03","14:02:40",""
"7021153","13.0943","0.0008","26.7035","0.0016","13.132","0.0009","90","","115.872","0.001","90","","4131.6","0.5","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77 H69 Eu3 N4 O22 -","- C77 H69 Eu3 N4 O22 -","- C154 H138 Eu6 N8 O44 -","2","0.5","","Zhou, Xinhui; Li, Honghui; Xiao, Hongping; Li, Liang; Zhao, Qiang; Yang, Tao; Zuo, Jinglin; Huang, Wei","A microporous luminescent europium metal-organic framework for nitro explosive sensing.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5718","5723","10.1039/c3dt00055a","","","0.71073","MoKα","","0.0805","0.0527","","","0.1386","0.1621","","","","","","1.043","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021154","9.1297","0.0004","9.2734","0.0004","19.1974","0.0008","79.937","0.002","80.421","0.002","73.642","0.002","1523.67","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 B2 N6 O -","- C30 H52 B2 N6 O -","- C60 H104 B4 N12 O2 -","2","1","","Melen, Rebecca L.; Stephan, Douglas W.","Cycloaddition reactions between dicyclohexylboron azide and alkynes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4795","4798","10.1039/c3dt00068k","","","0.71073","MoKα","","0.0693","0.0545","","","0.1272","0.1355","","","","","","1.105","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021155","9.5954","0.0013","11.2785","0.0015","17.351","0.002","97.004","0.004","97.151","0.004","101.004","0.005","1808.3","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H55 B2 N6 O P -","- C38 H55 B2 N6 O P -","- C76 H110 B4 N12 O2 P2 -","2","1","","Melen, Rebecca L.; Stephan, Douglas W.","Cycloaddition reactions between dicyclohexylboron azide and alkynes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4795","4798","10.1039/c3dt00068k","","","0.71073","MoKα","","0.071","0.0577","","","0.1176","0.123","","","","","","1.121","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021156","10.3184","0.001","14.6317","0.0015","15.029","0.0016","69.271","0.005","88.761","0.005","75.3","0.005","2046.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H132 B6 N6 O8 -","- C80 H132 B6 N6 O8 -","- C80 H132 B6 N6 O8 -","1","0.5","","Melen, Rebecca L.; Stephan, Douglas W.","Cycloaddition reactions between dicyclohexylboron azide and alkynes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4795","4798","10.1039/c3dt00068k","","","0.71073","MoKα","","0.0812","0.0704","","","0.1558","0.1608","","","","","","1.21","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021157","8.157","0.005","9.634","0.005","19.943","0.005","78.397","0.005","78.995","0.005","82.639","0.005","1500.4","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","bis(2,2'-pirydyliumbenzimidazolium)dichloride bis((bisacetonitrile) tetrachlororuthenate(iii)) (bisacetonitrile)tetrachlororythenium(IV) hexahydrate","bis(2,2'-pirydyliumbenzimidazolium)dichloride bis[(bisacetonitrile) tetrachlororuthenate(III)] (bisacetonitrile)tetrachlororythenium(IV) hexahydrate","","- C36 H40 Cl14 N12 O6 Ru3 -","- C36 H40 Cl14 N12 O6 Ru3 -","- C36 H40 Cl14 N12 O6 Ru3 -","1","0.5","","Jabłońska-Wawrzycka, Agnieszka; Rogala, Patrycja; Michałkiewicz, Sławomir; Hodorowicz, Maciej; Barszcz, Barbara","Ruthenium complexes in different oxidation states: synthesis, crystal structure, spectra and redox properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6092","6101","10.1039/c3dt32214a","","","0.71073","MoKα","","0.0481","0.0343","","","0.083","0.0874","","","","","","1.051","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021158","35.613","0.0011","14.35","0.0004","13.745","0.0004","90","","111.207","0.002","90","","6548.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","mer-(acetonitrile)(trichloro)(2,2'- pyrydylbenzimidazole)ruthenium(iii) 2,2'-pirydylbenzimidazole solvate trihydrate","mer-(acetonitrile)(trichloro)(2,2'-pyrydylbenzimidazole)ruthenium(III) 2,2'-pirydylbenzimidazole solvate trihydrate","","- C26 H21 Cl3 N7 O3 Ru -","- C26 H21 Cl3 N7 O3 Ru -","- C208 H168 Cl24 N56 O24 Ru8 -","8","1","","Jabłońska-Wawrzycka, Agnieszka; Rogala, Patrycja; Michałkiewicz, Sławomir; Hodorowicz, Maciej; Barszcz, Barbara","Ruthenium complexes in different oxidation states: synthesis, crystal structure, spectra and redox properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6092","6101","10.1039/c3dt32214a","","","0.71073","MoKα","","0.0787","0.0702","","","0.1994","0.2101","","","","","","1.1","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021159","7.024","0.005","9.673","0.005","16.021","0.005","84.899","0.005","88.419","0.005","86.979","0.005","1082.4","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","tetrakis(2-hydroxymethylbenzimidazolium) dichloride hexachlororuthenate(IV) tetrahydrate","tetrakis(2-hydroxymethylbenzimidazolium) dichloride hexachlororuthenate(IV) tetrahydrate","","- C32 H40 Cl8 N8 O8 Ru -","- C32 H40 Cl8 N8 O8 Ru -","- C32 H40 Cl8 N8 O8 Ru -","1","0.5","","Jabłońska-Wawrzycka, Agnieszka; Rogala, Patrycja; Michałkiewicz, Sławomir; Hodorowicz, Maciej; Barszcz, Barbara","Ruthenium complexes in different oxidation states: synthesis, crystal structure, spectra and redox properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6092","6101","10.1039/c3dt32214a","","","0.71073","MoKα","","0.0679","0.0641","","","0.1857","0.1886","","","","","","1.16","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021160","33.058","0.004","10.853","0.0012","23.786","0.003","90","","100.712","0.002","90","","8385.2","1.7","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43.51 H51.03 Cl N4 O2.38 Rh -","- C43.5135 H48 Cl N4 O2.378 Rh -","- C348.108 H384 Cl8 N32 O19.024 Rh8 -","8","1","","Keske, Eric C.; Zenkina, Olena V.; Asadi, Ali; Sun, Hongsui; Praetorius, Jeremy M.; Allen, Daryl P.; Covelli, Danielle; Patrick, Brian O.; Wang, Ruiyao; Kennepohl, Pierre; James, Brian R.; Crudden, Cathleen M.","Dioxygen adducts of rhodium N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7414","7423","10.1039/c3dt32264e","","","0.71073","MoKα","","0.0742","0.0432","","","0.0939","0.1013","","","","","","0.914","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021161","12.6388","0.0012","21.168","0.002","19.895","0.002","90","","95.12","0.002","90","","5301.4","0.9","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","chloro-peroxo-bis(1,3-bis(2,6-diisopropylphenyl)imidazol-2- ylidene)-rhodium","","","- C54 H72 Cl1.08 N4 O1.84 Rh -","- C54 H72 Cl1.079 N4 O1.842 Rh -","- C216 H288 Cl4.316 N16 O7.368 Rh4 -","4","1","","Keske, Eric C.; Zenkina, Olena V.; Asadi, Ali; Sun, Hongsui; Praetorius, Jeremy M.; Allen, Daryl P.; Covelli, Danielle; Patrick, Brian O.; Wang, Ruiyao; Kennepohl, Pierre; James, Brian R.; Crudden, Cathleen M.","Dioxygen adducts of rhodium N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7414","7423","10.1039/c3dt32264e","","","0.71073","MoKα","","0.0709","0.0384","","","0.0701","0.0758","","","","","","0.845","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021162","25.697","0.001","25.697","","12.2498","0.0005","90","","90","","120","","7005.3","0.4","173","2","173","2","","","","","","","","7","P 61","P 61","169","","","","- C45 H51 Cl N2 O2 P Rh -","- C45 H51 Cl N2 O2 P Rh -","- C270 H306 Cl6 N12 O12 P6 Rh6 -","6","1","","Keske, Eric C.; Zenkina, Olena V.; Asadi, Ali; Sun, Hongsui; Praetorius, Jeremy M.; Allen, Daryl P.; Covelli, Danielle; Patrick, Brian O.; Wang, Ruiyao; Kennepohl, Pierre; James, Brian R.; Crudden, Cathleen M.","Dioxygen adducts of rhodium N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7414","7423","10.1039/c3dt32264e","","","0.71073","MoKα","","0.0501","0.0379","","","0.0767","0.0808","","","","","","1.013","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021163","12.6052","0.0011","21.171","0.002","19.8672","0.0018","90","","95.098","0.005","90","","5280.9","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl N4 O2 Rh -","- C54 H72 Cl N4 O2 Rh -","- C216 H288 Cl4 N16 O8 Rh4 -","4","1","","Keske, Eric C.; Zenkina, Olena V.; Asadi, Ali; Sun, Hongsui; Praetorius, Jeremy M.; Allen, Daryl P.; Covelli, Danielle; Patrick, Brian O.; Wang, Ruiyao; Kennepohl, Pierre; James, Brian R.; Crudden, Cathleen M.","Dioxygen adducts of rhodium N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7414","7423","10.1039/c3dt32264e","","","0.71073","MoKα","","0.0871","0.0397","","","0.0812","0.0986","","","","","","1.024","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021164","12.6048","0.0005","21.1023","0.001","19.8279","0.0009","90","","95.063","0.001","90","","5253.5","0.4","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl N4 O2 Rh -","- C54 H72 Cl N4 O2 Rh -","- C216 H288 Cl4 N16 O8 Rh4 -","4","1","","Keske, Eric C.; Zenkina, Olena V.; Asadi, Ali; Sun, Hongsui; Praetorius, Jeremy M.; Allen, Daryl P.; Covelli, Danielle; Patrick, Brian O.; Wang, Ruiyao; Kennepohl, Pierre; James, Brian R.; Crudden, Cathleen M.","Dioxygen adducts of rhodium N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7414","7423","10.1039/c3dt32264e","","","0.71073","MoKα","","0.0855","0.0486","","","0.0732","0.0855","","","","","","1.021","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021165","32.9","0.003","10.8535","0.0009","23.717","0.002","90","","100.445","0.003","90","","8328.5","1.2","173","1","173","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 Cl N4 O2.5 Rh -","- C43.392 H51.132 Cl N4 O2.348 Rh -","- C347.136 H409.056 Cl8 N32 O18.784 Rh8 -","8","1","","Keske, Eric C.; Zenkina, Olena V.; Asadi, Ali; Sun, Hongsui; Praetorius, Jeremy M.; Allen, Daryl P.; Covelli, Danielle; Patrick, Brian O.; Wang, Ruiyao; Kennepohl, Pierre; James, Brian R.; Crudden, Cathleen M.","Dioxygen adducts of rhodium N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7414","7423","10.1039/c3dt32264e","","","0.71073","MoKα","","0.0898","0.0438","","","0.0849","0.0983","","","","","","1.002","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021166","14.0913","0.0017","10.8393","0.0009","13.9585","0.0015","90","","110.917","0.013","90","","1991.5","0.4","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C100 H84 N4 O16 -","4","0.5","","Pouessel, Jacky; Abada, Sabah; Le Bris, Nathalie; Elhabiri, Mourad; Charbonnière, Loïc J; Tripier, Raphaël","A new bis-tetraamine ligand with a chromophoric 4-(9-anthracenyl)-2,6-dimethylpyridinyl linker for glyphosate and ATP sensing.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4859","4872","10.1039/c3dt32325k","","x-ray","0.71073","MoKα","","0.1458","0.0503","","","0.076","0.0989","","","","","","0.911","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021167","21.7511","0.0017","11.4643","0.0009","37.772","0.003","90","","90","","90","","9418.9","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H23 Cl N2 Pt -","- C14 H23 Cl N2 Pt -","- C336 H552 Cl24 N48 Pt24 -","24","3","","Barone, Carmen R.; Coletti, Cecilia; McQuitty, Ruth J.; Farrer, Nicola J.; Lorusso, Giuseppe; Maresca, Luciana; Marrone, Alessandro; Natile, Giovanni; Pacifico, Concetta; Parsons, Simon; Re, Nazzareno; Sadler, Peter J.; White, Fraser J.","Photo-isomerisation of alkenyl complexes of platinum(ii): structural, spectroscopic, kinetic and computational investigations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6840","6851","10.1039/c3dt32354d","","","0.71073","MoKα","","0.0414","0.0307","","","0.0659","0.0687","","","","","","1.075","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7021168","7.9854","0.0004","20.2676","0.001","9.6517","0.0005","90","","97.931","0.003","90","","1547.14","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 Cl N2 Pt -","- C14 H23 Cl N2 Pt -","- C56 H92 Cl4 N8 Pt4 -","4","1","","Barone, Carmen R.; Coletti, Cecilia; McQuitty, Ruth J.; Farrer, Nicola J.; Lorusso, Giuseppe; Maresca, Luciana; Marrone, Alessandro; Natile, Giovanni; Pacifico, Concetta; Parsons, Simon; Re, Nazzareno; Sadler, Peter J.; White, Fraser J.","Photo-isomerisation of alkenyl complexes of platinum(ii): structural, spectroscopic, kinetic and computational investigations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6840","6851","10.1039/c3dt32354d","","","0.71073","MoKα","","0.0642","0.0526","","","0.1272","0.1313","","","","","","1.128","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7021169","10.0881","0.0006","12.1859","0.0006","13.5748","0.0006","90","","90","","90","","1668.79","0.15","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Cl N2 O Pt -","- C15 H25 Cl N2 O Pt -","- C60 H100 Cl4 N8 O4 Pt4 -","4","1","","Barone, Carmen R.; Coletti, Cecilia; McQuitty, Ruth J.; Farrer, Nicola J.; Lorusso, Giuseppe; Maresca, Luciana; Marrone, Alessandro; Natile, Giovanni; Pacifico, Concetta; Parsons, Simon; Re, Nazzareno; Sadler, Peter J.; White, Fraser J.","Photo-isomerisation of alkenyl complexes of platinum(ii): structural, spectroscopic, kinetic and computational investigations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6840","6851","10.1039/c3dt32354d","","","0.71073","MoKα","","0.019","0.0177","","","0.0384","0.0386","","","","","","1.005","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021170","27.2807","0.0007","8.1215","0.0002","15.6844","0.0004","90","","97.4263","0.0019","90","","3445.89","0.15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl N3 O2 Pt -","- C14 H22 Cl N3 O2 Pt -","- C112 H176 Cl8 N24 O16 Pt8 -","8","1","","Barone, Carmen R.; Coletti, Cecilia; McQuitty, Ruth J.; Farrer, Nicola J.; Lorusso, Giuseppe; Maresca, Luciana; Marrone, Alessandro; Natile, Giovanni; Pacifico, Concetta; Parsons, Simon; Re, Nazzareno; Sadler, Peter J.; White, Fraser J.","Photo-isomerisation of alkenyl complexes of platinum(ii): structural, spectroscopic, kinetic and computational investigations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6840","6851","10.1039/c3dt32354d","","","0.71073","MoKα","","0.0634","0.0473","","","0.1231","0.1364","","","","","","1.022","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021171","9.5506","0.0002","14.1282","0.0003","14.2614","0.001","85.624","0.006","87.635","0.006","86.017","0.006","1912.83","0.15","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 Cl2 Fe N5 -","- C36 H50 Cl2 Fe N5 -","- C72 H100 Cl4 Fe2 N10 -","2","1","","Wu, Jianguo; Dai, Wei; Farnaby, Joy H.; Hazari, Nilay; Le Roy, Jennifer J.; Mereacre, Valeriu; Murugesu, Muralee; Powell, Annie K.; Takase, Michael K.","Synthesis and catalytic activity of iron complexes with bidentate NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7404","7413","10.1039/c3dt32551b","","","1.54187","CuKα","","0.0898","0.0832","","","0.2388","0.2486","","","","","","1.075","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021172","12.9406","0.0003","9.3355","0.0002","22.9686","0.0016","90","","91.132","0.006","90","","2774.2","0.2","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H33 Cl2 Fe N5 O0.5 -","- C29 H33 Cl2 Fe N5 O0.5 -","- C116 H132 Cl8 Fe4 N20 O2 -","4","1","","Wu, Jianguo; Dai, Wei; Farnaby, Joy H.; Hazari, Nilay; Le Roy, Jennifer J.; Mereacre, Valeriu; Murugesu, Muralee; Powell, Annie K.; Takase, Michael K.","Synthesis and catalytic activity of iron complexes with bidentate NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7404","7413","10.1039/c3dt32551b","","","1.54187","CuKα","","0.0939","0.0832","","","0.1768","0.1818","","","","","","1.144","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021173","9.3137","0.0002","29.3333","0.0005","22.4626","0.0016","90","","98.7","0.007","90","","6066.2","0.5","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl2 Fe N5 -","- C32 H36 Cl2 Fe N5 -","- C256 H288 Cl16 Fe8 N40 -","8","2","","Wu, Jianguo; Dai, Wei; Farnaby, Joy H.; Hazari, Nilay; Le Roy, Jennifer J.; Mereacre, Valeriu; Murugesu, Muralee; Powell, Annie K.; Takase, Michael K.","Synthesis and catalytic activity of iron complexes with bidentate NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7404","7413","10.1039/c3dt32551b","","","1.54187","CuKα","","0.0766","0.0626","","","0.1619","0.1716","","","","","","1.078","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021174","9.434","0.004","30.102","0.0007","23.022","0.0016","90","","101.188","0.015","90","","6414","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H74 Br4 Fe2 N10 -","- C65 H74 Br4 Fe2 N10 -","- C260 H296 Br16 Fe8 N40 -","4","1","","Wu, Jianguo; Dai, Wei; Farnaby, Joy H.; Hazari, Nilay; Le Roy, Jennifer J.; Mereacre, Valeriu; Murugesu, Muralee; Powell, Annie K.; Takase, Michael K.","Synthesis and catalytic activity of iron complexes with bidentate NHC ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7404","7413","10.1039/c3dt32551b","","","0.71075","MoKα","","0.0688","0.0429","","","0.0904","0.1015","","","","","","1.071","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021175","14.2518","0.0011","16.8486","0.0014","24.629","0.002","90.447","0.001","101.459","0.001","111.43","0.001","5374.4","0.8","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H110 Dy3 N5 Ni5 O35 -","- C95 H99 Dy3 N5 Ni5 O35 -","- C190 H198 Dy6 N10 Ni10 O70 -","2","1","","Wang, Huiyu; Ke, Hongshan; Lin, Shuang-Yan; Guo, Yang; Zhao, Lang; Tang, Jinkui; Li, Yun-Hui","Heterometallic octanuclear RE(III)3Ni(II)5 (RE = Dy(III), Gd(III) and Y(III)) clusters with slow magnetic relaxation for the dysprosium derivative.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5298","5303","10.1039/c3dt32572e","","","0.71073","MoKα","","0.1004","0.0658","","","0.1886","0.2151","","","","","","1.047","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021176","14.2034","0.0011","16.8522","0.0013","24.8633","0.0018","90.061","0.001","101.261","0.001","111.478","0.001","5414.2","0.7","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C98 H114 Gd3 N5 Ni5 O34 -","- C98 H103 Gd3 N5 Ni5 O34 -","- C196 H206 Gd6 N10 Ni10 O68 -","2","1","","Wang, Huiyu; Ke, Hongshan; Lin, Shuang-Yan; Guo, Yang; Zhao, Lang; Tang, Jinkui; Li, Yun-Hui","Heterometallic octanuclear RE(III)3Ni(II)5 (RE = Dy(III), Gd(III) and Y(III)) clusters with slow magnetic relaxation for the dysprosium derivative.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5298","5303","10.1039/c3dt32572e","","","0.71073","MoKα","","0.08","0.0557","","","0.1605","0.1803","","","","","","1.058","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021177","14.1844","0.0008","16.7095","0.0009","24.7467","0.0014","90.403","0.001","101.487","0.001","111.234","0.001","5337.5","0.5","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H112 N5 Ni5 O35 Y3 -","- C96 H103 N5 Ni5 O35 Y3 -","- C192 H206 N10 Ni10 O70 Y6 -","2","1","","Wang, Huiyu; Ke, Hongshan; Lin, Shuang-Yan; Guo, Yang; Zhao, Lang; Tang, Jinkui; Li, Yun-Hui","Heterometallic octanuclear RE(III)3Ni(II)5 (RE = Dy(III), Gd(III) and Y(III)) clusters with slow magnetic relaxation for the dysprosium derivative.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5298","5303","10.1039/c3dt32572e","","","0.71073","MoKα","","0.1642","0.084","","","0.2262","0.2783","","","","","","1.042","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021178","14.4349","0.0013","26.361","0.003","10.5333","0.0009","90","","90","","90","","4008.1","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28 H36 Cl4 Cu2 N8 O16 -","- C28 H36 Cl4 Cu2 N8 O16 -","- C112 H144 Cl16 Cu8 N32 O64 -","4","0.5","","Kumar, Pankaj; Kalita, Apurba; Mondal, Biplab","Nitric oxide reactivity of Cu(ii) complexes of tetra- and pentadentate ligands: structural influence in deciding the reduction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5731","5739","10.1039/c3dt32580f","","x-ray","0.71073","MoKα","","0.0913","0.0543","","","0.092","0.1001","","","","","","1.073","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021179","13.6944","0.0004","26.3827","0.0008","11.2946","0.0003","90","","90","","90","","4080.7","0.2","296","2","296","2","","","","","","","Synthesised","6","P n m a","-P 2ac 2n","62","","","","- C30 H36 Cl3 Cu2 N8 O13 -","- C30 H36 Cl3 Cu2 N8 O13 -","- C120 H144 Cl12 Cu8 N32 O52 -","4","0.5","","Kumar, Pankaj; Kalita, Apurba; Mondal, Biplab","Nitric oxide reactivity of Cu(ii) complexes of tetra- and pentadentate ligands: structural influence in deciding the reduction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5731","5739","10.1039/c3dt32580f","","x-ray","0.71073","MoKα","","0.1461","0.1303","","","0.3822","0.394","","","","","","1.664","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021180","8.7895","0.0003","12.8229","0.0005","11.1763","0.0005","90","","94.308","0.002","90","","1256.09","0.09","296","2","296","2","","","","","","","Synthesised","6","P 1 n 1","P -2yac","7","","","","- C20 H22 Cl2 Cu N5 O9 -","- C20 H22 Cl2 Cu N5 O9 -","- C40 H44 Cl4 Cu2 N10 O18 -","2","1","","Kumar, Pankaj; Kalita, Apurba; Mondal, Biplab","Nitric oxide reactivity of Cu(ii) complexes of tetra- and pentadentate ligands: structural influence in deciding the reduction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5731","5739","10.1039/c3dt32580f","","x-ray","0.71073","MoKα","","0.0719","0.0454","","","0.1098","0.1192","","","","","","0.906","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021181","8.9766","0.0002","9.9809","0.0002","16.3225","0.0004","91.17","0.001","94.844","0.001","110.289","0.001","1364.84","0.05","293","2","293","2","","","","","","","Synthesised","6","P -1","-P 1","2","","","","- C21 H27 Cl2 Cu N7 O8 -","- C21 H27 Cl2 Cu N7 O8 -","- C42 H54 Cl4 Cu2 N14 O16 -","2","1","","Kumar, Pankaj; Kalita, Apurba; Mondal, Biplab","Nitric oxide reactivity of Cu(ii) complexes of tetra- and pentadentate ligands: structural influence in deciding the reduction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5731","5739","10.1039/c3dt32580f","","x-ray","0.71073","MoKα","","0.0747","0.0549","","","0.155","0.1674","","","","","","0.992","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021182","24.044","0.001","22.337","0.001","10.3136","0.0004","90","","90","","90","","5539.1","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C40 H38 F19 Mg3 N5 O15 -","- C40 H33 F19 Mg3 N5 O15 -","- C160 H132 F76 Mg12 N20 O60 -","4","1","","Noack, Johannes; Fritz, Carsten; Flügel, Clemens; Hemmann, Felix; Gläsel, Hans-Jürgen; Kahle, Olaf; Dreyer, Christian; Bauer, Monika; Kemnitz, Erhard","Metal fluoride-based transparent nanocomposites with low refractive indices.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5706","5710","10.1039/c3dt32652g","","","0.71073","MoKα","","0.1542","0.1354","","","0.3331","0.3443","","","","","","1.041","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021183","17.069","0.003","26.593","0.004","26.75","0.005","90","","90","","90","","12142","4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H115 Cl6 Gd5 N18 Ni12 O95 -","- C48 H78 Gd5 N18 Ni12 O60 -","- C192 H312 Gd20 N72 Ni48 O240 -","4","1","","Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","New 3d-4f heterometallic clusters built from mixed glycine and iminodiacetate acid: dioctahedron {La2Ni9} and onion-like {Gd5}⊂{Ni12} with interesting magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5711","5717","10.1039/c3dt32752c","","","0.71073","MoKα","","0.0525","0.0449","","","0.0996","0.1029","","","","","","0.997","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021184","15","0.002","15","0.002","29.211","0.009","90","","90","","120","","5692","2","293","2","293","2","","","","","","","","8","P -6 2 c","P -6c -2c","190","","","","- C36 H108 Cl9 La3 N15 Na3 Ni9 O96 -","- C36 H84 Cl9 La3 N15 Ni9 O84 -","- C72 H168 Cl18 La6 N30 Ni18 O168 -","2","0.166667","","Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","New 3d-4f heterometallic clusters built from mixed glycine and iminodiacetate acid: dioctahedron {La2Ni9} and onion-like {Gd5}⊂{Ni12} with interesting magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5711","5717","10.1039/c3dt32752c","","","0.71073","MoKα","","0.0316","0.0298","","","0.0784","0.0796","","","","","","1.073","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021185","9.2589","0.0012","14.846","0.003","21.138","0.004","108.121","0.008","98.105","0.008","93.99","0.008","2713.9","0.8","100","","100","","","","","","","","Synthesized by the authors. See text","7","P -1","-P 1","2","","","","- C55 H36 Br F12 N11 P2 Ru -","- C55 H36 Br F12 N11 P2 Ru -","- C110 H72 Br2 F24 N22 P4 Ru2 -","2","1","","Santoni, Marie-Pierre; Nastasi, Francesco; Campagna, Sebastiano; Hanan, Garry S; Hasenknopf, Bernold; Ciofini, Ilaria","Understanding the redox properties of dinuclear ruthenium(II) complexes by a joint experimental and theoretical analysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5281","5291","10.1039/c3dt32781g","","","1.54178","CuKα","","0.2151","0.1662","","","0.3996","0.4348","","","","","","1.184","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021186","8.7303","0.0008","47.169","0.004","11.5648","0.0011","90","","101.399","0.004","90","","4668.4","0.7","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C74 H48 Br2 N16 Ru2 -","- C74 H48 Br2 N16 Ru2 -","- C148 H96 Br4 N32 Ru4 -","2","0.5","","Santoni, Marie-Pierre; Nastasi, Francesco; Campagna, Sebastiano; Hanan, Garry S; Hasenknopf, Bernold; Ciofini, Ilaria","Understanding the redox properties of dinuclear ruthenium(II) complexes by a joint experimental and theoretical analysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5281","5291","10.1039/c3dt32781g","","","1.54178","CuKα","","0.1357","0.1076","","","0.2875","0.3049","","","","","","1.074","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021187","8.762","0.0001","9.718","0.0002","38.7815","0.0005","90","","93.822","0.001","90","","3294.87","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H23 Ir N4 O4 -","- C34 H23 Ir N4 O4 -","- C136 H92 Ir4 N16 O16 -","4","1","","Qin, Lijie; Yang, Hong; Qin, Changyuan; Xiang, Zheyuan; Zhang, Mingming; Ding, Liang; Yi, Tao; Yang, Shiping","Guest induced morphological transformation from nanospheres to nanowires by hydrogen bond self-assembly.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4790","4794","10.1039/c3dt32830a","","","1.54178","CuKα","","0.0582","0.0481","","","0.1167","0.1224","","","","","","1.021","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7021188","11.0535","0.0006","11.5821","0.0007","11.9965","0.0006","101.217","0.0017","99.4456","0.0017","106.802","0.0017","1401.91","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29.5 H31 Cl N4 O3 Pd -","- C29.5 H31 Cl N4 O3 Pd -","- C59 H62 Cl2 N8 O6 Pd2 -","2","1","","Sluijter, Soraya N.; Warsink, Stefan; Lutz, Martin; Elsevier, Cornelis J.","Synthesis of palladium(0) and -(ii) complexes with chelating bis(N-heterocyclic carbene) ligands and their application in semihydrogenation.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7365","7372","10.1039/c3dt32835j","","","0.71073","MoKα","","0.0394","0.0315","","","0.0804","0.0845","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021189","8.818","0.007","14.019","0.011","22.704","0.018","78.851","0.016","84.38","0.02","89.824","0.019","2740","4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H20 Co2 O6 -","- C32 H20 Co2 O6 -","- C128 H80 Co8 O24 -","4","2","","Lentijo, Sergio; Aullón, Gabriel; Miguel, Jesús A; Espinet, Pablo","Highly fluorescent complexes with gold, palladium or platinum linked to perylene through a tetrafluorophenyl group.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6353","6365","10.1039/c3dt32843k","","","0.71073","MoKα","","0.1646","0.0579","","","0.1205","0.1735","","","","","","0.966","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021190","7.685","0.003","24.297","0.008","30.344","0.01","90","","90","","90","","5666","3","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C31 H20 Au F4 N -","- C31 H20 Au F4 N -","- C248 H160 Au8 F32 N8 -","8","1","","Lentijo, Sergio; Aullón, Gabriel; Miguel, Jesús A; Espinet, Pablo","Highly fluorescent complexes with gold, palladium or platinum linked to perylene through a tetrafluorophenyl group.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6353","6365","10.1039/c3dt32843k","","","0.71073","MoKα","","0.1471","0.0657","","","0.1679","0.2173","","","","","","1.075","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021191","11.526","0.003","12.499","0.004","20.347","0.006","78.327","0.006","80.155","0.006","70.918","0.006","2695.4","1.4","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H43 Cl2 F4 N P2 Pd S -","- C64 H43 Cl2 F4 N P2 Pd S -","- C128 H86 Cl4 F8 N2 P4 Pd2 S2 -","2","1","","Lentijo, Sergio; Aullón, Gabriel; Miguel, Jesús A; Espinet, Pablo","Highly fluorescent complexes with gold, palladium or platinum linked to perylene through a tetrafluorophenyl group.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6353","6365","10.1039/c3dt32843k","","","0.71073","MoKα","","0.0868","0.0572","","","0.148","0.1733","","","","","","1.028","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021192","17.546","0.003","11.158","0.002","18.392","0.003","90","","118.33","0.02","90","","3169.5","1.1","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 N5 O9 Zn -","- C25 H42 N5 O9 Zn -","- C100 H168 N20 O36 Zn4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Modulating methane storage in anionic nano-porous MOF materials via post-synthetic cation exchange process.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4786","4789","10.1039/c3dt32846e","","","1.54187","CuKα","","0.0798","0.0619","","","0.1491","0.181","","","","","","1.15","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021193","8.5321","0.0016","11.903","0.002","14.168","0.003","90","","94.368","0.004","90","","1434.7","0.5","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H19 Cu N5 O6 S -","- C8 H19 Cu N5 O6 S -","- C32 H76 Cu4 N20 O24 S4 -","4","1","","Hormann, Jan; Perera, Chrischani; Deibel, Naina; Lentz, Dieter; Sarkar, Biprajit; Kulak, Nora","Straightforward approach to efficient oxidative DNA cleaving agents based on Cu(ii) complexes of heterosubstituted cyclens.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4357","4360","10.1039/c3dt32857k","","","0.71073","MoKα","","0.0264","0.0241","","","0.0639","0.0649","","","","","","1.129","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021194","7.9211","0.0019","11.979","0.003","14.757","0.003","90","","92.587","0.005","90","","1398.8","0.6","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H19 Cu N5 O7 -","- C8 H19 Cu N5 O7 -","- C32 H76 Cu4 N20 O28 -","4","1","","Hormann, Jan; Perera, Chrischani; Deibel, Naina; Lentz, Dieter; Sarkar, Biprajit; Kulak, Nora","Straightforward approach to efficient oxidative DNA cleaving agents based on Cu(ii) complexes of heterosubstituted cyclens.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4357","4360","10.1039/c3dt32857k","","","0.71073","MoKα","","0.0399","0.029","","","0.0683","0.0731","","","","","","1.089","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021195","14.4126","0.0003","19.1785","0.0004","17.1627","0.0004","90","","96.027","0.002","90","","4717.75","0.18","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H52 Ag4 I4 N8 -","- C40 H52 Ag4 I4 N8 -","- C160 H208 Ag16 I16 N32 -","4","1","","Clark, Wesley D.; Tyson, Ginger E.; Hollis, T. Keith; Valle, Henry U.; Valente, Edward J.; Oliver, Allen G.; Dukes, Matthew P.","Toward molecular rotors: tetra-N-heterocyclic carbene Ag(i)-halide cubane-type clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7338","7344","10.1039/c3dt32862g","","","0.71073","MoKα","","0.0248","0.0189","","","0.0453","0.0463","","","","","","1.004","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021196","16.158","0.0004","16.9023","0.0004","17.5083","0.0004","90","","90","","90","","4781.6","0.2","100","2","100","2","","","","","","","","5","P 21 c n","P -2n 2a","33","","","","- C36 H46 Ag4 Br4 N12 -","- C36 H46 Ag4 Br4 N12 -","- C144 H184 Ag16 Br16 N48 -","4","1","","Clark, Wesley D.; Tyson, Ginger E.; Hollis, T. Keith; Valle, Henry U.; Valente, Edward J.; Oliver, Allen G.; Dukes, Matthew P.","Toward molecular rotors: tetra-N-heterocyclic carbene Ag(i)-halide cubane-type clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7338","7344","10.1039/c3dt32862g","","","1.54178","CuKα","","0.0574","0.0453","","","0.1162","0.1258","","","","","","1.035","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021197","12.1183","0.0002","17.1196","0.0003","23.9166","0.0004","90","","102.431","0.001","90","","4845.43","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Ag4 I4 N12 -","- C36 H48 Ag4 I4 N12 -","- C144 H192 Ag16 I16 N48 -","4","1","","Clark, Wesley D.; Tyson, Ginger E.; Hollis, T. Keith; Valle, Henry U.; Valente, Edward J.; Oliver, Allen G.; Dukes, Matthew P.","Toward molecular rotors: tetra-N-heterocyclic carbene Ag(i)-halide cubane-type clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7338","7344","10.1039/c3dt32862g","","","1.54178","CuKα","","0.0627","0.048","","","0.1225","0.1325","","","","","","1.02","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021198","24.593","0.019","13.718","0.01","19.601","0.015","90","","102.384","0.009","90","","6459","8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Ag2 Cl4 I2 N4 -","- C24 H30 Ag2 Cl4 I2 N4 -","- C192 H240 Ag16 Cl32 I16 N32 -","8","1","","Clark, Wesley D.; Tyson, Ginger E.; Hollis, T. Keith; Valle, Henry U.; Valente, Edward J.; Oliver, Allen G.; Dukes, Matthew P.","Toward molecular rotors: tetra-N-heterocyclic carbene Ag(i)-halide cubane-type clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7338","7344","10.1039/c3dt32862g","","","0.71073","MoKα","","0.0797","0.0605","","","0.1276","0.1428","","","","","","1.16","","","","has coordinates,has disorder","179916","2020-10-21","18:00:00",""
"7021199","20.6181","0.0012","12.8667","0.0007","19.8917","0.0011","90","","90","","90","","5277","0.5","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H48 Ag4 Cl4 I4 N8 -","- C42 H48 Ag4 Cl4 I4 N8 -","- C168 H192 Ag16 Cl16 I16 N32 -","4","0.5","","Clark, Wesley D.; Tyson, Ginger E.; Hollis, T. Keith; Valle, Henry U.; Valente, Edward J.; Oliver, Allen G.; Dukes, Matthew P.","Toward molecular rotors: tetra-N-heterocyclic carbene Ag(i)-halide cubane-type clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7338","7344","10.1039/c3dt32862g","","","0.71073","MoKα","","0.0554","0.0376","","","0.0753","0.0835","","","","","","1.042","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7021200","11.777","0.003","14.164","0.004","14.389","0.004","113.118","0.007","101.147","0.006","99.392","0.006","2088.4","1","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H41 B Cl3 N5 Pt -","- C45 H41 B Cl3 N5 Pt -","- C90 H82 B2 Cl6 N10 Pt2 -","2","1","","Uesugi, Haruka; Tsukuda, Toshiaki; Takao, Koichiro; Tsubomura, Taro","Highly emissive platinum(ii) complexes bearing carbene and cyclometalated ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7396","7403","10.1039/c3dt32866j","","","0.7107","MoKα","","","0.0875","","","","0.1799","","","","","","1.139","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021201","8.3739","0.0018","28.055","0.006","12.374","0.003","90","","106.265","0.0007","90","","2790.7","1.1","123","","123","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C25 H30 F6 N5 O P Pt -","- C25 H30 F6 N5 O P Pt -","- C100 H120 F24 N20 O4 P4 Pt4 -","4","1","","Uesugi, Haruka; Tsukuda, Toshiaki; Takao, Koichiro; Tsubomura, Taro","Highly emissive platinum(ii) complexes bearing carbene and cyclometalated ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7396","7403","10.1039/c3dt32866j","","","0.7107","MoKα","","","0.0356","","","","0.0776","","","","","","1.085","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021202","11.5622","0.0006","16.9673","0.0008","20.7405","0.0009","85.69","0.004","82.885","0.004","71.258","0.004","3820.7","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H40 Cl2 N6 Ni O4 P2 S4 -","- C25 H40 Cl2 N6 Ni O4 P2 S4 -","- C100 H160 Cl8 N24 Ni4 O16 P8 S16 -","4","2","","Safin, Damir A; Babashkina, Maria G; Kubisiak, Piotr; Mitoraj, Mariusz P; Robeyns, Koen; Goovaerts, Etienne; Garcia, Yann","Complexation properties of N-thiophosphorylated thiourea 2-PyNHC(S)NHP(S)(OiPr)2 towards Ni(II).","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5252","5257","10.1039/c3dt32886d","","","0.71073","MoKα","","0.1078","0.0775","","","0.2123","0.2323","","","","","","0.909","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021203","82.21","0.02","5.4906","0.0015","7.579","0.002","90","","94.149","0.005","90","","3412.1","1.5","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C56 H112 I N6 O17 Pt S2 -","- C56 H112 I N6 O17 Pt S2 -","- C112 H224 I2 N12 O34 Pt2 S4 -","2","0.5","","Shin, Minseob; Takaishi, Shinya; Kumagai, Shohei; Ueda, Yutaro; Breedlove, Brian K.; Matsuzaki, Hiroyuki; Okamoto, Hiroshi; Wakabayashi, Yusuke; Yamashita, Masahiro","Smallest optical gap for quasi-one-dimensional iodo-bridged platinum compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6277","6280","10.1039/c3dt32890b","","","0.71073","MoKα","","0.0901","0.0751","","","0.1978","0.2248","","","","","","1.128","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021204","25.4796","0.0032","6.8649","0.0007","8.9741","0.0011","90","","99.204","0.007","90","","1549.5","0.3","100","2","100","2","","","","","","","synthesis as described","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H14 N4 -","- C21 H14 N4 -","- C84 H56 N16 -","4","1","","Das, Sudipta; Sahana, Animesh; Banerjee, Arnab; Lohar, Sisir; Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann; Hauli, Ipsit; Mukhopadhyay, Subhra Kanti; Das, Debasis","Ratiometric fluorescence sensing and intracellular imaging of Al(3+) ions driven by an intramolecular excimer formation of a pyrimidine-pyrene scaffold.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4757","4763","10.1039/c3dt32908a","","x-ray","0.7107","MoKα","","0.0501","0.0378","","","0.1101","0.1277","","","","","","1.084","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021205","9.5803","0.0006","7.6532","0.0005","9.6551","0.0006","90","","98.737","0.003","90","","699.7","0.08","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Pentacarbonyl(ethoxy-thiophenyl-methylidene)chromium","","- C12 H8 Cr O6 S -","- C12 H8 Cr O6 S -","- C24 H16 Cr2 O12 S2 -","2","0.5","","van der Westhuizen, Belinda; Swarts, Pieter J; Strydom, Ian; Liles, David C; Fernández, Israel; Swarts, Jannie C; Bezuidenhout, Daniela I","Electrochemical illumination of thienyl and ferrocenyl chromium(0) Fischer carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5367","5378","10.1039/c3dt32913e","","","0.71073","MoKα","","0.0861","0.0787","","","0.2325","0.2371","","","","","","1.199","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021206","15.6132","0.0006","8.3923","0.0003","25.6743","0.0009","90","","92.964","0.002","90","","3359.6","0.2","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H43 Cl Cu Li N2 O5 -","- C32 H43 Cl Cu Li N2 O5 -","- C128 H172 Cl4 Cu4 Li4 N8 O20 -","4","1","","César, Vincent; Barthes, Cécile; Farré, Yoann C; Cuisiat, Stéphane V; Vacher, Bernard Y.; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","Anionic and zwitterionic copper(i) complexes incorporating an anionic N-heterocyclic carbene decorated with a malonate backbone: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7373","7385","10.1039/c3dt32919d","","x-ray","0.71073","MoKα","","0.0354","0.0315","","","0.0856","0.0893","","","","","","1.157","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021207","13.3879","0.0004","34.4666","0.0013","31.0242","0.001","90","","90","","90","","14315.7","0.8","173","2","173","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C111 H159 Cl3 Cu3 Li3 N6 O12 -","- C111 H159 Cl3 Cu3 Li3 N6 O12 -","- C444 H636 Cl12 Cu12 Li12 N24 O48 -","4","0.5","","César, Vincent; Barthes, Cécile; Farré, Yoann C; Cuisiat, Stéphane V; Vacher, Bernard Y.; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","Anionic and zwitterionic copper(i) complexes incorporating an anionic N-heterocyclic carbene decorated with a malonate backbone: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7373","7385","10.1039/c3dt32919d","","x-ray","0.71073","MoKα","","0.0533","0.043","","","0.1308","0.1426","","","","","","0.695","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021208","18.8363","0.0003","15.4568","0.0002","20.6527","0.0002","90","","90","","90","","6013.01","0.14","173","2","173","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Cl2 Cu N4 O2 -","- C29 H35 Cl2 Cu N4 O2 -","- C232 H280 Cl16 Cu8 N32 O16 -","8","1","","César, Vincent; Barthes, Cécile; Farré, Yoann C; Cuisiat, Stéphane V; Vacher, Bernard Y.; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","Anionic and zwitterionic copper(i) complexes incorporating an anionic N-heterocyclic carbene decorated with a malonate backbone: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7373","7385","10.1039/c3dt32919d","","","0.71073","MoKα","","0.0651","0.0525","","","0.1425","0.1576","","","","","","1.042","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021209","9.2094","0.0002","20.2646","0.0005","23.6229","0.0006","90","","100.078","0.002","90","","4340.6","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H49 Cl2 Cu N4 O2 -","- C39 H49 Cl2 Cu N4 O2 -","- C156 H196 Cl8 Cu4 N16 O8 -","4","1","","César, Vincent; Barthes, Cécile; Farré, Yoann C; Cuisiat, Stéphane V; Vacher, Bernard Y.; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","Anionic and zwitterionic copper(i) complexes incorporating an anionic N-heterocyclic carbene decorated with a malonate backbone: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7373","7385","10.1039/c3dt32919d","","x-ray","0.71073","MoKα","","0.0537","0.0473","","","0.1288","0.1323","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021210","9.5086","0.0003","32.8087","0.0011","12.2979","0.0003","90","","93.798","0.003","90","","3828.1","0.2","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H43 Cl2 Cu N4 O2 -","- C41 H43 Cl2 Cu N4 O2 -","- C164 H172 Cl8 Cu4 N16 O8 -","4","1","","César, Vincent; Barthes, Cécile; Farré, Yoann C; Cuisiat, Stéphane V; Vacher, Bernard Y.; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","Anionic and zwitterionic copper(i) complexes incorporating an anionic N-heterocyclic carbene decorated with a malonate backbone: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7373","7385","10.1039/c3dt32919d","","x-ray","0.71073","MoKα","","0.0701","0.0469","","","0.1122","0.1191","","","","","","1.058","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021211","10.6769","0.0004","21.3996","0.0008","21.4688","0.0008","90","","97.941","0.002","90","","4858.2","0.3","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H63 Cl2 Cu N4 O2 -","- C51 H63 Cl2 Cu N4 O2 -","- C204 H252 Cl8 Cu4 N16 O8 -","4","1","","César, Vincent; Barthes, Cécile; Farré, Yoann C; Cuisiat, Stéphane V; Vacher, Bernard Y.; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","Anionic and zwitterionic copper(i) complexes incorporating an anionic N-heterocyclic carbene decorated with a malonate backbone: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7373","7385","10.1039/c3dt32919d","","x-ray","0.71073","MoKα","","0.0452","0.041","","","0.1033","0.1072","","","","","","1.04","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021212","14.2368","0.0006","11.1026","0.0005","21.1498","0.0007","90","","89.998","0.003","90","","3343.1","0.2","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 Cu N4 O2 -","- C34 H45 Cu N4 O2 -","- C136 H180 Cu4 N16 O8 -","4","1","","César, Vincent; Barthes, Cécile; Farré, Yoann C; Cuisiat, Stéphane V; Vacher, Bernard Y.; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","Anionic and zwitterionic copper(i) complexes incorporating an anionic N-heterocyclic carbene decorated with a malonate backbone: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7373","7385","10.1039/c3dt32919d","","","0.71073","MoKα","","0.0526","0.0419","","","0.1249","0.1385","","","","","","1.073","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021213","22.1117","0.0007","14.4986","0.0005","11.2188","0.0004","90","","90","","90","","3596.6","0.2","100","2","100","2","","","","","","","synthesis as described","5","P n m a","-P 2ac 2n","62","","","","- C38 H53 Cu N4 O2 -","- C38 H53 Cu N4 O2 -","- C152 H212 Cu4 N16 O8 -","4","0.5","","César, Vincent; Barthes, Cécile; Farré, Yoann C; Cuisiat, Stéphane V; Vacher, Bernard Y.; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","Anionic and zwitterionic copper(i) complexes incorporating an anionic N-heterocyclic carbene decorated with a malonate backbone: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7373","7385","10.1039/c3dt32919d","","x-ray","0.71073","MoKα","","0.0304","0.0295","","","0.0791","0.08","","","","","","1.171","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021214","13.042","0.0004","18.7022","0.0006","16.1826","0.0006","90","","93.791","0.002","90","","3938.5","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H53 Cu N4 O2 -","- C46 H53 Cu N4 O2 -","- C184 H212 Cu4 N16 O8 -","4","1","","César, Vincent; Barthes, Cécile; Farré, Yoann C; Cuisiat, Stéphane V; Vacher, Bernard Y.; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","Anionic and zwitterionic copper(i) complexes incorporating an anionic N-heterocyclic carbene decorated with a malonate backbone: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7373","7385","10.1039/c3dt32919d","","x-ray","0.71073","MoKα","","0.0488","0.0323","","","0.0807","0.0897","","","","","","1.04","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021215","10.788","0.005","20.896","0.005","19.782","0.005","90","","102.379","0.005","90","","4356","3","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H61 Cu N4 O2 -","- C50 H61 Cu N4 O2 -","- C200 H244 Cu4 N16 O8 -","4","1","","César, Vincent; Barthes, Cécile; Farré, Yoann C; Cuisiat, Stéphane V; Vacher, Bernard Y.; Brousses, Rémy; Lugan, Noël; Lavigne, Guy","Anionic and zwitterionic copper(i) complexes incorporating an anionic N-heterocyclic carbene decorated with a malonate backbone: synthesis, structure and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7373","7385","10.1039/c3dt32919d","","x-ray","0.71073","MoKα","","0.0509","0.0419","","","0.1135","0.1203","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021216","12.9546","0.0006","13.738","0.0006","14.3046","0.0007","105.569","0.001","110.542","0.001","100.16","0.001","2190.7","0.18","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C45.67 H30 Cl2 N11.34 O8 Ru -","- C45.66 H29.99 Cl2 N11.33 O8 Ru -","- C91.32 H59.98 Cl4 N22.66 O16 Ru2 -","2","1","","Chen, Xiang; Wu, Jing-Heng; Lai, Ying-Wei; Zhao, Rong; Chao, Hui; Ji, Liang-Nian","Targeting telomeric G-quadruplexes with the ruthenium(ii) complexes [Ru(bpy)2(ptpn)](2+) and [Ru(phen)2(ptpn)](2+).","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4386","4397","10.1039/c3dt32921f","","","0.71073","MoKα","","0.1288","0.0852","","","0.2321","0.3111","","","","","","1.181","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021217","6.469","","20.785","","16.048","","90","","95.39","","90","","2148.24","","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Cl2 N3 Ru -","- C21 H27 Cl2 N3 Ru -","- C84 H108 Cl8 N12 Ru4 -","4","1","","Canseco-Gonzalez, Daniel; Albrecht, Martin","Wingtip substituents tailor the catalytic activity of ruthenium triazolylidene complexes in base-free alcohol oxidation.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7424","7432","10.1039/c3dt32939a","","","0.71073","MoKα","","0.0765","0.0375","","","0.0636","0.0695","","","","","","0.793","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021218","8.3203","0.0009","11.678","0.0013","18.75","0.002","74.802","0.002","89.821","0.002","88.107","0.002","1757.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","glutardiamidoxime","","","- C5 H14 N4 O3 -","- C5 H14 N4 O3 -","- C40 H112 N32 O24 -","8","4","","Tian, Guoxin; Teat, Simon J.; Rao, Linfeng","Thermodynamic studies of U(vi) complexation with glutardiamidoxime for sequestration of uranium from seawater.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5690","5696","10.1039/c3dt32940b","","","0.7749","synchrotron","","0.0407","0.0377","","","0.1034","0.1059","","","","","","1.029","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021219","44.625","0.0002","19.727","0.00015","29.019","0.0003","90","","90","","90","","25545.9","0.3","293","2","293","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C53 H72.5 N6.5 O27.5 Zn5 -","- C31 H18 N O22 Zn5 -","- C496 H288 N16 O352 Zn80 -","16","1","","Wang, Hai-Ning; Yang, Guang-Sheng; Wang, Xin-Long; Su, Zhong-Min","pH-induced different crystalline behaviors in extended metal-organic frameworks based on the same reactants.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6294","6297","10.1039/c3dt32958e","","","0.71073","MoKα","","0.0947","0.0612","","","0.1629","0.1755","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021220","9.6875","0.0007","10.7398","0.0008","15.2491","0.0011","100.453","0.001","97.686","0.001","91.245","0.001","1544.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H35 Fe N9 O5 -","- C29 H35 Fe N9 O5 -","- C58 H70 Fe2 N18 O10 -","2","1","","Fuchs, M A; Zevaco, T A; Ember, E; Walter, O; Held, I; Dinjus, E; Döring, M","Synthesis of cyclic carbonates from epoxides and carbon dioxide catalyzed by an easy-to-handle ionic iron(III) complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5322","5329","10.1039/c3dt32961e","","","0.71073","MoKα","","0.0501","0.0406","","","0.1094","0.1159","","","","","","0.991","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021221","8.8702","0.0002","9.2216","0.0003","13.7007","0.0003","90","","107.309","0.002","90","","1069.93","0.05","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","catena-Poly-(bis(mu2-hexamathylenetetraamine)-tetra(mu2- thicyanato)-di(methanol)dicadium(ii))","catena-Poly-(bis(μ2-hexamathylenetetraamine)- tetra(μ2-thicyanato)-di(methanol)dicadium(II))","","- C6 H10 Cd N4 O S2 -","- C6 H10 Cd N4 O S2 -","- C24 H40 Cd4 N16 O4 S8 -","4","1","","Barszcz, Barbara; Masternak, Joanna; Sawka-Dobrowolska, Wanda","Assembling novel Cd(ii) complexes with multidentate nitrogen donor ligands obtained in situ from the system: zerovalent copper, cadmium oxide, 1-hydroxymethyl-3,5-dimethylpyrazole and ammonium thiocyanate.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","5960","5963","10.1039/c3dt32987a","","","0.71073","MoKα","","0.0192","0.016","","","0.0437","0.0446","","","","","","0.959","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021222","8.274","0.002","8.407","0.002","17.567","0.003","79.22","0.02","89.42","0.02","84.37","0.01","1194.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","((tris(3,5-dimethylpyrazol-1-ylmethyl)amine)- bis(thiocyanato)cadmium(ii))","[(tris(3,5-dimethylpyrazol-1-ylmethyl)amine)-bis(thiocyanato)cadmium(II)]","","- C20 H26 Cd N9 S2 -","- C20 H26 Cd N9 S2 -","- C40 H52 Cd2 N18 S4 -","2","1","","Barszcz, Barbara; Masternak, Joanna; Sawka-Dobrowolska, Wanda","Assembling novel Cd(ii) complexes with multidentate nitrogen donor ligands obtained in situ from the system: zerovalent copper, cadmium oxide, 1-hydroxymethyl-3,5-dimethylpyrazole and ammonium thiocyanate.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","5960","5963","10.1039/c3dt32987a","","","0.71073","MoKα","","0.0533","0.0446","","","0.1061","0.1","","","","","","0.996","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021223","20.7675","0.001","20.7675","0.001","43.17","0.004","90","","90","","120","","16124.3","1.9","173","2","173","2","","","","","","","","9","R -3 m :H","-R 3 2""","166","","","","- C42 H186 Cu6 K11 N6 Na O208 P4 W36 -","- C42 Cu6 K11.04 N6 Na O208 P4 W36 -","- C126 Cu18 K33.12 N18 Na3 O624 P12 W108 -","3","0.0833333","","Xu, Yanqing; Gao, Yuanzhe; Wei, Wei; Wang, Zhiqin; Li, Shan; Hu, Changwen","An unprecedented polyoxometalate-based hybrid solid constructed from a neutral metal-organic macrocycle and Dawson polyoxotungstate anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5228","5231","10.1039/c3dt32991g","","","0.71073","MoKα","","0.1057","0.071","","","0.1811","0.2347","","","","","","1.147","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021224","33.1757","0.0009","33.1757","0.0009","24.6314","0.0013","90","","90","","120","","23477.9","1.5","296","2","296","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C84 H102 Cu12 Mo48 N12 O307 P4 -","- C84 H102 Cu12 Mo48 N12 O307 P4 -","- C252 H306 Cu36 Mo144 N36 O921 P12 -","3","0.166667","","Xu, Yanqing; Gao, Yuanzhe; Wei, Wei; Wang, Zhiqin; Li, Shan; Hu, Changwen","An unprecedented polyoxometalate-based hybrid solid constructed from a neutral metal-organic macrocycle and Dawson polyoxotungstate anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5228","5231","10.1039/c3dt32991g","","","0.71073","MoKα","","0.0809","0.0736","","","0.2079","0.2155","","","","","","1.071","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021225","12.415","0.0009","9.508","0.002","14.053","0.0017","90","","90","","90","","1658.8","0.4","198","","198","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H14 Br2 N4 Pd -","- C14 H14 Br2 N4 Pd -","- C56 H56 Br8 N16 Pd4 -","4","1","","Munz, Dominik; Poethig, Alexander; Tronnier, Alexander; Strassner, Thomas","ortho-Phenylene bridged palladium bis-N-heterocyclic carbene complexes: synthesis, structure and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7297","7304","10.1039/c3dt33006k","","x-ray","0.71073","MoKα","","0.027","0.0205","","","0.036","0.0375","","","","","","1.06","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021226","9.731","0.0012","10.752","0.002","13.947","0.0007","96.085","0.009","103.753","0.006","98.478","0.015","1386.7","0.3","198","","198","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Br2 N6 Pd -","- C26 H24 Br2 N6 Pd -","- C52 H48 Br4 N12 Pd2 -","2","1","","Munz, Dominik; Poethig, Alexander; Tronnier, Alexander; Strassner, Thomas","ortho-Phenylene bridged palladium bis-N-heterocyclic carbene complexes: synthesis, structure and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7297","7304","10.1039/c3dt33006k","","x-ray","0.71073","MoKα","","0.0527","0.0308","","","0.0536","0.0576","","","","","","1.046","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021227","21.297","0.002","18.653","0.005","15.986","0.004","90","","90","","90","","6350","2","198","","198","","","","","","","","see text","6","P b c n","-P 2n 2ab","60","","","","- C27.5 H24 Br4 Cl3 N4 Pd -","- C27.5 H24 Br4 Cl3 N4 Pd -","- C220 H192 Br32 Cl24 N32 Pd8 -","8","1","","Munz, Dominik; Poethig, Alexander; Tronnier, Alexander; Strassner, Thomas","ortho-Phenylene bridged palladium bis-N-heterocyclic carbene complexes: synthesis, structure and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7297","7304","10.1039/c3dt33006k","","x-ray","0.71073","MoKα","","0.0573","0.0321","","","0.0477","0.0537","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021228","19.817","0.003","23.206","0.003","19.702","0.003","90","","93.0735","0.0016","90","","9047","2","123","","123","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C85 H87 Co2 F18 N12 O10 P3 -","- C85 H87 Co2 F18 N12 O10 P3 -","- C340 H348 Co8 F72 N48 O40 P12 -","4","1","","Kon, Hiroki; Nagata, Toshi","New ternary ligands consisting of an N4 bridging ligand and two terpyridines, and their Co(ii) and Ni(ii) dinuclear complexes. Structure, redox properties, and reaction with acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5697","5705","10.1039/c3dt33011g","","","0.71075","MoKα","","","0.0622","","","","0.1837","","","","","","1.044","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021229","17.106","0.003","27.459","0.004","21.567","0.003","90","","101.727","0.002","90","","9919","3","123","","123","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C104 H100 Cl F18 N12 Ni2 O6 P3 -","- C104 H100 Cl F18 N12 Ni2 O6 P3 -","- C416 H400 Cl4 F72 N48 Ni8 O24 P12 -","4","0.5","","Kon, Hiroki; Nagata, Toshi","New ternary ligands consisting of an N4 bridging ligand and two terpyridines, and their Co(ii) and Ni(ii) dinuclear complexes. Structure, redox properties, and reaction with acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5697","5705","10.1039/c3dt33011g","","","0.71075","MoKα","","0.0625","0.05","","","0.1177","0.1273","","","","","","1.079","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021230","22.627","0.002","28.299","0.003","46.401","0.005","90","","90","","90","","29712","5","296","2","296","2","","","","","","","","5","I m m 2","I 2 -2","44","","","","- C40 Na35 O339 P40 U40 -","- C40 Na22.8 O349.6 P40 U40 -","- C80 Na45.6 O699.2 P80 U80 -","2","0.25","","Liao, Zuolei; Ling, Jie; Reinke, Laura R.; Szymanowski, Jennifer E. S.; Sigmon, Ginger E.; Burns, Peter C.","Cage clusters built from uranyl ions bridged through peroxo and 1-hydroxyethane-1,1-diphosphonic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6793","6802","10.1039/c3dt33025g","","","0.71073","MoKα","","0.0936","0.0614","","","0.1917","0.2144","","","","","","1.018","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021231","34.056","0.003","34.056","0.003","40.022","0.004","90","","90","","90","","46418","7","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C64 K16 Na28 O668 P64 U64 -","- C64 K16 Na26.4 O590 P64 U64 -","- C128 K32 Na52.8 O1180 P128 U128 -","2","0.125","","Liao, Zuolei; Ling, Jie; Reinke, Laura R.; Szymanowski, Jennifer E. S.; Sigmon, Ginger E.; Burns, Peter C.","Cage clusters built from uranyl ions bridged through peroxo and 1-hydroxyethane-1,1-diphosphonic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6793","6802","10.1039/c3dt33025g","","","0.71073","MoKα","","0.118","0.0877","","","0.2318","0.2754","","","","","","1.099","","","","has coordinates","291143","2024-04-09","08:48:22",""
"7021232","21.6463","0.0018","26.683","0.002","38.415","0.003","90","","90","","90","","22188","3","100","2","100","2","","","","","","","","5","I m m m","-I 2 2","71","","","","- C16 K13 O166 P16 U16 -","- C16 K13.83 O165 P16 U16 -","- C64 K55.32 O660 P64 U64 -","4","0.25","","Liao, Zuolei; Ling, Jie; Reinke, Laura R.; Szymanowski, Jennifer E. S.; Sigmon, Ginger E.; Burns, Peter C.","Cage clusters built from uranyl ions bridged through peroxo and 1-hydroxyethane-1,1-diphosphonic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6793","6802","10.1039/c3dt33025g","","","0.71073","MoKα","","0.0628","0.0499","","","0.1497","0.1611","","","","","","1.148","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021233","17.9229","0.0014","17.9432","0.0014","19.3913","0.0016","97.024","0.001","114.874","0.001","107.011","0.001","5189.3","0.7","100","2","100","2","","","","","","","","5","P 1","P 1","1","U16L8P4","","","- C16 K10 O152 P20 U16 -","- C16 K10 O152 P20 U16 -","- C16 K10 O152 P20 U16 -","1","1","","Liao, Zuolei; Ling, Jie; Reinke, Laura R.; Szymanowski, Jennifer E. S.; Sigmon, Ginger E.; Burns, Peter C.","Cage clusters built from uranyl ions bridged through peroxo and 1-hydroxyethane-1,1-diphosphonic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6793","6802","10.1039/c3dt33025g","","","0.71073","MoKα","","0.0638","0.0491","","","0.1399","0.1517","","","","","","1.12","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021234","31.955","0.004","20.421","0.003","20.421","","90","","90","","90","","13326","3","100","2","100","2","","","","","","","","5","P m n a","-P 2ac 2","53","u20p","","","- C20 K18 O179 P20 U20 -","- C20 K18 O179 P20 U20 -","- C40 K36 O358 P40 U40 -","2","0.25","","Liao, Zuolei; Ling, Jie; Reinke, Laura R.; Szymanowski, Jennifer E. S.; Sigmon, Ginger E.; Burns, Peter C.","Cage clusters built from uranyl ions bridged through peroxo and 1-hydroxyethane-1,1-diphosphonic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6793","6802","10.1039/c3dt33025g","","","0.71073","MoKα","","0.132","0.0775","","","0.2114","0.243","","","","","","1.046","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021235","24.4363","0.0006","27.5857","0.0007","24.4595","0.0006","90","","95.436","0.001","90","","16413.8","0.7","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C24 Li12 O241 P24 U24 -","- C24 Li11.4 O225.7 P24 U24 -","- C48 Li22.8 O451.4 P48 U48 -","2","0.5","","Liao, Zuolei; Ling, Jie; Reinke, Laura R.; Szymanowski, Jennifer E. S.; Sigmon, Ginger E.; Burns, Peter C.","Cage clusters built from uranyl ions bridged through peroxo and 1-hydroxyethane-1,1-diphosphonic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6793","6802","10.1039/c3dt33025g","","","0.71073","MoKα","","0.1502","0.0944","","","0.2728","0.3162","","","","","","1.102","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021236","16.09","0.005","16.09","0.005","29.132","0.005","90","0.005","90","0.005","120","0.005","6532","3","130","0.1","130","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H108 Ag8 B Cl Cu6 F4 -","- C72 H108 Ag8 Cl Cu6 -","- C216 H324 Ag24 Cl3 Cu18 -","3","0.166667","","Connell, Timothy U.; Sandanayake, Saman; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J; Donnelly, Paul S.; Williams, Spencer J.","Halide-ion-templated Ag8Cu6 rhombic dodecahedrons: synthesis, structure and reactivity of [Ag8Cu6(C[triple bond, length as m-dash]CtBu)12X]BF4 (X = Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4903","4907","10.1039/c3dt33027c","","","0.7107","MoKα","","0.0456","0.0405","","","0.1098","0.1142","","","","","","1.029","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021237","16.0762","0.0006","16.0762","0.0006","29.2165","0.0017","90","","90","","120","","6539.2","0.5","130","0.1","130","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C72 H108 Ag8 B Br Cu6 F4 -","- C72 H108 Ag8 Br Cu6 -","- C216 H324 Ag24 Br3 Cu18 -","3","0.166667","","Connell, Timothy U.; Sandanayake, Saman; Khairallah, George N.; White, Jonathan M.; O'Hair, Richard A J; Donnelly, Paul S.; Williams, Spencer J.","Halide-ion-templated Ag8Cu6 rhombic dodecahedrons: synthesis, structure and reactivity of [Ag8Cu6(C[triple bond, length as m-dash]CtBu)12X]BF4 (X = Cl, Br).","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4903","4907","10.1039/c3dt33027c","","","0.7107","MoKα","","0.0626","0.0473","","","0.147","0.158","","","","","","1.144","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021238","13.8211","0.0018","14.6473","0.0009","11.4189","0.001","90","","111.981","0.013","90","","2143.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 B Fe N2 -","- C23 H29 B Fe N2 -","- C92 H116 B4 Fe4 N8 -","4","1","","Jadhav, Thaksen; Maragani, Ramesh; Misra, Rajneesh; Sreeramulu, V.; Rao, D. Narayana; Mobin, Shaikh M.","Design and synthesis of donor-acceptor pyrazabole derivatives for multiphoton absorption.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4340","4342","10.1039/c3dt33065f","","","0.71073","MoKα","","0.1102","0.0987","","","0.2878","0.2992","","","","","","1.107","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021239","6.6344","0.0012","7.794","0.003","10.419","0.002","90","","99.716","0.005","90","","531","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C8 H6 Cd Cl N3 O3 S -","- C8 H6 Cd Cl N3 O3 S -","- C16 H12 Cd2 Cl2 N6 O6 S2 -","2","1","","Gómez, Verónica; Lillo, Vanesa; Escudero-Adán, Eduardo C; Martin, Eddy; Galán-Mascarós, José Ramón","Aqueous synthesis of sulfonate-functionalized 1,2,4-triazole ligands and their 2D Cd(2+) coordination networks: crystal structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6374","6380","10.1039/c3dt33066d","","","0.71073","MoKα","","0.0226","0.021","","","0.0572","0.0648","","","","","","1.16","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021240","6.1479","0.0003","7.9347","0.0004","8.5948","0.0005","94.447","0.001","102.64","0.001","91.346","0.001","407.52","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H6 Cd Cl N3 O3 S -","- C4 H6 Cd Cl N3 O3 S -","- C8 H12 Cd2 Cl2 N6 O6 S2 -","2","1","","Gómez, Verónica; Lillo, Vanesa; Escudero-Adán, Eduardo C; Martin, Eddy; Galán-Mascarós, José Ramón","Aqueous synthesis of sulfonate-functionalized 1,2,4-triazole ligands and their 2D Cd(2+) coordination networks: crystal structure and photoluminescent properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6374","6380","10.1039/c3dt33066d","","","0.71073","MoKα","","0.0167","0.0163","","","0.0511","0.0514","","","","","","1.132","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021241","15.343","0.002","5.3773","0.0006","24.357","0.003","90","","100.997","0.005","90","","1972.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(3Z-5E)-4-hydroxy-6-(3-methoxyphenyl)acrolyl)hexa3,5-dienoic acid","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Ferrari, Erika; Asti, Mattia; Benassi, Rois; Pignedoli, Francesca; Saladini, Monica","Metal binding ability of curcumin derivatives: a theoretical vs. experimental approach.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5304","5313","10.1039/c3dt33072a","","","0.71073","MoKα","","0.3456","0.0646","","","0.1138","0.1814","","","","","","0.804","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021242","11.6442","0.0002","11.9248","0.0002","13.3359","0.0002","92.188","0.001","104.06","0.001","115.847","0.001","1594.41","0.05","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H32 B2 Cl2 Fe N6 O6 S2 -","- C27 H32 B2 Cl2 Fe N6 O6 S2 -","- C54 H64 B4 Cl4 Fe2 N12 O12 S4 -","2","1","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Mokhir, Andriy; Bubnov, Yurii N.; Voloshin, Yan Z.","Iron vs. cobalt clathrochelate electrocatalysts of HER: the first example on a cage iron complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4373","4376","10.1039/c3dt33073g","","","1.54178","CuKα","","0.0307","0.0289","","","0.0838","0.0856","","","","","","0.999","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021243","11.1528","0.0008","18.4231","0.0014","15.9011","0.0013","90","","91.971","0.002","90","","3265.3","0.4","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 B2 Cl3 Co N6 O6 S2 -","- C27 H31 B2 Cl3 Co N6 O6 S2 -","- C108 H124 B8 Cl12 Co4 N24 O24 S8 -","4","1","","Dolganov, Alexander V.; Belov, Alexander S.; Novikov, Valentin V.; Vologzhanina, Anna V.; Mokhir, Andriy; Bubnov, Yurii N.; Voloshin, Yan Z.","Iron vs. cobalt clathrochelate electrocatalysts of HER: the first example on a cage iron complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4373","4376","10.1039/c3dt33073g","","","0.71073","MoKα","","0.0772","0.0441","","","0.0806","0.0926","","","","","","1.006","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021244","16.1878","0.0019","18.288","0.002","18.646","0.002","90","","90","","90","","5520","1.1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H36 Co F7 P4 -","- C22 H36 Co F7 P4 -","- C176 H288 Co8 F56 P32 -","8","1","","Li, Junye; Zheng, Tingting; Sun, Hongjian; Xu, Wengang; Li, Xiaoyan","Selective C-F/C-H bond activation of fluoroarenes by cobalt complex supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5740","5748","10.1039/c3dt33074e","","","0.71073","MoKα","","0.0614","0.0384","","","0.0909","0.1047","","","","","","1.009","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021245","13.243","0.003","11.838","0.002","13.762","0.003","90","","92.98","0.03","90","","2154.6","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H27 Co F5 P3 -","- C15 H27 Co F5 P3 -","- C60 H108 Co4 F20 P12 -","4","1","","Li, Junye; Zheng, Tingting; Sun, Hongjian; Xu, Wengang; Li, Xiaoyan","Selective C-F/C-H bond activation of fluoroarenes by cobalt complex supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5740","5748","10.1039/c3dt33074e","","","0.71073","MoKα","","0.0492","0.037","","","0.0942","0.1001","","","","","","1.044","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021246","8.581","0.001","16.696","0.0013","14.853","0.002","90","","99.75","0.012","90","","2097.2","0.4","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H27 Co F4 N P3 -","- C14 H27 Co F4 N P3 -","- C56 H108 Co4 F16 N4 P12 -","4","1","","Li, Junye; Zheng, Tingting; Sun, Hongjian; Xu, Wengang; Li, Xiaoyan","Selective C-F/C-H bond activation of fluoroarenes by cobalt complex supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5740","5748","10.1039/c3dt33074e","","","0.71073","MoKα","","0.0591","0.0532","","","0.1439","0.1485","","","","","","1.077","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021247","12.367","0.003","11.76","0.002","12.486","0.003","90","","93.84","0.03","90","","1811.8","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Co F4 N O2 P2 -","- C13 H18 Co F4 N O2 P2 -","- C52 H72 Co4 F16 N4 O8 P8 -","4","1","","Li, Junye; Zheng, Tingting; Sun, Hongjian; Xu, Wengang; Li, Xiaoyan","Selective C-F/C-H bond activation of fluoroarenes by cobalt complex supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5740","5748","10.1039/c3dt33074e","","","0.71073","MoKα","","0.0243","0.0225","","","0.06","0.0607","","","","","","1.065","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021248","12.4005","0.0011","12.1015","0.001","13.0277","0.0011","90","","91.942","0.002","90","","1953.9","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Co F5 O2 P2 -","- C14 H18 Co F5 O2 P2 -","- C56 H72 Co4 F20 O8 P8 -","4","1","","Li, Junye; Zheng, Tingting; Sun, Hongjian; Xu, Wengang; Li, Xiaoyan","Selective C-F/C-H bond activation of fluoroarenes by cobalt complex supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5740","5748","10.1039/c3dt33074e","","","0.71073","MoKα","","0.0783","0.0405","","","0.096","0.1111","","","","","","1.013","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021249","12.409","0.01","13.286","0.011","11.917","0.01","90","","90","","90","","1965","3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H19 Co F5 O2 P2 -","- C14 H19 Co F5 O2 P2 -","- C56 H76 Co4 F20 O8 P8 -","4","0.5","","Li, Junye; Zheng, Tingting; Sun, Hongjian; Xu, Wengang; Li, Xiaoyan","Selective C-F/C-H bond activation of fluoroarenes by cobalt complex supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5740","5748","10.1039/c3dt33074e","","","0.71073","MoKα","","0.1076","0.0539","","","0.1259","0.1639","","","","","","1.085","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021250","15.067","0.004","9.121","0.002","32.289","0.008","90","","94.067","0.004","90","","4426.2","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H27 Cl Co F5 P3 -","- C15 H27 Cl Co F5 P3 -","- C120 H216 Cl8 Co8 F40 P24 -","8","1","","Li, Junye; Zheng, Tingting; Sun, Hongjian; Xu, Wengang; Li, Xiaoyan","Selective C-F/C-H bond activation of fluoroarenes by cobalt complex supported with phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5740","5748","10.1039/c3dt33074e","","","0.71073","MoKα","","0.0554","0.0424","","","0.1042","0.1204","","","","","","1.018","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021251","14.4921","0.0012","17.1266","0.0015","17.9121","0.0018","97.906","0.001","92.909","0.001","114.878","0.002","3965.6","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H62 B30 Cu6 N8 O0 S6 -","- C54 H62 B30 Cu6 N8 S6 -","- C108 H124 B60 Cu12 N16 S12 -","2","1","","Han, Zhong; Jiang, Jin; Lu, Jing; Li, Dacheng; Cheng, Shuang; Dou, Jianmin","A novel polynuclear Cu(i)-sulfur cluster with 1,2-dithiolate-o-carborane ligands as a potential in vitro antitumour agent and its DNA binding properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4777","4780","10.1039/c3dt33076a","","","0.71073","MoKα","","0.1167","0.0661","","","0.1741","0.1995","","","","","","1.007","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021252","18.042","0.004","18.473","0.004","37.762","0.008","90","","92.86","0.03","90","","12570","5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C108 H87 Cl Fe3 N18 O46.5 V16 -","- C108 H72 Cl Fe3 N18 O46.5 V16 -","- C432 H288 Cl4 Fe12 N72 O186 V64 -","4","1","","Xiao, Li-Na; Xu, Jia-Ning; Hu, Yang-Yang; Wang, La-Mei; Wang, Yan; Ding, Hong; Cui, Xiao-Bing; Xu, Ji-Qing","Synthesis and characterizations of the first [V16O39Cl]6- (V16O39) polyanion.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5247","5251","10.1039/c3dt33081h","","","0.71073","MoKα","","0.2085","0.082","","","0.2066","0.2748","","","","","","0.995","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021253","9.7227","0.001","10.3859","0.0011","18.5263","0.0019","84.913","0.002","80.645","0.002","63.569","0.002","1652.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Fe2 N O4 P2 S2 -","- C34 H33 Fe2 N O4 P2 S2 -","- C68 H66 Fe4 N2 O8 P4 S4 -","2","1","","Ghosh, Shishir; Hogarth, Graeme; Hollingsworth, Nathan; Holt, Katherine B.; Richards, Idris; Richmond, Michael G.; Sanchez, Ben E.; Unwin, David","Models of the iron-only hydrogenase: a comparison of chelate and bridge isomers of Fe2(CO)4{Ph2PN(R)PPh2}(μ-pdt) as proton-reduction catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6775","6792","10.1039/c3dt50147g","","","0.71073","MoKα","","0.0453","0.0421","","","0.1095","0.1122","","","","","","1.03","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021255","9.8036","0.0006","17.9672","0.0012","18.4965","0.0012","90","","100.919","0.001","90","","3199","0.4","423","2","423","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 Fe2 N O4 P2 S2 -","- C34 H31 Fe2 N O4 P2 S2 -","- C136 H124 Fe8 N4 O16 P8 S8 -","4","1","","Ghosh, Shishir; Hogarth, Graeme; Hollingsworth, Nathan; Holt, Katherine B.; Richards, Idris; Richmond, Michael G.; Sanchez, Ben E.; Unwin, David","Models of the iron-only hydrogenase: a comparison of chelate and bridge isomers of Fe2(CO)4{Ph2PN(R)PPh2}(μ-pdt) as proton-reduction catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6775","6792","10.1039/c3dt50147g","","","0.71073","MoKα","","0.0401","0.033","","","0.0813","0.0843","","","","","","1.057","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021257","21.7006","0.0012","15.385","0.0009","20.0483","0.0011","90","","90","","90","","6693.4","0.7","150","2","150","2","","","","","","","","8","P b a m","-P 2 2ab","55","","","","- C127 H80 Cl2 Fe8 N4 O22 P8 S8 -","- C127 H80 Cl2 Fe8 N4 O22 P8 S8 -","- C254 H160 Cl4 Fe16 N8 O44 P16 S16 -","2","0.25","","Ghosh, Shishir; Hogarth, Graeme; Hollingsworth, Nathan; Holt, Katherine B.; Richards, Idris; Richmond, Michael G.; Sanchez, Ben E.; Unwin, David","Models of the iron-only hydrogenase: a comparison of chelate and bridge isomers of Fe2(CO)4{Ph2PN(R)PPh2}(μ-pdt) as proton-reduction catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6775","6792","10.1039/c3dt50147g","","","0.71073","MoKα","","0.0718","0.0572","","","0.1523","0.1621","","","","","","1.047","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021258","8.8977","0.0005","10.2309","0.0006","19.2787","0.0011","89.014","0.001","79.557","0.001","75.428","0.001","1669.64","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H31 Fe2 N O4 P2 S2 -","- C34 H31 Fe2 N O4 P2 S2 -","- C68 H62 Fe4 N2 O8 P4 S4 -","2","1","","Ghosh, Shishir; Hogarth, Graeme; Hollingsworth, Nathan; Holt, Katherine B.; Richards, Idris; Richmond, Michael G.; Sanchez, Ben E.; Unwin, David","Models of the iron-only hydrogenase: a comparison of chelate and bridge isomers of Fe2(CO)4{Ph2PN(R)PPh2}(μ-pdt) as proton-reduction catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6775","6792","10.1039/c3dt50147g","","","0.71073","MoKα","","0.0284","0.0263","","","0.0689","0.0701","","","","","","1.029","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021259","10.4283","0.0011","11.7343","0.0013","14.6476","0.0016","84.906","0.002","73.72","0.002","74.371","0.002","1656.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Fe2 N O4 P2 S2 -","- C34 H33 Fe2 N O4 P2 S2 -","- C68 H66 Fe4 N2 O8 P4 S4 -","2","1","","Ghosh, Shishir; Hogarth, Graeme; Hollingsworth, Nathan; Holt, Katherine B.; Richards, Idris; Richmond, Michael G.; Sanchez, Ben E.; Unwin, David","Models of the iron-only hydrogenase: a comparison of chelate and bridge isomers of Fe2(CO)4{Ph2PN(R)PPh2}(μ-pdt) as proton-reduction catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6775","6792","10.1039/c3dt50147g","","","0.71073","MoKα","","0.0466","0.0398","","","0.1046","0.1091","","","","","","1.035","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021260","9.321","0.003","31.564","0.009","13.987","0.004","90","","100.751","0.005","90","","4043","2","150","2","150","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 B Cl4 F4 Fe2 N O4 P2 S2 -","- C36 H36 B Cl4 F4 Fe2 N O4 P2 S2 -","- C144 H144 B4 Cl16 F16 Fe8 N4 O16 P8 S8 -","4","1","","Ghosh, Shishir; Hogarth, Graeme; Hollingsworth, Nathan; Holt, Katherine B.; Richards, Idris; Richmond, Michael G.; Sanchez, Ben E.; Unwin, David","Models of the iron-only hydrogenase: a comparison of chelate and bridge isomers of Fe2(CO)4{Ph2PN(R)PPh2}(μ-pdt) as proton-reduction catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6775","6792","10.1039/c3dt50147g","","","0.71073","MoKα","","0.1164","0.0536","","","0.0939","0.1019","","","","","","0.795","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021261","14.9561","0.0015","13.1472","0.0014","16.19","0.002","90","","105.619","0.003","90","","3065.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Cl2 Mn N3 O2 -","- C27 H35 Cl2 Mn N3 O -","- C108 H140 Cl8 Mn4 N12 O4 -","4","1","","Milaeva, Elena R.; Shpakovsky, Dmitry B.; Gracheva, Yulia A.; Orlova, Sophia I.; Maduar, Viktoryia V.; Tarasevich, Boris N.; Meleshonkova, Natalia N.; Dubova, Ludmila G.; Shevtsova, Elena F.","Metal complexes with functionalised 2,2'-dipicolylamine ligand containing an antioxidant 2,6-di-tert-butylphenol moiety: synthesis and biological studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6817","6828","10.1039/c3dt50160d","","","0.71073","MoKα","","0.0391","0.0322","","","0.0833","0.086","","","","","","1.054","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021262","14.579","0.003","13.032","0.003","16.021","0.003","90","","106.13","0.03","90","","2924.1","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Cl2 N3 O2 Zn -","- C27 H35 Cl2 N3 O Zn -","- C108 H140 Cl8 N12 O4 Zn4 -","4","1","","Milaeva, Elena R.; Shpakovsky, Dmitry B.; Gracheva, Yulia A.; Orlova, Sophia I.; Maduar, Viktoryia V.; Tarasevich, Boris N.; Meleshonkova, Natalia N.; Dubova, Ludmila G.; Shevtsova, Elena F.","Metal complexes with functionalised 2,2'-dipicolylamine ligand containing an antioxidant 2,6-di-tert-butylphenol moiety: synthesis and biological studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6817","6828","10.1039/c3dt50160d","","","0.71073","MoKα","","0.0398","0.0299","","","0.0747","0.0777","","","","","","0.964","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021263","28.1552","0.0015","25.0616","0.0015","16.5885","0.0009","90","","110.493","0.005","90","","10964.3","1.1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C94 H88 B6 Cd3 F24 N20 O8 -","- C94 H88 B6 Cd3 F24 N20 O8 -","- C376 H352 B24 Cd12 F96 N80 O32 -","4","0.5","","Stephenson, Andrew; Sykes, Daniel; Ward, Michael D.","Cu12 and Cd16 coordination cages and their Cu3 and Cd3 subcomponents, and the role of inter-ligand π-stacking in stabilising cage complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6756","6767","10.1039/c3dt50161b","","","0.71073","MoKα","","0.128","0.0916","","","0.2609","0.2873","","","","","","1.006","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021264","34.45","0.004","36.508","0.004","44.278","0.005","75.08","0.008","73.819","0.009","64.522","0.009","47669","10","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C694 H561 B32 Cd16 F128 N155 -","- C694 H561 B22 Cd16 F88 N155 -","- C1388 H1122 B44 Cd32 F176 N310 -","2","1","","Stephenson, Andrew; Sykes, Daniel; Ward, Michael D.","Cu12 and Cd16 coordination cages and their Cu3 and Cd3 subcomponents, and the role of inter-ligand π-stacking in stabilising cage complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6756","6767","10.1039/c3dt50161b","","","0.71073","MoKα","","0.2116","0.1211","","","0.3272","0.3744","","","","","","1.055","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021265","33.9274","0.001","19.5014","0.0005","33.3186","0.001","90","","94.534","0.002","90","","21975.7","1.1","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C184 H156 B12 Cu6 F48 N44 -","- C184 H156 B9 Cu6 F36 N44 -","- C736 H624 B36 Cu24 F144 N176 -","4","1","","Stephenson, Andrew; Sykes, Daniel; Ward, Michael D.","Cu12 and Cd16 coordination cages and their Cu3 and Cd3 subcomponents, and the role of inter-ligand π-stacking in stabilising cage complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6756","6767","10.1039/c3dt50161b","","","0.71073","MoKα","","0.1444","0.0963","","","0.2433","0.268","","","","","","1.01","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021266","29.779","0.004","38.677","0.004","45.44","0.005","90","","97.798","0.002","90","","51852","10","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C420 H334 Cl24 Cu12 N90 O98 -","- C420 H330 Cl17 Cu12 N90 O70 -","- C1680 H1320 Cl68 Cu48 N360 O280 -","4","1","","Stephenson, Andrew; Sykes, Daniel; Ward, Michael D.","Cu12 and Cd16 coordination cages and their Cu3 and Cd3 subcomponents, and the role of inter-ligand π-stacking in stabilising cage complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6756","6767","10.1039/c3dt50161b","","","0.71073","MoKα","","0.2752","0.1503","","","0.3734","0.4215","","","","","","1.085","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021267","8.2852","0.0008","11.1495","0.0018","27.839","0.003","90","","95.24","0.011","90","","2560.9","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N2 O6 S2 -","- C26 H28 N2 O6 S2 -","- C104 H112 N8 O24 S8 -","4","1","","Milek, Magdalena; Witt, Alexander; Streb, Carsten; Heinemann, Frank W; Khusniyarov, Marat M","Tetraanionic N2O2-coordinating ligands as potential building blocks for supramolecular magnetic networks.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5237","5241","10.1039/c3dt50177a","","","0.71073","MoKα","","0.0795","0.0535","","","0.1316","0.1453","","","","","","1.017","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021268","21.123","0.004","13.088","0.003","22.6","0.005","90","","98.4","0.03","90","","6181","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H98 N4 Ni O5 S2 -","- C64 H91.75 N4 Ni O5 S2 -","- C256 H367 N16 Ni4 O20 S8 -","4","1","","Milek, Magdalena; Witt, Alexander; Streb, Carsten; Heinemann, Frank W; Khusniyarov, Marat M","Tetraanionic N2O2-coordinating ligands as potential building blocks for supramolecular magnetic networks.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5237","5241","10.1039/c3dt50177a","","","0.71073","MoKα","","0.0895","0.0684","","","0.1895","0.2088","","","","","","1.117","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021269","9.992","0.002","11.907","0.003","14.865","0.003","74.563","0.004","75.616","0.004","67.825","0.004","1556.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Cl3 N2 O4 S2 -","- C33 H29 Cl3 N2 O4 S2 -","- C66 H58 Cl6 N4 O8 S4 -","2","1","","Milek, Magdalena; Witt, Alexander; Streb, Carsten; Heinemann, Frank W; Khusniyarov, Marat M","Tetraanionic N2O2-coordinating ligands as potential building blocks for supramolecular magnetic networks.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5237","5241","10.1039/c3dt50177a","","","0.71073","MoKα","","0.0739","0.046","","","0.1025","0.1126","","","","","","1.025","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7021270","12.6821","0.0002","29.3828","0.0004","15.8815","0.0002","90","","108.833","0.001","90","","5601.18","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H92 N4 Ni O8 S2 -","- C54 H88 N4 Ni O8 S2 -","- C216 H352 N16 Ni4 O32 S8 -","4","1","","Milek, Magdalena; Witt, Alexander; Streb, Carsten; Heinemann, Frank W; Khusniyarov, Marat M","Tetraanionic N2O2-coordinating ligands as potential building blocks for supramolecular magnetic networks.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5237","5241","10.1039/c3dt50177a","","","0.71073","MoKα","","0.0812","0.0518","","","0.125","0.1443","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021271","20.546","0.005","18.782","0.005","13.957","0.005","90","","100.677","0.005","90","","5293","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 I N5 O8 -","- C28 H20 I N5 O8 -","- C224 H160 I8 N40 O64 -","8","1","","Meng, Xing; Song, Xue-Zhi; Song, Shu-Yan; Su, Sheng-Qun; Zhu, Min; Hao, Zhao-Min; Zhao, Shu-Na; Zhang, Hong-Jie","Supramolecular isomerism, single-crystal to single-crystal transformation induced by release of in situ generated I2 between two supramolecular frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5619","5622","10.1039/c3dt50183c","","","0.71069","MoKα","","0.044","0.0337","","","0.0803","0.0849","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021272","7.272","0.005","12.781","0.005","18.105","0.005","78.165","0.005","83.855","0.005","75.892","0.005","1594.4","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 I3 N5 O10 -","- C28 H20 I3 N5 O10 -","- C56 H40 I6 N10 O20 -","2","1","","Meng, Xing; Song, Xue-Zhi; Song, Shu-Yan; Su, Sheng-Qun; Zhu, Min; Hao, Zhao-Min; Zhao, Shu-Na; Zhang, Hong-Jie","Supramolecular isomerism, single-crystal to single-crystal transformation induced by release of in situ generated I2 between two supramolecular frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5619","5622","10.1039/c3dt50183c","","","0.71069","MoKα","","0.0734","0.0441","","","0.0768","0.091","","","","","","0.834","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021273","16.0719","0.0003","19.7859","0.0002","14.64","0.0003","90","","123.678","0.003","90","","3874.13","0.18","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cl6 Cr2 N2 O10 Pd2 -","- C34 H24 Cl6 Cr2 N2 O10 Pd2 -","- C136 H96 Cl24 Cr8 N8 O40 Pd8 -","4","0.5","","Fuchter, Matthew J.; Judge, Dilraj K.; Weimar, Marko; White, Andrew J. P.","Stoichiometric C-H arylation of tricarbonyl(arene)chromium complexes bearing pyridine directing groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5615","5618","10.1039/c3dt50187f","","","0.71073","MoKα","","0.0353","0.026","","","0.0711","0.0728","","","","","","1.102","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021274","26.7584","0.0005","13.0677","0.0002","11.01544","0.00019","90","","104.324","0.0018","90","","3732.03","0.11","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 Cl Cr N2 O3 Pd -","- C19 H13 Cl Cr N2 O3 Pd -","- C152 H104 Cl8 Cr8 N16 O24 Pd8 -","8","1","","Fuchter, Matthew J.; Judge, Dilraj K.; Weimar, Marko; White, Andrew J. P.","Stoichiometric C-H arylation of tricarbonyl(arene)chromium complexes bearing pyridine directing groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5615","5618","10.1039/c3dt50187f","","","0.71073","MoKα","","0.0316","0.0213","","","0.0486","0.0499","","","","","","0.976","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021275","8.8923","0.00017","14.2567","0.0003","13.8089","0.0003","90","","94.6477","0.0017","90","","1744.86","0.06","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cr N O3 -","- C21 H15 Cr N O3 -","- C84 H60 Cr4 N4 O12 -","4","1","","Fuchter, Matthew J.; Judge, Dilraj K.; Weimar, Marko; White, Andrew J. P.","Stoichiometric C-H arylation of tricarbonyl(arene)chromium complexes bearing pyridine directing groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5615","5618","10.1039/c3dt50187f","","","0.71073","MoKα","","0.0546","0.0372","","","0.0915","0.0982","","","","","","1.046","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021276","7.62537","0.00016","12.3834","0.0002","27.589","0.0005","90","","90","","90","","2605.17","0.08","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cr N O3 -","- C15 H11 Cr N O3 -","- C120 H88 Cr8 N8 O24 -","8","1","","Fuchter, Matthew J.; Judge, Dilraj K.; Weimar, Marko; White, Andrew J. P.","Stoichiometric C-H arylation of tricarbonyl(arene)chromium complexes bearing pyridine directing groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5615","5618","10.1039/c3dt50187f","","","0.71073","MoKα","","0.0567","0.0494","","","0.1066","0.1089","","","","","","1.257","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021277","7.00453","0.00014","8.1315","0.00015","24.114","0.0004","90","","90","","90","","1373.47","0.04","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cr N O3 -","- C15 H11 Cr N O3 -","- C60 H44 Cr4 N4 O12 -","4","1","","Fuchter, Matthew J.; Judge, Dilraj K.; Weimar, Marko; White, Andrew J. P.","Stoichiometric C-H arylation of tricarbonyl(arene)chromium complexes bearing pyridine directing groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5615","5618","10.1039/c3dt50187f","","","0.71073","MoKα","","0.033","0.0295","","","0.0692","0.0706","","","","","","1.092","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021278","9.031","0.0004","10.5956","0.0005","16.4793","0.0005","89.09","0.002","82.464","0.002","85.249","0.002","1557.87","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H42 Cl Co N3 Si2 -","- C27 H42 Cl Co N3 Si2 -","- C54 H84 Cl2 Co2 N6 Si4 -","2","1","","Danopoulos, Andreas A.; Braunstein, Pierre","Mono-N-heterocyclic carbene amido and alkyl complexes. Cobalt-mediated C-H activation and C-C coupling reactions involving benzyl ligands on a putative 3-coordinate intermediate.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7276","7280","10.1039/c3dt50197c","","","0.71073","MoKα","","0.0926","0.0791","","","0.2537","0.2686","","","","","","1.22","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021279","14.9613","0.0004","12.2767","0.0003","14.9613","0.0004","90","","117.21","","90","","2443.92","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cl4 Co2 N4 O0 -","- C42 H52 Cl4 Co2 N4 -","- C84 H104 Cl8 Co4 N8 -","2","0.5","","Danopoulos, Andreas A.; Braunstein, Pierre","Mono-N-heterocyclic carbene amido and alkyl complexes. Cobalt-mediated C-H activation and C-C coupling reactions involving benzyl ligands on a putative 3-coordinate intermediate.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7276","7280","10.1039/c3dt50197c","","","0.71073","MoKα","","0.0994","0.0729","","","0.2243","0.2455","","","","","","0.868","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021280","12.4957","0.0005","13.9842","0.0008","16.6676","0.0008","90","","95.676","0.003","90","","2898.3","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H76 Cl4 Co2 N4 -","- C54 H76 Cl4 Co2 N4 -","- C108 H152 Cl8 Co4 N8 -","2","0.5","","Danopoulos, Andreas A.; Braunstein, Pierre","Mono-N-heterocyclic carbene amido and alkyl complexes. Cobalt-mediated C-H activation and C-C coupling reactions involving benzyl ligands on a putative 3-coordinate intermediate.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7276","7280","10.1039/c3dt50197c","","","0.71073","MoKα","","0.258","0.0969","","","0.1702","0.2519","","","","","","1.096","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021281","16.017","0.003","8.3798","0.0015","28.99","0.006","90","","97.102","0.004","90","","3861.2","1.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H51 Cl Co N4 -","- C35 H51 Cl Co N4 -","- C140 H204 Cl4 Co4 N16 -","4","1","","Danopoulos, Andreas A.; Braunstein, Pierre","Mono-N-heterocyclic carbene amido and alkyl complexes. Cobalt-mediated C-H activation and C-C coupling reactions involving benzyl ligands on a putative 3-coordinate intermediate.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7276","7280","10.1039/c3dt50197c","","","0.71073","MoKα","","0.1139","0.0773","","","0.2023","0.2184","","","","","","1.035","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021282","17.3027","0.001","23.6427","0.0014","16.8268","0.001","90","","90","","90","","6883.6","0.7","120","2","120","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C70 H96 Cl2 Co2 N6 O -","- C70 H96 Cl2 Co2 N6 O -","- C280 H384 Cl8 Co8 N24 O4 -","4","0.5","","Danopoulos, Andreas A.; Braunstein, Pierre","Mono-N-heterocyclic carbene amido and alkyl complexes. Cobalt-mediated C-H activation and C-C coupling reactions involving benzyl ligands on a putative 3-coordinate intermediate.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7276","7280","10.1039/c3dt50197c","","","0.71073","MoKα","","0.1015","0.0502","","","0.108","0.1331","","","","","","1.04","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021283","10.8147","0.001","12.436","0.0012","15.3783","0.0015","73.166","0.002","82.284","0.002","66.698","0.002","1817.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H53 Co N2 O -","- C43 H53 Co N2 O -","- C86 H106 Co2 N4 O2 -","2","1","","Danopoulos, Andreas A.; Braunstein, Pierre","Mono-N-heterocyclic carbene amido and alkyl complexes. Cobalt-mediated C-H activation and C-C coupling reactions involving benzyl ligands on a putative 3-coordinate intermediate.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7276","7280","10.1039/c3dt50197c","","","0.71073","MoKα","","0.1226","0.0581","","","0.1293","0.1535","","","","","","1.017","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021284","23.886","0.003","9.2712","0.0009","24.553","0.003","90","","90","","90","","5437.3","1.1","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C26 H27 Br2 N7 O Pd -","- C26 H27 Br2 N7 O Pd -","- C208 H216 Br16 N56 O8 Pd8 -","8","1","","Huynh, Han Vinh; Lee, Chen-Shiang","Pincer-type di(1,2,4-triazolin-5-ylidene)Pd(ii) complexes and their catalytic activities towards Cu- and amine-free Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6803","6809","10.1039/c3dt50237f","","","0.71073","MoKα","","0.1229","0.0649","","","0.1486","0.1695","","","","","","1.013","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021285","8.1277","0.001","12.839","0.0017","15.837","0.002","90","","101.113","0.003","90","","1621.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br2 N7 Pd -","- C13 H15 Br2 N7 Pd -","- C52 H60 Br8 N28 Pd4 -","4","1","","Huynh, Han Vinh; Lee, Chen-Shiang","Pincer-type di(1,2,4-triazolin-5-ylidene)Pd(ii) complexes and their catalytic activities towards Cu- and amine-free Sonogashira reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6803","6809","10.1039/c3dt50237f","","","0.71073","MoKα","","0.0398","0.0343","","","0.0869","0.0894","","","","","","1.063","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021286","12.5237","0.0006","24.7015","0.0014","17.8755","0.001","90","","95.685","0.005","90","","5502.7","0.5","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H60 Cl3 N10 Na O6 -","- C59 H60 Cl3 N10 Na O6 -","- C236 H240 Cl12 N40 Na4 O24 -","4","1","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Litvinov, Aleksey L.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular structure, optical and magnetic properties of metal-free phthalocyanine radical anions in crystalline salts (H2Pc˙(-))(cryptand[2,2,2][Na(+)])·1.5C6H4Cl2 and (H2Pc˙(-))(TOA(+))·C6H4Cl2 (TOA(+) is tetraoctylammonium cation).","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6810","6816","10.1039/c3dt50245g","","","0.71073","MoKα","","0.0704","0.0512","","","0.1108","0.1213","","","","","","1.004","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021287","16.1492","0.0011","23.969","0.0015","32.223","0.002","90","","90.537","0.007","90","","12472.3","1.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C70 H90 Cl2 N9 -","- C70 H90 Cl2 N9 -","- C560 H720 Cl16 N72 -","8","2","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Khasanov, Salavat S.; Litvinov, Aleksey L.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular structure, optical and magnetic properties of metal-free phthalocyanine radical anions in crystalline salts (H2Pc˙(-))(cryptand[2,2,2][Na(+)])·1.5C6H4Cl2 and (H2Pc˙(-))(TOA(+))·C6H4Cl2 (TOA(+) is tetraoctylammonium cation).","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6810","6816","10.1039/c3dt50245g","","","0.71073","MoKα","","0.1693","0.0988","","","0.2587","0.2983","","","","","","1.031","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021288","23.0405","0.0003","23.0405","0.0003","15.9177","0.0002","90","","90","","90","","8450.14","0.19","90","2","90","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","","","- C72 H109 N6 Si6 U2 -","- C63 H88 N6 Si6 U2 -","- C252 H352 N24 Si24 U8 -","4","0.5","","Patel, Dipti; Tuna, Floriana; McInnes, Eric J L; McMaster, Jonathan; Lewis, William; Blake, Alexander J; Liddle, Stephen T","A triamido-uranium(V) inverse-sandwich 10π-toluene tetraanion arene complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5224","5227","10.1039/c3dt50255d","","","1.54184","CuKα","","0.0781","0.0724","","","0.19","0.1947","","","","","","1.099","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7021289","49.845","0.01","22.258","0.005","34.838","0.007","90","","132.56","0.03","90","","28469","17","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C99 H133 Cl2 Dy4 N32 O38 -","- C99 H99 Cl2 Dy4 N32 O38 -","- C792 H792 Cl16 Dy32 N256 O304 -","8","1","","Wu, Shu-Qi; Xie, Qi-Wei; An, Guang-Yu; Chen, Xi; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Supramolecular lanthanide metallogrids exhibiting field-induced single-ion magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4369","4372","10.1039/c3dt50265a","","","0.71073","MoKα","","0.1033","0.0866","","","0.2025","0.213","","","","","","1.076","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021290","50.118","0.007","22.465","0.003","35.211","0.005","90","","133.025","0.002","90","","28982","7","143","2","143","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C99 H147 Cl2 N29 O37 Tb4 -","- C99 H95 Cl2 N29 O37 Tb4 -","- C792 H760 Cl16 N232 O296 Tb32 -","8","1","","Wu, Shu-Qi; Xie, Qi-Wei; An, Guang-Yu; Chen, Xi; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Supramolecular lanthanide metallogrids exhibiting field-induced single-ion magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4369","4372","10.1039/c3dt50265a","","","0.71073","MoKα","","0.0972","0.0852","","","0.2184","0.2267","","","","","","1.052","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021291","16.3209","0.0008","19.314","0.001","21.1033","0.001","79.558","0.002","68.96","0.002","70.483","0.002","5837.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Mn2TBC8PhSao","","","- C123 H169 Mn2 N8 O18 -","- C120 H162 Mn2 N7 O17 -","- C240 H324 Mn4 N14 O34 -","2","1","","McLellan, Ross; Taylor, Stephanie M.; McIntosh, Ruaraidh D.; Brechin, Euan K.; Dalgarno, Scott J.","Complementary ligands direct the formation of a calix[8]arene-supported ferromagnetic Mn(IV)Mn(III) dimer.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6697","6700","10.1039/c3dt50294e","","","0.71073","MoKα","","0.0873","0.0604","","","0.163","0.1766","","","","","","1.085","","","","has coordinates,has disorder","179917","2020-10-21","18:00:00",""
"7021292","7.3294","0.0005","17.2843","0.0013","24.3967","0.0018","90","","98.32","0.001","90","","3058.1","0.4","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 K2 N4 O3 -","- C30 H42 K2 N4 O3 -","- C120 H168 K8 N16 O12 -","4","1","","Vasudevan, Kalyan V.; Smythe, Nathan C.; Scott, Brian L.; Gordon, John C.","Metallopolymer formation using the (1R,2R)-N,N'-bis(pyridylmethylene)cyclohexane-1,2-diamine (BPID) ligand class.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4768","4771","10.1039/c3dt50327e","","","0.71073","MoKα","","0.0561","0.0416","","","0.1149","0.124","","","","","","1.174","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021293","16.101","0.003","10.5899","0.0017","19.115","0.003","90","","108.545","0.002","90","","3090","0.9","120","1","120","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 K2 N4 O3 -","- C30 H44 K2 N4 O3 -","- C120 H176 K8 N16 O12 -","4","1","","Vasudevan, Kalyan V.; Smythe, Nathan C.; Scott, Brian L.; Gordon, John C.","Metallopolymer formation using the (1R,2R)-N,N'-bis(pyridylmethylene)cyclohexane-1,2-diamine (BPID) ligand class.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4768","4771","10.1039/c3dt50327e","","","0.71073","MoKα","","0.1057","0.055","","","0.1286","0.1506","","","","","","1.108","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021294","29.022","0.006","29.022","0.006","29.022","0.006","90","","90","","90","","24445","9","100","2","100","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C80 H180 Ag56 S33 -","- C80 H180 Ag56 S33 -","- C320 H720 Ag224 S132 -","4","0.166667","","Sun, Di; Wang, Hua; Lu, Hai-Feng; Feng, Sheng-Yu; Zhang, Zhen-Wei; Sun, Guo-Xin; Sun, Dao-Feng","Two birds with one stone: anion templated ball-shaped Ag56 and disc-like Ag20 clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6281","6284","10.1039/c3dt50342a","","","0.71073","MOKα","","0.1056","0.0829","","","0.2422","0.2648","","","","","","1.069","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021295","11.887","0.002","19.864","0.004","25.881","0.005","90","","91.49","0.03","90","","6109","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H142 Ag20 N4 O23 S10 -","- C69 H142 Ag20 N4 O23 S10 -","- C138 H284 Ag40 N8 O46 S20 -","2","0.5","","Sun, Di; Wang, Hua; Lu, Hai-Feng; Feng, Sheng-Yu; Zhang, Zhen-Wei; Sun, Guo-Xin; Sun, Dao-Feng","Two birds with one stone: anion templated ball-shaped Ag56 and disc-like Ag20 clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6281","6284","10.1039/c3dt50342a","","","0.71073","MoKα","","0.056","0.0485","","","0.1179","0.1223","","","","","","1.015","","","","has coordinates","179917","2020-10-21","18:00:00",""
"7021296","10.467","0.002","9.202","0.002","19.691","0.005","90","","90.412","0.007","90","","1896.5","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 Cl N2 O5 Zn -","- C19 H19 Cl N2 O5 Zn -","- C76 H76 Cl4 N8 O20 Zn4 -","4","1","","Mendiguchia, Barbara Sanz; Pucci, Daniela; Mastropietro, Teresa F.; Ghedini, Mauro; Crispini, Alessandra","Non-classical anticancer agents: on the way to water soluble zinc(ii) heteroleptic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6768","6774","10.1039/c3dt50367d","","","0.71073","MoKα","","0.0438","0.0297","","","0.0806","0.0885","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021297","11.709","0.003","12.543","0.003","15.172","0.003","106.757","0.009","97.995","0.009","110.642","0.009","1923.3","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H37 N5 O11 S Zn -","- C38 H37 N5 O11 S Zn -","- C76 H74 N10 O22 S2 Zn2 -","2","1","","Mendiguchia, Barbara Sanz; Pucci, Daniela; Mastropietro, Teresa F.; Ghedini, Mauro; Crispini, Alessandra","Non-classical anticancer agents: on the way to water soluble zinc(ii) heteroleptic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6768","6774","10.1039/c3dt50367d","","","0.71073","MoKα","","0.0328","0.0301","","","0.0837","0.0858","","","","","","1.055","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021298","28.256","0.005","28.256","0.005","6.2531","0.0013","90","","90","","90","","4992.5","1.6","298","2","298","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C26 H23 N2 O7 Zn -","- C26 H23 N2 O7 Zn -","- C208 H184 N16 O56 Zn8 -","8","0.5","","Mendiguchia, Barbara Sanz; Pucci, Daniela; Mastropietro, Teresa F.; Ghedini, Mauro; Crispini, Alessandra","Non-classical anticancer agents: on the way to water soluble zinc(ii) heteroleptic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6768","6774","10.1039/c3dt50367d","","","0.71073","MoKα","","0.0643","0.0446","","","0.1081","0.1173","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021299","9.3725","0.0015","9.8002","0.0015","15.568","0.002","78.243","0.007","76.235","0.007","73.493","0.007","1317.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H23 N3 O8 S Zn -","- C26 H23 N3 O8 S Zn -","- C52 H46 N6 O16 S2 Zn2 -","2","1","","Mendiguchia, Barbara Sanz; Pucci, Daniela; Mastropietro, Teresa F.; Ghedini, Mauro; Crispini, Alessandra","Non-classical anticancer agents: on the way to water soluble zinc(ii) heteroleptic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6768","6774","10.1039/c3dt50367d","","","0.71073","MoKα","","0.0566","0.0427","","","0.1146","0.1249","","","","","","1.043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021300","16.064","0.003","14.808","0.003","14.846","0.003","90","","115.89","0.03","90","","3177.1","1.4","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H86 Cd3 N6 O49 Sm2 -","- C30 H58 Cd3 N6 O49 Sm2 -","- C60 H116 Cd6 N12 O98 Sm4 -","2","0.5","","Liu, Qi; Ge, Su-Zhi; Zhong, Jie-Cen; Sun, Yan-Qiong; Chen, Yi-Ping","Two novel 2D lanthanide-cadmium heterometal-organic frameworks based on nanosized heart-like Ln6Cd6O12 wheel-clusters exhibiting luminescence sensing to the polarization and concentration of cations.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6314","6317","10.1039/c3dt50368b","","","0.71073","MoKα","","0.0238","0.0236","","","0.0669","0.0671","","","","","","1.105","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021301","15.9222","0.0008","14.8017","0.0004","14.7923","0.0008","90","","115.882","0.007","90","","3136.5","0.3","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H86 Cd3 Eu2 N6 O49 -","- C30 H58 Cd3 Eu2 N6 O48 -","- C60 H116 Cd6 Eu4 N12 O96 -","2","0.5","","Liu, Qi; Ge, Su-Zhi; Zhong, Jie-Cen; Sun, Yan-Qiong; Chen, Yi-Ping","Two novel 2D lanthanide-cadmium heterometal-organic frameworks based on nanosized heart-like Ln6Cd6O12 wheel-clusters exhibiting luminescence sensing to the polarization and concentration of cations.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6314","6317","10.1039/c3dt50368b","","","1.54178","CuKα","","0.1127","0.1039","","","0.2458","0.2604","","","","","","0.969","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021302","14.2786","0.0006","18.6712","0.0007","11.8323","0.0004","90","","92.933","0.002","90","","3150.3","0.2","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H31 Cl2 Cu N5 O -","- C36 H31 Cl2 Cu N5 O -","- C144 H124 Cl8 Cu4 N20 O4 -","4","1","","Hua, Carol; Turner, Peter; D'Alessandro, Deanna M","Electrochemical and optical properties of a redox-active Cu(ii) coordination framework incorporating the tris(4-(pyridin-4-yl)phenyl)amine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6310","6313","10.1039/c3dt50377a","","","0.71073","MoKα","","0.0372","0.0344","","","0.0976","0.11","","","","","","1.608","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021303","20.618","0.003","32.001","0.004","9.7898","0.0013","90","","90","","90","","6459.3","1.5","100","2","100","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C31 H22 Cl3 Cu2 N6 O2 S2 -","- C31 H22 Cl3 Cu2 N6 O2 S2 -","- C248 H176 Cl24 Cu16 N48 O16 S16 -","8","","","Majouga, Alexander G.; Beloglazkina, Elena K.; Moiseeva, Anna A.; Shilova, Olga V.; Manzheliy, Eugeniy A.; Lebedeva, Maria A.; Davies, E. Stephen; Khlobystov, Andrei N.; Zyk, Nikolay V.","Cleavage of the C-S bond with the formation of a binuclear copper complex with 2-thiolato-3-phenyl-5-(pyridine-2-ylmethylene)-3,5-dihydro-4H-imidazole-4-one. A new mimic of the active site of N2O reductase.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6290","6293","10.1039/c3dt50422k","","","0.71073","MoKα","","0.1357","0.0532","","","0.0715","0.0854","","","","","","0.769","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021304","8.578","0.006","27.265","0.019","15.964","0.011","90","","94.54","0.013","90","","3722","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H92 Ni6 O30 -","- C74 H86 Ni6 O30 -","- C148 H172 Ni12 O60 -","2","0.5","","Newton, Graham N.; Sato, Hiroki; Shiga, Takuya; Oshio, Hiroki","Stepwise replacement of nickel with cobalt ions in a [Ni6] cluster.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6701","6704","10.1039/c3dt50429h","","","0.71073","MoKα","","0.1609","0.0706","","","0.1694","0.2265","","","","","","1.053","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021305","8.5016","0.0007","27.218","0.002","16.0744","0.0012","90","","94.7","0.002","90","","3707.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H92 Co Ni5 O30 -","- C74 H86 Co Ni5 O30 -","- C148 H172 Co2 Ni10 O60 -","2","0.5","","Newton, Graham N.; Sato, Hiroki; Shiga, Takuya; Oshio, Hiroki","Stepwise replacement of nickel with cobalt ions in a [Ni6] cluster.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6701","6704","10.1039/c3dt50429h","","","0.71073","MoKα","","0.059","0.0466","","","0.1164","0.1238","","","","","","1.07","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021306","8.4933","0.0011","27.255","0.003","16.116","0.002","90","","94.75","0.002","90","","3717.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H92 Co2 Ni4 O30 -","- C74 H86 Co2 Ni4 O30 -","- C148 H172 Co4 Ni8 O60 -","2","0.5","","Newton, Graham N.; Sato, Hiroki; Shiga, Takuya; Oshio, Hiroki","Stepwise replacement of nickel with cobalt ions in a [Ni6] cluster.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6701","6704","10.1039/c3dt50429h","","","0.71073","MoKα","","0.0733","0.0564","","","0.1377","0.1476","","","","","","1.081","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021307","9.8568","0.0012","9.8036","0.001","13.8407","0.0019","90","","108.52","0.01","90","","1268.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O S -","- C16 H13 N O S -","- C64 H52 N4 O4 S4 -","4","1","","Karak, Debasis; Das, Sudipta; Lohar, Sisir; Banerjee, Arnab; Sahana, Animesh; Hauli, Ipsit; Mukhopadhyay, Subhra Kanti; Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann; Das, Debasis","A naphthalene-thiophene hybrid molecule as a fluorescent AND logic gate with Zn(2+) and OAc(-) ions as inputs: cell imaging and computational studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6708","6715","10.1039/c3dt50450f","","","0.71073","MoKα","","0.0751","0.0531","","","0.1318","0.1428","","","","","","1.034","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021308","10.5023","0.0007","10.7351","0.0007","13.3354","0.0009","101.051","0.005","93.924","0.005","101.72","0.005","1435.79","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Cl N2 O6 S2 -","- C32 H27 Cl N2 O6 S2 -","- C64 H54 Cl2 N4 O12 S4 -","2","1","","Karak, Debasis; Das, Sudipta; Lohar, Sisir; Banerjee, Arnab; Sahana, Animesh; Hauli, Ipsit; Mukhopadhyay, Subhra Kanti; Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann; Das, Debasis","A naphthalene-thiophene hybrid molecule as a fluorescent AND logic gate with Zn(2+) and OAc(-) ions as inputs: cell imaging and computational studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6708","6715","10.1039/c3dt50450f","","","0.71073","MoKα","","0.047","0.0403","","","0.104","0.1075","","","","","","1.056","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021309","9.3945","0.0002","19.2373","0.0005","23.8082","0.0005","90","","90","","90","","4302.73","0.17","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 Cl3 Ir O3 P -","- C49 H39 Cl Ir O3 P -","- C196 H156 Cl4 Ir4 O12 P4 -","4","1","","Ficks, Arne; Harrington, Ross W.; Higham, Lee J.","Chiral MOP-phosphonite ligands: synthesis, characterisation and interconversion of η(1),η(6)-(σ-P, π-arene) chelated rhodium(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6302","6305","10.1039/c3dt50482d","","","0.71073","MoKα","","0.0234","0.0218","","","0.0562","0.0573","","","","","","1.075","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021310","9.5919","0.0003","19.2348","0.0005","23.6141","0.0006","90","","90","","90","","4356.8","0.2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H49 Cl O4 P Rh -","- C53 H49 Cl O4 P Rh -","- C212 H196 Cl4 O16 P4 Rh4 -","4","1","","Ficks, Arne; Harrington, Ross W.; Higham, Lee J.","Chiral MOP-phosphonite ligands: synthesis, characterisation and interconversion of η(1),η(6)-(σ-P, π-arene) chelated rhodium(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6302","6305","10.1039/c3dt50482d","","","0.71073","MoKα","","0.0388","0.033","","","0.0756","0.0794","","","","","","1.081","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021311","14.0434","0.0004","20.3321","0.0006","25.7605","0.0006","90","","90","","90","","7355.4","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C90 H74 B F4 O8 P2 Rh -","- C90 H74 B F4 O8 P2 Rh -","- C360 H296 B4 F16 O32 P8 Rh4 -","4","1","","Ficks, Arne; Harrington, Ross W.; Higham, Lee J.","Chiral MOP-phosphonite ligands: synthesis, characterisation and interconversion of η(1),η(6)-(σ-P, π-arene) chelated rhodium(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6302","6305","10.1039/c3dt50482d","","","1.54178","CuKα","","0.0461","0.0401","","","0.0986","0.1031","","","","","","1.027","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021312","8.3621","0.0003","16.1372","0.0007","15.1144","0.0005","90","","122.684","0.002","90","","1716.61","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 Fe N4 S3 -","- C12 H12 Cl2 Fe N4 S3 -","- C48 H48 Cl8 Fe4 N16 S12 -","4","1","","Thibon, Aurore; Karmazin-Brelot, Lydia; Mandon, Dominique","Facile synthesis of the new tripodal tetraamine ligand tris(thiazolylmethyl) amine, and full characterization of two ferrous complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6705","6707","10.1039/c3dt50484k","","","0.71073","MoKα","","0.0347","0.0274","","","0.0586","0.064","","","","","","1.167","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021313","8.3064","0.0003","18.8237","0.0008","16.1232","0.0006","90","","106.251","0.002","90","","2420.25","0.16","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 F6 Fe N4 O6 S5 -","- C14 H12 F6 Fe N4 O6 S5 -","- C56 H48 F24 Fe4 N16 O24 S20 -","4","1","","Thibon, Aurore; Karmazin-Brelot, Lydia; Mandon, Dominique","Facile synthesis of the new tripodal tetraamine ligand tris(thiazolylmethyl) amine, and full characterization of two ferrous complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6705","6707","10.1039/c3dt50484k","","","0.71073","MoKα","","0.0747","0.0581","","","0.1618","0.176","","","","","","1.036","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021314","14.142","0.003","14.201","0.003","15.462","0.003","71.63","0.013","70.14","0.012","81","0.015","2767.5","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H39 F6 N8 P Ru -","- C51 H39 F6 N8 P Ru -","- C102 H78 F12 N16 P2 Ru2 -","2","1","","Wang, Lei; Yang, Wen-Wen; Zhong, Yu-Wu; Yao, Jiannian","Enhancing the electronic coupling in a cyclometalated bisruthenium complex by using the 1,3,6,8-tetra(pyridin-2-yl)carbazole bridge.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5611","5614","10.1039/c3dt50486g","","","0.71073","MoKα","","0.0737","0.0641","","","0.179","0.1893","","","","","","1.043","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021315","43.939","0.01","43.939","0.01","8.5387","0.0019","90","","90","","90","","16485","6","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C31 H25 Co2 N4 O6 -","- C31 H25 Co2 N4 O6 -","- C496 H400 Co32 N64 O96 -","16","1","","Hou, Lei; Jia, Li-Na; Shi, Wen-Juan; Du, Li-Yun; Li, Jiang; Wang, Yao-Yu; Shi, Qi-Zhen","A 3D porous metal-organic framework containing nanotubes based on multiple helices.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6306","6309","10.1039/c3dt50506e","","","0.71073","MoKα","","0.0492","0.0345","","","0.093","0.0977","","","","","","1.002","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021316","9.408","0.003","12.257","0.004","16.542","0.005","83.632","0.005","85.283","0.005","72.234","0.005","1803","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H45 Fe N2 O P -","- C40 H45 Fe N2 O P -","- C80 H90 Fe2 N4 O2 P2 -","2","1","","Xiao, Jie; Deng, Liang","Iron-mediated C-H bond amination by organic azides on a tripodal bis(anilido)iminophosphorane platform.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5607","5610","10.1039/c3dt50518a","","","0.71073","MoKα","","0.0535","0.0456","","","0.1427","0.1655","","","","","","1.061","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021317","9.7956","0.0016","17.045","0.003","24.724","0.004","90","","96.057","0.003","90","","4105","1.2","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H58 Fe N3 O P -","- C50 H58 Fe N3 O P -","- C200 H232 Fe4 N12 O4 P4 -","4","1","","Xiao, Jie; Deng, Liang","Iron-mediated C-H bond amination by organic azides on a tripodal bis(anilido)iminophosphorane platform.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5607","5610","10.1039/c3dt50518a","","","0.71073","MoKα","","0.1116","0.0559","","","0.1256","0.1489","","","","","","0.962","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021318","10.748","0.003","15.275","0.004","16.494","0.004","93.069","0.005","105.735","0.004","106.566","0.005","2473","1.1","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H67 Fe N4 P -","- C54 H67 Fe N4 P -","- C108 H134 Fe2 N8 P2 -","2","1","","Xiao, Jie; Deng, Liang","Iron-mediated C-H bond amination by organic azides on a tripodal bis(anilido)iminophosphorane platform.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5607","5610","10.1039/c3dt50518a","","","0.71073","MoKα","","0.1139","0.0648","","","0.1565","0.1823","","","","","","1.017","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021319","12.817","0.003","16.341","0.003","22.588","0.005","90","","101.303","0.004","90","","4639.1","1.7","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H65 Fe N4 P -","- C56 H65 Fe N4 P -","- C224 H260 Fe4 N16 P4 -","4","1","","Xiao, Jie; Deng, Liang","Iron-mediated C-H bond amination by organic azides on a tripodal bis(anilido)iminophosphorane platform.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5607","5610","10.1039/c3dt50518a","","","0.71073","MoKα","","0.1139","0.0583","","","0.1183","0.1387","","","","","","0.971","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021320","14.6881","0.0015","16.1286","0.0017","16.9996","0.0017","107.95","0.004","109.56","0.004","105.64","0.004","3283.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H150 Ag2 O60 Zr8 -","- C104 H150 Ag2 O60 Zr8 -","- C104 H150 Ag2 O60 Zr8 -","1","0.5","","Artner, Christine; Koyun, Ayse; Schubert, Ulrich","Conversion of methacrylate into 2-hydroxy-2-methylpropionate ligands in the coordination sphere of a Ag-Zr oxo cluster.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6694","6696","10.1039/c3dt50554e","","","0.71073","MoKα","","0.1265","0.0493","","","0.0653","0.0804","","","","","","1.003","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021321","5.3195","0.001","7.9352","0.0015","17.464","0.003","90","","90","","90","","737.2","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- B Cu2 H2 Li O10 P2 -","- B Cu2 H2 Li O10 P2 -","- B4 Cu8 H8 Li4 O40 P8 -","4","1","","Yang, Miao; Li, Xinjie; Yu, Jihong; Zhu, Jingran; Liu, Xiaoxia; Chen, Genfu; Yan, Yan","LiCu2[BP2O8(OH)2]: a chiral open-framework copper borophosphate via spontaneous asymmetrical crystallization.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6298","6301","10.1039/c3dt50591j","","","0.71073","MoKα","","0.0178","0.0172","","","0.0468","0.047","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021322","9.7141","0.0006","12.0383","0.0007","16.561","0.0001","82.01","0.0001","75.098","0.0001","68.09","0.0001","1734.35","0.15","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C31.5 H28 Cl N2 O5 S6 U -","- C31.5 H28 Cl N2 O5 S6 U -","- C63 H56 Cl2 N4 O10 S12 U2 -","2","1","","Bejger, Christopher; Tian, Yong-Hui; Barker, Beau J.; Boland, Kevin S.; Scott, Brian L.; Batista, Enrique R.; Kozimor, Stosh A.; Sessler, Jonathan L.","Synthesis and characterization of a tetrathiafulvalene-salphen actinide complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6716","6719","10.1039/c3dt50698c","","","0.71073","MoKα","","0.0286","0.0244","","","0.0516","0.0529","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021323","12.694","","12.79","","13.047","","64.79","","81.14","","64.31","","1725.84","","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Dy F18 N O7 -","- C28 H16 Dy F18 N O7 -","- C56 H32 Dy2 F36 N2 O14 -","2","1","","Yi, Xiaohui; Bernot, Kevin; Cador, Olivier; Luzon, Javier; Calvez, Guillaume; Daiguebonne, Carole; Guillou, Olivier","Influence of ferromagnetic connection of Ising-type Dy(III)-based single ion magnets on their magnetic slow relaxation.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6728","6731","10.1039/c3dt50762a","","","0.71073","MoKα","","0.0508","0.034","","","0.0826","0.0939","","","","","","1.092","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021324","15.4044","0.0004","15.0872","0.0002","17.6485","0.0005","90","","115.232","0.003","90","","3710.33","0.18","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 F12 N7 P2 Zn -","- C36 H31 F12 N7 P2 Zn -","- C144 H124 F48 N28 P8 Zn4 -","4","1","","Heider, Silvio; Petzold, Holm; Chastanet, Guillaume; Schlamp, Stephan; Rüffer, Tobias; Weber, Birgit; Létard, Jean-François","Biphenyl bridged hexadentate N6-ligands - a rigid ligand backbone for Fe(ii) spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8575","8584","10.1039/c2dt32451b","","","0.71073","MoKα","","0.0408","0.0288","","","0.0712","0.073","","","","","","0.983","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021325","20.6794","0.0005","13.0498","0.0002","23.5787","0.0005","90","","105.98","0.002","90","","6117.1","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Cl2 Fe N8 O8 -","- C30 H26 Cl2 Fe N8 O8 -","- C240 H208 Cl16 Fe8 N64 O64 -","8","2","","Heider, Silvio; Petzold, Holm; Chastanet, Guillaume; Schlamp, Stephan; Rüffer, Tobias; Weber, Birgit; Létard, Jean-François","Biphenyl bridged hexadentate N6-ligands - a rigid ligand backbone for Fe(ii) spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8575","8584","10.1039/c2dt32451b","","","1.54184","CuKα","","0.066","0.0456","","","0.1067","0.1106","","","","","","0.912","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021326","10.6583","0.0005","13.0183","0.0006","23.521","0.0014","90","","102.085","0.005","90","","3191.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl2 Fe N8 O8 -","- C30 H26 Cl2 Fe N8 O8 -","- C120 H104 Cl8 Fe4 N32 O32 -","4","1","","Heider, Silvio; Petzold, Holm; Chastanet, Guillaume; Schlamp, Stephan; Rüffer, Tobias; Weber, Birgit; Létard, Jean-François","Biphenyl bridged hexadentate N6-ligands - a rigid ligand backbone for Fe(ii) spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8575","8584","10.1039/c2dt32451b","","","1.54184","CuKα","","0.0862","0.0634","","","0.1708","0.1793","","","","","","0.983","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021327","20.421","0.0009","13.0531","0.0004","23.2971","0.0009","90","","105.612","0.004","90","","5980.9","0.4","91.2","0.3","91.2","0.3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H52 B4 F16 Fe2 N16 -","- C60 H52 B4 F16 Fe2 N16 -","- C240 H208 B16 F64 Fe8 N64 -","4","1","","Heider, Silvio; Petzold, Holm; Chastanet, Guillaume; Schlamp, Stephan; Rüffer, Tobias; Weber, Birgit; Létard, Jean-François","Biphenyl bridged hexadentate N6-ligands - a rigid ligand backbone for Fe(ii) spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8575","8584","10.1039/c2dt32451b","","","0.71073","MoKα","","0.1072","0.0671","","","0.1592","0.1724","","","","","","0.89","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021328","10.5414","0.0003","13.0245","0.0004","23.229","0.0007","90","","101.677","0.003","90","","3123.26","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H52 B4 F16 Fe2 N16 -","- C60 H52 B4 F16 Fe2 N16 -","- C120 H104 B8 F32 Fe4 N32 -","2","0.5","","Heider, Silvio; Petzold, Holm; Chastanet, Guillaume; Schlamp, Stephan; Rüffer, Tobias; Weber, Birgit; Létard, Jean-François","Biphenyl bridged hexadentate N6-ligands - a rigid ligand backbone for Fe(ii) spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8575","8584","10.1039/c2dt32451b","","","0.71073","MoKα","","0.0566","0.0399","","","0.1019","0.1068","","","","","","0.942","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021329","20.6854","0.0005","12.8812","0.0002","23.2003","0.0005","90","","100.953","0.002","90","","6069.2","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 B2 F8 N8 Zn -","- C30 H26 B2 F8 N8 Zn -","- C240 H208 B16 F64 N64 Zn8 -","8","2","","Heider, Silvio; Petzold, Holm; Chastanet, Guillaume; Schlamp, Stephan; Rüffer, Tobias; Weber, Birgit; Létard, Jean-François","Biphenyl bridged hexadentate N6-ligands - a rigid ligand backbone for Fe(ii) spin crossover complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8575","8584","10.1039/c2dt32451b","","","0.71073","MoKα","","0.0625","0.0412","","","0.088","0.0947","","","","","","1.021","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021330","8.9587","0.0007","14.3777","0.0013","17.7595","0.0014","73.418","0.003","81.473","0.003","81.371","0.003","2154.1","0.3","120","1","120","1","","","","","","","","5","P -1","-P 1","2","2a","","","- C24 H32 N2 O Ti -","- C24 H32 N2 O Ti -","- C96 H128 N8 O4 Ti4 -","4","2","","Yasumoto, Takahiro; Yamamoto, Keishi; Tsurugi, Hayato; Mashima, Kazushi","Isospecific polymerization of 1-hexene by C1-symmetric half-metallocene dimethyl complexes of group 4 metals with bidentate N-substituted iminomethylpyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9120","9128","10.1039/c2dt32481d","","","0.71075","MoKα","","0.1394","0.053","","","0.1492","0.1785","","","","","","1.038","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021331","9.1395","0.0004","9.5693","0.0004","14.4498","0.0006","103.401","0.001","97.55","0.001","110.744","0.001","1117.55","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","3a","","","- C24 H32 N2 O Zr -","- C24 H32 N2 O Zr -","- C48 H64 N4 O2 Zr2 -","2","1","","Yasumoto, Takahiro; Yamamoto, Keishi; Tsurugi, Hayato; Mashima, Kazushi","Isospecific polymerization of 1-hexene by C1-symmetric half-metallocene dimethyl complexes of group 4 metals with bidentate N-substituted iminomethylpyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9120","9128","10.1039/c2dt32481d","","","0.71075","MoKα","","0.0245","0.0231","","","0.0754","0.0789","","","","","","1.177","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021332","15.6422","0.0009","8.9096","0.0005","16.784","0.0007","90","","90.262","0.003","90","","2339.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4c","","","- C25 H34 Hf N2 -","- C25 H34 Hf N2 -","- C100 H136 Hf4 N8 -","4","1","","Yasumoto, Takahiro; Yamamoto, Keishi; Tsurugi, Hayato; Mashima, Kazushi","Isospecific polymerization of 1-hexene by C1-symmetric half-metallocene dimethyl complexes of group 4 metals with bidentate N-substituted iminomethylpyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9120","9128","10.1039/c2dt32481d","","","0.71075","MoKα","","0.038","0.0309","","","0.0843","0.0869","","","","","","1.181","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021333","14.6866","0.0009","8.3103","0.0004","17.7682","0.001","90","","109.942","0.003","90","","2038.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4g","","","- C21 H34 Hf N2 -","- C21 H34 Hf N2 -","- C84 H136 Hf4 N8 -","4","1","","Yasumoto, Takahiro; Yamamoto, Keishi; Tsurugi, Hayato; Mashima, Kazushi","Isospecific polymerization of 1-hexene by C1-symmetric half-metallocene dimethyl complexes of group 4 metals with bidentate N-substituted iminomethylpyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9120","9128","10.1039/c2dt32481d","","","0.71075","MoKα","","0.0426","0.0369","","","0.0949","0.0982","","","","","","1.141","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021334","21.571","0.008","10.906","0.004","24.181","0.009","90","","110.853","0.003","90","","5316","3","123","2","123","2","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C62 H86 Cl2 Nb O4 -","- C60 H82 Cl2 Nb O3.5 -","- C240 H328 Cl8 Nb4 O14 -","4","1","","Kurogi, Takashi; Ishida, Yutaka; Hatanaka, Tsubasa; Kawaguchi, Hiroyuki","Reduction of carbon monoxide by a tetrakis(aryloxide)diniobium complex having four bridging hydrides.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7510","7513","10.1039/c2dt32798h","","","0.71075","MoKα","","0.1244","0.077","","","0.1792","0.217","","","","","","1.073","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021335","21.761","0.003","18.617","0.003","23.707","0.004","90","","93.768","0.003","90","","9584","3","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C119 H162 Nb2 O4 -","- C119 H162 Nb2 O4 -","- C476 H648 Nb8 O16 -","4","1","","Kurogi, Takashi; Ishida, Yutaka; Hatanaka, Tsubasa; Kawaguchi, Hiroyuki","Reduction of carbon monoxide by a tetrakis(aryloxide)diniobium complex having four bridging hydrides.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7510","7513","10.1039/c2dt32798h","","","0.71075","MoKα","","0.1054","0.0775","","","0.1874","0.2118","","","","","","1.056","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021336","17.793","0.007","17.972","0.007","18.964","0.007","58.272","0.011","74.032","0.018","83.67","0.02","4955","3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C121 H167 Nb2 O6 -","- C121 H167 Nb2 O6 -","- C242 H334 Nb4 O12 -","2","1","","Kurogi, Takashi; Ishida, Yutaka; Hatanaka, Tsubasa; Kawaguchi, Hiroyuki","Reduction of carbon monoxide by a tetrakis(aryloxide)diniobium complex having four bridging hydrides.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7510","7513","10.1039/c2dt32798h","","","0.71075","MoKα","","0.166","0.0848","","","0.1839","0.2435","","","","","","1.055","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021337","20.333","0.003","25.833","0.005","21.541","0.004","90","","90.185","0.003","90","","11315","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C133.5 H170 Nb2 O5 -","- C123 H156 Nb2 O5 -","- C492 H624 Nb8 O20 -","4","0.5","","Kurogi, Takashi; Ishida, Yutaka; Hatanaka, Tsubasa; Kawaguchi, Hiroyuki","Reduction of carbon monoxide by a tetrakis(aryloxide)diniobium complex having four bridging hydrides.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7510","7513","10.1039/c2dt32798h","","","0.71075","MoKα","","0.1029","0.0803","","","0.1988","0.2148","","","","","","1.109","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021338","11.0904","0.0001","13.4696","0.0002","13.6674","0.0002","114.173","0.0005","105.529","0.0006","92.2735","0.0011","1768.57","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H50 Cl2 Hf N2 O4 -","- C33 H50 Cl2 Hf N2 O4 -","- C66 H100 Cl4 Hf2 N4 O8 -","2","1","","Press, Konstantin; Venditto, Vincenzo; Goldberg, Israel; Kol, Moshe","Zirconium and hafnium Salalen complexes in isospecific polymerisation of propylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9096","9103","10.1039/c3dt00024a","","","0.71073","MoKα","","0.0503","0.0408","","","0.0965","0.1026","","","","","","1.036","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021339","9.7254","0.0008","11.1668","0.001","15.575","0.0014","91.609","0.002","99.574","0.002","93.894","0.002","1662.7","0.3","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 F4 N4 -","- C38 H44 F4 N4 -","- C76 H88 F8 N8 -","2","1","","Habata, Yoichi; Oyama, Yosuke; Ikeda, Mari; Kuwahara, Shunsuke","Argentivorous molecules with two kinds of aromatic side-arms: intramolecular competition between side-arms.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8212","8217","10.1039/c3dt00034f","","","0.71073","MoKα","","0.0801","0.0518","","","0.1208","0.1342","","","","","","1.029","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021340","10.0071","0.0005","15.1936","0.0007","27.0539","0.0013","90","","93.591","0.001","90","","4105.3","0.3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H89 Ag2 F14 N8 O7 S2 -","- C78 H88 Ag2 F14 N8 O7 S2 -","- C156 H176 Ag4 F28 N16 O14 S4 -","2","0.5","","Habata, Yoichi; Oyama, Yosuke; Ikeda, Mari; Kuwahara, Shunsuke","Argentivorous molecules with two kinds of aromatic side-arms: intramolecular competition between side-arms.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8212","8217","10.1039/c3dt00034f","","","0.71073","MoKα","","0.1097","0.0516","","","0.0882","0.1009","","","","","","0.828","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021341","11.7735","0.0017","13.944","0.002","16.541","0.002","108.029","0.003","106.344","0.003","102.841","0.003","2331.1","0.6","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H51 Cu F10 N6 O7 S2 -","- C44 H50 Cu F10 N6 O7 S2 -","- C88 H100 Cu2 F20 N12 O14 S4 -","2","1","","Habata, Yoichi; Oyama, Yosuke; Ikeda, Mari; Kuwahara, Shunsuke","Argentivorous molecules with two kinds of aromatic side-arms: intramolecular competition between side-arms.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8212","8217","10.1039/c3dt00034f","","","0.71073","MoKα","","0.1011","0.0641","","","0.1603","0.1821","","","","","","1.024","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021342","9.1992","0.001","10.3017","0.0011","10.9195","0.0011","79.597","0.002","88.318","0.002","67.609","0.002","940.18","0.17","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H44 F4 N4 -","- C44 H44 F4 N4 -","- C44 H44 F4 N4 -","1","0.5","","Habata, Yoichi; Oyama, Yosuke; Ikeda, Mari; Kuwahara, Shunsuke","Argentivorous molecules with two kinds of aromatic side-arms: intramolecular competition between side-arms.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8212","8217","10.1039/c3dt00034f","","","0.71073","MoKα","","0.0954","0.0565","","","0.1475","0.1698","","","","","","1.034","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021343","10.0718","0.0009","30.925","0.003","16.7058","0.0011","90","","126.958","0.004","90","","4157.9","0.7","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H47 Ag B F8 N5 -","- C46 H47 Ag B F8 N5 -","- C184 H188 Ag4 B4 F32 N20 -","4","1","","Habata, Yoichi; Oyama, Yosuke; Ikeda, Mari; Kuwahara, Shunsuke","Argentivorous molecules with two kinds of aromatic side-arms: intramolecular competition between side-arms.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8212","8217","10.1039/c3dt00034f","","","0.71073","MoKα","","0.0448","0.0361","","","0.0941","0.0989","","","","","","1.05","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021344","8.8124","0.0008","9.6778","0.0009","13.3655","0.0012","86.321","0.002","71.759","0.002","63.608","0.002","965.98","0.15","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H48 F4 N4 -","- C52 H48 F4 N4 -","- C52 H48 F4 N4 -","1","0.5","","Habata, Yoichi; Oyama, Yosuke; Ikeda, Mari; Kuwahara, Shunsuke","Argentivorous molecules with two kinds of aromatic side-arms: intramolecular competition between side-arms.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8212","8217","10.1039/c3dt00034f","","","0.71073","MoKα","","0.0789","0.0552","","","0.1314","0.1449","","","","","","1.02","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021345","14.8401","0.0008","14.3569","0.0008","23.2128","0.0011","90","","112.169","0.003","90","","4580.1","0.4","223","","223","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C53 H48 Ag F7 N4 O3 S -","- C53 H48 Ag F7 N4 O3 S -","- C212 H192 Ag4 F28 N16 O12 S4 -","4","1","","Habata, Yoichi; Oyama, Yosuke; Ikeda, Mari; Kuwahara, Shunsuke","Argentivorous molecules with two kinds of aromatic side-arms: intramolecular competition between side-arms.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8212","8217","10.1039/c3dt00034f","","","0.71073","MoKα","","0.0357","0.0298","","","0.0796","0.0833","","","","","","1.054","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021346","27.692","0.007","23.442","0.006","14.633","0.003","90","","90","","90","","9499","4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C90.5 H104 N6 O10.5 Zn3 -","- C90.25 H104 N6 O10.25 Zn3 -","- C361 H416 N24 O41 Zn12 -","4","0.5","","Anselmo, Daniele; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martin, Eddy; Kleij, Arjan W.","Merging catalysis and supramolecular aggregation features of triptycene based Zn(salphen)s.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7962","7970","10.1039/c3dt00067b","","","0.71073","MoKα","","0.1864","0.0993","","","0.2954","0.3151","","","","","","0.987","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021347","24.9324","0.0018","11.9002","0.0009","21.784","0.002","90","","124.409","0.002","90","","5332.4","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67.8 H49.6 Cl0.6 N5.8 O4 Zn2 -","- C67.8 H49.6 Cl0.6 N5.8 O4 Zn2 -","- C271.2 H198.4 Cl2.4 N23.2 O16 Zn8 -","4","0.5","","Anselmo, Daniele; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martin, Eddy; Kleij, Arjan W.","Merging catalysis and supramolecular aggregation features of triptycene based Zn(salphen)s.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7962","7970","10.1039/c3dt00067b","","","0.71073","MoKα","","0.0427","0.0349","","","0.093","0.0972","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021348","14.099","0.0009","14.7495","0.0009","14.5848","0.0009","90","","112.86","0.002","90","","2794.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 N3 O2 Zn -","- C37 H27 N3 O2 Zn -","- C148 H108 N12 O8 Zn4 -","4","1","","Anselmo, Daniele; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martin, Eddy; Kleij, Arjan W.","Merging catalysis and supramolecular aggregation features of triptycene based Zn(salphen)s.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7962","7970","10.1039/c3dt00067b","","","0.71073","MoKα","","0.0857","0.0502","","","0.1269","0.1507","","","","","","1.069","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021349","13.2122","0.0004","22.0668","0.0007","22.7321","0.0008","100.077","0.001","96.784","0.001","105.897","0.001","6178.5","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C92.5 H105.5 N6 Ni3 O9.25 S3.25 -","- C92.5 H105.5 N6 Ni3 O9.25 S3.25 -","- C185 H211 N12 Ni6 O18.5 S6.5 -","2","1","","Anselmo, Daniele; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martin, Eddy; Kleij, Arjan W.","Merging catalysis and supramolecular aggregation features of triptycene based Zn(salphen)s.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7962","7970","10.1039/c3dt00067b","","","0.71073","MoKα","","0.078","0.0584","","","0.1846","0.1951","","","","","","1.104","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021350","9.1484","0.0007","10.4688","0.0008","17.6146","0.0012","98.405","0.003","97.457","0.004","114.971","0.003","1478","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H62 N4 O8 S4 Zn2 -","- C66 H62 N4 O8 S4 Zn2 -","- C66 H62 N4 O8 S4 Zn2 -","1","0.5","","Anselmo, Daniele; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martin, Eddy; Kleij, Arjan W.","Merging catalysis and supramolecular aggregation features of triptycene based Zn(salphen)s.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7962","7970","10.1039/c3dt00067b","","","0.71073","MoKα","","0.1066","0.0589","","","0.1227","0.1476","","","","","","1.026","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021351","15.4322","0.0009","18.2236","0.0012","31.756","0.002","84.459","0.003","83.048","0.003","74.347","0.003","8517.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H113 N10 O4 P Zn2 -","- C84 H113 N10 O4 P Zn2 -","- C336 H452 N40 O16 P4 Zn8 -","4","2","","Anselmo, Daniele; Gramage-Doria, Rafael; Besset, Tatiana; Escárcega-Bobadilla, Martha V; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Martin, Eddy; Reek, Joost N. H.; Kleij, Arjan W.","Supramolecular bulky phosphines comprising 1,3,5-triaza-7-phosphaadamantane and Zn(salphen)s: structural features and application in hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7595","7603","10.1039/c3dt00078h","","","0.71073","MoKα","","0.0942","0.0648","","","0.165","0.1772","","","","","","1.048","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021352","18.1552","0.0004","31.5457","0.0008","25.2433","0.0007","90","","105.482","0.001","90","","13932.7","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H72.5 F6 N9 O6.25 P Zn3 -","- C78 H72.5 F6 N9 O6.25 P Zn3 -","- C624 H580 F48 N72 O50 P8 Zn24 -","8","1","","Anselmo, Daniele; Gramage-Doria, Rafael; Besset, Tatiana; Escárcega-Bobadilla, Martha V; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Martin, Eddy; Reek, Joost N. H.; Kleij, Arjan W.","Supramolecular bulky phosphines comprising 1,3,5-triaza-7-phosphaadamantane and Zn(salphen)s: structural features and application in hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7595","7603","10.1039/c3dt00078h","","","1.54178","CuKα","","0.0531","0.0497","","","0.1436","0.1487","","","","","","1.147","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021353","30.798","0.002","13.5677","0.0009","29.886","0.002","90","","101.815","0.002","90","","12223.5","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H71 Cl4 N8 O4 P Zn2 -","- C64 H71 Cl4 N8 O4 P Zn2 -","- C512 H568 Cl32 N64 O32 P8 Zn16 -","8","1","","Anselmo, Daniele; Gramage-Doria, Rafael; Besset, Tatiana; Escárcega-Bobadilla, Martha V; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Martin, Eddy; Reek, Joost N. H.; Kleij, Arjan W.","Supramolecular bulky phosphines comprising 1,3,5-triaza-7-phosphaadamantane and Zn(salphen)s: structural features and application in hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7595","7603","10.1039/c3dt00078h","","","0.71073","MoKα","","0.0408","0.031","","","0.0714","0.0753","","","","","","1.06","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021354","29.253","0.003","16.9817","0.0016","33.515","0.003","90","","100.63","0.003","90","","16363","3","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C181 H206 Cl2 N18 O12 P2 Zn6 -","- C181 H206 Cl2 N18 O12 P2 Zn6 -","- C724 H824 Cl8 N72 O48 P8 Zn24 -","4","1","","Anselmo, Daniele; Gramage-Doria, Rafael; Besset, Tatiana; Escárcega-Bobadilla, Martha V; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Martin, Eddy; Reek, Joost N. H.; Kleij, Arjan W.","Supramolecular bulky phosphines comprising 1,3,5-triaza-7-phosphaadamantane and Zn(salphen)s: structural features and application in hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7595","7603","10.1039/c3dt00078h","","","0.71073","MoKα","","0.0571","0.0435","","","0.1002","0.1064","","","","","","1.017","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021355","16.3497","0.0013","15.1014","0.0011","29.107","0.002","90","","93.354","0.003","90","","7174.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H100 N7 O6 P Zn2 -","- C76 H100 N7 O6 P Zn2 -","- C304 H400 N28 O24 P4 Zn8 -","4","1","","Anselmo, Daniele; Gramage-Doria, Rafael; Besset, Tatiana; Escárcega-Bobadilla, Martha V; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Martin, Eddy; Reek, Joost N. H.; Kleij, Arjan W.","Supramolecular bulky phosphines comprising 1,3,5-triaza-7-phosphaadamantane and Zn(salphen)s: structural features and application in hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7595","7603","10.1039/c3dt00078h","","","0.71073","MoKα","","0.0949","0.0547","","","0.1156","0.1313","","","","","","1.017","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021356","14.3779","0.0007","30.829","0.0015","17.5123","0.0008","90","","110.964","0.002","90","","7248.6","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C70.5 H88 Cl N7 O4 P Zn2 -","- C70.5 H88 Cl N7 O4 P Zn2 -","- C282 H352 Cl4 N28 O16 P4 Zn8 -","4","1","","Anselmo, Daniele; Gramage-Doria, Rafael; Besset, Tatiana; Escárcega-Bobadilla, Martha V; Salassa, Giovanni; Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Martin, Eddy; Reek, Joost N. H.; Kleij, Arjan W.","Supramolecular bulky phosphines comprising 1,3,5-triaza-7-phosphaadamantane and Zn(salphen)s: structural features and application in hydrosilylation catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7595","7603","10.1039/c3dt00078h","","","0.71073","MoKα","","0.0751","0.0588","","","0.1798","0.1907","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021357","25.9151","0.0001","14.1744","0.0001","20.6042","0.0001","90","","90","","90","","7568.56","0.07","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C40 H34 N6 O10 Zn -","- C40 H34 N6 O10 Zn -","- C320 H272 N48 O80 Zn8 -","8","1","","Leong, Chanel F.; Faust, Thomas B.; Turner, Peter; Usov, Pavel M.; Kepert, Cameron J.; Babarao, Ravichandar; Thornton, Aaron W.; D'Alessandro, Deanna M","Enhancing selective CO2 adsorption via chemical reduction of a redox-active metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9831","9839","10.1039/c3dt00083d","","","1.5418","CuKα","","0.0551","0.0523","","","0.1703","0.1749","","","","","","1.18","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021358","16.389","0.003","18.944","0.003","19.262","0.003","90","","113.192","0.002","90","","5497.1","1.6","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 F6 Fe N O4 S2 -","- C23 H32 F6 Fe N O4 S2 -","- C184 H256 F48 Fe8 N8 O32 S16 -","8","1","","Funasako, Yusuke; Inagaki, Takashi; Mochida, Tomoyuki; Sakurai, Toshihiro; Ohta, Hitoshi; Furukawa, Ko; Nakamura, Toshikazu","Organometallic ionic liquids from alkyloctamethylferrocenium cations: thermal properties, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8317","8327","10.1039/c3dt00084b","","","0.71073","MoKα","","0.0447","0.039","","","0.1087","0.1135","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021359","12.6489","0.0014","13.2409","0.0015","13.8307","0.0016","91.767","0.002","91.233","0.002","94.617","0.002","2307.1","0.5","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 F6 Fe P -","- C22 H34 F6 Fe P -","- C88 H136 F24 Fe4 P4 -","4","2","","Funasako, Yusuke; Inagaki, Takashi; Mochida, Tomoyuki; Sakurai, Toshihiro; Ohta, Hitoshi; Furukawa, Ko; Nakamura, Toshikazu","Organometallic ionic liquids from alkyloctamethylferrocenium cations: thermal properties, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8317","8327","10.1039/c3dt00084b","","","0.71073","MoKα","","0.0511","0.04","","","0.1055","0.1133","","","","","","1.04","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021360","16.0571","0.0016","8.9074","0.0009","17.691","0.0018","90","","96.246","0.002","90","","2515.3","0.4","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 F6 Fe P -","- C24 H38 F6 Fe P -","- C96 H152 F24 Fe4 P4 -","4","1","","Funasako, Yusuke; Inagaki, Takashi; Mochida, Tomoyuki; Sakurai, Toshihiro; Ohta, Hitoshi; Furukawa, Ko; Nakamura, Toshikazu","Organometallic ionic liquids from alkyloctamethylferrocenium cations: thermal properties, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8317","8327","10.1039/c3dt00084b","","","0.71073","MoKα","","0.0772","0.0641","","","0.1901","0.2038","","","","","","1.05","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021361","17.982","0.005","8.762","0.002","17.319","0.005","90","","115.567","0.004","90","","2461.6","1.1","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Fe N O3 -","- C24 H38 Fe N O3 -","- C96 H152 Fe4 N4 O12 -","4","1","","Funasako, Yusuke; Inagaki, Takashi; Mochida, Tomoyuki; Sakurai, Toshihiro; Ohta, Hitoshi; Furukawa, Ko; Nakamura, Toshikazu","Organometallic ionic liquids from alkyloctamethylferrocenium cations: thermal properties, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8317","8327","10.1039/c3dt00084b","","","0.71073","MoKα","","0.0808","0.0584","","","0.1196","0.1296","","","","","","0.972","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021362","19.6648","0.0018","8.7837","0.0008","17.5494","0.0016","90","","102.498","0.002","90","","2959.5","0.5","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 F6 Fe P -","- C28 H46 F6 Fe P -","- C112 H184 F24 Fe4 P4 -","4","1","","Funasako, Yusuke; Inagaki, Takashi; Mochida, Tomoyuki; Sakurai, Toshihiro; Ohta, Hitoshi; Furukawa, Ko; Nakamura, Toshikazu","Organometallic ionic liquids from alkyloctamethylferrocenium cations: thermal properties, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8317","8327","10.1039/c3dt00084b","","","0.71073","MoKα","","0.0546","0.0392","","","0.1061","0.1175","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021363","8.0742","0.0013","9.8377","0.0016","17.596","0.003","90.473","0.002","92.713","0.003","97.649","0.003","1383.5","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H46 Fe N O3 -","- C28 H46 Fe N O3 -","- C56 H92 Fe2 N2 O6 -","2","1","","Funasako, Yusuke; Inagaki, Takashi; Mochida, Tomoyuki; Sakurai, Toshihiro; Ohta, Hitoshi; Furukawa, Ko; Nakamura, Toshikazu","Organometallic ionic liquids from alkyloctamethylferrocenium cations: thermal properties, crystal structures, and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8317","8327","10.1039/c3dt00084b","","","0.71073","MoKα","","0.0403","0.0349","","","0.1051","0.1083","","","","","","1.091","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021364","17.3278","0.0004","17.3278","0.0004","9.1188","0.0003","90","","90","","120","","2371.13","0.11","150","","150","","","","","","","","","5","P 31 2 1","P 31 2""","152","catena((2,2'-dihydroxy-4,4'-dicarboxylato- bis(diethylformamido)-nickel(ii)) DEF-solvate)","catena{[2,2'-dihydroxy-4,4'-dicarboxylato-bis(diethylformamido)- nickel(II)] DEF-solvate}","","- C24 H28 N2 Ni O8 -","- C24 H28 N2 Ni O8 -","- C72 H84 N6 Ni3 O24 -","3","0.5","","Keene, Tony D.; Rankine, Damien; Evans, Jack D.; Southon, Peter D.; Kepert, Cameron J.; Aitken, Jade B.; Sumby, Christopher J.; Doonan, Christian J.","Solvent-modified dynamic porosity in chiral 3D kagome frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7871","7879","10.1039/c3dt00096f","","","0.7107","MoKα","","0.0948","0.0931","","","0.2582","0.2592","","","","","","1.228","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021365","17.2139","0.0003","17.2139","0.0003","8.524","0.0005","90","","90","","120","","2187.42","0.14","150","","150","2","","","","","","","","5","P 31 2 1","P 31 2""","152","catena((2,2'-dihydroxy-4,4'-dicarboxylato- bis(dimethylformamido)-nickel(ii)) DMF-solvate)","catena{[2,2'-dihydroxy-4,4'-dicarboxylato-bis(dimethylformamido)-nickel(II)] DMF-solvate}","","- C20 H20 N2 Ni O8 -","- C20 H20 N2 Ni O8 -","- C60 H60 N6 Ni3 O24 -","3","0.5","","Keene, Tony D.; Rankine, Damien; Evans, Jack D.; Southon, Peter D.; Kepert, Cameron J.; Aitken, Jade B.; Sumby, Christopher J.; Doonan, Christian J.","Solvent-modified dynamic porosity in chiral 3D kagome frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7871","7879","10.1039/c3dt00096f","","","0.71073","MoKα","","0.0491","0.0419","","","0.115","0.1185","","","","","","1.102","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021366","13.21","0.02","28.04","0.04","7.569","0.012","90","","90","","90","","2804","7","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H30 B20 Mn O6 -","- C8 H28 B20 Mn O6 -","- C32 H112 B80 Mn4 O24 -","4","1","","Fontanet, Mònica; Rodríguez, Montserrat; Romero, Isabel; Fontrodona, Xavier; Teixidor, Francesc; Viñas, Clara; Aliaga-Alcalde, Núria; Matějíček, Pavel","A water soluble Mn(ii) polymer with aqua metal bridges.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7838","7841","10.1039/c3dt00097d","","","0.71073","MoKα","","0.2081","0.0786","","","0.1969","0.2613","","","","","","1.022","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021367","14.5473","0.0014","14.77","0.0014","15.5876","0.0015","63.657","0.001","74.414","0.002","67.632","0.002","2755.4","0.5","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H146 B60 Mn3 O22 -","- C48 H146 B60 Mn3 O22 -","- C48 H146 B60 Mn3 O22 -","1","0.5","","Fontanet, Mònica; Rodríguez, Montserrat; Romero, Isabel; Fontrodona, Xavier; Teixidor, Francesc; Viñas, Clara; Aliaga-Alcalde, Núria; Matějíček, Pavel","A water soluble Mn(ii) polymer with aqua metal bridges.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7838","7841","10.1039/c3dt00097d","","","0.71073","MoKα","","0.1086","0.0625","","","0.1821","0.2076","","","","","","1.054","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021368","39.396","0.003","23.23","0.003","39.059","0.005","90","","114.353","0.003","90","","32565","6","173","2","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Cu26_metal phosphonate","","","- C206 H298 Cl6 Cu26 N4 O68 P18 -","- C206 H298 Cl6 Cu26 N4 O68 P18 -","- C824 H1192 Cl24 Cu104 N16 O272 P72 -","4","0.5","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Narayanan, Ramakirushnan Suriya; Butcher, Raymond J.; Lloret, Franscesc; Pardo, Emilio","A hexaicosametallic copper(ii) phosphonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8192","8196","10.1039/c3dt00103b","","","0.71073","MoKα","","0.1204","0.0739","","","0.1903","0.2114","","","","","","0.894","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021369","26.9936","0.0015","10.429","0.0019","18.542","0.0017","90","","107.509","0.004","90","","4978","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H37 N O2 -","- C29 H37 N O2 -","- C232 H296 N8 O16 -","8","1","","Suttil, James A.; Shaw, Miranda F.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Synthesis of Ti(iv) complexes of donor-functionalised phenoxy-imine tridentates and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9129","9138","10.1039/c3dt32465f","","","0.7107","Synchrotron","","0.0535","0.0486","","","0.1281","0.1321","","","","","","1.041","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021370","8.197","0.0018","16.344","0.003","16.526","0.002","90.003","0.002","103.428","0.005","103.65","0.007","2089.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.5 H25 Cl4 N O2 Ti -","- C16.5 H25 Cl4 N O2 Ti -","- C66 H100 Cl16 N4 O8 Ti4 -","4","2","","Suttil, James A.; Shaw, Miranda F.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Synthesis of Ti(iv) complexes of donor-functionalised phenoxy-imine tridentates and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9129","9138","10.1039/c3dt32465f","","","0.71085","Synchrotron","","0.0819","0.0796","","","0.2214","0.2232","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021371","22.585","0.002","22.585","0.002","16.175","0.0018","90","","90","","90","","8250.6","1.4","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C38.75 H49 Cl6 N O2 Ti -","- C38.75 H49 Cl6 N O2 Ti -","- C310 H392 Cl48 N8 O16 Ti8 -","8","1","","Suttil, James A.; Shaw, Miranda F.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Synthesis of Ti(iv) complexes of donor-functionalised phenoxy-imine tridentates and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9129","9138","10.1039/c3dt32465f","","","0.71073","Synchrotron","","0.0528","0.0433","","","0.1064","0.1127","","","","","","1.058","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021372","8.359","0.0009","9.533","0.0005","10.163","0.0005","86.07","0.005","67.242","0.006","67.192","0.006","685.24","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Cl4 N2 O4 Ti -","- C24 H34 Cl4 N2 O4 Ti -","- C24 H34 Cl4 N2 O4 Ti -","1","0.5","","Suttil, James A.; Shaw, Miranda F.; McGuinness, David S.; Gardiner, Michael G.; Evans, Stephen J.","Synthesis of Ti(iv) complexes of donor-functionalised phenoxy-imine tridentates and their evaluation in ethylene oligomerisation and polymerisation.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9129","9138","10.1039/c3dt32465f","","","0.70839","Synchrotron","","0.029","0.0281","","","0.0673","0.0677","","","","","","1.105","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021373","21.8677","0.0016","14.4922","0.001","58.575","0.004","90","","95.258","0.001","90","","18485","2","160","2","160","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88.5 H67 F40 N12 Pd Sn4 -","- C88.5 H67 F40 N12 Pd Sn4 -","- C708 H536 F320 N96 Pd8 Sn32 -","8","2","","Kireenko, Marina M.; Zaitsev, Kirill V.; Oprunenko, Yuri F.; Churakov, Andrei V.; Tafeenko, Viktor A.; Karlov, Sergey S.; Zaitseva, Galina S.","Palladium complexes with stabilized germylene and stannylene ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7901","7912","10.1039/c3dt32867h","","","0.71073","MoKα","","0.0729","0.0579","","","0.1658","0.1761","","","","","","1.149","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021374","12.0827","0.0005","11.7253","0.0004","16.1419","0.0006","90","","111.74","0.003","90","","2124.22","0.15","296","2","296","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cl2 F10 N3 Sn -","- C17 H11 Cl2 F10 N3 Sn -","- C68 H44 Cl8 F40 N12 Sn4 -","4","1","","Kireenko, Marina M.; Zaitsev, Kirill V.; Oprunenko, Yuri F.; Churakov, Andrei V.; Tafeenko, Viktor A.; Karlov, Sergey S.; Zaitseva, Galina S.","Palladium complexes with stabilized germylene and stannylene ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7901","7912","10.1039/c3dt32867h","","","1.54186","CuKα","","0.0651","0.0515","","","0.1321","0.1426","","","","","","0.982","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7021375","15.2818","0.0019","16.426","0.002","17.317","0.002","94.652","0.002","115.307","0.002","113.764","0.002","3423.8","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C75 H84 Ge4 N4 O8 Pd -","- C75 H84 Ge4 N4 O8 Pd -","- C150 H168 Ge8 N8 O16 Pd2 -","2","1","","Kireenko, Marina M.; Zaitsev, Kirill V.; Oprunenko, Yuri F.; Churakov, Andrei V.; Tafeenko, Viktor A.; Karlov, Sergey S.; Zaitseva, Galina S.","Palladium complexes with stabilized germylene and stannylene ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7901","7912","10.1039/c3dt32867h","","","0.71073","MoKα","","0.0503","0.0335","","","0.072","0.0764","","","","","","1.013","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021376","29.222","0.004","11.0428","0.0014","14.8017","0.0019","90","","110.719","0.002","90","","4467.5","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H58 N2 O4 Pd -","- C52 H58 N2 O4 Pd -","- C208 H232 N8 O16 Pd4 -","4","0.5","","Kireenko, Marina M.; Zaitsev, Kirill V.; Oprunenko, Yuri F.; Churakov, Andrei V.; Tafeenko, Viktor A.; Karlov, Sergey S.; Zaitseva, Galina S.","Palladium complexes with stabilized germylene and stannylene ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7901","7912","10.1039/c3dt32867h","","","0.71073","MoKα","","0.0418","0.0321","","","0.0921","0.0976","","","","","","1.077","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021377","58.4476","0.0005","18.5147","0.0002","18.2492","0.0002","90","","90","","90","","19748.2","0.3","183","2","183","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C80 H124 F8 Hg4 N16 O22 -","- C56 H60 F8 Hg4 N16 O22 -","- C448 H480 F64 Hg32 N128 O176 -","8","0.5","","Barceló-Oliver, Miquel; Baquero, Beatriz Adriana; Bauzá, Antonio; García-Raso, Angel; Vich, Roberto; Mata, Ignasi; Molins, Elies; Terrón, Angel; Frontera, Antonio","Experimental and theoretical studies on the coordination chemistry of the N(1)-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine).","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7631","7642","10.1039/c3dt32922d","","","0.7107","MoKα","","0.0764","0.0537","","","0.1126","0.1195","","","","","","1.204","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021378","9.534","0.003","11.142","0.005","12.049","0.007","67.25","0.05","76.51","0.04","85.53","0.03","1147.7","1","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C20 H28 Ag2 F2 N4 O4 -","- C20 H28 Ag2 F2 N4 O4 -","- C40 H56 Ag4 F4 N8 O8 -","2","1","","Barceló-Oliver, Miquel; Baquero, Beatriz Adriana; Bauzá, Antonio; García-Raso, Angel; Vich, Roberto; Mata, Ignasi; Molins, Elies; Terrón, Angel; Frontera, Antonio","Experimental and theoretical studies on the coordination chemistry of the N(1)-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine).","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7631","7642","10.1039/c3dt32922d","","x-ray","0.71073","MoKα","","0.0939","0.0488","","","0.1239","0.1436","","","","","","0.818","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021379","27.2789","0.0012","25.2623","0.0012","19.2793","0.0013","90","","134.58","0.005","90","","9463.2","1.2","183","2","183","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H64 Ag N9 O11 -","- C40 H64 Ag N9 O11 -","- C320 H512 Ag8 N72 O88 -","8","1","","Barceló-Oliver, Miquel; Baquero, Beatriz Adriana; Bauzá, Antonio; García-Raso, Angel; Vich, Roberto; Mata, Ignasi; Molins, Elies; Terrón, Angel; Frontera, Antonio","Experimental and theoretical studies on the coordination chemistry of the N(1)-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine).","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7631","7642","10.1039/c3dt32922d","","x-ray","0.7107","MoKα","","0.103","0.05","","","0.1158","0.1282","","","","","","0.949","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021380","12.185","0.003","15.052","0.003","14.481","0.006","90","","95.13","0.03","90","","2645.3","1.4","294","2","294","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 Br2 N6 O2 Zn -","- C20 H34 Br2 N6 O2 Zn -","- C80 H136 Br8 N24 O8 Zn4 -","4","0.5","","Barceló-Oliver, Miquel; Baquero, Beatriz Adriana; Bauzá, Antonio; García-Raso, Angel; Vich, Roberto; Mata, Ignasi; Molins, Elies; Terrón, Angel; Frontera, Antonio","Experimental and theoretical studies on the coordination chemistry of the N(1)-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine).","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7631","7642","10.1039/c3dt32922d","","x-ray","0.71073","MoKα","","0.1044","0.0501","","","0.092","0.1038","","","","","","0.995","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021381","12.425","0.002","15.0289","0.0017","14.569","0.002","90","","96.062","0.016","90","","2705.3","0.7","294","2","294","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H17 Br Cd0.5 N3 O -","- C10 H17 Br Cd0.5 N3 O -","- C80 H136 Br8 Cd4 N24 O8 -","8","1","","Barceló-Oliver, Miquel; Baquero, Beatriz Adriana; Bauzá, Antonio; García-Raso, Angel; Vich, Roberto; Mata, Ignasi; Molins, Elies; Terrón, Angel; Frontera, Antonio","Experimental and theoretical studies on the coordination chemistry of the N(1)-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine).","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7631","7642","10.1039/c3dt32922d","","x-ray","0.71073","MoKα","","0.0501","0.0351","","","0.0802","0.0851","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021382","9.577","0.004","10.269","0.004","27.27","0.05","90","","96.83","0.04","90","","2663","5","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H34 Br2 Hg N6 O2 -","- C20 H34 Br2 Hg N6 O2 -","- C80 H136 Br8 Hg4 N24 O8 -","4","1","","Barceló-Oliver, Miquel; Baquero, Beatriz Adriana; Bauzá, Antonio; García-Raso, Angel; Vich, Roberto; Mata, Ignasi; Molins, Elies; Terrón, Angel; Frontera, Antonio","Experimental and theoretical studies on the coordination chemistry of the N(1)-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine).","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7631","7642","10.1039/c3dt32922d","","x-ray","0.71073","MoKα","","0.2223","0.1188","","","0.3104","0.345","","","","","","1.075","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021383","12.27","0.02","15.025","0.013","14.512","0.013","90","","95.79","","90","","2662","5","294","2","294","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 Br2 Co N6 O2 -","- C20 H34 Br2 Co N6 O2 -","- C80 H136 Br8 Co4 N24 O8 -","4","0.5","","Barceló-Oliver, Miquel; Baquero, Beatriz Adriana; Bauzá, Antonio; García-Raso, Angel; Vich, Roberto; Mata, Ignasi; Molins, Elies; Terrón, Angel; Frontera, Antonio","Experimental and theoretical studies on the coordination chemistry of the N(1)-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine).","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7631","7642","10.1039/c3dt32922d","","x-ray","0.71073","MoKα","","0.2347","0.078","","","0.1316","0.1781","","","","","","0.843","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021384","12.2596","0.0003","18.5862","0.0005","12.4045","0.0003","90","","90","","90","","2826.48","0.12","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C19 H39 Cl3 N6 O3 P2 Ru S -","- C19 H37 Cl3 N6 O3 P2 Ru S -","- C76 H148 Cl12 N24 O12 P8 Ru4 S4 -","4","0.5","","Serrano-Ruiz, Manuel; Lorenzo-Luis, Pablo; Romerosa, Antonio; Mena-Cruz, Adrian","Catalytic isomerization of allylic alcohols in water by [RuClCp(PTA)2], [RuClCp(HPTA)2]Cl2·2H2O, [RuCp(DMSO-κS)(PTA)2]Cl, [RuCp(DMSO-κS)(PTA)2](OSO2CF3) and [RuCp(DMSO-κS)(HPTA)2]Cl3·2H2O.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7622","7630","10.1039/c3dt32998d","","","0.71073","MoKα","","0.0384","0.0338","","","0.0905","0.0931","","","","","","1.055","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021385","9.2375","0.0015","9.25","0.0015","15.217","0.003","81.471","0.004","80.635","0.003","87.202","0.003","1268.3","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H35 Cl3 N6 O2 P2 Ru -","- C17 H31 Cl2.999 N6 O2 P2 Ru -","- C34 H62 Cl5.998 N12 O4 P4 Ru2 -","2","1","","Serrano-Ruiz, Manuel; Lorenzo-Luis, Pablo; Romerosa, Antonio; Mena-Cruz, Adrian","Catalytic isomerization of allylic alcohols in water by [RuClCp(PTA)2], [RuClCp(HPTA)2]Cl2·2H2O, [RuCp(DMSO-κS)(PTA)2]Cl, [RuCp(DMSO-κS)(PTA)2](OSO2CF3) and [RuCp(DMSO-κS)(HPTA)2]Cl3·2H2O.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7622","7630","10.1039/c3dt32998d","","","0.71069","MoKα","","0.0777","0.0626","","","0.1669","0.1841","","","","","","1.097","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021386","7.6672","0.0009","23.6258","0.0017","10.9468","0.0011","90","0.001","96.389","0.012","90","0.012","1970.6","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H29 Rh -","- C25 H29 Rh -","- C100 H116 Rh4 -","4","2","","Laï, Richard; Daran, Jean-Claude; Nuel, Didier; Sanz, Martial; Summerton, Nick; Vanthuyne, Nicolas; Zaragori-Benedetti, Anaïs","Synthesis and reactivity of a cyclopentadienyl-indenyl ligand ring-coupled by a chiral bridge derived from ethyl (S)-(-) lactate.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7980","7990","10.1039/c3dt33019b","","","0.7107","MoKα","","0.021","0.0199","","","0.0495","0.0506","","","","","","1.02","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021387","8.2848","0.0005","23.825","0.0013","13.0062","0.0008","90","","90","","90","","2567.2","0.3","180","2","180","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 Rh2 -","- C33 H40 Rh2 -","- C132 H160 Rh8 -","4","1","","Laï, Richard; Daran, Jean-Claude; Nuel, Didier; Sanz, Martial; Summerton, Nick; Vanthuyne, Nicolas; Zaragori-Benedetti, Anaïs","Synthesis and reactivity of a cyclopentadienyl-indenyl ligand ring-coupled by a chiral bridge derived from ethyl (S)-(-) lactate.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7980","7990","10.1039/c3dt33019b","","","0.71073","MoKα","","0.0758","0.0559","","","0.1068","0.1145","","","","","","1.047","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021388","8.4899","0.0001","16.1856","0.0003","19.8846","0.0004","90","","90","","90","","2732.42","0.08","","","300","","","","","","","","","6","I b a 2","I 2 -2c","45","ZBP-K","","","- C12 H12 K2 O21 P6 Zn5 -","- C12 H6 K2 O21 P6 Zn5 -","- C48 H24 K8 O84 P24 Zn20 -","4","0.5","","Maeda, Kazuyuki; Takamatsu, Ryohei; Mochizuki, Miki; Kawawa, Kanako; Kondo, Atsushi","Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate open-frameworks by topotactic pillaring of anionic layers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10424","10432","10.1039/c3dt33037k","powder diffraction","","0.99752","synchrotron","","0.01529","","","","","","0.01526","0.01782","1.0719","","","","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021389","16.1861","0.0004","8.5394","0.0002","20.0976","0.0007","90","","90","","90","","2777.88","0.14","","","300","","","","","","","","","6","P c c n","-P 2ab 2ac","56","ZBP-Rb","","","- C12 H10.88 O20.44 P6 Rb2 Zn5 -","- C12 H6 O20.444 P6 Rb2 Zn5 -","- C48 H24 O81.776 P24 Rb8 Zn20 -","4","0.5","","Maeda, Kazuyuki; Takamatsu, Ryohei; Mochizuki, Miki; Kawawa, Kanako; Kondo, Atsushi","Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate open-frameworks by topotactic pillaring of anionic layers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10424","10432","10.1039/c3dt33037k","powder diffraction","","0.99752","synchrotron","","0.01224","","","","","","0.01348","0.01745","1.7324","","","","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021390","16.1877","0.0003","8.5356","0.0002","20.2585","0.0004","90","","90","","90","","2799.15","0.1","","","300","","","","","","","","","6","P b c n","-P 2n 2ab","60","ZBP-Cs","","","- C12 H8.44 Cs2 O19.22 P6 Zn5 -","- C12 H6 Cs2 O19.218 P6 Zn5 -","- C48 H24 Cs8 O76.872 P24 Zn20 -","4","0.5","","Maeda, Kazuyuki; Takamatsu, Ryohei; Mochizuki, Miki; Kawawa, Kanako; Kondo, Atsushi","Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate open-frameworks by topotactic pillaring of anionic layers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10424","10432","10.1039/c3dt33037k","powder diffraction","","0.99752","synchrotron","","0.01138","","","","","","0.01233","0.01912","1.8267","","","","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021391","8.5337","0.0002","16.1764","0.0003","19.9903","0.0005","90","","90","","90","","2759.55","0.11","","","300","","","","","","","","","6","I b a 2","I 2 -2c","45","ZBP-NH4","","","- C12 H18 N2 O21 P6 Zn5 -","- C12 H6 N2 O21 P6 Zn5 -","- C48 H24 N8 O84 P24 Zn20 -","4","0.5","","Maeda, Kazuyuki; Takamatsu, Ryohei; Mochizuki, Miki; Kawawa, Kanako; Kondo, Atsushi","Formation of zeolite-like zinc 1,3,5-benzenetriphosphonate open-frameworks by topotactic pillaring of anionic layers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10424","10432","10.1039/c3dt33037k","powder diffraction","","0.9986","synchrotron","","0.0122","","","","","","0.01357","0.01958","0.6908","","","","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021392","15.22","0.03","15.72","0.03","18.26","0.03","84.17","0.03","75.17","0.02","77.17","0.03","4113","13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H74 N4 -","- C56 H74 N4 -","- C168 H222 N12 -","3","1.5","","Li, Meng; Hong, Jianquan; Chen, Zhenxia; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of dinuclear rare earth metal bis(o-aminobenzyl) complexes bearing a 1,4-phenylenediamidinate co-ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8288","8297","10.1039/c3dt33040k","","","0.71073","MoKα","","0.1306","0.0753","","","0.17","0.1825","","","","","","1.002","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021393","19.567","0.008","42.621","0.016","15.651","0.006","90","","93.747","0.005","90","","13024","9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C128 H156 Lu2 N12 O6 -","- C128 H156 Lu2 N12 O6 -","- C512 H624 Lu8 N48 O24 -","4","0.5","","Li, Meng; Hong, Jianquan; Chen, Zhenxia; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of dinuclear rare earth metal bis(o-aminobenzyl) complexes bearing a 1,4-phenylenediamidinate co-ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8288","8297","10.1039/c3dt33040k","","","0.71073","MoKα","","0.0986","0.0513","","","0.1034","0.1112","","","","","","1.003","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021394","11.625","0.003","36.414","0.01","63.656","0.018","90","","90","","90","","26946","13","293","2","293","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C120 H140 N12 S4 Y2 -","- C120 H140 N12 S4 Y2 -","- C960 H1120 N96 S32 Y16 -","8","","","Li, Meng; Hong, Jianquan; Chen, Zhenxia; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of dinuclear rare earth metal bis(o-aminobenzyl) complexes bearing a 1,4-phenylenediamidinate co-ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8288","8297","10.1039/c3dt33040k","","","0.71073","MoKα","","0.0913","0.0542","","","0.1259","0.1342","","","","","","1.003","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021395","12.9857","0.0016","19.268","0.002","13.4096","0.0017","90","","110.856","0.002","90","","3135.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 B Cl N2 -","- C36 H40 B Cl N2 -","- C144 H160 B4 Cl4 N8 -","4","1","","Fedushkin, Igor L.; Markina, Olga V.; Lukoyanov, Anton N.; Morozov, Alexander G.; Baranov, Evgenii V.; Maslov, Maxim O.; Ketkov, Sergey Yu","Boron complexes of redox-active diimine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7952","7961","10.1039/c3dt33055a","","","0.71073","MoKα","","0.1548","0.1287","","","0.3196","0.3389","","","","","","1.246","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021396","12.8866","0.0012","18.7947","0.0017","13.3897","0.0012","90","","110.201","0.002","90","","3043.5","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B N2 O -","- C36 H41 B N2 O -","- C144 H164 B4 N8 O4 -","4","1","","Fedushkin, Igor L.; Markina, Olga V.; Lukoyanov, Anton N.; Morozov, Alexander G.; Baranov, Evgenii V.; Maslov, Maxim O.; Ketkov, Sergey Yu","Boron complexes of redox-active diimine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7952","7961","10.1039/c3dt33055a","","","0.71073","MoKα","","0.1645","0.0852","","","0.1954","0.2267","","","","","","1.008","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021397","10.9275","0.0007","12.8248","0.0009","13.0157","0.0009","94.55","0.002","113.461","0.001","108.675","0.002","1539.63","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H42 B N3 -","- C36 H42 B N3 -","- C72 H84 B2 N6 -","2","1","","Fedushkin, Igor L.; Markina, Olga V.; Lukoyanov, Anton N.; Morozov, Alexander G.; Baranov, Evgenii V.; Maslov, Maxim O.; Ketkov, Sergey Yu","Boron complexes of redox-active diimine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7952","7961","10.1039/c3dt33055a","","","0.71073","MoKα","","0.1023","0.0591","","","0.1384","0.1536","","","","","","1.016","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021398","12.8332","0.0013","18.739","0.002","13.4197","0.0014","90","","109.425","0.003","90","","3043.5","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H41 B N2 -","- C36 H41 B N2 -","- C144 H164 B4 N8 -","4","1","","Fedushkin, Igor L.; Markina, Olga V.; Lukoyanov, Anton N.; Morozov, Alexander G.; Baranov, Evgenii V.; Maslov, Maxim O.; Ketkov, Sergey Yu","Boron complexes of redox-active diimine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7952","7961","10.1039/c3dt33055a","","","0.71073","MoKα","","0.1685","0.0807","","","0.1914","0.2279","","","","","","0.934","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7021399","6.2103","0.0003","28.8447","0.0018","11.4023","0.0007","90","","103.148","0.001","90","","1989","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 B F4 N4 Ni -","- C20 H23 B F4 N4 Ni -","- C80 H92 B4 F16 N16 Ni4 -","4","1","","Wilson Née Sanyal, Rajni K; Brooker, Sally","Complexes of a porphyrin-like N4-donor Schiff-base macrocycle.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7913","7923","10.1039/c3dt33057e","","","0.71073","MoKα","","0.0531","0.0398","","","0.0983","0.1184","","","","","","1.116","","","","has coordinates","179918","2020-10-21","18:00:00",""
"7021400","13.422","0.0012","13.2166","0.0011","26.809","0.002","90","","98.708","0.005","90","","4700.9","0.7","92","2","92","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22.15 H23.6 Fe N6 O0.35 S2 -","- C22.15 H23.6 Fe N6 O0.35 S2 -","- C177.2 H188.8 Fe8 N48 O2.8 S16 -","8","2","","Wilson Née Sanyal, Rajni K; Brooker, Sally","Complexes of a porphyrin-like N4-donor Schiff-base macrocycle.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7913","7923","10.1039/c3dt33057e","","","0.71073","MoKα","","0.0781","0.0555","","","0.1533","0.1649","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021401","11.9125","0.0001","14.0434","0.0002","14.9513","0.0002","99.7056","0.0008","109.472","0.0008","90.8606","0.0008","2317.59","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H60 N2 Pb2 S4 -","- C45 H60 N2 Pb2 S4 -","- C90 H120 N4 Pb4 S8 -","2","1","","Rossini, Aaron J.; Macgregor, Alan W.; Smith, Anita S.; Schatte, Gabriele; Schurko, Robert W.; Briand, Glen G.","Structural variation in ethylenediamine and -diphosphine adducts of (2,6-Me2C6H3S)2Pb: a single crystal X-ray diffraction and (207)Pb solid-state NMR spectroscopy study.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9533","9546","10.1039/c3dt33070b","","","0.71073","MoKα","","0.0308","0.0236","","","0.048","0.0506","","","","","","1.074","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021402","20.2754","0.0002","20.1016","0.0002","18.9169","0.0002","90","","114.68","0.0006","90","","7005.65","0.13","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H70 P2 Pb3 S6 -","- C54 H70 P2 Pb3 S6 -","- C216 H280 P8 Pb12 S24 -","4","0.5","","Rossini, Aaron J.; Macgregor, Alan W.; Smith, Anita S.; Schatte, Gabriele; Schurko, Robert W.; Briand, Glen G.","Structural variation in ethylenediamine and -diphosphine adducts of (2,6-Me2C6H3S)2Pb: a single crystal X-ray diffraction and (207)Pb solid-state NMR spectroscopy study.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9533","9546","10.1039/c3dt33070b","","","0.71073","MoKα","","0.0475","0.0314","","","0.068","0.0734","","","","","","1.013","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021403","10.0551","0.0002","11.3774","0.0002","12.8875","0.0003","87.0455","0.0009","71.5348","0.001","81.6016","0.0007","1383.42","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H60 P2 Pb2 S4 -","- C58 H60 P2 Pb2 S4 -","- C58 H60 P2 Pb2 S4 -","1","0.5","","Rossini, Aaron J.; Macgregor, Alan W.; Smith, Anita S.; Schatte, Gabriele; Schurko, Robert W.; Briand, Glen G.","Structural variation in ethylenediamine and -diphosphine adducts of (2,6-Me2C6H3S)2Pb: a single crystal X-ray diffraction and (207)Pb solid-state NMR spectroscopy study.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9533","9546","10.1039/c3dt33070b","","","0.71073","MoKα","","0.049","0.0381","","","0.0731","0.0766","","","","","","1.049","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021404","9.5563","0.0004","9.6307","0.0004","12.6223","0.0005","83.241","0.002","74.191","0.002","76.385","0.003","1084.55","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H36 F3 N5 O7 Ru -","- C50 H36 F3 N5 O7 Ru -","- C50 H36 F3 N5 O7 Ru -","1","0.5","","Awasabisah, Dennis; Xu, Nan; Sharmah Gautam, Krishna P.; Powell, Douglas R.; Shaw, Michael J.; Richter-Addo, George B","Stable ruthenium nitrosyl porphyrins with axial O-bonded ligands; preparation and redox behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8537","8540","10.1039/c3dt33109a","","","0.71073","MoKα","","0.0694","0.0691","","","0.1927","0.1928","","","","","","1.084","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021405","9.4322","0.0006","16.233","0.0011","18.0081","0.0012","72.59","0.002","78.034","0.002","74","0.003","2505.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H51 F4 N5 O6 Ru -","- C60 H51 F4 N5 O6 Ru -","- C120 H102 F8 N10 O12 Ru2 -","2","1","","Awasabisah, Dennis; Xu, Nan; Sharmah Gautam, Krishna P.; Powell, Douglas R.; Shaw, Michael J.; Richter-Addo, George B","Stable ruthenium nitrosyl porphyrins with axial O-bonded ligands; preparation and redox behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8537","8540","10.1039/c3dt33109a","","","0.71073","MoKα","","0.0893","0.0617","","","0.1683","0.1954","","","","","","1.005","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021406","14.012","0.005","11.196","0.003","17.9","0.005","90","","123.857","0.013","90","","2332","1.3","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","PhNHCOC6H3(SCO-t-Bu)2","","- C23 H27 N O3 S2 -","- C23 H27 N O3 S2 -","- C92 H108 N4 O12 S8 -","4","1","","Okamura, Taka-Aki; Kunisue, Kumiko; Omi, Yui; Onitsuka, Kiyotaka","Strong NHS hydrogen bonds in molybdoenzyme models containing anilide moieties.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7569","7578","10.1039/c3dt50139f","","","0.71075","MoKα","","0.0568","0.0424","","","0.1034","0.1108","","","","","","1.037","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021407","11.909","0.003","11.927","0.002","25.783","0.005","90.737","0.003","97.335","0.004","90.051","0.003","3631.9","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 Cl4 N4 Ni2 S8 -","- C30 H20 Cl4 N4 Ni2 S8 -","- C120 H80 Cl16 N16 Ni8 S32 -","4","2","","Cui, Hong-Hua; Wang, Jin-Yun; Hu, Ming-Qiang; Ma, Cheng-Bing; Wen, Hui-Min; Song, Xiao-Wei; Chen, Chang-Neng","Efficient photo-driven hydrogen evolution by binuclear nickel catalysts of different coordination in noble-metal-free systems.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8684","8691","10.1039/c3dt50140j","","","0.71073","MoKα","","0.0724","0.052","","","0.1464","0.1781","","","","","","1.062","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021408","9.7978","0.001","12.9032","0.0014","17.8446","0.0019","95.784","0.001","98.284","0.001","104.656","0.001","2137.5","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H80 Cu4 Eu2 N20 O31 W2 -","- C71 H77 Cu4 Eu2 N20 O31 W2 -","- C71 H77 Cu4 Eu2 N20 O31 W2 -","1","0.5","","Song, Xiao-Jiao; Zhang, Zai-Chao; Xu, Yong-Lu; Wang, Jun; Zhou, Hong-Bo; Song, You","Assembling 1D magnetic chain based on octacyanotungstate(v) and [Cu2L2Ln] sub-building units (Ln = Eu, Gd, Tb and Dy).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9505","9512","10.1039/c3dt50173f","","","0.71073","MoKα","","0.0469","0.0367","","","0.0917","0.098","","","","","","1.079","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021409","9.8007","0.0014","12.9131","0.0018","17.873","0.003","95.901","0.002","98.437","0.002","104.623","0.002","2141.8","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H80 Cu4 Gd2 N20 O31 W2 -","- C71 H77 Cu4 Gd2 N20 O31 W2 -","- C71 H77 Cu4 Gd2 N20 O31 W2 -","1","0.5","","Song, Xiao-Jiao; Zhang, Zai-Chao; Xu, Yong-Lu; Wang, Jun; Zhou, Hong-Bo; Song, You","Assembling 1D magnetic chain based on octacyanotungstate(v) and [Cu2L2Ln] sub-building units (Ln = Eu, Gd, Tb and Dy).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9505","9512","10.1039/c3dt50173f","","","0.71073","MoKα","","0.0491","0.0379","","","0.1011","0.1091","","","","","","1.06","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021410","9.7851","0.0009","12.907","0.0012","17.8866","0.0017","95.714","0.001","98.476","0.001","104.813","0.001","2137.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H80 Cu4 N20 O31 Tb2 W2 -","- C71 H77 Cu4 N20 O31 Tb2 W2 -","- C71 H77 Cu4 N20 O31 Tb2 W2 -","1","0.5","","Song, Xiao-Jiao; Zhang, Zai-Chao; Xu, Yong-Lu; Wang, Jun; Zhou, Hong-Bo; Song, You","Assembling 1D magnetic chain based on octacyanotungstate(v) and [Cu2L2Ln] sub-building units (Ln = Eu, Gd, Tb and Dy).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9505","9512","10.1039/c3dt50173f","","","0.71073","MoKα","","0.0545","0.0367","","","0.0817","0.0897","","","","","","1.039","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021411","9.794","0.0013","12.8961","0.0017","17.868","0.002","95.573","0.002","98.348","0.002","104.862","0.002","2136.8","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H80 Cu4 Dy2 N20 O31 W2 -","- C71 H77 Cu4 Dy2 N20 O31 W2 -","- C71 H77 Cu4 Dy2 N20 O31 W2 -","1","0.5","","Song, Xiao-Jiao; Zhang, Zai-Chao; Xu, Yong-Lu; Wang, Jun; Zhou, Hong-Bo; Song, You","Assembling 1D magnetic chain based on octacyanotungstate(v) and [Cu2L2Ln] sub-building units (Ln = Eu, Gd, Tb and Dy).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9505","9512","10.1039/c3dt50173f","","","0.71073","MoKα","","0.0532","0.0413","","","0.1004","0.1072","","","","","","1.123","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021412","14.7702","0.0005","14.9866","0.0006","15.7271","0.0008","109.52","0.004","93.854","0.004","115.671","0.004","2863.8","0.3","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H46 Eu2 N4 O18 Zn2 -","- C43 H46 Eu2 N4 O18 Zn2 -","- C86 H92 Eu4 N8 O36 Zn4 -","2","1","","Zhang, Bin; Zheng, Xiaodu; Su, Hao; Zhu, Yu; Du, Chenxia; Song, Maoping","Efficient fixation of atmospheric CO2 as carbonate by lanthanide-based complex via synergistic effect of zinc ion.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8571","8574","10.1039/c3dt50230a","","","0.7107","MoKα","","0.0951","0.0524","","","0.1213","0.1373","","","","","","1.03","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021413","13.9152","0.0016","13.9152","0.0016","13.9152","0.0016","90","","90","","90","","2694.4","0.5","293","2","293","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C12 H24 Cu4 I6 N4 -","- C11.88 Cu4 I6.03 N4 -","- C47.52 Cu16 I24.12 N16 -","4","0.0416667","","Xin, Bingjing; Zeng, Guang; Gao, Lu; Li, Yun; Xing, Shanghua; Hua, Jia; Li, Guanghua; Shi, Zhan; Feng, Shouhua","An unusual copper(i) halide-based metal-organic framework with a cationic framework exhibiting the release/adsorption of iodine, ion-exchange and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7562","7568","10.1039/c3dt50238d","","","0.71073","MoKα","","0.043","0.0414","","","0.1095","0.1103","","","","","","1.154","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021414","26.0634","0.0005","26.0634","0.0005","26.0634","0.0005","90","","90","","90","","17704.9","0.6","273","2","273","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C12 H12 Cu3 Mo12 N6 O44 P -","- C12 H12 Cu3 Mo12 N6 O44 P -","- C192 H192 Cu48 Mo192 N96 O704 P16 -","16","0.166667","","Qi, Ming-Li; Yu, Kai; Su, Zhan-Hua; Wang, Chun-Xiao; Wang, Chun-Mei; Zhou, Bai-Bin; Zhu, Chun-Cheng","Three new three-dimensional organic-inorganic hybrid compounds based on PMo12O40(n-) (n = 3 or 4) polyanions and Cu(I)-pyrazine/Cu(I)-pyrazine-Cl porous coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7586","7594","10.1039/c3dt50271f","","","0.71073","MoKα","","0.0625","0.0611","","","0.1544","0.1554","","","","","","1.174","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021415","11.6554","0.0008","13.4045","0.0009","20.6797","0.0013","89.141","0.001","76.439","0.001","67.332","0.001","2887.9","0.3","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H24 Cl Cu5 Mo12 N11 O46 P -","- C24 H24 Cl Cu5 Mo12 N11 O46 P -","- C48 H48 Cl2 Cu10 Mo24 N22 O92 P2 -","2","1","","Qi, Ming-Li; Yu, Kai; Su, Zhan-Hua; Wang, Chun-Xiao; Wang, Chun-Mei; Zhou, Bai-Bin; Zhu, Chun-Cheng","Three new three-dimensional organic-inorganic hybrid compounds based on PMo12O40(n-) (n = 3 or 4) polyanions and Cu(I)-pyrazine/Cu(I)-pyrazine-Cl porous coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7586","7594","10.1039/c3dt50271f","","","0.71073","MoKα","","0.0569","0.0511","","","0.1234","0.1265","","","","","","1.166","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021416","12.031","0.0019","12.0436","0.0019","12.293","0.002","97.574","0.002","114.616","0.002","98.026","0.002","1567.4","0.4","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 Cu4 Mo12 N14 O46 P -","- C28 H28 Cu4 Mo12 N14 O46 P -","- C28 H28 Cu4 Mo12 N14 O46 P -","1","0.5","","Qi, Ming-Li; Yu, Kai; Su, Zhan-Hua; Wang, Chun-Xiao; Wang, Chun-Mei; Zhou, Bai-Bin; Zhu, Chun-Cheng","Three new three-dimensional organic-inorganic hybrid compounds based on PMo12O40(n-) (n = 3 or 4) polyanions and Cu(I)-pyrazine/Cu(I)-pyrazine-Cl porous coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7586","7594","10.1039/c3dt50271f","","","0.71073","MoKα","","0.0747","0.0679","","","0.1774","0.1816","","","","","","1.1","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021417","12.6721","0.0005","21.13","0.0018","16.163","0.0009","90","","127.645","0.004","90","","3426.8","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl N2 O2 Sn -","- C37 H41 Cl N2 O2 Sn -","- C148 H164 Cl4 N8 O8 Sn4 -","4","1","","Padělková, Zdeňka; Svec, Petr; Pejchal, Vladimír; Růžička, Aleš","Activation of E-Cl bonds (E = C, Si, Ge and Sn) by a C,N-chelated stannylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7660","7671","10.1039/c3dt50278c","","","0.71073","MoKα","","0.072","0.0402","","","0.0743","0.0915","","","","","","1.111","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021418","9.518","0.0012","9.581","0.0005","23.3921","0.0012","78.972","0.004","81.579","0.006","60.585","0.007","1820.4","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cl2 N4 O Sn2 -","- C36 H48 Cl2 N4 O Sn2 -","- C72 H96 Cl4 N8 O2 Sn4 -","2","1","","Padělková, Zdeňka; Svec, Petr; Pejchal, Vladimír; Růžička, Aleš","Activation of E-Cl bonds (E = C, Si, Ge and Sn) by a C,N-chelated stannylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7660","7671","10.1039/c3dt50278c","","","0.71073","MoKα","","0.0858","0.0393","","","0.0535","0.0625","","","","","","1.046","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021419","9.155","0.0006","9.4191","0.0005","11.4639","0.0009","66.266","0.005","79.64","0.005","63.335","0.004","808.7","0.1","150","1","150","1","","","","","","","","7","P 1","P 1","1","","","","- C36 H39 Cl N2 O Si Sn -","- C36 H39 Cl N2 O Si Sn -","- C36 H39 Cl N2 O Si Sn -","1","1","","Padělková, Zdeňka; Svec, Petr; Pejchal, Vladimír; Růžička, Aleš","Activation of E-Cl bonds (E = C, Si, Ge and Sn) by a C,N-chelated stannylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7660","7671","10.1039/c3dt50278c","","","0.71073","MoKα","","0.0337","0.0329","","","0.0802","0.081","","","","","","1.055","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021420","12.746","0.0008","9.9541","0.0008","18.325","0.0014","90","","94.748","0.005","90","","2317","0.3","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl N2 O Sn -","- C25 H29 Cl N2 O Sn -","- C100 H116 Cl4 N8 O4 Sn4 -","4","1","","Padělková, Zdeňka; Svec, Petr; Pejchal, Vladimír; Růžička, Aleš","Activation of E-Cl bonds (E = C, Si, Ge and Sn) by a C,N-chelated stannylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7660","7671","10.1039/c3dt50278c","","","0.71073","MoKα","","0.042","0.0289","","","0.0544","0.0605","","","","","","1.079","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021421","16.001","0.0007","16.001","0.0007","17.4671","0.0015","90","","90","","120","","3873","0.4","150","1","150","1","","","","","","","","5","P 63","P 6c","173","","","","- C72 H60 Ge4 O8 Sn6 -","- C72 H60 Ge4 O8 Sn6 -","- C144 H120 Ge8 O16 Sn12 -","2","0.333333","","Padělková, Zdeňka; Svec, Petr; Pejchal, Vladimír; Růžička, Aleš","Activation of E-Cl bonds (E = C, Si, Ge and Sn) by a C,N-chelated stannylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7660","7671","10.1039/c3dt50278c","","","0.71073","MoKα","","0.0459","0.0342","","","0.0673","0.0723","","","","","","1.056","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021422","7.3312","0.0007","13.9288","0.0012","19.6479","0.0019","90","","90","","90","","2006.3","0.3","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 Ga N3 O6 -","- C20 H26 Ga N3 O6 -","- C80 H104 Ga4 N12 O24 -","4","1","","Parker, David; Waldron, Bradley P.; Yufit, Dmitry S.","Crystallographic and solution NMR structural analyses of four hexacoordinated gallium(iii) complexes based on ligands derived from 6-amino-perhydro-1,4-diazepine.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8001","8008","10.1039/c3dt50287b","","x-ray","1.54188","CuKα","","0.0533","0.0477","","","0.1195","0.1237","","","","","","1.086","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021423","8.8084","0.0015","17.251","0.003","11.59","0.003","90","","105.709","0.015","90","","1695.4","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","97229z","","","- C38 H37 Cl2 N P2 Ru -","- C38 H37 Cl2 N P2 Ru -","- C76 H74 Cl4 N2 P4 Ru2 -","2","1","","Ma, Erin S. F.; Mudalige, Dona C.; Patrick, Brian O.; James, Brian R.","Comparative properties of coordinated H2 and H2S at a ruthenium(ii) centre.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7614","7621","10.1039/c3dt50314c","","","0.71073","MoKα","","0.0216","0.0208","","","0.053","0.0534","","","","","","1.022","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021424","15.7783","0.0007","22.34","0.0009","25.1607","0.0014","90","","90","","90","","8868.8","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H131 Co N13 O30 P -","- C73 H131 Co N13 O30 P -","- C292 H524 Co4 N52 O120 P4 -","4","1","","Perry, Christopher B.; Shin, Naree; Fernandes, Manuel A.; Marques, Helder M.","Phenylvinylcobalamin: an alkenylcobalamin featuring a ligand with a large trans influence.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7555","7561","10.1039/c3dt50336d","","","0.71073","MoKα","","0.1631","0.0954","","","0.2504","0.2898","","","","","","0.992","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021425","16.5776","0.0019","4.818","0.0005","21.372","0.003","90","","91.799","0.01","90","","1706.2","0.4","291","2","291","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 N3 O2 -","- C20 H17 N3 O2 -","- C80 H68 N12 O8 -","4","1","","Kumar, Ravinder; Mahiya, Kuldeep; Mathur, Pavan","Dimeric copper(ii) complex of a new Schiff base ligand: Effect of morphology on the catalytic oxidation of aromatic alcohol.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8553","8557","10.1039/c3dt50348h","","","0.71073","MoKα","","0.1104","0.0699","","","0.1427","0.158","","","","","","1.13","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021426","11.1837","0.0007","10.1047","0.0006","15.9112","0.001","90","","95.206","0.006","90","","1790.67","0.19","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Cu2 N8 O8 -","- C40 H32 Cu2 N8 O8 -","- C80 H64 Cu4 N16 O16 -","2","0.5","","Kumar, Ravinder; Mahiya, Kuldeep; Mathur, Pavan","Dimeric copper(ii) complex of a new Schiff base ligand: Effect of morphology on the catalytic oxidation of aromatic alcohol.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8553","8557","10.1039/c3dt50348h","","","0.71073","MoKα","","0.0372","0.0335","","","0.0859","0.0883","","","","","","1.097","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021427","13.264","0.003","14.531","0.003","15.136","0.003","75.06","0.03","74","0.03","85.09","0.03","2709.2","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C112 H86 N12 O6 Zn2 -","- C112 H86 N12 O6 Zn2 -","- C112 H86 N12 O6 Zn2 -","1","0.5","","Jiang, Jiaxun; Feng, Zhiqiang; Liu, Baozhen; Hu, Chuanjiang; Wang, Yong","Chiral recognition of amino acid esters by a novel oxalic amide-linked bisporphyrin.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7651","7659","10.1039/c3dt50380a","","","0.71073","MoKα","","0.0919","0.0766","","","0.2293","0.2455","","","","","","1.105","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021428","8.7712","0.0007","11.9189","0.0009","16.727","0.0013","90","","101.522","0.0009","90","","1713.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 Co N2 O11 -","- C13 H17 Co N2 O11 -","- C52 H68 Co4 N8 O44 -","4","1","","Yan, Wei-Hong; Bao, Song-Song; Huang, Jian; Ren, Min; Sheng, Xiao-Li; Cai, Zhong-Sheng; Lu, Chang-Sheng; Meng, Qing-Jin; Zheng, Li-Min","Co(ii) and Ni(ii) complexes based on anthraquinone-1,4,5,8-tetracarboxylic acid (H4AQTC): canted antiferromagnetism and slow magnetization relaxation in {[Co2(AQTC)(H2O)6]·6H2O}.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8241","8248","10.1039/c3dt50381j","","","0.71073","MoKα","","0.0446","0.031","","","0.0684","0.0744","","","","","","1.028","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021429","8.743","0.0006","11.899","0.0008","16.6418","0.0011","90","","101.83","0.001","90","","1694.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N2 Ni O11 -","- C13 H17 N2 Ni O11 -","- C52 H68 N8 Ni4 O44 -","4","1","","Yan, Wei-Hong; Bao, Song-Song; Huang, Jian; Ren, Min; Sheng, Xiao-Li; Cai, Zhong-Sheng; Lu, Chang-Sheng; Meng, Qing-Jin; Zheng, Li-Min","Co(ii) and Ni(ii) complexes based on anthraquinone-1,4,5,8-tetracarboxylic acid (H4AQTC): canted antiferromagnetism and slow magnetization relaxation in {[Co2(AQTC)(H2O)6]·6H2O}.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8241","8248","10.1039/c3dt50381j","","","0.71073","MoKα","","0.0374","0.0278","","","0.0645","0.0691","","","","","","1","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021430","10.5379","0.0012","32.858","0.004","7.903","0.0009","90","","99.607","0.001","90","","2698.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Co2 O22 -","- C18 H28 Co2 O22 -","- C72 H112 Co8 O88 -","4","1","","Yan, Wei-Hong; Bao, Song-Song; Huang, Jian; Ren, Min; Sheng, Xiao-Li; Cai, Zhong-Sheng; Lu, Chang-Sheng; Meng, Qing-Jin; Zheng, Li-Min","Co(ii) and Ni(ii) complexes based on anthraquinone-1,4,5,8-tetracarboxylic acid (H4AQTC): canted antiferromagnetism and slow magnetization relaxation in {[Co2(AQTC)(H2O)6]·6H2O}.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8241","8248","10.1039/c3dt50381j","","","0.71073","MoKα","","0.0613","0.0488","","","0.1222","0.1292","","","","","","1.057","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021431","12.6054","0.0001","25.6456","0.0002","41.9115","0.0004","90","","90","","90","","13548.9","0.2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H70 Cl6 Fe2 N8 S6 Sn4 -","- C51 H70 Cl6 Fe2 N8 S6 Sn4 -","- C408 H560 Cl48 Fe16 N64 S48 Sn32 -","8","2","","You, Zhiliang; Fenske, Dieter; Dehnen, Stefanie","Modification of Sn/S cages with bis-functionalized ferrocenyl units.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8179","8182","10.1039/c3dt50386k","","","0.71073","MoKα","","0.0431","0.0396","","","0.1062","0.1081","","","","","","1.036","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021432","15.731","","24.753","","21.079","","90","","111.58","","90","","7632.6","","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C53 H74 Cl10 Fe2 N8 O4 S6 Sn4 -","- C53 H74 Cl10 Fe2 N8 O4 S6 Sn4 -","- C212 H296 Cl40 Fe8 N32 O16 S24 Sn16 -","4","1","","You, Zhiliang; Fenske, Dieter; Dehnen, Stefanie","Modification of Sn/S cages with bis-functionalized ferrocenyl units.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8179","8182","10.1039/c3dt50386k","","","0.71073","MoKα","","0.0901","0.0431","","","0.1017","0.1058","","","","","","0.816","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021433","10.4812","0.0006","11.5797","0.0006","12.8934","0.0007","85.081","0.001","73.836","0.001","86.555","0.001","1496.39","0.14","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 Cl F12 O8 Pd2 -","- C23 H20 Cl F12 O8 Pd2 -","- C46 H40 Cl2 F24 O16 Pd4 -","2","1","","Sato, Hisako; Morimoto, Kazuya; Mori, Yukie; Shinagawa, Yuji; Kitazawa, Takafumi; Yamagishi, Akihiko","Axially chiral monomeric and dimeric square planar Pd(ii) complexes and their application to chiral tectonics.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7579","7585","10.1039/c3dt50420d","","","0.71073","MoKα","","0.0634","0.048","","","0.0905","0.0966","","","","","","1.078","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021434","11.32","0.005","33.405","0.013","15.802","0.006","90","","90","","90","","5975","4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H30 O8 Pd2 -","- C30 H30 O8 Pd2 -","- C240 H240 O64 Pd16 -","8","1","","Sato, Hisako; Morimoto, Kazuya; Mori, Yukie; Shinagawa, Yuji; Kitazawa, Takafumi; Yamagishi, Akihiko","Axially chiral monomeric and dimeric square planar Pd(ii) complexes and their application to chiral tectonics.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7579","7585","10.1039/c3dt50420d","","","0.71073","MoKα","","0.1452","0.0635","","","0.1579","0.1953","","","","","","0.713","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021435","23.5913","0.0005","23.5913","0.0005","13.7609","0.0006","90","","90","","120","","6632.6","0.4","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C10 H16 Co N4 O8 S -","- C10 H16 Co N4 O8 S -","- C180 H288 Co18 N72 O144 S18 -","18","1","","Tang, Yun-Zhi; Yu, Yin-Mei; Tan, Yu-Hui; Wu, Ji-Si; Xiong, Jian-Bo; Wen, He-Rui","Two acentric (6, 3) topological 2-D frameworks with imidazole-containing tripodal ligand and their ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10106","10111","10.1039/c3dt50432h","","","0.71073","MoKα","","0.0356","0.0323","","","0.0883","0.0921","","","","","","1.031","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021436","23.8731","0.0005","23.8731","0.0005","13.8236","0.0005","90","","90","","120","","6822.9","0.3","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C10 H16 Mn N4 O8 S -","- C10 H16 Mn N4 O8 S -","- C180 H288 Mn18 N72 O144 S18 -","18","1","","Tang, Yun-Zhi; Yu, Yin-Mei; Tan, Yu-Hui; Wu, Ji-Si; Xiong, Jian-Bo; Wen, He-Rui","Two acentric (6, 3) topological 2-D frameworks with imidazole-containing tripodal ligand and their ferroelectric properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10106","10111","10.1039/c3dt50432h","","","0.71073","MoKα","","0.046","0.0419","","","0.1226","0.1282","","","","","","1.089","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021437","17.0593","0.0014","20.6703","0.0016","13.3203","0.0011","90","","102.592","0.004","90","","4584","0.6","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H47 B9 Cl2 Cu P3 -","- C45 H47 B9 Cl2 Cu P3 -","- C180 H188 B36 Cl8 Cu4 P12 -","4","1","","Crespo, Olga; Díez-Gil, César; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Ospino, Isaura; Tapias, Jorge; Villacampa, M. Dolores; Visbal, Renso","Influence of the group 11 metal on the emissive properties of complexes [M{(PR2)2C2B9H10}L].","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8298","8306","10.1039/c3dt50434d","","","0.71073","MoKα","","0.0655","0.036","","","0.0929","0.1029","","","","","","1.025","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021438","11.9805","0.0017","12.7651","0.0018","14.375","0.002","79.691","0.003","70.189","0.003","76.404","0.003","1998.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H45 Au B9 O P3 -","- C40 H45 Au B9 O P3 -","- C80 H90 Au2 B18 O2 P6 -","2","1","","Crespo, Olga; Díez-Gil, César; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Ospino, Isaura; Tapias, Jorge; Villacampa, M. Dolores; Visbal, Renso","Influence of the group 11 metal on the emissive properties of complexes [M{(PR2)2C2B9H10}L].","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8298","8306","10.1039/c3dt50434d","","","0.71073","MoKα","","0.073","0.052","","","0.1002","0.1072","","","","","","1","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021439","16.2394","0.0017","17.7117","0.0019","17.713","0.0019","72.326","0.002","69.982","0.002","80.111","0.002","4547.9","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H89 Au2 B18 Cl9 P6 -","- C82 H87 Au2 B18 Cl9 P6 -","- C164 H174 Au4 B36 Cl18 P12 -","2","1","","Crespo, Olga; Díez-Gil, César; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Ospino, Isaura; Tapias, Jorge; Villacampa, M. Dolores; Visbal, Renso","Influence of the group 11 metal on the emissive properties of complexes [M{(PR2)2C2B9H10}L].","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8298","8306","10.1039/c3dt50434d","","","0.71073","MoKα","","0.0576","0.0409","","","0.0823","0.0884","","","","","","0.925","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7021440","13.9422","0.0004","15.7847","0.0002","16.9683","0.0004","90","","94.244","0.0009","90","","3724.03","0.15","150","1","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 N2 O2 P2 Ru -","- C42 H50 N2 O2 P2 Ru -","- C168 H200 N8 O8 P8 Ru4 -","4","1","","Prokopchuk, Demyan E.; Collado, Alba; Lough, Alan J.; Morris, Robert H.","Structural properties of trans hydrido-hydroxo M(H)(OH)(NH2CMe2CMe2NH2)(PPh3)2 (M = Ru, Os) complexes and their proton exchange behaviour with water in solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10214","10220","10.1039/c3dt50452b","","","0.71073","MoKα","","0.0751","0.0461","","","0.1098","0.1268","","","","","","1.04","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021441","13.921","0.0003","15.8226","0.0004","16.9605","0.0006","90","","94.033","0.0016","90","","3726.58","0.18","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H50 N2 O2 Os P2 -","- C42 H50 N2 O2 Os P2 -","- C168 H200 N8 O8 Os4 P8 -","4","1","","Prokopchuk, Demyan E.; Collado, Alba; Lough, Alan J.; Morris, Robert H.","Structural properties of trans hydrido-hydroxo M(H)(OH)(NH2CMe2CMe2NH2)(PPh3)2 (M = Ru, Os) complexes and their proton exchange behaviour with water in solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10214","10220","10.1039/c3dt50452b","","","0.71073","MoKα","","0.079","0.0428","","","0.0839","0.0974","","","","","","1.054","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021442","11.9922","0.0014","18.927","0.002","15.034","0.0018","90","","112.579","0.001","90","","3150.8","0.6","260","2","260","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 Br N4 Nb -","- C31 H42 Br N4 Nb -","- C124 H168 Br4 N16 Nb4 -","4","1","","Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Suárez, Francisco J; López-Solera, Isabel; Fernández-Galán, Rafael; Villaseñor, Elena","Asymmetric niobium guanidinates as intermediates in the catalytic guanylation of amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8223","8230","10.1039/c3dt50477h","","","0.71073","MoKα","","0.0543","0.0348","","","0.0672","0.0708","","","","","","0.873","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021443","9.6476","0.0007","16.4666","0.0012","8.4418","0.0006","90","","98.015","0.005","90","","1327.99","0.17","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 N6 -","- C20 H36 N6 -","- C40 H72 N12 -","2","0.5","","Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Suárez, Francisco J; López-Solera, Isabel; Fernández-Galán, Rafael; Villaseñor, Elena","Asymmetric niobium guanidinates as intermediates in the catalytic guanylation of amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8223","8230","10.1039/c3dt50477h","","","0.71073","mokα","","0.1171","0.0678","","","0.1809","0.2029","","","","","","0.921","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021444","13.137","0.005","13.669","0.006","20.822","0.008","85.047","0.003","85.468","0.003","66.511","0.004","3412","2","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C28 H35 F6 N4 O6 P Zn2 -","- C28 H35 F6 N4 O6 P Zn2 -","- C112 H140 F24 N16 O24 P4 Zn8 -","4","2","","Daumann, Lena J.; Marty, Laurène; Schenk, Gerhard; Gahan, Lawrence R.","Asymmetric zinc(ii) complexes as functional and structural models for phosphoesterases.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9574","9584","10.1039/c3dt50514f","","x-ray","0.71073","MoKα","","0.0778","0.0661","","","0.1826","0.1936","","","","","","1.031","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021445","13.3209","0.0006","15.0129","0.0007","16.4893","0.0006","91.81","0.003","108.35","0.004","110.363","0.004","2897.2","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C64 H67 B N4 O7 Zn2 -","- C64 H67 B N4 O7 Zn2 -","- C128 H134 B2 N8 O14 Zn4 -","2","1","","Daumann, Lena J.; Marty, Laurène; Schenk, Gerhard; Gahan, Lawrence R.","Asymmetric zinc(ii) complexes as functional and structural models for phosphoesterases.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9574","9584","10.1039/c3dt50514f","","x-ray","1.5418","CuKα","","0.0557","0.048","","","0.1321","0.1401","","","","","","1.035","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021446","10.0038","0.0004","17.7282","0.0006","17.168","0.0006","90","","93.224","0.004","90","","3039.92","0.19","102","2","102","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(K(18-C-6)SiPh3) ((triphenylsilyl)(18-crown-6)potassium)","","","- C30 H39 K O6 Si -","- C30 H39 K O6 Si -","- C120 H156 K4 O24 Si4 -","4","1","","Kleeberg, Christian","On the structural diversity of [K(18-crown-6)EPh3] complexes (E = C, Si, Ge, Sn, Pb): synthesis, crystal structures and NOESY NMR study.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8276","8287","10.1039/c3dt50523e","","","0.71073","MoKα","","0.0705","0.0419","","","0.0804","0.0901","","","","","","1.022","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021447","9.8014","0.0005","28.7693","0.0014","19.737","0.001","90","","90.447","0.005","90","","5565.3","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","18-Crown-6-potassium triphenyl-carbon","","","- C31 H39 K O6 -","- C31 H39 K O6 -","- C248 H312 K8 O48 -","8","4","","Kleeberg, Christian","On the structural diversity of [K(18-crown-6)EPh3] complexes (E = C, Si, Ge, Sn, Pb): synthesis, crystal structures and NOESY NMR study.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8276","8287","10.1039/c3dt50523e","","","0.71073","MoKα","","0.0743","0.0422","","","0.0735","0.0781","","","","","","0.869","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021448","18.3527","0.0008","15.264","0.0008","10.4474","0.0004","90","","90","","90","","2926.7","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","18-Crown-6-potassium triphenyl-silicon","","","- C30 H39 K O6 Si -","- C30 H39 K O6 Si -","- C120 H156 K4 O24 Si4 -","4","1","","Kleeberg, Christian","On the structural diversity of [K(18-crown-6)EPh3] complexes (E = C, Si, Ge, Sn, Pb): synthesis, crystal structures and NOESY NMR study.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8276","8287","10.1039/c3dt50523e","","","0.71073","MoKα","","0.0695","0.0573","","","0.1109","0.115","","","","","","1.313","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021449","9.8669","0.0001","17.2748","0.0002","17.9326","0.0002","90","","99.857","0.001","90","","3011.47","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","18-Crown-6-potassium triphenyl-germanium","","","- C30 H39 Ge K O6 -","- C30 H39 Ge K O6 -","- C120 H156 Ge4 K4 O24 -","4","1","","Kleeberg, Christian","On the structural diversity of [K(18-crown-6)EPh3] complexes (E = C, Si, Ge, Sn, Pb): synthesis, crystal structures and NOESY NMR study.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8276","8287","10.1039/c3dt50523e","","","1.54184","CuKα","","0.0241","0.0236","","","0.0639","0.0642","","","","","","1.036","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021450","9.6725","0.0002","12.6028","0.0002","24.4563","0.0005","90","","90","","90","","2981.24","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","18-Crown-6-potassium triphenyl-tin","","","- C30 H39 K O6 Sn -","- C30 H39 K O6 Sn -","- C120 H156 K4 O24 Sn4 -","4","1","","Kleeberg, Christian","On the structural diversity of [K(18-crown-6)EPh3] complexes (E = C, Si, Ge, Sn, Pb): synthesis, crystal structures and NOESY NMR study.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8276","8287","10.1039/c3dt50523e","","","0.71073","MoKα","","0.0237","0.0208","","","0.0393","0.0403","","","","","","1.052","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021451","9.6839","0.0004","12.5929","0.0004","24.5776","0.0008","90","","90","","90","","2997.2","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","18-Crown-6-potassium triphenyl-lead","","","- C30 H39 K O6 Pb -","- C30 H39 K O6 Pb -","- C120 H156 K4 O24 Pb4 -","4","1","","Kleeberg, Christian","On the structural diversity of [K(18-crown-6)EPh3] complexes (E = C, Si, Ge, Sn, Pb): synthesis, crystal structures and NOESY NMR study.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8276","8287","10.1039/c3dt50523e","","","0.71073","MoKα","","0.0762","0.038","","","0.0599","0.0698","","","","","","1.016","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021452","10.0985","0.001","37.415","0.004","10.9657","0.001","90","","113.481","0.001","90","","3800.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H76 La2 N14 O27 -","- C69 H76 La2 N14 O27 -","- C138 H152 La4 N28 O54 -","2","0.5","","Zou, Xiaoyan; Li, Mingjie; Yan, Pengfei; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Systematic study on the structures of salen type lanthanide complexes tuned by lanthanide contraction and corresponding luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9482","9489","10.1039/c3dt50534k","","","0.71073","MoKα","","0.0482","0.0455","","","0.0922","0.0932","","","","","","1.353","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021453","10.963","0.002","10.998","0.002","18.653","0.004","92","0.03","106.7","0.03","92.49","0.03","2149.5","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H84 Cl4 N14 O28 Yb2 -","- C72 H84 Cl4 N14 O28 Yb2 -","- C72 H84 Cl4 N14 O28 Yb2 -","1","0.5","","Zou, Xiaoyan; Li, Mingjie; Yan, Pengfei; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Systematic study on the structures of salen type lanthanide complexes tuned by lanthanide contraction and corresponding luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9482","9489","10.1039/c3dt50534k","","","0.71073","MoKα","","0.0665","0.0536","","","0.1466","0.1559","","","","","","1.064","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021454","10.0985","0.001","37.415","0.004","10.9657","0.001","90","","113.481","0.001","90","","3800.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H76 N14 O27 Pr2 -","- C69 H76 N14 O27 Pr2 -","- C138 H152 N28 O54 Pr4 -","2","0.5","","Zou, Xiaoyan; Li, Mingjie; Yan, Pengfei; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Systematic study on the structures of salen type lanthanide complexes tuned by lanthanide contraction and corresponding luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9482","9489","10.1039/c3dt50534k","","","0.71073","MoKα","","0.0507","0.0481","","","0.1044","0.1055","","","","","","1.256","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021455","10.991","0.003","11.023","0.004","18.69","0.007","91.897","0.012","106.9","0.011","92.541","0.01","2161.9","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H84 Cl4 N14 Nd2 O28 -","- C72 H84 Cl4 N14 Nd2 O28 -","- C72 H84 Cl4 N14 Nd2 O28 -","1","0.5","","Zou, Xiaoyan; Li, Mingjie; Yan, Pengfei; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Systematic study on the structures of salen type lanthanide complexes tuned by lanthanide contraction and corresponding luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9482","9489","10.1039/c3dt50534k","","","0.71073","MoKα","","0.1268","0.0652","","","0.1261","0.149","","","","","","0.975","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021456","10.958","0.002","10.997","0.002","18.676","0.004","91.91","0.03","106.88","0.03","92.56","0.03","2148.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H84 Cl4 N14 O28 Sm2 -","- C72 H84 Cl4 N14 O28 Sm2 -","- C72 H84 Cl4 N14 O28 Sm2 -","1","0.5","","Zou, Xiaoyan; Li, Mingjie; Yan, Pengfei; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Systematic study on the structures of salen type lanthanide complexes tuned by lanthanide contraction and corresponding luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9482","9489","10.1039/c3dt50534k","","","0.71073","MoKα","","0.0921","0.0592","","","0.1272","0.1443","","","","","","1.036","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021457","10.959","0.002","10.986","0.002","18.638","0.004","91.99","0.03","106.84","0.03","92.56","0.03","2142.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H84 Cl4 Eu2 N14 O28 -","- C72 H84 Cl4 Eu2 N14 O28 -","- C72 H84 Cl4 Eu2 N14 O28 -","1","0.5","","Zou, Xiaoyan; Li, Mingjie; Yan, Pengfei; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Systematic study on the structures of salen type lanthanide complexes tuned by lanthanide contraction and corresponding luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9482","9489","10.1039/c3dt50534k","","","0.71073","MoKα","","0.0636","0.0454","","","0.1039","0.1125","","","","","","1.023","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021458","10.948","0.004","10.978","0.003","18.649","0.008","91.97","0.014","106.73","0.014","92.56","0.012","2141.7","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H84 Cl4 Gd2 N14 O28 -","- C72 H84 Cl4 Gd2 N14 O28 -","- C72 H84 Cl4 Gd2 N14 O28 -","1","0.5","","Zou, Xiaoyan; Li, Mingjie; Yan, Pengfei; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Systematic study on the structures of salen type lanthanide complexes tuned by lanthanide contraction and corresponding luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9482","9489","10.1039/c3dt50534k","","","0.71073","MoKα","","0.0702","0.0486","","","0.1052","0.1174","","","","","","1.046","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021459","14.735","0.003","27.448","0.006","33.677","0.008","90","","90","","90","","13621","5","158","2","158","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C96 H168 Cu10 Gd2 N20 O36 -","- C96 H108 Cu10 Gd2 N20 O45 -","- C384 H432 Cu40 Gd8 N80 O180 -","4","0.5","","Jankolovits, Joseph; Cutland Van-Noord, Annabel D; Kampf, Jeff W.; Pecoraro, Vincent L.","Selective anion encapsulation in solid-state Ln(iii)[15-metallacrown-5](3+) compartments through secondary sphere interactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9803","9808","10.1039/c3dt50535a","","","0.71073","MoKα","","0.067","0.0585","","","0.1555","0.1605","","","","","","1.049","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021460","15.0407","0.0008","29.2565","0.0015","15.7377","0.0008","90","","96.336","0.001","90","","6882.9","0.6","85","2","85","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Gd[15-MC Cu(II), L-homophenylalanineHA-5](adipate)(nitrate)0.5","","- C112 H170.5 Cu10 Gd2 N22 O51.25 -","- C112 H136 Cu10 Gd2 N22 O51.25 -","- C224 H272 Cu20 Gd4 N44 O102.5 -","2","1","","Jankolovits, Joseph; Cutland Van-Noord, Annabel D; Kampf, Jeff W.; Pecoraro, Vincent L.","Selective anion encapsulation in solid-state Ln(iii)[15-metallacrown-5](3+) compartments through secondary sphere interactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9803","9808","10.1039/c3dt50535a","","","0.71073","MoKα","","0.0262","0.0249","","","0.0669","0.0676","","","","","","1.108","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021461","16.23","0.004","28.842","0.007","17.042","0.004","90","","102.679","0.014","90","","7783","3","85","2","85","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[LaCu5(C8H8N2O2)5(C6H8O4)2]2(NO3)0.5(OH)1.5(H2O)32)","","- C97 H161.5 Cu10 La2 N20.5 O63 -","- C92 H96 Cu10 La2 N20.5 O63.5 -","- C184 H192 Cu20 La4 N41 O127 -","2","1","","Jankolovits, Joseph; Cutland Van-Noord, Annabel D; Kampf, Jeff W.; Pecoraro, Vincent L.","Selective anion encapsulation in solid-state Ln(iii)[15-metallacrown-5](3+) compartments through secondary sphere interactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9803","9808","10.1039/c3dt50535a","","","0.71073","MoKα","","0.0569","0.0514","","","0.1427","0.1468","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021462","12.8754","0.0007","10.0368","0.0005","15.0169","0.0008","90","","93.153","0.004","90","","1937.66","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cl N2 O4 Pt -","- C19 H21 Cl N2 O4 Pt -","- C76 H84 Cl4 N8 O16 Pt4 -","4","1","","Pellarin, Kyle R.; McCready, Matthew S.; Puddephatt, Richard J.","Oxidation of dimethylplatinum(ii) complexes with a peroxyacid.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10444","10453","10.1039/c3dt50585e","","","0.71073","MoKα","","0.0456","0.0317","","","0.0713","0.0772","","","","","","1.081","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021463","23.271","0.006","20.831","0.004","7.8963","0.0016","90","","104.39","0.03","90","","3707.7","1.5","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C68 H81 Cl2 N8 O18 Pt4 -","- C68 H81 Cl2 N8 O18 Pt4 -","- C136 H162 Cl4 N16 O36 Pt8 -","2","0.25","","Pellarin, Kyle R.; McCready, Matthew S.; Puddephatt, Richard J.","Oxidation of dimethylplatinum(ii) complexes with a peroxyacid.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10444","10453","10.1039/c3dt50585e","","","0.71073","MoKα","","0.0754","0.052","","","0.1252","0.1385","","","","","","1.056","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021464","10.3903","0.001","12.1363","0.0009","12.9158","0.0013","103.591","0.008","111.663","0.009","108.65","0.008","1313.9","0.3","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C22 H35 N3 O6 Ru S3 -","- C22 H35 N3 O6 Ru S3 -","- C44 H70 N6 O12 Ru2 S6 -","2","2","","Reiner, Thomas; Jantke, Dominik; Miao, Xiao-He; Marziale, Alexander N.; Kiefer, Florian J.; Eppinger, Jörg","Phenylalanine - a biogenic ligand with flexible η(6)- and η(6):κ(1)-coordination at ruthenium(ii) centres.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8692","8703","10.1039/c3dt50589h","","","0.71073","MoKα","","0.0517","0.0403","","","0.0899","0.096","","","","","","1.005","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021465","9.0078","0.0018","9.5536","0.0019","31.245","0.006","90","","90","","90","","2688.8","0.9","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 Cl2 N4 O2 Ru -","- C26 H30 Cl2 N4 O2 Ru -","- C104 H120 Cl8 N16 O8 Ru4 -","4","1","","Reiner, Thomas; Jantke, Dominik; Miao, Xiao-He; Marziale, Alexander N.; Kiefer, Florian J.; Eppinger, Jörg","Phenylalanine - a biogenic ligand with flexible η(6)- and η(6):κ(1)-coordination at ruthenium(ii) centres.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8692","8703","10.1039/c3dt50589h","","","0.71073","MoKα","","0.0342","0.0323","","","0.0951","0.0957","","","","","","1.184","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021466","12.0799","0.0002","21.2024","0.0004","15.9892","0.0003","90","","91.633","0.001","90","","4093.54","0.13","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 B2 Co2 F8 N6 O6 -","- C38 H44 B2 Co2 F8 N6 O6 -","- C152 H176 B8 Co8 F32 N24 O24 -","4","1","","Vad, Mads S.; Johansson, Frank B.; Seidler-Egdal, Rune Kirk; McGrady, John E.; Novikov, Sergey M.; Bozhevolnyi, Sergey I.; Bond, Andrew D.; McKenzie, Christine J.","Tuning affinity and reversibility for O2 binding in dinuclear Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9921","9929","10.1039/c3dt50617g","","","0.71073","MoKα","","0.0577","0.0388","","","0.0937","0.1015","","","","","","1.026","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021467","10.6177","0.0004","11.6326","0.0004","18.3035","0.0006","82.523","0.001","84.474","0.001","74.401","0.001","2154.46","0.13","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H45.5 B2 Cl Co2 F8 N6 O7.25 -","- C38 H45.5 B2 Cl Co2 F8 N6 O7.25 -","- C76 H91 B4 Cl2 Co4 F16 N12 O14.5 -","2","1","","Vad, Mads S.; Johansson, Frank B.; Seidler-Egdal, Rune Kirk; McGrady, John E.; Novikov, Sergey M.; Bozhevolnyi, Sergey I.; Bond, Andrew D.; McKenzie, Christine J.","Tuning affinity and reversibility for O2 binding in dinuclear Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9921","9929","10.1039/c3dt50617g","","","0.71073","MoKα","","0.0575","0.0438","","","0.1176","0.1241","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021468","10.6153","0.0012","11.3123","0.0015","18.84","0.002","81.346","0.005","83.427","0.005","75.393","0.004","2157.4","0.4","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H42.5 B2 Cl2 Co2 F8 N6 O6.25 -","- C38 H42.5 B2 Cl2 Co2 F8 N6 O6.25 -","- C76 H85 B4 Cl4 Co4 F16 N12 O12.5 -","2","1","","Vad, Mads S.; Johansson, Frank B.; Seidler-Egdal, Rune Kirk; McGrady, John E.; Novikov, Sergey M.; Bozhevolnyi, Sergey I.; Bond, Andrew D.; McKenzie, Christine J.","Tuning affinity and reversibility for O2 binding in dinuclear Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9921","9929","10.1039/c3dt50617g","","","0.71073","MoKα","","0.1251","0.0543","","","0.1041","0.1246","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021469","12.34","0.002","16.437","0.003","18.524","0.003","77.664","0.006","88.953","0.006","73.611","0.006","3517.8","1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H39 Cl5 Co2 N6 O13 -","- C38 H39 Cl5 Co2 N6 O13 -","- C76 H78 Cl10 Co4 N12 O26 -","2","1","","Vad, Mads S.; Johansson, Frank B.; Seidler-Egdal, Rune Kirk; McGrady, John E.; Novikov, Sergey M.; Bozhevolnyi, Sergey I.; Bond, Andrew D.; McKenzie, Christine J.","Tuning affinity and reversibility for O2 binding in dinuclear Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9921","9929","10.1039/c3dt50617g","","","0.71073","MoKα","","0.1182","0.0742","","","0.1897","0.2026","","","","","","0.951","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021470","26.3433","0.0011","18.4942","0.0007","21.7739","0.001","90","","109.509","0.002","90","","9999.2","0.7","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 Cl2 Co2 N6 O13 -","- C47 H46 Cl2 Co2 N6 O13 -","- C376 H368 Cl16 Co16 N48 O104 -","8","2","","Vad, Mads S.; Johansson, Frank B.; Seidler-Egdal, Rune Kirk; McGrady, John E.; Novikov, Sergey M.; Bozhevolnyi, Sergey I.; Bond, Andrew D.; McKenzie, Christine J.","Tuning affinity and reversibility for O2 binding in dinuclear Co(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9921","9929","10.1039/c3dt50617g","","","0.71073","MoKα","","0.0899","0.056","","","0.1398","0.1492","","","","","","1.053","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021471","25.749","0.004","25.749","0.004","8.3921","0.0017","90","","90","","90","","5564.1","1.7","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C28 H24 Cd N8 O8 -","- C28 H24 Cd N8 O8 -","- C224 H192 Cd8 N64 O64 -","8","0.5","","Sun, Yan-Qiong; Deng, Song; Liu, Qi; Ge, Su-Zhi; Chen, Yi-Ping","A green luminescent 1-D helical tubular dipyrazol-bridged cadmium(ii) complex: a coordination tube included in a supramolecular tube.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10503","10509","10.1039/c3dt50620g","","","0.71073","MoKα","","0.0459","0.0453","","","0.1056","0.106","","","","","","1.157","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021472","11.55","0.002","15.209","0.003","16.081","0.003","105.15","0.03","110.39","0.03","106.59","0.03","2323.9","1.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H88 Au4 B40 Cl8 P4 Se4 -","- C60 H88 Au4 B40 Cl8 P4 Se4 -","- C60 H88 Au4 B40 Cl8 P4 Se4 -","1","0.5","","Crespo, Olga; Gimeno, M Concepción; Ilie, Adriana; Laguna, Antonio; Ospino, Isaura; Silvestru, Cristian","Diselenolate- and ditellurolate-carborane gold complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10454","10459","10.1039/c3dt50624j","","","0.71073","MoKα","","0.0189","0.0181","","","0.0431","0.0435","","","","","","1.031","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021473","16.2782","0.0003","16.2782","0.0003","30.4992","0.0012","90","","90","","90","","8081.7","0.4","185","2","185","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C20 H12 N O7 Zn2 -","- C20 H12 N O7 Zn2 -","- C320 H192 N16 O112 Zn32 -","16","1","","Song, Xue-Zhi; Song, Shu-Yan; Zhao, Shu-Na; Hao, Zhao-Min; Zhu, Min; Meng, Xing; Zhang, Hong-Jie","Two high-connected metal-organic frameworks based on d(10)-metal clusters: syntheses, structural topologies and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8183","8187","10.1039/c3dt50687h","","","0.71073","MoKα","","0.0761","0.0513","","","0.1356","0.146","","","","","","1.069","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7021474","10.0309","0.0005","21.4943","0.001","10.5442","0.0006","90","","93.629","0.001","90","","2268.8","0.2","185","2","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Cd2 N2 O8 -","- C25 H16 Cd2 N2 O8 -","- C100 H64 Cd8 N8 O32 -","4","1","","Song, Xue-Zhi; Song, Shu-Yan; Zhao, Shu-Na; Hao, Zhao-Min; Zhu, Min; Meng, Xing; Zhang, Hong-Jie","Two high-connected metal-organic frameworks based on d(10)-metal clusters: syntheses, structural topologies and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8183","8187","10.1039/c3dt50687h","","","0.71073","MoKα","","0.0705","0.0465","","","0.1169","0.1295","","","","","","1.06","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7021475","27.8099","0.0004","27.8099","0.0004","27.8099","0.0004","90","","90","","90","","21507.9","0.5","296","2","296","2","","","","","","","","5","I a -3","-I 2b 2c 3","206","","","","- C62 H122 Mn18 N12 O42 -","- C62.01 H122.01 Mn18 N12 O42.02 -","- C496.08 H976.08 Mn144 N96 O336.16 -","8","0.166667","","Zhou, Ai-Ju; Leng, Ji-Dong; Hu, Jin-Sheng; Tong, Ming-Liang","High symmetry superoctahedron cluster [Mn(III)18O14](26+) from the use of N,N,N',N'-tetrakis(2-hydroxyethyl)ethylenediamine.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9428","9431","10.1039/c3dt50695a","","","0.71073","MoKα","","0.1324","0.0852","","","0.2318","0.2703","","","","","","1.102","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021476","12.0492","0.0001","12.3319","0.0001","23.7314","0.0004","99.419","0.001","95.762","0.001","107.449","0.001","3276.5","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H63 Dy2 N4 O13.5 -","- C74 H63 Dy2 N4 O13.5 -","- C148 H126 Dy4 N8 O27 -","2","1","","Zhu, Yan; Luo, Feng; Luo, Ming-Biao; Feng, Xue-Feng; Batten, Stuart R.; Sun, Gong-Ming; Liu, Shu-Juan; Xu, Wen-Yuan","Solvent-induced reversible single-crystal-to-single-crystal transformations observed in lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8545","8548","10.1039/c3dt50737h","","","0.71073","MoKα","","0.0399","0.031","","","0.0749","0.0792","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021477","13.1576","0.0003","14.3885","0.0003","17.4231","0.0004","82.872","0.001","83.522","0.001","72.836","0.001","3117.13","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H58 Dy2 N4 O12 -","- C72 H58 Dy2 N4 O12 -","- C144 H116 Dy4 N8 O24 -","2","1","","Zhu, Yan; Luo, Feng; Luo, Ming-Biao; Feng, Xue-Feng; Batten, Stuart R.; Sun, Gong-Ming; Liu, Shu-Juan; Xu, Wen-Yuan","Solvent-induced reversible single-crystal-to-single-crystal transformations observed in lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8545","8548","10.1039/c3dt50737h","","","0.71073","MoKα","","0.0449","0.036","","","0.0928","0.1002","","","","","","1.04","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021478","13.1302","0.0006","14.358","0.0006","17.3903","0.0008","82.788","0.002","83.566","0.002","72.837","0.002","3098","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H58 Dy2 N4 O12 -","- C72 H58 Dy2 N4 O12 -","- C144 H116 Dy4 N8 O24 -","2","1","","Zhu, Yan; Luo, Feng; Luo, Ming-Biao; Feng, Xue-Feng; Batten, Stuart R.; Sun, Gong-Ming; Liu, Shu-Juan; Xu, Wen-Yuan","Solvent-induced reversible single-crystal-to-single-crystal transformations observed in lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8545","8548","10.1039/c3dt50737h","","","0.71073","MoKα","","0.0409","0.0361","","","0.0876","0.0922","","","","","","1.078","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021479","13.1721","0.0009","14.3833","0.001","17.4134","0.0012","83.021","0.004","83.729","0.004","72.832","0.004","3119.4","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H58 Dy2 N4 O12 -","- C72 H58 Dy2 N4 O12 -","- C144 H116 Dy4 N8 O24 -","2","1","","Zhu, Yan; Luo, Feng; Luo, Ming-Biao; Feng, Xue-Feng; Batten, Stuart R.; Sun, Gong-Ming; Liu, Shu-Juan; Xu, Wen-Yuan","Solvent-induced reversible single-crystal-to-single-crystal transformations observed in lanthanide complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8545","8548","10.1039/c3dt50737h","","","0.71073","MoKα","","0.0435","0.0322","","","0.0831","0.09","","","","","","1.068","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021480","20.7387","0.0005","20.7387","0.0005","8.4495","0.0004","90","","90","","90","","3634.1","0.2","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H14 Co3 N8 O8 -","- C10 H10 Co3 N8 O8 -","- C80 H80 Co24 N64 O64 -","8","0.5","","Zhang, Guangju; Li, Hao; Zhao, Fangfang; Hu, Hailiang; Huang, Hui; Li, Haitao; Han, Xiao; Liu, Ruihua; Dong, Huan; Liu, Yang; Kang, Zhenhui","A cobalt-based 3D porous framework with excellent catalytic ability for the selective oxidation of cis-cyclooctene.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9423","9427","10.1039/c3dt50747e","","","0.71073","MoKα","","0.0427","0.0371","","","0.151","0.1592","","","","","","1.011","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021481","27.8478","0.0009","27.8478","0.0009","11.971","0.0007","90","","90","","90","","9283.5","0.7","220","2","220","2","","","","","","","","9","I 4","I 4","79","","","","- C31 H63 B Cl4 Cu3 Mo N8 O0.5 S3 -","- C31 H62 B Cl4 Cu3 Mo N8 O0.5 S3 -","- C248 H496 B8 Cl32 Cu24 Mo8 N64 O4 S24 -","8","1","","Zhang, Zhi-Yuan; Gong, Wei-Jie; Wang, Fan; Chen, Min-Min; Zhou, Li-Kuan; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Assembly of new Mo/Cu/S clusters from [Et4N][Tp*MoS(S4)] and Cu(i) salts: syntheses, structures and third-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9495","9504","10.1039/c3dt50759a","","","0.71073","MoKα","","0.1067","0.0698","","","0.1489","0.1642","","","","","","0.971","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021482","10.394","0.002","10.638","0.002","18.519","0.004","77.96","0.03","85.42","0.03","80.26","0.03","1971.7","0.7","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C24 H44 B Br3 Cl2 Cu3 Mo N7 S3 -","- C24 H44 B Br3 Cl2 Cu3 Mo N7 S3 -","- C48 H88 B2 Br6 Cl4 Cu6 Mo2 N14 S6 -","2","1","","Zhang, Zhi-Yuan; Gong, Wei-Jie; Wang, Fan; Chen, Min-Min; Zhou, Li-Kuan; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Assembly of new Mo/Cu/S clusters from [Et4N][Tp*MoS(S4)] and Cu(i) salts: syntheses, structures and third-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9495","9504","10.1039/c3dt50759a","","","0.71073","MoKα","","0.0611","0.0401","","","0.0957","0.1037","","","","","","0.985","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021483","10.485","0.002","10.901","0.002","18.762","0.004","77.98","0.03","85.53","0.03","80.75","0.03","2068","0.8","223","2","223","2","","","","","","","","9","P -1","-P 1","2","","","","- C23.5 H43 B Cl Cu3 I3 Mo N7 S3 -","- C23.5 H43 B Cl Cu3 I3 Mo N7 S3 -","- C47 H86 B2 Cl2 Cu6 I6 Mo2 N14 S6 -","2","1","","Zhang, Zhi-Yuan; Gong, Wei-Jie; Wang, Fan; Chen, Min-Min; Zhou, Li-Kuan; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Assembly of new Mo/Cu/S clusters from [Et4N][Tp*MoS(S4)] and Cu(i) salts: syntheses, structures and third-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9495","9504","10.1039/c3dt50759a","","","0.71073","MoKα","","0.1066","0.0774","","","0.2168","0.2376","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021484","18.811","0.004","17.312","0.004","10.749","0.002","90","","90","","90","","3500.5","1.3","223","2","223","2","","","","","","","","10","P n a 21","P 2c -2n","33","","","","- C24 H44 B Cl2 Cu I Mo N7 O S2 -","- C24 H44 B Cl2 Cu I Mo N7 O S2 -","- C96 H176 B4 Cl8 Cu4 I4 Mo4 N28 O4 S8 -","4","1","","Zhang, Zhi-Yuan; Gong, Wei-Jie; Wang, Fan; Chen, Min-Min; Zhou, Li-Kuan; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Assembly of new Mo/Cu/S clusters from [Et4N][Tp*MoS(S4)] and Cu(i) salts: syntheses, structures and third-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9495","9504","10.1039/c3dt50759a","","","0.71073","MoKα","","0.0657","0.0487","","","0.0894","0.1","","","","","","1.055","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021485","8.6883","0.0017","10.542","0.002","19.244","0.004","81.38","0.03","85.9","0.03","66.92","0.03","1603","0.7","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H42 B Cu Mo N8 O S2 -","- C24 H42 B Cu Mo N8 O S2 -","- C48 H84 B2 Cu2 Mo2 N16 O2 S4 -","2","1","","Zhang, Zhi-Yuan; Gong, Wei-Jie; Wang, Fan; Chen, Min-Min; Zhou, Li-Kuan; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Assembly of new Mo/Cu/S clusters from [Et4N][Tp*MoS(S4)] and Cu(i) salts: syntheses, structures and third-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9495","9504","10.1039/c3dt50759a","","","0.71073","MoKα","","0.0662","0.0503","","","0.1404","0.1464","","","","","","1.068","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021486","26.175","0.012","26.175","0.012","32.823","0.011","90","","90","","90","","22488","16","223","2","223","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C62 H91 B4 Cu12 Mo4 N25 S16 -","- C62 H88 B4 Cu12 Mo4 N25 S16 -","- C496 H704 B32 Cu96 Mo32 N200 S128 -","8","0.25","","Zhang, Zhi-Yuan; Gong, Wei-Jie; Wang, Fan; Chen, Min-Min; Zhou, Li-Kuan; Ren, Zhi-Gang; Sun, Zhen-Rong; Lang, Jian-Ping","Assembly of new Mo/Cu/S clusters from [Et4N][Tp*MoS(S4)] and Cu(i) salts: syntheses, structures and third-order nonlinear optical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9495","9504","10.1039/c3dt50759a","","","0.71073","MoKα","","0.0715","0.0688","","","0.2584","0.2614","","","","","","1.444","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021487","26.953","0.003","8.1226","0.0004","18.69","0.002","90","","132.03","0.02","90","","3039.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H25 Au Cl P S -","- C11 H25 Au Cl P S -","- C88 H200 Au8 Cl8 P8 S8 -","8","1","","Upmann, Daniel; Jones, Peter G.","Synthesis and X-ray structural characterization of the (chlorochalcogeno)phosphonium cations R2R'PSCl(+) and R2R'PSeCl(+) as their AuCl4(-) salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7526","7528","10.1039/c3dt50777g","","","0.71073","MoKα","","0.0269","0.021","","","0.0406","0.0428","","","","","","1.052","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021488","7.64505","0.0001","14.6437","0.0002","13.7211","0.0002","90","","90.4954","0.0012","90","","1536.04","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H25 Au Cl P Se -","- C11 H25 Au Cl P Se -","- C44 H100 Au4 Cl4 P4 Se4 -","4","1","","Upmann, Daniel; Jones, Peter G.","Synthesis and X-ray structural characterization of the (chlorochalcogeno)phosphonium cations R2R'PSCl(+) and R2R'PSeCl(+) as their AuCl4(-) salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7526","7528","10.1039/c3dt50777g","","","0.71073","MoKα","","0.0243","0.0209","","","0.0452","0.0466","","","","","","1.08","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021489","8.2215","0.0002","11.3519","0.0003","15.24","0.0004","90","","92.389","0.004","90","","1421.11","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 Au Cl P Se -","- C10 H23 Au Cl P Se -","- C40 H92 Au4 Cl4 P4 Se4 -","4","1","","Upmann, Daniel; Jones, Peter G.","Synthesis and X-ray structural characterization of the (chlorochalcogeno)phosphonium cations R2R'PSCl(+) and R2R'PSeCl(+) as their AuCl4(-) salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7526","7528","10.1039/c3dt50777g","","","0.71073","MoKα","","0.0301","0.0206","","","0.0402","0.0431","","","","","","1.068","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021490","8.6034","0.0004","9.7779","0.0004","11.4231","0.0004","78.876","0.003","71.456","0.004","72.702","0.004","864.7","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H25 Au Cl3 P S -","- C11 H25 Au Cl3 P S -","- C22 H50 Au2 Cl6 P2 S2 -","2","1","","Upmann, Daniel; Jones, Peter G.","Synthesis and X-ray structural characterization of the (chlorochalcogeno)phosphonium cations R2R'PSCl(+) and R2R'PSeCl(+) as their AuCl4(-) salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7526","7528","10.1039/c3dt50777g","","","0.71073","MoKα","","0.0175","0.0158","","","0.0355","0.036","","","","","","1.076","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021491","8.5343","0.0002","9.7185","0.0003","14.0759","0.0004","74.398","0.002","78.121","0.002","73.257","0.002","1066.3","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H26 Au Cl6 P Se -","- C12 H26 Au Cl6 P Se -","- C24 H52 Au2 Cl12 P2 Se2 -","2","1","","Upmann, Daniel; Jones, Peter G.","Synthesis and X-ray structural characterization of the (chlorochalcogeno)phosphonium cations R2R'PSCl(+) and R2R'PSeCl(+) as their AuCl4(-) salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7526","7528","10.1039/c3dt50777g","","","0.71073","MoKα","","0.0212","0.0198","","","0.0452","0.0458","","","","","","1.091","","","","has coordinates,has disorder","288501","2023-12-22","13:20:51",""
"7021492","8.4533","0.0002","17.0563","0.0004","11.4826","0.0003","90","","94.525","0.002","90","","1650.42","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 Au Cl3 P S -","- C10 H23 Au Cl3 P S -","- C40 H92 Au4 Cl12 P4 S4 -","4","1","","Upmann, Daniel; Jones, Peter G.","Synthesis and X-ray structural characterization of the (chlorochalcogeno)phosphonium cations R2R'PSCl(+) and R2R'PSeCl(+) as their AuCl4(-) salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7526","7528","10.1039/c3dt50777g","","","0.71073","MoKα","","0.0247","0.021","","","0.0443","0.0457","","","","","","1.072","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021493","7.9388","0.0002","14.5821","0.0003","14.3875","0.0004","90","","91.285","0.003","90","","1665.14","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 Au Cl3 P Se -","- C10 H23 Au Cl3 P Se -","- C40 H92 Au4 Cl12 P4 Se4 -","4","1","","Upmann, Daniel; Jones, Peter G.","Synthesis and X-ray structural characterization of the (chlorochalcogeno)phosphonium cations R2R'PSCl(+) and R2R'PSeCl(+) as their AuCl4(-) salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7526","7528","10.1039/c3dt50777g","","","0.71073","MoKα","","0.0707","0.0439","","","0.0922","0.0955","","","","","","1.106","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021494","33.653","0.003","7.7933","0.0003","16.212","0.002","90","","113.861","0.008","90","","3888.5","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H25 Au Cl5 P S -","- C11 H25 Au Cl5 P S -","- C88 H200 Au8 Cl40 P8 S8 -","8","1","","Upmann, Daniel; Jones, Peter G.","Synthesis and X-ray structural characterization of the (chlorochalcogeno)phosphonium cations R2R'PSCl(+) and R2R'PSeCl(+) as their AuCl4(-) salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7526","7528","10.1039/c3dt50777g","","","0.71073","MoKα","","0.0559","0.0344","","","0.0598","0.066","","","","","","1.033","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021495","33.7472","0.0006","7.79306","0.00008","16.2575","0.0003","90","","113.582","0.003","90","","3918.56","0.14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H25 Au Cl5 P Se -","- C11 H25 Au Cl5 P Se -","- C88 H200 Au8 Cl40 P8 Se8 -","8","1","","Upmann, Daniel; Jones, Peter G.","Synthesis and X-ray structural characterization of the (chlorochalcogeno)phosphonium cations R2R'PSCl(+) and R2R'PSeCl(+) as their AuCl4(-) salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7526","7528","10.1039/c3dt50777g","","","0.71073","MoKα","","0.0276","0.0209","","","0.0407","0.0427","","","","","","1.104","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021496","7.5619","0.0004","8.7408","0.0004","15.4558","0.0006","84.346","0.004","78.306","0.004","66.915","0.005","920.07","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H23 Au Cl5 P S -","- C10 H23 Au Cl5 P S -","- C20 H46 Au2 Cl10 P2 S2 -","2","1","","Upmann, Daniel; Jones, Peter G.","Synthesis and X-ray structural characterization of the (chlorochalcogeno)phosphonium cations R2R'PSCl(+) and R2R'PSeCl(+) as their AuCl4(-) salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7526","7528","10.1039/c3dt50777g","","","0.71073","MoKα","","0.0212","0.0166","","","0.0343","0.036","","","","","","1.05","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021497","7.5836","0.0002","8.7603","0.0002","15.4719","0.0006","84.445","0.003","78.641","0.003","67.128","0.003","928.27","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H23 Au Cl5 P Se -","- C10 H23 Au Cl5 P Se -","- C20 H46 Au2 Cl10 P2 Se2 -","2","1","","Upmann, Daniel; Jones, Peter G.","Synthesis and X-ray structural characterization of the (chlorochalcogeno)phosphonium cations R2R'PSCl(+) and R2R'PSeCl(+) as their AuCl4(-) salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7526","7528","10.1039/c3dt50777g","","","0.71073","MoKα","","0.0254","0.021","","","0.0519","0.0542","","","","","","1.052","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021498","8.5008","0.0004","10.7942","0.0005","14.9113","0.0006","97.788","0.002","100.943","0.002","106.893","0.002","1258.65","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H49 B N P -","- C24 H49 B N P -","- C48 H98 B2 N2 P2 -","2","1","","Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.","Boron azides in Staudinger oxidations and cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8674","8683","10.1039/c3dt50791b","","","0.71073","MoKα","","0.0504","0.0387","","","0.0956","0.1025","","","","","","1.021","","","","has coordinates","179919","2020-10-21","18:00:00",""
"7021499","10.639","0.004","20.992","0.007","22.501","0.008","63.106","0.009","80.088","0.011","88.865","0.01","4405","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H55 B N P -","- C30 H55 B N P -","- C180 H330 B6 N6 P6 -","6","3","","Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.","Boron azides in Staudinger oxidations and cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8674","8683","10.1039/c3dt50791b","","","0.71073","MoKα","","0.1058","0.0694","","","0.1484","0.1668","","","","","","1.011","","","","has coordinates,has disorder","179919","2020-10-21","18:00:00",""
"7021500","14.7239","0.001","17.3602","0.0012","10.2259","0.0006","90","","104.271","0.002","90","","2533.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 B N P -","- C30 H37 B N P -","- C120 H148 B4 N4 P4 -","4","1","","Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.","Boron azides in Staudinger oxidations and cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8674","8683","10.1039/c3dt50791b","","","0.71073","MoKα","","0.0415","0.0333","","","0.0887","0.0949","","","","","","1.082","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021501","17.7955","0.0011","14.0784","0.0008","20.1991","0.0009","90","","90","","90","","5060.5","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H27 B F10 N P -","- C24 H27 B F10 N P -","- C192 H216 B8 F80 N8 P8 -","8","1","","Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.","Boron azides in Staudinger oxidations and cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8674","8683","10.1039/c3dt50791b","","","0.71073","MoKα","","0.1233","0.0672","","","0.177","0.215","","","","","","1.033","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021502","8.1259","0.0018","10.9061","0.0015","15.541","0.002","74.213","0.008","86.1","0.009","89.851","0.008","1322.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H15 B F10 N P -","- C30 H15 B F10 N P -","- C60 H30 B2 F20 N2 P2 -","2","1","","Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.","Boron azides in Staudinger oxidations and cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8674","8683","10.1039/c3dt50791b","","","0.71073","MoKα","","0.0727","0.0483","","","0.1171","0.1302","","","","","","1.034","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021503","10.4324","0.0003","11.2938","0.0003","13.4201","0.0003","87.9772","0.0014","69.0838","0.0013","71.1715","0.0012","1392.22","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H15 B F10 N P -","- C32 H15 B F10 N P -","- C64 H30 B2 F20 N2 P2 -","2","1","","Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.","Boron azides in Staudinger oxidations and cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8674","8683","10.1039/c3dt50791b","","","0.71073","MoKα","","0.0633","0.041","","","0.0866","0.0961","","","","","","1.02","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021504","17.9949","0.0012","14.7759","0.001","14.0239","0.0009","90","","122.87","0.002","90","","3131.9","0.4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H18 B F10 N4 P -","- C33 H18 B F10 N4 P -","- C132 H72 B4 F40 N16 P4 -","4","1","","Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.","Boron azides in Staudinger oxidations and cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8674","8683","10.1039/c3dt50791b","","","0.71073","MoKα","","0.0338","0.031","","","0.0743","0.0763","","","","","","0.946","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021505","13.6525","0.0011","9.9457","0.0008","13.7064","0.0011","90","","113.177","0.005","90","","1710.9","0.2","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H20 B F10 N P2 -","- C38 H20 B F10 N P2 -","- C76 H40 B2 F20 N2 P4 -","2","1","","Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.","Boron azides in Staudinger oxidations and cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8674","8683","10.1039/c3dt50791b","","","1.54178","CuKα","","0.0542","0.0482","","","0.1209","0.1246","","","","","","1.054","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021506","16.25","0.002","20.594","0.003","24.262","0.004","90","","107.673","0.003","90","","7736","2","147","2","147","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C64 H30 B4 F40 N6 O12 P4 -","- C64 H30 B4 F40 N6 O12 P4 -","- C256 H120 B16 F160 N24 O48 P16 -","4","1","","Melen, Rebecca L.; Lough, Alan J.; Stephan, Douglas W.","Boron azides in Staudinger oxidations and cycloadditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8674","8683","10.1039/c3dt50791b","","","0.71073","MoKα","","0.068","0.0528","","","0.1233","0.1327","","","","","","1.012","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021507","12.564","0.0005","12.844","0.0004","16.424","0.0007","74.837","0.003","75.239","0.004","60.808","0.004","2207.6","0.17","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C41 H16 Ag3 F27 N6 -","- C41 H16 Ag3 F27 N6 -","- C82 H32 Ag6 F54 N12 -","2","1","","Kleinwächter, Michael; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Tuning stoichiometry and supramolecular assembly in perfluorinated indazolato coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10102","10105","10.1039/c3dt50793a","","x-ray","0.71073","MoKα","","0.1017","0.0685","","","0.1474","0.1608","","","","","","1.093","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021508","12.6128","0.0009","12.9362","0.0005","13.6226","0.0007","78.199","0.003","73.173","0.003","63.132","0.004","1890.77","0.19","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C31 H10 Ag3 F27 N6 O -","- C31 H10 Ag3 F27 N6 O -","- C62 H20 Ag6 F54 N12 O2 -","2","1","","Kleinwächter, Michael; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Tuning stoichiometry and supramolecular assembly in perfluorinated indazolato coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10102","10105","10.1039/c3dt50793a","","x-ray","0.71073","MoKα","","0.0497","0.031","","","0.0621","0.0687","","","","","","0.999","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021509","22.0065","0.0012","13.1308","0.0009","27.0131","0.0019","90","","90","","90","","7805.8","0.9","180","2","180","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C64 H26 Cu5 F54 N13 O -","- C64 H26 Cu5 F54 N13 O -","- C256 H104 Cu20 F216 N52 O4 -","4","1","","Kleinwächter, Michael; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Tuning stoichiometry and supramolecular assembly in perfluorinated indazolato coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10102","10105","10.1039/c3dt50793a","","","0.71073","MoKα","","0.0723","0.0479","","","0.1226","0.139","","","","","","1.017","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021510","23.705","0.005","8.276","0.005","20.188","0.005","90","","90","","90","","3961","3","100","2","100","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C8 H12 B Cu F4 N4 -","- C8 H12 B Cu F4 N4 -","- C96 H144 B12 Cu12 F48 N48 -","12","3","","Kleinwächter, Michael; Vendier, Laure; Dinoi, Chiara; Etienne, Michel","Tuning stoichiometry and supramolecular assembly in perfluorinated indazolato coinage metal complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10102","10105","10.1039/c3dt50793a","","","0.71073","MoKα","","0.0293","0.0238","","","0.056","0.0575","","","","","","1.029","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021511","14.053","0.005","14.053","0.005","17.071","0.005","90","","90","","90","","3371","2","293","2","293","2","","","","","","","","7","P 4/n m m :2","-P 4a 2a","129","","","","- C28 H24 Ag8 N16 O42 P W12 -","- C28 H24 Ag8 N16 O40 P W12 -","- C56 H48 Ag16 N32 O80 P2 W24 -","2","0.125","","Tian, Aixiang; Lin, Xiaoling; Ying, Jun; Zhang, Juwen; Lin, Hongyan; Liu, Guocheng; Zhao, Dan; Li, Na; Wang, Xiuli","Self-assembly of a molecular crown as a structural analogue of calix[4]arene to modify Keggin anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9809","9812","10.1039/c3dt50800e","","","0.71069","MoKα","","0.065","0.0564","","","0.1545","0.1608","","","","","","1.031","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021512","10.8891","0.0008","10.8996","0.0007","25.8263","0.0019","90","","94.284","0.003","90","","3056.7","0.4","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 B F4 Fe N6 O2 S4 -","- C24 H32 B F4 Fe N6 O2 S4 -","- C96 H128 B4 F16 Fe4 N24 O8 S16 -","4","1","","Chang, Tsuhen M.; Tomat, Elisa","Disulfide/thiol switches in thiosemicarbazone ligands for redox-directed iron chelation.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7846","7849","10.1039/c3dt50824b","","","0.71073","MoKα","","0.0668","0.0377","","","0.0745","0.085","","","","","","1.011","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021513","18.6075","0.0008","15.6202","0.0007","19.284","0.0008","90","","90","","90","","5604.9","0.4","100","","99.99","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C21 H27 B F4 Fe N6 O S4 -","- C21.75 H26.25 B F4 Fe N6 O0.75 S4 -","- C174 H210 B8 F32 Fe8 N48 O6 S32 -","8","1","","Chang, Tsuhen M.; Tomat, Elisa","Disulfide/thiol switches in thiosemicarbazone ligands for redox-directed iron chelation.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7846","7849","10.1039/c3dt50824b","","","0.71073","MoKα","","0.0495","0.0312","","","0.0702","0.0806","","","","","","1.037","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021514","14.4058","0.0013","20.5848","0.0018","21.7051","0.0019","90","","90","","90","","6436.4","1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H18 Bi2 Cd N4 O19 -","- C28 H18 Bi2 Cd N4 O19 -","- C224 H144 Bi16 Cd8 N32 O152 -","8","1","","Zhang, Xiao-Ping; Wang, Dong-Gen; Su, Ying; Tian, Han-Rui; Lin, Jun-Jie; Feng, Yun-Long; Cheng, Jian-Wen","Luminescent 2D bismuth-cadmium-organic frameworks with tunable and white light emission by doping different lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10384","10387","10.1039/c3dt50826a","","","0.71073","MoKα","","","0.0308","","","0.0583","0.0649","","","","","","1.024","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021515","10.4573","0.0015","10.4573","0.0015","17.728","0.004","90","","90","","90","","1938.6","0.6","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C15 H10 Co2 N5 Na O9 -","- C15 H10 Co2 N5 Na O9 -","- C60 H40 Co8 N20 Na4 O36 -","4","0.5","","Zhao, Jiong-Peng; Yang, Qian; Han, Song-De; Han, Jie; Zhao, Ran; Hu, Bo-Wen; Bu, Xian-He","A chiral 2p-3d heterometallic azido complex with 2,6-pyridinedicarboxylate as the co-ligand showing magnetic order.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8201","8204","10.1039/c3dt50835h","","","0.71073","MoKα","","0.0377","0.0354","","","0.0633","0.064","","","","","","1.203","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021516","12.301","0.003","8.981","0.0018","11.865","0.002","90","","112.87","0.03","90","","1207.7","0.5","198","","198","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Br2 N4 -","- C26 H24 Br2 N4 -","- C52 H48 Br4 N8 -","2","0.5","","Tronnier, Alexander; Strassner, Thomas","(C^C*) Cyclometalated binuclear N-heterocyclic biscarbene platinum(ii) complexes - highly emissive phosphorescent emitters.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9847","9851","10.1039/c3dt50841b","","x-ray","0.71073","MoKα","","0.0685","0.0359","","","0.0683","0.079","","","","","","1.051","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021517","11.198","0.003","12.003","0.002","13.678","0.002","90","","94.38","0.03","90","","1833.1","0.6","198","","198","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H50 N4 O4 Pt2 -","- C36 H50 N4 O4 Pt2 -","- C72 H100 N8 O8 Pt4 -","2","0.5","","Tronnier, Alexander; Strassner, Thomas","(C^C*) Cyclometalated binuclear N-heterocyclic biscarbene platinum(ii) complexes - highly emissive phosphorescent emitters.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9847","9851","10.1039/c3dt50841b","","x-ray","0.71073","MoKα","","0.0275","0.0178","","","0.0368","0.0389","","","","","","1.152","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021518","11.342","0.002","19.88","0.003","12.638","0.0014","90","","101.411","0.009","90","","2793.3","0.7","198","","198","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H58 N4 O4 Pt2 -","- C56 H58 N4 O4 Pt2 -","- C112 H116 N8 O8 Pt4 -","2","0.5","","Tronnier, Alexander; Strassner, Thomas","(C^C*) Cyclometalated binuclear N-heterocyclic biscarbene platinum(ii) complexes - highly emissive phosphorescent emitters.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9847","9851","10.1039/c3dt50841b","","x-ray","0.71073","MoKα","","0.047","0.0286","","","0.0659","0.0696","","","","","","1.113","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021519","18.199","0.005","15.471","0.005","24.134","0.005","90","0.005","111.657","0.005","90","0.005","6315","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 Cl4 Co4 N10 O19 -","- C48 H52 Cl4 Co4 N10 O19 -","- C192 H208 Cl16 Co16 N40 O76 -","4","0.5","","Siddiqi, Zafar A.; Siddique, Armeen; Shahid, M.; Khalid, Mohd; Sharma, Prashant K.; Anjuli,; Ahmad, Musheer; Kumar, Sarvendra; Lan, Yanhua; Powell, Annie K.","Synthesis, crystal structure and magnetic studies of tetranuclear hydroxo and ligand bridged [Co4(μ3-OH)2(μ2-dea)2(L-L)4]4Cl·8H2O [L-L = 2,2'-bipyridine or 1,10-phenanthroline] complexes with mixed valence defect dicubane core.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9513","9522","10.1039/c3dt50854d","","","0.71069","MoKα","","0.101","0.0746","","","0.2136","0.2454","","","","","","1.057","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021520","15.483","0.002","13.791","0.002","15.873","0.002","90","","99.667","0.002","90","","3341.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H52 Cl4 Co4 N10 O20 -","- C56 H52 Cl4 Co4 N10 O20 -","- C112 H104 Cl8 Co8 N20 O40 -","2","0.5","","Siddiqi, Zafar A.; Siddique, Armeen; Shahid, M.; Khalid, Mohd; Sharma, Prashant K.; Anjuli,; Ahmad, Musheer; Kumar, Sarvendra; Lan, Yanhua; Powell, Annie K.","Synthesis, crystal structure and magnetic studies of tetranuclear hydroxo and ligand bridged [Co4(μ3-OH)2(μ2-dea)2(L-L)4]4Cl·8H2O [L-L = 2,2'-bipyridine or 1,10-phenanthroline] complexes with mixed valence defect dicubane core.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9513","9522","10.1039/c3dt50854d","","","0.71073","MoKα","","0.0626","0.049","","","0.1248","0.135","","","","","","1.057","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021521","24.694","0.005","17.544","0.005","17.59","0.005","90","0.005","113.591","0.005","90","0.005","6984","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Fe N10 -","- C42 H40 Fe N10 -","- C336 H320 Fe8 N80 -","8","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","Zwitterionic {Fe(i)Pc(-2)(-)}·(TMP(+)) assemblies comprising anionic iron(i) phthalocyanines and coordinating N,N,N'-trimethylpiperazinium cations.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9870","9876","10.1039/c3dt50855b","","","0.71073","MoKα","","0.0523","0.038","","","0.1015","0.1079","","","","","","1.025","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021522","24.6749","0.0004","17.5133","0.0003","17.5399","0.0003","90","","113.768","0.001","90","","6936.8","0.2","105","2","105","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H40 Fe N10 -","- C42 H40 Fe N10 -","- C336 H320 Fe8 N80 -","8","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","Zwitterionic {Fe(i)Pc(-2)(-)}·(TMP(+)) assemblies comprising anionic iron(i) phthalocyanines and coordinating N,N,N'-trimethylpiperazinium cations.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9870","9876","10.1039/c3dt50855b","","","0.71073","MoKα","","0.0358","0.0312","","","0.0837","0.0886","","","","","","1.025","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021523","12.4374","0.0012","16.7909","0.0014","16.8616","0.0017","90","","106.284","0.01","90","","3380","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 Co N10 -","- C39 H33 Co N10 -","- C156 H132 Co4 N40 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Lyubovskaya, Rimma N.","Zwitterionic {Fe(i)Pc(-2)(-)}·(TMP(+)) assemblies comprising anionic iron(i) phthalocyanines and coordinating N,N,N'-trimethylpiperazinium cations.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9870","9876","10.1039/c3dt50855b","","","0.71073","MoKα","","0.0725","0.0473","","","0.1123","0.127","","","","","","1.069","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021524","16.6125","0.0014","17.204","0.0014","24.08","0.002","90","","105.99","0.001","90","","6615.8","1","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H88 Fe N6 Nb9 O42.25 -","- C24 H87 Fe1.007 N6 Nb8.993 O42.115 -","- C96 H348 Fe4.028 N24 Nb35.972 O168.46 -","4","1","","Son, Jung-Ho; Ohlin, C André; Casey, William H.","Highly soluble iron- and nickel-substituted decaniobates with tetramethylammonium countercations.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7529","7533","10.1039/c3dt50887k","","","0.71073","MoKα","","0.041","0.0305","","","0.0692","0.0754","","","","","","1.069","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021525","12.912","0.0011","16.1127","0.0014","18.4177","0.0016","75.726","0.001","74.247","0.001","69.871","0.001","3412.5","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H70 N6 Nb9 Ni O45 -","- C24.16 H69.76 N6.14 Nb9 Ni O44.957 -","- C48.32 H139.52 N12.28 Nb18 Ni2 O89.914 -","2","1","","Son, Jung-Ho; Ohlin, C André; Casey, William H.","Highly soluble iron- and nickel-substituted decaniobates with tetramethylammonium countercations.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7529","7533","10.1039/c3dt50887k","","","0.71073","MoKα","","0.0534","0.0401","","","0.0795","0.0894","","","","","","1.176","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021526","16.7421","0.0002","16.7421","0.0002","14.3737","0.0003","90","","90","","120","","3489.15","0.09","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C54 H34 N0 O20 Zn3 -","- C54 H30 O20 Zn3 -","- C108 H60 O40 Zn6 -","2","0.166667","","Phang, Won Ju; Lee, Woo Ram; Yoo, Kicheon; Kim, Bongsoo; Hong, Chang Seop","Selective CO2 adsorption and proton conductivity in the two-dimensional Zn(ii) framework with protruded water molecules and flexible ether linkers.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","7850","7853","10.1039/c3dt50896j","","","0.71073","MoKα","","0.1284","0.0638","","","0.1722","0.1873","","","","","","1.06","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021527","9.6718","0.0015","10.0634","0.0015","12.5704","0.0018","76.287","0.002","79.545","0.002","62.738","0.002","1052.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Eu N4 O8 S -","- C20 H17 Eu N4 O8 S -","- C40 H34 Eu2 N8 O16 S2 -","2","1","","Song, Shuang; Li, Xia; Zhang, Yi-Hua","White light emission of an Eu(iii)-doped Gd(iii) complex with 3-sulfobenzoate and 1H-imidazo[4,5-f][1,10]-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10409","10412","10.1039/c3dt50897h","","","0.71073","MoKα","","0.0476","0.0409","","","0.0877","0.0949","","","","","","1.047","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021528","9.6724","0.001","10.0685","0.001","12.6032","0.0013","76.167","0.002","79.59","0.002","62.72","0.001","1055.63","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Gd N4 O8 S -","- C20 H17 Gd N4 O8 S -","- C40 H34 Gd2 N8 O16 S2 -","2","1","","Song, Shuang; Li, Xia; Zhang, Yi-Hua","White light emission of an Eu(iii)-doped Gd(iii) complex with 3-sulfobenzoate and 1H-imidazo[4,5-f][1,10]-phenanthroline.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10409","10412","10.1039/c3dt50897h","","","0.71073","MoKα","","0.0322","0.0306","","","0.0781","0.0792","","","","","","1.027","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021529","27.718","0.003","9.8144","0.001","20.41","0.002","90","","114.217","0.002","90","","5063.6","0.9","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H74 Li N2 O6 Y -","- C52 H74 Li N2 O6 Y -","- C208 H296 Li4 N8 O24 Y4 -","4","0.5","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.0779","0.0647","","","0.1688","0.1789","","","","","","1.065","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021530","27.682","0.002","9.835","0.0005","20.3641","0.0016","90","","114.208","0.002","90","","5056.6","0.6","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H74 Li N2 O6 Yb -","- C52 H74 Li N2 O6 Yb -","- C208 H296 Li4 N8 O24 Yb4 -","4","0.5","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.0577","0.0506","","","0.124","0.1285","","","","","","1.102","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021531","21.534","0.002","21.534","0.002","26.604","0.002","90","","90","","90","","12336.6","1.9","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Cl2 Li2 N3 O4 Si2 Y -","- C56 H64 Cl2 Li2 N3 O4 Si2 Y -","- C448 H512 Cl16 Li16 N24 O32 Si16 Y8 -","8","0.5","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.0801","0.0644","","","0.1572","0.1693","","","","","","1.09","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021532","21.4729","0.0017","21.4729","0.0017","26.555","0.002","90","","90","","90","","12244.1","1.7","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Cl2 Li2 N3 O4 Si2 Yb -","- C56 H64 Cl2 Li2 N3 O4 Si2 Yb -","- C448 H512 Cl16 Li16 N24 O32 Si16 Yb8 -","8","0.5","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.0576","0.042","","","0.1266","0.1398","","","","","","1.005","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021533","21.645","0.002","21.645","0.002","26.471","0.003","90","","90","","90","","12402","2","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Br2 Li2 N3 O4 Si2 Y -","- C56 H86 Br2 Li2 N3 O4 Si2 Y -","- C448 H688 Br16 Li16 N24 O32 Si16 Y8 -","8","0.5","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.1149","0.0754","","","0.1904","0.2201","","","","","","1.004","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021534","21.5857","0.0011","21.5857","0.0011","26.4362","0.0014","90","","90","","90","","12317.7","1.1","223","2","223","2","","","","","","","","8","I 41 c d","I 4bw -2c","110","","","","- C56 H86 Br2 Li2 N3 O4 Si2 Yb -","- C56 H84 Br2 Li2 N3 O4 Si2 Yb -","- C448 H672 Br16 Li16 N24 O32 Si16 Yb8 -","8","0.5","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.0611","0.0489","","","0.1246","0.1347","","","","","","0.895","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021535","11.8454","0.0004","21.7412","0.0008","23.3527","0.001","90","","90","","90","","6014.1","0.4","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H86 Cl2 Li2 N3 O4 Si2 Y -","- C56 H86 Cl2 Li2 N3 O4 Si2 Y -","- C224 H344 Cl8 Li8 N12 O16 Si8 Y4 -","4","1","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71073","MoKα","","0.1082","0.053","","","0.0808","0.0911","","","","","","0.995","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021536","11.752","0.003","21.587","0.005","23.405","0.005","90","","90","","90","","5938","2","223","2","223","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H86 Cl2 Li2 N3 O4 Si2 Yb -","- C56 H86 Cl2 Li2 N3 O4 Si2 Yb -","- C224 H344 Cl8 Li8 N12 O16 Si8 Yb4 -","4","1","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.097","0.0663","","","0.1576","0.1903","","","","","","1.084","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021537","16.5789","0.0008","16.5947","0.0008","17.4085","0.0013","81.215","0.007","76.87","0.007","68.303","0.006","4321.3","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H132 Li3 N3 O9 Y -","- C87 H111 Li3 N3 O9 Y -","- C174 H222 Li6 N6 O18 Y2 -","2","1","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.128","0.0947","","","0.2094","0.2318","","","","","","1.075","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021538","16.5384","0.001","16.5622","0.0008","17.3853","0.0013","81.372","0.006","76.812","0.006","68.451","0.005","4300.8","0.5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H132 Li3 N3 O9 Yb -","- C87 H111 Li3 N3 O9 Yb -","- C174 H222 Li6 N6 O18 Yb2 -","2","1","","Qiu, Jinshui; Lu, Min; Yao, Yingming; Zhang, Yong; Wang, Yaorong; Shen, Qi","Synthesis and characterization of bimetallic lanthanide-alkali metal complexes stabilized by aminophenoxy ligands and their catalytic activity for the polymerization of 2,2-dimethyltrimethylene carbonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10179","10189","10.1039/c3dt50918d","","","0.71075","MoKα","","0.0684","0.0591","","","0.1327","0.1389","","","","","","1.146","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021539","11.7504","0.001","14.4272","0.0012","8.9688","0.0008","90","","93.251","0.002","90","","1518","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","14-chloro-7,14-dihydro-5H-benzo(c)naphtho(1,2- f)(1,5)oxastibocine","","","- C18 H14 Cl O Sb -","- C18 H14 Cl O Sb -","- C72 H56 Cl4 O4 Sb4 -","4","1","","Tan, Nianyuan; Chen, Yi; Yin, Shuang-Feng; Qiu, Renhua; Zhou, Yongbo; Au, C. T.","Synthesis and structures of hypervalent organoantimony and organobismuth chlorides containing asymmetric C,E,C-chelating (E = O, S) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9476","9481","10.1039/c3dt50922b","","","0.71073","MoKα","","0.0455","0.0411","","","0.1079","0.1108","","","","","","1.053","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021540","20.5263","0.0019","15.856","0.0015","4.5578","0.0004","90","","90","","90","","1483.4","0.2","133","2","133","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H14 Bi Cl O -","- C18 H14 Bi Cl O -","- C72 H56 Bi4 Cl4 O4 -","4","1","","Tan, Nianyuan; Chen, Yi; Yin, Shuang-Feng; Qiu, Renhua; Zhou, Yongbo; Au, C. T.","Synthesis and structures of hypervalent organoantimony and organobismuth chlorides containing asymmetric C,E,C-chelating (E = O, S) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9476","9481","10.1039/c3dt50922b","","","0.71073","MoKα","","0.019","0.0154","","","0.0354","0.0365","","","","","","0.965","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021541","11.4234","0.0008","11.2183","0.0008","13.364","0.001","90","","111.428","0.001","90","","1594.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl S Sb -","- C18 H14 Cl S Sb -","- C72 H56 Cl4 S4 Sb4 -","4","1","","Tan, Nianyuan; Chen, Yi; Yin, Shuang-Feng; Qiu, Renhua; Zhou, Yongbo; Au, C. T.","Synthesis and structures of hypervalent organoantimony and organobismuth chlorides containing asymmetric C,E,C-chelating (E = O, S) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9476","9481","10.1039/c3dt50922b","","","0.71073","MoKα","","0.0284","0.0257","","","0.0658","0.0672","","","","","","1.052","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021542","11.694","0.0012","11.4596","0.0012","12.434","0.0013","90","","110.526","0.002","90","","1560.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Bi Cl S -","- C18 H14 Bi Cl S -","- C72 H56 Bi4 Cl4 S4 -","4","1","","Tan, Nianyuan; Chen, Yi; Yin, Shuang-Feng; Qiu, Renhua; Zhou, Yongbo; Au, C. T.","Synthesis and structures of hypervalent organoantimony and organobismuth chlorides containing asymmetric C,E,C-chelating (E = O, S) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9476","9481","10.1039/c3dt50922b","","","0.71073","MoKα","","0.0552","0.0482","","","0.1084","0.1118","","","","","","1.029","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021543","10.008","0.002","11.139","0.002","13.248","0.002","89.1","0.01","68.11","0.01","83.26","0.01","1360.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 Mn2 N3 O17 -","- C22 H21 Mn2 N3 O17 -","- C44 H42 Mn4 N6 O34 -","2","1","","Uhrecký, Róbert; Moncoľ, Ján; Koman, Marian; Titiš, Ján; Boča, Roman","Structure and magnetism of a Mn(iii)-Mn(ii)-Mn(ii)-Mn(iii) chain complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9490","9494","10.1039/c3dt50940k","","x-ray","0.71073","MoKα","","0.0824","0.0533","","","0.1243","0.1408","","","","","","1.029","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021544","15.5796","0.0004","9.4484","0.0002","19.0086","0.0004","90","","90","","90","","2798.11","0.11","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H21 Mo N O4 P2 -","- C30 H21 Mo N O4 P2 -","- C120 H84 Mo4 N4 O16 P8 -","4","1","","Niaz, Basit; Ghalib, Mohammed; Jones, Peter G.; Heinicke, Joachim W.","π-Excess σ(2)P ligands: synthesis of biaryl-type 1,3-benzazaphosphole hybrid ligands and formation of P^P'-M(CO)4 chelate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9523","9532","10.1039/c3dt50981h","","","0.71073","MoKα","","0.029","0.0242","","","0.0497","0.0521","","","","","","1.085","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021545","10.2409","0.0002","24.9665","0.0005","17.3333","0.0003","90","","91.082","0.002","90","","4430.98","0.15","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H16 Cl4 N15 O9 Re3 -","- C29 H16 Cl4 N15 O9 Re3 -","- C116 H64 Cl16 N60 O36 Re12 -","4","1","","Wright, Phillip J.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Lee, Jackson; Koutsantonis, George; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano","One-step assembly of Re(i) tricarbonyl 2-pyridyltetrazolato metallacalix[3]arene with aqua emission and reversible three-electron oxidation.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8188","8191","10.1039/c3dt50988e","","","0.71073","MoKα","","0.0839","0.0801","","","0.1642","0.1659","","","","","","1.32","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021546","16.4869","0.0002","17.6567","0.00017","18.6916","0.00019","90","","90","","90","","5441.2","0.1","293","","293","","","","","","","","see text","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cu F6 N2 O2 P3 -","- C58 H54 Cu F6 N2 O2 P3 -","- C232 H216 Cu4 F24 N8 O8 P12 -","4","1","","Czerwieniec, Rafał; Kowalski, Konrad; Yersin, Hartmut","Highly efficient thermally activated fluorescence of a new rigid Cu(i) complex [Cu(dmp)(phanephos)](+).","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9826","9830","10.1039/c3dt51006a","","x-ray","1.54184","CuKα","","0.0401","0.0387","","","0.1057","0.1075","","","","","","1.003","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021547","16.5204","0.0004","17.5982","0.0003","18.737","0.0003","90","","90","","90","","5447.39","0.18","297","","297","","","","","","","","see text","7","P 21 21 21","P 2ac 2ab","19","","","","- C58 H54 Cu F6 N2 O2 P3 -","- C58 H54 Cu F6 N2 O2 P3 -","- C232 H216 Cu4 F24 N8 O8 P12 -","4","1","","Czerwieniec, Rafał; Kowalski, Konrad; Yersin, Hartmut","Highly efficient thermally activated fluorescence of a new rigid Cu(i) complex [Cu(dmp)(phanephos)](+).","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9826","9830","10.1039/c3dt51006a","","x-ray","1.54184","CuKα","","0.0526","0.0457","","","0.119","0.1275","","","","","","1.026","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021548","31.951","0.003","10.1535","0.0008","10.6068","0.0008","90","","90","","90","","3441","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H30 B10 Ir N3 -","- C29 H30 B10 Ir N3 -","- C116 H120 B40 Ir4 N12 -","4","1","","Bae, Hye Jin; Kim, Hyungjun; Lee, Kang Mun; Kim, Taewon; Eo, Maengsun; Lee, Yoon Sup; Do, Youngkyu; Lee, Min Hyung","Heteroleptic tris-cyclometalated iridium(iii) complexes supported by an o-carboranyl-pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8549","8552","10.1039/c3dt51019k","","","0.71073","MoKα","","0.0711","0.0521","","","0.1279","0.1357","","","","","","1.028","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021549","36.952","0.003","10.8814","0.0008","15.992","0.0012","90","","108.927","0.003","90","","6082.6","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 B10 F4 Ir N3 -","- C29 H26 B10 F4 Ir N3 -","- C232 H208 B80 F32 Ir8 N24 -","8","1","","Bae, Hye Jin; Kim, Hyungjun; Lee, Kang Mun; Kim, Taewon; Eo, Maengsun; Lee, Yoon Sup; Do, Youngkyu; Lee, Min Hyung","Heteroleptic tris-cyclometalated iridium(iii) complexes supported by an o-carboranyl-pyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8549","8552","10.1039/c3dt51019k","","","0.71073","MoKα","","0.0802","0.0589","","","0.181","0.2022","","","","","","1.033","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021550","5.7162","0.001","15.008","0.003","15.078","0.002","74.238","0.012","83.545","0.013","80.741","0.014","1225.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 N O3 -","- C16 H11 N O3 -","- C64 H44 N4 O12 -","4","2","","Guha, Subarna; Lohar, Sisir; Sahana, Animesh; Banerjee, Arnab; Safin, Damir A.; Babashkina, Maria G.; Mitoraj, Mariusz P.; Bolte, Michael; Garcia, Yann; Mukhopadhyay, Subhra Kanti; Das, Debasis","A coumarin-based ""turn-on"" fluorescent sensor for the determination of Al(3+): single crystal X-ray structure and cell staining properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10198","10207","10.1039/c3dt51045j","","","0.71073","MoKα","","0.147","0.0733","","","0.1841","0.2091","","","","","","0.959","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021551","13.9687","0.0009","13.9687","0.0009","57.126","0.008","90","","90","","120","","9653.3","1.6","150","2","150","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C54 H108 Bi4 I24 Na4 O18 Pt2 -","- C45 H90 Bi4 I24 Na4 O15 Pt2 -","- C135 H270 Bi12 I72 Na12 O45 Pt6 -","3","0.166667","","Adonin, Sergey A.; Sokolov, Maxim N.; Smolentsev, Anton I.; Kozlova, Svetlana G.; Fedin, Vladimir P.","[PtBi2I12](2-): the first polyiodobismuthate containing an octahedral heterometallic unit.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9818","9821","10.1039/c3dt51048d","","","0.71073","MoKα","","0.0979","0.0775","","","0.1885","0.2043","","","","","","0.981","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021552","8.789","0.0008","10.408","0.001","13.7962","0.0013","91.428","0.004","106.792","0.003","114.206","0.003","1087.02","0.18","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H74 Cl4 N2 O4 P4 Ru2 -","- C32 H74 Cl4 N2 O4 P4 Ru2 -","- C32 H74 Cl4 N2 O4 P4 Ru2 -","1","0.5","","Sgro, Michael J.; Stephan, Douglas W.","Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10460","10472","10.1039/c3dt51065d","","","0.71073","MoKα","","0.0244","0.0208","","","0.0495","0.051","","","","","","1.039","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021553","14.3095","0.0013","15.5198","0.0012","22.333","0.002","90","","90","","90","","4959.7","0.7","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C16.5 H38 Cl2.5 F3 N O2 P2.5 Ru -","- C16.5 H38 Cl2.5 F3 N O2 P2.5 Ru -","- C132 H304 Cl20 F24 N8 O16 P20 Ru8 -","8","2","","Sgro, Michael J.; Stephan, Douglas W.","Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10460","10472","10.1039/c3dt51065d","","","0.71073","MoKα","","0.0351","0.0298","","","0.0654","0.0677","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021554","21.9644","0.0008","17.3583","0.0008","20.1248","0.0009","90","","90.167","0.003","90","","7672.8","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H53 Cl N O2 P3 Ru -","- C34 H53 Cl N O2 P3 Ru -","- C272 H424 Cl8 N8 O16 P24 Ru8 -","8","1","","Sgro, Michael J.; Stephan, Douglas W.","Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10460","10472","10.1039/c3dt51065d","","","0.71073","MoKα","","0.0771","0.0431","","","0.0826","0.0917","","","","","","0.936","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021555","11.0475","0.0002","17.0485","0.0004","13.8434","0.0003","90","","90","","90","","2607.31","0.1","150","2","150","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C21 H42 Cl N O2 P2 Ru S -","- C21 H42 Cl N O2 P2 Ru S -","- C84 H168 Cl4 N4 O8 P8 Ru4 S4 -","4","0.5","","Sgro, Michael J.; Stephan, Douglas W.","Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10460","10472","10.1039/c3dt51065d","","","0.71073","MoKα","","0.0327","0.0241","","","0.0542","0.0577","","","","","","1.043","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021556","13.6707","0.0006","13.3994","0.0005","21.017","0.0008","90","","93.096","0.001","90","","3844.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H57 B N O2 P2 Ru -","- C40 H57 B N O2 P2 Ru -","- C160 H228 B4 N4 O8 P8 Ru4 -","4","1","","Sgro, Michael J.; Stephan, Douglas W.","Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10460","10472","10.1039/c3dt51065d","","","0.71073","MoKα","","0.0404","0.0288","","","0.0661","0.0711","","","","","","1.023","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021557","13.1172","0.0016","13.3573","0.0017","13.6408","0.0015","86.498","0.006","86.588","0.006","71.613","0.006","2261.7","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H60 B O2 P2 Ru S -","- C43 H60 B O2 P2 Ru S -","- C86 H120 B2 O4 P4 Ru2 S2 -","2","1","","Sgro, Michael J.; Stephan, Douglas W.","Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10460","10472","10.1039/c3dt51065d","","","0.71073","MoKα","","0.0447","0.0349","","","0.0849","0.088","","","","","","1.125","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021558","12.735","0.0006","14.0486","0.0007","16.8712","0.0009","92.955","0.002","92.82","0.002","92.267","0.002","3008.1","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H56 B F20 N2 O2 P3 Ru -","- C60 H56 B F20 N2 O2 P3 Ru -","- C120 H112 B2 F40 N4 O4 P6 Ru2 -","2","1","","Sgro, Michael J.; Stephan, Douglas W.","Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10460","10472","10.1039/c3dt51065d","","","0.71073","MoKα","","0.0949","0.0542","","","0.1094","0.1271","","","","","","1.024","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021559","18.4105","0.0007","20.4109","0.0008","15.146","0.0006","90","","126.075","0.001","90","","4600.1","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H38 Cl N O3 P2 Ru -","- C17 H38 Cl N O3 P2 Ru -","- C136 H304 Cl8 N8 O24 P16 Ru8 -","8","1","","Sgro, Michael J.; Stephan, Douglas W.","Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10460","10472","10.1039/c3dt51065d","","","0.71073","MoKα","","0.025","0.0198","","","0.0467","0.0489","","","","","","1.023","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021560","8.8302","0.0015","13.451","0.002","15.359","0.002","81.154","0.007","74.718","0.007","74.475","0.007","1688.7","0.4","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C23 H43 Cl2 F6 N O3 P3 Ru S -","- C23 H43 Cl2 F6 N O3 P3 Ru S -","- C46 H86 Cl4 F12 N2 O6 P6 Ru2 S2 -","2","1","","Sgro, Michael J.; Stephan, Douglas W.","Synthesis and reactivity of ruthenium tridentate bis-phosphinite ligand complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10460","10472","10.1039/c3dt51065d","","","0.71073","MoKα","","0.1106","0.0896","","","0.2465","0.2672","","","","","","1.047","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021561","12.0452","0.0008","12.2168","0.0008","12.2741","0.0008","64.398","0.003","89.331","0.003","87.037","0.003","1626.55","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Complex 2","","","- C34 H39 B Mn N6 Si -","- C34 H39 B Mn N6 Si -","- C68 H78 B2 Mn2 N12 Si2 -","2","1","","Abubekerov, Mark; Gianetti, Thomas L.; Kunishita, Atsushi; Arnold, John","Synthesis and characterization of coordinatively unsaturated nickel(ii) and manganese(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methylpyrazolyl)borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10525","10532","10.1039/c3dt51087e","","","0.71073","MoKα","","0.0351","0.0314","","","0.0798","0.0821","","","","","","1.049","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021562","22.9501","0.0008","12.0224","0.0004","24.0508","0.0008","90","","107.811","0.001","90","","6317.9","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Complex 3","","","- C37 H35 B Mn N6 -","- C37 H35 B Mn N6 -","- C296 H280 B8 Mn8 N48 -","8","1","","Abubekerov, Mark; Gianetti, Thomas L.; Kunishita, Atsushi; Arnold, John","Synthesis and characterization of coordinatively unsaturated nickel(ii) and manganese(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methylpyrazolyl)borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10525","10532","10.1039/c3dt51087e","","","0.71073","MoKα","","0.0426","0.033","","","0.0813","0.0864","","","","","","1.033","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021563","12.3893","0.0009","12.8526","0.0009","14.1272","0.001","94.844","0.001","111.526","0.001","117.125","0.001","1774.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Complex 5","","","- C37 H44 B N6 Ni Si -","- C37 H44 B N6 Ni Si -","- C74 H88 B2 N12 Ni2 Si2 -","2","1","","Abubekerov, Mark; Gianetti, Thomas L.; Kunishita, Atsushi; Arnold, John","Synthesis and characterization of coordinatively unsaturated nickel(ii) and manganese(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methylpyrazolyl)borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10525","10532","10.1039/c3dt51087e","","","0.71073","MoKα","","0.0351","0.0319","","","0.0852","0.0883","","","","","","1.037","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021564","10.7957","0.0005","15.6599","0.0007","20.4875","0.0009","90","","90.995","0.002","90","","3463.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Complex 6","","","- C40 H40 B N6 Ni -","- C40 H40 B N6 Ni -","- C160 H160 B4 N24 Ni4 -","4","1","","Abubekerov, Mark; Gianetti, Thomas L.; Kunishita, Atsushi; Arnold, John","Synthesis and characterization of coordinatively unsaturated nickel(ii) and manganese(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methylpyrazolyl)borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10525","10532","10.1039/c3dt51087e","","","0.71073","MoKα","","0.0546","0.0372","","","0.0879","0.0952","","","","","","1.051","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021565","11.661","0.005","12.019","0.005","15.17","0.005","81.193","0.005","86.609","0.005","61.264","0.005","1842","1.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","Complex 9","","","- C40 H41 B Cl N8 Ni O -","- C40 H38 B Cl N8 Ni O -","- C80 H76 B2 Cl2 N16 Ni2 O2 -","2","1","","Abubekerov, Mark; Gianetti, Thomas L.; Kunishita, Atsushi; Arnold, John","Synthesis and characterization of coordinatively unsaturated nickel(ii) and manganese(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methylpyrazolyl)borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10525","10532","10.1039/c3dt51087e","","","0.71069","MoKα","","0.0392","0.0376","","","0.104","0.1059","","","","","","1.038","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021566","11.6788","0.0013","15.9571","0.0018","15.433","0.0018","90","","98.832","0.002","90","","2842","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Complex 11","","","- C30 H28 B N9 Ni -","- C30 H28 B N9 Ni -","- C120 H112 B4 N36 Ni4 -","4","1","","Abubekerov, Mark; Gianetti, Thomas L.; Kunishita, Atsushi; Arnold, John","Synthesis and characterization of coordinatively unsaturated nickel(ii) and manganese(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methylpyrazolyl)borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10525","10532","10.1039/c3dt51087e","","","0.71073","MoKα","","0.0327","0.0278","","","0.0705","0.0744","","","","","","1.038","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021567","11.6205","0.0013","16.0625","0.0018","15.439","0.0017","90","","98.804","0.002","90","","2847.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Complex 12","","","- C30 H28 B Co N9 -","- C30 H28 B Co N9 -","- C120 H112 B4 Co4 N36 -","4","1","","Abubekerov, Mark; Gianetti, Thomas L.; Kunishita, Atsushi; Arnold, John","Synthesis and characterization of coordinatively unsaturated nickel(ii) and manganese(ii) alkyl complexes supported by the hydrotris(3-phenyl-5-methylpyrazolyl)borate (Tp(Ph,Me)) ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10525","10532","10.1039/c3dt51087e","","","0.71073","MoKα","","0.0302","0.0265","","","0.068","0.071","","","","","","1.059","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021568","8.795","0.0018","17.516","0.004","20.637","0.004","90","","90","","90","","3179.2","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cd2 K2 O35 Ru4 -","- C8 H16 Cd2 K2 O35 Ru4 -","- C32 H64 Cd8 K8 O140 Ru16 -","4","1","","Liu, Bin; Jia, Yan-Yan; Jin, Jin; Liu, Xue-Mei; Wang, Dan; Xue, Gang-Lin","Cadmium diruthenium(ii,iii) carbonates showing diverse magnetism behavior arising from variety configuration of [Ru2(CO3)4]n(3n-) layer.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10208","10213","10.1039/c3dt51143j","","","0.71073","MoKα","","0.0738","0.0579","","","0.1125","0.1187","","","","","","1.074","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021569","9.3611","0.0019","9.921","0.002","10.015","0.002","85.03","0.03","85.81","0.03","65.09","0.03","839.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H8 Cd K O18 Ru2 -","- C4 H8 Cd K O18 Ru2 -","- C8 H16 Cd2 K2 O36 Ru4 -","2","1","","Liu, Bin; Jia, Yan-Yan; Jin, Jin; Liu, Xue-Mei; Wang, Dan; Xue, Gang-Lin","Cadmium diruthenium(ii,iii) carbonates showing diverse magnetism behavior arising from variety configuration of [Ru2(CO3)4]n(3n-) layer.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10208","10213","10.1039/c3dt51143j","","","0.71073","MoKα","","0.0511","0.0372","","","0.0686","0.0728","","","","","","1.068","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021570","7.5111","0.0004","27.2939","0.0015","12.9838","0.0007","90","","98.115","0.001","90","","2635.1","0.2","292","2","292","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br Cl2 N4 O4 Re S -","- C21 H20 Br Cl2 N4 O4 Re S -","- C84 H80 Br4 Cl8 N16 O16 Re4 S4 -","4","1","","Piccinonna, Sara; Margiotta, Nicola; Denora, Nunzio; Iacobazzi, Rosa Maria; Pacifico, Concetta; Trapani, Giuseppe; Natile, Giovanni","A model radiopharmaceutical agent targeted to translocator protein 18 kDa (TSPO).","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10112","10115","10.1039/c3dt51152a","","","0.71073","MoKα","","0.0492","0.0388","","","0.0905","0.0945","","","","","","1.151","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021571","15.8421","0.0013","9.9106","0.0008","20.5688","0.0018","90","","107.095","0.002","90","","3086.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Eu N5 O18 Sr -","- C24 H26 Eu N5 O18 Sr -","- C96 H104 Eu4 N20 O72 Sr4 -","4","1","","Chen, Yanmei; Chen, Wenqian; Ju, Zhenghua; Gao, Qian; Lei, Tao; Liu, Wei; Li, Yahong; Gao, Dandan; Li, Wu","Synthesis, structures and luminescent properties of a series of novel Sr(II)-Ln(III) (Ln = Eu, Gd, Tb) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10495","10502","10.1039/c3dt51184g","","","0.71073","MoKα","","0.0543","0.0294","","","0.0554","0.0632","","","","","","0.996","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021572","15.786","0.003","9.866","0.002","20.468","0.004","90","","106.93","0.03","90","","3049.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Gd N5 O18 Sr -","- C24 H26 Gd N5 O18 Sr -","- C96 H104 Gd4 N20 O72 Sr4 -","4","1","","Chen, Yanmei; Chen, Wenqian; Ju, Zhenghua; Gao, Qian; Lei, Tao; Liu, Wei; Li, Yahong; Gao, Dandan; Li, Wu","Synthesis, structures and luminescent properties of a series of novel Sr(II)-Ln(III) (Ln = Eu, Gd, Tb) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10495","10502","10.1039/c3dt51184g","","","0.71073","MoKα","","0.0328","0.0233","","","0.0531","0.0565","","","","","","1.036","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021573","15.814","0.0017","9.9086","0.0011","20.5","0.002","90","","106.963","0.002","90","","3072.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N5 O18 Sr Tb -","- C24 H26 N5 O18 Sr Tb -","- C96 H104 N20 O72 Sr4 Tb4 -","4","1","","Chen, Yanmei; Chen, Wenqian; Ju, Zhenghua; Gao, Qian; Lei, Tao; Liu, Wei; Li, Yahong; Gao, Dandan; Li, Wu","Synthesis, structures and luminescent properties of a series of novel Sr(II)-Ln(III) (Ln = Eu, Gd, Tb) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10495","10502","10.1039/c3dt51184g","","","0.71073","MoKα","","0.0524","0.0362","","","0.087","0.0946","","","","","","0.981","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021574","10.4001","0.0012","11.0984","0.0014","30.433","0.004","88.442","0.002","87.604","0.002","79.857","0.002","3454.1","0.7","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H64 Eu2 N14 O35 Sr -","- C56 H64 Eu2 N14 O35 Sr -","- C112 H128 Eu4 N28 O70 Sr2 -","2","1","","Chen, Yanmei; Chen, Wenqian; Ju, Zhenghua; Gao, Qian; Lei, Tao; Liu, Wei; Li, Yahong; Gao, Dandan; Li, Wu","Synthesis, structures and luminescent properties of a series of novel Sr(II)-Ln(III) (Ln = Eu, Gd, Tb) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10495","10502","10.1039/c3dt51184g","","","0.71073","MoKα","","0.0638","0.0418","","","0.0815","0.0884","","","","","","1.008","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021575","10.391","0.0013","11.05","0.0014","30.378","0.004","88.423","0.003","87.529","0.003","79.069","0.002","3420.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H62 Gd2 N14 O34 Sr -","- C56 H62 Gd2 N14 O34 Sr -","- C112 H124 Gd4 N28 O68 Sr2 -","2","1","","Chen, Yanmei; Chen, Wenqian; Ju, Zhenghua; Gao, Qian; Lei, Tao; Liu, Wei; Li, Yahong; Gao, Dandan; Li, Wu","Synthesis, structures and luminescent properties of a series of novel Sr(II)-Ln(III) (Ln = Eu, Gd, Tb) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10495","10502","10.1039/c3dt51184g","","","0.71073","MoKα","","0.0587","0.038","","","0.0808","0.0892","","","","","","0.972","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021576","10.041","0.002","10.319","0.002","16.084","0.003","81.35","0.03","71.99","0.03","88.95","0.03","1566.1","0.6","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Gd N5 O19 Sr -","- C24 H26 Gd N5 O19 Sr -","- C48 H52 Gd2 N10 O38 Sr2 -","2","1","","Chen, Yanmei; Chen, Wenqian; Ju, Zhenghua; Gao, Qian; Lei, Tao; Liu, Wei; Li, Yahong; Gao, Dandan; Li, Wu","Synthesis, structures and luminescent properties of a series of novel Sr(II)-Ln(III) (Ln = Eu, Gd, Tb) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10495","10502","10.1039/c3dt51184g","","","0.71073","MoKα","","0.0744","0.0661","","","0.1964","0.2036","","","","","","1.173","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021577","9.992","0.003","10.253","0.003","16.044","0.004","81.491","0.004","71.916","0.004","88.873","0.005","1544.7","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 N5 O19 Sr Tb -","- C24 H24 N5 O19 Sr Tb -","- C48 H48 N10 O38 Sr2 Tb2 -","2","1","","Chen, Yanmei; Chen, Wenqian; Ju, Zhenghua; Gao, Qian; Lei, Tao; Liu, Wei; Li, Yahong; Gao, Dandan; Li, Wu","Synthesis, structures and luminescent properties of a series of novel Sr(II)-Ln(III) (Ln = Eu, Gd, Tb) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10495","10502","10.1039/c3dt51184g","","","0.71073","MoKα","","0.0709","0.0582","","","0.1504","0.1617","","","","","","1.049","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021578","10.209","0.002","11.125","0.002","17.304","0.004","71.36","0.03","74.96","0.03","78.85","0.03","1785.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Gd N5 O21 Sr -","- C26 H34 Gd N5 O21 Sr -","- C52 H68 Gd2 N10 O42 Sr2 -","2","1","","Chen, Yanmei; Chen, Wenqian; Ju, Zhenghua; Gao, Qian; Lei, Tao; Liu, Wei; Li, Yahong; Gao, Dandan; Li, Wu","Synthesis, structures and luminescent properties of a series of novel Sr(II)-Ln(III) (Ln = Eu, Gd, Tb) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10495","10502","10.1039/c3dt51184g","","","0.71073","MoKα","","0.03","0.0257","","","0.0648","0.0668","","","","","","1.04","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021579","6.7742","0.001","15.937","0.003","8.1168","0.0014","90","","113.16","0.01","90","","805.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H4 Gd Na O17 -","- C10 H4 Gd Na O17 -","- C20 H8 Gd2 Na2 O34 -","2","0.5","","Goswami, Soumyabrata; Adhikary, Amit; Jena, Himanshu Sekhar; Konar, Sanjit","Lanthanide based coordination polymers chill, relax under magnetic field and also fluoresce.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9813","9817","10.1039/c3dt51195b","","","0.71073","MoKα","","0.0171","0.0166","","","0.0416","0.0419","","","","","","1.099","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021580","6.8297","0.0009","16.024","0.003","8.149","0.0013","90","","113.076","0.009","90","","820.5","0.2","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H4 Na Nd O17 -","- C10 H4 Na Nd O17 -","- C20 H8 Na2 Nd2 O34 -","2","0.5","","Goswami, Soumyabrata; Adhikary, Amit; Jena, Himanshu Sekhar; Konar, Sanjit","Lanthanide based coordination polymers chill, relax under magnetic field and also fluoresce.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9813","9817","10.1039/c3dt51195b","","","0.71073","MoKα","","0.0346","0.0337","","","0.1195","0.1204","","","","","","1.067","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021581","6.7395","0.0005","15.8784","0.0014","8.0974","0.0006","90","","113.127","0.005","90","","796.89","0.11","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C10 H4 Dy Na O17 -","- C10 H4 Dy Na O17 -","- C20 H8 Dy2 Na2 O34 -","2","0.5","","Goswami, Soumyabrata; Adhikary, Amit; Jena, Himanshu Sekhar; Konar, Sanjit","Lanthanide based coordination polymers chill, relax under magnetic field and also fluoresce.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9813","9817","10.1039/c3dt51195b","","","0.71073","MoKα","","0.0162","0.016","","","0.0353","0.0354","","","","","","1.064","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021582","8.6722","0.0015","24.417","0.004","3.9321","0.0006","90","","103.73","0.04","90","","808.8","0.3","120","2","120","2","","","","","","","","3","C 1 m 1","C -2y","8","","1,3-Bis(1-isoquinolyl)benzene","","- C24 H16 N2 -","- C24 H16 N2 -","- C48 H32 N4 -","2","0.5","","Gildea, Louise F.; Batsanov, Andrei S.; Williams, J. A. Gareth","Bright orange/red-emitting rhodium(iii) and iridium(iii) complexes: tridentate N^C^N-cyclometallating ligands lead to high luminescence efficiencies.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10388","10393","10.1039/c3dt51211h","","","0.71073","MoKα","","0.0618","0.0442","","","0.1014","0.112","","","","","","1.04","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021583","12.7369","0.0005","20.9651","0.0009","15.5635","0.0009","90","","110.547","0.014","90","","3891.5","0.5","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H23 Cl10 D3 N3 Rh -","- C38 H23 Cl10 D3 N3 Rh -","- C152 H92 Cl40 D12 N12 Rh4 -","4","1","","Gildea, Louise F.; Batsanov, Andrei S.; Williams, J. A. Gareth","Bright orange/red-emitting rhodium(iii) and iridium(iii) complexes: tridentate N^C^N-cyclometallating ligands lead to high luminescence efficiencies.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10388","10393","10.1039/c3dt51211h","","x-ray","0.71073","MoKα","K-L~3~","0.0682","0.0571","","","0.1498","0.1559","","","","","","2.047","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021584","10.6873","0.0011","32.019","0.004","14.1789","0.0019","90","","104.476","0.013","90","","4697.9","1","120","","120","","","","","","","","","6","I 1 m 1","I -2y","8","","","","- C36.67 H31 Cl Ir N3 O2.33 -","- C36.6667 H28.6667 Cl Ir N3 O2.33333 -","- C220 H172 Cl6 Ir6 N18 O14 -","6","1.5","","Gildea, Louise F.; Batsanov, Andrei S.; Williams, J. A. Gareth","Bright orange/red-emitting rhodium(iii) and iridium(iii) complexes: tridentate N^C^N-cyclometallating ligands lead to high luminescence efficiencies.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10388","10393","10.1039/c3dt51211h","","x-ray","0.71073","MoKα","K-L~3~","0.0754","0.0504","","","0.0972","0.108","","","","","","1.024","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021585","26.076","0.002","14.2392","0.0011","22.762","0.003","90","","122.822","0.001","90","","7102.3","1.2","191","2","191","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C53 H76 Cl2 Dy3 N5 O29 -","- C53 H68 Cl2 Dy3 N5 O29 -","- C212 H272 Cl8 Dy12 N20 O116 -","4","1","","Shen, Si; Xue, Shufang; Lin, Shuang-Yan; Zhao, Lang; Tang, Jinkui","A triangular dysprosium with asymmetric central caps featuring ferromagnetic coupling and single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10413","10416","10.1039/c3dt51235e","","","0.71073","MoKα","","0.067","0.054","","","0.1326","0.1412","","","","","","1.033","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021586","8.105","0.002","11.65","0.003","19.084","0.005","95.968","0.002","93.914","0.003","97.898","0.002","1769","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 B N O2 Pt -","- C44 H40 B N O2 Pt -","- C88 H80 B2 N2 O4 Pt2 -","2","1","","Blight, Barry A.; Ko, Soo-Byung; Lu, Jia-Sheng; Smith, Larissa F.; Wang, Suning","Triarylboryl-functionalized dibenzoylmethane and its phosphorescent platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10089","10092","10.1039/c3dt51276b","","","0.71073","MoKα","","0.0716","0.0567","","","0.1362","0.1451","","","","","","1.02","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021587","51.501","0.004","8.4801","0.0006","25.3881","0.0018","90","","118.567","0.001","90","","9738","1.2","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H57 B N2 O2 Pt -","- C58 H57 B N2 O2 Pt -","- C464 H456 B8 N16 O16 Pt8 -","8","1","","Blight, Barry A.; Ko, Soo-Byung; Lu, Jia-Sheng; Smith, Larissa F.; Wang, Suning","Triarylboryl-functionalized dibenzoylmethane and its phosphorescent platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10089","10092","10.1039/c3dt51276b","","","0.71073","MoKα","","0.071","0.0392","","","0.0733","0.0847","","","","","","1.022","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7021588","7.9854","0.0005","22.7479","0.0013","14.3669","0.0008","90","","105.057","0.001","90","","2520.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl4 N4 Pd -","- C22 H30 Cl4 N4 Pd -","- C88 H120 Cl16 N16 Pd4 -","4","1","","Kinzhalov, Mikhail A.; Boyarskiy, Vadim P.; Luzyanin, Konstantin V.; Dolgushin, Fedor M.; Kukushkin, Vadim Yu","Metal-mediated coupling of a coordinated isocyanide and indazoles.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10394","10397","10.1039/c3dt51335a","","","0.71073","MoKα","","0.0565","0.0391","","","0.0881","0.0978","","","","","","1.073","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021589","10.668","0.002","22.405","0.004","20.083","0.004","90","","104.66","0.03","90","","4643.9","1.6","240","1","240","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Moris-205 (Elena)","","","- C30 H60 Cl3 Li N8 Si4 U -","- C30 H60 Cl3 Li N8 Si4 U -","- C120 H240 Cl12 Li4 N32 Si16 U4 -","4","1","","Domeshek, Elena; Batrice, Rami J.; Aharonovich, Sinai; Tumanskii, Boris; Botoshansky, Mark; Eisen, Moris S.","Organoactinides in the polymerization of ethylene: is TIBA a better cocatalyst than MAO?","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9069","9078","10.1039/c3dt00032j","","","0.71073","MoKα","","0.0746","0.0401","","","0.0736","0.0802","","","","","","0.892","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021590","12.437","0.003","15.925","0.004","17.87","0.004","90","","101.657","0.004","90","","3466.3","1.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 B10 O P S2 -","- C29 H43 B10 O P S2 -","- C116 H172 B40 O4 P4 S8 -","4","1","","Hu, Ping; Qiao, Ya-Lin; Li, Zhen-Hua; Wang, Jian-Qiang; Jin, Guo-Xin","Ethylene polymerization by new chromium catalysts based on carborane [SSO] ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9089","9095","10.1039/c3dt00040k","","","0.71073","MoKα","","0.1313","0.0541","","","0.1305","0.1616","","","","","","0.98","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021591","17.658","0.009","13.195","0.006","16.613","0.008","90","","104.052","0.007","90","","3755","3","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 Cl3 N4 V -","- C37 H50 Cl3 N4 V -","- C148 H200 Cl12 N16 V4 -","4","1","","Perry, Mitchell R.; Allan, Laura E. N.; Decken, Andreas; Shaver, Michael P.","Organometallic mediated radical polymerization of vinyl acetate using bis(imino)pyridine vanadium trichloride complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9157","9165","10.1039/c3dt32625j","","x-ray","0.71073","MoKα","","0.107","0.0495","","","0.1072","0.121","","","","","","0.945","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021592","19.323","0.002","11.4292","0.0014","27.637","0.003","90","","90","","90","","6103.5","1.2","198","1","198","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C33 H26 Cl3 N4 V -","- C33 H26 Cl3 N4 V -","- C264 H208 Cl24 N32 V8 -","8","1","","Perry, Mitchell R.; Allan, Laura E. N.; Decken, Andreas; Shaver, Michael P.","Organometallic mediated radical polymerization of vinyl acetate using bis(imino)pyridine vanadium trichloride complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9157","9165","10.1039/c3dt32625j","","x-ray","0.71073","MoKα","","0.1619","0.0651","","","0.1201","0.1702","","","","","","1.161","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021593","18.1815","0.0004","12.0062","0.0002","18.7241","0.0004","90","","101.721","0.002","90","","4002.07","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H67 B N3 Si6 U -","- C26 H67 B N3 Si6 U -","- C104 H268 B4 N12 Si24 U4 -","4","1","","Mansell, Stephen M.; Bonnet, Fanny; Visseaux, Marc; Arnold, Polly L.","Uranium(iv) amido-borohydrides as highly active diene polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9033","9039","10.1039/c3dt50131k","","","1.54178","CuKα","","0.1132","0.1109","","","0.2793","0.2806","","","","","","1.07","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021594","12.6359","0.0001","12.6359","0.0001","22.6693","0.0002","90","","90","","90","","3619.52","0.05","170","2","170","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C28 H64 B2 N2 Si4 U -","- C28 H64 B2 N2 Si4 U -","- C112 H256 B8 N8 Si16 U4 -","4","0.5","","Mansell, Stephen M.; Bonnet, Fanny; Visseaux, Marc; Arnold, Polly L.","Uranium(iv) amido-borohydrides as highly active diene polymerisation catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9033","9039","10.1039/c3dt50131k","","","0.71073","MoKα","","0.0311","0.0256","","","0.05","0.0515","","","","","","1.089","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021595","14.702","0.002","11.0049","0.0018","18.445","0.003","90","","97.953","0.002","90","","2955.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 Cl2 N Si Zr -","- C29 H41 Cl2 N Si Zr -","- C116 H164 Cl8 N4 Si4 Zr4 -","4","1","","Chai, Jianfang; Abboud, Khalil A.; Miller, Stephen A.","Sterically expanded CGC catalysts: substituent effects on ethylene and α-olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9139","9147","10.1039/c3dt50163a","","","0.71073","MoKα","","0.0559","0.0331","","","0.0734","0.0808","","","","","","1.01","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021596","8.4408","0.0015","12.349","0.002","30.17","0.005","90","","90","","90","","3144.8","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H45 Cl2 N Si Zr -","- C31 H45 Cl2 N Si Zr -","- C124 H180 Cl8 N4 Si4 Zr4 -","4","1","","Chai, Jianfang; Abboud, Khalil A.; Miller, Stephen A.","Sterically expanded CGC catalysts: substituent effects on ethylene and α-olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9139","9147","10.1039/c3dt50163a","","","0.71073","MoKα","","0.0249","0.0224","","","0.0535","0.0547","","","","","","1.043","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021597","11.1665","0.0008","11.7337","0.0008","11.9069","0.0008","89.864","0.001","65.186","0.001","77.355","0.001","1374.64","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H43 N Si Zr -","- C29 H43 N Si Zr -","- C58 H86 N2 Si2 Zr2 -","2","1","","Chai, Jianfang; Abboud, Khalil A.; Miller, Stephen A.","Sterically expanded CGC catalysts: substituent effects on ethylene and α-olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9139","9147","10.1039/c3dt50163a","","","0.71073","MoKα","","0.0244","0.0231","","","0.0595","0.0604","","","","","","1.042","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021598","15.5695","0.0014","15.11","0.0013","18.8408","0.0019","90","","112.982","0.003","90","","4080.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H55 Cl2 N Si Zr -","- C45 H55 Cl2 N Si Zr -","- C180 H220 Cl8 N4 Si4 Zr4 -","4","1","","Chai, Jianfang; Abboud, Khalil A.; Miller, Stephen A.","Sterically expanded CGC catalysts: substituent effects on ethylene and α-olefin polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9139","9147","10.1039/c3dt50163a","","","0.71073","MoKα","","0.0524","0.034","","","0.0841","0.0897","","","","","","1.037","","","","has coordinates,has disorder","179920","2020-10-21","18:00:00",""
"7021599","9.3636","0.0009","10.7124","0.0013","9.6384","0.001","90","","104.864","0.007","90","","934.44","0.18","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 Cu2 N16 -","- C8 H24 Cu2 N16 -","- C16 H48 Cu4 N32 -","2","0.5","","Chakraborty, Anindita; Srinivasa Rao, Lingampalli; Manna, Arun Kumar; Pati, Swapan K.; Ribas, Joan; Maji, Tapas Kumar","Discrete dinuclear complex to extended 2D compound in a Cu-azido system by controlling coligand stoichiometry: synthesis and magneto-structural correlations.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10707","10714","10.1039/c3dt32526a","","","0.71073","MoKα","","0.1234","0.0513","","","0.087","0.1081","","","","","","0.989","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7021600","8.5602","0.0002","10.6248","0.0003","11.4803","0.0005","103.612","0.002","106.749","0.002","111.431","0.001","860.07","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H12 Cu3 N20 -","- C4 H12 Cu3 N20 -","- C8 H24 Cu6 N40 -","2","1","","Chakraborty, Anindita; Srinivasa Rao, Lingampalli; Manna, Arun Kumar; Pati, Swapan K.; Ribas, Joan; Maji, Tapas Kumar","Discrete dinuclear complex to extended 2D compound in a Cu-azido system by controlling coligand stoichiometry: synthesis and magneto-structural correlations.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10707","10714","10.1039/c3dt32526a","","","0.71073","MoKα","","0.0862","0.0624","","","0.183","0.209","","","","","","1.053","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021601","7.8882","0.0006","18.516","0.0014","19.4084","0.0016","90","","90","","90","","2834.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N2 Ni O2 -","- C29 H38 N2 Ni O2 -","- C116 H152 N8 Ni4 O8 -","4","1","","Barwiolek, M.; Szlyk, E.; Surdykowski, A.; Wojtczak, A.","New nickel(ii) and copper(ii) complexes with unsymmetrical Schiff bases derived from (1R,2R)(-)cyclohexanediamine and the application of Cu(ii) complexes for hybrid thin layers deposition.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11476","11487","10.1039/c3dt50213a","","","0.71073","MoKα","","0.2013","0.0488","","","0.0437","0.0575","","","","","","0.713","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7021602","6.495","0.002","14.431","0.005","8.949","0.003","90","","93.467","0.003","90","","837.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H12 N2 O0 S -","- C7 H12 N2 S -","- C28 H48 N8 S4 -","4","1","","Lu, Wenjuan; Barber, Patrick S.; Kelley, Steven P.; Rogers, Robin D.","Coordination and extraction of mercury(ii) with an ionic liquid-based thione extractant.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12908","12916","10.1039/c3dt50410g","","","0.71073","MoKα","","0.0442","0.0348","","","0.0913","0.0959","","","","","","1.358","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021603","9.258","0.005","9.365","0.005","14.749","0.009","90","","103.015","0.008","90","","1245.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cl4 Hg2 N4 S2 -","- C14 H24 Cl4 Hg2 N4 S2 -","- C28 H48 Cl8 Hg4 N8 S4 -","2","0.5","","Lu, Wenjuan; Barber, Patrick S.; Kelley, Steven P.; Rogers, Robin D.","Coordination and extraction of mercury(ii) with an ionic liquid-based thione extractant.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12908","12916","10.1039/c3dt50410g","","","0.71073","MoKα","","0.0666","0.0573","","","0.1463","0.153","","","","","","0.998","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021604","12.9363","0.0006","11.8914","0.0006","13.1361","0.0006","90","","92.657","0.002","90","","2018.56","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cl2 Hg N4 O0 S2 -","- C14 H24 Cl2 Hg N4 S2 -","- C56 H96 Cl8 Hg4 N16 S8 -","4","1","","Lu, Wenjuan; Barber, Patrick S.; Kelley, Steven P.; Rogers, Robin D.","Coordination and extraction of mercury(ii) with an ionic liquid-based thione extractant.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12908","12916","10.1039/c3dt50410g","","","0.71073","MoKα","","0.0342","0.0274","","","0.067","0.0704","","","","","","1.05","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021605","8.4298","0.0005","17.8332","0.001","11.8196","0.0007","90","","99.958","0.002","90","","1750.08","0.18","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 F12 Hg N6 O8 S6 -","- C18 H24 F12 Hg N6 O8 S6 -","- C36 H48 F24 Hg2 N12 O16 S12 -","2","0.5","","Lu, Wenjuan; Barber, Patrick S.; Kelley, Steven P.; Rogers, Robin D.","Coordination and extraction of mercury(ii) with an ionic liquid-based thione extractant.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12908","12916","10.1039/c3dt50410g","","","0.71073","MoKα","","0.0318","0.0212","","","0.0429","0.0465","","","","","","1.021","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021606","16.115","0.005","12.857","0.005","23.586","0.005","90","0.005","90","0.005","90","0.005","4887","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H27 N6 O10 V -","- C21 H22 N6 O10 V -","- C168 H176 N48 O80 V8 -","8","1","","Maurya, Mannar R.; Haldar, Chanchal; Kumar, Amit; Kuznetsov, Maxim L.; Avecilla, Fernando; Costa Pessoa, João","Vanadium complexes having [VO](2+), [VO](3+) and [VO2](+) cores with hydrazones of 2,6-diformyl-4-methylphenol: synthesis, characterization, reactivity, and catalytic potential.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11941","11962","10.1039/c3dt50469g","","","0.71073","MoKα","","0.0832","0.0517","","","0.138","0.1578","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021607","7.9044","0.0002","13.438","0.0004","14.3137","0.0004","64.434","0.002","86.071","0.002","84.93","0.002","1365.38","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H33 N4 O8 V -","- C27 H33 N4 O8 V -","- C54 H66 N8 O16 V2 -","2","1","","Maurya, Mannar R.; Haldar, Chanchal; Kumar, Amit; Kuznetsov, Maxim L.; Avecilla, Fernando; Costa Pessoa, João","Vanadium complexes having [VO](2+), [VO](3+) and [VO2](+) cores with hydrazones of 2,6-diformyl-4-methylphenol: synthesis, characterization, reactivity, and catalytic potential.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11941","11962","10.1039/c3dt50469g","","","0.71073","MoKα","","0.056","0.0381","","","0.101","0.125","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021608","16.409","0.002","16.409","0.002","18.059","0.003","90","","90","","90","","4862.5","1.2","123","2","123","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C64 H144 Cl N4 O38 V16 -","- C64 H144 Cl N4 O38 V16 -","- C128 H288 Cl2 N8 O76 V32 -","2","0.25","","Kato, Naohiro; Hayashi, Yoshihito","Discrete spherical hexadecavanadates incorporating a bromide with oxidative bromination activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11804","11811","10.1039/c3dt50521a","","","0.7107","MoKα","","0.1098","0.0997","","","0.2758","0.2934","","","","","","1.101","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021609","15.996","0.002","16.885","0.002","18.218","0.003","90","","90","","90","","4920.5","1.2","123","2","123","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C64 H144 Br N4 O38 V16 -","- C64 H144 Br N4 O38 V16 -","- C128 H288 Br2 N8 O76 V32 -","2","0.5","","Kato, Naohiro; Hayashi, Yoshihito","Discrete spherical hexadecavanadates incorporating a bromide with oxidative bromination activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11804","11811","10.1039/c3dt50521a","","","0.7107","MoKα","","0.0797","0.0699","","","0.1917","0.2063","","","","","","1.091","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021610","16.2235","0.0005","11.824","0.0003","18.6632","0.0005","90","","96.464","0.001","90","","3557.34","0.17","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N3 O3 V -","- C20 H18 N3 O3 V -","- C160 H144 N24 O24 V8 -","8","2","","Moriuchi, Toshiyuki; Ikeuchi, Kousuke; Hirao, Toshikazu","Synthesis of vanadium(v) hydrazido complexes with tris(2-hydroxyphenyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11824","11830","10.1039/c3dt50533b","","","0.71075","MoKα","","0.0673","0.0464","","","0.1072","0.1167","","","","","","1.052","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021611","9.3304","0.0011","18.403","0.002","12.1985","0.0014","90","","102.631","0.003","90","","2043.9","0.4","123","2","123","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H42 F2 N8 O6 V2 -","- C42 H42 F2 N8 O6 V2 -","- C84 H84 F4 N16 O12 V4 -","2","1","","Moriuchi, Toshiyuki; Ikeuchi, Kousuke; Hirao, Toshikazu","Synthesis of vanadium(v) hydrazido complexes with tris(2-hydroxyphenyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11824","11830","10.1039/c3dt50533b","","","0.71075","MoKα","","0.1353","0.0742","","","0.1511","0.1803","","","","","","0.97","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021612","20.72","0.0015","9.1557","0.0006","25.6467","0.0018","90","","99.487","0.002","90","","4798.8","0.6","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N3 O3 V -","- C30 H22 N3 O3 V -","- C240 H176 N24 O24 V8 -","8","2","","Moriuchi, Toshiyuki; Ikeuchi, Kousuke; Hirao, Toshikazu","Synthesis of vanadium(v) hydrazido complexes with tris(2-hydroxyphenyl)amine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11824","11830","10.1039/c3dt50533b","","","0.71075","MoKα","","0.1421","0.0662","","","0.1352","0.1766","","","","","","0.982","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021613","26.412","0.019","4.442","0.003","15.994","0.011","90","","113.034","0.012","90","","1727","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C64 H80 N16 O32 -","8","1","","Gonçalves, Gisela; Tomaz, Isabel; Correia, Isabel; Veiros, Luís F; Castro, M Margarida C A; Avecilla, Fernando; Palacio, Lorena; Maestro, Miguel; Kiss, Tamás; Jakusch, Tamás; Garcia, M Helena V; Pessoa, João Costa","A novel V(IV)O-pyrimidinone complex: synthesis, solution speciation and human serum protein binding.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11841","11861","10.1039/c3dt50553g","","","0.71073","MoKα","","0.111","0.0562","","","0.1439","0.1892","","","","","","0.937","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021614","10.6417","0.0019","8.0586","0.0015","18.579","0.003","90","","96.853","0.004","90","","1581.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Gonçalves, Gisela; Tomaz, Isabel; Correia, Isabel; Veiros, Luís F; Castro, M Margarida C A; Avecilla, Fernando; Palacio, Lorena; Maestro, Miguel; Kiss, Tamás; Jakusch, Tamás; Garcia, M Helena V; Pessoa, João Costa","A novel V(IV)O-pyrimidinone complex: synthesis, solution speciation and human serum protein binding.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11841","11861","10.1039/c3dt50553g","","","0.71073","MoKα","","0.1298","0.0564","","","0.163","0.2078","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021615","16.6","0.002","7.8212","0.0011","14.414","0.002","90","","105.112","0.002","90","","1806.7","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H11 N3 O3 -","- C8 H11 N3 O3 -","- C64 H88 N24 O24 -","8","1","","Gonçalves, Gisela; Tomaz, Isabel; Correia, Isabel; Veiros, Luís F; Castro, M Margarida C A; Avecilla, Fernando; Palacio, Lorena; Maestro, Miguel; Kiss, Tamás; Jakusch, Tamás; Garcia, M Helena V; Pessoa, João Costa","A novel V(IV)O-pyrimidinone complex: synthesis, solution speciation and human serum protein binding.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11841","11861","10.1039/c3dt50553g","","","0.71073","MoKα","","0.0472","0.0402","","","0.1056","0.111","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021616","10.4426","0.0002","18.5138","0.0004","25.2621","0.0005","75.624","0.001","87.474","0.001","87.744","0.001","4724.41","0.17","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H83 Ag3 Cl4 N3 P6 S3 -","- C94 H83 Ag3 Cl4 N3 P6 S3 -","- C188 H166 Ag6 Cl8 N6 P12 S6 -","2","1","","Rosa, Vitor; Fliedel, Christophe; Ghisolfi, Alessio; Pattacini, Roberto; Avilés, Teresa; Braunstein, Pierre","Influence of a thioether function in short-bite diphosphine ligands on the nature of their silver complexes: structure of a trinuclear complex and of a coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12109","12119","10.1039/c3dt50555c","","","0.71073","MoKα","","0.0876","0.0568","","","0.1446","0.1586","","","","","","1.022","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021617","14.0539","0.0004","15.7062","0.0005","17.3266","0.0004","85.636","0.002","66.492","0.002","81.586","0.002","3468.73","0.18","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C66 H75 Ag2 B2 F8 N5 O P4 S2 -","- C66 H75 Ag2 B2 F8 N5 O P4 S2 -","- C132 H150 Ag4 B4 F16 N10 O2 P8 S4 -","2","1","","Rosa, Vitor; Fliedel, Christophe; Ghisolfi, Alessio; Pattacini, Roberto; Avilés, Teresa; Braunstein, Pierre","Influence of a thioether function in short-bite diphosphine ligands on the nature of their silver complexes: structure of a trinuclear complex and of a coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12109","12119","10.1039/c3dt50555c","","","0.71073","MoKα","","0.0832","0.0486","","","0.123","0.1425","","","","","","1.068","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021618","24.3815","0.0005","12.3048","0.0005","22.7761","0.0007","90","","109.652","0.002","90","","6435","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H58 Ag2 B2 F8 N2 P4 -","- C56 H58 Ag2 B2 F8 N2 P4 -","- C224 H232 Ag8 B8 F32 N8 P16 -","4","0.5","","Rosa, Vitor; Fliedel, Christophe; Ghisolfi, Alessio; Pattacini, Roberto; Avilés, Teresa; Braunstein, Pierre","Influence of a thioether function in short-bite diphosphine ligands on the nature of their silver complexes: structure of a trinuclear complex and of a coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12109","12119","10.1039/c3dt50555c","","","0.71073","MoKα","","0.0961","0.0729","","","0.1996","0.2123","","","","","","1.074","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021619","22.4879","0.0006","13.4545","0.0004","23.2743","0.0006","90","","108.176","0.002","90","","6690.6","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C63 H56 Ag2 B2 Cl6 F8 N2 P4 -","- C63 H56 Ag2 B2 Cl6 F8 N2 P4 -","- C252 H224 Ag8 B8 Cl24 F32 N8 P16 -","4","0.5","","Rosa, Vitor; Fliedel, Christophe; Ghisolfi, Alessio; Pattacini, Roberto; Avilés, Teresa; Braunstein, Pierre","Influence of a thioether function in short-bite diphosphine ligands on the nature of their silver complexes: structure of a trinuclear complex and of a coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12109","12119","10.1039/c3dt50555c","","","0.71073","MoKα","","0.1034","0.0646","","","0.1644","0.1977","","","","","","1.071","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021620","8.8519","0.0005","9.8955","0.0006","10.3659","0.0006","78.91","0.003","68.375","0.003","65.88","0.003","769.45","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 N4 O10 V2 -","- C30 H36 N4 O10 V2 -","- C30 H36 N4 O10 V2 -","1","0.5","","Sutradhar, Manas; Shvydkiy, Nikita V.; Guedes da Silva, M Fátima C; Kirillova, Marina V.; Kozlov, Yuriy N.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.","A new binuclear oxovanadium(v) complex as a catalyst in combination with pyrazinecarboxylic acid (PCA) for efficient alkane oxygenation by H2O2.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11791","11803","10.1039/c3dt50584g","","","0.71069","MoKα","","0.041","0.0382","","","0.1024","0.1042","","","","","","1.062","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021621","8.7422","0.0002","8.7459","0.0002","32.5645","0.0007","90","","90","","90","","2489.83","0.1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl2 Cu N5 O3 -","- C23 H21 Cl2 Cu N5 O3 -","- C92 H84 Cl8 Cu4 N20 O12 -","4","1","","Neto, Brenno A. D.; Viana, Barbara F. L.; Rodrigues, Thyago S.; Lalli, Priscila M.; Eberlin, Marcos N.; da Silva, Wender A.; de Oliveira, Heibbe C. B.; Gatto, Claudia C.","Condensed, solution and gas phase behaviour of mono- and dinuclear 2,6-diacetylpyridine (dap) hydrazone copper complexes probed by X-ray, mass spectrometry and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11497","11506","10.1039/c3dt50594d","","","0.71073","MoKα","","0.064","0.0421","","","0.0859","0.0918","","","","","","1.038","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7021622","8.6632","0.0002","8.8145","0.0002","33.2879","0.0006","90","","90","","90","","2541.92","0.09","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Br2 Cu N5 O3 -","- C23 H21 Br2 Cu N5 O3 -","- C92 H84 Br8 Cu4 N20 O12 -","4","1","","Neto, Brenno A. D.; Viana, Barbara F. L.; Rodrigues, Thyago S.; Lalli, Priscila M.; Eberlin, Marcos N.; da Silva, Wender A.; de Oliveira, Heibbe C. B.; Gatto, Claudia C.","Condensed, solution and gas phase behaviour of mono- and dinuclear 2,6-diacetylpyridine (dap) hydrazone copper complexes probed by X-ray, mass spectrometry and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11497","11506","10.1039/c3dt50594d","","","0.71073","MoKα","","0.0487","0.0324","","","0.0659","0.0704","","","","","","1.021","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7021623","17.6856","0.0008","19.6466","0.0012","14.5514","0.0007","90","","90.342","0.003","90","","5056","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Cu2 N12 O6 -","- C52 H52 Cu2 N12 O6 -","- C208 H208 Cu8 N48 O24 -","4","1","","Neto, Brenno A. D.; Viana, Barbara F. L.; Rodrigues, Thyago S.; Lalli, Priscila M.; Eberlin, Marcos N.; da Silva, Wender A.; de Oliveira, Heibbe C. B.; Gatto, Claudia C.","Condensed, solution and gas phase behaviour of mono- and dinuclear 2,6-diacetylpyridine (dap) hydrazone copper complexes probed by X-ray, mass spectrometry and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11497","11506","10.1039/c3dt50594d","","","0.71073","MoKα","","0.0919","0.0477","","","0.1118","0.1319","","","","","","1.008","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7021624","20.987","0.0004","18.809","0.0003","15.3539","0.0003","90","","113.536","0.001","90","","5556.66","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cu N8 O3 -","- C26 H28 Cu N8 O3 -","- C208 H224 Cu8 N64 O24 -","8","1","","Neto, Brenno A. D.; Viana, Barbara F. L.; Rodrigues, Thyago S.; Lalli, Priscila M.; Eberlin, Marcos N.; da Silva, Wender A.; de Oliveira, Heibbe C. B.; Gatto, Claudia C.","Condensed, solution and gas phase behaviour of mono- and dinuclear 2,6-diacetylpyridine (dap) hydrazone copper complexes probed by X-ray, mass spectrometry and theoretical calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11497","11506","10.1039/c3dt50594d","","","0.71073","MoKα","","0.0788","0.0609","","","0.1587","0.1714","","","","","","1.06","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7021625","13.981","0.0008","12.1462","0.0005","21.467","0.001","90","","92.46","0.005","90","","3642.1","0.3","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 Ce2 F15 N3 O15 -","- C21 H24 Ce2 F15 N3 O15 -","- C84 H96 Ce8 F60 N12 O60 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Bulin, Anne-Laure; Ledoux, Gilles; Jouguet, Bernadette; Amans, David; Belsky, Andrei; Daniele, Stéphane; Dujardin, Christophe","A molecular precursor approach to monodisperse scintillating CeF3 nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2013","42","35","12633","12643","10.1039/c3dt50605c","","","0.7107","MoKα","","0.0659","0.0499","","0.0983","0.0855","0.0983","","","","","","0.975","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021626","8.9797","0.0006","12.0517","0.0007","19.009","0.001","90","","95.306","0.006","90","","2048.4","0.2","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Ce F9 N2 O8 -","- C12 H14 Ce F9 N2 O8 -","- C48 H56 Ce4 F36 N8 O32 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Bulin, Anne-Laure; Ledoux, Gilles; Jouguet, Bernadette; Amans, David; Belsky, Andrei; Daniele, Stéphane; Dujardin, Christophe","A molecular precursor approach to monodisperse scintillating CeF3 nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2013","42","35","12633","12643","10.1039/c3dt50605c","","","0.7107","MoKα","","0.0443","0.0406","","0.1074","0.1003","0.1074","","","","","","0.9581","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021627","16.085","0.002","11.92","0.002","10.473","0.001","90","","90","","90","","2008","0.5","120","","120","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C10 H12 Ce F9 O8 S2 -","- C10 H12 Ce F9 O8 S2 -","- C40 H48 Ce4 F36 O32 S8 -","4","1","","Mishra, Shashank; Jeanneau, Erwann; Bulin, Anne-Laure; Ledoux, Gilles; Jouguet, Bernadette; Amans, David; Belsky, Andrei; Daniele, Stéphane; Dujardin, Christophe","A molecular precursor approach to monodisperse scintillating CeF3 nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2013","42","35","12633","12643","10.1039/c3dt50605c","","","0.7107","MoKα","","0.0682","0.0605","","0.1735","0.1427","0.1735","","","","","","0.9038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021628","21.294","0.002","12.0211","0.0009","19.413","0.001","90","","108.759","0.007","90","","4705.3","0.6","110","","110","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H36 Ce2 F18 O18 S6 -","- C24 H36 Ce2 F18 O18 S6 -","- C96 H144 Ce8 F72 O72 S24 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Bulin, Anne-Laure; Ledoux, Gilles; Jouguet, Bernadette; Amans, David; Belsky, Andrei; Daniele, Stéphane; Dujardin, Christophe","A molecular precursor approach to monodisperse scintillating CeF3 nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2013","42","35","12633","12643","10.1039/c3dt50605c","","","0.7107","MoKα","","0.0576","0.0507","","0.1385","0.1308","0.1385","","","","","","1.0092","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021629","21.433","0.002","12.1357","0.0008","19.228","0.001","90","","105.845","0.008","90","","4811.3","0.6","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H38 Ce2 F18 N2 O18 S4 -","- C26 H38 Ce2 F18 N2 O18 S4 -","- C104 H152 Ce8 F72 N8 O72 S16 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Bulin, Anne-Laure; Ledoux, Gilles; Jouguet, Bernadette; Amans, David; Belsky, Andrei; Daniele, Stéphane; Dujardin, Christophe","A molecular precursor approach to monodisperse scintillating CeF3 nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2013","42","35","12633","12643","10.1039/c3dt50605c","","","0.7107","MoKα","","0.0708","0.059","","0.1699","0.1378","0.1699","","","","","","0.988","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021630","9.285","0.002","15.856","0.006","13.478","0.002","90","","90","","90","","1984.3","0.9","110","","110","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H16 Ce F9 O10 -","- C12 H16 Ce F9 O10 -","- C48 H64 Ce4 F36 O40 -","4","0.5","","Mishra, Shashank; Jeanneau, Erwann; Bulin, Anne-Laure; Ledoux, Gilles; Jouguet, Bernadette; Amans, David; Belsky, Andrei; Daniele, Stéphane; Dujardin, Christophe","A molecular precursor approach to monodisperse scintillating CeF3 nanocrystals.","Dalton transactions (Cambridge, England : 2003)","2013","42","35","12633","12643","10.1039/c3dt50605c","","","0.7107","MoKα","","0.0922","0.0637","","0.1736","0.1418","0.1736","","","","","","1.0039","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021631","6.4465","0.0005","11.4952","0.0007","12.5252","0.0008","90","","96.512","0.006","90","","922.18","0.11","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O8 V2 -","- C16 H22 N2 O8 V2 -","- C32 H44 N4 O16 V4 -","2","0.5","","Drouza, Chryssoula; Vlasiou, Manos; Keramidas, Anastasios D.","Vanadium(iv/v)-p-dioxolene temperature induced electron transfer associated with ligation/deligation of solvent molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11831","11840","10.1039/c3dt50619c","","","1.54184","CuKα","","0.0564","0.0557","","","0.1494","0.1502","","","","","","1.034","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021632","13.3994","0.0008","6.708","0.0003","14.585","0.0008","90","","110.353","0.007","90","","1229.1","0.13","100","1","100","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C20 H34 N2 O10 S2 V2 -","- C20 H34 N2 O10 S2 V2 -","- C40 H68 N4 O20 S4 V4 -","2","0.5","","Drouza, Chryssoula; Vlasiou, Manos; Keramidas, Anastasios D.","Vanadium(iv/v)-p-dioxolene temperature induced electron transfer associated with ligation/deligation of solvent molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11831","11840","10.1039/c3dt50619c","","","1.5418","CuKα","","0.0414","0.0379","","","0.1042","0.1082","","","","","","1.064","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021633","6.882","","10.977","","14.849","","102.79","","103.34","","90.03","","1062.82","","150","0.3","150","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N2 O10 V2 -","- C18 H30 N2 O10 V2 -","- C36 H60 N4 O20 V4 -","2","1","","Drouza, Chryssoula; Vlasiou, Manos; Keramidas, Anastasios D.","Vanadium(iv/v)-p-dioxolene temperature induced electron transfer associated with ligation/deligation of solvent molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11831","11840","10.1039/c3dt50619c","","","1.5418","CuKα","","0.1326","0.0845","","","0.2144","0.2453","","","","","","1.03","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021634","30.106","0.003","9.3586","0.0008","23.564","0.002","90","","128.22","0.002","90","","5216","0.8","113","","113","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C43 H49.5 O22.75 Pt4 -","- C43 H50.25 O22.75 Pt4 -","- C172 H201 O91 Pt16 -","4","1","","Tanaka, Shinji; Nagata, Naoto; Tagawa, Naoki; Hirata, Hirohito; Matsumoto, Shin-Ichi; Tsurugi, Hayato; Mashima, Kazushi","Tetraplatinum cluster complexes bearing hydrophilic anchors as precursors for γ-Al2O3-supported platinum nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2013","42","35","12662","12666","10.1039/c3dt50670c","","","0.71075","MoKα","","","0.039","","","","0.1041","","","","","","1.155","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021635","4.6681","0.0002","11.6004","0.0007","13.7298","0.0008","99.221","0.005","93.928","0.004","96.67","0.004","726.04","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Br2 N4 O4 -","- C30 H32 Br2 N4 O4 -","- C30 H32 Br2 N4 O4 -","1","0.5","","Suresh, Paladugu; Radhakrishnan, Soumya; Naga Babu, Chatla; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan","Luminescent imidazolium carboxylate supported aggregate and infinite coordination networks of copper and zinc.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10838","10846","10.1039/c3dt50675d","","","1.54184","CuKα","","0.0569","0.0546","","","0.1554","0.1576","","","","","","1.09","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021636","11.5604","0.0007","12.3073","0.0008","13.3623","0.0008","78.556","0.005","80.59","0.005","67.806","0.006","1717.1","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Cu N7 O9 -","- C32 H36 Cu N7 O9 -","- C64 H72 Cu2 N14 O18 -","2","1","","Suresh, Paladugu; Radhakrishnan, Soumya; Naga Babu, Chatla; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan","Luminescent imidazolium carboxylate supported aggregate and infinite coordination networks of copper and zinc.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10838","10846","10.1039/c3dt50675d","","","1.54184","CuKα","","0.0628","0.0553","","","0.1601","0.1658","","","","","","1.046","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021637","4.5328","0.0005","11.3109","0.0012","13.2988","0.0014","77.56","0.009","82.903","0.009","84.026","0.009","658.61","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Br0.5 Cu N4 O6 -","- C26 H26 Br0.5 Cu N4 O6 -","- C26 H26 Br0.5 Cu N4 O6 -","1","0.5","","Suresh, Paladugu; Radhakrishnan, Soumya; Naga Babu, Chatla; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan","Luminescent imidazolium carboxylate supported aggregate and infinite coordination networks of copper and zinc.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10838","10846","10.1039/c3dt50675d","","","1.54184","CuKα","","0.0794","0.0693","","","0.2095","0.2201","","","","","","1.057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021638","4.5284","0.0004","11.4135","0.0009","13.2801","0.0011","78.119","0.007","83.978","0.007","84.959","0.007","666.42","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br0.5 N2 O3 Zn0.5 -","- C13 H13 Br0.5 N2 O3 Zn0.5 -","- C26 H26 Br N4 O6 Zn -","2","1","","Suresh, Paladugu; Radhakrishnan, Soumya; Naga Babu, Chatla; Sathyanarayana, Arruri; Sampath, Natarajan; Prabusankar, Ganesan","Luminescent imidazolium carboxylate supported aggregate and infinite coordination networks of copper and zinc.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10838","10846","10.1039/c3dt50675d","","","1.54184","CuKα","","0.0761","0.0671","","","0.1991","0.2115","","","","","","1.117","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021639","17.4421","0.0008","17.4421","0.0008","17.738","0.003","90","","90","","90","","5396.4","1","295","2","295","2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","tetrakis(μ-2-di-t-butylphosphido)-dicyano-tetracarbonyl-hexa-platinum(i)","","- C38 H72 N2 O4 P4 Pt6 -","- C38 H72 N2 O4 P4 Pt6 -","- C152 H288 N8 O16 P16 Pt24 -","4","0.125","","Anselmi, Martina; Bonuccelli, Veronica; Funaioli, Tiziana; Leoni, Piero; Marchetti, Fabio; Marchetti, Lorella; Mohapatra, Swagat Kumar; Pasquali, Marco","Synthesis and electrochemical characterization of hexanuclear platinum bis-pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10855","10866","10.1039/c3dt50714a","","","0.71073","MoKα","","0.073","0.045","","","0.1143","0.1246","","","","","","1.073","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021640","17.091","0.002","17.091","0.002","17.632","0.004","90","","90","","90","","5150.3","1.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H72 N2 O4 P4 Pt6 S2 -","- C38 H72 N2 O4 P4 Pt6 S2 -","- C152 H288 N8 O16 P16 Pt24 S8 -","4","1","","Anselmi, Martina; Bonuccelli, Veronica; Funaioli, Tiziana; Leoni, Piero; Marchetti, Fabio; Marchetti, Lorella; Mohapatra, Swagat Kumar; Pasquali, Marco","Synthesis and electrochemical characterization of hexanuclear platinum bis-pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10855","10866","10.1039/c3dt50714a","","","0.70087","synchrotronradiation","","0.0408","0.0399","","","0.1181","0.1194","","","","","","1.064","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021641","17.2432","0.0005","17.2432","0.0005","17.7825","0.0005","90","","90","","90","","5287.2","0.3","296","2","296","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C38 H72 N2 O6 P4 Pt6 -","- C38 H72 N2 O6 P4 Pt6 -","- C152 H288 N8 O24 P16 Pt24 -","4","0.25","","Anselmi, Martina; Bonuccelli, Veronica; Funaioli, Tiziana; Leoni, Piero; Marchetti, Fabio; Marchetti, Lorella; Mohapatra, Swagat Kumar; Pasquali, Marco","Synthesis and electrochemical characterization of hexanuclear platinum bis-pseudohalides.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10855","10866","10.1039/c3dt50714a","","","0.71073","MoKα","","0.0517","0.0369","","","0.0801","0.0885","","","","","","1.04","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021642","9.1029","0.0009","11.0362","0.0007","12.7712","0.0008","101.182","0.005","107.3","0.005","97.188","0.005","1178.61","0.17","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 N4 O2 Rh -","- C25 H23 N4 O2 Rh -","- C50 H46 N8 O4 Rh2 -","2","1","","Zhu, Di; Budzelaar, Peter H. M.","N-Aryl β-diiminate complexes of the platinum metals.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11343","11354","10.1039/c3dt50715g","","","0.71073","MoKα","","0.0674","0.0451","","0.0812","0.0757","0.0812","","","1.058","","","1.058","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021643","11.4591","0.0006","14.4822","0.0008","16.3759","0.0009","90","","100.278","0.004","90","","2674","0.3","208","2","208","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 N4 Rh -","- C31 H35 N4 Rh -","- C124 H140 N16 Rh4 -","4","1","","Zhu, Di; Budzelaar, Peter H. M.","N-Aryl β-diiminate complexes of the platinum metals.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11343","11354","10.1039/c3dt50715g","","","0.71073","MoKα","","0.0359","0.027","","0.0673","0.062","0.0673","","","1.05","","","1.05","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021644","12.8493","0.0011","11.4303","0.0006","15.1654","0.0011","90","","114.211","0.005","90","","2031.4","0.3","248","2","248","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H19 N4 O2 Rh -","- C23 H19 N4 O2 Rh -","- C92 H76 N16 O8 Rh4 -","4","1","","Zhu, Di; Budzelaar, Peter H. M.","N-Aryl β-diiminate complexes of the platinum metals.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11343","11354","10.1039/c3dt50715g","","","0.71073","MoKα","","0.0288","0.0206","","0.0474","0.0437","0.0474","","","1.108","","","1.108","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021645","9.2208","0.0018","16.675","0.003","15.634","0.003","90","","105.27","0.03","90","","2319","0.8","119","2","119","2","","","","","","","","6","P 1 21 1","P 2yb","4","tris(trimethylphosphine)-(3,5-bis(trifluoromethyl) pyrazolate)cobalt(i)","tris(trimethylphosphine)-(3,5-bis(trifluoromethyl) pyrazolate)cobalt(i)","","- C14 H28 Co F6 N2 P3 -","- C14 H28 Co F6 N2 P3 -","- C56 H112 Co4 F24 N8 P12 -","4","2","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of Co bis-trifluoromethylpyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12898","12907","10.1039/c3dt50758k","","","0.71073","MoKα","","0.0921","0.0562","","","0.104","0.1155","","","","","","1.095","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021646","9.3916","0.0008","15.6362","0.0012","19.3585","0.0016","90","","90","","90","","2842.8","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","tris(trimethylphosphine)-mer-bis(3,5-bis (trifluoromethyl)pyrzolate)cobalt(ii)","tris(trimethylphosphine)-mer-bis(3,5-bis (trifluoromethyl)pyrzolate)cobalt(ii)","","- C19 H29 Co F12 N4 P3 -","- C19 H29 Co F12 N4 P3 -","- C76 H116 Co4 F48 N16 P12 -","4","1","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of Co bis-trifluoromethylpyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12898","12907","10.1039/c3dt50758k","","","0.71073","MoKα","","0.0469","0.0388","","","0.0781","0.081","","","","","","1.058","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021647","10.0753","0.0002","68.7275","0.0012","13.723","0.0009","90","","90.308","0.006","90","","9502.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(dihydrido-tetrakis(trimethylphosphine)-cobalt(iii))(tris-bis- 3,5-(trifluorometh","[dihydrido-tetrakis(trimethylphosphine)-cobalt(iii)][tris-bis-3,5-(trifluoromethyl)pyrazolate-trimethylphosphine-cobalt(ii)]","","- C30 H50 Co2 F18 N6 P5 -","- C30 H50 Co2 F18 N6 P5 -","- C240 H400 Co16 F144 N48 P40 -","8","2","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of Co bis-trifluoromethylpyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12898","12907","10.1039/c3dt50758k","","","1.54187","CuKα","","0.1697","0.1018","","","0.129","0.1443","","","","","","1.294","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021648","14.371","0.003","12.277","0.003","24.941","0.008","90","","115.58","0.02","90","","3969.1","1.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","lithium-bis(trimethylphosphineoxid-mu-trimethylphosphineoxide- mu-3,5-bis(trifluoromethyl)pyrazolate-bis(3,5- bis(trifluoromethyl)pyrazolate)cobalt(ii)","lithium-bis(trimethylphosphineoxid-μ-trimethylphosphineoxide- μ-3,5-bis(trifluoromethyl)pyrazolate- bis(3,5-bis(trifluoromethyl)pyrazolate)cobalt(ii)","","- C24 H30 Co F18 Li N6 O3 P3 -","- C24 H30 Co F18 Li N6 O3 P3 -","- C96 H120 Co4 F72 Li4 N24 O12 P12 -","4","1","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of Co bis-trifluoromethylpyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12898","12907","10.1039/c3dt50758k","","","0.71073","MoKα","","0.0783","0.0678","","","0.1516","0.1584","","","","","","1.202","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021649","9.313","0.002","11.028","0.005","11.569","0.005","102.591","0.005","90.458","0.007","112.259","0.017","1067.8","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H24 Co2 F24 Li2 N8 O2 P2 -","- C26 H24 Co2 F24 Li2 N8 O2 P2 -","- C26 H24 Co2 F24 Li2 N8 O2 P2 -","1","0.5","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of Co bis-trifluoromethylpyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12898","12907","10.1039/c3dt50758k","","","0.71069","MoKα","","0.0749","0.0626","","","0.1632","0.1718","","","","","","1.099","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021650","10.1321","0.0013","10.2434","0.0013","13.9848","0.0017","99.582","0.003","104.265","0.004","101.473","0.004","1342.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","bis(trimethylphosphine-oxide)-bis(3,5- bis(trifluoromethyl)pyrazolate)cobalt(ii)","bis(trimethylphosphine-oxide)-bis(3,5-bis(trifluoromethyl)pyrazolate)cobalt(ii)","","- C16 H20 Co F12 N4 O2 P2 -","- C16 H20 Co F12 N4 O2 P2 -","- C32 H40 Co2 F24 N8 O4 P4 -","2","1","","Rivers, Joseph H.; Jones, Richard A.","Synthesis and structures of Co bis-trifluoromethylpyrazolate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12898","12907","10.1039/c3dt50758k","","","0.71073","MoKα","","0.1158","0.0852","","","0.2012","0.2183","","","","","","1.271","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021651","17.75","0.003","17.75","0.003","19.192","0.004","90","","90","","120","","5236.6","1.7","100","2","100","2","","","100","","","","","5","P 3 2 1","P 3 2""","150","CFA-1","","","- C44 H30 N18 O8 Zn5 -","- C44 H29.97 N18 O7.98 Zn5 -","- C88 H59.94 N36 O15.96 Zn10 -","2","0.333333","","Schmieder, Phillip; Denysenko, Dmytro; Grzywa, Maciej; Baumgärtner, Benjamin; Senkovska, Irena; Kaskel, Stefan; Sastre, German; van Wüllen, Leo; Volkmer, Dirk","CFA-1: the first chiral metal-organic framework containing Kuratowski-type secondary building units.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10786","10797","10.1039/c3dt50787d","","x-ray","0.88561","synchrotron","","0.0494","0.045","","","0.1111","0.1131","","","","","","1.044","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021652","17.7771","0.0007","17.7771","0.0007","19.1129","0.0016","90","","90","","120","","5230.9","0.5","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","Co-CFA1","","","- C44 H30 Co1.34 N18 O8 Zn3.66 -","- C44 H29.97 Co1.35 N18 O7.98 Zn3.65 -","- C88 H59.94 Co2.7 N36 O15.96 Zn7.3 -","2","0.333333","","Schmieder, Phillip; Denysenko, Dmytro; Grzywa, Maciej; Baumgärtner, Benjamin; Senkovska, Irena; Kaskel, Stefan; Sastre, German; van Wüllen, Leo; Volkmer, Dirk","CFA-1: the first chiral metal-organic framework containing Kuratowski-type secondary building units.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10786","10797","10.1039/c3dt50787d","powder diffraction","","1.54051","CuKα","","0.0653","0.0626","","0.0642","0.0637","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021653","10.633","0.0003","11.8889","0.0003","17.0844","0.0007","90","","90","","90","","2159.72","0.12","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H40 B Br P2 -","- C16 H40 B Br P2 -","- C64 H160 B4 Br4 P8 -","4","1","","Shuttleworth, Timothy A.; Huertos, Miguel A.; Pernik, Indrek; Young, Rowan D.; Weller, Andrew S.","Bis(phosphine)boronium salts. Synthesis, structures and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12917","12925","10.1039/c3dt50817j","","","0.71073","MoKα","","0.103","0.0489","","","0.0762","0.0894","","","","","","0.993","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021654","8.8474","0.0001","11.1909","0.0002","25.1074","0.0004","90","","92.659","0.001","90","","2483.22","0.07","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H40 B F3 O3 P2 S -","- C17 H40 B F3 O3 P2 S -","- C68 H160 B4 F12 O12 P8 S4 -","4","1","","Shuttleworth, Timothy A.; Huertos, Miguel A.; Pernik, Indrek; Young, Rowan D.; Weller, Andrew S.","Bis(phosphine)boronium salts. Synthesis, structures and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12917","12925","10.1039/c3dt50817j","","","0.71073","MoKα","","0.0722","0.0438","","","0.1006","0.1176","","","","","","0.881","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021655","15.974","0.0001","18.196","0.0001","20.965","0.0002","90","","111.804","0.0003","90","","5657.8","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H58 B2 F24 P2 -","- C50.5 H58 B2 F24 P2 -","- C202 H232 B8 F96 P8 -","4","1","","Shuttleworth, Timothy A.; Huertos, Miguel A.; Pernik, Indrek; Young, Rowan D.; Weller, Andrew S.","Bis(phosphine)boronium salts. Synthesis, structures and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12917","12925","10.1039/c3dt50817j","","","0.71073","MoKα","","0.0781","0.0561","","","0.1348","0.1502","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021656","12.9019","0.0003","17.27","0.0004","21.5728","0.0005","99.512","0.002","91.448","0.002","99.925","0.002","4662.57","0.19","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C99 H71 B2 Cl2 F24 P4 Rh -","- C99 H71 B2 Cl2 F24 P4 Rh -","- C198 H142 B4 Cl4 F48 P8 Rh2 -","2","1","","Shuttleworth, Timothy A.; Huertos, Miguel A.; Pernik, Indrek; Young, Rowan D.; Weller, Andrew S.","Bis(phosphine)boronium salts. Synthesis, structures and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12917","12925","10.1039/c3dt50817j","","","1.54184","CuKα","","0.076","0.068","","","0.1771","0.1848","","","","","","1.028","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021657","16.3321","0.0001","25.1406","0.0002","18.8993","0.0002","90","","94.56","","90","","7735.47","0.11","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C74 H81 B F24 P3 Rh -","- C74 H81 B F24 P3 Rh -","- C296 H324 B4 F96 P12 Rh4 -","4","1","","Shuttleworth, Timothy A.; Huertos, Miguel A.; Pernik, Indrek; Young, Rowan D.; Weller, Andrew S.","Bis(phosphine)boronium salts. Synthesis, structures and coordination chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12917","12925","10.1039/c3dt50817j","","","0.71073","MoKα","","0.086","0.0484","","","0.1124","0.1278","","","","","","1.081","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021658","19.722","0.005","19.722","0.005","19.722","0.005","90","","90","0.006","90","","7671","3","296","2","296","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C24 H12 In3 O16 -","- C24 H12 In3 O16 -","- C192 H96 In24 O128 -","8","0.333333","","Ji, Wenbin; Hu, Hailiang; Zhang, Weisong; Huang, Hui; He, Xiaodie; Han, Xiao; Zhao, Fangfang; Liu, Yang; Kang, Zhenhui","Indium(iii)-dicarboxylic microporous frameworks with high adsorption selectivity for CO2 over N2.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10690","10693","10.1039/c3dt50822f","","","0.71073","MoKα","","0.1341","0.0666","","","0.143","0.1744","","","","","","0.943","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021659","14.682","0.006","14.682","0.006","12.178","0.007","90","","90","","120","","2273.4","1.9","120","","120","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 H8 In O8 -","- C16 H8 In O8 -","- C48 H24 In3 O24 -","3","0.25","","Ji, Wenbin; Hu, Hailiang; Zhang, Weisong; Huang, Hui; He, Xiaodie; Han, Xiao; Zhao, Fangfang; Liu, Yang; Kang, Zhenhui","Indium(iii)-dicarboxylic microporous frameworks with high adsorption selectivity for CO2 over N2.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10690","10693","10.1039/c3dt50822f","","","0.71073","MoKα","","0.0539","0.0416","","","0.127","0.1325","","","","","","0.901","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021660","14.8944","0.0009","9.4708","0.0006","22.5306","0.0014","90","","102.325","0.001","90","","3105","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cl3 N3 Ni P2 Ru -","- C30 H36 Cl3 N3 Ni P2 Ru -","- C120 H144 Cl12 N12 Ni4 P8 Ru4 -","4","1","","Serrano-Ruiz, Manuel; Aguilera-Sáez, Luis Manuel; Lorenzo-Luis, Pablo; Padrón, José M; Romerosa, Antonio","Synthesis and antiproliferative activity of the heterobimetallic complexes [RuClCp(PPh3)-μ-dmoPTA-1κP:2κ(2)N,N'-MCl2] (M = Co, Ni, Zn; dmoPTA = 3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11212","11219","10.1039/c3dt50829c","","","0.71073","MoKα","","0.0335","0.0284","","","0.0685","0.0704","","","","","","0.978","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021661","14.847","0.004","9.499","0.002","22.587","0.006","90","","102.151","0.006","90","","3114.1","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Cl3 N3 P2 Ru Zn -","- C30 H36 Cl3 N3 P2 Ru Zn -","- C120 H144 Cl12 N12 P8 Ru4 Zn4 -","4","1","","Serrano-Ruiz, Manuel; Aguilera-Sáez, Luis Manuel; Lorenzo-Luis, Pablo; Padrón, José M; Romerosa, Antonio","Synthesis and antiproliferative activity of the heterobimetallic complexes [RuClCp(PPh3)-μ-dmoPTA-1κP:2κ(2)N,N'-MCl2] (M = Co, Ni, Zn; dmoPTA = 3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11212","11219","10.1039/c3dt50829c","","","0.71073","MoKα","","0.0833","0.0558","","","0.1055","0.115","","","","","","1.022","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021662","8.6759","0.0001","18.4936","0.0004","10.1458","0.0002","90","","109.043","0.003","90","","1538.79","0.06","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 N6 Ti2 -","- C28 H54 N6 Ti2 -","- C56 H108 N12 Ti4 -","2","0.5","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0523","0.0353","","","0.0812","0.0867","","","","","","1.022","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021663","8.6878","0.001","12.6566","0.001","13.9992","0.0016","90","","97.749","0.013","90","","1525.3","0.3","190","2","190","2","","","","","","","synthesis as described","4","I 1 2/m 1","-I 2y","12","","","","- C28 H54 N6 V2 -","- C28 H54 N6 V2 -","- C56 H108 N12 V4 -","2","0.25","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0458","0.0441","","","0.1134","0.1149","","","","","","1.052","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021664","12.8129","0.0018","15.846","0.003","11.4001","0.0017","90","","108.955","0.016","90","","2189.1","0.6","180","","180","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H54 N6 Si2 Ti2 -","- C44 H54 N6 Si2 Ti2 -","- C88 H108 N12 Si4 Ti4 -","2","0.5","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.2369","0.0674","","","0.0964","0.1539","","","","","","0.777","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021665","11.3357","0.0004","13.432","0.0005","19.7408","0.0009","92.607","0.004","104.677","0.004","106.071","0.003","2772.3","0.2","180","","180","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C60 H64 N6 Si3 Ti2 -","- C60 H64 N6 Si3 Ti2 -","- C120 H128 N12 Si6 Ti4 -","2","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0578","0.0446","","","0.1218","0.1296","","","","","","1.128","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021666","10.501","0.002","27.443","0.005","13.322","0.003","90","","90.77","0.03","90","","3838.8","1.3","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H51 N9 Ti3 -","- C34 H51 N9 Ti3 -","- C136 H204 N36 Ti12 -","4","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0403","0.033","","","0.0862","0.0906","","","","","","1.044","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021667","23.961","0.005","32.093","0.006","8.9451","0.0018","90","","90","","90","","6879","2","180","2","180","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","","","","- C14 H14 Cl4 N3 V -","- C14 H14 Cl4 N3 V -","- C224 H224 Cl64 N48 V16 -","16","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0549","0.0347","","","0.0789","0.0833","","","","","","0.884","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021668","9.7228","0.0003","10.4433","0.0003","18.5184","0.0005","77.236","0.002","75.656","0.002","79.334","0.002","1759.7","0.09","180","2","180","","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C32 H58 N6 Ti2 -","- C32 H58 N6 Ti2 -","- C64 H116 N12 Ti4 -","2","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0571","0.0368","","","0.0918","0.1032","","","","","","1.036","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021669","11.1946","0.0007","20.0122","0.0012","38.54","0.002","90","","90","","90","","8634.1","0.9","180","2","180","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C42 H70 N6 Ti2 -","- C42 H70 N6 Ti2 -","- C336 H560 N48 Ti16 -","8","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0654","0.037","","","0.0861","0.0994","","","","","","1.029","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021670","17.0404","0.0007","16.0775","0.0006","23.1921","0.0009","90","","90","","90","","6353.9","0.4","180","","180","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C24 H53 N7 Ti2 -","- C24 H53 N7 Ti2 -","- C192 H424 N56 Ti16 -","8","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0726","0.0402","","","0.0908","0.1052","","","","","","1.031","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021671","11.5158","0.0004","22.9429","0.0008","19.6453","0.0007","90","","98.712","0.002","90","","5130.5","0.3","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H82 N6 Ti2 -","- C52 H82 N6 Ti2 -","- C208 H328 N24 Ti8 -","4","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0792","0.0479","","","0.11","0.1263","","","","","","1.016","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021672","11.121","0.0008","24.367","0.0009","11.171","0.0007","90","","119.258","0.009","90","","2641","0.4","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C54 H82 N6 Ti2 -","- C54 H82 N6 Ti2 -","- C108 H164 N12 Ti4 -","2","0.5","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0992","0.084","","","0.2023","0.2081","","","","","","1.172","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021673","19.1831","0.0006","13.111","0.0004","18.5082","0.0006","90","","91.513","0.003","90","","4653.4","0.3","180","2","180","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H76 N4 Ti -","- C48 H76 N4 Ti -","- C192 H304 N16 Ti4 -","4","0.5","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","x-ray","0.71073","MoKα","","0.0874","0.0497","","","0.117","0.1243","","","","","","0.917","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021674","12.6101","0.0006","22.68","0.0014","21.3541","0.001","90","","99.489","0.005","90","","6023.6","0.6","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H73 N7 Ti2 -","- C50 H73 N7 Ti2 -","- C200 H292 N28 Ti8 -","4","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","x-ray","0.71073","MoKα","","0.1516","0.0742","","","0.1545","0.1816","","","","","","0.918","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021675","14.4789","0.001","15.7622","0.001","18.874","0.001","90","","110.076","0.002","90","","4045.7","0.4","180","2","180","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C43 H59 N5 Ti -","- C43 H59 N5 Ti -","- C172 H236 N20 Ti4 -","4","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0601","0.0407","","","0.0836","0.0907","","","","","","1.016","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021676","9.6975","0.0005","12.1115","0.0006","22.0445","0.001","80.776","0.002","79.744","0.002","73.268","0.002","2423.5","0.2","180","2","180","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C46 H63 N5 Ti -","- C46 H63 N5 Ti -","- C92 H126 N10 Ti2 -","2","1","","Lorber, Christian; Vendier, Laure","Novel aspects of the transamination reaction between Ti(NMe2)4 and primary amines.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12203","12219","10.1039/c3dt50840d","","","0.71073","MoKα","","0.0661","0.0591","","","0.1662","0.1721","","","","","","1.082","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021677","9.4937","0.0019","12.292","0.003","14.967","0.003","90","","98.08","0.03","90","","1729.3","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 As Eu N6 S4 -","- C6 H24 As Eu N6 S4 -","- C24 H96 As4 Eu4 N24 S16 -","4","1","","Zhou, Jian; Liu, Xing; Li, Rong; An, Litao; Hu, Feilong; Chen, Rong; Wei, Yuanchun","The syntheses, structures and properties of three new lanthanoid thioarsenates: the only example of thioarsenate acting as a ligand to a lanthanide complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11155","11162","10.1039/c3dt50858g","","","0.71073","MoKα","","0.0411","0.0378","","","0.0986","0.1013","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021678","9.6537","0.0019","13.118","0.003","14.603","0.003","90","","97.53","0.03","90","","1833.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 As Er N6 S4 -","- C8 H26 As Er N6 S4 -","- C32 H104 As4 Er4 N24 S16 -","4","1","","Zhou, Jian; Liu, Xing; Li, Rong; An, Litao; Hu, Feilong; Chen, Rong; Wei, Yuanchun","The syntheses, structures and properties of three new lanthanoid thioarsenates: the only example of thioarsenate acting as a ligand to a lanthanide complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11155","11162","10.1039/c3dt50858g","","","0.71073","MoKα","","0.037","0.0249","","","0.0518","0.0544","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021679","20.323","0.004","15.59","0.003","14.257","0.003","90","","131.55","0.03","90","","3381","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H46 As2 La2 N10 S6 -","- C16 H46 As2 La2 N10 S6 -","- C64 H184 As8 La8 N40 S24 -","4","0.5","","Zhou, Jian; Liu, Xing; Li, Rong; An, Litao; Hu, Feilong; Chen, Rong; Wei, Yuanchun","The syntheses, structures and properties of three new lanthanoid thioarsenates: the only example of thioarsenate acting as a ligand to a lanthanide complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11155","11162","10.1039/c3dt50858g","","","0.71073","MoKα","","0.0255","0.0212","","","0.0505","0.0526","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021680","9.5442","0.0001","25.1111","0.0004","27.5039","0.0004","90","","90","","90","","6591.73","0.16","133","2","133.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N O12 V -","- C32 H42 N O12 V -","- C256 H336 N8 O96 V8 -","8","2","","Mohammadnezhad, Gholamhossein; Böhme, Michael; Geibig, Daniel; Burkhardt, Anja; Görls, Helmar; Plass, Winfried","Chiral vanadium(v) complexes with 2-aminoglucose Schiff-base ligands and their solution configurations: synthesis, structures, and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11812","11823","10.1039/c3dt50890k","","","0.71073","MoKα","","0.0446","0.0407","","","0.0947","0.0968","","","","","","1.112","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021681","6.1039","0.0001","18.2392","0.0004","14.3543","0.0003","90","","97.138","0.001","90","","1585.68","0.05","133","2","133.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H31 Cl3 N O9 V -","- C30 H31 Cl3 N O9 V -","- C60 H62 Cl6 N2 O18 V2 -","2","1","","Mohammadnezhad, Gholamhossein; Böhme, Michael; Geibig, Daniel; Burkhardt, Anja; Görls, Helmar; Plass, Winfried","Chiral vanadium(v) complexes with 2-aminoglucose Schiff-base ligands and their solution configurations: synthesis, structures, and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11812","11823","10.1039/c3dt50890k","","","0.71073","MoKα","","0.0269","0.0257","","","0.0599","0.0607","","","","","","1.07","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021682","10.523","0.0003","11.3226","0.0002","28.4192","0.0007","90","","90","","90","","3386.08","0.14","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Br N O11 V -","- C31 H39 Br N O11 V -","- C124 H156 Br4 N4 O44 V4 -","4","1","","Mohammadnezhad, Gholamhossein; Böhme, Michael; Geibig, Daniel; Burkhardt, Anja; Görls, Helmar; Plass, Winfried","Chiral vanadium(v) complexes with 2-aminoglucose Schiff-base ligands and their solution configurations: synthesis, structures, and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11812","11823","10.1039/c3dt50890k","","","0.71073","MoKα","","0.084","0.0552","","","0.0846","0.0949","","","","","","1.2","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021683","18.8179","0.0007","7.2342","0.0003","14.0484","0.0005","90","","101.62","0.002","90","","1873.25","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N O3 -","- C26 H19 N O3 -","- C104 H76 N4 O12 -","4","1","","Gupta, Abhishek Kumar; Dhir, Abhimanew; Pradeep, Chullikkattil P.","A fluorescence 'turn-on' chemodosimeter for selective detection of Nb(5+) ions in mixed aqueous media.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12819","12823","10.1039/c3dt50914a","","","0.71073","MoKα","","0.1249","0.0662","","","0.1539","0.1851","","","","","","0.989","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021684","8.5654","0.0005","11.1973","0.0008","11.5045","0.0006","110.442","0.006","97.754","0.005","109.719","0.006","932.46","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 Cl4 Pd2 Se2 -","- C36 H44 Cl4 Pd2 Se2 -","- C36 H44 Cl4 Pd2 Se2 -","1","0.5","","Kolay, Siddhartha; Wadawale, Amey; Das, Dasarathi; Kisan, Hemanta K.; Sunoj, Raghavan B.; Jain, Vimal K.","Cyclopalladation of dimesityl selenide: synthesis, reactivity, structural characterization, isolation of an intermediate complex with C-HPd intra-molecular interaction and computational studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10828","10837","10.1039/c3dt50935d","","","1.54184","CuKα","","0.0407","0.0291","","","0.0631","0.0676","","","","","","1.021","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7021685","15.1293","0.0005","15.0902","0.0005","15.1702","0.0004","90","","97.287","0.003","90","","3435.45","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cl2 Pd2 Se2 -","- C36 H42 Cl2 Pd2 Se2 -","- C144 H168 Cl8 Pd8 Se8 -","4","1","","Kolay, Siddhartha; Wadawale, Amey; Das, Dasarathi; Kisan, Hemanta K.; Sunoj, Raghavan B.; Jain, Vimal K.","Cyclopalladation of dimesityl selenide: synthesis, reactivity, structural characterization, isolation of an intermediate complex with C-HPd intra-molecular interaction and computational studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10828","10837","10.1039/c3dt50935d","","","1.54184","CuKα","","0.0723","0.0446","","","0.0895","0.1016","","","","","","0.983","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021686","8.735","0.005","10.919","0.005","23.272","0.005","98.092","0.005","93.574","0.005","96.018","0.005","2178.7","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 N2 Pd2 S2 Se2 -","- C46 H50 N2 Pd2 S2 Se2 -","- C92 H100 N4 Pd4 S4 Se4 -","2","1","","Kolay, Siddhartha; Wadawale, Amey; Das, Dasarathi; Kisan, Hemanta K.; Sunoj, Raghavan B.; Jain, Vimal K.","Cyclopalladation of dimesityl selenide: synthesis, reactivity, structural characterization, isolation of an intermediate complex with C-HPd intra-molecular interaction and computational studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10828","10837","10.1039/c3dt50935d","","","0.71073","MoKα","","0.0393","0.0277","","","0.0701","0.0796","","","","","","1.111","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021687","24.997","0.005","9.941","0.005","18.149","0.005","90","","97.153","0.005","90","","4475","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 N2 Pd2 Se4 -","- C46 H50 N2 Pd2 Se4 -","- C184 H200 N8 Pd8 Se16 -","4","0.5","","Kolay, Siddhartha; Wadawale, Amey; Das, Dasarathi; Kisan, Hemanta K.; Sunoj, Raghavan B.; Jain, Vimal K.","Cyclopalladation of dimesityl selenide: synthesis, reactivity, structural characterization, isolation of an intermediate complex with C-HPd intra-molecular interaction and computational studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10828","10837","10.1039/c3dt50935d","","","0.71073","MoKα","","0.0804","0.0336","","","0.0759","0.1013","","","","","","1.029","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021688","12.115","0.003","7.744","0.002","69.22","0.02","90","","90","","90","","6494","3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C34 H56 N2 O2 -","- C34 H56 N2 O2 -","- C272 H448 N16 O16 -","8","2","","Kober, Ewa; Janas, Zofia; Nerkowski, Tomasz; Jerzykiewicz, Lucjan B.","Magnesium, zinc and aluminium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis, solid state and solution structure.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10847","10854","10.1039/c3dt50938a","","","1.5418","CuKα","","0.1161","0.0791","","","0.1854","0.2024","","","","","","1.066","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021689","18.6849","0.0005","19.275","0.0005","22.5718","0.001","90","","90","","90","","8129.3","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H54 Cl2 Mg2 N4 O4 -","- C41 H54 Cl2 Mg2 N4 O4 -","- C328 H432 Cl16 Mg16 N32 O32 -","8","1","","Kober, Ewa; Janas, Zofia; Nerkowski, Tomasz; Jerzykiewicz, Lucjan B.","Magnesium, zinc and aluminium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis, solid state and solution structure.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10847","10854","10.1039/c3dt50938a","","","0.71073","MoKα","","0.1151","0.0469","","","0.0832","0.0895","","","","","","0.997","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021690","14.542","0.003","15.098","0.004","31.839","0.005","90","","94.4","0.03","90","","6970","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H110 N4 O5 Zn2 -","- C68 H110 N4 O5 Zn2 -","- C272 H440 N16 O20 Zn8 -","4","1","","Kober, Ewa; Janas, Zofia; Nerkowski, Tomasz; Jerzykiewicz, Lucjan B.","Magnesium, zinc and aluminium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis, solid state and solution structure.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10847","10854","10.1039/c3dt50938a","","","0.71073","MoKα","","0.0753","0.037","","","0.0785","0.0917","","","","","","0.941","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021691","18.518","0.006","19.252","0.006","22.578","0.007","90","","90","","90","","8049","4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C41 H54 Cl2 N4 O4 Zn2 -","- C41 H54 Cl2 N4 O4 Zn2 -","- C328 H432 Cl16 N32 O32 Zn16 -","8","1","","Kober, Ewa; Janas, Zofia; Nerkowski, Tomasz; Jerzykiewicz, Lucjan B.","Magnesium, zinc and aluminium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis, solid state and solution structure.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10847","10854","10.1039/c3dt50938a","","","0.71073","MoKα","","0.0596","0.0321","","","0.0688","0.0718","","","","","","0.998","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021692","21.042","0.006","20.822","0.005","16.111","0.004","90","","91.14","0.05","90","","7057","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H118 Al2 N4 O4 -","- C72 H118 Al2 N4 O4 -","- C288 H472 Al8 N16 O16 -","4","1","","Kober, Ewa; Janas, Zofia; Nerkowski, Tomasz; Jerzykiewicz, Lucjan B.","Magnesium, zinc and aluminium complexes supported by tripodal diaminebis(aryloxido) ligands: synthesis, solid state and solution structure.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10847","10854","10.1039/c3dt50938a","","","0.71073","MoKα","","0.1331","0.0533","","","0.102","0.1287","","","","","","0.896","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021693","32.4414","0.0005","17.70112","0.00017","33.7386","0.0005","90","","117.144","0.0019","90","","17240.6","0.5","160","2","160","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C183 H150 F18 La2 N30 O18 S6 -","- C183 H150 F18 La2 N30 O18 S6 -","- C732 H600 F72 La8 N120 O72 S24 -","4","0.5","","Ryan, Patrick E.; Guénée, Laure; Piguet, Claude","Monitoring helical twists and effective molarities in dinuclear triple-stranded lanthanide helicates.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11047","11055","10.1039/c3dt50941a","","","1.54184","CuKα","","0.054","0.0502","","","0.1544","0.1598","","","","","","1.576","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021694","18.3243","0.0003","23.0931","0.0003","23.8096","0.0004","90","","130.337","0.001","90","","7680","0.2","160","2","160","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C143 H108 F18 Lu2 N28 O18 S6 -","- C133 H97.5 F9 Lu2 N24.5 O9 S3 -","- C266 H195 F18 Lu4 N49 O18 S6 -","2","0.5","","Ryan, Patrick E.; Guénée, Laure; Piguet, Claude","Monitoring helical twists and effective molarities in dinuclear triple-stranded lanthanide helicates.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11047","11055","10.1039/c3dt50941a","","","1.54184","CuKα","","0.0723","0.0595","","","0.1831","0.1993","","","","","","1.218","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021695","14.227","0.003","20.179","0.004","17.729","0.004","90","","109.899","0.004","90","","4785.9","1.8","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C48 H40 N2 P4 Se4 Sn -","- C48 H40 N2 P4 Se4 Sn -","- C192 H160 N8 P16 Se16 Sn4 -","4","1","","Rufino-Felipe, Ernesto; Osorio, Edison; Merino, Gabriel; Muñoz-Hernández, Miguel-Ángel","Do planar tetracoordinate tin complexes really exist?","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11180","11185","10.1039/c3dt50943e","","","0.71073","MoKα","","0.0471","0.0329","","","0.045","0.0468","","","","","","0.881","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021696","16.508","0.0005","17.4618","0.0005","28.2773","0.0009","90","","90.195","0.002","90","","8151.2","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C94 H72 As2 Cu2 N8 O12 -","- C94 H72 As2 Cu2 N8 O12 -","- C376 H288 As8 Cu8 N32 O48 -","4","2","","Lemus, Luis; Guerrero, Juan; Costamagna, Juan; Lorca, Romina; Jara, Danilo H.; Ferraudi, Guillermo; Oliver, Allen; Lappin, A. Graham","Resolution and characterization of helicate dimer and trimer complexes of 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane with copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11426","11435","10.1039/c3dt50971k","","","0.7749","synchrotron","","0.1722","0.0865","","","0.2182","0.2786","","","","","","0.971","","","","has coordinates,has disorder","179921","2020-10-21","18:00:00",""
"7021697","17.1177","0.0006","17.4161","0.0006","28.77","0.0009","90","","90.228","0.002","90","","8576.9","0.5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C98 H78 As2 Cu2 N10 O12 -","- C98 H78 As2 Cu2 N10 O12 -","- C392 H312 As8 Cu8 N40 O48 -","4","2","","Lemus, Luis; Guerrero, Juan; Costamagna, Juan; Lorca, Romina; Jara, Danilo H.; Ferraudi, Guillermo; Oliver, Allen; Lappin, A. Graham","Resolution and characterization of helicate dimer and trimer complexes of 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane with copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11426","11435","10.1039/c3dt50971k","","","0.71073","MoKα","","0.1267","0.0791","","","0.2007","0.2312","","","","","","1.019","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021698","16.97","0.0005","16.97","0.0005","17.6573","0.0006","90","","90","","120","","4403.7","0.2","150","2","150","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C87 H72 Cl3 Cu3 N12 O12 -","- C87 H72 Cl2.98 Cu3 N12 O11.94 -","- C174 H144 Cl5.96 Cu6 N24 O23.88 -","2","0.166667","","Lemus, Luis; Guerrero, Juan; Costamagna, Juan; Lorca, Romina; Jara, Danilo H.; Ferraudi, Guillermo; Oliver, Allen; Lappin, A. Graham","Resolution and characterization of helicate dimer and trimer complexes of 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane with copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11426","11435","10.1039/c3dt50971k","","","0.7749","synchrotron","","0.0716","0.0646","","","0.2195","0.2302","","","","","","1.064","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021699","20.9348","0.0006","17.0379","0.0005","58.1561","0.0017","90","","98.473","0.002","90","","20517","1","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C141 H114 As3 Cu3 N12 O21 -","- C141 H108 As3 Cu3 N12 O21 -","- C846 H648 As18 Cu18 N72 O126 -","6","3","","Lemus, Luis; Guerrero, Juan; Costamagna, Juan; Lorca, Romina; Jara, Danilo H.; Ferraudi, Guillermo; Oliver, Allen; Lappin, A. Graham","Resolution and characterization of helicate dimer and trimer complexes of 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane with copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11426","11435","10.1039/c3dt50971k","","","0.71073","MoKα","","0.1589","0.1193","","","0.2793","0.3022","","","","","","1.014","","","","has coordinates","179921","2020-10-21","18:00:00",""
"7021700","12.293","0.002","8.9556","0.0016","13.02","0.002","90","","115.75","0.004","90","","1291","0.4","233","2","233.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Osmium(0)(eta4-1,5-cyclooctadiene)(eta6-1,3,5,7-cyclooctatetraene)","","- C16 H20 Os -","- C16 H20 Os -","- C64 H80 Os4 -","4","1","","Low, Jia En; Foelske-Schmitz, Annette; Krumeich, Frank; Wörle, Michael; Baudouin, David; Rascón, Fernando; Copéret, Christophe","Narrowly dispersed silica supported osmium nanoparticles prepared by an organometallic approach: H2 and CO adsorption stoichiometry and hydrogenolysis catalytic activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","35","12620","12625","10.1039/c3dt50980j","","x-ray","0.71073","MoKα","K-L~3~","0.0354","0.0195","","","0.0385","0.0424","","","","","","1.031","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021701","9.931","0.005","14.531","0.007","10.807","0.005","90","","97.59","0.02","90","","1545.9","1.3","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C25 H48 Cl N12 O P4 Rh -","- C25 H48 Cl N12 O P4 Rh -","- C50 H96 Cl2 N24 O2 P8 Rh2 -","2","0.5","","Smoleński, Piotr; Kirillova, Marina V.; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Isomerisation and controlled condensation in an aqueous medium of allyl alcohol catalysed by new water-soluble rhodium complexes with 1,3,5-triaza-7-phosphaadamantane (PTA).","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10867","10874","10.1039/c3dt50992c","","","0.71073","MoKα","","0.1969","0.0734","","","0.1724","0.2629","","","","","","0.948","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021702","27.2415","0.001","11.3351","0.0005","25.7238","0.0011","90","","108.583","0.001","90","","7529","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H48 Cl3 N12 P4 Rh -","- C24 H48 Cl3 N12 P4 Rh -","- C192 H384 Cl24 N96 P32 Rh8 -","8","1","","Smoleński, Piotr; Kirillova, Marina V.; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.","Isomerisation and controlled condensation in an aqueous medium of allyl alcohol catalysed by new water-soluble rhodium complexes with 1,3,5-triaza-7-phosphaadamantane (PTA).","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10867","10874","10.1039/c3dt50992c","","","0.71069","MoKα","","0.0636","0.039","","","0.0885","0.0951","","","","","","0.965","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021703","12.701","0.0004","22.7753","0.0007","23.5347","0.0007","108.709","0.002","99.543","0.002","90.084","0.002","6348","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C133 H162 Al3 N21 O6 -","- C133 H162 Al3 N21 O6 -","- C266 H324 Al6 N42 O12 -","2","1","","Li, Chen-Yu; Liu, Dei-Cheng; Ko, Bao-Tsan","Synthesis, characterization and reactivity of single-site aluminium amides bearing benzotriazole phenoxide ligands: catalysis for ring-opening polymerization of lactide and carbon dioxide/propylene oxide coupling.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11488","11496","10.1039/c3dt51003d","","","0.71073","MoKα","","0.1035","0.0662","","","0.1759","0.2008","","","","","","1.022","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021704","16.6768","0.0006","19.3674","0.0007","25.4626","0.0009","90","","90","","90","","8224.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C87 H96 Al2 N12 O5 -","- C87 H96 Al2 N12 O5 -","- C348 H384 Al8 N48 O20 -","4","1","","Li, Chen-Yu; Liu, Dei-Cheng; Ko, Bao-Tsan","Synthesis, characterization and reactivity of single-site aluminium amides bearing benzotriazole phenoxide ligands: catalysis for ring-opening polymerization of lactide and carbon dioxide/propylene oxide coupling.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11488","11496","10.1039/c3dt51003d","","","0.71073","MoKα","","0.1112","0.0683","","","0.1543","0.1757","","","","","","1.012","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021705","33.779","0.002","8.8592","0.0008","17.7936","0.0012","90","","109.754","0.005","90","","5011.5","0.7","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cl2 N2 O1.5 Te -","- C26 H28 Cl2 N2 O1.5 Te -","- C208 H224 Cl16 N16 O12 Te8 -","8","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.0539","0.0361","","","0.085","0.0909","","","","","","0.98","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7021706","9.2967","0.001","10.2462","0.0011","13.4833","0.0016","92.378","0.009","98.203","0.009","97.233","0.009","1258.8","0.2","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cl F6 N2 P Te -","- C24 H24 Cl F6 N2 P Te -","- C48 H48 Cl2 F12 N4 P2 Te2 -","2","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.0659","0.0411","","","0.0879","0.0953","","","","","","0.913","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021707","8.785","0.008","11.671","0.013","14.197","0.012","105.03","0.09","98.59","0.07","109.95","0.08","1275","2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 Br2 N3 Te -","- C26 H27 Br2 N3 Te -","- C52 H54 Br4 N6 Te2 -","2","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.0684","0.0486","","","0.1152","0.1246","","","","","","1.041","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021708","15.915","0.018","9.941","0.007","16.361","0.013","90","","110.84","0.08","90","","2419","4","150","","150","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C48 H48 Br3 F6 N4 P Te2 -","- C48 H48 Br3 F6 N4 P Te2 -","- C96 H96 Br6 F12 N8 P2 Te4 -","2","0.5","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.1625","0.0628","","","0.108","0.133","","","","","","0.846","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021709","7.837","0.003","17.587","0.009","19.891","0.011","90","","97.28","0.04","90","","2719","2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 I4 N2 Te -","- C24 H24 I4 N2 Te -","- C96 H96 I16 N8 Te4 -","4","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.1188","0.0434","","","0.0814","0.1129","","","","","","0.802","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021710","31.471","0.005","12.1929","0.0017","21.729","0.003","90","","132.577","0.002","90","","6139.8","1.6","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 I6 N2 Te -","- C24 H24 I6 N2 Te -","- C192 H192 I48 N16 Te8 -","8","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.0508","0.0347","","","0.082","0.0917","","","","","","1.018","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021711","22.414","0.0011","22.414","0.0011","10.7778","0.0005","90","","90","","90","","5414.6","0.5","150","","150","","","","","","","","","5","I -4","I -4","82","","","","- C24 H20 Cl6 N2 Te -","- C24 H20 Cl6 N2 Te -","- C192 H160 Cl48 N16 Te8 -","8","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.0371","0.0318","","","0.0836","0.0852","","","","","","1.013","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021712","14.315","0.006","23.765","0.006","14.779","0.012","90","","90","","90","","5028","5","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 Br4 N2 Te -","- C24 H22 Br4 N2 Te -","- C192 H176 Br32 N16 Te8 -","8","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.1055","0.0492","","","0.0675","0.0807","","","","","","0.928","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021713","9.2192","0.0012","12.002","0.0016","14.3375","0.0018","89.947","0.01","108.386","0.01","110.917","0.01","1395","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Br6 N2 Te -","- C24 H22 Br6 N2 Te -","- C48 H44 Br12 N4 Te2 -","2","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.0954","0.0514","","","0.093","0.1048","","","","","","0.964","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021714","12.8089","0.0018","10.4279","0.0014","16.766","0.002","90","","90","","90","","2239.4","0.5","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H25 Cl N2 O Te -","- C24 H25 Cl N2 O Te -","- C96 H100 Cl4 N8 O4 Te4 -","4","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.029","0.0219","","","0.0461","0.0491","","","","","","1.069","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021715","13.2151","0.0013","9.0546","0.0005","23.424","0.002","90","","103.826","0.008","90","","2721.6","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Br N2 O3 Te -","- C28 H35 Br N2 O3 Te -","- C112 H140 Br4 N8 O12 Te4 -","4","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.1034","0.0451","","","0.0844","0.1116","","","","","","0.873","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021716","11.496","0.005","21.96","0.011","18.202","0.009","90","","90","","90","","4595","4","150","","150","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H25 I N2 O Te -","- C24 H25 I N2 O Te -","- C192 H200 I8 N16 O8 Te8 -","8","2","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.1377","0.058","","","0.1021","0.1386","","","","","","0.859","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021717","11.2981","0.001","12.4425","0.0007","19.6474","0.0019","90","","94.176","0.008","90","","2754.6","0.4","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 I3 N2 O Te -","- C24 H25 I3 N2 O Te -","- C96 H100 I12 N8 O4 Te4 -","4","1","","Beckmann, Jens; Bolsinger, Jens; Duthie, Andrew; Finke, Pamela","Diarylhalotelluronium(iv) cations [(8-Me2NC10H6)2TeX](+) (X = Cl, Br, I) stabilized by intramolecularly coordinating N-donor substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12193","12202","10.1039/c3dt51011e","","","0.71073","MoKα","","0.0607","0.0354","","","0.08","0.0864","","","","","","0.849","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021718","8.413","0.0002","18.193","0.0005","28.491","0.0009","90","","90","","90","","4360.8","0.2","293","2","293","2","","","","","","","","6","P c 21 b","P -2bc -2c","29","[CuH4(py33233)]","","","- C21 H53 Cl6 Cu N7 O28 -","- C21 H53 Cl6 Cu N7 O28 -","- C84 H212 Cl24 Cu4 N28 O112 -","4","1","","Belda, Raquel; Blasco, Salvador; Verdejo, Begoña; Jiménez, Hermas R; Doménech-Carbó, Antonio; Soriano, Conxa; Latorre, Julio; Terencio, Carmen; García-España, Enrique","Homo- and heterobinuclear Cu(2+) and Zn(2+) complexes of abiotic cyclic hexaazapyridinocyclophanes as SOD mimics.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11194","11204","10.1039/c3dt51012c","","","0.71073","MoKα","","0.0861","0.0593","","","0.142","0.1598","","","","","","1.055","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021719","23.2507","0.0007","14.6302","0.0004","25.544","0.0007","90","","93.682","0.002","90","","8671.2","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51.5 H36 Cl1.5 N3 O5 Re Se -","- C51.5 H36.5 Cl1.5 N3 O5 Re Se -","- C412 H292 Cl12 N24 O40 Re8 Se8 -","8","1","","Ghosh, Avijit; Gonnade, Rajesh; Ravikanth, Mangalampalli","Rhenium(i) tricarbonyl complex of 5,20-bis(p-tolyl)-10,15-bis(p-methoxyphenyl)-21-selenaporphyrin: first X-ray structural characterization of metal complex of 21-selenaporphyrin.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10798","10806","10.1039/c3dt51024g","","","0.71073","MoKα","","0.0497","0.0449","","","0.1029","0.1054","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021720","11.277","0.004","12.28","0.004","21.27","0.007","95.437","0.004","91.368","0.004","92.086","0.004","2929.2","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H54 Cl6 O2 P2 Ru2 -","- C53 H54 Cl6 O2 P2 Ru2 -","- C106 H108 Cl12 O4 P4 Ru4 -","2","1","","Kumar, Pawan; Siddiqui, Mujahuddin M.; Reddi, Yerrnaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.","New bisphosphomide ligands, 1,3-phenylenebis((diphenylphosphino)methanone) and (2-bromo-1,3-phenylene)bis((diphenylphosphino)methanone): synthesis, coordination behavior, DFT calculations and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11385","11399","10.1039/c3dt51046h","","","0.71073","MoKα","","0.0743","0.0594","","","0.1476","0.1568","","","","","","1.04","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021721","11.789","0.003","12.147","0.002","12.8117","0.0019","62.959","0.014","68.313","0.017","76.844","0.018","1514.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25 Cl3 O2 P2 Pd -","- C33 H25 Cl3 O2 P2 Pd -","- C66 H50 Cl6 O4 P4 Pd2 -","2","1","","Kumar, Pawan; Siddiqui, Mujahuddin M.; Reddi, Yerrnaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.","New bisphosphomide ligands, 1,3-phenylenebis((diphenylphosphino)methanone) and (2-bromo-1,3-phenylene)bis((diphenylphosphino)methanone): synthesis, coordination behavior, DFT calculations and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11385","11399","10.1039/c3dt51046h","","","0.71073","MoKα","","0.0471","0.0458","","","0.1237","0.1252","","","","","","1.047","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021722","11.9842","0.0012","12.0194","0.0012","12.7559","0.0013","63.683","0.001","67.267","0.001","76.562","0.001","1514.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H25 Br Cl2 Ni O2 P2 -","- C33 H25 Br Cl2 Ni O2 P2 -","- C66 H50 Br2 Cl4 Ni2 O4 P4 -","2","1","","Kumar, Pawan; Siddiqui, Mujahuddin M.; Reddi, Yerrnaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.","New bisphosphomide ligands, 1,3-phenylenebis((diphenylphosphino)methanone) and (2-bromo-1,3-phenylene)bis((diphenylphosphino)methanone): synthesis, coordination behavior, DFT calculations and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11385","11399","10.1039/c3dt51046h","","","0.71073","MoKα","","0.0422","0.0354","","","0.0888","0.0928","","","","","","1.049","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021723","9.112","0.004","24.206","0.011","12.977","0.006","90","","102.137","0.006","90","","2798","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 Br O2 P2 Pd -","- C32 H23 Br O2 P2 Pd -","- C128 H92 Br4 O8 P8 Pd4 -","4","1","","Kumar, Pawan; Siddiqui, Mujahuddin M.; Reddi, Yerrnaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.","New bisphosphomide ligands, 1,3-phenylenebis((diphenylphosphino)methanone) and (2-bromo-1,3-phenylene)bis((diphenylphosphino)methanone): synthesis, coordination behavior, DFT calculations and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11385","11399","10.1039/c3dt51046h","","","0.71073","MoKα","","0.0364","0.0283","","","0.0663","0.0703","","","","","","1.048","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021724","14.1567","0.0018","14.4395","0.0018","17.487","0.002","91.137","0.002","91.028","0.002","112.604","0.002","3298.1","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","Di-μ-chlorobis(μ-(3-diphenylphosphanecarbonylphenyl) diphenylphosphanylmethanone)dicopper(I)","","- C72 H60 Cl2 Cu2 N4 O4 P4 -","- C72 H60 Cl2 Cu2 N4 O4 P4 -","- C144 H120 Cl4 Cu4 N8 O8 P8 -","2","1","","Kumar, Pawan; Siddiqui, Mujahuddin M.; Reddi, Yerrnaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.","New bisphosphomide ligands, 1,3-phenylenebis((diphenylphosphino)methanone) and (2-bromo-1,3-phenylene)bis((diphenylphosphino)methanone): synthesis, coordination behavior, DFT calculations and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11385","11399","10.1039/c3dt51046h","","","0.71073","MoKα","","0.0614","0.0415","","","0.0994","0.1141","","","","","","1.019","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021725","13.0999","0.0019","29.083","0.004","18.143","0.003","90","","110.317","0.002","90","","6482.2","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","μ-Diiodobis(μ-(3-diphenylphosphanecarbonylphenyl)- diphenylphosphanylmethanone)dicopper(I) tetrahydrofuran solvate","","- C68 H56 Cu2 I2 O5 P4 -","- C68 H56 Cu2 I2 O5 P4 -","- C272 H224 Cu8 I8 O20 P16 -","4","1","","Kumar, Pawan; Siddiqui, Mujahuddin M.; Reddi, Yerrnaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.","New bisphosphomide ligands, 1,3-phenylenebis((diphenylphosphino)methanone) and (2-bromo-1,3-phenylene)bis((diphenylphosphino)methanone): synthesis, coordination behavior, DFT calculations and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11385","11399","10.1039/c3dt51046h","","","0.71073","MoKα","","0.0681","0.0446","","","0.0947","0.1031","","","","","","1.059","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021726","14.296","0.003","29.654","0.007","15.474","0.003","90","","102.318","0.003","90","","6409","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C131 H102 Ag4 Cl10 O16 P8 -","- C131 H102 Ag4 Cl10 O16 P8 -","- C262 H204 Ag8 Cl20 O32 P16 -","2","0.5","","Kumar, Pawan; Siddiqui, Mujahuddin M.; Reddi, Yerrnaidu; Mague, Joel T.; Sunoj, Raghavan B.; Balakrishna, Maravanji S.","New bisphosphomide ligands, 1,3-phenylenebis((diphenylphosphino)methanone) and (2-bromo-1,3-phenylene)bis((diphenylphosphino)methanone): synthesis, coordination behavior, DFT calculations and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11385","11399","10.1039/c3dt51046h","","","0.71073","MoKα","","0.0843","0.0565","","","0.1268","0.1435","","","","","","1.021","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021727","13.3468","0.0008","14.6866","0.0009","26.3599","0.0016","76.139","0.001","77.685","0.002","64.19","0.001","4480.9","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C94 H58 Br2 Cl6 Dy2 N18 O4 -","- C94 H58 Br2 Cl6 Dy2 N18 O4 -","- C188 H116 Br4 Cl12 Dy4 N36 O8 -","2","1","","Gao, Feng; Li, Yu-Yang; Liu, Cai-Ming; Li, Yi-Zhi; Zuo, Jing-Lin","A sandwich-type triple-decker lanthanide complex with mixed phthalocyanine and Schiff base ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11043","11046","10.1039/c3dt51051d","","","0.71073","MoKα","","0.0671","0.0488","","","0.0958","0.0988","","","","","","1.077","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021728","37.0306","0.0007","37.0306","0.0007","18.3039","0.0007","90","","90","","120","","21736.8","1","293","2","293","2","","","","","","","","8","R 3 m :H","R 3 -2""","160","","","","- C12 H57 Cu Mo16 N3 Na5 O76 V2 -","- C12 H30 Cu0.09 Mo16 N3 Na1.01 O71.01 V2 -","- C108 H270 Cu0.81 Mo144 N27 Na9.09 O639.09 V18 -","9","0.5","","Li, Fengyan; Meng, Fanzhi; Ma, Lifang; Xu, Lin; Sun, Zhixia; Gao, Qiao","3D pure inorganic framework based on polymolybdovanadate possessing photoelectric properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12079","12082","10.1039/c3dt51057c","","","0.71073","MoKα","","0.0785","0.0426","","","0.1077","0.1171","","","","","","0.985","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021729","21.4103","0.0019","26.03","0.002","20.5147","0.0018","90","","111.082","0.002","90","","10667.8","1.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H80 As F30 N16 O11 S -","- C87.69 H81.07 As F30 N16 O11 S -","- C350.76 H324.28 As4 F120 N64 O44 S4 -","4","1","","Dutta, Ranjan; Bose, Purnandhu; Ghosh, Pradyut","Arsenate recognition in aqueous media by a simple tripodal urea.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11371","11374","10.1039/c3dt51074c","","","0.71073","MoKα","","0.1187","0.0997","","","0.2715","0.289","","","","","","0.85","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021730","14.953","0.003","24.603","0.005","26.133","0.005","90","","103.96","0.03","90","","9330","3","200","2","200","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H92 Dy Li N4 O4 P4 -","- C88 H92 Dy Li N4 O4 P4 -","- C352 H368 Dy4 Li4 N16 O16 P16 -","4","1","","Völcker, Franziska; Lan, Yanhua; Powell, Annie K.; Roesky, Peter W.","Slow magnetic relaxation in tris(diphosphanylamido) and tetra(phosphanoamido) dysprosium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11471","11475","10.1039/c3dt51078f","","","0.71073","MoKα","","0.1085","0.0391","","","0.0617","0.0722","","","","","","0.742","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021731","9.3307","0.0006","18.6233","0.0013","9.6719","0.0007","90","","114.796","0.003","90","","1525.72","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 I N3 -","- C16 H16 I N3 -","- C64 H64 I4 N12 -","4","1","","Hohloch, Stephan; Frey, Wolfgang; Su, Cheng-Yong; Sarkar, Biprajit","Abnormal carbenes derived from the 1,5-cycloaddition product between azides and alkynes: structural characterization of Pd(ii) complexes and their catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11355","11358","10.1039/c3dt51083b","","","0.71073","MoKα","","0.018","0.0158","","","0.0382","0.0389","","","","","","1.053","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021732","13.4987","0.0018","14.889","0.002","14.0557","0.0019","90","","97.797","0.003","90","","2798.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H56 Cl4 N12 O Pd2 -","- C60 H56 Cl4 N12 O Pd2 -","- C120 H112 Cl8 N24 O2 Pd4 -","2","0.5","","Hohloch, Stephan; Frey, Wolfgang; Su, Cheng-Yong; Sarkar, Biprajit","Abnormal carbenes derived from the 1,5-cycloaddition product between azides and alkynes: structural characterization of Pd(ii) complexes and their catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11355","11358","10.1039/c3dt51083b","","","0.71073","MoKα","","0.0279","0.0246","","","0.0639","0.0669","","","","","","1.054","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021733","16.427","0.003","8.2599","0.0012","12.1501","0.0017","90","","116.214","0.007","90","","1479","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H30 Cl2 N6 Pd -","- C32 H30 Cl2 N6 Pd -","- C64 H60 Cl4 N12 Pd2 -","2","0.5","","Hohloch, Stephan; Frey, Wolfgang; Su, Cheng-Yong; Sarkar, Biprajit","Abnormal carbenes derived from the 1,5-cycloaddition product between azides and alkynes: structural characterization of Pd(ii) complexes and their catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11355","11358","10.1039/c3dt51083b","","","0.71073","MoKα","","0.0983","0.062","","","0.1314","0.1591","","","","","","1.069","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021734","24.7893","0.0014","15.1436","0.0009","19.3799","0.0011","90","","113.01","0.002","90","","6696.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Cl2 N6 Pd -","- C36 H38 Cl2 N6 Pd -","- C288 H304 Cl16 N48 Pd8 -","8","2","","Hohloch, Stephan; Frey, Wolfgang; Su, Cheng-Yong; Sarkar, Biprajit","Abnormal carbenes derived from the 1,5-cycloaddition product between azides and alkynes: structural characterization of Pd(ii) complexes and their catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11355","11358","10.1039/c3dt51083b","","","1.54178","CuKα","","0.0942","0.0877","","","0.2283","0.2356","","","","","","1.073","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021735","6.9323","0.0005","8.1273","0.0006","9.2839","0.0006","108.53","0.01","111.8","0.01","99.19","0.01","436.96","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Fe N6 O2 S2 -","- C12 H16 Fe N6 O2 S2 -","- C12 H16 Fe N6 O2 S2 -","1","0.5","","Wöhlert, Susanne; Peters, Lars; Näther, Christian","Synthesis, structures and magnetic properties of Fe(ii) and Co(ii) thiocyanato coordination compounds: on the importance of the diamagnetic counterparts for structure determination.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10746","10758","10.1039/c3dt51085a","","","0.71073","MoKα","","0.0284","0.0243","","","0.0645","0.066","","","","","","1.084","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021736","7.3778","0.0007","10.1202","0.0005","14.0457","0.0016","90","","105.909","0.009","90","","1008.55","0.16","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Co N6 O2 S2 -","- C14 H20 Co N6 O2 S2 -","- C28 H40 Co2 N12 O4 S4 -","2","0.5","","Wöhlert, Susanne; Peters, Lars; Näther, Christian","Synthesis, structures and magnetic properties of Fe(ii) and Co(ii) thiocyanato coordination compounds: on the importance of the diamagnetic counterparts for structure determination.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10746","10758","10.1039/c3dt51085a","","","0.71073","MoKα","","0.0702","0.0512","","","0.1224","0.1313","","","","","","1.051","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021737","8.1838","0.0006","13.5028","0.0011","15.2673","0.0011","101.562","0.009","99.853","0.009","96.48","0.01","1609.5","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 Co N12 S2 -","- C27 H29 Co N12 S2 -","- C54 H58 Co2 N24 S4 -","2","1","","Wöhlert, Susanne; Peters, Lars; Näther, Christian","Synthesis, structures and magnetic properties of Fe(ii) and Co(ii) thiocyanato coordination compounds: on the importance of the diamagnetic counterparts for structure determination.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10746","10758","10.1039/c3dt51085a","","","0.71073","MoKα","","0.066","0.0537","","","0.148","0.1558","","","","","","1.039","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021738","8.4262","0.0003","9.6325","0.0003","13.0926","0.0005","90","","94.251","0.003","90","","1059.74","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 Cd N4 S2 -","- C7 H6 Cd N4 S2 -","- C28 H24 Cd4 N16 S8 -","4","1","","Wöhlert, Susanne; Peters, Lars; Näther, Christian","Synthesis, structures and magnetic properties of Fe(ii) and Co(ii) thiocyanato coordination compounds: on the importance of the diamagnetic counterparts for structure determination.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10746","10758","10.1039/c3dt51085a","","","0.71073","MoKα","","0.0258","0.0216","","","0.0503","0.0516","","","","","","1.068","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021739","16.147","0.003","10.51","0.002","19.719","0.004","90","","93.087","0.003","90","","3341.6","1.1","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 B N6 O3 Re S3 -","- C33 H28 B N6 O3 Re S3 -","- C132 H112 B4 N24 O12 Re4 S12 -","4","1","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of bis and tris(2-mercapto-1-methylbenzimidazolyl)hydroborato complexes: benzannulation promotes κ(3)-coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11117","11127","10.1039/c3dt51092a","","","0.71073","MoKα","","0.0399","0.0266","","","0.0538","0.0581","","","","","","1.015","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021740","34.381","0.013","16.553","0.006","11.073","0.004","90","","96.783","0.006","90","","6258","4","125","2","125","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H68 B2 N12 Na2 O3 S6 -","- C60 H68 B2 N12 Na2 O3 S6 -","- C240 H272 B8 N48 Na8 O12 S24 -","4","0.5","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of bis and tris(2-mercapto-1-methylbenzimidazolyl)hydroborato complexes: benzannulation promotes κ(3)-coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11117","11127","10.1039/c3dt51092a","","","0.71073","MoKα","","0.1018","0.0482","","","0.099","0.1176","","","","","","1.012","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021741","15.943","0.002","8.8788","0.0011","16.066","0.002","90","","103.346","0.002","90","","2212.8","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 B Cu N4 P S2 -","- C19 H25 B Cu N4 P S2 -","- C76 H100 B4 Cu4 N16 P4 S8 -","4","1","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of bis and tris(2-mercapto-1-methylbenzimidazolyl)hydroborato complexes: benzannulation promotes κ(3)-coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11117","11127","10.1039/c3dt51092a","","","0.71073","MoKα","","0.0432","0.031","","","0.0789","0.0848","","","","","","1.041","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021742","10.2914","0.0009","10.605","0.0009","12.597","0.0011","111.129","0.001","94.924","0.001","95.153","0.001","1266.85","0.19","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H64 B2 N8 Na2 O4 S4 -","- C48 H64 B2 N8 Na2 O4 S4 -","- C48 H64 B2 N8 Na2 O4 S4 -","1","0.5","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of bis and tris(2-mercapto-1-methylbenzimidazolyl)hydroborato complexes: benzannulation promotes κ(3)-coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11117","11127","10.1039/c3dt51092a","","","0.71073","MoKα","","0.0718","0.05","","","0.1268","0.1396","","","","","","1.077","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021743","15.4166","0.0007","15.4166","0.0007","11.4883","0.0006","90","","90","","120","","2364.6","0.2","150","2","150","2","","","","","","","","7","P -3","-P 3","147","","","","- C96 H104 B2 Cu2 N12 P2 S6 -","- C96 H104 B2 Cu2 N12 P2 S6 -","- C96 H104 B2 Cu2 N12 P2 S6 -","1","0.166667","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of bis and tris(2-mercapto-1-methylbenzimidazolyl)hydroborato complexes: benzannulation promotes κ(3)-coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11117","11127","10.1039/c3dt51092a","","","0.71073","MoKα","","0.0447","0.0321","","","0.0804","0.089","","","","","","1.051","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021744","28.6866","0.0015","18.3837","0.0009","25.0892","0.0014","90","","111.66","0.006","90","","12296.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C127 H96 N12 O20 Re4 S6 -","- C127 H88 N12 O20 Re4 S6 -","- C508 H352 N48 O80 Re16 S24 -","4","1","","Rajakannu, Palanisamy; Elumalai, Palani; Shankar, Bhaskaran; Hussain, Firasat; Sathiyendiran, Malaichamy","Rhenium(i) based metallocalix[4]arenes decorated with free functionalized benzimidazolyl units.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11359","11362","10.1039/c3dt51096d","","","0.71073","MoKα","","0.1214","0.0671","","","0.1593","0.1862","","","","","","1.041","","","","has coordinates","288507","2023-12-22","15:51:22",""
"7021745","13.1042","0.0004","13.4573","0.0004","14.6018","0.0005","91.058","0.003","93.181","0.003","101.095","0.003","2521.85","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 N10 O6 Re2 S3 -","- C52 H40 N10 O6 Re2 S3 -","- C104 H80 N20 O12 Re4 S6 -","2","1","","Rajakannu, Palanisamy; Elumalai, Palani; Shankar, Bhaskaran; Hussain, Firasat; Sathiyendiran, Malaichamy","Rhenium(i) based metallocalix[4]arenes decorated with free functionalized benzimidazolyl units.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11359","11362","10.1039/c3dt51096d","","","0.71073","MoKα","","0.0365","0.0267","","","0.0552","0.0597","","","","","","1.033","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021746","23.346","0.003","13.6127","0.0009","18.1764","0.0016","90","","110.725","0.012","90","","5402.7","1","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H38 N6 O12 Re2 S3 -","- C57 H38 N6 O12 Re2 S3 -","- C228 H152 N24 O48 Re8 S12 -","4","1","","Rajakannu, Palanisamy; Elumalai, Palani; Shankar, Bhaskaran; Hussain, Firasat; Sathiyendiran, Malaichamy","Rhenium(i) based metallocalix[4]arenes decorated with free functionalized benzimidazolyl units.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11359","11362","10.1039/c3dt51096d","","","0.71073","MoKα","","0.1563","0.1023","","","0.203","0.2268","","","","","","1.154","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021747","12.8639","0.0002","21.2643","0.0004","21.535","0.0004","107.672","0.002","90.28","0.001","100.23","0.002","5512.64","0.18","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 N6 O12 Re2 S3 -","- C48 H38 N6 O12 Re2 S3 -","- C192 H152 N24 O48 Re8 S12 -","4","2","","Rajakannu, Palanisamy; Elumalai, Palani; Shankar, Bhaskaran; Hussain, Firasat; Sathiyendiran, Malaichamy","Rhenium(i) based metallocalix[4]arenes decorated with free functionalized benzimidazolyl units.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11359","11362","10.1039/c3dt51096d","","","0.71073","MoKα","","0.0923","0.0607","","","0.158","0.1723","","","","","","1.06","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021748","12.3843","0.0006","15.8374","0.0007","19.3284","0.001","90","","90","","90","","3791","0.3","103","2","103","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H13 Co Cu N2 O6 -","- C19 H13 Co Cu N2 O6 -","- C152 H104 Co8 Cu8 N16 O48 -","8","1","","Gao, Junkuo; He, Mi; Lee, Zhi Yi; Cao, Wenfang; Xiong, Wei-Wei; Li, Yongxin; Ganguly, Rakesh; Wu, Tom; Zhang, Qichun","A surfactant-thermal method to prepare four new three-dimensional heterometal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11367","11370","10.1039/c3dt51103k","","","0.71073","MoKα","","0.0309","0.0266","","","0.074","0.1011","","","","","","1.177","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021749","12.419","0.003","15.579","0.003","19.68","0.004","90","","90","","90","","3807.6","1.4","103","2","103","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C19 H4.25 Cu N2 Ni O6 -","- C19 H13 Cu N2 Ni O6 -","- C152 H104 Cu8 N16 Ni8 O48 -","8","1","","Gao, Junkuo; He, Mi; Lee, Zhi Yi; Cao, Wenfang; Xiong, Wei-Wei; Li, Yongxin; Ganguly, Rakesh; Wu, Tom; Zhang, Qichun","A surfactant-thermal method to prepare four new three-dimensional heterometal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11367","11370","10.1039/c3dt51103k","","","0.71073","MoKα","","0.1019","0.0694","","","0.1728","0.1987","","","","","","0.985","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021750","10.1992","0.0017","13.863","0.003","16.408","0.003","90","","90","","90","","2320","0.8","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 B2 Cu F8 N4 -","- C20 H20 B2 Cu F8 N4 -","- C80 H80 B8 Cu4 F32 N16 -","4","1","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","","0.0439","","","","0.1358","","","","","","1.039","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021751","10.4904","0.0006","16.2621","0.0009","16.5574","0.0008","90","","90","","90","","2824.6","0.3","173","","173","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H20 Cu F6 N4 O6 S2 -","- C22 H20 Cu F6 N4 O6 S2 -","- C88 H80 Cu4 F24 N16 O24 S8 -","4","0.5","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","","0.0349","","","","0.0966","","","","","","1.095","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021752","10.5114","0.0003","16.0893","0.0006","15.1197","0.0004","90","","90","","90","","2557.06","0.14","173","","173","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H26 Cu N4 O6 S2 -","- C22 H26 Cu N4 O6 S2 -","- C88 H104 Cu4 N16 O24 S8 -","4","0.5","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","","0.0284","","","","0.0799","","","","","","1.109","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021753","10.3422","0.0004","14.2056","0.0005","17.5595","0.0006","90","","91.9838","0.0011","90","","2578.25","0.16","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cu F12 N4 P2 -","- C20 H20 Cu F12 N4 P2 -","- C80 H80 Cu4 F48 N16 P8 -","4","1","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","","0.0321","","","","0.083","","","","","","1.129","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021754","15.2828","0.0005","15.7662","0.0006","13.1923","0.0004","90","","90","","90","","3178.71","0.19","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C26 H32 B2 Cu F8 N4 O2 -","- C26 H32 B2 Cu F8 N4 O2 -","- C104 H128 B8 Cu4 F32 N16 O8 -","4","0.5","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","0.0501","0.0422","","","0.1216","0.1276","","","","","","1.065","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021755","16.6403","0.0007","16.6403","0.0007","16.6403","0.0007","90","","90","","90","","4607.7","0.3","173","","173","","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C22 H31.34 Cu N4 O8.67 S2 -","- C22 H20 Cu N4 O8.66693 S2 -","- C132 H120 Cu6 N24 O52.0016 S12 -","6","0.125","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","","0.0555","","","","0.1979","","","","","","1.12","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021756","14.1997","0.0005","15.7445","0.0006","15.5562","0.0007","90","","91.1894","0.0013","90","","3477.1","0.2","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Cu F12 N4 O2 P2 -","- C26 H32 Cu F12 N4 O2 P2 -","- C104 H128 Cu4 F48 N16 O8 P8 -","4","0.5","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","","0.0309","","","","0.0896","","","","","","1.073","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021757","11.2091","0.0007","11.2091","0.0007","13.959","0.0011","90","","90","","90","","1753.9","0.2","173","","173","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C30 H30 Cu F12 N6 P2 -","- C32 H20 Cu F12 N4 P2 -","- C64 H40 Cu2 F24 N8 P4 -","2","0.125","","Noro, Shin-Ichiro; Fukuhara, Katsuo; Sugimoto, Kunihisa; Hijikata, Yuh; Kubo, Kazuya; Nakamura, Takayoshi","Anion-dependent host-guest properties of porous assemblies of coordination complexes (PACs), [Cu(A)2(py)4] (A = PF6, BF4, CF3SO3, and CH3SO3; py = pyridine), based on Werner-type copper(ii) complexes in the solid state.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11100","11110","10.1039/c3dt51104a","","","0.71075","MoKα","","","0.0299","","","","0.0769","","","","","","1.134","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021758","7.234","0.0012","7.9678","0.0013","18.53","0.003","90","","95.247","0.003","90","","1063.6","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N O5 P -","- C10 H12 N O5 P -","- C40 H48 N4 O20 P4 -","4","1","","Cao, Deng-Ke; Liu, Bei; Gu, Yan-Wei; Feng, Jia-Qi; Zhao, Yue","Phosphonates containing 8-hydroxyquinoline moiety and their metal complexes: structures, fluorescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12228","12237","10.1039/c3dt51108a","","","0.71073","MoKα","","0.0951","0.0704","","","0.1705","0.1861","","","","","","1.026","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021759","7.3523","0.0017","9.164","0.002","18.612","0.004","90","","95.622","0.004","90","","1248","0.5","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cl N O5 P -","- C10 H13 Cl N O5 P -","- C40 H52 Cl4 N4 O20 P4 -","4","1","","Cao, Deng-Ke; Liu, Bei; Gu, Yan-Wei; Feng, Jia-Qi; Zhao, Yue","Phosphonates containing 8-hydroxyquinoline moiety and their metal complexes: structures, fluorescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12228","12237","10.1039/c3dt51108a","","","0.71073","MoKα","","0.0602","0.0517","","","0.1706","0.1789","","","","","","1.076","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021760","15.4847","0.0016","7.8115","0.0008","19.2932","0.0019","90","","90","","90","","2333.7","0.4","291","2","291","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H12 N O6 P Zn -","- C10 H12 N O6 P Zn -","- C80 H96 N8 O48 P8 Zn8 -","8","1","","Cao, Deng-Ke; Liu, Bei; Gu, Yan-Wei; Feng, Jia-Qi; Zhao, Yue","Phosphonates containing 8-hydroxyquinoline moiety and their metal complexes: structures, fluorescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12228","12237","10.1039/c3dt51108a","","","0.71073","MoKα","","0.0733","0.0544","","","0.1107","0.1141","","","","","","1.014","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021761","10.8573","0.001","11.5904","0.0011","10.9689","0.001","90","","96.08","0.001","90","","1372.6","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cu N O8 P -","- C12 H14 Cu N O8 P -","- C48 H56 Cu4 N4 O32 P4 -","4","1","","Cao, Deng-Ke; Liu, Bei; Gu, Yan-Wei; Feng, Jia-Qi; Zhao, Yue","Phosphonates containing 8-hydroxyquinoline moiety and their metal complexes: structures, fluorescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12228","12237","10.1039/c3dt51108a","","","0.71073","MoKα","","0.0559","0.0426","","","0.1218","0.1496","","","","","","1.019","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021762","7.7487","0.0015","19.408","0.004","8.3361","0.0017","90","","99.81","0.03","90","","1235.3","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Fe N O6 P -","- C12 H10 Fe N O6 P -","- C48 H40 Fe4 N4 O24 P4 -","4","1","","Cao, Deng-Ke; Liu, Bei; Gu, Yan-Wei; Feng, Jia-Qi; Zhao, Yue","Phosphonates containing 8-hydroxyquinoline moiety and their metal complexes: structures, fluorescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12228","12237","10.1039/c3dt51108a","","","0.71073","MoKα","","0.0744","0.0457","","","0.116","0.1258","","","","","","1.007","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021763","15.1994","0.0004","15.1994","0.0005","56.421","0.003","90","","90","","120","0.007","11288.2","1.1","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- H56 Li6 O90 P2 W18 -","- Li5.3 O89.85 P2 W18 -","- Li31.8 O539.1 P12 W108 -","6","0.166667","","Kato, Chisato; Nishihara, Sadafumi; Tsunashima, Ryo; Tatewaki, Yoko; Okada, Shuji; Ren, Xiao-Ming; Inoue, Katsuya; Long, De-Liang; Cronin, Leroy","Quick and selective synthesis of Li6[α-P2W18O62]·28H2O soluble in various organic solvents.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11363","11366","10.1039/c3dt51120k","","","0.71073","MoKα","","0.0186","0.0158","","","0.0358","0.0374","","","","","","0.999","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021764","8.758","0.0001","19.9716","0.0003","20.9905","0.0003","61.727","0.001","83.514","0.001","77.575","0.001","3157.48","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H54 B2 Cu F8 N12 O21 -","- C54 H54 B2 Cu F8 N12 O21 -","- C108 H108 B4 Cu2 F16 N24 O42 -","2","1","","Hong, Woosik; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Direct anion effects on coordination polymerizations: construction and physicochemical properties of 1D, 2D, and 3D copper(ii) coordination polymers containing 1,3,5-tris(isonicotinoyloxyethyl)cyanurate.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11092","11099","10.1039/c3dt51124c","","","0.71073","MoKα","","0.1636","0.0621","","","0.0899","0.1014","","","","","","1.006","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021765","14.3708","0.0002","16.6625","0.0002","20.502","0.0003","90","","107.974","0.001","90","","4669.69","0.11","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 Cl6 Cu N6 O19 S2 -","- C33 H40 Cl6 Cu N6 O19 S2 -","- C132 H160 Cl24 Cu4 N24 O76 S8 -","4","1","","Hong, Woosik; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Direct anion effects on coordination polymerizations: construction and physicochemical properties of 1D, 2D, and 3D copper(ii) coordination polymers containing 1,3,5-tris(isonicotinoyloxyethyl)cyanurate.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11092","11099","10.1039/c3dt51124c","","","0.71073","MoKα","","0.0956","0.0674","","","0.1681","0.1854","","","","","","1.034","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021766","12.3299","0.0001","22.7467","0.0003","26.7771","0.0003","90","","101.159","0.001","90","","7368.04","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H64 Cl4 Cu2 N16 O33 -","- C59 H64 Cl4 Cu2 N16 O33 -","- C236 H256 Cl16 Cu8 N64 O132 -","4","1","","Hong, Woosik; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Direct anion effects on coordination polymerizations: construction and physicochemical properties of 1D, 2D, and 3D copper(ii) coordination polymers containing 1,3,5-tris(isonicotinoyloxyethyl)cyanurate.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11092","11099","10.1039/c3dt51124c","","","0.71073","MoKα","","0.1357","0.0921","","","0.2334","0.2625","","","","","","1.052","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021767","9.6314","0.0003","13.3745","0.0005","22.5647","0.0008","90","","90","","90","","2906.68","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H40 B2 O4 Ru2 -","- C28 H35 B2 O4 Ru2 -","- C112 H140 B8 O16 Ru8 -","4","1","","Anju, R. S.; Roy, Dipak Kumar; Geetharani, K.; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal","A fine tuning of metallaborane to bridged-boryl complex, [(Cp*Ru)2(μ-H)(μ-CO)(μ-Bcat)] (cat = 1,2-O2C6H4; Cp* = η(5)-C5Me5).","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12828","12831","10.1039/c3dt51138c","","","0.71073","MoKα","","0.0383","0.0306","","","0.0767","0.083","","","","","","1.076","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021768","10.773","0.004","10.793","0.004","12.098","0.004","73.97","0.02","73.995","0.019","83.093","0.019","1298.1","0.8","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 B O3 Ru2 -","- C26.963 H34 B O3 Ru2 -","- C53.926 H68 B2 O6 Ru4 -","2","1","","Anju, R. S.; Roy, Dipak Kumar; Geetharani, K.; Mondal, Bijan; Varghese, Babu; Ghosh, Sundargopal","A fine tuning of metallaborane to bridged-boryl complex, [(Cp*Ru)2(μ-H)(μ-CO)(μ-Bcat)] (cat = 1,2-O2C6H4; Cp* = η(5)-C5Me5).","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12828","12831","10.1039/c3dt51138c","","","0.71073","MoKα","","0.1759","0.0694","","","0.129","0.1827","","","","","","1.133","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021769","25.0167","0.0018","11.8155","0.0008","30.008","0.002","90","","103.293","0.001","90","","8632.3","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Dy F18 O10 P -","- C34 H26 Dy F18 O10 P -","- C272 H208 Dy8 F144 O80 P8 -","8","1","","Cao, Deng-Ke; Gu, Yan-Wei; Feng, Jia-Qi; Cai, Zhong-Sheng; Ward, Michael D.","Mononuclear lanthanide complexes incorporating an anthracene group: structural modification, slow magnetic relaxation and multicomponent fluorescence emissions in Dy compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11436","11444","10.1039/c3dt51176f","","","0.71073","MoKα","","0.0395","0.0337","","","0.1154","0.1237","","","","","","1.078","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021770","24.4266","0.0015","11.7278","0.0007","29.6653","0.0018","90","","104.843","0.001","90","","8214.7","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 F18 Gd O10 P -","- C34 H26 F18 Gd O10 P -","- C272 H208 F144 Gd8 O80 P8 -","8","1","","Cao, Deng-Ke; Gu, Yan-Wei; Feng, Jia-Qi; Cai, Zhong-Sheng; Ward, Michael D.","Mononuclear lanthanide complexes incorporating an anthracene group: structural modification, slow magnetic relaxation and multicomponent fluorescence emissions in Dy compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11436","11444","10.1039/c3dt51176f","","","0.71073","MoKα","","0.0426","0.0377","","","0.1061","0.1097","","","","","","1.04","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021771","12.8118","0.0006","39.565","0.002","26.3821","0.0011","90","","112.919","0.002","90","","12317.3","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 Dy F18 O12.5 P2 -","- C53 H46 Dy F18 O12.5 P2 -","- C424 H368 Dy8 F144 O100 P16 -","8","2","","Cao, Deng-Ke; Gu, Yan-Wei; Feng, Jia-Qi; Cai, Zhong-Sheng; Ward, Michael D.","Mononuclear lanthanide complexes incorporating an anthracene group: structural modification, slow magnetic relaxation and multicomponent fluorescence emissions in Dy compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11436","11444","10.1039/c3dt51176f","","","0.71073","MoKα","","0.1116","0.0581","","","0.1349","0.1586","","","","","","1.091","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021772","24.322","0.004","19.736","0.003","12.824","0.002","90","","95.6","0.003","90","","6126.4","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H47 F18 Gd O13 P2 -","- C53 H47 F18 Gd O13 P2 -","- C212 H188 F72 Gd4 O52 P8 -","4","0.5","","Cao, Deng-Ke; Gu, Yan-Wei; Feng, Jia-Qi; Cai, Zhong-Sheng; Ward, Michael D.","Mononuclear lanthanide complexes incorporating an anthracene group: structural modification, slow magnetic relaxation and multicomponent fluorescence emissions in Dy compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11436","11444","10.1039/c3dt51176f","","","0.71073","MoKα","","0.058","0.0525","","","0.1403","0.1418","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021773","6.3329","0.0009","8.5362","0.0011","12.685","0.002","108.636","0.013","101.777","0.013","94.022","0.011","629.3","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","NNBT","3-Nitro-5-(5-Nitrimino-1,2,4-triazol-3-yl)-1,2,4-1H-triazole","","- C4 H11 N9 O8 -","- C4 H11 N9 O8 -","- C8 H22 N18 O16 -","2","1","","Dippold, Alexander A.; Klapötke, Thomas M; Oswald, Michaela","Asymmetrically substituted 5,5'-bistriazoles - nitrogen-rich materials with various energetic functionalities.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11136","11145","10.1039/c3dt51205c","","","0.71073","MoKα","","0.0769","0.0541","","","0.1344","0.1537","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021774","7.479","0.0007","11.8671","0.0012","12.1234","0.0012","98.918","0.008","91.332","0.008","107.056","0.009","1013.55","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","AzNBT","5-(5-azido-1H-1,2,4-triazol-3-yl)-3-nitro-1H-1,2,4-triazole","","- C4 H6 N10 O4 -","- C4 H6 N10 O4 -","- C16 H24 N40 O16 -","4","2","","Dippold, Alexander A.; Klapötke, Thomas M; Oswald, Michaela","Asymmetrically substituted 5,5'-bistriazoles - nitrogen-rich materials with various energetic functionalities.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11136","11145","10.1039/c3dt51205c","","","0.71073","MoKα","","0.0935","0.0595","","","0.1357","0.1612","","","","","","1.05","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021775","11.6344","0.0005","11.0503","0.0005","15.0011","0.0014","90","","96.075","0.006","90","","1917.8","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Cl4 Hg2 N2 O4 -","- C12 H14 Cl4 Hg2 N2 O4 -","- C48 H56 Cl16 Hg8 N8 O16 -","4","0.5","","Mobin, Shaikh M.; Mishra, Veenu; Ram, Priti; Birla, Anil; Mathur, Pradeep","Formation of a 1D-polymeric chain of Hg building blocks through C-C coupling under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10687","10689","10.1039/c3dt51213d","","","0.71073","MoKα","","0.0527","0.0452","","","0.0989","0.1039","","","","","","1.046","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021776","7.2128","0.0004","7.3831","0.0004","9.467","0.0004","107.164","0.004","92.654","0.004","112.675","0.005","437.07","0.05","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl4 Hg2 N2 O2 -","- C12 H12 Cl4 Hg2 N2 O2 -","- C12 H12 Cl4 Hg2 N2 O2 -","1","0.5","","Mobin, Shaikh M.; Mishra, Veenu; Ram, Priti; Birla, Anil; Mathur, Pradeep","Formation of a 1D-polymeric chain of Hg building blocks through C-C coupling under ambient conditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10687","10689","10.1039/c3dt51213d","","","0.71073","MoKα","","0.0213","0.021","","","0.0545","0.0546","","","","","","1.091","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021777","17.8546","0.0011","17.8546","0.0011","19.9647","0.0012","90","","90","","120","","5511.8","0.6","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H153 Mn2 N3 Na2 O21 -","- C120 H153 Mn2 N3 Na2 O21 -","- C240 H306 Mn4 N6 Na4 O42 -","2","0.166667","","Barrios, Leoní A; Borilovic, Ivana; Salinas Uber, Jorge; Aguilà, David; Roubeau, Olivier; Aromí, Guillem","A new type of paddle-wheel coordination complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12185","12192","10.1039/c3dt51232k","","","0.7749","synchrotron","","0.077","0.0593","","","0.1536","0.1692","","","","","","1.037","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021778","17.7486","0.0004","17.7486","0.0004","19.9938","0.0004","90","","90","","120","","5454.5","0.2","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C120 H153 Co2 N3 Na2 O21 -","- C120 H153 Co2 N3 Na2 O21 -","- C240 H306 Co4 N6 Na4 O42 -","2","0.166667","","Barrios, Leoní A; Borilovic, Ivana; Salinas Uber, Jorge; Aguilà, David; Roubeau, Olivier; Aromí, Guillem","A new type of paddle-wheel coordination complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12185","12192","10.1039/c3dt51232k","","","0.71073","MoKα","","0.0871","0.069","","","0.1586","0.1738","","","","","","1.059","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021779","12.8319","0.0004","16.0697","0.0005","17.3854","0.0006","98.692","0.003","105.005","0.003","90.03","0.002","3420","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Tki(Me3(PriPh)3)Tl BArF, Compound 1","","","- C138 H124 B2 F48 N6 Tl2 -","- C138 H124 B2 F48 N6 Tl2 -","- C138 H124 B2 F48 N6 Tl2 -","1","0.5","","Cullinane, Jennifer; Jolleys, Andrew; Mair, Francis S.","Thallophilic interactions and Tl-aryl π-interactions are competitive with cation-cation repulsion: [LTl2L](2+) dications as salts of weakly co-ordinating anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11971","11975","10.1039/c3dt51233a","","x-ray","0.71073","MoKα","","0.0533","0.0347","","","0.0596","0.0617","","","","","","0.882","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021780","14.8168","0.0004","16.3174","0.0007","16.4832","0.0006","73.129","0.004","79.39","0.003","63.442","0.003","3404.4","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H61 B F24 N3 Tl -","- C69 H61 B F24 N3 Tl -","- C138 H122 B2 F48 N6 Tl2 -","2","1","","Cullinane, Jennifer; Jolleys, Andrew; Mair, Francis S.","Thallophilic interactions and Tl-aryl π-interactions are competitive with cation-cation repulsion: [LTl2L](2+) dications as salts of weakly co-ordinating anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11971","11975","10.1039/c3dt51233a","","","0.71073","MoKα","","0.0569","0.0347","","","0.0621","0.0649","","","","","","0.899","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021781","9.1719","0.0003","11.1215","0.0002","14.2096","0.0004","110.883","0.002","108.675","0.001","91.334","0.002","1267.38","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","1a","","","- C22 H30 Cl3 N O2 Pt S -","- C22 H30 Cl3 N O2 Pt S -","- C44 H60 Cl6 N2 O4 Pt2 S2 -","2","1","","Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Moss, John R.; Mapolie, Selwyn F.","Synthesis, structural characterization and cis-trans isomerization of novel (salicylaldiminato)platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11163","11179","10.1039/c3dt51283e","","","0.71073","MoKα","","0.0337","0.0239","","","0.0411","0.0437","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021782","16.4013","0.0018","19.269","0.002","14.4597","0.0016","90","","91.062","0.002","90","","4569","0.9","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1b","","","- C21 H28 Cl N O2 Pt S -","- C21 H28 Cl N O2 Pt S -","- C168 H224 Cl8 N8 O16 Pt8 S8 -","8","2","","Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Moss, John R.; Mapolie, Selwyn F.","Synthesis, structural characterization and cis-trans isomerization of novel (salicylaldiminato)platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11163","11179","10.1039/c3dt51283e","","","0.71073","MoKα","","0.0397","0.0247","","","0.046","0.0504","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021783","8.8183","0.0002","10.1831","0.0002","10.463","0.0002","111.926","0.001","93.098","0.001","111.16","0.001","793.23","0.03","173","2","173","2","","","","","","","","7","P -1","-P 1","2","2","","","- C15 H16 Cl N O2 Pt S -","- C15 H16 Cl N O2 Pt S -","- C30 H32 Cl2 N2 O4 Pt2 S2 -","2","1","","Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Moss, John R.; Mapolie, Selwyn F.","Synthesis, structural characterization and cis-trans isomerization of novel (salicylaldiminato)platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11163","11179","10.1039/c3dt51283e","","","0.71073","MoKα","","0.0162","0.0144","","","0.0325","0.033","","","","","","1.09","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021784","10.3272","0.0009","18.7983","0.0017","20.8684","0.0018","90","","100.185","0.002","90","","3987.4","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","3a","","","- C39 H41 Cl5 N O P Pt -","- C39 H41 Cl5 N O P Pt -","- C156 H164 Cl20 N4 O4 P4 Pt4 -","4","1","","Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Moss, John R.; Mapolie, Selwyn F.","Synthesis, structural characterization and cis-trans isomerization of novel (salicylaldiminato)platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11163","11179","10.1039/c3dt51283e","","","0.71073","MoKα","","0.0294","0.0264","","","0.0654","0.0681","","","","","","1.019","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021785","35.498","0.004","10.2831","0.0011","23.873","0.003","90","","130.634","0.002","90","","6613.2","1.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","3b","","","- C37 H37 Cl N O P Pt -","- C37 H37 Cl N O P Pt -","- C296 H296 Cl8 N8 O8 P8 Pt8 -","8","1","","Zheng, Feng; Hutton, Alan T.; van Sittert, Cornelia G. C. E.; Moss, John R.; Mapolie, Selwyn F.","Synthesis, structural characterization and cis-trans isomerization of novel (salicylaldiminato)platinum(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11163","11179","10.1039/c3dt51283e","","","0.71073","MoKα","","0.029","0.0191","","","0.0406","0.0444","","","","","","1.026","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021786","10.2651","0.001","10.932","0.001","16.217","0.002","100.384","0.006","97.985","0.006","116.385","0.004","1553.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Complex_1","","","- C31 H30 B Cu N5 P S3 -","- C31 H30 B Cu N5 P S3 -","- C62 H60 B2 Cu2 N10 P2 S6 -","2","1","","Owen, Gareth R.; Gould, P. Hugh; Moore, Alexandra; Dyson, Gavin; Haddow, Mairi F.; Hamilton, Alex","Copper and silver complexes bearing flexible hybrid scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11074","11081","10.1039/c3dt51286j","","","0.71073","MoKα","","0.0404","0.0312","","","0.0698","0.0741","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021787","9.0652","0.0006","10.9331","0.0008","19.0309","0.0013","88.923","0.004","83.139","0.004","87.565","0.004","1870.8","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Complex_2","","","- C32 H50 B Cl2 Cu N5 P S3 -","- C32 H50 B Cl2 Cu N5 P S3 -","- C64 H100 B2 Cl4 Cu2 N10 P2 S6 -","2","1","","Owen, Gareth R.; Gould, P. Hugh; Moore, Alexandra; Dyson, Gavin; Haddow, Mairi F.; Hamilton, Alex","Copper and silver complexes bearing flexible hybrid scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11074","11081","10.1039/c3dt51286j","","","1.54178","CuKα","","0.0868","0.0491","","","0.1397","0.1476","","","","","","1.064","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021788","9.0925","0.0008","10.9126","0.0009","19.3386","0.0016","82.032","0.004","86.456","0.004","89.467","0.004","1896.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Complex_4","","","- C32 H50 Ag B Cl2 N5 P S3 -","- C32 H50 Ag B Cl2 N5 P S3 -","- C64 H100 Ag2 B2 Cl4 N10 P2 S6 -","2","1","","Owen, Gareth R.; Gould, P. Hugh; Moore, Alexandra; Dyson, Gavin; Haddow, Mairi F.; Hamilton, Alex","Copper and silver complexes bearing flexible hybrid scorpionate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11074","11081","10.1039/c3dt51286j","","","0.71073","MoKα","","0.0434","0.039","","","0.0896","0.0916","","","","","","1.172","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021789","14.7323","0.001","8.1094","0.0005","13.5844","0.0008","90","","90","","90","","1622.93","0.18","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H19 N3 O4 Zn -","- C15 H19 N3 O4 Zn -","- C60 H76 N12 O16 Zn4 -","4","1","","Ojwach, Stephen O.; Okemwa, Teddy T.; Attandoh, Nelson W.; Omondi, Bernard","Structural and kinetic studies of the polymerization reactions of ε-caprolactone catalyzed by (pyrazol-1-ylmethyl)pyridine Cu(ii) and Zn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10735","10745","10.1039/c3dt51338f","","","0.71073","MoKα","","0.03","0.0253","","","0.0574","0.0593","","","","","","1.029","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021790","9.6202","0.0003","10.6016","0.0003","11.7735","0.0003","72.88","0.001","75.393","0.001","78.193","0.001","1099.39","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 Cu2 N6 O8 -","- C50 H46 Cu2 N6 O8 -","- C50 H46 Cu2 N6 O8 -","1","0.5","","Ojwach, Stephen O.; Okemwa, Teddy T.; Attandoh, Nelson W.; Omondi, Bernard","Structural and kinetic studies of the polymerization reactions of ε-caprolactone catalyzed by (pyrazol-1-ylmethyl)pyridine Cu(ii) and Zn(ii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10735","10745","10.1039/c3dt51338f","","","0.71073","MoKα","","0.026","0.0243","","","0.0667","0.0683","","","","","","1.03","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021791","10.6732","0.0005","13.5845","0.0006","14.7036","0.0007","96.96","0.001","107.775","0.001","103.619","0.001","1929.62","0.16","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H35 Cu F6 N5 O4 P -","- C43 H35 Cu F6 N5 O4 P -","- C86 H70 Cu2 F12 N10 O8 P2 -","2","1","","Saha, Manik Lal; Mahata, Kingsuk; Samanta, Debabrata; Kalsani, Venkateshwarlu; Fan, Jian; Bats, Jan W.; Schmittel, Michael","A phenanthroline-terpyridine hybrid as a chameleon-type ligand in a reversible metallosupramolecular rearrangement.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12840","12843","10.1039/c3dt51351c","","","0.71073","MoKα","","0.044","0.0359","","","0.0844","0.0884","","","","","","1.066","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021792","24.1554","0.0012","14.3528","0.0007","21.3467","0.0009","90","","90","","90","","7400.9","0.6","153","2","153","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C80 H68 Cu2 F12 N8 O10 P2 -","- C80 H64 Cu2 F12 N8 O10 P2 -","- C320 H256 Cu8 F48 N32 O40 P8 -","4","","","Saha, Manik Lal; Mahata, Kingsuk; Samanta, Debabrata; Kalsani, Venkateshwarlu; Fan, Jian; Bats, Jan W.; Schmittel, Michael","A phenanthroline-terpyridine hybrid as a chameleon-type ligand in a reversible metallosupramolecular rearrangement.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12840","12843","10.1039/c3dt51351c","","","0.71073","MoKα","","0.0857","0.0591","","","0.1635","0.177","","","","","","1.047","","","","has coordinates,has disorder","179922","2020-10-21","18:00:00",""
"7021793","36.54","0.007","12.33","0.003","25.68","0.006","90","","92.29","0.003","90","","11561","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H80 Cl Mn2 N4 O12 -","- C58 H80 Cl Mn2 N4 O12 -","- C464 H640 Cl8 Mn16 N32 O96 -","8","1","","Hirotsu, Masakazu; Kawamoto, Keisuke; Tanaka, Rika; Nagai, Yuji; Ueno, Keiji; Teki, Yoshio; Kinoshita, Isamu","Titanium and manganese complexes supported by a xanthene-bridged bis(tripodal N2O2) ligand: isomerization, intramolecular hydrogen bonding and metal-binding ability.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12220","12227","10.1039/c3dt51389k","","","0.7107","MoKα","","0.0997","0.0835","","","0.1515","0.1579","","","","","","1.23","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021794","28.354","0.012","28.354","0.012","14.616","0.006","90","","90","","120","","10176","7","133","2","133","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C59 H73 Cl Mn3 N4 O12.5 -","- C58 H70 Mn3 N4 O12 -","- C348 H420 Mn18 N24 O72 -","6","1","","Hirotsu, Masakazu; Kawamoto, Keisuke; Tanaka, Rika; Nagai, Yuji; Ueno, Keiji; Teki, Yoshio; Kinoshita, Isamu","Titanium and manganese complexes supported by a xanthene-bridged bis(tripodal N2O2) ligand: isomerization, intramolecular hydrogen bonding and metal-binding ability.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12220","12227","10.1039/c3dt51389k","","","0.710747","MoKα","","0.0796","0.0725","","","0.1924","0.1992","","","","","","1.208","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021795","16.3925","0.0004","20.3627","0.0004","20.4063","0.0004","100.621","0.001","111.949","0.001","106.731","0.001","5714.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C136.5 H122.5 B2 Co N9.5 O5.5 -","- C136.5 H118.5 B2 Co N9.5 O5.5 -","- C273 H237 B4 Co2 N19 O11 -","2","1","","Lee, Young Hoon; Won, Mi Seon; Harrowfield, Jack M.; Kawata, Satoshi; Hayami, Shinya; Kim, Yang","Spin crossover in Co(ii) metallorods - replacing aliphatic tails by aromatic.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11507","11521","10.1039/c3dt51396c","","","0.71073","MoKα","","0.0981","0.0741","","","0.2259","0.2511","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021796","21.718","0.0009","11.5541","0.0005","22.0227","0.0009","90","","102.579","0.0011","90","","5393.6","0.4","293","2","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C67 H50 B2 Co F8 N6 O -","- C67 H50 B2 Co F8 N6 O -","- C268 H200 B8 Co4 F32 N24 O4 -","4","1","","Lee, Young Hoon; Won, Mi Seon; Harrowfield, Jack M.; Kawata, Satoshi; Hayami, Shinya; Kim, Yang","Spin crossover in Co(ii) metallorods - replacing aliphatic tails by aromatic.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11507","11521","10.1039/c3dt51396c","","","0.71075","MoKα","","","0.0811","","","","0.2161","","","","","","1.025","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021797","44.4487","0.0009","44.4487","0.0009","44.4487","0.0009","90","","90","","90","","87817","3","100","2","100","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C252 H258 Au12 O86 P14 W24 -","- C252 H252 Au12 O86 P14 W24 -","- C2016 H2016 Au96 O688 P112 W192 -","8","0.0833333","","Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji","Two types of tetranuclear phosphanegold(i) cations as dimers of dinuclear units, [{(Au{P(p-RPh)3})2(μ-OH)}2](2+) (R = Me, F), synthesized by polyoxometalate-mediated clusterization.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11418","11425","10.1039/c3dt51412a","","","0.71073","MoKα","","0.114","0.0921","","","0.2235","0.2367","","","","","","1.159","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021798","44.1632","0.0009","44.1632","0.0009","44.1632","0.0009","90","","90","","90","","86135","3","100","","100","","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C252 H258 Au12 Mo24 O86 P14 -","- C252 H252 Au12 Mo24 O86 P14 -","- C2016 H2016 Au96 Mo192 O688 P112 -","8","0.0833333","","Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji","Two types of tetranuclear phosphanegold(i) cations as dimers of dinuclear units, [{(Au{P(p-RPh)3})2(μ-OH)}2](2+) (R = Me, F), synthesized by polyoxometalate-mediated clusterization.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11418","11425","10.1039/c3dt51412a","","","0.71073","MoKα","","0.1252","0.0638","","","0.1774","0.235","","","","","","1.099","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021799","17.285","0.0014","22.6003","0.0019","22.684","0.0018","75.933","0.002","80.236","0.002","78.267","0.002","8348.4","1.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C224 H174 Au12 F36 Mo24 O90 P14 -","- C224 H168 Au12 F36 Mo24 O90 P14 -","- C224 H168 Au12 F36 Mo24 O90 P14 -","1","0.5","","Yoshida, Takuya; Matsunaga, Satoshi; Nomiya, Kenji","Two types of tetranuclear phosphanegold(i) cations as dimers of dinuclear units, [{(Au{P(p-RPh)3})2(μ-OH)}2](2+) (R = Me, F), synthesized by polyoxometalate-mediated clusterization.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11418","11425","10.1039/c3dt51412a","","","0.71073","MoKα","","0.0877","0.0544","","","0.144","0.1638","","","","","","1.044","","","","has coordinates","179922","2020-10-21","18:00:00",""
"7021800","9.501","0.0019","9.6299","0.0019","12.795","0.003","95.85","0.03","91.86","0.03","111.73","0.03","1078.7","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 N2 O7 Zn -","- C17 H14 N2 O7 Zn -","- C34 H28 N4 O14 Zn2 -","2","1","","Wang, Guan-Yao; Yang, Le-Le; Li, Yue; Song, Han; Ruan, Wen-Juan; Chang, Ze; Bu, Xian-He","A luminescent 2D coordination polymer for selective sensing of nitrobenzene.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12865","12868","10.1039/c3dt51450a","","","0.71073","MoKα","","0.0631","0.047","","","0.1143","0.1235","","","","","","1.101","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021801","8.2461","0.0011","28.04","0.004","8.1257","0.0011","90","","98.276","0.003","90","","1859.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Ag4 O8 P2 -","- C12 H10 Ag4 O8 P2 -","- C48 H40 Ag16 O32 P8 -","4","1","","Xie, Yun-Peng; Mak, Thomas C. W.","New synthesis of silver phosphonate complexes from polymeric silver phenylethynide as a structure-directing precursor.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12869","12872","10.1039/c3dt51461g","","","0.71073","MoKα","","0.0427","0.0267","","","0.0796","0.0969","","","","","","1.152","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021802","12.2047","0.0007","11.1686","0.0007","14.7082","0.0009","90","","108.082","0.001","90","","1905.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Ag N4 O3 P -","- C16 H22 Ag N4 O3 P -","- C64 H88 Ag4 N16 O12 P4 -","4","1","","Xie, Yun-Peng; Mak, Thomas C. W.","New synthesis of silver phosphonate complexes from polymeric silver phenylethynide as a structure-directing precursor.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12869","12872","10.1039/c3dt51461g","","","0.71073","MoKα","","0.0384","0.028","","","0.0715","0.0772","","","","","","1.026","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021803","16.358","0.002","37.807","0.004","22.401","0.003","90","","109.382","0.002","90","","13069","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C114.75 H127.34 Ag8 Cl3.25 N0.75 O29.25 P10 -","- C114.672 H98 Ag8 Cl3.328 N0.672 O29.328 P10 -","- C458.688 H392 Ag32 Cl13.312 N2.688 O117.312 P40 -","4","1","","Xie, Yun-Peng; Mak, Thomas C. W.","New synthesis of silver phosphonate complexes from polymeric silver phenylethynide as a structure-directing precursor.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12869","12872","10.1039/c3dt51461g","","","0.71073","MoKα","","0.0838","0.0748","","","0.1616","0.1665","","","","","","1.269","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021804","6.0537","0.0009","11.2351","0.0016","12.7177","0.0018","80.978","0.003","88.194","0.002","85.894","0.002","851.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Ag2 N O5 P2 -","- C14 H13 Ag2 N O5 P2 -","- C28 H26 Ag4 N2 O10 P4 -","2","1","","Xie, Yun-Peng; Mak, Thomas C. W.","New synthesis of silver phosphonate complexes from polymeric silver phenylethynide as a structure-directing precursor.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12869","12872","10.1039/c3dt51461g","","","0.71073","MoKα","","0.0455","0.0303","","","0.0663","0.0733","","","","","","1.017","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021805","8.2726","0.001","8.5344","0.0011","14.4033","0.0018","72.14","0.002","84.768","0.003","72.251","0.002","921.8","0.2","243","2","243","2","","","","","","","Synthetic","6","P -1","-P 1","2","","","","- C18 H17 Cl2 Fe N4 O -","- C18 H17 Cl2 Fe N4 O -","- C36 H34 Cl4 Fe2 N8 O2 -","2","1","","Hitomi, Yutaka; Hiramatsu, Kazuaki; Arakawa, Kengo; Takeyasu, Toshiyuki; Hata, Masashi; Kodera, Masahito","An iron(iii) tetradentate monoamido complex as a nonheme iron-based peroxidase mimetic.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12878","12882","10.1039/c3dt51483h","","","0.71075","MoKα","","0.085","0.0497","","","0.0874","0.0982","","","","","","1.044","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021806","13.0388","0.0007","22.772","0.001","16.4868","0.0011","90","","102.872","0.006","90","","4772.2","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H102 Cl2 Mn6 N18 O28 -","- C84 H102 Cl2 Mn6 N18 O28 -","- C168 H204 Cl4 Mn12 N36 O56 -","2","0.5","","Martínez-Lillo, José; Dolan, Neil; Brechin, Euan K.","A cationic and ferromagnetic hexametallic Mn(iii) single-molecule magnet based on the salicylamidoxime ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12824","12827","10.1039/c3dt51512e","","","0.71073","MoKα","","0.1186","0.0812","","","0.207","0.2328","","","","","","1.043","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021807","13.1501","0.0004","16.3707","0.0007","17.9886","0.0008","66.598","0.004","89.26","0.003","85.463","0.003","3542.1","0.3","123","0.1","123","0.1","","","","","","","synthesis as described","9","P -1","-P 1","2","","","","- C67 H61 B F24 Mo2 N O2 P S -","- C67 H61 B F24 Mo2 N O2 P S -","- C134 H122 B2 F48 Mo4 N2 O4 P2 S2 -","2","1","","Alvarez, M. Angeles; Alvarez, Belén; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Stepwise hydrogenation of an arylthiophosphinidene isocyanide complex to give tethered aldimine and aminocarbene functions.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11039","11042","10.1039/c3dt51562a","","x-ray","1.54184","CuKα","","0.0875","0.0744","","","0.2041","0.2171","","","","","","1.108","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021808","10.3916","0.0003","17.0023","0.0004","20.9094","0.0007","90","","109.387","0.003","90","","3484.82","0.19","108","8","108","8","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 Mo2 N O2 P S -","- C35 H50 Mo2 N O2 P S -","- C140 H200 Mo8 N4 O8 P4 S4 -","4","1","","Alvarez, M. Angeles; Alvarez, Belén; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Stepwise hydrogenation of an arylthiophosphinidene isocyanide complex to give tethered aldimine and aminocarbene functions.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11039","11042","10.1039/c3dt51562a","","x-ray","1.54184","CuKα","","0.0458","0.0329","","","0.0727","0.0783","","","","","","0.994","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021809","10.3398","0.0005","11.3848","0.0007","17.6131","0.001","86.314","0.005","80.496","0.004","84.132","0.004","2031.8","0.2","123","0.1","123","0.1","","","","","","","synthesis as described","8","P -1","-P 1","2","","","","- C36 H52 Cl2 Mo2 N O2 P S -","- C36 H52 Cl2 Mo2 N O2 P S -","- C72 H104 Cl4 Mo4 N2 O4 P2 S2 -","2","1","","Alvarez, M. Angeles; Alvarez, Belén; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Stepwise hydrogenation of an arylthiophosphinidene isocyanide complex to give tethered aldimine and aminocarbene functions.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11039","11042","10.1039/c3dt51562a","","x-ray","1.54184","CuKα","","0.0809","0.0638","","","0.182","0.1979","","","","","","1.062","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021810","22.4122","0.0004","22.547","0.0004","22.8436","0.0004","90","","90","","90","","11543.5","0.4","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57.5 H72.75 Br3.75 Ir N7 Rh2 -","- C57.5 H72.75 Br3.75 Ir0.99 N7 Rh2.01 -","- C460 H582 Br30 Ir7.92 N56 Rh16.08 -","8","1","","Maity, Ramananda; Schulte To Brinke, Christian; Hahn, F. Ekkehardt","Heterotrimetallic complexes of a phenylene-bridged tricarbene ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12857","12860","10.1039/c3dt51572a","","","0.71073","MoKα","","0.0313","0.0238","","","0.0658","0.0675","","","","","","1.038","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021811","11.3939","0.0002","15.2128","0.0003","15.9193","0.0003","70.789","0.001","73.33","0.001","87.13","0.001","2493.18","0.08","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H55 Au Br3 N7 Rh2 -","- C43 H37 Au Br3 N7 Rh2 -","- C86 H74 Au2 Br6 N14 Rh4 -","2","1","","Maity, Ramananda; Schulte To Brinke, Christian; Hahn, F. Ekkehardt","Heterotrimetallic complexes of a phenylene-bridged tricarbene ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12857","12860","10.1039/c3dt51572a","","","0.71073","MoKα","","0.0573","0.0409","","","0.1097","0.1179","","","","","","1.022","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021812","15.2374","0.0013","14.6371","0.0012","21.6658","0.0018","90","","90","","90","","4832.2","0.7","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H31 N3 O3 -","- C29 H31 N3 O3 -","- C232 H248 N24 O24 -","8","1","","Goswami, Shyamaprosad; Manna, Abhishek; Maity, Anup Kumar; Paul, Sima; Das, Avijit Kumar; Das, Manas Kumar; Saha, Partha; Quah, Ching Kheng; Fun, Hoong-Kun","Selective detection and bio-imaging of Pd(2+) with novel 'C-CN' bond cleavage of cyano-rhodamine, cyanation with diaminomaleonitrile.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12844","12848","10.1039/c3dt51591e","","","0.71073","MoKα","","0.0575","0.0425","","","0.1056","0.1158","","","","","","1.042","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021813","13.4344","0.0004","16.2486","0.0005","16.35","0.0005","73.8487","0.0016","88.5368","0.0015","87.5505","0.0011","3424.7","0.18","150","","150","","","","","","","","Lab S10","8","P -1","-P 1","2","","[Rh(dibpe)Br(C6H5)]2[BArF4]2","","- C57.13 H59.27 B Br Cl2.27 F24 P2 Rh -","- C57.135 H59.27 B Br Cl2.27 F24 P2 Rh -","- C114.27 H118.54 B2 Br2 Cl4.54 F48 P4 Rh2 -","2","1","","Pike, Sebastian D.; Weller, Andrew S.","C-Cl activation of the weakly coordinating anion [B(3,5-Cl2C6H3)4](-) at a Rh(i) centre in solution and the solid-state.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12832","12835","10.1039/c3dt51617b","","","0.71073","MoKα","","0.0826","0.0606","","0.1498","0.1369","0.1498","","","","","","0.9485","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021814","12.0494","0.0003","12.4222","0.0003","17.4694","0.0004","88.3937","0.0009","89.8872","0.0009","86.3926","0.0009","2608.61","0.11","150","","150","","","","","","","","CRL, University of Oxford","6","P -1","-P 1","2","","[RhdibpeNBD][BArCl4]","","- C49 H60 B Cl8 P2 Rh -","- C49 H60 B Cl8 P2 Rh -","- C98 H120 B2 Cl16 P4 Rh2 -","2","1","","Pike, Sebastian D.; Weller, Andrew S.","C-Cl activation of the weakly coordinating anion [B(3,5-Cl2C6H3)4](-) at a Rh(i) centre in solution and the solid-state.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12832","12835","10.1039/c3dt51617b","","","0.71073","MoKα","","0.087","0.0628","","0.1563","0.1454","0.1563","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021815","12.6148","0.0003","12.7474","0.0003","16.1361","0.0003","101.97","0.0018","102.999","0.0019","106.98","0.002","2311.91","0.1","150","","150","2","","","","","","","Lab S10","6","P -1","-P 1","2","","Rh(dibpe)h6-BArCl4","","- C42 H52 B Cl8 P2 Rh -","- C42 H52 B Cl8 P2 Rh -","- C84 H104 B2 Cl16 P4 Rh2 -","2","1","","Pike, Sebastian D.; Weller, Andrew S.","C-Cl activation of the weakly coordinating anion [B(3,5-Cl2C6H3)4](-) at a Rh(i) centre in solution and the solid-state.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12832","12835","10.1039/c3dt51617b","","","1.5418","CuKα","","0.0395","0.0386","","0.105","0.1039","0.105","","","","","","1.0037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021816","13.2301","0.0003","17.4742","0.0005","23.2939","0.0005","78.048","0.002","88.4952","0.0019","77.569","0.002","5144","0.2","150","","150","","","","","","","","CRL, Universtity of Oxford","6","P -1","-P 1","2","","[Rh(dibpe)Cl{C6ClH3(B(ArCl)3)}]2","","- C87.1 H110.2 B2 Cl22.2 P4 Rh2 -","- C87.1028 H110.206 B2 Cl22.2056 P4 Rh2 -","- C174.206 H220.411 B4 Cl44.4112 P8 Rh4 -","2","1","","Pike, Sebastian D.; Weller, Andrew S.","C-Cl activation of the weakly coordinating anion [B(3,5-Cl2C6H3)4](-) at a Rh(i) centre in solution and the solid-state.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12832","12835","10.1039/c3dt51617b","","","1.5418","CuKα","","0.0585","0.0524","","0.1381","0.1351","0.1381","","","","","","0.9822","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021817","9.8702","0.0004","18.153","0.0008","11.2583","0.0004","90","","115.56","0.001","90","","1819.78","0.13","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 B F4 N4 Ni -","- C18 H21 B F4 N4 Ni -","- C72 H84 B4 F16 N16 Ni4 -","4","1","","Wilson, Rajni K.; Brooker, Sally","Oxidative dehydrogenation of a new tetra-amine N4-donor macrocycle tunes the nickel(ii) spin state from high spin to low spin.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12075","12078","10.1039/c3dt51776d","","","0.71073","MoKα","","0.0363","0.0322","","","0.0741","0.0772","","","","","","1.043","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021818","13.7811","0.0009","20.5066","0.0014","9.1197","0.0005","90","","106.797","0.002","90","","2467.3","0.3","91","2","91","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20.45 H25.2 Cl0.6 N6 Ni O0.3 S2 -","- C20.45 H25.2 Cl0.6 N6 Ni O0.3 S2 -","- C81.8 H100.8 Cl2.4 N24 Ni4 O1.2 S8 -","4","1","","Wilson, Rajni K.; Brooker, Sally","Oxidative dehydrogenation of a new tetra-amine N4-donor macrocycle tunes the nickel(ii) spin state from high spin to low spin.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12075","12078","10.1039/c3dt51776d","","","0.71073","MoKα","","0.0651","0.0494","","","0.1463","0.1579","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021819","6.8708","0.0009","9.2157","0.0012","18.433","0.002","90","","90","","90","","1167.2","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","in manuscript tBu-1a/tBu-1b (SI)","","","- C8 H14 Cl I N2 -","- C8 H14 Cl0.8589 I1.1411 N2 -","- C32 H56 Cl3.4356 I4.5644 N8 -","4","1","","Brill, Marcel; Kühnel, Erik; Scriban, Corina; Rominger, Frank; Hofmann, Peter","A short and modular synthesis of bulky and electron-rich N-phosphinomethyl-functionalised N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12861","12864","10.1039/c3dt51777b","","","0.71073","MoKα","","0.0274","0.0261","","","0.0623","0.0629","","","","","","1.071","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021820","11.6035","0.001","10.4123","0.0009","19.172","0.0016","90","","103.567","0.002","90","","2251.7","0.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","in manuscript tBu-4","","","- C32 H62 Ag4 I4 N4 P2 -","- C32 H62 Ag4 I4 N4 P2 -","- C64 H124 Ag8 I8 N8 P4 -","2","0.5","","Brill, Marcel; Kühnel, Erik; Scriban, Corina; Rominger, Frank; Hofmann, Peter","A short and modular synthesis of bulky and electron-rich N-phosphinomethyl-functionalised N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12861","12864","10.1039/c3dt51777b","","","0.71073","MoKα","","0.0778","0.0486","","","0.1221","0.1371","","","","","","1.043","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021821","11.8866","0.001","12.0415","0.0009","19.0193","0.0016","90","","103.38","0.002","90","","2648.4","0.4","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","in manuscript Mes-5","","","- C24 H38 B F4 N2 P Pd -","- C24 H38 B F4 N2 P Pd -","- C96 H152 B4 F16 N8 P4 Pd4 -","4","1","","Brill, Marcel; Kühnel, Erik; Scriban, Corina; Rominger, Frank; Hofmann, Peter","A short and modular synthesis of bulky and electron-rich N-phosphinomethyl-functionalised N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12861","12864","10.1039/c3dt51777b","","","0.71073","MoKα","","0.0658","0.0411","","","0.0754","0.0837","","","","","","1.026","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021822","9.663","0.0011","20.616","0.002","12.8353","0.0015","90","","110.823","0.002","90","","2389.9","0.5","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","in manuscript tBu-5","","","- C19 H36 B F4 N2 P Pd -","- C19 H36 B F4 N2 P Pd -","- C76 H144 B4 F16 N8 P4 Pd4 -","4","1","","Brill, Marcel; Kühnel, Erik; Scriban, Corina; Rominger, Frank; Hofmann, Peter","A short and modular synthesis of bulky and electron-rich N-phosphinomethyl-functionalised N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12861","12864","10.1039/c3dt51777b","","","0.71073","MoKα","","0.0834","0.0517","","","0.0903","0.1029","","","","","","1.047","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021823","9.7387","0.0009","11.1342","0.001","13.2867","0.0016","65.277","0.002","77.942","0.002","85.113","0.002","1279.8","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","in manuscript 16a","","","- C46 H76 Ag2 I2 N4 O P2 -","- C46 H76 Ag2 I2 N4 O P2 -","- C46 H76 Ag2 I2 N4 O P2 -","1","0.5","","Brill, Marcel; Kühnel, Erik; Scriban, Corina; Rominger, Frank; Hofmann, Peter","A short and modular synthesis of bulky and electron-rich N-phosphinomethyl-functionalised N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12861","12864","10.1039/c3dt51777b","","","0.71073","MoKα","","0.0326","0.0273","","","0.0717","0.0735","","","","","","1.032","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021824","9.118","0.002","15.223","0.004","12.154","0.003","90","","109.432","0.005","90","","1590.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H22 Cl2 Dy N O9 -","- C7 H22 Cl2 Dy N O9 -","- C28 H88 Cl8 Dy4 N4 O36 -","4","1","","Meng, Yan; Liu, Jun-Liang; Zhang, Ze-Min; Lin, Wei-Quan; Lin, Zhuo-Jia; Tong, Ming-Liang","Ionothermal synthesis of two oxalate-bridged lanthanide(iii) chains with slow magnetization relaxation by using a deep eutectic solvent.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12853","12856","10.1039/c3dt51816g","","","0.71073","MoKα","","0.0598","0.0423","","","0.1005","0.1117","","","","","","1.037","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021825","9.0957","0.0002","15.1667","0.0003","12.0825","0.0003","90","","109.627","0.002","90","","1569.96","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H22 Cl2 Er N O9 -","- C7 H22 Cl2 Er N O9 -","- C28 H88 Cl8 Er4 N4 O36 -","4","1","","Meng, Yan; Liu, Jun-Liang; Zhang, Ze-Min; Lin, Wei-Quan; Lin, Zhuo-Jia; Tong, Ming-Liang","Ionothermal synthesis of two oxalate-bridged lanthanide(iii) chains with slow magnetization relaxation by using a deep eutectic solvent.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12853","12856","10.1039/c3dt51816g","","","1.54178","CuKα","","0.0316","0.0284","","","0.0729","0.0769","","","","","","0.791","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021826","9.4289","0.0001","10.1614","0.0001","12.1495","0.0002","90","","105.318","0.0006","90","","1122.7","0.02","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Br Fe -","- C14 H11 Br Fe -","- C56 H44 Br4 Fe4 -","4","1","","Tirfoin, Remi; Aldridge, Simon","A molecular 'traffic light': highly selective cyanide sensing in aqueous media by a CpFe(indenyl)-functionalized borane.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12836","12839","10.1039/c3dt51894a","","","0.71073","MoKα","","0.0425","0.0333","","0.0756","0.0715","0.0756","","","","","","0.9918","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021827","12.18666","0.00005","14.6236","0.00006","14.43211","0.00006","90","","91.0308","0.0004","90","","2571.57","0.018","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 B Fe -","- C32 H33 B Fe -","- C128 H132 B4 Fe4 -","4","1","","Tirfoin, Remi; Aldridge, Simon","A molecular 'traffic light': highly selective cyanide sensing in aqueous media by a CpFe(indenyl)-functionalized borane.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12836","12839","10.1039/c3dt51894a","","","1.54184","CuKα","","0.0475","0.046","","0.0897","0.0892","0.0897","","","","","","0.9278","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021828","11.8009","0.0001","12.7025","0.0001","14.5226","0.0002","76.3891","0.0005","84.0128","0.0005","82.2242","0.0006","2090.42","0.04","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H57 B Fe K N O6 -","- C45 H57 B Fe K N O6 -","- C90 H114 B2 Fe2 K2 N2 O12 -","2","1","","Tirfoin, Remi; Aldridge, Simon","A molecular 'traffic light': highly selective cyanide sensing in aqueous media by a CpFe(indenyl)-functionalized borane.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12836","12839","10.1039/c3dt51894a","","","0.71073","MoKα","","0.0465","0.0375","","0.0923","0.0853","0.0923","","","","","","0.9115","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021829","7.5532","0.0005","9.1933","0.0006","8.2722","0.0005","90","","100.225","0.001","90","","565.29","0.06","100","1","100","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C8 H18 N2 Ni O6 -","- C8 H18 N2 Ni O6 -","- C16 H36 N4 Ni2 O12 -","2","1","","Trifunović, Srećko R; Miletić, Vesna D; Jevtić, Verica V; Meetsma, Auke; Matović, Zoran D","Nickel(ii) in chelate N2O2 environment. DFT approach and in-depth molecular orbital and configurational analysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13357","13368","10.1039/c3dt51099a","","","0.71073","MoKα","","0.0278","0.027","","","0.0685","0.0689","","","","","","1.055","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021830","15.4707","0.0006","19.5166","0.0008","17.8732","0.0008","90","","91.072","0.001","90","","5395.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 Cl4 Gd2 N4 O9 -","- C52 H47 Cl4 Gd2 N4 O9 -","- C208 H188 Cl16 Gd8 N16 O36 -","4","1","","Sun, Wen-Bin; Han, Bing-Lu; Lin, Po-Heng; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Murugesu, Muralee; Yan, Peng-Fei","Series of dinuclear and tetranuclear lanthanide clusters encapsulated by salen-type and β-diketionate ligands: single-molecule magnet and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13397","13403","10.1039/c3dt51227d","","","0.71073","MoKα","","0.0729","0.0352","","","0.0746","0.091","","","","","","1.004","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021831","12.9763","0.0005","19.4129","0.0007","19.328","0.0007","90","","106.246","0.001","90","","4674.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 N4 O9 Tb2 -","- C50 H44 N4 O9 Tb2 -","- C200 H176 N16 O36 Tb8 -","4","1","","Sun, Wen-Bin; Han, Bing-Lu; Lin, Po-Heng; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Murugesu, Muralee; Yan, Peng-Fei","Series of dinuclear and tetranuclear lanthanide clusters encapsulated by salen-type and β-diketionate ligands: single-molecule magnet and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13397","13403","10.1039/c3dt51227d","","","0.71073","MoKα","","0.0624","0.0344","","","0.0659","0.0766","","","","","","0.969","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021832","16.0195","0.0015","19.6394","0.0018","16.227","0.0015","90","","90.722","0.002","90","","5104.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H53 Er2 N4 O10 -","- C54 H53 Er2 N4 O10 -","- C216 H212 Er8 N16 O40 -","4","1","","Sun, Wen-Bin; Han, Bing-Lu; Lin, Po-Heng; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Murugesu, Muralee; Yan, Peng-Fei","Series of dinuclear and tetranuclear lanthanide clusters encapsulated by salen-type and β-diketionate ligands: single-molecule magnet and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13397","13403","10.1039/c3dt51227d","","","0.71073","MoKα","","0.0978","0.0514","","","0.1198","0.1482","","","","","","0.966","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021833","25.4209","0.0013","14.9879","0.0008","21.0093","0.0011","90","","115.944","0.001","90","","7198","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C63 H76 N4 O19 Tb4 -","- C63 H76 N4 O19 Tb4 -","- C252 H304 N16 O76 Tb16 -","4","0.5","","Sun, Wen-Bin; Han, Bing-Lu; Lin, Po-Heng; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Murugesu, Muralee; Yan, Peng-Fei","Series of dinuclear and tetranuclear lanthanide clusters encapsulated by salen-type and β-diketionate ligands: single-molecule magnet and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13397","13403","10.1039/c3dt51227d","","","0.71073","MoKα","","0.0945","0.0486","","","0.1064","0.1274","","","","","","1.042","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021834","11.9873","0.0005","12.6398","0.0005","14.0357","0.0009","112.456","0.001","101.556","0.001","105.777","0.001","1777.28","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H78 Dy4 N6 O18 -","- C66 H78 Dy4 N6 O18 -","- C66 H78 Dy4 N6 O18 -","1","0.5","","Sun, Wen-Bin; Han, Bing-Lu; Lin, Po-Heng; Li, Hong-Feng; Chen, Peng; Tian, Yong-Mei; Murugesu, Muralee; Yan, Peng-Fei","Series of dinuclear and tetranuclear lanthanide clusters encapsulated by salen-type and β-diketionate ligands: single-molecule magnet and fluorescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13397","13403","10.1039/c3dt51227d","","","0.71073","MoKα","","0.0374","0.0253","","","0.0542","0.0601","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021835","16.929","0.0013","11.0728","0.0009","15.1442","0.0012","90","","90","","90","","2838.8","0.4","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H9 N2 O7 V -","- C14 H9 N2 O7 V -","- C112 H72 N16 O56 V8 -","8","1","","Patra, Swarup; Chatterjee, Suparna; Si, Tapan Kr; Mukherjea, Kalyan K.","Synthesis, structural characterization, VHPO mimicking peroxidative bromination and DNA nuclease activity of oxovanadium(v) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13425","13435","10.1039/c3dt51291f","","","0.71073","MoKα","","0.0457","0.0359","","","0.1075","0.118","","","","","","0.818","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021836","12.3056","0.0003","6.0449","0.0002","26.4794","0.0006","90","","102.664","0.002","90","","1921.78","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 N2 O7 V -","- C20 H13 N2 O7 V -","- C80 H52 N8 O28 V4 -","4","1","","Patra, Swarup; Chatterjee, Suparna; Si, Tapan Kr; Mukherjea, Kalyan K.","Synthesis, structural characterization, VHPO mimicking peroxidative bromination and DNA nuclease activity of oxovanadium(v) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13425","13435","10.1039/c3dt51291f","","","0.71073","MoKα","","0.0606","0.039","","","0.0918","0.1019","","","","","","1.034","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021837","4.6705","0.0001","13.9784","0.0003","12.7548","0.0002","90","","94.458","0.002","90","","830.19","0.03","295","2","295","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C17 H14 F3 N O2 Pt S -","- C17 H14 F3 N O2 Pt S -","- C34 H28 F6 N2 O4 Pt2 S2 -","2","1","","Haghighi, Mohsen Golbon; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Kubicki, Maciej","Selectivity in metal-carbon bond protonolysis in p-tolyl- (or methyl)-cycloplatinated(ii) complexes: kinetics and mechanism of the uncatalyzed isomerization of the resulting Pt(ii) products.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13369","13380","10.1039/c3dt51339d","","","1.54178","","","0.0357","0.0339","","","0.0931","0.0948","","","","","","1.107","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021838","11.6274","0.0002","13.9851","0.0002","21.7088","0.0003","90","","92.005","0.001","90","","3527.91","0.09","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 F3 N O2 P2 Pt -","- C41 H32 F3 N O2 P2 Pt -","- C164 H128 F12 N4 O8 P8 Pt4 -","4","1","","Haghighi, Mohsen Golbon; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Kubicki, Maciej","Selectivity in metal-carbon bond protonolysis in p-tolyl- (or methyl)-cycloplatinated(ii) complexes: kinetics and mechanism of the uncatalyzed isomerization of the resulting Pt(ii) products.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13369","13380","10.1039/c3dt51339d","","","0.7107","MoKα","","0.0388","0.0263","","","0.0548","0.0592","","","","","","1.137","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021839","10.2693","0.0017","11.313","0.0007","13.852","0.002","87.14","0.008","72.665","0.015","70.061","0.009","1441.7","0.4","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H27 F3 N O2 P Pt -","- C32 H27 F3 N O2 P Pt -","- C64 H54 F6 N2 O4 P2 Pt2 -","2","1","","Haghighi, Mohsen Golbon; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Kubicki, Maciej","Selectivity in metal-carbon bond protonolysis in p-tolyl- (or methyl)-cycloplatinated(ii) complexes: kinetics and mechanism of the uncatalyzed isomerization of the resulting Pt(ii) products.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13369","13380","10.1039/c3dt51339d","","","0.7107","MoKα","","0.033","0.0282","","","0.0701","0.0728","","","","","","1.028","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021840","10.3756","0.0004","11.2883","0.0004","14.2333","0.0005","87.582","0.003","73.443","0.003","69.265","0.004","1491.22","0.11","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H29 F3 N O2 P Pt -","- C33 H29 F3 N O2 P Pt -","- C66 H58 F6 N2 O4 P2 Pt2 -","2","1","","Haghighi, Mohsen Golbon; Nabavizadeh, S. Masoud; Rashidi, Mehdi; Kubicki, Maciej","Selectivity in metal-carbon bond protonolysis in p-tolyl- (or methyl)-cycloplatinated(ii) complexes: kinetics and mechanism of the uncatalyzed isomerization of the resulting Pt(ii) products.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13369","13380","10.1039/c3dt51339d","","","0.7107","MoKα","","0.0346","0.028","","","0.0615","0.0647","","","","","","1.061","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021841","10.235","0.002","14.898","0.003","30.275","0.006","90","","101.897","0.006","90","","4517.2","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H26 N4 O15 Zn3 -","- C50 H26 N4 O15 Zn3 -","- C200 H104 N16 O60 Zn12 -","4","1","","Jin, Zhao; He, Hongming; Zhao, Huanyu; Borjigin, Tsolmon; Sun, Fuxing; Zhang, Daming; Zhu, Guangshan","A luminescent metal-organic framework for sensing methanol in ethanol solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13335","13338","10.1039/c3dt51414e","","","0.71073","MoKα","","0.1154","0.0567","","","0.1408","0.1657","","","","","","1.027","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021842","12.396","0.005","18.625","0.005","12.487","0.005","90","0.005","117.298","0.005","90","0.005","2561.9","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Fe N4 O4 -","- C30 H30 Fe N4 O4 -","- C120 H120 Fe4 N16 O16 -","4","1","","Chandrasekhar, Vadapalli; Chakraborty, Amit; Sañudo, E Carolina","Ferrocene-based compartmental ligand for the assembly of neutral Zn(II)/Ln(III) heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13436","13443","10.1039/c3dt51432c","","","0.71069","MoKα","","0.1397","0.0666","","","0.1579","0.2232","","","","","","0.953","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021843","11.282","0.005","11.873","0.005","13.438","0.005","72.211","0.005","86.53","0.005","88.731","0.005","1710.8","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H31 Dy Fe N6 O12 Zn -","- C32 H31 Dy Fe N6 O12 Zn -","- C64 H62 Dy2 Fe2 N12 O24 Zn2 -","2","1","","Chandrasekhar, Vadapalli; Chakraborty, Amit; Sañudo, E Carolina","Ferrocene-based compartmental ligand for the assembly of neutral Zn(II)/Ln(III) heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13436","13443","10.1039/c3dt51432c","","","0.71069","MoKα","","0.0899","0.0569","","","0.1357","0.1894","","","","","","1.045","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021844","11.306","0.002","11.882","0.003","13.432","0.003","72.214","0.004","86.364","0.004","88.696","0.004","1714.7","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H31 Fe N6 O12 Tb Zn -","- C32 H31 Fe N6 O12 Tb Zn -","- C64 H62 Fe2 N12 O24 Tb2 Zn2 -","2","1","","Chandrasekhar, Vadapalli; Chakraborty, Amit; Sañudo, E Carolina","Ferrocene-based compartmental ligand for the assembly of neutral Zn(II)/Ln(III) heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13436","13443","10.1039/c3dt51432c","","","0.71073","MoKα","","0.0658","0.0485","","","0.116","0.1402","","","","","","1.048","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021845","30.028","0.005","18.689","0.005","14.781","0.005","90","0.005","99.668","0.005","90","0.005","8177","4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C67 H64 Cl9 Fe2 Gd2 N12 O24 Zn2 -","- C67 H64 Cl9 Fe2 Gd2 N12 O24 Zn2 -","- C268 H256 Cl36 Fe8 Gd8 N48 O96 Zn8 -","4","0.5","","Chandrasekhar, Vadapalli; Chakraborty, Amit; Sañudo, E Carolina","Ferrocene-based compartmental ligand for the assembly of neutral Zn(II)/Ln(III) heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13436","13443","10.1039/c3dt51432c","","","0.71069","MoKα","","0.07","0.0614","","","0.131","0.1363","","","","","","1.216","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021846","11.259","0.005","11.864","0.005","13.429","0.005","72.504","0.005","86.526","0.005","88.687","0.005","1707.7","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H31 Er Fe N6 O12 Zn -","- C32 H31 Er Fe N6 O12 Zn -","- C64 H62 Er2 Fe2 N12 O24 Zn2 -","2","1","","Chandrasekhar, Vadapalli; Chakraborty, Amit; Sañudo, E Carolina","Ferrocene-based compartmental ligand for the assembly of neutral Zn(II)/Ln(III) heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13436","13443","10.1039/c3dt51432c","","","0.71069","MoKα","","0.0626","0.0477","","","0.118","0.1455","","","","","","1.063","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021847","11.2702","0.0009","11.8757","0.001","13.429","0.0011","72.48","0.002","86.528","0.002","88.765","0.002","1710.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H31 Fe Ho N6 O12 Zn -","- C32 H31 Fe Ho N6 O12 Zn -","- C64 H62 Fe2 Ho2 N12 O24 Zn2 -","2","1","","Chandrasekhar, Vadapalli; Chakraborty, Amit; Sañudo, E Carolina","Ferrocene-based compartmental ligand for the assembly of neutral Zn(II)/Ln(III) heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13436","13443","10.1039/c3dt51432c","","","0.71073","MoKα","","0.0893","0.0601","","","0.1194","0.1655","","","","","","1.084","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021848","11.321","0.005","11.872","0.005","13.471","0.005","72.297","0.005","86.37","0.005","89.106","0.005","1721.3","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H31 Eu Fe N6 O12 Zn -","- C32 H31 Eu Fe N6 O12 Zn -","- C64 H62 Eu2 Fe2 N12 O24 Zn2 -","2","1","","Chandrasekhar, Vadapalli; Chakraborty, Amit; Sañudo, E Carolina","Ferrocene-based compartmental ligand for the assembly of neutral Zn(II)/Ln(III) heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13436","13443","10.1039/c3dt51432c","","","0.71069","MoKα","","0.052","0.0427","","","0.1111","0.1188","","","","","","1.054","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021849","11.8981","0.0006","8.1956","0.0005","10.0764","0.0005","90","","96.396","0.003","90","","976.45","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H Gd O9 -","- C4 H Gd O9 -","- C16 H4 Gd4 O36 -","4","1","","Biswas, Soumava; Adhikary, Amit; Goswami, Soumyabrata; Konar, Sanjit","Observation of a large magnetocaloric effect in a 2D Gd(iii)-based coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13331","13334","10.1039/c3dt51668g","","","0.71073","MoKα","","0.0305","0.0257","","","0.0629","0.0645","","","","","","1.239","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021850","7.2336","0.0004","20.5641","0.001","20.2197","0.001","90","","92.986","0.001","90","","3003.6","0.3","230","2","230","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Cl2 I N O2 Pt S -","- C11 H10 Cl2 I N O2 Pt S -","- C88 H80 Cl16 I8 N8 O16 Pt8 S8 -","8","2","","Martín Santos, Cecilia; Cabrera, Silvia; Ríos-Luci, Carla; Padrón, José M; López Solera, Isabel; Quiroga, Adoración G; Medrano, María A; Navarro-Ranninger, Carmen; Alemán, José","Novel clioquinol and its analogous platinum complexes: importance, role of the halogen substitution and the hydroxyl group of the ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13343","13348","10.1039/c3dt51720a","","","0.71073","MoKα","","0.0367","0.0283","","","0.0595","0.0624","","","","","","1.017","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021851","7.5111","0.0001","7.5111","0.0001","13.4593","0.0005","90","","90","","90","","759.33","0.03","100","2","100","2","","","","","","","","6","P 42/m m c","-P 4c 2","131","","","","- C5 H10 Mn N5 O4 Zn -","- C5 H4 Mn N5 O4 Zn -","- C10 H8 Mn2 N10 O8 Zn2 -","2","0.125","","Murphy, Michael J.; D'Alessandro, Deanna M; Kepert, Cameron J.","A porous Mn(v) coordination framework with PtS topology: assessment of the influence of a terminal nitride on CO2 sorption.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13308","13310","10.1039/c3dt51721g","","","0.71073","MoKα","","0.0446","0.0428","","","0.1218","0.1233","","","","","","1.11","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021852","23.9547","0.0015","8.745","0.0004","36.317","0.002","90","","103.866","0.004","90","","7386.1","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H44 N4 O2 -","- C47 H44 N4 O2 -","- C376 H352 N32 O16 -","8","1","","Sahana, Animesh; Banerjee, Arnab; Lohar, Sisir; Banik, Avishek; Mukhopadhyay, Subhra Kanti; Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann; Das, Debasis","FRET based tri-color emissive rhodamine-pyrene conjugate as an Al(3+) selective colorimetric and fluorescence sensor for living cell imaging.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13311","13314","10.1039/c3dt51752g","","","0.71073","MoKα","","0.1306","0.0635","","","0.1592","0.187","","","","","","0.878","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021853","13.9537","0.0006","34.0884","0.0014","18.0134","0.0007","90","","92.907","0.001","90","","8557.2","0.6","88","2","88","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","tetramethylammonium decaniobomanganate","","","- C32 H101 Mn N8 Nb10 O54 -","- C32 H101 Mn N8 Nb10 O54.134 -","- C128 H404 Mn4 N32 Nb40 O216.536 -","4","1","","Son, Jung-Ho; Casey, William H.","A decatungstate-type polyoxoniobate with centered manganese: [H2Mn(IV)Nb10O32](8-) as a soluble tetramethylammonium salt.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13339","13342","10.1039/c3dt51798e","","","0.71073","MoKα","","0.0481","0.0364","","","0.0867","0.0937","","","","","","1.03","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021868","18.2305","0.0005","18.9609","0.0004","33.7647","0.0006","90","","90","","90","","11671.3","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C125 H109 Cl6 Dy5 N4 O25 -","- C123 H105 Cl2 Dy5 N4 O25 -","- C492 H420 Cl8 Dy20 N16 O100 -","4","1","","Thielemann, Dominique T.; Wagner, Anna T.; Lan, Yanhua; Anson, Christopher E.; Gamer, Michael T.; Powell, Annie K.; Roesky, Peter W.","Slow magnetic relaxation in four square-based pyramidal dysprosium hydroxo clusters ligated by chiral amino acid anions - a comparative study.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14794","14800","10.1039/c3dt50133g","","","0.71073","MoKα","","0.0352","0.0287","","","0.0603","0.0619","","","","","","0.951","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021869","19.2234","0.0003","23.2783","0.0004","30.4077","0.0007","90","","90","","90","","13607.1","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C139 H125 Cl10 Dy5 N8 O25 -","- C134 H115 Dy5 N8 O25 -","- C536 H460 Dy20 N32 O100 -","4","1","","Thielemann, Dominique T.; Wagner, Anna T.; Lan, Yanhua; Anson, Christopher E.; Gamer, Michael T.; Powell, Annie K.; Roesky, Peter W.","Slow magnetic relaxation in four square-based pyramidal dysprosium hydroxo clusters ligated by chiral amino acid anions - a comparative study.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14794","14800","10.1039/c3dt50133g","","","0.71073","MoKα","","0.1072","0.0837","","","0.2322","0.2409","","","","","","1.122","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021870","17.1242","0.0006","20.0781","0.0004","32.8693","0.0007","90","","90","","90","","11301.2","0.5","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C114 H113 Cl6 Dy5 N4 O26 -","- C113 H111 Cl4 Dy5 N4 O26 -","- C452 H444 Cl16 Dy20 N16 O104 -","4","1","","Thielemann, Dominique T.; Wagner, Anna T.; Lan, Yanhua; Anson, Christopher E.; Gamer, Michael T.; Powell, Annie K.; Roesky, Peter W.","Slow magnetic relaxation in four square-based pyramidal dysprosium hydroxo clusters ligated by chiral amino acid anions - a comparative study.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14794","14800","10.1039/c3dt50133g","","","0.71073","MoKα","","0.0465","0.039","","","0.0876","0.0901","","","","","","0.966","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021871","16.808","0.0011","18.5842","0.0011","26.0343","0.0015","83.712","0.005","74.534","0.005","75.964","0.005","7594.9","0.8","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C181 H160 Dy5 N4 O25.5 -","- C153 H127 Dy5 N4 O25.5 -","- C306 H254 Dy10 N8 O51 -","2","1","","Thielemann, Dominique T.; Wagner, Anna T.; Lan, Yanhua; Anson, Christopher E.; Gamer, Michael T.; Powell, Annie K.; Roesky, Peter W.","Slow magnetic relaxation in four square-based pyramidal dysprosium hydroxo clusters ligated by chiral amino acid anions - a comparative study.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14794","14800","10.1039/c3dt50133g","","","0.71073","MoKα","","0.1304","0.0519","","","0.0833","0.1008","","","","","","0.663","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021872","9.913","0.004","16.712","0.011","15.741","0.009","90","","94.58","0.04","90","","2599","3","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H35 N3 O2 -","- C31 H35 N3 O2 -","- C124 H140 N12 O8 -","4","1","","Diwan, Uzra; Kumar, Ajit; Kumar, Virendra; Upadhyay, K. K.","Solvent viscosity tuned highly selective NIR and ratiometric fluorescent sensing of Fe(3+) by a symmetric chalcone analogue.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13889","13896","10.1039/c3dt50733e","","","0.71073","","","0.149676","0.078151","","","","0.228468","","","","","","1.0365","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021873","11.873","0.005","11.873","0.005","9.961","0.006","90","","90","","90","","1404.2","1.2","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H10 F6 N2 O2 -","- C14 H10 F6 N2 O2 -","- C56 H40 F24 N8 O8 -","4","0.5","","Güden-Silber, Tuba; Klein, Kathrin; Seitz, Michael","4,4'-Bis(trifluoromethyl)-2,2'-bipyridine - a multipurpose ligand scaffold for lanthanoid-based luminescence/(19)F NMR probes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13882","13888","10.1039/c3dt50842k","","","0.71075","MoKα","","0.075","0.0573","","","0.125","0.1352","","","","","","1.108","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021874","10.181","0.012","11.591","0.012","16.455","0.018","78.15","0.03","85.49","0.03","84.13","0.03","1887","4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 F12 N5 O8 Tb -","- C34 H24 F12 N5 O8 Tb -","- C68 H48 F24 N10 O16 Tb2 -","2","1","","Güden-Silber, Tuba; Klein, Kathrin; Seitz, Michael","4,4'-Bis(trifluoromethyl)-2,2'-bipyridine - a multipurpose ligand scaffold for lanthanoid-based luminescence/(19)F NMR probes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13882","13888","10.1039/c3dt50842k","","","0.71075","MoKα","","0.0861","0.0718","","","0.1886","0.2072","","","","","","1.088","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021875","19.4468","0.0013","23.6865","0.0016","25.9226","0.0017","78.197","0.004","87.186","0.004","71.921","0.004","11109.8","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","[Chlorido-tris(miu~4~-oxido)-pentakis(miu~3~-oxido)-pentadecakis(miu~2~-hapto^1^:hapto^1^- 3,4,5-trimethoxybenzoato)-(miu~2~-hapto^1^:hapto^2^-trimethoxybenzoato)-tris(dimethyl- formamide/aquo)-undeca-iron(III)]diethyl ether-dimethylformamide-water solvate","","- C175.25 H220.85 Cl Fe11 N3.75 O97.05 -","- C175.25 H212.25 Cl Fe11 N3.75 O97.05 -","- C350.5 H424.5 Cl2 Fe22 N7.5 O194.1 -","2","1","","Milunovic, Miljan N. M.; Martins, Luísa M D R S; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Krachler, Regina; Trettenhahn, Günter; Turta, Constantin; Shova, Sergiu; Arion, Vladimir B.","Hexanuclear and undecanuclear iron(iii) carboxylates as catalyst precursors for cyclohexane oxidation.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14388","14401","10.1039/c3dt50966d","","","0.71073","MoKα","","0.1366","0.0824","","","0.2336","0.272","","","","","","1.067","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021876","15.3674","0.0007","16.1325","0.0007","16.2835","0.0007","73.631","0.002","80.246","0.003","65.635","0.002","3521.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C114.5 H150.5 Fe6 O65 -","- C114.54 H150.6 Fe6 O65 -","- C114.54 H150.6 Fe6 O65 -","1","0.5","","Milunovic, Miljan N. M.; Martins, Luísa M D R S; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Krachler, Regina; Trettenhahn, Günter; Turta, Constantin; Shova, Sergiu; Arion, Vladimir B.","Hexanuclear and undecanuclear iron(iii) carboxylates as catalyst precursors for cyclohexane oxidation.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14388","14401","10.1039/c3dt50966d","","","0.71073","MoKα","","0.1099","0.0798","","","0.2433","0.2795","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021877","12.835","0.0012","22.061","0.003","9.0732","0.0008","90","","107.478","0.007","90","","2450.5","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 B2 -","- C30 H30 B2 -","- C120 H120 B8 -","4","1","","Hoffend, Claas; Diefenbach, Martin; Januszewski, Estera; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","Effects of boron doping on the structural and optoelectronic properties of 9,10-diarylanthracenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13826","13837","10.1039/c3dt51035b","","","0.71073","MoKα","","0.1454","0.0717","","","0.139","0.1646","","","","","","0.913","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021878","10.5785","0.0015","11.729","0.0016","17.244","0.003","90","","104.849","0.012","90","","2068.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H62 B2 Li2 O4 -","- C46 H62 B2 Li2 O4 -","- C92 H124 B4 Li4 O8 -","2","0.5","","Hoffend, Claas; Diefenbach, Martin; Januszewski, Estera; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","Effects of boron doping on the structural and optoelectronic properties of 9,10-diarylanthracenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13826","13837","10.1039/c3dt51035b","","","0.71073","MoKα","","0.0833","0.0562","","","0.16","0.1682","","","","","","1.101","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021879","20.2695","0.0012","13.5626","0.0009","14.2131","0.0008","90","","117.614","0.004","90","","3462.2","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 B2 Li2 O2 -","- C38 H50 B2 Li2 O2 -","- C152 H200 B8 Li8 O8 -","4","0.5","","Hoffend, Claas; Diefenbach, Martin; Januszewski, Estera; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","Effects of boron doping on the structural and optoelectronic properties of 9,10-diarylanthracenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13826","13837","10.1039/c3dt51035b","","","0.71073","MoKα","","0.0556","0.0448","","","0.1184","0.1246","","","","","","1.046","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021880","9.2654","0.0006","20.7217","0.001","9.622","0.0006","90","","109.597","0.005","90","","1740.37","0.19","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B2 -","- C46 H38 B2 -","- C92 H76 B4 -","2","0.5","","Hoffend, Claas; Diefenbach, Martin; Januszewski, Estera; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","Effects of boron doping on the structural and optoelectronic properties of 9,10-diarylanthracenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13826","13837","10.1039/c3dt51035b","","","0.71073","MoKα","","0.057","0.0435","","","0.1075","0.1144","","","","","","1.027","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021881","7.2622","0.0004","19.4203","0.0012","8.8976","0.0005","90","","100.495","0.005","90","","1233.87","0.13","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 -","- C32 H30 -","- C64 H60 -","2","0.5","","Hoffend, Claas; Diefenbach, Martin; Januszewski, Estera; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","Effects of boron doping on the structural and optoelectronic properties of 9,10-diarylanthracenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13826","13837","10.1039/c3dt51035b","","","0.71073","MoKα","","0.0619","0.0541","","","0.1392","0.1442","","","","","","1.115","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021882","9.1166","0.0017","9.424","0.0018","10.5376","0.0018","87.558","0.015","81.861","0.014","71.156","0.015","848.2","0.3","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C48 H38 -","- C48 H38 -","- C48 H38 -","1","0.5","","Hoffend, Claas; Diefenbach, Martin; Januszewski, Estera; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","Effects of boron doping on the structural and optoelectronic properties of 9,10-diarylanthracenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13826","13837","10.1039/c3dt51035b","","","0.71073","MoKα","","0.1325","0.0988","","","0.1984","0.2104","","","","","","1.134","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021883","19.691","0.0015","9.7696","0.0005","18.3312","0.0014","90","","101.556","0.006","90","","3454.9","0.4","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 -","- C48 H38 -","- C192 H152 -","4","0.5","","Hoffend, Claas; Diefenbach, Martin; Januszewski, Estera; Bolte, Michael; Lerner, Hans-Wolfram; Holthausen, Max C.; Wagner, Matthias","Effects of boron doping on the structural and optoelectronic properties of 9,10-diarylanthracenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13826","13837","10.1039/c3dt51035b","","","0.71073","MoKα","","0.0543","0.0486","","","0.1281","0.1316","","","","","","1.143","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021884","11.26","0.003","12.517","0.004","12.752","0.004","66.13","0.03","75.17","0.03","76.07","0.03","1569.6","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H58 Cl2 O24 Zn4 -","- C65 H58 Cl2 O24 Zn4 -","- C65 H58 Cl2 O24 Zn4 -","1","0.5","","Petrus, Rafał; Sobota, Piotr","Zinc complexes supported by methyl salicylato ligands: synthesis, structure, and application in ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13838","13844","10.1039/c3dt51200b","","","0.71073","MoKα","","0.05","0.0336","","","0.08","0.0844","","","","","","0.975","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021885","27.674","0.004","12.21","0.002","15.867","0.003","90","","92.47","0.02","90","","5356.5","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H56 N4 O12 Zn2 -","- C59 H56 N4 O12 Zn2 -","- C236 H224 N16 O48 Zn8 -","4","1","","Petrus, Rafał; Sobota, Piotr","Zinc complexes supported by methyl salicylato ligands: synthesis, structure, and application in ring-opening polymerization of l-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13838","13844","10.1039/c3dt51200b","","","0.71073","MoKα","","0.0621","0.0333","","","0.0737","0.0796","","","","","","0.871","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021886","24.559","0.003","24.559","0.003","17.082","0.002","90","","90","","120","","8922.6","1.9","298","2","298","2","","","","","","","","9","P 63/m","-P 6c","176","","","","- C18 H133 K3 La6 Mn3 N3 O185 S2 V39 -","- C18 K3 La6 Mn3 N3 O170 S2 V39 -","- C36 K6 La12 Mn6 N6 O340 S4 V78 -","2","0.166667","","Liu, Ding; Lu, Ying; Li, Yang-Guang; Tan, Hua-Qiao; Chen, Wei-Lin; Zhang, Zhi-Ming; Wang, En-Bo","Assembly of trimeric polyoxovanadate aggregates based on [MnV13O38](7-) building blocks and lanthanide cations.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14445","14453","10.1039/c3dt51250a","","","0.71073","MoKα","","0.0758","0.0502","","","0.1304","0.1415","","","","","","1.066","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021887","24.707","0.004","24.707","0.004","17.215","0.003","90","","90","","120","","9101","3","293","2","293","2","","","","","","","","9","P 63/m","-P 6c","176","","","","- C18 H109.5 Ce6 K1.5 Mn3 N3 O172.5 S2 V39 -","- C18 Ce6 K1.5 Mn3 N3 O172.56 S2 V39.03 -","- C36 Ce12 K3 Mn6 N6 O345.12 S4 V78.06 -","2","0.166667","","Liu, Ding; Lu, Ying; Li, Yang-Guang; Tan, Hua-Qiao; Chen, Wei-Lin; Zhang, Zhi-Ming; Wang, En-Bo","Assembly of trimeric polyoxovanadate aggregates based on [MnV13O38](7-) building blocks and lanthanide cations.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14445","14453","10.1039/c3dt51250a","","","0.71073","MoKα","","0.0905","0.0689","","","0.1721","0.1831","","","","","","0.988","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021888","24.603","0.003","24.603","0.003","17.343","0.003","90","","90","","120","","9091","2","293","2","293","2","","","","","","","","9","P 63/m","-P 6c","176","","","","- C18 H107 K3 Mn3 N3 Nd6 O172 S2 V39 -","- C18 K3 Mn3 N3 Nd6 O172.01 S2 V39 -","- C36 K6 Mn6 N6 Nd12 O344.02 S4 V78 -","2","0.166667","","Liu, Ding; Lu, Ying; Li, Yang-Guang; Tan, Hua-Qiao; Chen, Wei-Lin; Zhang, Zhi-Ming; Wang, En-Bo","Assembly of trimeric polyoxovanadate aggregates based on [MnV13O38](7-) building blocks and lanthanide cations.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14445","14453","10.1039/c3dt51250a","","","0.71073","MoKα","","0.095","0.0724","","","0.1957","0.2099","","","","","","1.047","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021889","23.089","0.005","13.631","0.005","19.256","0.005","90","0.005","109.217","0.005","90","0.005","5723","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H59 Cl4 N9 O2 Ru2 -","- C47 H59 Cl4 N9 O2 Ru2 -","- C188 H236 Cl16 N36 O8 Ru8 -","4","0.5","","Tripathy, Suman Kumar; Surada, Raj Kiran; Manne, Rajesh K.; Mobin, Shaikh M.; Santra, Manas Kumar; Patra, Srikanta","Synthesis, characterisation and biological activities of [(p-cym)RuX(pz4lut)](n+) and [{(p-cym)RuX}2(μ-pz4lut)](n+) (X = Cl, H2O and pz4lut = α,α,α',α'-tetra(pyrazol-1-yl)-2,6-lutidine).","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14081","14091","10.1039/c3dt51275d","","","0.71073","MoKα","","0.0809","0.0679","","","0.1897","0.2038","","","","","","1.077","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021890","11.2372","0.0003","15.7022","0.0003","18.983","0.0004","68.92","0.002","85.483","0.002","86.922","0.002","3114.51","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H73 Cl4 N9 O24 Ru2 -","- C47 H73 Cl4 N9 O24 Ru2 -","- C94 H146 Cl8 N18 O48 Ru4 -","2","1","","Tripathy, Suman Kumar; Surada, Raj Kiran; Manne, Rajesh K.; Mobin, Shaikh M.; Santra, Manas Kumar; Patra, Srikanta","Synthesis, characterisation and biological activities of [(p-cym)RuX(pz4lut)](n+) and [{(p-cym)RuX}2(μ-pz4lut)](n+) (X = Cl, H2O and pz4lut = α,α,α',α'-tetra(pyrazol-1-yl)-2,6-lutidine).","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14081","14091","10.1039/c3dt51275d","","","0.71073","MoKα","","0.0433","0.0401","","","0.1052","0.108","","","","","","1.033","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021891","18.031","0.003","12.12","0.002","44.305","0.008","90","","98.088","0.003","90","","9586","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45.5 H69 Mg N3 O2 Si2 -","- C45.5 H69 Mg N3 O2 Si2 -","- C364 H552 Mg8 N24 O16 Si16 -","8","1","","Song, Shaodi; Ma, Haiyan; Yang, Yang","Magnesium complexes supported by salan-like ligands: Synthesis, characterization and their application in the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14200","14211","10.1039/c3dt51344k","","","0.71073","MoKα","","0.0915","0.0673","","","0.1881","0.2076","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021892","14.9422","0.0011","17.3627","0.0013","14.9983","0.0012","90","","114.366","0.001","90","","3544.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H55 Mg N3 O2 Si2 -","- C31 H55 Mg N3 O2 Si2 -","- C124 H220 Mg4 N12 O8 Si8 -","4","1","","Song, Shaodi; Ma, Haiyan; Yang, Yang","Magnesium complexes supported by salan-like ligands: Synthesis, characterization and their application in the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14200","14211","10.1039/c3dt51344k","","","0.71073","MoKα","","0.1084","0.0531","","","0.1254","0.151","","","","","","0.983","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021893","9.423","0.004","27.293","0.01","15.241","0.006","90","","101.172","0.005","90","","3845","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H59 Mg N3 O2 Si2 -","- C33 H59 Mg N3 O2 Si2 -","- C132 H236 Mg4 N12 O8 Si8 -","4","1","","Song, Shaodi; Ma, Haiyan; Yang, Yang","Magnesium complexes supported by salan-like ligands: Synthesis, characterization and their application in the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14200","14211","10.1039/c3dt51344k","","","0.71073","MoKα","","0.1022","0.0615","","","0.1683","0.1929","","","","","","0.993","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021894","11.65","0.005","14.321","0.006","18.739","0.007","90","","97.448","0.005","90","","3100","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H41 Cl2 Mg N3 O2 Si2 -","- C25 H41 Cl2 Mg N3 O2 Si2 -","- C100 H164 Cl8 Mg4 N12 O8 Si8 -","4","1","","Song, Shaodi; Ma, Haiyan; Yang, Yang","Magnesium complexes supported by salan-like ligands: Synthesis, characterization and their application in the ring-opening polymerization of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14200","14211","10.1039/c3dt51344k","","","0.71073","MoKα","","0.0974","0.0498","","","0.1125","0.1344","","","","","","0.929","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021895","15.0433","0.0004","12.0424","0.0003","16.5253","0.0004","90","","110.917","0.001","90","","2796.39","0.12","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H50 Al Ti -","- C28 H50 Al Ti -","- C112 H200 Al4 Ti4 -","4","0.5","","Thomas, Johannes; Klahn, Marcus; Spannenberg, Anke; Beweries, Torsten","Group 4 metallocene catalysed full dehydrogenation of hydrazine borane.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14668","14672","10.1039/c3dt51370j","","","0.71073","MoKα","","0.032","0.0274","","","0.0741","0.0777","","","","","","1.034","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021896","7.348","0.002","15.929","0.005","12.843","0.004","90","","91.637","0.004","90","","1502.6","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Cl F2 O4 Ti -","- C11 H16 Cl F2 O4 Ti -","- C44 H64 Cl4 F8 O16 Ti4 -","4","1","","Funaioli, Tiziana; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Ligand-interchange reactions between M(iv) (M = Ti, V) oxide bis-acetylacetonates and halides of high-valent group 4 and 5 metals. A synthetic and electrochemical study.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14168","14177","10.1039/c3dt51378e","","","0.71073","MoKα","","0.1073","0.1051","","","0.2541","0.255","","","","","","1.21","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021897","12.6724","0.0004","12.6724","0.0004","25.2868","0.0016","90","","90","","90","","4060.8","0.3","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C12 H10 N8 O4 Zn2 -","- C12 H10 N8 O4 Zn2 -","- C96 H80 N64 O32 Zn16 -","8","0.5","","Luo, Ming-Biao; Yuan, Zi-Zun; Xu, Wen-Yuan; Luo, Feng; Li, Jian-Qiang; Zhu, Yan; Feng, Xue-Feng; Liu, Shu-Juan","Framework isomers controlled by the speed of crystallization: different aggregation fashions of Zn(ii) and 1,2,4-triazol-3-amine, distinct (3,4)-connected self-penetrating nets, and various pore shapes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13802","13805","10.1039/c3dt51454d","","","0.71073","MoKα","","0.0323","0.0291","","","0.0847","0.0869","","","","","","1.121","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021898","11.8739","0.0015","11.8739","0.0015","25.494","0.005","90","","90","","120","","3112.8","0.8","296","2","296","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C6 H5 N4 O2 Zn -","- C6 H5 N4 O2 Zn -","- C72 H60 N48 O24 Zn12 -","12","1","","Luo, Ming-Biao; Yuan, Zi-Zun; Xu, Wen-Yuan; Luo, Feng; Li, Jian-Qiang; Zhu, Yan; Feng, Xue-Feng; Liu, Shu-Juan","Framework isomers controlled by the speed of crystallization: different aggregation fashions of Zn(ii) and 1,2,4-triazol-3-amine, distinct (3,4)-connected self-penetrating nets, and various pore shapes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13802","13805","10.1039/c3dt51454d","","","0.71073","MoKα","","0.0999","0.0827","","","0.186","0.1977","","","","","","1.087","","","","has coordinates","179923","2020-10-21","18:00:00",""
"7021899","14.9219","0.0003","8.021","0.0002","17.8888","0.0004","90","","112.216","0.002","90","","1982.14","0.08","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Zr -","- C24 H26 Zr -","- C96 H104 Zr4 -","4","1","","Bender, Georg; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Erker, Gerhard","Formation and structural characterization of a five-membered zirconacycloallenoid.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14673","14676","10.1039/c3dt51497h","","","0.71073","MoKα","","0.0952","0.072","","","0.161","0.1762","","","","","","1.086","","","","has coordinates,has disorder","179923","2020-10-21","18:00:00",""
"7021900","8.2886","0.0002","13.2145","0.0003","15.2253","0.0004","67.337","0.001","85.182","0.001","83.609","0.001","1527.76","0.07","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H36 Zr2 -","- C34 H36 Zr2 -","- C68 H72 Zr4 -","2","1","","Bender, Georg; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Erker, Gerhard","Formation and structural characterization of a five-membered zirconacycloallenoid.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14673","14676","10.1039/c3dt51497h","","","0.71073","MoKα","","0.0735","0.0543","","","0.1078","0.1161","","","","","","1.048","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021901","8.7664","0.0002","15.5494","0.0003","18.6857","0.0006","96.113","0.001","93.685","0.001","99.541","0.001","2488.84","0.11","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H62 Cl4 N2 Zr2 -","- C54 H62 Cl4 N2 Zr2 -","- C108 H124 Cl8 N4 Zr4 -","2","1","","Bender, Georg; Kehr, Gerald; Daniliuc, Constantin G.; Wibbeling, Birgit; Erker, Gerhard","Formation and structural characterization of a five-membered zirconacycloallenoid.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14673","14676","10.1039/c3dt51497h","","","0.71073","MoKα","","0.1037","0.0715","","","0.1352","0.1557","","","","","","1.089","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021902","18.3034","0.0007","9.9708","0.0002","32.6485","0.001","90","","99.563","0.003","90","","5875.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H73 Cl2 Cu2 N11 O13 -","- C58 H65 Cl2 Cu2 N11 O13 -","- C232 H260 Cl8 Cu8 N44 O52 -","4","1","","Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu","Discrimination of cis-trans isomers by dinuclear metal cryptates at physiological pH: selectivity for fumarate vs. maleate.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14092","14099","10.1039/c3dt51501j","","","1.54178","CuKα","","0.123","0.0919","","","0.2131","0.233","","","","","","1.099","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021903","18.3486","0.0007","10.0477","0.0002","32.7258","0.001","90","","99.934","0.003","90","","5942.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H74 Cl2 Cu2 N11 O12.5 -","- C58.002 H67 Cl2 Cu2 N11 O12.5 -","- C232.008 H268 Cl8 Cu8 N44 O50 -","4","1","","Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu","Discrimination of cis-trans isomers by dinuclear metal cryptates at physiological pH: selectivity for fumarate vs. maleate.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14092","14099","10.1039/c3dt51501j","","","1.54178","CuKα","","0.1111","0.0749","","","0.1713","0.1964","","","","","","1.039","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7021904","9.4145","0.0001","14.9511","0.0002","29.1625","0.0004","90","","90","","90","","4104.83","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C48 H60 N8 -","- C48 H60 N8 -","- C192 H240 N32 -","4","1","","Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu","Discrimination of cis-trans isomers by dinuclear metal cryptates at physiological pH: selectivity for fumarate vs. maleate.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14092","14099","10.1039/c3dt51501j","","","1.54178","CuKα","","0.0282","0.0276","","","0.0685","0.0691","","","","","","1.057","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021905","12.5972","0.0003","10.0305","0.0003","13.8663","0.0004","90","","94.483","0.001","90","","1746.73","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Mg2 N4 O13 -","- C10 H14 Mg2 N4 O13 -","- C40 H56 Mg8 N16 O52 -","4","0.5","","Saha, Debraj; Maity, Tanmoy; Das, Soma; Koner, Subratanath","A magnesium-based multifunctional metal-organic framework: synthesis, thermally induced structural variation, selective gas adsorption, photoluminescence and heterogeneous catalytic study.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13912","13922","10.1039/c3dt51509e","","","0.71073","MoKα","","0.0425","0.0407","","","0.1086","0.1105","","","","","","1.143","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021906","10.4301","0.0003","16.8918","0.0006","43.8939","0.0014","90","","93.019","0.002","90","","7722.6","0.4","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Cl N O P2 Pd Se -","- C44 H40 Cl N O P2 Pd Se -","- C352 H320 Cl8 N8 O8 P16 Pd8 Se8 -","8","2","","Vivekananda, K. V.; Dey, S.; Wadawale, A.; Bhuvanesh, N.; Jain, V. K.","Syntheses of Pd(ii)/Pt(ii) complexes with non-chelating 4-pyridylselenolate ligand ranging from mononuclear to macrocyclic structures and their utility as catalysts in Suzuki C-C coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14158","14167","10.1039/c3dt51510a","","","1.54178","CuKα","","0.0511","0.0382","","","0.0863","0.0894","","","","","","1.031","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021907","14.432","0.0006","10.6073","0.0005","15.4103","0.0007","90","","105.036","0.001","90","","2278.31","0.18","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H34 Cl N P2 Pt Se -","- C17 H34 Cl N P2 Pt Se -","- C68 H136 Cl4 N4 P8 Pt4 Se4 -","4","1","","Vivekananda, K. V.; Dey, S.; Wadawale, A.; Bhuvanesh, N.; Jain, V. K.","Syntheses of Pd(ii)/Pt(ii) complexes with non-chelating 4-pyridylselenolate ligand ranging from mononuclear to macrocyclic structures and their utility as catalysts in Suzuki C-C coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14158","14167","10.1039/c3dt51510a","","","0.71073","MoKα","","0.0177","0.0162","","","0.0396","0.0405","","","","","","1.057","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021908","10.133","0.0011","12.8723","0.0014","15.0542","0.0016","90","","91.126","0.001","90","","1963.2","0.4","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H38 N2 P2 Pd Se2 -","- C46 H38 N2 P2 Pd Se2 -","- C92 H76 N4 P4 Pd2 Se4 -","2","1","","Vivekananda, K. V.; Dey, S.; Wadawale, A.; Bhuvanesh, N.; Jain, V. K.","Syntheses of Pd(ii)/Pt(ii) complexes with non-chelating 4-pyridylselenolate ligand ranging from mononuclear to macrocyclic structures and their utility as catalysts in Suzuki C-C coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14158","14167","10.1039/c3dt51510a","","","0.71073","MoKα","","0.0485","0.044","","","0.1128","0.1162","","","","","","1.037","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021909","19.975","0.003","9.0763","0.0015","14.38","0.002","90","","90","","90","","2607.1","0.7","110","2","110","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H38 N2 P2 Pt Se2 -","- C22 H38 N2 P2 Pt Se2 -","- C88 H152 N8 P8 Pt4 Se8 -","4","1","","Vivekananda, K. V.; Dey, S.; Wadawale, A.; Bhuvanesh, N.; Jain, V. K.","Syntheses of Pd(ii)/Pt(ii) complexes with non-chelating 4-pyridylselenolate ligand ranging from mononuclear to macrocyclic structures and their utility as catalysts in Suzuki C-C coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14158","14167","10.1039/c3dt51510a","","","0.71073","MoKα","","0.0281","0.0238","","","0.0499","0.0511","","","","","","1.013","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021910","15.7931","0.0008","10.5303","0.0005","21.2888","0.0011","90","","105.65","0.003","90","","3409.2","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N2 O2 P2 Pd Se2 -","- C36 H36 N2 O2 P2 Pd Se2 -","- C144 H144 N8 O8 P8 Pd4 Se8 -","4","1","","Vivekananda, K. V.; Dey, S.; Wadawale, A.; Bhuvanesh, N.; Jain, V. K.","Syntheses of Pd(ii)/Pt(ii) complexes with non-chelating 4-pyridylselenolate ligand ranging from mononuclear to macrocyclic structures and their utility as catalysts in Suzuki C-C coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14158","14167","10.1039/c3dt51510a","","","1.54178","CuKα","","0.0446","0.0347","","","0.0828","0.0848","","","","","","1.051","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021911","10.5487","0.0012","10.7006","0.0013","14.9796","0.0016","91.771","0.009","94.027","0.009","95.391","0.009","1678","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H35 N2 O0.5 P2 Pt Se2 -","- C37 H35 N2 O0.5 P2 Pt Se2 -","- C74 H70 N4 O P4 Pt2 Se4 -","2","1","","Vivekananda, K. V.; Dey, S.; Wadawale, A.; Bhuvanesh, N.; Jain, V. K.","Syntheses of Pd(ii)/Pt(ii) complexes with non-chelating 4-pyridylselenolate ligand ranging from mononuclear to macrocyclic structures and their utility as catalysts in Suzuki C-C coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14158","14167","10.1039/c3dt51510a","","","1.54178","CuKα","","0.0423","0.0373","","","0.1104","0.1151","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021912","14.25","0.0012","13.984","0.006","24.4","0.005","90","","105.33","0.013","90","","4689","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H57 Cl3 N3 P3 Pd3 Se3 -","- C33 H57 Cl3 N3 P3 Pd3 Se3 -","- C132 H228 Cl12 N12 P12 Pd12 Se12 -","4","1","","Vivekananda, K. V.; Dey, S.; Wadawale, A.; Bhuvanesh, N.; Jain, V. K.","Syntheses of Pd(ii)/Pt(ii) complexes with non-chelating 4-pyridylselenolate ligand ranging from mononuclear to macrocyclic structures and their utility as catalysts in Suzuki C-C coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14158","14167","10.1039/c3dt51510a","","","0.71069","MoKα","","0.3474","0.0745","","","0.1409","0.1803","","","","","","0.75","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021913","10.1799","0.0012","14.669","0.0017","14.8568","0.0017","90","","93.405","0.001","90","","2214.6","0.4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 Cl2 N2 P2 Pd2 Se2 -","- C46 H38 Cl2 N2 P2 Pd2 Se2 -","- C92 H76 Cl4 N4 P4 Pd4 Se4 -","2","0.5","","Vivekananda, K. V.; Dey, S.; Wadawale, A.; Bhuvanesh, N.; Jain, V. K.","Syntheses of Pd(ii)/Pt(ii) complexes with non-chelating 4-pyridylselenolate ligand ranging from mononuclear to macrocyclic structures and their utility as catalysts in Suzuki C-C coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14158","14167","10.1039/c3dt51510a","","","0.71073","MoKα","","0.0193","0.0178","","","0.0437","0.0443","","","","","","1.056","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021914","14.501","0.003","24.574","0.003","14.763","0.004","90","","102.72","0.02","90","","5131.6","1.9","298","2","298","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C34 H58 Cl6 N3 P3 Pt3 Se3 -","- C34 H58 Cl6 N3 P3 Pt3 Se3 -","- C136 H232 Cl24 N12 P12 Pt12 Se12 -","4","1","","Vivekananda, K. V.; Dey, S.; Wadawale, A.; Bhuvanesh, N.; Jain, V. K.","Syntheses of Pd(ii)/Pt(ii) complexes with non-chelating 4-pyridylselenolate ligand ranging from mononuclear to macrocyclic structures and their utility as catalysts in Suzuki C-C coupling reaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14158","14167","10.1039/c3dt51510a","","","0.71069","MoKα","","0.3843","0.0696","","","0.1331","0.2161","","","","","","0.886","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021915","13.77","0.0004","13.5622","0.0004","21.6416","0.0006","90","","94.943","0.002","90","","4026.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H38 Cu N4 -","- C54 H38 Cu N4 -","- C216 H152 Cu4 N16 -","4","1","","Servaty, Kathleen; Cauët, Emilie; Thomas, Fabrice; Lambermont, Javiera; Gerbaux, Pascal; De Winter, Julien; Ovaere, Margriet; Volker, Leen; Vaeck, Nathalie; Van Meervelt, Luc; Dehaen, Wim; Moucheron, Cécile; Kirsch-De Mesmaeker, Andrée","Peculiar properties of homoleptic Cu complexes with dipyrromethene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14188","14199","10.1039/c3dt51541a","","","1.54178","CuKα","","0.0524","0.0412","","","0.0988","0.1059","","","","","","1.058","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021916","17.0388","0.0007","15.6229","0.0007","19.7025","0.0007","90","","115.496","0.002","90","","4734","0.3","273","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cu N4 -","- C30 H22 Cu N4 -","- C240 H176 Cu8 N32 -","8","2","","Servaty, Kathleen; Cauët, Emilie; Thomas, Fabrice; Lambermont, Javiera; Gerbaux, Pascal; De Winter, Julien; Ovaere, Margriet; Volker, Leen; Vaeck, Nathalie; Van Meervelt, Luc; Dehaen, Wim; Moucheron, Cécile; Kirsch-De Mesmaeker, Andrée","Peculiar properties of homoleptic Cu complexes with dipyrromethene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14188","14199","10.1039/c3dt51541a","","","1.54178","CuKα","","0.0686","0.0468","","","0.1094","0.1229","","","","","","1.068","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021917","18.9299","0.0005","10.5052","0.0003","21.7918","0.0006","90","","113.925","0.002","90","","3961.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H38 Cu N4 -","- C54 H38 Cu N4 -","- C216 H152 Cu4 N16 -","4","1","","Servaty, Kathleen; Cauët, Emilie; Thomas, Fabrice; Lambermont, Javiera; Gerbaux, Pascal; De Winter, Julien; Ovaere, Margriet; Volker, Leen; Vaeck, Nathalie; Van Meervelt, Luc; Dehaen, Wim; Moucheron, Cécile; Kirsch-De Mesmaeker, Andrée","Peculiar properties of homoleptic Cu complexes with dipyrromethene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14188","14199","10.1039/c3dt51541a","","","1.54178","CuKα","","0.0361","0.0335","","","0.0878","0.0901","","","","","","1.033","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021918","30.6","0.06","7.415","0.014","8.89","0.016","90","","90","","90","","2017","7","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H54 Cu2 N8 O18 -","- C26 H54 Cu2 N8 O18 -","- C52 H108 Cu4 N16 O36 -","2","0.5","","Qin, Xiu Ying; Yang, Li Cong; Le, Fang Ling; Yu, Qian Qian; Sun, Dong Dong; Liu, Ya Nan; Liu, Jie","Structures and anti-cancer properties of two binuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14681","14684","10.1039/c3dt51548f","","","0.71073","MoKα","","0.06","0.0474","","","0.0785","0.0804","","","","","","0.936","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021919","7.3882","0.0005","29.4687","0.0019","8.6809","0.0006","90","","99.775","0.007","90","","1862.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cu2 N4 O12 -","- C36 H42 Cu2 N4 O12 -","- C72 H84 Cu4 N8 O24 -","2","0.5","","Qin, Xiu Ying; Yang, Li Cong; Le, Fang Ling; Yu, Qian Qian; Sun, Dong Dong; Liu, Ya Nan; Liu, Jie","Structures and anti-cancer properties of two binuclear copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14681","14684","10.1039/c3dt51548f","","","0.71073","MoKα","","0.0685","0.0493","","","0.1061","0.1146","","","","","","1.059","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021920","8.948","0.0018","22.429","0.005","11.469","0.002","90","","91.28","0.03","90","","2301.2","0.8","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H19 Cl2 Fe N6 O3 S2 -","- C18 H19 Cl2 Fe N6 O3 S2 -","- C72 H76 Cl8 Fe4 N24 O12 S8 -","4","1","","Li, Zhao-Yang; Dai, Jing-Wei; Gagnon, Kevin J.; Cai, Hong-Ling; Yamamoto, Takashi; Einaga, Yasuaki; Zhao, Han-Hua; Kanegawa, Shinji; Sato, Osamu; Dunbar, Kim R.; Xiong, Ren-Gen","A neutral Fe(iii) compound exhibiting a two-step spin transition and dielectric anomalies.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14685","14688","10.1039/c3dt51554k","","","0.71073","MoKα","","0.1808","0.0837","","","0.1845","0.2389","","","","","","0.962","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021921","8.9606","0.0018","22.354","0.005","11.337","0.002","90","","91.2","0.03","90","","2270.4","0.8","260","2","260","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H19 Cl2 Fe N6 O3 S2 -","- C18 H19 Cl2 Fe N6 O3 S2 -","- C72 H76 Cl8 Fe4 N24 O12 S8 -","4","1","","Li, Zhao-Yang; Dai, Jing-Wei; Gagnon, Kevin J.; Cai, Hong-Ling; Yamamoto, Takashi; Einaga, Yasuaki; Zhao, Han-Hua; Kanegawa, Shinji; Sato, Osamu; Dunbar, Kim R.; Xiong, Ren-Gen","A neutral Fe(iii) compound exhibiting a two-step spin transition and dielectric anomalies.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14685","14688","10.1039/c3dt51554k","","","0.71073","MoKα","","0.1574","0.0786","","","0.1342","0.1743","","","","","","1.129","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021922","8.9434","0.0018","22.298","0.005","11.27","0.002","90","","91.301","0.003","90","","2246.9","0.8","110","2","110","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C18 H19 Cl2 Fe N6 O3 S2 -","- C18 H19 Cl2 Fe N6 O3 S2 -","- C72 H76 Cl8 Fe4 N24 O12 S8 -","4","1","","Li, Zhao-Yang; Dai, Jing-Wei; Gagnon, Kevin J.; Cai, Hong-Ling; Yamamoto, Takashi; Einaga, Yasuaki; Zhao, Han-Hua; Kanegawa, Shinji; Sato, Osamu; Dunbar, Kim R.; Xiong, Ren-Gen","A neutral Fe(iii) compound exhibiting a two-step spin transition and dielectric anomalies.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14685","14688","10.1039/c3dt51554k","","","0.71073","MoKα","","0.0587","0.0486","","","0.1129","0.1191","","","","","","1.027","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021923","5.76","0.0008","7.9251","0.0009","37.318","0.005","90","","90","","90","","1703.5","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Au Cl N4 -","- C17 H16 Au Cl N4 -","- C68 H64 Au4 Cl4 N16 -","4","1","","Kaiser, Manuel; Leitner, Sebastian P.; Hirtenlehner, Christa; List, Manuela; Gerisch, Alexander; Monkowius, Uwe","Azobenzene-functionalized N-heterocyclic carbenes as photochromic ligands in silver(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14749","14756","10.1039/c3dt51565f","","","0.71073","MoKα","","0.0572","0.0512","","","0.1306","0.1335","","","","","","1.12","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021924","14.5077","0.0015","9.0862","0.0008","15.0053","0.0015","90","","90.935","0.004","90","","1977.7","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br N4 -","- C22 H19 Br N4 -","- C88 H76 Br4 N16 -","4","1","","Kaiser, Manuel; Leitner, Sebastian P.; Hirtenlehner, Christa; List, Manuela; Gerisch, Alexander; Monkowius, Uwe","Azobenzene-functionalized N-heterocyclic carbenes as photochromic ligands in silver(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14749","14756","10.1039/c3dt51565f","","","0.71073","MoKα","","0.0459","0.0321","","","0.072","0.0789","","","","","","1.04","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021925","25.965","0.005","12.038","0.002","14.377","0.003","90","","105.212","0.007","90","","4336.3","1.4","205","2","205","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 F6 N4 P -","- C22 H19 F6 N4 P -","- C176 H152 F48 N32 P8 -","8","1","","Kaiser, Manuel; Leitner, Sebastian P.; Hirtenlehner, Christa; List, Manuela; Gerisch, Alexander; Monkowius, Uwe","Azobenzene-functionalized N-heterocyclic carbenes as photochromic ligands in silver(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14749","14756","10.1039/c3dt51565f","","","0.71073","MoKα","","0.062","0.0534","","","0.138","0.1442","","","","","","1.079","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021926","12.734","0.003","13.625","0.002","12.379","0.003","90","","111.712","0.007","90","","1995.4","0.7","205","2","205","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Au Cl N4 -","- C22 H18 Au Cl N4 -","- C88 H72 Au4 Cl4 N16 -","4","1","","Kaiser, Manuel; Leitner, Sebastian P.; Hirtenlehner, Christa; List, Manuela; Gerisch, Alexander; Monkowius, Uwe","Azobenzene-functionalized N-heterocyclic carbenes as photochromic ligands in silver(i) and gold(i) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14749","14756","10.1039/c3dt51565f","","","0.71073","MoKα","","0.0618","0.0405","","","0.0974","0.1063","","","","","","1.058","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021927","15.7594","0.0008","11.2328","0.0005","18.3713","0.0009","90","","105.643","0.002","90","","3131.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H30 Fe -","- C52 H30 Fe -","- C208 H120 Fe4 -","4","1","","Topolinski, Berit; Schmidt, Bernd M.; Higashibayashi, Shuhei; Sakurai, Hidehiro; Lentz, Dieter","Sumanenylferrocenes and their solid state self-assembly.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13809","13812","10.1039/c3dt51569a","","","0.71073","MoKα","","0.089","0.0721","","","0.1677","0.1795","","","","","","1.04","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021928","7.624","0.003","27.809","0.008","9.57","0.003","90","0","102.692","0.004","90","0","1979.4","1.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 Fe -","- C31 H20 Fe -","- C124 H80 Fe4 -","4","1","","Topolinski, Berit; Schmidt, Bernd M.; Higashibayashi, Shuhei; Sakurai, Hidehiro; Lentz, Dieter","Sumanenylferrocenes and their solid state self-assembly.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13809","13812","10.1039/c3dt51569a","","","0.71073","MoKα","","0.1137","0.0947","","","0.187","0.2094","","","","","","1.127","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021929","7.713","0.005","15.765","0.005","26.415","0.005","90","","99.696","0.012","90","","3166","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 As N4 P S4 -","- C32 H20 As N4 P S4 -","- C128 H80 As4 N16 P4 S16 -","4","1","","Mitra, Joyee; Pal, Kuntal; Sarkar, Sabyasachi","Second order non-linear optical activity of arsenic and antimony dithiolene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13905","13911","10.1039/c3dt51585k","","x-ray","0.71069","MoKα","","0.1252","0.0791","","","0.192","0.2391","","","","","","1.028","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021930","12.843","0.005","17.361","0.005","7.026","0.005","90","0.005","90","0.005","90","0.005","1566.6","1.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C32 H20 N4 P S4 Sb -","- C32 H20 N4 P S4 Sb -","- C64 H40 N8 P2 S8 Sb2 -","2","0.5","","Mitra, Joyee; Pal, Kuntal; Sarkar, Sabyasachi","Second order non-linear optical activity of arsenic and antimony dithiolene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13905","13911","10.1039/c3dt51585k","","","0.71069","MoKα","","0.0631","0.042","","","0.0878","0.1273","","","","","","1.188","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021931","11.558","0.0001","8.394","0.0001","16.9605","0.0002","90","","96.287","0.001","90","","1635.58","0.03","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cl N3 O3 Re -","- C17 H11 Cl N3 O3 Re -","- C68 H44 Cl4 N12 O12 Re4 -","4","1","","Vaughan, Jamila G.; Reid, Brodie L.; Ramchandani, Sushil; Wright, Phillip J.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Brown, David H.; Stagni, Stefano; Massi, Massimiliano","The photochemistry of rhenium(i) tricarbonyl N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14100","14114","10.1039/c3dt51614h","","","0.71073","MoKα","","0.0285","0.0174","","","0.0321","0.0329","","","","","","0.883","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021932","11.7834","0.0003","8.4832","0.0003","17.0208","0.0006","90","","96.719","0.003","90","","1689.73","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Br N3 O3 Re -","- C17 H11 Br N3 O3 Re -","- C68 H44 Br4 N12 O12 Re4 -","4","1","","Vaughan, Jamila G.; Reid, Brodie L.; Ramchandani, Sushil; Wright, Phillip J.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Brown, David H.; Stagni, Stefano; Massi, Massimiliano","The photochemistry of rhenium(i) tricarbonyl N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14100","14114","10.1039/c3dt51614h","","","0.71073","MoKα","","0.0409","0.0323","","","0.0591","0.0617","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021933","10.6269","0.0003","11.7796","0.0003","30.7456","0.0005","90","","90.507","0.002","90","","3848.6","0.16","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Cl N3 O3 Re -","- C21 H13 Cl N3 O3 Re -","- C168 H104 Cl8 N24 O24 Re8 -","8","1","","Vaughan, Jamila G.; Reid, Brodie L.; Ramchandani, Sushil; Wright, Phillip J.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Brown, David H.; Stagni, Stefano; Massi, Massimiliano","The photochemistry of rhenium(i) tricarbonyl N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14100","14114","10.1039/c3dt51614h","","","0.71073","MoKα","","0.0522","0.0415","","","0.0694","0.0725","","","","","","1.129","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021934","10.6245","0.0002","11.8726","0.0002","30.9574","0.0004","90","","90.701","0.002","90","","3904.69","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Br N3 O3 Re -","- C21 H13 Br N3 O3 Re -","- C168 H104 Br8 N24 O24 Re8 -","8","1","","Vaughan, Jamila G.; Reid, Brodie L.; Ramchandani, Sushil; Wright, Phillip J.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Brown, David H.; Stagni, Stefano; Massi, Massimiliano","The photochemistry of rhenium(i) tricarbonyl N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14100","14114","10.1039/c3dt51614h","","","0.71073","MoKα","","0.0453","0.0375","","","0.085","0.0884","","","","","","1.087","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021935","13.1652","0.0002","10.7613","0.0001","15.3184","0.0002","90","","110.527","0.002","90","","2032.43","0.05","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Cl N5 O2 Re -","- C20 H17 Cl N5 O2 Re -","- C80 H68 Cl4 N20 O8 Re4 -","4","1","","Vaughan, Jamila G.; Reid, Brodie L.; Ramchandani, Sushil; Wright, Phillip J.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Brown, David H.; Stagni, Stefano; Massi, Massimiliano","The photochemistry of rhenium(i) tricarbonyl N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14100","14114","10.1039/c3dt51614h","","","0.71073","MoKα","","0.0335","0.0273","","","0.057","0.0588","","","","","","1.106","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021936","16.3806","0.0005","12.9573","0.001","12.8904","0.001","90","","100.172","0.004","90","","2693","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Br N3 O5.5 P Re -","- C24 H31 Br N3 O5.5 P Re -","- C96 H124 Br4 N12 O22 P4 Re4 -","4","1","","Vaughan, Jamila G.; Reid, Brodie L.; Ramchandani, Sushil; Wright, Phillip J.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Brown, David H.; Stagni, Stefano; Massi, Massimiliano","The photochemistry of rhenium(i) tricarbonyl N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14100","14114","10.1039/c3dt51614h","","","0.71073","MoKα","","0.0378","0.0316","","","0.0753","0.0783","","","","","","1.072","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021937","8.4078","0.0005","11.7586","0.0006","12.8983","0.0007","98.323","0.004","102.735","0.005","93.632","0.004","1224.7","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 Br N3 O5 P Re -","- C22 H26 Br N3 O5 P Re -","- C44 H52 Br2 N6 O10 P2 Re2 -","2","1","","Vaughan, Jamila G.; Reid, Brodie L.; Ramchandani, Sushil; Wright, Phillip J.; Muzzioli, Sara; Skelton, Brian W.; Raiteri, Paolo; Brown, David H.; Stagni, Stefano; Massi, Massimiliano","The photochemistry of rhenium(i) tricarbonyl N-heterocyclic carbene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14100","14114","10.1039/c3dt51614h","","","0.71073","MoKα","","0.0606","0.0492","","","0.1083","0.1129","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021938","20.012","0.0006","20.012","0.0006","8.1348","0.0002","90","","90","","120","","2821.36","0.14","120","2","120","2","","","","","","","","6","P -3","-P 3","147","","","","- C40.67 H53.33 Li2 N4 Ni O4 -","- C40.76 H48 Li2 N4 Ni O4 -","- C122.28 H144 Li6 N12 Ni3 O12 -","3","0.5","","Stokes, Francesca A.; Vincent, Mark A.; Hillier, Ian H.; Ronson, Tanya K.; Steiner, Alexander; Wheatley, Andrew E. H.; Wood, Paul T.; Wright, Dominic S.","Reactions of Cp2M (M = Ni, V) with dilithium diamido-aryl reagents; retention and oxidation of the transition metal ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13923","13930","10.1039/c3dt51632f","","","0.7107","MoKα","","0.0652","0.0431","","","0.1098","0.1135","","","","","","1.029","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021939","25.7117","0.0006","14.155","0.0004","18.9518","0.0006","90","","119.14","0.001","90","","6024.5","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H82 Li3 N6 O8 V -","- C62 H82 Li3 N6 O8 V -","- C248 H328 Li12 N24 O32 V4 -","4","0.5","","Stokes, Francesca A.; Vincent, Mark A.; Hillier, Ian H.; Ronson, Tanya K.; Steiner, Alexander; Wheatley, Andrew E. H.; Wood, Paul T.; Wright, Dominic S.","Reactions of Cp2M (M = Ni, V) with dilithium diamido-aryl reagents; retention and oxidation of the transition metal ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13923","13930","10.1039/c3dt51632f","","","0.71073","MoKα","","0.115","0.0686","","","0.1828","0.206","","","","","","1.067","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021940","13.2275","0.0003","17.0537","0.0007","16.5692","0.0006","90","","95.948","0.003","90","","3717.5","0.2","","","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C128 H181 Li3 N24 Ni12 O14 -","- C128 Li2.26 N24 Ni12 O14 -","- C128 Li2.26 N24 Ni12 O14 -","1","0.5","","Stokes, Francesca A.; Vincent, Mark A.; Hillier, Ian H.; Ronson, Tanya K.; Steiner, Alexander; Wheatley, Andrew E. H.; Wood, Paul T.; Wright, Dominic S.","Reactions of Cp2M (M = Ni, V) with dilithium diamido-aryl reagents; retention and oxidation of the transition metal ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13923","13930","10.1039/c3dt51632f","","","0.6889","synchrotron","","0.2344","0.1384","","","0.3256","0.3662","","","","","","1.016","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021941","20.1799","0.0012","14.7239","0.0008","6.9459","0.0004","90","","96.932","0.002","90","","2048.7","0.2","100","2","100","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 O3 -","- C22 H36 O3 -","- C88 H144 O12 -","4","1","","Malik, Mohammad Azad; O'Brien, Paul; Tuna, Floriana; Pritchard, Robin; Buchweishaija, Joseph; Kimambo, Elianaso; Mubofu, Egid B.","The synthesis, spectroscopy and X-ray single crystal structure of catena-[(μ-anacardato)-copper(ii)bipyridine][Cu2{(μ-O2CC6H3(o-OH)(o-C15H31)}4(NC5H5)2].","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14438","14444","10.1039/c3dt51634b","","x-ray","0.71073","MoKα","","0.2353","0.0787","","","0.1671","0.2256","","","","","","1.032","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021942","10.8423","0.0005","11.7031","0.0007","19.1273","0.0013","94.023","0.002","92.903","0.002","104.049","0.002","2342.9","0.2","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C98 H150 Cu2 N2 O12 -","- C98 H150 Cu2 N2 O12 -","- C98 H150 Cu2 N2 O12 -","1","0.5","","Malik, Mohammad Azad; O'Brien, Paul; Tuna, Floriana; Pritchard, Robin; Buchweishaija, Joseph; Kimambo, Elianaso; Mubofu, Egid B.","The synthesis, spectroscopy and X-ray single crystal structure of catena-[(μ-anacardato)-copper(ii)bipyridine][Cu2{(μ-O2CC6H3(o-OH)(o-C15H31)}4(NC5H5)2].","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14438","14444","10.1039/c3dt51634b","","x-ray","0.71073","MoKα","","0.19","0.1002","","","0.2138","0.2704","","","","","","1.135","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021943","22.368","0.01","15.69","0.007","14.069","0.007","90","","90.503","0.007","90","","4937","4","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H24 Cl0.54 Mn4 N30.38 O4 -","- C44 H24 Cl0.54 Mn4 N30.38 O4 -","- C176 H96 Cl2.16 Mn16 N121.52 O16 -","4","0.5","","Zhao, Jiong-Peng; Zhao, Ran; Yang, Qian; Hu, Bo-Wen; Liu, Fu-Chen; Bu, Xian-He","Magnetocaloric effect and slow magnetic relaxation in two only azido bridged ferromagnetic tetranuclear metal clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14509","14515","10.1039/c3dt51655e","","","0.71073","MoKα","","0.1272","0.1204","","","0.2856","0.2903","","","","","","1.143","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021944","22.553","0.005","15.665","0.003","14.048","0.003","90","","90.12","0.03","90","","4963","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H24 Co4 N32 O4 -","- C44 H24 Co4 N32 O4 -","- C176 H96 Co16 N128 O16 -","4","0.5","","Zhao, Jiong-Peng; Zhao, Ran; Yang, Qian; Hu, Bo-Wen; Liu, Fu-Chen; Bu, Xian-He","Magnetocaloric effect and slow magnetic relaxation in two only azido bridged ferromagnetic tetranuclear metal clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14509","14515","10.1039/c3dt51655e","","","0.71073","MoKα","","0.1027","0.0953","","","0.2019","0.2051","","","","","","1.225","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021945","10.2136","0.0002","10.3526","0.0002","12.6092","0.0002","83.067","0.001","80.817","0.001","84.888","0.001","1303.23","0.04","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","chisholm1939","","","- C54 H72 Mo2 O10 -","- C54 H72 Mo2 O10 -","- C54 H72 Mo2 O10 -","1","0.5","","Brown-Xu, Samantha E; Chisholm, Malcolm H.; Durr, Christopher B.; Spilker, Thomas F.; Young, Philip J.","Modulating the M2δ-to-ligand charge transfer transition by the use of diarylboron substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14491","14497","10.1039/c3dt51684a","","x-ray","0.71073","MoKα","","0.0775","0.0426","","","0.1005","0.1363","","","","","","1.119","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021946","10.8012","0.0002","18.7802","0.0004","18.7036","0.0004","90","","102.822","0.0012","90","","3699.39","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H99 Cl N2 Pt -","- C87 H99 Cl N2 Pt -","- C174 H198 Cl2 N4 Pt2 -","2","1","","Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood","Reversible insertion of carbon dioxide into Pt(ii)-hydroxo bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14742","14748","10.1039/c3dt51701b","","","0.71073","MoKα","","0.0912","0.0683","","","0.1472","0.1642","","","","","","1.081","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021947","12.8521","0.0002","17.3118","0.0003","18.6475","0.0002","85.2139","0.0008","78.437","0.0008","78.0342","0.0007","3972.62","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H80 N2 O3 Pt -","- C73 H80 N2 O3 Pt -","- C146 H160 N4 O6 Pt2 -","2","1","","Lohr, Tracy L.; Piers, Warren E.; Parvez, Masood","Reversible insertion of carbon dioxide into Pt(ii)-hydroxo bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14742","14748","10.1039/c3dt51701b","","","0.71073","MoKα","","0.0512","0.0424","","","0.1091","0.1139","","","","","","1.092","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021948","8.8647","0.0006","28.4028","0.0015","9.9019","0.0006","90","","93.77","0.004","90","","2487.7","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 F6 N6 P Rh -","- C22 H26 F6 N6 P Rh -","- C88 H104 F24 N24 P4 Rh4 -","4","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.0574","0.0497","","","0.1173","0.1219","","","","","","1.058","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021949","8.7519","0.0005","14.9783","0.0007","31.9899","0.0014","90","","90","","90","","4193.5","0.4","192","2","192","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Ir N5 -","- C23 H26 Ir N5 -","- C184 H208 Ir8 N40 -","8","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.0293","0.0208","","","0.047","0.05","","","","","","1.023","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021950","34.5018","0.0019","7.6323","0.0005","22.3074","0.0015","90","","125.421","0.002","90","","4786.9","0.5","191","2","191","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Cl2 N5 Rh -","- C24 H28 Cl2 N5 Rh -","- C192 H224 Cl16 N40 Rh8 -","8","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.0275","0.0246","","","0.0618","0.0666","","","","","","1.064","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021951","12.9484","0.0006","21.524","0.0009","20.3894","0.0009","90","","108.669","0.001","90","","5383.6","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 F18 N9 P3 Rh2 -","- C44 H52 F18 N9 P3 Rh2 -","- C176 H208 F72 N36 P12 Rh8 -","4","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.0375","0.0319","","","0.0856","0.0883","","","","","","1.085","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021952","13.0022","0.0007","13.3883","0.0008","14.0886","0.0008","71.928","0.003","80.972","0.002","63.631","0.002","2088.4","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H49 F6 N6 P Rh2 -","- C44 H49 F6 N6 P Rh2 -","- C88 H98 F12 N12 P2 Rh4 -","2","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.11","0.0613","","","0.1301","0.1833","","","","","","1.133","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021953","13.8507","0.0012","14.1135","0.0012","14.1254","0.0012","114.573","0.002","96.515","0.003","95.075","0.003","2466.7","0.4","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H61 Cl2 F6 N6 O P Rh2 -","- C49 H49 Cl2 F6 N6 O P Rh2 -","- C98 H98 Cl4 F12 N12 O2 P2 Rh4 -","2","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.054","0.0454","","","0.121","0.1291","","","","","","1.069","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021954","11.6756","0.0008","14.2627","0.0009","14.4068","0.0008","99.704","0.002","111.325","0.002","96.083","0.002","2166","0.2","185","2","185","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H51 B F4 N6.5 O0.25 Rh2 -","- C45 H49 B F4 N6.5 O0.25 Rh2 -","- C90 H98 B2 F8 N13 O0.5 Rh4 -","2","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.049","0.0404","","","0.1029","0.1079","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021955","12.989","0.0004","21.3738","0.0005","20.4689","0.0004","90","","109.311","0.001","90","","5362.9","0.2","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 F18 Ir N9 P3 Rh -","- C44 H52 F18 Ir N9 P3 Rh -","- C176 H208 F72 Ir4 N36 P12 Rh4 -","4","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.0689","0.0477","","","0.1152","0.1354","","","","","","1.126","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021956","26.1251","0.001","26.1251","0.001","14.4637","0.0005","90","","90","","90","","9871.8","0.6","193","2","193","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C43 H51 F12 Ir N7 O P2 Rh -","- C43 H49 F12 Ir N7 O P2 Rh -","- C344 H392 F96 Ir8 N56 O8 P16 Rh8 -","8","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.0536","0.0508","","","0.1371","0.1389","","","","","","1.092","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021957","26.0416","0.0005","26.0416","0.0005","14.3561","0.0003","90","","90","","90","","9735.8","0.3","191","2","191","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C43 H49 F12 Ir N7 P2 Rh -","- C43 H49 F12 Ir N7 P2 Rh -","- C344 H392 F96 Ir8 N56 P16 Rh8 -","8","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.0516","0.0494","","","0.1485","0.1507","","","","","","1.034","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021958","11.6443","0.0009","14.1518","0.0008","14.4628","0.0008","99.082","0.002","111.484","0.003","96.501","0.004","2151.6","0.2","192","2","192","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H51 B F4 Ir N6.5 O0.25 Rh -","- C45 H49 B F4 Ir N6.5 O0.25 Rh -","- C90 H98 B2 F8 Ir2 N13 O0.5 Rh2 -","2","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.0555","0.0463","","","0.1179","0.1241","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7021959","13.7305","0.0004","15.6553","0.0009","18.2761","0.0008","67.466","0.003","76.436","0.002","82.757","0.002","3524.5","0.3","192","2","192","2","","","","","","","","8","P -1","-P 1","2","","","","- C77 H91 B Cl2 Ir N6 O2 Rh -","- C77 H91 B Cl2 Ir N6 O2 Rh -","- C154 H182 B2 Cl4 Ir2 N12 O4 Rh2 -","2","1","","Fang, Ming; Zhao, Hanhua; Prosvirin, Andrey V.; Pinkowicz, Dawid; Zhao, Bin; Cheng, Peng; Wernsdorfer, Wolfgang; Brechin, Euan K.; Dunbar, Kim R.","Squaring the cube: a family of octametallic lanthanide complexes including a Dy8 single-molecule magnet.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14693","14701","10.1039/c3dt51727f","","","0.71075","MoKα","","0.0704","0.056","","","0.1554","0.1664","","","","","","1.077","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021960","9.1045","0.0003","27.3639","0.0009","9.5438","0.0003","90","","94.719","0.002","90","","2369.63","0.13","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","diperchlorato-(2,6-bis([(2-pyridylmethyl)amino]methyl)pyridine) mercury(ii)","","","- C19 H21 Cl2 Hg N5 O8 -","- C19 H21 Cl2 Hg N5 O8 -","- C76 H84 Cl8 Hg4 N20 O32 -","4","1","","Carra, Bradley J.; Berry, Steven M.; Pike, Robert D.; Bebout, Deborah C.","Structure and isomerization comparison of Zn(ii), Cd(ii) and Hg(ii) perchlorate complexes of 2,6-bis([(2-pyridyl-methyl)amino]methyl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14424","14431","10.1039/c3dt51741a","","","1.54178","CuKα","","0.0299","0.0273","","","0.0672","0.0686","","","","","","1.023","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021961","9.1253","0.0003","9.1478","0.0003","15.9271","0.0005","74.25","0.002","81.541","0.002","65.904","0.002","1167.12","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","diperchlorato-(2,6-bis([(2-pyridylmethyl)amino]methyl)pyridine)-cadmium(ii)","","","- C19 H21 Cd Cl2 N5 O8 -","- C19 H21 Cd Cl2 N5 O8 -","- C38 H42 Cd2 Cl4 N10 O16 -","2","1","","Carra, Bradley J.; Berry, Steven M.; Pike, Robert D.; Bebout, Deborah C.","Structure and isomerization comparison of Zn(ii), Cd(ii) and Hg(ii) perchlorate complexes of 2,6-bis([(2-pyridyl-methyl)amino]methyl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14424","14431","10.1039/c3dt51741a","","","1.54178","CuKα","","0.0341","0.0332","","","0.0873","0.0881","","","","","","1.053","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021962","13.9378","0.0009","15.06","0.001","17.7091","0.0011","72.853","0.002","71.471","0.003","64.941","0.003","3136.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 N4 Ni2 O11 P2 -","- C28 H30 N4 Ni2 O11 P2 -","- C112 H120 N16 Ni8 O44 P8 -","4","2","","Zhu, Hui; Huang, Jian; Bao, Song-Song; Ren, Min; Zheng, Li-Min","Racemic metal phosphonates based on 2-phenyl-2-(phosphonomethylamino)acetate.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14075","14080","10.1039/c3dt51742j","","","0.71073","MoKα","","0.0559","0.0503","","","0.1228","0.1238","","","","","","1.051","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021963","10.787","0.019","23.3","0.04","9.916","0.017","90","","116","0.03","90","","2240","7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Co3 N6 O16 P2 -","- C38 H46 Co3 N6 O16 P2 -","- C76 H92 Co6 N12 O32 P4 -","2","0.5","","Zhu, Hui; Huang, Jian; Bao, Song-Song; Ren, Min; Zheng, Li-Min","Racemic metal phosphonates based on 2-phenyl-2-(phosphonomethylamino)acetate.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14075","14080","10.1039/c3dt51742j","","","0.71073","MoKα","","0.1695","0.0688","","","0.1221","0.1495","","","","","","0.978","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021964","14.1124","0.0007","21.6432","0.0013","17.9312","0.0008","90","","97.459","0.004","90","","5430.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 N5 O6 Pb -","- C30 H21 N5 O6 Pb -","- C240 H168 N40 O48 Pb8 -","8","1","","Zhang, Yu; Yuan, Pengfei; Zhu, Yanyan; Li, Gang","Syntheses, crystal structures and thermal properties of six coordination polymers based on 2-(p-methylphenyl)-imidazole dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14776","14785","10.1039/c3dt51747k","","","0.71073","MoKα","","0.0521","0.0318","","","0.0604","0.066","","","","","","0.98","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021965","17.095","0.006","17.095","0.006","16.563","0.006","90","","90","","90","","4840","3","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H18 N4 O8 Pb -","- C24 H18 N4 O8 Pb -","- C192 H144 N32 O64 Pb8 -","8","0.5","","Zhang, Yu; Yuan, Pengfei; Zhu, Yanyan; Li, Gang","Syntheses, crystal structures and thermal properties of six coordination polymers based on 2-(p-methylphenyl)-imidazole dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14776","14785","10.1039/c3dt51747k","","","0.71073","MoKα","","0.0245","0.0174","","","0.0453","0.049","","","","","","1.068","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021966","8.827","0.003","10.047","0.003","14.826","0.005","74.822","0.004","89.136","0.004","73.318","0.004","1213","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 Cd3 N8 O18 -","- C48 H34 Cd3 N8 O18 -","- C48 H34 Cd3 N8 O18 -","1","0.5","","Zhang, Yu; Yuan, Pengfei; Zhu, Yanyan; Li, Gang","Syntheses, crystal structures and thermal properties of six coordination polymers based on 2-(p-methylphenyl)-imidazole dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14776","14785","10.1039/c3dt51747k","","","0.71073","MoKα","","0.061","0.0492","","","0.1309","0.1385","","","","","","1.006","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021967","22.29","0.003","22.29","0.003","15.123","0.003","90","","90","","90","","7514","2","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H40 Cd4 N8 O21 -","- C48 H40 Cd4 N8 O21 -","- C192 H160 Cd16 N32 O84 -","4","0.25","","Zhang, Yu; Yuan, Pengfei; Zhu, Yanyan; Li, Gang","Syntheses, crystal structures and thermal properties of six coordination polymers based on 2-(p-methylphenyl)-imidazole dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14776","14785","10.1039/c3dt51747k","","","0.71073","MoKα","","0.1787","0.0892","","","0.2526","0.2929","","","","","","0.936","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021968","22.143","0.004","22.143","0.004","16.282","0.006","90","","90","","90","","7983","4","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H12 Cd N3 O4 -","- C17 H12 Cd N3 O4 -","- C272 H192 Cd16 N48 O64 -","16","1","","Zhang, Yu; Yuan, Pengfei; Zhu, Yanyan; Li, Gang","Syntheses, crystal structures and thermal properties of six coordination polymers based on 2-(p-methylphenyl)-imidazole dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14776","14785","10.1039/c3dt51747k","","","0.71073","MoKα","","0.0253","0.0236","","","0.0675","0.0688","","","","","","1.046","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021969","19.2934","0.0011","7.3673","0.0004","20.4117","0.0011","90","","101.164","0.005","90","","2846.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H42 Mn3 N10 O16 -","- C58 H42 Mn3 N10 O16 -","- C116 H84 Mn6 N20 O32 -","2","0.5","","Zhang, Yu; Yuan, Pengfei; Zhu, Yanyan; Li, Gang","Syntheses, crystal structures and thermal properties of six coordination polymers based on 2-(p-methylphenyl)-imidazole dicarboxylate.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14776","14785","10.1039/c3dt51747k","","","0.71073","MoKα","","0.0712","0.0514","","","0.1287","0.1394","","","","","","1.052","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021970","11.273","0.003","18.957","0.006","19.482","0.006","91.609","0.006","102.283","0.006","94.418","0.007","4052","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H94 P4 Ru2 S2 -","- C96 H94 P4 Ru2 S2 -","- C192 H188 P8 Ru4 S4 -","2","1","","Xia, Jianlong; Ou, Ya-Ping; Wu, Di; Jin, Guo-Jun; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua","Dithia[3.3]paracyclophane-bridged bimetallic ruthenium acetylide complexes: synthesis, structures and influence of transannular π-π interactions on their electronic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14212","14222","10.1039/c3dt51756j","","","0.71073","MoKα","","0.1713","0.0636","","","0.1044","0.1254","","","","","","0.767","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021971","16.3268","0.0017","26.119","0.004","20.599","0.002","90","","103.128","0.011","90","","8554.7","1.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C101 H98 Cl2 P4 Ru2 S2 -","- C101 H98 Cl2 P4 Ru2 S2 -","- C404 H392 Cl8 P16 Ru8 S8 -","4","1","","Xia, Jianlong; Ou, Ya-Ping; Wu, Di; Jin, Guo-Jun; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua","Dithia[3.3]paracyclophane-bridged bimetallic ruthenium acetylide complexes: synthesis, structures and influence of transannular π-π interactions on their electronic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14212","14222","10.1039/c3dt51756j","","","0.71073","MoKα","","0.112","0.0659","","","0.1308","0.1474","","","","","","1.052","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021972","10.1443","0.0013","12.1037","0.0016","14.857","0.002","68.192","0.002","83.565","0.002","74.557","0.002","1632.3","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 Dy3 O25 -","- C30 H23 Dy3 O25 -","- C60 H46 Dy6 O50 -","2","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Zhao, Bin","Several (4,4)- and (5,6,8)-connected lanthanide-organic frameworks: structures, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14786","14793","10.1039/c3dt51769a","","","0.71075","MoKα","","0.082","0.0565","","","0.0971","0.1058","","","","","","1.075","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021973","10.127","0.002","12.181","0.002","14.963","0.003","68.5","0.03","84.11","0.03","74.81","0.03","1657.3","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 Eu3 O25 -","- C30 H23 Eu3 O25 -","- C60 H46 Eu6 O50 -","2","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Zhao, Bin","Several (4,4)- and (5,6,8)-connected lanthanide-organic frameworks: structures, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14786","14793","10.1039/c3dt51769a","","","0.71073","MoKα","","0.061","0.0446","","","0.0831","0.0882","","","","","","1.044","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021974","10.1254","0.0007","12.2074","0.0009","14.8622","0.001","68.646","0.007","84.59","0.006","75.209","0.006","1654.2","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 Gd3 O25 -","- C30 H23 Gd3 O25 -","- C60 H46 Gd6 O50 -","2","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Zhao, Bin","Several (4,4)- and (5,6,8)-connected lanthanide-organic frameworks: structures, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14786","14793","10.1039/c3dt51769a","","","0.71073","MoKα","","0.029","0.0246","","","0.0585","0.0602","","","","","","1.005","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021975","10.191","0.002","12.122","0.002","14.884","0.003","68.13","0.03","83.47","0.03","74.45","0.03","1643.7","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 Ho3 O25 -","- C30 H23 Ho3 O25 -","- C60 H46 Ho6 O50 -","2","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Zhao, Bin","Several (4,4)- and (5,6,8)-connected lanthanide-organic frameworks: structures, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14786","14793","10.1039/c3dt51769a","","","0.71073","MoKα","","0.0295","0.0251","","","0.0605","0.0618","","","","","","1.051","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021976","8.9671","0.0004","9.1124","0.0006","9.7614","0.0005","74.932","0.005","68.329","0.005","69.519","0.005","686.51","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 O11 Pr -","- C10 H13 O11 Pr -","- C20 H26 O22 Pr2 -","2","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Zhao, Bin","Several (4,4)- and (5,6,8)-connected lanthanide-organic frameworks: structures, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14786","14793","10.1039/c3dt51769a","","","0.71073","MoKα","","0.0378","0.0336","","","0.0665","0.0699","","","","","","1.003","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021977","10.1361","0.0008","12.1778","0.001","14.8005","0.0011","68.768","0.007","84.392","0.006","75.241","0.007","1646.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H23 O25 Tb3 -","- C30 H23 O25 Tb3 -","- C60 H46 O50 Tb6 -","2","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Zhao, Bin","Several (4,4)- and (5,6,8)-connected lanthanide-organic frameworks: structures, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14786","14793","10.1039/c3dt51769a","","","0.71073","MoKα","","0.0291","0.0239","","","0.0561","0.0576","","","","","","1.047","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021978","14.093","0.003","18.89","0.004","19.669","0.004","90","","90","","90","","5236.2","1.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H76 Dy4 N4 O26 -","- C38 H76 Dy4 N4 O26 -","- C152 H304 Dy16 N16 O104 -","4","0.5","","Liu, Cai-Ming; Zhang, De-Qing; Zhu, Dao-Ben","A single-molecule magnet featuring a parallelogram [Dy4(OCH2-)4] core and two magnetic relaxation processes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14813","14818","10.1039/c3dt51785c","","","0.71073","MoKα","","0.0363","0.0343","","","0.0716","0.0726","","","","","","1.188","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021979","14.7246","0.0004","15.2002","0.0004","21.1551","0.0006","103.022","0.001","107.119","0.001","91.267","0.001","4388.8","0.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H84 Br4 Cu11 F6 O12 P7 S12 -","- C36 H84 Br4 Cu11 F6 O12 P7 S12 -","- C72 H168 Br8 Cu22 F12 O24 P14 S24 -","2","1","","Li, Bing; Liao, Jian-Hong; Tang, Hao-Tsan; Li, Yi-Juan; Liu, C. W.","Substitution reactions on a hypercoordinated main-group element encapsulated in a pentacapped trigonal prismatic copper cage.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14384","14387","10.1039/c3dt51835c","","","0.71073","MoKα","","0.047","0.0373","","","0.1108","0.1162","","","","","","1.079","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021980","17.6202","0.0004","21.3395","0.0005","21.0229","0.0004","90","","95.715","0.001","90","","7865.5","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H84 Br3 Cu11 O12 P6 S13 -","- C36 H84 Br3 Cu11 O12 P6 S13 -","- C144 H336 Br12 Cu44 O48 P24 S52 -","4","1","","Li, Bing; Liao, Jian-Hong; Tang, Hao-Tsan; Li, Yi-Juan; Liu, C. W.","Substitution reactions on a hypercoordinated main-group element encapsulated in a pentacapped trigonal prismatic copper cage.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14384","14387","10.1039/c3dt51835c","","","0.71073","MoKα","","0.0562","0.0407","","","0.1024","0.1129","","","","","","1.019","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021981","37.6","0.004","17.9079","0.0017","27.46","0.003","90","","104.703","0.002","90","","17884","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H84 Cu11 I3 O12 P6 S13 -","- C36 H84 Cu11 I3 O12 P6 S13 -","- C288 H672 Cu88 I24 O96 P48 S104 -","8","1","","Li, Bing; Liao, Jian-Hong; Tang, Hao-Tsan; Li, Yi-Juan; Liu, C. W.","Substitution reactions on a hypercoordinated main-group element encapsulated in a pentacapped trigonal prismatic copper cage.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14384","14387","10.1039/c3dt51835c","","","0.71073","MoKα","","0.0403","0.0351","","","0.0843","0.0867","","","","","","1.035","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021982","10.2878","0.0003","13.7254","0.0005","14.8599","0.0005","107.893","0.003","103.008","0.003","94.397","0.003","1921.34","0.12","173","","173","","","","","","","","","5","P 1","P 1","1","","","","- C64 H86 Cu2 N20 O33 -","- C60 H64 Cu2 N20 O26 -","- C60 H64 Cu2 N20 O26 -","1","1","","Ghosh, Sushobhan; Silber, Georg T.; White, Andrew J. P.; Robertson, Neil; Vilar, Ramon","Synthesis of a self-assembled copper(ii) metallo-rectangle with a guanosine-substituted terpyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13813","13816","10.1039/c3dt51845k","","","1.54184","CuKα","","0.0559","0.0495","","","0.1327","0.1395","","","","","","1.04","","","","has coordinates,has disorder","179924","2020-10-21","18:00:00",""
"7021983","18.5153","0.0003","18.5153","0.0003","25.0576","0.0007","90","","90","","90","","8590.2","0.3","173","","173","","","","","","","","","7","P 42/m n m","-P 4n 2n","136","","","","- C122 H187 Cl Cu4 N54 O22 Si2 -","- C58 H32 Cl Cu4 N32 O4 Si2 -","- C116 H64 Cl2 Cu8 N64 O8 Si4 -","2","0.125","","Timokhin, Ivan; Baguña Torres, Júlia; White, Andrew J. P.; Lickiss, Paul D.; Pettinari, Claudio; Davies, Robert P.","Organosilicon linkers in metal organic frameworks: the tetrahedral tetrakis(4-tetrazolylphenyl)silane ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13806","13808","10.1039/c3dt51863a","","","1.54184","CuKα","","0.0579","0.0482","","","0.1331","0.1396","","","","","","0.947","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021984","14.0956","0.0004","24.0968","0.0007","26.5567","0.0008","76.758","0.002","74.883","0.002","82.741","0.002","8455.2","0.4","150.01","0.16","150.01","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C94 H195 Gd8 N2 O47 P6 -","- C94 H195 Gd8 N2 O47 P6 -","- C188 H390 Gd16 N4 O94 P12 -","2","1","","Zangana, Karzan H.; Pineda, Eufemio Moreno; Schnack, Jürgen; Winpenny, Richard E. P.","Octametallic 4f-phosphonate horseshoes.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14045","14048","10.1039/c3dt52086b","","","0.7107","MoKα","","0.0998","0.064","","","0.1503","0.1717","","","","","","1.033","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021985","14.0342","0.0007","24.0928","0.0011","26.4594","0.0012","76.727","0.004","75.084","0.004","82.955","0.004","8394.9","0.7","150.05","0.16","150.05","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C94 H195 N2 O47 P6 Tb8 -","- C94 H195 N2 O47 P6 Tb8 -","- C188 H390 N4 O94 P12 Tb16 -","2","1","","Zangana, Karzan H.; Pineda, Eufemio Moreno; Schnack, Jürgen; Winpenny, Richard E. P.","Octametallic 4f-phosphonate horseshoes.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14045","14048","10.1039/c3dt52086b","","","0.7107","MoKα","","0.1687","0.0782","","","0.1568","0.2034","","","","","","0.947","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021986","14.0658","0.0003","24.0994","0.0006","26.4957","0.0006","76.637","0.002","75.3","0.002","83.1827","0.0019","8435","0.4","128.35","0.1","128.35","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C94 H196 Dy8 N2 O47 P6 -","- C94 H196 Dy8 N2 O47 P6 -","- C188 H392 Dy16 N4 O94 P12 -","2","1","","Zangana, Karzan H.; Pineda, Eufemio Moreno; Schnack, Jürgen; Winpenny, Richard E. P.","Octametallic 4f-phosphonate horseshoes.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14045","14048","10.1039/c3dt52086b","","","0.7107","MoKα","","0.084","0.0499","","","0.1106","0.1293","","","","","","1.027","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021987","14.2687","0.0006","18.5947","0.0009","15.3116","0.0007","90","","103.81","0.002","90","","3945.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N10 S5 U -","- C33 H36 N10 S5 U -","- C132 H144 N40 S20 U4 -","4","1","","Hashem, Emtithal; Lorusso, Giulia; Evangelisti, Marco; McCabe, Thomas; Schulzke, Carola; Platts, James A.; Baker, Robert J.","Fingerprinting the oxidation state of U(iv) by emission spectroscopy.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14677","14680","10.1039/c3dt52151f","","","1.54178","CuKα","","0.042","0.0416","","","0.1047","0.1052","","","","","","1.131","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021988","13.8655","0.0011","15.0021","0.0012","22.855","0.0018","90","","90","","90","","4754.1","0.7","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C46 H66 N4 O3 Si2 Zn -","- C46 H66 N4 O3 Si2 Zn -","- C184 H264 N16 O12 Si8 Zn4 -","4","1","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of tris(2-pyridonyl)methyl complexes of zinc and thallium: a new class of metallacarbatranes and a monovalent thallium alkyl compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14053","14057","10.1039/c3dt52163j","","","0.71073","MoKα","","0.0536","0.0361","","","0.0797","0.0877","","","","","","1.019","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021989","11.9498","0.0015","10.7516","0.0013","21.365","0.003","90","","92.803","0.002","90","","2741.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 N3 O3 Tl -","- C28 H36 N3 O3 Tl -","- C112 H144 N12 O12 Tl4 -","4","1","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of tris(2-pyridonyl)methyl complexes of zinc and thallium: a new class of metallacarbatranes and a monovalent thallium alkyl compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14053","14057","10.1039/c3dt52163j","","","0.71073","MoKα","","0.0522","0.0319","","","0.072","0.0784","","","","","","1.03","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7021990","11.8366","0.0015","18.801","0.002","12.2176","0.0016","90","","106.441","0.002","90","","2607.7","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H37 N3 O3 -","- C28 H37 N3 O3 -","- C112 H148 N12 O12 -","4","1","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of tris(2-pyridonyl)methyl complexes of zinc and thallium: a new class of metallacarbatranes and a monovalent thallium alkyl compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14053","14057","10.1039/c3dt52163j","","","0.71073","MoKα","","0.0983","0.0569","","","0.1401","0.1628","","","","","","1.023","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021991","14.5805","0.0016","14.0968","0.0015","24.168","0.003","90","","93.703","0.002","90","","4957.1","1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H57 Cl8 N3 O4 Zn -","- C42 H57 Cl8 N3 O4 Zn -","- C168 H228 Cl32 N12 O16 Zn4 -","4","1","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of tris(2-pyridonyl)methyl complexes of zinc and thallium: a new class of metallacarbatranes and a monovalent thallium alkyl compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14053","14057","10.1039/c3dt52163j","","","0.71073","MoKα","","0.1269","0.069","","","0.1524","0.1723","","","","","","1.133","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021992","10.347","0.003","10.513","0.003","15.117","0.005","102.776","0.005","105.658","0.005","97.886","0.005","1509.9","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H40 N4 O4 Si2 Zn -","- C26 H40 N4 O4 Si2 Zn -","- C52 H80 N8 O8 Si4 Zn2 -","2","1","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of tris(2-pyridonyl)methyl complexes of zinc and thallium: a new class of metallacarbatranes and a monovalent thallium alkyl compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14053","14057","10.1039/c3dt52163j","","","0.71073","MoKα","","0.1087","0.0508","","","0.0768","0.0905","","","","","","1.002","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021993","15.486","0.003","15.486","0.003","5.0769","0.0011","90","","90","","120","","1054.4","0.4","125","2","125","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C16 H13 N3 O3 -","- C16 H13 N3 O3 -","- C48 H39 N9 O9 -","3","0.333333","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of tris(2-pyridonyl)methyl complexes of zinc and thallium: a new class of metallacarbatranes and a monovalent thallium alkyl compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14053","14057","10.1039/c3dt52163j","","","0.71073","MoKα","","0.0451","0.0404","","","0.1037","0.1063","","","","","","1.06","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021994","15.492","0.004","15.492","0.004","19.782","0.005","90","","90","","120","","4111.6","1.8","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H36 N3 O3 Tl -","- C28 H36 N3 O3 Tl -","- C168 H216 N18 O18 Tl6 -","6","0.333333","","Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard","Synthesis and structural characterization of tris(2-pyridonyl)methyl complexes of zinc and thallium: a new class of metallacarbatranes and a monovalent thallium alkyl compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14053","14057","10.1039/c3dt52163j","","","0.71073","MoKα","","0.0508","0.0383","","","0.0873","0.0927","","","","","","1.03","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7021995","19.246","0.002","14.0507","0.0015","22.037","0.003","90","","90","","90","","5959.2","1.2","90","0.5","90","0.5","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C56 H64 Cl4 Cu2 N20 O4 -","- C50 H50 Cl4 Cu2 N18 O2 -","- C200 H200 Cl16 Cu8 N72 O8 -","4","","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Cyclic pyridyltriazole-Cu(ii) dimers as supramolecular hosts.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14064","14067","10.1039/c3dt52208c","","","0.71073","MoKα","","0.0691","0.0455","","","0.1128","0.1203","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021996","11.904","0.002","12.344","0.002","14.031","0.003","92.315","0.009","91.163","0.009","105.201","0.008","1987","0.6","100","0.5","100","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C35.59 H48.44 Cl4 Cu2 N11.09 O2.17 -","- C28 H30 Cl4 Cu2 N10 -","- C56 H60 Cl8 Cu4 N20 -","2","1","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Cyclic pyridyltriazole-Cu(ii) dimers as supramolecular hosts.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14064","14067","10.1039/c3dt52208c","","","1.54184","CuKα","","0.055","0.0434","","","0.1164","0.1211","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7021997","12.8788","0.0014","13.7253","0.0014","25.452","0.003","83.482","0.007","87.955","0.008","88.596","0.007","4466.2","0.9","95","0.5","95","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C73 H91 Cu2 F24 N23 O8 P4 -","- C73 H91 Cu2 F24 N23 O8 P4 -","- C146 H182 Cu4 F48 N46 O16 P8 -","2","1","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Cyclic pyridyltriazole-Cu(ii) dimers as supramolecular hosts.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14064","14067","10.1039/c3dt52208c","","","1.54184","CuKα","","0.1474","0.0766","","","0.1869","0.2148","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021998","13.0571","0.0011","14.5591","0.0012","24.932","0.002","88.774","0.003","86.565","0.003","81.906","0.003","4683.5","0.7","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C77.65 H99.85 Cu2 F24 N24.55 O7.55 P4 -","- C73 H89 Cu2 F24 N23 O6 P4 -","- C146 H178 Cu4 F48 N46 O12 P8 -","2","1","","Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.","Cyclic pyridyltriazole-Cu(ii) dimers as supramolecular hosts.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14064","14067","10.1039/c3dt52208c","","","1.54184","CuKα","","0.0792","0.0757","","","0.21","0.2136","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7021999","11.2266","0.001","11.408","0.001","12.5302","0.0011","65.046","0.001","75.784","0.002","89.781","0.002","1401.3","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 Ni P2 -","- C32 H34 N2 Ni P2 -","- C64 H68 N4 Ni2 P4 -","2","1","","Porter, Tyler M.; Hall, Gabriel B.; Groy, Thomas L.; Trovitch, Ryan J.","Importance of co-donor field strength in the preparation of tetradentate α-diimine nickel hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14689","14692","10.1039/c3dt52419a","","","0.71073","MoKα","","0.0695","0.0484","","","0.096","0.1064","","","","","","1.027","","","","has coordinates","179924","2020-10-21","18:00:00",""
"7022000","7.7544","0.0006","11.1974","0.0008","17.6096","0.0013","88.05","0.003","87.795","0.003","71.604","0.004","1449.43","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N2 Ni P2 -","- C34 H38 N2 Ni P2 -","- C68 H76 N4 Ni2 P4 -","2","1","","Porter, Tyler M.; Hall, Gabriel B.; Groy, Thomas L.; Trovitch, Ryan J.","Importance of co-donor field strength in the preparation of tetradentate α-diimine nickel hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14689","14692","10.1039/c3dt52419a","","","0.71073","MoKα","","0.0379","0.0298","","","0.0658","0.0725","","","","","","1.048","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022001","9.3548","0.0008","20.4687","0.0017","17.6111","0.0015","90","","94.424","0.002","90","","3362.1","0.5","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H44 N8 Ni -","- C36 H44 N8 Ni -","- C144 H176 N32 Ni4 -","4","0.5","","Porter, Tyler M.; Hall, Gabriel B.; Groy, Thomas L.; Trovitch, Ryan J.","Importance of co-donor field strength in the preparation of tetradentate α-diimine nickel hydrosilylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14689","14692","10.1039/c3dt52419a","","","0.71073","MoKα","","0.0751","0.0457","","","0.0845","0.0946","","","","","","1.031","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022002","10.2513","0.0009","11.083","0.0009","11.6691","0.001","62.187","0.001","89.257","0.002","77.994","0.002","1141.54","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H66 K2 N4 O2 -","- C44 H66 K2 N4 O2 -","- C44 H66 K2 N4 O2 -","1","0.5","","Ku, Ka Wai; Au, Chi Wai; Chan, Hoi-Shan; Lee, Hung Kay","Divalent europium and ytterbium complexes supported by a bulky 2-pyridyl amido ligand: synthesis, structure and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2841","2852","10.1039/c2dt30333g","","","0.71073","MoKα","","0.0722","0.052","","","0.1368","0.1517","","","","","","1.028","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022003","11.87","0.002","13.542","0.002","22.292","0.004","98.072","0.003","99.164","0.003","112.94","0.003","3176","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H77 Eu K N6 O -","- C58 H77 Eu K N6 O -","- C116 H154 Eu2 K2 N12 O2 -","2","1","","Ku, Ka Wai; Au, Chi Wai; Chan, Hoi-Shan; Lee, Hung Kay","Divalent europium and ytterbium complexes supported by a bulky 2-pyridyl amido ligand: synthesis, structure and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2841","2852","10.1039/c2dt30333g","","","0.71073","MoKα","","0.0582","0.0434","","","0.099","0.1051","","","","","","0.976","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022004","10.4629","0.0017","12.0079","0.0019","20.892","0.003","92.854","0.003","90.43","0.003","110.628","0.002","2452.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45.75 H64 N4 O2 Yb -","- C45.75 H63.75 N4 O2 Yb -","- C91.5 H127.5 N8 O4 Yb2 -","2","1","","Ku, Ka Wai; Au, Chi Wai; Chan, Hoi-Shan; Lee, Hung Kay","Divalent europium and ytterbium complexes supported by a bulky 2-pyridyl amido ligand: synthesis, structure and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2841","2852","10.1039/c2dt30333g","","","0.71073","MoKα","","0.0554","0.0448","","","0.118","0.124","","","","","","1.03","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022005","12.673","0.002","12.673","0.002","18.424","0.003","90","","90","","120","","2562.6","0.7","293","2","293","2","","","","","","","","4","P -3","-P 3","147","","","","- C54 H69 N6 Sm -","- C54 H69 N6 Sm -","- C108 H138 N12 Sm2 -","2","0.333333","","Ku, Ka Wai; Au, Chi Wai; Chan, Hoi-Shan; Lee, Hung Kay","Divalent europium and ytterbium complexes supported by a bulky 2-pyridyl amido ligand: synthesis, structure and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2841","2852","10.1039/c2dt30333g","","","0.71073","MoKα","","0.0451","0.0336","","","0.0846","0.1025","","","","","","1.143","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022006","12.6538","0.0008","12.6538","0.0008","18.4222","0.0012","90","","90","","120","","2554.5","0.3","293","2","293","2","","","","","","","","4","P -3","-P 3","147","","","","- C54 H69 Eu N6 -","- C54 H69 Eu N6 -","- C108 H138 Eu2 N12 -","2","0.333333","","Ku, Ka Wai; Au, Chi Wai; Chan, Hoi-Shan; Lee, Hung Kay","Divalent europium and ytterbium complexes supported by a bulky 2-pyridyl amido ligand: synthesis, structure and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2841","2852","10.1039/c2dt30333g","","","0.71073","MoKα","","0.0275","0.0221","","","0.0569","0.0591","","","","","","1.069","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022007","19.2421","0.0005","12.6237","0.0003","17.8425","0.0004","90","","100.408","0.001","90","","4262.75","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 I N4 O Yb -","- C40 H54 I N4 O Yb -","- C160 H216 I4 N16 O4 Yb4 -","4","1","","Ku, Ka Wai; Au, Chi Wai; Chan, Hoi-Shan; Lee, Hung Kay","Divalent europium and ytterbium complexes supported by a bulky 2-pyridyl amido ligand: synthesis, structure and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2841","2852","10.1039/c2dt30333g","","","0.71073","MoKα","","0.03","0.0253","","","0.0629","0.0647","","","","","","1.055","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022008","12.576","0.002","12.576","0.002","18.465","0.003","90","","90","","120","","2529.1","0.7","296","2","296","2","","","","","","","","4","P -3","-P 3","147","","","","- C54 H69 N6 Yb -","- C54 H69 N6 Yb -","- C108 H138 N12 Yb2 -","2","0.333333","","Ku, Ka Wai; Au, Chi Wai; Chan, Hoi-Shan; Lee, Hung Kay","Divalent europium and ytterbium complexes supported by a bulky 2-pyridyl amido ligand: synthesis, structure and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2841","2852","10.1039/c2dt30333g","","","0.71073","MoKα","","0.067","0.0584","","","0.1525","0.1577","","","","","","1.219","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022009","16.7526","0.0005","26.7988","0.0008","16.5905","0.0005","90","","90","","90","","7448.3","0.4","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C68 H72 F12 N4 O12 Zn4 -","- C68 H72 F12 N4 O12 Zn4 -","- C272 H288 F48 N16 O48 Zn16 -","4","0.5","","Abtab, Sk Md Towsif; Audhya, Anandalok; Kundu, Nabanita; Samanta, Swarna Kamal; Sardar, Pinki Saha; Butcher, Ray J.; Ghosh, Sanjib; Chaudhury, Muktimoy","Tetranuclear homo- (Zn(II)4 and Cd(II)4) and hetero-metal (Zn(II)2Tb(III)2 and Cd(II)2Tb(III)2) complexes with a pair of carboxylate ligands in a rare η2:η2:μ4-bridging mode: syntheses, structures and emission properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1848","1861","10.1039/c2dt30347g","","","0.71073","MoKα","","0.0812","0.0435","","","0.1053","0.1141","","","","","","1.087","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022010","12.4834","0.0005","31.2286","0.0014","23.0942","0.001","90","","100.656","0.002","90","","8847.8","0.7","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C78 H74 F24 N4 O16 Tb2 Zn2 -","- C78 H74 F24 N4 O16 Tb2 Zn2 -","- C312 H296 F96 N16 O64 Tb8 Zn8 -","4","1","","Abtab, Sk Md Towsif; Audhya, Anandalok; Kundu, Nabanita; Samanta, Swarna Kamal; Sardar, Pinki Saha; Butcher, Ray J.; Ghosh, Sanjib; Chaudhury, Muktimoy","Tetranuclear homo- (Zn(II)4 and Cd(II)4) and hetero-metal (Zn(II)2Tb(III)2 and Cd(II)2Tb(III)2) complexes with a pair of carboxylate ligands in a rare η2:η2:μ4-bridging mode: syntheses, structures and emission properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1848","1861","10.1039/c2dt30347g","","","0.71073","MoKα","","0.0607","0.0444","","","0.1095","0.1177","","","","","","1.012","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022011","16.7645","0.0007","28.2743","0.0012","18.2405","0.0008","90","","90","","90","","8646.1","0.6","150","2","150","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C78 H74 Cd2 F24 N4 O16 Tb2 -","- C78 H74 Cd2 F24 N4 O16 Tb2 -","- C312 H296 Cd8 F96 N16 O64 Tb8 -","4","0.5","","Abtab, Sk Md Towsif; Audhya, Anandalok; Kundu, Nabanita; Samanta, Swarna Kamal; Sardar, Pinki Saha; Butcher, Ray J.; Ghosh, Sanjib; Chaudhury, Muktimoy","Tetranuclear homo- (Zn(II)4 and Cd(II)4) and hetero-metal (Zn(II)2Tb(III)2 and Cd(II)2Tb(III)2) complexes with a pair of carboxylate ligands in a rare η2:η2:μ4-bridging mode: syntheses, structures and emission properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1848","1861","10.1039/c2dt30347g","","","0.71073","MoKα","","0.1115","0.0556","","","0.147","0.1682","","","","","","1.081","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022012","11.934","0.006","13.083","0.007","13.46","0.007","114.084","0.002","99.385","0.004","111.686","0.005","1656.3","1.5","93","2","93","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H70 Cl2 N2 O3 P4 Pd2 Te2 -","- C66 H64 Cl2 N2 O3 P4 Pd2 Te2 -","- C66 H64 Cl2 N2 O3 P4 Pd2 Te2 -","1","0.5","","Chauhan, Rohit Singh; Kedarnath, G.; Wadawale, Amey; Slawin, Alexandra M. Z.; Jain, Vimal K.","Reactivity of 2-chalcogenopyridines with palladium-phosphine complexes: isolation of different complexes depending on the nature of chalcogen atom and phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","259","269","10.1039/c2dt30535f","","","0.71073","MoKα","","0.0945","0.0657","","","0.1577","0.1727","","","","","","1.1","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022013","6.804","0.002","7.5995","0.0014","7.7209","0.0004","63.64","0.03","66.9","0.03","86.84","0.04","325.58","0.18","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 N2 Te2 -","- C12 H12 N2 Te2 -","- C12 H12 N2 Te2 -","1","0.5","","Chauhan, Rohit Singh; Kedarnath, G.; Wadawale, Amey; Slawin, Alexandra M. Z.; Jain, Vimal K.","Reactivity of 2-chalcogenopyridines with palladium-phosphine complexes: isolation of different complexes depending on the nature of chalcogen atom and phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","259","269","10.1039/c2dt30535f","","","0.71073","MoKα","","0.0427","0.0339","","","0.0977","0.1449","","","","","","1.275","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022014","17","0.014","10.775","0.004","15.631","0.015","90","","115.51","0.06","90","","2584","4","298","2","298","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C24 H21 Cl3 N P Pd Te -","- C24 H21 Cl3 N P Pd Te -","- C96 H84 Cl12 N4 P4 Pd4 Te4 -","4","1","","Chauhan, Rohit Singh; Kedarnath, G.; Wadawale, Amey; Slawin, Alexandra M. Z.; Jain, Vimal K.","Reactivity of 2-chalcogenopyridines with palladium-phosphine complexes: isolation of different complexes depending on the nature of chalcogen atom and phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","259","269","10.1039/c2dt30535f","","","0.71069","MoKα","","0.3597","0.072","","","0.0929","0.1452","","","","","","0.9","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022015","14.2448","0.0004","18.8456","0.0006","18.9875","0.0005","81.392","0.002","83.613","0.002","69.894","0.003","4722.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C168 H162 Cl21 P12 Pd6 Te4 -","- C168 H162 Cl21 P12 Pd6 Te4 -","- C168 H162 Cl21 P12 Pd6 Te4 -","1","0.5","","Chauhan, Rohit Singh; Kedarnath, G.; Wadawale, Amey; Slawin, Alexandra M. Z.; Jain, Vimal K.","Reactivity of 2-chalcogenopyridines with palladium-phosphine complexes: isolation of different complexes depending on the nature of chalcogen atom and phosphine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","259","269","10.1039/c2dt30535f","","","0.71073","MoKα","","0.1837","0.0958","","","0.1997","0.2258","","","","","","1.177","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022016","9.187","0.006","10.264","0.006","12.987","0.008","76.354","0.009","74.315","0.009","89.607","0.009","1143.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Cl4 Cu2 N10 O8 -","- C40 H54 Cl4 Cu2 N10 O8 -","- C40 H54 Cl4 Cu2 N10 O8 -","1","0.5","","Banerjee, Ishita; Samanta, Pabitra Narayan; Das, Kalyan Kumar; Ababei, Rodica; Kalisz, Marguerite; Girard, Adrien; Mathonière, Corine; Nethaji, M.; Clérac, Rodolphe; Ali, Mahammad","Air oxygenation chemistry of 4-TBC catalyzed by chloro bridged dinuclear copper(II) complexes of pyrazole based tridentate ligands: synthesis, structure, magnetic and computational studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1879","1892","10.1039/c2dt30983a","","","0.71073","MoKα","","0.0844","0.0623","","","0.1715","0.1938","","","","","","0.909","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022017","9.1275","0.0012","10.1836","0.0014","13.1067","0.0018","75.73","0.002","73.331","0.002","89.528","0.002","1128.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 Cl6 Cu2 N10 O8 -","- C38 H48 Cl6 Cu2 N10 O8 -","- C38 H48 Cl6 Cu2 N10 O8 -","1","0.5","","Banerjee, Ishita; Samanta, Pabitra Narayan; Das, Kalyan Kumar; Ababei, Rodica; Kalisz, Marguerite; Girard, Adrien; Mathonière, Corine; Nethaji, M.; Clérac, Rodolphe; Ali, Mahammad","Air oxygenation chemistry of 4-TBC catalyzed by chloro bridged dinuclear copper(II) complexes of pyrazole based tridentate ligands: synthesis, structure, magnetic and computational studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1879","1892","10.1039/c2dt30983a","","","0.71073","MoKα","","0.0364","0.0325","","","0.1014","0.1076","","","","","","0.695","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022018","8.427","","21.205","","12.694","","90","","96.68","","90","","2252.95","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 Cl4 Cu2 N10 O8 -","- C38 H50 Cl4 Cu2 N10 O8 -","- C76 H100 Cl8 Cu4 N20 O16 -","2","0.5","","Banerjee, Ishita; Samanta, Pabitra Narayan; Das, Kalyan Kumar; Ababei, Rodica; Kalisz, Marguerite; Girard, Adrien; Mathonière, Corine; Nethaji, M.; Clérac, Rodolphe; Ali, Mahammad","Air oxygenation chemistry of 4-TBC catalyzed by chloro bridged dinuclear copper(II) complexes of pyrazole based tridentate ligands: synthesis, structure, magnetic and computational studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1879","1892","10.1039/c2dt30983a","","","0.71073","MoKα","","0.0489","0.037","","","0.0902","0.0951","","","","","","1.045","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022019","9.4248","0.0014","11.5255","0.0017","12.6536","0.0019","85.28","0.008","86.063","0.009","78.893","0.008","1342.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H62 Cl4 Cu2 N10 O12 -","- C42 H62 Cl4 Cu2 N10 O12 -","- C42 H62 Cl4 Cu2 N10 O12 -","1","0.5","","Banerjee, Ishita; Samanta, Pabitra Narayan; Das, Kalyan Kumar; Ababei, Rodica; Kalisz, Marguerite; Girard, Adrien; Mathonière, Corine; Nethaji, M.; Clérac, Rodolphe; Ali, Mahammad","Air oxygenation chemistry of 4-TBC catalyzed by chloro bridged dinuclear copper(II) complexes of pyrazole based tridentate ligands: synthesis, structure, magnetic and computational studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1879","1892","10.1039/c2dt30983a","","","0.71073","MoKα","","0.1158","0.0869","","","0.2422","0.2807","","","","","","1.043","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022020","23.567","0.005","23.458","0.005","29.624","0.006","90","","121.65","0.03","90","","13941","7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C103 H130 Dy2 Fe6 N18 Na2 O44 -","- C103 H104 Dy2 Fe6 N18 Na2 O41 -","- C412 H416 Dy8 Fe24 N72 Na8 O164 -","4","1","","Zhou, Qi; Yang, Fen; Liu, Dan; Peng, Yu; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures, and magnetic properties of a family of 3d-4f [Na2Fe6Ln2] complexes (Ln = Y, Gd and Dy): effect of ligands on the connection of inorganic subunits.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1039","1046","10.1039/c2dt31050c","","","0.71073","MoKα","","0.1185","0.079","","","0.1941","0.212","","","","","","1.033","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022021","12.7815","0.0005","35.7632","0.0015","17.068","0.0006","90","","126.198","0.002","90","","6296","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H110 Dy2 Fe6 N16 Na2 O34 -","- C98 H100 Dy2 Fe6 N16 Na2 O34 -","- C196 H200 Dy4 Fe12 N32 Na4 O68 -","2","0.5","","Zhou, Qi; Yang, Fen; Liu, Dan; Peng, Yu; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures, and magnetic properties of a family of 3d-4f [Na2Fe6Ln2] complexes (Ln = Y, Gd and Dy): effect of ligands on the connection of inorganic subunits.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1039","1046","10.1039/c2dt31050c","","","0.71073","MoKα","","0.106","0.0796","","","0.1526","0.1593","","","","","","1.318","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022022","12.408","0.003","41.897","0.008","13.42","0.003","90","","114.04","0.03","90","","6371","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H143 Dy2 Fe6 N17 Na2 O37 -","- C88 H114 Dy2 Fe6 N17 Na2 O32 -","- C176 H228 Dy4 Fe12 N34 Na4 O64 -","2","0.5","","Zhou, Qi; Yang, Fen; Liu, Dan; Peng, Yu; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures, and magnetic properties of a family of 3d-4f [Na2Fe6Ln2] complexes (Ln = Y, Gd and Dy): effect of ligands on the connection of inorganic subunits.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1039","1046","10.1039/c2dt31050c","","","0.71073","MoKα","","0.073","0.0579","","","0.1448","0.1545","","","","","","1.074","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022023","12.659","0.003","35.205","0.007","17.18","0.003","90","","124.37","0.03","90","","6320","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C100 H126 Fe6 Gd2 N16 Na2 O40 -","- C100 H106 Fe6 Gd2 N16 Na2 O40 -","- C200 H212 Fe12 Gd4 N32 Na4 O80 -","2","0.5","","Zhou, Qi; Yang, Fen; Liu, Dan; Peng, Yu; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures, and magnetic properties of a family of 3d-4f [Na2Fe6Ln2] complexes (Ln = Y, Gd and Dy): effect of ligands on the connection of inorganic subunits.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1039","1046","10.1039/c2dt31050c","","","0.71073","MoKα","","0.1021","0.07","","","0.1677","0.1827","","","","","","1.071","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022024","12.6479","0.0005","35.2806","0.0013","16.9188","0.0009","90","","126.42","0.003","90","","6075.1","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H110 Fe6 N16 Na2 O34 Y2 -","- C100 H102 Fe6 N14 Na2 O34 Y2 -","- C200 H204 Fe12 N28 Na4 O68 Y4 -","2","0.5","","Zhou, Qi; Yang, Fen; Liu, Dan; Peng, Yu; Li, Guanghua; Shi, Zhan; Feng, Shouhua","Synthesis, structures, and magnetic properties of a family of 3d-4f [Na2Fe6Ln2] complexes (Ln = Y, Gd and Dy): effect of ligands on the connection of inorganic subunits.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1039","1046","10.1039/c2dt31050c","","","0.71073","MoKα","","0.1082","0.0789","","","0.1507","0.1577","","","","","","1.191","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022025","7.15767","0.00012","10.51041","0.00017","5.81873","0.0001","106.337","0.0009","106.235","0.0011","71.1375","0.0009","388.839","0.012","298","","298","2","","","","","","","","4","P -1","-P 1","2","Potassium Calcium Vanadium Oxide","Bipotassium Calcium Bivanadate","","- Ca K2 O7 V2 -","- Ca K2 O7 V2 -","- Ca2 K4 O14 V4 -","2","1","","Tyutyunnik, Alexander P.; Slobodin, Boris V.; Samigullina, Rina F.; Verberck, Bart; Tarakina, Nadezda V.","K2CaV2O7: a pyrovanadate with a new layered type of structure in the A2BV2O7 family.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1057","1064","10.1039/c2dt31246h","powder diffraction","","1.54056","","","","","","","","","","","","","","","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022026","10.8574","0.0019","10.8574","","37.87","0.01","90","","90","","120","","3866.1","1.2","298","","298","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Potassium Calcium Vanadium Oxide","","","- Ca10 K O28 V7 -","- Ca10 K O28 V7 -","- Ca60 K6 O168 V42 -","6","0.333333","","Tyutyunnik, Alexander P.; Slobodin, Boris V.; Samigullina, Rina F.; Verberck, Bart; Tarakina, Nadezda V.","K2CaV2O7: a pyrovanadate with a new layered type of structure in the A2BV2O7 family.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1057","1064","10.1039/c2dt31246h","powder diffraction","","1.54056","","","","","","","","","","","","","","","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022027","4.9915","0.0011","4.9915","","17.088","0.005","90","","90","","120","","368.71","0.14","298","","298","2","","","","","","","","3","R -3 c :H","-R 3 2""c","167","Calcium Carbonate","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Tyutyunnik, Alexander P.; Slobodin, Boris V.; Samigullina, Rina F.; Verberck, Bart; Tarakina, Nadezda V.","K2CaV2O7: a pyrovanadate with a new layered type of structure in the A2BV2O7 family.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1057","1064","10.1039/c2dt31246h","powder diffraction","","1.54056","","","","","","","","","","","","","","","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022028","8.7123","0.0017","9.806","0.002","14.257","0.003","75.58","0.03","79.75","0.03","72.74","0.03","1119.4","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","bisisonicotinate triethyleneglycol","","","- C36 H40 Ag2 F12 N4 O12 P2 -","- C36 H40 Ag2 F12 N4 O12 P2 -","- C36 H40 Ag2 F12 N4 O12 P2 -","1","0.5","","Chevrier, Inès; Sagué, Jorge L; Brunetto, Priscilla S.; Khanna, Nina; Rajacic, Zarko; Fromm, Katharina M.","Rings, chains and helices: new antimicrobial silver coordination compounds with (iso-)nicotinic acid derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","217","231","10.1039/c2dt31259j","","","0.71073","MoKα","","0.2747","0.1096","","","0.236","0.3211","","","","","","0.823","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022029","9.1377","0.0018","10.794","0.002","11.988","0.002","100.062","0.015","107.033","0.015","99.711","0.015","1082.4","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","bisisonicotinate triethyleneglycol","","","- C18 H24 Ag N3 O11 -","- C18 H24 Ag N3 O11 -","- C36 H48 Ag2 N6 O22 -","2","1","","Chevrier, Inès; Sagué, Jorge L; Brunetto, Priscilla S.; Khanna, Nina; Rajacic, Zarko; Fromm, Katharina M.","Rings, chains and helices: new antimicrobial silver coordination compounds with (iso-)nicotinic acid derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","217","231","10.1039/c2dt31259j","","","0.71073","MoKα","","0.0653","0.0596","","","0.1517","0.1561","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022030","8.0308","0.0016","13.192","0.002","20.531","0.004","90","","101.866","0.016","90","","2128.6","0.7","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","L3nAgNO3 11","L3nAgNO3 11","","- C18 H20 Ag N3 O9 -","- C18 H20 Ag N3 O9 -","- C72 H80 Ag4 N12 O36 -","4","1","","Chevrier, Inès; Sagué, Jorge L; Brunetto, Priscilla S.; Khanna, Nina; Rajacic, Zarko; Fromm, Katharina M.","Rings, chains and helices: new antimicrobial silver coordination compounds with (iso-)nicotinic acid derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","217","231","10.1039/c2dt31259j","","","0.71073","MoKα","","0.1004","0.0591","","","0.1137","0.1272","","","","","","0.939","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022031","8.5066","0.0017","23.887","0.005","10.917","0.002","90","","90.47","0.03","90","","2218.2","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bisnicotinate triethyleneglycol","","","- C18 H20 Ag2 N4 O12 -","- C18 H20 Ag2 N4 O12 -","- C72 H80 Ag8 N16 O48 -","4","0.5","","Chevrier, Inès; Sagué, Jorge L; Brunetto, Priscilla S.; Khanna, Nina; Rajacic, Zarko; Fromm, Katharina M.","Rings, chains and helices: new antimicrobial silver coordination compounds with (iso-)nicotinic acid derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","217","231","10.1039/c2dt31259j","","","0.71073","MoKα","","0.031","0.0254","","","0.0518","0.0534","","","","","","1.139","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022032","10.0591","0.0014","10.3383","0.0014","14.054","0.002","76.82","0.012","83.149","0.012","64.79","0.01","1287.1","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","bisisonicotinate tretaethyleneglycol","","","- C42 H48 Ag2 F6 N4 O20 S2 -","- C42 H48 Ag2 F6 N4 O20 S2 -","- C42 H48 Ag2 F6 N4 O20 S2 -","1","0.5","","Chevrier, Inès; Sagué, Jorge L; Brunetto, Priscilla S.; Khanna, Nina; Rajacic, Zarko; Fromm, Katharina M.","Rings, chains and helices: new antimicrobial silver coordination compounds with (iso-)nicotinic acid derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","217","231","10.1039/c2dt31259j","","","0.71073","MoKα","","0.2093","0.0834","","","0.2006","0.2328","","","","","","0.754","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022033","9.548","0.0005","8.1661","0.0003","31.3729","0.0015","90","","91.197","0.004","90","","2445.6","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bisnicotinate tetraethyleneglycol","","","- C42 H56 Ag2 N6 O22 -","- C42 H56 Ag2 N6 O22 -","- C84 H112 Ag4 N12 O44 -","2","0.5","","Chevrier, Inès; Sagué, Jorge L; Brunetto, Priscilla S.; Khanna, Nina; Rajacic, Zarko; Fromm, Katharina M.","Rings, chains and helices: new antimicrobial silver coordination compounds with (iso-)nicotinic acid derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","217","231","10.1039/c2dt31259j","","","0.71073","MoKα","","0.0382","0.0279","","","0.0684","0.0717","","","","","","0.952","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022034","9.9254","0.0016","7.9338","0.001","31.91","0.005","90","","91.243","0.013","90","","2512.2","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bisnicotinate tetraethyleneglycol","","","- C40 H48 Ag4 N8 O26 -","- C40 H48 Ag4 N8 O26 -","- C80 H96 Ag8 N16 O52 -","2","0.5","","Chevrier, Inès; Sagué, Jorge L; Brunetto, Priscilla S.; Khanna, Nina; Rajacic, Zarko; Fromm, Katharina M.","Rings, chains and helices: new antimicrobial silver coordination compounds with (iso-)nicotinic acid derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","217","231","10.1039/c2dt31259j","","","0.71073","MoKα","","0.1907","0.0961","","","0.153","0.1782","","","","","","1.126","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022035","8.93","0.005","14.2","0.005","20.264","0.005","90","","116.134","0.015","90","","2306.9","1.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","bisisonicotinate triethyleneglycol","","","- C19 H20 Ag F3 N2 O9 S -","- C19 H20 Ag F3 N2 O9 S -","- C76 H80 Ag4 F12 N8 O36 S4 -","4","1","","Chevrier, Inès; Sagué, Jorge L; Brunetto, Priscilla S.; Khanna, Nina; Rajacic, Zarko; Fromm, Katharina M.","Rings, chains and helices: new antimicrobial silver coordination compounds with (iso-)nicotinic acid derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","217","231","10.1039/c2dt31259j","","","0.71073","MoKα","","0.191","0.081","","","0.1033","0.1354","","","","","","1.104","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022036","10.2349","0.0004","10.2349","0.0004","68.165","0.006","90","","90","","90","","7140.5","0.7","100","1","100","1","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C40 H50 Cl N2 O2.5 Y -","- C40 H50 Cl N2 O2.5 Y -","- C320 H400 Cl8 N16 O20 Y8 -","8","1","","Chapurina, Yulia; Guillot, Régis; Lyubov, Dmitrii; Trifonov, Alexander; Hannedouche, Jérôme; Schulz, Emmanuelle","LiCl-effect on asymmetric intramolecular hydroamination catalyzed by binaphthylamido yttrium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","507","520","10.1039/c2dt31265d","","x-ray","0.71073","MoKα","","0.0616","0.0489","","","0.1028","0.1071","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022037","10.5117","0.0003","13.7159","0.0004","17.3224","0.0004","78.113","0.001","76.911","0.001","89.739","0.001","2378.12","0.11","100","1","100","1","","","","","","","","6","P 1","P 1","1","","","","- C44 H71 N2 O2 Si3 Y -","- C44 H71 N2 O2 Si3 Y -","- C88 H142 N4 O4 Si6 Y2 -","2","2","","Chapurina, Yulia; Guillot, Régis; Lyubov, Dmitrii; Trifonov, Alexander; Hannedouche, Jérôme; Schulz, Emmanuelle","LiCl-effect on asymmetric intramolecular hydroamination catalyzed by binaphthylamido yttrium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","507","520","10.1039/c2dt31265d","","x-ray","0.71073","MoKα","","0.0566","0.046","","","0.1187","0.1247","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022038","23.2936","0.0007","10.2146","0.0003","22.5327","0.0007","90","","111.314","0.001","90","","4994.6","0.3","100","1","100","1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H60 Li4 N4 Si4 -","- C52 H60 Li4 N4 Si4 -","- C208 H240 Li16 N16 Si16 -","4","1","","Chapurina, Yulia; Guillot, Régis; Lyubov, Dmitrii; Trifonov, Alexander; Hannedouche, Jérôme; Schulz, Emmanuelle","LiCl-effect on asymmetric intramolecular hydroamination catalyzed by binaphthylamido yttrium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","507","520","10.1039/c2dt31265d","","x-ray","0.71073","MoKα","","0.0475","0.0441","","","0.1123","0.1149","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022039","11.6878","0.0009","29.465","0.003","20.484","0.002","90","","100.581","0.002","90","","6934.4","1.1","100","1","100","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H92 Cl2 N4 O4 Si4 Y2 -","- C68 H92 Cl2 N4 O4 Si4 Y2 -","- C272 H368 Cl8 N16 O16 Si16 Y8 -","4","2","","Chapurina, Yulia; Guillot, Régis; Lyubov, Dmitrii; Trifonov, Alexander; Hannedouche, Jérôme; Schulz, Emmanuelle","LiCl-effect on asymmetric intramolecular hydroamination catalyzed by binaphthylamido yttrium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","507","520","10.1039/c2dt31265d","","x-ray","0.71073","MoKα","","0.1694","0.0918","","","0.2065","0.2552","","","","","","1.013","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022040","11.4765","0.0002","11.4765","0.0002","26.9628","0.0007","90","","90","","120","","3075.49","0.11","100","1","100","1","","","","","","","","6","P 31","P 31","144","","","","- C40 H58 Li2 N2 O2 Si2 -","- C40 H58 Li2 N2 O2 Si2 -","- C120 H174 Li6 N6 O6 Si6 -","3","1","","Chapurina, Yulia; Guillot, Régis; Lyubov, Dmitrii; Trifonov, Alexander; Hannedouche, Jérôme; Schulz, Emmanuelle","LiCl-effect on asymmetric intramolecular hydroamination catalyzed by binaphthylamido yttrium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","507","520","10.1039/c2dt31265d","","x-ray","0.71073","MoKα","","0.0846","0.0476","","","0.1084","0.1235","","","","","","1.021","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022041","9.2116","0.0005","11.0549","0.0006","15.4803","0.0008","102.868","0.004","97.444","0.004","102.792","0.004","1471.91","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H38 F6 N4 O P2 Ru -","- C26 H38 F6 N4 O P2 Ru -","- C52 H76 F12 N8 O2 P4 Ru2 -","2","1","","Govender, Preshendren; Sudding, Lara C.; Clavel, Catherine M.; Dyson, Paul J.; Therrien, Bruno; Smith, Gregory S.","The influence of RAPTA moieties on the antiproliferative activity of peripheral-functionalised poly(salicylaldiminato) metallodendrimers.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1267","1277","10.1039/c2dt31337e","","","0.71073","MoKα","","0.1209","0.0998","","","0.2413","0.2491","","","","","","1.217","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022042","14.364","0.003","15.552","0.003","28.435","0.006","90","","90","","90","","6352","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H42 F6 N4 O P2 Ru -","- C28 H42 F6 N4 O P2 Ru -","- C224 H336 F48 N32 O8 P16 Ru8 -","8","1","","Govender, Preshendren; Sudding, Lara C.; Clavel, Catherine M.; Dyson, Paul J.; Therrien, Bruno; Smith, Gregory S.","The influence of RAPTA moieties on the antiproliferative activity of peripheral-functionalised poly(salicylaldiminato) metallodendrimers.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1267","1277","10.1039/c2dt31337e","","","0.71073","MoKα","","0.1792","0.0451","","","0.087","0.1061","","","","","","0.642","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022043","29.075","0.007","15.582","0.003","14.62","0.003","90","","90","","90","","6624","2","93","2","93","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H61 N2 O Rh -","- C35 H61 N2 O Rh -","- C280 H488 N16 O8 Rh8 -","8","1","","Truscott, Byron J.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Well-defined NHC-rhodium hydroxide complexes as alkene hydrosilylation and dehydrogenative silylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","270","276","10.1039/c2dt31339a","","","0.71073","MoKα","","0.1134","0.1109","","","0.2333","0.2345","","","","","","1.331","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022044","14.999","0.005","9.986","0.003","13.137","0.004","90","","106.884","0.008","90","","1882.8","1","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 N2 O Rh -","- C19 H33 N2 O Rh -","- C76 H132 N8 O4 Rh4 -","4","1","","Truscott, Byron J.; Slawin, Alexandra M. Z.; Nolan, Steven P.","Well-defined NHC-rhodium hydroxide complexes as alkene hydrosilylation and dehydrogenative silylation catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","270","276","10.1039/c2dt31339a","","","0.71073","MoKα","","0.0513","0.0422","","","0.1075","0.1164","","","","","","1.146","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022045","13.5114","0.0002","15.0165","0.0003","27.4482","0.0004","90","","90.0312","0.0008","90","","5569.07","0.16","230","2","230","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H84 Cl2 Zr4 -","- C54 H84 Cl2 Zr4 -","- C216 H336 Cl8 Zr16 -","4","1","","Yang, Hsueh-Hui; Chien, Chung-Hsien; Yang, Chien-Chan; Liu, Fu-Chen; Chang, Agnes H. H.; Lee, Gene-Hsian; Peng, Shie-Ming","Syntheses and structures of Zr4 tetrahedral clusters containing direct Zr-Zr bonds: the missing cluster in the series Zr(n) (n = 2-6).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1168","1173","10.1039/c2dt31428b","","","0.71073","MoKα","","0.0835","0.0474","","","0.1345","0.1484","","","","","","1.045","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022046","11.3501","0.0007","11.416","0.0007","18.7944","0.0012","82.9518","0.0016","82.0425","0.0014","65.2804","0.0013","2185.1","0.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H66 Zr4 -","- C40 H66 Zr4 -","- C80 H132 Zr8 -","2","1","","Yang, Hsueh-Hui; Chien, Chung-Hsien; Yang, Chien-Chan; Liu, Fu-Chen; Chang, Agnes H. H.; Lee, Gene-Hsian; Peng, Shie-Ming","Syntheses and structures of Zr4 tetrahedral clusters containing direct Zr-Zr bonds: the missing cluster in the series Zr(n) (n = 2-6).","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1168","1173","10.1039/c2dt31428b","","","0.71073","MoKα","","0.1171","0.0875","","","0.1523","0.1625","","","","","","1.21","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022047","12.9957","0.0008","15.2366","0.0009","20.3856","0.0012","90","","90","","90","","4036.6","0.4","185","2","185","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H39 Cl F2 O5 P2 Zr -","- C45 H39 Cl F2 O5 P2 Zr -","- C180 H156 Cl4 F8 O20 P8 Zr4 -","4","1","","Tang, Xiao-Yan; Wang, Yong-Xia; Liu, San-Rong; Liu, Jing-Yu; Li, Yue-Sheng","Monochloro non-bridged half-metallocene-type zirconium complexes containing phosphine oxide-(thio)phenolate chelating ligands as efficient ethylene polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","499","506","10.1039/c2dt31445b","","","0.71073","MoKα","","0.0796","0.0514","","","0.0898","0.099","","","","","","1.004","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022048","11.3191","0.0006","12.4318","0.0007","17.7473","0.001","73.078","0.001","80.582","0.001","63.648","0.001","2139.2","0.2","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H49 Cl O4 P2 Zr -","- C49 H49 Cl O4 P2 Zr -","- C98 H98 Cl2 O8 P4 Zr2 -","2","1","","Tang, Xiao-Yan; Wang, Yong-Xia; Liu, San-Rong; Liu, Jing-Yu; Li, Yue-Sheng","Monochloro non-bridged half-metallocene-type zirconium complexes containing phosphine oxide-(thio)phenolate chelating ligands as efficient ethylene polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","499","506","10.1039/c2dt31445b","","","0.71073","MoKα","","0.0916","0.0609","","","0.1467","0.1643","","","","","","1.036","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022049","10.782","0.002","27.167","0.005","18.915","0.003","90","","97.846","0.003","90","","5488.6","1.7","185","2","185","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C47 H49 Cl O2 P2 S2 Si2 Zr -","- C47 H49 Cl O2 P2 S2 Si2 Zr -","- C188 H196 Cl4 O8 P8 S8 Si8 Zr4 -","4","1","","Tang, Xiao-Yan; Wang, Yong-Xia; Liu, San-Rong; Liu, Jing-Yu; Li, Yue-Sheng","Monochloro non-bridged half-metallocene-type zirconium complexes containing phosphine oxide-(thio)phenolate chelating ligands as efficient ethylene polymerization catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","499","506","10.1039/c2dt31445b","","","0.71073","MoKα","","0.1513","0.1062","","","0.2847","0.3065","","","","","","1.055","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022050","11.396","0.0005","12.4261","0.0005","14.3449","0.0006","111.206","0.004","100.117","0.004","99.357","0.004","1806.88","0.15","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H64 Cu2 F12 N10 O16 S4 -","- C66 H64 Cu2 F12 N10 O16 S4 -","- C66 H64 Cu2 F12 N10 O16 S4 -","1","0.5","","Gomila, Antoine; Le Poul, Nicolas; Kerbaol, Jean-Michel; Cosquer, Nathalie; Triki, Smaïl; Douziech, Bénédicte; Conan, Françoise; Le Mest, Yves","Electrochemical behavior and dioxygen reactivity of tripodal dinuclear copper complexes linked by unsaturated rigid spacers.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2238","2253","10.1039/c2dt31456h","","","0.71073","MoKα","","0.0873","0.0589","","","0.1545","0.1666","","","","","","1.028","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022051","11.1778","0.0004","12.306","0.0004","13.5309","0.0005","82.557","0.003","69.394","0.003","77.618","0.003","1698.65","0.11","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H60 Cu2 F12 N10 O14 S4 -","- C54 H40 Cu2 F12 N10 O14 S4 -","- C54 H40 Cu2 F12 N10 O14 S4 -","1","0.5","","Gomila, Antoine; Le Poul, Nicolas; Kerbaol, Jean-Michel; Cosquer, Nathalie; Triki, Smaïl; Douziech, Bénédicte; Conan, Françoise; Le Mest, Yves","Electrochemical behavior and dioxygen reactivity of tripodal dinuclear copper complexes linked by unsaturated rigid spacers.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2238","2253","10.1039/c2dt31456h","","","0.71073","MoKα","","0.0709","0.0555","","","0.168","0.1798","","","","","","1.06","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022052","14.344","0.003","15.019","0.003","15.11","0.003","65.955","0.003","74.968","0.003","81.995","0.003","2868.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H168 La2 O24 P6 -","- C102 H168 La2 O24 P6 -","- C102 H168 La2 O24 P6 -","1","0.5","","Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Shlyahtin, Andrei V.; Korchagina, Sof'ya A.; Gavrilenko, Inna F.; Glebova, Natalya N.; Churakov, Andrei V.","Easily accessible, hydrocarbon-soluble, crystalline, anhydrous lanthanide (Nd, La, and Y) phosphates.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1223","1230","10.1039/c2dt31505j","","","0.71073","MoKα","","0.0718","0.0444","","","0.0805","0.0857","","","","","","0.952","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022053","14.273","0.003","14.921","0.003","15.089","0.003","65.781","0.002","75.178","0.003","82.048","0.003","2831.1","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H168 Nd2 O24 P6 -","- C102 H168 Nd2 O24 P6 -","- C102 H168 Nd2 O24 P6 -","1","0.5","","Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Shlyahtin, Andrei V.; Korchagina, Sof'ya A.; Gavrilenko, Inna F.; Glebova, Natalya N.; Churakov, Andrei V.","Easily accessible, hydrocarbon-soluble, crystalline, anhydrous lanthanide (Nd, La, and Y) phosphates.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1223","1230","10.1039/c2dt31505j","","","0.71073","MoKα","","0.0389","0.031","","","0.0794","0.0827","","","","","","1.075","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022054","15.049","0.002","20.351","0.003","22.399","0.003","81.292","0.002","87.985","0.002","76.987","0.002","6606.7","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H182 O24 P6 Y2 -","- C108 H182 O24 P6 Y2 -","- C216 H364 O48 P12 Y4 -","2","1","","Nifant'ev, Ilya E.; Tavtorkin, Alexander N.; Shlyahtin, Andrei V.; Korchagina, Sof'ya A.; Gavrilenko, Inna F.; Glebova, Natalya N.; Churakov, Andrei V.","Easily accessible, hydrocarbon-soluble, crystalline, anhydrous lanthanide (Nd, La, and Y) phosphates.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1223","1230","10.1039/c2dt31505j","","","0.71073","MoKα","","0.1266","0.0709","","","0.1989","0.2282","","","","","","1.034","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022055","13.3068","0.0002","18.0103","0.0004","16.528","0.0003","90","","100.821","0.001","90","","3890.66","0.13","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 Br4 Cl4 Co N6 O6 Re -","- C29 H18 Br4 Cl4 Co N6 O6 Re -","- C116 H72 Br16 Cl16 Co4 N24 O24 Re4 -","4","1","","Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Lloret, Francesc; Faus, Juan","Ferromagnetic coupling and spin canting behaviour in heterobimetallic Re(IV)M(II/III) (M = Co(II/III), Ni(II)) species.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1687","1695","10.1039/c2dt31546g","","","0.71073","MoKα","","0.0634","0.0385","","","0.1103","0.1217","","","","","","1.129","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022056","21.5363","0.0006","25.9588","0.0007","19.9914","0.0004","90","","90","","90","","11176.3","0.5","296","2","296","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C94 H91 Br12 Co2 N15 O21 Re3 -","- C94 H91 Br12 Co2 N15 O21 Re3 -","- C376 H364 Br48 Co8 N60 O84 Re12 -","4","0.5","","Martínez-Lillo, José; Armentano, Donatella; De Munno, Giovanni; Julve, Miguel; Lloret, Francesc; Faus, Juan","Ferromagnetic coupling and spin canting behaviour in heterobimetallic Re(IV)M(II/III) (M = Co(II/III), Ni(II)) species.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1687","1695","10.1039/c2dt31546g","","","0.71073","MoKα","","0.0812","0.0569","","","0.1847","0.2108","","","","","","1.125","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022057","9.3045","0.0003","10.5573","0.0005","12.4212","0.0004","106.644","0.004","103.017","0.003","109.367","0.004","1031.34","0.09","446","2","446","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 Mo8 N12 O26 -","- C18 H28 Mo8 N12 O26 -","- C18 H28 Mo8 N12 O26 -","1","0.5","","Chen, Quan-Liang; Chen, Hong-Bin; Cao, Ze-Xing; Zhou, Zhao-Hui","Synthesis, spectral, and structural characterizations of imidazole oxalato molybdenum(IV/V/VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1627","1636","10.1039/c2dt31566a","","","0.71073","MoKα","","0.0604","0.0492","","","0.1001","0.1046","","","","","","1.074","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022058","10.4113","0.0003","8.5644","0.0003","28.5006","0.0009","90","","95.693","0.003","90","","2528.77","0.14","446","2","446","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 Mo3 N10 Na0 O9 -","- C15 H20 Mo3 N10 O9 -","- C60 H80 Mo12 N40 O36 -","4","1","","Chen, Quan-Liang; Chen, Hong-Bin; Cao, Ze-Xing; Zhou, Zhao-Hui","Synthesis, spectral, and structural characterizations of imidazole oxalato molybdenum(IV/V/VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1627","1636","10.1039/c2dt31566a","","","0.71073","MoKα","","0.0817","0.0577","","","0.1168","0.1245","","","","","","1.274","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022059","8.6765","0.0002","9.5675","0.0003","11.8913","0.0004","100.703","0.003","100.708","0.002","102.734","0.003","919.24","0.05","446","2","446","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H30 Mo4 N4 Na2 O34 -","- C14 H30 Mo4 N4 Na2 O34 -","- C14 H30 Mo4 N4 Na2 O34 -","1","0.5","","Chen, Quan-Liang; Chen, Hong-Bin; Cao, Ze-Xing; Zhou, Zhao-Hui","Synthesis, spectral, and structural characterizations of imidazole oxalato molybdenum(IV/V/VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1627","1636","10.1039/c2dt31566a","","","0.71073","MoKα","","0.045","0.034","","","0.0677","0.0721","","","","","","1.029","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022060","8.8559","0.0004","9.3464","0.0005","11.5089","0.0005","95.999","0.004","96.93","0.004","103.116","0.005","912.36","0.08","446","2","446","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H14 K0 Mo2 N4 O14 -","- C10 H14 Mo2 N4 O14 -","- C20 H28 Mo4 N8 O28 -","2","1","","Chen, Quan-Liang; Chen, Hong-Bin; Cao, Ze-Xing; Zhou, Zhao-Hui","Synthesis, spectral, and structural characterizations of imidazole oxalato molybdenum(IV/V/VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1627","1636","10.1039/c2dt31566a","","","0.71073","MoKα","","0.0546","0.0386","","","0.1053","0.1436","","","","","","1.097","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022061","27.7825","0.0015","10.1376","0.0004","18.3598","0.001","90","","121.619","0.007","90","","4403.4","0.5","446","2","446","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Sodium oxalato imidazole molybdate(V)","","","- C20 H34 Mo4 N8 Na4 O33 -","- C20 H34 Mo4 N8 Na4 O33 -","- C80 H136 Mo16 N32 Na16 O132 -","4","0.5","","Chen, Quan-Liang; Chen, Hong-Bin; Cao, Ze-Xing; Zhou, Zhao-Hui","Synthesis, spectral, and structural characterizations of imidazole oxalato molybdenum(IV/V/VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1627","1636","10.1039/c2dt31566a","","","0.71073","MoKα","","0.0469","0.0359","","","0.0745","0.0795","","","","","","1.018","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022062","8.6355","0.0002","29.6451","0.0009","8.8144","0.0003","90","","107.402","0.003","90","","2153.21","0.12","446","2","446","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Potassium oxalato imidazole molybdate(V)","","","- C10 H14 K2 Mo2 N4 O15 -","- C10 H14 K2 Mo2 N4 O15 -","- C40 H56 K8 Mo8 N16 O60 -","4","1","","Chen, Quan-Liang; Chen, Hong-Bin; Cao, Ze-Xing; Zhou, Zhao-Hui","Synthesis, spectral, and structural characterizations of imidazole oxalato molybdenum(IV/V/VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1627","1636","10.1039/c2dt31566a","","","0.71073","MoKα","","0.05","0.0381","","","0.0706","0.0745","","","","","","1.067","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022063","9.5495","0.0004","11.8097","0.0005","15.737","0.0008","76.902","0.004","73.425","0.004","66.739","0.004","1549.61","0.13","396","2","396","2","","","","","","","","6","P -1","-P 1","2","Potassium imidazolium oxalato imidazole molybdate(IV)","","","- C18 H17 K Mo3 N8 O19 -","- C18 H17 K Mo3 N8 O19 -","- C36 H34 K2 Mo6 N16 O38 -","2","1","","Chen, Quan-Liang; Chen, Hong-Bin; Cao, Ze-Xing; Zhou, Zhao-Hui","Synthesis, spectral, and structural characterizations of imidazole oxalato molybdenum(IV/V/VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1627","1636","10.1039/c2dt31566a","","","0.71073","MoKα","","0.0921","0.0601","","","0.1045","0.1191","","","","","","1.053","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022064","8.2312","0.0002","15.6958","0.0004","8.7803","0.0002","90","","99.098","0.002","90","","1120.1","0.05","446","2","446","2","","","","","","","","5","P 1 21 1","P 2yb","4","Oxomolybdenum(VI/V) imidazole hydrate","","","- C12 H18 Mo3 N8 O9 -","- C12 H18 Mo3 N8 O9 -","- C24 H36 Mo6 N16 O18 -","2","1","","Chen, Quan-Liang; Chen, Hong-Bin; Cao, Ze-Xing; Zhou, Zhao-Hui","Synthesis, spectral, and structural characterizations of imidazole oxalato molybdenum(IV/V/VI) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1627","1636","10.1039/c2dt31566a","","","0.71073","MoKα","","0.0312","0.0271","","","0.068","0.07","","","","","","0.741","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022065","22.701","0.006","7.0563","0.0019","16.741","0.005","90","","121.675","0.012","90","","2282.2","1.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H31 Cu N5 O4 -","- C23 H31 Cu N5 O4 -","- C92 H124 Cu4 N20 O16 -","4","0.5","","Mukherjee, Tirtha; Costa Pessoa, João; Kumar, Amit; Sarkar, Asit R.","Synthesis, structure, magnetic properties and biological activity of supramolecular copper(II) and nickel(II) complexes with a Schiff base ligand derived from vitamin B6.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2594","2607","10.1039/c2dt31575k","","","0.71073","MoKα","","0.0736","0.0491","","","0.1367","0.1534","","","","","","1.0615","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022066","22.768","0.004","7.0751","0.001","18.218","0.003","90","","118.618","0.008","90","","2576.1","0.7","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H35 N5 Ni O6 -","- C23 H35 N5 Ni O6 -","- C92 H140 N20 Ni4 O24 -","4","0.5","","Mukherjee, Tirtha; Costa Pessoa, João; Kumar, Amit; Sarkar, Asit R.","Synthesis, structure, magnetic properties and biological activity of supramolecular copper(II) and nickel(II) complexes with a Schiff base ligand derived from vitamin B6.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2594","2607","10.1039/c2dt31575k","","","0.71073","MoKα","","0.0605","0.0494","","","0.1439","0.1531","","","","","","1.049","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022067","11.0987","0.0006","20.7513","0.0011","12.2034","0.0006","90","","116.917","0.001","90","","2506.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H44 Mo8 N4 O54 P V6 -","- C4 H16 Mo8 N4 O53.988 P V6 -","- C8 H32 Mo16 N8 O107.976 P2 V12 -","2","0.5","","Zhang, Weisong; Gong, Jingjing; Zhang, Lili; Yang, Yanan; Liu, Yang; Zhang, Hengchao; Zhang, Guangju; Dong, Huan; Hu, Hailiang; Zhao, Fangfang; Kang, Zhenhui","Transition metal-induced self-assembly of small molybdenum clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1760","1769","10.1039/c2dt31595e","","","0.71073","MoKα","","0.0695","0.0596","","","0.1605","0.1711","","","","","","1.109","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022068","21.8438","0.001","11.7484","0.0006","22.3792","0.001","90","","90","","90","","5743.2","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3 H31 Cr Mo6 N3 O29 -","- C3 H31 Cr Mo6 N3 O29 -","- C24 H248 Cr8 Mo48 N24 O232 -","8","1","","Zhang, Weisong; Gong, Jingjing; Zhang, Lili; Yang, Yanan; Liu, Yang; Zhang, Hengchao; Zhang, Guangju; Dong, Huan; Hu, Hailiang; Zhao, Fangfang; Kang, Zhenhui","Transition metal-induced self-assembly of small molybdenum clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1760","1769","10.1039/c2dt31595e","","","0.71073","MoKα","","0.0257","0.0202","","","0.0448","0.0465","","","","","","1.03","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022069","11.8758","0.0006","13.3881","0.0007","13.862","0.0008","87.005","0.001","69.631","0.001","64.754","0.001","1856.75","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H86 Mn Mo12 N14 O68 P8 -","- C14 H82 Mn Mo12 N14 O68 P8 -","- C14 H82 Mn Mo12 N14 O68 P8 -","1","0.5","","Zhang, Weisong; Gong, Jingjing; Zhang, Lili; Yang, Yanan; Liu, Yang; Zhang, Hengchao; Zhang, Guangju; Dong, Huan; Hu, Hailiang; Zhao, Fangfang; Kang, Zhenhui","Transition metal-induced self-assembly of small molybdenum clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1760","1769","10.1039/c2dt31595e","","","0.71073","MoKα","","0.0281","0.0256","","","0.064","0.0654","","","","","","1.098","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022070","16.1094","0.0016","11.8543","0.0012","17.8232","0.0018","90","","103.296","0.002","90","","3312.4","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H62 Co3 Mo12 N8 O68 P8 -","- C8 H48 Co3 Mo12 N8 O68 P8 -","- C16 H96 Co6 Mo24 N16 O136 P16 -","2","0.5","","Zhang, Weisong; Gong, Jingjing; Zhang, Lili; Yang, Yanan; Liu, Yang; Zhang, Hengchao; Zhang, Guangju; Dong, Huan; Hu, Hailiang; Zhao, Fangfang; Kang, Zhenhui","Transition metal-induced self-assembly of small molybdenum clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1760","1769","10.1039/c2dt31595e","","","0.71073","MoKα","","0.0282","0.0251","","","0.0675","0.0709","","","","","","1.097","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022071","24.037","0.004","36.226","0.006","20.476","0.004","90","","90","","90","","17830","5","150","2","150","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- H134 Mo16 Ni21 O198 P28 -","- Mo16 Ni21 O198 P28 -","- Mo64 Ni84 O792 P112 -","4","0.25","","Zhang, Weisong; Gong, Jingjing; Zhang, Lili; Yang, Yanan; Liu, Yang; Zhang, Hengchao; Zhang, Guangju; Dong, Huan; Hu, Hailiang; Zhao, Fangfang; Kang, Zhenhui","Transition metal-induced self-assembly of small molybdenum clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1760","1769","10.1039/c2dt31595e","","","0.71073","MoKα","","0.0745","0.0623","","","0.1935","0.2059","","","","","","1.069","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022072","13.4301","0.0007","15.5335","0.0008","16.7731","0.0009","90","","90","","90","","3499.1","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H32 Cu2 Mo8 N8 O26 -","- C8 H32 Cu2 Mo8 N8 O26 -","- C32 H128 Cu8 Mo32 N32 O104 -","4","0.5","","Zhang, Weisong; Gong, Jingjing; Zhang, Lili; Yang, Yanan; Liu, Yang; Zhang, Hengchao; Zhang, Guangju; Dong, Huan; Hu, Hailiang; Zhao, Fangfang; Kang, Zhenhui","Transition metal-induced self-assembly of small molybdenum clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1760","1769","10.1039/c2dt31595e","","","0.71073","MoKα","","0.0206","0.0204","","","0.0493","0.0493","","","","","","1.173","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022073","10.6894","0.0005","11.1431","0.0006","12.8197","0.0007","75.695","0.001","89.466","0.001","86.424","0.001","1476.74","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H32 Cu Mo5 N6 O25 P2 -","- C6.004 H30 Cu Mo5 N6 O25 P2 -","- C12.008 H60 Cu2 Mo10 N12 O50 P4 -","2","1","","Zhang, Weisong; Gong, Jingjing; Zhang, Lili; Yang, Yanan; Liu, Yang; Zhang, Hengchao; Zhang, Guangju; Dong, Huan; Hu, Hailiang; Zhao, Fangfang; Kang, Zhenhui","Transition metal-induced self-assembly of small molybdenum clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1760","1769","10.1039/c2dt31595e","","","0.71073","MoKα","","0.0426","0.0409","","","0.1266","0.1284","","","","","","1.096","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022074","12.397","0.0006","15.1947","0.0008","20.9508","0.001","90.95","0.001","92.997","0.001","96.049","0.001","3918.2","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H84 Mo12 N10 Na2 O75 P8 Zn2 -","- C10 H40 Mo12 N10 Na2 O75 P8 Zn2 -","- C20 H80 Mo24 N20 Na4 O150 P16 Zn4 -","2","1","","Zhang, Weisong; Gong, Jingjing; Zhang, Lili; Yang, Yanan; Liu, Yang; Zhang, Hengchao; Zhang, Guangju; Dong, Huan; Hu, Hailiang; Zhao, Fangfang; Kang, Zhenhui","Transition metal-induced self-assembly of small molybdenum clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1760","1769","10.1039/c2dt31595e","","","0.71073","MoKα","","0.0546","0.0415","","","0.0979","0.1074","","","","","","1.037","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022075","9.7093","0.0012","12.6706","0.0017","17.136","0.002","82.717","0.009","81.736","0.009","82.82","0.009","2057.1","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H124 N8 Nd2 Si8 -","- C64 H124 N8 Nd2 Si8 -","- C64 H124 N8 Nd2 Si8 -","1","0.5","","Sun, Song; Nie, Kun; Tan, Yufang; Zhao, Bei; Zhang, Yong; Shen, Qi; Yao, Yingming","Bimetallic lanthanide amido complexes as highly active initiators for the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2870","2878","10.1039/c2dt31597a","","","0.71075","MoKα","","0.0818","0.0622","","","0.1362","0.1511","","","","","","1.085","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022076","19.569","0.003","13.4929","0.0013","35.129","0.003","90","","90","","90","","9275.6","1.9","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C78 H140 N8 Si8 Sm2 -","- C78 H140 N8 Si8 Sm2 -","- C312 H560 N32 Si32 Sm8 -","4","1","","Sun, Song; Nie, Kun; Tan, Yufang; Zhao, Bei; Zhang, Yong; Shen, Qi; Yao, Yingming","Bimetallic lanthanide amido complexes as highly active initiators for the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2870","2878","10.1039/c2dt31597a","","","0.71075","MoKα","","0.1015","0.0802","","","0.1743","0.1914","","","","","","1.055","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022077","19.5917","0.0014","13.4025","0.0011","35.085","0.003","90","","90","","90","","9212.5","1.3","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C78 H140 N8 Si8 Y2 -","- C78 H140 N8 Si8 Y2 -","- C312 H560 N32 Si32 Y8 -","4","1","","Sun, Song; Nie, Kun; Tan, Yufang; Zhao, Bei; Zhang, Yong; Shen, Qi; Yao, Yingming","Bimetallic lanthanide amido complexes as highly active initiators for the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2870","2878","10.1039/c2dt31597a","","","0.71075","MoKα","","0.1405","0.0888","","","0.1816","0.2129","","","","","","1.047","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022078","21.389","0.0013","11.4497","0.0006","34.1506","0.0017","90","","95.069","0.002","90","","8330.7","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H124 N8 Nd2 Si8 -","- C64 H124 N8 Nd2 Si8 -","- C256 H496 N32 Nd8 Si32 -","4","1","","Sun, Song; Nie, Kun; Tan, Yufang; Zhao, Bei; Zhang, Yong; Shen, Qi; Yao, Yingming","Bimetallic lanthanide amido complexes as highly active initiators for the ring-opening polymerization of lactides.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2870","2878","10.1039/c2dt31597a","","","0.71075","MoKα","","0.0499","0.0416","","","0.1015","0.1074","","","","","","1.107","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022079","6.333","0.005","7.395","0.005","7.575","0.005","90","","90.947","0.011","90","","354.7","0.4","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F4 Li3 Mn O6 P2 -","- F4 Li3 Mn O6 P2 -","- F8 Li6 Mn2 O12 P4 -","2","0.5","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71075","Molybdenum","","0.0633","0.0456","","","0.1028","0.1174","","","","","","0.816","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022080","4.694","0.005","6.003","0.006","7.771","0.008","102.444","0.015","99.751","0.004","107.71","0.02","197.1","0.4","100","2","100","","","","","","","","","5","P 1","P 1","1","","","","- F3 Mn Na2 O7 P2 -","- F3 Mn Na2 O7 P2 -","- F3 Mn Na2 O7 P2 -","1","1","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71075","Molybdenum","","0.0422","0.0367","","","0.0843","0.0887","","","","","","1.235","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022081","5.6722","0.0003","7.6992","0.0006","6.8143","0.0005","90","","109.733","0.004","90","","280.11","0.03","120","2","120","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- F4 H Mn Na2 O3 P -","- F4 H Mn Na2 O3 P -","- F8 H2 Mn2 Na4 O6 P2 -","2","0.5","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71073","MoKα","","0.0692","0.0502","","","0.0895","0.0978","","","","","","1.141","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022082","7.788","0.007","8.104","0.007","8.134","0.007","90","","97.455","0.014","90","","509","0.8","100","2","100","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- F6 Mn2 Na4 O7 P2 -","- F6 Mn2 Na4 O7 P2 -","- F12 Mn4 Na8 O14 P4 -","2","0.5","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71075","MoKα","","0.1278","0.0838","","","0.1886","0.22","","","","","","0.977","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022083","7.3481","0.0002","7.8143","0.0003","8.5789","0.0003","90","","114.364","0.002","90","","448.73","0.03","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- F2 H3 Mn O8 P2 Rb2 -","- F2 H3 Mn O8 P2 Rb2 -","- F4 H6 Mn2 O16 P4 Rb4 -","2","0.5","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71073","MoKα","","0.0183","0.0176","","","0.0397","0.0401","","","","","","1.074","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022084","5.4027","0.0002","12.4794","0.0006","7.3305","0.0003","90","","107.145","0.003","90","","472.28","0.04","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- F3 K Mn O3 P -","- F3 K Mn O3 P -","- F12 K4 Mn4 O12 P4 -","4","1","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71073","MoKα","","0.0723","0.0516","","","0.1012","0.1151","","","","","","0.837","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022085","5.3999","0.0002","13.1644","0.0006","7.4117","0.0003","90","","107.501","0.003","90","","502.48","0.04","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F3 H4 Mn N O3 P -","- F3 H4 Mn N O3 P -","- F12 H16 Mn4 N4 O12 P4 -","4","1","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71073","MoKα","","0.0342","0.0292","","","0.0677","0.0714","","","","","","0.964","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022086","7.574","0.005","9.985","0.005","7.598","0.005","90","","100.723","0.008","90","","564.6","0.6","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cs2 F6 Mn2 O6 P2 -","- Cs2 F6 Mn2 O6 P2 -","- Cs4 F12 Mn4 O12 P4 -","2","1","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71075","MoKα","","0.0538","0.0515","","","0.1133","0.1148","","","","","","1.104","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022087","15.1935","0.0005","8.8166","0.0002","12.1647","0.0003","90","","114.347","0.002","90","","1484.6","0.07","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- F7 Mn3 O10 P3 Rb3 -","- F7 Mn3 O10 P3 Rb3 -","- F28 Mn12 O40 P12 Rb12 -","4","1","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71073","MoKα","","0.0721","0.0649","","","0.1576","0.1637","","","","","","1.033","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022088","4.8208","0.0002","8.2918","0.0003","10.7559","0.0005","89.62","0.003","87.828","0.003","87.621","0.003","429.26","0.03","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- F2 H2 K2 Mn O8 P2 -","- F2 H2 K2 Mn O8 P2 -","- F4 H4 K4 Mn2 O16 P4 -","2","1","","Armstrong, Jennifer A.; Williams, Edward R.; Weller, Mark T.","Manganese(III) fluorophosphate frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2302","2308","10.1039/c2dt31611k","","","0.71073","MoKα","","0.0795","0.0576","","","0.1123","0.124","","","","","","1.064","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022089","15.979","0.004","16.381","0.004","21.702","0.006","90.181","0.005","109.502","0.005","119.054","0.005","4586","2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C72 H102 B12 Nd6 -","- C72 H102 B12 Nd6 -","- C144 H204 B24 Nd12 -","2","1","","Bonnet, Fanny; Jones, Chloe E.; Semlali, Sanaa; Bria, Marc; Roussel, Pascal; Visseaux, Marc; Arnold, Polly L.","Tuning the catalytic properties of rare earth borohydrides for the polymerisation of isoprene.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","790","801","10.1039/c2dt31624b","","","0.71069","MoKα","","0.0998","0.054","","","0.0513","0.0556","","","","1.46","1.46","1.09","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022090","8.611","0.001","17.348","0.0003","14.9131","0.0003","90","","105.06","0.001","90","","2151.3","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 B2 Nd O2 -","- C18 H39 B2 Nd O2 -","- C72 H156 B8 Nd4 O8 -","4","1","","Bonnet, Fanny; Jones, Chloe E.; Semlali, Sanaa; Bria, Marc; Roussel, Pascal; Visseaux, Marc; Arnold, Polly L.","Tuning the catalytic properties of rare earth borohydrides for the polymerisation of isoprene.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","790","801","10.1039/c2dt31624b","","","0.71073","MoKα","","0.0334","0.0249","","","0.053","0.0558","","","","","","1.046","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022091","4.929","0.0013","7.326","0.002","11.923","0.003","86.404","0.006","86.201","0.006","79.514","0.005","421.85","0.19","298","2","298","2","","","","","","","","4","P -1","-P 1","2","N,N'-bis((2-methylthio)phenylmethylene)-1,2-ethanediamine","N,N'-bis[(2-methylthio)phenylmethylene]-1,2-ethanediamine","","- C18 H20 N2 S2 -","- C18 H20 N2 S2 -","- C18 H20 N2 S2 -","1","0.5","","Dutta, Pradip Kr; Panda, Snigdha; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.","Reaction time dependent formation of Pd(II) and Pt(II) complexes of bis(methyl)thiasalen podand.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","476","483","10.1039/c2dt31630g","","","0.71073","MoKα","","0.0482","0.039","","","0.0973","0.1051","","","","","","1.047","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022092","14.4109","0.001","8.1051","0.0005","17.2294","0.0012","90","","97.665","0.002","90","","1994.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 F6 N2 P Pd S2 -","- C17 H17 F6 N2 P Pd S2 -","- C68 H68 F24 N8 P4 Pd4 S8 -","4","1","","Dutta, Pradip Kr; Panda, Snigdha; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.","Reaction time dependent formation of Pd(II) and Pt(II) complexes of bis(methyl)thiasalen podand.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","476","483","10.1039/c2dt31630g","","","0.71073","MoKα","","0.0431","0.0271","","","0.0559","0.0601","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022093","11.7171","0.001","9.479","0.0008","22.0703","0.0019","90","","92.692","0.002","90","","2448.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 F12 N2 P2 Pd S2 -","- C18 H20 F12 N2 P2 Pd S2 -","- C72 H80 F48 N8 P8 Pd4 S8 -","4","1","","Dutta, Pradip Kr; Panda, Snigdha; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.","Reaction time dependent formation of Pd(II) and Pt(II) complexes of bis(methyl)thiasalen podand.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","476","483","10.1039/c2dt31630g","","","0.71073","MoKα","","0.0661","0.0544","","","0.1456","0.1548","","","","","","1.271","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022094","14.3395","0.0007","8.1398","0.0004","17.2965","0.0008","90","","97.546","0.001","90","","2001.38","0.17","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 F6 N2 P Pt S2 -","- C17 H17 F6 N2 P Pt S2 -","- C68 H68 F24 N8 P4 Pt4 S8 -","4","1","","Dutta, Pradip Kr; Panda, Snigdha; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.","Reaction time dependent formation of Pd(II) and Pt(II) complexes of bis(methyl)thiasalen podand.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","476","483","10.1039/c2dt31630g","","","0.71073","MoKα","","0.0202","0.0173","","","0.0421","0.0444","","","","","","0.998","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022095","16.1854","0.0005","13.5186","0.0005","11.6565","0.0004","90","","95.882","0.003","90","","2537.06","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H23 B F2 Fe N2 -","- C33 H23 B F2 Fe N2 -","- C132 H92 B4 F8 Fe4 N8 -","4","1","","Dhokale, Bhausaheb; Gautam, Prabhat; Mobin, Shaikh M.; Misra, Rajneesh","Donor-acceptor, ferrocenyl substituted BODIPYs with marvelous supramolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1512","1518","10.1039/c2dt31632c","","","0.71073","MoKα","","0.0678","0.0482","","","0.1178","0.1317","","","","","","1.04","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022096","10.9439","0.0011","6.9521","0.0004","28.537","0.0019","90","","93.478","0.007","90","","2167.2","0.3","293","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 B F2 Fe N2 -","- C27 H19 B F2 Fe N2 -","- C108 H76 B4 F8 Fe4 N8 -","4","1","","Dhokale, Bhausaheb; Gautam, Prabhat; Mobin, Shaikh M.; Misra, Rajneesh","Donor-acceptor, ferrocenyl substituted BODIPYs with marvelous supramolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1512","1518","10.1039/c2dt31632c","","","0.71073","MoKα","","0.1132","0.0618","","","0.1419","0.1737","","","","","","1.068","","","","has coordinates,has disorder","179925","2020-10-21","18:00:00",""
"7022097","10.7269","0.0005","7.6282","0.0004","24.6682","0.0012","90","","100.154","0.004","90","","1986.91","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H19 B F2 Fe N2 -","- C25 H19 B F2 Fe N2 -","- C100 H76 B4 F8 Fe4 N8 -","4","1","","Dhokale, Bhausaheb; Gautam, Prabhat; Mobin, Shaikh M.; Misra, Rajneesh","Donor-acceptor, ferrocenyl substituted BODIPYs with marvelous supramolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1512","1518","10.1039/c2dt31632c","","","0.71073","MoKα","","0.044","0.035","","","0.0809","0.0867","","","","","","1.085","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022098","10.2069","0.0005","21.325","0.0009","13.6329","0.0006","90","","110.414","0.005","90","","2781","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 B Br F2 N2 -","- C15 H10 B Br F2 N2 -","- C120 H80 B8 Br8 F16 N16 -","8","2","","Dhokale, Bhausaheb; Gautam, Prabhat; Mobin, Shaikh M.; Misra, Rajneesh","Donor-acceptor, ferrocenyl substituted BODIPYs with marvelous supramolecular interactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1512","1518","10.1039/c2dt31632c","","","0.71073","MoKα","","0.0646","0.043","","","0.0992","0.111","","","","","","1.058","","","","has coordinates","179925","2020-10-21","18:00:00",""
"7022099","9.465","0.001","8.6144","0.0009","30.436","0.003","90","","95.187","0.009","90","","2471.4","0.4","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H42 O4 Pt Si -","- C21 H42 O4 Pt Si -","- C84 H168 O16 Pt4 Si4 -","4","1","","Laurent, Pierre; Veyre, Laurent; Thieuleux, Chloé; Donet, Sébastien; Copéret, Christophe","From well-defined Pt(II) surface species to the controlled growth of silica supported Pt nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","238","248","10.1039/c2dt31639k","","","0.7107","MoKα","","0.0656","0.0473","","0.149","0.1188","0.149","","","","","","0.9917","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022100","10.5195","0.0005","11.5936","0.0006","14.5167","0.0008","72.425","0.005","80.632","0.004","89.822","0.004","1663.29","0.16","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H57 N O4 Pt Si3 -","- C26 H57 N O4 Pt Si3 -","- C52 H114 N2 O8 Pt2 Si6 -","2","1","","Laurent, Pierre; Veyre, Laurent; Thieuleux, Chloé; Donet, Sébastien; Copéret, Christophe","From well-defined Pt(II) surface species to the controlled growth of silica supported Pt nanoparticles.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","238","248","10.1039/c2dt31639k","","","0.7107","MoKα","","0.034","0.0306","","0.0663","0.0612","0.0663","","","","","","1.0036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022101","34.426","0.016","10.1","0.005","32.153","0.015","90","","112.358","0.008","90","","10339","9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 Fe N4 S2 Zn -","- C54 H42 Fe N4 S2 Zn -","- C432 H336 Fe8 N32 S16 Zn8 -","8","1","","Devillers, Charles H.; Milet, Anne; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Bucher, Christophe","Long-range electronic connection in picket-fence like ferrocene-porphyrin derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1196","1209","10.1039/c2dt31667f","","","0.71073","MoKα","","0.0839","0.0688","","","0.1578","0.1682","","","","","","1.124","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022102","8.236","0.002","12.414","0.004","12.62","0.004","67.731","0.005","72.24","0.005","76.832","0.005","1127.9","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H48 Fe2 N4 O4 Zn -","- C58 H48 Fe2 N4 O4 Zn -","- C58 H48 Fe2 N4 O4 Zn -","1","0.5","","Devillers, Charles H.; Milet, Anne; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Bucher, Christophe","Long-range electronic connection in picket-fence like ferrocene-porphyrin derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1196","1209","10.1039/c2dt31667f","","","0.71073","MoKα","","0.0483","0.0418","","","0.1023","0.1049","","","","","","1.109","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022103","18.415","0.006","12.697","0.004","24.742","0.008","90","","90","","90","","5785","3","223","2","223","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C68 H64 Fe2 N4 O2 S4 Zn -","- C68 H64 Fe2 N4 O2 S4 Zn -","- C272 H256 Fe8 N16 O8 S16 Zn4 -","4","0.5","","Devillers, Charles H.; Milet, Anne; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Bucher, Christophe","Long-range electronic connection in picket-fence like ferrocene-porphyrin derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1196","1209","10.1039/c2dt31667f","","","0.71073","MoKα","","0.1892","0.0733","","","0.1529","0.1876","","","","","","0.904","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022104","58.224","0.018","7.4","0.002","27.891","0.009","90","","110.088","0.005","90","","11286","6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C65 H55.5 Fe4 N4 O2 Zn -","- C65 H54 Fe4 N4 O2 Zn -","- C520 H432 Fe32 N32 O16 Zn8 -","8","1","","Devillers, Charles H.; Milet, Anne; Moutet, Jean-Claude; Pécaut, Jacques; Royal, Guy; Saint-Aman, Eric; Bucher, Christophe","Long-range electronic connection in picket-fence like ferrocene-porphyrin derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1196","1209","10.1039/c2dt31667f","","","0.71073","MoKα","","0.1321","0.1088","","","0.2746","0.2887","","","","","","1.296","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022105","14.7644","0.0013","15.3413","0.0014","18.7449","0.0019","87.711","0.003","85.549","0.003","75.531","0.003","4097.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H81 Cu8 N11 O27 -","- C73 H65 Cu8 N11 O27 -","- C146 H130 Cu16 N22 O54 -","2","1","","Hu, Kong-Qiu; Wu, Shu-Qi; An, Guang-Yu; Cui, Ai-Li; Kou, Hui-Zhong","Syntheses, structure, and magnetic properties of heteronuclear Cu(II)4Fe(III)4 cluster and Cu(II)8 bimetallacycles.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1102","1108","10.1039/c2dt31708g","","","0.71073","MoKα","","0.2541","0.0968","","","0.2073","0.2629","","","","","","0.921","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022106","29.714","0.003","29.714","0.003","16.257","0.0018","90","","90","","120","","12431","2","153","2","153","2","","","","","","","","6","P -3","-P 3","147","","","","- C73 H79 Cu4 Fe4 N11 O27 -","- C73 H67 Cu4 Fe4 N11 O27 -","- C438 H402 Cu24 Fe24 N66 O162 -","6","1","","Hu, Kong-Qiu; Wu, Shu-Qi; An, Guang-Yu; Cui, Ai-Li; Kou, Hui-Zhong","Syntheses, structure, and magnetic properties of heteronuclear Cu(II)4Fe(III)4 cluster and Cu(II)8 bimetallacycles.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1102","1108","10.1039/c2dt31708g","","","0.71073","MoKα","","0.0938","0.0871","","","0.1938","0.1983","","","","","","1.092","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022107","18.3819","0.001","43.1954","0.0019","9.8247","0.0005","90","","90.251","0.002","90","","7800.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H43 Cu4 N4 O11.5 -","- C37 H28 Cu4 N4 O11.5 -","- C296 H224 Cu32 N32 O92 -","8","2","","Hu, Kong-Qiu; Wu, Shu-Qi; An, Guang-Yu; Cui, Ai-Li; Kou, Hui-Zhong","Syntheses, structure, and magnetic properties of heteronuclear Cu(II)4Fe(III)4 cluster and Cu(II)8 bimetallacycles.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1102","1108","10.1039/c2dt31708g","","","0.71073","MoKα","","0.187","0.0812","","","0.1947","0.2438","","","","","","1.002","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022108","8.8102","0.0004","8.8297","0.0004","39.8492","0.0018","90","","90.181","0.002","90","","3099.9","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Bis(2,6-bis(pyrid-2-yl)pyrazine)iron(ii) ditetrafluoroborate nitromethane solvate","Bis(2,6-bis(pyrid-2-yl)pyrazine]iron(II) ditetrafluoroborate nitromethane solvate","","- C29 H23 B2 F8 Fe N9 O2 -","- C29 H23 B2 F8 Fe N9 O2 -","- C116 H92 B8 F32 Fe4 N36 O8 -","4","1","","Cook, Laurence J Kershaw; Tuna, Floriana; Halcrow, Malcolm A.","Iron(II) and cobalt(II) complexes of tris-azinyl analogues of 2,2':6',2''-terpyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2254","2265","10.1039/c2dt31736b","","","0.71073","MoKα","","0.0774","0.0715","","","0.168","0.1713","","","","","","1.099","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022109","8.7106","0.0011","8.7106","0.0011","19.178","0.002","90","","90","","90","","1455.1","0.3","150","2","150","2","","","","","","","","6","P -4 21 c","P -4 2n","114","Bis(2,6-di(pyrazinyl)pyridine)cobalt(ii) ditetrafluoroborate","Bis[2,6-di(pyrazinyl)pyridine]cobalt(II) ditetrafluoroborate","","- C26 H18 B2 Co F8 N10 -","- C26 H18 B2 Co F8 N10 -","- C52 H36 B4 Co2 F16 N20 -","2","0.25","","Cook, Laurence J Kershaw; Tuna, Floriana; Halcrow, Malcolm A.","Iron(II) and cobalt(II) complexes of tris-azinyl analogues of 2,2':6',2''-terpyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2254","2265","10.1039/c2dt31736b","","","0.71073","MoKα","","0.0635","0.0614","","","0.1314","0.1326","","","","","","1.132","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022110","11.506","0.002","14.577","0.003","23.349","0.004","90","","96.533","0.009","90","","3890.7","1.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Bis(2,6-bis(pyrimidin-4-yl)pyridine)iron(ii) ditetrafluoroborate tri-nitromethane solvate","Bis(2,6-bis(pyrimidin-4-yl)pyridine]iron(II) ditetrafluoroborate tri-nitromethane solvate","","- C29 H27 B2 F8 Fe N13 O6 -","- C29 H27 B2 F8 Fe N13 O6 -","- C116 H108 B8 F32 Fe4 N52 O24 -","4","1","","Cook, Laurence J Kershaw; Tuna, Floriana; Halcrow, Malcolm A.","Iron(II) and cobalt(II) complexes of tris-azinyl analogues of 2,2':6',2''-terpyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2254","2265","10.1039/c2dt31736b","","","0.71073","MoKα","","0.1171","0.0726","","","0.1944","0.2344","","","","","","1.034","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022111","18.672","0.004","10.146","0.002","15.074","0.003","90","","98.816","0.009","90","","2822","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(2,6-bis(pyrimidin-4-yl)pyridine)cobalt(ii) ditetrafluoroborate","Bis(2,6-bis(pyrimidin-4-yl)pyridine]cobalt(II) ditetrafluoroborate","","- C26 H18 B2 Co F8 N10 -","- C26 H18 B2 Co F8 N10 -","- C104 H72 B8 Co4 F32 N40 -","4","1","","Cook, Laurence J Kershaw; Tuna, Floriana; Halcrow, Malcolm A.","Iron(II) and cobalt(II) complexes of tris-azinyl analogues of 2,2':6',2''-terpyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2254","2265","10.1039/c2dt31736b","","","0.71073","MoKα","","0.063","0.0476","","","0.1364","0.1529","","","","","","1","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022112","10.739","","20.9","","23.604","","90","","97.12","","90","","5256.95","","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Cd N6 -","- C60 H76 Cd N6 -","- C240 H304 Cd4 N24 -","4","1","","Vignesh Babu, Heeralal; Muralidharan, Krishnamurthi","Zn(II), Cd(II) and Cu(II) complexes of 2,5-bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrole: synthesis, structures and their high catalytic activity for efficient cyclic carbonate synthesis.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1238","1248","10.1039/c2dt31755a","","","0.71073","MoKα","","0.0887","0.0754","","","0.1345","0.1392","","","","","","1.3","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022113","19.145","","21.378","","14.17","","90","","90","","90","","5799.52","","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C61 H80 Cd N6 O -","- C61 H80 Cd N6 O -","- C244 H320 Cd4 N24 O4 -","4","0.5","","Vignesh Babu, Heeralal; Muralidharan, Krishnamurthi","Zn(II), Cd(II) and Cu(II) complexes of 2,5-bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrole: synthesis, structures and their high catalytic activity for efficient cyclic carbonate synthesis.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1238","1248","10.1039/c2dt31755a","","","0.71073","MoKα","","0.0472","0.044","","","0.0984","0.1003","","","","","","1.161","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022114","18.87","","21.946","","13.737","","90","","90","","90","","5688.78","","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C61 H80 Cu N6 O -","- C61 H80 Cu N6 O -","- C244 H320 Cu4 N24 O4 -","4","0.5","","Vignesh Babu, Heeralal; Muralidharan, Krishnamurthi","Zn(II), Cd(II) and Cu(II) complexes of 2,5-bis{N-(2,6-diisopropylphenyl)iminomethyl}pyrrole: synthesis, structures and their high catalytic activity for efficient cyclic carbonate synthesis.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1238","1248","10.1039/c2dt31755a","","","0.71073","MoKα","","0.0717","0.0645","","","0.1377","0.1418","","","","","","1.222","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022115","11.587","0.002","28.862","0.006","6.71","0.0012","90","","114.655","0.004","90","","2039.4","0.7","291","2","291","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C38 H32 Fe2 Mn N14 O4 -","- C38 H32 Fe2 Mn N14 O4 -","- C76 H64 Fe4 Mn2 N28 O8 -","2","0.25","","Song, Xiao-Jiao; Muddassir, Mohd; Chen, Ying; Wang, Hui-Sheng; Song, You; You, Xiao-Zeng","Magnetic properties of two 2D complexes based on 1D chain containing [Fe(bpy)(CN)4]- unit.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1116","1121","10.1039/c2dt31757e","","","0.71073","MoKα","","0.0413","0.0377","","","0.1039","0.106","","","","","","1.053","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022116","11.1851","0.0009","29.1351","0.0008","6.8304","0.0005","90","","113.541","0.001","90","","2040.6","0.2","291","2","291","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C38 H32 Cu Fe2 N14 O4 -","- C38 H32 Cu Fe2 N14 O4 -","- C76 H64 Cu2 Fe4 N28 O8 -","2","0.25","","Song, Xiao-Jiao; Muddassir, Mohd; Chen, Ying; Wang, Hui-Sheng; Song, You; You, Xiao-Zeng","Magnetic properties of two 2D complexes based on 1D chain containing [Fe(bpy)(CN)4]- unit.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1116","1121","10.1039/c2dt31757e","","","0.71073","MoKα","","0.0736","0.055","","","0.126","0.1318","","","","","","1.068","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022117","9.7217","0.0004","11.9708","0.0005","16.5433","0.0007","100.423","0.002","104.614","0.002","96.408","0.002","1807.04","0.13","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Cl2 N4 Zr -","- C38 H48 Cl2 N4 Zr -","- C76 H96 Cl4 N8 Zr2 -","2","1","","El-Zoghbi, Ibrahim; Whitehorne, Todd J. J.; Schaper, Frank","Exceptionally high lactide polymerization activity of zirconium complexes with bridged diketiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9376","9387","10.1039/c2dt31761c","","","1.54178","CuKα","","0.0471","0.0327","","","0.0703","0.0734","","","","","","0.915","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022118","18.5065","0.0003","11.7278","0.0002","17.2506","0.0004","90","","112.842","0.001","90","","3450.46","0.12","200","","200","","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 N6 Zr -","- C36 H54 N6 Zr -","- C144 H216 N24 Zr4 -","4","0.5","","El-Zoghbi, Ibrahim; Whitehorne, Todd J. J.; Schaper, Frank","Exceptionally high lactide polymerization activity of zirconium complexes with bridged diketiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9376","9387","10.1039/c2dt31761c","","","1.54178","CuKα","","0.0275","0.0273","","","0.0726","0.0728","","","","","","1.098","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022119","10.9326","0.0011","11.2187","0.0012","16.3787","0.0016","82.459","0.005","71.522","0.005","65.213","0.005","1729.7","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 N4 O2 Zr -","- C36 H52 N4 O2 Zr -","- C72 H104 N8 O4 Zr2 -","2","1","","El-Zoghbi, Ibrahim; Whitehorne, Todd J. J.; Schaper, Frank","Exceptionally high lactide polymerization activity of zirconium complexes with bridged diketiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9376","9387","10.1039/c2dt31761c","","","1.54178","CuKα","","0.0391","0.0368","","","0.0958","0.1018","","","","","","1.107","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022120","11.4759","0.0009","14.9142","0.0012","18.6288","0.0014","90","","91.042","0.003","90","","3187.9","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 N4 Zr -","- C34 H48 N4 Zr -","- C136 H192 N16 Zr4 -","4","1","","El-Zoghbi, Ibrahim; Whitehorne, Todd J. J.; Schaper, Frank","Exceptionally high lactide polymerization activity of zirconium complexes with bridged diketiminate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9376","9387","10.1039/c2dt31761c","","","1.54178","CuKα","","0.0469","0.0446","","","0.1167","0.1179","","","","","","1.156","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022121","18.2245","0.0015","7.2396","0.0006","14.8995","0.0013","90","","112.193","0.004","90","","1820.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Cl N3 O4 Re -","- C18 H11 Cl N3 O4 Re -","- C72 H44 Cl4 N12 O16 Re4 -","4","1","","Mondal, Pallab; Hens, Amar; Basak, Sucharita; Rajak, Kajal Krishna","Mononuclear and dinuclear Re(I) complexes incorporating 1-(2-pyridylazo)-2-naphthol: synthesis, structure, spectral, DFT and TDDFT studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1536","1549","10.1039/c2dt31774e","","","0.71073","MoKα","","0.0278","0.0224","","","0.0538","0.0561","","","","","","1.114","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022122","9.328","0.005","9.625","0.005","11.929","0.005","83.557","0.005","68.824","0.005","78.41","0.005","977.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 Cl0 N3 O4 Re -","- C21 H16 N3 O4 Re -","- C42 H32 N6 O8 Re2 -","2","1","","Mondal, Pallab; Hens, Amar; Basak, Sucharita; Rajak, Kajal Krishna","Mononuclear and dinuclear Re(I) complexes incorporating 1-(2-pyridylazo)-2-naphthol: synthesis, structure, spectral, DFT and TDDFT studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1536","1549","10.1039/c2dt31774e","","","0.71073","MoKα","","0.0239","0.0229","","","0.0537","0.0541","","","","","","1.185","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022123","11.429","0.002","28.788","0.006","12.82","0.003","90","","112","0.03","90","","3910.9","1.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 Cl2 N3 O2 P2 Re -","- C43 H36 Cl2 N3 O2 P2 Re -","- C172 H144 Cl8 N12 O8 P8 Re4 -","4","1","","Mondal, Pallab; Hens, Amar; Basak, Sucharita; Rajak, Kajal Krishna","Mononuclear and dinuclear Re(I) complexes incorporating 1-(2-pyridylazo)-2-naphthol: synthesis, structure, spectral, DFT and TDDFT studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1536","1549","10.1039/c2dt31774e","","","0.71073","MoKα","","0.1003","0.0858","","","0.1579","0.1631","","","","","","1.346","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022124","9.7407","0.0007","11.6842","0.0008","14.5889","0.0009","102.85","0.006","104.501","0.006","104.832","0.006","1479.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C72 H56 N8 O8 -","4","2","","Singh, Roop Shikha; Yadav, Mahendra; Gupta, Rakesh Kumar; Pandey, Rampal; Pandey, Daya Shankar","Luminescent N,O-chelated chroman-BF2 complexes: structural variants of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1696","1707","10.1039/c2dt31820b","","","0.71073","MoKα","","0.1018","0.0471","","","0.1173","0.1261","","","","","","0.815","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022125","15.688","0.005","22.176","0.005","8.85","0.005","90","0.005","103.392","0.005","90","0.005","2995","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C152 H128 N16 O16 -","8","2","","Singh, Roop Shikha; Yadav, Mahendra; Gupta, Rakesh Kumar; Pandey, Rampal; Pandey, Daya Shankar","Luminescent N,O-chelated chroman-BF2 complexes: structural variants of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1696","1707","10.1039/c2dt31820b","","","0.71073","MoKα","","0.0941","0.0676","","","0.2065","0.2389","","","","","","1.049","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022126","7.5389","0.0005","9.8159","0.0005","9.8152","0.0006","90","","95.303","0.005","90","","723.23","0.08","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H11 B F2 N2 O2 -","- C18 H11 B F2 N2 O2 -","- C36 H22 B2 F4 N4 O4 -","2","1","","Singh, Roop Shikha; Yadav, Mahendra; Gupta, Rakesh Kumar; Pandey, Rampal; Pandey, Daya Shankar","Luminescent N,O-chelated chroman-BF2 complexes: structural variants of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1696","1707","10.1039/c2dt31820b","","","0.71073","MoKα","","0.0427","0.032","","","0.0603","0.0622","","","","","","0.886","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022127","12.4354","0.0007","16.4185","0.0009","7.8451","0.0005","90","","99.368","0.005","90","","1580.38","0.16","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H13 B F2 N2 O2 -","- C19 H13 B F2 N2 O2 -","- C76 H52 B4 F8 N8 O8 -","4","1","","Singh, Roop Shikha; Yadav, Mahendra; Gupta, Rakesh Kumar; Pandey, Rampal; Pandey, Daya Shankar","Luminescent N,O-chelated chroman-BF2 complexes: structural variants of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1696","1707","10.1039/c2dt31820b","","","0.71073","MoKα","","0.0346","0.0307","","","0.0677","0.0688","","","","","","1.055","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022128","6.2233","0.0015","21.974","0.005","13.118","0.003","90","","91.286","0.004","90","","1793.4","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 B F2 N2 O2 -","- C21 H17 B F2 N2 O2 -","- C84 H68 B4 F8 N8 O8 -","4","1","","Singh, Roop Shikha; Yadav, Mahendra; Gupta, Rakesh Kumar; Pandey, Rampal; Pandey, Daya Shankar","Luminescent N,O-chelated chroman-BF2 complexes: structural variants of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1696","1707","10.1039/c2dt31820b","","","0.71073","MoKα","","0.0828","0.0556","","","0.16","0.196","","","","","","0.964","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022129","9.2128","0.0009","9.6112","0.0007","10.0583","0.0006","77.842","0.006","71.347","0.007","88.204","0.007","824.29","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","","Singh, Roop Shikha; Yadav, Mahendra; Gupta, Rakesh Kumar; Pandey, Rampal; Pandey, Daya Shankar","Luminescent N,O-chelated chroman-BF2 complexes: structural variants of BODIPY.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1696","1707","10.1039/c2dt31820b","","","0.71073","MoKα","","0.0695","0.0539","","","0.1445","0.1564","","","","","","1.067","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022130","10.6283","0.0002","13.6543","0.0003","14.4484","0.0005","112.633","0.002","101.662","0.002","105.522","0.001","1751.53","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Bi4 N4 O24 -","- C28 H12 Bi4 N4 O24 -","- C56 H24 Bi8 N8 O48 -","2","1","","Zhang, Xiao-Ping; Tian, Han-Rui; Yan, Gu-Fan; Su, Ying; Feng, Yun-Long; Cheng, Jian-Wen","Incorporating different secondary building units of {Bi2}, {Bi8} and {Bi10} to construct diversity of luminescent bismuth-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1088","1093","10.1039/c2dt31821k","","","0.71073","MoKα","","0.0532","0.0324","","","0.0684","0.0756","","","","","","1.012","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022131","10.6201","0.0003","13.5967","0.0003","16.3708","0.0004","81.091","0.002","72.977","0.002","74.731","0.001","2172.79","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H30 Bi5 N5 O30 S0 -","- C35 H15 Bi5 N5 O30 -","- C70 H30 Bi10 N10 O60 -","2","1","","Zhang, Xiao-Ping; Tian, Han-Rui; Yan, Gu-Fan; Su, Ying; Feng, Yun-Long; Cheng, Jian-Wen","Incorporating different secondary building units of {Bi2}, {Bi8} and {Bi10} to construct diversity of luminescent bismuth-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1088","1093","10.1039/c2dt31821k","","","0.71073","MoKα","","0.0686","0.0393","","","0.0921","0.109","","","","","","1.036","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022132","15.344","0.002","9.1341","0.0013","6.3124","0.0009","90","","100.83","0.009","90","","868.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Bi N O6 -","- C7 H3 Bi N O6 -","- C28 H12 Bi4 N4 O24 -","4","1","","Zhang, Xiao-Ping; Tian, Han-Rui; Yan, Gu-Fan; Su, Ying; Feng, Yun-Long; Cheng, Jian-Wen","Incorporating different secondary building units of {Bi2}, {Bi8} and {Bi10} to construct diversity of luminescent bismuth-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1088","1093","10.1039/c2dt31821k","","","0.71073","MoKα","","0.0588","0.0484","","","0.1203","0.1374","","","","","","1.077","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022133","9.395","0.006","13.955","0.009","17.449","0.011","90","","93.387","0.011","90","","2284","3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H64 I2 P4 Pt2 -","- C34 H64 I2 P4 Pt2 -","- C68 H128 I4 P8 Pt4 -","2","0.5","","Shanmugaraju, Sankarasekaran; Bar, Arun Kumar; Jadhav, Harshal; Moon, Dohyun; Mukherjee, Partha Sarathi","Coordination self-assembly of tetranuclear Pt(II) macrocycles with an organometallic backbone for sensing of acyclic dicarboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2998","3008","10.1039/c2dt31828h","","","0.71073","MoKα","","0.1526","0.0817","","","0.1782","0.2153","","","","","","1.023","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022134","17.95","0.004","9.682","0.0019","37.661","0.008","90","","102.19","0.03","90","","6398","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C108 H152 N4 P8 Pt4 -","- C108 H152 N4 P8 Pt4 -","- C216 H304 N8 P16 Pt8 -","2","0.5","","Shanmugaraju, Sankarasekaran; Bar, Arun Kumar; Jadhav, Harshal; Moon, Dohyun; Mukherjee, Partha Sarathi","Coordination self-assembly of tetranuclear Pt(II) macrocycles with an organometallic backbone for sensing of acyclic dicarboxylic acids.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2998","3008","10.1039/c2dt31828h","","","0.75","synchrotron","","0.0729","0.0578","","","0.1748","0.1834","","","","","","1.133","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022135","33.321","0.007","9.807","0.002","7.8951","0.0016","90","","96.68","0.03","90","","2562.4","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H17 Cd O9 -","- C28 H17 Cd O9 -","- C112 H68 Cd4 O36 -","4","0.5","","Shi, Dabin; Ren, Yanwei; Jiang, Huanfeng; Lu, Jiaxian; Cheng, Xiaofei","A new three-dimensional metal-organic framework constructed from 9,10-anthracene dibenzoate and Cd(II) as a highly active heterogeneous catalyst for oxidation of alkylbenzenes.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","484","491","10.1039/c2dt31844j","","","0.71073","MoKα","","0.0637","0.041","","","0.0924","0.1234","","","","","","1.128","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022136","14.4768","0.0008","27.4432","0.0015","20.5602","0.0011","90","","94.116","0.001","90","","8147.3","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H60 F12 N6 O6 Zn3 -","- C102 H60 F12 N6 O6 Zn3 -","- C408 H240 F48 N24 O24 Zn12 -","4","1","","Yuan, Guozan; Huo, Yanping; Nie, Xiaoli; Jiang, Hong; Liu, Bin; Fang, Xiaoming; Zhao, Fenghua","Controllable supramolecular structures and luminescent properties of unique trimeric Zn(II) 8-hydroxyquinolinates tuned by functional substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2921","2929","10.1039/c2dt31846f","","","0.71073","MoKα","","0.1315","0.0518","","","0.1133","0.1483","","","","","","0.91","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022137","31.0821","0.0005","21.489","0.0004","16.0173","0.0002","90","","118.509","0.001","90","","9401.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H60 N18 O30 Zn3 -","- C102 H60 N18 O30 Zn3 -","- C408 H240 N72 O120 Zn12 -","4","0.5","","Yuan, Guozan; Huo, Yanping; Nie, Xiaoli; Jiang, Hong; Liu, Bin; Fang, Xiaoming; Zhao, Fenghua","Controllable supramolecular structures and luminescent properties of unique trimeric Zn(II) 8-hydroxyquinolinates tuned by functional substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2921","2929","10.1039/c2dt31846f","","","1.54178","CuKα","","0.0549","0.042","","","0.1111","0.1214","","","","","","1.027","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022138","22.142","0.0015","8.6629","0.0006","15.6854","0.0009","90","","91.506","0.004","90","","3007.6","0.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 N3 O5 -","- C17 H11 N3 O5 -","- C136 H88 N24 O40 -","8","1","","Yuan, Guozan; Huo, Yanping; Nie, Xiaoli; Jiang, Hong; Liu, Bin; Fang, Xiaoming; Zhao, Fenghua","Controllable supramolecular structures and luminescent properties of unique trimeric Zn(II) 8-hydroxyquinolinates tuned by functional substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2921","2929","10.1039/c2dt31846f","","","1.54178","CuKα","","0.0536","0.0395","","","0.1175","0.1217","","","","","","1.055","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022139","16.93","0.005","18.45","0.005","23.853","0.005","90","","105.522","0.005","90","","7179","3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75 H62 Ag4 N8 O P4 S4 -","- C75 H62 Ag4 N8 O P4 S4 -","- C300 H248 Ag16 N32 O4 P16 S16 -","4","1","","Bowmaker, Graham A.; Di Nicola, Corrado; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Robinson, Ward T.; Skelton, Brian W.; Sobolev, Alexandre N.; Tăbăcaru, Aurel; White, Allan H.","Oligo-nuclear silver thiocyanate complexes with monodentate tertiary phosphine ligands, including novel 'cubane' and 'step' tetramer forms of AgSCN : PR3 (1:1)4.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","277","291","10.1039/c2dt31853a","","","0.71073","MoKα","","0.1429","0.0614","","","0.1434","0.1733","","","","","","0.87","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022140","10.7034","0.0003","14.9825","0.0003","26.2157","0.0007","90","","99.792","0.003","90","","4142.8","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H132 Ag4 N4 P4 S4 -","- C76 H132 Ag4 N4 P4 S4 -","- C152 H264 Ag8 N8 P8 S8 -","2","0.5","","Bowmaker, Graham A.; Di Nicola, Corrado; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Robinson, Ward T.; Skelton, Brian W.; Sobolev, Alexandre N.; Tăbăcaru, Aurel; White, Allan H.","Oligo-nuclear silver thiocyanate complexes with monodentate tertiary phosphine ligands, including novel 'cubane' and 'step' tetramer forms of AgSCN : PR3 (1:1)4.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","277","291","10.1039/c2dt31853a","","","0.71073","MoKα","","0.098","0.0331","","","0.0575","0.0654","","","","","","0.784","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7022141","22.9","0.0005","11.7896","0.0002","22.6981","0.0004","90","","90","","90","","6128.1","0.2","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C70 H56 Ag2 N6 P4 S2 -","- C70 H56 Ag2 N6 P4 S2 -","- C280 H224 Ag8 N24 P16 S8 -","4","0.5","","Bowmaker, Graham A.; Di Nicola, Corrado; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Robinson, Ward T.; Skelton, Brian W.; Sobolev, Alexandre N.; Tăbăcaru, Aurel; White, Allan H.","Oligo-nuclear silver thiocyanate complexes with monodentate tertiary phosphine ligands, including novel 'cubane' and 'step' tetramer forms of AgSCN : PR3 (1:1)4.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","277","291","10.1039/c2dt31853a","","","0.7107","MoKα","","0.0885","0.0454","","","0.1171","0.1446","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7022142","13.358","0.0012","14.0634","0.0013","14.2421","0.0012","88.369","0.002","78.086","0.002","82.16","0.002","2593.4","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H50 Ag N2 P3 S -","- C60 H50 Ag N2 P3 S -","- C120 H100 Ag2 N4 P6 S2 -","2","1","","Bowmaker, Graham A.; Di Nicola, Corrado; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Robinson, Ward T.; Skelton, Brian W.; Sobolev, Alexandre N.; Tăbăcaru, Aurel; White, Allan H.","Oligo-nuclear silver thiocyanate complexes with monodentate tertiary phosphine ligands, including novel 'cubane' and 'step' tetramer forms of AgSCN : PR3 (1:1)4.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","277","291","10.1039/c2dt31853a","","","0.71073","MoKα","","0.0616","0.0464","","","0.125","0.1381","","","","","","1.004","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022143","13.276","0.007","13.78","0.01","14.313","0.003","89.17","0.05","79.22","0.03","80.4","0.06","2536","2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H53 Ag N3 P3 S -","- C57 H53 Ag N3 P3 S -","- C114 H106 Ag2 N6 P6 S2 -","2","1","","Bowmaker, Graham A.; Di Nicola, Corrado; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Robinson, Ward T.; Skelton, Brian W.; Sobolev, Alexandre N.; Tăbăcaru, Aurel; White, Allan H.","Oligo-nuclear silver thiocyanate complexes with monodentate tertiary phosphine ligands, including novel 'cubane' and 'step' tetramer forms of AgSCN : PR3 (1:1)4.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","277","291","10.1039/c2dt31853a","","","0.71073","MoKα","","0.0815","0.0488","","","0.1309","0.1672","","","","","","1.003","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022144","13.2746","0.0011","13.7113","0.0011","14.2718","0.0012","85.26","0.001","88.87","0.001","78.721","0.001","2538.7","0.4","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H48.5 Ag As3 N1.5 S -","- C58 H48.5 Ag As3 N1.5 S -","- C116 H97 Ag2 As6 N3 S2 -","2","1","","Bowmaker, Graham A.; Di Nicola, Corrado; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Robinson, Ward T.; Skelton, Brian W.; Sobolev, Alexandre N.; Tăbăcaru, Aurel; White, Allan H.","Oligo-nuclear silver thiocyanate complexes with monodentate tertiary phosphine ligands, including novel 'cubane' and 'step' tetramer forms of AgSCN : PR3 (1:1)4.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","277","291","10.1039/c2dt31853a","","","0.71073","MoKα","","0.063","0.0415","","","0.0983","0.1063","","","","","","1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022145","11.37","0.011","11.025","0.008","10.3","0.011","111.52","0.08","98.98","0.08","115.77","0.07","1002","2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Ag2 N2 P2 S2 -","- C44 H42 Ag2 N2 P2 S2 -","- C44 H42 Ag2 N2 P2 S2 -","1","0.5","","Bowmaker, Graham A.; Di Nicola, Corrado; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Robinson, Ward T.; Skelton, Brian W.; Sobolev, Alexandre N.; Tăbăcaru, Aurel; White, Allan H.","Oligo-nuclear silver thiocyanate complexes with monodentate tertiary phosphine ligands, including novel 'cubane' and 'step' tetramer forms of AgSCN : PR3 (1:1)4.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","277","291","10.1039/c2dt31853a","","","0.71073","MoKα","","0.0365","0.0287","","","0.0692","0.075","","","","","","1.002","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022146","14.432","0.005","14.422","0.005","11.203","0.001","95.85","0.03","107.33","0.02","94.05","0.03","2201.8","1.1","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H136.5 Ag4 N5.5 P4 S4 -","- C79 H136.5 Ag4 N5.5 P4 S4 -","- C79 H136.5 Ag4 N5.5 P4 S4 -","1","0.5","","Bowmaker, Graham A.; Di Nicola, Corrado; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Robinson, Ward T.; Skelton, Brian W.; Sobolev, Alexandre N.; Tăbăcaru, Aurel; White, Allan H.","Oligo-nuclear silver thiocyanate complexes with monodentate tertiary phosphine ligands, including novel 'cubane' and 'step' tetramer forms of AgSCN : PR3 (1:1)4.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","277","291","10.1039/c2dt31853a","","","0.71073","MoKα","","0.113","0.053","","","0.05","0.062","","","","","","1.605","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022147","9.3067","0.0004","11.2705","0.0006","19.6439","0.001","81.971","0.004","87.408","0.004","78.2","0.004","1996.86","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Ag2 N2 P2 S2 -","- C44 H42 Ag2 N2 P2 S2 -","- C88 H84 Ag4 N4 P4 S4 -","2","1","","Bowmaker, Graham A.; Di Nicola, Corrado; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Robinson, Ward T.; Skelton, Brian W.; Sobolev, Alexandre N.; Tăbăcaru, Aurel; White, Allan H.","Oligo-nuclear silver thiocyanate complexes with monodentate tertiary phosphine ligands, including novel 'cubane' and 'step' tetramer forms of AgSCN : PR3 (1:1)4.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","277","291","10.1039/c2dt31853a","","","0.71073","MoKα","","0.0917","0.039","","","0.0641","0.0697","","","","","","0.807","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022148","10.053","0.0003","11.5924","0.0003","12.9469","0.0004","111.821","0.001","94.24","0.001","101.03","0.001","1357.3","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H37 Cl2 Co N2 O4 -","- C29 H37 Cl2 Co N2 O4 -","- C58 H74 Cl4 Co2 N4 O8 -","2","1","","Jeon, Jong Yeob; Lee, Jung Jae; Varghese, Jobi Kodiyan; Na, Sung Jae; Sujith, S.; Go, Min Jeong; Lee, Junseong; Ok, Myung-Ahn; Lee, Bun Yeoul","CO2/ethylene oxide copolymerization and ligand variation for a highly active salen-cobalt(III) complex tethering 4 quaternary ammonium salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9245","9254","10.1039/c2dt31854g","","","0.71073","MoKα","","0.031","0.0289","","","0.0779","0.0804","","","","","","1.015","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022149","9.8572","0.0007","12.4423","0.0009","17.1598","0.0012","111.16","0.002","102.001","0.003","91.009","0.003","1909.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H39 Cl2 Co N2 O5 -","- C41.996 H38.992 Cl1.992 Co N2 O5 -","- C83.992 H77.984 Cl3.984 Co2 N4 O10 -","2","1","","Jeon, Jong Yeob; Lee, Jung Jae; Varghese, Jobi Kodiyan; Na, Sung Jae; Sujith, S.; Go, Min Jeong; Lee, Junseong; Ok, Myung-Ahn; Lee, Bun Yeoul","CO2/ethylene oxide copolymerization and ligand variation for a highly active salen-cobalt(III) complex tethering 4 quaternary ammonium salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9245","9254","10.1039/c2dt31854g","","","0.71073","MoKα","","0.0377","0.031","","","0.0915","0.1012","","","","","","1.104","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022150","24.891","0.005","11.215","0.002","7.3326","0.0015","90","","104.8","0.03","90","","1979","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Co N2 O2 -","- C23 H26 Co N2 O2 -","- C92 H104 Co4 N8 O8 -","4","0.5","","Jeon, Jong Yeob; Lee, Jung Jae; Varghese, Jobi Kodiyan; Na, Sung Jae; Sujith, S.; Go, Min Jeong; Lee, Junseong; Ok, Myung-Ahn; Lee, Bun Yeoul","CO2/ethylene oxide copolymerization and ligand variation for a highly active salen-cobalt(III) complex tethering 4 quaternary ammonium salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9245","9254","10.1039/c2dt31854g","","","0.71073","MoKα","","0.1029","0.0564","","","0.1088","0.1205","","","","","","1.042","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022151","7.315","0.001","18.345","0.002","9.067","0.001","90","","109.02","0.01","90","","1150.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H14 Au I3 N2 S4 -","- C16 H14 Au I3 N2 S4 -","- C32 H28 Au2 I6 N4 S8 -","2","0.5","","Isaia, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Demartin, Francesco; Garau, Alessandra; Lippolis, Vito","Gold oxidative dissolution by (thioamide)-I2 adducts.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","492","498","10.1039/c2dt31855e","","","0.71073","MoKα","","0.0641","0.0487","","","0.1154","0.1187","","","","","","0.842","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022152","12.715","0.0011","9.2572","0.0008","13.6661","0.0012","90","","107.36","0.01","90","","1535.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Au I7 N4 S2 -","- C16 H18 Au I7 N4 S2 -","- C32 H36 Au2 I14 N8 S4 -","2","0.5","","Isaia, Francesco; Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Demartin, Francesco; Garau, Alessandra; Lippolis, Vito","Gold oxidative dissolution by (thioamide)-I2 adducts.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","492","498","10.1039/c2dt31855e","","","0.71073","MoKα","","0.0482","0.0385","","","0.1272","0.1315","","","","","","1.044","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022153","13.693","0.004","16.488","0.005","17.561","0.006","90","","99.135","0.006","90","","3914","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H48 Hf N2 -","- C51 H48 Hf N2 -","- C204 H192 Hf4 N8 -","4","1","","Nifant'ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Nagy, Sandor M.; Winslow, Linda N.; Merrick-Mack, Jean A; Mihan, Shahram; Churakov, Andrei V.","Zirconium and hafnium complexes based on 2-aryl-8-arylaminoquinoline ligands: synthesis, molecular structure, and catalytic performance in ethylene copolymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1501","1511","10.1039/c2dt31856c","","","0.71073","MoKα","","0.0977","0.051","","","0.0933","0.1033","","","","","","0.923","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022154","8.053","0.0005","19.117","0.0011","20.0917","0.0012","90","","101.416","0.001","90","","3031.9","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 Hf N2 -","- C41 H34 Hf N2 -","- C164 H136 Hf4 N8 -","4","1","","Nifant'ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Nagy, Sandor M.; Winslow, Linda N.; Merrick-Mack, Jean A; Mihan, Shahram; Churakov, Andrei V.","Zirconium and hafnium complexes based on 2-aryl-8-arylaminoquinoline ligands: synthesis, molecular structure, and catalytic performance in ethylene copolymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1501","1511","10.1039/c2dt31856c","","","0.71073","MoKα","","0.0433","0.0262","","","0.0532","0.0571","","","","","","1.018","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022155","14.66","0.003","13.776","0.002","16.926","0.003","90","","114.325","0.002","90","","3114.8","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 N2 Zr -","- C41 H34 N2 Zr -","- C164 H136 N8 Zr4 -","4","1","","Nifant'ev, Ilya E.; Ivchenko, Pavel V.; Bagrov, Vladimir V.; Nagy, Sandor M.; Winslow, Linda N.; Merrick-Mack, Jean A; Mihan, Shahram; Churakov, Andrei V.","Zirconium and hafnium complexes based on 2-aryl-8-arylaminoquinoline ligands: synthesis, molecular structure, and catalytic performance in ethylene copolymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1501","1511","10.1039/c2dt31856c","","","0.71073","MoKα","","0.0683","0.0495","","","0.1361","0.1426","","","","","","1.079","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022156","11.7239","0.0004","12.3813","0.0003","15.3188","0.0004","70.686","0.003","68.015","0.003","88.073","0.002","1935.53","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H22 Ag N3 O7 S2 -","- C20.6667 H24.6667 Ag1.33333 N3.33333 O10.6667 S2 -","- C62 H74 Ag4 N10 O32 S6 -","3","1.5","","Sabounchei, Seyyed Javad; Akhlaghi Bagherjeri, Fateme; Mozafari, Zeinab; Boskovic, Colette; Gable, Robert W.; Karamian, Roya; Asadbegy, Mostafa","Synthesis and characterization of novel simultaneous C and O-coordinated and nitrate-bridged complexes of silver(I) with carbonyl-stabilized sulfonium ylides and their antibacterial activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2520","2529","10.1039/c2dt31902k","","","0.71073","MoKα","","0.0539","0.0365","","","0.1051","0.1258","","","","","","0.852","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022157","10.6373","0.0004","11.2057","0.0003","23.4336","0.0006","80.762","0.002","83.424","0.003","71.797","0.003","2612.87","0.15","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C20.5 H25 Ag N3 O9.5 S2 -","- C20.25 Ag N3 O9.5 S2 -","- C81 Ag4 N12 O38 S8 -","4","2","","Sabounchei, Seyyed Javad; Akhlaghi Bagherjeri, Fateme; Mozafari, Zeinab; Boskovic, Colette; Gable, Robert W.; Karamian, Roya; Asadbegy, Mostafa","Synthesis and characterization of novel simultaneous C and O-coordinated and nitrate-bridged complexes of silver(I) with carbonyl-stabilized sulfonium ylides and their antibacterial activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2520","2529","10.1039/c2dt31902k","","","1.54184","CuKα","","0.0671","0.0599","","","0.1763","0.1856","","","","","","0.95","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022158","8.45746","0.00019","9.22142","0.00017","30.5647","0.0007","90","","90","","90","","2383.73","0.09","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Ag N O5 S2 -","- C16 Ag1.6 N1.6 O6.4 S1.6 -","- C80 Ag8 N8 O32 S8 -","5","0.625","","Sabounchei, Seyyed Javad; Akhlaghi Bagherjeri, Fateme; Mozafari, Zeinab; Boskovic, Colette; Gable, Robert W.; Karamian, Roya; Asadbegy, Mostafa","Synthesis and characterization of novel simultaneous C and O-coordinated and nitrate-bridged complexes of silver(I) with carbonyl-stabilized sulfonium ylides and their antibacterial activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2520","2529","10.1039/c2dt31902k","","","1.54184","CuKα","","0.0417","0.0384","","","0.1417","0.1486","","","","","","1.283","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022159","13.3938","0.0008","18.7363","0.0012","20.5867","0.0013","90","","97.489","0.001","90","","5122.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H74 Lu N3 Si2 -","- C53 H74 Lu N3 Si2 -","- C212 H296 Lu4 N12 Si8 -","4","1","","Du, Gaixia; Wei, Yanling; Zhang, Wei; Dong, Yuping; Lin, Zhengguo; He, Huan; Zhang, Shaowen; Li, Xiaofang","Bis(imino)diphenylamido rare-earth metal dialkyl complexes: synthesis, structure, and catalytic activity in living ring-opening ε-caprolactone polymerization and copolymerization with γ-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1278","1286","10.1039/c2dt31932b","","","0.71073","MoKα","","0.0229","0.0204","","","0.0731","0.087","","","","","","1.198","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022160","13.661","0.002","18.871","0.003","20.672","0.003","90","","97.225","0.005","90","","5286.9","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H74 N3 Sc Si2 -","- C53 H74 N3 Sc Si2 -","- C212 H296 N12 Sc4 Si8 -","4","1","","Du, Gaixia; Wei, Yanling; Zhang, Wei; Dong, Yuping; Lin, Zhengguo; He, Huan; Zhang, Shaowen; Li, Xiaofang","Bis(imino)diphenylamido rare-earth metal dialkyl complexes: synthesis, structure, and catalytic activity in living ring-opening ε-caprolactone polymerization and copolymerization with γ-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1278","1286","10.1039/c2dt31932b","","","0.71073","MoKα","","0.0648","0.0446","","","0.106","0.1232","","","","","","1.055","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022161","13.5064","0.0008","18.8267","0.0011","20.6945","0.0012","90","","97.347","0.001","90","","5219","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H74 N3 Si2 Y -","- C53 H74 N3 Si2 Y -","- C212 H296 N12 Si8 Y4 -","4","1","","Du, Gaixia; Wei, Yanling; Zhang, Wei; Dong, Yuping; Lin, Zhengguo; He, Huan; Zhang, Shaowen; Li, Xiaofang","Bis(imino)diphenylamido rare-earth metal dialkyl complexes: synthesis, structure, and catalytic activity in living ring-opening ε-caprolactone polymerization and copolymerization with γ-butyrolactone.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1278","1286","10.1039/c2dt31932b","","","0.71073","MoKα","","0.0488","0.0329","","","0.0725","0.0782","","","","","","1.017","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022162","7.2946","0.0002","13.3456","0.0004","20.1964","0.0006","100.91","","91.88","","105.07","","1857.22","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H38 Cu4 N8 O27 S2 -","- C20 H38 Cu4 N8 O27 S2 -","- C40 H76 Cu8 N16 O54 S4 -","2","1","","Yang, En-Cui; Liu, Zhong-Yi; Zhang, Cui-Hua; Yang, You-Li; Zhao, Xiao-Jun","Structural diversity directed by switchable coordination of substitute groups in a ternary Cu(II)-triazole-sulfoisophthalate self-assembly system: synthesis, crystal structures and magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1581","1590","10.1039/c2dt31935g","","","0.71073","MoKα","","0.0271","0.025","","","0.0654","0.067","","","","","","1.049","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022163","7.5539","0.0003","8.5875","0.0003","24.4454","0.001","90","","105.866","0.001","90","","1525.34","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu2 N4 O10 S -","- C10 H12 Cu2 N4 O10 S -","- C40 H48 Cu8 N16 O40 S4 -","4","1","","Yang, En-Cui; Liu, Zhong-Yi; Zhang, Cui-Hua; Yang, You-Li; Zhao, Xiao-Jun","Structural diversity directed by switchable coordination of substitute groups in a ternary Cu(II)-triazole-sulfoisophthalate self-assembly system: synthesis, crystal structures and magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1581","1590","10.1039/c2dt31935g","","","0.71073","MoKα","","0.0205","0.0196","","","0.0537","0.0542","","","","","","1.042","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022164","10.243","0.008","11.126","0.004","11.904","0.005","117.615","0.005","98.559","0.008","107.441","0.008","1078.3","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H34 Cu3 N16 O20 S2 -","- C24 H30 Cu3 N16 O20 S2 -","- C24 H30 Cu3 N16 O20 S2 -","1","0.5","","Yang, En-Cui; Liu, Zhong-Yi; Zhang, Cui-Hua; Yang, You-Li; Zhao, Xiao-Jun","Structural diversity directed by switchable coordination of substitute groups in a ternary Cu(II)-triazole-sulfoisophthalate self-assembly system: synthesis, crystal structures and magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1581","1590","10.1039/c2dt31935g","","","0.71073","MoKα","","0.0514","0.0421","","","0.1132","0.1192","","","","","","1.061","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022165","25.056","0.015","17.915","0.011","21.16","0.012","90","","112.998","0.009","90","","8743","9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H41.5 Cu3 N16 O21.75 S2 -","- C24 H26 Cu3 N16 O17.75 S2 -","- C192 H208 Cu24 N128 O142 S16 -","8","1","","Yang, En-Cui; Liu, Zhong-Yi; Zhang, Cui-Hua; Yang, You-Li; Zhao, Xiao-Jun","Structural diversity directed by switchable coordination of substitute groups in a ternary Cu(II)-triazole-sulfoisophthalate self-assembly system: synthesis, crystal structures and magnetic behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1581","1590","10.1039/c2dt31935g","","","0.71073","MoKα","","0.0931","0.0633","","","0.1726","0.1862","","","","","","1.054","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022166","5.1706","0.0005","8.9382","0.0005","5.1635","0.00024","90","","109.49","0.006","90","","224.96","0.03","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","Li4FeSbO6","","","- Fe Li4 O6 Sb -","- Fe Li4 O6 Sb -","- Fe2 Li8 O12 Sb2 -","2","0.25","","Zvereva, E. A.; Savelieva, O. A.; Titov, Ya D.; Evstigneeva, M. A.; Nalbandyan, V. B.; Kao, C. N.; Lin, J.-Y.; Presniakov, I. A.; Sobolev, A. V.; Ibragimov, S. A.; Abdel-Hafiez, M; Krupskaya, Yu; Jähne, C; Tan, G.; Klingeler, R.; Büchner, B; Vasiliev, A. N.","A new layered triangular antiferromagnet Li4FeSbO6: spin order, field-induced transitions and anomalous critical behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1550","1566","10.1039/c2dt31938a","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.14085","","2.52","","","","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022167","14.239","0.007","13.204","0.007","18.42","0.009","90","","95.586","0.006","90","","3447","3","163","2","163","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H82 Cl4 Cr2 N4 O6 -","- C60 H78 Cr2 N4 O6 -","- C120 H156 Cr4 N8 O12 -","2","0.5","","Dean, Rebecca K.; Devaine-Pressing, Katalin; Dawe, Louise N.; Kozak, Christopher M.","Reaction of CO2 with propylene oxide and styrene oxide catalyzed by a chromium(III) amine-bis(phenolate) complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9233","9244","10.1039/c2dt31942j","","","0.71075","MoKα","","0.0903","0.0791","","","0.2262","0.2384","","","","","","1.064","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022168","15.381","0.002","16.819","0.003","14.024","0.002","90","","100.337","0.003","90","","3569","0.9","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 Cl3 Mn3 N6 O8 -","- C33 H30 Cl3 Mn3 N6 O8 -","- C132 H120 Cl12 Mn12 N24 O32 -","4","1","","Bai, Yue-Ling; Bao, Xiaoli; Zhu, Shourong; Fang, Jianhui; Tao, Jun","Ligand field effect tuned magnetic behaviors of two chain compounds based on Mn(III)3O units: from slow magnetic relaxation to metamagnetism.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1033","1038","10.1039/c2dt31944f","","","0.71073","MoKα","","0.0742","0.0634","","","0.1492","0.1553","","","","","","1.116","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022169","7.6085","0.0011","41.541","0.006","13.1293","0.0018","90","","100.939","0.002","90","","4074.3","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H42 Cl3 Mn3 N6 O10 -","- C37 H42 Cl3 Mn3 N6 O10 -","- C148 H168 Cl12 Mn12 N24 O40 -","4","1","","Bai, Yue-Ling; Bao, Xiaoli; Zhu, Shourong; Fang, Jianhui; Tao, Jun","Ligand field effect tuned magnetic behaviors of two chain compounds based on Mn(III)3O units: from slow magnetic relaxation to metamagnetism.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1033","1038","10.1039/c2dt31944f","","","0.71073","MoKα","","0.0998","0.0967","","","0.1821","0.1836","","","","","","1.337","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022170","12.168","0.005","13.46","0.005","14.191","0.005","105.129","0.005","111.458","0.005","105.677","0.005","1907.3","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 Cu5 Mo12 N30 O47 Si -","- C36 H34 Cu5 Mo12 N30 O47 Si -","- C36 H34 Cu5 Mo12 N30 O47 Si -","1","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Li, Meng-Ting; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Sun, Long-Jiang","Secondary spacer modulated assembly of polyoxometalate based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1667","1677","10.1039/c2dt31951a","","","0.71069","MoKα","","0.1211","0.0749","","","0.1458","0.1689","","","","","","1.038","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022171","11.518","0.005","11.898","0.005","15.108","0.005","78.678","0.005","70.577","0.005","70.663","0.005","1833.8","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H32 Cu3 Mo12 N24 O40 Si -","- C44 H32 Cu3 Mo12 N24 O40 Si -","- C44 H32 Cu3 Mo12 N24 O40 Si -","1","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Li, Meng-Ting; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Sun, Long-Jiang","Secondary spacer modulated assembly of polyoxometalate based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1667","1677","10.1039/c2dt31951a","","","0.71069","MoKα","","0.2123","0.1135","","","0.2282","0.2566","","","","","","1.054","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022172","22.69","0.006","13.916","0.004","20.317","0.005","90","","98.975","0.004","90","","6337","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu3 N20 O46 Si W12 -","- C24 H20 Cu3 N20 O46 Si W12 -","- C96 H80 Cu12 N80 O184 Si4 W48 -","4","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Li, Meng-Ting; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Sun, Long-Jiang","Secondary spacer modulated assembly of polyoxometalate based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1667","1677","10.1039/c2dt31951a","","","0.71069","MoKα","","0.1856","0.1256","","","0.2342","0.2586","","","","","","1.124","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022173","14.123","0.005","22.071","0.005","23.477","0.005","90","","125.865","0.013","90","","5930","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Cu3 N18 O92 Si2 W24 -","- C52 H52 Cu3 N18 O92 Si2 W24 -","- C104 H104 Cu6 N36 O184 Si4 W48 -","2","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Li, Meng-Ting; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Sun, Long-Jiang","Secondary spacer modulated assembly of polyoxometalate based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1667","1677","10.1039/c2dt31951a","","","0.71069","MoKα","","0.1149","0.075","","","0.1783","0.2021","","","","","","1.034","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022174","12.637","0.005","12.944","0.005","13.411","0.005","65","0.005","85.878","0.005","61.512","0.005","1724.1","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Cu4 N14 O43 Si W12 -","- C36 H26 Cu4 N14 O43 Si W12 -","- C36 H26 Cu4 N14 O43 Si W12 -","1","0.5","","Sha, Jing-Quan; Sun, Jing-Wen; Li, Meng-Ting; Wang, Cheng; Li, Guang-Ming; Yan, Peng-Fei; Sun, Long-Jiang","Secondary spacer modulated assembly of polyoxometalate based metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1667","1677","10.1039/c2dt31951a","","","0.71069","MoKα","","0.1143","0.0881","","","0.1924","0.2028","","","","","","1.154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022175","10.155","0.005","14.998","0.005","15.195","0.005","101.232","0.005","98.832","0.005","102.174","0.005","2172.7","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H31.5 O19.5 Zn4 -","- C44 H28 O19.5 Zn4 -","- C88 H56 O39 Zn8 -","2","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Bing-Kun; Ma, Jian-Fang","Syntheses, structures, photoluminescence, photocatalysis, and photoelectronic effects of 3D mixed high-connected metal-organic frameworks based on octanuclear and dodecanuclear secondary building units.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1567","1580","10.1039/c2dt31964k","","","0.71073","MoKα","","0.0823","0.0502","","","0.1146","0.1292","","","","","","1.033","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022176","10.345","0.0003","13.736","0.0005","17.502","0.0007","70.636","0.003","88.437","0.003","88.257","0.002","2344.85","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H32 Na O21 Zn5 -","- C46 H32 Na O21 Zn5 -","- C92 H64 Na2 O42 Zn10 -","2","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Bing-Kun; Ma, Jian-Fang","Syntheses, structures, photoluminescence, photocatalysis, and photoelectronic effects of 3D mixed high-connected metal-organic frameworks based on octanuclear and dodecanuclear secondary building units.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1567","1580","10.1039/c2dt31964k","","","0.71073","MoKα","","0.0938","0.0548","","","0.1001","0.1148","","","","","","1.03","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022177","10.43","0.0003","15.003","0.0005","15.431","0.0005","102.338","0.003","93.09","0.003","97.491","0.003","2330.41","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H23 Cd4 N2 O18.5 -","- C48 H23 Cd4 N2 O18.5 -","- C96 H46 Cd8 N4 O37 -","2","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Bing-Kun; Ma, Jian-Fang","Syntheses, structures, photoluminescence, photocatalysis, and photoelectronic effects of 3D mixed high-connected metal-organic frameworks based on octanuclear and dodecanuclear secondary building units.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1567","1580","10.1039/c2dt31964k","","","0.71069","MoKα","","0.0804","0.0561","","","0.1011","0.1099","","","","","","1.135","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022178","10.523","0.0006","14.448","0.001","15.844","0.0009","98.097","0.005","106.765","0.005","95.065","0.005","2262.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H27 N3 O17.5 Zn4 -","- C48 H27 N3 O17.5 Zn4 -","- C96 H54 N6 O35 Zn8 -","2","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Bing-Kun; Ma, Jian-Fang","Syntheses, structures, photoluminescence, photocatalysis, and photoelectronic effects of 3D mixed high-connected metal-organic frameworks based on octanuclear and dodecanuclear secondary building units.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1567","1580","10.1039/c2dt31964k","","","0.71069","MoKα","","0.1138","0.0597","","","0.0954","0.1144","","","","","","1.017","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022179","22.6778","0.0008","24.1597","0.0015","25.3477","0.0016","66.5806","0.001","81.054","0.001","88.037","0.0012","12582.8","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H90 N12 O30 Zn6 -","- C138 H90 N12 O30 Zn6 -","- C276 H180 N24 O60 Zn12 -","2","1","","Gong, Yun; Li, Jian; Jiang, Peng-Gang; Li, Qing-Fang; Lin, Jian-Hua","Novel metal(II) coordination polymers based on N,N'-bis-(4-pyridyl)phthalamide as supercapacitor electrode materials in an aqueous electrolyte.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1603","1611","10.1039/c2dt31965a","","","1.54184","CuKα","","0.1054","0.0874","","","0.2299","0.2497","","","","","","1.06","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022180","20.3874","0.0019","19.5406","0.0017","14.9256","0.0013","90","","94.379","0.001","90","","5928.7","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H33.5 Cd2 N8 O12.75 S2 -","- C48 H33.5 Cd2 N8 O12.75 S2 -","- C192 H134 Cd8 N32 O51 S8 -","4","1","","Gong, Yun; Li, Jian; Jiang, Peng-Gang; Li, Qing-Fang; Lin, Jian-Hua","Novel metal(II) coordination polymers based on N,N'-bis-(4-pyridyl)phthalamide as supercapacitor electrode materials in an aqueous electrolyte.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1603","1611","10.1039/c2dt31965a","","","0.71073","MoKα","","0.0831","0.049","","","0.1262","0.139","","","","","","0.986","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022181","18.1435","0.0018","7.9332","0.0008","17.2163","0.0017","90","","105.387","0.002","90","","2389.2","0.4","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H15 N9 O5 Zn2 -","- C19 H15 N9 O5 Zn2 -","- C76 H60 N36 O20 Zn8 -","4","1","","Hou, Lei; Jia, Li-Na; Shi, Wen-Juan; Wang, Yao-Yu; Liu, Bo; Shi, Qi-Zhen","A polar tetrazolyl-carboxyl microporous Zn(II)-MOF: sorption and luminescent properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3653","3659","10.1039/c2dt31968c","","","0.71073","MoKα","","0.0458","0.0422","","","0.106","0.1084","","","","","","1.032","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022182","12.8","0.003","14.108","0.003","16.996","0.003","108.23","0.03","97.53","0.03","99.3","0.03","2822.3","1.3","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H60 Cl2 N6 Ni2 O8 S2 -","- C36 H60 Cl2 N6 Ni2 O8 S2 -","- C72 H120 Cl4 N12 Ni4 O16 S4 -","2","1","","Lehmann, Ulrike; Lach, Jochen; Loose, Claudia; Hahn, Torsten; Kersting, Berthold; Kortus, Jens","Binuclear nickel complexes with an edge sharing bis(square-pyramidal) N3Ni(μ-S2)NiN3 core: synthesis, characterization, crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","987","996","10.1039/c2dt31973j","","","0.71073","MoKα","","0.0915","0.0674","","","0.1872","0.1987","","","","","","1.022","","","","has coordinates,has disorder","179926","2020-10-21","18:00:00",""
"7022183","16.917","0.003","23.635","0.005","19.856","0.004","90","","90","","90","","7939","3","200","2","200","2","","","","","","","Crystals were obtained by recrystallization from MeCN/MeOH.","7","P n m a","-P 2ac 2n","62","","","","- C85 H104 B2 N6 Ni2 O S2 -","- C85 H105 B2 N6 Ni2 O S2 -","- C340 H420 B8 N24 Ni8 O4 S8 -","4","0.5","","Lehmann, Ulrike; Lach, Jochen; Loose, Claudia; Hahn, Torsten; Kersting, Berthold; Kortus, Jens","Binuclear nickel complexes with an edge sharing bis(square-pyramidal) N3Ni(μ-S2)NiN3 core: synthesis, characterization, crystal structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","987","996","10.1039/c2dt31973j","","","0.71073","MoKα","","0.1304","0.0592","","","0.1188","0.1393","","","","","","0.906","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022184","9.9819","0.0002","10.0605","0.0002","12.3107","0.0003","83.6209","0.0008","69.1742","0.0008","76.6715","0.001","1123.8","0.04","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H27 Al Cl Mn N2 O2 -","- C21 H27 Al Cl Mn N2 O2 -","- C42 H54 Al2 Cl2 Mn2 N4 O4 -","2","1","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","0.71073","MoKα","","0.0517","0.034","","0.0711","0.0571","0.0711","","","","","","0.9218","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022185","9.9088","0.0002","12.3092","0.0003","17.7168","0.0004","90","","93.0773","0.001","90","","2157.79","0.08","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Al Cl Fe N2 O2 -","- C20 H24 Al Cl Fe N2 O2 -","- C80 H96 Al4 Cl4 Fe4 N8 O8 -","4","1","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","0.71073","MoKα","","0.0675","0.0458","","0.1365","0.1224","0.1365","","","","","","0.9274","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022186","18.7208","0.0008","10.1409","0.0004","12.0592","0.0006","90","","91.8321","0.0019","90","","2288.22","0.18","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H36 Al Cl2 N3 -","- C19 H36 Al Cl2 N3 -","- C76 H144 Al4 Cl8 N12 -","4","0.5","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","0.71073","MoKα","","0.0507","0.0405","","0.1077","0.1023","0.1077","","","","","","0.9841","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022187","13.4052","0.0003","11.0555","0.0002","11.9482","0.0002","90","","113.507","0.0009","90","","1623.78","0.06","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H19 Al Cl2 N2 -","- C13 H19 Al Cl2 N2 -","- C52 H76 Al4 Cl8 N8 -","4","0.5","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","0.71073","MoKα","","0.0349","0.0312","","0.0884","0.0835","0.0884","","","","","","0.8663","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022188","9.8974","0.0006","11.2803","0.0006","12.8172","0.0008","81.952","0.003","83.391","0.003","82.656","0.002","1398.37","0.14","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H41 Al Cl Fe N3 O2 -","- C26 H41 Al Cl Fe N3 O2 -","- C52 H82 Al2 Cl2 Fe2 N6 O4 -","2","1","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","0.71073","MoKα","","0.1082","0.0621","","0.1224","0.1047","0.1224","","","","","","0.9833","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022189","8.7289","0.0001","15.484","0.0002","17.7812","0.0003","92.0036","0.0007","92.5025","0.0007","100.719","0.0006","2356.82","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H33 Al Cl Fe N3 O2 -","- C20 H33 Al Cl Fe N3 O2 -","- C80 H132 Al4 Cl4 Fe4 N12 O8 -","4","2","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","0.71073","MoKα","","0.0924","0.0724","","0.2072","0.1886","0.2072","","","","","","0.9869","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022190","8.1221","0.0001","10.1843","0.0001","18.3237","0.0002","94.1715","0.0005","95.1909","0.0005","110.944","0.0006","1400.72","0.03","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H41 Al Cl N3 O2 Ru -","- C26 H41 Al Cl N3 O2 Ru -","- C52 H82 Al2 Cl2 N6 O4 Ru2 -","2","1","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","0.71073","MoKα","","0.0366","0.0302","","0.072","0.0652","0.072","","","","","","0.9078","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022191","10.5121","0.0004","11.4183","0.0004","14.4923","0.0006","89.0196","0.0018","71.366","0.002","80.7037","0.0015","1625.57","0.11","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C31 H51 Al Cl Fe N3 O2 -","- C31 H51 Al Cl Fe N3 O2 -","- C62 H102 Al2 Cl2 Fe2 N6 O4 -","2","1","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","0.71073","MoKα","","0.0621","0.0459","","0.1243","0.1083","0.1242","","","","","","0.9257","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022192","18.7565","0.0001","19.8266","0.0001","20.3582","0.0001","90","","90","","90","","7570.76","0.07","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H53 Al Fe I N3 O2 -","- C38 H53 Al Fe I N3 O2 -","- C304 H424 Al8 Fe8 I8 N24 O16 -","8","1","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","0.71073","MoKα","","0.0596","0.0325","","0.0903","0.0693","0.0902","","","","","","0.9418","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022193","11.2413","0.0001","20.2466","0.0002","17.0845","0.0001","90","","90.4148","0.0004","90","","3888.3","0.06","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C41 H56 Al Cl Fe N2 O2 -","- C41 H56 Al Cl Fe N2 O2 -","- C164 H224 Al4 Cl4 Fe4 N8 O8 -","4","1","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","0.71073","MoKα","","0.0615","0.0449","","0.1397","0.1276","0.1397","","","","","","1.0072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022194","9.9141","0.0001","11.3263","0.0002","12.855","0.0002","81.6863","0.0007","83.7688","0.0007","82.6593","0.0007","1410.63","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H44 Al Fe N3 O2 -","- C27 H44 Al Fe N3 O2 -","- C54 H88 Al2 Fe2 N6 O4 -","2","1","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","0.71073","MoKα","","0.0959","0.048","","0.1478","0.0937","0.1478","","","","","","0.9102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022195","10.4973","0.0002","11.4644","0.0002","14.7576","0.0003","86.8923","0.0017","70.6133","0.0019","79.5184","0.0017","1647.32","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H54 Al Fe N3 O2 -","- C32 H54 Al Fe N3 O2 -","- C64 H108 Al2 Fe2 N6 O4 -","2","1","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","1.5418","CuKα","","0.0319","0.0311","","0.08","0.0794","0.08","","","","","","0.9122","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022196","9.9585","0.0001","9.2769","0.0001","22.8556","0.0001","90","","101.6","0.0007","90","","2068.37","0.03","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 Al Cl2 N2 -","- C19 H27 Al Cl2 N2 -","- C76 H108 Al4 Cl8 N8 -","4","1","","Riddlestone, Ian M.; Urbano, Juan; Phillips, Nicholas; Kelly, Michael J.; Vidovic, Dragoslav; Bates, Joshua I.; Taylor, Russell; Aldridge, Simon","Salt metathesis for the synthesis of M-Al and M-H-Al bonds.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","249","258","10.1039/c2dt31974h","","","1.5418","CuKα","","0.0339","0.0334","","0.0755","0.0754","0.0755","","","","","","0.8982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022197","9.222","0.001","11.411","0.0013","13.848","0.0015","69.674","0.008","85.1","0.01","77.068","0.009","1331.8","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Fe2 O5 P Te2 -","- C26 H21 Fe2 O5 P Te2 -","- C52 H42 Fe4 O10 P2 Te4 -","2","1","","Song, Li-Cheng; Li, Qian-Li; Feng, Zhan-Heng; Sun, Xiao-Jing; Xie, Zhao-Jun; Song, Hai-Bin","Synthesis, characterization, and electrochemical properties of diiron propaneditellurolate (PDTe) complexes as active site models of [FeFe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1612","1626","10.1039/c2dt31976d","","","0.71075","MoKα","","0.0467","0.036","","","0.0569","0.0607","","","","","","1.037","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022198","11.917","0.0013","17.01","0.002","12.633","0.0015","90","","116.155","0.003","90","","2298.6","0.5","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Fe2 O5 P Te2 -","- C20 H17 Fe2 O5 P Te2 -","- C80 H68 Fe8 O20 P4 Te8 -","4","1","","Song, Li-Cheng; Li, Qian-Li; Feng, Zhan-Heng; Sun, Xiao-Jing; Xie, Zhao-Jun; Song, Hai-Bin","Synthesis, characterization, and electrochemical properties of diiron propaneditellurolate (PDTe) complexes as active site models of [FeFe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1612","1626","10.1039/c2dt31976d","","","0.71075","MoKα","","0.0325","0.0294","","","0.0648","0.0664","","","","","","1.03","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022199","10.991","0.0014","30.08","0.003","18.574","0.002","90","","95.102","0.004","90","","6116.4","1.2","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 Fe2 N2 O5 Te2 -","- C29 H30 Fe2 N2 O5 Te2 -","- C232 H240 Fe16 N16 O40 Te16 -","8","1","","Song, Li-Cheng; Li, Qian-Li; Feng, Zhan-Heng; Sun, Xiao-Jing; Xie, Zhao-Jun; Song, Hai-Bin","Synthesis, characterization, and electrochemical properties of diiron propaneditellurolate (PDTe) complexes as active site models of [FeFe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1612","1626","10.1039/c2dt31976d","","","0.71075","MoKα","","0.0689","0.0471","","","0.0889","0.0929","","","","","","0.923","","","","has coordinates","179926","2020-10-21","18:00:00",""
"7022200","9.215","0.001","10.556","0.0012","19.532","0.002","102.47","0.006","91.823","0.002","109.663","0.007","1735.6","0.3","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H33 Fe2 N O4 P2 Te2 -","- C34 H33 Fe2 N O4 P2 Te2 -","- C68 H66 Fe4 N2 O8 P4 Te4 -","2","1","","Song, Li-Cheng; Li, Qian-Li; Feng, Zhan-Heng; Sun, Xiao-Jing; Xie, Zhao-Jun; Song, Hai-Bin","Synthesis, characterization, and electrochemical properties of diiron propaneditellurolate (PDTe) complexes as active site models of [FeFe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1612","1626","10.1039/c2dt31976d","","","0.71075","MoKα","","0.0277","0.0244","","","0.0552","0.0559","","","","","","0.942","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022201","16.958","0.003","16.13","0.002","17.901","0.003","90","","94.392","0.003","90","","4882.1","1.3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 Fe4 O10 P2 Te4 -","- C43 H38 Fe4 O10 P2 Te4 -","- C172 H152 Fe16 O40 P8 Te16 -","4","1","","Song, Li-Cheng; Li, Qian-Li; Feng, Zhan-Heng; Sun, Xiao-Jing; Xie, Zhao-Jun; Song, Hai-Bin","Synthesis, characterization, and electrochemical properties of diiron propaneditellurolate (PDTe) complexes as active site models of [FeFe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1612","1626","10.1039/c2dt31976d","","","0.71073","MoKα","","0.0502","0.0431","","","0.1077","0.1119","","","","","","1.079","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022202","10.4968","0.0019","13.383","0.002","17.604","0.003","90","","92.815","0.003","90","","2470","0.7","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 Fe4 O10 P2 Te4 -","- C44 H40 Fe4 O10 P2 Te4 -","- C88 H80 Fe8 O20 P4 Te8 -","2","0.5","","Song, Li-Cheng; Li, Qian-Li; Feng, Zhan-Heng; Sun, Xiao-Jing; Xie, Zhao-Jun; Song, Hai-Bin","Synthesis, characterization, and electrochemical properties of diiron propaneditellurolate (PDTe) complexes as active site models of [FeFe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1612","1626","10.1039/c2dt31976d","","","0.71073","MoKα","","0.0279","0.0225","","","0.0509","0.0524","","","","","","1.028","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022203","12.113","0.0013","14.051","0.0014","16.731","0.0016","102.633","0.002","90.525","0.003","107.902","0.003","2635.2","0.5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H40 Fe5 O10 P2 Te4 -","- C50 H40 Fe5 O10 P2 Te4 -","- C100 H80 Fe10 O20 P4 Te8 -","2","1","","Song, Li-Cheng; Li, Qian-Li; Feng, Zhan-Heng; Sun, Xiao-Jing; Xie, Zhao-Jun; Song, Hai-Bin","Synthesis, characterization, and electrochemical properties of diiron propaneditellurolate (PDTe) complexes as active site models of [FeFe]-hydrogenases.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1612","1626","10.1039/c2dt31976d","","","0.71075","MoKα","","0.044","0.0341","","","0.0987","0.1022","","","","","","1.057","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022204","9.493","0.0002","20.504","0.0005","14.201","0.0004","90","","104.98","0.0011","90","","2670.21","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 N8 -","- C34 H22 N8 -","- C136 H88 N32 -","4","1","","Stefankiewicz, Artur R.; Wałęsa-Chorab, Monika; Harrowfield, Jack; Kubicki, Maciej; Hnatejko, Zbigniew; Korabik, Maria; Patroniak, Violetta","Self-assembly of transition metal ion complexes of a hybrid pyrazine-terpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1743","1751","10.1039/c2dt31982a","","","0.7107","MoKα","","0.1311","0.0627","","","0.1203","0.1412","","","","","","1.011","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022205","27.264","0.004","24.8297","0.0019","21.8128","0.0016","90","","112.636","0.012","90","","13629","3","295","2","295","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H44 B2 F10 Fe2 N16 O2.5 -","- C68 H44 B2 F10 Fe2 N16 O2.5 -","- C544 H352 B16 F80 Fe16 N128 O20 -","8","1","","Stefankiewicz, Artur R.; Wałęsa-Chorab, Monika; Harrowfield, Jack; Kubicki, Maciej; Hnatejko, Zbigniew; Korabik, Maria; Patroniak, Violetta","Self-assembly of transition metal ion complexes of a hybrid pyrazine-terpyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1743","1751","10.1039/c2dt31982a","","","1.5418","CuKα","","0.2218","0.0936","","","0.2185","0.2651","","","","","","0.996","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7022206","10.686","0.002","12.392","0.003","17.36","0.004","97.99","0.03","100.99","0.03","101.1","0.03","2177.3","0.9","149.9","","149.9","","","","","","","","","7","P -1","-P 1","2","(CuMn(L)2(py)4)(ClO4).EtOH","","","- C46 H42 Cl Cu Mn N4 O9 -","- C46 H42 Cl Cu Mn N4 O9 -","- C92 H84 Cl2 Cu2 Mn2 N8 O18 -","2","1","","Berg, Nelly; Hooper, Thomas N.; Liu, Junjie; Beedle, Christopher C.; Singh, Saurabh Kumar; Rajaraman, Gopalan; Piligkos, Stergios; Hill, Stephen; Brechin, Euan K.; Jones, Leigh F.","Synthetic, structural, spectroscopic and theoretical study of a Mn(III)-Cu(II) dimer containing a Jahn-Teller compressed Mn ion.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","207","216","10.1039/c2dt31995k","","","0.7107","MoKα","","0.1243","0.0679","","","0.1416","0.1653","","","","","","1.027","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022207","11.997","0.014","15.364","0.017","16","0.018","90","","90","","90","","2949","6","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C50 H56 I2 K2 N20 O17 -","- C50 H46 I2 K2 N20 O17 -","- C100 H92 I4 K4 N40 O34 -","2","0.5","","Gao, Zhong-Wei; Feng, Xing; Mu, Lan; Ni, Xin-Long; Liang, Li-Li; Xue, Sai-Feng; Tao, Zhu; Zeng, Xi; Chapman, Bodgan E.; Kuchel, Philip W.; Lindoy, Leonard F.; Wei, Gang","Cucurbit[5]uril-metal complex-induced room-temperature phosphorescence of α-naphthol and β-naphthol.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2608","2615","10.1039/c2dt32002a","","","0.71073","MoKα","","0.1331","0.058","","","0.1325","0.155","","","","","","0.932","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022208","15.839","0.007","12.035","0.005","15.133","0.007","90","","90","","90","","2885","2","223","2","223","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C50 H56 N22 O23 Tl2 -","- C50 H54 N22 O23 Tl2 -","- C100 H108 N44 O46 Tl4 -","2","0.5","","Gao, Zhong-Wei; Feng, Xing; Mu, Lan; Ni, Xin-Long; Liang, Li-Li; Xue, Sai-Feng; Tao, Zhu; Zeng, Xi; Chapman, Bodgan E.; Kuchel, Philip W.; Lindoy, Leonard F.; Wei, Gang","Cucurbit[5]uril-metal complex-induced room-temperature phosphorescence of α-naphthol and β-naphthol.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2608","2615","10.1039/c2dt32002a","","","0.71073","MoKα","","0.0437","0.0366","","","0.0882","0.091","","","","","","1.04","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022209","11.943","0.0006","15.8512","0.0008","30.5821","0.0015","90","","90","","90","","5789.5","0.5","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H64 I2 K2 N20 O24 -","- C40 H38 I2 K2 N20 O24 -","- C160 H152 I8 K8 N80 O96 -","4","1","","Gao, Zhong-Wei; Feng, Xing; Mu, Lan; Ni, Xin-Long; Liang, Li-Li; Xue, Sai-Feng; Tao, Zhu; Zeng, Xi; Chapman, Bodgan E.; Kuchel, Philip W.; Lindoy, Leonard F.; Wei, Gang","Cucurbit[5]uril-metal complex-induced room-temperature phosphorescence of α-naphthol and β-naphthol.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2608","2615","10.1039/c2dt32002a","","","0.71073","MoKα","","0.0522","0.041","","","0.1035","0.1088","","","","","","1.073","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022210","12.059","0.002","16.142","0.003","29.452","0.005","90","","90","","90","","5733","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H52 N22 O24 Tl2 -","- C40 H38 N22 O24 Tl2 -","- C160 H152 N88 O96 Tl8 -","4","1","","Gao, Zhong-Wei; Feng, Xing; Mu, Lan; Ni, Xin-Long; Liang, Li-Li; Xue, Sai-Feng; Tao, Zhu; Zeng, Xi; Chapman, Bodgan E.; Kuchel, Philip W.; Lindoy, Leonard F.; Wei, Gang","Cucurbit[5]uril-metal complex-induced room-temperature phosphorescence of α-naphthol and β-naphthol.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2608","2615","10.1039/c2dt32002a","","","0.71073","MoKα","","0.0861","0.0587","","","0.1685","0.1806","","","","","","1.07","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022211","9.0724","0.0012","9.1553","0.0012","27.683","0.004","90","","98.481","0.002","90","","2274.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 Cu4 N4 O23 -","- C42 H46 Cu4 N4 O23 -","- C84 H92 Cu8 N8 O46 -","2","0.5","","Cui, Lin; Luan, Xin-Jun; Zhang, Cui-Ping; Kang, Yi-Fan; Zhang, Wen-Tao; Wang, Yao-Yu; Shi, Qi-Zhen","Four 3D ""brick-wall""-like metal-organic frameworks with a flexible ligand of (S,S,R,R)-1,2,3,4-cyclopentanetetracarboxylic acid: crystal structures, luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1637","1644","10.1039/c2dt32022c","","","0.71073","MoKα","","0.072","0.0448","","","0.115","0.1397","","","","","","1.002","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022212","9.1238","0.0012","9.6201","0.0013","12.6475","0.0017","94.475","0.002","104.722","0.002","114.437","0.002","956.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Co2 N O12 -","- C15 H15 Co2 N O12 -","- C30 H30 Co4 N2 O24 -","2","1","","Cui, Lin; Luan, Xin-Jun; Zhang, Cui-Ping; Kang, Yi-Fan; Zhang, Wen-Tao; Wang, Yao-Yu; Shi, Qi-Zhen","Four 3D ""brick-wall""-like metal-organic frameworks with a flexible ligand of (S,S,R,R)-1,2,3,4-cyclopentanetetracarboxylic acid: crystal structures, luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1637","1644","10.1039/c2dt32022c","","","0.71073","MoKα","","0.0551","0.0464","","","0.1468","0.1627","","","","","","1.026","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022213","30.306","0.003","14.6161","0.0014","12.0026","0.0011","90","","107.468","0.002","90","","5071.4","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cd4 N4 O23 -","- C42 H36 Cd4 N4 O23 -","- C168 H144 Cd16 N16 O92 -","4","0.5","","Cui, Lin; Luan, Xin-Jun; Zhang, Cui-Ping; Kang, Yi-Fan; Zhang, Wen-Tao; Wang, Yao-Yu; Shi, Qi-Zhen","Four 3D ""brick-wall""-like metal-organic frameworks with a flexible ligand of (S,S,R,R)-1,2,3,4-cyclopentanetetracarboxylic acid: crystal structures, luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1637","1644","10.1039/c2dt32022c","","","0.71073","MoK\α","","0.06","0.0411","","","0.0769","0.0847","","","","","","1.051","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022214","9.0377","0.0014","9.7838","0.0015","11.3709","0.0018","88.129","0.003","78.639","0.002","65.906","0.002","898.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Co2 N O12 -","- C14 H18 Co2 N O12 -","- C28 H36 Co4 N2 O24 -","2","1","","Cui, Lin; Luan, Xin-Jun; Zhang, Cui-Ping; Kang, Yi-Fan; Zhang, Wen-Tao; Wang, Yao-Yu; Shi, Qi-Zhen","Four 3D ""brick-wall""-like metal-organic frameworks with a flexible ligand of (S,S,R,R)-1,2,3,4-cyclopentanetetracarboxylic acid: crystal structures, luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1637","1644","10.1039/c2dt32022c","","","0.71073","MoK\α","","0.0449","0.0374","","","0.1024","0.1079","","","","","","1.066","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022215","12.0085","0.0015","15.0727","0.0019","12.1","0.002","90","","111.686","0.002","90","","2035.1","0.5","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H3 Ag3 N2 O5 -","- C8 H3 Ag3 N2 O5 -","- C64 H24 Ag24 N16 O40 -","8","1","","Zhang, Zifei; Li, Bao; Meng, Xianggao; Yin, Xiangbing; Zhang, Tianle","Assembly of three-dimensional networks based upon silver-ethynide complexes bearing pyridyl and carboxylate groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4306","4312","10.1039/c2dt32030d","","","0.71073","MoKα","","0.0397","0.0315","","","0.0888","0.0987","","","","","","1.036","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022216","13.099","0.003","16.177","0.003","38.977","0.008","90","","90.04","0.03","90","","8259","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Ag24 N18 O53 -","- C48 H18 Ag24 N18 O53 -","- C192 H72 Ag96 N72 O212 -","4","1","","Zhang, Zifei; Li, Bao; Meng, Xianggao; Yin, Xiangbing; Zhang, Tianle","Assembly of three-dimensional networks based upon silver-ethynide complexes bearing pyridyl and carboxylate groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4306","4312","10.1039/c2dt32030d","","","0.71073","MoKα","","0.1328","0.0903","","","0.1964","0.2223","","","","","","1.025","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022217","13.461","0.001","20.198","0.001","18.078","0.001","90","","90.426","0.001","90","","4915","0.5","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C2 H21.5 Cs5 Ge O47.75 Ru S W11 -","- C2 H6 Cs5.004 Ge O47.792 Ru S W11 -","- C8 H24 Cs20.016 Ge4 O191.168 Ru4 S4 W44 -","4","1","","Ogo, Shuhei; Shimizu, Noriko; Ozeki, Tomoji; Kobayashi, Yusuke; Ide, Yusuke; Sano, Tsuneji; Sadakane, Masahiro","Determination of α-Keggin structure of [GeW11O39Ru(III)(H2O)]5-. Reaction of [GeW11O39Ru(III)(H2O)]5- with dimethyl sulfoxide to form [GeW11O39Ru(III)(dmso)]5- and their structural characterization.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2540","2545","10.1039/c2dt32038j","","","0.71073","MoKα","","0.0457","0.0385","","","0.0999","0.1025","","","","","","1.119","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022218","7.8901","0.001","17.736","0.002","20.584","0.004","90","0.01","95.64","0.02","90","0.01","2866.6","0.7","77","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Ag2 N12 O12 -","- C22 H24 Ag2 N12 O12 -","- C88 H96 Ag8 N48 O48 -","4","1","","Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N","Heteropolyhedral silver compounds containing the polydentate ligand N,N,O-E-[6-(hydroxyimino)ethyl]-1,3,7-trimethyllumazine. Preparation, spectral and XRD structural study and AIM calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","530","541","10.1039/c2dt32044d","","x-ray","0.71073","MoKα","","0.0856","0.0454","","","0.096","0.1122","","","","","","1.061","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022219","13.2412","0.0013","14.5295","0.0015","16.661","0.003","90","","105.675","0.009","90","","3086.2","0.7","77","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Ag2 Cl2 N10 O14 -","- C22 H24 Ag2 Cl2 N10 O14 -","- C88 H96 Ag8 Cl8 N40 O56 -","4","1","","Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N","Heteropolyhedral silver compounds containing the polydentate ligand N,N,O-E-[6-(hydroxyimino)ethyl]-1,3,7-trimethyllumazine. Preparation, spectral and XRD structural study and AIM calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","530","541","10.1039/c2dt32044d","","x-ray","0.71073","MoKα","","0.2139","0.1069","","","0.2694","0.3489","","","","","","1.106","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022220","8.14","0.003","8.304","0.0015","9.365","0.005","94.1","0.02","106.43","0.03","110.59","0.02","558","0.4","293","2","77","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C11 H13 N5 O3 -","- C11 H13 N5 O3 -","- C22 H26 N10 O6 -","2","1","","Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N","Heteropolyhedral silver compounds containing the polydentate ligand N,N,O-E-[6-(hydroxyimino)ethyl]-1,3,7-trimethyllumazine. Preparation, spectral and XRD structural study and AIM calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","530","541","10.1039/c2dt32044d","","x-ray","0.71073","MoKα","","0.175","0.0766","","","0.183","0.2482","","","","","","1.001","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022221","14.6665","0.0019","15.0893","0.0009","19.703","0.003","90","","105.714","0.01","90","","4197.4","0.9","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 Ag2 F6 N10 O14 S2 -","- C28 H34 Ag2 F6 N10 O14 S2 -","- C112 H136 Ag8 F24 N40 O56 S8 -","4","1","","Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N","Heteropolyhedral silver compounds containing the polydentate ligand N,N,O-E-[6-(hydroxyimino)ethyl]-1,3,7-trimethyllumazine. Preparation, spectral and XRD structural study and AIM calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","530","541","10.1039/c2dt32044d","","x-ray","0.71073","MoKα","","0.0987","0.0536","","","0.131","0.1597","","","","","","1.065","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022222","16.493","0.003","9.5635","0.0006","17.306","0.003","90","","97.588","0.015","90","","2705.8","0.7","77","2","77","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Ag B F4 N10 O6 -","- C22 H24 Ag B F4 N10 O6 -","- C88 H96 Ag4 B4 F16 N40 O24 -","4","1","","Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Fernández-Liencres, M Paz; Fernández-Gómez, Manuel; Moreno-Carretero, Miguel N","Heteropolyhedral silver compounds containing the polydentate ligand N,N,O-E-[6-(hydroxyimino)ethyl]-1,3,7-trimethyllumazine. Preparation, spectral and XRD structural study and AIM calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","2","530","541","10.1039/c2dt32044d","","x-ray","0.71073","MoKα","","0.1642","0.0731","","","0.1816","0.2468","","","","","","1.026","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022223","9.8303","0.0007","21.6994","0.0015","11.6696","0.0008","90","","94.951","0.001","90","","2480","0.3","296","2","296","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H51 B Cu F4 N5 O2 P2 -","- C50 H51 B Cu F4 N5 O2 P2 -","- C100 H102 B2 Cu2 F8 N10 O4 P4 -","2","1","","Femoni, Cristina; Muzzioli, Sara; Palazzi, Antonio; Stagni, Stefano; Zacchini, Stefano; Monti, Filippo; Accorsi, Gianluca; Bolognesi, Margherita; Armaroli, Nicola; Massi, Massimiliano; Valenti, Giovanni; Marcaccio, Massimo","New tetrazole-based Cu(I) homo- and heteroleptic complexes with various P^P ligands: synthesis, characterization, redox and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","997","1010","10.1039/c2dt32056h","","","0.71073","MoKα","","0.1288","0.0646","","","0.1672","0.2087","","","","","","0.989","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022224","11.935","0.005","12.949","0.005","14.49","0.006","73.001","0.005","68.107","0.005","88.574","0.005","1978.1","1.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H84 B2 Cu2 F8 N10 O P4 -","- C76 H84 B2 Cu2 F8 N10 O P4 -","- C76 H84 B2 Cu2 F8 N10 O P4 -","1","0.5","","Femoni, Cristina; Muzzioli, Sara; Palazzi, Antonio; Stagni, Stefano; Zacchini, Stefano; Monti, Filippo; Accorsi, Gianluca; Bolognesi, Margherita; Armaroli, Nicola; Massi, Massimiliano; Valenti, Giovanni; Marcaccio, Massimo","New tetrazole-based Cu(I) homo- and heteroleptic complexes with various P^P ligands: synthesis, characterization, redox and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","997","1010","10.1039/c2dt32056h","","","0.71073","MoKα","","0.2808","0.0811","","","0.1413","0.2121","","","","","","0.917","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022225","42.896","0.003","13.8035","0.001","24.5456","0.0017","90","","99.216","0.001","90","","14346.2","1.8","292","2","292","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H70 B2 Cu2 F8 N10 P4 -","- C70 H70 B2 Cu2 F8 N10 P4 -","- C560 H560 B16 Cu16 F64 N80 P32 -","8","1","","Femoni, Cristina; Muzzioli, Sara; Palazzi, Antonio; Stagni, Stefano; Zacchini, Stefano; Monti, Filippo; Accorsi, Gianluca; Bolognesi, Margherita; Armaroli, Nicola; Massi, Massimiliano; Valenti, Giovanni; Marcaccio, Massimo","New tetrazole-based Cu(I) homo- and heteroleptic complexes with various P^P ligands: synthesis, characterization, redox and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","997","1010","10.1039/c2dt32056h","","","0.71073","MoKα","","0.1163","0.0593","","","0.1487","0.1943","","","","","","1.046","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022226","9.647","0.002","12.31","0.003","21.399","0.004","90","","90","","90","","2541.2","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 B Cu F4 N10 -","- C20 H26 B Cu F4 N10 -","- C80 H104 B4 Cu4 F16 N40 -","4","1","","Femoni, Cristina; Muzzioli, Sara; Palazzi, Antonio; Stagni, Stefano; Zacchini, Stefano; Monti, Filippo; Accorsi, Gianluca; Bolognesi, Margherita; Armaroli, Nicola; Massi, Massimiliano; Valenti, Giovanni; Marcaccio, Massimo","New tetrazole-based Cu(I) homo- and heteroleptic complexes with various P^P ligands: synthesis, characterization, redox and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","997","1010","10.1039/c2dt32056h","","","0.71073","MoKα","","0.0344","0.0313","","","0.0876","0.0896","","","","","","1.042","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022227","16.909","0.003","12.7","0.002","17.894","0.003","90","","95.892","0.005","90","","3822.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H50 La N3 Si4 -","- C29.5 H46 La N3 Si4 -","- C118 H184 La4 N12 Si16 -","4","1","","Wang, Yibin; Lei, Yinlin; Chi, Shuhui; Luo, Yunjie","Rare earth metal bis(silylamide) complexes bearing pyridyl-functionalized indenyl ligand: synthesis, structure and performance in the living polymerization of L-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1862","1871","10.1039/c2dt32083e","","","0.7107","MoKα","","0.0838","0.0675","","","0.1492","0.1596","","","","","","1.159","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022228","17.4325","0.0019","8.3392","0.0009","22.81","0.003","90","","92.839","0.003","90","","3311.9","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 N3 Si4 Sm -","- C26 H46 N3 Si4 Sm -","- C104 H184 N12 Si16 Sm4 -","4","1","","Wang, Yibin; Lei, Yinlin; Chi, Shuhui; Luo, Yunjie","Rare earth metal bis(silylamide) complexes bearing pyridyl-functionalized indenyl ligand: synthesis, structure and performance in the living polymerization of L-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1862","1871","10.1039/c2dt32083e","","","0.71075","MoKα","","0.0861","0.0646","","","0.1493","0.1706","","","","","","1.093","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022229","17.3771","0.0017","8.327","0.0007","22.582","0.003","90","","92.13","0.003","90","","3265.3","0.6","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 Er N3 Si4 -","- C26 H46 Er N3 Si4 -","- C104 H184 Er4 N12 Si16 -","4","1","","Wang, Yibin; Lei, Yinlin; Chi, Shuhui; Luo, Yunjie","Rare earth metal bis(silylamide) complexes bearing pyridyl-functionalized indenyl ligand: synthesis, structure and performance in the living polymerization of L-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1862","1871","10.1039/c2dt32083e","","","0.71075","MoKα","","0.0619","0.052","","","0.1049","0.1098","","","","","","1.12","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022230","16.314","0.005","10.921","0.004","18.668","0.006","90","","90","","90","","3326","1.9","223","2","223","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H46 Lu N3 Si4 -","- C26 H46 Lu N3 Si4 -","- C104 H184 Lu4 N12 Si16 -","4","1","","Wang, Yibin; Lei, Yinlin; Chi, Shuhui; Luo, Yunjie","Rare earth metal bis(silylamide) complexes bearing pyridyl-functionalized indenyl ligand: synthesis, structure and performance in the living polymerization of L-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1862","1871","10.1039/c2dt32083e","","","0.71075","MoKα","","0.0596","0.0479","","","0.1036","0.1111","","","","","","1.05","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022231","12.005","0.002","15.948","0.003","13.217","0.003","90","","114.872","0.004","90","","2295.8","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H64 La N3 Si2 -","- C46 H64 La N3 Si2 -","- C92 H128 La2 N6 Si4 -","2","1","","Wang, Yibin; Lei, Yinlin; Chi, Shuhui; Luo, Yunjie","Rare earth metal bis(silylamide) complexes bearing pyridyl-functionalized indenyl ligand: synthesis, structure and performance in the living polymerization of L-lactide and rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1862","1871","10.1039/c2dt32083e","","","0.7107","MoKα","","0.0372","0.0332","","","0.0782","0.081","","","","","","1.125","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022232","14.8501","0.001","28.3308","0.0019","47.428","0.003","90","","90","","90","","19954","2","120","2","120","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C116 H238 Al2 N6 O80 P2 W22 Zr2 -","- C116 H236 Al2 N6 O80 P2 W22 Zr2 -","- C464 H944 Al8 N24 O320 P8 W88 Zr8 -","4","1","","Kato, Chika Nozaki; Makino, Yuki; Unno, Wataru; Uno, Hidemitsu","Synthesis, molecular structure, and stability of a zirconocene derivative with α-Keggin mono-aluminum-substituted polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1129","1135","10.1039/c2dt32107f","","","0.71075","MoKα","","0.0985","0.0835","","","0.1542","0.1613","","","","","","1.143","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022233","16.78","0.003","13.895","0.003","13.596","0.003","90","","107.59","0.03","90","","3021.8","1.2","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 N2 O6 Pd -","- C12 H12 Cl2 N2 O6 Pd -","- C96 H96 Cl16 N16 O48 Pd8 -","8","2","","Sun, Ya-guang; Sun, Di; Yu, Wan; Zhu, Ming-chang; Ding, Fu; Liu, Yi-nan; Gao, En-jun; Wang, Shu-ju; Xiong, Gang; Dragutan, Ileana; Dragutan, Valerian","Synthesis, characterization, interaction with DNA and cytotoxicity of Pd(II) and Pt(II) complexes containing pyridine carboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3957","3967","10.1039/c2dt32114a","","","0.71073","MoKα","","0.0581","0.0406","","","0.0817","0.0893","","","","","","1.051","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022234","16.64","0.002","13.7906","0.0018","13.6697","0.0019","90","","106.052","0.003","90","","3014.6","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl2 N2 O6 Pt -","- C12 H12 Cl2 N2 O6 Pt -","- C96 H96 Cl16 N16 O48 Pt8 -","8","2","","Sun, Ya-guang; Sun, Di; Yu, Wan; Zhu, Ming-chang; Ding, Fu; Liu, Yi-nan; Gao, En-jun; Wang, Shu-ju; Xiong, Gang; Dragutan, Ileana; Dragutan, Valerian","Synthesis, characterization, interaction with DNA and cytotoxicity of Pd(II) and Pt(II) complexes containing pyridine carboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3957","3967","10.1039/c2dt32114a","","","0.71075","MoKα","","0.0768","0.0524","","","0.0874","0.0936","","","","","","1.112","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022235","7.2791","0.0015","8.0941","0.0016","12.513","0.003","103.02","0.03","102.91","0.03","90.52","0.03","698.8","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl2 N2 O5 Pd -","- C12 H10 Cl2 N2 O5 Pd -","- C24 H20 Cl4 N4 O10 Pd2 -","2","1","","Sun, Ya-guang; Sun, Di; Yu, Wan; Zhu, Ming-chang; Ding, Fu; Liu, Yi-nan; Gao, En-jun; Wang, Shu-ju; Xiong, Gang; Dragutan, Ileana; Dragutan, Valerian","Synthesis, characterization, interaction with DNA and cytotoxicity of Pd(II) and Pt(II) complexes containing pyridine carboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3957","3967","10.1039/c2dt32114a","","","0.71073","MoKα","","0.0255","0.0224","","","0.0625","0.0637","","","","","","1.136","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022236","7.3879","0.0015","7.9746","0.0016","12.542","0.003","102.29","0.03","103.83","0.03","92.87","0.03","697.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl2 N2 O5 Pt -","- C12 H10 Cl2 N2 O5 Pt -","- C24 H20 Cl4 N4 O10 Pt2 -","2","1","","Sun, Ya-guang; Sun, Di; Yu, Wan; Zhu, Ming-chang; Ding, Fu; Liu, Yi-nan; Gao, En-jun; Wang, Shu-ju; Xiong, Gang; Dragutan, Ileana; Dragutan, Valerian","Synthesis, characterization, interaction with DNA and cytotoxicity of Pd(II) and Pt(II) complexes containing pyridine carboxylic acid ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3957","3967","10.1039/c2dt32114a","","","0.71073","MoKα","","0.0394","0.0355","","","0.0771","0.0788","","","","","","1.021","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022237","15.134","0.007","13.205","0.006","32.722","0.014","90","","103.845","0.018","90","","6349","5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H70 N5 O7 S4 -","- C56 H70 N5 O7 S4 -","- C224 H280 N20 O28 S16 -","4","1","","Fu, Yu; Mu, Lan; Zeng, Xi; Zhao, Jiang-Lin; Redshaw, Carl; Ni, Xin-Long; Yamato, Takehiko","An NBD-armed thiacalix[4]arene-derived colorimetric and fluorometric chemosensor for Ag+: a metal-ligand receptor of anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3552","3560","10.1039/c2dt32115g","","","0.71073","MoKα","","0.186","0.0921","","","0.2395","0.2748","","","","","","0.916","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022238","11.6872","0.0008","23.8106","0.0016","14.0462","0.001","90","","112.988","0.002","90","","3598.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 F3 N Si5 -","- C30 H50 F3 N Si5 -","- C120 H200 F12 N4 Si20 -","4","1","","Chen, Weifeng; Wang, Liliang; Li, Zhifang; Lin, Aiqin; Lai, Guoqiao; Xiao, Xuqiong; Deng, Yuan; Kira, Mitsuo","Diverse reactivity of an isolable dialkylsilylene toward imines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1872","1878","10.1039/c2dt32126b","","","0.71073","MoKα","","0.0519","0.0391","","","0.1263","0.1456","","","","","","1.031","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022239","11.4647","0.0008","11.7712","0.0009","14.2938","0.0011","74.147","0.001","82.135","0.001","69.523","0.001","1736.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H55 N Si5 -","- C30 H55 N Si5 -","- C60 H110 N2 Si10 -","2","1","","Chen, Weifeng; Wang, Liliang; Li, Zhifang; Lin, Aiqin; Lai, Guoqiao; Xiao, Xuqiong; Deng, Yuan; Kira, Mitsuo","Diverse reactivity of an isolable dialkylsilylene toward imines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1872","1878","10.1039/c2dt32126b","","","0.71073","MoKα","","0.0393","0.034","","","0.1105","0.1298","","","","","","1.096","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022240","10.1986","0.0008","11.4219","0.0009","16.3207","0.0012","77.576","0.001","78.196","0.001","71.588","0.001","1742.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H53 N O Si5 -","- C30 H53 N O Si5 -","- C60 H106 N2 O2 Si10 -","2","1","","Chen, Weifeng; Wang, Liliang; Li, Zhifang; Lin, Aiqin; Lai, Guoqiao; Xiao, Xuqiong; Deng, Yuan; Kira, Mitsuo","Diverse reactivity of an isolable dialkylsilylene toward imines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1872","1878","10.1039/c2dt32126b","","","0.71073","MoKα","","0.0501","0.0399","","","0.1241","0.1563","","","","","","1.103","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022241","9.9889","0.0008","10.8412","0.0008","16.406","0.0013","81.745","0.001","78.795","0.001","78.692","0.001","1698.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H51 N Si5 -","- C29 H51 N Si5 -","- C58 H102 N2 Si10 -","2","1","","Chen, Weifeng; Wang, Liliang; Li, Zhifang; Lin, Aiqin; Lai, Guoqiao; Xiao, Xuqiong; Deng, Yuan; Kira, Mitsuo","Diverse reactivity of an isolable dialkylsilylene toward imines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1872","1878","10.1039/c2dt32126b","","","0.71073","MoKα","","0.0478","0.0411","","","0.1281","0.1554","","","","","","0.854","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022242","22.667","0.004","14.11","0.002","23.682","0.004","90","","90","","90","","7574","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C31 H49 F6 N Si5 -","- C31 H49 F6 N Si5 -","- C248 H392 F48 N8 Si40 -","8","1","","Chen, Weifeng; Wang, Liliang; Li, Zhifang; Lin, Aiqin; Lai, Guoqiao; Xiao, Xuqiong; Deng, Yuan; Kira, Mitsuo","Diverse reactivity of an isolable dialkylsilylene toward imines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1872","1878","10.1039/c2dt32126b","","","0.71073","MoKα","","0.1012","0.0527","","","0.1202","0.1509","","","","","","0.969","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022243","13.1571","0.0011","15.9991","0.0013","17.0546","0.0014","72.259","0.002","84.025","0.002","89.806","0.002","3399.2","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H50 Cl N Si5 -","- C29 H50 Cl N Si5 -","- C116 H200 Cl4 N4 Si20 -","4","2","","Chen, Weifeng; Wang, Liliang; Li, Zhifang; Lin, Aiqin; Lai, Guoqiao; Xiao, Xuqiong; Deng, Yuan; Kira, Mitsuo","Diverse reactivity of an isolable dialkylsilylene toward imines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1872","1878","10.1039/c2dt32126b","","","0.71073","MoKα","","0.0809","0.0445","","","0.1234","0.1545","","","","","","0.916","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022244","11.2605","0.0011","17.1278","0.0016","13.6829","0.001","90","","117.255","0.006","90","","2346","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H24 In2 N6 Ni S7 Sb2 -","- C6 H24 In2 N6 Ni S7 Sb2 -","- C24 H96 In8 N24 Ni4 S28 Sb8 -","4","1","","Zhou, Jian; Liu, Xing; An, Litao; Hu, Feilong; Kan, Yuhe; Li, Rong; Shen, Zhenming","Solvothermal synthesis and characterization of thioindate-thioantimonates with transition-metal complexes: the first examples of the incorporation of transition metal ions into In-S-Sb frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1735","1742","10.1039/c2dt32132g","","","0.71073","MoKα","","0.0955","0.0855","","","0.1924","0.1979","","","","","","1.089","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022245","25.819","0.005","11.161","0.002","30.147","0.006","90","","110.42","0.03","90","","8141","3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H80 In6 N20 Ni3 S21 Sb6 -","- C20 H80 In6 N20 Ni3 S21 Sb6 -","- C80 H320 In24 N80 Ni12 S84 Sb24 -","4","0.5","","Zhou, Jian; Liu, Xing; An, Litao; Hu, Feilong; Kan, Yuhe; Li, Rong; Shen, Zhenming","Solvothermal synthesis and characterization of thioindate-thioantimonates with transition-metal complexes: the first examples of the incorporation of transition metal ions into In-S-Sb frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1735","1742","10.1039/c2dt32132g","","","0.71073","MoKα","","0.048","0.0387","","","0.0924","0.0965","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7022246","11.788","0.002","13.689","0.003","11.116","0.002","90","","117.49","0.03","90","","1591.2","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Co In N4 S4 Sb -","- C6 H18 Co In N4 S4 Sb -","- C24 H72 Co4 In4 N16 S16 Sb4 -","4","1","","Zhou, Jian; Liu, Xing; An, Litao; Hu, Feilong; Kan, Yuhe; Li, Rong; Shen, Zhenming","Solvothermal synthesis and characterization of thioindate-thioantimonates with transition-metal complexes: the first examples of the incorporation of transition metal ions into In-S-Sb frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1735","1742","10.1039/c2dt32132g","","","0.71073","MoKα","","0.1128","0.0875","","","0.1907","0.1999","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022247","12.0308","0.0006","12.3827","0.0006","15.9563","0.0007","94.232","0.0013","91.867","0.0013","93.817","0.0015","2363.65","0.19","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H52.5 N3 O14 Pt4 -","- C36.5 H52.5 N3 O14 Pt4 -","- C73 H105 N6 O28 Pt8 -","2","1","","Tanaka, Shinji; Mashima, Kazushi","Unique stepwise substitution reaction of a mono(guanidinate)tetraplatinum complex with amidines, giving mono(amidinate)tetraplatinum complexes through mixed-ligand intermediate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2831","2840","10.1039/c2dt32136j","","","0.71075","MoKα","","","0.0428","","","","0.0944","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022248","12.3807","0.0007","15.6662","0.0009","18.7973","0.0011","64.852","0.002","80.337","0.002","82.213","0.002","3245.1","0.3","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C87.64 H111.6 Cl9 N4 O28.66 Pt8 -","- C87.64 H111.6 Cl9 N4 O28.66 Pt8 -","- C87.64 H111.6 Cl9 N4 O28.66 Pt8 -","1","0.5","","Tanaka, Shinji; Mashima, Kazushi","Unique stepwise substitution reaction of a mono(guanidinate)tetraplatinum complex with amidines, giving mono(amidinate)tetraplatinum complexes through mixed-ligand intermediate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2831","2840","10.1039/c2dt32136j","","","0.71075","MoKα","","","0.0863","","","","0.2435","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022249","8.8426","0.0017","8.9066","0.0017","20.634","0.004","90.296","0.004","91.322","0.003","92.285","0.004","1623.3","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 O3 Zn -","- C19 H20 O3 Zn -","- C76 H80 O12 Zn4 -","4","2","","Sen, Tamal K.; Mukherjee, Arup; Modak, Arghya; Mandal, Swadhin K.; Koley, Debasis","Substitution effect on phenalenyl backbone in the rate of organozinc catalyzed ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1893","1904","10.1039/c2dt32152a","","","0.71073","MoKα","","0.0394","0.0321","","","0.0812","0.0859","","","","","","1.032","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022250","15.731","0.002","8.6745","0.0012","11.5672","0.0016","90","","106.024","0.003","90","","1517.1","0.4","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H36 N2 O3 Zn -","- C36 H36 N2 O3 Zn -","- C72 H72 N4 O6 Zn2 -","2","0.5","","Sen, Tamal K.; Mukherjee, Arup; Modak, Arghya; Mandal, Swadhin K.; Koley, Debasis","Substitution effect on phenalenyl backbone in the rate of organozinc catalyzed ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1893","1904","10.1039/c2dt32152a","","","0.71073","MoKα","","0.0265","0.0253","","","0.0575","0.0581","","","","","","1.042","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022251","9.0529","0.0016","9.7356","0.0017","10.593","0.0018","108.236","0.003","102.958","0.003","95.965","0.003","848.7","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H46 N2 O2 Zn2 -","- C42 H46 N2 O2 Zn2 -","- C42 H46 N2 O2 Zn2 -","1","0.5","","Sen, Tamal K.; Mukherjee, Arup; Modak, Arghya; Mandal, Swadhin K.; Koley, Debasis","Substitution effect on phenalenyl backbone in the rate of organozinc catalyzed ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1893","1904","10.1039/c2dt32152a","","","0.71073","MoKα","","0.0485","0.0456","","","0.1246","0.1275","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022252","11.6112","0.0005","10.9964","0.0005","11.2447","0.0005","90","","99.318","0.003","90","","1416.79","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 Zn -","- C17 H18 N2 Zn -","- C68 H72 N8 Zn4 -","4","1","","Sen, Tamal K.; Mukherjee, Arup; Modak, Arghya; Mandal, Swadhin K.; Koley, Debasis","Substitution effect on phenalenyl backbone in the rate of organozinc catalyzed ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1893","1904","10.1039/c2dt32152a","","","0.71073","MoKα","","0.0252","0.0227","","","0.0577","0.0603","","","","","","1.068","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022253","8.8105","0.0008","13.5563","0.0009","15.6938","0.0014","74.278","0.002","83.941","0.001","89.588","0.002","1793.8","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H26 N2 Zn -","- C21 H26 N2 Zn -","- C84 H104 N8 Zn4 -","4","2","","Sen, Tamal K.; Mukherjee, Arup; Modak, Arghya; Mandal, Swadhin K.; Koley, Debasis","Substitution effect on phenalenyl backbone in the rate of organozinc catalyzed ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1893","1904","10.1039/c2dt32152a","","","0.71073","MoKα","","0.0524","0.0362","","","0.0851","0.1012","","","","","","1.036","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022254","10.008","0.002","12.724","0.003","17.615","0.004","90","","105.05","0.004","90","","2166.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 N2 Zn -","- C27 H34 N2 Zn -","- C108 H136 N8 Zn4 -","4","1","","Sen, Tamal K.; Mukherjee, Arup; Modak, Arghya; Mandal, Swadhin K.; Koley, Debasis","Substitution effect on phenalenyl backbone in the rate of organozinc catalyzed ROP of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1893","1904","10.1039/c2dt32152a","","","0.71073","MoKα","","0.0313","0.0251","","","0.0651","0.0694","","","","","","1.026","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022255","16.662","0.005","10.561","0.003","19.725","0.006","90","","92","0.03","90","","3468.8","1.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C139 H94 Cl6 F40 Ir4 N24 P4 -","- C139 H94 Cl6 F40 Ir4 N24 P4 -","- C139 H94 Cl6 F40 Ir4 N24 P4 -","1","0.25","","Baranoff, Etienne; Bolink, Henk J.; Constable, Edwin C.; Delgado, Manuel; Häussinger, Daniel; Housecroft, Catherine E.; Nazeeruddin, Mohammad K.; Neuburger, Markus; Ortí, Enrique; Schneider, Gabriel E.; Tordera, Daniel; Walliser, Roché M; Zampese, Jennifer A.","Tuning the photophysical properties of cationic iridium(III) complexes containing cyclometallated 1-(2,4-difluorophenyl)-1H-pyrazole through functionalized 2,2'-bipyridine ligands: blue but not blue enough.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1073","1087","10.1039/c2dt32160b","","","0.71073","MoKα","","0.0668","0.0581","","","0.1481","0.1545","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022256","10.753","0.003","12.323","0.004","16.058","0.004","80.37","0.02","84.7","0.019","65.47","0.02","1907.9","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H22 Cl4 F8 Ir2 N8 -","- C37 H22 Cl4 F8 Ir2 N8 -","- C74 H44 Cl8 F16 Ir4 N16 -","2","1","","Baranoff, Etienne; Bolink, Henk J.; Constable, Edwin C.; Delgado, Manuel; Häussinger, Daniel; Housecroft, Catherine E.; Nazeeruddin, Mohammad K.; Neuburger, Markus; Ortí, Enrique; Schneider, Gabriel E.; Tordera, Daniel; Walliser, Roché M; Zampese, Jennifer A.","Tuning the photophysical properties of cationic iridium(III) complexes containing cyclometallated 1-(2,4-difluorophenyl)-1H-pyrazole through functionalized 2,2'-bipyridine ligands: blue but not blue enough.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1073","1087","10.1039/c2dt32160b","","","0.71073","MoKα","","0.0476","0.0399","","","0.098","0.1018","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022257","20.8613","0.0017","10.0629","0.0005","25.126","0.002","90","","114.381","0.006","90","","4804.2","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 Cl2 F10 Ir N6 P -","- C49 H44 Cl2 F10 Ir N6 P -","- C196 H176 Cl8 F40 Ir4 N24 P4 -","4","1","","Baranoff, Etienne; Bolink, Henk J.; Constable, Edwin C.; Delgado, Manuel; Häussinger, Daniel; Housecroft, Catherine E.; Nazeeruddin, Mohammad K.; Neuburger, Markus; Ortí, Enrique; Schneider, Gabriel E.; Tordera, Daniel; Walliser, Roché M; Zampese, Jennifer A.","Tuning the photophysical properties of cationic iridium(III) complexes containing cyclometallated 1-(2,4-difluorophenyl)-1H-pyrazole through functionalized 2,2'-bipyridine ligands: blue but not blue enough.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1073","1087","10.1039/c2dt32160b","","","0.71073","MoKα","","0.1085","0.0876","","","0.2121","0.2294","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022258","9.5146","0.0009","14.3727","0.0012","14.4945","0.0014","102.341","0.007","102.295","0.008","105.066","0.007","1792.4","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H30 Cl2 F10 Ir N8 P -","- C33 H30 Cl2 F10 Ir N8 P -","- C66 H60 Cl4 F20 Ir2 N16 P2 -","2","1","","Baranoff, Etienne; Bolink, Henk J.; Constable, Edwin C.; Delgado, Manuel; Häussinger, Daniel; Housecroft, Catherine E.; Nazeeruddin, Mohammad K.; Neuburger, Markus; Ortí, Enrique; Schneider, Gabriel E.; Tordera, Daniel; Walliser, Roché M; Zampese, Jennifer A.","Tuning the photophysical properties of cationic iridium(III) complexes containing cyclometallated 1-(2,4-difluorophenyl)-1H-pyrazole through functionalized 2,2'-bipyridine ligands: blue but not blue enough.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1073","1087","10.1039/c2dt32160b","","","0.71073","MoKα","","0.0438","0.0436","","","0.1171","0.1173","","","","","","1.181","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7022259","19.8624","0.0012","6.1354","0.0003","19.9421","0.0013","90","","106.045","0.005","90","","2335.6","0.2","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 N2 -","- C30 H32 N2 -","- C120 H128 N8 -","4","0.5","","Baranoff, Etienne; Bolink, Henk J.; Constable, Edwin C.; Delgado, Manuel; Häussinger, Daniel; Housecroft, Catherine E.; Nazeeruddin, Mohammad K.; Neuburger, Markus; Ortí, Enrique; Schneider, Gabriel E.; Tordera, Daniel; Walliser, Roché M; Zampese, Jennifer A.","Tuning the photophysical properties of cationic iridium(III) complexes containing cyclometallated 1-(2,4-difluorophenyl)-1H-pyrazole through functionalized 2,2'-bipyridine ligands: blue but not blue enough.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1073","1087","10.1039/c2dt32160b","","","0.71073","MoKα","","0.056","0.0517","","0.0703","0.0552","0.0537","","","","","","1.0471","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022260","6.9205","0.0007","15.7116","0.0016","13.5636","0.0014","90","","98.248","0.001","90","","1459.5","0.3","193","2","193","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26 H25 Br2 F Mn N2 O6 P -","- C26 H25 Br2 F Mn N2 O6 P -","- C52 H50 Br4 F2 Mn2 N4 O12 P2 -","2","1","","Wang, Ting-Ting; Bao, Song-Song; Huang, Jian; Li, Yi-Zhi; Zheng, Li-Min","Chiral one-dimensional O-P-O bridged Mn(III)-Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1842","1847","10.1039/c2dt32171h","","","0.71073","MoKα","","0.0693","0.0584","","","0.1149","0.1171","","","","","","1.142","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022261","6.9095","0.0017","15.6772","0.0013","13.5492","0.0015","90","","98.441","0.003","90","","1451.8","0.4","163","2","163","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26 H25 Br2 F Mn N2 O6 P -","- C26 H25 Br2 F Mn N2 O6 P -","- C52 H50 Br4 F2 Mn2 N4 O12 P2 -","2","1","","Wang, Ting-Ting; Bao, Song-Song; Huang, Jian; Li, Yi-Zhi; Zheng, Li-Min","Chiral one-dimensional O-P-O bridged Mn(III)-Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1842","1847","10.1039/c2dt32171h","","","0.71073","MoKα","","0.0667","0.0559","","","0.119","0.1216","","","","","","1.022","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022262","6.9258","0.0008","15.9043","0.0019","13.5363","0.0016","90","","98.125","0.002","90","","1476.1","0.3","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C28 H31 Br2 Mn N2 O7 P -","- C28 H32 Br2 Mn N2 O7 P -","- C56 H64 Br4 Mn2 N4 O14 P2 -","2","1","","Wang, Ting-Ting; Bao, Song-Song; Huang, Jian; Li, Yi-Zhi; Zheng, Li-Min","Chiral one-dimensional O-P-O bridged Mn(III)-Schiff base complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1842","1847","10.1039/c2dt32171h","","","0.71073","MoKα","","0.0671","0.0564","","","0.1174","0.1197","","","","","","1.098","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022263","13.873","0.005","17.818","0.01","18.828","0.006","90","","104.96","0.02","90","","4496","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H58 N4 Na2 O2 -","- C47 H58 N4 Na2 O2 -","- C188 H232 N16 Na8 O8 -","4","1","","Clegg, William; Fleming, Ben J.; García-Álvarez, Pablo; Hogg, Lorna M.; Kennedy, Alan R.; Klett, Jan; Martínez-Martínez, Antonio J; Mulvey, Robert E.; Russo, Luca; O'Hara, Charles T","Structural elucidation of homometallic anthracenolates synthesised via deprotonative metallation of anthrone.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2512","2519","10.1039/c2dt32176a","","","0.71073","MoKα","","0.1695","0.0755","","","0.1405","0.1843","","","","","","1.051","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022264","12.2149","0.001","12.9366","0.0012","15.05","0.0012","66.429","0.008","81.568","0.007","75.877","0.008","2110.7","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H58 Li2 N4 O2 -","- C47 H58 Li2 N4 O2 -","- C94 H116 Li4 N8 O4 -","2","1","","Clegg, William; Fleming, Ben J.; García-Álvarez, Pablo; Hogg, Lorna M.; Kennedy, Alan R.; Klett, Jan; Martínez-Martínez, Antonio J; Mulvey, Robert E.; Russo, Luca; O'Hara, Charles T","Structural elucidation of homometallic anthracenolates synthesised via deprotonative metallation of anthrone.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2512","2519","10.1039/c2dt32176a","","","0.71073","MoKα","","0.0912","0.0552","","","0.1513","0.1639","","","","","","1.01","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022265","10.45","0.0003","17.655","0.0004","13.5543","0.0004","90","","111.112","0.003","90","","2332.85","0.12","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 K2 N6 O2 -","- C46 H64 K2 N6 O2 -","- C92 H128 K4 N12 O4 -","2","0.5","","Clegg, William; Fleming, Ben J.; García-Álvarez, Pablo; Hogg, Lorna M.; Kennedy, Alan R.; Klett, Jan; Martínez-Martínez, Antonio J; Mulvey, Robert E.; Russo, Luca; O'Hara, Charles T","Structural elucidation of homometallic anthracenolates synthesised via deprotonative metallation of anthrone.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2512","2519","10.1039/c2dt32176a","","","0.71073","MoKα","","0.0718","0.0439","","","0.1057","0.112","","","","","","0.964","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022266","14.6935","0.0008","12.3086","0.0006","12.5596","0.0005","90","","100.338","0.004","90","","2234.61","0.19","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Mg N2 O -","- C24 H34 Mg N2 O -","- C96 H136 Mg4 N8 O4 -","4","1","","Clegg, William; Fleming, Ben J.; García-Álvarez, Pablo; Hogg, Lorna M.; Kennedy, Alan R.; Klett, Jan; Martínez-Martínez, Antonio J; Mulvey, Robert E.; Russo, Luca; O'Hara, Charles T","Structural elucidation of homometallic anthracenolates synthesised via deprotonative metallation of anthrone.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2512","2519","10.1039/c2dt32176a","","","1.5418","CuKα","","0.0733","0.0648","","","0.1823","0.1878","","","","","","1.109","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022267","12.2484","0.0009","13.6732","0.0007","12.7425","0.0009","90","","108.087","0.008","90","","2028.6","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N2 O Zn -","- C22 H30 N2 O Zn -","- C88 H120 N8 O4 Zn4 -","4","1","","Clegg, William; Fleming, Ben J.; García-Álvarez, Pablo; Hogg, Lorna M.; Kennedy, Alan R.; Klett, Jan; Martínez-Martínez, Antonio J; Mulvey, Robert E.; Russo, Luca; O'Hara, Charles T","Structural elucidation of homometallic anthracenolates synthesised via deprotonative metallation of anthrone.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2512","2519","10.1039/c2dt32176a","","","0.71073","MoKα","","0.0519","0.0296","","","0.0628","0.0657","","","","","","0.908","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022268","21.916","0.003","16.8022","0.0017","15.7466","0.0017","90","","90","","90","","5798.5","1.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C70 H64 N8 O2 Zn -","- C70 H64 N8 O2 Zn -","- C280 H256 N32 O8 Zn4 -","4","1","","Matlachowski, Corinna; Schwalbe, Matthias","Synthesis and characterization of mono- and dinuclear phenanthroline-extended tetramesitylporphyrin complexes as well as UV-Vis and EPR studies on their one-electron reduced species.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3490","3503","10.1039/c2dt32196c","","","0.71073","MoKα","","0.1055","0.0585","","","0.1092","0.1251","","","","","","0.951","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022269","10.4149","0.0008","6.5584","0.0004","10.4074","0.0008","90","","99.817","0.002","90","","700.47","0.09","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H13.4 Cl2 Cu N5 O0.2 -","- C9 H13.4 Cl2 Cu N5 O0.2 -","- C18 H26.8 Cl4 Cu2 N10 O0.4 -","2","1","","Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G.","Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2174","2185","10.1039/c2dt32200e","","","0.71073","MoKα","","0.0537","0.0446","","","0.1204","0.1273","","","","","","1.098","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022270","25.699","0.003","11.8161","0.0012","14.0404","0.0016","90","","108.467","0.006","90","","4044","0.8","89","2","89","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C10 H15 Cl2 Cu N5 -","- C10 H15 Cl2 Cu N5 -","- C120 H180 Cl24 Cu12 N60 -","12","1.5","","Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G.","Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2174","2185","10.1039/c2dt32200e","","","0.71073","MoKα","","0.0621","0.0464","","","0.1164","0.1264","","","","","","1.106","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022271","8.6809","0.0014","9.4471","0.0016","10.1041","0.0016","80.019","0.008","66.216","0.007","87.123","0.008","746.6","0.2","89","2","89","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H19 N7 -","- C14 H19 N7 -","- C28 H38 N14 -","2","1","","Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G.","Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2174","2185","10.1039/c2dt32200e","","","0.71073","MoKα","","0.0583","0.0457","","","0.1146","0.1239","","","","","","1.082","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022272","8.9001","0.0019","27.533","0.006","9.309","0.002","90","","115.746","0.006","90","","2054.7","0.8","89","2","89","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Cl4 Co2 N14 O6 -","- C28 H50 Cl4 Co2 N14 O6 -","- C56 H100 Cl8 Co4 N28 O12 -","2","0.5","","Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G.","Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2174","2185","10.1039/c2dt32200e","","","0.71073","MoKα","","0.096","0.0803","","","0.2055","0.2174","","","","","","1.04","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022273","30.936","0.005","8.5598","0.0011","13.9511","0.0017","90","","90","","90","","3694.3","0.9","89","2","89","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C26 H36 Cl6 Co3 N14 O -","- C26 H36 Cl6 Co3 N14 O -","- C104 H144 Cl24 Co12 N56 O4 -","4","0.5","","Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G.","Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2174","2185","10.1039/c2dt32200e","","","0.71073","MoKα","","0.0458","0.0364","","","0.07","0.0753","","","","","","1.046","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022274","11.248","0.0008","12.4598","0.0009","16.8996","0.001","104.078","0.003","92.51","0.003","99.617","0.003","2256.2","0.3","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20.3 Cl2 N8 O8.15 Zn -","- C15 H20.3 Cl2 N8 O8.15 Zn -","- C60 H81.2 Cl8 N32 O32.6 Zn4 -","4","2","","Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G.","Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2174","2185","10.1039/c2dt32200e","","","0.71073","MoKα","","0.0731","0.0518","","","0.0963","0.1088","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022275","11.2257","0.0008","12.4727","0.0008","16.8042","0.0011","104.251","0.002","92.739","0.002","99.693","0.002","2238.1","0.3","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20.25 Cl2 Co N8 O8.13 -","- C15 H20.25 Cl2 Co N8 O8.125 -","- C60 H81 Cl8 Co4 N32 O32.5 -","4","2","","Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G.","Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2174","2185","10.1039/c2dt32200e","","","0.71073","MoKα","","0.0793","0.047","","","0.1012","0.1161","","","","","","0.958","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022276","8.6197","0.0005","8.9389","0.0005","16.1896","0.0009","85.883","0.003","80.308","0.003","66.163","0.003","1124.72","0.11","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H22 Cl2 N7 O9.8 Zn -","- C14 H22 Cl2 N7 O9.8 Zn -","- C28 H44 Cl4 N14 O19.6 Zn2 -","2","1","","Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G.","Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2174","2185","10.1039/c2dt32200e","","","0.71073","MoKα","","0.0804","0.0603","","","0.1583","0.1744","","","","","","0.977","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022277","15.7304","0.0008","13.4168","0.0005","16.7662","0.001","90","","116.115","0.007","90","","3177.3","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H58 K Li2 N5 -","- C24 H58 K Li2 N5 -","- C96 H232 K4 Li8 N20 -","4","0.5","","Armstrong, David R.; Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.","A hetero-alkali-metal version of the utility amide LDA: lithium-potassium diisopropylamide.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3704","3711","10.1039/c2dt32204h","","","0.71073","MoKα","","0.057","0.0454","","","0.1147","0.1231","","","","","","1.049","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022278","10.3249","0.0006","10.8751","0.0005","29.3895","0.0017","90","","90","","90","","3300","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 Cl3 N8 O Ru -","- C26 H42 Cl3 N8 O Ru -","- C104 H168 Cl12 N32 O4 Ru4 -","4","1","","Łakomska, Iwona; Fandzloch, Marzena; Muzioł, Tadeusz; Lis, Tadeusz; Jezierska, Julia","Synthesis, characterization and antitumor properties of two highly cytotoxic ruthenium(iii) complexes with bulky triazolopyrimidine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6219","6226","10.1039/c2dt32216a","","x-ray","0.71073","MoKα","","0.0574","0.039","","","0.0661","0.0692","","","","","","0.922","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022279","19.345","0.006","22.677","0.007","22.576","0.007","90","","91.49","0.04","90","","9900","5","94","2","94","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41.44 H64.89 Cl3 N12 O0.81 Ru -","- C41.445 H64.89 Cl3 N12 O0.815 Ru -","- C331.56 H519.12 Cl24 N96 O6.52 Ru8 -","8","2","","Łakomska, Iwona; Fandzloch, Marzena; Muzioł, Tadeusz; Lis, Tadeusz; Jezierska, Julia","Synthesis, characterization and antitumor properties of two highly cytotoxic ruthenium(iii) complexes with bulky triazolopyrimidine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","17","6219","6226","10.1039/c2dt32216a","","x-ray","0.71073","MoKα","","0.1609","0.0706","","","0.1079","0.1173","","","","","","1.004","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022280","9.739","0.002","17.035","0.003","11.652","0.006","90","","103.84","0.03","90","","1877","1.1","122","1","122","1","","","","","","","","7","C 1 c 1","C -2yc","9","rac-cdelta*-bis(ethane-1,2-diamine)((S*)-N-methyl-3-nitro- (R*)-alaninato-kappa$2!N,O$1!)cobalt(iii) tetrachloridozincate","rac-Δ*-bis(ethane-1,2-diamine)[(<i>S</i>*)-<i>N</i>-methyl-3-nitro-(<i>R</i>*)- alaninato-κ^2^<i>N,O</i>^1^]cobalt(III) tetrachloridozincate","","- C8 H23 Cl4 Co N6 O4 Zn -","- C8 H23 Cl4 Co N6 O4 Zn -","- C32 H92 Cl16 Co4 N24 O16 Zn4 -","4","1","","Oerum, Stephanie; Krabbe, Peter; Schau-Magnussen, Magnus; Furbo, Søren; Bendix, Jesper; Hammershøi, Anders","Highly stereoselective, cobalt(III)-directed Mannich additions in water yielding α-methylamino acid products.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","292","298","10.1039/c2dt32250a","","","0.71073","MoKα","","0.0475","0.0411","","","0.1028","0.1094","","","","","","1.12","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022281","9.1773","0.0006","17.0562","0.0015","12.7279","0.001","90","","105.053","0.006","90","","1923.9","0.3","122","1","122","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","rac-cdelta*-bis(ethane-1,2-diamine)((S*)-N-methyl-4-oxo-(R*)- norvalinato-kappa$2!N,O$1!)cobalt(iii) tetrachloridozincate","rac-Δ*-bis(ethane-1,2-diamine)[(<i>S</i>*)-<i>N</i>-methyl-4-oxo-(<i>R</i>*)- norvalinato-κ^2^<i>N,O</i>^1^]cobalt(III) tetrachloridozincate","","- C10 H26 Cl4 Co N5 O3 Zn -","- C10 H26 Cl4 Co N5 O3 Zn -","- C40 H104 Cl16 Co4 N20 O12 Zn4 -","4","1","","Oerum, Stephanie; Krabbe, Peter; Schau-Magnussen, Magnus; Furbo, Søren; Bendix, Jesper; Hammershøi, Anders","Highly stereoselective, cobalt(III)-directed Mannich additions in water yielding α-methylamino acid products.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","292","298","10.1039/c2dt32250a","","","0.71073","MoKα","","0.0277","0.021","","","0.0491","0.053","","","","","","1.12","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022282","10.1175","0.0011","25.335","0.003","5.043","0.0004","90","","90","","90","","1292.7","0.2","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H13 N3 O5 -","- C12 H13 N3 O5 -","- C48 H52 N12 O20 -","4","1","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Kataev, Vladislav; Rüffer, Tobias","The formation of overlooked compounds in the reaction of methyl amine with the diethyl ester of o-phenylenebis(oxamic acid) in MeOH.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1798","1809","10.1039/c2dt32259e","","","1.54184","CuKα","","0.0752","0.0598","","","0.1448","0.1521","","","","","","0.953","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022283","15.3163","0.0005","9.0186","0.0003","14.8471","0.0005","90","","98.034","0.004","90","","2030.72","0.12","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 N2 O8 S2 -","- C16 H24 N2 O8 S2 -","- C64 H96 N8 O32 S8 -","4","0.5","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Kataev, Vladislav; Rüffer, Tobias","The formation of overlooked compounds in the reaction of methyl amine with the diethyl ester of o-phenylenebis(oxamic acid) in MeOH.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1798","1809","10.1039/c2dt32259e","","","0.71073","MoKα","","0.0357","0.029","","","0.0703","0.072","","","","","","1.062","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022284","18.5088","0.0004","17.1731","0.0004","14.223","0.0004","90","","91.997","0.003","90","","4518.08","0.19","115","","115","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H76 N4 Ni O6 -","- C42 H76 N4 Ni O6 -","- C168 H304 N16 Ni4 O24 -","4","0.5","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Kataev, Vladislav; Rüffer, Tobias","The formation of overlooked compounds in the reaction of methyl amine with the diethyl ester of o-phenylenebis(oxamic acid) in MeOH.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1798","1809","10.1039/c2dt32259e","","","1.54184","CuKα","","0.0445","0.0391","","","0.1041","0.1067","","","","","","1.009","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022285","18.5716","0.0009","17.2023","0.0007","14.1556","0.0005","90","","91.897","0.004","90","","4519.9","0.3","115","","115","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H76 Cu N4 O6 -","- C42 H76 Cu N4 O6 -","- C168 H304 Cu4 N16 O24 -","4","0.5","","Abdulmalic, Mohammad A.; Aliabadi, Azar; Petr, Andreas; Kataev, Vladislav; Rüffer, Tobias","The formation of overlooked compounds in the reaction of methyl amine with the diethyl ester of o-phenylenebis(oxamic acid) in MeOH.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1798","1809","10.1039/c2dt32259e","","","1.54184","CuKα","","0.0639","0.0496","","","0.1246","0.13","","","","","","0.943","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022286","8.501","0.002","16.505","0.003","11.134","0.003","90","","106.599","0.003","90","","1497.1","0.6","120","2","120","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","","","","- C24 H45 F6 O P3 Pd -","- C24 H45 F6 O P3 Pd -","- C48 H90 F12 O2 P6 Pd2 -","2","1","","Rossin, Andrea; Bottari, Giovanni; Lozano-Vila, Ana M; Paneque, Margarita; Peruzzini, Maurizio; Rossi, Andrea; Zanobini, Fabrizio","Catalytic amine-borane dehydrogenation by a PCP-pincer palladium complex: a combined experimental and DFT analysis of the reaction mechanism.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3533","3541","10.1039/c2dt32273k","","x-ray","0.71069","MoKα","","0.0373","0.031","","","0.0679","0.0727","","","","","","1.049","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022287","12.259","0.0004","21.044","0.0008","26.079","0.0011","105.526","0.002","93.192","0.002","104.324","0.001","6227","0.4","110","2","110","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C51 H97 B2 N5 P2 Ru -","- C51 H97 B2 N5 P2 Ru -","- C204 H388 B8 N20 P8 Ru4 -","4","2","","Joost, Maximilian; Alcaraz, Gilles; Vendier, Laure; Poblador-Bahamonde, Amalia; Clot, Eric; Sabo-Etienne, Sylviane","Synthesis of a ruthenium bis(diisopropylamino(isocyano)borane) complex from the activation of an amino(cyano)borane.","Dalton transactions (Cambridge, England : 2003)","2013","42","3","776","781","10.1039/c2dt32274a","","","0.71073","MoKα","","0.0892","0.0565","","","0.1476","0.158","","","","","","1.06","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022288","9.042","0.002","8.632","0.001","16.028","0.003","90","","98.03","0.02","90","","1238.7","0.4","298","","298","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C22 H36 Co N4 O9 -","- C22 H30 Co N4 O9 -","- C44 H60 Co2 N8 O18 -","2","0.5","","Borgogelli, Elisa; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","Preorganizing binding side-arms on a cyclen scaffold: the choice of a suitable metal ion.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2902","2912","10.1039/c2dt32278a","","","0.71073","MoKα","","0.2018","0.0801","","","0.1751","0.2028","","","","","","0.876","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022289","17.662","0.005","8.804","0.005","18.188","0.005","90","0.005","90","0.005","90","0.005","2828","2","298","","298","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H40 Co N6 O8 -","- C26 H32 Co N6 O8 -","- C104 H128 Co4 N24 O32 -","4","0.5","","Borgogelli, Elisa; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","Preorganizing binding side-arms on a cyclen scaffold: the choice of a suitable metal ion.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2902","2912","10.1039/c2dt32278a","","","0.71073","MoKα","","0.1218","0.0732","","","0.1744","0.1973","","","","","","1.114","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022290","8.828","0.002","9.128","0.003","16.881","0.004","91.84","0.02","94.77","0.02","95.47","0.02","1348.3","0.6","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 Cl Co N4 Na O12 -","- C22 H34 Cl Co N4 Na O12 -","- C44 H68 Cl2 Co2 N8 Na2 O24 -","2","1","","Borgogelli, Elisa; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","Preorganizing binding side-arms on a cyclen scaffold: the choice of a suitable metal ion.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2902","2912","10.1039/c2dt32278a","","","0.71073","MoKα","","0.0948","0.0384","","","0.0612","0.0675","","","","","","0.782","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022291","9.374","0.002","11.78","0.002","15.774","0.002","88.91","0.01","90.17","0.02","69.82","0.02","1634.5","0.5","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H76 Cl4 Cu4 N8 O36 -","- C44 H60 Cl4 Cu4 N8 O36 -","- C44 H60 Cl4 Cu4 N8 O36 -","1","0.5","","Borgogelli, Elisa; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","Preorganizing binding side-arms on a cyclen scaffold: the choice of a suitable metal ion.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2902","2912","10.1039/c2dt32278a","","","0.71073","MoKα","","0.055","0.0428","","","0.1132","0.1437","","","","","","0.801","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022292","25.897","0.003","10.5743","0.001","11.8334","0.0011","90","","90","","90","","3240.5","0.6","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H25 Cl Cu2 N9 O4 -","- C29 H25 Cl Cu2 N9 O4 -","- C116 H100 Cl4 Cu8 N36 O16 -","4","1","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.1537","0.049","","","0.0555","0.0779","","","","","","0.771","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022293","25.707","0.006","10.625","0.003","11.749","0.003","90","","90","","90","","3209.1","1.4","291","2","291","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H25 B Cu2 F4 N9 -","- C29 H25 B Cu2 F4 N9 -","- C116 H100 B4 Cu8 F16 N36 -","4","1","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.1432","0.0461","","","0.0652","0.0781","","","","","","0.707","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022294","8.8668","0.0007","19.0323","0.0015","25.6999","0.0019","90","","102.594","0.002","90","","4232.7","0.6","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 B Cu F4 N5 O0.5 -","- C21 H17 B Cu F4 N5 O0.5 -","- C168 H136 B8 Cu8 F32 N40 O4 -","8","2","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.1243","0.0615","","","0.1563","0.1762","","","","","","0.85","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022295","21.781","0.003","13.119","0.002","16.471","0.003","90","","106.61","0.002","90","","4510.1","1.2","291","2","291","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C82 H70 B6 Cu4 F24 N18 O3 -","- C82 H70 B6 Cu4 F24 N18 O3 -","- C164 H140 B12 Cu8 F48 N36 O6 -","2","0.5","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.0967","0.0478","","","0.1095","0.1201","","","","","","0.834","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022296","15.148","0.003","16.542","0.003","24.379","0.004","104.058","0.003","92.414","0.003","98.864","0.003","5834.9","1.8","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C103 H83 Cu4 F42 N22 P7 -","- C103 H83 Cu4 F42 N22 P7 -","- C206 H166 Cu8 F84 N44 P14 -","2","1","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.1576","0.0557","","","0.123","0.1536","","","","","","0.665","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022297","10.6386","0.0012","25.035","0.003","13.8438","0.0015","90","","107.581","0.002","90","","3514.9","0.7","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 B Cu F4 N8 -","- C36 H36 B Cu F4 N8 -","- C144 H144 B4 Cu4 F16 N32 -","4","1","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.1381","0.0486","","","0.0716","0.0858","","","","","","0.731","","","","has coordinates,has disorder","179927","2020-10-21","18:00:00",""
"7022298","14.041","0.004","22.998","0.006","18.19","0.004","90","","112.702","0.016","90","","5419","2","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H48 Cl2 Cu2 N10 O10 -","- C49 H48 Cl2 Cu2 N10 O10 -","- C196 H192 Cl8 Cu8 N40 O40 -","4","0.5","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.1442","0.0838","","","0.2256","0.2515","","","","","","0.891","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022299","16.6925","0.0018","33.626","0.004","14.1498","0.0016","90","","90","","90","","7942.3","1.6","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C62 H74 Cl3 Cu3 N12 O19 -","- C62 H74 Cl3 Cu3 N12 O19 -","- C248 H296 Cl12 Cu12 N48 O76 -","4","0.5","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.119","0.0651","","","0.1731","0.1912","","","","","","0.879","","","","has coordinates","179927","2020-10-21","18:00:00",""
"7022300","10.0341","0.0013","11.5133","0.0015","12.2062","0.0016","64.138","0.002","72.057","0.002","69.254","0.002","1166.7","0.3","291","2","291","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H18 B Cu F4 N5 O -","- C25 H18 B Cu F4 N5 O -","- C50 H36 B2 Cu2 F8 N10 O2 -","2","1","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.0912","0.0569","","","0.1407","0.1576","","","","","","1","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022301","10.4565","0.0015","14.39","0.002","7.5675","0.0011","90","","97.177","0.002","90","","1129.8","0.3","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H16 Cu F6 N4 P -","- C24 H16 Cu F6 N4 P -","- C48 H32 Cu2 F12 N8 P2 -","2","0.5","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.0908","0.0416","","","0.0746","0.0842","","","","","","0.818","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022302","11.3756","0.0013","13.2455","0.0014","14.4389","0.0016","104.478","0.002","109.096","0.002","92.224","0.002","1973.2","0.4","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H92 Cl2 Cu2 N8 O8 -","- C80 H92 Cl2 Cu2 N8 O8 -","- C80 H92 Cl2 Cu2 N8 O8 -","1","0.5","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.1327","0.0859","","","0.2345","0.2562","","","","","","0.889","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022303","17.7849","0.0015","9.4814","0.0008","18.1854","0.0015","90","","113.714","0.001","90","","2807.6","0.4","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 Cl2 Cu N6 O8 -","- C25 H22 Cl2 Cu N6 O8 -","- C100 H88 Cl8 Cu4 N24 O32 -","4","1","","Xu, Feng; Tao, Tao; Zhang, Kun; Wang, Xiao-Xu; Huang, Wei; You, Xiao-Zeng","C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and in situ formation of cyano-bridged mixed-valent copper complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3631","3645","10.1039/c2dt32281a","","","0.71073","MoKα","","0.0535","0.0396","","","0.1086","0.1143","","","","","","1.052","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022304","6.6753","0.0002","10.3614","0.0003","11.5961","0.0004","71.528","0.003","73.693","0.003","78.321","0.003","724.43","0.04","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 Hg2 N16 -","- C26 H24 Hg2 N16 -","- C26 H24 Hg2 N16 -","1","0.5","","Basu Baul, Tushar S.; Kundu, Sajal; Mitra, Sivaprasad; Höpfl, Herbert; Tiekink, Edward R. T.; Linden, Anthony","The influence of counter ion and ligand methyl substitution on the solid-state structures and photophysical properties of mercury(II) complexes with (E)-N-(pyridin-2-ylmethylidene)arylamines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1905","1920","10.1039/c2dt32283h","","","0.71073","MoKα","","0.0239","0.0204","","","0.0408","0.0424","","","","","","1.069","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022305","8.03383","0.00016","8.9441","0.0002","10.0091","0.0003","106.595","0.003","100.732","0.002","99.5612","0.0019","658.57","0.03","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Br4 Hg2 N4 -","- C24 H20 Br4 Hg2 N4 -","- C24 H20 Br4 Hg2 N4 -","1","0.5","","Basu Baul, Tushar S.; Kundu, Sajal; Mitra, Sivaprasad; Höpfl, Herbert; Tiekink, Edward R. T.; Linden, Anthony","The influence of counter ion and ligand methyl substitution on the solid-state structures and photophysical properties of mercury(II) complexes with (E)-N-(pyridin-2-ylmethylidene)arylamines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1905","1920","10.1039/c2dt32283h","","","0.71073","MoKα","","0.0424","0.0384","","","0.0976","0.1002","","","","","","1.072","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022306","12.68311","0.00019","7.13335","0.0001","15.9101","0.0002","90","","90.8269","0.0013","90","","1439.29","0.03","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H10 Hg I2 N2 -","- C12 H10 Hg I2 N2 -","- C48 H40 Hg4 I8 N8 -","4","1","","Basu Baul, Tushar S.; Kundu, Sajal; Mitra, Sivaprasad; Höpfl, Herbert; Tiekink, Edward R. T.; Linden, Anthony","The influence of counter ion and ligand methyl substitution on the solid-state structures and photophysical properties of mercury(II) complexes with (E)-N-(pyridin-2-ylmethylidene)arylamines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1905","1920","10.1039/c2dt32283h","","","0.71073","MoKα","","0.0321","0.0272","","","0.0631","0.066","","","","","","1.046","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022307","8.2038","0.0011","13.8179","0.0019","14.4494","0.0019","115.149","0.002","99.505","0.002","100.406","0.002","1403.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl4 Hg2 N4 -","- C26 H24 Cl4 Hg2 N4 -","- C52 H48 Cl8 Hg4 N8 -","2","1","","Basu Baul, Tushar S.; Kundu, Sajal; Mitra, Sivaprasad; Höpfl, Herbert; Tiekink, Edward R. T.; Linden, Anthony","The influence of counter ion and ligand methyl substitution on the solid-state structures and photophysical properties of mercury(II) complexes with (E)-N-(pyridin-2-ylmethylidene)arylamines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1905","1920","10.1039/c2dt32283h","","","0.71073","MoKα","","0.0608","0.0402","","","0.1013","0.1334","","","","","","1.039","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022308","12.0247","0.0016","14.3877","0.0019","17.542","0.002","78.37","0.002","83.453","0.002","78.383","0.002","2903.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Cl2 Hg N2 -","- C13 H12 Cl2 Hg N2 -","- C104 H96 Cl16 Hg8 N16 -","8","4","","Basu Baul, Tushar S.; Kundu, Sajal; Mitra, Sivaprasad; Höpfl, Herbert; Tiekink, Edward R. T.; Linden, Anthony","The influence of counter ion and ligand methyl substitution on the solid-state structures and photophysical properties of mercury(II) complexes with (E)-N-(pyridin-2-ylmethylidene)arylamines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1905","1920","10.1039/c2dt32283h","","","0.71073","MoKα","","0.0973","0.0382","","","0.0523","0.0567","","","","","","0.987","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7022309","7.7944","0.0009","8.4673","0.001","21.336","0.002","90","","95.221","0.002","90","","1402.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl4 Hg2 N4 -","- C26 H24 Cl4 Hg2 N4 -","- C52 H48 Cl8 Hg4 N8 -","2","0.5","","Basu Baul, Tushar S.; Kundu, Sajal; Mitra, Sivaprasad; Höpfl, Herbert; Tiekink, Edward R. T.; Linden, Anthony","The influence of counter ion and ligand methyl substitution on the solid-state structures and photophysical properties of mercury(II) complexes with (E)-N-(pyridin-2-ylmethylidene)arylamines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1905","1920","10.1039/c2dt32283h","","","0.71073","MoKα","","0.0347","0.0289","","","0.0617","0.0631","","","","","","0.964","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022310","7.5731","0.0019","15.346","0.004","12.503","0.003","90","","97.653","0.004","90","","1440.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl4 Hg2 N4 -","- C26 H24 Cl4 Hg2 N4 -","- C52 H48 Cl8 Hg4 N8 -","2","0.5","","Basu Baul, Tushar S.; Kundu, Sajal; Mitra, Sivaprasad; Höpfl, Herbert; Tiekink, Edward R. T.; Linden, Anthony","The influence of counter ion and ligand methyl substitution on the solid-state structures and photophysical properties of mercury(II) complexes with (E)-N-(pyridin-2-ylmethylidene)arylamines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1905","1920","10.1039/c2dt32283h","","","0.71073","MoKα","","0.0648","0.0413","","","0.0704","0.0759","","","","","","1.06","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022311","8.2201","0.0001","17.5934","0.0003","10.043","0.0002","90","","104.689","0.0009","90","","1404.94","0.04","160","1","160","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 Br4 Hg2 N4 -","- C26 H24 Br4 Hg2 N4 -","- C52 H48 Br8 Hg4 N8 -","2","1","","Basu Baul, Tushar S.; Kundu, Sajal; Mitra, Sivaprasad; Höpfl, Herbert; Tiekink, Edward R. T.; Linden, Anthony","The influence of counter ion and ligand methyl substitution on the solid-state structures and photophysical properties of mercury(II) complexes with (E)-N-(pyridin-2-ylmethylidene)arylamines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1905","1920","10.1039/c2dt32283h","","","0.71073","MoKα","","0.0383","0.0318","","","0.0698","0.0731","","","","","","1.042","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022312","7.7545","0.0001","9.9076","0.0002","10.9202","0.0002","76.8887","0.001","83.9298","0.001","76.6521","0.001","793.78","0.02","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Hg I2 N2 -","- C13 H12 Hg I2 N2 -","- C26 H24 Hg2 I4 N4 -","2","1","","Basu Baul, Tushar S.; Kundu, Sajal; Mitra, Sivaprasad; Höpfl, Herbert; Tiekink, Edward R. T.; Linden, Anthony","The influence of counter ion and ligand methyl substitution on the solid-state structures and photophysical properties of mercury(II) complexes with (E)-N-(pyridin-2-ylmethylidene)arylamines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1905","1920","10.1039/c2dt32283h","","","0.71073","MoKα","","0.0443","0.0397","","","0.1006","0.1045","","","","","","1.069","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022313","10.6101","0.0002","14.2146","0.0002","10.3608","0.0002","90","","97.2161","0.0011","90","","1550.22","0.05","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Hg N4 O6 -","- C13 H12 Hg N4 O6 -","- C52 H48 Hg4 N16 O24 -","4","1","","Basu Baul, Tushar S.; Kundu, Sajal; Mitra, Sivaprasad; Höpfl, Herbert; Tiekink, Edward R. T.; Linden, Anthony","The influence of counter ion and ligand methyl substitution on the solid-state structures and photophysical properties of mercury(II) complexes with (E)-N-(pyridin-2-ylmethylidene)arylamines.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1905","1920","10.1039/c2dt32283h","","","0.71073","MoKα","","0.0418","0.0305","","","0.0689","0.0741","","","","","","1.042","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022314","5.2403","0.0001","9.224","0.0003","10.806","0.0004","112.901","0.004","95.506","0.002","90.995","0.002","478.08","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C2.5 H10.5 N O7 P2 V -","- C2.5 H10.5 N O7 P2 V -","- C5 H21 N2 O14 P4 V2 -","2","1","","Orive, Joseba; Larrea, Edurne S.; Fernández de Luis, Roberto; Iglesias, Marta; Mesa, José L; Rojo, Teófilo; Arriortua, María I","Amine templated open-framework vanadium(III) phosphites with catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4500","4512","10.1039/c2dt32286b","","","0.71073","MoKα","","0.0382","0.0327","","","0.0919","0.0968","","","","","","1.087","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022315","13.4107","0.0003","13.4107","0.0003","27.5678","0.0007","90","","90","","120","","4293.74","0.17","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C40 H160 N8 O126.87 P34 V18 -","- C39.96 H160.04 N8.04 O126.872 P34 V18 -","- C39.96 H160.04 N8.04 O126.872 P34 V18 -","1","0.0833333","","Orive, Joseba; Larrea, Edurne S.; Fernández de Luis, Roberto; Iglesias, Marta; Mesa, José L; Rojo, Teófilo; Arriortua, María I","Amine templated open-framework vanadium(III) phosphites with catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4500","4512","10.1039/c2dt32286b","","","0.71073","MoKα","","0.0555","0.0479","","","0.1355","0.1393","","","","","","1.057","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022316","13.4578","0.0002","13.4578","0.0002","27.6928","0.0007","90","","90","","120","","4343.56","0.14","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C36 H148 N6 O121.82 P34 V18 -","- C36 H154 N6 O121.82 P34 V18 -","- C36 H154 N6 O121.82 P34 V18 -","1","0.0833333","","Orive, Joseba; Larrea, Edurne S.; Fernández de Luis, Roberto; Iglesias, Marta; Mesa, José L; Rojo, Teófilo; Arriortua, María I","Amine templated open-framework vanadium(III) phosphites with catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4500","4512","10.1039/c2dt32286b","","","0.71073","MoKα","","0.0705","0.0613","","","0.1749","0.1816","","","","","","1.077","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022317","13.4125","0.0001","13.4125","0.0001","27.8003","0.0003","90","","90","","120","","4331.11","0.07","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C42 H148 N6 O120.68 P34 V18 -","- C42 H154 N6 O120.68 P34 V18 -","- C42 H154 N6 O120.68 P34 V18 -","1","0.0833333","","Orive, Joseba; Larrea, Edurne S.; Fernández de Luis, Roberto; Iglesias, Marta; Mesa, José L; Rojo, Teófilo; Arriortua, María I","Amine templated open-framework vanadium(III) phosphites with catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4500","4512","10.1039/c2dt32286b","","","1.54184","CuKα","","0.045","0.0438","","","0.128","0.1298","","","","","","1.096","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022318","15.3218","0.0002","15.5131","0.0002","23.0555","0.0003","90","","90","","90","","5480.03","0.12","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H82 Ca2 N8 O2 Si4 -","- C42 H82 Ca2 N8 O2 Si4 -","- C168 H328 Ca8 N32 O8 Si16 -","4","0.5","","Huang, Tzu-Lun; Chen, Chi-Tien","Calcium complexes containing oxalamidinate ligands as catalysts for ε-caprolactone polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9255","9262","10.1039/c2dt32300a","","","0.71073","MoKα","","0.0624","0.0442","","","0.1353","0.1429","","","","","","1.005","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022319","8.8655","0.0018","11.826","0.002","13.45","0.003","88.28","0.03","75.63","0.03","70.27","0.03","1283.6","0.5","446","2","446","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H30 N2 -","- C34 H30 N2 -","- C68 H60 N4 -","2","1","","Song, Kuifeng; Yang, Wenhong; Li, Baixiang; Liu, Qingbin; Redshaw, Carl; Li, Yuesheng; Sun, Wen-Hua","Nickel(II) complexes bearing 4,5-bis(arylimino)pyrenylidenes: synthesis, characterization, and ethylene polymerization behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9166","9175","10.1039/c2dt32343e","","","0.71073","MoKα","","0.0951","0.082","","","0.2297","0.2475","","","","","","1.022","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022320","8.089","0.0016","18.545","0.004","19.786","0.004","79.56","0.03","86.95","0.03","88.8","0.03","2914.6","1.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H38 N2 -","- C38 H38 N2 -","- C152 H152 N8 -","4","2","","Song, Kuifeng; Yang, Wenhong; Li, Baixiang; Liu, Qingbin; Redshaw, Carl; Li, Yuesheng; Sun, Wen-Hua","Nickel(II) complexes bearing 4,5-bis(arylimino)pyrenylidenes: synthesis, characterization, and ethylene polymerization behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9166","9175","10.1039/c2dt32343e","","","0.71073","MoKα","","0.1793","0.1339","","","0.3404","0.3873","","","","","","1.098","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022321","11.613","0.002","15.244","0.003","18.47","0.004","106.33","0.03","98.48","0.03","96.4","0.03","3063","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H27 Br2 N2 Ni -","- C32 H26 Br2 N2 Ni -","- C128 H104 Br8 N8 Ni4 -","4","2","","Song, Kuifeng; Yang, Wenhong; Li, Baixiang; Liu, Qingbin; Redshaw, Carl; Li, Yuesheng; Sun, Wen-Hua","Nickel(II) complexes bearing 4,5-bis(arylimino)pyrenylidenes: synthesis, characterization, and ethylene polymerization behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9166","9175","10.1039/c2dt32343e","","","0.71073","MoKα","","0.1115","0.0831","","","0.1903","0.2112","","","","","","1.075","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022322","14.873","0.003","16.51","0.003","16.616","0.003","99.21","0.03","101.46","0.03","113.54","0.03","3533.5","1.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Br2 N2 Ni -","- C34 H30 Br2 N2 Ni -","- C136 H120 Br8 N8 Ni4 -","4","2","","Song, Kuifeng; Yang, Wenhong; Li, Baixiang; Liu, Qingbin; Redshaw, Carl; Li, Yuesheng; Sun, Wen-Hua","Nickel(II) complexes bearing 4,5-bis(arylimino)pyrenylidenes: synthesis, characterization, and ethylene polymerization behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9166","9175","10.1039/c2dt32343e","","","0.71073","MoKα","","0.1506","0.0995","","","0.2617","0.2991","","","","","","1.049","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022323","7.9274","0.0012","9.6236","0.0014","11.0373","0.0016","86.8","0.002","74.598","0.002","78.731","0.002","796.1","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Co N4 O4 -","- C14 H16 Co N4 O4 -","- C28 H32 Co2 N8 O8 -","2","1","","Zheng, Yan-Zhen; Qin, Lei; Zheng, Zhiping; Xue, Wei; Chen, Xiao-Ming","Assembly of alternating spin-chains with magnetically anisotropic cobalt(II) dimers.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1770","1777","10.1039/c2dt32362a","","","0.71073","MoKα","","0.0431","0.0376","","","0.0929","0.0963","","","","","","1.067","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022324","13.1008","0.0012","9.833","0.0009","19.4152","0.0017","90","","94.236","0.001","90","","2494.2","0.4","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Cl2 Co2 N8 O4 -","- C20 H24 Cl2 Co2 N8 O4 -","- C80 H96 Cl8 Co8 N32 O16 -","4","0.5","","Zheng, Yan-Zhen; Qin, Lei; Zheng, Zhiping; Xue, Wei; Chen, Xiao-Ming","Assembly of alternating spin-chains with magnetically anisotropic cobalt(II) dimers.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1770","1777","10.1039/c2dt32362a","","","0.71073","MoKα","","0.0353","0.0325","","","0.092","0.094","","","","","","1.013","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022325","7.2601","0.0005","7.9312","0.0005","9.9686","0.0007","84.796","0.001","84.627","0.001","85.949","0.001","568.01","0.07","288","2","288","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Co N2 O4 -","- C11 H12 Co N2 O4 -","- C22 H24 Co2 N4 O8 -","2","1","","Zheng, Yan-Zhen; Qin, Lei; Zheng, Zhiping; Xue, Wei; Chen, Xiao-Ming","Assembly of alternating spin-chains with magnetically anisotropic cobalt(II) dimers.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1770","1777","10.1039/c2dt32362a","","","0.71073","MoKα","","0.0242","0.0232","","","0.0655","0.0662","","","","","","1.006","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022326","12.6846","0.0004","12.826","0.0004","13.7071","0.0005","94.776","0.001","108.04","0.001","115.413","0.001","1853.59","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H66 Ag6 N12 O20 S6 Zn2 -","- C64 H66 Ag6 N12 O20 S6 Zn2 -","- C64 H66 Ag6 N12 O20 S6 Zn2 -","1","0.5","","Sun, Di; Zhang, Liangliang; Lu, Haifeng; Feng, Shengyu; Sun, Daofeng","Bright-yellow to orange-red thermochromic luminescence of an AgI6-ZnII2 heterometallic aggregate.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3528","3532","10.1039/c2dt32375c","","","0.71073","MoKα","","0.094","0.049","","","0.1065","0.1629","","","","","","1.064","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022327","8.9421","0.0001","18.1282","0.0003","32.8942","0.0005","90","","90","","90","","5332.29","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H33 B11 N2 -","- C24 H33 B11 N2 -","- C192 H264 B88 N16 -","8","1","","Weber, Lothar; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Harder, Rachel A.; Low, Paul J.; Fox, Mark A.","Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2266","2281","10.1039/c2dt32378h","","","0.71073","MoKα","","0.0716","0.0468","","","0.1076","0.117","","","","","","1.038","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022328","32.7337","0.001","9.1743","0.0003","17.9601","0.0006","90","","92.527","0.001","90","","5388.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H33 B11 N2 Si -","- C23 H33 B11 N2 Si -","- C184 H264 B88 N16 Si8 -","8","1","","Weber, Lothar; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Harder, Rachel A.; Low, Paul J.; Fox, Mark A.","Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2266","2281","10.1039/c2dt32378h","","","1.54178","CuKα","","0.0331","0.0315","","","0.0823","0.084","","","","","","1.039","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022329","10.5999","0.0009","10.7239","0.0008","11.4518","0.0009","77.059","0.004","73.511","0.004","86.154","0.004","1216.5","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H29 B11 N2 -","- C22 H29 B11 N2 -","- C44 H58 B22 N4 -","2","1","","Weber, Lothar; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Harder, Rachel A.; Low, Paul J.; Fox, Mark A.","Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2266","2281","10.1039/c2dt32378h","","","0.71073","MoKα","","0.0371","0.0338","","","0.0884","0.0918","","","","","","1.045","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022330","24.2528","0.0008","11.4383","0.0004","21.4261","0.0007","90","","106.751","0.002","90","","5691.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H37 B11 N2 -","- C26 H37 B11 N2 -","- C208 H296 B88 N16 -","8","2","","Weber, Lothar; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Harder, Rachel A.; Low, Paul J.; Fox, Mark A.","Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2266","2281","10.1039/c2dt32378h","","","0.71073","MoKα","","0.0823","0.0513","","","0.1214","0.1388","","","","","","1.021","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022331","10.5981","0.0003","21.2614","0.0006","25.8359","0.0008","90","","90","","90","","5821.6","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H37 B11 N2 Si -","- C25 H37 B11 N2 Si -","- C200 H296 B88 N16 Si8 -","8","1","","Weber, Lothar; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Harder, Rachel A.; Low, Paul J.; Fox, Mark A.","Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2266","2281","10.1039/c2dt32378h","","","0.71073","MoKα","","0.0461","0.0387","","","0.1035","0.1104","","","","","","1.016","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022332","22.0316","0.0011","14.1828","0.0007","13.5281","0.0006","90","","107.725","0.002","90","","4026.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H29 B11 N2 -","- C14 H29 B11 N2 -","- C112 H232 B88 N16 -","8","2","","Weber, Lothar; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Harder, Rachel A.; Low, Paul J.; Fox, Mark A.","Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2266","2281","10.1039/c2dt32378h","","","0.71073","MoKα","","0.0498","0.0433","","","0.1142","0.1206","","","","","","1.085","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022333","14.3743","0.0002","10.1727","0.0001","10.6391","0.0002","90","","101.981","0.0008","90","","1521.82","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 B11 N2 -","- C9 H19 B11 N2 -","- C36 H76 B44 N8 -","4","1","","Weber, Lothar; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Harder, Rachel A.; Low, Paul J.; Fox, Mark A.","Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2266","2281","10.1039/c2dt32378h","","","0.71073","MoKα","","0.0447","0.0384","","","0.1046","0.1094","","","","","","1.045","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022334","29.9617","0.0019","8.7549","0.0005","37.433","0.002","90","","103.214","0.002","90","","9559.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 B Br N2 -","- C26 H30 B Br N2 -","- C416 H480 B16 Br16 N32 -","16","4","","Weber, Lothar; Kahlert, Jan; Böhling, Lena; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Harder, Rachel A.; Low, Paul J.; Fox, Mark A.","Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2266","2281","10.1039/c2dt32378h","","","1.54178","CuKα","","0.0334","0.0328","","","0.087","0.0875","","","","","","1.059","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022335","9.3379","0.0006","15.7099","0.0014","22.4311","0.0012","102.474","0.006","101.713","0.005","104.905","0.007","2985.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H36 O27 Pr2 S3 -","- C45 H36 O27 Pr2 S3 -","- C90 H72 O54 Pr4 S6 -","2","1","","Hou, Yin-Ling; Xiong, Gang; Shen, Bo; Zhao, Bin; Chen, Zhi; Cui, Jian-Zhong","Structures, luminescent and magnetic properties of six lanthanide-organic frameworks: observation of slow magnetic relaxation behavior in the DyIII compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3587","3596","10.1039/c2dt32390g","","","0.71073","MoKα","","0.0743","0.0485","","","0.0996","0.1075","","","","","","0.959","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022336","9.2706","0.0003","15.6634","0.0007","22.31","0.0008","102.25","0.003","101.468","0.003","104.507","0.003","2954.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H36 Eu2 O27 S3 -","- C45 H36 Eu2 O27 S3 -","- C90 H72 Eu4 O54 S6 -","2","1","","Hou, Yin-Ling; Xiong, Gang; Shen, Bo; Zhao, Bin; Chen, Zhi; Cui, Jian-Zhong","Structures, luminescent and magnetic properties of six lanthanide-organic frameworks: observation of slow magnetic relaxation behavior in the DyIII compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3587","3596","10.1039/c2dt32390g","","","0.71073","MoKα","","0.0686","0.0467","","","0.0941","0.1013","","","","","","0.987","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022337","9.2654","0.0003","15.6423","0.0007","22.2867","0.001","102.154","0.004","101.481","0.003","104.445","0.003","2947.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H36 Gd2 O27 S3 -","- C45 H36 Gd2 O27 S3 -","- C90 H72 Gd4 O54 S6 -","2","1","","Hou, Yin-Ling; Xiong, Gang; Shen, Bo; Zhao, Bin; Chen, Zhi; Cui, Jian-Zhong","Structures, luminescent and magnetic properties of six lanthanide-organic frameworks: observation of slow magnetic relaxation behavior in the DyIII compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3587","3596","10.1039/c2dt32390g","","","0.71073","MoKα","","0.0785","0.0622","","","0.1444","0.1519","","","","","","1.075","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022338","9.2574","0.0019","15.601","0.003","22.274","0.004","102.19","0.03","101.58","0.03","104.32","0.03","2936","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H36 O27 S3 Tb2 -","- C45 H36 O27 S3 Tb2 -","- C90 H72 O54 S6 Tb4 -","2","1","","Hou, Yin-Ling; Xiong, Gang; Shen, Bo; Zhao, Bin; Chen, Zhi; Cui, Jian-Zhong","Structures, luminescent and magnetic properties of six lanthanide-organic frameworks: observation of slow magnetic relaxation behavior in the DyIII compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3587","3596","10.1039/c2dt32390g","","","0.71073","MoKα","","0.0581","0.0413","","","0.0829","0.0905","","","","","","1.013","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022339","9.1999","0.0006","15.578","0.003","22.142","0.005","102.856","0.017","101.552","0.012","104.517","0.012","2882.7","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H0.5 Dy2 O27 S3 -","- C45 H36 Dy2 O27 S3 -","- C90 H72 Dy4 O54 S6 -","2","1","","Hou, Yin-Ling; Xiong, Gang; Shen, Bo; Zhao, Bin; Chen, Zhi; Cui, Jian-Zhong","Structures, luminescent and magnetic properties of six lanthanide-organic frameworks: observation of slow magnetic relaxation behavior in the DyIII compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3587","3596","10.1039/c2dt32390g","","","0.71073","MoKα","","0.1055","0.064","","","0.111","0.1276","","","","","","0.949","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022340","9.1671","0.0018","15.52","0.003","22.199","0.004","102.89","0.03","101.79","0.03","104.14","0.03","2871.4","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H38 Ho2 O27.5 S3 -","- C45 H38 Ho2 O27.5 S3 -","- C90 H76 Ho4 O55 S6 -","2","1","","Hou, Yin-Ling; Xiong, Gang; Shen, Bo; Zhao, Bin; Chen, Zhi; Cui, Jian-Zhong","Structures, luminescent and magnetic properties of six lanthanide-organic frameworks: observation of slow magnetic relaxation behavior in the DyIII compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3587","3596","10.1039/c2dt32390g","","","0.71073","MoKα","","0.0988","0.0801","","","0.2018","0.2142","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022341","28.011","0.016","12.952","0.007","15.675","0.008","90","","110.314","0.009","90","","5333","5","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 Br Cl2 Mn N5 O3 -","- C25 H19 Br Cl2 Mn N5 O3 -","- C200 H152 Br8 Cl16 Mn8 N40 O24 -","8","1","","Álvarez, Celedonio M; García-Escudero, Luis A; García-Rodríguez, Raúl; Miguel, Daniel","Schiff plus click: one-pot preparation of triazole-substituted iminopyridines and ring opening of the triazole ring.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2556","2561","10.1039/c2dt32400h","","","0.71073","MoKα","","0.1742","0.079","","","0.1227","0.1441","","","","","","1.006","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022342","9.13","0.003","9.212","0.004","15.212","0.006","90","","97.672","0.006","90","","1268","0.9","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H24 Cl Mo N5 O2 -","- C27 H24 Cl Mo N5 O2 -","- C54 H48 Cl2 Mo2 N10 O4 -","2","1","","Álvarez, Celedonio M; García-Escudero, Luis A; García-Rodríguez, Raúl; Miguel, Daniel","Schiff plus click: one-pot preparation of triazole-substituted iminopyridines and ring opening of the triazole ring.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2556","2561","10.1039/c2dt32400h","","","0.71073","MoKα","","0.0401","0.0297","","","0.0742","0.0768","","","","","","1.005","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022343","12.04","0.003","13.482","0.003","17.438","0.004","71.621","0.004","88.961","0.004","77.24","0.004","2615.8","1.1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H19 Br N3 O6 Re S -","- C24 H19 Br N3 O6 Re S -","- C96 H76 Br4 N12 O24 Re4 S4 -","4","2","","Álvarez, Celedonio M; García-Escudero, Luis A; García-Rodríguez, Raúl; Miguel, Daniel","Schiff plus click: one-pot preparation of triazole-substituted iminopyridines and ring opening of the triazole ring.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2556","2561","10.1039/c2dt32400h","","","0.71073","MoKα","","0.1708","0.0957","","","0.1634","0.1896","","","","","","1.032","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022344","16.7114","0.0008","14.7773","0.0008","17.634","0.0014","90","","90","","90","","4354.7","0.5","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H20 Cl2 N8 O6 Ru -","- C16 H20 Cl2 N8 O6 Ru -","- C128 H160 Cl16 N64 O48 Ru8 -","8","1","","Agarwala, Hemlata; Ehret, Fabian; Chowdhury, Abhishek Dutta; Maji, Somnath; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Electronic structure and catalytic aspects of [Ru(tpm)(bqdi)(Cl/H2O)]n, tpm = tris(1-pyrazolyl)methane and bqdi = o-benzoquinonediimine.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3721","3734","10.1039/c2dt32402d","","","0.71073","MoKα","","0.0515","0.0404","","","0.1137","0.1194","","","","","","1.077","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022345","15.2839","0.0006","16.3749","0.0008","18.4186","0.0008","90","","90.073","0.004","90","","4609.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl2 N8 O9.5 Ru -","- C16 H19 Cl2 N8 O9.5 Ru -","- C128 H152 Cl16 N64 O76 Ru8 -","8","2","","Agarwala, Hemlata; Ehret, Fabian; Chowdhury, Abhishek Dutta; Maji, Somnath; Mobin, Shaikh M.; Kaim, Wolfgang; Lahiri, Goutam Kumar","Electronic structure and catalytic aspects of [Ru(tpm)(bqdi)(Cl/H2O)]n, tpm = tris(1-pyrazolyl)methane and bqdi = o-benzoquinonediimine.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3721","3734","10.1039/c2dt32402d","","","0.71073","MoKα","","0.074","0.0452","","","0.0922","0.0964","","","","","","0.912","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022346","12.746","0.003","9.222","0.0019","14.522","0.003","90","","103.438","0.004","90","","1660.2","0.6","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H48 S Si8 -","- C16 H48 S Si8 -","- C32 H96 S2 Si16 -","2","0.5","","Xiao, Xu-Qiong; Zhao, Hui; Luo, Jun; Xu, Zheng; Lai, Guo-Qiao; Li, Zhifang","Synthesis and characterization of heterocyclic disilylchalcogenides.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3994","4001","10.1039/c2dt32406g","","","0.71073","MoKα","","0.043","0.0351","","","0.1196","0.1327","","","","","","1.04","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022347","12.8893","0.0006","9.0602","0.0003","14.6504","0.0007","90","","104.483","0.005","90","","1656.5","0.13","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H48 Se Si8 -","- C16 H48 Se Si8 -","- C32 H96 Se2 Si16 -","2","0.5","","Xiao, Xu-Qiong; Zhao, Hui; Luo, Jun; Xu, Zheng; Lai, Guo-Qiao; Li, Zhifang","Synthesis and characterization of heterocyclic disilylchalcogenides.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3994","4001","10.1039/c2dt32406g","","","0.71073","MoKα","","0.0538","0.0365","","","0.0828","0.0923","","","","","","1.044","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022348","12.2346","0.0011","15.2729","0.0013","19.1413","0.0016","90","","103.656","0.002","90","","3475.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H48 Si8 Te2 -","- C16 H48 Si8 Te2 -","- C64 H192 Si32 Te8 -","4","1","","Xiao, Xu-Qiong; Zhao, Hui; Luo, Jun; Xu, Zheng; Lai, Guo-Qiao; Li, Zhifang","Synthesis and characterization of heterocyclic disilylchalcogenides.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3994","4001","10.1039/c2dt32406g","","","0.71073","MoKα","","0.0409","0.0273","","","0.0914","0.1092","","","","","","0.792","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022349","13.101","0.008","8.912","0.005","14.984","0.009","90","","106.666","0.011","90","","1676","1.7","296","2","296","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C16 H48 Si8 Te -","- C16 H48 Si8 Te -","- C32 H96 Si16 Te2 -","2","0.5","","Xiao, Xu-Qiong; Zhao, Hui; Luo, Jun; Xu, Zheng; Lai, Guo-Qiao; Li, Zhifang","Synthesis and characterization of heterocyclic disilylchalcogenides.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3994","4001","10.1039/c2dt32406g","","","0.71073","MoKα","","0.061","0.037","","","0.1204","0.158","","","","","","1.091","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022350","11.788","0.003","8.531","0.002","13.945","0.004","90","","101.17","0.004","90","","1375.8","0.6","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H26 N2 O14 Pd4 -","- C19 H26 N2 O14 Pd4 -","- C38 H52 N4 O28 Pd8 -","2","0.5","","Shishilov, Oleg N.; Akhmadullina, Nailya S.; Rezinkova, Yaroslavna N.; Podobedov, Roman E.; Churakov, Andrei V.; Efimenko, Inessa A.","Reactivity of polynuclear palladium carboxylate complexes towards acetonitrile: synthesis and X-ray study of Pd2(C6H4-o-C(=NH)CH3)2(CH3CO2)2 and Pd5(CH3C(=N)OC(=N)CH3)(NO)(NO2)x(RCO2)7-x.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3712","3720","10.1039/c2dt32407e","","","0.71073","MoKα","","0.0819","0.0564","","","0.1378","0.1477","","","","","","1.037","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022351","13.2473","0.0011","13.4637","0.0011","27.762","0.002","90","","102.764","0.001","90","","4829.2","0.7","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 N2 O14 Pd4 -","- C42 H66 N2 O14 Pd4 -","- C168 H264 N8 O56 Pd16 -","4","1","","Shishilov, Oleg N.; Akhmadullina, Nailya S.; Rezinkova, Yaroslavna N.; Podobedov, Roman E.; Churakov, Andrei V.; Efimenko, Inessa A.","Reactivity of polynuclear palladium carboxylate complexes towards acetonitrile: synthesis and X-ray study of Pd2(C6H4-o-C(=NH)CH3)2(CH3CO2)2 and Pd5(CH3C(=N)OC(=N)CH3)(NO)(NO2)x(RCO2)7-x.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3712","3720","10.1039/c2dt32407e","","","0.71073","MoKα","","0.0358","0.0293","","","0.0687","0.0718","","","","","","1.021","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022352","13.1912","0.0019","20.076","0.003","32.596","0.005","90","","90","","90","","8632","2","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C20 H22 N2 O4 Pd2 -","- C20 H22 N2 O4 Pd2 -","- C320 H352 N32 O64 Pd32 -","16","0.5","","Shishilov, Oleg N.; Akhmadullina, Nailya S.; Rezinkova, Yaroslavna N.; Podobedov, Roman E.; Churakov, Andrei V.; Efimenko, Inessa A.","Reactivity of polynuclear palladium carboxylate complexes towards acetonitrile: synthesis and X-ray study of Pd2(C6H4-o-C(=NH)CH3)2(CH3CO2)2 and Pd5(CH3C(=N)OC(=N)CH3)(NO)(NO2)x(RCO2)7-x.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3712","3720","10.1039/c2dt32407e","","","0.71073","MoKα","","0.0243","0.0204","","","0.0786","0.0821","","","","","","0.971","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022353","40.832","0.006","40.832","0.006","15.26","0.004","90","","90","","120","","22034","7","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C34 H60 N4 O16 Pd5 -","- C34 H60 N4 O16 Pd5 -","- C612 H1080 N72 O288 Pd90 -","18","1","","Shishilov, Oleg N.; Akhmadullina, Nailya S.; Rezinkova, Yaroslavna N.; Podobedov, Roman E.; Churakov, Andrei V.; Efimenko, Inessa A.","Reactivity of polynuclear palladium carboxylate complexes towards acetonitrile: synthesis and X-ray study of Pd2(C6H4-o-C(=NH)CH3)2(CH3CO2)2 and Pd5(CH3C(=N)OC(=N)CH3)(NO)(NO2)x(RCO2)7-x.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3712","3720","10.1039/c2dt32407e","","","0.71073","MoKα","","0.161","0.0614","","","0.1213","0.1443","","","","","","0.857","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022354","43.61","0.04","9.37","0.009","30.03","0.03","90","","97.504","0.016","90","","12166","2","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H82 N3 O16 Pd5 -","- C53 H82 N3 O16 Pd5 -","- C424 H656 N24 O128 Pd40 -","8","1","","Shishilov, Oleg N.; Akhmadullina, Nailya S.; Rezinkova, Yaroslavna N.; Podobedov, Roman E.; Churakov, Andrei V.; Efimenko, Inessa A.","Reactivity of polynuclear palladium carboxylate complexes towards acetonitrile: synthesis and X-ray study of Pd2(C6H4-o-C(=NH)CH3)2(CH3CO2)2 and Pd5(CH3C(=N)OC(=N)CH3)(NO)(NO2)x(RCO2)7-x.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3712","3720","10.1039/c2dt32407e","","","0.71073","MoKα","","0.0732","0.0507","","","0.1377","0.1495","","","","","","0.956","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022355","16.7831","0.0018","43.41","0.005","12.1583","0.0013","90","","93.688","0.002","90","","8839.6","1.7","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H24 Cd3 N3 O25 P3 -","- C42 H24 Cd3 N3 O25 P3 -","- C168 H96 Cd12 N12 O100 P12 -","4","1","","Li, Bao; Dai, Xiaomei; Meng, Xianggao; Zhang, Tianle; Liu, Chengmei; Yu, Kaichao","Temperature-controlled synthesis and luminescent properties of two novel coordination polymers modeled by hexa-carboxylate ligand derived from cyclotriphosphazene.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2588","2593","10.1039/c2dt32431h","","","0.71073","MoKα","","0.1425","0.1117","","","0.2999","0.3231","","","","","","1.069","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022356","17.3867","0.0004","17.3867","0.0004","11.3455","0.0008","90","","90","","120","","2970.2","0.2","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C42 H24 Cd2 N3 O20 P3 -","- C42 H24 Cd2 N3.15 O20 P2.85 -","- C84 H48 Cd4 N6.3 O40 P5.7 -","2","0.166667","","Li, Bao; Dai, Xiaomei; Meng, Xianggao; Zhang, Tianle; Liu, Chengmei; Yu, Kaichao","Temperature-controlled synthesis and luminescent properties of two novel coordination polymers modeled by hexa-carboxylate ligand derived from cyclotriphosphazene.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2588","2593","10.1039/c2dt32431h","","","0.71073","MoKα","","0.1204","0.08","","","0.2596","0.2932","","","","","","0.975","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022357","7.5358","0.0002","10.7021","0.0002","16.7625","0.0003","90","","90","","90","","1351.88","0.05","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N -","- C14 H25 N -","- C56 H100 N4 -","4","1","","Kreye, Markus; Glöckner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias; Walter, Marc D.","Sterically encumbered pyrrolyl ligands and their incorporation into the cycloheptatrienyl zirconium coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2192","2200","10.1039/c2dt32433d","","","1.54184","CuKα","","0.0315","0.0314","","","0.0832","0.0833","","","","","","1.087","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022358","9.8304","0.0002","17.5251","0.0004","16.598","0.0003","90","","90.083","0.002","90","","2859.48","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H48 K N O6 -","- C26 H48 K N O6 -","- C104 H192 K4 N4 O24 -","4","1","","Kreye, Markus; Glöckner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias; Walter, Marc D.","Sterically encumbered pyrrolyl ligands and their incorporation into the cycloheptatrienyl zirconium coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2192","2200","10.1039/c2dt32433d","","","0.71073","MoKα","","0.0447","0.0344","","","0.0751","0.0793","","","","","","1.015","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022359","6.4001","0.0002","29.9375","0.0012","9.392","0.0004","90","","103.842","0.004","90","","1747.28","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N Zr -","- C19 H27 N Zr -","- C76 H108 N4 Zr4 -","4","1","","Kreye, Markus; Glöckner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias; Walter, Marc D.","Sterically encumbered pyrrolyl ligands and their incorporation into the cycloheptatrienyl zirconium coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2192","2200","10.1039/c2dt32433d","","","1.54184","CuKα","","0.0468","0.0344","","","0.0673","0.0718","","","","","","1.044","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022360","9.5908","0.0003","13.947","0.0004","14.3385","0.0003","90","","90","","90","","1917.96","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N Zr -","- C21 H31 N Zr -","- C84 H124 N4 Zr4 -","4","1","","Kreye, Markus; Glöckner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias; Walter, Marc D.","Sterically encumbered pyrrolyl ligands and their incorporation into the cycloheptatrienyl zirconium coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2192","2200","10.1039/c2dt32433d","","","0.71073","MoKα","","0.0305","0.0246","","","0.0446","0.0461","","","","","","1.058","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022361","9.3606","0.0002","25.441","0.0004","9.9949","0.0003","90","","116.929","0.003","90","","2122.13","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 N2 Zr -","- C22 H34 N2 Zr -","- C88 H136 N8 Zr4 -","4","1","","Kreye, Markus; Glöckner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias; Walter, Marc D.","Sterically encumbered pyrrolyl ligands and their incorporation into the cycloheptatrienyl zirconium coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2192","2200","10.1039/c2dt32433d","","","0.71073","MoKα","","0.0274","0.0229","","","0.0491","0.0507","","","","","","1.086","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022362","8.7383","0.0008","9.5314","0.0008","9.757","0.0008","81.31","0.007","63.418","0.008","82.113","0.007","716.17","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H25 N O2 -","- C14 H25 N O2 -","- C28 H50 N2 O4 -","2","1","","Kreye, Markus; Glöckner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias; Walter, Marc D.","Sterically encumbered pyrrolyl ligands and their incorporation into the cycloheptatrienyl zirconium coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2192","2200","10.1039/c2dt32433d","","","1.54184","CuKα","","0.0406","0.0384","","","0.1031","0.1052","","","","","","1.033","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022363","20.6834","0.0004","17.2623","0.0002","11.8317","0.0002","90","","110.377","0.002","90","","3960.07","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H52 Li N3 -","- C48 H52 Li N3 -","- C192 H208 Li4 N12 -","4","0.5","","Kreye, Markus; Glöckner, Andreas; Daniliuc, Constantin G.; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias; Walter, Marc D.","Sterically encumbered pyrrolyl ligands and their incorporation into the cycloheptatrienyl zirconium coordination sphere.","Dalton transactions (Cambridge, England : 2003)","2013","42","6","2192","2200","10.1039/c2dt32433d","","","1.54184","CuKα","","0.054","0.0504","","","0.1309","0.1341","","","","","","1.063","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022364","12.6018","0.0015","11.4459","0.0014","13.9239","0.0017","90","","111.159","0.002","90","","1873","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O2 Pt -","- C22 H19 N O2 Pt -","- C88 H76 N4 O8 Pt4 -","4","1","","Li, Chunxiang; Wang, Shuqin; Huang, Yangmei; Zheng, Bin; Tian, Ziqi; Wen, Yonghong; Li, Feng","Synthesis, characterization and electrochemiluminescent properties of cyclometalated platinum(II) complexes with substituted 2-phenylpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","4059","4067","10.1039/c2dt32466k","","","0.71073","MoKα","","0.0654","0.0458","","","0.105","0.1087","","","","","","1.061","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022365","33.5538","0.0005","33.5538","0.0005","15.3505","0.0003","90","","90","","120","","14967.1","0.4","125","2","125","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27 H16 Co F4 N5 O6 -","- C27 H16 Co F4 N5 O6 -","- C486 H288 Co18 F72 N90 O108 -","18","1","","Zhang, Shi-Yuan; Shi, Wei; Ma, Jian-Gong; Zhang, Yu-Qi; Zhang, Zhen-Jie; Cheng, Peng","Hydrothermal synthesis of an ortho-metallated Co(III) complex anchored by a carboxylate group with a selective oxidation catalytic property.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4313","4318","10.1039/c2dt32468g","","","0.71073","MoKα","","0.0545","0.0454","","","0.1444","0.1498","","","","","","1.112","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022366","7.0887","0.0019","10.429","0.003","12.489","0.003","82.747","0.015","76.544","0.017","76.196","0.01","869.6","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H24 Co2 F8 N4 O12 -","- C36 H24 Co2 F8 N4 O12 -","- C36 H24 Co2 F8 N4 O12 -","1","0.5","","Zhang, Shi-Yuan; Shi, Wei; Ma, Jian-Gong; Zhang, Yu-Qi; Zhang, Zhen-Jie; Cheng, Peng","Hydrothermal synthesis of an ortho-metallated Co(III) complex anchored by a carboxylate group with a selective oxidation catalytic property.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4313","4318","10.1039/c2dt32468g","","","0.71073","MoKα","","0.0276","0.0247","","","0.0664","0.067","","","","","","1.047","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022367","20.188","0.0003","20.188","0.0003","21.5726","0.0007","90","","90","","90","","8792","0.3","100","2","100","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C164 H190 Cl12 Fe8 O37 -","- C164 H190 Cl12 Fe8 O37 -","- C328 H380 Cl24 Fe16 O74 -","2","0.25","","Abdulwahab, Khadijat; Malik, Mohammad A.; O'Brien, Paul; Govender, Kuveshni; Muryn, Christopher A.; Timco, Grigore A.; Tuna, Floriana; Winpenny, Richard E. P.","Synthesis of monodispersed magnetite nanoparticles from iron pivalate clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","1","196","206","10.1039/c2dt32478d","","","0.71073","MoKα","","0.0926","0.0564","","","0.1481","0.1685","","","","","","1.101","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022368","40.026","0.006","40.026","0.006","40.026","0.006","90","","90","","90","","64125","17","110","2","110","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C36 H24 Cu2 N2 O12 -","- C36 H18 Cu2 N2 O12 -","- C864 H432 Cu48 N48 O288 -","24","0.125","","Lu, Weigang; Yuan, Daqiang; Makal, Trevor A.; Wei, Zhangwen; Li, Jian-Rong; Zhou, Hong-Cai","Highly porous metal-organic framework sustained with 12-connected nanoscopic octahedra.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1708","1714","10.1039/c2dt32479b","","","0.40663","synchrotron","","0.1479","0.1254","","","0.3149","0.3269","","","","","","1.229","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022369","39.484","0.0016","39.484","0.0016","39.484","0.0016","90","","90","","90","","61555","4","173","2","173","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C34 H20 Cu2 N2 O10 -","- C34 H16 Cu2 N2 O10 -","- C816 H384 Cu48 N48 O240 -","24","1","","Lu, Weigang; Yuan, Daqiang; Makal, Trevor A.; Wei, Zhangwen; Li, Jian-Rong; Zhou, Hong-Cai","Highly porous metal-organic framework sustained with 12-connected nanoscopic octahedra.","Dalton transactions (Cambridge, England : 2003)","2013","42","5","1708","1714","10.1039/c2dt32479b","","","0.41328","synchrotron","","0.1382","0.1125","","","0.2983","0.3161","","","","","","1.236","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022370","17.985","0.006","10.573","0.004","18.103","0.006","90","","114.717","0.019","90","","3127","1.9","89","2","89","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 N12 Ni -","- C32 H34 N12 Ni -","- C128 H136 N48 Ni4 -","4","0.5","","McMorran, David A.; McAdam, C. John; van der Salm, Holly; Gordon, Keith C.","1,5-Diarylbiguanides and their nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2948","2962","10.1039/c2dt32483k","","","0.71073","MoKα","","0.0511","0.0361","","","0.0804","0.087","","","","","","1.05","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022371","7.936","0.0009","8.576","0.001","17.863","0.002","93.507","0.004","90.073","0.004","111.697","0.004","1127.1","0.2","89","2","89","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H46 B2 F8 N10 Ni O9 -","- C39 H46 B2 F8 N10 Ni O9 -","- C39 H46 B2 F8 N10 Ni O9 -","1","0.5","","McMorran, David A.; McAdam, C. John; van der Salm, Holly; Gordon, Keith C.","1,5-Diarylbiguanides and their nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2948","2962","10.1039/c2dt32483k","","","0.71073","MoKα","","0.0777","0.0599","","","0.1629","0.1811","","","","","","1.062","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022372","8.961","0.002","10.019","0.002","10.989","0.002","75.65","0.011","75.016","0.011","80.808","0.013","918.5","0.3","89","2","89","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H23 N5 O4 -","- C18 H23 N5 O4 -","- C36 H46 N10 O8 -","2","1","","McMorran, David A.; McAdam, C. John; van der Salm, Holly; Gordon, Keith C.","1,5-Diarylbiguanides and their nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2948","2962","10.1039/c2dt32483k","","","0.71073","MoKα","","0.0658","0.0433","","","0.1092","0.1195","","","","","","1.061","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022373","8.701","0.005","11.84","0.005","13.424","0.005","92.325","0.005","104.102","0.005","110.911","0.005","1240.4","1","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H68 N10 Ni O4 S4 -","- C44 H68 N10 Ni O4 S4 -","- C44 H68 N10 Ni O4 S4 -","1","0.5","","McMorran, David A.; McAdam, C. John; van der Salm, Holly; Gordon, Keith C.","1,5-Diarylbiguanides and their nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2948","2962","10.1039/c2dt32483k","","","0.71069","MoKα","","0.0548","0.0409","","","0.1037","0.1109","","","","","","1.055","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022374","8.059","0.005","8.919","0.005","16.632","0.005","101.045","0.005","101.543","0.005","98.542","0.005","1127.7","1","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H52 Cl2 N12 Ni O8 -","- C40 H52 Cl2 N12 Ni O8 -","- C40 H52 Cl2 N12 Ni O8 -","1","0.5","","McMorran, David A.; McAdam, C. John; van der Salm, Holly; Gordon, Keith C.","1,5-Diarylbiguanides and their nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2948","2962","10.1039/c2dt32483k","","","0.71069","MoKα","","0.0456","0.0367","","","0.0929","0.098","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022375","6.351","0.005","8.876","0.005","26.832","0.005","90","0.005","90","0.005","90","0.005","1512.6","1.5","89","2","89","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br2 N5 -","- C14 H13 Br2 N5 -","- C56 H52 Br8 N20 -","4","1","","McMorran, David A.; McAdam, C. John; van der Salm, Holly; Gordon, Keith C.","1,5-Diarylbiguanides and their nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2948","2962","10.1039/c2dt32483k","","","0.71069","MoKα","","0.0414","0.0303","","","0.061","0.0635","","","","","","1.029","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022376","7.3986","0.0003","14.543","0.0008","14.5749","0.0012","116.861","0.004","96.539","0.004","98.148","0.003","1356.5","0.16","92","2","92","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 N12 Ni O12 -","- C60 H58 N12 Ni O12 -","- C60 H58 N12 Ni O12 -","1","0.5","","McMorran, David A.; McAdam, C. John; van der Salm, Holly; Gordon, Keith C.","1,5-Diarylbiguanides and their nickel(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2948","2962","10.1039/c2dt32483k","","","0.71073","MoKα","","0.0482","0.0362","","","0.0806","0.0872","","","","","","1.037","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022377","7.5685","0.0014","12.324","0.0015","12.9455","0.0019","114.478","0.008","96.294","0.008","98.286","0.013","1068.1","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 N6 O2 Zn -","- C20 H20 Cl2 N6 O2 Zn -","- C40 H40 Cl4 N12 O4 Zn2 -","2","1","","Molenbroek, Elwin; Straathof, Natan; Dück, Sebastian; Rashid, Zahid; van Lenthe, Joop H.; Lutz, Martin; Gandubert, Aurore; Klein Gebbink, Robertus J. M.; De Cola, Luisa; Bonnet, Sylvestre","Zinc coordination to the bapbpy ligand in homogeneous solutions and at liposomes: zinc detection via fluorescence enhancement.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2973","2984","10.1039/c2dt32488a","","","0.71073","MoKα","","0.0618","0.0431","","","0.0977","0.1064","","","","","","1.044","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022378","14.302","0.006","12.633","0.006","20.722","0.009","90","","109.21","0.007","90","","3536","3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Br N2 Sb -","- C38 H44 Br N2 Sb -","- C152 H176 Br4 N8 Sb4 -","4","1","","Preda, Ana Maria; Raţ, Ciprian I; Silvestru, Cristian; Breunig, Hans J.; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Organoantimony(III) compounds containing (imino)aryl ligands of the type 2-(RN=CH)C6H4 (R = 2',4',6'-Me3C6H2, 2',6'-(i)Pr2C6H3): bromides and chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1144","1158","10.1039/c2dt32494f","","","0.71073","MoKα","","0.0811","0.0559","","","0.116","0.1256","","","","","","1.074","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022379","30.526","0.0015","10.5847","0.0004","22.4533","0.0013","90","","109.267","0.006","90","","6848.5","0.6","110","","110","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H88 N4 S Sb2 -","- C76 H88 N4 S Sb2 -","- C304 H352 N16 S4 Sb8 -","4","0.5","","Preda, Ana Maria; Raţ, Ciprian I; Silvestru, Cristian; Breunig, Hans J.; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Organoantimony(III) compounds containing (imino)aryl ligands of the type 2-(RN=CH)C6H4 (R = 2',4',6'-Me3C6H2, 2',6'-(i)Pr2C6H3): bromides and chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1144","1158","10.1039/c2dt32494f","","","0.71073","MoKα","","0.0368","0.0251","","","0.0583","0.0598","","","","","","0.929","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022380","13.5259","0.0004","16.2912","0.0006","9.704","0.0004","90","","101.131","0.004","90","","2098.08","0.13","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Br2 Cl3 N Sb -","- C17 H17 Br2 Cl3 N Sb -","- C68 H68 Br8 Cl12 N4 Sb4 -","4","1","","Preda, Ana Maria; Raţ, Ciprian I; Silvestru, Cristian; Breunig, Hans J.; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Organoantimony(III) compounds containing (imino)aryl ligands of the type 2-(RN=CH)C6H4 (R = 2',4',6'-Me3C6H2, 2',6'-(i)Pr2C6H3): bromides and chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1144","1158","10.1039/c2dt32494f","","","0.71073","MoKα","","0.0364","0.0266","","","0.0611","0.0622","","","","","","0.977","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022381","17.248","0.003","12.0752","0.0009","18.737","0.004","90","","90","","90","","3902.4","1.1","110","","110","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H22 Br2 N Sb -","- C19 H22 Br2 N Sb -","- C152 H176 Br16 N8 Sb8 -","8","1","","Preda, Ana Maria; Raţ, Ciprian I; Silvestru, Cristian; Breunig, Hans J.; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Organoantimony(III) compounds containing (imino)aryl ligands of the type 2-(RN=CH)C6H4 (R = 2',4',6'-Me3C6H2, 2',6'-(i)Pr2C6H3): bromides and chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1144","1158","10.1039/c2dt32494f","","","0.71073","MoKα","","0.0386","0.0238","","","0.051","0.0525","","","","","","0.951","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022382","8.5344","0.0011","9.2918","0.0012","11.0273","0.0014","98.849","0.002","102.661","0.002","96.506","0.002","833.18","0.19","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H32 Cl2 N2 S2 Sb2 -","- C33 H32 Cl2 N2 S2 Sb2 -","- C33 H32 Cl2 N2 S2 Sb2 -","1","0.5","","Preda, Ana Maria; Raţ, Ciprian I; Silvestru, Cristian; Breunig, Hans J.; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Organoantimony(III) compounds containing (imino)aryl ligands of the type 2-(RN=CH)C6H4 (R = 2',4',6'-Me3C6H2, 2',6'-(i)Pr2C6H3): bromides and chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1144","1158","10.1039/c2dt32494f","","","0.71073","MoKα","","0.0289","0.0262","","","0.0627","0.0641","","","","","","1.099","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022383","9.1241","0.0006","13.9854","0.0009","14.3083","0.0009","90","","92.451","0.006","90","","1824.1","0.2","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 N2 S2 Sb2 -","- C38 H44 N2 S2 Sb2 -","- C76 H88 N4 S4 Sb4 -","2","0.5","","Preda, Ana Maria; Raţ, Ciprian I; Silvestru, Cristian; Breunig, Hans J.; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Organoantimony(III) compounds containing (imino)aryl ligands of the type 2-(RN=CH)C6H4 (R = 2',4',6'-Me3C6H2, 2',6'-(i)Pr2C6H3): bromides and chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1144","1158","10.1039/c2dt32494f","","","0.71073","MoKα","","0.0497","0.0295","","","0.0608","0.0626","","","","","","0.872","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022384","12.2021","0.0005","14.1285","0.0005","14.3583","0.0005","82.67","0.003","74.98","0.003","69.615","0.003","2239.13","0.15","110","","110","","","","","","","","","7","P -1","-P 1","2","","","","- C43.25 H45 N2 O5.25 S2 Sb2 W -","- C43.25 H45 N2 O5.25 S2 Sb2 W -","- C86.5 H90 N4 O10.5 S4 Sb4 W2 -","2","1","","Preda, Ana Maria; Raţ, Ciprian I; Silvestru, Cristian; Breunig, Hans J.; Lang, Heinrich; Rüffer, Tobias; Mehring, Michael","Organoantimony(III) compounds containing (imino)aryl ligands of the type 2-(RN=CH)C6H4 (R = 2',4',6'-Me3C6H2, 2',6'-(i)Pr2C6H3): bromides and chalcogenides.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1144","1158","10.1039/c2dt32494f","","","0.71073","MoKα","","0.0353","0.0233","","","0.0437","0.0447","","","","","","0.918","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022385","9.8402","0.0006","10.5972","0.0006","11.2157","0.0007","90","","116.814","0.001","90","","1043.8","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 N5 -","- C10 H13 N5 -","- C40 H52 N20 -","4","1","","Mosalkova, Anastasiya P.; Voitekhovich, Sergei V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Lach, Jochen; Kersting, Berthold; Gaponik, Pavel N.; Ivashkevich, Oleg A.","2-tert-Butyl-5-(2-pyridyl)-2H-tetrazole as a chelating ligand in the direct synthesis of novel Cu(II) and heterobimetallic Cu(II)/Mn(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2985","2997","10.1039/c2dt32512h","","","0.71073","MoKα","","0.0428","0.0359","","","0.0905","0.0959","","","","","","1.012","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022386","10.2378","0.0008","8.6284","0.0007","14.6102","0.0012","90","","110.126","0.001","90","","1211.8","0.17","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H26 Cl2 Cu N10 -","- C20 H26 Cl2 Cu N10 -","- C40 H52 Cl4 Cu2 N20 -","2","1","","Mosalkova, Anastasiya P.; Voitekhovich, Sergei V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Lach, Jochen; Kersting, Berthold; Gaponik, Pavel N.; Ivashkevich, Oleg A.","2-tert-Butyl-5-(2-pyridyl)-2H-tetrazole as a chelating ligand in the direct synthesis of novel Cu(II) and heterobimetallic Cu(II)/Mn(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2985","2997","10.1039/c2dt32512h","","","0.71073","MoKα","","0.0328","0.0314","","","0.0848","0.086","","","","","","1.035","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022387","10.2627","0.0004","9.3012","0.0004","15.2346","0.0008","90","","109.877","0.001","90","","1367.59","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cu N12 S2 -","- C22 H26 Cu N12 S2 -","- C44 H52 Cu2 N24 S4 -","2","0.5","","Mosalkova, Anastasiya P.; Voitekhovich, Sergei V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Lach, Jochen; Kersting, Berthold; Gaponik, Pavel N.; Ivashkevich, Oleg A.","2-tert-Butyl-5-(2-pyridyl)-2H-tetrazole as a chelating ligand in the direct synthesis of novel Cu(II) and heterobimetallic Cu(II)/Mn(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2985","2997","10.1039/c2dt32512h","","","0.71073","MoKα","","0.0246","0.023","","","0.0655","0.0667","","","","","","1.01","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022388","26.51","0.002","6.9403","0.0006","15.2164","0.0013","90","","95.384","0.002","90","","2787.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H28 Cl2 Cu N10 O9 -","- C20 H28 Cl2 Cu N10 O9 -","- C80 H112 Cl8 Cu4 N40 O36 -","4","0.5","","Mosalkova, Anastasiya P.; Voitekhovich, Sergei V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Lach, Jochen; Kersting, Berthold; Gaponik, Pavel N.; Ivashkevich, Oleg A.","2-tert-Butyl-5-(2-pyridyl)-2H-tetrazole as a chelating ligand in the direct synthesis of novel Cu(II) and heterobimetallic Cu(II)/Mn(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2985","2997","10.1039/c2dt32512h","","","0.71073","MoKα","","0.0583","0.0345","","","0.0764","0.0851","","","","","","1.014","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022389","8.5655","0.0004","9.9404","0.0005","12.7777","0.0007","81.761","0.002","75.09","0.002","70.822","0.002","990.91","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 Cu2 Mn N10 O12 -","- C32 H44 Cu2 Mn N10 O12 -","- C32 H44 Cu2 Mn N10 O12 -","1","0.5","","Mosalkova, Anastasiya P.; Voitekhovich, Sergei V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Lach, Jochen; Kersting, Berthold; Gaponik, Pavel N.; Ivashkevich, Oleg A.","2-tert-Butyl-5-(2-pyridyl)-2H-tetrazole as a chelating ligand in the direct synthesis of novel Cu(II) and heterobimetallic Cu(II)/Mn(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2985","2997","10.1039/c2dt32512h","","","0.71073","MoKα","","0.029","0.0233","","","0.0571","0.0605","","","","","","0.999","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022390","8.3404","0.0001","8.6311","0.0001","17.2045","0.0002","93.778","0.001","93.076","0.001","98.733","0.001","1218.93","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H56 Cu2 Mn N10 O14 S2 -","- C36 H56 Cu2 Mn N10 O14 S2 -","- C36 H56 Cu2 Mn N10 O14 S2 -","1","0.5","","Mosalkova, Anastasiya P.; Voitekhovich, Sergei V.; Lyakhov, Alexander S.; Ivashkevich, Ludmila S.; Lach, Jochen; Kersting, Berthold; Gaponik, Pavel N.; Ivashkevich, Oleg A.","2-tert-Butyl-5-(2-pyridyl)-2H-tetrazole as a chelating ligand in the direct synthesis of novel Cu(II) and heterobimetallic Cu(II)/Mn(II) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2985","2997","10.1039/c2dt32512h","","","0.71073","MoKα","","0.0232","0.0217","","","0.0603","0.0613","","","","","","1.02","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022391","11.021","0.0014","20.302","0.003","22.096","0.003","90","","103.906","0.002","90","","4799","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H72 Cl Er Li2 N6 O -","- C43 H72 Cl Er Li2 N6 O -","- C172 H288 Cl4 Er4 Li8 N24 O4 -","4","1","","Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun","Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2861","2869","10.1039/c2dt32513f","","","0.71073","MoKα","","0.0488","0.0368","","","0.0967","0.104","","","","","","1.008","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022392","9.2007","0.0012","9.3829","0.0012","19.864","0.003","88.008","0.002","84.805","0.002","85.998","0.002","1702.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 N5 Si2 Y -","- C24 H44 N5 Si2 Y -","- C48 H88 N10 Si4 Y2 -","2","1","","Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun","Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2861","2869","10.1039/c2dt32513f","","","0.71073","MoKα","","0.1099","0.051","","","0.128","0.1429","","","","","","0.968","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022393","9.2378","0.0009","9.3434","0.0009","19.929","0.002","87.888","0.001","84.672","0.001","86.254","0.001","1708.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 Dy N5 Si2 -","- C24 H44 Dy N5 Si2 -","- C48 H88 Dy2 N10 Si4 -","2","1","","Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun","Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2861","2869","10.1039/c2dt32513f","","","0.71073","MoKα","","0.0333","0.029","","","0.0851","0.0873","","","","","","0.955","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022394","9.2342","0.0009","9.3375","0.0009","19.846","0.002","86.925","0.001","84.624","0.001","85.85","0.001","1697.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 N5 Si2 Yb -","- C24 H44 N5 Si2 Yb -","- C48 H88 N10 Si4 Yb2 -","2","1","","Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun","Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2861","2869","10.1039/c2dt32513f","","","0.71073","MoKα","","0.028","0.0247","","","0.0651","0.0664","","","","","","1.066","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022395","9.2289","0.0011","9.3704","0.0011","20.064","0.002","87.876","0.001","84.74","0.001","86.293","0.001","1723.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 Eu N5 Si2 -","- C24 H44 Eu N5 Si2 -","- C48 H88 Eu2 N10 Si4 -","2","1","","Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun","Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2861","2869","10.1039/c2dt32513f","","","0.71073","MoKα","","0.0638","0.0383","","","0.0879","0.0962","","","","","","1.037","","","","has coordinates,has disorder","179928","2020-10-21","18:00:00",""
"7022396","16.3948","0.0015","16.9374","0.0015","13.8194","0.0012","90","","99.052","0.001","90","","3789.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H60 N5 Si2 Y -","- C32 H60 N5 Si2 Y -","- C128 H240 N20 Si8 Y4 -","4","0.5","","Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun","Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2861","2869","10.1039/c2dt32513f","","","0.71073","MoKα","","0.0482","0.0342","","","0.0802","0.087","","","","","","1.017","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022397","16.4062","0.0018","16.8967","0.0019","13.8325","0.0016","90","","99.527","0.001","90","","3781.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H60 Dy N5 Si2 -","- C32 H60 Dy N5 Si2 -","- C128 H240 Dy4 N20 Si8 -","4","0.5","","Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun","Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2861","2869","10.1039/c2dt32513f","","","0.71073","MoKα","","0.0221","0.0197","","","0.0492","0.0511","","","","","","1.049","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022398","16.3623","0.0012","16.8981","0.0013","13.8066","0.001","90","","99.076","0.001","90","","3769.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H60 Er N5 Si2 -","- C32 H60 Er N5 Si2 -","- C128 H240 Er4 N20 Si8 -","4","0.5","","Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun","Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2861","2869","10.1039/c2dt32513f","","","0.71073","MoKα","","0.0324","0.0251","","","0.0549","0.0583","","","","","","1.029","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022399","10.82","0.0009","13.6124","0.0012","14.8062","0.0013","90","","90.278","0.001","90","","2180.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H66 Li4 N6 Si4 -","- C30 H66 Li4 N6 Si4 -","- C60 H132 Li8 N12 Si8 -","2","0.5","","Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun","Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2861","2869","10.1039/c2dt32513f","","","0.71073","MoKα","","0.1044","0.0512","","","0.1265","0.1537","","","","","","1.002","","","","has coordinates","179928","2020-10-21","18:00:00",""
"7022400","26.619","0.005","12.344","0.003","17.358","0.004","90","","103.536","0.002","90","","5545","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H80 N6 Nd2 Si4 -","- C46 H80 N6 Nd2 Si4 -","- C184 H320 N24 Nd8 Si16 -","4","0.5","","Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun","Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2861","2869","10.1039/c2dt32513f","","","0.71073","MoKα","","0.0641","0.0396","","","0.0911","0.1167","","","","","","1.107","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022401","26.5814","0.0013","12.3473","0.0006","17.355","0.0009","90","","103.621","0.001","90","","5535.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H80 N6 Si4 Sm2 -","- C46 H80 N6 Si4 Sm2 -","- C184 H320 N24 Si16 Sm8 -","4","0.5","","Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun","Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2861","2869","10.1039/c2dt32513f","","","0.71073","MoKα","","0.0305","0.0231","","","0.0544","0.0588","","","","","","1.025","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022402","22.377","0.005","19.276","0.004","12.747","0.003","90","","101.327","0.003","90","","5391","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H80 Er2 N6 Si4 -","- C46 H80 Er2 N6 Si4 -","- C184 H320 Er8 N24 Si16 -","4","1","","Li, Qinghai; Zhou, Shuangliu; Wang, Shaowu; Zhu, Xiancui; Zhang, Lijun; Feng, Zhijun; Guo, Liping; Wang, Fenhua; Wei, Yun","Dehydrogenation of secondary amines: synthesis, and characterization of rare-earth metal complexes incorporating imino- or amido-functionalized pyrrolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2861","2869","10.1039/c2dt32513f","","","0.71073","MoKα","","0.0768","0.0443","","","0.0992","0.1162","","","","","","1.037","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022403","12.7855","0.0002","14.3992","0.0002","19.3354","0.0013","90","","107.044","0.008","90","","3403.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H24 Cl3 Ir N4 O -","- C42 H24 Cl3 Ir N4 O -","- C168 H96 Cl12 Ir4 N16 O4 -","4","1","","Bura, Thomas; Retailleau, Pascal; Indelli, Maria Teresa; Ziessel, Raymond","Synthesis and properties of phosphorescent iridium(III) complexes of delocalized ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4544","4551","10.1039/c2dt32538a","","","1.54187","CuKα","","0.0416","0.0347","","","0.085","0.0906","","","","","","1.088","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022404","18.9947","0.001","21.838","0.0012","20.7195","0.0011","90","","110.143","0.002","90","","8068.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu(bedmpza)(N3)2]2.2(ClO4)","","","- C28 H46 Cl2 Cu2 N16 O8 -","- C28 H46 Cl2 Cu2 N16 O8 -","- C224 H368 Cl16 Cu16 N128 O64 -","8","2","","Massoud, Salah S.; Louka, Febee R.; Obaid, Yasser K.; Vicente, Ramon; Ribas, Joan; Fischer, Roland C.; Mautner, Franz A.","Metal ions directing the geometry and nuclearity of azido-metal(II) complexes derived from bis(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3968","3978","10.1039/c2dt32540c","","","0.71073","MoKα","","0.0512","0.0391","","","0.0957","0.1073","","","","","","1.069","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022405","21.732","0.003","10.561","0.0013","15.831","0.002","90","","92.25","0.02","90","","3630.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Ni(dedmpza)(N3)2]2.3/2H2O)","","","- C56 H98 N44 Ni4 O3 -","- C56 H98 N44 Ni4 O3 -","- C112 H196 N88 Ni8 O6 -","2","0.25","","Massoud, Salah S.; Louka, Febee R.; Obaid, Yasser K.; Vicente, Ramon; Ribas, Joan; Fischer, Roland C.; Mautner, Franz A.","Metal ions directing the geometry and nuclearity of azido-metal(II) complexes derived from bis(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3968","3978","10.1039/c2dt32540c","","","0.71073","MoKα","","0.0639","0.0575","","","0.1377","0.1416","","","","","","1.062","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022406","9.9378","0.0004","15.7877","0.0007","12.2822","0.0005","90","","111.868","0.001","90","","1788.36","0.13","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Co(bedmpza)(N3)2]","","","- C14 H23 Co N11 -","- C14 H23 Co N11 -","- C56 H92 Co4 N44 -","4","1","","Massoud, Salah S.; Louka, Febee R.; Obaid, Yasser K.; Vicente, Ramon; Ribas, Joan; Fischer, Roland C.; Mautner, Franz A.","Metal ions directing the geometry and nuclearity of azido-metal(II) complexes derived from bis(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3968","3978","10.1039/c2dt32540c","","","0.71073","MoKα","","0.0278","0.0248","","","0.0645","0.0667","","","","","","1.11","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022407","7.1519","0.0012","11.105","0.0013","12.5115","0.0014","96.8","0.02","93.16","0.02","99.02","0.02","971.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[Zn(bedmpza)(N3)]ClO4","","","- C14 H23 Cl N8 O4 Zn -","- C14 H23 Cl N8 O4 Zn -","- C28 H46 Cl2 N16 O8 Zn2 -","2","1","","Massoud, Salah S.; Louka, Febee R.; Obaid, Yasser K.; Vicente, Ramon; Ribas, Joan; Fischer, Roland C.; Mautner, Franz A.","Metal ions directing the geometry and nuclearity of azido-metal(II) complexes derived from bis(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3968","3978","10.1039/c2dt32540c","","","0.71073","MoKα","","0.0563","0.049","","","0.1178","0.1211","","","","","","1.091","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022408","22.748","0.002","10.5845","0.0011","16.2644","0.0013","90","","95.56","0.02","90","","3897.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cd(bedmpza)(N3)2]2.3/2H2O","","","- C56 H98 Cd4 N44 O3 -","- C56 H98 Cd4 N44 O3 -","- C112 H196 Cd8 N88 O6 -","2","0.25","","Massoud, Salah S.; Louka, Febee R.; Obaid, Yasser K.; Vicente, Ramon; Ribas, Joan; Fischer, Roland C.; Mautner, Franz A.","Metal ions directing the geometry and nuclearity of azido-metal(II) complexes derived from bis(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)amine.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3968","3978","10.1039/c2dt32540c","","","0.71073","MoKα","","0.0298","0.0282","","","0.0687","0.0696","","","","","","1.053","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022409","10.2958","0.0006","15.7476","0.001","17.9889","0.0011","93.607","0.002","97.2395","0.0017","90.1366","0.0019","2887.5","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H48 N Ni O14 S10 -","- C51 H48 N Ni O14 S10 -","- C102 H96 N2 Ni2 O28 S20 -","2","1","","Liu, Zun-qi; Kubo, Kazuya; Lin, Li; Hoshino, Norihisa; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Molecular motion in pyridazinium/crown ether supramolecular cation salts of a nickel dithiolene complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2930","2939","10.1039/c2dt32542j","","","0.71075","MoKα","","0.0666","0.0574","","","0.1534","0.1657","","","","","","1.071","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022410","10.1033","0.0003","15.7356","0.0007","17.8817","0.0006","86.1276","0.0016","83.8303","0.001","89.2463","0.0015","2819.89","0.18","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H48 N Ni O14 S10 -","- C51 H48 N Ni O14 S10 -","- C102 H96 N2 Ni2 O28 S20 -","2","1","","Liu, Zun-qi; Kubo, Kazuya; Lin, Li; Hoshino, Norihisa; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Molecular motion in pyridazinium/crown ether supramolecular cation salts of a nickel dithiolene complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2930","2939","10.1039/c2dt32542j","","","0.71075","MoKα","","0.0435","0.0408","","","0.1126","0.115","","","","","","1.036","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022411","12.5975","0.0008","13.2469","0.001","13.566","0.0008","67.251","0.002","81.311","0.002","78.049","0.002","2036.2","0.2","300","","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H36 N Ni O6 S10 -","- C31 H36 N Ni O6 S10 -","- C62 H72 N2 Ni2 O12 S20 -","2","1","","Liu, Zun-qi; Kubo, Kazuya; Lin, Li; Hoshino, Norihisa; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Molecular motion in pyridazinium/crown ether supramolecular cation salts of a nickel dithiolene complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2930","2939","10.1039/c2dt32542j","","","0.71075","MoKα","","0.072","0.0518","","","0.1604","0.1816","","","","","","1.086","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022412","12.3282","0.0007","13.1671","0.0008","13.5519","0.0007","67.4445","0.0018","81.0005","0.0016","77.229","0.002","1975","0.2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H36 N Ni O6 S10 -","- C31 H36 N Ni O6 S10 -","- C62 H72 N2 Ni2 O12 S20 -","2","1","","Liu, Zun-qi; Kubo, Kazuya; Lin, Li; Hoshino, Norihisa; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Molecular motion in pyridazinium/crown ether supramolecular cation salts of a nickel dithiolene complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2930","2939","10.1039/c2dt32542j","","","0.71075","MoKα","","0.0543","0.0436","","","0.1148","0.1279","","","","","","1.068","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022413","8.5681","0.0006","14.7204","0.001","15.3568","0.0011","80.245","0.001","76.49","0.001","80.793","0.001","1841.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H60 N2 Os P2 -","- C40 H60 N2 Os P2 -","- C80 H120 N4 Os2 P4 -","2","1","","Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Martín-Ortíz, Mamen; Molina, Pedro; Oliván, Montserrat; Otón, Francisco; Sierra, Miguel A.; Valencia, Marta","Mono- and dinuclear osmium N,N'-di- and tetraphenylbipyridyls and extended bipyridyls. Synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3597","3608","10.1039/c2dt32548a","","","0.71073","MoKα","","0.036","0.0278","","","0.0433","0.0453","","","","","","0.897","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022414","17.258","0.004","8.775","0.002","23.919","0.006","90","","103.864","0.005","90","","3516.7","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H120 N2 Os2 P4 -","- C72 H120 N2 Os2 P4 -","- C144 H240 N4 Os4 P8 -","2","0.5","","Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Martín-Ortíz, Mamen; Molina, Pedro; Oliván, Montserrat; Otón, Francisco; Sierra, Miguel A.; Valencia, Marta","Mono- and dinuclear osmium N,N'-di- and tetraphenylbipyridyls and extended bipyridyls. Synthesis, structure and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3597","3608","10.1039/c2dt32548a","","","0.71073","MoKα","","0.0792","0.0425","","","0.0637","0.0701","","","","","","0.852","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022415","11.6933","0.001","10.0519","0.0009","19.3915","0.0016","90","","101.035","0.003","90","","2237.1","0.3","193","2","193","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C112 H100 N4 O16 -","4","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat","9,10-Dihydroanthracenyl structures: original ligands for the synthesis of polymetallic complexes through selective π-coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1136","1143","10.1039/c2dt32586a","","x-ray","0.71073","MoKα","","0.0752","0.0444","","","0.0982","0.1111","","","","","","1.033","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022416","6.4935","0.001","9.139","0.0016","14.86","0.003","90.294","0.007","97.462","0.006","105.779","0.006","840.7","0.3","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H21 N -","- C24 H21 N -","- C48 H42 N2 -","2","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat","9,10-Dihydroanthracenyl structures: original ligands for the synthesis of polymetallic complexes through selective π-coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1136","1143","10.1039/c2dt32586a","","","0.71073","MoKα","","0.0753","0.0496","","","0.1086","0.122","","","","","","1.026","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022417","9.842","0.002","16.472","0.004","15.6","0.003","90","","98.429","0.01","90","","2501.7","0.9","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 F6 N P Ru -","- C29 H26 F6 N P Ru -","- C116 H104 F24 N4 P4 Ru4 -","4","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat","9,10-Dihydroanthracenyl structures: original ligands for the synthesis of polymetallic complexes through selective π-coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1136","1143","10.1039/c2dt32586a","","x-ray","0.71073","MoKα","","0.0511","0.0426","","","0.1281","0.1421","","","","","","1.137","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022418","10.4728","0.0008","12.7544","0.001","13.4214","0.0011","99.463","0.003","95.608","0.003","107.133","0.002","1669.4","0.2","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C34 H31 F12 N P2 Ru2 -","- C34 H31 F12 N P2 Ru2 -","- C68 H62 F24 N2 P4 Ru4 -","2","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat","9,10-Dihydroanthracenyl structures: original ligands for the synthesis of polymetallic complexes through selective π-coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1136","1143","10.1039/c2dt32586a","","x-ray","0.71073","MoKα","","0.0635","0.0522","","","0.1345","0.1437","","","","","","1.029","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022419","19.3186","0.0015","10.2557","0.0008","22.5063","0.0018","90","","97.386","0.004","90","","4422.1","0.6","193","2","193","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 F18 N O P3 Ru3 -","- C42 H42 F18 N O P3 Ru3 -","- C168 H168 F72 N4 O4 P12 Ru12 -","4","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat","9,10-Dihydroanthracenyl structures: original ligands for the synthesis of polymetallic complexes through selective π-coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1136","1143","10.1039/c2dt32586a","","x-ray","0.71073","MoKα","","0.0305","0.0259","","","0.0658","0.069","","","","","","1.07","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022420","15.2263","0.0014","12.5743","0.001","19.0876","0.0016","90","","109.481","0.004","90","","3445.3","0.5","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cl2 F6 N O4 P Ru -","- C34 H32 Cl2 F6 N O4 P Ru -","- C136 H128 Cl8 F24 N4 O16 P4 Ru4 -","4","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat","9,10-Dihydroanthracenyl structures: original ligands for the synthesis of polymetallic complexes through selective π-coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1136","1143","10.1039/c2dt32586a","","","0.71073","MoKα","","0.048","0.0345","","","0.0843","0.0921","","","","","","1.029","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022421","14.9563","0.0006","10.1517","0.0004","17.2552","0.0007","90","","96.302","0.002","90","","2604.06","0.18","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H22 F6 N O2 P Ru -","- C29 H22 F6 N O2 P Ru -","- C116 H88 F24 N4 O8 P4 Ru4 -","4","1","","Bratko, Ielyzaveta; Mallet-Ladeira, Sonia; Saffon, Nathalie; Teuma, Emmanuelle; Gómez, Montserrat","9,10-Dihydroanthracenyl structures: original ligands for the synthesis of polymetallic complexes through selective π-coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","4","1136","1143","10.1039/c2dt32586a","","","0.71073","MoKα","","0.1057","0.058","","","0.1393","0.1644","","","","","","1.024","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022422","32.855","0.012","12.339","0.004","19.2","0.007","90","","113.975","0.005","90","","7112","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 Co2 N14 O2 -","- C32 H41 Co2 N14 O2 -","- C256 H328 Co16 N112 O16 -","8","1","","Majumder, Samit; Mondal, Suraj; Lemoine, Pascale; Mohanta, Sasankasekhar","Dinuclear mixed-valence Co(III)Co(II) complexes derived from a macrocyclic ligand: unique example of a Co(III)Co(II) complex showing catecholase activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4561","4569","10.1039/c2dt32629a","","","0.71073","MoKα","","0.0878","0.052","","","0.1282","0.1478","","","","","","1.016","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022423","9.631","0.004","12.255","0.005","16.296","0.007","96.958","0.005","101.226","0.005","104.979","0.005","1792.4","1.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H41 Co2 N8 O5 -","- C35 H41 Co2 N8 O5 -","- C70 H82 Co4 N16 O10 -","2","1","","Majumder, Samit; Mondal, Suraj; Lemoine, Pascale; Mohanta, Sasankasekhar","Dinuclear mixed-valence Co(III)Co(II) complexes derived from a macrocyclic ligand: unique example of a Co(III)Co(II) complex showing catecholase activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4561","4569","10.1039/c2dt32629a","","","0.71073","MoKα","","0.1014","0.077","","","0.2088","0.23","","","","","","1.022","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022424","15.792","0.004","11.677","0.006","21.775","0.004","90","","104.04","0.01","90","","3895","2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C34 H44 Cl Co2 N4 O10 -","- C34 H44 Cl Co2 N4 O10 -","- C136 H176 Cl4 Co8 N16 O40 -","4","1","","Majumder, Samit; Mondal, Suraj; Lemoine, Pascale; Mohanta, Sasankasekhar","Dinuclear mixed-valence Co(III)Co(II) complexes derived from a macrocyclic ligand: unique example of a Co(III)Co(II) complex showing catecholase activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4561","4569","10.1039/c2dt32629a","","","0.71073","MoKα","","0.1652","0.0502","","","0.1228","0.1534","","","","","","0.98","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022425","8.1573","0.0008","13.73","0.0014","13.9981","0.0014","62.583","0.002","86.744","0.002","87.794","0.002","1389.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Mn3 N4 O12 -","- C60 H40 Mn3 N4 O12 -","- C60 H40 Mn3 N4 O12 -","1","0.5","","Xu, Xin-Xin; Cui, Zhong-Ping; Qi, Ji; Liu, Xiao-Xia","Fabrication of a PANI/CPs composite material: a feasible method to enhance the photocatalytic activity of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","4031","4039","10.1039/c2dt32636a","","","0.71073","MoKα","","0.0462","0.0376","","","0.103","0.1098","","","","","","1.005","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022426","8.0946","0.0009","13.7803","0.0014","14.013","0.0015","61.93","0.002","86.412","0.002","88.182","0.002","1376.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Mn3 N4 O12 -","- C60 H40 Mn3 N4 O12 -","- C60 H40 Mn3 N4 O12 -","1","0.5","","Xu, Xin-Xin; Cui, Zhong-Ping; Qi, Ji; Liu, Xiao-Xia","Fabrication of a PANI/CPs composite material: a feasible method to enhance the photocatalytic activity of coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","4031","4039","10.1039/c2dt32636a","","","0.71073","MoKα","","0.0451","0.0362","","","0.0993","0.1064","","","","","","1.018","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022427","8.0195","0.0001","11.0754","0.0001","19.0449","0.0002","86.057","0.001","87.94","0.001","78.64","0.001","1654.05","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Mo(dpma-mes)(NMe2)2","","","- C36.5 H49 Mo N5 -","- C36.5 H49 Mo N5 -","- C73 H98 Mo2 N10 -","2","1","","DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Single-site N-N bond cleavage by Mo(IV): possible mechanisms of hydrazido(1-) to nitrido conversion.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2530","2539","10.1039/c2dt32643d","","x-ray","1.54178","CuKα","","0.0334","0.031","","","0.0759","0.0774","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022428","11.1614","0.0002","30.3369","0.0007","12.4226","0.0003","90","","98.527","0.002","90","","4159.82","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mo(dpma-mes)(NMe2)2(tBuNC)","","","- C42 H64 Mo N6 O -","- C42 H64 Mo N6 O -","- C168 H256 Mo4 N24 O4 -","4","1","","DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Single-site N-N bond cleavage by Mo(IV): possible mechanisms of hydrazido(1-) to nitrido conversion.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2530","2539","10.1039/c2dt32643d","","x-ray","0.71073","MoKα","","0.0587","0.0378","","","0.084","0.0913","","","","","","1.046","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022429","9.1791","0.0002","13.413","0.0003","23.0593","0.0005","90","","95.341","0.001","90","","2826.72","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","anti-Mo(dpma-mes)(NMe2)(N)","","","- C31 H39 Mo N5 -","- C31 H39 Mo N5 -","- C124 H156 Mo4 N20 -","4","1","","DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Single-site N-N bond cleavage by Mo(IV): possible mechanisms of hydrazido(1-) to nitrido conversion.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2530","2539","10.1039/c2dt32643d","","x-ray","0.71073","MoKα","","0.0486","0.0408","","","0.1009","0.1059","","","","","","1.118","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022430","11.4321","0.0002","7.8038","0.0001","16.3214","0.0002","90","","102.444","0.001","90","","1421.89","0.04","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","syn-Mo(dpma-mes)(NMe2)(N)","","","- C31 H39 Mo N5 -","- C31 H39 Mo N5 -","- C62 H78 Mo2 N10 -","2","1","","DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Single-site N-N bond cleavage by Mo(IV): possible mechanisms of hydrazido(1-) to nitrido conversion.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2530","2539","10.1039/c2dt32643d","","x-ray","1.54178","CuKα","","0.0204","0.0202","","","0.0528","0.0528","","","","","","1.128","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022431","8.8989","0.0003","17.1612","0.0007","11.0168","0.0004","90","","112.552","0.001","90","","1553.79","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Zr(dpmames)(NMe2)2","","","- C33 H45 N5 Zr -","- C33 H45 N5 Zr -","- C66 H90 N10 Zr2 -","2","1","","DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Single-site N-N bond cleavage by Mo(IV): possible mechanisms of hydrazido(1-) to nitrido conversion.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2530","2539","10.1039/c2dt32643d","","x-ray","0.71073","MoKα","","0.0636","0.0493","","","0.112","0.1199","","","","","","1.029","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022432","9.3493","0.0009","16.361","0.002","11.4593","0.0013","90","","111.503","0.007","90","","1630.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","Zr(dpma-mes)(NHNMe2)2","","","- C33 H47 N7 Zr -","- C33 H47 N7 Zr -","- C66 H94 N14 Zr2 -","2","1","","DiFranco, Stephen A.; Staples, Richard J.; Odom, Aaron L.","Single-site N-N bond cleavage by Mo(IV): possible mechanisms of hydrazido(1-) to nitrido conversion.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2530","2539","10.1039/c2dt32643d","","x-ray","1.54178","CuKα","","0.1065","0.0613","","","0.122","0.1457","","","","","","1.014","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022433","12.63006","0.00016","13.44521","0.00015","15.6629","0.0002","90","","95.8996","0.0011","90","","2645.69","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 B10 N2 Ru S2 -","- C19 H34 B10 N2 Ru S2 -","- C76 H136 B40 N8 Ru4 S8 -","4","1","","Barry, Nicolas P. E.; Deeth, Robert J.; Clarkson, Guy J.; Prokes, Ivan; Sadler, Peter J.","Thermochromic organometallic complexes: experimental and theoretical studies of 16- to 18-electron interconversions of adducts of arene Ru(II) carboranes with aromatic amine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2580","2587","10.1039/c2dt32650g","","","0.71073","MoKα","","0.0276","0.0238","","","0.0553","0.0568","","","","","","1.062","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022434","12.8296","0.0002","14.3571","0.0003","16.7253","0.0004","87.0579","0.0019","89.9426","0.0017","76.9564","0.0017","2997.11","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C17.5 H31.5 B10 Cl4.5 N2 Ru S2 -","- C17.5 H31.5 B10 Cl4.5 N2 Ru S2 -","- C70 H126 B40 Cl18 N8 Ru4 S8 -","4","2","","Barry, Nicolas P. E.; Deeth, Robert J.; Clarkson, Guy J.; Prokes, Ivan; Sadler, Peter J.","Thermochromic organometallic complexes: experimental and theoretical studies of 16- to 18-electron interconversions of adducts of arene Ru(II) carboranes with aromatic amine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2580","2587","10.1039/c2dt32650g","","","1.54184","CuKα","","0.0384","0.0344","","","0.085","0.0877","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022435","6.518","0.004","6.8952","0.0009","16.17","0.003","90","","100.587","0.011","90","","714.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","dibromo(dimethyl sulfide)selenium(II)","","- C2 H6 Br2 S Se -","- C2 H6 Br2 S Se -","- C8 H24 Br8 S4 Se4 -","4","1","","Jolleys, Andrew; Levason, William; Reid, Gillian","Thioether coordination to divalent selenium halide acceptors‒synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2963","2972","10.1039/c2dt32665e","","","0.71073","MoKα","","0.0506","0.0297","","","0.0498","0.0517","","","","","","0.679","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022436","15.591","0.006","9.133","0.003","9.089","0.004","90","","110.82","0.008","90","","1209.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-dichlorobis(tetrahydrothiophene)selenium(II)","","- C8 H16 Cl2 S2 Se -","- C8 H16 Cl2 S2 Se -","- C32 H64 Cl8 S8 Se4 -","4","0.5","","Jolleys, Andrew; Levason, William; Reid, Gillian","Thioether coordination to divalent selenium halide acceptors‒synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2963","2972","10.1039/c2dt32665e","","","0.71073","MoKα","","0.031","0.0246","","","0.0519","0.0538","","","","","","1.009","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022437","15.903","0.007","9.336","0.004","9.397","0.004","90","","112.966","0.008","90","","1284.6","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","trans-dibromobis(tetrahydrothiophene)selenium(II)","","- C8 H16 Br2 S2 Se -","- C8 H16 Br2 S2 Se -","- C32 H64 Br8 S8 Se4 -","4","0.5","","Jolleys, Andrew; Levason, William; Reid, Gillian","Thioether coordination to divalent selenium halide acceptors‒synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2963","2972","10.1039/c2dt32665e","","","0.71073","MoKα","","0.0363","0.0351","","","0.0956","0.0961","","","","","","1.142","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022438","15.713","0.006","8.73","0.003","15.133","0.006","90","","109.835","0.008","90","","1952.7","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Dibromo[1,2-bis(methylsulfanyl)ethane-S,S']selenium(II)","","- C4 H10 Br2 S2 Se -","- C4 H10 Br2 S2 Se -","- C32 H80 Br16 S16 Se8 -","8","2","","Jolleys, Andrew; Levason, William; Reid, Gillian","Thioether coordination to divalent selenium halide acceptors‒synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2963","2972","10.1039/c2dt32665e","","","0.71073","MoKα","","0.0737","0.0471","","","0.0826","0.0911","","","","","","1.047","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022439","15.963","0.007","11.782","0.006","12.718","0.006","90","","107.534","0.008","90","","2280.8","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Dibromobis(4-bromo-1,2-bis(methylthio)benzene-S)selenium(II)","","- C16 H18 Br4 S4 Se -","- C16 H18 Br4 S4 Se -","- C64 H72 Br16 S16 Se4 -","4","0.5","","Jolleys, Andrew; Levason, William; Reid, Gillian","Thioether coordination to divalent selenium halide acceptors‒synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2963","2972","10.1039/c2dt32665e","","","0.71073","MoKα","","0.0924","0.0489","","","0.0915","0.1064","","","","","","0.985","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022440","10.0866","0.0016","8.0491","0.0011","14.533","0.002","90","","109.211","0.008","90","","1114.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-dibromo(2,6-dithiaheptane-S,S')selenium(II)","","- C5 H12 Br2 S2 Se -","- C5 H12 Br2 S2 Se -","- C20 H48 Br8 S8 Se4 -","4","0.5","","Jolleys, Andrew; Levason, William; Reid, Gillian","Thioether coordination to divalent selenium halide acceptors‒synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2963","2972","10.1039/c2dt32665e","","","0.71073","MoKα","","0.1088","0.1052","","","0.2801","0.2814","","","","","","1.271","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022441","10.095","0.004","10.111","0.004","12.633","0.005","112.04","0.008","96.489","0.007","92.494","0.007","1182.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis[3,4-bis(methylsulfanyl)phenyl](methyl)[2-(methylsulfanyl)phenyl]sulfonium hexachloroselenate(IV) dichloroselenium(II)","","- C32 H38 Cl9.52 S8 Se2.76 -","- C32 H38 Cl9.52 S8 Se2.76 -","- C32 H38 Cl9.52 S8 Se2.76 -","1","0.5","","Jolleys, Andrew; Levason, William; Reid, Gillian","Thioether coordination to divalent selenium halide acceptors‒synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2963","2972","10.1039/c2dt32665e","","","0.71073","MoKα","","0.0805","0.0528","","","0.0988","0.11","","","","","","1.034","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022442","7.607","0.004","9.262","0.005","10.897","0.006","93.373","0.007","96.211","0.007","107.647","0.008","723.9","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis[2-methyl-1-(methylthio)-1,3-dihydro-2-benzothiophenium] hexachlorodiselenate(II)","","- C10 H13 Cl3 S2 Se -","- C10 H13 Cl3 S2 Se -","- C20 H26 Cl6 S4 Se2 -","2","1","","Jolleys, Andrew; Levason, William; Reid, Gillian","Thioether coordination to divalent selenium halide acceptors‒synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2963","2972","10.1039/c2dt32665e","","","0.71073","MoKα","","0.0929","0.0537","","","0.0971","0.113","","","","","","1.003","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7022443","14.882","0.004","10.349","0.003","15.57","0.005","90","","108.937","0.008","90","","2268.2","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","bis(2-methyl-1,3-dihydro-2-benzothiophenium) tetrabromoselenate(II)","","- C18 H22 Br4 S2 Se -","- C18 H22 Br4 S2 Se -","- C72 H88 Br16 S8 Se4 -","4","0.5","","Jolleys, Andrew; Levason, William; Reid, Gillian","Thioether coordination to divalent selenium halide acceptors‒synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2963","2972","10.1039/c2dt32665e","","","0.71073","MoKα","","0.0401","0.031","","","0.0656","0.069","","","","","","1.04","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022444","6.338","0.004","6.697","0.004","7.977","0.005","90","","97.946","0.007","90","","335.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Dichloro(methylsulfanylmethane)selenium(II)","","- C2 H6 Cl2 S Se -","- C2 H6 Cl2 S Se -","- C4 H12 Cl4 S2 Se2 -","2","1","","Jolleys, Andrew; Levason, William; Reid, Gillian","Thioether coordination to divalent selenium halide acceptors‒synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2963","2972","10.1039/c2dt32665e","","","0.71073","MoKα","","0.0207","0.0198","","","0.0452","0.0457","","","","","","0.734","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022445","18.57","0.002","19.659","0.002","21.045","0.002","90","","106.824","0.002","90","","7354","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H75 O12 P4 Rh3 S2 -","- C82 H75 O12 P4 Rh3 S2 -","- C328 H300 O48 P16 Rh12 S8 -","4","1","","Castarlenas, Ricardo; Cunchillos, Carmen; Gómez-Bautista, Daniel; Jiménez, M Victoria; Lahoz, Fernando J.; Miranda, José R; Oro, Luis A.; Pérez-Torrente, Jesús J","Bis(hydrosulfido)-bridged dinuclear rhodium(I) complexes as a platform for the synthesis of trinuclear sulfido aggregates with the core [MRh2(μ3-S2)] (M = Rh, Ir, Pd, Pt, Ru).","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3471","3481","10.1039/c2dt32680a","","","0.71073","MoKα","","0.0558","0.0407","","","0.0772","0.0822","","","","","","1.051","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022446","28.003","0.008","11.553","0.003","22.405","0.007","90","","90","","90","","7248","4","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C80 H72 O12 P4 Pd Rh2 S2 -","- C80 H72 O12 P4 Pd Rh2 S2 -","- C320 H288 O48 P16 Pd4 Rh8 S8 -","4","1","","Castarlenas, Ricardo; Cunchillos, Carmen; Gómez-Bautista, Daniel; Jiménez, M Victoria; Lahoz, Fernando J.; Miranda, José R; Oro, Luis A.; Pérez-Torrente, Jesús J","Bis(hydrosulfido)-bridged dinuclear rhodium(I) complexes as a platform for the synthesis of trinuclear sulfido aggregates with the core [MRh2(μ3-S2)] (M = Rh, Ir, Pd, Pt, Ru).","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3471","3481","10.1039/c2dt32680a","","","0.71073","MoKα","","0.0787","0.06","","","0.1002","0.1063","","","","","","1.072","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022447","13.019","0.003","14.506","0.004","23.261","0.006","88.088","0.004","79.405","0.004","63.931","0.004","3873.1","1.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C81 H74 Cl2 O12 P4 Pt Rh2 S2 -","- C81 H74 Cl2 O12 P4 Pt Rh2 S2 -","- C162 H148 Cl4 O24 P8 Pt2 Rh4 S4 -","2","1","","Castarlenas, Ricardo; Cunchillos, Carmen; Gómez-Bautista, Daniel; Jiménez, M Victoria; Lahoz, Fernando J.; Miranda, José R; Oro, Luis A.; Pérez-Torrente, Jesús J","Bis(hydrosulfido)-bridged dinuclear rhodium(I) complexes as a platform for the synthesis of trinuclear sulfido aggregates with the core [MRh2(μ3-S2)] (M = Rh, Ir, Pd, Pt, Ru).","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3471","3481","10.1039/c2dt32680a","","","0.71073","MoKα","","0.0681","0.0456","","","0.0922","0.0992","","","","","","1.009","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022448","22.572","0.001","9.462","0.0005","21.366","0.001","90","","103.623","0.005","90","","4434.9","0.4","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H44 Cl2 O2 P2 Pt Rh2 S2 -","- C47 H44 Cl2 O2 P2 Pt Rh2 S2 -","- C188 H176 Cl8 O8 P8 Pt4 Rh8 S8 -","4","0.5","","Castarlenas, Ricardo; Cunchillos, Carmen; Gómez-Bautista, Daniel; Jiménez, M Victoria; Lahoz, Fernando J.; Miranda, José R; Oro, Luis A.; Pérez-Torrente, Jesús J","Bis(hydrosulfido)-bridged dinuclear rhodium(I) complexes as a platform for the synthesis of trinuclear sulfido aggregates with the core [MRh2(μ3-S2)] (M = Rh, Ir, Pd, Pt, Ru).","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3471","3481","10.1039/c2dt32680a","","","0.7382","synchrotron","","0.0335","0.0332","","","0.0819","0.0821","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022449","14.1988","0.0009","16.1145","0.0011","17.0522","0.0011","89.69","0.001","68.692","0.001","83.665","0.001","3610.2","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C78.5 H67 Cl O12 P4 Rh2 Ru S2 -","- C78.5 H67 Cl O12 P4 Rh2 Ru S2 -","- C157 H134 Cl2 O24 P8 Rh4 Ru2 S4 -","2","1","","Castarlenas, Ricardo; Cunchillos, Carmen; Gómez-Bautista, Daniel; Jiménez, M Victoria; Lahoz, Fernando J.; Miranda, José R; Oro, Luis A.; Pérez-Torrente, Jesús J","Bis(hydrosulfido)-bridged dinuclear rhodium(I) complexes as a platform for the synthesis of trinuclear sulfido aggregates with the core [MRh2(μ3-S2)] (M = Rh, Ir, Pd, Pt, Ru).","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3471","3481","10.1039/c2dt32680a","","","0.71073","MoKα","","0.0401","0.0344","","","0.094","0.0977","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022450","13.499","0.002","14.9155","0.0019","19.625","0.003","90","","111.49","0.003","90","","3676.7","0.9","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H51 Li2 N3 O3 -","- C39 H51 Li2 N3 O3 -","- C156 H204 Li8 N12 O12 -","4","1","","Dean, Rebecca K.; Reckling, Amy M.; Chen, Hua; Dawe, Louise N.; Schneider, Celine M.; Kozak, Christopher M.","Ring-opening polymerization of cyclic esters with lithium amine-bis(phenolate) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3504","3520","10.1039/c2dt32682e","","","0.71075","MoKα","","0.0688","0.0674","","","0.1629","0.164","","","","","","1.184","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022451","13.603","0.003","30.921","0.006","17.41","0.004","90","","124.6","0.003","90","","6028","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H94 Li4 N2 O6 -","- C62 H94 Li4 N2 O6 -","- C248 H376 Li16 N8 O24 -","4","1","","Dean, Rebecca K.; Reckling, Amy M.; Chen, Hua; Dawe, Louise N.; Schneider, Celine M.; Kozak, Christopher M.","Ring-opening polymerization of cyclic esters with lithium amine-bis(phenolate) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3504","3520","10.1039/c2dt32682e","","","0.71075","MoKα","","0.1006","0.0931","","","0.2122","0.2174","","","","","","1.252","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022452","19.1004","0.0008","14.7275","0.0006","23.5622","0.001","90","","99.9021","0.001","90","","6529.3","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H65 Cl Dy2 N4 Ni2 O22 -","- C63 H65 Cl Dy2 N4 Ni2 O22 -","- C252 H260 Cl4 Dy8 N16 Ni8 O88 -","4","1","","Yu, Wan-Rong; Lee, Gene-Hsian; Yang, En-Che","Systematic studies of the structures and magnetic properties for a family of cubane complexes with the formula: [M2Ln2] (Ln = Dy, Gd; M = Ni, Zn) and [Ni2Y2].","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3941","3949","10.1039/c2dt32688d","","","0.71073","MoKα","","0.0514","0.0373","","","0.0794","0.0867","","","","","","1.022","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022453","19.1917","0.0008","14.7897","0.0006","23.566","0.001","90","","99.3505","0.001","90","","6600.1","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H65 Cl Dy2 N4 O22 Zn2 -","- C63 H65 Cl Dy2 N4 O22 Zn2 -","- C252 H260 Cl4 Dy8 N16 O88 Zn8 -","4","1","","Yu, Wan-Rong; Lee, Gene-Hsian; Yang, En-Che","Systematic studies of the structures and magnetic properties for a family of cubane complexes with the formula: [M2Ln2] (Ln = Dy, Gd; M = Ni, Zn) and [Ni2Y2].","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3941","3949","10.1039/c2dt32688d","","","0.71073","MoKα","","0.0764","0.0475","","","0.0871","0.0994","","","","","","1.016","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022454","19.127","0.002","14.7562","0.0018","23.539","0.003","90","","99.939","0.003","90","","6544","1.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H65 Cl N4 Ni2 O22 Y2 -","- C63 H65 Cl N4 Ni2 O22 Y2 -","- C252 H260 Cl4 N16 Ni8 O88 Y8 -","4","1","","Yu, Wan-Rong; Lee, Gene-Hsian; Yang, En-Che","Systematic studies of the structures and magnetic properties for a family of cubane complexes with the formula: [M2Ln2] (Ln = Dy, Gd; M = Ni, Zn) and [Ni2Y2].","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3941","3949","10.1039/c2dt32688d","","","0.71073","MoKα","","0.0947","0.0518","","","0.1089","0.1307","","","","","","1.016","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022455","21.2334","0.001","23.9758","0.0011","17.5937","0.0008","90","","121.341","0.0009","90","","7649.8","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H75 Cl Gd2 N4 Ni2 O26 -","- C64 H53 Cl Gd2 N4 Ni2 O26 -","- C256 H212 Cl4 Gd8 N16 Ni8 O104 -","4","0.5","","Yu, Wan-Rong; Lee, Gene-Hsian; Yang, En-Che","Systematic studies of the structures and magnetic properties for a family of cubane complexes with the formula: [M2Ln2] (Ln = Dy, Gd; M = Ni, Zn) and [Ni2Y2].","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3941","3949","10.1039/c2dt32688d","","","0.71073","MoKα","","0.0694","0.0558","","","0.1536","0.1652","","","","","","1.072","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022456","21.1184","0.001","24.0124","0.0011","17.7431","0.0008","90","","121.138","0.0011","90","","7701.3","0.6","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C64 H75 Cl Gd2 N4 O26 Zn2 -","- C64 H53 Cl Gd2 N4 O26 Zn2 -","- C256 H212 Cl4 Gd8 N16 O104 Zn8 -","4","0.5","","Yu, Wan-Rong; Lee, Gene-Hsian; Yang, En-Che","Systematic studies of the structures and magnetic properties for a family of cubane complexes with the formula: [M2Ln2] (Ln = Dy, Gd; M = Ni, Zn) and [Ni2Y2].","Dalton transactions (Cambridge, England : 2003)","2013","42","11","3941","3949","10.1039/c2dt32688d","","","0.71073","MoKα","","0.0871","0.0596","","","0.1636","0.183","","","","","","1.041","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022457","8.5748","0.0004","10.5831","0.0005","11.2737","0.0005","65.292","0.001","68.797","0.001","66.559","0.001","828.94","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N4 O3 V -","- C18 H15 N4 O3 V -","- C36 H30 N8 O6 V2 -","2","1","","Kundu, Suman; Maity, Suvendu; Maity, Amarendra Nath; Ke, Shyue-Chu; Ghosh, Prasanta","Stabilization of oxidovanadium(IV) by organic radicals.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4586","4601","10.1039/c2dt32693k","","","0.71073","MoKα","","0.0362","0.0325","","","0.0899","0.0932","","","","","","1.052","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022458","7.7096","0.0006","10.4577","0.0007","14.4475","0.001","68.803","0.004","87.769","0.004","75.321","0.003","1048.77","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N4 O3 V -","- C22 H23 N4 O3 V -","- C44 H46 N8 O6 V2 -","2","1","","Kundu, Suman; Maity, Suvendu; Maity, Amarendra Nath; Ke, Shyue-Chu; Ghosh, Prasanta","Stabilization of oxidovanadium(IV) by organic radicals.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4586","4601","10.1039/c2dt32693k","","","0.71073","MoKα","","0.0522","0.039","","","0.098","0.1074","","","","","","1.025","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7022459","26.597","0.014","11.17","0.006","18.65","0.01","90","","106.085","0.007","90","","5324","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H31 N4 O3 V -","- C26 H31 N4 O3 V -","- C208 H248 N32 O24 V8 -","8","1","","Kundu, Suman; Maity, Suvendu; Maity, Amarendra Nath; Ke, Shyue-Chu; Ghosh, Prasanta","Stabilization of oxidovanadium(IV) by organic radicals.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4586","4601","10.1039/c2dt32693k","","","0.71073","MoKα","","0.1154","0.0541","","","0.1321","0.1632","","","","","","0.966","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022460","21.409","0.003","15.021","0.002","20.778","0.003","90","","114.793","0.002","90","","6066","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H39 N4 O3 V -","- C30 H39 N4 O3 V -","- C240 H312 N32 O24 V8 -","8","1","","Kundu, Suman; Maity, Suvendu; Maity, Amarendra Nath; Ke, Shyue-Chu; Ghosh, Prasanta","Stabilization of oxidovanadium(IV) by organic radicals.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4586","4601","10.1039/c2dt32693k","","","0.71073","MoKα","","0.0609","0.0433","","","0.1145","0.1265","","","","","","1.041","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022461","9.1229","0.0004","13.8932","0.0006","14.3935","0.0007","76.435","0.003","73.076","0.003","87.607","0.003","1695.94","0.14","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H18 Cu2 F12 N12 -","- C33 H18 Cu2 F12 N12 -","- C66 H36 Cu4 F24 N24 -","2","1","","Fedin, Matvey V.; Zhilina, Ekaterina F.; Chizhov, Dmitrii L.; Apolonskaya, Inna A.; Aleksandrov, Grigory G.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Eremenko, Igor L.; Novotortsev, Vladimir M.; Charushin, Valery N.","Temperature-dependent zero-field splitting in a copper(II) dimer studied by EPR.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4513","4521","10.1039/c2dt32697c","","","0.71073","MoKα","","0.0953","0.0503","","","0.1052","0.117","","","","","","0.924","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022462","9.2169","0.0002","14.1322","0.0003","14.4655","0.0003","76.554","0.001","73.581","0.001","87.224","0.001","1757.52","0.07","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H18 Cu2 F12 N12 -","- C33 H18 Cu2 F12 N12 -","- C66 H36 Cu4 F24 N24 -","2","1","","Fedin, Matvey V.; Zhilina, Ekaterina F.; Chizhov, Dmitrii L.; Apolonskaya, Inna A.; Aleksandrov, Grigory G.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Eremenko, Igor L.; Novotortsev, Vladimir M.; Charushin, Valery N.","Temperature-dependent zero-field splitting in a copper(II) dimer studied by EPR.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4513","4521","10.1039/c2dt32697c","","","1.54178","CuKα","","0.0421","0.0384","","","0.1066","0.1097","","","","","","1.056","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022463","9.1395","0.0006","13.9368","0.0009","14.3849","0.0009","76.298","0.001","73.583","0.001","87.436","0.001","1707.08","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H18 Cu2 F12 N12 -","- C33 H18 Cu2 F12 N12 -","- C66 H36 Cu4 F24 N24 -","2","1","","Fedin, Matvey V.; Zhilina, Ekaterina F.; Chizhov, Dmitrii L.; Apolonskaya, Inna A.; Aleksandrov, Grigory G.; Kiskin, Mikhail A.; Sidorov, Aleksei A.; Bogomyakov, Artem S.; Romanenko, Galina V.; Eremenko, Igor L.; Novotortsev, Vladimir M.; Charushin, Valery N.","Temperature-dependent zero-field splitting in a copper(II) dimer studied by EPR.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4513","4521","10.1039/c2dt32697c","","","0.71073","MoKα","","0.0805","0.0489","","","0.1189","0.1417","","","","","","0.963","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022464","10.7377","0.0006","13.3608","0.0008","18.533","0.0011","85.615","0.003","89.546","0.004","71.427","0.003","2512.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H57 B2 F44 P4 -","- C111 H57 B2 F44 P4 -","- C111 H57 B2 F44 P4 -","1","0.5","","Hounjet, Lindsay J.; Caputo, Christopher B.; Stephan, Douglas W.","The Lewis acidity of fluorophosphonium salts: access to mixed valent phosphorus(III)/(V) species.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2629","2635","10.1039/c2dt32711b","","","0.71073","MoKα","","0.0796","0.054","","","0.1521","0.1692","","","","","","1.041","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022465","14.5862","0.0006","14.4109","0.0006","17.6835","0.0008","90","","110.851","0.002","90","","3473.6","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 F12 O6 P2 S2 -","- C32 H20 F12 O6 P2 S2 -","- C128 H80 F48 O24 P8 S8 -","4","1","","Hounjet, Lindsay J.; Caputo, Christopher B.; Stephan, Douglas W.","The Lewis acidity of fluorophosphonium salts: access to mixed valent phosphorus(III)/(V) species.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2629","2635","10.1039/c2dt32711b","","","0.71073","MoKα","","0.1387","0.0739","","","0.2059","0.2478","","","","","","1.037","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022466","16.4223","0.0017","8.9674","0.001","18.0179","0.0017","90","","104.44","0.005","90","","2569.6","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 F6 P2 -","- C30 H20 F6 P2 -","- C120 H80 F24 P8 -","4","1","","Hounjet, Lindsay J.; Caputo, Christopher B.; Stephan, Douglas W.","The Lewis acidity of fluorophosphonium salts: access to mixed valent phosphorus(III)/(V) species.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2629","2635","10.1039/c2dt32711b","","","0.71073","MoKα","","0.092","0.0465","","","0.0957","0.1139","","","","","","0.983","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022467","17.58","0.0011","12.421","0.0007","18.6519","0.0012","90","","90","","90","","4072.9","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H10 F9 O3 P S -","- C19 H10 F9 O3 P S -","- C152 H80 F72 O24 P8 S8 -","8","1","","Hounjet, Lindsay J.; Caputo, Christopher B.; Stephan, Douglas W.","The Lewis acidity of fluorophosphonium salts: access to mixed valent phosphorus(III)/(V) species.","Dalton transactions (Cambridge, England : 2003)","2013","42","7","2629","2635","10.1039/c2dt32711b","","","0.71073","MoKα","","0.101","0.0446","","","0.0853","0.1051","","","","","","1","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022468","25.096","0.002","10.4441","0.0008","18.8981","0.0013","90","","126.654","0.004","90","","3973.8","0.6","223","","223","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C36 H37 F6 Hg N3 O6 S2 -","- C36 H30 F6 Hg N3 O6 S2 -","- C144 H120 F24 Hg4 N12 O24 S8 -","4","1","","Ikeda, Mari; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi","Effects of structures of HgX2 complexes (X = CF3SO3 and Cl) with chiral bidentate ligands on circular dichroism spectra.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","3009","3014","10.1039/c2dt32712k","","","0.71073","MoKα","","0.0552","0.0451","","","0.1069","0.1108","","","","","","0.983","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022469","11.269","0.002","14.216","0.003","14.794","0.003","90","","106.79","0.03","90","","2269","0.9","153","","153","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H46 Cl4 Hg2 N6 -","- C48 H46 Cl4 Hg2 N6 -","- C96 H92 Cl8 Hg4 N12 -","2","1","","Ikeda, Mari; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi","Effects of structures of HgX2 complexes (X = CF3SO3 and Cl) with chiral bidentate ligands on circular dichroism spectra.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","3009","3014","10.1039/c2dt32712k","","","0.71073","MoKα","","0.0291","0.0249","","","0.0509","0.0526","","","","","","0.739","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022470","10.8176","0.0006","18.1757","0.0011","25.9297","0.0015","90","","90","","90","","5098.2","0.5","100","","100","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H50 F6 Hg N6 O7 S2 -","- C51 H49 F6 Hg N6 O7 S2 -","- C204 H196 F24 Hg4 N24 O28 S8 -","4","1","","Ikeda, Mari; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi","Effects of structures of HgX2 complexes (X = CF3SO3 and Cl) with chiral bidentate ligands on circular dichroism spectra.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","3009","3014","10.1039/c2dt32712k","","","0.71073","MoKα","","0.0476","0.0436","","","0.1015","0.1047","","","","","","1.138","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022471","25.681","0.0015","12.3916","0.0007","17.8922","0.001","90","","133.498","0.001","90","","4130.3","0.4","90","","90","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H21 Cl2 Hg N3 -","- C20 H21 Cl2 Hg N3 -","- C160 H168 Cl16 Hg8 N24 -","8","2","","Ikeda, Mari; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi","Effects of structures of HgX2 complexes (X = CF3SO3 and Cl) with chiral bidentate ligands on circular dichroism spectra.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","3009","3014","10.1039/c2dt32712k","","","0.71073","MoKα","","0.023","0.0215","","","0.0498","0.0538","","","","","","0.994","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022472","10.983","0.002","11.61","0.002","12.528","0.003","102.42","0.03","95.4","0.03","109.96","0.03","1441.8","0.7","100","","100","","","","","","","","","7","P 1","P 1","1","","","","- C46 H50 F12 Hg2 N6 O14 S4 -","- C46 H48 F12 Hg2 N6 O14 S4 -","- C46 H48 F12 Hg2 N6 O14 S4 -","1","1","","Ikeda, Mari; Kuwahara, Shunsuke; Lee, Shim Sung; Habata, Yoichi","Effects of structures of HgX2 complexes (X = CF3SO3 and Cl) with chiral bidentate ligands on circular dichroism spectra.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","3009","3014","10.1039/c2dt32712k","","","0.71073","MoKα","","0.0269","0.0247","","","0.0565","0.0571","","","","","","1.026","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022473","15.1363","0.0008","14.0416","0.0007","20.7216","0.001","90","","90","","90","","4404.1","0.4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C46 H54 Cl N6 O3 Ru2 -","- C46 H54.28 Cl N6 O3 Ru2 -","- C184 H217.12 Cl4 N24 O12 Ru8 -","4","0.5","","Ngubane, Siyabonga; Kadish, Karl M.; Bear, John L.; Van Caemelbecke, Eric; Thuriere, Antoine; Ramirez, Kevin P.","Synthesis, structure, and electrochemical characterization of a mixed-ligand diruthenium(III,II) complex with an unusual arrangement of the bridging ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3571","3580","10.1039/c2dt32715e","","","0.71073","MoKα","","0.0494","0.0307","","","0.0806","0.0948","","","","","","1.08","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022474","26.792","0.009","8.593","0.003","19.31","0.008","90","","99.763","0.019","90","","4381","3","150","2","150","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H72 Li2 N2 O6 -","- C42 H72 Li2 N2 O6 -","- C168 H288 Li8 N8 O24 -","4","0.5","","Roşca, Sorin-Claudiu; Roşca, Dragoş-Adrian; Dorcet, Vincent; Kozak, Christopher M.; Kerton, Francesca M.; Carpentier, Jean-François; Sarazin, Yann","Alkali aminoether-phenolate complexes: synthesis, structural characterization and evidence for an activated monomer ROP mechanism.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9361","9375","10.1039/c2dt32726k","","x-ray","0.71073","MoKα","","0.1347","0.0825","","","0.229","0.2802","","","","","","0.966","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022475","10.74","0.003","11.668","0.003","18.746","0.005","91.944","0.012","100.525","0.012","95.069","0.013","2297.6","1.1","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C46 H76 Li2 N2 O6 -","- C46 H76 Li2 N2 O6 -","- C92 H152 Li4 N4 O12 -","2","1","","Roşca, Sorin-Claudiu; Roşca, Dragoş-Adrian; Dorcet, Vincent; Kozak, Christopher M.; Kerton, Francesca M.; Carpentier, Jean-François; Sarazin, Yann","Alkali aminoether-phenolate complexes: synthesis, structural characterization and evidence for an activated monomer ROP mechanism.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9361","9375","10.1039/c2dt32726k","","x-ray","0.71073","MoKα","","0.1245","0.06","","","0.1356","0.1673","","","","","","1.022","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022476","15.9897","0.001","9.9413","0.0007","16.3045","0.0014","90","","95.297","0.004","90","","2580.7","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 Li N O5 -","- C25 H42 Li N O5 -","- C100 H168 Li4 N4 O20 -","4","1","","Roşca, Sorin-Claudiu; Roşca, Dragoş-Adrian; Dorcet, Vincent; Kozak, Christopher M.; Kerton, Francesca M.; Carpentier, Jean-François; Sarazin, Yann","Alkali aminoether-phenolate complexes: synthesis, structural characterization and evidence for an activated monomer ROP mechanism.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9361","9375","10.1039/c2dt32726k","","x-ray","0.71073","MoKα","","0.0594","0.0431","","","0.1209","0.1379","","","","","","1.099","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022477","17.3807","0.0005","17.0158","0.0005","20.0753","0.0005","90","","111.724","0.001","90","","5515.5","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H84 K2 N2 O10 -","- C50 H84 K2 N2 O10 -","- C200 H336 K8 N8 O40 -","4","1","","Roşca, Sorin-Claudiu; Roşca, Dragoş-Adrian; Dorcet, Vincent; Kozak, Christopher M.; Kerton, Francesca M.; Carpentier, Jean-François; Sarazin, Yann","Alkali aminoether-phenolate complexes: synthesis, structural characterization and evidence for an activated monomer ROP mechanism.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9361","9375","10.1039/c2dt32726k","","x-ray","0.71073","MoKα","","0.0729","0.0427","","","0.0943","0.1077","","","","","","1.019","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022478","10.0152","0.0003","22.0468","0.0006","16.1844","0.0005","90","","98.016","0.002","90","","3538.65","0.18","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H56 Li2 N2 O5 Si2 -","- C29 H56 Li2 N2 O5 Si2 -","- C116 H224 Li8 N8 O20 Si8 -","4","1","","Roşca, Sorin-Claudiu; Roşca, Dragoş-Adrian; Dorcet, Vincent; Kozak, Christopher M.; Kerton, Francesca M.; Carpentier, Jean-François; Sarazin, Yann","Alkali aminoether-phenolate complexes: synthesis, structural characterization and evidence for an activated monomer ROP mechanism.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9361","9375","10.1039/c2dt32726k","","x-ray","0.71073","MoKα","","0.0498","0.0397","","","0.1026","0.1095","","","","","","1.033","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022479","16.085","0.003","6.6736","0.001","12.681","0.002","90","","111.524","0.002","90","","1266.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O6 Sr -","- C12 H10 N2 O6 Sr -","- C48 H40 N8 O24 Sr4 -","4","1","","Xiong, Zhi-Fang; Gao, Rui-Min; Xie, Zheng-Kun; Guo, Bei-Bei; Li, Li; Zhu, Yan-Yan; Li, Gang","Assembly of a series of MOFs based on the 2-(m-methoxyphenyl)imidazole dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4613","4624","10.1039/c2dt32727a","","","0.71073","MoKα","","0.046","0.0351","","","0.0852","0.0924","","","","","","0.985","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022480","16.7894","0.0012","16.7894","0.0012","17.349","0.003","90","","90","","90","","4890.4","1","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H18 N4 O10 Sr -","- C24 H18 N4 O10 Sr -","- C192 H144 N32 O80 Sr8 -","8","0.5","","Xiong, Zhi-Fang; Gao, Rui-Min; Xie, Zheng-Kun; Guo, Bei-Bei; Li, Li; Zhu, Yan-Yan; Li, Gang","Assembly of a series of MOFs based on the 2-(m-methoxyphenyl)imidazole dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4613","4624","10.1039/c2dt32727a","","","0.71073","MoKα","","0.0861","0.0468","","","0.1074","0.1217","","","","","","1.051","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022481","9.145","0.003","10.039","0.003","14.935","0.004","70.431","0.003","72.443","0.004","73.837","0.003","1207.5","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Cd3 N8 O22 -","- C48 H38 Cd3 N8 O22 -","- C48 H38 Cd3 N8 O22 -","1","0.5","","Xiong, Zhi-Fang; Gao, Rui-Min; Xie, Zheng-Kun; Guo, Bei-Bei; Li, Li; Zhu, Yan-Yan; Li, Gang","Assembly of a series of MOFs based on the 2-(m-methoxyphenyl)imidazole dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4613","4624","10.1039/c2dt32727a","","","0.71073","MoKα","","0.0705","0.0487","","","0.1109","0.1197","","","","","","0.916","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7022482","16.936","0.0004","12.3483","0.0008","20.2453","0.0007","90","","90","","90","","4233.9","0.3","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H16 Cu N4 O5 -","- C24 H16 Cu N4 O5 -","- C192 H128 Cu8 N32 O40 -","8","1","","Xiong, Zhi-Fang; Gao, Rui-Min; Xie, Zheng-Kun; Guo, Bei-Bei; Li, Li; Zhu, Yan-Yan; Li, Gang","Assembly of a series of MOFs based on the 2-(m-methoxyphenyl)imidazole dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4613","4624","10.1039/c2dt32727a","","","0.71073","MoKα","","0.0461","0.0376","","","0.0987","0.1056","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022483","19.014","0.002","21.245","0.002","25.136","0.003","90","","90","","90","","10153.7","1.9","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H32 Cd2 N8 O10 -","- C48 H32 Cd2 N8 O10 -","- C384 H256 Cd16 N64 O80 -","8","1","","Xiong, Zhi-Fang; Gao, Rui-Min; Xie, Zheng-Kun; Guo, Bei-Bei; Li, Li; Zhu, Yan-Yan; Li, Gang","Assembly of a series of MOFs based on the 2-(m-methoxyphenyl)imidazole dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4613","4624","10.1039/c2dt32727a","","","0.71073","MoKα","","0.1107","0.0676","","","0.1894","0.2096","","","","","","1.037","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022484","9.3619","0.0006","22.6503","0.0015","9.6061","0.0006","90","","94.871","0.001","90","","2029.6","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H32 Cd2 N8 O10 -","- C44 H32 Cd2 N8 O10 -","- C88 H64 Cd4 N16 O20 -","2","1","","Xiong, Zhi-Fang; Gao, Rui-Min; Xie, Zheng-Kun; Guo, Bei-Bei; Li, Li; Zhu, Yan-Yan; Li, Gang","Assembly of a series of MOFs based on the 2-(m-methoxyphenyl)imidazole dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4613","4624","10.1039/c2dt32727a","","","0.71073","MoKα","","0.0197","0.0188","","","0.0439","0.0443","","","","","","1.032","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022485","8.0394","0.0014","8.85","0.0015","9.4594","0.0016","90.93","0.002","97.192","0.002","102.019","0.002","652.47","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Co N2 O7 -","- C12 H10 Co N2 O7 -","- C24 H20 Co2 N4 O14 -","2","1","","Xiong, Zhi-Fang; Gao, Rui-Min; Xie, Zheng-Kun; Guo, Bei-Bei; Li, Li; Zhu, Yan-Yan; Li, Gang","Assembly of a series of MOFs based on the 2-(m-methoxyphenyl)imidazole dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4613","4624","10.1039/c2dt32727a","","","0.71073","MoKα","","0.0512","0.0376","","","0.0957","0.1025","","","","","","1.019","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022486","17.643","0.003","17.643","0.003","34.487","0.007","90","","90","","90","","10735","3","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C33 H19 F5 Ir N3 -","- C33 H19 F5 Ir N3 -","- C528 H304 F80 Ir16 N48 -","16","0.5","","Li, Liang; Wu, Feng; Zhang, Songlin; Wang, Dawei; Ding, Yuqiang; Zhu, Zhenzhong","A heteroleptic cyclometalated iridium(III) fluorophenylpyridine complex from partial defluorohydrogenation reaction: synthesis, photophysical properties and mechanistic insights.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4539","4543","10.1039/c2dt32800c","","","0.71073","MoKα","","0.081","0.0697","","","0.1576","0.1644","","","","","","1.116","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022487","6.4645","0.0011","20.057","0.003","12.863","0.002","90","","103.475","0.002","90","","1621.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 Cu2 N15 -","- C9 H13 Cu2 N15 -","- C36 H52 Cu8 N60 -","4","1","","Mukherjee, Sandip; Mukherjee, Partha Sarathi","Cu(II)-azide polynuclear complexes of Cu4 building clusters with Schiff-base co-ligands: synthesis, structures, magnetic behavior and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","4019","4030","10.1039/c2dt32802j","","","0.71073","MoKα","","0.0722","0.0479","","","0.0922","0.0998","","","","","","1.03","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022488","13.457","0.0017","11.9376","0.0007","13.4981","0.0009","90","","98.481","0.007","90","","2144.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cu4 N22 O6 -","- C28 H46 Cu4 N22 O6 -","- C56 H92 Cu8 N44 O12 -","2","0.5","","Mukherjee, Sandip; Mukherjee, Partha Sarathi","Cu(II)-azide polynuclear complexes of Cu4 building clusters with Schiff-base co-ligands: synthesis, structures, magnetic behavior and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","4019","4030","10.1039/c2dt32802j","","","0.71073","MoKα","","0.1009","0.059","","","0.1193","0.1397","","","","","","1.02","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022489","9.4131","0.0006","21.4937","0.001","18.211","0.0017","90","","98.342","0.007","90","","3645.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cu4 N22 O4 -","- C24 H34 Cu4 N22 O4 -","- C96 H136 Cu16 N88 O16 -","4","1","","Mukherjee, Sandip; Mukherjee, Partha Sarathi","Cu(II)-azide polynuclear complexes of Cu4 building clusters with Schiff-base co-ligands: synthesis, structures, magnetic behavior and DFT studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","4019","4030","10.1039/c2dt32802j","","","0.71073","MoKα","","0.1366","0.0692","","","0.1132","0.1397","","","","","","1.03","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022490","8.4632","0.0002","22.8818","0.0006","13.7328","0.0004","90","","91.7806","0.0013","90","","2658.12","0.12","150","2","150","2","","","","","","","Mohammed Rahman","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 B F4 N2 Ru -","- C29 H31 B F4 N2 Ru -","- C116 H124 B4 F16 N8 Ru4 -","4","1","","Bailey, Philip J.; Rahman, Mahmudur; Parsons, Simon; Azhar, Muhammad R.; White, Fraser J.","Metalloligands containing aminofulvene-aldiminate (AFA) ligands and their bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2879","2886","10.1039/c2dt32804f","","","0.71073","MoKα","","0.0953","0.0817","","","0.1726","0.1796","","","","","","1.171","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022491","14.3116","0.001","19.3121","0.0014","22.0786","0.0016","90","","90","","90","","6102.2","0.8","150","2","150","2","","","","","","","Muhammed Rizwan Azhar","7","P b c a","-P 2ac 2ab","61","","","","- C32 H35 F3 N2 O3 Ru S -","- C32 H35 F3 N2 O3 Ru S -","- C256 H280 F24 N16 O24 Ru8 S8 -","8","1","","Bailey, Philip J.; Rahman, Mahmudur; Parsons, Simon; Azhar, Muhammad R.; White, Fraser J.","Metalloligands containing aminofulvene-aldiminate (AFA) ligands and their bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2879","2886","10.1039/c2dt32804f","","","0.71073","MoKα","","0.0643","0.058","","","0.1351","0.1383","","","","","","1.218","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022492","15.1769","0.001","13.6304","0.0009","15.9647","0.0011","90","","109.47","0.001","90","","3113.7","0.4","150","2","150","2","","","","","","","MM Rahman","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H43 B2 F8 N2 Rh -","- C29 H43 B2 F8 N2 Rh -","- C116 H172 B8 F32 N8 Rh4 -","4","1","","Bailey, Philip J.; Rahman, Mahmudur; Parsons, Simon; Azhar, Muhammad R.; White, Fraser J.","Metalloligands containing aminofulvene-aldiminate (AFA) ligands and their bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2879","2886","10.1039/c2dt32804f","","","0.71073","MoKα","","0.0363","0.0318","","","0.0785","0.081","","","","","","1.041","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022493","10.6175","0.0005","16.2766","0.0009","11.6321","0.0006","90","","109.216","0.003","90","","1898.22","0.17","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 F3 N2 O3 S -","- C20 H17 F3 N2 O3 S -","- C80 H68 F12 N8 O12 S4 -","4","1","","Bailey, Philip J.; Rahman, Mahmudur; Parsons, Simon; Azhar, Muhammad R.; White, Fraser J.","Metalloligands containing aminofulvene-aldiminate (AFA) ligands and their bimetallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","8","2879","2886","10.1039/c2dt32804f","","","0.71073","MoKα","","0.1141","0.0601","","0.1794","0.142","0.1794","","","","","","0.7365","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022494","10.0879","0.0002","14.1955","0.0005","11.6037","0.0003","90","","113.101","0.002","90","","1528.44","0.08","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H5 F10 P -","- C15 H5 F10 P -","- C60 H20 F40 P4 -","4","1","","Stute, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Electronic control in frustrated Lewis pair chemistry: adduct formation of intramolecular FLP systems with -P(C(6)F(5))(2) Lewis base components.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4487","4499","10.1039/c2dt32806b","","","1.54178","CuKα","","0.0595","0.05","","","0.1334","0.1425","","","","","","1.048","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022495","9.4074","0.0002","15.6502","0.0006","22.7817","0.001","90","","96.343","0.002","90","","3333.6","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H11 B F20 N P -","- C32 H11 B F20 N P -","- C128 H44 B4 F80 N4 P4 -","4","1","","Stute, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Electronic control in frustrated Lewis pair chemistry: adduct formation of intramolecular FLP systems with -P(C(6)F(5))(2) Lewis base components.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4487","4499","10.1039/c2dt32806b","","","1.54178","CuKα","","0.0526","0.0422","","","0.1063","0.113","","","","","","1.052","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022496","10.7188","0.0003","12.7599","0.0006","13.1819","0.0005","78.178","0.004","78.512","0.003","80.597","0.003","1715.13","0.12","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H9 B F20 N P -","- C29 H9 B F20 N P -","- C58 H18 B2 F40 N2 P2 -","2","1","","Stute, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Electronic control in frustrated Lewis pair chemistry: adduct formation of intramolecular FLP systems with -P(C(6)F(5))(2) Lewis base components.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4487","4499","10.1039/c2dt32806b","","","1.54178","CuKα","","0.0449","0.0408","","","0.1085","0.1116","","","","","","1.024","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022497","27.428","0.0007","20.0877","0.0008","15.7738","0.0004","90","","124.926","0.002","90","","7125.5","0.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H21 B F20 N P -","- C34.5 H21 B F20 N P -","- C276 H168 B8 F160 N8 P8 -","8","1","","Stute, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Electronic control in frustrated Lewis pair chemistry: adduct formation of intramolecular FLP systems with -P(C(6)F(5))(2) Lewis base components.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4487","4499","10.1039/c2dt32806b","","","1.54178","CuKα","","0.0608","0.05","","","0.1266","0.1356","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022498","9.1649","0.0002","11.603","0.0002","16.2616","0.0004","75.183","0.001","75.375","0.001","85.283","0.002","1617.31","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H15 B F20 N P -","- C32 H15 B F20 N P -","- C64 H30 B2 F40 N2 P2 -","2","1","","Stute, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Electronic control in frustrated Lewis pair chemistry: adduct formation of intramolecular FLP systems with -P(C(6)F(5))(2) Lewis base components.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4487","4499","10.1039/c2dt32806b","","","0.71073","MoKα","","0.0552","0.0486","","","0.1141","0.12","","","","","","1.068","","","","has coordinates,has disorder","179929","2020-10-21","18:00:00",""
"7022499","10.7451","0.0003","24.4031","0.0008","14.3508","0.0006","90","","110.583","0.002","90","","3522.8","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H14 B F20 O P -","- C36 H14 B F20 O P -","- C144 H56 B4 F80 O4 P4 -","4","1","","Stute, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Electronic control in frustrated Lewis pair chemistry: adduct formation of intramolecular FLP systems with -P(C(6)F(5))(2) Lewis base components.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4487","4499","10.1039/c2dt32806b","","","1.54178","CuKα","","0.0699","0.0538","","","0.1307","0.1442","","","","","","1.073","","","","has coordinates","179929","2020-10-21","18:00:00",""
"7022500","10.9643","0.0008","17.5853","0.0009","18.1387","0.0015","90","","90.951","0.007","90","","3496.9","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H12 B F20 O P -","- C34 H12 B F20 O P -","- C136 H48 B4 F80 O4 P4 -","4","1","","Stute, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Electronic control in frustrated Lewis pair chemistry: adduct formation of intramolecular FLP systems with -P(C(6)F(5))(2) Lewis base components.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4487","4499","10.1039/c2dt32806b","","","1.54178","CuKα","","0.1278","0.0905","","","0.2536","0.2799","","","","","","1.092","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022501","12.635","0.0004","18.82","0.0007","12.7955","0.0004","90","","99.88","0.003","90","","2997.53","0.18","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H12 B F20 P -","- C32 H12 B F20 P -","- C128 H48 B4 F80 P4 -","4","1","","Stute, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Electronic control in frustrated Lewis pair chemistry: adduct formation of intramolecular FLP systems with -P(C(6)F(5))(2) Lewis base components.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4487","4499","10.1039/c2dt32806b","","","1.54178","CuKα","","0.0531","0.0419","","","0.0981","0.1055","","","","","","1.038","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022502","8.856","0.0004","12.784","0.0006","14.4856","0.0012","95.877","0.004","96.842","0.006","92.121","0.003","1617.74","0.17","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H12 B F20 O P -","- C34 H12 B F20 O P -","- C68 H24 B2 F40 O2 P2 -","2","1","","Stute, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Electronic control in frustrated Lewis pair chemistry: adduct formation of intramolecular FLP systems with -P(C(6)F(5))(2) Lewis base components.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4487","4499","10.1039/c2dt32806b","","","1.54178","CuKα","","0.0645","0.0443","","","0.0936","0.1079","","","","","","1.068","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022503","13.525","0.002","13.909","0.003","14.5825","0.0011","111.609","0.007","113.015","0.011","94.428","0.012","2267.7","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H23 B F20 O P -","- C45 H23 B F20 O P -","- C90 H46 B2 F40 O2 P2 -","2","1","","Stute, Annika; Kehr, Gerald; Daniliuc, Constantin G.; Fröhlich, Roland; Erker, Gerhard","Electronic control in frustrated Lewis pair chemistry: adduct formation of intramolecular FLP systems with -P(C(6)F(5))(2) Lewis base components.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4487","4499","10.1039/c2dt32806b","","","1.54178","CuKα","","0.0456","0.0412","","","0.1185","0.1227","","","","","","1.043","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022504","5.4755","0.0004","9.7344","0.0007","10.4118","0.0007","66.6","0.002","76.852","0.002","83.026","0.002","495.66","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Mn N8 O6 -","- C16 H20 Mn N8 O6 -","- C16 H20 Mn N8 O6 -","1","0.5","","Wang, Kun; Wang, Yan-Qin; Zhang, Xiu-Mei; Gao, En-Qing","Ferromagnetic interactions through double hydrogen bonding bridges in manganese(II) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4533","4538","10.1039/c2dt32826g","","","0.71073","MoKα","","0.0268","0.0254","","","0.0787","0.0824","","","","","","1.133","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022505","5.453","0.003","9.807","0.005","10.363","0.005","66.809","0.005","77.466","0.005","83.677","0.006","497.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Mn N4 O8 -","- C18 H20 Mn N4 O8 -","- C18 H20 Mn N4 O8 -","1","0.5","","Wang, Kun; Wang, Yan-Qin; Zhang, Xiu-Mei; Gao, En-Qing","Ferromagnetic interactions through double hydrogen bonding bridges in manganese(II) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4533","4538","10.1039/c2dt32826g","","","0.71073","MoKα","","0.0284","0.0266","","","0.0657","0.067","","","","","","1.039","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022506","5.5469","0.0018","10.583","0.003","12.227","0.003","53.692","0.017","69.966","0.011","81.833","0.009","541.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Mn N4 O6 S2 -","- C18 H20 Mn N4 O6 S2 -","- C18 H20 Mn N4 O6 S2 -","1","0.5","","Wang, Kun; Wang, Yan-Qin; Zhang, Xiu-Mei; Gao, En-Qing","Ferromagnetic interactions through double hydrogen bonding bridges in manganese(II) coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4533","4538","10.1039/c2dt32826g","","","0.71073","MoKα","","0.0291","0.0276","","","0.0746","0.0755","","","","","","1.126","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022507","12.031","0.003","24.184","0.005","14.84","0.003","90","","97.234","0.005","90","","4283.4","1.6","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H59 N4 O Si4 Y -","- C35 H59 N4 O Si4 Y -","- C140 H236 N16 O4 Si16 Y4 -","4","1","","Luo, Yunjie; Lei, Yinlin; Fan, Shimin; Wang, Yibin; Chen, Jue","Synthesis of mono-amidinate-ligated rare-earth-metal bis(silylamide) complexes and their reactivity with [Ph3C][B(C6F5)4], AlMe3 and isoprene.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","4040","4051","10.1039/c2dt32868b","","","0.71075","MoKα","","0.1023","0.0718","","","0.1828","0.2024","","","","","","1.066","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022508","21.1633","0.0016","12.3731","0.0009","27.746","0.002","90","","96.515","0.003","90","","7218.5","0.9","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C71 H77 B F20 N3 O3 Si2 Y -","- C71 H77 B F20 N3 O3 Si2 Y -","- C284 H308 B4 F80 N12 O12 Si8 Y4 -","4","1","","Luo, Yunjie; Lei, Yinlin; Fan, Shimin; Wang, Yibin; Chen, Jue","Synthesis of mono-amidinate-ligated rare-earth-metal bis(silylamide) complexes and their reactivity with [Ph3C][B(C6F5)4], AlMe3 and isoprene.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","4040","4051","10.1039/c2dt32868b","","","0.7107","MoKα","","0.1395","0.0976","","","0.1468","0.1608","","","","","","1.158","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022509","14.094","0.003","14.327","0.003","16.524","0.004","90","","98.951","0.006","90","","3296","1.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H47 Al2 N2 Y -","- C31 H47 Al2 N2 Y -","- C124 H188 Al8 N8 Y4 -","4","1","","Luo, Yunjie; Lei, Yinlin; Fan, Shimin; Wang, Yibin; Chen, Jue","Synthesis of mono-amidinate-ligated rare-earth-metal bis(silylamide) complexes and their reactivity with [Ph3C][B(C6F5)4], AlMe3 and isoprene.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","4040","4051","10.1039/c2dt32868b","","","0.71075","MoKα","","0.1116","0.0732","","","0.1568","0.1755","","","","","","1.107","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022510","10.4031","0.0011","12.5695","0.0013","12.6361","0.0013","65.033","0.002","70.612","0.002","84.392","0.002","1411.2","0.3","175","2","175","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H43 Cl5 F24 Ir2 N4 O9 P4 -","- C29 H43 Cl5 F24 Ir2 N4 O9 P4 -","- C29 H43 Cl5 F24 Ir2 N4 O9 P4 -","1","0.5","","Teets, Thomas S.; Nocera, Daniel G.","Acidolyis and oxygen atom transfer reactivity of a diiridium hydroperoxo complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3521","3527","10.1039/c2dt32887a","","","0.71073","MoKα","","0.0638","0.0521","","","0.1294","0.1362","","","","","","1.098","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022511","12.7559","0.0009","19.5938","0.0014","21.0181","0.0015","90","","97.988","0.001","90","","5202.2","0.6","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Cl4 F24 Ir2 N4 O8 P4 -","- C28 H40 Cl4 F24 Ir2 N4 O8 P4 -","- C112 H160 Cl16 F96 Ir8 N16 O32 P16 -","4","1","","Teets, Thomas S.; Nocera, Daniel G.","Acidolyis and oxygen atom transfer reactivity of a diiridium hydroperoxo complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","10","3521","3527","10.1039/c2dt32887a","","","0.71073","MoKα","","0.0483","0.0318","","","0.0718","0.0811","","","","","","1.04","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022512","15.9593","0.0006","18.1543","0.0006","21.9026","0.0006","67.58","0.003","85.727","0.002","76.999","0.003","5715.4","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H58 Fe N4 -","- C76 H57.5 Fe N4 -","- C304 H230 Fe4 N16 -","4","2","","Sharma, Rekha; Gautam, Prabhat; Mobin, Shaikh M.; Misra, Rajneesh","β-Substituted ferrocenyl porphyrins: synthesis, structure, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5539","5545","10.1039/c3dt00003f","","","0.71073","MoKα","","0.1051","0.0615","","","0.1431","0.1741","","","","","","1.024","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022513","15.819","0.003","13.999","0.003","16.625","0.003","90","","109.76","0.03","90","","3464.8","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H41 Cl2 Co N3 -","- C40 H41 Cl2 Co N3 -","- C160 H164 Cl8 Co4 N12 -","4","1","","Wang, Shaoli; Li, Baixiang; Liang, Tongling; Redshaw, Carl; Li, Yuesheng; Sun, Wen-Hua","Synthesis, characterization and catalytic behavior toward ethylene of 2-[1-(4,6-dimethyl-2-benzhydrylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridylmetal (iron or cobalt) chlorides.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9188","9197","10.1039/c3dt00011g","","","0.71073","MoKα","","","0.0861","","","0.2036","0.2296","","","","","","1.249","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022514","11.796","0.002","20.837","0.004","17.622","0.004","90","","106.02","0.03","90","","4163.2","1.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H92 Cl10 Co2 N6 O0 -","- C85 H92 Cl10 Co2 N6 -","- C170 H184 Cl20 Co4 N12 -","2","0.5","","Wang, Shaoli; Li, Baixiang; Liang, Tongling; Redshaw, Carl; Li, Yuesheng; Sun, Wen-Hua","Synthesis, characterization and catalytic behavior toward ethylene of 2-[1-(4,6-dimethyl-2-benzhydrylphenylimino)ethyl]-6-[1-(arylimino)ethyl]pyridylmetal (iron or cobalt) chlorides.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9188","9197","10.1039/c3dt00011g","","","0.71073","MoKα","","0.1969","0.1505","","","0.2414","0.2615","","","","","","1.212","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022515","10.048","0.004","36.093","0.013","12.195","0.004","90","","107.66","0.005","90","","4214","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H63 Dy2 N13 -","- C36 H63 Dy2 N13 -","- C144 H252 Dy8 N52 -","4","1","","Zhang, Jie; Yi, Weiyin; Chen, Zhenxia; Zhou, Xigeng","Room temperature C-N bond cleavage of anionic guanidinate ligand in rare-earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5826","5831","10.1039/c3dt00014a","","","0.71073","MoKα","","0.0932","0.0641","","","0.1114","0.1219","","","","","","1.054","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022516","31.01","0.012","13.292","0.005","19.176","0.007","90","","101.978","0.006","90","","7732","5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H120 N31 Y3 -","- C51 H120 N31 Y3 -","- C204 H480 N124 Y12 -","4","0.5","","Zhang, Jie; Yi, Weiyin; Chen, Zhenxia; Zhou, Xigeng","Room temperature C-N bond cleavage of anionic guanidinate ligand in rare-earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5826","5831","10.1039/c3dt00014a","","","0.71073","MoKα","","0.1375","0.0475","","","0.0777","0.0846","","","","","","0.976","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022517","15.003","0.006","12.179","0.005","21.055","0.008","90","","95.119","0.005","90","","3832","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 N10 Y2 -","- C36 H56 N10 Y2 -","- C144 H224 N40 Y8 -","4","1","","Zhang, Jie; Yi, Weiyin; Chen, Zhenxia; Zhou, Xigeng","Room temperature C-N bond cleavage of anionic guanidinate ligand in rare-earth metal complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5826","5831","10.1039/c3dt00014a","","","0.71073","MoKα","","0.0833","0.0414","","","0.064","0.0683","","","","","","0.983","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022518","14.159","0.002","10.235","0.004","14.801","0.002","90","","92.574","0.007","90","","2142.8","0.9","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H73 Al N2 O2 -","- C44 H73 Al N2 O2 -","- C88 H146 Al2 N4 O4 -","2","1","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Aluminium salalen complexes based on 1,2-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9279","9285","10.1039/c3dt00021d","","","0.71073","MoKα","","0.0691","0.0457","","","0.0993","0.1097","","","","","","1.033","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022519","11.873","0.0006","10.656","0.0007","28.884","0.0018","90","","94.668","0.005","90","","3642.2","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H59 Al N2 O2 -","- C38 H59 Al N2 O2 -","- C152 H236 Al4 N8 O8 -","4","1","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Aluminium salalen complexes based on 1,2-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9279","9285","10.1039/c3dt00021d","","","0.71073","MoKα","","0.2204","0.1147","","","0.2056","0.245","","","","","","1.101","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022520","25.796","0.0003","12.557","0.0001","21.794","0.0002","90","","100.521","0.001","90","","6940.84","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.5 H51 Al N2 O3 -","- C39.5 H51 Al N2 O3 -","- C316 H408 Al8 N16 O24 -","8","1","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Aluminium salalen complexes based on 1,2-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9279","9285","10.1039/c3dt00021d","","","0.71073","MoKα","","0.0634","0.0422","","","0.0903","0.1006","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022521","10.318","0.005","12.1","0.005","12.915","0.005","105.648","0.005","98.516","0.005","92.891","0.005","1528.6","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H23 F6 N5 O6 Pt S2 -","- C28 H23 F6 N5 O6 Pt S2 -","- C56 H46 F12 N10 O12 Pt2 S4 -","2","1","","Shaira, A.; Reddy, D.; Jaganyi, D.","A kinetic and mechanistic study into the substitution behaviour of platinum(II) polypyridyl complexes with a series of azole ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8426","8436","10.1039/c3dt00022b","","","0.71073","MoKα","","0.049","0.0383","","","0.0855","0.0893","","","","","","0.977","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022522","10.642","0.002","20.891","0.004","13.085","0.003","90","","97.26","0.03","90","","2885.8","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Br2 N2 Ni -","- C32 H32 Br2 N2 Ni -","- C128 H128 Br8 N8 Ni4 -","4","1","","Kong, Shaoliang; Song, Kuifeng; Liang, Tongling; Guo, Cun-Yue; Sun, Wen-Hua; Redshaw, Carl","Methylene-bridged bimetallic α-diimino nickel(II) complexes: synthesis and high efficiency in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9176","9187","10.1039/c3dt00023k","","","0.71073","MoKα","","","0.0666","","","0.1456","0.1553","","","","","","1.113","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022523","10.69","0.006","15.864","0.008","21.146","0.009","73.538","0.019","80.11","0.02","86.028","0.017","3387","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H64 Br4 N4 Ni2 -","- C65 H64 Br4 N4 Ni2 -","- C130 H128 Br8 N8 Ni4 -","2","1","","Kong, Shaoliang; Song, Kuifeng; Liang, Tongling; Guo, Cun-Yue; Sun, Wen-Hua; Redshaw, Carl","Methylene-bridged bimetallic α-diimino nickel(II) complexes: synthesis and high efficiency in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9176","9187","10.1039/c3dt00023k","","","0.71073","MoKα","","0.177","0.109","","","0.2659","0.3112","","","","","","1.036","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022524","20.688","0.004","19.271","0.004","21.75","0.004","90","","112.01","0.03","90","","8039","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C73 H80 Br4 N4 Ni2 -","- C73 H80 Br4 N4 Ni2 -","- C292 H320 Br16 N16 Ni8 -","4","1","","Kong, Shaoliang; Song, Kuifeng; Liang, Tongling; Guo, Cun-Yue; Sun, Wen-Hua; Redshaw, Carl","Methylene-bridged bimetallic α-diimino nickel(II) complexes: synthesis and high efficiency in ethylene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9176","9187","10.1039/c3dt00023k","","","0.71073","MoKα","","0.1368","0.0908","","","0.2258","0.2525","","","","","","1.075","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022525","5.2848","0.0019","15.464","0.005","8.436","0.003","90","","90.04","0.006","90","","689.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ni O8 P2 Pb2 -","- Ni O8 P2 Pb2 -","- Ni4 O32 P8 Pb8 -","4","1","","He, Zhangzhen; Zhang, Weilong; Xia, Tianlong; Yu, Weiqiang; Cheng, Wendan","Crystal structure and magnetic properties of Pb2Ni(PO4)2.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5480","5484","10.1039/c3dt00030c","","","0.71073","MoKα","","0.0433","0.04","","","0.108","0.1104","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022526","10.107","0.002","11.994","0.002","18.948","0.004","79.98","0.03","89.67","0.03","70.24","0.03","2125.2","0.9","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H59 B Ca N2 O2 P2 Si2 -","- C39 H59 B Ca N2 O2 P2 Si2 -","- C78 H118 B2 Ca2 N4 O4 P4 Si4 -","2","1","","Kuzdrowska, Magdalena; Annunziata, Liana; Marks, Sebastian; Schmid, Matthias; Jaffredo, Cedric G.; Roesky, Peter W.; Guillaume, Sophie M.; Maron, Laurent","Organometallic calcium and strontium borohydrides as initiators for the polymerization of ε-caprolactone and L-lactide: combined experimental and computational investigations.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9352","9360","10.1039/c3dt00037k","","","0.71073","MoKα","","0.1363","0.0769","","","0.1753","0.1963","","","","","","0.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022527","31.3724","0.0016","11.4673","0.0004","17.589","0.0009","90","","123.5","0.003","90","","5276.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 Cl2 O2 P2 Ru -","- C64 H54 Cl2 O2 P2 Ru -","- C256 H216 Cl8 O8 P8 Ru4 -","4","0.5","","Biswas, Manas Kumar; Patra, Sarat Chandra; Maity, Amarendra Nath; Ke, Shyue-Chu; Weyhermüller, Thomas; Ghosh, Prasanta","9,10-phenanthrenesemiquinone radical complexes of ruthenium(III), osmium(III) and rhodium(III) and redox series.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6538","6552","10.1039/c3dt00038a","","","0.71073","MoKα","","0.0475","0.0403","","","0.1178","0.1259","","","","","","1.087","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022528","23.5613","0.0009","11.6716","0.0014","17.879","0.002","90","","116.797","0.007","90","","4388.7","0.8","100","2","100","2","","","","","","","dichloromethane, hexane","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H40 Br2 Cl2 O2 Os P2 -","- C51 H40 Br2 Cl2 O2 Os P2 -","- C204 H160 Br8 Cl8 O8 Os4 P8 -","4","0.5","","Biswas, Manas Kumar; Patra, Sarat Chandra; Maity, Amarendra Nath; Ke, Shyue-Chu; Weyhermüller, Thomas; Ghosh, Prasanta","9,10-phenanthrenesemiquinone radical complexes of ruthenium(III), osmium(III) and rhodium(III) and redox series.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6538","6552","10.1039/c3dt00038a","","","0.71073","MoKα","","0.0334","0.0296","","","0.0704","0.0718","","","","","","1.226","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022529","13.243","0.002","14.0856","0.0012","25.252","0.004","90","","90.39","0.011","90","","4710.3","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C51 H38 Br I3 O3 Os P2 -","- C50.8887 H38 Br I3 O2.8887 Os P2 -","- C203.555 H152 Br4 I12 O11.5548 Os4 P8 -","4","1","","Biswas, Manas Kumar; Patra, Sarat Chandra; Maity, Amarendra Nath; Ke, Shyue-Chu; Weyhermüller, Thomas; Ghosh, Prasanta","9,10-phenanthrenesemiquinone radical complexes of ruthenium(III), osmium(III) and rhodium(III) and redox series.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6538","6552","10.1039/c3dt00038a","","","0.71073","MoKα","","0.0561","0.0405","","","0.0962","0.1056","","","","","","1.069","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022530","12.186","0.005","11.131","0.004","6.739","0.003","90","","90","","90","","914.1","0.6","173","1","173","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C6 H18 Al N -","- C6 H18 Al N -","- C24 H72 Al4 N4 -","4","0.5","","Humphries, Terry D.; Munroe, Keelie T.; Decken, Andreas; McGrady, G. Sean","Lewis base complexes of AlH3: structural determination of monomeric and polymeric adducts by X-ray crystallography and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6953","6964","10.1039/c3dt00046j","","x-ray","0.71073","MoKα","","0.0436","0.0322","","","0.083","0.0953","","","","","","1.129","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022531","6.318","0.003","8.57","0.004","6.811","0.004","90","","115.45","0.006","90","","333","0.3","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 Al O2 -","- C4 H11 Al O2 -","- C8 H22 Al2 O4 -","2","0.5","","Humphries, Terry D.; Munroe, Keelie T.; Decken, Andreas; McGrady, G. Sean","Lewis base complexes of AlH3: structural determination of monomeric and polymeric adducts by X-ray crystallography and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6953","6964","10.1039/c3dt00046j","","x-ray","0.71073","MoKα","","0.0472","0.0387","","","0.102","0.1097","","","","","","1.156","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022532","6.7718","0.0012","6.7718","0.0012","40.619","0.007","90","","90","","90","","1862.7","0.6","173","1","173","1","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C18 H28.9 Al Cl0.1 N2 -","- C18 H28.9 Al Cl0.1 N2 -","- C72 H115.6 Al4 Cl0.4 N8 -","4","0.5","","Humphries, Terry D.; Munroe, Keelie T.; Decken, Andreas; McGrady, G. Sean","Lewis base complexes of AlH3: structural determination of monomeric and polymeric adducts by X-ray crystallography and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6953","6964","10.1039/c3dt00046j","","x-ray","0.71073","MoKα","","0.0399","0.0316","","","0.0796","0.0867","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022533","9.3788","0.0018","10.114","0.002","11.122","0.002","90","","111.542","0.002","90","","981.3","0.3","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H19 Al N2 -","- C6 H19 Al N2 -","- C24 H76 Al4 N8 -","4","1","","Humphries, Terry D.; Munroe, Keelie T.; Decken, Andreas; McGrady, G. Sean","Lewis base complexes of AlH3: structural determination of monomeric and polymeric adducts by X-ray crystallography and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6953","6964","10.1039/c3dt00046j","","x-ray","0.71073","MoKα","","0.0603","0.0363","","","0.0829","0.1023","","","","","","1.127","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022534","12.1703","0.0016","12.4077","0.0016","14.2504","0.0019","90","","90","","90","","2151.9","0.5","173","1","173","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H21 Al N2 -","- C7 H21 Al N2 -","- C56 H168 Al8 N16 -","8","1","","Humphries, Terry D.; Munroe, Keelie T.; Decken, Andreas; McGrady, G. Sean","Lewis base complexes of AlH3: structural determination of monomeric and polymeric adducts by X-ray crystallography and DFT calculations.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6953","6964","10.1039/c3dt00046j","","x-ray","0.71073","MoKα","","0.0445","0.0341","","","0.0925","0.1059","","","","","","1.081","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022535","13.319","0.0012","16.4691","0.0014","8.3323","0.0011","90","","106.735","0.013","90","","1750.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N3 O9 Pb2 S3 -","- C10 H6 N3 O9 Pb2 S3 -","- C40 H24 N12 O36 Pb8 S12 -","4","1","","Gong, Yun; Jiang, Peng-Gang; Wang, Ying-Xia; Wu, Tao; Lin, Jian-Hua","Metal-organic frameworks based on 1,3,5-triazine-2,4,6-triyltrithio-triacetate: structures, topologies, photoluminescence and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7196","7203","10.1039/c3dt00054k","","","0.71073","MoKα","","0.0446","0.0286","","","0.0537","0.0554","","","","","","0.89","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022536","8.2682","0.0004","9.0948","0.0004","10.6166","0.0005","85.777","0.004","78.575","0.004","87.068","0.004","779.85","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 N6 O14 Pb3 S6 -","- C18 H12 N6 O14 Pb3 S6 -","- C18 H12 N6 O14 Pb3 S6 -","1","0.5","","Gong, Yun; Jiang, Peng-Gang; Wang, Ying-Xia; Wu, Tao; Lin, Jian-Hua","Metal-organic frameworks based on 1,3,5-triazine-2,4,6-triyltrithio-triacetate: structures, topologies, photoluminescence and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7196","7203","10.1039/c3dt00054k","","","0.71073","MoKα","","0.0382","0.031","","","0.0794","0.0823","","","","","","1.046","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022537","31.068","0.003","13.517","0.0012","20.8591","0.0018","90","","125.962","0.002","90","","7090.2","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C108 H134 N24 Ni6 O43 S12 -","- C108 H134 N24 Ni6 O43 S12 -","- C216 H268 N48 Ni12 O86 S24 -","2","0.25","","Gong, Yun; Jiang, Peng-Gang; Wang, Ying-Xia; Wu, Tao; Lin, Jian-Hua","Metal-organic frameworks based on 1,3,5-triazine-2,4,6-triyltrithio-triacetate: structures, topologies, photoluminescence and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7196","7203","10.1039/c3dt00054k","","","0.71073","MoKα","","0.0752","0.0537","","","0.1374","0.1556","","","","","","1.083","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022538","13.4782","0.0004","14.0136","0.0004","15.7024","0.0004","69.421","0.001","79.184","0.001","63.089","0.001","2474.46","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H84 Dy4 N12 O12 -","- C96 H84 Dy4 N12 O12 -","- C96 H84 Dy4 N12 O12 -","1","0.5","","Koo, Bong Ho; Lim, Kwang Soo; Ryu, Dae Won; Lee, Woo Ram; Koh, Eui Kwan; Hong, Chang Seop","Synthesis, structures and magnetic characterizations of isostructural tetranuclear Ln4 clusters (Ln = Dy, Ho, and Eu).","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7204","7209","10.1039/c3dt00056g","","","0.71073","MoKα","","0.0452","0.0337","","","0.0737","0.0769","","","","","","1.053","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022539","13.4575","0.0004","13.9789","0.0004","15.7353","0.0005","68.973","0.001","78.816","0.001","63.323","0.001","2466.99","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H84 Ho4 N12 O12 -","- C96 H84 Ho4 N12 O12 -","- C96 H84 Ho4 N12 O12 -","1","0.5","","Koo, Bong Ho; Lim, Kwang Soo; Ryu, Dae Won; Lee, Woo Ram; Koh, Eui Kwan; Hong, Chang Seop","Synthesis, structures and magnetic characterizations of isostructural tetranuclear Ln4 clusters (Ln = Dy, Ho, and Eu).","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7204","7209","10.1039/c3dt00056g","","","0.71073","MoKα","","0.0386","0.03","","","0.0723","0.0751","","","","","","1.043","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022540","13.5175","0.0003","14.1326","0.0003","15.6344","0.0003","69.855","0.001","79.215","0.001","62.798","0.001","2492.34","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H84 Eu4 N12 O12 -","- C96 H84 Eu4 N12 O12 -","- C96 H84 Eu4 N12 O12 -","1","0.5","","Koo, Bong Ho; Lim, Kwang Soo; Ryu, Dae Won; Lee, Woo Ram; Koh, Eui Kwan; Hong, Chang Seop","Synthesis, structures and magnetic characterizations of isostructural tetranuclear Ln4 clusters (Ln = Dy, Ho, and Eu).","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7204","7209","10.1039/c3dt00056g","","","0.71073","MoKα","","0.0727","0.0432","","","0.0791","0.0861","","","","","","0.948","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022541","9.778","0.002","9.6717","0.0019","22.946","0.005","90","","94.6","0.03","90","","2163","0.8","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H74 Ca O6 -","- C44 H74 Ca O6 -","- C88 H148 Ca2 O12 -","2","0.5","","Clark, Lawrence; Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Mountford, Philip; Townley, Josh P.; Wang, Jun","Synthesis and structures of calcium and strontium 2,4-di-tert-butylphenolates and their reactivity towards the amine co-initiated ring-opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9294","9312","10.1039/c3dt00065f","","","0.71073","MoKα","","0.0646","0.0477","","","0.123","0.1345","","","","","","1.05","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022542","24.136","0.003","13.9781","0.0014","25.508","0.004","90","","112.206","0.004","90","","7967.5","1.8","123","1","123","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C76 H134 Ca2 O14 -","- C76 H134 Ca2 O14 -","- C304 H536 Ca8 O56 -","4","0.5","","Clark, Lawrence; Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Mountford, Philip; Townley, Josh P.; Wang, Jun","Synthesis and structures of calcium and strontium 2,4-di-tert-butylphenolates and their reactivity towards the amine co-initiated ring-opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9294","9312","10.1039/c3dt00065f","","","0.71073","MoKα","","0.1104","0.0719","","","0.176","0.1994","","","","","","1.069","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022543","21.738","0.003","21.738","0.003","40.897","0.008","90","","90","","120","","16736","5","173","2","173","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C114 H180 O12 Sr3 -","- C114 H180 O12 Sr3 -","- C684 H1080 O72 Sr18 -","6","0.166667","","Clark, Lawrence; Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Mountford, Philip; Townley, Josh P.; Wang, Jun","Synthesis and structures of calcium and strontium 2,4-di-tert-butylphenolates and their reactivity towards the amine co-initiated ring-opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9294","9312","10.1039/c3dt00065f","","","0.71073","Synchrotron","","0.0539","0.0521","","","0.1238","0.125","","","","","","1.101","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022544","16.312","0.003","25.924","0.005","16.982","0.003","90","","96.27","0.03","90","","7138","2","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H114 O10 Sr2 -","- C68 H114 O10 Sr2 -","- C272 H456 O40 Sr8 -","4","1","","Clark, Lawrence; Deacon, Glen B.; Forsyth, Craig M.; Junk, Peter C.; Mountford, Philip; Townley, Josh P.; Wang, Jun","Synthesis and structures of calcium and strontium 2,4-di-tert-butylphenolates and their reactivity towards the amine co-initiated ring-opening polymerisation of rac-lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9294","9312","10.1039/c3dt00065f","","","0.71073","MoKα","","0.109","0.056","","","0.1197","0.1373","","","","","","1.02","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022545","9.3995","0.0013","16.1739","0.0017","10.5602","0.0012","90","","97.94","0.01","90","","1590","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Au2 Cl6 N2 S2 -","- C6 H4 Au2 Cl6 N2 S2 -","- C24 H16 Au8 Cl24 N8 S8 -","4","0.5","","Notash, Behrouz; Amani, Vahid; Safari, Nasser; Ostad, S. Nasser; Abedi, Anita; Dehnavi, Marzieh Zare","The influence of steric effects on intramolecular secondary bonding interactions; cytotoxicity in gold(III) bithiazole complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6852","6858","10.1039/c3dt00073g","","","0.71073","MoKα","","0.0329","0.0276","","","0.0764","0.0805","","","","","","0.998","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022546","7.6824","0.0019","9.784","0.003","18.455","0.005","90","","94.143","0.004","90","","1383.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Au Cl3 N2 S2 -","- C8 H8 Au Cl3 N2 S2 -","- C32 H32 Au4 Cl12 N8 S8 -","4","1","","Notash, Behrouz; Amani, Vahid; Safari, Nasser; Ostad, S. Nasser; Abedi, Anita; Dehnavi, Marzieh Zare","The influence of steric effects on intramolecular secondary bonding interactions; cytotoxicity in gold(III) bithiazole complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6852","6858","10.1039/c3dt00073g","","","0.71073","MoKα","","0.046","0.0445","","","0.1344","0.1356","","","","","","1.022","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022547","21.898","0.003","22.149","0.003","24.663","0.003","109.978","0.007","109.835","0.007","104.489","0.007","9626","3","90","2","100","2","","","","","","","","5","P -1","-P 1","2","TMOF-1","","","- C168 H166 N12 O44 Zn8 -","- C168.261 H166.914 N12.087 O44.087 Zn8 -","- C336.522 H333.828 N24.174 O88.174 Zn16 -","2","1","","Crane, Angela K.; Patrick, Brian O.; MacLachlan, Mark J.","New metal-organic frameworks from triptycene: structural diversity from bulky bridges.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8026","8033","10.1039/c3dt00079f","","","0.71073","MoKα","","0.1176","0.0621","","","0.1774","0.2066","","","","","","1.043","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022548","19.556","0.005","16.33","0.005","25.573","0.005","90","0.005","91.097","0.005","90","0.005","8165","4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TMOF-2a","","","- C87 H84 N7 O20 Zn4 -","- C87 H84 N7 O20 Zn4 -","- C348 H336 N28 O80 Zn16 -","4","1","","Crane, Angela K.; Patrick, Brian O.; MacLachlan, Mark J.","New metal-organic frameworks from triptycene: structural diversity from bulky bridges.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8026","8033","10.1039/c3dt00079f","","","0.71069","MoKα","","0.2599","0.1489","","","0.2771","0.3555","","","","","","1.11","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022549","23.31","0.002","15.3407","0.0015","23.684","0.002","90","","113.845","0.003","90","","7746.3","1.2","90","2","90","2","","","","","","","","5","P 1 21 1","P 2yb","4","TMOF-2b","","","- C73 H52.25 N2.25 O15.25 Zn4 -","- C72.945 H52.205 N2.315 O15.315 Zn4 -","- C291.78 H208.82 N9.26 O61.26 Zn16 -","4","2","","Crane, Angela K.; Patrick, Brian O.; MacLachlan, Mark J.","New metal-organic frameworks from triptycene: structural diversity from bulky bridges.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8026","8033","10.1039/c3dt00079f","","","0.71073","MoKα","","0.0946","0.075","","","0.2051","0.2219","","","","","","1.032","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022550","25.502","0.0018","25.502","0.0018","50.469","0.004","90","","90","","90","","32823","4","90","2","90","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","TMOF-2c","","","- C76.5 H60.19 N3.5 O16.5 Zn4 -","- C76.5 H60.2025 N3.5 O16.5 Zn4 -","- C1224 H963.24 N56 O264 Zn64 -","16","2","","Crane, Angela K.; Patrick, Brian O.; MacLachlan, Mark J.","New metal-organic frameworks from triptycene: structural diversity from bulky bridges.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8026","8033","10.1039/c3dt00079f","","","1.54178","CuKα","","0.0894","0.0826","","","0.2283","0.2368","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022551","17.4911","0.0018","14.3761","0.0014","17.6688","0.0019","90","","90","","90","","4442.9","0.8","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H52 Br3 N2 Ni P -","- C45 H46 Br3 N2 Ni P -","- C180 H184 Br12 N8 Ni4 P4 -","4","1","","Xu, Yan-Chao; Zhang, Jie; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Ionic Ni(II) complexes containing a triphenylphosphine ligand and an imidazolium cation: synthesis, structures and catalysis for aryl Grignard cross-coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8437","8445","10.1039/c3dt00086a","","","0.71075","MoKα","","0.0828","0.0651","","","0.1601","0.1732","","","","","","1.092","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022552","16.0114","0.0005","9.7678","0.0008","19.4056","0.0003","90","","91.043","0.011","90","","3034.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Br3 N2 Ni P -","- C27 H32 Br3 N2 Ni P -","- C108 H128 Br12 N8 Ni4 P4 -","4","1","","Xu, Yan-Chao; Zhang, Jie; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Ionic Ni(II) complexes containing a triphenylphosphine ligand and an imidazolium cation: synthesis, structures and catalysis for aryl Grignard cross-coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8437","8445","10.1039/c3dt00086a","","","0.71075","MoKα","","0.1069","0.0736","","","0.1837","0.2047","","","","","","1.087","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022553","15.958","0.004","9.663","0.002","19.083","0.004","90","","90.547","0.004","90","","2942.5","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H32 Cl3 N2 Ni P -","- C27 H32 Cl3 N2 Ni P -","- C108 H128 Cl12 N8 Ni4 P4 -","4","1","","Xu, Yan-Chao; Zhang, Jie; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Ionic Ni(II) complexes containing a triphenylphosphine ligand and an imidazolium cation: synthesis, structures and catalysis for aryl Grignard cross-coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8437","8445","10.1039/c3dt00086a","","","0.7107","MoKα","","0.1044","0.0558","","","0.1357","0.1651","","","","","","0.936","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022554","17.27","0.007","14.224","0.005","17.322","0.007","90","","90","","90","","4255","3","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C45 H52 Cl3 N2 Ni P -","- C45 H41 Cl3 N2 Ni P -","- C180 H164 Cl12 N8 Ni4 P4 -","4","1","","Xu, Yan-Chao; Zhang, Jie; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Ionic Ni(II) complexes containing a triphenylphosphine ligand and an imidazolium cation: synthesis, structures and catalysis for aryl Grignard cross-coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8437","8445","10.1039/c3dt00086a","","","0.71075","MoKα","","0.0592","0.0531","","","0.1322","0.1487","","","","","","1.114","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022555","17.9775","0.0015","21.8535","0.0018","24.415","0.002","105.483","0.002","95.76","0.002","103.275","0.002","8862.2","1.3","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C142.65 H116.31 B8 Cl19.31 Co4 F32 N25 O17 S8 -","- C141.655 H114.31 B8 Cl17.31 Co4 F32 N25 O17 S8 -","- C283.31 H228.62 B16 Cl34.62 Co8 F64 N50 O34 S16 -","2","1","","Bullock, Samantha J.; Harding, Lindsay P.; Moore, Michelle P.; Mills, Andrew; Piela, Sean A. F.; Rice, Craig R.; Towns-Andrews, Liz; Whitehead, Martina","Synthesis of ligands containing N-oxide donor atoms and their assembly into metallosupramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5805","5811","10.1039/c3dt00090g","","","0.71073","MoKα","","0.1574","0.0925","","","0.2724","0.3036","","","","","","1.071","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022556","12.0799","0.0012","14.734","0.0015","17.2067","0.0017","95.609","0.002","94.864","0.002","90.453","0.002","3036.5","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55.38 H37.83 Cl4.6 Cu2 N11.08 O20.16 S4 -","- C55.378 H37.836 Cl4.596 Cu2 N11.08 O20.16 S4 -","- C110.756 H75.672 Cl9.192 Cu4 N22.16 O40.32 S8 -","2","1","","Bullock, Samantha J.; Harding, Lindsay P.; Moore, Michelle P.; Mills, Andrew; Piela, Sean A. F.; Rice, Craig R.; Towns-Andrews, Liz; Whitehead, Martina","Synthesis of ligands containing N-oxide donor atoms and their assembly into metallosupramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5805","5811","10.1039/c3dt00090g","","","0.71073","MoKα","","0.0654","0.0453","","","0.1073","0.1217","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022557","9.4086","0.0008","16.9828","0.0014","18.2559","0.0016","67.07","0.002","82.993","0.002","74.439","0.002","2587.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H29 Cl6 Cu2 N9 O27 S2 -","- C38 H29 Cl6 Cu2 N9 O27 S2 -","- C76 H58 Cl12 Cu4 N18 O54 S4 -","2","1","","Bullock, Samantha J.; Harding, Lindsay P.; Moore, Michelle P.; Mills, Andrew; Piela, Sean A. F.; Rice, Craig R.; Towns-Andrews, Liz; Whitehead, Martina","Synthesis of ligands containing N-oxide donor atoms and their assembly into metallosupramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5805","5811","10.1039/c3dt00090g","","","0.71073","MoKα","","0.1326","0.0581","","","0.103","0.1364","","","","","","0.986","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022558","10.7357","0.0005","13.4575","0.0006","23.2619","0.0011","82.993","0.001","78.839","0.001","82.371","0.001","3252","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C109 H78 Cl8 N29 Ni4 O51 S8 -","- C109 H78 Cl8 N29 Ni4 O51 S8 -","- C109 H78 Cl8 N29 Ni4 O51 S8 -","1","0.5","","Bullock, Samantha J.; Harding, Lindsay P.; Moore, Michelle P.; Mills, Andrew; Piela, Sean A. F.; Rice, Craig R.; Towns-Andrews, Liz; Whitehead, Martina","Synthesis of ligands containing N-oxide donor atoms and their assembly into metallosupramolecular structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5805","5811","10.1039/c3dt00090g","","","0.71073","MoKα","","0.1322","0.0641","","","0.1483","0.1773","","","","","","1.036","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022559","9.685","0.004","11.135","0.005","15.11","0.007","89.311","0.007","80.685","0.007","77.774","0.007","1571.1","1.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 B P -","- C18 H18 B P -","- C72 H72 B4 P4 -","4","2","","Ghanta, Sekher Reddy; Rao, Muddamarri Hanumantha; Muralidharan, Krishnamurthi","Single-pot synthesis of zinc nanoparticles, borane (BH3) and closo-dodecaborate (B12H12)(2-) using LiBH4 under mild conditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8420","8425","10.1039/c3dt00092c","","","0.71073","MoKα","","0.0982","0.0795","","","0.2007","0.2179","","","","","","1.025","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022560","12.1156","0.0007","12.9796","0.0008","20.8875","0.0013","84.386","0.003","88.395","0.003","77.233","0.003","3188","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H32 Al2 Br F30 O2 P -","- C67 H32 Al2 Br F30 O2 P -","- C134 H64 Al4 Br2 F60 O4 P2 -","2","1","","Ménard, Gabriel; Stephan, Douglas W.","CO2 reduction via aluminum complexes of ammonia boranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5447","5453","10.1039/c3dt00098b","","","0.71073","MoKα","","0.0974","0.0712","","","0.197","0.2163","","","","","","1.087","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022561","13.7292","0.0011","10.3051","0.0009","16.6848","0.0014","90","","108.256","0.004","90","","2241.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H12 Al B Br3 N -","- C3 H12 Al B Br3 N -","- C24 H96 Al8 B8 Br24 N8 -","8","2","","Ménard, Gabriel; Stephan, Douglas W.","CO2 reduction via aluminum complexes of ammonia boranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5447","5453","10.1039/c3dt00098b","","","0.71073","MoKα","","0.0718","0.0376","","","0.0784","0.0882","","","","","","1.008","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022562","10.4136","0.0006","10.9685","0.0006","12.1639","0.0007","110.843","0.003","111.842","0.003","94.792","0.003","1167.31","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H9 Al B F15 N -","- C21 H12 Al B F15 N -","- C42 H24 Al2 B2 F30 N2 -","2","1","","Ménard, Gabriel; Stephan, Douglas W.","CO2 reduction via aluminum complexes of ammonia boranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5447","5453","10.1039/c3dt00098b","","","0.71073","MoKα","","0.0552","0.0383","","","0.124","0.1417","","","","","","1.025","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022563","9.9492","0.0014","12.0774","0.0018","17.098","0.003","90","","98.863","0.006","90","","2030","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H3 Al B F15 N -","- C18 H6 Al B F15 N -","- C72 H24 Al4 B4 F60 N4 -","4","1","","Ménard, Gabriel; Stephan, Douglas W.","CO2 reduction via aluminum complexes of ammonia boranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5447","5453","10.1039/c3dt00098b","","","0.71073","MoKα","","0.0889","0.0428","","","0.1149","0.1445","","","","","","0.854","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022564","9.9549","0.0005","9.8224","0.0005","11.8944","0.0005","90","","113.294","0.003","90","","1068.24","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 B F5 N -","- C9 H11 B F5 N -","- C36 H44 B4 F20 N4 -","4","1","","Ménard, Gabriel; Stephan, Douglas W.","CO2 reduction via aluminum complexes of ammonia boranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5447","5453","10.1039/c3dt00098b","","","0.71073","MoKα","","0.0812","0.0452","","","0.1049","0.1214","","","","","","1.028","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022565","19.524","0.0007","12.5631","0.0005","19.7628","0.0007","90","","90","","90","","4847.5","0.3","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H12 Al B F15 N O2 -","- C22 H12 Al B F15 N O2 -","- C176 H96 Al8 B8 F120 N8 O16 -","8","1","","Ménard, Gabriel; Stephan, Douglas W.","CO2 reduction via aluminum complexes of ammonia boranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5447","5453","10.1039/c3dt00098b","","","0.71073","MoKα","","0.0649","0.0354","","","0.0742","0.085","","","","","","1.002","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022566","12.663","0.0008","13.8558","0.0008","15.7986","0.001","92.518","0.003","100.938","0.003","108.147","0.003","2570.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H29 Al2 F30 O2 P -","- C49 H29 Al2 F30 O2 P -","- C98 H58 Al4 F60 O4 P2 -","2","1","","Ménard, Gabriel; Stephan, Douglas W.","CO2 reduction via aluminum complexes of ammonia boranes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5447","5453","10.1039/c3dt00098b","","","0.71073","MoKα","","0.1031","0.0582","","","0.134","0.156","","","","","","1.025","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022567","11.2933","0.0004","11.5315","0.0004","16.4162","0.0006","108.969","0.003","91.903","0.003","110.416","0.003","1868.67","0.13","133","2","133","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H69 B2 Cl2 Co2 F8 N23 O4 -","- C72 H69 B2 Cl2 Co2 F8 N23 O4 -","- C72 H69 B2 Cl2 Co2 F8 N23 O4 -","1","0.5","","Schweinfurth, David; Klein, Johannes; Hohloch, Stephan; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc; Sarkar, Biprajit","Influencing the coordination mode of tbta (tbta = tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine) in dicobalt complexes through changes in metal oxidation states.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6944","6952","10.1039/c3dt00102d","","","0.71073","MoKα","","0.0683","0.0482","","","0.0988","0.1058","","","","","","1.02","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022568","21.184","0.002","14.3717","0.0017","22.001","0.003","90","","90","","90","","6698.2","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C60 H62 B4 Co2 F16 N20 O2 -","- C60 H62 B4 Co2 F16 N20 O2 -","- C240 H248 B16 Co8 F64 N80 O8 -","4","0.5","","Schweinfurth, David; Klein, Johannes; Hohloch, Stephan; Dechert, Sebastian; Demeshko, Serhiy; Meyer, Franc; Sarkar, Biprajit","Influencing the coordination mode of tbta (tbta = tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine) in dicobalt complexes through changes in metal oxidation states.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6944","6952","10.1039/c3dt00102d","","","0.71073","MoKα","","0.0827","0.0595","","","0.163","0.1846","","","","","","1.097","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022569","10.447","0.0002","11.909","0.0002","18.138","0.0003","108.519","0.001","99.591","0.001","91.237","0.001","2103.14","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H34 Cu2 N4 O2 -","- C16 H34 Cu2 N4 O2 -","- C64 H136 Cu8 N16 O8 -","4","2","","Willcocks, Alexander M.; Pugh, Thomas; Hamilton, Jeff A.; Johnson, Andrew L.; Richards, Stephen P.; Kingsley, Andrew J.","CVD of pure copper films from novel iso-ureate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5554","5565","10.1039/c3dt00104k","","","0.71073","MoKα","","0.0586","0.0397","","","0.0939","0.1042","","","","","","1.048","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022570","6.963","0.0002","16.193","0.0005","10.408","0.0003","90","","101.579","0.001","90","","1149.64","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 Cu2 N4 O2 -","- C18 H38 Cu2 N4 O2 -","- C36 H76 Cu4 N8 O4 -","2","0.5","","Willcocks, Alexander M.; Pugh, Thomas; Hamilton, Jeff A.; Johnson, Andrew L.; Richards, Stephen P.; Kingsley, Andrew J.","CVD of pure copper films from novel iso-ureate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5554","5565","10.1039/c3dt00104k","","","0.71073","MoKα","","0.0448","0.032","","","0.0727","0.0788","","","","","","1.076","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022571","14.263","0.0001","10.37","0.0001","18.31","0.0002","90","","110.89","","90","","2530.17","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 Cu2 N4 O2 -","- C20 H42 Cu2 N4 O2 -","- C80 H168 Cu8 N16 O8 -","4","1","","Willcocks, Alexander M.; Pugh, Thomas; Hamilton, Jeff A.; Johnson, Andrew L.; Richards, Stephen P.; Kingsley, Andrew J.","CVD of pure copper films from novel iso-ureate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5554","5565","10.1039/c3dt00104k","","","0.71073","MoKα","","0.0407","0.0291","","","0.0695","0.0751","","","","","","1.03","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022572","11.061","0.0002","12.933","0.0002","18.269","0.0002","90","","90","","90","","2613.42","0.07","150","2","150","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C22 H46 Cu2 N4 O2 -","- C22 H46 Cu2 N4 O2 -","- C88 H184 Cu8 N16 O8 -","4","0.5","","Willcocks, Alexander M.; Pugh, Thomas; Hamilton, Jeff A.; Johnson, Andrew L.; Richards, Stephen P.; Kingsley, Andrew J.","CVD of pure copper films from novel iso-ureate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5554","5565","10.1039/c3dt00104k","","","0.71073","MoKα","","0.038","0.0266","","","0.0635","0.0687","","","","","","1.076","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022573","10.209","0.0004","11.292","0.0004","13.166","0.0006","90","","108.123","0.002","90","","1442.48","0.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Cu2 N4 O2 -","- C28 H50 Cu2 N4 O2 -","- C56 H100 Cu4 N8 O4 -","2","0.5","","Willcocks, Alexander M.; Pugh, Thomas; Hamilton, Jeff A.; Johnson, Andrew L.; Richards, Stephen P.; Kingsley, Andrew J.","CVD of pure copper films from novel iso-ureate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5554","5565","10.1039/c3dt00104k","","","0.71073","MoKα","","0.0804","0.0439","","","0.0827","0.096","","","","","","1.014","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022574","21.389","0.002","12.4258","0.0012","23.558","0.002","90","","90.454","0.002","90","","6260.9","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H67 Ce2 Fe2 N5 O20 -","- C60 H64 Ce2 Fe2 N5 O20 -","- C240 H256 Ce8 Fe8 N20 O80 -","4","0.5","","Baniodeh, Amer; Lan, Yanhua; Novitchi, Ghenadie; Mereacre, Valeriu; Sukhanov, Andrey; Ferbinteanu, Marilena; Voronkova, Violeta; Anson, Christopher E.; Powell, Annie K.","Magnetic anisotropy and exchange coupling in a family of isostructural Fe(III)2Ln(III)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8926","8938","10.1039/c3dt00105a","","","0.71073","MoKα","","0.0487","0.0438","","","0.1077","0.1105","","","","","","1.153","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022575","21.4105","0.0014","12.3502","0.0008","23.3265","0.0015","90","","90.21","0.001","90","","6168","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H67 Fe2 Gd2 N5 O20 -","- C60 H67 Fe2 Gd2 N5 O20 -","- C240 H268 Fe8 Gd8 N20 O80 -","4","0.5","","Baniodeh, Amer; Lan, Yanhua; Novitchi, Ghenadie; Mereacre, Valeriu; Sukhanov, Andrey; Ferbinteanu, Marilena; Voronkova, Violeta; Anson, Christopher E.; Powell, Annie K.","Magnetic anisotropy and exchange coupling in a family of isostructural Fe(III)2Ln(III)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8926","8938","10.1039/c3dt00105a","","","0.71073","MoKα","","0.0734","0.0467","","","0.1017","0.112","","","","","","1.029","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022576","18.8689","0.0019","15.9021","0.0018","21.929","0.002","90","","110.222","0.007","90","","6174.3","1.1","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H67 Fe2 N5 O20 Tb2 -","- C60 H67 Fe2 N5 O20 Tb2 -","- C240 H268 Fe8 N20 O80 Tb8 -","4","0.5","","Baniodeh, Amer; Lan, Yanhua; Novitchi, Ghenadie; Mereacre, Valeriu; Sukhanov, Andrey; Ferbinteanu, Marilena; Voronkova, Violeta; Anson, Christopher E.; Powell, Annie K.","Magnetic anisotropy and exchange coupling in a family of isostructural Fe(III)2Ln(III)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8926","8938","10.1039/c3dt00105a","","","0.71073","MoKα","","0.1171","0.0575","","","0.1049","0.1177","","","","","","0.991","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022577","18.8104","0.0015","15.9239","0.0013","22.0043","0.0017","90","","110.339","0.001","90","","6180.1","0.9","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H67 Fe2 Ho2 N5 O20 -","- C60 H67 Fe2 Ho2 N5 O20 -","- C240 H268 Fe8 Ho8 N20 O80 -","4","0.5","","Baniodeh, Amer; Lan, Yanhua; Novitchi, Ghenadie; Mereacre, Valeriu; Sukhanov, Andrey; Ferbinteanu, Marilena; Voronkova, Violeta; Anson, Christopher E.; Powell, Annie K.","Magnetic anisotropy and exchange coupling in a family of isostructural Fe(III)2Ln(III)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8926","8938","10.1039/c3dt00105a","","","0.71073","MoKα","","0.0545","0.0463","","","0.1033","0.1068","","","","","","1.139","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022578","18.6735","0.0007","15.9092","0.0006","21.8407","0.0008","90","","110.428","0.001","90","","6080.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H67 Er2 Fe2 N5 O20 -","- C60 H67 Er2 Fe2 N5 O20 -","- C240 H268 Er8 Fe8 N20 O80 -","4","0.5","","Baniodeh, Amer; Lan, Yanhua; Novitchi, Ghenadie; Mereacre, Valeriu; Sukhanov, Andrey; Ferbinteanu, Marilena; Voronkova, Violeta; Anson, Christopher E.; Powell, Annie K.","Magnetic anisotropy and exchange coupling in a family of isostructural Fe(III)2Ln(III)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8926","8938","10.1039/c3dt00105a","","","0.71073","MoKα","","0.0369","0.0304","","","0.0694","0.0723","","","","","","1.052","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022579","18.7266","0.0016","15.8981","0.0011","22.0196","0.0018","90","","110.23","0.006","90","","6151.2","0.9","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H67 Fe2 N5 O20 Y2 -","- C60 H67 Fe2 N5 O20 Y2 -","- C240 H268 Fe8 N20 O80 Y8 -","4","0.5","","Baniodeh, Amer; Lan, Yanhua; Novitchi, Ghenadie; Mereacre, Valeriu; Sukhanov, Andrey; Ferbinteanu, Marilena; Voronkova, Violeta; Anson, Christopher E.; Powell, Annie K.","Magnetic anisotropy and exchange coupling in a family of isostructural Fe(III)2Ln(III)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8926","8938","10.1039/c3dt00105a","","","0.71073","MoKα","","0.1061","0.0555","","","0.0593","0.0679","","","","","","0.945","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022580","11.96","0.006","14.191","0.007","16.977","0.008","90","","97.191","0.005","90","","2859","2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31.88 H42.5 Cr N3 -","- C30 H38 Cr N3 -","- C120 H152 Cr4 N12 -","4","1","","Monillas, Wesley H.; Young, John F.; Yap, Glenn P. A.; Theopold, Klaus H.","A well-defined model system for the chromium-catalyzed selective oligomerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9198","9210","10.1039/c3dt00109a","","","0.71073","MoKα","","0.111","0.0841","","","0.1815","0.1978","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022581","21.02","0.004","18.707","0.003","19.091","0.004","90","","90","","90","","7507","2","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C43 H51 Cr N2 -","- C43 H51 Cr N2 -","- C344 H408 Cr8 N16 -","8","1","","Monillas, Wesley H.; Young, John F.; Yap, Glenn P. A.; Theopold, Klaus H.","A well-defined model system for the chromium-catalyzed selective oligomerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9198","9210","10.1039/c3dt00109a","","","0.71073","MoKα","","0.0916","0.0556","","","0.1524","0.1765","","","","","","1.036","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022582","8.924","0.003","11.555","0.004","19.287","0.007","106.796","0.006","96.988","0.006","100.378","0.007","1840.7","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H61 Cr N2 O -","- C41 H61 Cr N2 O -","- C82 H122 Cr2 N4 O2 -","2","1","","Monillas, Wesley H.; Young, John F.; Yap, Glenn P. A.; Theopold, Klaus H.","A well-defined model system for the chromium-catalyzed selective oligomerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9198","9210","10.1039/c3dt00109a","","","0.71073","MoKα","","0.0683","0.0547","","","0.1418","0.1548","","","","","","1.049","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022583","13.834","0.004","17.44","0.005","20.034","0.005","90","","104.087","0.005","90","","4688","2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H75 Cr N2 O -","- C49 H63 Cr N2 O -","- C196 H252 Cr4 N8 O4 -","4","1","","Monillas, Wesley H.; Young, John F.; Yap, Glenn P. A.; Theopold, Klaus H.","A well-defined model system for the chromium-catalyzed selective oligomerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9198","9210","10.1039/c3dt00109a","","","0.71073","MoKα","","0.0774","0.0609","","","0.1682","0.1813","","","","","","1.054","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022584","13.404","0.005","14.089","0.005","18.924","0.007","90","","109.268","0.007","90","","3374","2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C68 H108 Cr2 N4 O Si2 -","- C68 H108 Cr2 N4 O Si2 -","- C136 H216 Cr4 N8 O2 Si4 -","2","1","","Monillas, Wesley H.; Young, John F.; Yap, Glenn P. A.; Theopold, Klaus H.","A well-defined model system for the chromium-catalyzed selective oligomerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9198","9210","10.1039/c3dt00109a","","","0.71073","MoKα","","0.1285","0.0745","","","0.1277","0.1533","","","","","","1.025","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022585","13.187","0.004","13.567","0.004","18.405","0.006","88.75","0.005","74.798","0.004","88.291","0.004","3175.8","1.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H104 Cr2 N4 -","- C68 H104 Cr2 N4 -","- C136 H208 Cr4 N8 -","2","1","","Monillas, Wesley H.; Young, John F.; Yap, Glenn P. A.; Theopold, Klaus H.","A well-defined model system for the chromium-catalyzed selective oligomerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9198","9210","10.1039/c3dt00109a","","","0.71073","MoKα","","0.076","0.0584","","","0.162","0.1831","","","","","","1.059","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022586","16.702","0.003","20.31","0.004","9.768","0.002","90","","90","","90","","3313.5","1.1","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C37 H55 Cr N2 O -","- C37 H55 Cr N2 O -","- C148 H220 Cr4 N8 O4 -","4","0.5","","Monillas, Wesley H.; Young, John F.; Yap, Glenn P. A.; Theopold, Klaus H.","A well-defined model system for the chromium-catalyzed selective oligomerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9198","9210","10.1039/c3dt00109a","","","0.71073","MoKα","","0.0972","0.0536","","","0.1333","0.1536","","","","","","1.049","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022587","14.279","0.005","22.934","0.005","20.708","0.005","90","","127.44","0.015","90","","5384","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 Ag6 Mo12 N14 Na O41 P -","- C18 H9 Ag6 Mo12 N14 Na O41 P -","- C72 H36 Ag24 Mo48 N56 Na4 O164 P4 -","4","1","","Sha, Jing-Quan; Li, Meng-Ting; Sun, Jing-Wen; Zhang, Yu-Nan; Yan, Peng-Fei; Li, Guang-Ming","An unprecedented 3D POM-Ag architecture with intertwined and homological helical structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7803","7809","10.1039/c3dt00118k","","","0.71069","MoKα","","0.1218","0.0784","","","0.2213","0.2519","","","","","","1.05","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022588","16.752","0.0001","16.752","0.0001","18.6693","0.0003","90","","90","","90","","5239.16","0.1","296","2","296","2","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","","","- C46 H72 Co4 O22 -","- C46 H72 Co4 O22 -","- C184 H288 Co16 O88 -","4","0.25","","Zhang, Kun; Dai, Jun; Wang, Yun-Hong; Zeng, Ming-Hua; Kurmoo, Mohamedally","Microwave and traditional solvothermal syntheses, crystal structures, mass spectrometry and magnetic properties of Co(II)4O4 cubes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5439","5446","10.1039/c3dt00121k","","","0.71073","MoKα","","0.0613","0.0481","","","0.1325","0.1488","","","","","","1.077","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022589","22.4649","0.0017","22.4649","0.0017","9.7584","0.0015","90","","90","","90","","4924.8","0.9","296","2","296","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C40 H56 Co4 O20 -","- C40 H56 Co4 O20 -","- C160 H224 Co16 O80 -","4","0.25","","Zhang, Kun; Dai, Jun; Wang, Yun-Hong; Zeng, Ming-Hua; Kurmoo, Mohamedally","Microwave and traditional solvothermal syntheses, crystal structures, mass spectrometry and magnetic properties of Co(II)4O4 cubes.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5439","5446","10.1039/c3dt00121k","","","0.71073","MoKα","","0.068","0.0391","","","0.0865","0.0987","","","","","","1.029","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022590","7.827","0.001","8.2097","0.0011","13.7455","0.0019","90.374","0.002","91.578","0.002","100.994","0.002","866.6","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H16 Cl3 N O6 P Pb2 -","- C7 H16 Cl3 N O6 P Pb2 -","- C14 H32 Cl6 N2 O12 P2 Pb4 -","2","1","","Chu, Wei; Sun, Zhen-Gang; Jiao, Cheng-Qi; Zhu, Yan-Yu; Sun, Shou-Hui; Tian, Hui; Zheng, Ming-Jing","Two novel lead(II) carboxyphosphonates with a layered and a 3D framework structure: syntheses, crystal structures, reversible dehydration/hydration, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8009","8017","10.1039/c3dt00125c","","","0.71073","MoKα","","0.0661","0.0534","","","0.1434","0.151","","","","","","1.086","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022591","6.7505","0.0013","9.3424","0.0019","16.747","0.003","102.497","0.003","92.402","0.003","99.285","0.002","1014.4","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 N O11 P Pb2 -","- C16 H16 N O11 P Pb2 -","- C32 H32 N2 O22 P2 Pb4 -","2","1","","Chu, Wei; Sun, Zhen-Gang; Jiao, Cheng-Qi; Zhu, Yan-Yu; Sun, Shou-Hui; Tian, Hui; Zheng, Ming-Jing","Two novel lead(II) carboxyphosphonates with a layered and a 3D framework structure: syntheses, crystal structures, reversible dehydration/hydration, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8009","8017","10.1039/c3dt00125c","","","0.71073","MoKα","","0.1075","0.0671","","","0.1693","0.1934","","","","","","1.024","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022592","11.28","0.0016","13.4268","0.0019","13.4935","0.0019","90","","101.444","0.002","90","","2003","0.5","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl F6 N P Ru S -","- C18 H17 Cl F6 N P Ru S -","- C72 H68 Cl4 F24 N4 P4 Ru4 S4 -","4","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham Lal; Singh, Ajai K.","Half sandwich complexes of chalcogenated pyridine based bi-(N, S/Se) and terdentate (N, S/Se, N) ligands with (η6-benzene)ruthenium(II): synthesis, structure and catalysis of transfer hydrogenation of ketones and oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8736","8747","10.1039/c3dt00126a","","","0.71073","MoKα","","0.0704","0.0684","","","0.1368","0.1377","","","","","","1.338","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022593","11.2023","0.001","13.1735","0.0012","13.2458","0.0012","90","","100.919","0.002","90","","1919.3","0.3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cl F6 N2 P Ru S -","- C17 H16 Cl F6 N2 P Ru S -","- C68 H64 Cl4 F24 N8 P4 Ru4 S4 -","4","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham Lal; Singh, Ajai K.","Half sandwich complexes of chalcogenated pyridine based bi-(N, S/Se) and terdentate (N, S/Se, N) ligands with (η6-benzene)ruthenium(II): synthesis, structure and catalysis of transfer hydrogenation of ketones and oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8736","8747","10.1039/c3dt00126a","","","0.71073","MoKα","","0.0399","0.0364","","","0.077","0.0785","","","","","","1.154","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022594","11.3841","0.001","13.2838","0.0012","13.5948","0.0013","90","","101.647","0.002","90","","2013.5","0.3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cl F6 N P Ru Se -","- C18 H17 Cl F6 N P Ru Se -","- C72 H68 Cl4 F24 N4 P4 Ru4 Se4 -","4","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham Lal; Singh, Ajai K.","Half sandwich complexes of chalcogenated pyridine based bi-(N, S/Se) and terdentate (N, S/Se, N) ligands with (η6-benzene)ruthenium(II): synthesis, structure and catalysis of transfer hydrogenation of ketones and oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8736","8747","10.1039/c3dt00126a","","","0.71073","MoKα","","0.0512","0.0495","","","0.0971","0.0979","","","","","","1.249","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022595","17.008","0.003","9.1768","0.0014","15.464","0.002","90","","97.076","0.003","90","","2395.2","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F12 N2 P2 Ru S -","- C18 H18 F12 N2 P2 Ru S -","- C72 H72 F48 N8 P8 Ru4 S4 -","4","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham Lal; Singh, Ajai K.","Half sandwich complexes of chalcogenated pyridine based bi-(N, S/Se) and terdentate (N, S/Se, N) ligands with (η6-benzene)ruthenium(II): synthesis, structure and catalysis of transfer hydrogenation of ketones and oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8736","8747","10.1039/c3dt00126a","","","0.71073","MoKα","","0.0618","0.0576","","","0.1446","0.1478","","","","","","1.072","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022596","17.165","0.003","9.1693","0.0018","15.329","0.003","90","","97.063","0.004","90","","2394.3","0.8","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 F12 N2 P2 Ru Se -","- C18 H18 F12 N2 P2 Ru Se -","- C72 H72 F48 N8 P8 Ru4 Se4 -","4","1","","Prakash, Om; Sharma, Kamal Nayan; Joshi, Hemant; Gupta, Pancham Lal; Singh, Ajai K.","Half sandwich complexes of chalcogenated pyridine based bi-(N, S/Se) and terdentate (N, S/Se, N) ligands with (η6-benzene)ruthenium(II): synthesis, structure and catalysis of transfer hydrogenation of ketones and oxidation of alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8736","8747","10.1039/c3dt00126a","","","0.71073","MoKα","","0.0719","0.049","","","0.1134","0.1198","","","","","","0.985","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022597","24.035","0.004","8.5326","0.0014","19.386","0.003","90","","114.162","0.008","90","","3627.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mn(5-Clsalpn)N3]n","","","- C17 H14 Cl2 Mn N5 O2 -","- C17 H14 Cl2 Mn N5 O2 -","- C136 H112 Cl16 Mn8 N40 O16 -","8","1","","Bhargavi, G.; Rajasekharan, M. V.; Costes, J.-P.; Tuchagues, J.-P.","A new end-on azido bridged Mn(III) single-chain magnet and its dimeric single molecule magnet polymorph. Synthesis, structure and magnetic properties of [Mn(5-Clsalpn)N3]n and phenoxo bridged [Mn(5-Clsalpn)N3]2.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8113","8123","10.1039/c3dt31966k","","","0.71073","MoKα","","0.0431","0.0382","","","0.0936","0.0968","","","","","","1.056","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022598","12.5241","0.0008","17.6241","0.0011","8.472","0.0005","90","","107.721","0.001","90","","1781.26","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Mn(5-Clsalpn)N3]n","","","- C17 H14 Cl2 Mn N5 O2 -","- C17 H14 Cl2 Mn N5 O2 -","- C68 H56 Cl8 Mn4 N20 O8 -","4","1","","Bhargavi, G.; Rajasekharan, M. V.; Costes, J.-P.; Tuchagues, J.-P.","A new end-on azido bridged Mn(III) single-chain magnet and its dimeric single molecule magnet polymorph. Synthesis, structure and magnetic properties of [Mn(5-Clsalpn)N3]n and phenoxo bridged [Mn(5-Clsalpn)N3]2.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8113","8123","10.1039/c3dt31966k","","","0.71073","MoKα","","0.0555","0.0477","","","0.1099","0.114","","","","","","1.117","","","","has coordinates","179930","2020-10-21","18:00:00",""
"7022599","13.6924","0.0004","23.6542","0.0008","16.2397","0.0006","90","","108.983","0.004","90","","4973.7","0.3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Cl3 Cu2 Gd N4 O30 -","- C32 H48 Cl3 Cu2 Gd N4 O30 -","- C128 H192 Cl12 Cu8 Gd4 N16 O120 -","4","1","","Benelli, Cristiano; Borgogelli, Elisa; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","Di-maltol-polyamine ligands to form heterotrinuclear metal complexes: solid state, aqueous solution and magnetic characterization.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5848","5859","10.1039/c3dt32130d","","","0.71073","MoKα","","0.1141","0.0606","","","0.1562","0.1683","","","","","","0.958","","","","has coordinates,has disorder","179930","2020-10-21","18:00:00",""
"7022600","13.05","0.01","23.765","0.005","15.9","0.01","90","","107.98","0.07","90","","4690","5","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl3 Cu2 N4 O26 Y -","- C32 H40 Cl3 Cu2 N4 O26 Y -","- C128 H160 Cl12 Cu8 N16 O104 Y4 -","4","1","","Benelli, Cristiano; Borgogelli, Elisa; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","Di-maltol-polyamine ligands to form heterotrinuclear metal complexes: solid state, aqueous solution and magnetic characterization.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5848","5859","10.1039/c3dt32130d","","","0.71073","MoKα","","0.2061","0.0634","","","0.1344","0.1622","","","","","","0.762","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022601","15.4681","0.0005","24.7525","0.0007","15.9297","0.0005","90","","113.196","0.004","90","","5606","0.3","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 Cl3 Co2 Gd N8 O26 -","- C44 H64 Cl3 Co2 Gd N8 O26 -","- C176 H256 Cl12 Co8 Gd4 N32 O104 -","4","1","","Benelli, Cristiano; Borgogelli, Elisa; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia","Di-maltol-polyamine ligands to form heterotrinuclear metal complexes: solid state, aqueous solution and magnetic characterization.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5848","5859","10.1039/c3dt32130d","","","0.71073","MoKα","","0.1474","0.0687","","","0.1304","0.1433","","","","","","1.049","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022602","30.835","0.014","30.835","0.014","29.306","0.007","90","","90","","90","","27864","19","200","2","200","2","","","","","","","","4","I 41/a","-I 4ad","88","","","","- C45 H30 Cu3 N6 -","- C45 H30 Cu3 N6 -","- C720 H480 Cu48 N96 -","16","","","Grzywa, Maciej; Geßner, Christof; Denysenko, Dmytro; Bredenkötter, Björn; Gschwind, Fabienne; Fromm, Katharina M.; Nitek, Wojciech; Klemm, Elias; Volkmer, Dirk","CFA-2 and CFA-3 (Coordination Framework Augsburg University-2 and -3); novel MOFs assembled from trinuclear Cu(I)/Ag(I) secondary building units and 3,3',5,5'-tetraphenyl-bipyrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6909","6921","10.1039/c3dt32302a","","","1.54178","CuKα","","0.0536","0.0455","","","0.124","0.1286","","","","","","1.067","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022603","16.3399","0.0003","32.7506","0.0004","16.2624","0.0003","90","","107.382","0.002","90","","8305.3","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C90 H60 Ag6 N12 -","- C90 H60 Ag6 N12 -","- C360 H240 Ag24 N48 -","4","1","","Grzywa, Maciej; Geßner, Christof; Denysenko, Dmytro; Bredenkötter, Björn; Gschwind, Fabienne; Fromm, Katharina M.; Nitek, Wojciech; Klemm, Elias; Volkmer, Dirk","CFA-2 and CFA-3 (Coordination Framework Augsburg University-2 and -3); novel MOFs assembled from trinuclear Cu(I)/Ag(I) secondary building units and 3,3',5,5'-tetraphenyl-bipyrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6909","6921","10.1039/c3dt32302a","","x-ray","0.71073","MoKα","","0.0711","0.0513","","","0.1249","0.1318","","","","","","1.09","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022604","10.3718","0.0012","16.012","0.0016","16.776","0.002","90","","94.124","0.005","90","","2778.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 N4 O S -","- C32 H27.4 N4 O S -","- C128 H109.6 N16 O4 S4 -","4","1","","Grzywa, Maciej; Geßner, Christof; Denysenko, Dmytro; Bredenkötter, Björn; Gschwind, Fabienne; Fromm, Katharina M.; Nitek, Wojciech; Klemm, Elias; Volkmer, Dirk","CFA-2 and CFA-3 (Coordination Framework Augsburg University-2 and -3); novel MOFs assembled from trinuclear Cu(I)/Ag(I) secondary building units and 3,3',5,5'-tetraphenyl-bipyrazolate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6909","6921","10.1039/c3dt32302a","","","0.71073","MoKα","","0.0548","0.0449","","","0.1041","0.1097","","","","","","1.061","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022605","9.975","0.001","20.603","0.002","15.6453","0.0015","90","","95.171","0.004","90","","3202.3","0.5","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H39 Cl2 F3 N2 O2 Zn -","- C32 H39 Cl2 F3 N2 O2 Zn -","- C128 H156 Cl8 F12 N8 O8 Zn4 -","4","1","","Rezayee, Nomaan M.; Gerling, Kimberly A.; Rheingold, Arnold L.; Fritsch, Joseph M.","Synthesis and structures of tridentate ketoiminate zinc complexes bearing trifluoromethyl substituents that act as L-lactide ring opening polymerization initiators.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5573","5586","10.1039/c3dt32314e","","","0.71073","MoKα","","0.0498","0.0423","","","0.1068","0.1119","","","","","","1.03","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022606","9.3993","0.0018","14.898","0.003","19.859","0.004","90","","93.07","0.002","90","","2776.9","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 F3 N3 O Si2 Zn -","- C24 H36 F3 N3 O Si2 Zn -","- C96 H144 F12 N12 O4 Si8 Zn4 -","4","1","","Rezayee, Nomaan M.; Gerling, Kimberly A.; Rheingold, Arnold L.; Fritsch, Joseph M.","Synthesis and structures of tridentate ketoiminate zinc complexes bearing trifluoromethyl substituents that act as L-lactide ring opening polymerization initiators.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5573","5586","10.1039/c3dt32314e","","","0.71073","MoKα","","0.0563","0.0339","","","0.0735","0.082","","","","","","1.006","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022607","8.9795","0.0015","18.148","0.003","18.59","0.003","90","","90","","90","","3029.4","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 F3 N2 O2 Zn -","- C32 H39 F3 N2 O2 Zn -","- C128 H156 F12 N8 O8 Zn4 -","4","1","","Rezayee, Nomaan M.; Gerling, Kimberly A.; Rheingold, Arnold L.; Fritsch, Joseph M.","Synthesis and structures of tridentate ketoiminate zinc complexes bearing trifluoromethyl substituents that act as L-lactide ring opening polymerization initiators.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5573","5586","10.1039/c3dt32314e","","","0.71073","MoKα","","0.058","0.0486","","","0.1144","0.123","","","","","","1.026","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022608","31.3066","0.0017","31.3066","0.0017","8.0145","0.0004","90","","90","","120","","6802.7","0.6","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H13 F3 N2 O -","- C19 H13 F3 N2 O -","- C342 H234 F54 N36 O18 -","18","1","","Rezayee, Nomaan M.; Gerling, Kimberly A.; Rheingold, Arnold L.; Fritsch, Joseph M.","Synthesis and structures of tridentate ketoiminate zinc complexes bearing trifluoromethyl substituents that act as L-lactide ring opening polymerization initiators.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5573","5586","10.1039/c3dt32314e","","","0.71073","MoKα","","0.0352","0.0311","","","0.0858","0.0895","","","","","","1.028","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022609","7.1874","0.0011","14.651","0.002","23.702","0.003","90","","90","","90","","2495.9","0.6","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C14 H11 F3 N2 O -","- C14 H11 F3 N2 O -","- C112 H88 F24 N16 O8 -","8","1","","Rezayee, Nomaan M.; Gerling, Kimberly A.; Rheingold, Arnold L.; Fritsch, Joseph M.","Synthesis and structures of tridentate ketoiminate zinc complexes bearing trifluoromethyl substituents that act as L-lactide ring opening polymerization initiators.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5573","5586","10.1039/c3dt32314e","","","0.71073","MoKα","","0.0797","0.0522","","","0.1259","0.1426","","","","","","1.045","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022610","10.0828","0.0005","10.7266","0.0006","12.2102","0.0006","90.098","0.003","99.192","0.003","96.636","0.002","1294.62","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 F3 N2 O2 Zn -","- C29 H33 F3 N2 O2 Zn -","- C58 H66 F6 N4 O4 Zn2 -","2","1","","Rezayee, Nomaan M.; Gerling, Kimberly A.; Rheingold, Arnold L.; Fritsch, Joseph M.","Synthesis and structures of tridentate ketoiminate zinc complexes bearing trifluoromethyl substituents that act as L-lactide ring opening polymerization initiators.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5573","5586","10.1039/c3dt32314e","","","0.71073","MoKα","","0.0246","0.0226","","","0.0596","0.0605","","","","","","1.108","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022611","9.7557","0.0014","9.7557","0.0014","27.274","0.006","90","","90","","120","","2248","0.7","123","2","123","2","","","","","","","","5","P 31 2 1","P 31 2""","152","compound2","","","- C21 H18 O12 Ru4 Si2 -","- C21 H18 O12 Ru4 Si2 -","- C63 H54 O36 Ru12 Si6 -","3","0.5","","González-López, Vianney; Leyva, Marco A.; Rosales-Hoz, María J","Coupling of acetylene molecules on ruthenium clusters, involving cleavage of C-Si bonds in the alkyne and coordination of a phenyl ring of a SiPh3 group.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5401","5411","10.1039/c3dt32335h","","x-ray","0.71073","MoKα","","0.0666","0.041","","","0.0581","0.0639","","","","","","1.05","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022612","34.963","0.0004","14.3422","0.0002","21.6132","0.0003","90","","117.934","0.001","90","","9575.1","0.2","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","compound3","","","- C33 H45 O12 Ru5 Si4 -","- C33 H45 O12 Ru5 Si4 -","- C264 H360 O96 Ru40 Si32 -","8","1","","González-López, Vianney; Leyva, Marco A.; Rosales-Hoz, María J","Coupling of acetylene molecules on ruthenium clusters, involving cleavage of C-Si bonds in the alkyne and coordination of a phenyl ring of a SiPh3 group.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5401","5411","10.1039/c3dt32335h","","x-ray","0.71073","MoKα","","0.1243","0.0647","","","0.1087","0.1402","","","","","","1.074","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022613","9.2297","0.0006","18.2204","0.0013","18.5059","0.0013","90","","90","","90","","3112.1","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","compound3a","","","- C22 H30 O8 Ru3 Si3 -","- C22 H30 O8 Ru3 Si3 -","- C88 H120 O32 Ru12 Si12 -","4","1","","González-López, Vianney; Leyva, Marco A.; Rosales-Hoz, María J","Coupling of acetylene molecules on ruthenium clusters, involving cleavage of C-Si bonds in the alkyne and coordination of a phenyl ring of a SiPh3 group.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5401","5411","10.1039/c3dt32335h","","x-ray","0.71073","MoKα","","0.1421","0.0697","","","0.0948","0.1147","","","","","","1.115","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022614","9.0636","0.0002","10.3594","0.0003","14.904","0.0004","96.689","0.002","102.959","0.002","100.391","0.001","1323.28","0.06","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Compound 3b","","","- C19 H22 O8 Ru3 Si2 -","- C19 H22 O8 Ru3 Si2 -","- C38 H44 O16 Ru6 Si4 -","2","1","","González-López, Vianney; Leyva, Marco A.; Rosales-Hoz, María J","Coupling of acetylene molecules on ruthenium clusters, involving cleavage of C-Si bonds in the alkyne and coordination of a phenyl ring of a SiPh3 group.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5401","5411","10.1039/c3dt32335h","","x-ray","0.71073","MoKα","","0.0691","0.0413","","","0.0859","0.0957","","","","","","1.035","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022615","11.6029","0.0004","12.1947","0.0005","12.0513","0.0005","90","","103.988","0.002","90","","1654.62","0.11","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","compound 3c","","","- C23 H28 O8 Ru3 Si3 -","- C23.0004 H29 O8 Ru3 Si3 -","- C46.0008 H58 O16 Ru6 Si6 -","2","0.5","","González-López, Vianney; Leyva, Marco A.; Rosales-Hoz, María J","Coupling of acetylene molecules on ruthenium clusters, involving cleavage of C-Si bonds in the alkyne and coordination of a phenyl ring of a SiPh3 group.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5401","5411","10.1039/c3dt32335h","","x-ray","0.71073","MoKα","","0.1368","0.0542","","","0.1227","0.158","","","","","","0.91","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022616","11.2271","0.0003","13.7405","0.0004","19.1205","0.0003","83.763","0.002","77.42","0.002","67.172","0.001","2652.39","0.12","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","compound 7","","","- C63 H48 O3 Ru Si3 -","- C63 H48 O3 Ru Si3 -","- C126 H96 O6 Ru2 Si6 -","2","1","","González-López, Vianney; Leyva, Marco A.; Rosales-Hoz, María J","Coupling of acetylene molecules on ruthenium clusters, involving cleavage of C-Si bonds in the alkyne and coordination of a phenyl ring of a SiPh3 group.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5401","5411","10.1039/c3dt32335h","","x-ray","0.71073","MoKα","","0.1065","0.0473","","","0.0958","0.114","","","","","","1.017","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022617","21.155","0.0004","10.5856","0.0002","21.6389","0.0005","90","","95.872","0.001","90","","4820.35","0.17","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","compound 8","","","- C50 H44 Cl2 O4 Ru2 Si3 -","- C50 H44 Cl2 O4 Ru2 Si3 -","- C200 H176 Cl8 O16 Ru8 Si12 -","4","1","","González-López, Vianney; Leyva, Marco A.; Rosales-Hoz, María J","Coupling of acetylene molecules on ruthenium clusters, involving cleavage of C-Si bonds in the alkyne and coordination of a phenyl ring of a SiPh3 group.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5401","5411","10.1039/c3dt32335h","","x-ray","0.71073","MoKα","","0.1238","0.0673","","","0.1296","0.1595","","","","","","1.058","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022618","9.9128","0.0002","15.4684","0.0004","17.7928","0.0004","72.928","0.002","84.899","0.001","86.614","0.001","2596.16","0.11","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","compound 9","","","- C52 H46 Cl4 O5 Ru3 Si3 -","- C52 H46 Cl4 O5 Ru3 Si3 -","- C104 H92 Cl8 O10 Ru6 Si6 -","2","1","","González-López, Vianney; Leyva, Marco A.; Rosales-Hoz, María J","Coupling of acetylene molecules on ruthenium clusters, involving cleavage of C-Si bonds in the alkyne and coordination of a phenyl ring of a SiPh3 group.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5401","5411","10.1039/c3dt32335h","","x-ray","0.71073","MoKα","","0.1086","0.0606","","","0.1512","0.1784","","","","","","1.078","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022619","16.9643","0.0004","16.9643","0.0004","7.6067","0.0007","90","","90","","90","","2189.1","0.2","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C14 H24 Mg N6 O8 S2 -","- C14 H24 Mg N6 O8 S2 -","- C56 H96 Mg4 N24 O32 S8 -","4","0.25","","Gong, Yun; Hao, Zhi; Li, JingHua; Wu, Tao; Lin, JianHua","Mg(II)-induced second-harmonic generation based on bis-monodentate coordination mode of thiobarbiturate.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6489","6494","10.1039/c3dt32380c","","","0.71073","MoKα","","0.0735","0.0693","","","0.2037","0.2064","","","","","","1.186","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022620","16.8944","0.0002","16.8944","0.0002","7.5454","0.0003","90","","90","","90","","2153.61","0.09","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C14 H24 N6 Ni O8 S2 -","- C14 H24 N6 Ni O8 S2 -","- C56 H96 N24 Ni4 O32 S8 -","4","0.25","","Gong, Yun; Hao, Zhi; Li, JingHua; Wu, Tao; Lin, JianHua","Mg(II)-induced second-harmonic generation based on bis-monodentate coordination mode of thiobarbiturate.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6489","6494","10.1039/c3dt32380c","","","0.71073","MoKα","","0.0623","0.0597","","","0.1729","0.1746","","","","","","1.165","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022621","6.8866","0.0006","7.0305","0.0006","7.2471","0.0006","91.537","0.007","102.694","0.007","113.507","0.008","311.31","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H6 Co N4 O6 S2 -","- C8 H6 Co N4 O6 S2 -","- C8 H6 Co N4 O6 S2 -","1","0.5","","Gong, Yun; Hao, Zhi; Li, JingHua; Wu, Tao; Lin, JianHua","Mg(II)-induced second-harmonic generation based on bis-monodentate coordination mode of thiobarbiturate.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6489","6494","10.1039/c3dt32380c","","","0.71073","MoKα","","0.0423","0.0309","","","0.0798","0.0819","","","","","","1.023","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022622","12.871","0.004","13.05","0.004","21.487","0.007","85.419","0.018","72.72","0.02","63.3","0.02","3072.7","1.8","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C58 H48 Cl6 F6 N O7 P3 Pt S2 -","- C58 H48 Cl6 F6 N O7 P3 Pt S2 -","- C116 H96 Cl12 F12 N2 O14 P6 Pt2 S4 -","2","1","","Leñero, Karina Q Almeida; Guari, Yannick; Kamer, Paul C. J.; van Leeuwen, Piet W. N. M.; Donnadieu, Bruno; Sabo-Etienne, Sylviane; Chaudret, Bruno; Lutz, Martin; Spek, Anthony L.","Heterolytic activation of dihydrogen by platinum and palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6495","6512","10.1039/c3dt32395a","","","0.71073","MoKα","","0.1025","0.0669","","","0.1558","0.1784","","","","","","1.029","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022623","23.757","0.005","13.009","0.003","38.06","0.008","90","","91.27","0.03","90","","11760","4","180","2","180","","","","","","","","synthesis as described","10","C 1 2/c 1","-C 2yc","15","","","","- C58 H48 Cl2 F6 N O7 P3 Pt S2 Si -","- C58 H46 Cl2 F6 N O7 P3 Pt S2 Si -","- C464 H368 Cl16 F48 N8 O56 P24 Pt8 S16 Si8 -","8","1","","Leñero, Karina Q Almeida; Guari, Yannick; Kamer, Paul C. J.; van Leeuwen, Piet W. N. M.; Donnadieu, Bruno; Sabo-Etienne, Sylviane; Chaudret, Bruno; Lutz, Martin; Spek, Anthony L.","Heterolytic activation of dihydrogen by platinum and palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6495","6512","10.1039/c3dt32395a","","","0.71073","MoKα","","0.0473","0.0395","","","0.0958","0.1015","","","","","","1.045","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022624","42.7622","0.0004","12.1609","0.0001","23.9955","0.0002","90","","121.161","0.0004","90","","10677.9","0.17","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H47 F6 N O7.5 P3 Pt S2 -","- C58 H47 F6 N O7.5 P3 Pt S2 -","- C464 H376 F48 N8 O60 P24 Pt8 S16 -","8","1","","Leñero, Karina Q Almeida; Guari, Yannick; Kamer, Paul C. J.; van Leeuwen, Piet W. N. M.; Donnadieu, Bruno; Sabo-Etienne, Sylviane; Chaudret, Bruno; Lutz, Martin; Spek, Anthony L.","Heterolytic activation of dihydrogen by platinum and palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6495","6512","10.1039/c3dt32395a","","","0.71073","MoKα","","0.0274","0.0224","","","0.0538","0.0562","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022625","10.5447","0.0016","19.482","0.0015","27.918","0.004","90","","110.495","0.016","90","","5372.2","1.3","150","2","150","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C55 H48 Cl2 F6 Fe N O6 P3 Pt S2 -","- C55 H48 Cl2 F6 Fe N O6 P3 Pt S2 -","- C220 H192 Cl8 F24 Fe4 N4 O24 P12 Pt4 S8 -","4","1","","Leñero, Karina Q Almeida; Guari, Yannick; Kamer, Paul C. J.; van Leeuwen, Piet W. N. M.; Donnadieu, Bruno; Sabo-Etienne, Sylviane; Chaudret, Bruno; Lutz, Martin; Spek, Anthony L.","Heterolytic activation of dihydrogen by platinum and palladium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6495","6512","10.1039/c3dt32395a","","","0.71073","MoKα","","0.0508","0.0345","","","0.0973","0.1072","","","","","","1.13","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022626","14.2505","0.001","14.89","0.0011","21.003","0.0016","90","","107.351","0.002","90","","4253.8","0.5","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C52.5 H37 Cl F4 Ir N2 O P Si -","- C52.5 H37 Cl F4 Ir N2 O P Si -","- C210 H148 Cl4 F16 Ir4 N8 O4 P4 Si4 -","4","1","","Zhang, Fushi; Wang, Liduo; Chang, Shih-Han; Huang, Kuan-Lin; Chi, Yun; Hung, Wen-Yi; Chen, Chih-Ming; Lee, Gene-Hsiang; Chou, Pi-Tai","Phosphorescent Ir(III) complexes with both cyclometalate chromophores and phosphine-silanolate ancillary: concurrent conversion of organosilane to silanolate.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7111","7119","10.1039/c3dt32408g","","","0.71073","MoKα","","0.0359","0.0301","","","0.0625","0.0647","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022627","6.5744","0.0001","11.5052","0.0003","16.3531","0.0004","90.038","0.001","93.669","0.001","96.953","0.001","1225.29","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","ET3(H2NSO3)2.2H2O","Tris(bis(ethylenedithio)tetrathiafulvalene) bis(sulfamate) dihydrate","","- C30 H32 N2 O8 S26 -","- C30 H32 N2 O8 S26 -","- C30 H32 N2 O8 S26 -","1","0.5","","Brooks, Andrew C.; Martin, Lee; Day, Peter; Lopes, Elsa B.; Almeida, Manuel; Kikuchi, Koichi; Fujita, Wataru; Sasamori, Kota; Aktusu, Hiroki; Wallis, John D.","Hydrogen bonded anion ribbons, networks and clusters and sulfur-anion interactions in novel radical cation salts of BEDT-TTF with sulfamate, pentaborate and bromide.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6645","6654","10.1039/c3dt32430c","","","0.71073","MoKα","","0.0406","0.0335","","","0.0676","0.0716","","","","","","1.063","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022628","9.1142","0.0003","11.5777","0.0004","18.1484","0.0007","97.136","0.002","101.35","0.002","104.651","0.002","1785.72","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Bis(Bis(ethylenedithio)tetrathiafulvalene) B5O6(OH)4","","- C20 H20 B5 O10 S16 -","- C20 H20 B5 O10 S16 -","- C40 H40 B10 O20 S32 -","2","1","","Brooks, Andrew C.; Martin, Lee; Day, Peter; Lopes, Elsa B.; Almeida, Manuel; Kikuchi, Koichi; Fujita, Wataru; Sasamori, Kota; Aktusu, Hiroki; Wallis, John D.","Hydrogen bonded anion ribbons, networks and clusters and sulfur-anion interactions in novel radical cation salts of BEDT-TTF with sulfamate, pentaborate and bromide.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6645","6654","10.1039/c3dt32430c","","","0.71073","MoKα","","0.1453","0.0933","","","0.1871","0.2166","","","","","","1.077","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022629","12.867","0.003","11.036","0.002","11.27","0.002","90","","103.66","0.03","90","","1555.1","0.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis(ethylenedithio)tetrathiafulvalene bromide","","- C10 H8 Br S8 -","- C10 H8 Br S8 -","- C40 H32 Br4 S32 -","4","0.5","","Brooks, Andrew C.; Martin, Lee; Day, Peter; Lopes, Elsa B.; Almeida, Manuel; Kikuchi, Koichi; Fujita, Wataru; Sasamori, Kota; Aktusu, Hiroki; Wallis, John D.","Hydrogen bonded anion ribbons, networks and clusters and sulfur-anion interactions in novel radical cation salts of BEDT-TTF with sulfamate, pentaborate and bromide.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6645","6654","10.1039/c3dt32430c","","","0.71073","MoKα","","0.029","0.0282","","","0.0702","0.0705","","","","","","1.256","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022630","11.1312","0.0002","18.0651","0.0004","20.7862","0.0004","75.877","0.001","89.995","0.001","72.085","0.001","3844.19","0.14","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Penta-bis(ethylenedithio)tetrathiafulvalene tetrabromide hydroxonium hydrate","","- C50 H45 Br4 O2 S40 -","- C50 H45 Br4 O2 S40 -","- C100 H90 Br8 O4 S80 -","2","1","","Brooks, Andrew C.; Martin, Lee; Day, Peter; Lopes, Elsa B.; Almeida, Manuel; Kikuchi, Koichi; Fujita, Wataru; Sasamori, Kota; Aktusu, Hiroki; Wallis, John D.","Hydrogen bonded anion ribbons, networks and clusters and sulfur-anion interactions in novel radical cation salts of BEDT-TTF with sulfamate, pentaborate and bromide.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6645","6654","10.1039/c3dt32430c","","","0.71073","MoKα","","0.0615","0.0495","","","0.1123","0.1172","","","","","","1.345","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022631","7.192","0.0006","15.4368","0.0012","14.206","0.0012","90","","91.894","0.005","90","","1576.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N O10 V -","- C15 H12 N O10 V -","- C60 H48 N4 O40 V4 -","4","1","","Ren, Dong Xue; Xing, Na; Shan, Hui; Chen, Chen; Cao, Yun Zhu; Xing, Yong Heng","Novel vanadium(III) complexes with rigid phenylpolycarboxylate ligands: synthesis, structures and application in C-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5379","5389","10.1039/c3dt32472a","","","0.71073","MoKα","","0.0766","0.0413","","","0.0904","0.1033","","","","","","0.937","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022632","8.1031","0.0016","9.7398","0.0019","10.142","0.002","103.42","0.03","109.89","0.03","90.08","0.03","729.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N2 O22 V2 -","- C24 H22 N2 O22 V2 -","- C24 H22 N2 O22 V2 -","1","0.5","","Ren, Dong Xue; Xing, Na; Shan, Hui; Chen, Chen; Cao, Yun Zhu; Xing, Yong Heng","Novel vanadium(III) complexes with rigid phenylpolycarboxylate ligands: synthesis, structures and application in C-H bond activation.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5379","5389","10.1039/c3dt32472a","","","0.71073","MoKα","","0.033","0.0286","","","0.0801","0.0821","","","","","","1.084","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022633","13.8097","0.0011","20.6672","0.0017","7.3626","0.0006","90","","90","","90","","2101.3","0.3","298","2","298","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H18 Co3 N10 O10 S -","- C12 H16 Co3 N10 O10 S -","- C48 H64 Co12 N40 O40 S4 -","4","0.5","","Yao, Ru-Xin; Qin, Ying-Lian; Ji, Fang; Zhao, Yan-Fei; Zhang, Xian-Ming","Triangle, square and delta-chain based cobalt tetrazolate magnets.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6611","6618","10.1039/c3dt32539c","","","0.71073","MoKα","","0.0402","0.0344","","","0.0929","0.0962","","","","","","1.029","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022634","6.4307","0.0013","6.8381","0.0014","15.023","0.003","81.52","0.003","82.013","0.004","62.68","0.003","578.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Co2 N4 O7 -","- C8 H12 Co2 N4 O7 -","- C16 H24 Co4 N8 O14 -","2","1","","Yao, Ru-Xin; Qin, Ying-Lian; Ji, Fang; Zhao, Yan-Fei; Zhang, Xian-Ming","Triangle, square and delta-chain based cobalt tetrazolate magnets.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6611","6618","10.1039/c3dt32539c","","","0.71073","MoKα","","0.0851","0.0635","","","0.1964","0.2485","","","","","","1.06","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022635","9.6822","0.0003","9.6822","0.0003","7.4882","0.0006","90","","90","","90","","701.98","0.06","298","2","298","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C H2 Co N4 O -","- C H Co N4 O -","- C8 H8 Co8 N32 O8 -","8","0.5","","Yao, Ru-Xin; Qin, Ying-Lian; Ji, Fang; Zhao, Yan-Fei; Zhang, Xian-Ming","Triangle, square and delta-chain based cobalt tetrazolate magnets.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6611","6618","10.1039/c3dt32539c","","","0.71073","MoKα","","0.0415","0.0359","","","0.1091","0.1134","","","","","","1.144","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022636","11.4021","0.0015","11.888","0.003","13.5025","0.0016","103.486","0.003","112.845","0.002","93.903","0.003","1614.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H54 Mn3 N8 O14 -","- C78 H54 Mn3 N8 O14 -","- C78 H54 Mn3 N8 O14 -","1","0.5","","Chen, Xin; Wang, Yao-Yu; Liu, Bin; Yin, Bing; Liu, Ping; Shi, Qi-Zhen","New two-dimensional Mn(II) metal-organic framework featured spin canting.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7092","7100","10.1039/c3dt32556c","","","0.71073","MoKα","","0.1205","0.0639","","","0.1514","0.2131","","","","","","0.98","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022637","11.313","0.002","11.826","0.002","13.416","0.003","103.917","0.004","112.404","0.003","93.82","0.003","1585.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H54 Mn3 N8 O14 -","- C78 H54 Mn3 N8 O14 -","- C78 H54 Mn3 N8 O14 -","1","0.5","","Chen, Xin; Wang, Yao-Yu; Liu, Bin; Yin, Bing; Liu, Ping; Shi, Qi-Zhen","New two-dimensional Mn(II) metal-organic framework featured spin canting.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7092","7100","10.1039/c3dt32556c","","","0.71073","MoKα","","0.1545","0.0947","","","0.2247","0.3351","","","","","","1.836","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022638","12.711","0.003","13.004","0.003","15.439","0.003","107.7","0.03","101.74","0.03","112.78","0.03","2086.3","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H92 B2 Cl4 Fe2 Mn2 N22 O4 -","- C86 H92 B2 Cl4 Fe2 Mn2 N22 O4 -","- C86 H92 B2 Cl4 Fe2 Mn2 N22 O4 -","1","0.5","","Cho, Kyung Jin; Ryu, Dae Won; Lim, Kwang Soo; Lee, Woo Ram; Lee, Jin Wuk; Koh, Eui Kwan; Hong, Chang Seop","Syntheses, structures, and magnetic properties of cyano- and phenoxide-bridged Fe(III)-Mn(III) tetrameric assemblies formed by blocked fac-Fe tricyanide with aliphatic rings.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5796","5804","10.1039/c3dt32563f","","","0.85","synchrotron","","0.1143","0.0724","","","0.1989","0.2493","","","","","","1.036","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022639","9.604","0.0019","14.817","0.003","30.988","0.006","90","","93.56","0.03","90","","4401.2","1.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H96 B2 Cl4 Fe2 Mn2 N22 O8 -","- C84 H96 B2 Cl4 Fe2 Mn2 N22 O8 -","- C168 H192 B4 Cl8 Fe4 Mn4 N44 O16 -","2","0.5","","Cho, Kyung Jin; Ryu, Dae Won; Lim, Kwang Soo; Lee, Woo Ram; Lee, Jin Wuk; Koh, Eui Kwan; Hong, Chang Seop","Syntheses, structures, and magnetic properties of cyano- and phenoxide-bridged Fe(III)-Mn(III) tetrameric assemblies formed by blocked fac-Fe tricyanide with aliphatic rings.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5796","5804","10.1039/c3dt32563f","","","0.8","synchrotron","","0.0749","0.0615","","","0.1576","0.1657","","","","","","1.056","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022640","9.506","0.0019","15.152","0.003","31.398","0.006","90","","92.33","0.03","90","","4518.7","1.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C88 H108 B2 Fe2 Mn2 N22 O12 -","- C88 H108 B2 Fe2 Mn2 N22 O12 -","- C176 H216 B4 Fe4 Mn4 N44 O24 -","2","0.5","","Cho, Kyung Jin; Ryu, Dae Won; Lim, Kwang Soo; Lee, Woo Ram; Lee, Jin Wuk; Koh, Eui Kwan; Hong, Chang Seop","Syntheses, structures, and magnetic properties of cyano- and phenoxide-bridged Fe(III)-Mn(III) tetrameric assemblies formed by blocked fac-Fe tricyanide with aliphatic rings.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5796","5804","10.1039/c3dt32563f","","","0.9","synchrotron","","0.0842","0.0589","","","0.1464","0.1623","","","","","","1.026","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022641","10.8947","0.0006","10.9708","0.0006","13.9891","0.0007","81.54","0.002","89.016","0.002","87.658","0.002","1652.35","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H23 N3 O13 Zn2 -","- C31 H23 N3 O13 Zn2 -","- C62 H46 N6 O26 Zn4 -","2","1","","Dau, Phuong V.; Polanco, Luis R.; Cohen, Seth M.","Dioxole functionalized metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","4013","4018","10.1039/c3dt32588a","","","0.71073","MoKα","","0.1103","0.0632","","","0.1498","0.1635","","","","","","1.076","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022642","25.896","0.003","25.896","0.003","25.896","0.003","90","","90","","90","","17366","3","200","2","200","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 H0 O19 Zn4 -","- C24 O19 Zn4 -","- C192 O152 Zn32 -","8","0.0416667","","Dau, Phuong V.; Polanco, Luis R.; Cohen, Seth M.","Dioxole functionalized metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","4013","4018","10.1039/c3dt32588a","","","1.54178","CuKα","","0.0537","0.0481","","","0.1543","0.1577","","","","","","1.218","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022643","19.5078","0.0011","19.5078","0.0011","13.815","0.0008","90","","90","","90","","5257.4","0.5","200","2","200","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H8 O12 Zn2 -","- C18 H7 O12 Zn2 -","- C144 H56 O96 Zn16 -","8","1","","Dau, Phuong V.; Polanco, Luis R.; Cohen, Seth M.","Dioxole functionalized metal-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","11","4013","4018","10.1039/c3dt32588a","","","0.71073","MoKα","","0.0533","0.0466","","","0.1169","0.1198","","","","","","1.065","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022644","11.3249","0.0013","12.5257","0.0015","14.309","0.002","76.246","0.004","85.353","0.005","74.044","0.004","1895.3","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H45 Al N10 O2 -","- C38 H45 Al N10 O2 -","- C76 H90 Al2 N20 O4 -","2","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Rodríguez, Ana M; Sánchez-Barba, Luis F; García-Martínez, Joaquín C","Synthesis, structural characterization and catalytic evaluation of the ring-opening polymerization of discrete five-coordinate alkyl aluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9325","9337","10.1039/c3dt32657h","","","0.71073","MoKα","","0.171","0.0611","","","0.1206","0.1621","","","","","","0.93","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022645","12.344","0.0004","14.566","0.0006","23.839","0.0009","90","","90","","90","","4286.3","0.3","230","2","230","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H53 Al N10 O2 -","- C42 H53 Al N10 O2 -","- C168 H212 Al4 N40 O8 -","4","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Rodríguez, Ana M; Sánchez-Barba, Luis F; García-Martínez, Joaquín C","Synthesis, structural characterization and catalytic evaluation of the ring-opening polymerization of discrete five-coordinate alkyl aluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9325","9337","10.1039/c3dt32657h","","","0.71073","MoKα","","0.2126","0.0767","","","0.156","0.2306","","","","","","0.94","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022646","18.826","0.003","14.547","0.004","16.447","0.003","90","","112.58","0.02","90","","4158.9","1.6","230","2","230","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H57 Al N10 O3 -","- C40 H57 Al N10 O3 -","- C160 H228 Al4 N40 O12 -","4","0.5","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Rodríguez, Ana M; Sánchez-Barba, Luis F; García-Martínez, Joaquín C","Synthesis, structural characterization and catalytic evaluation of the ring-opening polymerization of discrete five-coordinate alkyl aluminium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9325","9337","10.1039/c3dt32657h","","","0.71073","MoKα","","0.231","0.069","","","0.1382","0.2233","","","","","","0.794","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022647","9.6694","0.0004","22.8857","0.001","12.1606","0.0004","90","","98.501","0.003","90","","2661.47","0.18","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C12 H30 Cu2 Mo2 N8 O50 Si W10 -","- C12 H16 Cu2 Mo2 N8 O50 Si W10 -","- C24 H32 Cu4 Mo4 N16 O100 Si2 W20 -","2","0.25","","Wang, Yuchao; Li, Fengyan; Xu, Lin; Jiang, Ning; Liu, Xizheng","Multidimensional crystal frameworks based on heteropoly blue building block of [SiW10Mo(V)2O40]6-: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5839","5847","10.1039/c3dt32658f","","","0.71073","MoKα","","0.0807","0.0697","","","0.1855","0.199","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7022648","14.0056","0.0008","23.712","0.0014","24.0086","0.0015","90","","97.326","0.001","90","","7908.2","0.8","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H75 Cu2 Mo2 N5 O54 Si W10 -","- C25 H44 Cu2 Mo2.168 N5 O48 Si W9.832 -","- C100 H176 Cu8 Mo8.672 N20 O192 Si4 W39.328 -","4","1","","Wang, Yuchao; Li, Fengyan; Xu, Lin; Jiang, Ning; Liu, Xizheng","Multidimensional crystal frameworks based on heteropoly blue building block of [SiW10Mo(V)2O40]6-: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5839","5847","10.1039/c3dt32658f","","","0.71073","MoKα","","0.0853","0.0482","","","0.1111","0.1221","","","","","","0.918","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7022649","21.184","","16.634","","20.101","","90","","105.63","","90","","6821.16","","293","2","293","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C36 H120 Cu4 Mo4 N12 O108 Si2 W20 -","- C36 H48 Cu4 Mo3.75 N12 O108 Si2 W20.25 -","- C72 H96 Cu8 Mo7.5 N24 O216 Si4 W40.5 -","2","0.5","","Wang, Yuchao; Li, Fengyan; Xu, Lin; Jiang, Ning; Liu, Xizheng","Multidimensional crystal frameworks based on heteropoly blue building block of [SiW10Mo(V)2O40]6-: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5839","5847","10.1039/c3dt32658f","","","0.71073","MoKα","","0.0764","0.0593","","","0.1209","0.1277","","","","","","1.025","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7022650","12.535","","12.729","","21.473","","78.78","","75.26","","61.18","","2892.55","","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C36 H84 Cu K4.88 Mo4 N12 Na1.13 O92 Si2 W20 -","- C36 H84 Cu K4.5 Mo3.626 N12 Na1.5 O92 Si2 W20.374 -","- C36 H84 Cu K4.5 Mo3.626 N12 Na1.5 O92 Si2 W20.374 -","1","0.5","","Wang, Yuchao; Li, Fengyan; Xu, Lin; Jiang, Ning; Liu, Xizheng","Multidimensional crystal frameworks based on heteropoly blue building block of [SiW10Mo(V)2O40]6-: synthesis, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5839","5847","10.1039/c3dt32658f","","","0.71073","MoKα","","0.0833","0.0494","","","0.0979","0.1022","","","","","","0.916","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022651","11.731","0.002","19.464","0.004","10.997","0.002","90","","93.31","0.03","90","","2506.8","0.8","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H52 Cl2 Cu2 N10 O12 -","- C48 H52 Cl2 Cu2 N10 O12 -","- C96 H104 Cl4 Cu4 N20 O24 -","2","0.5","","Berthet, Nathalie; Martel-Frachet, Véronique; Michel, Fabien; Philouze, Christian; Hamman, Sylvain; Ronot, Xavier; Thomas, Fabrice","Nuclease and anti-proliferative activities of copper(II) complexes of N3O tripodal ligands involving a sterically hindered phenolate.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8468","8483","10.1039/c3dt32659d","","x-ray","0.71073","MoKα","","0.0847","0.0433","","","0.1045","0.1283","","","","","","1.172","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022652","8.7918","0.0018","9.3634","0.0019","19.591","0.004","83.9","0.03","78.29","0.03","83.83","0.03","1564.1","0.6","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H34 Cl2 Cu N4 O10 -","- C27 H34 Cl2 Cu N4 O10 -","- C54 H68 Cl4 Cu2 N8 O20 -","2","1","","Berthet, Nathalie; Martel-Frachet, Véronique; Michel, Fabien; Philouze, Christian; Hamman, Sylvain; Ronot, Xavier; Thomas, Fabrice","Nuclease and anti-proliferative activities of copper(II) complexes of N3O tripodal ligands involving a sterically hindered phenolate.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8468","8483","10.1039/c3dt32659d","","x-ray","0.71073","MoKα","","0.0748","0.0457","","","0.1081","0.1239","","","","","","1.062","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022653","15.395","0.003","10.905","0.002","18.813","0.004","90","","90.54","0.03","90","","3158.2","1.1","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Cl2 Cu N4 O10 -","- C27 H34 Cl2 Cu N4 O10 -","- C108 H136 Cl8 Cu4 N16 O40 -","4","1","","Berthet, Nathalie; Martel-Frachet, Véronique; Michel, Fabien; Philouze, Christian; Hamman, Sylvain; Ronot, Xavier; Thomas, Fabrice","Nuclease and anti-proliferative activities of copper(II) complexes of N3O tripodal ligands involving a sterically hindered phenolate.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8468","8483","10.1039/c3dt32659d","","x-ray","0.71073","MoKα","","0.0796","0.0564","","","0.1451","0.1718","","","","","","1.059","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022654","11.2626","0.0006","11.537","0.0006","12.1698","0.0005","105.999","0.004","97.174","0.004","118.831","0.005","1267.7","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H30 Hg N6 Ni Sb2 Se5 -","- C9 H30 Hg N6 Ni Sb2 Se5 -","- C18 H60 Hg2 N12 Ni2 Sb4 Se10 -","2","1","","Wang, Kai-Yao; Ye, Dong; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying","Novel mercury selenidoantimonates with structures ranging from one-dimensional ribbon to three-dimensional open-framework.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5454","5461","10.1039/c3dt32676d","","","0.71073","MoKα","","0.0595","0.0375","","","0.0605","0.0673","","","","","","1.002","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022655","11.1774","0.0002","20.3003","0.0005","20.8304","0.0006","90","","90","","90","","4726.5","0.2","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C8 H26 Hg Mn N6 Sb2 Se5 -","- C8 H26 Hg Mn N6 Sb2 Se5 -","- C64 H208 Hg8 Mn8 N48 Sb16 Se40 -","8","1","","Wang, Kai-Yao; Ye, Dong; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying","Novel mercury selenidoantimonates with structures ranging from one-dimensional ribbon to three-dimensional open-framework.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5454","5461","10.1039/c3dt32676d","","","0.71073","MoKα","","0.0651","0.0411","","","0.0909","0.1039","","","","","","1.012","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022656","20.4656","0.0007","7.9377","0.0002","15.2026","0.0005","90","","106.515","0.003","90","","2367.77","0.13","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 Hg2 N6 Ni Sb2 Se6 -","- C6 H24 Hg2 N6 Ni Sb2 Se6 -","- C24 H96 Hg8 N24 Ni4 Sb8 Se24 -","4","0.5","","Wang, Kai-Yao; Ye, Dong; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying","Novel mercury selenidoantimonates with structures ranging from one-dimensional ribbon to three-dimensional open-framework.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5454","5461","10.1039/c3dt32676d","","","0.71073","MoKα","","0.0606","0.0421","","","0.0793","0.0895","","","","","","1.002","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022657","15.1754","0.0005","7.9178","0.0003","20.6589","0.0011","90","","90","","90","","2482.29","0.18","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C8 H26 Hg2 N6 Ni Sb2 Se6 -","- C8 H26 Hg2 N6 Ni Sb2 Se6 -","- C32 H104 Hg8 N24 Ni4 Sb8 Se24 -","4","1","","Wang, Kai-Yao; Ye, Dong; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying","Novel mercury selenidoantimonates with structures ranging from one-dimensional ribbon to three-dimensional open-framework.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5454","5461","10.1039/c3dt32676d","","","0.71073","MoKα","","0.0881","0.0587","","","0.0914","0.1024","","","","","","1.004","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022658","11.3895","0.0005","15.5501","0.0007","11.2968","0.0005","90","","90","","90","","2000.75","0.15","296","2","296","2","","","","","","","","6","A b m 2","A 2 -2b","39","","","","- C2 H8 Hg3 N Sb3 Se8 -","- C2 H8 Hg3 N Sb3 Se8 -","- C8 H32 Hg12 N4 Sb12 Se32 -","4","","","Wang, Kai-Yao; Ye, Dong; Zhou, Liu-Jiang; Feng, Mei-Ling; Huang, Xiao-Ying","Novel mercury selenidoantimonates with structures ranging from one-dimensional ribbon to three-dimensional open-framework.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5454","5461","10.1039/c3dt32676d","","","0.71073","MoKα","","0.0766","0.0693","","","0.1705","0.1796","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022659","12.7261","0.0015","10.2498","0.0012","18.184","0.002","90","","90","","90","","2371.9","0.5","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H6 F5 N3 O -","- C12 H6 F5 N3 O -","- C96 H48 F40 N24 O8 -","8","1","","Akhuli, Bidyut; Ghosh, Pradyut","Selective recognition of sulphate in a Cu(II) assisted 1D polymer of a simple pentafluorophenyl substituted pyridyl-urea via second sphere coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5818","5825","10.1039/c3dt32710h","","","0.71073","MoKα","","0.0631","0.0407","","","0.135","0.1558","","","","","","1.038","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022660","17.833","0.002","12.8082","0.0017","26.372","0.003","90","","105.751","0.003","90","","5797.4","1.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Co F15 N13 O12 S -","- C48 H48 Co F15 N13 O12 S -","- C192 H192 Co4 F60 N52 O48 S4 -","4","1","","Akhuli, Bidyut; Ghosh, Pradyut","Selective recognition of sulphate in a Cu(II) assisted 1D polymer of a simple pentafluorophenyl substituted pyridyl-urea via second sphere coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5818","5825","10.1039/c3dt32710h","","","0.71073","MoKα","","0.0416","0.0349","","","0.088","0.0927","","","","","","0.985","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022661","32.1757","0.0018","8.1355","0.0005","25.9525","0.0015","90","","119.347","0.001","90","","5921.6","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 Cu F20 N14 O14 -","- C48 H32 Cu F20 N14 O14 -","- C192 H128 Cu4 F80 N56 O56 -","4","0.5","","Akhuli, Bidyut; Ghosh, Pradyut","Selective recognition of sulphate in a Cu(II) assisted 1D polymer of a simple pentafluorophenyl substituted pyridyl-urea via second sphere coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5818","5825","10.1039/c3dt32710h","","","0.71073","MoKα","","0.0696","0.0411","","","0.1014","0.1178","","","","","","1.012","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022662","11.7823","0.0017","14.103","0.002","23.068","0.003","95.942","0.003","104.696","0.003","111.866","0.003","3356.2","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H38 Cu F20 N14 O10 S -","- C54 H38 Cu F20 N14 O10 S -","- C108 H76 Cu2 F40 N28 O20 S2 -","2","1","","Akhuli, Bidyut; Ghosh, Pradyut","Selective recognition of sulphate in a Cu(II) assisted 1D polymer of a simple pentafluorophenyl substituted pyridyl-urea via second sphere coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5818","5825","10.1039/c3dt32710h","","","0.71073","MoKα","","0.0917","0.0729","","","0.2309","0.2477","","","","","","1.162","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022663","17.8094","0.0011","12.7781","0.0008","26.5467","0.0017","90","","105.688","0.002","90","","5816.2","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 F15 N13 Ni O12 S -","- C48 H38 F15 N13 Ni O12 S -","- C192 H152 F60 N52 Ni4 O48 S4 -","4","1","","Akhuli, Bidyut; Ghosh, Pradyut","Selective recognition of sulphate in a Cu(II) assisted 1D polymer of a simple pentafluorophenyl substituted pyridyl-urea via second sphere coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5818","5825","10.1039/c3dt32710h","","","0.71073","MoKα","","0.0785","0.0522","","","0.1322","0.1518","","","","","","1.045","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022664","32.7","0.005","10.4949","0.0016","23.118","0.006","90","","129.584","0.002","90","","6114","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H31 Cu N7 O9 S -","- C27 H31 Cu N7 O9 S -","- C216 H248 Cu8 N56 O72 S8 -","8","1","","Akhuli, Bidyut; Ghosh, Pradyut","Selective recognition of sulphate in a Cu(II) assisted 1D polymer of a simple pentafluorophenyl substituted pyridyl-urea via second sphere coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5818","5825","10.1039/c3dt32710h","","","0.71073","MoKα","","0.0619","0.0403","","","0.0954","0.1075","","","","","","1.041","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022665","17.8448","0.0013","18.4743","0.0014","20.2807","0.0015","80.002","0.006","68.785","0.005","75.752","0.005","6014.6","0.8","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H100 Gd6 N19 O45 -","- C81 H92 Gd6 N18.5 O37 -","- C162 H184 Gd12 N37 O74 -","2","1","","Anwar, Muhammad U.; Dawe, Louise N.; Tandon, Santokh S.; Bunge, Scott D.; Thompson, Laurence K.","Polynuclear lanthanide (Ln) complexes of a tri-functional hydrazone ligand‒mononuclear (Dy), dinuclear (Yb, Tm), tetranuclear (Gd), and hexanuclear (Gd, Dy, Tb) examples.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7781","7794","10.1039/c3dt32732a","","","0.71075","MoKα","","0.1023","0.0925","","","0.2478","0.2571","","","","","","1.054","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022666","17.8354","0.0013","18.4624","0.0014","20.2003","0.0014","79.794","0.006","68.816","0.005","76.342","0.005","5995.7","0.8","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H112 N19 O43 Tb6 -","- C78 H84 N18 O37 Tb6 -","- C156 H168 N36 O74 Tb12 -","2","1","","Anwar, Muhammad U.; Dawe, Louise N.; Tandon, Santokh S.; Bunge, Scott D.; Thompson, Laurence K.","Polynuclear lanthanide (Ln) complexes of a tri-functional hydrazone ligand‒mononuclear (Dy), dinuclear (Yb, Tm), tetranuclear (Gd), and hexanuclear (Gd, Dy, Tb) examples.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7781","7794","10.1039/c3dt32732a","","","0.71075","MoKα","","0.0865","0.0774","","","0.207","0.2152","","","","","","1.044","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022667","17.738","0.0017","18.4019","0.0017","20.0747","0.0019","79.481","0.001","68.918","0.001","76.306","0.001","5905.9","1","188","2","188","2","","","","","","","","5","P -1","-P 1","2","(Et3NH)(Dy6(L4)6(OAc)6)*9CH3OH*7H2O","","","- C93 H150 Dy6 N19 O53 -","- C85 H104 Dy6 N19 O38 -","- C170 H208 Dy12 N38 O76 -","2","1","","Anwar, Muhammad U.; Dawe, Louise N.; Tandon, Santokh S.; Bunge, Scott D.; Thompson, Laurence K.","Polynuclear lanthanide (Ln) complexes of a tri-functional hydrazone ligand‒mononuclear (Dy), dinuclear (Yb, Tm), tetranuclear (Gd), and hexanuclear (Gd, Dy, Tb) examples.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7781","7794","10.1039/c3dt32732a","","","0.71073","MoKα","","0.064","0.0465","","","0.1339","0.1472","","","","","","0.765","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022668","7.7721","0.0006","13.3326","0.0005","16.0765","0.0004","113.456","0.002","101.544","0.018","93.977","0.015","1476.6","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H33 Dy N8 O13 -","- C20 H33 Dy N8 O13 -","- C40 H66 Dy2 N16 O26 -","2","1","","Anwar, Muhammad U.; Dawe, Louise N.; Tandon, Santokh S.; Bunge, Scott D.; Thompson, Laurence K.","Polynuclear lanthanide (Ln) complexes of a tri-functional hydrazone ligand‒mononuclear (Dy), dinuclear (Yb, Tm), tetranuclear (Gd), and hexanuclear (Gd, Dy, Tb) examples.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7781","7794","10.1039/c3dt32732a","","","0.71073","MoKα","","0.0289","0.0281","","","0.0686","0.07","","","","","","1.076","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022669","8.862","0.002","13.616","0.003","18.749","0.005","85.267","0.008","84.683","0.007","72.526","0.007","2145.1","0.9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H49 N9 O15 Yb2 -","- C35 H49 N9 O15 Yb2 -","- C70 H98 N18 O30 Yb4 -","2","1","","Anwar, Muhammad U.; Dawe, Louise N.; Tandon, Santokh S.; Bunge, Scott D.; Thompson, Laurence K.","Polynuclear lanthanide (Ln) complexes of a tri-functional hydrazone ligand‒mononuclear (Dy), dinuclear (Yb, Tm), tetranuclear (Gd), and hexanuclear (Gd, Dy, Tb) examples.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7781","7794","10.1039/c3dt32732a","","","0.71075","MoKα","","0.1261","0.1085","","","0.2338","0.2416","","","","","","1.21","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022670","9.044","0.008","14.781","0.011","14.491","0.012","90","","113.965","0.017","90","","1770","3","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 N6 O16 Tm2 -","- C26 H36 N6 O16 Tm2 -","- C52 H72 N12 O32 Tm4 -","2","0.5","","Anwar, Muhammad U.; Dawe, Louise N.; Tandon, Santokh S.; Bunge, Scott D.; Thompson, Laurence K.","Polynuclear lanthanide (Ln) complexes of a tri-functional hydrazone ligand‒mononuclear (Dy), dinuclear (Yb, Tm), tetranuclear (Gd), and hexanuclear (Gd, Dy, Tb) examples.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7781","7794","10.1039/c3dt32732a","","","0.71075","MoKα","","0.0321","0.0314","","","0.0781","0.0788","","","","","","1.063","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022671","12.845","0.005","13.379","0.006","15.046","0.007","74.15","0.02","66.72","0.02","64.47","0.02","2126.7","1.7","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H76 Gd4 N12 O29 -","- C73 H76 Gd4 N12 O29 -","- C73 H76 Gd4 N12 O29 -","1","0.5","","Anwar, Muhammad U.; Dawe, Louise N.; Tandon, Santokh S.; Bunge, Scott D.; Thompson, Laurence K.","Polynuclear lanthanide (Ln) complexes of a tri-functional hydrazone ligand‒mononuclear (Dy), dinuclear (Yb, Tm), tetranuclear (Gd), and hexanuclear (Gd, Dy, Tb) examples.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7781","7794","10.1039/c3dt32732a","","","0.71075","MoKα","","0.1041","0.0825","","","0.2392","0.3015","","","","","","1.199","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022672","12.1626","0.0009","12.8067","0.0009","17.0022","0.0013","90","","109.213","0.002","90","","2500.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Cl2 N3 O Ru S -","- C23 H25 Cl2 N3 O Ru S -","- C92 H100 Cl8 N12 O4 Ru4 S4 -","4","1","","Adams, Muneebah; Li, Yiqun; Khot, Heena; De Kock, Carmen; Smith, Peter J.; Land, Kirkwood; Chibale, Kelly; Smith, Gregory S.","The synthesis and antiparasitic activity of aryl- and ferrocenyl-derived thiosemicarbazone ruthenium(II)-arene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4677","4685","10.1039/c3dt32740j","","","0.71073","MoKα","","0.0489","0.0353","","","0.0876","0.0952","","","","","","1.012","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022673","8.7415","0.0011","15.2796","0.0009","15.5035","0.0016","112.633","0.009","92.38","0.007","94.048","0.009","1901.2","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H80 Fe3 N12 O40 S2 -","- C58 H68 Fe3 N12 O40 S2 -","- C58 H68 Fe3 N12 O40 S2 -","1","0.5","","Maxim, Catalin; Pardo, Emilio; Hosseini, Mir Wais; Ferlay, Sylvie; Train, Cyrille","The odd association of a C(3h) trisamidinium cation and tosylate anion with a series of linear oxalate-bridged trinuclear heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4704","4713","10.1039/c3dt32770a","","","0.5608","AgKα","","0.0986","0.0659","","","0.1279","0.1449","","","","","","1.084","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022674","8.8522","0.0009","15.276","0.0008","15.5174","0.0012","112.976","0.001","92.716","0.007","94.762","0.008","1917.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H80 Co Fe2 N12 O40 S2 -","- C58 H80 Co Fe2 N12 O40 S2 -","- C58 H80 Co Fe2 N12 O40 S2 -","1","0.5","","Maxim, Catalin; Pardo, Emilio; Hosseini, Mir Wais; Ferlay, Sylvie; Train, Cyrille","The odd association of a C(3h) trisamidinium cation and tosylate anion with a series of linear oxalate-bridged trinuclear heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4704","4713","10.1039/c3dt32770a","","","0.5608","AgKα","","0.1334","0.0733","","","0.1386","0.1689","","","","","","1.115","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022675","8.7134","0.0002","15.3318","0.0003","15.4825","0.0004","112.481","0.001","92.532","0.001","94.823","0.001","1897.84","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H80 Cr2 Mn N12 O40 S2 -","- C58 H80 Cr2 Mn N12 O40 S2 -","- C58 H80 Cr2 Mn N12 O40 S2 -","1","0.5","","Maxim, Catalin; Pardo, Emilio; Hosseini, Mir Wais; Ferlay, Sylvie; Train, Cyrille","The odd association of a C(3h) trisamidinium cation and tosylate anion with a series of linear oxalate-bridged trinuclear heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4704","4713","10.1039/c3dt32770a","","","0.71073","MoKα","","0.0463","0.042","","","0.108","0.1117","","","","","","1.043","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022676","8.7301","0.0002","15.2924","0.0004","15.4365","0.0004","112.555","0.001","92.74","0.001","94.837","0.001","1889.22","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H80 Cr2 Fe N12 O40 S2 -","- C58 H80 Cr2 Fe N12 O40 S2 -","- C58 H80 Cr2 Fe N12 O40 S2 -","1","0.5","","Maxim, Catalin; Pardo, Emilio; Hosseini, Mir Wais; Ferlay, Sylvie; Train, Cyrille","The odd association of a C(3h) trisamidinium cation and tosylate anion with a series of linear oxalate-bridged trinuclear heterometallic complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4704","4713","10.1039/c3dt32770a","","","0.71073","MoKα","","0.0379","0.0345","","","0.0897","0.093","","","","","","0.894","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022677","13.0697","0.0006","18.4567","0.0008","25.6633","0.0011","89.901","0.003","85.951","0.003","71.067","0.003","5839.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C118 H92 Au2 F6 N8 O6 S2 -","- C118 H92 Au2 F6 N8 O6 S2 -","- C236 H184 Au4 F12 N16 O12 S4 -","2","1","","Mullick, Amrita B.; Chang, Yun Min; Ghiviriga, Ion; Abboud, Khalil A.; Tan, Weihong; Veige, Adam S.","Human cancerous and healthy cell cytotoxicity studies of a chiral μ-dicarbene-digold(I) metallamacrocycle.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7440","7446","10.1039/c3dt32844a","","","0.71073","MoKα","","0.0467","0.0334","","","0.0826","0.0862","","","","","","0.994","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022678","10.211","0.0013","21.1459","0.0017","18.616","0.0013","90","","106.805","0.008","90","","3847.9","0.7","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H58 B N3 -","- C43 H58 B N3 -","- C172 H232 B4 N12 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.1399","0.0767","","","0.1388","0.1735","","","","","","1.175","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022679","12.5801","0.0013","15.293","0.0014","19.071","0.0019","90","","125.552","0.007","90","","2985.1","0.6","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H42 B N3 -","- C35 H42 B N3 -","- C140 H168 B4 N12 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.1103","0.0642","","","0.118","0.1433","","","","","","1.161","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022680","9.803","0.0005","17.1271","0.0011","15.192","0.0012","90","","108.461","0.006","90","","2419.4","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 B N3 -","- C27 H34 B N3 -","- C108 H136 B4 N12 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.1149","0.0665","","","0.1297","0.1572","","","","","","1.185","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022681","9.439","0.0004","9.5611","0.0005","11.676","0.0003","90","","90","","90","","1053.73","0.08","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 B Cl2 N -","- C9 H12 B Cl2 N -","- C36 H48 B4 Cl8 N4 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.0321","0.0269","","","0.0617","0.0657","","","","","","1.122","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022682","13.411","0.001","10.326","0.0009","26.2331","0.0018","90","","115.566","0.006","90","","3277.1","0.5","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 B N3 -","- C35 H50 B N3 -","- C140 H200 B4 N12 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.1276","0.0775","","","0.1588","0.1986","","","","","","1.109","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022683","13.584","0.0003","6.9169","0.0007","12.8092","0.0007","90","","90","","90","","1203.54","0.14","150","2","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H14 B Cl2 N -","- C11 H14 B Cl2 N -","- C44 H56 B4 Cl8 N4 -","4","0.5","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.0589","0.044","","","0.1038","0.1164","","","","","","1.138","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022684","10.3891","0.0009","10.225","0.0004","20.582","0.0015","90","","102.468","0.007","90","","2134.8","0.3","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 B N2 -","- C25 H29 B N2 -","- C100 H116 B4 N8 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.0988","0.0579","","","0.1149","0.1388","","","","","","1.168","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022685","8.947","0.0006","20.765","0.002","17.1239","0.0015","90","","98.56","0.007","90","","3145.9","0.5","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H50 B N3 -","- C35 H50 B N3 -","- C140 H200 B4 N12 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.1173","0.076","","","0.1591","0.188","","","","","","1.097","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022686","8.84","0.0007","11.216","0.0007","15.6841","0.0012","90","","90","","90","","1555.1","0.2","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 B Cl N -","- C17 H19 B Cl N -","- C68 H76 B4 Cl4 N4 -","4","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.046","0.0392","","","0.0945","0.1017","","","","","","1.11","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022687","8.328","0.0006","15.7381","0.0016","30.885","0.002","90","","90","","90","","4048","0.6","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H36 B N -","- C23 H36 B N -","- C184 H288 B8 N8 -","8","1","","Hejda, Martin; Lyčka, Antonín; Jambor, Roman; Růžička, Aleš; Dostál, Libor","Reactivity of C,N-chelated organoboron compounds with lithium anilides‒formation of unexpected 1,2,3-trisubstituted 1H-2,1-benzazaboroles.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6417","6428","10.1039/c3dt32850c","","","0.71073","MoKα","","0.0901","0.0589","","","0.1139","0.1304","","","","","","1.166","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022688","35.748","0.0018","18.52","0.0009","24.411","0.0013","90","","118.62","0.001","90","","14186.7","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H14 Cd3 N3 O15 -","- C42.5 H14 Cd3 N3 O15 -","- C340 H112 Cd24 N24 O120 -","8","1","","Sun, Libo; Xing, Hongzhu; Xu, Jin; Liang, Zhiqiang; Yu, Jihong; Xu, Ruren","A novel (3,3,6)-connected luminescent metal-organic framework for sensing of nitroaromatic explosives.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5508","5513","10.1039/c3dt32851a","","","0.71073","MoKα","","0.0905","0.0526","","","0.1337","0.1447","","","","","","1.009","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022689","15.104","0.003","25.92","0.005","30.28","0.006","90","","90","","90","","11854","4","293","2","293","2","","","","","","","","8","I m m m","-I 2 2","71","","","","- C20 H194 Cu5 Ge8 N20 Na10 Nb32 O163 -","- C20 H64 Cu5 Ge8 N20 Na10 Nb32 O140 -","- C40 H128 Cu10 Ge16 N40 Na20 Nb64 O280 -","2","0.125","","Shen, Jian-Qiang; Yao, Shuang; Zhang, Zhi-Ming; Wu, Hai-Hong; Zhang, Tian-Zhan; Wang, En-Bo","Self-assembly and photocatalytic property of germanoniobate [H6Ge4Nb16O56]10-: encapsulating four {GeO4} tetrahedra within a {Nb16} cage.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5812","5817","10.1039/c3dt32855d","","","0.71073","MoKα","","0.0976","0.0665","","","0.1913","0.2095","","","","","","1.053","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022690","13.092","0.003","20.171","0.004","17.283","0.004","90","","100.25","0.03","90","","4491.2","1.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H116 Cu5 N20 Na6 Nb12 O56 -","- C20 H80 Cu5 N20 Na6 Nb12 O56 -","- C40 H160 Cu10 N40 Na12 Nb24 O112 -","2","0.5","","Shen, Jian-Qiang; Yao, Shuang; Zhang, Zhi-Ming; Wu, Hai-Hong; Zhang, Tian-Zhan; Wang, En-Bo","Self-assembly and photocatalytic property of germanoniobate [H6Ge4Nb16O56]10-: encapsulating four {GeO4} tetrahedra within a {Nb16} cage.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5812","5817","10.1039/c3dt32855d","","","0.71073","MoKα","","0.0591","0.0425","","","0.0767","0.0813","","","","","","1.128","","","","has coordinates","183806","2020-10-21","18:00:00",""
"7022691","21.6985","0.0017","16.7201","0.0013","17.7371","0.0014","90","","112.57","0.002","90","","5942.2","0.8","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H38 Cl2 N2 Pd -","- C31.5 H38 Cl2 N2 Pd -","- C252 H304 Cl16 N16 Pd8 -","8","2","","Kolychev, Eugene L.; Asachenko, Andrey F.; Dzhevakov, Pavel B.; Bush, Alexander A.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Nechaev, Mikhail S.","Expanded ring diaminocarbene palladium complexes: synthesis, structure, and Suzuki-Miyaura cross-coupling of heteroaryl chlorides in water.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6859","6866","10.1039/c3dt32860k","","","0.71073","MoKα","","0.0664","0.052","","","0.1362","0.1545","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022692","14.3349","0.0008","15.0596","0.0008","17.9807","0.001","90","","90","","90","","3881.6","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H59 Cl N2 O Pd -","- C41 H59 Cl N2 O Pd -","- C164 H236 Cl4 N8 O4 Pd4 -","4","1","","Kolychev, Eugene L.; Asachenko, Andrey F.; Dzhevakov, Pavel B.; Bush, Alexander A.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Nechaev, Mikhail S.","Expanded ring diaminocarbene palladium complexes: synthesis, structure, and Suzuki-Miyaura cross-coupling of heteroaryl chlorides in water.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6859","6866","10.1039/c3dt32860k","","","0.71073","MoKα","","0.066","0.043","","","0.0934","0.1022","","","","","","1.011","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022693","8.2603","0.0004","10.4211","0.0005","16.2545","0.0007","95.649","0.001","90.173","0.001","103.693","0.001","1352.34","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 Cl N2 Pd -","- C30 H33 Cl N2 Pd -","- C60 H66 Cl2 N4 Pd2 -","2","1","","Kolychev, Eugene L.; Asachenko, Andrey F.; Dzhevakov, Pavel B.; Bush, Alexander A.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Nechaev, Mikhail S.","Expanded ring diaminocarbene palladium complexes: synthesis, structure, and Suzuki-Miyaura cross-coupling of heteroaryl chlorides in water.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6859","6866","10.1039/c3dt32860k","","","0.71073","MoKα","","0.0232","0.0207","","","0.0521","0.0538","","","","","","1.002","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022694","27.8782","0.0017","15.5946","0.001","19.7653","0.0012","90","","113.914","0.001","90","","7855.3","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H51 Cl N2 Pd -","- C38 H51 Cl N2 Pd -","- C304 H408 Cl8 N16 Pd8 -","8","1","","Kolychev, Eugene L.; Asachenko, Andrey F.; Dzhevakov, Pavel B.; Bush, Alexander A.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Nechaev, Mikhail S.","Expanded ring diaminocarbene palladium complexes: synthesis, structure, and Suzuki-Miyaura cross-coupling of heteroaryl chlorides in water.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6859","6866","10.1039/c3dt32860k","","","0.71073","MoKα","","0.0704","0.0392","","","0.0782","0.0839","","","","","","1.01","","","","has coordinates,has disorder","179931","2020-10-21","18:00:00",""
"7022695","18.5263","0.0013","9.5695","0.0007","31.83","0.002","90","","90","","90","","5643.1","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H39 Cl N2 Pd -","- C32 H39 Cl N2 Pd -","- C256 H312 Cl8 N16 Pd8 -","8","1","","Kolychev, Eugene L.; Asachenko, Andrey F.; Dzhevakov, Pavel B.; Bush, Alexander A.; Shuntikov, Viacheslav V.; Khrustalev, Victor N.; Nechaev, Mikhail S.","Expanded ring diaminocarbene palladium complexes: synthesis, structure, and Suzuki-Miyaura cross-coupling of heteroaryl chlorides in water.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6859","6866","10.1039/c3dt32860k","","","0.71073","MoKα","","0.0534","0.031","","","0.0619","0.0694","","","","","","1.018","","","","has coordinates","179931","2020-10-21","18:00:00",""
"7022696","9.9544","0.0006","11.7155","0.0007","13.5215","0.0008","66.897","0.001","87.033","0.002","76.402","0.002","1408.32","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Eu N4 O11 -","- C21 H22 Eu N4 O11 -","- C42 H44 Eu2 N8 O22 -","2","1","","Fang, Ming; Li, Ji-Jing; Shi, Peng-Fei; Zhao, Bin; Cheng, Peng","Structures, luminescence, and slow magnetic relaxation of eight 3D lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6553","6563","10.1039/c3dt32861a","","","0.71075","MoKα","","0.0452","0.0407","","","0.119","0.1218","","","","","","1.18","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7022697","9.9008","0.0013","11.6556","0.0016","13.4354","0.0018","66.832","0.003","87.019","0.003","76.377","0.003","1383.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Gd N4 O11 -","- C21 H22 Gd N4 O11 -","- C42 H44 Gd2 N8 O22 -","2","1","","Fang, Ming; Li, Ji-Jing; Shi, Peng-Fei; Zhao, Bin; Cheng, Peng","Structures, luminescence, and slow magnetic relaxation of eight 3D lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6553","6563","10.1039/c3dt32861a","","","0.71075","MoKα","","0.1237","0.089","","","0.1974","0.2201","","","","","","1.1","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7022698","9.964","0.019","11.57","0.03","13.32","0.02","67.7","0.08","87.18","0.04","76.68","0.07","1381","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N4 O11 Tb -","- C21 H22 N4 O11 Tb -","- C42 H44 N8 O22 Tb2 -","2","1","","Fang, Ming; Li, Ji-Jing; Shi, Peng-Fei; Zhao, Bin; Cheng, Peng","Structures, luminescence, and slow magnetic relaxation of eight 3D lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6553","6563","10.1039/c3dt32861a","","","0.71075","MoKα","","0.0682","0.0577","","","0.1399","0.146","","","","","","1.13","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7022699","9.8856","0.0016","11.6827","0.0019","13.441","0.002","66.863","0.004","86.995","0.004","76.582","0.004","1387.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Dy N4 O11 -","- C21 H22 Dy N4 O11 -","- C42 H44 Dy2 N8 O22 -","2","1","","Fang, Ming; Li, Ji-Jing; Shi, Peng-Fei; Zhao, Bin; Cheng, Peng","Structures, luminescence, and slow magnetic relaxation of eight 3D lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6553","6563","10.1039/c3dt32861a","","","0.71075","MoKα","","0.0855","0.0824","","","0.1938","0.1956","","","","","","1.129","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7022700","9.2236","0.0012","10.3657","0.0013","12.8839","0.0018","75.576","0.011","69.469","0.013","86.168","0.01","1116.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Eu N5 O9 -","- C18 H20 Eu N5 O9 -","- C36 H40 Eu2 N10 O18 -","2","1","","Fang, Ming; Li, Ji-Jing; Shi, Peng-Fei; Zhao, Bin; Cheng, Peng","Structures, luminescence, and slow magnetic relaxation of eight 3D lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6553","6563","10.1039/c3dt32861a","","","0.71073","MoKα","","0.0751","0.0683","","","0.1854","0.1942","","","","","","1.097","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022701","24.529","0.002","9.3582","0.0008","10.3822","0.0009","90","","97.236","0.002","90","","2364.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Gd N5 O9 -","- C18 H8 Gd N5 O9 -","- C72 H32 Gd4 N20 O36 -","4","0.5","","Fang, Ming; Li, Ji-Jing; Shi, Peng-Fei; Zhao, Bin; Cheng, Peng","Structures, luminescence, and slow magnetic relaxation of eight 3D lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6553","6563","10.1039/c3dt32861a","","","0.71075","MoKα","","0.0358","0.033","","","0.085","0.0864","","","","","","1.102","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022702","24.481","0.002","9.3535","0.0008","10.3669","0.0009","90","","97.336","0.003","90","","2354.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N5 O9 Tb -","- C18 H6 N5 O10 Tb -","- C72 H24 N20 O40 Tb4 -","4","0.5","","Fang, Ming; Li, Ji-Jing; Shi, Peng-Fei; Zhao, Bin; Cheng, Peng","Structures, luminescence, and slow magnetic relaxation of eight 3D lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6553","6563","10.1039/c3dt32861a","","","0.71075","MoKα","","0.0595","0.0563","","","0.1498","0.1528","","","","","","1.114","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022703","24.402","0.003","9.3439","0.0009","10.3469","0.0011","90","","97.371","0.003","90","","2339.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Dy N5 O9 -","- C18 H8 Dy N5 O9 -","- C72 H32 Dy4 N20 O36 -","4","0.5","","Fang, Ming; Li, Ji-Jing; Shi, Peng-Fei; Zhao, Bin; Cheng, Peng","Structures, luminescence, and slow magnetic relaxation of eight 3D lanthanide-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6553","6563","10.1039/c3dt32861a","","","0.71075","MoKα","","0.0365","0.034","","","0.0759","0.0768","","","","","","1.114","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7022704","11.7942","0.0001","13.4042","0.0002","24.0538","0.0003","75.211","0.001","76.71","0.001","78.358","0.002","3536.64","0.08","120","","120","","","","","","","","","7","P -1","-P 1","2","","Bis(tetra-n-butylammonium) octakis(m3-bromo)- hexakis(trifluoroacetato)-hexa-molybdenum","","- C44 H72 Br8 F18 Mo6 N2 O12 -","- C44.0004 H72.0018 Br8 F18 Mo6 N2 O12 -","- C88.0008 H144.004 Br16 F36 Mo12 N4 O24 -","2","1","","Kirakci, Kaplan; Kubát, Pavel; Langmaier, Jan; Polívka, Tomáš; Fuciman, Marcel; Fejfarová, Karla; Lang, Kamil","A comparative study of the redox and excited state properties of (nBu4N)2[Mo6X14] and (nBu4N)2[Mo6X8(CF3COO)6] (X = Cl, Br, or I).","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7224","7232","10.1039/c3dt32863e","","","0.7107","MoKα","","0.0462","0.0301","","0.0892","0.0826","0.0892","","","1.33","1.41","1.41","1.33","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022705","10.62017","0.00015","10.62017","0.00015","9.84171","0.00014","90","","90","","120","","961.31","0.02","293","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Guo, Ping-Chun; Chu, Zhenyu; Ren, Xiao-Ming; Ning, Wei-Hua; Jin, Wanqin","Comparative study of structures, thermal stabilities and dielectric properties for a ferroelectric MOF [Sr(μ-BDC)(DMF)]∞with its solvent-free framework.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6603","6610","10.1039/c3dt32880e","","","1.54184","CuKα","","0.0242","0.0242","","","0.0642","0.0642","","","","","","1.071","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022706","10.6396","0.0003","10.6396","0.0003","9.8731","0.0003","90","","90","","120","","967.91","0.05","403","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Guo, Ping-Chun; Chu, Zhenyu; Ren, Xiao-Ming; Ning, Wei-Hua; Jin, Wanqin","Comparative study of structures, thermal stabilities and dielectric properties for a ferroelectric MOF [Sr(μ-BDC)(DMF)]∞with its solvent-free framework.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6603","6610","10.1039/c3dt32880e","","","1.54184","CuKα","","0.0231","0.023","","","0.0636","0.0636","","","","","","1.148","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022707","10.6123","0.0002","10.6123","0.0002","9.8289","0.0002","90","","90","","120","","958.64","0.03","243","2","243","2","","","","","","","","5","P 31","P 31","144","","","","- C11 H11 N O5 Sr -","- C11 H11 N O5 Sr -","- C33 H33 N3 O15 Sr3 -","3","1","","Guo, Ping-Chun; Chu, Zhenyu; Ren, Xiao-Ming; Ning, Wei-Hua; Jin, Wanqin","Comparative study of structures, thermal stabilities and dielectric properties for a ferroelectric MOF [Sr(μ-BDC)(DMF)]∞with its solvent-free framework.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6603","6610","10.1039/c3dt32880e","","","1.54184","CuKα","","0.0204","0.0204","","","0.0553","0.0554","","","","","","1.115","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022708","11.1","0.002","12.745","0.003","21.549","0.006","86.141","0.018","85.522","0.018","64.633","0.012","2744.2","1.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H80 Li4 N12 O -","- C52 H80 Li4 N12 O -","- C104 H160 Li8 N24 O2 -","2","1","","Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Unprecedented reaction of bridged bis(guanidinate) lanthanide complexes: sterically induced deprotonation.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7009","7018","10.1039/c3dt32882a","","","0.71075","MoKα","","0.1753","0.0854","","","0.1961","0.2497","","","","","","1.012","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022709","13.8453","0.0006","12.2986","0.0004","20.3408","0.0009","90","","93.541","0.004","90","","3457","0.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Cl N6 O2 Yb -","- C32 H52 Cl N6 O2 Yb -","- C128 H208 Cl4 N24 O8 Yb4 -","4","0.5","","Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Unprecedented reaction of bridged bis(guanidinate) lanthanide complexes: sterically induced deprotonation.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7009","7018","10.1039/c3dt32882a","","","0.7107","MoKα","","0.038","0.033","","","0.0756","0.0777","","","","","","1.031","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022710","13.835","0.005","12.374","0.005","20.243","0.008","90","","93.448","0.01","90","","3459","2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H52 Cl N6 O2 Y -","- C32 H52 Cl N6 O2 Y -","- C128 H208 Cl4 N24 O8 Y4 -","4","0.5","","Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Unprecedented reaction of bridged bis(guanidinate) lanthanide complexes: sterically induced deprotonation.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7009","7018","10.1039/c3dt32882a","","","0.71075","MoKα","","0.1051","0.0717","","","0.175","0.2126","","","","","","0.97","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022711","27.103","0.007","18.045","0.005","16.717","0.005","90","","105.444","0.007","90","","7881","4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H126 N12 O7 Yb2 -","- C76 H86 N12 O7 Yb2 -","- C304 H344 N48 O28 Yb8 -","4","0.5","","Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Unprecedented reaction of bridged bis(guanidinate) lanthanide complexes: sterically induced deprotonation.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7009","7018","10.1039/c3dt32882a","","","0.71075","MoKα","","0.0923","0.0718","","","0.1459","0.1702","","","","","","1.188","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022712","27.2799","0.0011","18.1316","0.0007","16.7684","0.0007","90","","105.244","0.004","90","","8002.3","0.6","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H126 N12 O7 Y2 -","- C76 H86 N12 O7 Y2 -","- C304 H344 N48 O28 Y8 -","4","0.5","","Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Unprecedented reaction of bridged bis(guanidinate) lanthanide complexes: sterically induced deprotonation.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7009","7018","10.1039/c3dt32882a","","","0.7107","MoKα","","0.0732","0.0492","","","0.1279","0.1374","","","","","","1.04","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022713","11.4364","0.0018","12.8922","0.0015","15.651","0.003","72.96","0.02","84.03","0.03","64.624","0.019","1992.8","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H106 Cl2 N14 Yb2 -","- C81 H98 Cl2 N14 Yb2 -","- C81 H98 Cl2 N14 Yb2 -","1","0.5","","Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Unprecedented reaction of bridged bis(guanidinate) lanthanide complexes: sterically induced deprotonation.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7009","7018","10.1039/c3dt32882a","","","0.71075","MoKα","","0.059","0.051","","","0.1167","0.1275","","","","","","1.111","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022714","11.5151","0.0006","12.9495","0.0008","13.0112","0.0007","98.036","0.005","92.863","0.004","116.207","0.006","1709.95","0.19","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H96 N14 O Yb2 -","- C66 H88 N14 O Yb2 -","- C66 H88 N14 O Yb2 -","1","0.5","","Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Unprecedented reaction of bridged bis(guanidinate) lanthanide complexes: sterically induced deprotonation.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7009","7018","10.1039/c3dt32882a","","","0.7107","MoKα","","0.0521","0.0434","","","0.1046","0.1091","","","","","","1.039","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022715","17.413","0.0012","12.405","0.0016","17.896","0.0008","90","","91.474","0.006","90","","3864.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 I2 N4 O2 -","- C36 H52 I2 N4 O2 -","- C144 H208 I8 N16 O8 -","4","1","","Gardiner, Michael G.; Ho, Curtis C.; Mackay, Felicity M.; McGuinness, David S.; Tucker, Matthew","Selective and adaptable access to N,N'-asymmetrically substituted imidazol-2-ylidene bis-NHC ligands: Pd(II) complexes featuring wide variation in N-alkyl and aryl steric bulk.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7447","7457","10.1039/c3dt32895c","","","0.7108","Synchrotron","","0.0895","0.0544","","","0.1349","0.1537","","","","","","1.025","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022716","10.116","0.001","15.408","0.0013","15.405","0.0016","90","","103.568","0.005","90","","2334.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 I2 N4 O Pd S -","- C19 H26 I2 N4 O Pd S -","- C76 H104 I8 N16 O4 Pd4 S4 -","4","1","","Gardiner, Michael G.; Ho, Curtis C.; Mackay, Felicity M.; McGuinness, David S.; Tucker, Matthew","Selective and adaptable access to N,N'-asymmetrically substituted imidazol-2-ylidene bis-NHC ligands: Pd(II) complexes featuring wide variation in N-alkyl and aryl steric bulk.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7447","7457","10.1039/c3dt32895c","","","0.7108","Synchrotron","","0.0546","0.0534","","","0.1329","0.1336","","","","","","1.071","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022717","18.854","0.002","19.529","0.002","12.14","0.004","90","","90","","90","","4469.9","1.6","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C38 H52 Cl2 I2 N8 O2 Pd2 -","- C38 H50 Cl2 I2 N8 O2 Pd2 -","- C152 H200 Cl8 I8 N32 O8 Pd8 -","4","0.5","","Gardiner, Michael G.; Ho, Curtis C.; Mackay, Felicity M.; McGuinness, David S.; Tucker, Matthew","Selective and adaptable access to N,N'-asymmetrically substituted imidazol-2-ylidene bis-NHC ligands: Pd(II) complexes featuring wide variation in N-alkyl and aryl steric bulk.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7447","7457","10.1039/c3dt32895c","","","0.7108","Synchrotron","","0.079","0.0667","","","0.1868","0.1989","","","","","","1.052","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022718","17.853","0.0016","12.24","0.002","15.18","0.003","90","","91.862","0.008","90","","3315.4","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Cl6 N4 Pd -","- C30 H38 Cl6 N4 Pd -","- C120 H152 Cl24 N16 Pd4 -","4","1","","Gardiner, Michael G.; Ho, Curtis C.; Mackay, Felicity M.; McGuinness, David S.; Tucker, Matthew","Selective and adaptable access to N,N'-asymmetrically substituted imidazol-2-ylidene bis-NHC ligands: Pd(II) complexes featuring wide variation in N-alkyl and aryl steric bulk.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7447","7457","10.1039/c3dt32895c","","","0.7108","Synchrotron","","0.1111","0.0976","","","0.2597","0.2755","","","","","","1.05","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022719","10.96","0.003","11.469","0.0017","13.214","0.0016","78.309","0.006","82.023","0.011","63.41","0.011","1452.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 F12 N6 P2 Pd -","- C21 H26 F12 N6 P2 Pd -","- C42 H52 F24 N12 P4 Pd2 -","2","1","","Gardiner, Michael G.; Ho, Curtis C.; Mackay, Felicity M.; McGuinness, David S.; Tucker, Matthew","Selective and adaptable access to N,N'-asymmetrically substituted imidazol-2-ylidene bis-NHC ligands: Pd(II) complexes featuring wide variation in N-alkyl and aryl steric bulk.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7447","7457","10.1039/c3dt32895c","","","0.7108","Synchrotron","","0.0553","0.0509","","","0.1332","0.1365","","","","","","1.029","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022720","8.55","0.0018","16.632","0.0013","10.956","0.0009","90","","98.33","0.03","90","","1541.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Cl N2 -","- C15 H21 Cl N2 -","- C60 H84 Cl4 N8 -","4","1","","Gardiner, Michael G.; Ho, Curtis C.; Mackay, Felicity M.; McGuinness, David S.; Tucker, Matthew","Selective and adaptable access to N,N'-asymmetrically substituted imidazol-2-ylidene bis-NHC ligands: Pd(II) complexes featuring wide variation in N-alkyl and aryl steric bulk.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7447","7457","10.1039/c3dt32895c","","","0.7109","Synchrotron","","0.0486","0.0478","","","0.1179","0.1185","","","","","","1.089","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022721","9.031","0.0013","13.251","0.0009","17.835","0.0015","92.644","0.005","104.078","0.012","93.119","0.011","2063.3","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H38 Cl4 F12 N6 P2 Pd -","- C31 H38 Cl4 F12 N6 P2 Pd -","- C62 H76 Cl8 F24 N12 P4 Pd2 -","2","1","","Gardiner, Michael G.; Ho, Curtis C.; Mackay, Felicity M.; McGuinness, David S.; Tucker, Matthew","Selective and adaptable access to N,N'-asymmetrically substituted imidazol-2-ylidene bis-NHC ligands: Pd(II) complexes featuring wide variation in N-alkyl and aryl steric bulk.","Dalton transactions (Cambridge, England : 2003)","2013","42","20","7447","7457","10.1039/c3dt32895c","","","0.7108","Synchrotron","","0.0594","0.0537","","","0.1379","0.1479","","","","","","1.108","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022722","11.1258","0.0007","16.224","0.001","27.441","0.002","90","","99.718","0.003","90","","4882.2","0.6","200.1","","200.1","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H48 O P3 Rh Si -","- C61 H48 O P3 Rh Si -","- C244 H192 O4 P12 Rh4 Si4 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Si-C bond cleavage by hydride complexes of rhodium and iridium: comparison of Si-C(sp(2)) and Si-C(sp(3)) activation.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4663","4669","10.1039/c3dt32896a","","","0.7107","MoKα","","","0.0582","","","","0.1771","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022723","12.0136","0.0007","12.8856","0.0005","17.6972","0.0011","94.38","0.003","105.563","0.003","90.173","0.002","2630.6","0.2","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H50 Cl4 O P3 Rh Si -","- C58 H50 Cl4 O P3 Rh Si -","- C116 H100 Cl8 O2 P6 Rh2 Si2 -","2","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Si-C bond cleavage by hydride complexes of rhodium and iridium: comparison of Si-C(sp(2)) and Si-C(sp(3)) activation.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4663","4669","10.1039/c3dt32896a","","","0.7107","MoKα","","0.0471","0.0428","","","0.1037","0.1062","","","","","","1.075","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022724","12.272","0.003","12.984","0.003","16.181","0.004","80.866","0.006","85.51","0.006","68.89","0.005","2374.1","1","200.1","","200.1","","","","","","","","","6","P -1","-P 1","2","","","","- C57 H48 O P3 Rh Si -","- C57 H48 O P3 Rh Si -","- C114 H96 O2 P6 Rh2 Si2 -","2","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Si-C bond cleavage by hydride complexes of rhodium and iridium: comparison of Si-C(sp(2)) and Si-C(sp(3)) activation.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4663","4669","10.1039/c3dt32896a","","","0.7107","MoKα","","","0.0369","","","","0.1118","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022725","12.039","0.002","20.1","0.004","21.779","0.005","90","","104.258","0.002","90","","5107.8","1.8","200.1","","200.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H49.5 Ir O1.5 P3 Si -","- C62 H49.5 Ir O1.5 P3 Si -","- C248 H198 Ir4 O6 P12 Si4 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Si-C bond cleavage by hydride complexes of rhodium and iridium: comparison of Si-C(sp(2)) and Si-C(sp(3)) activation.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4663","4669","10.1039/c3dt32896a","","","0.7107","MoKα","","","0.0417","","","","0.094","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022726","12.02","0.002","12.852","0.003","17.695","0.003","85.644","0.004","74.36","0.004","90.106","0.005","2624","0.9","200.1","","200.1","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H50 Cl4 Ir O P3 Si -","- C58 H50 Cl4 Ir O P3 Si -","- C116 H100 Cl8 Ir2 O2 P6 Si2 -","2","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Si-C bond cleavage by hydride complexes of rhodium and iridium: comparison of Si-C(sp(2)) and Si-C(sp(3)) activation.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4663","4669","10.1039/c3dt32896a","","","0.7107","MoKα","","","0.0315","","","","0.093","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022727","12.104","0.003","21.128","0.005","19.248","0.005","90","","91.887","0.003","90","","4920","2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H53 Ir O1.5 P3 Si -","- C59 H53 Ir O1.5 P3 Si -","- C236 H212 Ir4 O6 P12 Si4 -","4","1","","Kameo, Hajime; Ishii, Sho; Nakazawa, Hiroshi","Si-C bond cleavage by hydride complexes of rhodium and iridium: comparison of Si-C(sp(2)) and Si-C(sp(3)) activation.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4663","4669","10.1039/c3dt32896a","","","0.7107","MoKα","","0.0555","0.0482","","","0.0904","0.0927","","","","","","1.23","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022728","17.523","0.004","5.8825","0.0017","17.164","0.003","90","","90","","90","","1769.2","0.7","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C8 H12 Cd N6 O6 S3 -","- C8 H12 Cd N6 O6 S3 -","- C32 H48 Cd4 N24 O24 S12 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Li, Guang-Hua; Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","New thiocyanatocadmates templated by multi-dentate N-heterocyclic/diamine molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6429","6439","10.1039/c3dt32900c","","","0.71073","MoKα","","0.0457","0.0433","","","0.1225","0.1251","","","","","","1.011","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022729","6.7918","0.0003","11.1504","0.0007","12.7737","0.0009","88.191","0.004","89.623","0.004","84.908","0.004","963.06","0.1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H40 Br0 Cd2 Cl0 N12 O14 S6 -","- C20 H28 Cd2 N12 O14 S6 -","- C20 H28 Cd2 N12 O14 S6 -","1","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Li, Guang-Hua; Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","New thiocyanatocadmates templated by multi-dentate N-heterocyclic/diamine molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6429","6439","10.1039/c3dt32900c","","","0.71073","MoKα","","0.0275","0.0268","","","0.0736","0.0743","","","","","","1.139","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022730","5.7788","0.0003","10.8811","0.0008","17.8852","0.0008","88.857","0.004","86.001","0.003","89.661","0.004","1121.64","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H20 Cd3 N14 S12 -","- C30 H20 Cd3 N14 S12 -","- C30 H20 Cd3 N14 S12 -","1","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Li, Guang-Hua; Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","New thiocyanatocadmates templated by multi-dentate N-heterocyclic/diamine molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6429","6439","10.1039/c3dt32900c","","","0.71073","MoKα","","0.0261","0.0231","","","0.0601","0.0617","","","","","","1.073","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022731","20.4","0.002","12.0901","0.0013","4.2614","0.0005","90","","90","","90","","1051","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H15 Cd N6 S4 -","- C17 H16 Cd N6 S4 -","- C34 H32 Cd2 N12 S8 -","2","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Li, Guang-Hua; Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","New thiocyanatocadmates templated by multi-dentate N-heterocyclic/diamine molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6429","6439","10.1039/c3dt32900c","","","0.71073","MoKα","","0.0285","0.0272","","","0.0657","0.0661","","","","","","1.148","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022732","20.688","0.0016","5.8675","0.0003","19.9244","0.0015","90","","115.73","0.009","90","","2178.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 Cd2 N6 O4 S5 -","- C12 H14 Cd2 N6 O4 S5 -","- C48 H56 Cd8 N24 O16 S20 -","4","0.5","","Jia, Hong-Li; Jia, Ming-Jun; Li, Guang-Hua; Wang, Yan-Ning; Yu, Jie-Hui; Xu, Ji-Qing","New thiocyanatocadmates templated by multi-dentate N-heterocyclic/diamine molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6429","6439","10.1039/c3dt32900c","","","0.71073","MoKα","","0.0304","0.0241","","","0.0571","0.0602","","","","","","1.07","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022733","14.1114","0.0005","7.5592","0.0005","16.5961","0.0005","90","","111.047","0.0005","90","","1652.22","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[ReO(tmen)(rac-Glyc1P2,3H-2PH-kO2,3,P)].2H2O","","","- C9 H26 N2 O9 P Re -","- C9 H26 N2 O9 P Re -","- C36 H104 N8 O36 P4 Re4 -","4","1","","Steinborn, Martin; Suhanji, Mihael; Klüfers, Peter","Mixed sugar-core-phosphate chelation of D-fructose 1,6-bisphosphate with the Re(V)O(tmen) metal fragment.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5749","5754","10.1039/c3dt32901a","","","0.71073","MoKα","","0.0333","0.0267","","","0.0529","0.0549","","","","","","1.089","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022734","10.2979","0.0005","9.0749","0.0005","19.4763","0.0007","90","0.004","91.399","0.003","90","0.004","1819.56","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[ReO(phen)(rac-Glyc2,3H-21PH-kO2,3,P)].MeOH","","","- C16 H18 N2 O8 P Re -","- C16 H18 N2 O8 P Re -","- C64 H72 N8 O32 P4 Re4 -","4","1","","Steinborn, Martin; Suhanji, Mihael; Klüfers, Peter","Mixed sugar-core-phosphate chelation of D-fructose 1,6-bisphosphate with the Re(V)O(tmen) metal fragment.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5749","5754","10.1039/c3dt32901a","","","0.71073","MoKα","","0.0678","0.0474","","","0.089","0.1017","","","","","","0.938","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022735","7.8998","0.0004","11.5756","0.0007","16.69","0.0009","103.382","0.004","94.177","0.004","103.844","0.004","1428.3","0.14","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H29 Cu N2 Na2 O14.5 S2 -","- C20 H18 Cu N2 Na2 O14.5 S2 -","- C40 H36 Cu2 N4 Na4 O29 S4 -","2","1","","Cai, Yuan-Bo; Liang, Lei; Zhang, Jing; Sun, Hao-Ling; Zhang, Jun-Long","μ-Hydroxyl trinuclear copper(II) clusters: reactivity and unusual formation in the three-component synthesis of 1,2,3-triazoles in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5390","5400","10.1039/c3dt32906b","","","0.71073","MoKα","","0.096","0.0762","","","0.2168","0.2273","","","","","","1.121","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022736","10.5773","0.0006","16.979","0.002","24.2616","0.0006","90","","90.706","0.001","90","","4356.9","0.6","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H49 Cl2 N O P2 Ru -","- C49.934 H48.934 Cl2 N O P2 Ru -","- C199.736 H195.736 Cl8 N4 O4 P8 Ru4 -","4","1","","Ma, Erin S. F.; Patrick, Brian O.; James, Brian R.","Reversible binding of water, methanol, and ethanol to a five-coordinate ruthenium(II) complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4291","4298","10.1039/c3dt32909g","","","0.7107","MoKα","","0.1357","0.0759","","","0.167","0.2023","","","","","","1.103","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022737","11.902","0.0008","12.7647","0.0013","15.59","0.002","106.371","0.005","94.4","0.003","113.79","0.001","2029.9","0.4","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H46 Cl2 N O P2 Ru -","- C47 H46 Cl2 N O P2 Ru -","- C94 H92 Cl4 N2 O2 P4 Ru2 -","2","1","","Ma, Erin S. F.; Patrick, Brian O.; James, Brian R.","Reversible binding of water, methanol, and ethanol to a five-coordinate ruthenium(II) complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","12","4291","4298","10.1039/c3dt32909g","","","0.7107","MoKα","","0.0622","0.0371","","","0.0898","0.098","","","","","","1.006","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022738","17.895","0.005","18.391","0.005","16.676","0.004","90","","90","","90","","5488","3","291","2","291","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H45 N6 O40 P W12 -","- C24 H45 N6 O40 P W12 -","- C96 H180 N24 O160 P4 W48 -","4","0.5","","Chen, Dianyu; Sahasrabudhe, Atharva; Wang, Peng; Dasgupta, Arijit; Yuan, Rongxin; Roy, Soumyajit","Synthesis and properties of a novel quarternerized imidazolium [α-PW12O40]3- salt as a recoverable photo-polymerization catalyst.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10587","10596","10.1039/c3dt32916j","","","0.71073","MoKα","","0.0603","0.0406","","","0.0767","0.0805","","","","","","1.002","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022739","11.335","0.006","13.003","0.007","14.395","0.007","102.91","0.04","110.22","0.04","97.29","0.04","1891.6","1.9","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C68 H88 Cl6 Mg6 N6 O8 -","- C68 H88 Cl6 Mg6 N6 O8 -","- C68 H88 Cl6 Mg6 N6 O8 -","1","0.5","","Vidal, Fernando; Dávila, Ma Angeles; San Torcuato, Ainhoa; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized imido-bridged Ti(IV) complexes as new building blocks for supramolecular arrangements: generation of a 1D structure through a Mg-Cl···I-C halogen bonding interaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7074","7084","10.1039/c3dt32943g","","x-ray","0.71073","MoKα","","0.122","0.067","","","0.1584","0.1767","","","","","","1.037","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022740","8.472","0.007","10.036","0.008","10.142","0.004","98.36","0.05","91.79","0.04","110.62","0.05","795.3","1","200","2","200","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C34 H38 Cl2 N4 Ti2 -","- C34 H38 Cl2 N4 Ti2 -","- C34 H38 Cl2 N4 Ti2 -","1","0.5","","Vidal, Fernando; Dávila, Ma Angeles; San Torcuato, Ainhoa; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized imido-bridged Ti(IV) complexes as new building blocks for supramolecular arrangements: generation of a 1D structure through a Mg-Cl···I-C halogen bonding interaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7074","7084","10.1039/c3dt32943g","","x-ray","0.71073","MoKα","","0.0952","0.063","","","0.1429","0.1649","","","","","","1.071","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022741","8.938","0.001","9.957","0.002","11.851","0.009","109.91","0.05","95.03","0.08","111.48","0.03","895.2","0.9","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C36 H46 Cl4 N2 O Ti2 -","- C36 H46 Cl4 N2 O Ti2 -","- C36 H46 Cl4 N2 O Ti2 -","1","0.5","","Vidal, Fernando; Dávila, Ma Angeles; San Torcuato, Ainhoa; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized imido-bridged Ti(IV) complexes as new building blocks for supramolecular arrangements: generation of a 1D structure through a Mg-Cl···I-C halogen bonding interaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7074","7084","10.1039/c3dt32943g","","x-ray","0.71073","MoKα","","0.0733","0.0539","","","0.135","0.1506","","","","","","1.073","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022742","34.76","0.05","8.842","0.006","27.63","0.03","90","","128.15","0.07","90","","6678","14","200","2","200","2","","","","","","","synthesis as described","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H86 Cl4 I2 Mg N2 O6 Ti2 -","- C56 H86 Cl4 I2 Mg N2 O6 Ti2 -","- C224 H344 Cl16 I8 Mg4 N8 O24 Ti8 -","4","0.5","","Vidal, Fernando; Dávila, Ma Angeles; San Torcuato, Ainhoa; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized imido-bridged Ti(IV) complexes as new building blocks for supramolecular arrangements: generation of a 1D structure through a Mg-Cl···I-C halogen bonding interaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7074","7084","10.1039/c3dt32943g","","x-ray","0.71073","MoKα","","0.0899","0.0688","","","0.1562","0.1655","","","","","","1.103","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022743","8.646","0.003","9.982","0.003","10.59","0.003","92.84","0.03","106.69","0.03","108.02","0.02","822.9","0.5","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C17 H22 Cl N O Ti -","- C17 H22 Cl N O Ti -","- C34 H44 Cl2 N2 O2 Ti2 -","2","1","","Vidal, Fernando; Dávila, Ma Angeles; San Torcuato, Ainhoa; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized imido-bridged Ti(IV) complexes as new building blocks for supramolecular arrangements: generation of a 1D structure through a Mg-Cl···I-C halogen bonding interaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7074","7084","10.1039/c3dt32943g","","x-ray","0.71073","MoKα","","0.0671","0.0524","","","0.1355","0.15","","","","","","1.112","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022744","10.332","0.002","10.482","0.0017","12.136","0.003","114.228","0.014","105.391","0.016","98.18","0.013","1107.4","0.5","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C44 H64 Cl2 N2 O6 Ti2 -","- C44 H64 Cl2 N2 O6 Ti2 -","- C44 H64 Cl2 N2 O6 Ti2 -","1","0.5","","Vidal, Fernando; Dávila, Ma Angeles; San Torcuato, Ainhoa; Gómez-Sal, Pilar; Mosquera, Marta E. G.","Functionalized imido-bridged Ti(IV) complexes as new building blocks for supramolecular arrangements: generation of a 1D structure through a Mg-Cl···I-C halogen bonding interaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7074","7084","10.1039/c3dt32943g","","x-ray","0.71073","MoKα","","0.0814","0.0549","","","0.1349","0.1521","","","","","","1.113","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022745","14.6006","0.0003","8.0694","0.0002","14.7344","0.0003","90","","98.067","0.002","90","","1718.8","0.07","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Cu F3 N3 O7 S -","- C13 H12 Cu F3 N3 O7 S -","- C52 H48 Cu4 F12 N12 O28 S4 -","4","1","","Simões, Tatiana R G; Mambrini, Raquel V.; Reis, Daniella O.; Marinho, Maria V.; Ribeiro, Marcos A.; Pinheiro, Carlos B.; Ferrando-Soria, Jesús; Déniz, Mariadel; Ruiz-Pérez, Catalina; Cangussu, Danielle; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel","Copper(II) assembling with bis(2-pyridylcarbonyl)amidate and N,N'-2,2-phenylenebis(oxamate).","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5778","5795","10.1039/c3dt32949f","","x-ray","1.54184","CuKα","","0.0422","0.0371","","","0.1","0.1062","","","","","","1.033","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022746","28.5694","0.0007","10.2366","0.0001","20.1856","0.0005","90","","134.242","0.004","90","","4229.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 Cu2 N6 O13 -","- C42 H44 Cu2 N6 O13 -","- C168 H176 Cu8 N24 O52 -","4","0.5","","Simões, Tatiana R G; Mambrini, Raquel V.; Reis, Daniella O.; Marinho, Maria V.; Ribeiro, Marcos A.; Pinheiro, Carlos B.; Ferrando-Soria, Jesús; Déniz, Mariadel; Ruiz-Pérez, Catalina; Cangussu, Danielle; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel","Copper(II) assembling with bis(2-pyridylcarbonyl)amidate and N,N'-2,2-phenylenebis(oxamate).","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5778","5795","10.1039/c3dt32949f","","x-ray","1.54184","CuKα","","0.0369","0.0358","","","0.0994","0.1007","","","","","","1.044","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022747","11.6502","0.0003","13.4289","0.0004","13.6461","0.0005","61.971","0.003","65.206","0.003","80.022","0.003","1710.05","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Cu3 N8 O12 -","- C34 H24 Cu3 N8 O12 -","- C68 H48 Cu6 N16 O24 -","2","1","","Simões, Tatiana R G; Mambrini, Raquel V.; Reis, Daniella O.; Marinho, Maria V.; Ribeiro, Marcos A.; Pinheiro, Carlos B.; Ferrando-Soria, Jesús; Déniz, Mariadel; Ruiz-Pérez, Catalina; Cangussu, Danielle; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel","Copper(II) assembling with bis(2-pyridylcarbonyl)amidate and N,N'-2,2-phenylenebis(oxamate).","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5778","5795","10.1039/c3dt32949f","","","0.7107","MoKα","","0.0373","0.0271","","","0.0747","0.0767","","","","","","1.055","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022748","9.4297","0.0004","11.2189","0.0009","17.0787","0.0013","75.037","0.007","80.294","0.005","89.324","0.005","1719.6","0.2","260","2","260","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 Cu4 N16 O26 -","- C68 H56 Cu4 N16 O26 -","- C68 H56 Cu4 N16 O26 -","1","0.5","","Simões, Tatiana R G; Mambrini, Raquel V.; Reis, Daniella O.; Marinho, Maria V.; Ribeiro, Marcos A.; Pinheiro, Carlos B.; Ferrando-Soria, Jesús; Déniz, Mariadel; Ruiz-Pérez, Catalina; Cangussu, Danielle; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel","Copper(II) assembling with bis(2-pyridylcarbonyl)amidate and N,N'-2,2-phenylenebis(oxamate).","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5778","5795","10.1039/c3dt32949f","","","0.7107","MoKα","","0.0573","0.0392","","","0.0842","0.0914","","","","","","1.025","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022749","13.2927","0.0003","9.6689","0.0001","18.7558","0.0004","90","","107.619","0.002","90","","2297.52","0.08","120","2","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cu N5 O8 -","- C24 H19 Cu N5 O8 -","- C96 H76 Cu4 N20 O32 -","4","1","","Simões, Tatiana R G; Mambrini, Raquel V.; Reis, Daniella O.; Marinho, Maria V.; Ribeiro, Marcos A.; Pinheiro, Carlos B.; Ferrando-Soria, Jesús; Déniz, Mariadel; Ruiz-Pérez, Catalina; Cangussu, Danielle; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel","Copper(II) assembling with bis(2-pyridylcarbonyl)amidate and N,N'-2,2-phenylenebis(oxamate).","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5778","5795","10.1039/c3dt32949f","","","0.7107","MoKα","","0.0313","0.0266","","","0.068","0.0708","","","","","","1.039","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022750","9.1959","0.0005","20.5009","0.0013","9.7022","0.0007","90","","90","","90","","1829.1","0.2","120","2","119.95","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H42 Co N2 O9 -","- C44 H42 Co N2 O9 -","- C88 H84 Co2 N4 O18 -","2","0.5","","Ribeiro, Marcos A.; Lanznaster, Maurício; Silva, Marcos M. P.; Resende, Jackson A. L. C.; Pinheiro, Maurício V B; Krambrock, Klaus; Stumpf, Humberto O.; Pinheiro, Carlos B.","Cobalt lawsone complexes: searching for new valence tautomers.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5462","5470","10.1039/c3dt32968b","","","0.7107","MoKα","","0.1197","0.0808","","","0.1892","0.2144","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7022751","8.2264","0.0004","11.011","0.0007","15.2164","0.0008","72.632","0.005","78.902","0.004","82.156","0.005","1286.27","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H36 Co2 N8 O12 -","- C59 H36 Co2 N8 O12 -","- C59 H36 Co2 N8 O12 -","1","0.5","","Ribeiro, Marcos A.; Lanznaster, Maurício; Silva, Marcos M. P.; Resende, Jackson A. L. C.; Pinheiro, Maurício V B; Krambrock, Klaus; Stumpf, Humberto O.; Pinheiro, Carlos B.","Cobalt lawsone complexes: searching for new valence tautomers.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5462","5470","10.1039/c3dt32968b","","","0.7107","MoKα","","0.0517","0.038","","","0.0976","0.1018","","","","","","0.986","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022752","7.542","0.0004","12.2546","0.0008","15.9401","0.0011","96.822","0.005","90.829","0.005","90.052","0.005","1462.66","0.16","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C37 H26 Co N2 O6 -","- C37 H26 Co N2 O6 -","- C74 H52 Co2 N4 O12 -","2","1","","Ribeiro, Marcos A.; Lanznaster, Maurício; Silva, Marcos M. P.; Resende, Jackson A. L. C.; Pinheiro, Maurício V B; Krambrock, Klaus; Stumpf, Humberto O.; Pinheiro, Carlos B.","Cobalt lawsone complexes: searching for new valence tautomers.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5462","5470","10.1039/c3dt32968b","","","1.5418","CuKα","","0.0868","0.0601","","","0.1374","0.1554","","","","","","1.052","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022753","19.559","0.005","14.772","0.005","8.378","0.005","90","0.005","90","0.005","90","0.005","2420.6","1.8","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30 H18 Co N2 O6 -","- C30 H18 Co N2 O6 -","- C120 H72 Co4 N8 O24 -","4","","","Ribeiro, Marcos A.; Lanznaster, Maurício; Silva, Marcos M. P.; Resende, Jackson A. L. C.; Pinheiro, Maurício V B; Krambrock, Klaus; Stumpf, Humberto O.; Pinheiro, Carlos B.","Cobalt lawsone complexes: searching for new valence tautomers.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5462","5470","10.1039/c3dt32968b","","","1.5418","CuKα","","0.0373","0.0296","","","0.0685","0.0734","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022754","14.433","0.003","10.594","0.002","17.946","0.004","90","","101.47","0.03","90","","2689.2","1","298","2","298","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","Compound colaupy","","","- C31 H24 Co N2 O7 -","- C31 H24 Co N2 O7 -","- C124 H96 Co4 N8 O28 -","4","0.5","","Ribeiro, Marcos A.; Lanznaster, Maurício; Silva, Marcos M. P.; Resende, Jackson A. L. C.; Pinheiro, Maurício V B; Krambrock, Klaus; Stumpf, Humberto O.; Pinheiro, Carlos B.","Cobalt lawsone complexes: searching for new valence tautomers.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5462","5470","10.1039/c3dt32968b","","x-ray","0.71073","MoKα","","0.0781","0.0447","","","0.1089","0.1216","","","","","","1.004","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022755","13.4126","0.0002","16.0697","0.0002","18.8013","0.0002","90","","91.95","0.0005","90","","4050.02","0.09","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 F9 N6 O17 Re Ru S3 -","- C18 H33 F9 N6 O17 Re Ru S3 -","- C72 H132 F36 N24 O68 Re4 Ru4 S12 -","4","1","","Laidlaw, William Michael; Thompson, Amber L.; Denning, Robert Gordon","Solvent and metal dependent (1)H NMR hyperfine shifts in paramagnetic pentaamminemetal cyanide-bridged mixed-valence complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4695","4703","10.1039/c3dt32978j","","","0.71073","MoKα","","0.0398","0.0291","","0.0646","0.0612","0.0646","","","","","","0.9899","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022756","8.1564","0.0002","14.5998","0.0003","26.839","0.0005","90","","92.2195","0.0008","90","","3193.64","0.12","150","","150","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C9 H21 F9 N6 O17 Re Ru S3 -","- C9 H21 F9 N6 O17 Re Ru S3 -","- C36 H84 F36 N24 O68 Re4 Ru4 S12 -","4","1","","Laidlaw, William Michael; Thompson, Amber L.; Denning, Robert Gordon","Solvent and metal dependent (1)H NMR hyperfine shifts in paramagnetic pentaamminemetal cyanide-bridged mixed-valence complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4695","4703","10.1039/c3dt32978j","","","0.71073","MoKα","","0.0749","0.0401","","0.0668","0.0395","0.0395","","","","","","1.1145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022757","14.5","0.0002","13.8866","0.0002","17.5606","0.0002","90","","100.353","0.0006","90","","3478.36","0.08","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1","","","- C35 H53 B2 N3 -","- C35 H53 B2 N3 -","- C140 H212 B8 N12 -","4","1","","Sabourin, Kyle J.; Malcolm, Adam C.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Metal-free dehydrogenation of amine-boranes by an N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4625","4632","10.1039/c3dt32988g","","","1.54178","CuKα","","0.0534","0.0488","","","0.1445","0.1515","","","","","","1.062","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022758","16.8935","0.0005","13.6955","0.0004","17.7459","0.0005","90","","107.438","0.0018","90","","3917.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","3","","","- C37 H63 B2 N3 O1.5 -","- C31 H51 B2 N3 -","- C124 H204 B8 N12 -","4","1","","Sabourin, Kyle J.; Malcolm, Adam C.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Metal-free dehydrogenation of amine-boranes by an N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4625","4632","10.1039/c3dt32988g","","","1.54178","CuKα","","0.0503","0.0454","","","0.1296","0.1344","","","","","","1.075","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022759","15.4951","0.0012","15.4951","0.0012","27.816","0.002","90","","90","","120","","5783.8","0.8","173","2","173","2","","","","","","","","4","R -3 :H","-R 3","148","6","","","- C12 H22 B N -","- C12 H22 B N -","- C216 H396 B18 N18 -","18","1","","Sabourin, Kyle J.; Malcolm, Adam C.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Metal-free dehydrogenation of amine-boranes by an N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4625","4632","10.1039/c3dt32988g","","","0.71073","MoKα","","0.0506","0.0406","","","0.1038","0.1114","","","","","","1.052","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022760","17.2578","0.0002","17.2578","0.0002","20.4652","0.0003","90","","90","","90","","6095.18","0.13","173","2","173","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","7","","","- C35 H36 B Cl2 N -","- C35 H36 B Cl2 N -","- C280 H288 B8 Cl16 N8 -","8","0.5","","Sabourin, Kyle J.; Malcolm, Adam C.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric","Metal-free dehydrogenation of amine-boranes by an N-heterocyclic carbene.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4625","4632","10.1039/c3dt32988g","","","1.54178","CuKα","","0.0471","0.0457","","","0.1334","0.1351","","","","","","1.044","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022761","8.1634","0.001","10.2365","0.0013","11.6844","0.0015","108.091","0.002","108.147","0.002","92.647","0.002","870.86","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Cl Cu N4 O -","- C18 H17 Cl Cu N4 O -","- C36 H34 Cl2 Cu2 N8 O2 -","2","1","","Rajarajeswari, Chandrasekaran; Loganathan, Rangasamy; Palaniandavar, Mallayan; Suresh, Eringathodi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar","Copper(II) complexes with 2NO and 3N donor ligands: synthesis, structures and chemical nuclease and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8347","8363","10.1039/c3dt32992e","","","0.71073","MoKα","","0.0686","0.056","","","0.112","0.1169","","","","","","1.111","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022762","7.087","0.003","15.617","0.007","15.156","0.007","90","","101.024","0.008","90","","1646.5","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 Cl Cu N3 O2 -","- C17 H17 Cl Cu N3 O2 -","- C68 H68 Cl4 Cu4 N12 O8 -","4","1","","Rajarajeswari, Chandrasekaran; Loganathan, Rangasamy; Palaniandavar, Mallayan; Suresh, Eringathodi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar","Copper(II) complexes with 2NO and 3N donor ligands: synthesis, structures and chemical nuclease and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8347","8363","10.1039/c3dt32992e","","","0.71073","MoKα","","0.0912","0.0747","","","0.1767","0.1861","","","","","","1.083","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022763","8.657","0.002","12.581","0.003","14.03","0.004","90","","90","","90","","1528.1","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 Cl2 Cu N4 -","- C15 H14 Cl2 Cu N4 -","- C60 H56 Cl8 Cu4 N16 -","4","1","","Rajarajeswari, Chandrasekaran; Loganathan, Rangasamy; Palaniandavar, Mallayan; Suresh, Eringathodi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar","Copper(II) complexes with 2NO and 3N donor ligands: synthesis, structures and chemical nuclease and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8347","8363","10.1039/c3dt32992e","","","0.71073","MoKα","","0.07","0.0627","","","0.1415","0.1459","","","","","","0.962","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022764","10.3104","0.0005","17.1202","0.0009","11.9361","0.0006","90","","90.781","0.003","90","","2106.72","0.18","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cu Complex","","","- C20 H22 Cl2 Cu N4 O2 -","- C20 H22 Cl2 Cu N4 O2 -","- C80 H88 Cl8 Cu4 N16 O8 -","4","1","","Rajarajeswari, Chandrasekaran; Loganathan, Rangasamy; Palaniandavar, Mallayan; Suresh, Eringathodi; Riyasdeen, Anvarbatcha; Akbarsha, Mohamad Abdulkadhar","Copper(II) complexes with 2NO and 3N donor ligands: synthesis, structures and chemical nuclease and anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8347","8363","10.1039/c3dt32992e","","","0.71073","MoKα","","0.074","0.0391","","","0.0877","0.1018","","","","","","1.017","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022765","15.307","0.004","8.303","0.002","13.152","0.004","90","","92.815","0.004","90","","1669.5","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(nitrato-O,O')-1,4,7,10,13-pentaoxacyclopentadecane-lead(II)","","- C10 H20 N2 O11 Pb -","- C10 H20 N2 O11 Pb -","- C40 H80 N8 O44 Pb4 -","4","1","","Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian","Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4714","4724","10.1039/c3dt32999b","","","0.71073","MoKα","","0.0342","0.0309","","","0.071","0.0727","","","","","","1.019","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022766","12.818","0.004","10.661","0.003","15.298","0.005","90","","94.66","0.02","90","","2083.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(aqua(1,4,7,10,13,16-hexaoxacyclooctadecane)- (μ~2~-tetrafluoroborate-F,F')lead(II)) tetrafluoroborate","","- C12 H26 B2 F8 O7 Pb -","- C12 H26 B2 F8 O7 Pb -","- C48 H104 B8 F32 O28 Pb4 -","4","1","","Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian","Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4714","4724","10.1039/c3dt32999b","","","0.71073","MoKα","","0.0819","0.0494","","","0.077","0.0854","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7022767","16.5374","0.0015","15.5893","0.0015","17.703","0.006","90","","90","","90","","4563.9","1.7","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","bis(aqua)-1,4,10,13-tetraoxo-7,16-dithia-cyclooctadecane- (tetrafluoroborate-F,F')-lead(II) tetrafluoroborate","","- C12 H28 B2 F8 O6 Pb S2 -","- C12 H28 B2 F8 O6 Pb S2 -","- C96 H224 B16 F64 O48 Pb8 S16 -","8","1","","Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian","Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4714","4724","10.1039/c3dt32999b","","","0.71073","MoKα","","0.03","0.0213","","","0.0467","0.0497","","","","","","1.029","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022768","18.747","0.003","28.254","0.01","13.263","0.002","90","","90","","90","","7025","3","100","2","100","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","bis(1,4,7-trioxa-10,13-dithiacyclopentadecane)lead(II) tetrafluoroborate dichloromethane solvate","","- C21.22 H42.44 B2 Cl2.44 F8 O6 Pb S4 -","- C21 H40 B2 Cl2.44 F8 O6 Pb S4 -","- C168 H320 B16 Cl19.52 F64 O48 Pb8 S32 -","8","1","","Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian","Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4714","4724","10.1039/c3dt32999b","","","0.71073","MoKα","","0.0714","0.0462","","","0.0957","0.1068","","","","","","1.027","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022769","10.953","0.005","12.06","0.005","15.53","0.007","90","","90.693","0.006","90","","2051.3","1.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane)lead(II) tetrafluoroborate","","- C12 H24 B2 F8 O4 Pb Se2 -","- C12 H24 B2 F8 O4 Pb Se2 -","- C48 H96 B8 F32 O16 Pb4 Se8 -","4","0.5","","Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian","Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4714","4724","10.1039/c3dt32999b","","","0.71073","MoKα","","0.0564","0.0391","","","0.0699","0.0753","","","","","","1.052","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022770","10.969","0.004","11.735","0.005","15.385","0.006","90","","90.382","0.006","90","","1980.3","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane)lead(II) nitrate","","- C12 H24 N2 O10 Pb Se2 -","- C12 H24 N2 O10 Pb Se2 -","- C48 H96 N8 O40 Pb4 Se8 -","4","0.5","","Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian","Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4714","4724","10.1039/c3dt32999b","","","0.71073","MoKα","","0.0853","0.0599","","","0.1188","0.1337","","","","","","1.042","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022771","12.958","0.005","8.475","0.003","9.296","0.003","90","","90","","90","","1020.9","0.6","100","2","100","2","","","","","","","","7","P m n 21","P 2ac -2","31","","1,4,7,10,13,16-hexaoxacyclooctadecane-nitrato-lead(II) hexafluorophosphate","","- C12 H24 F6 N O9 P Pb -","- C12 H24 F6 N O9 P Pb -","- C24 H48 F12 N2 O18 P2 Pb2 -","2","0.5","","Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian","Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4714","4724","10.1039/c3dt32999b","","","0.71073","MoKα","","0.0581","0.0488","","","0.0938","0.0971","","","","","","1.07","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022772","8.754","0.003","15.23","0.004","9.254","0.003","90","","91.453","0.006","90","","1233.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","bisaqua-1,4,7,10,13,16-hexaoxacyclooctadecane-lead(II) bis(hexafluorophosphate) hydrate","","- C12 H28.4 F12 O8.2 P2 Pb -","- C12 H24 F12 O8.2 P2 Pb -","- C24 H48 F24 O16.4 P4 Pb2 -","2","0.5","","Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian","Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4714","4724","10.1039/c3dt32999b","","","0.71073","MoKα","","0.0756","0.0627","","","0.1411","0.15","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022773","11.012","0.004","12.949","0.005","16.105","0.006","90","","95.402","0.007","90","","2286.3","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane-lead(II) bis-hexafluorophosphate","","- C12 H24 F12 O4 P2 Pb Se2 -","- C12 H24 F12 O4 P2 Pb Se2 -","- C48 H96 F48 O16 P8 Pb4 Se8 -","4","0.5","","Farina, Paolo; Latter, Thomas; Levason, William; Reid, Gillian","Lead(II) tetrafluoroborate and hexafluorophosphate complexes with crown ethers, mixed O/S- and O/Se-donor macrocycles and unusual [BF(4)](-) and [PF(6)](-) coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","13","4714","4724","10.1039/c3dt32999b","","","0.71073","MoKα","","0.0333","0.0306","","","0.0756","0.0773","","","","","","1.063","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022774","15.9295","0.0005","15.9295","0.0005","19.72","0.0007","90","","90","","120","","4333.5","0.2","200","2","200","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C9 H8.92 Co N3 O4.38 -","- C9 H8.92 Co N3 O4.38333 -","- C54 H53.52 Co6 N18 O26.3 -","6","0.5","","Aharen, Tomoko; Habib, Fatemah; Korobkov, Ilia; Burchell, Tara J.; Guillet-Nicolas, Rémy; Kleiz, Fredy; Murugesu, Muralee","Novel Co-based metal-organic frameworks and their magnetic properties using asymmetrically binding 4-(4'-carboxyphenyl)-1,2,4-triazole.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7795","7802","10.1039/c3dt33000a","","","0.71073","MoKα","","0.0784","0.0564","","","0.1492","0.1749","","","","","","1.054","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022775","14.5002","0.0003","7.1357","0.0002","11.309","0.0003","90","","116.939","0.001","90","","1043.16","0.05","200","2","200","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C9 H6 Co N6 O2 -","- C9 H6 Co N6 O2 -","- C36 H24 Co4 N24 O8 -","4","0.5","","Aharen, Tomoko; Habib, Fatemah; Korobkov, Ilia; Burchell, Tara J.; Guillet-Nicolas, Rémy; Kleiz, Fredy; Murugesu, Muralee","Novel Co-based metal-organic frameworks and their magnetic properties using asymmetrically binding 4-(4'-carboxyphenyl)-1,2,4-triazole.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7795","7802","10.1039/c3dt33000a","","","0.71073","MoKα","","0.0174","0.0168","","","0.0525","0.0532","","","","","","1.041","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022776","8.5005","0.0009","12.8099","0.0013","13.4136","0.0014","107.696","0.001","104.521","0.001","92.624","0.001","1335.2","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H16 Cl Dy N2 O11 Zn -","- C26 H16 Cl Dy N2 O11 Zn -","- C52 H32 Cl2 Dy2 N4 O22 Zn2 -","2","1","","Feng, Xun; Feng, Yu-Quan; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Ng, Seik-Weng","A series of Zn-4f heterometallic coordination polymers and a zinc complex containing a flexible mixed donor dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7741","7754","10.1039/c3dt33002h","","","0.71073","MoKα","","0.045","0.0394","","","0.1184","0.1247","","","","","","1.085","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022777","9.6121","0.0008","12.8091","0.0011","12.4524","0.001","106.345","0.001","108.072","0.001","83.862","0.001","1398.3","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H16 Cl Er N O11 Zn -","- C26 H16 Cl Er N2 O11 Zn -","- C52 H32 Cl2 Er2 N4 O22 Zn2 -","2","1","","Feng, Xun; Feng, Yu-Quan; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Ng, Seik-Weng","A series of Zn-4f heterometallic coordination polymers and a zinc complex containing a flexible mixed donor dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7741","7754","10.1039/c3dt33002h","","","0.71073","MoKα","","0.0191","0.0179","","","0.0467","0.0472","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022778","8.3739","0.0014","12.876","0.002","13.413","0.002","107.155","0.002","104.306","0.002","92.829","0.002","1327.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H16 Cl Eu N2 O11 Zn -","- C26 H16 Cl Eu N2 O11 Zn -","- C52 H32 Cl2 Eu2 N4 O22 Zn2 -","2","1","","Feng, Xun; Feng, Yu-Quan; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Ng, Seik-Weng","A series of Zn-4f heterometallic coordination polymers and a zinc complex containing a flexible mixed donor dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7741","7754","10.1039/c3dt33002h","","","0.71073","MoKα","","0.0266","0.0239","","","0.0598","0.0616","","","","","","1.021","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022779","8.3462","0.0007","12.9","0.0012","13.4127","0.0012","107.008","0.001","104.32","0.001","92.909","0.001","1326.2","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H16 Cl Gd N2 O11 Zn -","- C26 H16 Cl Gd N2 O11 Zn -","- C52 H32 Cl2 Gd2 N4 O22 Zn2 -","2","1","","Feng, Xun; Feng, Yu-Quan; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Ng, Seik-Weng","A series of Zn-4f heterometallic coordination polymers and a zinc complex containing a flexible mixed donor dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7741","7754","10.1039/c3dt33002h","","","0.71073","MoKα","","0.0198","0.0179","","","0.0434","0.0447","","","","","","1.001","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022780","9.6054","0.0015","12.444","0.002","12.793","0.002","73.592","0.002","83.88","0.002","71.873","0.002","1393.8","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H16 Cl Ho N2 O11 Zn -","- C26 H16 Cl Ho N2 O11 Zn -","- C52 H32 Cl2 Ho2 N4 O22 Zn2 -","2","1","","Feng, Xun; Feng, Yu-Quan; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Ng, Seik-Weng","A series of Zn-4f heterometallic coordination polymers and a zinc complex containing a flexible mixed donor dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7741","7754","10.1039/c3dt33002h","","","0.71073","MoKα","","0.0372","0.0291","","","0.0612","0.0649","","","","","","1.02","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022781","8.466","0.0009","12.842","0.0014","13.434","0.0014","107.542","0.001","104.438","0.001","92.731","0.001","1336.7","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H16 Cl N2 Nd O11 Zn -","- C26 H16 Cl N2 Nd O11 Zn -","- C52 H32 Cl2 N4 Nd2 O22 Zn2 -","2","1","","Feng, Xun; Feng, Yu-Quan; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Ng, Seik-Weng","A series of Zn-4f heterometallic coordination polymers and a zinc complex containing a flexible mixed donor dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7741","7754","10.1039/c3dt33002h","","","0.71073","MoKα","","0.0205","0.0183","","","0.0468","0.0483","","","","","","1.002","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022782","8.5153","0.0008","12.8224","0.0012","13.4358","0.0013","107.669","0.001","104.552","0.001","92.652","0.001","1341","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H16 Cl N2 O11 Pr Zn -","- C26 H16 Cl N2 O11 Pr Zn -","- C52 H32 Cl2 N4 O22 Pr2 Zn2 -","2","1","","Feng, Xun; Feng, Yu-Quan; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Ng, Seik-Weng","A series of Zn-4f heterometallic coordination polymers and a zinc complex containing a flexible mixed donor dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7741","7754","10.1039/c3dt33002h","","","0.71073","MoKα","","0.0207","0.0187","","","0.0436","0.0446","","","","","","1.034","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022783","10.9569","0.0014","18.022","0.002","11.7421","0.0015","90","","100.189","0.002","90","","2282.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N2 O10 Zn -","- C26 H16 N2 O10 Zn -","- C104 H64 N8 O40 Zn4 -","4","1","","Feng, Xun; Feng, Yu-Quan; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Ng, Seik-Weng","A series of Zn-4f heterometallic coordination polymers and a zinc complex containing a flexible mixed donor dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7741","7754","10.1039/c3dt33002h","","","0.71073","MoKα","","0.078","0.0417","","","0.0878","0.1015","","","","","","1.047","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022784","15.313","0.002","15.313","0.002","43.69","0.01","90","","90","","120","","8872","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C96 H144 Ag6 N6 O18 S6 -","- C96 H144 Ag6 N6 O18 S6 -","- C288 H432 Ag18 N18 O54 S18 -","3","0.166667","","Barreiro, Elena; Casas, José S; Couce, María D; Laguna, Antonio; López-de-Luzuriaga, José M; Monge, Miguel; Sánchez, Agustin; Sordo, José; Vázquez López, Ezequiel M","A novel hexanuclear silver(I) cluster containing a regular Ag6 ring with short Ag-Ag distances and an argentophilic interaction.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5916","5923","10.1039/c3dt33003f","","","0.71073","MoKα","","0.1754","0.0519","","","0.0988","0.1202","","","","","","0.743","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022785","15.2304","0.0016","18.3123","0.0018","16.96","0.002","90","","90","","90","","4730.2","0.9","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","ac334","","- C30 H78 Ce2 N2 O6 Si4 -","- C30 H78 Ce2 N2 O6 Si4 -","- C120 H312 Ce8 N8 O24 Si16 -","4","0.5","","Crozier, Alan R.; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner","Synthesis and grafting of CAN-derived tetravalent cerium alkoxide silylamide precursors onto mesoporous silica MCM-41.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5491","5499","10.1039/c3dt33005b","","","0.71073","MoKα","","0.0958","0.0673","","","0.1347","0.1475","","","","","","1.151","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022786","12.5799","0.0003","16.2153","0.0003","19.6833","0.0005","90","","90","","90","","4015.13","0.16","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H66 Ce Li N2 O4 Si4 -","- C26 H66 Ce Li N2 O4 Si4 -","- C104 H264 Ce4 Li4 N8 O16 Si16 -","4","1","","Crozier, Alan R.; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner","Synthesis and grafting of CAN-derived tetravalent cerium alkoxide silylamide precursors onto mesoporous silica MCM-41.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5491","5499","10.1039/c3dt33005b","","","0.71073","MoKα","","0.0478","0.0443","","","0.0762","0.0771","","","","","","1.203","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022787","18.9892","0.0005","16.7465","0.0005","15.0041","0.0005","90","","101.09","0.001","90","","4682.2","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H78 Ce2 Li2 O12 -","- C34 H78 Ce2 Li2 O12 -","- C136 H312 Ce8 Li8 O48 -","4","0.5","","Crozier, Alan R.; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Törnroos, Karl W; Anwander, Reiner","Synthesis and grafting of CAN-derived tetravalent cerium alkoxide silylamide precursors onto mesoporous silica MCM-41.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5491","5499","10.1039/c3dt33005b","","","0.71073","MoKα","","0.0503","0.0486","","","0.1151","0.116","","","","","","1.34","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7022788","15.226","0.003","9.6015","0.0016","16.916","0.003","90","","97.863","0.003","90","","2449.7","0.8","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C37 H52 Co N10 O14 -","- C37 H46 Co N10 O14 -","- C74 H92 Co2 N20 O28 -","2","0.5","","Liu, Qing-Xiang; Wei, Qing; Zhao, Xiao-Jun; Wang, Hong; Li, Shu-Juan; Wang, Xiu-Guang","Cobalt(II), copper(II), zinc(II) and cadmium(II) complexes based on dibenzimidazolyl bidentate ligands with alkanyl linkers: crystal structure, weak interactions and conformations.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5902","5915","10.1039/c3dt33013c","","","0.71073","MoKα","","0.0878","0.0734","","","0.2412","0.2558","","","","","","1.095","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022789","14.09","0.0019","16.386","0.002","16.393","0.002","90","","90","","90","","3784.8","0.8","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C72 H74 Cu2 N20 O15 -","- C72 H76 Cu2 N20 O15 -","- C144 H152 Cu4 N40 O30 -","2","0.5","","Liu, Qing-Xiang; Wei, Qing; Zhao, Xiao-Jun; Wang, Hong; Li, Shu-Juan; Wang, Xiu-Guang","Cobalt(II), copper(II), zinc(II) and cadmium(II) complexes based on dibenzimidazolyl bidentate ligands with alkanyl linkers: crystal structure, weak interactions and conformations.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5902","5915","10.1039/c3dt33013c","","","0.71073","MoKα","","0.0587","0.0533","","","0.1451","0.1507","","","","","","1.06","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022790","9.9683","0.0016","11.4202","0.0018","14.055","0.002","74.597","0.003","82.378","0.003","83.56","0.003","1524","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H66 Co2 N10 O12 -","- C62 H66 Co2 N10 O12 -","- C62 H66 Co2 N10 O12 -","1","0.5","","Liu, Qing-Xiang; Wei, Qing; Zhao, Xiao-Jun; Wang, Hong; Li, Shu-Juan; Wang, Xiu-Guang","Cobalt(II), copper(II), zinc(II) and cadmium(II) complexes based on dibenzimidazolyl bidentate ligands with alkanyl linkers: crystal structure, weak interactions and conformations.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5902","5915","10.1039/c3dt33013c","","","0.71073","MoKα","","0.1708","0.1002","","","0.2311","0.264","","","","","","1.074","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022791","23.3928","0.0013","9.3472","0.0005","22.0299","0.0012","90","","94.406","0.001","90","","4802.8","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H56 N8 O10 Zn2 -","- C46 H56 N8 O10 Zn2 -","- C184 H224 N32 O40 Zn8 -","4","0.5","","Liu, Qing-Xiang; Wei, Qing; Zhao, Xiao-Jun; Wang, Hong; Li, Shu-Juan; Wang, Xiu-Guang","Cobalt(II), copper(II), zinc(II) and cadmium(II) complexes based on dibenzimidazolyl bidentate ligands with alkanyl linkers: crystal structure, weak interactions and conformations.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5902","5915","10.1039/c3dt33013c","","","0.71073","MoKα","","0.0522","0.0332","","","0.0804","0.0888","","","","","","1.02","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022792","15.631","0.01","7.591","0.005","14.592","0.009","90","","93.045","0.011","90","","1729","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Co N6 O6 -","- C16 H14 Co N6 O6 -","- C64 H56 Co4 N24 O24 -","4","1","","Liu, Qing-Xiang; Wei, Qing; Zhao, Xiao-Jun; Wang, Hong; Li, Shu-Juan; Wang, Xiu-Guang","Cobalt(II), copper(II), zinc(II) and cadmium(II) complexes based on dibenzimidazolyl bidentate ligands with alkanyl linkers: crystal structure, weak interactions and conformations.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5902","5915","10.1039/c3dt33013c","","","0.71073","MoKα","","0.1122","0.0754","","","0.1981","0.2363","","","","","","1.019","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022793","9.4093","0.0008","16.6535","0.0014","14.8361","0.0012","90","","101.136","0.002","90","","2281","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18.5 N6 O6.25 Zn -","- C18 H18 N6 O6 Zn -","- C72 H72 N24 O24 Zn4 -","4","1","","Liu, Qing-Xiang; Wei, Qing; Zhao, Xiao-Jun; Wang, Hong; Li, Shu-Juan; Wang, Xiu-Guang","Cobalt(II), copper(II), zinc(II) and cadmium(II) complexes based on dibenzimidazolyl bidentate ligands with alkanyl linkers: crystal structure, weak interactions and conformations.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5902","5915","10.1039/c3dt33013c","","","0.71073","MoKα","","0.0604","0.0539","","","0.1766","0.1821","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022794","8.9518","0.0012","10.8374","0.0015","14.0505","0.0019","76.645","0.002","76.305","0.002","79.093","0.002","1275.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H37 N5 O7 Zn -","- C22 H24 N4 O4 Zn -","- C44 H48 N8 O8 Zn2 -","2","1","","Liu, Qing-Xiang; Wei, Qing; Zhao, Xiao-Jun; Wang, Hong; Li, Shu-Juan; Wang, Xiu-Guang","Cobalt(II), copper(II), zinc(II) and cadmium(II) complexes based on dibenzimidazolyl bidentate ligands with alkanyl linkers: crystal structure, weak interactions and conformations.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5902","5915","10.1039/c3dt33013c","","","0.71073","MoKα","","0.0368","0.0323","","","0.0883","0.0905","","","","","","1.076","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022795","17.857","0.004","9.7593","0.0016","14.519","0.002","90","","102.212","0.004","90","","2473","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 Cd N7 O7 -","- C21 H25 Cd N7 O7 -","- C84 H100 Cd4 N28 O28 -","4","0.5","","Liu, Qing-Xiang; Wei, Qing; Zhao, Xiao-Jun; Wang, Hong; Li, Shu-Juan; Wang, Xiu-Guang","Cobalt(II), copper(II), zinc(II) and cadmium(II) complexes based on dibenzimidazolyl bidentate ligands with alkanyl linkers: crystal structure, weak interactions and conformations.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5902","5915","10.1039/c3dt33013c","","","0.71073","MoKα","","0.0265","0.0243","","","0.0621","0.064","","","","","","1.09","","","","has coordinates,has disorder","179932","2020-10-21","18:00:00",""
"7022796","12.458","0.003","33.214","0.007","13.177","0.003","90","","97.57","0.03","90","","5405","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48.5 H48 N14 O16.5 Zn2 -","- C48.5 H48 N14 O16.5 Zn2 -","- C194 H192 N56 O66 Zn8 -","4","1","","Kim, Jin Hoon; Hwang, In Hong; Jang, Seung Pyo; Kang, Juhye; Kim, Sumi; Noh, Insup; Kim, Youngmee; Kim, Cheal; Harrison, Roger G.","Zinc sensors with lower binding affinities for cellular imaging.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5500","5507","10.1039/c3dt33024a","","","0.71073","MoKα","","0.102","0.0709","","","0.2038","0.2248","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022797","6.915","0.003","20.208","0.003","15.138","0.005","90","","107.36","0.04","90","","2019","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 Ag N6 O4 P -","- C17 H24 Ag N6 O4 P -","- C68 H96 Ag4 N24 O16 P4 -","4","1","","Smoleński, Piotr; Jaros, Sabina W.; Pettinari, Claudio; Lupidi, Giulio; Quassinti, Luana; Bramucci, Massimo; Vitali, Luca A.; Petrelli, Dezemona; Kochel, Andrzej; Kirillov, Alexander M.","New water-soluble polypyridine silver(I) derivatives of 1,3,5-triaza-7-phosphaadamantane (PTA) with significant antimicrobial and antiproliferative activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6572","6581","10.1039/c3dt33026e","","","0.71073","MoKα","","0.048","0.0312","","","0.0683","0.0741","","","","","","0.965","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022798","10.5355","0.0003","11.8539","0.0004","15.7927","0.0005","94.235","0.002","100.106","0.001","112.49","0.002","1772.35","0.1","173","2","173","2","","","","","","","synthesis as described","8","P 1","P 1","1","","","","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","1","1","","Bobin, Mariusz; Day, Iain J.; Roe, Stephen M.; Viseux, Eddy M. E.","Insights into the mechanism for gold catalysis: behaviour of gold(I) amide complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6592","6602","10.1039/c3dt33039g","","x-ray","0.71073","MoKα","","0.0374","0.0305","","","0.0675","0.0706","","","","","","1.048","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022799","10.4641","0.0002","17.3566","0.0005","14.2244","0.0004","90","","90.861","0.001","90","","2583.16","0.12","173","2","173","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C46 H54 Au2 F6 N4 O6 P2 S2 -","- C46 H54 Au2 F6 N4 O6 P2 S2 -","- C92 H108 Au4 F12 N8 O12 P4 S4 -","2","1","","Bobin, Mariusz; Day, Iain J.; Roe, Stephen M.; Viseux, Eddy M. E.","Insights into the mechanism for gold catalysis: behaviour of gold(I) amide complexes in solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6592","6602","10.1039/c3dt33039g","","x-ray","0.71073","MoKα","","0.0665","0.0511","","","0.1053","0.1107","","","","","","1.063","","","","has coordinates","179932","2020-10-21","18:00:00",""
"7022800","13.1157","0.0008","16.0029","0.001","12.0041","0.0019","90","","94.323","0.012","90","","2512.4","0.5","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H34 Cl3 Cu2 N3 O2 -","- C21 H34 Cl3 Cu2 N3 O2 -","- C84 H136 Cl12 Cu8 N12 O8 -","4","1","","de Almeida, Vicente R.; Xavier, Fernando R.; Osório, Renata E H M B; Bessa, Luiza M.; Schilling, Eduardo L.; Costa, Thiago G.; Bortolotto, Tiago; Cavalett, Angélica; Castro, Frederico A. V.; Vilhena, Felipe; Alves, Odivaldo C.; Terenzi, Hernán; Eleutherio, Elis C. A.; Pereira, Marcos D.; Haase, Wolfgang; Tomkowicz, Zbigniew; Szpoganicz, Bruno; Bortoluzzi, Adailton J.; Neves, Ademir","In vitro and in vivo activity of a new unsymmetrical dinuclear copper complex containing a derivative ligand of 1,4,7-triazacyclononane: catalytic promiscuity of [Cu2(L)Cl3].","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7059","7073","10.1039/c3dt33046j","","","0.71069","MoKα","","0.0385","0.0299","","","0.0751","0.0784","","","","","","1.103","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022801","9.9387","0.0003","11.848","0.0004","24.2871","0.0007","90","","92.775","0.002","90","","2856.54","0.15","150","2","150","2","","","","","","","synthesis","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Cl2 F12 O10 P2 Ru2 Sb2 -","- C52 H50 Cl2 F12 O10 P2 Ru2 Sb2 -","- C104 H100 Cl4 F24 O20 P4 Ru4 Sb4 -","2","0.5","","Lastra-Barreira, Beatriz; Díez, Josefina; Crochet, Pascale; Fernández, Israel","Functionalized arene-ruthenium(II) complexes: dangling vs. tethering side chain.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5412","5420","10.1039/c3dt33051f","","","0.71073","MoKα","","0.0721","0.0479","","","0.1234","0.1459","","","","","","1.01","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022802","31.3423","0.0011","14.4711","0.0007","15.096","0.0005","90","","114.85","0.004","90","","6213","0.5","100","2","100","2","","","","","","","synthesis","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H70 Cl3 F6 O6 P2 Ru2 Sb -","- C60 H70 Cl3 F6 O6 P2 Ru2 Sb -","- C240 H280 Cl12 F24 O24 P8 Ru8 Sb4 -","4","0.5","","Lastra-Barreira, Beatriz; Díez, Josefina; Crochet, Pascale; Fernández, Israel","Functionalized arene-ruthenium(II) complexes: dangling vs. tethering side chain.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5412","5420","10.1039/c3dt33051f","","","1.54184","CuKα","","0.0526","0.0423","","","0.1165","0.1206","","","","","","1.027","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022803","11.7393","0.0001","19.5779","0.0002","15.0206","0.0001","90","","99.505","0.001","90","","3404.8","0.05","293","2","293","2","","","","","","","synthesis","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl F6 O5 P Ru Sb -","- C30 H33 Cl F6 O5 P Ru Sb -","- C120 H132 Cl4 F24 O20 P4 Ru4 Sb4 -","4","1","","Lastra-Barreira, Beatriz; Díez, Josefina; Crochet, Pascale; Fernández, Israel","Functionalized arene-ruthenium(II) complexes: dangling vs. tethering side chain.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5412","5420","10.1039/c3dt33051f","","","1.54184","CuKα","","0.0607","0.0583","","","0.1672","0.17","","","","","","1.081","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022804","13.244","0.004","19.003","0.006","21.832","0.006","90","","90","","90","","5495","3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C53 H81 N4 O2 Si2 Yb -","- C53 H81 N4 O2 Si2 Yb -","- C212 H324 N16 O8 Si8 Yb4 -","4","1","","Tu, Jing; Li, Wenbo; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Bridged bis(amidinate) lanthanide aryloxides: syntheses, structures, and catalytic activity for addition of amines to carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5890","5901","10.1039/c3dt33069a","","","0.71075","MoKα","","0.0674","0.0585","","","0.1428","0.167","","","","","","1.094","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022805","13.98","0.002","26.11","0.003","17.139","0.003","90","","111.891","0.004","90","","5804.9","1.5","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H86 N7 O2 Si2 Yb -","- C55 H86 N7 O2 Si2 Yb -","- C220 H344 N28 O8 Si8 Yb4 -","4","1","","Tu, Jing; Li, Wenbo; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Bridged bis(amidinate) lanthanide aryloxides: syntheses, structures, and catalytic activity for addition of amines to carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5890","5901","10.1039/c3dt33069a","","","0.71075","MoKα","","0.1327","0.0984","","","0.141","0.1558","","","","","","1.188","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022806","18.079","0.002","18.777","0.002","18.448","0.002","90","","109.725","0.003","90","","5895.1","1.1","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55 H85 Cl N7 O2 Si2 Yb -","- C55 H85 Cl N7 O2 Si2 Yb -","- C220 H340 Cl4 N28 O8 Si8 Yb4 -","4","1","","Tu, Jing; Li, Wenbo; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Bridged bis(amidinate) lanthanide aryloxides: syntheses, structures, and catalytic activity for addition of amines to carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5890","5901","10.1039/c3dt33069a","","","0.71075","MoKα","","0.0857","0.0705","","","0.1494","0.1588","","","","","","1.173","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022807","24.6655","0.0011","8.683","0.0003","20.0629","0.0007","90","","106.124","0.004","90","","4127.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H61 N4 O3 Si2 Y -","- C39 H61 N4 O3 Si2 Y -","- C156 H244 N16 O12 Si8 Y4 -","4","1","","Tu, Jing; Li, Wenbo; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Bridged bis(amidinate) lanthanide aryloxides: syntheses, structures, and catalytic activity for addition of amines to carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5890","5901","10.1039/c3dt33069a","","","0.7107","MoKα","","0.0721","0.0515","","","0.1216","0.1292","","","","","","1.072","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022808","8.6929","0.0002","52.4298","0.0017","19.5627","0.0007","90","","90","","90","","8916","0.5","200","2","200","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C42 H61 N4 O3 Si2 Y -","- C42 H61 N4 O3 Si2 Y -","- C336 H488 N32 O24 Si16 Y8 -","8","1","","Tu, Jing; Li, Wenbo; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Bridged bis(amidinate) lanthanide aryloxides: syntheses, structures, and catalytic activity for addition of amines to carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5890","5901","10.1039/c3dt33069a","","","0.7107","MoKα","","0.1209","0.0986","","","0.1725","0.181","","","","","","1.193","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022809","9.0793","0.0002","14.3645","0.0003","33.6538","0.0008","90","","95.124","0.002","90","","4371.58","0.17","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H67 N4 Nd O3 Si2 -","- C42 H67 N4 Nd O3 Si2 -","- C168 H268 N16 Nd4 O12 Si8 -","4","1","","Tu, Jing; Li, Wenbo; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Bridged bis(amidinate) lanthanide aryloxides: syntheses, structures, and catalytic activity for addition of amines to carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5890","5901","10.1039/c3dt33069a","","","0.7107","MoKα","","0.0483","0.0335","","","0.062","0.0653","","","","","","1.032","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022810","9.0917","0.0004","14.3482","0.0007","33.791","0.0017","90","","95.344","0.002","90","","4388.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H67 N4 O3 Si2 Sm -","- C42 H67 N4 O3 Si2 Sm -","- C168 H268 N16 O12 Si8 Sm4 -","4","1","","Tu, Jing; Li, Wenbo; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Bridged bis(amidinate) lanthanide aryloxides: syntheses, structures, and catalytic activity for addition of amines to carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5890","5901","10.1039/c3dt33069a","","","0.71073","MoKα","","0.0294","0.0254","","","0.0607","0.062","","","","","","1.129","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022811","22.7177","0.0009","9.1356","0.0003","21.8886","0.0009","90","","91.349","0.001","90","","4541.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H67 N4 O3 Si2 Yb -","- C42 H67 N4 O3 Si2 Yb -","- C168 H268 N16 O12 Si8 Yb4 -","4","1","","Tu, Jing; Li, Wenbo; Xue, Mingqiang; Zhang, Yong; Shen, Qi","Bridged bis(amidinate) lanthanide aryloxides: syntheses, structures, and catalytic activity for addition of amines to carbodiimides.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5890","5901","10.1039/c3dt33069a","","","0.71075","MoKα","","0.0434","0.0375","","","0.0827","0.0858","","","","","","1.072","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022812","6.4645","0.0012","6.6032","0.0014","14.076","0.003","97.978","0.011","91.056","0.01","100.223","0.012","585","0.2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 N5 O2 -","- C13 H9 N5 O2 -","- C26 H18 N10 O4 -","2","1","","Wolff, Mariusz; Munoz, Luc; François, Alison; Carrayon, Chantal; Seridi, Achour; Saffon, Nathalie; Picard, Claude; Machura, Barbara; Benoist, Eric","Tricarbonylrhenium complexes from 2-pyridyl-1,2,3-triazole ligands bearing a 4-substituted phenyl arm: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7019","7031","10.1039/c3dt33071k","","","0.71073","MoKα","","0.0711","0.0443","","","0.1008","0.1144","","","","","","1.031","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022813","9.3391","0.0002","11.0822","0.0003","11.5507","0.0003","62.607","0.001","86.533","0.001","83.729","0.001","1055","0.05","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Cl N5 O6 Re -","- C19 H15 Cl N5 O6 Re -","- C38 H30 Cl2 N10 O12 Re2 -","2","1","","Wolff, Mariusz; Munoz, Luc; François, Alison; Carrayon, Chantal; Seridi, Achour; Saffon, Nathalie; Picard, Claude; Machura, Barbara; Benoist, Eric","Tricarbonylrhenium complexes from 2-pyridyl-1,2,3-triazole ligands bearing a 4-substituted phenyl arm: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7019","7031","10.1039/c3dt33071k","","","0.71073","MoKα","","0.0296","0.0229","","","0.0475","0.0501","","","","","","1.067","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022814","10.2075","0.0004","10.3218","0.0005","10.5372","0.0004","64.434","0.005","88.975","0.003","85.241","0.004","997.85","0.08","295","0.2","295","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H13 Cl2 N4 O4 Re -","- C17 H13 Cl2 N4 O4 Re -","- C34 H26 Cl4 N8 O8 Re2 -","2","1","","Wolff, Mariusz; Munoz, Luc; François, Alison; Carrayon, Chantal; Seridi, Achour; Saffon, Nathalie; Picard, Claude; Machura, Barbara; Benoist, Eric","Tricarbonylrhenium complexes from 2-pyridyl-1,2,3-triazole ligands bearing a 4-substituted phenyl arm: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7019","7031","10.1039/c3dt33071k","","","0.71073","MoKα","","0.0362","0.0266","","","0.0433","0.0448","","","","","","0.955","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022815","10.9303","0.0012","11.0153","0.0012","19.836","0.002","90","","90","","90","","2388.3","0.4","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","2,6-bis(1-phenyl-1H-benzo[d]imidazol-2-yl)pyridine","2,6-bis(1-phenyl-1H-benzo[d]imidazol-2-yl)pyridine","","- C31 H21 N5 -","- C31 H21 N5 -","- C124 H84 N20 -","4","0.5","","Liu, Shenggui; Cao, Wenqiang; Yu, Lianling; Zheng, Wenjie; Li, Linlin; Fan, Cundong; Chen, Tianfeng","Zinc(II) complexes containing bis-benzimidazole derivatives as a new class of apoptosis inducers that trigger DNA damage-mediated p53 phosphorylation in cancer cells.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5932","5940","10.1039/c3dt33077j","","","0.71073","MoKα","","0.0498","0.0352","","","0.083","0.0929","","","","","","1.032","","","","has coordinates","201217","2020-10-21","18:00:00",""
"7022816","15.743","0.002","9.4359","0.0014","17.663","0.003","90","","90.993","0.002","90","","2623.4","0.7","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","N,N-bis(phenyl)-2,6-bis-(benzimidazol-2-yl)pyridine dichoride zinc(II)","","- C31 H21 Cl2 N5 Zn -","- C31 H21 Cl2 N5 Zn -","- C124 H84 Cl8 N20 Zn4 -","4","1","","Liu, Shenggui; Cao, Wenqiang; Yu, Lianling; Zheng, Wenjie; Li, Linlin; Fan, Cundong; Chen, Tianfeng","Zinc(II) complexes containing bis-benzimidazole derivatives as a new class of apoptosis inducers that trigger DNA damage-mediated p53 phosphorylation in cancer cells.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5932","5940","10.1039/c3dt33077j","","","0.71073","MoKα","","0.0351","0.0287","","","0.0631","0.0663","","","","","","1.095","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022817","11.1528","0.001","13.9924","0.0012","19.1852","0.0017","82.096","0.001","76.343","0.001","89.232","0.001","2881.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","ethanol perchlorate bis[2,6-bis(1-pheny-1H-benzo[d]imidazo-2-yl)pyridine] zinc(II)","","- C64 H50 Cl2 N10 O10 Zn -","- C64 H50 Cl2 N10 O10 Zn -","- C128 H100 Cl4 N20 O20 Zn2 -","2","1","","Liu, Shenggui; Cao, Wenqiang; Yu, Lianling; Zheng, Wenjie; Li, Linlin; Fan, Cundong; Chen, Tianfeng","Zinc(II) complexes containing bis-benzimidazole derivatives as a new class of apoptosis inducers that trigger DNA damage-mediated p53 phosphorylation in cancer cells.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5932","5940","10.1039/c3dt33077j","","","0.71073","MoKα","","0.1001","0.0759","","","0.2068","0.2349","","","","","","1.056","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022818","11.6031","0.0015","14.6279","0.0019","19.142","0.003","76.683","0.002","82.873","0.002","88.34","0.002","3137.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","spiro(tetrakis-3-pyridyloxy)cyclotriphosphazene","","","- C32 H24 N7 O6 P3 -","- C32 H24 N7 O6 P3 -","- C128 H96 N28 O24 P12 -","4","2","","Chandrasekhar, Vadapalli; Narayanan, Ramakirushnan Suriya","Metalation studies of 3- and 4-pyridyloxycyclophosphazenes: metallamacrocycles to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6619","6632","10.1039/c3dt33084b","","","0.71073","MoKα","","0.0966","0.0582","","","0.1293","0.1554","","","","","","1.004","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022819","13.015","0.002","13.723","0.002","15.691","0.002","79.25","0.003","77.262","0.003","81.256","0.003","2667.5","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H56 Cl32 Cu4 N14 O12 P6 -","- C72 H56 Cl32 Cu4 N14 O12 P6 -","- C72 H56 Cl32 Cu4 N14 O12 P6 -","1","0.5","","Chandrasekhar, Vadapalli; Narayanan, Ramakirushnan Suriya","Metalation studies of 3- and 4-pyridyloxycyclophosphazenes: metallamacrocycles to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6619","6632","10.1039/c3dt33084b","","","0.71073","MoKα","","0.1019","0.0606","","","0.1427","0.1737","","","","","","0.981","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022820","27.73","0.002","11.791","0.003","26.394","0.004","90","","112.26","0.03","90","","7987","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H60 Ag4 N19 O29 P6 -","- C69 H60 Ag4 N19 O29 P6 -","- C276 H240 Ag16 N76 O116 P24 -","4","0.5","","Chandrasekhar, Vadapalli; Narayanan, Ramakirushnan Suriya","Metalation studies of 3- and 4-pyridyloxycyclophosphazenes: metallamacrocycles to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6619","6632","10.1039/c3dt33084b","","","0.71073","MoKα","","0.0546","0.0452","","","0.1143","0.1199","","","","","","1.06","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022821","22.167","0.004","14.195","0.003","15.405","0.003","90","","122.04","0.03","90","","4109","1.9","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H24 Cl4 N7 O6 P3 Zn2 -","- C32 H24 Cl4 N7 O6 P3 Zn2 -","- C128 H96 Cl16 N28 O24 P12 Zn8 -","4","0.5","","Chandrasekhar, Vadapalli; Narayanan, Ramakirushnan Suriya","Metalation studies of 3- and 4-pyridyloxycyclophosphazenes: metallamacrocycles to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6619","6632","10.1039/c3dt33084b","","","0.71073","MoKα","","0.0408","0.0354","","","0.0956","0.1009","","","","","","1.082","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022822","27.787","0.003","11.9727","0.0012","29.607","0.003","90","","94.856","0.003","90","","9814.5","1.8","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C68 H65 Cd3 N20 O35 P6 -","- C68 H65 Cd3 N20 O35 P6 -","- C272 H260 Cd12 N80 O140 P24 -","4","0.5","","Chandrasekhar, Vadapalli; Narayanan, Ramakirushnan Suriya","Metalation studies of 3- and 4-pyridyloxycyclophosphazenes: metallamacrocycles to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6619","6632","10.1039/c3dt33084b","","","0.71073","MoKα","","0.1105","0.0739","","","0.1908","0.2243","","","","","","1.086","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022823","9.708","0.005","25.369","0.005","17.721","0.005","90","0.005","105.577","0.005","90","0.005","4204","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H52 Cl14 Co N10 O12 P6 -","- C72 H52 Cl14 Co N10 O12 P6 -","- C144 H104 Cl28 Co2 N20 O24 P12 -","2","0.5","","Chandrasekhar, Vadapalli; Narayanan, Ramakirushnan Suriya","Metalation studies of 3- and 4-pyridyloxycyclophosphazenes: metallamacrocycles to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6619","6632","10.1039/c3dt33084b","","","0.71069","MoKα","","0.112","0.0666","","","0.1603","0.1926","","","","","","1.026","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022824","35.47","0.007","11.331","0.002","24.468","0.005","90","","104.74","0.03","90","","9510","3","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cl2 Cu N5 O6 P3 -","- C34 H24 Cl2 Cu N5 O6 P3 -","- C272 H192 Cl16 Cu8 N40 O48 P24 -","8","1","","Chandrasekhar, Vadapalli; Narayanan, Ramakirushnan Suriya","Metalation studies of 3- and 4-pyridyloxycyclophosphazenes: metallamacrocycles to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6619","6632","10.1039/c3dt33084b","","","0.71073","MoKα","","0.1028","0.0624","","","0.1633","0.1837","","","","","","0.906","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022825","11.299","0.004","21.076","0.008","15.289","0.006","90","","92.992","0.007","90","","3636","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H62 Cl2 Cu N12 O14 P6 -","- C74 H62 Cl2 Cu N12 O14 P6 -","- C148 H124 Cl4 Cu2 N24 O28 P12 -","2","0.5","","Chandrasekhar, Vadapalli; Narayanan, Ramakirushnan Suriya","Metalation studies of 3- and 4-pyridyloxycyclophosphazenes: metallamacrocycles to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6619","6632","10.1039/c3dt33084b","","","0.71073","MoKα","","0.1171","0.0639","","","0.1461","0.1764","","","","","","0.956","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022826","31.874","0.005","11.337","0.005","21.874","0.005","90","","90","","90","","7904","4","293","2","293","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C69 H50 Cd Cl2 N12 O18 P6 -","- C69 H50 Cd Cl2 N12 O18 P6 -","- C276 H200 Cd4 Cl8 N48 O72 P24 -","4","0.5","","Chandrasekhar, Vadapalli; Narayanan, Ramakirushnan Suriya","Metalation studies of 3- and 4-pyridyloxycyclophosphazenes: metallamacrocycles to coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6619","6632","10.1039/c3dt33084b","","","0.71073","MOKα","","0.0911","0.0741","","","0.209","0.2224","","","","","","1.051","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022827","27.586","0.004","13.543","0.002","21.015","0.003","90","","90","","90","","7851","2","150.1","","150","","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C33 H28.5 F12 N7.5 P2 Pd Pt S2 -","- C33 H28.5 F12 N7.5 P2 Pd Pt S2 -","- C264 H228 F96 N60 P16 Pd8 Pt8 S16 -","8","1","","Ohba, Tadashi; Kobayashi, Atsushi; Chang, Ho-Chol; Kato, Masako","Vapour and mechanically induced chromic behaviour of platinum complexes with a dimer-of-dimer motif and the effects of heterometal ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5514","5523","10.1039/c3dt33100h","","","0.7107","MoKα","","","0.0605","","","","0.1087","","","","","","1.313","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022828","22.673","0.003","13.0501","0.0019","30.037","0.005","90","","100.192","0.0005","90","","8747","2","150.1","","150","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Au F18 N8 P3 Pt S2 -","- C34 H30 Au F17.995 N8 P3 Pt S2 -","- C272 H240 Au8 F143.96 N64 P24 Pt8 S16 -","8","1","","Ohba, Tadashi; Kobayashi, Atsushi; Chang, Ho-Chol; Kato, Masako","Vapour and mechanically induced chromic behaviour of platinum complexes with a dimer-of-dimer motif and the effects of heterometal ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5514","5523","10.1039/c3dt33100h","","","0.7107","MoKα","","","0.0504","","","","0.1169","","","","","","1.165","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022829","24.7736","0.0016","11.1858","0.0008","14.2107","0.0013","90","","92.348","","90","","3934.7","0.5","153","","153","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 F12 N7 P2 Pd Pt S2 -","- C32 H27 F12 N7 P2 Pd Pt S2 -","- C128 H108 F48 N28 P8 Pd4 Pt4 S8 -","4","1","","Ohba, Tadashi; Kobayashi, Atsushi; Chang, Ho-Chol; Kato, Masako","Vapour and mechanically induced chromic behaviour of platinum complexes with a dimer-of-dimer motif and the effects of heterometal ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5514","5523","10.1039/c3dt33100h","","","0.7107","MoKα","","","0.0477","","","","0.1186","","","","","","1.113","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022830","14.1143","0.0017","10.2116","0.0012","8.0319","0.0009","90","","90","","90","","1157.6","0.2","293","2","293","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- I3 O13 Tl V2 -","- I3 O13 Tl V2 -","- I12 O52 Tl4 V8 -","4","0.5","","Huang, Chao; Hu, Chun-Li; Xu, Xiang; Yang, Bing-Ping; Mao, Jiang-Gao","Tl(VO)2O2(IO3)3: a new polar material with a strong SHG response.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7051","7058","10.1039/c3dt33107e","","","0.71073","MoKα","","0.0431","0.0409","","","0.0898","0.0908","","","","","","1.077","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022831","10.22474","0.00015","19.8935","0.0002","18.6553","0.0002","90","","102.45","0.0013","90","","3705.37","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H55 Cl2 Lu N2 O2 -","- C36 H55 Cl2 Lu N2 O2 -","- C144 H220 Cl8 Lu4 N8 O8 -","4","1","","Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A.","Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9211","9225","10.1039/c3dt33108c","","","0.71073","MoKα","","0.0595","0.0332","","","0.0497","0.0533","","","","","","0.965","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022832","13.6998","0.0007","17.3673","0.0009","15.5199","0.0008","90","","90.248","0.001","90","","3692.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H55 Cl2 N2 O2 Y -","- C36 H55 Cl2 N2 O2 Y -","- C144 H220 Cl8 N8 O8 Y4 -","4","2","","Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A.","Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9211","9225","10.1039/c3dt33108c","","","0.71073","MoKα","","0.075","0.0513","","","0.115","0.125","","","","","","0.923","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022833","10.7796","0.0004","21.4931","0.0008","20.097","0.0007","90","","103.884","0.001","90","","4520.2","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H70 Cl2 Li N2 O4 Y -","- C44 H70 Cl2 Li N2 O4 Y -","- C176 H280 Cl8 Li4 N8 O16 Y4 -","4","1","","Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A.","Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9211","9225","10.1039/c3dt33108c","","","0.71073","MoKα","","0.0657","0.0402","","","0.0863","0.0943","","","","","","1.016","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022834","12.8244","0.001","17.1331","0.0014","39.156","0.003","90","","90","","90","","8603.4","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H69 Lu N2 O Si2 -","- C40 H69 Lu N2 O Si2 -","- C320 H552 Lu8 N16 O8 Si16 -","8","1","","Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A.","Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9211","9225","10.1039/c3dt33108c","","","0.71073","MoKα","","0.0813","0.0525","","","0.0827","0.0878","","","","","","1.074","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022835","12.8921","0.0016","17.167","0.002","39.247","0.005","90","","90","","90","","8686.1","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H69 N2 O Si2 Y -","- C40 H69 N2 O Si2 Y -","- C320 H552 N16 O8 Si16 Y8 -","8","1","","Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A.","Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9211","9225","10.1039/c3dt33108c","","","0.71073","MoKα","","0.1396","0.0684","","","0.1229","0.1377","","","","","","0.997","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022836","12.8326","0.0006","20.5123","0.001","13.8751","0.0007","90","","109.973","0.001","90","","3432.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H106 N4 O2 Si2 Y2 -","- C66 H106 N4 O2 Si2 Y2 -","- C132 H212 N8 O4 Si4 Y4 -","2","0.5","","Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A.","Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9211","9225","10.1039/c3dt33108c","","","0.71073","MoKα","","0.0687","0.0465","","","0.116","0.1247","","","","","","1.045","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022837","10.103","0.0006","19.7166","0.0012","18.5131","0.0011","90","","105.332","0.001","90","","3556.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H52 Cl2 N2 O2 Y -","- C34 H52 Cl2 N2 O2 Y -","- C136 H208 Cl8 N8 O8 Y4 -","4","1","","Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A.","Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9211","9225","10.1039/c3dt33108c","","","0.71073","MoKα","","0.0402","0.0292","","","0.067","0.0703","","","","","","1.039","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022838","13.6221","0.0013","12.2902","0.0012","19.4681","0.0019","90","","100.295","0.002","90","","3206.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Li N4 -","- C32 H52 Li N4 -","- C128 H208 Li4 N16 -","4","1","","Kissel, Alexander A.; Lyubov, Dmitry M.; Mahrova, Tatyana V.; Fukin, Georgy K.; Cherkasov, Anton V.; Glukhova, Tatyana A.; Cui, Dongmei; Trifonov, Alexander A.","Rare-earth dichloro and bis(alkyl) complexes supported by bulky amido-imino ligand. Synthesis, structure, reactivity and catalytic activity in isoprene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9211","9225","10.1039/c3dt33108c","","","0.71073","MoKα","","0.0764","0.0492","","","0.1095","0.1187","","","","","","1.033","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022839","8.749","0.0002","16.2451","0.0004","21.1497","0.0004","104.151","0.001","94.465","0.001","102.117","0.001","2823.24","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H27 Ir N4 O2.5 S -","- C32.5 H27 Ir N4 O2.5 S -","- C130 H108 Ir4 N16 O10 S4 -","4","2","","Ladouceur, Sébastien; Donato, Loïc; Romain, Maxime; Mudraboyina, Bhanu P.; Johansen, Michael B.; Wisner, James A.; Zysman-Colman, Eli","A rare case of dual emission in a neutral heteroleptic iridium(III) complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8838","8847","10.1039/c3dt33115f","","","1.54178","CuKα","","0.0571","0.0527","","","0.1243","0.1288","","","","","","1.266","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022840","10.335","0.0004","9.6877","0.0004","19.7442","0.0009","90","","104.817","0.001","90","","1911.1","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 N2 O2 S -","- C10 H10 N2 O2 S -","- C80 H80 N16 O16 S8 -","8","1","","Ladouceur, Sébastien; Donato, Loïc; Romain, Maxime; Mudraboyina, Bhanu P.; Johansen, Michael B.; Wisner, James A.; Zysman-Colman, Eli","A rare case of dual emission in a neutral heteroleptic iridium(III) complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8838","8847","10.1039/c3dt33115f","","","0.71073","MoKα","","0.0358","0.0328","","","0.1259","0.1296","","","","","","1.135","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022841","14.889","0.003","11.6","0.002","27.63","0.006","90","","100.77","0.03","90","","4688","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C114 H122 K2 O6 -","- C114 H122 K2 O6 -","- C228 H244 K4 O12 -","2","0.5","","Huang, Yong; Wang, Wei; Lin, Chu-Chieh; Blake, Matthew P.; Clark, Lawrence; Schwarz, Andrew D.; Mountford, Philip","Potassium, zinc, and magnesium complexes of a bulky OOO-tridentate bis(phenolate) ligand: synthesis, structures, and studies of cyclic ester polymerisation.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9313","9324","10.1039/c3dt50135c","","","0.71073","MoKα","","0.0875","0.0465","","","0.1122","0.1238","","","","","","1.027","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022842","13.543","0.003","13.946","0.003","15.444","0.003","104.72","0.03","108.69","0.03","105.77","0.03","2465.8","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H69 K O5 -","- C58 H69 K O5 -","- C116 H138 K2 O10 -","2","1","","Huang, Yong; Wang, Wei; Lin, Chu-Chieh; Blake, Matthew P.; Clark, Lawrence; Schwarz, Andrew D.; Mountford, Philip","Potassium, zinc, and magnesium complexes of a bulky OOO-tridentate bis(phenolate) ligand: synthesis, structures, and studies of cyclic ester polymerisation.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9313","9324","10.1039/c3dt50135c","","","0.71073","MoKα","","0.066","0.048","","","0.1406","0.151","","","","","","1.084","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7022843","13.0407","0.0009","13.5075","0.0009","16.6604","0.0011","102.995","0.001","99.035","0.001","118.245","0.001","2397.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H120 O6 Zn2 -","- C114 H120 O6 Zn2 -","- C114 H120 O6 Zn2 -","1","0.5","","Huang, Yong; Wang, Wei; Lin, Chu-Chieh; Blake, Matthew P.; Clark, Lawrence; Schwarz, Andrew D.; Mountford, Philip","Potassium, zinc, and magnesium complexes of a bulky OOO-tridentate bis(phenolate) ligand: synthesis, structures, and studies of cyclic ester polymerisation.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9313","9324","10.1039/c3dt50135c","","","0.71073","MoKα","","0.0502","0.0439","","","0.1447","0.1515","","","","","","1.004","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022844","12.498","0.003","13.382","0.003","15.071","0.003","65.05","0.03","68","0.03","65.58","0.03","2018.8","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H104 Mg2 O6 -","- C100 H104 Mg2 O6 -","- C100 H104 Mg2 O6 -","1","0.5","","Huang, Yong; Wang, Wei; Lin, Chu-Chieh; Blake, Matthew P.; Clark, Lawrence; Schwarz, Andrew D.; Mountford, Philip","Potassium, zinc, and magnesium complexes of a bulky OOO-tridentate bis(phenolate) ligand: synthesis, structures, and studies of cyclic ester polymerisation.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9313","9324","10.1039/c3dt50135c","","","0.71073","MoKα","","0.1303","0.0507","","","0.0922","0.1116","","","","","","1.019","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022845","10.4727","0.0011","21.469","0.002","21.279","0.002","90","","92.473","0.003","90","","4779.9","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H78 N2 O5 Zr -","- C45 H78 N2 O5 Zr -","- C180 H312 N8 O20 Zr4 -","4","1","","Liang, Lan-Chang; Lin, Sheng-Ta; Chien, Chia-Cheng; Chen, Ming-Tsz","Zirconium and hafnium complexes containing N-alkyl substituted amine biphenolate ligands: coordination chemistry and living ring-opening polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9286","9293","10.1039/c3dt50152c","","","0.71073","MoKα","","0.0834","0.052","","","0.1199","0.1347","","","","","","1.044","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022846","44.5839","0.0013","11.9319","0.0004","20.2471","0.0005","90","","109.23","0.001","90","","10169.9","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H73 N3 O4 Zr -","- C44 H73 N3 O4 Zr -","- C352 H584 N24 O32 Zr8 -","8","1","","Liang, Lan-Chang; Lin, Sheng-Ta; Chien, Chia-Cheng; Chen, Ming-Tsz","Zirconium and hafnium complexes containing N-alkyl substituted amine biphenolate ligands: coordination chemistry and living ring-opening polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9286","9293","10.1039/c3dt50152c","","","0.71073","MoKα","","0.0618","0.0494","","","0.1461","0.1785","","","","","","1.111","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022847","9.647","0.0016","20.835","0.003","22.341","0.004","90","","96.473","0.002","90","","4461.8","1.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H73 N O5 Zr -","- C42 H73 N O5 Zr -","- C168 H292 N4 O20 Zr4 -","4","1","","Liang, Lan-Chang; Lin, Sheng-Ta; Chien, Chia-Cheng; Chen, Ming-Tsz","Zirconium and hafnium complexes containing N-alkyl substituted amine biphenolate ligands: coordination chemistry and living ring-opening polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9286","9293","10.1039/c3dt50152c","","","0.71073","MoKα","","0.0867","0.0599","","","0.162","0.189","","","","","","0.996","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022848","14.2006","0.0014","15.6501","0.0016","19.191","0.002","90","","90","","90","","4265","0.8","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H68 N2 O4 Zr -","- C41 H68 N2 O4 Zr -","- C164 H272 N8 O16 Zr4 -","4","1","","Liang, Lan-Chang; Lin, Sheng-Ta; Chien, Chia-Cheng; Chen, Ming-Tsz","Zirconium and hafnium complexes containing N-alkyl substituted amine biphenolate ligands: coordination chemistry and living ring-opening polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9286","9293","10.1039/c3dt50152c","","","0.71073","MoKα","","0.0572","0.0511","","","0.1398","0.1473","","","","","","1.121","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022849","14.3071","0.0006","15.6544","0.0005","19.1151","0.0007","90","","90","","90","","4281.2","0.3","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H68 Hf N2 O4 -","- C41 H68 Hf N2 O4 -","- C164 H272 Hf4 N8 O16 -","4","1","","Liang, Lan-Chang; Lin, Sheng-Ta; Chien, Chia-Cheng; Chen, Ming-Tsz","Zirconium and hafnium complexes containing N-alkyl substituted amine biphenolate ligands: coordination chemistry and living ring-opening polymerization catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9286","9293","10.1039/c3dt50152c","","","0.71073","MoKα","","0.0271","0.0234","","","0.0564","0.0657","","","","","","1.091","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022850","13.2098","0.0018","18.524","0.003","35.75","0.005","90","","95.906","0.002","90","","8702","2","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H87 N8 Na2 Ni5 O87.5 Si2 W18 -","- C14 H49 N8 Na2 Ni5 O87.5 Si2 W18 -","- C56 H196 N32 Na8 Ni20 O350 Si8 W72 -","4","1","","Guo, Jiuyu; Zhang, Deng; Chen, Lei; Song, You; Zhu, Dunru; Xu, Yan","Syntheses, structures and magnetic properties of two unprecedented hybrid compounds constructed from open Wells-Dawson anions and high-nuclear transition metal clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8454","8459","10.1039/c3dt50155h","","","0.71073","MoKα","","0.0783","0.0423","","","0.0825","0.0967","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022851","12.645","0.003","19.187","0.005","19.06","0.005","90","","90.188","0.003","90","","4624","2","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C14 H74 Co6 N8 O81 Si2 W18 -","- C14 H51 Co6 N8 O81 Si2 W18 -","- C28 H102 Co12 N16 O162 Si4 W36 -","2","1","","Guo, Jiuyu; Zhang, Deng; Chen, Lei; Song, You; Zhu, Dunru; Xu, Yan","Syntheses, structures and magnetic properties of two unprecedented hybrid compounds constructed from open Wells-Dawson anions and high-nuclear transition metal clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8454","8459","10.1039/c3dt50155h","","","0.71073","MoKα","","0.0379","0.0325","","","0.0804","0.0833","","","","","","1.036","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022852","13.1431","0.0008","13.4151","0.001","13.7079","0.0009","62.032","0.002","64.169","0.001","83.174","0.002","1910.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H72 Cu6 N30 S6 -","- C66 H72 Cu6 N30 S6 -","- C66 H72 Cu6 N30 S6 -","1","0.5","","Hu, Sheng; Yu, Fang-Yong; Zhang, Peng; Lin, Dian-Rong","In situ amination and side group effect of multifunctional heterocyclic thione ligand toward discrete and polymeric cluster constructions.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7731","7740","10.1039/c3dt50165e","","","0.71073","MoKα","","0.0442","0.0354","","","0.0912","0.1009","","","","","","1.074","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022853","11.1491","0.0006","10.366","0.0004","17.858","0.0009","90","","98.33","0.002","90","","2042.1","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Cu N8 S4 -","- C18 H15 Cu N8 S4 -","- C72 H60 Cu4 N32 S16 -","4","0.5","","Hu, Sheng; Yu, Fang-Yong; Zhang, Peng; Lin, Dian-Rong","In situ amination and side group effect of multifunctional heterocyclic thione ligand toward discrete and polymeric cluster constructions.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7731","7740","10.1039/c3dt50165e","","","0.71073","MoKα","","0.0441","0.0342","","","0.0745","0.0812","","","","","","1.087","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022854","31.8956","0.0006","31.8956","0.0006","31.8956","0.0006","90","","90","","90","","32448.3","1.1","293","2","293","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C54 H36 Cl3 Co6 N24 S12 -","- C54 H36 Cl3 Co6 N24 S12 -","- C864 H576 Cl48 Co96 N384 S192 -","16","0.166667","","Hu, Sheng; Yu, Fang-Yong; Zhang, Peng; Lin, Dian-Rong","In situ amination and side group effect of multifunctional heterocyclic thione ligand toward discrete and polymeric cluster constructions.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7731","7740","10.1039/c3dt50165e","","","0.71073","MoKα","","0.0809","0.0528","","","0.1512","0.1724","","","","","","1.14","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022855","8.9542","0.0016","12.028","0.002","14.082","0.003","89.451","0.003","85.613","0.004","81.432","0.004","1495.3","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H40 N2 O2 -","- C30 H30 N2 O -","- C60 H60 N4 O2 -","2","1","","Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.","From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7710","7723","10.1039/c3dt50176k","","","0.71073","MoKα","","0.1155","0.0613","","","0.1362","0.1513","","","","","","0.825","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7022856","9.6467","0.0012","24.689","0.003","11.3413","0.0015","90","","110.409","0.003","90","","2531.6","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 N2 O -","- C31 H34 N2 O -","- C124 H136 N8 O4 -","4","1","","Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.","From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7710","7723","10.1039/c3dt50176k","","","0.71073","MoKα","","0.1604","0.0638","","","0.1102","0.1375","","","","","","0.808","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7022857","15.311","0.002","11.6253","0.0017","32.923","0.005","90","","90.364","0.004","90","","5860","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32.5 H33 Cl N2 O3 Pd -","- C32.5 H33 Cl N2 O3 Pd -","- C260 H264 Cl8 N16 O24 Pd8 -","8","2","","Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.","From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7710","7723","10.1039/c3dt50176k","","","0.71073","MoKα","","0.1671","0.0699","","","0.1035","0.1271","","","","","","0.841","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022858","13.471","0.003","14.913","0.003","16.595","0.004","90","","108.732","0.004","90","","3157.2","1.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Cl2 N2 O3 Pd -","- C33 H36 Cl2 N2 O3 Pd -","- C132 H144 Cl8 N8 O12 Pd4 -","4","1","","Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.","From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7710","7723","10.1039/c3dt50176k","","","0.71073","MoKα","","0.1428","0.0644","","","0.0905","0.107","","","","","","0.86","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022859","10.59","0.0016","10.9142","0.0016","14.16","0.002","92.595","0.003","95.184","0.003","105.297","0.003","1568.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H54 Cl N2 O2 Pd -","- C30 H31 Cl N2 O Pd -","- C60 H62 Cl2 N4 O2 Pd2 -","2","1","","Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.","From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7710","7723","10.1039/c3dt50176k","","","0.71073","MoKα","","0.0849","0.0584","","","0.1216","0.1289","","","","","","0.873","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022860","9.941","0.004","12.678","0.005","20.671","0.008","90","","97.076","0.007","90","","2585.4","1.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cl N2 O Pd -","- C30 H29 Cl N2 O Pd -","- C120 H116 Cl4 N8 O4 Pd4 -","4","1","","Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.","From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7710","7723","10.1039/c3dt50176k","","","0.71073","MoKα","","0.1204","0.0697","","","0.1413","0.1608","","","","","","0.958","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022861","13.427","0.008","17.856","0.011","26.73","0.016","76.396","0.013","86.289","0.014","86.28","0.015","6208","6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H121 Cl11 N10 O5 Pd5 -","- C138 H121 Cl11 N10 O5 Pd5 -","- C276 H242 Cl22 N20 O10 Pd10 -","2","1","","Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.","From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7710","7723","10.1039/c3dt50176k","","","0.71073","MoKα","","0.2329","0.0792","","","0.0993","0.1346","","","","","","0.797","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022862","20.075","0.008","20.075","0.008","28.842","0.017","90","","90","","90","","11623","9","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C39 H49 Cl2 N2 O3 Pd -","- C29 H26 N2 O3 Pd -","- C464 H416 N32 O48 Pd16 -","16","1","","Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.","From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7710","7723","10.1039/c3dt50176k","","","0.71073","MoKα","","0.1453","0.0753","","","0.1631","0.1854","","","","","","0.966","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022863","22.469","0.007","22.469","0.007","22.469","0.007","115.655","0.006","115.655","0.006","115.655","0.006","5952","4","150","2","150","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C52 H79 Cl3 N2 O3 Pd -","- C33 H36 N2 O3 Pd -","- C198 H216 N12 O18 Pd6 -","6","1","","Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.","From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7710","7723","10.1039/c3dt50176k","","","0.71073","MoKα","","0.1881","0.0781","","","0.1533","0.1769","","","","","","0.819","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022864","9.632","0.009","11.597","0.011","13.229","0.012","90.567","0.019","108.415","0.019","112.533","0.018","1280","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cl3 N2 O Pd -","- C28 H27 Cl3 N2 O Pd -","- C56 H54 Cl6 N4 O2 Pd2 -","2","1","","Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.","From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7710","7723","10.1039/c3dt50176k","","","0.71073","MoKα","","0.1526","0.1151","","","0.3053","0.3219","","","","","","1.1","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022865","13.216","0.01","18.856","0.014","11.977","0.009","90","","100.468","0.017","90","","2935","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cl3 N2 O3 Pd -","- C30 H29 Cl3 N2 O3 Pd -","- C120 H116 Cl12 N8 O12 Pd4 -","4","1","","Adeyi, Okoh; Cross, Warren B.; Forrest, Gregory; Godfrey, Luke; Hope, Eric G.; McLeod, Andrew; Singh, Amandeep; Singh, Kuldip; Solan, Gregory A.; Wang, Yining; Wright, Luka A.","From discrete monomeric complexes to hydrogen-bonded dimeric assemblies based on sterically encumbered square planar palladium(II) ONN-pincers.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7710","7723","10.1039/c3dt50176k","","","0.71073","MoKα","","0.1792","0.0785","","","0.1467","0.1757","","","","","","0.937","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022866","16.3781","0.0003","16.3781","0.0003","19.1666","0.0002","90","","90","","120","","4452.49","0.12","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C144 H258 Cl6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0276","0.0257","","","0.0763","0.0775","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022867","16.3363","0.0004","16.3363","0.0004","19.1594","0.0005","90","","90","","120","","4428.13","0.19","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C144 H258 Cl6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0303","0.0279","","","0.0943","0.0957","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022868","16.4751","0.0004","16.4751","0.0004","19.2531","0.0003","90","","90","","120","","4525.72","0.17","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0513","0.0398","","","0.0997","0.1078","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022869","16.4782","0.0002","16.4782","0.0002","19.2576","0.0003","90","","90","","120","","4528.48","0.1","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0293","0.0258","","","0.0881","0.0969","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022870","16.5002","0.0003","16.5002","0.0003","19.1805","0.0002","90","","90","","120","","4522.4","0.13","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0344","0.0286","","","0.0901","0.1019","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022871","16.5019","0.0005","16.5019","0.0005","19.6449","0.0006","90","","90","","120","","4632.9","0.2","293","2","293","2","","","","","","","synthesis as described","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","","0.71073","MoKα","","0.0637","0.0384","","","0.1076","0.1186","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022872","16.4706","0.0003","16.4706","0.0003","19.2727","0.0004","90","","90","","120","","4527.85","0.15","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0423","0.0356","","","0.1138","0.1237","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022873","16.4373","0.0002","16.4373","0.0002","19.2522","0.0002","90","","90","","120","","4504.76","0.09","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0334","0.0286","","","0.08","0.0821","","","","","","0.999","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022874","16.5479","0.0002","16.5479","0.0002","19.6062","0.0004","90","","90","","120","","4649.54","0.12","295","2","295","2","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","1.54184","CuKα","","0.0385","0.0362","","","0.114","0.1163","","","","","","0.996","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022875","16.4359","0.0007","16.4359","0.0007","19.285","0.001","90","","90","","120","","4511.7","0.4","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0832","0.0554","","","0.1439","0.1643","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022876","16.4222","0.0006","16.4222","0.0006","19.3446","0.0004","90","","90","","120","","4518.1","0.3","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0813","0.0558","","","0.1037","0.1121","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022877","11.7371","0.0002","14.9785","0.0002","15.6887","0.0002","90","","103.656","0.001","90","","2680.17","0.07","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C96 H172 Cl4 P8 Pd4 -","4","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0235","0.0195","","","0.0475","0.0498","","","","","","0.996","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022878","12.9992","0.0004","13.8548","0.0004","14.6295","0.0003","90","","90","","90","","2634.79","0.12","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C96 H172 Cl4 P8 Pd4 -","4","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","Mokα","","0.0376","0.0333","","","0.0765","0.0788","","","","","","0.945","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022879","12.8097","0.0003","17.9649","0.0005","22.9892","0.0006","90","","90","","90","","5290.4","0.2","123","0.1","123","0.1","","","","","","","synthesis as described","5","F d 2 d","F -2d -2d","43","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C192 H344 Br8 P16 Pd8 -","8","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0304","0.0284","","","0.0838","0.0862","","","","","","1.032","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022880","15.3928","0.0004","15.5649","0.0004","22.4687","0.0006","90","","90","","90","","5383.2","0.2","123","0.1","123","0.1","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C192 H344 Br8 P16 Pd8 -","8","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","Mokα","","0.048","0.0339","","","0.1011","0.1186","","","","","","1.004","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022881","15.1219","0.0003","11.6115","0.0004","16.1272","0.0003","90","","111.904","0.001","90","","2627.32","0.12","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C96 H172 Br4 P8 Pd4 -","4","2","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.039","0.0323","","","0.0617","0.0638","","","","","","1.066","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022882","16.3407","0.0006","10.8505","0.0005","15.4033","0.0006","90","","102.149","0.002","90","","2669.91","0.19","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 I P2 Pd -","- C24 H43 I P2 Pd -","- C96 H172 I4 P8 Pd4 -","4","1","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0405","0.0337","","","0.078","0.0815","","","","","","0.967","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022883","16.3541","0.0003","16.3541","0.0003","19.1791","0.0005","90","","90","","120","","4442.34","0.16","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C144 H258 Cl6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0575","0.0446","","","0.1299","0.1429","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022884","16.3507","0.0004","16.3507","0.0004","19.1646","0.0006","90","","90","","120","","4437.1","0.2","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C144 H258 Cl6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","Mokα","","0.0433","0.0373","","","0.0949","0.097","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022885","16.3334","0.0003","16.3334","0.0003","19.1661","0.0003","90","","90","","120","","4428.1","0.13","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C144 H258 Cl6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0412","0.0359","","","0.1011","0.1046","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022886","16.366","0.0002","16.366","0.0002","19.1996","0.0003","90","","90","","120","","4453.57","0.1","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Cl P2 Pd -","- C24 H43 Cl P2 Pd -","- C144 H258 Cl6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0378","0.0326","","","0.1013","0.1054","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022887","16.4632","0.0001","16.4632","0.0001","19.2709","0.0002","90","","90","","120","","4523.36","0.06","123","0.1","123","0.1","","","","","","","synthesis as described","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H43 Br P2 Pd -","- C24 H43 Br P2 Pd -","- C144 H258 Br6 P12 Pd6 -","6","0.5","","Johnson, Magnus T.; Džolić, Zoran; Cetina, Mario; Lahtinen, Manu; Ahlquist, Mårten S G; Rissanen, Kari; Öhrström, Lars; Wendt, Ola F.","Preparation of potentially porous, chiral organometallic materials through spontaneous resolution of pincer palladium conformers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8484","8491","10.1039/c3dt50190f","","x-ray","0.71073","MoKα","","0.0246","0.0224","","","0.054","0.0548","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022888","9.4735","0.0011","11.2264","0.0014","14.8297","0.0017","88.562","0.002","88.407","0.002","87.195","0.002","1574.2","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 I9 N O3 -","- C16 H22 I9 N O3 -","- C32 H44 I18 N2 O6 -","2","1","","Pang, Xue; Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","Anionic 3D cage networks self-assembled by iodine and V-shaped pentaiodides using dimeric oxoammonium cations produced in situ as templates.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8788","8795","10.1039/c3dt50191d","","","0.71073","MoKα","","0.0335","0.0284","","","0.0568","0.0585","","","","","","1.037","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022889","6.1278","0.0004","21.8261","0.0013","23.286","0.0013","90","","93.091","0.001","90","","3109.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N O3 -","- C16 H22 N O3 -","- C128 H176 N8 O24 -","8","4","","Pang, Xue; Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","Anionic 3D cage networks self-assembled by iodine and V-shaped pentaiodides using dimeric oxoammonium cations produced in situ as templates.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8788","8795","10.1039/c3dt50191d","","","0.71073","MoKα","","0.0707","0.0526","","","0.1377","0.1516","","","","","","1.041","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022890","8.3526","0.001","8.6543","0.001","10.7547","0.0013","85.213","0.002","75.719","0.002","80.446","0.002","742.2","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cu3 N4 O12 -","- C30 H22 Cu3 N4 O12 -","- C30 H22 Cu3 N4 O12 -","1","0.5","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Lu, Qilin; Xu, Chuang; Liu, Guocheng","Effect of flexible bis-pyridyl-bis-amide ligands and dicarboxylates on the assembly and properties of multifunctional Cu(II) metal-organic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8375","8386","10.1039/c3dt50202c","","","0.71073","MoKα","","0.033","0.0306","","","0.0854","0.0867","","","","","","1.049","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022891","9.0931","0.0006","13.8662","0.001","20.4468","0.0015","90","","92.739","0.001","90","","2575.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cu N5 O12 -","- C22 H25 Cu N5 O12 -","- C88 H100 Cu4 N20 O48 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Lu, Qilin; Xu, Chuang; Liu, Guocheng","Effect of flexible bis-pyridyl-bis-amide ligands and dicarboxylates on the assembly and properties of multifunctional Cu(II) metal-organic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8375","8386","10.1039/c3dt50202c","","","0.71073","MoKα","","0.0645","0.0418","","","0.1035","0.1106","","","","","","1.055","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022892","10.004","0.003","10.719","0.003","11.754","0.003","106.938","0.005","101.838","0.005","92.317","0.004","1173.3","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cu N4 O9 -","- C22 H24 Cu N4 O9 -","- C44 H48 Cu2 N8 O18 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Lu, Qilin; Xu, Chuang; Liu, Guocheng","Effect of flexible bis-pyridyl-bis-amide ligands and dicarboxylates on the assembly and properties of multifunctional Cu(II) metal-organic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8375","8386","10.1039/c3dt50202c","","","0.71073","MoKα","","0.0455","0.0356","","","0.0886","0.0925","","","","","","1.048","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022893","6.9268","0.0007","10.0557","0.0011","11.1566","0.0013","104.553","0.002","99.146","0.002","98.756","0.002","727.43","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Cu N3 O6 -","- C15 H14 Cu N3 O6 -","- C30 H28 Cu2 N6 O12 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Lu, Qilin; Xu, Chuang; Liu, Guocheng","Effect of flexible bis-pyridyl-bis-amide ligands and dicarboxylates on the assembly and properties of multifunctional Cu(II) metal-organic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8375","8386","10.1039/c3dt50202c","","","0.71073","MoKα","","0.0647","0.0432","","","0.0914","0.0978","","","","","","1.006","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022894","8.0878","0.0007","8.8044","0.0008","11.3643","0.001","85.133","0.002","75.909","0.001","87.445","0.002","781.81","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cu3 N4 O12 -","- C32 H26 Cu3 N4 O12 -","- C32 H26 Cu3 N4 O12 -","1","0.5","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Lu, Qilin; Xu, Chuang; Liu, Guocheng","Effect of flexible bis-pyridyl-bis-amide ligands and dicarboxylates on the assembly and properties of multifunctional Cu(II) metal-organic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8375","8386","10.1039/c3dt50202c","","","0.71073","MoKα","","0.0318","0.0284","","","0.0806","0.0822","","","","","","1.064","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022895","5.9159","0.0012","11.62","0.002","12.661","0.003","74.184","0.004","80.552","0.004","81.929","0.004","821.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cu N2 O6 -","- C17 H16 Cu N2 O6 -","- C34 H32 Cu2 N4 O12 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Lu, Qilin; Xu, Chuang; Liu, Guocheng","Effect of flexible bis-pyridyl-bis-amide ligands and dicarboxylates on the assembly and properties of multifunctional Cu(II) metal-organic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8375","8386","10.1039/c3dt50202c","","","0.71073","MoKα","","0.0764","0.0447","","","0.0919","0.0992","","","","","","0.984","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022896","8.9363","0.001","10.1567","0.0012","10.7519","0.0012","80.852","0.002","79.235","0.002","74.262","0.002","916.69","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cu N3 O8 -","- C17 H22 Cu N3 O8 -","- C34 H44 Cu2 N6 O16 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Lu, Qilin; Xu, Chuang; Liu, Guocheng","Effect of flexible bis-pyridyl-bis-amide ligands and dicarboxylates on the assembly and properties of multifunctional Cu(II) metal-organic coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8375","8386","10.1039/c3dt50202c","","","0.71073","MoKα","","0.0545","0.0441","","","0.1074","0.1154","","","","","","1.04","","","","has coordinates,has disorder","179933","2020-10-21","18:00:00",""
"7022897","13.909","0.0004","10.906","0.0002","17.504","0.0004","90","","97.834","0.0013","90","","2630.43","0.11","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 N Zr -","- C32 H37 N Zr -","- C128 H148 N4 Zr4 -","4","1","","Pinkas, Jiří; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Lamač, Martin","Synthetic transformations of a pendant nitrile moiety in group 4 metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7101","7110","10.1039/c3dt50209k","","","0.71073","MoKα","","0.0426","0.0303","","","0.075","0.0803","","","","","","1.039","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022898","8.3978","0.0003","14.4909","0.0005","22.8225","0.0007","90","","90.074","0.002","90","","2777.31","0.16","150","2","150","2","","","","","","","synthesized by the authors","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H38 Cl3 N O Zr -","- C27 H38 Cl3 N O Zr -","- C108 H152 Cl12 N4 O4 Zr4 -","4","1","","Pinkas, Jiří; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Lamač, Martin","Synthetic transformations of a pendant nitrile moiety in group 4 metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7101","7110","10.1039/c3dt50209k","","","0.71073","MoKα","","0.0324","0.0247","","","0.0572","0.0609","","","","","","1.027","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022899","8.197","0.0002","11.4753","0.0003","21.1072","0.0006","90","","98.658","0.001","90","","1962.78","0.09","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl2 N Ti -","- C20 H27 Cl2 N Ti -","- C80 H108 Cl8 N4 Ti4 -","4","1","","Pinkas, Jiří; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Lamač, Martin","Synthetic transformations of a pendant nitrile moiety in group 4 metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7101","7110","10.1039/c3dt50209k","","","0.71073","MoKα","","0.0333","0.0267","","","0.0647","0.0679","","","","","","1.041","","","","has coordinates","179933","2020-10-21","18:00:00",""
"7022900","13.735","0.0003","10.8552","0.0003","17.3126","0.0004","90","","97.84","0.001","90","","2557.12","0.11","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 N Ti -","- C32 H37 N Ti -","- C128 H148 N4 Ti4 -","4","1","","Pinkas, Jiří; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Lamač, Martin","Synthetic transformations of a pendant nitrile moiety in group 4 metallocene complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7101","7110","10.1039/c3dt50209k","","","0.71073","MoKα","","0.0386","0.0304","","","0.0776","0.0822","","","","","","1.025","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022901","23.03","0.009","9.674","0.003","22.455","0.009","90","","99.951","0.012","90","","4928","3","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 N10 Ni O12 S2 -","- C46 H44 N10 Ni O12 S2 -","- C184 H176 N40 Ni4 O48 S8 -","4","0.5","","Chen, Xiao-Chun; Wang, Yin-Ge; Tao, Tao; Geng, Jiao; Huang, Wei; Qian, Hui-Fen","Two pairs of 1 : 2 nickel(II) and copper(II) metal-complex dyes showing the same trans configuration and azo-hydrazone transformation but different thermal properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7679","7692","10.1039/c3dt50229e","","","0.71073","MoKα","","0.1219","0.0562","","","0.1056","0.1192","","","","","","0.805","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022902","22.524","0.004","9.9036","0.0016","22.397","0.004","90","","99.079","0.003","90","","4933.5","1.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H44 Cu N10 O12 S2 -","- C46 H44 Cu N10 O12 S2 -","- C184 H176 Cu4 N40 O48 S8 -","4","0.5","","Chen, Xiao-Chun; Wang, Yin-Ge; Tao, Tao; Geng, Jiao; Huang, Wei; Qian, Hui-Fen","Two pairs of 1 : 2 nickel(II) and copper(II) metal-complex dyes showing the same trans configuration and azo-hydrazone transformation but different thermal properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7679","7692","10.1039/c3dt50229e","","","0.71073","MoKα","","0.0821","0.046","","","0.1025","0.1112","","","","","","0.906","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022903","9.0372","0.0005","10.4058","0.0005","11.1366","0.0006","73.124","0.001","74.222","0.001","77.991","0.001","954.89","0.09","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 N10 Ni O10 -","- C38 H36 N10 Ni O10 -","- C38 H36 N10 Ni O10 -","1","0.5","","Chen, Xiao-Chun; Wang, Yin-Ge; Tao, Tao; Geng, Jiao; Huang, Wei; Qian, Hui-Fen","Two pairs of 1 : 2 nickel(II) and copper(II) metal-complex dyes showing the same trans configuration and azo-hydrazone transformation but different thermal properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7679","7692","10.1039/c3dt50229e","","","0.71073","MoKα","","0.036","0.0311","","","0.0771","0.0788","","","","","","0.987","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022904","9.443","0.005","9.828","0.007","11.689","0.007","72.521","0.01","69.916","0.009","78.602","0.009","966.4","1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36 Cu N10 O10 -","- C38 H36 Cu N10 O10 -","- C38 H36 Cu N10 O10 -","1","0.5","","Chen, Xiao-Chun; Wang, Yin-Ge; Tao, Tao; Geng, Jiao; Huang, Wei; Qian, Hui-Fen","Two pairs of 1 : 2 nickel(II) and copper(II) metal-complex dyes showing the same trans configuration and azo-hydrazone transformation but different thermal properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7679","7692","10.1039/c3dt50229e","","","0.71073","MoKα","","0.0766","0.0522","","","0.1178","0.1289","","","","","","1.05","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022905","15.5773","0.0006","14.8191","0.0006","21.1032","0.0009","90","","108.369","0.001","90","","4623.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 P2 Ru S2 -","- C54 H54 P2 Ru S2 -","- C216 H216 P8 Ru4 S8 -","4","1","","Zhu, Xingxun; Ou, Yaping; Zhang, Jing; Xia, Jian-Long; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua","Dithia[3.3]paracyclophane-based monometal ruthenium acetylide complexes: synthesis, characterization and substituent effects.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7177","7189","10.1039/c3dt50234a","","","0.71073","MoKα","","0.0671","0.0496","","","0.1111","0.1182","","","","","","1.074","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022906","14.9471","0.001","16.7678","0.0012","21.3698","0.0015","90","","107.701","0.001","90","","5102.3","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H66 O P2 Ru S2 -","- C59 H66 O P2 Ru S2 -","- C236 H264 O4 P8 Ru4 S8 -","4","1","","Zhu, Xingxun; Ou, Yaping; Zhang, Jing; Xia, Jian-Long; Yin, Jun; Yu, Guang-Ao; Liu, Sheng Hua","Dithia[3.3]paracyclophane-based monometal ruthenium acetylide complexes: synthesis, characterization and substituent effects.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7177","7189","10.1039/c3dt50234a","","","0.71073","MoKα","","0.0509","0.0458","","","0.1341","0.1386","","","","","","1.083","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022907","10.9788","0.0003","13.0213","0.0004","15.2286","0.0004","109.575","0.002","90.802","0.002","110.176","0.002","1904.59","0.1","180","2","180","2","","","","","","","","9","P -1","-P 1","2","","","","- C41 H38 B Cl F4 Fe N6 P Rh -","- C41 H38 B Cl F4 Fe N6 P Rh -","- C82 H76 B2 Cl2 F8 Fe2 N12 P2 Rh2 -","2","1","","Labande, Agnès; Debono, Nathalie; Sournia-Saquet, Alix; Daran, Jean-Claude; Poli, Rinaldo","Oxidation-promoted activation of a ferrocene C-H bond by a rhodium complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","18","6531","6537","10.1039/c3dt50240f","","","0.71073","MoKα","","0.0345","0.0287","","","0.0715","0.0757","","","","","","1.053","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022908","12.18","0.0007","6.6097","0.0004","25.4001","0.0014","90","","100.959","0.001","90","","2007.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Br2 Cu N S2 -","- C16 H31 Br2 Cu N S2 -","- C64 H124 Br8 Cu4 N4 S8 -","4","1","","Bai, Shi-Qiang; Jiang, Lu; Zuo, Jing-Lin; Hor, T. S. Andy","Hybrid NS ligands supported Cu(I)/(II) complexes for azide-alkyne cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11319","11326","10.1039/c3dt50247c","","","0.71073","MoKα","","0.0366","0.0313","","","0.0759","0.0781","","","","","","1.031","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022909","8.6863","0.0004","12.0925","0.0006","13.6748","0.0006","69.563","0.001","86.265","0.001","70.457","0.001","1266.26","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Cl2 Cu N2 S2 -","- C26 H26 Cl2 Cu N2 S2 -","- C52 H52 Cl4 Cu2 N4 S4 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Zuo, Jing-Lin; Hor, T. S. Andy","Hybrid NS ligands supported Cu(I)/(II) complexes for azide-alkyne cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11319","11326","10.1039/c3dt50247c","","","0.71073","MoKα","","0.0364","0.0322","","","0.0812","0.0845","","","","","","1.041","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022910","7.7667","0.0004","8.2376","0.0004","12.2411","0.0006","92.526","0.001","93.782","0.001","109.716","0.001","733.82","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Cu2 I2 N2 S -","- C11 H10 Cu2 I2 N2 S -","- C22 H20 Cu4 I4 N4 S2 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Zuo, Jing-Lin; Hor, T. S. Andy","Hybrid NS ligands supported Cu(I)/(II) complexes for azide-alkyne cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11319","11326","10.1039/c3dt50247c","","","0.71073","MoKα","","0.0232","0.0219","","","0.0542","0.055","","","","","","1.054","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022911","10.1742","0.0004","11.7158","0.0005","13.8012","0.0005","95.619","0.001","90.223","0.001","94.108","0.001","1632.88","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H27 Cu2 I2 N9 -","- C30 H27 Cu2 I2 N9 -","- C60 H54 Cu4 I4 N18 -","2","1","","Bai, Shi-Qiang; Jiang, Lu; Zuo, Jing-Lin; Hor, T. S. Andy","Hybrid NS ligands supported Cu(I)/(II) complexes for azide-alkyne cycloaddition reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11319","11326","10.1039/c3dt50247c","","","0.71073","MoKα","","0.0377","0.0322","","","0.0793","0.0819","","","","","","1.029","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022912","10.2715","0.0014","10.7122","0.0013","14.188","0.003","91.162","0.013","92.255","0.014","101.349","0.011","1528.8","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H72 Co2 N8 O8 P4 S8 -","- C36 H72 Co2 N8 O8 P4 S8 -","- C36 H72 Co2 N8 O8 P4 S8 -","1","0.5","","Safin, Damir A.; Babashkina, Maria G.; Railliet, Antoine P.; Tumanov, Nikolay A.; Robeyns, Koen; Devlin, Eamonn; Sanakis, Yiannis; Filinchuk, Yaroslav; Garcia, Yann","First structurally characterized self-assembly of bipodal N-thiophosphorylated bis-thiourea with Co(II): magnetic properties and thermal decomposition.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5532","5538","10.1039/c3dt50254f","","","0.71073","MoKα","","0.0989","0.0576","","","0.1326","0.1535","","","","","","0.994","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022913","17.7793","0.0005","7.9981","0.0002","17.2729","0.0006","90","","91.163","0.003","90","","2455.71","0.13","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H36 N2 O4 P2 S2 -","- C16 H36 N2 O4 P2 S2 -","- C64 H144 N8 O16 P8 S8 -","4","0.5","","Safin, Damir A.; Babashkina, Maria G.; Railliet, Antoine P.; Tumanov, Nikolay A.; Robeyns, Koen; Devlin, Eamonn; Sanakis, Yiannis; Filinchuk, Yaroslav; Garcia, Yann","First structurally characterized self-assembly of bipodal N-thiophosphorylated bis-thiourea with Co(II): magnetic properties and thermal decomposition.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5532","5538","10.1039/c3dt50254f","","","0.71073","MoKα","","0.0549","0.041","","","0.1039","0.1117","","","","","","1.055","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022914","5.7855","0.0003","7.0039","0.0011","7.4459","0.0011","117.795","0.016","100.317","0.009","90.118","0.009","261.32","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H18 N2 O4 -","- C8 H18 N2 O4 -","- C8 H18 N2 O4 -","1","0.5","","Safin, Damir A.; Babashkina, Maria G.; Railliet, Antoine P.; Tumanov, Nikolay A.; Robeyns, Koen; Devlin, Eamonn; Sanakis, Yiannis; Filinchuk, Yaroslav; Garcia, Yann","First structurally characterized self-assembly of bipodal N-thiophosphorylated bis-thiourea with Co(II): magnetic properties and thermal decomposition.","Dalton transactions (Cambridge, England : 2003)","2013","42","15","5532","5538","10.1039/c3dt50254f","","","0.71073","MoKα","","0.0453","0.0448","","","0.1093","0.1096","","","","","","1.194","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022915","9.493","0.0019","11.242","0.002","11.27","0.002","82.89","0.03","83.8","0.03","77.68","0.03","1161.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Ca N8 O3 -","- C24 H14 Ca N8 O3 -","- C48 H28 Ca2 N16 O6 -","2","1","","Li, Qiang; Yan, Pengfei; Hou, Guangfeng; Wang, Yan; Li, Guangming","Three alkaline-earth metal complexes with 3D networks constructed from a 7,7,8,8-tetracyanoquinodimethane ligand: synthesis, structure and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7810","7815","10.1039/c3dt50261a","","","0.71073","MoKα","","0.1186","0.0615","","","0.1206","0.1545","","","","","","1.061","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022916","9.809","0.005","11.058","0.005","11.698","0.006","81.23","0.02","81.57","0.019","81.25","0.02","1229.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 Ba N8 O3 -","- C24 H14 Ba N8 O3 -","- C48 H28 Ba2 N16 O6 -","2","1","","Li, Qiang; Yan, Pengfei; Hou, Guangfeng; Wang, Yan; Li, Guangming","Three alkaline-earth metal complexes with 3D networks constructed from a 7,7,8,8-tetracyanoquinodimethane ligand: synthesis, structure and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7810","7815","10.1039/c3dt50261a","","","0.71073","MoKα","","0.0286","0.0241","","","0.0701","0.0771","","","","","","1.135","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022917","9.781","0.002","11.007","0.002","11.382","0.002","80.46","0.03","82.42","0.03","81.98","0.03","1189.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 N8 O3 Sr -","- C24 H14 N8 O3 Sr -","- C48 H28 N16 O6 Sr2 -","2","1","","Li, Qiang; Yan, Pengfei; Hou, Guangfeng; Wang, Yan; Li, Guangming","Three alkaline-earth metal complexes with 3D networks constructed from a 7,7,8,8-tetracyanoquinodimethane ligand: synthesis, structure and electrochemical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7810","7815","10.1039/c3dt50261a","","","0.71073","MoKα","","0.0492","0.0356","","","0.0755","0.0892","","","","","","1.018","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022918","10.4697","0.0007","18.1726","0.0012","14.8982","0.001","90","","90","","90","","2834.6","0.3","273","2","273","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H30 Al2 N2 O2 -","- C30 H30 Al2 N2 O2 -","- C120 H120 Al8 N8 O8 -","4","0.5","","Han, Hong-Ling; Liu, Yan; Liu, Jing-Yu; Nomura, Kotohiro; Li, Yue-Sheng","Synthesis of binuclear phenoxyimino organoaluminum complexes and their use as the catalyst precursors for efficient ring-opening polymerisation of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12346","12353","10.1039/c3dt50264c","","","0.71073","MoKα","","0.0735","0.0463","","","0.1188","0.1347","","","","","","1.058","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022919","16.7382","0.0006","17.1151","0.0006","15.2211","0.0005","90","","90","","90","","4360.5","0.3","185","2","185","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C43 H56 Al2 Cl2 N2 O2 -","- C43 H56 Al2 Cl2 N2 O2 -","- C172 H224 Al8 Cl8 N8 O8 -","4","0.5","","Han, Hong-Ling; Liu, Yan; Liu, Jing-Yu; Nomura, Kotohiro; Li, Yue-Sheng","Synthesis of binuclear phenoxyimino organoaluminum complexes and their use as the catalyst precursors for efficient ring-opening polymerisation of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12346","12353","10.1039/c3dt50264c","","","0.71073","MoKα","","0.0611","0.0479","","","0.1229","0.1339","","","","","","1.052","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022920","13.0666","0.0006","13.3996","0.0006","28.7365","0.0013","90","","102.387","0.001","90","","4914.3","0.4","185","2","185","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H47 Al2 Cl3 N2 O2 -","- C55 H47 Al2 Cl3 N2 O2 -","- C220 H188 Al8 Cl12 N8 O8 -","4","1","","Han, Hong-Ling; Liu, Yan; Liu, Jing-Yu; Nomura, Kotohiro; Li, Yue-Sheng","Synthesis of binuclear phenoxyimino organoaluminum complexes and their use as the catalyst precursors for efficient ring-opening polymerisation of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12346","12353","10.1039/c3dt50264c","","","0.71073","MoKα","","0.1266","0.0902","","","0.2687","0.307","","","","","","1.032","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022921","15.8192","0.0009","13.1067","0.0008","18.7852","0.0011","90","","104.545","0.001","90","","3770","0.4","185","2","185","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H50 Al2 Cl0 N2 O2 -","- C38 H50 Al2 N2 O2 -","- C152 H200 Al8 N8 O8 -","4","0.5","","Han, Hong-Ling; Liu, Yan; Liu, Jing-Yu; Nomura, Kotohiro; Li, Yue-Sheng","Synthesis of binuclear phenoxyimino organoaluminum complexes and their use as the catalyst precursors for efficient ring-opening polymerisation of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12346","12353","10.1039/c3dt50264c","","","0.71073","MoKα","","0.0577","0.045","","","0.1262","0.1325","","","","","","1.09","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022922","17.697","0.002","12.5736","0.0014","16.2599","0.0019","90","","121.377","0.002","90","","3089","0.6","185","2","185","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H40 Al2 Cl2 N2 O2 -","- C27 H40 Al2 Cl2 N2 O2 -","- C108 H160 Al8 Cl8 N8 O8 -","4","0.5","","Han, Hong-Ling; Liu, Yan; Liu, Jing-Yu; Nomura, Kotohiro; Li, Yue-Sheng","Synthesis of binuclear phenoxyimino organoaluminum complexes and their use as the catalyst precursors for efficient ring-opening polymerisation of ε-caprolactone.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12346","12353","10.1039/c3dt50264c","","","0.71073","MoKα","","0.0634","0.0421","","","0.097","0.1087","","","","","","1.037","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022923","10.1099","0.0005","13.9647","0.0006","14.5968","0.0007","102.835","0.003","105.371","0.003","101.007","0.003","1867.79","0.16","273","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H42 B Cl Fe N15 Ni O5 -","- C27 H26 B Cl Fe N15 Ni O5 -","- C54 H52 B2 Cl2 Fe2 N30 Ni2 O10 -","2","1","","Dong, Da-Peng; Zhang, Yan-Juan; Zheng, Hui; Zhuang, Peng-Fei; Zhao, Liang; Xu, Yang; Hu, Jixiang; Liu, Tao; Duan, Chun-Ying","Slow magnetic relaxation in a cyano-bridged ferromagnetic {Fe(III)Ni(II)} alternating chain.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7693","7698","10.1039/c3dt50273b","","","0.71073","MoKα","","0.0609","0.0531","","","0.1346","0.1381","","","","","","1.121","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022924","19.8932","0.0007","19.8932","0.0007","6.6091","0.0002","90","","90","","90","","2615.48","0.15","150","2","150","2","","","","","","","","4","I -4","I -4","82","","","","- C44 H72 O4 Si8 -","- C44 H72 O4 Si8 -","- C88 H144 O8 Si16 -","2","0.25","","Shankar, Ravi; Chaudhary, Manchal; Molloy, Kieran C.; Kociok-Köhn, Gabriele","New cyclotetrasiloxanes bearing sila-alkyl substituted side chains and their applications as templates for gold nanowires.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7768","7774","10.1039/c3dt50284h","","","0.71073","MoKα","","0.0657","0.0575","","","0.1435","0.1505","","","","","","1.065","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022925","9.4275","0.0008","7.9796","0.0005","13.0018","0.0009","90","","91.422","0.007","90","","977.79","0.12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(aqua-(2-hydroxymethylpyridine)-(?3 -sulfate-O,O',O'')-manganese(II)","","- C6 H9 Mn N O6 S -","- C6 H9 Mn N O6 S -","- C24 H36 Mn4 N4 O24 S4 -","4","1","","Zienkiewicz, Małgorzata; Szlachetko, Jakub; Lothschütz, Christian; Hodorowicz, Maciej; Jabłońska-Wawrzycka, Agnieszka; Sá, Jacinto; Barszcz, Barbara","A novel single-site manganese(II) complex of a pyridine derivative as a catalase mimetic for disproportionation of H2O2 in water.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7761","7767","10.1039/c3dt50288k","","","0.7107","MoKα","","0.044","0.0334","","","0.0801","0.086","","","","","","1.042","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022926","11.5441","0.0003","23.74","0.0006","27.0161","0.0006","90","","93.966","0.001","90","","7386.2","0.3","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Aqua(1,1-Bis(5-(pyridine-2-yl)-1,2,4-triazole-3- yl)methanote(1-)) (1,1-Bis(5-(pyridine-2-yl)-1,2,4-triazole-3- yl)methanote(2-))neodimium(iii)","","","- C30 H28 N16 Nd O7 -","- C30 H26 N16 Nd O7 -","- C240 H208 N128 Nd8 O56 -","8","1","","Gusev, Alexey N.; Hasegawa, Miki; Nishchymenko, Galyna A.; Shul'gin, Victor F.; Meshkova, Svetlana B.; Doga, Pavel; Linert, Wolfgang","Ln(III) complexes of a bis(5-(pyridine-2-yl)-1,2,4-triazol-3-yl)methane ligand: synthesis, structure and fluorescent properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","6936","6943","10.1039/c3dt50297j","","","0.71073","MoKα","","0.0569","0.0434","","","0.1296","0.1374","","","","","","1.016","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022927","20.3725","0.0004","27.4946","0.0005","28.3758","0.0006","89.68","0.006","70.539","0.005","70.719","0.005","14047.9","0.9","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C194 H16 N21 O78 Ru2 Si2 W22 -","- C194 H16 N21 O78 Ru2 Si2 W22 -","- C388 H32 N42 O156 Ru4 Si4 W44 -","2","1","","Ogo, Shuhei; Moroi, Sachie; Ueda, Tadaharu; Komaguchi, Kenji; Hayakawa, Shinjiro; Ide, Yusuke; Sano, Tsuneji; Sadakane, Masahiro","Preparation of tetrabutylammonium salt of a mono-Ru(III)-substituted α-Keggin-type silicotungstate with a 4,4'-bipyridine ligand and its electrochemical behaviour in organic solvents.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7190","7195","10.1039/c3dt50300c","","","0.71075","MoKα","","","0.082","","","","0.25","","","","","","1.033","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022928","14.6484","0.0008","16.4358","0.0007","16.5923","0.0008","90","","90","","90","","3994.7","0.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H38 Gd2 N2 O21 -","- C38 H38 Gd2 N2 O21 -","- C152 H152 Gd8 N8 O84 -","4","0.5","","Ma, Ming-Li; Ji, Can; Zang, Shuang-Quan","Syntheses, structures, tunable emission and white light emitting Eu3+ and Tb3+ doped lanthanide metal-organic framework materials.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10579","10586","10.1039/c3dt50315a","","","0.71073","MoKα","","0.0574","0.0528","","","0.1342","0.1372","","","","","","1.057","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022929","14.665","0.0012","16.7949","0.001","16.7292","0.0009","90","","90","","90","","4120.4","0.5","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H38 N2 O21 Pr2 -","- C38 H38 N2 O21 Pr2 -","- C152 H152 N8 O84 Pr8 -","4","0.5","","Ma, Ming-Li; Ji, Can; Zang, Shuang-Quan","Syntheses, structures, tunable emission and white light emitting Eu3+ and Tb3+ doped lanthanide metal-organic framework materials.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10579","10586","10.1039/c3dt50315a","","","0.71073","MoKα","","0.0747","0.0659","","","0.1546","0.1613","","","","","","1.084","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022930","14.6026","0.0004","16.6301","0.0004","16.6617","0.0005","90","","90","","90","","4046.17","0.19","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H38 N2 O21 Sm2 -","- C38 H38 N2 O21 Sm2 -","- C152 H152 N8 O84 Sm8 -","4","0.5","","Ma, Ming-Li; Ji, Can; Zang, Shuang-Quan","Syntheses, structures, tunable emission and white light emitting Eu3+ and Tb3+ doped lanthanide metal-organic framework materials.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10579","10586","10.1039/c3dt50315a","","","0.71073","MoKα","","0.0624","0.0567","","","0.1326","0.136","","","","","","1.096","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022931","14.6702","0.0006","16.3686","0.0005","16.5747","0.0007","90","","90","","90","","3980.1","0.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H38 N2 O21 Tb2 -","- C38 H38 N2 O21 Tb2 -","- C152 H152 N8 O84 Tb8 -","4","0.5","","Ma, Ming-Li; Ji, Can; Zang, Shuang-Quan","Syntheses, structures, tunable emission and white light emitting Eu3+ and Tb3+ doped lanthanide metal-organic framework materials.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10579","10586","10.1039/c3dt50315a","","","0.71073","MoKα","","0.0565","0.0528","","","0.1276","0.1301","","","","","","1.098","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022932","14.6077","0.0006","16.5568","0.0006","16.6303","0.0007","90","","90","","90","","4022.2","0.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C38 H38 Eu2 N2 O21 -","- C38 H38 Eu2 N2 O21 -","- C152 H152 Eu8 N8 O84 -","4","0.5","","Ma, Ming-Li; Ji, Can; Zang, Shuang-Quan","Syntheses, structures, tunable emission and white light emitting Eu3+ and Tb3+ doped lanthanide metal-organic framework materials.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10579","10586","10.1039/c3dt50315a","","","0.71073","MoKα","","0.0594","0.0556","","","0.1378","0.1397","","","","","","1.06","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022933","10.1377","0.0007","10.805","0.0007","13.0202","0.0009","83.376","0.002","78.242","0.002","70.723","0.002","1316.21","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H40 Cl4 Fe N14 O4 S2 -","- C54 H40 Cl4 Fe N14 O4 S2 -","- C54 H40 Cl4 Fe N14 O4 S2 -","1","0.5","","Wannarit, Nanthawat; Roubeau, Olivier; Youngme, Sujittra; Teat, Simon J.; Gamez, Patrick","Influence of supramolecular bonding contacts on the spin crossover behaviour of iron(II) complexes from 2,2'-dipyridylamino/s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7120","7130","10.1039/c3dt50326g","","","0.7749","synchrotron","","0.0641","0.0591","","","0.177","0.1837","","","","","","1.076","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022934","10.2386","0.0008","10.9671","0.0008","13.2109","0.001","85.375","0.002","79.889","0.002","69.869","0.002","1370.84","0.18","240","2","240","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H40 Cl4 Fe N14 O4 S2 -","- C54 H40 Cl4 Fe N14 O4 S2 -","- C54 H40 Cl4 Fe N14 O4 S2 -","1","0.5","","Wannarit, Nanthawat; Roubeau, Olivier; Youngme, Sujittra; Teat, Simon J.; Gamez, Patrick","Influence of supramolecular bonding contacts on the spin crossover behaviour of iron(II) complexes from 2,2'-dipyridylamino/s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7120","7130","10.1039/c3dt50326g","","","0.7749","synchrotron","","0.0769","0.0678","","","0.1984","0.2088","","","","","","1.075","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022935","10.301","0.0014","11.0444","0.0015","13.2848","0.0018","86.033","0.002","80.447","0.002","69.556","0.002","1396.5","0.3","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H40 Cl4 Fe N14 O4 S2 -","- C54 H40 Cl4 Fe N14 O4 S2 -","- C54 H40 Cl4 Fe N14 O4 S2 -","1","0.5","","Wannarit, Nanthawat; Roubeau, Olivier; Youngme, Sujittra; Teat, Simon J.; Gamez, Patrick","Influence of supramolecular bonding contacts on the spin crossover behaviour of iron(II) complexes from 2,2'-dipyridylamino/s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7120","7130","10.1039/c3dt50326g","","","0.7749","synchrotron","","0.1071","0.0918","","","0.2586","0.2813","","","","","","1.051","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022936","8.642","0.002","32.287","0.006","13.175","0.002","90","","111.243","0.012","90","","3426.4","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Cl8 Fe N14 O8 Se2 -","- C60 H60 Cl8 Fe N14 O8 Se2 -","- C120 H120 Cl16 Fe2 N28 O16 Se4 -","2","0.5","","Wannarit, Nanthawat; Roubeau, Olivier; Youngme, Sujittra; Teat, Simon J.; Gamez, Patrick","Influence of supramolecular bonding contacts on the spin crossover behaviour of iron(II) complexes from 2,2'-dipyridylamino/s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7120","7130","10.1039/c3dt50326g","","","0.71073","MoKα","","0.079","0.0657","","","0.1882","0.1978","","","","","","1.065","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022937","8.3499","0.0008","11.358","0.001","15.689","0.002","92.974","0.001","102.616","0.001","99.257","0.001","1427.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H22 F20 Fe N16 O4 S2 -","- C56 H22 F20 Fe N16 O4 S2 -","- C56 H22 F20 Fe N16 O4 S2 -","1","0.5","","Wannarit, Nanthawat; Roubeau, Olivier; Youngme, Sujittra; Teat, Simon J.; Gamez, Patrick","Influence of supramolecular bonding contacts on the spin crossover behaviour of iron(II) complexes from 2,2'-dipyridylamino/s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7120","7130","10.1039/c3dt50326g","","","0.7749","synchrotron","","0.0506","0.0429","","","0.1192","0.1264","","","","","","1.047","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022938","8.412","0.0007","11.4159","0.0009","15.757","0.002","93.293","0.001","102.224","0.001","99.447","0.001","1452.1","0.2","190","2","190","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H22 F20 Fe N16 O4 S2 -","- C56 H22 F20 Fe N16 O4 S2 -","- C56 H22 F20 Fe N16 O4 S2 -","1","0.5","","Wannarit, Nanthawat; Roubeau, Olivier; Youngme, Sujittra; Teat, Simon J.; Gamez, Patrick","Influence of supramolecular bonding contacts on the spin crossover behaviour of iron(II) complexes from 2,2'-dipyridylamino/s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7120","7130","10.1039/c3dt50326g","","","0.7749","synchrotron","","0.0656","0.0548","","","0.1556","0.1681","","","","","","1.035","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022939","8.643","0.002","11.494","0.002","15.844","0.003","94.851","0.002","100.035","0.002","100.981","0.002","1510.2","0.5","280","2","280","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H22 F20 Fe N16 O4 S2 -","- C56 H22 F20 Fe N16 O4 S2 -","- C56 H22 F20 Fe N16 O4 S2 -","1","0.5","","Wannarit, Nanthawat; Roubeau, Olivier; Youngme, Sujittra; Teat, Simon J.; Gamez, Patrick","Influence of supramolecular bonding contacts on the spin crossover behaviour of iron(II) complexes from 2,2'-dipyridylamino/s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7120","7130","10.1039/c3dt50326g","","","0.7749","synchrotron","","0.088","0.0689","","","0.1839","0.2027","","","","","","0.969","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022940","10.84","0.002","11.894","0.002","18.623","0.003","100.603","0.002","105.797","0.002","104.495","0.002","2153.4","0.6","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N6 O2 -","- C25 H18 N6 O2 -","- C100 H72 N24 O8 -","4","2","","Wannarit, Nanthawat; Roubeau, Olivier; Youngme, Sujittra; Teat, Simon J.; Gamez, Patrick","Influence of supramolecular bonding contacts on the spin crossover behaviour of iron(II) complexes from 2,2'-dipyridylamino/s-triazine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7120","7130","10.1039/c3dt50326g","","","0.7749","synchrotron","","0.0715","0.0518","","","0.1407","0.1553","","","","","","1.025","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022941","12.729","0.002","15.35","0.003","15.924","0.003","116.212","0.004","93.122","0.004","98.548","0.005","2735","0.9","130","2","130","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C50 H38 Cl6 F10 Ir N12 P -","- C50 H38 Cl6 F10 Ir N12 P -","- C100 H76 Cl12 F20 Ir2 N24 P2 -","2","1","","Donato, Loïc; Abel, Philippe; Zysman-Colman, Eli","Cationic iridium(III) complexes bearing a bis(triazole) ancillary ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8402","8412","10.1039/c3dt50334h","","x-ray","0.71073","MoKα","","0.0638","0.053","","","0.1227","0.1263","","","","","","1.118","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022942","40.4133","0.0008","40.4133","0.0008","40.4133","0.0008","90","","90","","90","","66004","2","100","2","100","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C82 H156 Cl12 Fe14 N34 O28 -","- C28 H75 Cl12 Fe14 N7 O28 -","- C672 H1800 Cl288 Fe336 N168 O672 -","24","0.5","","Ako, Ayuk M.; Lan, Yanhua; Mereacre, Valeriu; Ruiz, Eliseo; Aravena, Daniel; Anson, Christopher E.; Powell, Annie K.","Spins on a curved surface: an Fe(III)14 ferracalixarene.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9606","9612","10.1039/c3dt50345c","","","0.71073","MoKα","","0.052","0.0438","","","0.1258","0.1304","","","","","","1.034","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022943","7.5044","0.0004","28.6866","0.0009","17.8381","0.0008","90","","101.152","0.005","90","","3767.6","0.3","130","1","130","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 Mn2 N10 O20.5 -","- C26 H37 Mn2 N10 O20.5 -","- C104 H148 Mn8 N40 O82 -","4","1","","Wałęsa-Chorab, Monika; Kubicki, Maciej; Korabik, Maria; Patroniak, Violetta","Novel self-assembled supramolecular architectures of Mn(II) ions with a hybrid pyrazine-bipyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9746","9754","10.1039/c3dt50352f","","","1.5418","CuKα","","0.0383","0.0333","","","0.0884","0.0923","","","","","","1.044","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022944","18.5171","0.0007","30.0858","0.0011","23.2151","0.001","90","","90","","90","","12933.2","0.9","100","1","100","1","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C111 H95.5 Cl8 Mn4 N26.5 O34 -","- C111 H95.5 Cl8 Mn4 N26.5 O26 -","- C444 H382 Cl32 Mn16 N106 O104 -","4","","","Wałęsa-Chorab, Monika; Kubicki, Maciej; Korabik, Maria; Patroniak, Violetta","Novel self-assembled supramolecular architectures of Mn(II) ions with a hybrid pyrazine-bipyridine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9746","9754","10.1039/c3dt50352f","","","0.7107","MoKα","","0.1682","0.1129","","","0.2786","0.3123","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022945","7.25","0.0007","9.4099","0.0009","11.1819","0.001","85.32","0.006","86.289","0.005","81.042","0.005","749.98","0.12","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl Cu N3 O2 -","- C15 H16 Cl Cu N3 O2 -","- C30 H32 Cl2 Cu2 N6 O4 -","2","1","","Alagesan, Mani; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Potentially cytotoxic new copper(II) hydrazone complexes: synthesis, crystal structure and biological properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7210","7223","10.1039/c3dt50371b","","","1.54178","CuKα","","0.0677","0.05","","","0.103","0.1084","","","","","","1.074","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022946","7.1463","0.0007","11.4225","0.0011","18.1483","0.0018","90","","99.366","0.007","90","","1461.7","0.2","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Cl Cu N3 O2 S -","- C13 H14 Cl Cu N3 O2 S -","- C52 H56 Cl4 Cu4 N12 O8 S4 -","4","1","","Alagesan, Mani; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Potentially cytotoxic new copper(II) hydrazone complexes: synthesis, crystal structure and biological properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7210","7223","10.1039/c3dt50371b","","","1.54178","CuKα","","0.0359","0.0307","","","0.0825","0.0835","","","","","","1.109","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022947","9.126","0.007","7.598","0.006","8.267","0.006","90","","90","","90","","573.2","0.8","298","2","298","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C9 H19 Al N2 -","- C9 H19 Al N2 -","- C18 H38 Al2 N4 -","2","0.25","","Li, Di; Peng, Ying; Geng, Chao; Liu, Kaipeng; Kong, Dexu","Well-controlled ring-opening polymerization of cyclic esters initiated by dialkylaluminum β-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11295","11303","10.1039/c3dt50372k","","","0.71073","MoKα","","0.0387","0.036","","","0.0809","0.0818","","","","","","1","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022948","17.867","0.003","23.885","0.004","8.1825","0.0012","90","","90","","90","","3491.9","1","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C15 H31 Al N2 O0 -","- C15 H31 Al N2 -","- C120 H248 Al8 N16 -","8","0.5","","Li, Di; Peng, Ying; Geng, Chao; Liu, Kaipeng; Kong, Dexu","Well-controlled ring-opening polymerization of cyclic esters initiated by dialkylaluminum β-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11295","11303","10.1039/c3dt50372k","","","0.71073","MoKα","","0.039","0.0365","","","0.0982","0.1009","","","","","","1.076","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022949","9.8557","0.0005","25.6952","0.0013","9.2957","0.0004","90","","102.639","0.003","90","","2297.04","0.19","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H43 Al N2 -","- C21 H43 Al N2 -","- C84 H172 Al4 N8 -","4","1","","Li, Di; Peng, Ying; Geng, Chao; Liu, Kaipeng; Kong, Dexu","Well-controlled ring-opening polymerization of cyclic esters initiated by dialkylaluminum β-diketiminates.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11295","11303","10.1039/c3dt50372k","","","0.71073","MoKα","","0.0621","0.0472","","","0.1348","0.1435","","","","","","1","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022950","15.274","0.003","7.443","0.0015","10.573","0.002","90","","99.16","0.03","90","","1186.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Fe N4 -","- C13 H14 Fe N4 -","- C52 H56 Fe4 N16 -","4","1","","Scott, Hayley S.; Nafady, Ayman; Cashion, John D.; Bond, Alan M.; Moubaraki, Boujemaa; Murray, Keith S.; Neville, Suzanne M.","A ferrocenyl-substituted 1,2,4-triazole ligand and its Fe(II), Ni(II) and Cu(II) 1D-chain complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10326","10336","10.1039/c3dt50384d","","","0.71073","MoKα","","0.0609","0.0513","","","0.1281","0.1558","","","","","","1.158","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022951","26.769","0.005","7.173","0.0014","37.396","0.008","90","","91.33","0.03","90","","7179","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C62 H68 Cl2 Cu2 Fe4 N20 O9 S2 -","- C62 H68 Cl2 Cu2 Fe4 N20 O9 S2 -","- C248 H272 Cl8 Cu8 Fe16 N80 O36 S8 -","4","1","","Scott, Hayley S.; Nafady, Ayman; Cashion, John D.; Bond, Alan M.; Moubaraki, Boujemaa; Murray, Keith S.; Neville, Suzanne M.","A ferrocenyl-substituted 1,2,4-triazole ligand and its Fe(II), Ni(II) and Cu(II) 1D-chain complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10326","10336","10.1039/c3dt50384d","","","0.71073","synchrotron","","0.0843","0.0734","","","0.1815","0.1871","","","","","","1.156","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022952","10.241","0.003","10.29","0.003","23.602","0.006","90","","90","","90","","2487.2","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H15 Cl2 Cu N3 O S2 -","- C25 H15 Cl2 Cu N3 O S2 -","- C100 H60 Cl8 Cu4 N12 O4 S8 -","4","1","","Li, Lüying; Du, Kejie; Wang, Yi; Jia, Haina; Hou, Xiaojuan; Chao, Hui; Ji, Liangnian","Self-activating nuclease and anticancer activities of copper(II) complexes with aryl-modified 2,6-di(thiazol-2-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11576","11588","10.1039/c3dt50395j","","","0.71073","MoKα","","0.0609","0.0496","","","0.1383","0.1477","","","","","","1.001","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022953","7.9078","0.0011","11.147","0.0016","11.5729","0.0016","111.368","0.002","92.003","0.002","90.218","0.002","949.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H11 Cl2 Cu N3 O S2 -","- C19 H11 Cl2 Cu N3 O S2 -","- C38 H22 Cl4 Cu2 N6 O2 S4 -","2","1","","Li, Lüying; Du, Kejie; Wang, Yi; Jia, Haina; Hou, Xiaojuan; Chao, Hui; Ji, Liangnian","Self-activating nuclease and anticancer activities of copper(II) complexes with aryl-modified 2,6-di(thiazol-2-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11576","11588","10.1039/c3dt50395j","","","0.71073","MoKα","","0.0453","0.0362","","","0.0895","0.0972","","","","","","1.004","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022954","18.5932","0.0018","8.4641","0.0008","23.526","0.002","90","","102.327","0.002","90","","3617","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 Cl2 Cu N3 S2 -","- C17 H11 Cl2 Cu N3 S2 -","- C136 H88 Cl16 Cu8 N24 S16 -","8","2","","Li, Lüying; Du, Kejie; Wang, Yi; Jia, Haina; Hou, Xiaojuan; Chao, Hui; Ji, Liangnian","Self-activating nuclease and anticancer activities of copper(II) complexes with aryl-modified 2,6-di(thiazol-2-yl)pyridine.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11576","11588","10.1039/c3dt50395j","","","0.71073","MoKα","","0.0686","0.0447","","","0.1094","0.1318","","","","","","1.004","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022955","5.25279","0.00009","8.5405","0.0001","10.8457","0.0002","84.869","0.001","88.183","0.001","72.651","0.001","462.551","0.013","298","","298","","","","","","","","","6","P -1","-P 1","2","1","","","- C3 F N O6 P2 Zr -","- C3 F N O6 P2 Zr -","- C6 F2 N2 O12 P4 Zr2 -","2","1","","Taddei, Marco; Vivani, Riccardo; Costantino, Ferdinando","On the role of non-covalent interactions in the assembly of 3D zirconium methyl- and ethyl-N,N-bis phosphonates.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9671","9678","10.1039/c3dt50400j","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.08601","","3.24","","","","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022956","14.02463","0.00007","14.02463","","25.0329","0.0002","90","","90","","120","","4264.07","0.04","298","","298","","","","","","","","","5","R -3 :H","-R 3","148","2","","","- C8 N2 O12 P4 Zr -","- C8 N2 O12 P4 Zr -","- C72 N18 O108 P36 Zr9 -","9","0.5","","Taddei, Marco; Vivani, Riccardo; Costantino, Ferdinando","On the role of non-covalent interactions in the assembly of 3D zirconium methyl- and ethyl-N,N-bis phosphonates.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9671","9678","10.1039/c3dt50400j","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.0688","","3.11","","","","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022957","10.381","0.002","11.108","0.002","12.085","0.002","106.65","0.03","103.76","0.03","91.62","0.03","1289.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H42 Cd2 N12 O11 -","- C56 H36 Cd2 N12 O11 -","- C56 H36 Cd2 N12 O11 -","1","0.5","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Wang, Yan-Ning; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","New Cd2+, Pb2+ complexes with acylhydrazidate molecules from in situ acylation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8771","8780","10.1039/c3dt50411e","","","0.71073","MoKα","","0.0346","0.0289","","","0.0795","0.084","","","","","","1.105","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022958","9.2903","0.0019","12.44","0.003","15.951","0.003","88","0.03","88.44","0.03","79.83","0.03","1813","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H38 Cd3 Cl12 N16 O14 -","- C72 H34 Cd3 Cl12 N16 O14 -","- C72 H34 Cd3 Cl12 N16 O14 -","1","0.5","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Wang, Yan-Ning; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","New Cd2+, Pb2+ complexes with acylhydrazidate molecules from in situ acylation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8771","8780","10.1039/c3dt50411e","","","0.71073","MoKα","","0.0582","0.0416","","","0.0912","0.1044","","","","","","1.081","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022959","13.216","0.003","5.31","0.0011","10.982","0.002","90","","100.69","0.03","90","","757.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cd N6 O6 -","- C14 H12 Cd N6 O6 -","- C28 H24 Cd2 N12 O12 -","2","0.5","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Wang, Yan-Ning; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","New Cd2+, Pb2+ complexes with acylhydrazidate molecules from in situ acylation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8771","8780","10.1039/c3dt50411e","","","0.71073","MoKα","","0.0202","0.0189","","","0.0698","0.0705","","","","","","1.135","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022960","21.156","0.004","9.7332","0.0019","23.917","0.005","90","","90","","90","","4924.9","1.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H16 N6 O6 Pb S -","- C28 H16 N6 O6 Pb S -","- C224 H128 N48 O48 Pb8 S8 -","8","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Wang, Yan-Ning; Jia, Hong-Li; Yu, Jie-Hui; Xu, Ji-Qing","New Cd2+, Pb2+ complexes with acylhydrazidate molecules from in situ acylation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8771","8780","10.1039/c3dt50411e","","","0.71073","MoKα","","0.0372","0.0257","","","0.055","0.0582","","","","","","1.04","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022961","7.413","0.004","10.139","0.005","5.717","0.003","90","","90","","90","","429.7","0.4","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- F H Mn2 O4 S -","- F H Mn2 O4 S -","- F4 H4 Mn8 O16 S4 -","4","0.5","","Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori","Single crystal growth of the novel Mn2(OH)2SO3, Mn2F(OH)SO3, and Mn5(OH)4(H2O)2[SO3]2[SO4] compounds using a hydrothermal method.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7158","7166","10.1039/c3dt50415h","","","0.71073","MoKα","","0.0965","0.0398","","","0.0801","0.1108","","","","1.1","1.1","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022962","7.6117","0.0007","8.5326","0.0007","10.9273","0.0009","90","","101.601","0.0013","90","","695.21","0.1","293","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- H8 Mn5 O16 S3 -","- H8 Mn5 O16 S3 -","- H16 Mn10 O32 S6 -","2","0.5","","Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori","Single crystal growth of the novel Mn2(OH)2SO3, Mn2F(OH)SO3, and Mn5(OH)4(H2O)2[SO3]2[SO4] compounds using a hydrothermal method.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7158","7166","10.1039/c3dt50415h","","","0.71073","MoKα","","0.036","0.0347","","","0.0802","0.0824","","","","1.14","1.14","1.15","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022963","7.358","0.0014","10.343","0.002","5.7611","0.0011","90","","90","","90","","438.44","0.15","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H2 Mn2 O5 S -","- H2 Mn2 O5 S -","- H8 Mn8 O20 S4 -","4","0.5","","Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori","Single crystal growth of the novel Mn2(OH)2SO3, Mn2F(OH)SO3, and Mn5(OH)4(H2O)2[SO3]2[SO4] compounds using a hydrothermal method.","Dalton transactions (Cambridge, England : 2003)","2013","42","19","7158","7166","10.1039/c3dt50415h","","","0.71073","MoKα","","0.0554","0.0301","","","0.0633","0.0725","","","","0.93","0.93","0.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022964","10.086","0.0013","14.185","0.0018","14.815","0.003","95.579","0.004","98.024","0.005","103.237","0.01","2024.6","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Cl2 Cu N6 O4 S4 -","- C38 H28 Cl2 Cu N6 O4 S4 -","- C76 H56 Cl4 Cu2 N12 O8 S8 -","2","1","","González-Álvarez, Marta; Pascual-Álvarez, Alejandro; del Castillo Agudo, Lucas; Castiñeiras, Alfonso; Liu-González, Malva; Borrás, Joaquín; Alzuet-Piña, Gloria","Mixed-ligand copper(II)-sulfonamide complexes: effect of the sulfonamide derivative on DNA binding, DNA cleavage, genotoxicity and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10244","10259","10.1039/c3dt50416f","","","0.71073","MoKα","","0.0811","0.0536","","","0.1247","0.1398","","","","","","1.054","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022965","9.801","0.0009","12.642","0.0014","16.108","0.0018","78.599","0.005","79.689","0.006","73.125","0.005","1856.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H30 Cu N6 O4 S4 -","- C38 H30 Cu N6 O4 S4 -","- C76 H60 Cu2 N12 O8 S8 -","2","1","","González-Álvarez, Marta; Pascual-Álvarez, Alejandro; del Castillo Agudo, Lucas; Castiñeiras, Alfonso; Liu-González, Malva; Borrás, Joaquín; Alzuet-Piña, Gloria","Mixed-ligand copper(II)-sulfonamide complexes: effect of the sulfonamide derivative on DNA binding, DNA cleavage, genotoxicity and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10244","10259","10.1039/c3dt50416f","","","1.54184","CuKα","","0.0454","0.0375","","","0.1267","0.1825","","","","","","0.943","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022966","23.171","0.0004","11.941","0.0003","32.011","0.0007","90","","106.527","0.001","90","","8491","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H39 Cu N6 O4.5 S4 -","- C42 H39 Cu N6 O4.5 S4 -","- C336 H312 Cu8 N48 O36 S32 -","8","2","","González-Álvarez, Marta; Pascual-Álvarez, Alejandro; del Castillo Agudo, Lucas; Castiñeiras, Alfonso; Liu-González, Malva; Borrás, Joaquín; Alzuet-Piña, Gloria","Mixed-ligand copper(II)-sulfonamide complexes: effect of the sulfonamide derivative on DNA binding, DNA cleavage, genotoxicity and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10244","10259","10.1039/c3dt50416f","","","1.54184","CuKα","","0.138","0.0559","","","0.1219","0.1604","","","","","","0.961","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022967","23.234","0.005","16.908","0.005","22.099","0.005","90","","116.953","0.005","90","","7738","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Cu N6 O4 S4 -","- C40 H34 Cu N6 O4 S4 -","- C320 H272 Cu8 N48 O32 S32 -","8","1","","González-Álvarez, Marta; Pascual-Álvarez, Alejandro; del Castillo Agudo, Lucas; Castiñeiras, Alfonso; Liu-González, Malva; Borrás, Joaquín; Alzuet-Piña, Gloria","Mixed-ligand copper(II)-sulfonamide complexes: effect of the sulfonamide derivative on DNA binding, DNA cleavage, genotoxicity and anticancer activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10244","10259","10.1039/c3dt50416f","","","1.54184","CuKα","","0.08","0.0518","","","0.1391","0.1615","","","","","","1.049","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022968","10.9985","0.0004","15.8569","0.0006","20.497","0.0008","86.967","0.002","75.119","0.002","73.85","0.002","3317.8","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H67 B F15 N O2 Zr -","- C70 H67 B F15 N O2 Zr -","- C140 H134 B2 F30 N2 O4 Zr2 -","2","1","","Gowda, Ravikumar R.; Chen, Eugene Y.-X.","Chiral and achiral (imino)phenoxy-based cationic group 4 non-metallocene complexes as catalysts for polymerization of renewable α-methylene-γ-butyrolactones.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9263","9273","10.1039/c3dt50430a","","","0.71073","MoKα","","0.0854","0.058","","","0.1282","0.1368","","","","","","1.056","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022969","11.026","0.0004","15.5861","0.0006","20.5604","0.0008","84.504","0.002","74.448","0.002","73.522","0.002","3263.4","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H74 B F15 N O2 Ti -","- C73 H74 B F15 N O2 Ti -","- C146 H148 B2 F30 N2 O4 Ti2 -","2","1","","Gowda, Ravikumar R.; Chen, Eugene Y.-X.","Chiral and achiral (imino)phenoxy-based cationic group 4 non-metallocene complexes as catalysts for polymerization of renewable α-methylene-γ-butyrolactones.","Dalton transactions (Cambridge, England : 2003)","2013","42","25","9263","9273","10.1039/c3dt50430a","","","0.71073","MoKα","","0.0762","0.043","","","0.0882","0.1047","","","","","","1.026","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022970","15.5343","0.0008","20.3729","0.0011","19.5681","0.0011","90","","92.69","0.0007","90","","6186.1","0.6","173","2","173","2","","","","","","","","9","C 1 2 1","C 2y","5","","","","- C42 H105 B F4 N3 O3 P5 Re6 Se8 -","- C30 H75 B F4 N3 P5 Re6 Se8 -","- C120 H300 B4 F16 N12 P20 Re24 Se32 -","4","1","","Knott, Stanley A.; Templeton, Jeffrey N.; Durham, Jessica L.; Howard, Angela M.; McDonald, Robert; Szczepura, Lisa F.","Azide alkyne cycloaddition facilitated by hexanuclear rhenium chalcogenide cluster complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8132","8139","10.1039/c3dt50436k","","","0.71073","MoKα","","0.0338","0.0284","","","0.0736","0.0758","","","","","","1.088","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022971","12.0855","0.0006","12.1341","0.0006","22.7645","0.0011","98.7794","0.0006","101.855","0.0005","103.667","0.0006","3102.8","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C36 H81 B F4 N3 O4 P5 Re6 Se8 -","- C36 H81 B F4 N3 O4 P5 Re6 Se8 -","- C72 H162 B2 F8 N6 O8 P10 Re12 Se16 -","2","1","","Knott, Stanley A.; Templeton, Jeffrey N.; Durham, Jessica L.; Howard, Angela M.; McDonald, Robert; Szczepura, Lisa F.","Azide alkyne cycloaddition facilitated by hexanuclear rhenium chalcogenide cluster complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8132","8139","10.1039/c3dt50436k","","","0.71073","MoKα","","0.0412","0.0285","","","0.0723","0.0776","","","","","","1.031","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022972","11.2984","0.0006","20.7624","0.0012","23.0471","0.0013","90","","103.142","0.0007","90","","5264.8","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25.5 H63 Cl3 N6 P4 Re6 Se8 -","- C24 H60 N6 P4 Re6 Se8 -","- C96 H240 N24 P16 Re24 Se32 -","4","1","","Knott, Stanley A.; Templeton, Jeffrey N.; Durham, Jessica L.; Howard, Angela M.; McDonald, Robert; Szczepura, Lisa F.","Azide alkyne cycloaddition facilitated by hexanuclear rhenium chalcogenide cluster complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8132","8139","10.1039/c3dt50436k","","","0.71073","MoKα","","0.0489","0.0362","","","0.0776","0.081","","","","","","1.066","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022973","7.79","0.003","13.294","0.005","13.442","0.005","81.618","0.004","87.58","0.004","86.48","0.004","1373.8","0.9","99","2","99","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Cl N4 Pt Si2 -","- C28 H33 Cl N4 Pt Si2 -","- C56 H66 Cl2 N8 Pt2 Si4 -","2","1","","Huckaba, Aron J.; Cao, Bei; Hollis, T. Keith; Valle, Henry U.; Kelly, John T.; Hammer, Nathan I.; Oliver, Allen G.; Webster, Charles Edwin","Platinum CCC-NHC benzimidazolyl pincer complexes: synthesis, characterization, photostability, and theoretical investigation of a blue-green emitter.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8820","8826","10.1039/c3dt50438g","","","0.71073","MoKα","","0.0286","0.0268","","","0.0674","0.0693","","","","","","1.049","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022974","14.9471","0.0008","10.5506","0.0006","16.8312","0.001","90","","95.793","0.001","90","","2640.7","0.3","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Br Cl N2 O7 Rh -","- C24 H27 Br Cl N2 O7 Rh -","- C96 H108 Br4 Cl4 N8 O28 Rh4 -","4","1","","Wang, Wan-Hui; Suna, Yuki; Himeda, Yuichiro; Muckerman, James T.; Fujita, Etsuko","Functionalized cyclopentadienyl rhodium(III) bipyridine complexes: synthesis, characterization, and catalytic application in hydrogenation of ketones.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9628","9636","10.1039/c3dt50445j","","","0.71073","MoKα","","0.0676","0.0369","","0.0583","0.0429","0.0429","","","","","","1.0887","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022975","17.8607","0.0017","7.3757","0.0007","18.9368","0.0018","90","","92.073","0.002","90","","2493","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 Fe N O S -","- C13 H15 Fe N O S -","- C104 H120 Fe8 N8 O8 S8 -","8","1","","Corona-Sánchez, Ricardo; Toscano, Rubén A; Ortega-Alfaro, M Carmen; Sandoval-Chávez, César; López-Cortés, José G","2-Ferrocenyl-2-thiazoline as a building block of novel phosphine-free ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11992","12004","10.1039/c3dt50451d","","","0.71073","MoKα","","0.0345","0.0294","","","0.0685","0.0707","","","","","","1.058","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022976","12.1372","0.001","14.8178","0.0012","19.7325","0.0016","90","","105.843","0.001","90","","3414","0.5","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 Cl5 Fe N P Pd S -","- C32 H29 Cl5 Fe N P Pd S -","- C128 H116 Cl20 Fe4 N4 P4 Pd4 S4 -","4","1","","Corona-Sánchez, Ricardo; Toscano, Rubén A; Ortega-Alfaro, M Carmen; Sandoval-Chávez, César; López-Cortés, José G","2-Ferrocenyl-2-thiazoline as a building block of novel phosphine-free ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11992","12004","10.1039/c3dt50451d","","","0.71073","MoKα","","0.0329","0.0281","","","0.0698","0.0727","","","","","","1.035","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022977","7.3639","0.0014","9.2452","0.0017","25.189","0.005","90","","91.759","0.003","90","","1714.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Fe N S2 -","- C19 H17 Fe N S2 -","- C76 H68 Fe4 N4 S8 -","4","1","","Corona-Sánchez, Ricardo; Toscano, Rubén A; Ortega-Alfaro, M Carmen; Sandoval-Chávez, César; López-Cortés, José G","2-Ferrocenyl-2-thiazoline as a building block of novel phosphine-free ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11992","12004","10.1039/c3dt50451d","","","0.71073","MoKα","","0.0621","0.0432","","","0.1009","0.1105","","","","","","1.021","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022978","9.5896","0.0007","13.685","0.001","16.626","0.0012","90","","104.265","0.001","90","","2114.6","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl5 Fe N Pd S2 -","- C15 H16 Cl5 Fe N Pd S2 -","- C60 H64 Cl20 Fe4 N4 Pd4 S8 -","4","1","","Corona-Sánchez, Ricardo; Toscano, Rubén A; Ortega-Alfaro, M Carmen; Sandoval-Chávez, César; López-Cortés, José G","2-Ferrocenyl-2-thiazoline as a building block of novel phosphine-free ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11992","12004","10.1039/c3dt50451d","","","0.71073","MoKα","","0.031","0.027","","","0.0629","0.065","","","","","","1.073","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022979","16.558","0.005","8.011","0.002","12.175","0.004","90","","96.932","0.004","90","","1603.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Fe N S -","- C16 H23 Fe N S -","- C64 H92 Fe4 N4 S4 -","4","1","","Corona-Sánchez, Ricardo; Toscano, Rubén A; Ortega-Alfaro, M Carmen; Sandoval-Chávez, César; López-Cortés, José G","2-Ferrocenyl-2-thiazoline as a building block of novel phosphine-free ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11992","12004","10.1039/c3dt50451d","","","0.71073","MoKα","","0.0534","0.0475","","","0.1284","0.1326","","","","","","1.059","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022980","15.389","0.003","15.434","0.003","18.241","0.003","103.278","0.003","110.883","0.003","94.123","0.003","3882.9","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H55 Dy3 N8 O47 Sr3 -","- C56 H43 Dy3 N8 O41 Sr3 -","- C112 H86 Dy6 N16 O82 Sr6 -","2","1","","Chen, Yanmei; Cao, Yanyuan; Chen, Wenqian; Gao, Qian; Li, Lei; Gao, Dandan; Liu, Wei; Li, Yahong; Li, Wu","Seven novel Sr(II)-Sm(III) and Sr(II)-Dy(III) coordination polymers: construction of five classes of structural topologies using different amounts of imidazole.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","10011","10018","10.1039/c3dt50453k","","","0.71073","MoKα","","0.1408","0.0851","","","0.1816","0.2099","","","","","","1.115","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022981","15.919","0.005","9.932","0.003","20.674","0.006","90","","107.3","0.006","90","","3120.8","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N5 O18 Sm Sr -","- C24 H26 N5 O18 Sm Sr -","- C96 H104 N20 O72 Sm4 Sr4 -","4","1","","Chen, Yanmei; Cao, Yanyuan; Chen, Wenqian; Gao, Qian; Li, Lei; Gao, Dandan; Liu, Wei; Li, Yahong; Li, Wu","Seven novel Sr(II)-Sm(III) and Sr(II)-Dy(III) coordination polymers: construction of five classes of structural topologies using different amounts of imidazole.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","10011","10018","10.1039/c3dt50453k","","","0.71073","MoKα","","0.0897","0.0606","","","0.1498","0.1688","","","","","","1.049","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022982","15.8039","0.0007","9.8971","0.0004","20.4911","0.0009","90","","107.006","0.001","90","","3064.9","0.2","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Dy N5 O18 Sr -","- C24 H26 Dy N5 O18 Sr -","- C96 H104 Dy4 N20 O72 Sr4 -","4","1","","Chen, Yanmei; Cao, Yanyuan; Chen, Wenqian; Gao, Qian; Li, Lei; Gao, Dandan; Liu, Wei; Li, Yahong; Li, Wu","Seven novel Sr(II)-Sm(III) and Sr(II)-Dy(III) coordination polymers: construction of five classes of structural topologies using different amounts of imidazole.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","10011","10018","10.1039/c3dt50453k","","","0.71073","MoKα","","0.0279","0.0211","","","0.0489","0.0515","","","","","","1.019","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022983","10.394","0.002","11.066","0.002","30.409","0.006","88.42","0.03","87.81","0.03","79.04","0.03","3430.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H62 N14 O34 Sm2 Sr -","- C56 H62 N14 O34 Sm2 Sr -","- C112 H124 N28 O68 Sm4 Sr2 -","2","1","","Chen, Yanmei; Cao, Yanyuan; Chen, Wenqian; Gao, Qian; Li, Lei; Gao, Dandan; Liu, Wei; Li, Yahong; Li, Wu","Seven novel Sr(II)-Sm(III) and Sr(II)-Dy(III) coordination polymers: construction of five classes of structural topologies using different amounts of imidazole.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","10011","10018","10.1039/c3dt50453k","","","0.71073","MoKα","","0.0358","0.0286","","","0.0697","0.073","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7022984","10.394","0.002","11.066","0.002","30.409","0.006","88.42","0.03","87.81","0.03","79.04","0.03","3430.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H64 Dy2 N14 O35 Sr -","- C56 H64 Dy2 N14 O35 Sr -","- C112 H128 Dy4 N28 O70 Sr2 -","2","1","","Chen, Yanmei; Cao, Yanyuan; Chen, Wenqian; Gao, Qian; Li, Lei; Gao, Dandan; Liu, Wei; Li, Yahong; Li, Wu","Seven novel Sr(II)-Sm(III) and Sr(II)-Dy(III) coordination polymers: construction of five classes of structural topologies using different amounts of imidazole.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","10011","10018","10.1039/c3dt50453k","","","0.71073","MoKα","","0.0536","0.0363","","","0.0791","0.0861","","","","","","1.019","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022985","11.063","0.0003","15.419","0.0004","15.595","0.0004","111.54","0.0013","101.42","0.0013","96.86","0.0014","2370.96","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H37 N5 O31 Sm2 Sr2 -","- C35 H35 N5 O31 Sm2 Sr2 -","- C70 H70 N10 O62 Sm4 Sr4 -","2","1","","Chen, Yanmei; Cao, Yanyuan; Chen, Wenqian; Gao, Qian; Li, Lei; Gao, Dandan; Liu, Wei; Li, Yahong; Li, Wu","Seven novel Sr(II)-Sm(III) and Sr(II)-Dy(III) coordination polymers: construction of five classes of structural topologies using different amounts of imidazole.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","10011","10018","10.1039/c3dt50453k","","","0.71073","MoKα","","0.0323","0.029","","","0.0716","0.0731","","","","","","1.061","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022986","9.992","0.003","10.253","0.003","16.044","0.004","81.491","0.004","71.916","0.004","88.873","0.005","1544.7","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Dy N5 O19 Sr -","- C24 H24 Dy N5 O19 Sr -","- C48 H48 Dy2 N10 O38 Sr2 -","2","1","","Chen, Yanmei; Cao, Yanyuan; Chen, Wenqian; Gao, Qian; Li, Lei; Gao, Dandan; Liu, Wei; Li, Yahong; Li, Wu","Seven novel Sr(II)-Sm(III) and Sr(II)-Dy(III) coordination polymers: construction of five classes of structural topologies using different amounts of imidazole.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","10011","10018","10.1039/c3dt50453k","","","0.71073","MoKα","","0.0592","0.0542","","","0.1365","0.139","","","","","","1.158","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022987","10.229","0.005","10.434","0.005","11.925","0.006","106.197","0.007","91.715","0.006","106.354","0.007","1164.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cu2 N14 O5 -","- C16 H18 Cu2 N14 O5 -","- C32 H36 Cu4 N28 O10 -","2","1","","Wang, Kun; Yi, Xiu-Chun; Wang, Xuan; Li, Xiu-Bing; Gao, En-Qing","Structures and magnetic properties of copper(II) and manganese(II) polymers derived from pseudohalides and a flexible zwitterionic dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8748","8760","10.1039/c3dt50460c","","","0.71073","MoKα","","0.0723","0.0573","","","0.1486","0.1621","","","","","","1.002","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022988","15.258","0.006","21.333","0.008","29.267","0.011","90","","90","","90","","9526","6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32.5 H41 Cl3.5 Mn2 N5.5 O26 -","- C32.5 H32 Cl3.5 Mn2 N5.5 O26 -","- C260 H256 Cl28 Mn16 N44 O208 -","8","2","","Wang, Kun; Yi, Xiu-Chun; Wang, Xuan; Li, Xiu-Bing; Gao, En-Qing","Structures and magnetic properties of copper(II) and manganese(II) polymers derived from pseudohalides and a flexible zwitterionic dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8748","8760","10.1039/c3dt50460c","","","0.71073","MoKα","","0.0832","0.0628","","","0.1662","0.18","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7022989","9.353","0.004","17.977","0.008","7.836","0.004","90","","100.848","0.005","90","","1294","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Mn2.5 N17 O6 -","- C16 H20 Mn2.5 N17 O6 -","- C32 H40 Mn5 N34 O12 -","2","0.5","","Wang, Kun; Yi, Xiu-Chun; Wang, Xuan; Li, Xiu-Bing; Gao, En-Qing","Structures and magnetic properties of copper(II) and manganese(II) polymers derived from pseudohalides and a flexible zwitterionic dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8748","8760","10.1039/c3dt50460c","","","0.71073","MoKα","","0.0523","0.0434","","","0.1174","0.1242","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7022990","10.1109","0.0017","11.0032","0.0018","12.373","0.002","92.442","0.006","91.11","0.005","115.871","0.005","1236.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Mn2 N14 O5 -","- C16 H16 Mn2 N14 O5 -","- C32 H32 Mn4 N28 O10 -","2","1","","Wang, Kun; Yi, Xiu-Chun; Wang, Xuan; Li, Xiu-Bing; Gao, En-Qing","Structures and magnetic properties of copper(II) and manganese(II) polymers derived from pseudohalides and a flexible zwitterionic dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8748","8760","10.1039/c3dt50460c","","","0.71073","MoKα","","0.0818","0.0507","","","0.1168","0.1361","","","","","","1.054","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022991","21.682","0.003","10.8253","0.0011","12.0065","0.0012","90","","121.662","0.004","90","","2398.6","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Mn2 N6 O9 -","- C20 H16 Mn2 N6 O9 -","- C80 H64 Mn8 N24 O36 -","4","0.5","","Wang, Kun; Yi, Xiu-Chun; Wang, Xuan; Li, Xiu-Bing; Gao, En-Qing","Structures and magnetic properties of copper(II) and manganese(II) polymers derived from pseudohalides and a flexible zwitterionic dicarboxylate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8748","8760","10.1039/c3dt50460c","","","0.71073","MoKα","","0.034","0.0302","","","0.0819","0.0868","","","","","","1.061","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022992","13.5596","0.001","13.773","0.0011","15.3803","0.0012","112.901","0.006","94.918","0.006","112.31","0.006","2354.3","0.4","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-dimethanido - tris(triisopropylphosphine)-tricopper(+1)-gallium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-dimethanido -tris(triisopropylphosphine)-tricopper(+1)-gallium(+3)","","- C33 H77 Cu3 Ga P3 S4 -","- C33 H77 Cu3 Ga P3 S4 -","- C66 H154 Cu6 Ga2 P6 S8 -","2","1","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0488","0.0274","","","0.05","0.0536","","","","","","0.861","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022993","13.5627","0.0011","13.9556","0.0011","16.0504","0.0014","64.19","0.006","68.597","0.007","66.96","0.006","2446.4","0.4","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-diethanido - tris(triisopropylphosphine)-tricopper(+1)-gallium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-diethanido -tris(triisopropylphosphine)-tricopper(+1)-gallium(+3)","","- C35 H81 Cu3 Ga P3 S4 -","- C35 H81 Cu3 Ga P3 S4 -","- C70 H162 Cu6 Ga2 P6 S8 -","2","1","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.058","0.0344","","","0.0706","0.0745","","","","","","0.94","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022994","13.6195","0.0014","14.407","0.0015","16.1191","0.0016","63.741","0.007","68.366","0.008","68.5","0.008","2557","0.5","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-di(propan-2-ido) - tris(triisopropylphosphine)-tricopper(+1)-gallium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-di(propan-2-ido) -tris(triisopropylphosphine)-tricopper(+1)-gallium(+3)","","- C37 H85 Cu3 Ga P3 S4 -","- C37 H85 Cu3 Ga P3 S4 -","- C74 H170 Cu6 Ga2 P6 S8 -","2","1","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0791","0.0363","","","0.0529","0.059","","","","","","0.825","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022995","15.7297","0.0007","26.1766","0.0018","25.2306","0.0013","90","","90","","90","","10388.7","1","213","2","213","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-di(butan-1-ido) - tris(triisopropylphosphine)-tricopper(+1)-gallium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-di(butan-1-ido) -tris(triisopropylphosphine)-tricopper(+1)-gallium(+3)","","- C39 H89 Cu3 Ga P3 S4 -","- C39 H89 Cu3 Ga P3 S4 -","- C312 H712 Cu24 Ga8 P24 S32 -","8","1","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0548","0.0336","","","0.0692","0.0735","","","","","","0.872","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022996","13.7124","0.0011","13.824","0.0011","15.3399","0.0013","112.603","0.006","94.946","0.006","112.568","0.006","2383.9","0.4","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-dimethanido - tris(triisopropylphosphine)-tricopper(+1)-indium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-dimethanido -tris(triisopropylphosphine)-tricopper(+1)-indium(+3)","","- C33 H77 Cu3 In P3 S4 -","- C33 H77 Cu3 In P3 S4 -","- C66 H154 Cu6 In2 P6 S8 -","2","1","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0451","0.0257","","","0.0454","0.0474","","","","","","0.792","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022997","14.017","0.002","16.647","0.002","21.653","0.003","97.771","0.012","95.5","0.012","96.334","0.012","4944","1.2","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-diethanido - tris(triisopropylphosphine)-tricopper(+1)-indium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-diethanido -tris(triisopropylphosphine)-tricopper(+1)-indium(+3)","","- C35 H81 Cu3 In P3 S4 -","- C35 H81 Cu3 In P3 S4 -","- C140 H324 Cu12 In4 P12 S16 -","4","2","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0675","0.0315","","","0.0489","0.0542","","","","","","0.782","","","","has coordinates","179934","2020-10-21","18:00:00",""
"7022998","13.6293","0.0011","14.5947","0.0012","16.0344","0.0013","63.753","0.006","69.277","0.006","68.494","0.006","2590.3","0.4","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-di(propan-2-ido) - tris(triisopropylphosphine)-tricopper(+1)-indium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-di(propan-2-ido) -tris(triisopropylphosphine)-tricopper(+1)-indium(+3)","","- C37 H85 Cu3 In P3 S4 -","- C37 H85 Cu3 In P3 S4 -","- C74 H170 Cu6 In2 P6 S8 -","2","1","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0623","0.0322","","","0.0532","0.0573","","","","","","0.886","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7022999","15.7369","0.0007","26.3293","0.0013","25.2791","0.0014","90","","90","","90","","10474.2","0.9","213","2","213","2","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-di(butan-1-ido) - tris(triisopropylphosphine)-copper(+1)-indium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-di(butan-1-ido) -tris(triisopropylphosphine)-copper(+1)-indium(+3)","","- C39 H89 Cu3 In P3 S4 -","- C39 H89 Cu3 In P3 S4 -","- C312 H712 Cu24 In8 P24 S32 -","8","1","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0611","0.0352","","","0.0689","0.0737","","","","","","0.853","","","","has coordinates,has disorder","179934","2020-10-21","18:00:00",""
"7023000","10.9836","0.0007","15.158","0.0007","13.1324","0.0008","90","","107.2","0.005","90","","2088.6","0.2","110","2","110","2","","","","","","","synthesis as described","6","P 1 21 1","P 2yb","4","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-tetraethanido - bis(triisopropylphosphine)-dicopper(+1)-digallium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetraethanido -bis(triisopropylphosphine)-dicopper(+1)-digallium(+3)","","- C30 H70 Cu2 Ga2 P2 S4 -","- C30 H70 Cu2 Ga2 P2 S4 -","- C60 H140 Cu4 Ga4 P4 S8 -","2","1","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0268","0.023","","","0.0494","0.0502","","","","","","0.974","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023001","8.4082","0.0009","11.7713","0.0012","13.4698","0.0015","65.472","0.008","72.916","0.009","86.325","0.009","1156.8","0.2","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-tetra(propan-2-ido) -bis(triisopropylphosphine)-dicopper(+1)-digallium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetra(propan-2-ido) -bis(triisopropylphosphine)-dicopper(+1)-digallium(+3)","","- C34 H78 Cu2 Ga2 P2 S4 -","- C34 H78 Cu2 Ga2 P2 S4 -","- C34 H78 Cu2 Ga2 P2 S4 -","1","0.5","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0536","0.0313","","","0.064","0.068","","","","","","0.839","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023002","11.893","0.0007","23.8556","0.001","15.1497","0.0009","90","","113.804","0.004","90","","3932.6","0.4","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-tetramethanido - bis(triisopropylphosphine)-dicopper(+1)-diindium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetramethanido -bis(triisopropylphosphine)-dicopper(+1)-diindium(+3)","","- C26 H62 Cu2 In2 P2 S4 -","- C26 H62 Cu2 In2 P2 S4 -","- C104 H248 Cu8 In8 P8 S16 -","4","1","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0402","0.0317","","","0.0774","0.0799","","","","","","1.033","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023003","11.0923","0.0008","15.2034","0.0007","13.3064","0.0009","90","","107.628","0.005","90","","2138.6","0.2","110","2","110","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-tetraethanido - bis(triisopropylphosphine)-dicopper(+1)-diindium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetraethanido -bis(triisopropylphosphine)-dicopper(+1)-diindium(+3)","","- C30 H70 Cu2 In2 P2 S4 -","- C30 H70 Cu2 In2 P2 S4 -","- C60 H140 Cu4 In4 P4 S8 -","2","0.5","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0251","0.0188","","","0.0382","0.0393","","","","","","0.98","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023004","8.2512","0.0007","11.8219","0.0011","13.1077","0.0013","71.231","0.007","79.528","0.007","83.635","0.007","1188.5","0.2","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-tetra(propan-2-ido) -bis(triisopropylphosphine)-dicopper(+1)-diindium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetra(propan-2-ido) -bis(triisopropylphosphine)-dicopper(+1)-diindium(+3)","","- C34 H78 Cu2 In2 P2 S4 -","- C34 H78 Cu2 In2 P2 S4 -","- C34 H78 Cu2 In2 P2 S4 -","1","0.5","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0278","0.0223","","","0.0531","0.0555","","","","","","1.075","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023005","10.988","0.005","11.495","0.005","11.649","0.005","118.253","0.005","98.99","0.005","90.37","0.005","1274.7","1","213","2","213","2","","","","","","","synthesis as described","6","P -1","-P 1","2","bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-tetra(butan-1-ido) - bis(triisopropylphosphine)-dicopper(+1)-diindium(+3)","bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-tetra(butan-1-ido) -bis(triisopropylphosphine)-dicopper(+1)-diindium(+3)","","- C38 H86 Cu2 In2 P2 S4 -","- C38 H86 Cu2 In2 P2 S4 -","- C38 H86 Cu2 In2 P2 S4 -","1","0.5","","Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald","Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In).","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9613","9620","10.1039/c3dt50461a","","","0.71073","MoKα","","0.0539","0.0478","","","0.1195","0.1227","","","","","","1.027","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023006","20.196","0.008","7.0193","0.0016","13.309","0.006","90","","106.79","0.03","90","","1806.3","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N4 O4 -","- C22 H14 N4 O4 -","- C88 H56 N16 O16 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Martin, Colin J.; Wright, Iain A.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegas, Antonio","Solution, structural and photophysical aspects of substituent effects in the N^N ligand in [Ir(C^N)2(N^N)]+ complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8086","8103","10.1039/c3dt50492a","","","0.71073","MoKα","","0.126","0.1076","","","0.3112","0.3266","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023007","13.0887","0.0007","17.9889","0.0008","10.9843","0.0008","90","","108.615","0.003","90","","2451","0.3","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O6 -","- C28 H28 N2 O6 -","- C112 H112 N8 O24 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Martin, Colin J.; Wright, Iain A.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegas, Antonio","Solution, structural and photophysical aspects of substituent effects in the N^N ligand in [Ir(C^N)2(N^N)]+ complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8086","8103","10.1039/c3dt50492a","","","0.71073","MoKα","","0.0842","0.0397","","0.0879","0.0398","0.0398","","","","","","1.1104","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023008","10.5992","0.0002","11.0302","0.0002","12.2247","0.0003","96.339","0.001","108.938","0.001","108.685","0.001","1243.4","0.05","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O6 -","- C28 H28 N2 O6 -","- C56 H56 N4 O12 -","2","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Martin, Colin J.; Wright, Iain A.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegas, Antonio","Solution, structural and photophysical aspects of substituent effects in the N^N ligand in [Ir(C^N)2(N^N)]+ complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8086","8103","10.1039/c3dt50492a","","","0.71073","MoKα","","0.0539","0.0446","","0.0766","0.0496","0.0459","","","","","","1.0538","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023009","16.4951","0.0012","13.0662","0.0011","16.4258","0.0011","90","","113.986","0.005","90","","3234.5","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H64 F12 Ir2 N8 O5 P2 -","- C65 H60 F12 Ir2 N8 O5 P2 -","- C130 H120 F24 Ir4 N16 O10 P4 -","2","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Martin, Colin J.; Wright, Iain A.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegas, Antonio","Solution, structural and photophysical aspects of substituent effects in the N^N ligand in [Ir(C^N)2(N^N)]+ complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8086","8103","10.1039/c3dt50492a","","","0.71073","MoKα","","0.0387","0.0357","","","0.0896","0.0936","","","","","","1.161","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023010","20.941","0.004","20.129","0.004","16.916","0.003","90","","90","","90","","7130","2","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C81 H66 F12 Ir2 N10 P2 -","- C81 H66 F12 Ir2 N10 P2 -","- C324 H264 F48 Ir8 N40 P8 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Martin, Colin J.; Wright, Iain A.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegas, Antonio","Solution, structural and photophysical aspects of substituent effects in the N^N ligand in [Ir(C^N)2(N^N)]+ complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8086","8103","10.1039/c3dt50492a","","","0.71073","MoKα","","0.0484","0.0431","","","0.0828","0.0848","","","","","","1.239","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023011","12.5203","0.0008","18.8096","0.001","18.9682","0.0013","90","","95.328","0.005","90","","4447.7","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 F6 Ir N4 O6 P -","- C50 H44 F6 Ir N4 O6 P -","- C200 H176 F24 Ir4 N16 O24 P4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Martin, Colin J.; Wright, Iain A.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegas, Antonio","Solution, structural and photophysical aspects of substituent effects in the N^N ligand in [Ir(C^N)2(N^N)]+ complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8086","8103","10.1039/c3dt50492a","","","0.71073","MoKα","","0.0395","0.038","","","0.0937","0.0947","","","","","","1.095","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023012","9.776","0.003","14.684","0.005","17.409","0.005","74.15","0.02","76.01","0.02","72.54","0.02","2258.3","1.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C89 H66 Cl2 F12 Ir2 N12 O10 P2 -","- C89 H62 Cl2 F12 Ir2 N12 O10 P2 -","- C89 H62 Cl2 F12 Ir2 N12 O10 P2 -","1","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Martin, Colin J.; Wright, Iain A.; Zampese, Jennifer A.; Bolink, Henk J.; Pertegas, Antonio","Solution, structural and photophysical aspects of substituent effects in the N^N ligand in [Ir(C^N)2(N^N)]+ complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8086","8103","10.1039/c3dt50492a","","","0.71073","MoKα","","0.0733","0.0651","","","0.1641","0.1711","","","","","","1.081","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023013","6.5273","0.0001","7.2151","0.0001","16.4648","0.0003","97.988","0.002","90.106","0.002","96.513","0.002","762.81","0.02","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H28 F6 Fe N6 O6 P2 S2 -","- C22 H28 F6 Fe N6 O6 P2 S2 -","- C22 H28 F6 Fe N6 O6 P2 S2 -","1","0.5","","Choong, Sam L.; Nafady, Ayman; Stasch, Andreas; Bond, Alan M.; Jones, Cameron","The facile assembly of bis-, tris- and poly(triazaphosphole) systems using ""click"" chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7775","7780","10.1039/c3dt50505g","","","0.71073","MoKα","","0.0555","0.0389","","","0.0905","0.0977","","","","","","1.045","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023014","17.573","0.004","10.129","0.002","12.835","0.003","90","","93.64","0.03","90","","2280","0.9","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Fe N6 P2 -","- C20 H26 Fe N6 P2 -","- C80 H104 Fe4 N24 P8 -","4","1","","Choong, Sam L.; Nafady, Ayman; Stasch, Andreas; Bond, Alan M.; Jones, Cameron","The facile assembly of bis-, tris- and poly(triazaphosphole) systems using ""click"" chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7775","7780","10.1039/c3dt50505g","","","0.71073","MoKα","","0.0441","0.0313","","","0.072","0.0777","","","","","","1.054","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023015","9.184","0.0018","13.517","0.003","12.433","0.003","90","","91.27","0.03","90","","1543.1","0.6","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Fe N6 P2 -","- C14 H14 Fe N6 P2 -","- C56 H56 Fe4 N24 P8 -","4","1","","Choong, Sam L.; Nafady, Ayman; Stasch, Andreas; Bond, Alan M.; Jones, Cameron","The facile assembly of bis-, tris- and poly(triazaphosphole) systems using ""click"" chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7775","7780","10.1039/c3dt50505g","","","0.71073","MoKα","","0.0545","0.035","","","0.073","0.08","","","","","","1.044","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023016","11.828","0.008","6.521","0.004","15.217","0.01","90","","111.498","0.008","90","","1092","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Mn N8 O2 -","- C6 H8 Mn N8 O2 -","- C24 H32 Mn4 N32 O8 -","4","1","","Wang, Xuan; Li, Xiu-Bing; Yan, Ren-He; Wang, Yan-Qin; Gao, En-Qing","Diverse manganese(II) coordination polymers derived from achiral/chiral imidazolium-carboxylate zwitterions and azide: structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","10000","10010","10.1039/c3dt50510c","","","0.71073","MoKα","","0.0426","0.0324","","","0.0712","0.0765","","","","","","1.112","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023017","7.854","0.002","17.806","0.005","7.879","0.002","90","","113.267","0.003","90","","1012.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Mn N5 O4 -","- C7 H7 Mn N5 O4 -","- C28 H28 Mn4 N20 O16 -","4","0.5","","Wang, Xuan; Li, Xiu-Bing; Yan, Ren-He; Wang, Yan-Qin; Gao, En-Qing","Diverse manganese(II) coordination polymers derived from achiral/chiral imidazolium-carboxylate zwitterions and azide: structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","10000","10010","10.1039/c3dt50510c","","","0.71073","MoKα","","0.0368","0.0309","","","0.0655","0.0696","","","","","","1.089","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023018","16.3176","0.0008","7.6287","0.0004","10.7629","0.0005","90","","108.4","0.001","90","","1271.29","0.11","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C9.5 H13 Mn N5 O4.5 -","- C9.5 H11 Mn N5 O4.5 -","- C38 H44 Mn4 N20 O18 -","4","1","","Wang, Xuan; Li, Xiu-Bing; Yan, Ren-He; Wang, Yan-Qin; Gao, En-Qing","Diverse manganese(II) coordination polymers derived from achiral/chiral imidazolium-carboxylate zwitterions and azide: structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","10000","10010","10.1039/c3dt50510c","","","0.71073","MoKα","","0.0605","0.0579","","","0.1531","0.1564","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023019","9.243","0.004","18.103","0.008","9.337","0.004","90","","104.91","0.04","90","","1509.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Mn3 N16 O10 -","- C18 H26 Mn3 N16 O10 -","- C36 H52 Mn6 N32 O20 -","2","0.5","","Wang, Xuan; Li, Xiu-Bing; Yan, Ren-He; Wang, Yan-Qin; Gao, En-Qing","Diverse manganese(II) coordination polymers derived from achiral/chiral imidazolium-carboxylate zwitterions and azide: structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","10000","10010","10.1039/c3dt50510c","","","0.71073","MoKα","","0.0517","0.0471","","","0.1236","0.1269","","","","","","1.118","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023020","13.0658","0.0002","14.9486","0.0003","14.4262","0.001","90","","107.768","0.008","90","","2683.3","0.2","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26.62 H29.62 Br2 Cl0.77 N3.62 Zn -","- C26.616 H29.616 Br2 Cl0.768 N3.616 Zn -","- C106.464 H118.464 Br8 Cl3.072 N14.464 Zn4 -","4","1","","Luca, Oana R.; Konezny, Steven J.; Paulson, Eric K.; Habib, Fatemah; Luthy, Kurt M.; Murugesu, Muralee; Crabtree, Robert H.; Batista, Victor S.","Study of an S = 1 Ni(II) pincer electrocatalyst precursor for aqueous hydrogen production based on paramagnetic 1H NMR.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8802","8807","10.1039/c3dt50528f","","","1.54187","CuKα","","0.0504","0.0471","","","0.1263","0.1291","","","","","","1.087","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023021","12.6937","0.0007","21.032","0.0012","26.3364","0.0014","107.091","0.001","99.236","0.001","100.13","0.001","6445.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C218 H394 N4 O39 Sn18 -","- C218 H394 N4 O39 Sn18 -","- C218 H394 N4 O39 Sn18 -","1","0.5","","Xiao, Xiao; Shao, Kuizhan; Yan, Lisong; Mei, Zemin; Zhu, Dongsheng; Xu, Lin","A novel macrocyclic organotin carboxylate containing a nona-nuclear long ladder.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15387","15390","10.1039/c3dt50531f","","","0.71073","MoKα","","0.1164","0.0627","","","0.1374","0.1667","","","","","","1.013","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023022","9.887","0.005","12.748","0.004","15.965","0.005","100.459","0.004","95.864","0.019","102.289","0.019","1912.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H66 N12 O13 Zn2 -","- C88 H56 N12 O13 Zn2 -","- C88 H56 N12 O13 Zn2 -","1","0.5","","Gai, Yan-Li; Jiang, Fei-Long; Chen, Lian; Bu, Yang; Wu, Ming-Yan; Zhou, Kang; Pan, Jie; Hong, Mao-Chun","A series of novel zinc(II) entangled coordination polymers based on carboxyphenyl-terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9954","9965","10.1039/c3dt50532d","","","0.71073","MoKα","","0.0732","0.0588","","","0.1667","0.1802","","","","","","1.059","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023023","15.12","0.004","15.143","0.004","17.514","0.005","69.388","0.007","86.529","0.008","79.694","0.009","3692.8","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H57.75 N12 O8.88 Zn2 -","- C88 H56 N12 O8.88 Zn2 -","- C176 H112 N24 O17.76 Zn4 -","2","1","","Gai, Yan-Li; Jiang, Fei-Long; Chen, Lian; Bu, Yang; Wu, Ming-Yan; Zhou, Kang; Pan, Jie; Hong, Mao-Chun","A series of novel zinc(II) entangled coordination polymers based on carboxyphenyl-terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9954","9965","10.1039/c3dt50532d","","","0.71073","MoKα","","0.0955","0.0819","","","0.2196","0.2335","","","","","","1.052","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023024","11.5313","0.0003","16.9991","0.0006","13.9952","0.0005","90","","92.608","0.003","90","","2740.52","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H44 N6 O19 Zn2 -","- C62 H38 N6 O19 Zn2 -","- C124 H76 N12 O38 Zn4 -","2","0.5","","Gai, Yan-Li; Jiang, Fei-Long; Chen, Lian; Bu, Yang; Wu, Ming-Yan; Zhou, Kang; Pan, Jie; Hong, Mao-Chun","A series of novel zinc(II) entangled coordination polymers based on carboxyphenyl-terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9954","9965","10.1039/c3dt50532d","","","0.71073","MoKα","","0.0332","0.031","","","0.0801","0.0817","","","","","","1.052","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023025","17.242","0.019","7.32","0.007","21.883","0.017","90","","122.1","0.03","90","","2340","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H16.75 N3.25 O4 Zn -","- C26.5 H16.75 N3.25 O4 Zn -","- C106 H67 N13 O16 Zn4 -","4","1","","Gai, Yan-Li; Jiang, Fei-Long; Chen, Lian; Bu, Yang; Wu, Ming-Yan; Zhou, Kang; Pan, Jie; Hong, Mao-Chun","A series of novel zinc(II) entangled coordination polymers based on carboxyphenyl-terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9954","9965","10.1039/c3dt50532d","","","0.71073","MoKα","","0.1096","0.0786","","","0.204","0.2284","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023026","17.8687","0.0018","18.2","0.0014","12.7837","0.0013","90","","95.39","0.007","90","","4139","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H58 Cl4 N12 O9 Zn4 -","- C88 H56 Cl4 N12 O9 Zn4 -","- C176 H112 Cl8 N24 O18 Zn8 -","2","0.5","","Gai, Yan-Li; Jiang, Fei-Long; Chen, Lian; Bu, Yang; Wu, Ming-Yan; Zhou, Kang; Pan, Jie; Hong, Mao-Chun","A series of novel zinc(II) entangled coordination polymers based on carboxyphenyl-terpyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9954","9965","10.1039/c3dt50532d","","","0.71073","MoKα","","0.0697","0.0603","","","0.1658","0.1757","","","","","","1.055","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023027","17.775","0.005","18.252","0.005","19.813","0.005","113.34","0.005","97.276","0.005","107.712","0.005","5393","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C146 H214 Bi14 O60 P12 -","- C146 H214 Bi14 O60 P12 -","- C146 H214 Bi14 O60 P12 -","1","0.5","","Chandrasekhar, Vadapalli; Metre, Ramesh K.; Suriya Narayanan, Ramakirushnan","Lipophilic bismuth phosphates: a molecular tetradecanuclear cage and a 1D-coordination polymer. Synthesis, structure and conversion to BiPO4.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8709","8716","10.1039/c3dt50537e","","","0.71069","MoKα","","0.118","0.0729","","","0.1778","0.1996","","","","","","0.936","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023028","9","0.005","18.635","0.005","13.185","0.005","90","0.005","90.057","0.005","90","0.005","2211.3","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Bi O4 P -","- C20 H28 Bi O4 P -","- C80 H112 Bi4 O16 P4 -","4","1","","Chandrasekhar, Vadapalli; Metre, Ramesh K.; Suriya Narayanan, Ramakirushnan","Lipophilic bismuth phosphates: a molecular tetradecanuclear cage and a 1D-coordination polymer. Synthesis, structure and conversion to BiPO4.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8709","8716","10.1039/c3dt50537e","","","0.71069","MoKα","","0.0586","0.0476","","","0.1217","0.1427","","","","","","1.061","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023029","11.4787","0.0004","14.22","0.0006","12.4535","0.0004","90","","96.477","0.002","90","","2019.77","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 O6 P W -","- C19 H21 O6 P W -","- C76 H84 O24 P4 W4 -","4","1","","Albrecht, Carolin; Schneider, Eva; Engeser, Marianne; Schnakenburg, Gregor; Espinosa, Arturo; Streubel, Rainer","Synthesis and DFT calculations of spirooxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8897","8906","10.1039/c3dt50556a","","","0.71073","MoKα","","0.027","0.0227","","","0.0522","0.0536","","","","","","1.013","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023030","11.5967","0.0005","13.9514","0.0006","12.2801","0.0005","90","","97.174","0.003","90","","1971.25","0.14","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Cr O6 P -","- C19 H21 Cr O6 P -","- C76 H84 Cr4 O24 P4 -","4","1","","Albrecht, Carolin; Schneider, Eva; Engeser, Marianne; Schnakenburg, Gregor; Espinosa, Arturo; Streubel, Rainer","Synthesis and DFT calculations of spirooxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8897","8906","10.1039/c3dt50556a","","","0.71073","MoKα","","0.0436","0.0336","","","0.0903","0.0953","","","","","","1.018","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023031","11.4412","0.0003","14.28","0.0004","12.4894","0.0004","90","","96.323","0.002","90","","2028.11","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Mo O6 P -","- C19 H21 Mo O6 P -","- C76 H84 Mo4 O24 P4 -","4","1","","Albrecht, Carolin; Schneider, Eva; Engeser, Marianne; Schnakenburg, Gregor; Espinosa, Arturo; Streubel, Rainer","Synthesis and DFT calculations of spirooxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8897","8906","10.1039/c3dt50556a","","","0.71073","MoKα","","0.026","0.0207","","","0.0528","0.0539","","","","","","1.03","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023032","8.9261","0.0003","15.2902","0.0006","15.7122","0.0005","96.922","0.002","93.6438","0.0018","91.033","0.002","2123.78","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 O6 P W -","- C20 H23 O6 P W -","- C80 H92 O24 P4 W4 -","4","2","","Albrecht, Carolin; Schneider, Eva; Engeser, Marianne; Schnakenburg, Gregor; Espinosa, Arturo; Streubel, Rainer","Synthesis and DFT calculations of spirooxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8897","8906","10.1039/c3dt50556a","","","0.71073","MoKα","","0.0528","0.0362","","","0.0818","0.0868","","","","","","0.969","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023033","9.1477","0.0003","15.615","0.0005","15.7502","0.0005","92.816","0.002","94.137","0.002","95.524","0.002","2229.93","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 O6 P W -","- C21 H25 O6 P W -","- C84 H100 O24 P4 W4 -","4","2","","Albrecht, Carolin; Schneider, Eva; Engeser, Marianne; Schnakenburg, Gregor; Espinosa, Arturo; Streubel, Rainer","Synthesis and DFT calculations of spirooxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8897","8906","10.1039/c3dt50556a","","","0.71073","MoKα","","0.0446","0.0314","","","0.0727","0.0757","","","","","","0.988","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023034","12.0282","0.0009","13.9181","0.001","20.8583","0.0016","94.714","0.002","103.892","0.002","113.038","0.002","3058.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H72 Li2 O14 P2 W2 -","- C60 H72 Li2 O14 P2 W2 -","- C120 H144 Li4 O28 P4 W4 -","2","1","","Albrecht, Carolin; Schneider, Eva; Engeser, Marianne; Schnakenburg, Gregor; Espinosa, Arturo; Streubel, Rainer","Synthesis and DFT calculations of spirooxaphosphirane complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8897","8906","10.1039/c3dt50556a","","","0.71073","MoKα","","0.1","0.0583","","","0.1313","0.1485","","","","","","1.026","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023035","10.732","0.0004","18.8313","0.0007","22.5452","0.0008","70.428","0.002","83.211","0.002","81.95","0.002","4238.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 N4 O5 S4 -","- C48 H38 N4 O5 S4 -","- C192 H152 N16 O20 S16 -","4","2","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: p-H-thiacalix[4]arene pyridyl appended positional isomers as tectons for the formation of 1D and 2D mercury coordination networks.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9946","9953","10.1039/c3dt50577d","","","0.71073","MoKα","","0.1725","0.0597","","","0.1157","0.1499","","","","","","1","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023036","11.1018","0.0006","16.7176","0.0006","22.8556","0.0011","90","","94.19","0.002","90","","4230.6","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 N4 O4 S4 -","- C48 H36 N4 O4 S4 -","- C192 H144 N16 O16 S16 -","4","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: p-H-thiacalix[4]arene pyridyl appended positional isomers as tectons for the formation of 1D and 2D mercury coordination networks.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9946","9953","10.1039/c3dt50577d","","","0.71073","MoKα","","0.0738","0.0424","","","0.0983","0.1132","","","","","","1.024","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023037","23.3704","0.0005","12.3507","0.0003","16.9803","0.0007","90","","120.731","0.001","90","","4213","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 N4 O4 S4 -","- C48 H36 N4 O4 S4 -","- C192 H144 N16 O16 S16 -","4","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: p-H-thiacalix[4]arene pyridyl appended positional isomers as tectons for the formation of 1D and 2D mercury coordination networks.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9946","9953","10.1039/c3dt50577d","","","0.71073","MoKα","","0.0674","0.0411","","","0.0962","0.1084","","","","","","1.012","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023038","14.3514","0.0003","21.4182","0.0003","15.7934","0.0003","90","","90","","90","","4854.59","0.15","173","2","173","2","","","","","","","","7","C c c a :2","-C 2a 2ac","68","","","","- C24 H18 Cl2 Hg N2 O2 S2 -","- C24 H18 Cl2 Hg N2 O2 S2 -","- C192 H144 Cl16 Hg8 N16 O16 S16 -","8","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: p-H-thiacalix[4]arene pyridyl appended positional isomers as tectons for the formation of 1D and 2D mercury coordination networks.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9946","9953","10.1039/c3dt50577d","","","0.71073","MoKα","","0.0224","0.0163","","","0.0412","0.0439","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023039","10.0664","0.0002","10.3405","0.0002","28.7661","0.0006","88.89","0.001","81.284","0.001","67.868","0.001","2739.33","0.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C100 H84 Cl14 Hg4 N8 O11 S8 -","- C100 H82 Cl14 Hg4 N8 O11 S8 -","- C100 H82 Cl14 Hg4 N8 O11 S8 -","1","0.5","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: p-H-thiacalix[4]arene pyridyl appended positional isomers as tectons for the formation of 1D and 2D mercury coordination networks.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9946","9953","10.1039/c3dt50577d","","","0.71073","MoKα","","0.0473","0.0346","","","0.0837","0.0893","","","","","","1.045","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023040","13.4949","0.0003","13.5043","0.0004","18.1231","0.0005","70.11","0.001","83.531","0.001","72.918","0.001","2968.42","0.14","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C49.54 H37.54 Cl10.61 Hg3 N4 O4 S4 -","- C49.538 H37.538 Cl10.614 Hg3 N4 O4 S4 -","- C99.076 H75.076 Cl21.228 Hg6 N8 O8 S8 -","2","1","","Ovsyannikov, A.; Ferlay, S.; Solovieva, S. E.; Antipin, I. S.; Konovalov, A. I.; Kyritsakas, N.; Hosseini, M. W.","Molecular tectonics: p-H-thiacalix[4]arene pyridyl appended positional isomers as tectons for the formation of 1D and 2D mercury coordination networks.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9946","9953","10.1039/c3dt50577d","","","0.71073","MoKα","","0.0681","0.0384","","","0.0864","0.0968","","","","","","1.021","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023041","10.5697","0.0003","13.7043","0.0004","20.0249","0.0006","98.057","0.001","92.112","0.001","96.452","0.001","2849.71","0.14","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C39.59 H31.71 Bi Cl3 F9 N7.8 O12.05 S3 -","- C39.594 H31.711 Bi Cl3 F9 N7.797 O12.045 S3 -","- C79.188 H63.422 Bi2 Cl6 F18 N15.594 O24.09 S6 -","2","1","","Johnson, Amber M.; Young, Michael C.; Hooley, Richard J.","Reversible multicomponent self-assembly mediated by bismuth ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8394","8401","10.1039/c3dt50578b","","","0.71073","MoKα","","0.0328","0.0293","","","0.0774","0.0795","","","","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023042","11.766","0.002","12.377","0.003","18.213","0.004","78.16","0.03","88.37","0.03","70.29","0.03","2441.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Cl4 Eu F9 O15 -","- C41 H40 Cl4 Eu F9 O15 -","- C82 H80 Cl8 Eu2 F18 O30 -","2","1","","Li, Weizuo; Yan, Pengfei; Hou, Guangfeng; Li, Hongfeng; Li, Guangming","Efficient red emission from PMMA films doped with 5,6-DTFI europium(III) complexes: synthesis, structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11537","11547","10.1039/c3dt50580d","","","0.71073","MoKα","","0.0481","0.0406","","","0.1138","0.1213","","","","","","1.062","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023043","13.3246","0.0005","19.5674","0.0006","19.762","0.0005","90","","107.084","0.003","90","","4925.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H38 Eu F9 N2 O12 -","- C51 H38 Eu F9 N2 O12 -","- C204 H152 Eu4 F36 N8 O48 -","4","1","","Li, Weizuo; Yan, Pengfei; Hou, Guangfeng; Li, Hongfeng; Li, Guangming","Efficient red emission from PMMA films doped with 5,6-DTFI europium(III) complexes: synthesis, structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11537","11547","10.1039/c3dt50580d","","","0.71073","MoKα","","0.0807","0.0447","","","0.1031","0.122","","","","","","1.044","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023044","11.774","0.002","12.388","0.003","18.223","0.004","78.19","0.03","88.41","0.03","70.52","0.03","2450.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Cl4 F9 O15 Sm -","- C41 H40 Cl4 F9 O15 Sm -","- C82 H80 Cl8 F18 O30 Sm2 -","2","1","","Li, Weizuo; Yan, Pengfei; Hou, Guangfeng; Li, Hongfeng; Li, Guangming","Efficient red emission from PMMA films doped with 5,6-DTFI europium(III) complexes: synthesis, structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11537","11547","10.1039/c3dt50580d","","","0.71073","MoKα","","0.0489","0.04","","","0.1146","0.1271","","","","","","1.021","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023045","13.3432","0.0005","19.5487","0.0009","19.7565","0.0005","90","","107.068","0.003","90","","4926.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H38 F9 N2 O12 Sm -","- C51 H38 F9 N2 O12 Sm -","- C204 H152 F36 N8 O48 Sm4 -","4","1","","Li, Weizuo; Yan, Pengfei; Hou, Guangfeng; Li, Hongfeng; Li, Guangming","Efficient red emission from PMMA films doped with 5,6-DTFI europium(III) complexes: synthesis, structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11537","11547","10.1039/c3dt50580d","","","0.71073","MoKα","","0.0837","0.0457","","","0.1034","0.1226","","","","","","1.026","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023046","8.4438","0.0006","11.4961","0.0008","13.5973","0.0009","103.513","0.006","96.609","0.006","95.597","0.006","1264.21","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 F3 O4 -","- C13 H11 F3 O4 -","- C52 H44 F12 O16 -","4","2","","Li, Weizuo; Yan, Pengfei; Hou, Guangfeng; Li, Hongfeng; Li, Guangming","Efficient red emission from PMMA films doped with 5,6-DTFI europium(III) complexes: synthesis, structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11537","11547","10.1039/c3dt50580d","","","0.71073","MoKα","","0.0702","0.0458","","","0.1033","0.1194","","","","","","1.022","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023047","10.8055","0.0015","10.8055","0.0015","12.637","0.003","90","","90","","120","","1277.8","0.4","100","2","100","2","","","","","","","","6","P 31 1 2","P 31 2 (0 0 4)","151","","Poly[[(mu-pyrazine)copper(I)] perchlorate heptahydrate]","","- C8 H22 Cl Cu N4 O11 -","- C8 H8 Cu N4 -","- C24 H24 Cu3 N12 -","3","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Zamora, Félix","Cu(I), Co(II) and Fe(II) coordination polymers with pyrazine and benzoate as ligands. Spin crossover, spin canting and metamagnetism phenomena.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13453","13460","10.1039/c3dt50596k","","","0.71073","MoKα","","0.0993","0.0461","","","0.1026","0.111","","","","","","0.778","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023048","10.837","0.003","18.131","0.004","17.561","0.005","90","","104.301","0.018","90","","3343.6","1.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[tetrakis(mu-pyrazine-KN:KN')dicopper(I)] diperchlorate-benzoic acid-water (1/1/1)]","","- C53 H52 Cl4 Cu4 N16 O23 -","- C53 H52 Cl4 Cu4 N16 O23 -","- C106 H104 Cl8 Cu8 N32 O46 -","2","0.5","","Amo-Ochoa, Pilar; Castillo, Oscar; Zamora, Félix","Cu(I), Co(II) and Fe(II) coordination polymers with pyrazine and benzoate as ligands. Spin crossover, spin canting and metamagnetism phenomena.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13453","13460","10.1039/c3dt50596k","","","1.54178","CuKα","","0.0635","0.0479","","","0.1217","0.1347","","","","","","1.03","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023049","7.1207","0.0003","8.9131","0.0004","15.6874","0.0007","95.278","0.003","94.01","0.003","106.181","0.002","947.38","0.07","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-Poly[[bis(benzoato-K2O,O')bis(mu-benzoato-KO:KO')bis(mu-pyrazine-KN,KN') dicobalt(II)]-benzoic acid (1/1)]","","- C21.5 H17 Co N2 O5 -","- C21.5 H17 Co N2 O5 -","- C43 H34 Co2 N4 O10 -","2","1","","Amo-Ochoa, Pilar; Castillo, Oscar; Zamora, Félix","Cu(I), Co(II) and Fe(II) coordination polymers with pyrazine and benzoate as ligands. Spin crossover, spin canting and metamagnetism phenomena.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13453","13460","10.1039/c3dt50596k","","","1.54178","CuKα","","0.0732","0.0588","","","0.1476","0.158","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023050","7.1488","0.0004","9.0736","0.0008","15.7457","0.0013","95.506","0.007","93.239","0.006","107.37","0.007","966.37","0.14","296","2","296","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-Poly[[bis(benzoato-K2O,O')bis(mu-benzoato-KO:KO')bis(mu-pyrazine-KN,KN') dicobalt(II)]-benzoic acid (1/1)]","","- C21.5 H17 Co N2 O5 -","- C21.5 H17 Co N2 O5 -","- C43 H34 Co2 N4 O10 -","2","1","","Amo-Ochoa, Pilar; Castillo, Oscar; Zamora, Félix","Cu(I), Co(II) and Fe(II) coordination polymers with pyrazine and benzoate as ligands. Spin crossover, spin canting and metamagnetism phenomena.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13453","13460","10.1039/c3dt50596k","","","0.71073","MoKα","","0.0735","0.0559","","","0.1545","0.1619","","","","","","1.015","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023051","7.268","0.007","9.209","0.006","15.814","0.009","95.72","0.04","92.91","0.05","109.02","0.05","991.8","1.3","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","catena-Poly[[bis(benzoato-K2O,O')bis(mu-benzoato-KO:KO')bis(mu-pyrazine-KN,KN') diiron(II)]-benzoic acid (1/1)]","","- C21.5 H17 Fe N2 O5 -","- C21.5 H17 Fe N2 O5 -","- C43 H34 Fe2 N4 O10 -","2","1","","Amo-Ochoa, Pilar; Castillo, Oscar; Zamora, Félix","Cu(I), Co(II) and Fe(II) coordination polymers with pyrazine and benzoate as ligands. Spin crossover, spin canting and metamagnetism phenomena.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13453","13460","10.1039/c3dt50596k","","","0.71073","MoKα","","0.2462","0.0598","","","0.0872","0.1223","","","","","","0.951","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023052","10.9153","0.0004","11.3329","0.0004","21.3969","0.0007","90","","103.586","0.002","90","","2572.78","0.16","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 F3 N2 O7 Re S -","- C23 H24 F3 N2 O7 Re S -","- C92 H96 F12 N8 O28 Re4 S4 -","4","1","","Grice, Kyle A.; Gu, Nina X.; Sampson, Matthew D.; Kubiak, Clifford P.","Carbon monoxide release catalysed by electron transfer: electrochemical and spectroscopic investigations of [Re(bpy-R)(CO)4](OTf) complexes relevant to CO2 reduction.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8498","8503","10.1039/c3dt50612f","","","0.71073","MoKα","","0.0305","0.0221","","","0.0515","0.0559","","","","","","1.061","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023053","8.646","0.0002","8.9974","0.0003","12.8915","0.0005","90","","90","","90","","1002.85","0.06","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Dr P. G. Taylor","","- C8 H14 F N O2 Si -","- C8 H14 F N O2 Si -","- C32 H56 F4 N4 O8 Si4 -","4","1","","Sohail, M.; Panisch, R.; Bowden, A.; Bassindale, A. R.; Taylor, P. G.; Korlyukov, A. A.; Arkhipov, D. E.; Male, L.; Callear, S.; Coles, S. J.; Hursthouse, M. B.; Harrington, R. W.; Clegg, W.","Pentacoordinate silicon complexes with dynamic motion resembling a pendulum on the S(N)2 reaction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10971","10981","10.1039/c3dt50613d","","","0.71073","MoKα","","0.053","0.0414","","","0.086","0.0944","","","","","","1.112","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023054","8.3636","0.0002","8.8564","0.0004","18.6451","0.0008","91.671","0.002","94.616","0.003","93.374","0.003","1373.41","0.09","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H14 F3 N O5 S Si -","- C9 H14 F3 N O5 S Si -","- C36 H56 F12 N4 O20 S4 Si4 -","4","2","","Sohail, M.; Panisch, R.; Bowden, A.; Bassindale, A. R.; Taylor, P. G.; Korlyukov, A. A.; Arkhipov, D. E.; Male, L.; Callear, S.; Coles, S. J.; Hursthouse, M. B.; Harrington, R. W.; Clegg, W.","Pentacoordinate silicon complexes with dynamic motion resembling a pendulum on the S(N)2 reaction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10971","10981","10.1039/c3dt50613d","","","0.71073","MoKα","","0.1394","0.087","","","0.1601","0.1868","","","","","","1.117","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023055","8.4342","0.0003","7.2543","0.0002","9.661","0.0003","90","","103.079","0.002","90","","575.77","0.03","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H14 I N O2 Si -","- C8 H14 I N O2 Si -","- C16 H28 I2 N2 O4 Si2 -","2","1","","Sohail, M.; Panisch, R.; Bowden, A.; Bassindale, A. R.; Taylor, P. G.; Korlyukov, A. A.; Arkhipov, D. E.; Male, L.; Callear, S.; Coles, S. J.; Hursthouse, M. B.; Harrington, R. W.; Clegg, W.","Pentacoordinate silicon complexes with dynamic motion resembling a pendulum on the S(N)2 reaction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10971","10981","10.1039/c3dt50613d","","","0.71073","MoKα","","0.0271","0.0242","","","0.0481","0.0495","","","","","","1.03","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023056","12.7138","0.0004","7.4295","0.0003","9.7496","0.0004","90","","92.419","0.002","90","","920.1","0.06","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 F2 N O2 Si -","- C7 H11 F2 N O2 Si -","- C28 H44 F8 N4 O8 Si4 -","4","1","","Sohail, M.; Panisch, R.; Bowden, A.; Bassindale, A. R.; Taylor, P. G.; Korlyukov, A. A.; Arkhipov, D. E.; Male, L.; Callear, S.; Coles, S. J.; Hursthouse, M. B.; Harrington, R. W.; Clegg, W.","Pentacoordinate silicon complexes with dynamic motion resembling a pendulum on the S(N)2 reaction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10971","10981","10.1039/c3dt50613d","","","0.71073","MoKα","","0.0729","0.0556","","","0.1091","0.1189","","","","","","1.092","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023057","12.501","0.002","6.1661","0.001","13.596","0.002","90","","111.413","0.002","90","","975.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 N2 O5 Si2 -","- C16 H28 N2 O5 Si2 -","- C32 H56 N4 O10 Si4 -","2","0.5","","Sohail, M.; Panisch, R.; Bowden, A.; Bassindale, A. R.; Taylor, P. G.; Korlyukov, A. A.; Arkhipov, D. E.; Male, L.; Callear, S.; Coles, S. J.; Hursthouse, M. B.; Harrington, R. W.; Clegg, W.","Pentacoordinate silicon complexes with dynamic motion resembling a pendulum on the S(N)2 reaction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10971","10981","10.1039/c3dt50613d","","","0.6893","synchrotron","","0.0412","0.0317","","","0.079","0.0841","","","","","","1.048","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023058","11.1244","0.0006","9.2761","0.0005","7.9793","0.0004","90","","90","","90","","823.39","0.08","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C6 H8 F3 N O2 Si -","- C6 H8 F3 N O2 Si -","- C24 H32 F12 N4 O8 Si4 -","4","1","","Sohail, M.; Panisch, R.; Bowden, A.; Bassindale, A. R.; Taylor, P. G.; Korlyukov, A. A.; Arkhipov, D. E.; Male, L.; Callear, S.; Coles, S. J.; Hursthouse, M. B.; Harrington, R. W.; Clegg, W.","Pentacoordinate silicon complexes with dynamic motion resembling a pendulum on the S(N)2 reaction pathway.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10971","10981","10.1039/c3dt50613d","","","0.71073","MoKα","","0.0232","0.0226","","","0.0552","0.0556","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023059","12.0798","0.0005","20.9681","0.0008","23.1817","0.0011","90","","91.723","0.003","90","","5869","0.4","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Boron subphthalocyanine compound 3b","","","- C74 H40 B F5 N6 O15 -","- C74 H40 B F5 N6 O15 -","- C296 H160 B4 F20 N24 O60 -","4","1","","Kamino, Brett A.; Bender, Timothy P.","Modified boron subphthalocyanines with stable electrochemistry and tuneable bandgaps.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13145","13150","10.1039/c3dt50615k","","","1.54178","CuKα","","0.0696","0.0487","","","0.1333","0.143","","","","","","1.009","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023060","9.5648","0.0004","17.6316","0.0008","34.0701","0.0014","90","","96.526","0.002","90","","5708.4","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Boron subphthalocyanine compound 4a","","","- C60 H50 B Cl6 F5 N6 O5 -","- C60 H50 B Cl6 F5 N6 O5 -","- C240 H200 B4 Cl24 F20 N24 O20 -","4","1","","Kamino, Brett A.; Bender, Timothy P.","Modified boron subphthalocyanines with stable electrochemistry and tuneable bandgaps.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13145","13150","10.1039/c3dt50615k","","","1.54178","CuKα","","0.1043","0.0772","","","0.2137","0.237","","","","","","1.046","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023061","34.8747","0.0014","7.8393","0.0003","15.807","0.0006","90","","98.721","0.004","90","","4271.6","0.3","295","0.2","295","0.2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 Cl N2 O6 Re -","- C21 H16 Cl N2 O6 Re -","- C168 H128 Cl8 N16 O48 Re8 -","8","1","","Machura, Barbara; Wolff, Mariusz; Benoist, Eric; Schachner, Jörg A; Mösch-Zanetti, Nadia C","Oxorhenium(V) complexes of quinoline and isoquinoline carboxylic acids‒synthesis, structural characterization and catalytic application in epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8827","8837","10.1039/c3dt50625h","","","0.71073","MoKα","","0.0386","0.0294","","","0.0687","0.0723","","","","","","1.066","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023062","10.0708","0.0006","14.4437","0.0008","13.4971","0.0008","90","","106.654","0.006","90","","1880.9","0.2","295","0.2","295","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N2 O6 Re -","- C21 H15 N2 O6 Re -","- C84 H60 N8 O24 Re4 -","4","1","","Machura, Barbara; Wolff, Mariusz; Benoist, Eric; Schachner, Jörg A; Mösch-Zanetti, Nadia C","Oxorhenium(V) complexes of quinoline and isoquinoline carboxylic acids‒synthesis, structural characterization and catalytic application in epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8827","8837","10.1039/c3dt50625h","","","0.71073","MoKα","","0.0333","0.0233","","","0.0432","0.0457","","","","","","1","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023063","15.927","0.003","10.223","0.002","13.508","0.003","90","","100.04","0.03","90","","2165.7","0.8","295","0.2","295","0.2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C23 H19 N2 O8 Re -","- C23 H19 N2 O8 Re -","- C92 H76 N8 O32 Re4 -","4","1","","Machura, Barbara; Wolff, Mariusz; Benoist, Eric; Schachner, Jörg A; Mösch-Zanetti, Nadia C","Oxorhenium(V) complexes of quinoline and isoquinoline carboxylic acids‒synthesis, structural characterization and catalytic application in epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8827","8837","10.1039/c3dt50625h","","","0.71073","MoKα","","0.0415","0.0368","","","0.0854","0.0876","","","","","","1.075","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023064","9.4283","0.0007","32.008","0.002","14.8515","0.0009","90","","105.54","0.007","90","","4318.1","0.5","295","0.2","295","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N2 O8 Re -","- C23 H19 N2 O8 Re -","- C184 H152 N16 O64 Re8 -","8","2","","Machura, Barbara; Wolff, Mariusz; Benoist, Eric; Schachner, Jörg A; Mösch-Zanetti, Nadia C","Oxorhenium(V) complexes of quinoline and isoquinoline carboxylic acids‒synthesis, structural characterization and catalytic application in epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8827","8837","10.1039/c3dt50625h","","","0.71073","MoKα","","0.0559","0.0402","","","0.0758","0.0824","","","","","","1.054","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023065","8.1736","0.0004","8.8246","0.0004","14.5611","0.0006","93.471","0.003","103.383","0.004","115.785","0.004","904.3","0.08","295","0.2","295","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N2 O6 Re -","- C21 H15 N2 O6 Re -","- C42 H30 N4 O12 Re2 -","2","1","","Machura, Barbara; Wolff, Mariusz; Benoist, Eric; Schachner, Jörg A; Mösch-Zanetti, Nadia C","Oxorhenium(V) complexes of quinoline and isoquinoline carboxylic acids‒synthesis, structural characterization and catalytic application in epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8827","8837","10.1039/c3dt50625h","","","0.71073","MoKα","","0.0809","0.0553","","","0.0815","0.0868","","","","","","1.086","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023066","7.6439","0.0004","42.292","0.0002","8.0074","0.0003","90","","97.08","0.004","90","","2568.86","0.17","295","0.2","295","0.2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Cl2 N O3 P Re -","- C28 H21 Cl2 N O3 P Re -","- C112 H84 Cl8 N4 O12 P4 Re4 -","4","1","","Machura, Barbara; Wolff, Mariusz; Benoist, Eric; Schachner, Jörg A; Mösch-Zanetti, Nadia C","Oxorhenium(V) complexes of quinoline and isoquinoline carboxylic acids‒synthesis, structural characterization and catalytic application in epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8827","8837","10.1039/c3dt50625h","","","0.71073","MoKα","","0.0512","0.0427","","","0.0661","0.0681","","","","","","1.253","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023067","9.839","0.0006","10.6857","0.0008","30.1868","0.0013","95.667","0.004","90.406","0.004","106.382","0.006","3028","0.3","295","0.2","295","0.2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H26 Cl2 N2 O4 P Re -","- C31 H26 Cl2 N2 O4 P Re -","- C124 H104 Cl8 N8 O16 P4 Re4 -","4","2","","Machura, Barbara; Wolff, Mariusz; Benoist, Eric; Schachner, Jörg A; Mösch-Zanetti, Nadia C","Oxorhenium(V) complexes of quinoline and isoquinoline carboxylic acids‒synthesis, structural characterization and catalytic application in epoxidation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8827","8837","10.1039/c3dt50625h","","","0.71073","MoKα","","0.0751","0.0466","","","0.1181","0.1406","","","","","","1.043","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023068","12.4091","0.0001","14.7848","0.0002","14.9983","0.0001","110.801","0.001","102.945","0.001","100.046","0.001","2407.56","0.05","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","Chisholm 1914","","","- C50 H73 Bi N2 O3 -","- C50 H73 Bi N2 O3 -","- C100 H146 Bi2 N4 O6 -","2","1","","Balasanthiran, Vagulejan; Chisholm, Malcolm H.; Durr, Christopher B.; Gallucci, Judith C.","Single-site bismuth alkoxide catalysts for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11234","11241","10.1039/c3dt50629k","","x-ray","0.71073","MoKα","","0.0331","0.024","","","0.0608","0.0833","","","","","","1.198","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023069","15.2904","0.0005","10.4994","0.0003","27.3011","0.0008","90","","103.756","0.001","90","","4257.2","0.2","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","Chisholm 1919","","","- C76 H112 Bi2 Cl10 N4 O4 -","- C76 H112 Bi2 Cl10 N4 O4 -","- C152 H224 Bi4 Cl20 N8 O8 -","2","0.5","","Balasanthiran, Vagulejan; Chisholm, Malcolm H.; Durr, Christopher B.; Gallucci, Judith C.","Single-site bismuth alkoxide catalysts for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11234","11241","10.1039/c3dt50629k","","x-ray","0.71073","MoKα","","0.1008","0.0705","","","0.1878","0.205","","","","","","1.062","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023070","17.4471","0.0003","17.451","0.0003","58.386","0.0011","90","","90","","90","","17776.7","0.5","150","2","150","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C136.39 H205.36 Bi4 Cl4 N8.6 O9.2 Si1.2 -","- C136.388 H204.764 Bi4 Cl4 N8.598 O9.2 Si1.196 -","- C545.552 H819.056 Bi16 Cl16 N34.392 O36.8 Si4.784 -","4","1","","Balasanthiran, Vagulejan; Chisholm, Malcolm H.; Durr, Christopher B.; Gallucci, Judith C.","Single-site bismuth alkoxide catalysts for the ring-opening polymerization of lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11234","11241","10.1039/c3dt50629k","","x-ray","0.71073","MoKα","","0.0786","0.0543","","","0.1325","0.1439","","","","","","1.047","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023071","9.797","0.0006","14.1459","0.001","15.782","0.0009","106.273","0.006","100.855","0.005","105.968","0.006","1933.3","0.2","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H82 Cu3 N18 O22 S2 -","- C64 H78 Cu3 N18 O22 S2 -","- C64 H78 Cu3 N18 O22 S2 -","1","0.5","","Li, Min; Zhao, Shan; Peng, Yan-Fen; Li, Bao-Long; Li, Hai-Yan","A polythreading array formed by a (3,5)-connected 3D anionic network and 1D cationic chains: synthesis, structure, and catalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9771","9776","10.1039/c3dt50641j","","","0.71073","MoKα","","0.0772","0.0521","","","0.1068","0.1165","","","","","","1.095","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023072","6.7608","0.0004","10.2296","0.0005","12.2954","0.0007","90","","103.801","0.003","90","","825.8","0.08","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C4 Br2 Fe O4 -","- C4 Br2 Fe O4 -","- C16 Br8 Fe4 O16 -","4","1","","Turrell, Peter J.; Hill, Amanda D.; Ibrahim, Saad K.; Wright, Joseph A.; Pickett, Christopher J.","Ferracyclic carbamoyl complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8140","8146","10.1039/c3dt50642h","","","0.71073","MoKα","","0.0715","0.0679","","","0.1723","0.1767","","","","","","1.095","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023073","11.2197","0.0006","12.6286","0.0007","11.8538","0.0006","90","","105.142","0.005","90","","1621.24","0.15","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Br2 Fe N4 O3 -","- C13 H12 Br2 Fe N4 O3 -","- C52 H48 Br8 Fe4 N16 O12 -","4","1","","Turrell, Peter J.; Hill, Amanda D.; Ibrahim, Saad K.; Wright, Joseph A.; Pickett, Christopher J.","Ferracyclic carbamoyl complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8140","8146","10.1039/c3dt50642h","","x-ray","0.71073","MoKα","","0.0897","0.042","","","0.0788","0.0851","","","","","","0.851","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023074","13.2378","0.0003","7.5324","0.0003","15.4174","0.0005","90","","110.218","0.002","90","","1442.58","0.08","120","2","120","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C11 H14 Br Fe N2 O3 P -","- C11 H14 Br Fe N2 O3 P -","- C44 H56 Br4 Fe4 N8 O12 P4 -","4","1","","Turrell, Peter J.; Hill, Amanda D.; Ibrahim, Saad K.; Wright, Joseph A.; Pickett, Christopher J.","Ferracyclic carbamoyl complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8140","8146","10.1039/c3dt50642h","","","0.71073","MoKα","","0.0609","0.0402","","","0.0725","0.0794","","","","","","1.127","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023075","10.1505","0.0003","12.4119","0.0004","13.18","0.0004","90","","110.162","0.002","90","","1558.76","0.09","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Br6 Fe3 N4 O P2 -","- C14 H30 Br6 Fe3 N4 O P2 -","- C28 H60 Br12 Fe6 N8 O2 P4 -","2","0.5","","Turrell, Peter J.; Hill, Amanda D.; Ibrahim, Saad K.; Wright, Joseph A.; Pickett, Christopher J.","Ferracyclic carbamoyl complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8140","8146","10.1039/c3dt50642h","","","0.71073","MoKα","","0.0569","0.0378","","","0.0705","0.0786","","","","","","1.114","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023076","11.061","0.005","12.238","0.005","15.979","0.005","69.894","0.005","86.657","0.005","77.321","0.005","1981.3","1.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H43 Br Fe N2 O3 P2 -","- C47 H43 Br Fe N2 O3 P2 -","- C94 H86 Br2 Fe2 N4 O6 P4 -","2","1","","Turrell, Peter J.; Hill, Amanda D.; Ibrahim, Saad K.; Wright, Joseph A.; Pickett, Christopher J.","Ferracyclic carbamoyl complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8140","8146","10.1039/c3dt50642h","","","0.71073","MoKα","","0.151","0.0889","","","0.1522","0.1726","","","","","","1.103","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023077","4.8603","0.0006","9.3209","0.0011","13.5944","0.0019","97.673","0.01","91.575","0.011","92.141","0.01","609.59","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H7 N2 O1.5 -","- C5 H7 N2 O1.5 -","- C20 H28 N8 O6 -","4","2","","Turrell, Peter J.; Hill, Amanda D.; Ibrahim, Saad K.; Wright, Joseph A.; Pickett, Christopher J.","Ferracyclic carbamoyl complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8140","8146","10.1039/c3dt50642h","","x-ray","0.71073","MoKα","","0.1302","0.0543","","","0.0963","0.1173","","","","","","0.916","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023078","9.8203","0.0017","12.719","0.002","15.139","0.002","90","","91.83","0.014","90","","1890","0.5","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 Br Fe N4 O3 P -","- C13 H18 Br Fe N4 O3 P -","- C52 H72 Br4 Fe4 N16 O12 P4 -","4","1","","Turrell, Peter J.; Hill, Amanda D.; Ibrahim, Saad K.; Wright, Joseph A.; Pickett, Christopher J.","Ferracyclic carbamoyl complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8140","8146","10.1039/c3dt50642h","","x-ray","0.71073","MoKα","","0.1181","0.091","","","0.268","0.2767","","","","","","1.039","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023079","10.0743","0.0003","13.2511","0.0003","18.8476","0.0005","90","","92.46","0.002","90","","2513.75","0.12","140","2","140","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H27 Br3 Fe2 N4 O2 P2 -","- C15 H27 Br3 Fe2 N4 O2 P2 -","- C60 H108 Br12 Fe8 N16 O8 P8 -","4","1","","Turrell, Peter J.; Hill, Amanda D.; Ibrahim, Saad K.; Wright, Joseph A.; Pickett, Christopher J.","Ferracyclic carbamoyl complexes related to the active site of [Fe]-hydrogenase.","Dalton transactions (Cambridge, England : 2003)","2013","42","22","8140","8146","10.1039/c3dt50642h","","x-ray","0.71073","MoKα","","0.0351","0.0263","","","0.0541","0.0563","","","","","","1.046","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023080","13.4006","0.0007","13.5192","0.0007","15.786","0.0008","68.403","0.002","80.115","0.002","65.851","0.002","2425.6","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H59 Au2 F6 O P2 S Sb -","- C47 H59 Au2 F6 O P2 S Sb -","- C94 H118 Au4 F12 O2 P4 S2 Sb2 -","2","1","","Young, Paul C.; Green, Samantha L. J.; Rosair, Georgina M.; Lee, Ai-Lan","Deactivation of gold(I) catalysts in the presence of thiols and amines‒characterisation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9645","9653","10.1039/c3dt50653c","","","0.71073","MOKα","","0.0259","0.0216","","","0.0545","0.0707","","","","","","1.139","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023081","12.054","0.0008","30.084","0.002","13.5903","0.0008","90","","96.316","0.003","90","","4898.4","0.5","100","2","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H63.5 Au2 Cl1.5 F6 P2 S Sb -","- C44.5 H63.5 Au2 Cl1.5 F6 P2 S Sb -","- C178 H254 Au8 Cl6 F24 P8 S4 Sb4 -","4","1","","Young, Paul C.; Green, Samantha L. J.; Rosair, Georgina M.; Lee, Ai-Lan","Deactivation of gold(I) catalysts in the presence of thiols and amines‒characterisation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9645","9653","10.1039/c3dt50653c","","","0.71073","MoKα","","0.0468","0.0328","","","0.0713","0.0765","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023082","7.5686","0.0004","17.4546","0.0009","20.8291","0.0011","90","","95.628","0.003","90","","2738.4","0.2","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Au F6 N P Sb -","- C26 H34 Au F6 N P Sb -","- C104 H136 Au4 F24 N4 P4 Sb4 -","4","1","","Young, Paul C.; Green, Samantha L. J.; Rosair, Georgina M.; Lee, Ai-Lan","Deactivation of gold(I) catalysts in the presence of thiols and amines‒characterisation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9645","9653","10.1039/c3dt50653c","","","0.71073","MOKα","","0.0324","0.0235","","","0.0458","0.048","","","","","","1.024","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023083","13.1268","0.0004","11.7372","0.0004","19.9682","0.0007","90","","106.108","0.002","90","","2955.75","0.17","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C27 H35 Au F6 N O P Sb -","- C27 H35 Au F6 N O P Sb -","- C108 H140 Au4 F24 N4 O4 P4 Sb4 -","4","1","","Young, Paul C.; Green, Samantha L. J.; Rosair, Georgina M.; Lee, Ai-Lan","Deactivation of gold(I) catalysts in the presence of thiols and amines‒characterisation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9645","9653","10.1039/c3dt50653c","","","0.71073","MoKα","","0.0439","0.0298","","","0.0636","0.0692","","","","","","0.965","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023084","7.6009","0.0004","17.775","0.0009","20.5702","0.001","90","","98.499","0.002","90","","2748.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Au F6 N P Sb -","- C24 H38 Au F6 N P Sb -","- C96 H152 Au4 F24 N4 P4 Sb4 -","4","1","","Young, Paul C.; Green, Samantha L. J.; Rosair, Georgina M.; Lee, Ai-Lan","Deactivation of gold(I) catalysts in the presence of thiols and amines‒characterisation and catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9645","9653","10.1039/c3dt50653c","","","0.71073","MoKα","","0.0466","0.0285","","","0.0639","0.0691","","","","","","1.026","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023085","19.1223","0.0004","19.1223","0.0004","12.5392","0.0004","90","","90","","120","","3970.82","0.17","293","2","293","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- Ge K2 O50 W12 -","- Ge K2 O50 W12 -","- Ge3 K6 O150 W36 -","3","0.25","","Tang, Qun; Liu, Shuxia; Liu, Yiwei; Li, Shujun; Ma, Fengji; Li, Jianxin; Wang, Shengtian; Liu, Chengzhan","Assembly and spontaneous resolution of the chiral inorganic polyoxometalates-based frameworks via helical chains association.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8512","8518","10.1039/c3dt50672j","","","0.71073","MoKα","","0.063","0.0431","","","0.0957","0.1041","","","","","","1.001","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7023086","19.098","0.002","19.098","0.002","12.6327","0.0018","90","","90","","120","","3990.3","0.8","293","2","293","2","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","","","- Ge3 K6 O141 W36 -","- Ge3 K6 O141 W36 -","- Ge3 K6 O141 W36 -","1","0.0833333","","Tang, Qun; Liu, Shuxia; Liu, Yiwei; Li, Shujun; Ma, Fengji; Li, Jianxin; Wang, Shengtian; Liu, Chengzhan","Assembly and spontaneous resolution of the chiral inorganic polyoxometalates-based frameworks via helical chains association.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8512","8518","10.1039/c3dt50672j","","","0.71073","MoKα","","0.0437","0.0324","","","0.0685","0.0719","","","","","","1.057","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023087","19.107","0.005","19.107","0.005","12.6","0.005","90","0.005","90","0.005","120","0.005","3984","2","293","2","293","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- K2 O46 Si W12 -","- K2 O46 Si W12 -","- K6 O138 Si3 W36 -","3","0.25","","Tang, Qun; Liu, Shuxia; Liu, Yiwei; Li, Shujun; Ma, Fengji; Li, Jianxin; Wang, Shengtian; Liu, Chengzhan","Assembly and spontaneous resolution of the chiral inorganic polyoxometalates-based frameworks via helical chains association.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8512","8518","10.1039/c3dt50672j","","","0.71069","MoKα","","0.0349","0.0325","","","0.0807","0.0823","","","","","","1.011","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7023088","19.1718","0.0016","19.1718","0.0016","12.584","0.002","90","","90","","120","","4005.7","0.8","293","2","293","2","","","","","","","","4","P 64 2 2","P 64 2 (0 0 2)","181","","","","- K2 O46 Si W12 -","- K2 O46 Si W12 -","- K6 O138 Si3 W36 -","3","0.25","","Tang, Qun; Liu, Shuxia; Liu, Yiwei; Li, Shujun; Ma, Fengji; Li, Jianxin; Wang, Shengtian; Liu, Chengzhan","Assembly and spontaneous resolution of the chiral inorganic polyoxometalates-based frameworks via helical chains association.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8512","8518","10.1039/c3dt50672j","","","0.71073","MoKα","","0.0791","0.052","","","0.0983","0.1041","","","","","","1.055","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7023089","31.11","0.009","10.192","0.003","22.095","0.006","90","","93.938","0.004","90","","6989","3","223","","223","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H30 N10 O20 Zn2 -","- C64 H30 N10 O20 Zn2 -","- C256 H120 N40 O80 Zn8 -","4","0.5","","Hirai, Kenji; Chen, Kebi; Fukushima, Tomohiro; Horike, Satoshi; Kondo, Mio; Louvain, Nicolas; Kim, Chiwon; Sakata, Yoko; Meilikhov, Mikhail; Sakata, Osami; Kitagawa, Susumu; Furukawa, Shuhei","Programmed crystallization via epitaxial growth and ligand replacement towards hybridizing porous coordination polymer crystals.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15868","15872","10.1039/c3dt50679g","","","0.71075","MoKα","","","0.0603","","","","0.1868","","","","","","1.101","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023090","11.978","0.004","16.464","0.005","29.114","0.009","90","","90","","90","","5741","3","173","2","173","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C21 H12 Cl4 Fe2 N10 O -","- C21 H12 Cl4 Fe2 N10 O0.9996 -","- C168 H96 Cl32 Fe16 N80 O7.9968 -","8","0.25","","Alborés, Pablo; Rentschler, Eva","Expanding the 2,2'-bipyrimidine bridged 1D homonuclear coordination polymers family: [M(II)(bpym)Cl2] (M = Fe, Co) magnetic and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9621","9627","10.1039/c3dt50691f","","","0.71069","MoKα","","0.0791","0.0584","","","0.1446","0.1525","","","","","","1.074","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023091","11.7256","0.0014","16.5129","0.0019","29.182","0.003","90","","90","","90","","5650.3","1.1","173","2","173","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C21 H12 Cl4 Co2 N10 O -","- C21 H12 Cl4 Co2 N10 O -","- C168 H96 Cl32 Co16 N80 O8 -","8","0.25","","Alborés, Pablo; Rentschler, Eva","Expanding the 2,2'-bipyrimidine bridged 1D homonuclear coordination polymers family: [M(II)(bpym)Cl2] (M = Fe, Co) magnetic and structural characterization.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9621","9627","10.1039/c3dt50691f","","","0.71069","MoKα","","0.1057","0.0788","","","0.1678","0.1739","","","","","","1.236","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023092","8.436","0.0005","8.4562","0.0007","10.4267","0.0007","85.234","0.002","78.75","0.006","81.23","0.001","719.89","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 Co N2 O4 -","- C15 H17 Co N2 O4 -","- C30 H34 Co2 N4 O8 -","2","1","","Gong, Yun; Shi, Hui-Fang; Hao, Zhi; Sun, Jun-Liang; Lin, Jian-Hua","Two novel Co(II) coordination polymers based on 1,4-bis(3-pyridylaminomethyl)benzene as electrocatalysts for oxygen evolution from water.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12252","12259","10.1039/c3dt50697e","","","0.71073","MoKα","","0.0676","0.0503","","","0.1164","0.1252","","","","","","0.967","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023093","8.792","0.008","10.423","0.01","16.322","0.016","91.708","0.013","105.436","0.013","109.67","0.011","1346","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H46 Co2 N10 O15 -","- C52 H46 Co2 N10 O15 -","- C52 H46 Co2 N10 O15 -","1","0.5","","Gong, Yun; Shi, Hui-Fang; Hao, Zhi; Sun, Jun-Liang; Lin, Jian-Hua","Two novel Co(II) coordination polymers based on 1,4-bis(3-pyridylaminomethyl)benzene as electrocatalysts for oxygen evolution from water.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12252","12259","10.1039/c3dt50697e","","","0.71073","MoKα","","0.1604","0.1288","","","0.3744","0.3911","","","","","","1.138","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023094","18.6777","0.0003","18.6777","0.0003","54.443","0.002","90","","90","","120","","16448.2","0.7","291","2","291","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C15 H6 Cu O5 -","- C15 H6 Cu O5 -","- C270 H108 Cu18 O90 -","18","0.5","","Wang, Zhaoxu; Zheng, Baishu; Liu, Heting; Yi, Pinggui; Li, Xiaofang; Yu, Xianyong; Yun, Ruirui","A highly porous 4,4-paddlewheel-connected NbO-type metal-organic framework with a large gas-uptake capacity.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11304","11311","10.1039/c3dt50704a","","","0.71073","MoKα","","0.1041","0.0866","","","0.2861","0.3138","","","","","","1.147","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023095","21.324","0.008","17.491","0.006","23.175","0.008","90","","90.012","0.004","90","","8644","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C131 H126 Co8 N6 Ni36 O53 -","- C131 H126 Co8 N6 Ni36 O53 -","- C262 H252 Co16 N12 Ni72 O106 -","2","0.5","","Ciabatti, Iacopo; Fabrizi de Biani, Fabrizia; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano","Selective synthesis of the [Ni36Co8C8(CO)48]6- octa-carbide carbonyl cluster by thermal decomposition of the [H2Ni22Co6C6(CO)36]4- hexa-carbide.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9662","9670","10.1039/c3dt50710f","","","0.71073","MoKα","","0.1777","0.0825","","","0.1908","0.2467","","","","","","1.032","","","","has coordinates,has disorder","179935","2020-10-21","18:00:00",""
"7023096","9.9529","0.0018","13.236","0.003","13.693","0.003","90.195","0.003","91.519","0.003","93.871","0.003","1799.1","0.7","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H42 N6 -","- C46 H42 N6 -","- C92 H84 N12 -","2","1","","Mikata, Yuji; Sato, Yumi; Takeuchi, Saaya; Kuroda, Yasuko; Konno, Hideo; Iwatsuki, Satoshi","Quinoline-based fluorescent zinc sensors with enhanced fluorescence intensity, Zn/Cd selectivity and metal binding affinity by conformational restriction.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9688","9698","10.1039/c3dt50719j","","","0.7107","MoKα","","","0.0467","","","","0.1193","","","","","","1.134","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023097","11.522","0.003","11.821","0.003","17.615","0.004","102.86","0.003","94.7431","0.0016","112.892","0.002","2116.2","0.9","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C47 H46 Cl2 N6 O9 Zn -","- C47 H45 Cl2 N6 O9 Zn -","- C94 H90 Cl4 N12 O18 Zn2 -","2","1","","Mikata, Yuji; Sato, Yumi; Takeuchi, Saaya; Kuroda, Yasuko; Konno, Hideo; Iwatsuki, Satoshi","Quinoline-based fluorescent zinc sensors with enhanced fluorescence intensity, Zn/Cd selectivity and metal binding affinity by conformational restriction.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9688","9698","10.1039/c3dt50719j","","","0.7107","MoKα","","","0.037","","","","0.0971","","","","","","1.051","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023098","10.8914","0.0003","36.6116","0.0012","23.08","0.0008","90","","93.2121","0.0018","90","","9188.7","0.5","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cl2 N6 O10 Zn -","- C48 H46.5 Cl2 N6 O10 Zn -","- C384 H372 Cl16 N48 O80 Zn8 -","8","2","","Mikata, Yuji; Sato, Yumi; Takeuchi, Saaya; Kuroda, Yasuko; Konno, Hideo; Iwatsuki, Satoshi","Quinoline-based fluorescent zinc sensors with enhanced fluorescence intensity, Zn/Cd selectivity and metal binding affinity by conformational restriction.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9688","9698","10.1039/c3dt50719j","","","0.7107","MoKα","","","0.067","","","","0.171","","","","","","1.084","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023099","18.493","0.005","12.269","0.003","20.647","0.005","90","","90","","90","","4685","2","123","","123","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C49 H54 Cl2 Cu N6 O11 -","- C49 H42 Cl2 Cu N6 O11 -","- C196 H168 Cl8 Cu4 N24 O44 -","4","1","","Mikata, Yuji; Sato, Yumi; Takeuchi, Saaya; Kuroda, Yasuko; Konno, Hideo; Iwatsuki, Satoshi","Quinoline-based fluorescent zinc sensors with enhanced fluorescence intensity, Zn/Cd selectivity and metal binding affinity by conformational restriction.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9688","9698","10.1039/c3dt50719j","","","0.7107","MoKα","","","0.0657","","","","0.1832","","","","","","1.079","","","","has coordinates","179935","2020-10-21","18:00:00",""
"7023100","15.659","0.0006","20.5854","0.0005","13.7274","0.0005","90","","112.878","0.0014","90","","4076.9","0.2","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H42 Cd Cl2 N6 O8 -","- C46 H42 Cd Cl2 N6 O8 -","- C184 H168 Cd4 Cl8 N24 O32 -","4","0.5","","Mikata, Yuji; Sato, Yumi; Takeuchi, Saaya; Kuroda, Yasuko; Konno, Hideo; Iwatsuki, Satoshi","Quinoline-based fluorescent zinc sensors with enhanced fluorescence intensity, Zn/Cd selectivity and metal binding affinity by conformational restriction.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9688","9698","10.1039/c3dt50719j","","","0.7107","MoKα","","","0.0552","","","","0.1411","","","","","","1.049","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023101","27.2692","0.0007","16.0487","0.0003","22.2666","0.0005","90","","105.895","0.001","90","","9372.1","0.4","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47.5 H52 Cd Cl2 N6 O11.5 -","- C47.5 H45 Cd Cl2 N6 O11.5 -","- C380 H360 Cd8 Cl16 N48 O92 -","8","2","","Mikata, Yuji; Sato, Yumi; Takeuchi, Saaya; Kuroda, Yasuko; Konno, Hideo; Iwatsuki, Satoshi","Quinoline-based fluorescent zinc sensors with enhanced fluorescence intensity, Zn/Cd selectivity and metal binding affinity by conformational restriction.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9688","9698","10.1039/c3dt50719j","","","0.7107","MoKα","","","0.0601","","","","0.1683","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023102","11.8217","0.001","12.9831","0.0009","16.441","0.0016","103.246","0.003","101.278","0.004","96.489","0.003","2375.7","0.4","223","","223","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H38 Cd Cl8 N6 O8 -","- C44 H38 Cd Cl8 N6 O8 -","- C88 H76 Cd2 Cl16 N12 O16 -","2","1","","Mikata, Yuji; Sato, Yumi; Takeuchi, Saaya; Kuroda, Yasuko; Konno, Hideo; Iwatsuki, Satoshi","Quinoline-based fluorescent zinc sensors with enhanced fluorescence intensity, Zn/Cd selectivity and metal binding affinity by conformational restriction.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9688","9698","10.1039/c3dt50719j","","","0.7107","MoKα","","","0.0447","","","","0.125","","","","","","1.05","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023103","14.3782","0.0005","16.4845","0.0005","19.2461","0.0007","90","","101.197","0.0015","90","","4474.8","0.3","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 Cd Cl2 N8 O8 -","- C46 H42 Cd Cl2 N8 O8 -","- C184 H168 Cd4 Cl8 N32 O32 -","4","1","","Mikata, Yuji; Sato, Yumi; Takeuchi, Saaya; Kuroda, Yasuko; Konno, Hideo; Iwatsuki, Satoshi","Quinoline-based fluorescent zinc sensors with enhanced fluorescence intensity, Zn/Cd selectivity and metal binding affinity by conformational restriction.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9688","9698","10.1039/c3dt50719j","","","0.7107","MoKα","","","0.0402","","","","0.1087","","","","","","1.065","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023104","15.143","0.002","9.9383","0.0013","19.312","0.003","90","","94.4591","0.0019","90","","2897.6","0.7","123","","123","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 Cd Cl2 N6 O9 -","- C26 H30 Cd Cl2 N6 O9 -","- C104 H120 Cd4 Cl8 N24 O36 -","4","0.5","","Mikata, Yuji; Sato, Yumi; Takeuchi, Saaya; Kuroda, Yasuko; Konno, Hideo; Iwatsuki, Satoshi","Quinoline-based fluorescent zinc sensors with enhanced fluorescence intensity, Zn/Cd selectivity and metal binding affinity by conformational restriction.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9688","9698","10.1039/c3dt50719j","","","0.7107","MoKα","","","0.0198","","","","0.0513","","","","","","1.097","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023105","5.672","0.004","7.76","0.006","7.88","0.006","71.72","0.03","72.91","0.03","74.87","0.03","309.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12 F4 O2 S2 Sn2 -","- C4 H12 F4 O2 S2 Sn2 -","- C4 H12 F4 O2 S2 Sn2 -","1","0.5","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71073","MoKα","","0.0302","0.026","","","0.0392","0.0404","","","","","","0.948","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023106","7.585","0.004","8.451","0.004","9.536","0.005","71.534","0.01","75.959","0.01","73.295","0.01","547.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","bis((2,2'-bipyridine)fluorotin(II)) hexafluorostannate(IV)","","- C20 H16 F8 N4 Sn3 -","- C20 H16 F8 N4 Sn3 -","- C20 H16 F8 N4 Sn3 -","1","0.5","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71073","MoKα","","0.0344","0.0285","","","0.0622","0.0643","","","","","","1.058","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023107","18.05","0.003","7.4503","0.0011","20.61","0.004","90","","97.662","0.003","90","","2746.8","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 F6 N4 O2 Sn3 -","- C26 H24 F6 N4 O2 Sn3 -","- C104 H96 F24 N16 O8 Sn12 -","4","0.5","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71073","MoKα","","0.0224","0.0197","","","0.0517","0.0526","","","","","","1.048","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023108","12.685","0.003","12.699","0.003","19.069","0.004","90","","93.211","0.003","90","","3066.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H39 Cl2 F3 N2 Sn -","- C28 H39 Cl2 F3 N2 Sn -","- C112 H156 Cl8 F12 N8 Sn4 -","4","1","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71073","MoKα","","0.0523","0.0399","","","0.0753","0.0806","","","","","","1.039","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023109","8.5766","0.0018","14.069","0.003","11.918","0.003","90","","94.088","0.004","90","","1434.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Cl2 O2 P2 Sn -","- C6 H18 Cl2 O2 P2 Sn -","- C24 H72 Cl8 O8 P8 Sn4 -","4","1","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71073","MoKα","","0.0259","0.0216","","","0.0426","0.0439","","","","","","1.027","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023110","13.922","0.014","7.559","0.007","14.377","0.014","90","","99.477","0.017","90","","1492","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl2 P2 Sn -","- C10 H16 Cl2 P2 Sn -","- C40 H64 Cl8 P8 Sn4 -","4","1","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71075","MoKα","","0.0919","0.0837","","","0.1884","0.1937","","","","","","1.151","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023111","7.358","0.003","7.88","0.003","11.002","0.005","74.68","0.02","79.59","0.02","78.04","0.05","596.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H16 Cl2 P2 Sn -","- C6 H16 Cl2 P2 Sn -","- C12 H32 Cl4 P4 Sn2 -","2","1","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71075","MoKα","","0.0441","0.033","","","0.0639","0.067","","","","","","0.966","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023112","10.524","0.004","10.855","0.004","12.612","0.004","94.831","0.004","103.36","0.004","103.841","0.006","1346.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Cl2 P2 Sn -","- C30 H24 Cl2 P2 Sn -","- C60 H48 Cl4 P4 Sn2 -","2","1","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71075","MoKα","","0.0511","0.0403","","","0.0676","0.0734","","","","","","1.063","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023113","18.628","0.005","9.918","0.003","10.025","0.003","90","","90","","90","","1852.1","0.9","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H16 As2 Cl4 Sn2 -","- C10 H16 As2 Cl4 Sn2 -","- C40 H64 As8 Cl16 Sn8 -","4","0.5","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71073","MoKα","","0.0326","0.0287","","","0.0696","0.0719","","","","","","1.096","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023114","23.6868","0.0018","9.3191","0.0006","14.9068","0.0011","90","","121.055","0.009","90","","2818.9","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Cl4 P2 Sn2 -","- C26 H24 Cl4 P2 Sn2 -","- C104 H96 Cl16 P8 Sn8 -","4","0.5","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71073","MoKα","","0.0216","0.0199","","","0.0459","0.0466","","","","","","1.152","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023115","8.793","0.003","20.57","0.006","10.823","0.004","90","","104.374","0.004","90","","1896.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H20 Cl6 P2 Sn2 -","- C7 H20 Cl6 P2 Sn2 -","- C28 H80 Cl24 P8 Sn8 -","4","1","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71073","MoKα","","0.0639","0.0461","","","0.0794","0.087","","","","","","0.991","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023116","9.035","0.002","20.046","0.005","11.377","0.003","90","","95.021","0.004","90","","2052.6","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H24 I2 O P2 S -","- C13 H24 I2 O P2 S -","- C52 H96 I8 O4 P8 S4 -","4","1","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71075","MoKα","","0.0231","0.0195","","","0.0425","0.0432","","","","","","0.954","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023117","11.407","0.005","16.501","0.006","9.233","0.004","90","","113.011","0.006","90","","1599.6","1.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl6 P2 Sn2 -","- C26 H26 Cl6 P2 Sn2 -","- C52 H52 Cl12 P4 Sn4 -","2","0.5","","Gurnani, Chitra; Hector, Andrew L.; Jager, Edward; Levason, William; Pugh, David; Reid, Gillian","Tin(II) fluoride vs. tin(II) chloride‒a comparison of their coordination chemistry with neutral ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8364","8374","10.1039/c3dt50743b","","","0.71073","MoKα","","0.0657","0.0558","","","0.0822","0.086","","","","","","1.137","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023118","9.8857","0.0008","10.6918","0.0008","13.7932","0.001","82.367","0.004","89.663","0.004","85.383","0.004","1440.26","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 Cl2 N O4 Ta -","- C26 H38 Cl2 N O4 Ta -","- C52 H76 Cl4 N2 O8 Ta2 -","2","1","","Saha, Tanmoy Kumar; Mandal, Mrinmay; Thunga, Madhubabu; Chakraborty, Debashis; Ramkumar, Venkatachalam","Imino phenoxide complexes of niobium and tantalum as catalysts for the polymerization of lactides, ε-caprolactone and ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10304","10314","10.1039/c3dt50752a","","","0.71073","MoKα","","0.0656","0.06","","","0.1562","0.1609","","","","","","1.048","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023119","11.0133","0.0008","11.7231","0.0008","11.7778","0.0008","90.509","0.003","111.696","0.002","93.203","0.003","1409.99","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H41 Cl3 N Nb O3 -","- C23 H41 Cl3 N Nb O3 -","- C46 H82 Cl6 N2 Nb2 O6 -","2","1","","Saha, Tanmoy Kumar; Mandal, Mrinmay; Thunga, Madhubabu; Chakraborty, Debashis; Ramkumar, Venkatachalam","Imino phenoxide complexes of niobium and tantalum as catalysts for the polymerization of lactides, ε-caprolactone and ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10304","10314","10.1039/c3dt50752a","","","0.71073","MoKα","","0.0594","0.0379","","","0.0858","0.0971","","","","","","1.011","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023120","8.176","0.0003","23.9385","0.0009","13.5896","0.0006","90","","94.923","0.002","90","","2649.96","0.18","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 Cl2 N Nb O4 -","- C23 H32 Cl2 N Nb O4 -","- C92 H128 Cl8 N4 Nb4 O16 -","4","1","","Saha, Tanmoy Kumar; Mandal, Mrinmay; Thunga, Madhubabu; Chakraborty, Debashis; Ramkumar, Venkatachalam","Imino phenoxide complexes of niobium and tantalum as catalysts for the polymerization of lactides, ε-caprolactone and ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10304","10314","10.1039/c3dt50752a","","","0.71073","MoKα","","0.0701","0.0439","","","0.1367","0.1587","","","","","","1.029","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023121","11.3449","0.0003","11.779","0.0002","14.8966","0.0003","82.721","0.005","86.981","0.007","64.714","0.006","1785.42","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H44 B2 I N12 U -","- C30 H44 B2 I N12 U -","- C60 H88 B4 I2 N24 U2 -","2","1","","Antunes, Maria Augusta; Santos, Isabel C.; Bolvin, Hélène; Pereira, Laura C. J.; Mazzanti, Marinella; Marçalo, Joaquim; Almeida, Manuel","Crystal structure diversity in the bis[hydrotris(3,5-dimethylpyrazolyl)borate]iodouranium(III) complex: from neutral to cationic forms.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8861","8867","10.1039/c3dt50753j","","","0.71073","MoKα","","0.0197","0.0178","","","0.0425","0.0431","","","","","","1.018","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023122","16.6266","0.0004","12.9635","0.0003","8.3714","0.0002","90","","91.806","0.001","90","","1803.47","0.07","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H44 B2 I N12 U -","- C30 H44 B2 I N12 U -","- C60 H88 B4 I2 N24 U2 -","2","0.25","","Antunes, Maria Augusta; Santos, Isabel C.; Bolvin, Hélène; Pereira, Laura C. J.; Mazzanti, Marinella; Marçalo, Joaquim; Almeida, Manuel","Crystal structure diversity in the bis[hydrotris(3,5-dimethylpyrazolyl)borate]iodouranium(III) complex: from neutral to cationic forms.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8861","8867","10.1039/c3dt50753j","","","0.71073","MoKα","","0.0176","0.0175","","","0.044","0.044","","","","","","1.091","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023123","10.4623","0.0004","11.8183","0.0005","18.0014","0.0007","97.883","0.002","103.934","0.002","94.987","0.002","2123.18","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H52 B2 I N12 O U -","- C34 H52 B2 I N12 O U -","- C68 H104 B4 I2 N24 O2 U2 -","2","1","","Antunes, Maria Augusta; Santos, Isabel C.; Bolvin, Hélène; Pereira, Laura C. J.; Mazzanti, Marinella; Marçalo, Joaquim; Almeida, Manuel","Crystal structure diversity in the bis[hydrotris(3,5-dimethylpyrazolyl)borate]iodouranium(III) complex: from neutral to cationic forms.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8861","8867","10.1039/c3dt50753j","","","0.71073","MoKα","","0.0347","0.0286","","","0.0735","0.0754","","","","","","1.101","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023124","31.4201","0.001","8.05","0.0003","16.4354","0.0006","90","","90.222","0.002","90","","4157","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 N2 O -","- C22 H30 N2 O -","- C176 H240 N16 O8 -","8","1","","Wang, Chao-Hsiang; Li, Chen-Yu; Huang, Bor-Hunn; Lin, Chu-Chieh; Ko, Bao-Tsan","Synthesis and structural determination of zinc complexes based on an anilido-aldimine ligand containing an O-donor pendant arm: zinc alkoxide derivative as an efficient initiator for ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10875","10884","10.1039/c3dt50756d","","","0.71073","MoKα","","0.1552","0.0788","","","0.1831","0.2064","","","","","","1.023","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023125","10.0897","0.0003","21.5824","0.0007","10.7341","0.0004","90","","102.916","0.002","90","","2278.32","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 N2 O Zn -","- C24 H34 N2 O Zn -","- C96 H136 N8 O4 Zn4 -","4","1","","Wang, Chao-Hsiang; Li, Chen-Yu; Huang, Bor-Hunn; Lin, Chu-Chieh; Ko, Bao-Tsan","Synthesis and structural determination of zinc complexes based on an anilido-aldimine ligand containing an O-donor pendant arm: zinc alkoxide derivative as an efficient initiator for ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10875","10884","10.1039/c3dt50756d","","","0.71073","MoKα","","0.061","0.0393","","","0.0827","0.0899","","","","","","1.008","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023126","9.483","0.0003","12.595","0.0004","12.6403","0.0004","104.21","0.001","108.183","0.001","103.929","0.001","1305.32","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H72 N4 O4 Zn2 -","- C58 H72 N4 O4 Zn2 -","- C58 H72 N4 O4 Zn2 -","1","0.5","","Wang, Chao-Hsiang; Li, Chen-Yu; Huang, Bor-Hunn; Lin, Chu-Chieh; Ko, Bao-Tsan","Synthesis and structural determination of zinc complexes based on an anilido-aldimine ligand containing an O-donor pendant arm: zinc alkoxide derivative as an efficient initiator for ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10875","10884","10.1039/c3dt50756d","","","0.71073","MoKα","","0.0386","0.0359","","","0.0942","0.0964","","","","","","1.05","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023127","10.6979","0.0002","13.3403","0.0002","14.2243","0.0002","92.692","0.001","96.992","0.001","104.565","0.001","1943.78","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H58 N4 O2 Zn -","- C44 H58 N4 O2 Zn -","- C88 H116 N8 O4 Zn2 -","2","1","","Wang, Chao-Hsiang; Li, Chen-Yu; Huang, Bor-Hunn; Lin, Chu-Chieh; Ko, Bao-Tsan","Synthesis and structural determination of zinc complexes based on an anilido-aldimine ligand containing an O-donor pendant arm: zinc alkoxide derivative as an efficient initiator for ring-opening polymerization of cyclic esters.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10875","10884","10.1039/c3dt50756d","","","0.71073","MoKα","","0.0396","0.0312","","","0.0735","0.0772","","","","","","1.032","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023128","22.8646","0.0015","6.6182","0.0003","7.0309","0.0004","90","","94.762","0.004","90","","1060.26","0.1","103","2","103","2","","","","","","","","4","C 1 2 1","C 2y","5","Calcium Uranyl Phosphite","","","- Ca1.81 O21 P4 U2.19 -","- Ca1.81 O21 P4 U2.19 -","- Ca3.62 O42 P8 U4.38 -","2","0.5","","Villa, Eric M.; Diwu, Juan; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E","Structural changes within the alkaline earth uranyl phosphites.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9637","9644","10.1039/c3dt50769f","","","0.71073","MoKα","","0.055","0.0404","","","0.0802","0.0842","","","","","","0.945","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023129","7.746","0.002","8.651","0.002","8.723","0.002","98.81","0.02","108.52","0.02","110.153","0.018","497.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Strontium Uranyl Phosphite","","","- H2 O10 P2 Sr U -","- H2 O10 P2 Sr U -","- H4 O20 P4 Sr2 U2 -","2","1","","Villa, Eric M.; Diwu, Juan; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E","Structural changes within the alkaline earth uranyl phosphites.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9637","9644","10.1039/c3dt50769f","","","0.71073","MoKα","","0.0558","0.0391","","","0.0801","0.09","","","","","","1.031","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023130","10.5731","0.0005","16.6827","0.0008","13.3432","0.0007","90","","113.273","0.002","90","","2162.07","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Barium Uranyl Phosphite","","","- Ba2 H4 O21 P4 U2 -","- Ba2 H4 O21 P4 U2 -","- Ba8 H16 O84 P16 U8 -","4","1","","Villa, Eric M.; Diwu, Juan; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E","Structural changes within the alkaline earth uranyl phosphites.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9637","9644","10.1039/c3dt50769f","","","0.71073","MoKα","","0.0321","0.0289","","","0.073","0.076","","","","","","1.013","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023131","6.8496","0.0015","6.8496","0.0015","17.566","0.004","90","","90","","90","","824.1","0.3","100","2","100","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","Barium Uranium(IV) Phosphate","","","- Ba O9 P2 U -","- Ba O9 P2 U -","- Ba4 O36 P8 U4 -","4","0.125","","Villa, Eric M.; Diwu, Juan; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E","Structural changes within the alkaline earth uranyl phosphites.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9637","9644","10.1039/c3dt50769f","","","0.71073","MoKα","","0.0512","0.0457","","","0.1247","0.1269","","","","","","1.192","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023132","8.8145","0.0003","9.5878","0.0003","11.3029","0.0003","82.786","0.002","70.994","0.003","86.46","0.002","895.78","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","catena-poly[diaquabis-μ-{N, N'-bis(3-pyridyl)ethanediamido} copper (II) hexaflurophosphate]","","- C28 H32 Cu F12 N8 O6 P2 -","- C28 H32 Cu F12 N8 O6 P2 -","- C28 H32 Cu F12 N8 O6 P2 -","1","0.5","","Suman, Kumari; Rajnikant,; Gupta, Vivek K.; Sarkar, Madhushree","Cooperative effect of ""flexible"" interaction and ""flexible"" framework in reversible intake and removal of aromatic guest molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8492","8497","10.1039/c3dt50772f","","","0.71073","MoKα","","0.043","0.0392","","","0.1025","0.1058","","","","","","1.055","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023133","10.03","0.002","11.767","0.002","16.707","0.003","94.07","0.03","101.88","0.03","102.84","0.03","1867.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 N9 Nd O5 -","- C41 H32 N9 Nd O5 -","- C82 H64 N18 Nd2 O10 -","2","1","","Wei, Huibo; Yu, Gang; Zhao, Zifeng; Liu, Zhiwei; Bian, Zuqiang; Huang, Chunhui","Constructing lanthanide [Nd(III), Er(III) and Yb(III)] complexes using a tridentate N,N,O-ligand for near-infrared organic light-emitting diodes.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8951","8960","10.1039/c3dt50778e","","","0.71073","MoKα","","0.0738","0.0505","","","0.1178","0.1353","","","","","","1.016","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023134","10.5733","0.0002","22.1491","0.0006","22.3726","0.0006","90","","91.804","0.002","90","","5236.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","In(S2CNCy2)3.2py","","","- C49 H76 In N5 S6 -","- C49 H76 In N5 S6 -","- C196 H304 In4 N20 S24 -","4","1","","Ehsan, Muhammad Ali; Peiris, T. A. Nirmal; Wijayantha, K. G. Upul; Olmstead, Marilyn M.; Arifin, Zainudin; Mazhar, Muhammad; Lo, K. M.; McKee, Vickie","Development of molecular precursors for deposition of indium sulphide thin film electrodes for photoelectrochemical applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10919","10928","10.1039/c3dt50781e","","","0.71073","MoKα","","0.0769","0.0476","","","0.0949","0.1055","","","","","","1.014","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023135","11.6384","0.0004","11.9426","0.0004","14.4945","0.0003","92.781","0.002","102.078","0.002","111.637","0.003","1813.64","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","In(di-i-Pr-dithiocarbamate)3.1.5","","","- C28.5 H49.5 In N4.5 S6 -","- C28.5 H49.5 In N4.5 S6 -","- C57 H99 In2 N9 S12 -","2","1","","Ehsan, Muhammad Ali; Peiris, T. A. Nirmal; Wijayantha, K. G. Upul; Olmstead, Marilyn M.; Arifin, Zainudin; Mazhar, Muhammad; Lo, K. M.; McKee, Vickie","Development of molecular precursors for deposition of indium sulphide thin film electrodes for photoelectrochemical applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10919","10928","10.1039/c3dt50781e","","","0.71073","MoKα","","0.0272","0.0219","","","0.0502","0.0515","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023136","9.7966","0.0004","12.2791","0.0008","12.779","0.0008","96.142","0.004","92.353","0.004","100.383","0.005","1500.51","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","In(BzMedtc)3","","","- C27 H30 In N3 S6 -","- C27 H30 In N3 S6 -","- C54 H60 In2 N6 S12 -","2","1","","Ehsan, Muhammad Ali; Peiris, T. A. Nirmal; Wijayantha, K. G. Upul; Olmstead, Marilyn M.; Arifin, Zainudin; Mazhar, Muhammad; Lo, K. M.; McKee, Vickie","Development of molecular precursors for deposition of indium sulphide thin film electrodes for photoelectrochemical applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10919","10928","10.1039/c3dt50781e","","","0.71073","MoKα","","0.0283","0.0228","","","0.0493","0.0514","","","","","","1.051","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023137","9.4396","0.0002","10.7753","0.0003","14.0452","0.0003","93.148","0.002","91.655","0.002","107.443","0.003","1359.31","0.06","100","","100","2","","","","","","","","5","P -1","-P 1","2","[In(S~2~CPip]0.5(py)","In(N,N-pentamethylenethiocarbamato)3.0.5pyridine solvate","","- C20.5 H32.5 In N3.5 S6 -","- C20.5 H32.5 In N3.5 S6 -","- C41 H65 In2 N7 S12 -","2","1","","Ehsan, Muhammad Ali; Peiris, T. A. Nirmal; Wijayantha, K. G. Upul; Olmstead, Marilyn M.; Arifin, Zainudin; Mazhar, Muhammad; Lo, K. M.; McKee, Vickie","Development of molecular precursors for deposition of indium sulphide thin film electrodes for photoelectrochemical applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10919","10928","10.1039/c3dt50781e","","","0.71073","MoKα","","0.0174","0.0162","","","0.0395","0.0403","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023138","9.798","0.003","12.935","0.004","13.396","0.004","118.378","0.003","97.249","0.004","99.837","0.004","1429.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Dy N3 O14 -","- C25 H24 Dy N3 O14 -","- C50 H48 Dy2 N6 O28 -","2","1","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Li, Xiaolei; Li, Xiaoliang; Zhang, Jingping","Three novel 1D lanthanide-carboxylate polymeric complexes: syntheses, crystal structures and magnetic analyses.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8504","8511","10.1039/c3dt50782c","","","0.71073","MoKα","","0.0435","0.0389","","","0.1012","0.1055","","","","","","1.049","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023139","9.8217","0.0004","12.9436","0.0007","13.4474","0.0008","118.5","0.006","97.591","0.004","99.982","0.004","1433.34","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Gd N3 O14 -","- C25 H24 Gd N3 O14 -","- C50 H48 Gd2 N6 O28 -","2","1","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Li, Xiaolei; Li, Xiaoliang; Zhang, Jingping","Three novel 1D lanthanide-carboxylate polymeric complexes: syntheses, crystal structures and magnetic analyses.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8504","8511","10.1039/c3dt50782c","","","0.71073","MoKα","","0.0415","0.0356","","","0.0796","0.0869","","","","","","1.011","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023140","9.8528","0.0006","13.4639","0.0008","14.2272","0.001","92.229","0.005","90.403","0.005","96","0.005","1875.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34 Gd N5 O15 -","- C35 H34 Gd N5 O15 -","- C70 H68 Gd2 N10 O30 -","2","1","","Tian, Jumei; Li, Bo; Zhang, Xiaoying; Li, Xiaolei; Li, Xiaoliang; Zhang, Jingping","Three novel 1D lanthanide-carboxylate polymeric complexes: syntheses, crystal structures and magnetic analyses.","Dalton transactions (Cambridge, England : 2003)","2013","42","23","8504","8511","10.1039/c3dt50782c","","","0.71073","MoKα","","0.0677","0.0509","","","0.1019","0.1122","","","","","","1.028","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023141","6.9862","0.0002","11.3882","0.0003","12.566","0.0004","70.378","0.0018","73.462","0.002","86.088","0.002","902.33","0.05","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 B2 Cl6 F4 N4 -","- C34 H34 B2 Cl6 F4 N4 -","- C34 H34 B2 Cl6 F4 N4 -","1","0.5","","Maeda, Hiromitsu; Nishimura, Yuki; Hiroto, Satoru; Shinokubo, Hiroshi","Assembled structures of dipyrrins and their oligomers bridged by dioxy-boron moieties.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15885","15888","10.1039/c3dt50783a","","","1.54187","CuKα","","0.0799","0.0546","","","0.1327","0.1539","","","","","","1.099","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023142","10.6177","0.0003","19.8727","0.0002","20.9723","0.0005","64.525","0.008","77.294","0.01","69.346","0.009","3726","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H51 B3 Cl0 N6 O6 -","- C57 H51 B3 N6 O6 -","- C114 H102 B6 N12 O12 -","2","1","","Maeda, Hiromitsu; Nishimura, Yuki; Hiroto, Satoru; Shinokubo, Hiroshi","Assembled structures of dipyrrins and their oligomers bridged by dioxy-boron moieties.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15885","15888","10.1039/c3dt50783a","","","0.71075","MoKα","","0.0848","0.0695","","","0.2178","0.2264","","","","","","1.386","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023143","17.1735","0.0004","22.6186","0.0004","22.4028","0.0005","90","","103.887","0.002","90","","8447.8","0.3","109","2","109","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C71 H103 N8 O20 P4 Zn4 -","- C71 H92 N8 O20 P4 Zn4 -","- C284 H368 N32 O80 P16 Zn16 -","4","1","","Kalita, Alok Ch; Roch-Marchal, Catherine; Murugavel, Ramaswamy","Cationic D4R zinc phosphate-anionic polyoxometalate hybrids: synthesis, spectra, structure and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9755","9763","10.1039/c3dt50786f","","","0.71073","MoKα","","0.0861","0.056","","","0.1636","0.1732","","","","","","1.066","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023144","6.7556","0.0005","8.7566","0.0005","24.7229","0.0017","95.938","0.005","93.197","0.006","107.84","0.004","1378.8","0.16","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H44 Cu N4 S2 -","- C25.904 H42.808 Cu N4 S2 -","- C51.808 H85.616 Cu2 N8 S4 -","2","1","","Verani, Cláudio N; Shanmugam, Rama; Xavier, Fernando R.; Allard, Marco M.; Kpogo, Kenneth Kwame","Electronic and interfacial behavior of gemini metallosurfactants with copper(ii)/pseudohalide cascade cores.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15296","15306","10.1039/c3dt50788b","","","0.71073","MoKα","","0.1411","0.0599","","","0.0814","0.1","","","","","","0.962","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023145","21.9608","0.0009","11.5983","0.0005","42.5243","0.0018","90","","94.551","0.002","90","","10797.1","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","AO_H19","katz23","","- C56 H50 Au2 Cl2 O4 P2 -","- C56 H50 Au2 Cl2 O4 P2 -","- C448 H400 Au16 Cl16 O32 P16 -","8","2","","Nigra, Michael M.; Yeh, Alexander J.; Okrut, Alexander; DiPasquale, Antonio G.; Yeh, Sheila W.; Solovyov, Andrew; Katz, Alexander","Accessible gold clusters using calix[4]arene N-heterocyclic carbene and phosphine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","35","12762","12771","10.1039/c3dt50804h","","","0.71073","MoKα","","0.0497","0.04","","","0.0988","0.103","","","","","","1.03","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7023146","15.7504","0.0007","19.2503","0.0008","23.5828","0.001","98.761","0.002","92.067","0.002","107.459","0.002","6715.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C126 H140 N10 O17 P4 Pt2 -","- C126 H140 N10 O17 P4 Pt2 -","- C252 H280 N20 O34 P8 Pt4 -","2","1","","Zigon, Nicolas; Guenet, Aurélie; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais","A platinum turnstile with a palladium lock.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9740","9745","10.1039/c3dt50809a","","","0.71073","MoKα","","0.1587","0.0922","","","0.2144","0.2329","","","","","","1.06","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023147","7.9136","0.0002","18.605","0.0004","23.804","0.0005","96.72","0.001","90.62","0.001","96.471","0.001","3457.45","0.14","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C68 H78 Cl3 N5 O9 P2 Pd Pt -","- C68 H78 Cl3 N5 O9 P2 Pd Pt -","- C136 H156 Cl6 N10 O18 P4 Pd2 Pt2 -","2","1","","Zigon, Nicolas; Guenet, Aurélie; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais","A platinum turnstile with a palladium lock.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9740","9745","10.1039/c3dt50809a","","","0.71073","MoKα","","0.0654","0.0404","","","0.0812","0.0901","","","","","","1.024","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023148","7.3604","0.0005","8.6125","0.0006","12.0452","0.0008","74.098","0.001","87.668","0.001","86.006","0.001","732.37","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 N2 Nd2 O18 -","- C28 H22 N2 Nd2 O18 -","- C28 H22 N2 Nd2 O18 -","1","0.5","","Feng, Xun; Ling, Xun-Li; Liu, Lang; Song, Hong-Liang; Wang, Li-Ya; Ng, Seik-Weng; Su, Bei Ya","A series of 3D lanthanide frameworks constructed from aromatic multi-carboxylate ligand: structural diversity, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10292","10303","10.1039/c3dt50810b","","","0.71073","MoKα","","0.0239","0.0223","","","0.0575","0.0585","","","","","","1.044","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023149","7.2867","0.0004","8.5143","0.0005","12.0238","0.0007","73.9876","0.0008","87.9715","0.0008","85.9747","0.0008","715.16","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N O9 Sm -","- C14 H11 N O9 Sm -","- C28 H22 N2 O18 Sm2 -","2","1","","Feng, Xun; Ling, Xun-Li; Liu, Lang; Song, Hong-Liang; Wang, Li-Ya; Ng, Seik-Weng; Su, Bei Ya","A series of 3D lanthanide frameworks constructed from aromatic multi-carboxylate ligand: structural diversity, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10292","10303","10.1039/c3dt50810b","","","0.71073","MoKα","","0.0222","0.0217","","","0.0561","0.0564","","","","","","1.046","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023150","7.648","0.005","10.613","0.007","14.375","0.009","75.779","0.009","84.594","0.01","75.893","0.01","1096.2","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 N2 O10 Tb -","- C26 H15 N2 O10 Tb -","- C52 H30 N4 O20 Tb2 -","2","1","","Feng, Xun; Ling, Xun-Li; Liu, Lang; Song, Hong-Liang; Wang, Li-Ya; Ng, Seik-Weng; Su, Bei Ya","A series of 3D lanthanide frameworks constructed from aromatic multi-carboxylate ligand: structural diversity, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10292","10303","10.1039/c3dt50810b","","","0.71073","MoKα","","0.0353","0.03","","","0.0783","0.0901","","","","","","1.034","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023151","7.562","0.004","10.499","0.005","14.45","0.007","76.219","0.008","84.341","0.007","75.287","0.007","1076.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15 N2 O10 Yb -","- C26 H15 N2 O10 Yb -","- C52 H30 N4 O20 Yb2 -","2","1","","Feng, Xun; Ling, Xun-Li; Liu, Lang; Song, Hong-Liang; Wang, Li-Ya; Ng, Seik-Weng; Su, Bei Ya","A series of 3D lanthanide frameworks constructed from aromatic multi-carboxylate ligand: structural diversity, luminescence and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10292","10303","10.1039/c3dt50810b","","","0.71073","MoKα","","0.0205","0.0194","","","0.0494","0.05","","","","","","1.01","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023152","9.5813","0.0005","13.715","0.0007","5.1668","0.0003","90","","121.962","0.003","90","","576.03","0.06","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","polyaluminum iodide","polyaluminum iodide","","- Al H6 I O4 -","- Al H6 I O4 -","- Al4 H24 I4 O16 -","4","0.5","","Sun, Zhong; Wang, Hui; Zhang, Ying; Li, Jingshuang; Zhao, Yang; Jiang, Wuning; Wang, Li","One-dimensional infinite chain structures of [Al2(OH)4(H2O)4]X2 (X = I, Br, Cl): an aggregate of Al2 species and a precursor of Al(OH)3.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12956","12964","10.1039/c3dt50811k","","","1.5406","CuKα1","","0.017","0.0169","","","0.0504","0.0505","","","","","","1.073","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7023153","9.1124","0.0002","13.3718","0.0004","5.1453","0.0002","90","","122.958","0.002","90","","526.06","0.03","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","polyaluminum bromide","polyaluminum bromide","","- Al Br H6 O4 -","- Al Br H6 O4 -","- Al4 Br4 H24 O16 -","4","0.5","","Sun, Zhong; Wang, Hui; Zhang, Ying; Li, Jingshuang; Zhao, Yang; Jiang, Wuning; Wang, Li","One-dimensional infinite chain structures of [Al2(OH)4(H2O)4]X2 (X = I, Br, Cl): an aggregate of Al2 species and a precursor of Al(OH)3.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12956","12964","10.1039/c3dt50811k","","","1.5406","CuKα1","","0.0205","0.0205","","","0.058","0.058","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7023154","8.782","0.0004","13.2143","0.0007","5.1284","0.0003","90","","123.803","0.003","90","","494.54","0.05","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","polyaluminum chloride","polyaluminum chloride","","- Al Cl H6 O4 -","- Al Cl H6 O4 -","- Al4 Cl4 H24 O16 -","4","0.5","","Sun, Zhong; Wang, Hui; Zhang, Ying; Li, Jingshuang; Zhao, Yang; Jiang, Wuning; Wang, Li","One-dimensional infinite chain structures of [Al2(OH)4(H2O)4]X2 (X = I, Br, Cl): an aggregate of Al2 species and a precursor of Al(OH)3.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12956","12964","10.1039/c3dt50811k","","","1.5406","CuKα1","","0.0228","0.0228","","","0.0535","0.0535","","","","","","1.071","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7023155","13.3208","0.0005","15.4148","0.0006","17.9987","0.0007","88.695","0.0012","73.26","0.0012","70.245","0.0012","3319.5","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H71.5 Gd N4.5 Ni O10.5 -","- C72 H67.5 Gd N4.5 Ni O10.5 -","- C144 H135 Gd2 N9 Ni2 O21 -","2","1","","Xie, Qi-Wei; Wu, Shu-Qi; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Synthesis, crystal structure and magnetic properties of dinuclear NiIILnIII complexes based on a flexible polydentate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11227","11233","10.1039/c3dt50818h","","","0.71075","MoKα","","0.0557","0.0471","","","0.1409","0.1474","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023156","13.408","0.004","15.386","0.006","17.909","0.007","88.542","0.018","73.37","0.015","70.398","0.012","3325","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C71.5 H71 N4 Ni O10.5 Tb -","- C71.5 H69 N4 Ni O10.5 Tb -","- C143 H138 N8 Ni2 O21 Tb2 -","2","1","","Xie, Qi-Wei; Wu, Shu-Qi; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Synthesis, crystal structure and magnetic properties of dinuclear NiIILnIII complexes based on a flexible polydentate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11227","11233","10.1039/c3dt50818h","","","0.71075","MoKα","","0.0676","0.0543","","","0.1375","0.1482","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023157","13.3097","0.0015","15.3831","0.0019","17.944","0.002","88.64","0.05","73.25","0.03","70.27","0.04","3300.5","1.3","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C71.5 H72 Dy N4 Ni O11 -","- C71.5 H69 Dy N4 Ni O11 -","- C143 H138 Dy2 N8 Ni2 O22 -","2","1","","Xie, Qi-Wei; Wu, Shu-Qi; Liu, Cai-Ming; Cui, Ai-Li; Kou, Hui-Zhong","Synthesis, crystal structure and magnetic properties of dinuclear NiIILnIII complexes based on a flexible polydentate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11227","11233","10.1039/c3dt50818h","","","0.71075","MoKα","","0.0458","0.0433","","","0.1152","0.1173","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023158","17.3091","0.0003","12.6428","0.0002","18.537","0.0003","90","","95.9796","0.0016","90","","4034.48","0.12","130","","130","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H31 Ir N2 O2 S2 -","- C43 H31 Ir N2 O2 S2 -","- C172 H124 Ir4 N8 O8 S8 -","4","1","","Dai, Jun; Zhou, Kaifeng; Li, Ming; Sun, Huiqin; Chen, Yunqing; Su, Shijian; Pu, Xuemei; Huang, Yan; Lu, Zhiyun","Iridium(III) complexes with enhanced film amorphism as guests for efficient orange solution-processed single-layer PhOLEDs with low efficiency roll-off.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10559","10571","10.1039/c3dt50834j","","","0.7107","MoKα","","0.0395","0.0312","","","0.0639","0.0673","","","","","","1.052","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023159","14.8264","0.0007","15.4413","0.0005","13.7415","0.0005","90","","96.573","0.004","90","","3125.3","0.2","130","0.1","130","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H28 Ir N2 O2 S2 -","- C37 H29 Ir N2 O2 S2 -","- C148 H116 Ir4 N8 O8 S8 -","4","1","","Dai, Jun; Zhou, Kaifeng; Li, Ming; Sun, Huiqin; Chen, Yunqing; Su, Shijian; Pu, Xuemei; Huang, Yan; Lu, Zhiyun","Iridium(III) complexes with enhanced film amorphism as guests for efficient orange solution-processed single-layer PhOLEDs with low efficiency roll-off.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10559","10571","10.1039/c3dt50834j","","","0.7107","MoKα","","0.0524","0.035","","","0.0797","0.0845","","","","","","0.964","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023160","12.4036","0.0002","12.4491","0.0002","16.4077","0.0003","85.0404","0.0015","70.7698","0.0016","68.6685","0.0016","2226.72","0.07","150.1","","150.1","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H43 Ir N2 O2 S2 -","- C55 H43 Ir N2 O2 S2 -","- C110 H86 Ir2 N4 O4 S4 -","2","1","","Dai, Jun; Zhou, Kaifeng; Li, Ming; Sun, Huiqin; Chen, Yunqing; Su, Shijian; Pu, Xuemei; Huang, Yan; Lu, Zhiyun","Iridium(III) complexes with enhanced film amorphism as guests for efficient orange solution-processed single-layer PhOLEDs with low efficiency roll-off.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10559","10571","10.1039/c3dt50834j","","","0.7107","MoKα","","0.044","0.0356","","","0.0712","0.0745","","","","","","1.052","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023161","13.2888","0.0007","14.3301","0.0008","16.8049","0.001","80.183","0.005","75.426","0.005","80.517","0.005","3026.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H38 Cl2 N12 O11.5 Ru2 -","- C51 H38 Cl2 N12 O11.5 Ru2 -","- C102 H76 Cl4 N24 O23 Ru4 -","2","1","","Das, Ankita; Kundu, Tanaya; Mobin, Shaikh M.; Priego, José Luis; Jiménez-Aparicio, Reyes; Lahiri, Goutam Kumar","Influence of ancillary ligands on the electronic structure and anion sensing features of ligand bridged diruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13733","13746","10.1039/c3dt50853f","","","0.71073","MoKα","","0.1587","0.0846","","","0.2278","0.2486","","","","","","0.894","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023162","10.3634","0.0011","10.9412","0.0012","13.0588","0.0013","105.577","0.002","96.223","0.001","105.729","0.002","1346.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H35 N4 O7 V -","- C25 H35 N4 O7 V -","- C50 H70 N8 O14 V2 -","2","1","","Du, Shizhen; Feng, Jun; Lu, Xiaoming; Wang, Guo","The syntheses and characterizations of vanadium complexes with 1,2-dihydroxyanthraquinone and the structure-effect relationship in their in vitro anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9699","9705","10.1039/c3dt50865j","","","0.71073","MoKα","","0.0822","0.0548","","","0.1451","0.1707","","","","","","1.033","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023163","10.068","0.0011","12.8419","0.0014","29.029","0.003","90","","106.212","0.002","90","","3604","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H35 N4 Na O11 V -","- C38 H35 N4 Na O11 V -","- C152 H140 N16 Na4 O44 V4 -","4","1","","Du, Shizhen; Feng, Jun; Lu, Xiaoming; Wang, Guo","The syntheses and characterizations of vanadium complexes with 1,2-dihydroxyanthraquinone and the structure-effect relationship in their in vitro anticancer activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9699","9705","10.1039/c3dt50865j","","","0.71073","MoKα","","0.2031","0.0987","","","0.2414","0.3409","","","","","","1.031","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023164","9.866","0.002","13.363","0.003","13.75","0.005","110.849","0.007","104.086","0.007","104.756","0.005","1522.2","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H74 B4 Cl4 Fe2 N12 O12 -","- C52 H74 B4 Cl4 Fe2 N12 O12 -","- C52 H74 B4 Cl4 Fe2 N12 O12 -","1","0.5","","Belaya, Irina G.; Svidlov, Semen V.; Dolganov, Alexander V.; Zelinskii, Genrikh E.; Potapova, Tamara V.; Vologzhanina, Anna V.; Varzatskii, Oleg A.; Bubnov, Yurii N.; Voloshin, Yan Z.","Apically linked iron(II) α-dioximate and α-oximehydrazonate bis-clathrochelates: synthesis, structure and electrocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13667","13678","10.1039/c3dt50881a","","","0.71073","MoKα","","0.1394","0.064","","","0.0795","0.0985","","","","","","1.013","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023165","21.5722","0.0015","7.9755","0.0005","18.3057","0.0012","90","","96.441","0.002","90","","3129.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl N2 O4 Re -","- C15 H10 Cl N2 O4 Re -","- C120 H80 Cl8 N16 O32 Re8 -","8","2","","Chanawanno, Kullapa; Engle, James T.; Le, Kevin X.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and pH-dependent behaviour of Re(CO)3 conjugates with diimine phenolic ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13679","13684","10.1039/c3dt50894c","","","0.71073","MoKα","","0.0407","0.0263","","","0.0581","0.0653","","","","","","0.904","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023166","13.005","0.003","8.8892","0.0018","13.661","0.003","90","","100.583","0.002","90","","1552.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 Cl N2 O4 Re -","- C15 H9 Cl N2 O4 Re -","- C60 H36 Cl4 N8 O16 Re4 -","4","1","","Chanawanno, Kullapa; Engle, James T.; Le, Kevin X.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and pH-dependent behaviour of Re(CO)3 conjugates with diimine phenolic ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13679","13684","10.1039/c3dt50894c","","","0.71073","MoKα","","0.0384","0.0302","","","0.0524","0.0548","","","","","","1.277","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023167","12.4869","0.0015","9.2091","0.0011","13.9549","0.0016","90","","100.146","0.001","90","","1579.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Br N2 O4 Re -","- C15 H10 Br N2 O4 Re -","- C60 H40 Br4 N8 O16 Re4 -","4","1","","Chanawanno, Kullapa; Engle, James T.; Le, Kevin X.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and pH-dependent behaviour of Re(CO)3 conjugates with diimine phenolic ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13679","13684","10.1039/c3dt50894c","","","0.71073","MoKα","","0.0443","0.0376","","","0.0975","0.1038","","","","","","0.811","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023168","12.577","0.003","9.011","0.002","14.165","0.003","90","","99.942","0.003","90","","1581.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H9 Br N2 O4 Re -","- C15 H9 Br N2 O4 Re -","- C60 H36 Br4 N8 O16 Re4 -","4","1","","Chanawanno, Kullapa; Engle, James T.; Le, Kevin X.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and pH-dependent behaviour of Re(CO)3 conjugates with diimine phenolic ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13679","13684","10.1039/c3dt50894c","","","0.71073","MoKα","","0.0625","0.0467","","","0.1518","0.1746","","","","","","0.705","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023169","13.186","0.003","8.966","0.002","13.615","0.003","90","","100.26","0.003","90","","1583.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br N2 O4 Re -","- C15 H11 Br N2 O4 Re -","- C60 H44 Br4 N8 O16 Re4 -","4","1","","Chanawanno, Kullapa; Engle, James T.; Le, Kevin X.; Herrick, Richard S.; Ziegler, Christopher J.","The synthesis and pH-dependent behaviour of Re(CO)3 conjugates with diimine phenolic ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13679","13684","10.1039/c3dt50894c","","","0.71073","MoKα","","0.0607","0.042","","","0.0658","0.0706","","","","","","1.213","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023170","6.5523","0.0004","13.362","0.0009","12.2912","0.0008","90","","95.595","0.002","90","","1070.99","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N2 O7 Re -","- C6 H11 N2 O7 Re -","- C24 H44 N8 O28 Re4 -","4","1","","Nayak, Dipak Kumar; Halder, Kamal Krishna; Baishya, Rinku; Sen, Tuhinadri; Mitra, Partha; Debnath, Mita Chatterjee","Tricarbonyltechnetium(I) and tricarbonylrhenium(I) complexes of amino acids: crystal and molecular structure of a novel cyclic dimeric Re(CO)3-amino acid complex comprised of the OON donor atom set of the tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13565","13575","10.1039/c3dt50928a","","","0.71073","MoKα","","0.0531","0.0523","","","0.1682","0.1699","","","","","","1.111","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023171","7.023","0.004","13.883","0.007","18.903","0.01","90","","99.116","0.012","90","","1819.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H46 N4 O16 Re2 -","- C26 H46 N4 O16 Re2 -","- C52 H92 N8 O32 Re4 -","2","0.5","","Nayak, Dipak Kumar; Halder, Kamal Krishna; Baishya, Rinku; Sen, Tuhinadri; Mitra, Partha; Debnath, Mita Chatterjee","Tricarbonyltechnetium(I) and tricarbonylrhenium(I) complexes of amino acids: crystal and molecular structure of a novel cyclic dimeric Re(CO)3-amino acid complex comprised of the OON donor atom set of the tridentate ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13565","13575","10.1039/c3dt50928a","","","0.71073","MoKα","","0.0424","0.0347","","","0.092","0.0969","","","","","","1.104","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023172","17.275","0.007","10.339","0.004","25.146","0.01","90","","90","","90","","4491","3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H15 Cl6 Nb O2 -","- C20 H15 Cl6 Nb O2 -","- C160 H120 Cl48 Nb8 O16 -","8","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Pucino, Margherita; Zacchini, Stefano","Coordination complexes of NbX5 (X = F, Cl) with (N,O)- and (O,O)-donor ligands and the first X-ray characterization of a neutral NbF5 adduct.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13054","13064","10.1039/c3dt50930c","","","0.71073","MoKα","","0.117","0.095","","","0.2228","0.2371","","","","","","1.071","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023173","9.3116","0.0008","13.8688","0.0011","15.259","0.0012","90","","97.515","0.001","90","","1953.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 F5 N Nb O -","- C19 H23 F5 N Nb O -","- C76 H92 F20 N4 Nb4 O4 -","4","1","","Bortoluzzi, Marco; Marchetti, Fabio; Pampaloni, Guido; Pucino, Margherita; Zacchini, Stefano","Coordination complexes of NbX5 (X = F, Cl) with (N,O)- and (O,O)-donor ligands and the first X-ray characterization of a neutral NbF5 adduct.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13054","13064","10.1039/c3dt50930c","","","0.71073","MoKα","","0.0245","0.022","","","0.0524","0.0534","","","","","","1.059","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023174","13.1453","0.0005","16.6419","0.0006","17.5596","0.0006","65.234","0.001","85.407","0.001","87.69","0.001","3476.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H109 In N2 Na O9 -","- C66 H109 In N2 Na O9 -","- C132 H218 In2 N4 Na2 O18 -","2","1","","Piskunov, Alexandr V.; Meshcheryakova, Irina N.; Fukin, Georgy K.; Shavyrin, Andrei S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","The new C-C bond formation in the reaction of o-amidophenolate indium(III) complex with alkyl iodides.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10533","10539","10.1039/c3dt50934f","","","0.71073","MoKα","","0.0557","0.0481","","","0.1248","0.1301","","","","","","1.072","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023175","10.4639","0.0019","12.638","0.002","22.385","0.004","74.287","0.003","78.611","0.002","72.322","0.002","2693.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H80 I In N2 O2 -","- C54 H80 I In N2 O2 -","- C108 H160 I2 In2 N4 O4 -","2","1","","Piskunov, Alexandr V.; Meshcheryakova, Irina N.; Fukin, Georgy K.; Shavyrin, Andrei S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","The new C-C bond formation in the reaction of o-amidophenolate indium(III) complex with alkyl iodides.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10533","10539","10.1039/c3dt50934f","","","0.71073","MoKα","","0.1098","0.06","","","0.1338","0.1471","","","","","","0.943","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023176","11.1943","0.0006","13.2672","0.0007","20.1217","0.0011","81.447","0.001","77.895","0.001","71.084","0.001","2753.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H84 I In N2 O2 -","- C56 H84 I In N2 O2 -","- C112 H168 I2 In2 N4 O4 -","2","1","","Piskunov, Alexandr V.; Meshcheryakova, Irina N.; Fukin, Georgy K.; Shavyrin, Andrei S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.","The new C-C bond formation in the reaction of o-amidophenolate indium(III) complex with alkyl iodides.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10533","10539","10.1039/c3dt50934f","","","0.71073","MoKα","","0.053","0.0398","","","0.0975","0.1027","","","","","","1.053","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023177","10.4803","0.0019","32.015","0.006","14.974","0.003","90","","99.675","0.007","90","","4952.7","1.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H62 Cl5 Co2 N4 Si2 -","- C44 H62 Cl5 Co2 N4 Si2 -","- C176 H248 Cl20 Co8 N16 Si8 -","4","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Krause, Lennard; Stalke, Dietmar","Mixed valence η6-arene cobalt(I) and cobalt(II) compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10277","10281","10.1039/c3dt50939g","","","0.71073","MoKα","","0.0713","0.0428","","","0.0824","0.0912","","","","","","1.024","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023178","18.568","0.003","9.504","0.002","21.378","0.003","90","","102.95","0.02","90","","3676.6","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 Br2 Cl2 Co N4 Si2 -","- C30 H46 Br2 Cl2 Co N4 Si2 -","- C120 H184 Br8 Cl8 Co4 N16 Si8 -","4","1","","Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Krause, Lennard; Stalke, Dietmar","Mixed valence η6-arene cobalt(I) and cobalt(II) compound.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10277","10281","10.1039/c3dt50939g","","","0.56086","AgKα","","0.0374","0.0266","","","0.0588","0.0614","","","","","","1.047","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023179","6.9688","0.0003","15.8935","0.0004","7.506","0.0003","90","","117.596","0.005","90","","736.78","0.06","123","1","123","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Al2 Br6 N2 -","- C4 H4 Al2 Br6 N2 -","- C8 H8 Al4 Br12 N4 -","2","0.5","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Lisovenko, Anna S.; Davydova, Elena I.; Scheer, Manfred; Susliakova, Tatiana V.; Krasnova, Irina S.; Timoshkin, Alexey Y.","Structural and thermodynamic properties of molecular complexes of aluminum and gallium trihalides with bifunctional donor pyrazine: decisive role of Lewis acidity in 1D polymer formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11589","11599","10.1039/c3dt50954k","","x-ray","1.54178","CuKα","","0.0444","0.0355","","","0.0841","0.0877","","","","","","1.04","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023180","11.2325","0.0011","6.7023","0.0004","11.8372","0.0019","90","","104.753","0.014","90","","861.77","0.18","123","1","123","1","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Al Br3 N2 -","- C4 H4 Al Br3 N2 -","- C16 H16 Al4 Br12 N8 -","4","0.5","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Lisovenko, Anna S.; Davydova, Elena I.; Scheer, Manfred; Susliakova, Tatiana V.; Krasnova, Irina S.; Timoshkin, Alexey Y.","Structural and thermodynamic properties of molecular complexes of aluminum and gallium trihalides with bifunctional donor pyrazine: decisive role of Lewis acidity in 1D polymer formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11589","11599","10.1039/c3dt50954k","","x-ray","0.71073","MoKα","","0.0461","0.0322","","","0.0762","0.0795","","","","","","0.986","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023181","6.6265","0.0007","15.4544","0.001","7.1401","0.0008","90","","115.721","0.013","90","","658.76","0.13","123","0.1","123","0.1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Cl6 Ga2 N2 -","- C4 H4 Cl6 Ga2 N2 -","- C8 H8 Cl12 Ga4 N4 -","2","0.5","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Lisovenko, Anna S.; Davydova, Elena I.; Scheer, Manfred; Susliakova, Tatiana V.; Krasnova, Irina S.; Timoshkin, Alexey Y.","Structural and thermodynamic properties of molecular complexes of aluminum and gallium trihalides with bifunctional donor pyrazine: decisive role of Lewis acidity in 1D polymer formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11589","11599","10.1039/c3dt50954k","","x-ray","1.54178","CuKα","","0.0957","0.0936","","","0.2485","0.2505","","","","","","1.099","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023182","11.1474","0.0007","6.3189","0.0005","11.5922","0.0008","90","","101.953","0.007","90","","798.84","0.1","123","0.1","123","0.1","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Cl3 Ga N2 -","- C4 H4 Cl3 Ga N2 -","- C16 H16 Cl12 Ga4 N8 -","4","0.5","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Lisovenko, Anna S.; Davydova, Elena I.; Scheer, Manfred; Susliakova, Tatiana V.; Krasnova, Irina S.; Timoshkin, Alexey Y.","Structural and thermodynamic properties of molecular complexes of aluminum and gallium trihalides with bifunctional donor pyrazine: decisive role of Lewis acidity in 1D polymer formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11589","11599","10.1039/c3dt50954k","","x-ray","1.54178","CuKα","","0.0536","0.0473","","","0.1127","0.1149","","","","","","1.068","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023183","7.1493","0.001","9.3992","0.0017","9.5165","0.0012","60.776","0.016","79.488","0.012","87.758","0.013","547.79","0.17","123","1","123","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C4 H4 Ga I3 N2 -","- C4 H4 Ga I3 N2 -","- C8 H8 Ga2 I6 N4 -","2","1","","Sevastianova, Tatiana N.; Bodensteiner, Michael; Lisovenko, Anna S.; Davydova, Elena I.; Scheer, Manfred; Susliakova, Tatiana V.; Krasnova, Irina S.; Timoshkin, Alexey Y.","Structural and thermodynamic properties of molecular complexes of aluminum and gallium trihalides with bifunctional donor pyrazine: decisive role of Lewis acidity in 1D polymer formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11589","11599","10.1039/c3dt50954k","","x-ray","0.71073","MoKα","","0.055","0.0409","","","0.0789","0.0863","","","","","","1.025","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023184","14.674","0.005","16.836","0.005","20.941","0.005","95.279","0.005","108.852","0.005","115.688","0.005","4246","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Zn2DEP.TNF","","","- C96 H106 Cl3 N12 O7 Zn2 -","- C96 H106 Cl3 N12 O7 Zn2 -","- C192 H212 Cl6 N24 O14 Zn4 -","2","1","","Mondal, Pritam; Chaudhary, Arvind; Rath, Sankar Prasad","Supramolecular BODIPY-Zn(II)-bisporphyrin dyad and trinitrofluorenone encapsulated triad as models of antenna-reaction center: synthesis, structure and photophysical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12381","12394","10.1039/c3dt50956g","","","0.71069","MoKα","","0.131","0.0796","","","0.1959","0.2348","","","","","","1.024","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023185","10.403","0.004","9.077","0.003","20.526","0.007","90","","96.017","0.005","90","","1927.6","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Br N3 -","- C20 H24 Br N3 -","- C80 H96 Br4 N12 -","4","1","","Zhang, Dao; Zhou, Sen; Li, Zhiming; Wang, Quanrui; Weng, Linhong","Direct synthesis of cis-dihalido-bis(NHC) complex of nickel(II) and catalytic application in olefin addition polymerization: effect of halogen co-ligands and density functional theory study.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","12020","12030","10.1039/c3dt50957e","","","0.71073","MoKα","","0.1283","0.0761","","","0.2109","0.2331","","","","","","0.915","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023186","8.573","0.003","15.87","0.006","14.351","0.005","90","","91.024","0.005","90","","1952.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 Br2 N6 Ni -","- C40 H46 Br2 N6 Ni -","- C80 H92 Br4 N12 Ni2 -","2","0.5","","Zhang, Dao; Zhou, Sen; Li, Zhiming; Wang, Quanrui; Weng, Linhong","Direct synthesis of cis-dihalido-bis(NHC) complex of nickel(II) and catalytic application in olefin addition polymerization: effect of halogen co-ligands and density functional theory study.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","12020","12030","10.1039/c3dt50957e","","","0.71073","MoKα","","0.0559","0.0341","","","0.0684","0.0715","","","","","","0.857","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023187","10.292","0.006","13.51","0.008","12.261","0.007","90","","111.141","0.008","90","","1590.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Br2 N6 Ni -","- C30 H42 Br2 N6 Ni -","- C60 H84 Br4 N12 Ni2 -","2","0.5","","Zhang, Dao; Zhou, Sen; Li, Zhiming; Wang, Quanrui; Weng, Linhong","Direct synthesis of cis-dihalido-bis(NHC) complex of nickel(II) and catalytic application in olefin addition polymerization: effect of halogen co-ligands and density functional theory study.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","12020","12030","10.1039/c3dt50957e","","","0.71073","MoKα","","0.0808","0.0419","","","0.0914","0.0998","","","","","","0.846","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023188","21.256","0.009","8.957","0.004","19.814","0.008","90","","95.989","0.006","90","","3752","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 Cl2 N6 Ni -","- C40 H46 Cl2 N6 Ni -","- C160 H184 Cl8 N24 Ni4 -","4","1","","Zhang, Dao; Zhou, Sen; Li, Zhiming; Wang, Quanrui; Weng, Linhong","Direct synthesis of cis-dihalido-bis(NHC) complex of nickel(II) and catalytic application in olefin addition polymerization: effect of halogen co-ligands and density functional theory study.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","12020","12030","10.1039/c3dt50957e","","","0.71073","MoKα","","0.1009","0.0533","","","0.1029","0.1174","","","","","","0.908","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023189","12.868","0.005","12.316","0.005","11.078","0.005","90","","108.62","0.005","90","","1663.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Ag2 Br Cl N6 -","- C30 H42 Ag2 Br Cl N6 -","- C60 H84 Ag4 Br2 Cl2 N12 -","2","0.5","","Zhang, Dao; Zhou, Sen; Li, Zhiming; Wang, Quanrui; Weng, Linhong","Direct synthesis of cis-dihalido-bis(NHC) complex of nickel(II) and catalytic application in olefin addition polymerization: effect of halogen co-ligands and density functional theory study.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","12020","12030","10.1039/c3dt50957e","","","0.71073","MoKα","","0.0629","0.0457","","","0.1361","0.1455","","","","","","1.059","","","","has coordinates","179936","2020-10-21","18:00:00",""
"7023190","24.39","0.08","12.08","0.03","48.24","0.13","90","","100.9","0.07","90","","13957","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H63 Ag4 Br4 P4 -","- C72 H63 Ag4 Br4 P4 -","- C576 H504 Ag32 Br32 P32 -","8","1","","Zhang, Dao; Zhou, Sen; Li, Zhiming; Wang, Quanrui; Weng, Linhong","Direct synthesis of cis-dihalido-bis(NHC) complex of nickel(II) and catalytic application in olefin addition polymerization: effect of halogen co-ligands and density functional theory study.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","12020","12030","10.1039/c3dt50957e","","","0.71073","MoKα","","0.1182","0.0753","","","0.2256","0.2444","","","","","","0.994","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023191","10.0397","0.0009","12.7362","0.0009","13.7012","0.001","96.995","0.005","90.82","0.004","110.356","0.004","1627.3","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H29 Cl2 Cu N7 O10 S -","- C28 H29 Cl2 Cu N7 O10 S -","- C56 H58 Cl4 Cu2 N14 O20 S2 -","2","1","","Knight, James C.; Wuest, Melinda; Saad, Fawaz A.; Wang, Monica; Chapman, David W.; Jans, Hans-Soenke; Lapi, Suzanne E.; Kariuki, Benson M.; Amoroso, Angelo J.; Wuest, Frank","Synthesis, characterisation and evaluation of a novel copper-64 complex with selective uptake in EMT-6 cells under hypoxic conditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","12005","12014","10.1039/c3dt50960e","","","0.71073","MoKα","","0.1435","0.0881","","","0.2001","0.2307","","","","","","1.076","","","","has coordinates,has disorder","179936","2020-10-21","18:00:00",""
"7023192","9.6828","0.0016","14.744","0.002","16.341","0.003","90","","90","","90","","2332.9","0.7","296","2","293","","","","","","","","","6","P c m n","-P 2n 2ac","62","","","","- C9 H22 Cr N10 O S6 -","- C9 H22 Cr N10 O S6 -","- C36 H88 Cr4 N40 O4 S24 -","4","0.5","","Savard, Didier; Leznoff, Daniel B.","Synthesis, structure and light scattering properties of tetraalkylammonium metal isothiocyanate salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14982","14991","10.1039/c3dt50974e","","","0.71073","MoKα","","0.0972","0.0564","","0.0794","0.0562","0.0533","","","","","","1.0782","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023193","24.8961","0.001","9.3234","0.0004","28.4594","0.0012","90","","100.021","0.002","90","","6505.1","0.5","299","2","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H36 Cr N9 S6 -","- C18 H36 Cr N9 S6 -","- C144 H288 Cr8 N72 S48 -","8","1","","Savard, Didier; Leznoff, Daniel B.","Synthesis, structure and light scattering properties of tetraalkylammonium metal isothiocyanate salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14982","14991","10.1039/c3dt50974e","","","1.5418","CuKα","","0.0562","0.0521","","0.0634","0.0557","0.0557","","","","","","1.1121","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023194","12.5278","0.0006","12.4262","0.0006","12.59","0.0006","90","","90.076","0.002","90","","1959.92","0.16","299","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H48 Mn N10 S6 -","- C22 H48 Mn N10 S6 -","- C44 H96 Mn2 N20 S12 -","2","0.5","","Savard, Didier; Leznoff, Daniel B.","Synthesis, structure and light scattering properties of tetraalkylammonium metal isothiocyanate salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14982","14991","10.1039/c3dt50974e","","","0.71073","MoKα","","0.1993","0.0948","","0.1577","0.091","0.0879","","","","","","1.0799","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023195","9.935","0.009","14.689","0.014","15.919","0.015","80.442","0.016","72.682","0.017","81.387","0.018","2175","4","296","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H60 Mn N8 S5 -","- C29 H60 Mn N8 S5 -","- C58 H120 Mn2 N16 S10 -","2","1","","Savard, Didier; Leznoff, Daniel B.","Synthesis, structure and light scattering properties of tetraalkylammonium metal isothiocyanate salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14982","14991","10.1039/c3dt50974e","","","0.71073","MoKα","","0.1654","0.0709","","0.2162","0.0787","0.0735","","","","","","1.0774","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023196","24.1615","0.0002","24.1615","0.0002","24.1615","0.0002","90","","90","","90","","14105","0.2","296","2","293","","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C54 H108 Fe N9 O0.42 S6 -","- C54 H108 Fe N9 O0.42 S6 -","- C432 H864 Fe8 N72 O3.36 S48 -","8","0.333333","","Savard, Didier; Leznoff, Daniel B.","Synthesis, structure and light scattering properties of tetraalkylammonium metal isothiocyanate salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14982","14991","10.1039/c3dt50974e","","","0.71073","MoKα","","0.0448","0.0292","","0.0547","0.0322","0.0322","","","","","","1.0007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023197","12.414","0.0001","12.8836","0.0001","22.7811","0.0002","90.937","0.001","92.34","0.001","96.725","0.001","3614.63","0.05","296","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C53.94 H107.82 Eu N9 S6 -","- C54 H108 Eu N9 S6 -","- C108 H216 Eu2 N18 S12 -","2","1","","Savard, Didier; Leznoff, Daniel B.","Synthesis, structure and light scattering properties of tetraalkylammonium metal isothiocyanate salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14982","14991","10.1039/c3dt50974e","","","0.71073","MoKα","","0.0539","0.0342","","0.0637","0.036","0.0348","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023198","12.2313","0.0008","12.7903","0.0008","22.5105","0.0014","90.806","0.004","91.127","0.004","96.777","0.004","3495.8","0.4","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H108 Gd N9 S6 -","- C54 H108 Gd N9 S6 -","- C108 H216 Gd2 N18 S12 -","2","1","","Savard, Didier; Leznoff, Daniel B.","Synthesis, structure and light scattering properties of tetraalkylammonium metal isothiocyanate salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14982","14991","10.1039/c3dt50974e","","","0.71073","MoKα","","0.0832","0.052","","0.0768","0.0504","0.0504","","","","","","0.9786","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023199","12.4126","0.0003","12.8565","0.0003","22.7613","0.0005","90.885","0.001","92.309","0.001","96.687","0.001","3603.93","0.14","296","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H108 Dy N9 S6 -","- C54 H108 Dy N9 S6 -","- C108 H216 Dy2 N18 S12 -","2","1","","Savard, Didier; Leznoff, Daniel B.","Synthesis, structure and light scattering properties of tetraalkylammonium metal isothiocyanate salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14982","14991","10.1039/c3dt50974e","","","0.71073","MoKα","","0.0577","0.0353","","0.0489","0.0324","0.0319","","","","","","1.1303","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023200","13.32","0.003","14.572","0.003","19.016","0.004","78.967","0.003","86.074","0.003","84.913","0.003","3603.5","1.3","195","2","195","2","","","","","","","","7","P -1","-P 1","2","","Bis{η^5^-[bis(2-methoxy-4-(3-propenyl)(dichloro(η^6^- (4-(2-propyl)toluene)ruthenium(II)phosphino]cylopentadienyl} iron(II)","","- C70 H80 Cl4 Fe O8 P2 Ru2 -","- C70 H80 Cl4 Fe O8 P2 Ru2 -","- C140 H160 Cl8 Fe2 O16 P4 Ru4 -","2","1","","Rao, Sowmya; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis, transition metal chemistry and catalytic reactions of ferrocenylbis(phosphonite), [Fe{C5H4P(OC6H3(OMe-o)(C3H5-p))2}2].","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11695","11708","10.1039/c3dt50995h","","","0.71073","MoKα","","0.1048","0.0614","","","0.1527","0.1801","","","","","","1.03","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023201","14.6299","0.0014","16.1611","0.0015","24.111","0.002","71.67","0.001","80.188","0.001","71.003","0.001","5102","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C200 H208 Cu10 Fe4 I10 O32 P8 -","- C200 H208 Cu10 Fe4 I10 O32 P8 -","- C200 H208 Cu10 Fe4 I10 O32 P8 -","1","0.5","","Rao, Sowmya; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis, transition metal chemistry and catalytic reactions of ferrocenylbis(phosphonite), [Fe{C5H4P(OC6H3(OMe-o)(C3H5-p))2}2].","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11695","11708","10.1039/c3dt50995h","","","0.71073","MoKα","","0.1275","0.0649","","","0.1437","0.172","","","","","","0.994","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023202","9.4474","0.001","11.7473","0.0013","14.7451","0.0016","112.484","0.001","103.393","0.001","104.426","0.002","1363.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Au2 Cl2 Fe O8 P2 -","- C50 H52 Au2 Cl2 Fe O8 P2 -","- C50 H52 Au2 Cl2 Fe O8 P2 -","1","0.5","","Rao, Sowmya; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis, transition metal chemistry and catalytic reactions of ferrocenylbis(phosphonite), [Fe{C5H4P(OC6H3(OMe-o)(C3H5-p))2}2].","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11695","11708","10.1039/c3dt50995h","","","0.71073","MoKα","","0.0791","0.0609","","","0.1365","0.1441","","","","","","1.073","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023203","14.9206","0.0006","19.1288","0.0007","18.087","0.0007","90","","113.349","0.001","90","","4739.5","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","<i>cis</i>-Dichloro(1,1'-bis(bis(2-methoxy-4-(3-propenyl)phenyl) phosphino)ferrocene)platinum(II)","","- C50 H52 Cl2 Fe O8 P2 Pt -","- C50 H52 Cl2 Fe O8 P2 Pt -","- C200 H208 Cl8 Fe4 O32 P8 Pt4 -","4","1","","Rao, Sowmya; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis, transition metal chemistry and catalytic reactions of ferrocenylbis(phosphonite), [Fe{C5H4P(OC6H3(OMe-o)(C3H5-p))2}2].","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11695","11708","10.1039/c3dt50995h","","","0.71073","MoKα","","0.0237","0.0199","","","0.0462","0.0479","","","","","","1.043","","","","has coordinates","194623","2020-10-21","18:00:00",""
"7023204","14.9965","0.0013","19.1024","0.0016","18.0574","0.0015","90","","113.145","0.001","90","","4756.5","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H52 Cl2 Fe O8 P2 Pd -","- C50 H52 Cl2 Fe O8 P2 Pd -","- C200 H208 Cl8 Fe4 O32 P8 Pd4 -","4","1","","Rao, Sowmya; Mague, Joel T.; Balakrishna, Maravanji S.","Synthesis, transition metal chemistry and catalytic reactions of ferrocenylbis(phosphonite), [Fe{C5H4P(OC6H3(OMe-o)(C3H5-p))2}2].","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11695","11708","10.1039/c3dt50995h","","","0.71073","MoKα","","0.0852","0.0507","","","0.11","0.126","","","","","","1.035","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023205","9.637","0.002","11.752","0.003","12.788","0.003","75.248","0.01","85.249","0.012","87.497","0.012","1395.4","0.6","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H34 Fe N2 O Si -","- C31 H34 Fe N2 O Si -","- C62 H68 Fe2 N4 O2 Si2 -","2","1","","Hayasaka, Kazumasa; Fukumoto, Kozo; Nakazawa, Hiroshi","Dehydrogenative desulfurization of thiourea derivatives to give carbodiimides, using hydrosilane and an iron complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10271","10276","10.1039/c3dt50996f","","","0.7107","MoKα","","0.106","0.0856","","","0.1527","0.1612","","","","","","1.185","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023206","11.662","0.002","6.807","0.001","12.447","0.003","90","","103.09","0.02","90","","962.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 Li N3 O3 Sr -","- C3 Li N3 O3 Sr -","- C24 Li8 N24 O24 Sr8 -","8","1","","Kalmutzki, Markus; Ströbele, Markus; Meyer, H-Jürgen","From cyanate to cyanurate: cyclotrimerization reactions towards the novel family of metal cyanurates.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12934","12939","10.1039/c3dt51002f","","","0.71073","MoKα","","0.0272","0.02","","","0.0418","0.0429","","","","","","0.991","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023207","6.8842","0.0012","6.8842","0.0012","12.066","0.003","90","","90","","120","","495.22","0.17","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C6 F Li3 N6 O6 Sr2 -","- C6 F Li3 N6 O6 Sr2 -","- C12 F2 Li6 N12 O12 Sr4 -","2","0.166667","","Kalmutzki, Markus; Ströbele, Markus; Meyer, H-Jürgen","From cyanate to cyanurate: cyclotrimerization reactions towards the novel family of metal cyanurates.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12934","12939","10.1039/c3dt51002f","","","0.71073","MoKα","","0.028","0.0222","","","0.0495","0.0519","","","","","","1.127","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023208","7.1693","0.0003","11.222","0.0005","15.5135","0.0007","82.772","0.002","77.251","0.001","84.525","0.002","1204.72","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cu N6 O18 Tb2 -","- C15 H16 Cu N6 O18 Tb2 -","- C30 H32 Cu2 N12 O36 Tb4 -","2","1","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Six new 3d-4f heterometallic coordination polymers constructed from pyrazole-bridged Cu(II)Ln(III) dinuclear units.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13997","14005","10.1039/c3dt51015h","","","0.71073","MoKα","","0.0199","0.018","","","0.0447","0.0455","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023209","7.1518","0.0003","11.2144","0.0005","15.4635","0.0007","82.695","0.001","77.369","0.002","84.629","0.001","1197.61","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cu Dy2 N6 O18 -","- C15 H16 Cu Dy2 N6 O18 -","- C30 H32 Cu2 Dy4 N12 O36 -","2","1","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Six new 3d-4f heterometallic coordination polymers constructed from pyrazole-bridged Cu(II)Ln(III) dinuclear units.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13997","14005","10.1039/c3dt51015h","","","0.71073","MoKα","","0.0205","0.0197","","","0.0554","0.0559","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023210","7.1245","0.0003","11.2018","0.0005","15.4103","0.0007","82.608","0.002","77.436","0.001","84.553","0.002","1187.58","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cu Er2 N6 O18 -","- C15 H16 Cu Er2 N6 O18 -","- C30 H32 Cu2 Er4 N12 O36 -","2","1","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Six new 3d-4f heterometallic coordination polymers constructed from pyrazole-bridged Cu(II)Ln(III) dinuclear units.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13997","14005","10.1039/c3dt51015h","","","0.71073","MoKα","","0.0221","0.0173","","","0.0346","0.0359","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023211","7.1476","0.0004","11.2218","0.0006","15.4597","0.0008","82.665","0.003","77.383","0.002","84.547","0.003","1197.27","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cu N6 O18 Y2 -","- C15 H16 Cu N6 O18 Y2 -","- C30 H32 Cu2 N12 O36 Y4 -","2","1","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Six new 3d-4f heterometallic coordination polymers constructed from pyrazole-bridged Cu(II)Ln(III) dinuclear units.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13997","14005","10.1039/c3dt51015h","","","0.71073","MoKα","","0.0414","0.0323","","","0.0814","0.085","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023212","6.9914","0.0005","17.1874","0.001","19.9307","0.0013","66.266","0.003","84.632","0.004","81.115","0.004","2164.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cu3 Eu4 N12 O32 -","- C30 H22 Cu3 Eu4 N12 O32 -","- C60 H44 Cu6 Eu8 N24 O64 -","2","1","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Six new 3d-4f heterometallic coordination polymers constructed from pyrazole-bridged Cu(II)Ln(III) dinuclear units.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13997","14005","10.1039/c3dt51015h","","","0.71073","MoKα","","0.1249","0.0576","","","0.0841","0.1048","","","","","","0.972","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023213","6.9992","0.0001","17.1837","0.0003","19.8953","0.0003","66.216","0.001","84.592","0.002","81.006","0.001","2161.42","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cu3 Gd4 N12 O32 -","- C30 H22 Cu3 Gd4 N12 O32 -","- C60 H44 Cu6 Gd8 N24 O64 -","2","1","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Six new 3d-4f heterometallic coordination polymers constructed from pyrazole-bridged Cu(II)Ln(III) dinuclear units.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13997","14005","10.1039/c3dt51015h","","","0.71073","MoKα","","0.0497","0.0305","","","0.0597","0.0661","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023214","15.795","0.002","15.795","0.002","27.87","0.006","90","","90","","90","","6953.1","1.9","173","2","173","2","","","","","","","","6","I 41 c d","I 4bw -2c","110","","","","- C24 H40 Cl2 Cu N8 O8 -","- C24 H40 Cl2 Cu N8 O8 -","- C192 H320 Cl16 Cu8 N64 O64 -","8","0.5","","Ardizzoia, G. Attilio; Brenna, Stefano; Durini, Sara; Therrien, Bruno; Trentin, Ivan","The Goldilocks principle in action: synthesis and structural characterization of a novel {Cu4(μ3-OH)4} cubane stabilized by monodentate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12265","12273","10.1039/c3dt51017d","","","0.71073","MoKα","","0.0714","0.0356","","","0.0784","0.0896","","","","","","0.856","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023215","8.7851","0.0017","10.375","0.002","10.915","0.002","85.01","0.02","76.37","0.02","72.47","0.02","921.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H46 Cl2 Cu2 N8 O10 -","- C26 H46 Cl2 Cu2 N8 O10 -","- C26 H46 Cl2 Cu2 N8 O10 -","1","0.5","","Ardizzoia, G. Attilio; Brenna, Stefano; Durini, Sara; Therrien, Bruno; Trentin, Ivan","The Goldilocks principle in action: synthesis and structural characterization of a novel {Cu4(μ3-OH)4} cubane stabilized by monodentate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12265","12273","10.1039/c3dt51017d","","","0.71073","MoKα","","0.1075","0.0672","","","0.159","0.1768","","","","","","0.849","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023216","15.9451","0.0006","30.6995","0.0008","20.6734","0.0009","90","","122.694","0.003","90","","8516.5","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H84 Cl4 Cu4 N16 O20 -","- C48 H84 Cl4 Cu4 N16 O20 -","- C192 H336 Cl16 Cu16 N64 O80 -","4","1","","Ardizzoia, G. Attilio; Brenna, Stefano; Durini, Sara; Therrien, Bruno; Trentin, Ivan","The Goldilocks principle in action: synthesis and structural characterization of a novel {Cu4(μ3-OH)4} cubane stabilized by monodentate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12265","12273","10.1039/c3dt51017d","","","0.71073","MoKα","","0.188","0.102","","","0.1925","0.2306","","","","","","1.101","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023217","16.2696","0.0019","16.6999","0.0019","22.126","0.003","81.787","0.003","71.232","0.003","64.084","0.003","5119.6","1.1","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H43 B2 F8 N8 O4 Pd3 -","- C54 H35 B2 F8 N8 O4 Pd3 -","- C216 H140 B8 F32 N32 O16 Pd12 -","4","2","","Murahashi, Tetsuro; Takase, Kohei; Usui, Kentaro; Kimura, Seita; Fujimoto, Mayu; Uemura, Tomohito; Ogoshi, Sensuke; Yamamoto, Koji","Trinuclear palladium addition to unsaturated carbocycles.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10626","10632","10.1039/c3dt51018b","","","0.71075","MoKα","","0.0544","0.0456","","","0.1226","0.128","","","","","","1.071","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023218","12.978","0.005","14.106","0.005","14.993","0.006","83.662","0.006","65.457","0.004","70.42","0.006","2351","1.6","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H41 B2 F8 N7 O2 Pd3 -","- C50 H33 B2 F8 N7 O2 Pd3 -","- C100 H66 B4 F16 N14 O4 Pd6 -","2","1","","Murahashi, Tetsuro; Takase, Kohei; Usui, Kentaro; Kimura, Seita; Fujimoto, Mayu; Uemura, Tomohito; Ogoshi, Sensuke; Yamamoto, Koji","Trinuclear palladium addition to unsaturated carbocycles.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10626","10632","10.1039/c3dt51018b","","","0.71075","MoKα","","","0.0503","","","","0.0992","","","","","","0.739","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023219","6.9325","0.0008","21.863","0.002","17.529","0.0018","90","","103.236","0.003","90","","2586.2","0.5","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B2 Cl2 F8 N4 Pd2 -","- C16 H22 B2 Cl2 F8 N4 Pd2 -","- C64 H88 B8 Cl8 F32 N16 Pd8 -","4","1","","Murahashi, Tetsuro; Takase, Kohei; Usui, Kentaro; Kimura, Seita; Fujimoto, Mayu; Uemura, Tomohito; Ogoshi, Sensuke; Yamamoto, Koji","Trinuclear palladium addition to unsaturated carbocycles.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10626","10632","10.1039/c3dt51018b","","","0.71075","MoKα","","","0.0654","","","","0.2433","","","","","","1.075","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023220","11.0157","0.0013","12.3275","0.0015","13.8358","0.0017","113.36","0.004","104.512","0.004","102.553","0.004","1560.2","0.3","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H27 B2 F8 N5 O2 Pd2 -","- C32 H27 B2 F8 N5 O2 Pd2 -","- C64 H54 B4 F16 N10 O4 Pd4 -","2","1","","Murahashi, Tetsuro; Takase, Kohei; Usui, Kentaro; Kimura, Seita; Fujimoto, Mayu; Uemura, Tomohito; Ogoshi, Sensuke; Yamamoto, Koji","Trinuclear palladium addition to unsaturated carbocycles.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10626","10632","10.1039/c3dt51018b","","","0.71075","MoKα","","","0.075","","","","0.2036","","","","","","1.172","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023221","11.8333","0.0007","14.0677","0.0007","15.8338","0.0007","70.703","0.001","89.832","0.001","70.362","0.001","2325.6","0.2","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H38 F12 N8 P2 Pd3 -","- C48 H38 F12 N8 P2 Pd3 -","- C96 H76 F24 N16 P4 Pd6 -","2","1","","Murahashi, Tetsuro; Takase, Kohei; Usui, Kentaro; Kimura, Seita; Fujimoto, Mayu; Uemura, Tomohito; Ogoshi, Sensuke; Yamamoto, Koji","Trinuclear palladium addition to unsaturated carbocycles.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10626","10632","10.1039/c3dt51018b","","","0.71075","MoKα","","0.0742","0.059","","","0.1613","0.1736","","","","","","1.132","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023222","10.708","0.002","15.246","0.004","16.514","0.004","115.265","0.005","98.94","0.004","98.087","0.005","2342.9","1","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H41 B2 F8 N9 Pd3 -","- C50 H41 B2 F8 N9 Pd3 -","- C100 H82 B4 F16 N18 Pd6 -","2","1","","Murahashi, Tetsuro; Takase, Kohei; Usui, Kentaro; Kimura, Seita; Fujimoto, Mayu; Uemura, Tomohito; Ogoshi, Sensuke; Yamamoto, Koji","Trinuclear palladium addition to unsaturated carbocycles.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10626","10632","10.1039/c3dt51018b","","","0.71075","MoKα","","0.1195","0.081","","","0.1918","0.2121","","","","","","1.062","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023223","7.7582","0.0004","11.0274","0.0008","12.1812","0.001","66.717","0.003","85.541","0.004","87.653","0.004","954.31","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cu N4 O13 U -","- C12 H10 Cu N4 O13 U -","- C24 H20 Cu2 N8 O26 U2 -","2","1","","Thuéry, Pierre; Rivière, Eric","Uranyl-copper(II) heterometallic oxalate complexes: coordination polymers and frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10551","10558","10.1039/c3dt51020d","","","0.71073","MoKα","","0.0613","0.0363","","","0.0553","0.06","","","","","","0.923","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023224","15.6832","0.0008","11.7371","0.0003","9.2826","0.0005","90","","98.833","0.002","90","","1688.43","0.13","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cu N4 O11 U -","- C12 H8 Cu N4 O11 U -","- C48 H32 Cu4 N16 O44 U4 -","4","1","","Thuéry, Pierre; Rivière, Eric","Uranyl-copper(II) heterometallic oxalate complexes: coordination polymers and frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10551","10558","10.1039/c3dt51020d","","","0.71073","MoKα","","0.0446","0.0281","","","0.0518","0.0552","","","","","","0.949","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023225","9.9169","0.0006","10.9294","0.0006","11.1783","0.0005","103.449","0.003","110.754","0.003","110.069","0.003","973.8","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cu2 N14 O20 U2 -","- C28 H20 Cu2 N14 O20 U2 -","- C28 H20 Cu2 N14 O20 U2 -","1","0.5","","Thuéry, Pierre; Rivière, Eric","Uranyl-copper(II) heterometallic oxalate complexes: coordination polymers and frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10551","10558","10.1039/c3dt51020d","","","0.71073","MoKα","","0.0388","0.0288","","","0.0559","0.0579","","","","","","0.976","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023226","8.3924","0.0004","17.1982","0.0014","11.9928","0.0008","90","","108.319","0.004","90","","1643.25","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Cu N2 O10 U -","- C14 H8 Cu N2 O10 U -","- C56 H32 Cu4 N8 O40 U4 -","4","1","","Thuéry, Pierre; Rivière, Eric","Uranyl-copper(II) heterometallic oxalate complexes: coordination polymers and frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10551","10558","10.1039/c3dt51020d","","","0.71073","MoKα","","0.0664","0.0352","","","0.0541","0.0591","","","","","","0.95","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023227","8.8103","0.0006","16.569","0.0007","12.5158","0.0007","90","","107.188","0.003","90","","1745.44","0.17","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 Cu N2 O10 U -","- C16 H8 Cu N2 O10 U -","- C64 H32 Cu4 N8 O40 U4 -","4","1","","Thuéry, Pierre; Rivière, Eric","Uranyl-copper(II) heterometallic oxalate complexes: coordination polymers and frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10551","10558","10.1039/c3dt51020d","","","0.71073","MoKα","","0.0721","0.0363","","","0.0532","0.0588","","","","","","0.94","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023228","13.1744","0.0002","15.6545","0.0004","16.8459","0.0004","90","","110.355","0.001","90","","3257.33","0.13","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 N2 -","- C39 H45 N2 -","- C156 H180 N8 -","4","1","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele","Beryllium derivatives of a phenyl-substituted β-diketiminate: a well-defined ring opening reaction of tetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9720","9726","10.1039/c3dt51021b","","","0.71073","MoKα","","0.1224","0.0711","","","0.1621","0.1924","","","","","","1.045","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023229","8.664","0.0003","12.022","0.0005","18.407","0.0009","86.906","0.002","83.488","0.002","81.211","0.002","1881.2","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H55 Li N2 O -","- C43 H55 Li N2 O -","- C86 H110 Li2 N4 O2 -","2","1","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele","Beryllium derivatives of a phenyl-substituted β-diketiminate: a well-defined ring opening reaction of tetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9720","9726","10.1039/c3dt51021b","","","0.71073","MoKα","","0.1009","0.0599","","","0.1221","0.1452","","","","","","1.045","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023230","8.4935","0.0002","12.0951","0.0002","19.6152","0.0003","97.755","0.0012","97.847","0.0012","102.203","0.0011","1922.97","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H53 Be I N2 O -","- C43 H53 Be I N2 O -","- C86 H106 Be2 I2 N4 O2 -","2","1","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele","Beryllium derivatives of a phenyl-substituted β-diketiminate: a well-defined ring opening reaction of tetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9720","9726","10.1039/c3dt51021b","","","0.71073","MoKα","","0.063","0.0491","","","0.118","0.1271","","","","","","1.039","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023231","12.289","0.0001","17.6417","0.0001","35.2748","0.0003","90","","90","","90","","7647.54","0.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C85 H98 Be2 I2 N4 -","- C85 H98 Be2 I2 N4 -","- C340 H392 Be8 I8 N16 -","4","1","","Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele","Beryllium derivatives of a phenyl-substituted β-diketiminate: a well-defined ring opening reaction of tetrahydrofuran.","Dalton transactions (Cambridge, England : 2003)","2013","42","26","9720","9726","10.1039/c3dt51021b","","","0.71073","MoKα","","0.0809","0.0465","","","0.0851","0.095","","","","","","1.021","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023232","8.5921","0.001","11.9088","0.0014","17.348","0.002","87.324","0.002","87.3","0.002","80.596","0.002","1747.9","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H35 Au Cl3 F6 N4 P -","- C33 H35 Au Cl3 F6 N4 P -","- C66 H70 Au2 Cl6 F12 N8 P2 -","2","1","","Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh","Cationic gold(I) heteroleptic complexes bearing a pyrazole-derived N-heterocyclic carbene: syntheses, characterizations, and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12421","12428","10.1039/c3dt51071a","","","0.71073","MoKα","","0.0469","0.04","","","0.089","0.1057","","","","","","1.132","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023233","11","0.003","12.126","0.003","12.426","0.003","109.051","0.005","98.373","0.005","108.802","0.005","1423.6","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H38 Au F6 N4 P -","- C26 H38 Au F6 N4 P -","- C52 H76 Au2 F12 N8 P2 -","2","1","","Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh","Cationic gold(I) heteroleptic complexes bearing a pyrazole-derived N-heterocyclic carbene: syntheses, characterizations, and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12421","12428","10.1039/c3dt51071a","","","0.71073","MoKα","","0.0449","0.0384","","","0.085","0.0873","","","","","","1.068","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023234","9.7407","0.0007","12.5859","0.0009","12.8314","0.0009","60.963","0.001","73.397","0.001","68.016","0.001","1264.8","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 Au F6 N4 P -","- C24 H30 Au F6 N4 P -","- C48 H60 Au2 F12 N8 P2 -","2","1","","Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh","Cationic gold(I) heteroleptic complexes bearing a pyrazole-derived N-heterocyclic carbene: syntheses, characterizations, and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12421","12428","10.1039/c3dt51071a","","","0.71073","MoKα","","0.0263","0.0244","","","0.0622","0.0703","","","","","","1.266","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023235","20.319","0.004","13.683","0.003","10.2795","0.0019","90","","90","","90","","2858","1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H31 Au F6 N2 P2 -","- C29 H31 Au F6 N2 P2 -","- C116 H124 Au4 F24 N8 P8 -","4","1","","Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh","Cationic gold(I) heteroleptic complexes bearing a pyrazole-derived N-heterocyclic carbene: syntheses, characterizations, and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12421","12428","10.1039/c3dt51071a","","","0.71073","MoKα","","0.0494","0.0373","","","0.0764","0.0816","","","","","","0.973","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023236","10.5523","0.0006","14.9858","0.0008","19.0095","0.001","90","","90","","90","","3006.1","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 Au F6 N2 O3 P2 -","- C29 H31 Au F6 N2 O3 P2 -","- C116 H124 Au4 F24 N8 O12 P8 -","4","1","","Sivaram, Haresh; Tan, Jackie; Huynh, Han Vinh","Cationic gold(I) heteroleptic complexes bearing a pyrazole-derived N-heterocyclic carbene: syntheses, characterizations, and cytotoxic activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12421","12428","10.1039/c3dt51071a","","","0.71073","MoKα","","0.0514","0.0452","","","0.0847","0.0869","","","","","","1.004","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023237","10.4385","0.0014","27.184","0.002","9.3482","0.0009","90","","90","","90","","2652.6","0.5","293","2","291","2","","","","","","","","4","P n n a","-P 2a 2bc","52","","","","- C36 H40 Eu2 O19 -","- C36 H40 Eu2 O19 -","- C72 H80 Eu4 O38 -","2","0.25","","Zhou, Xin-Hui; Li, Liang; Li, Hong-Hui; Li, Ao; Yang, Tao; Huang, Wei","A flexible Eu(III)-based metal-organic framework: turn-off luminescent sensor for the detection of Fe(III) and picric acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12403","12409","10.1039/c3dt51081f","","","0.71073","MoKα","","0.1126","0.0774","","","0.2045","0.2317","","","","","","1.075","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023238","35.6139","0.0006","35.6139","0.0006","11.4732","0.0001","90","","90","","120","","12602.4","0.3","295","","295","","","","","","","","","7","R -3 :H","-R 3","148","","","","- C54 H56 Cl Cu4 N8 Na O12 -","- C54 H56 Cl Cu4 N8 Na O12 -","- C486 H504 Cl9 Cu36 N72 Na9 O108 -","9","0.5","","Sarkar, Avijit; Paital, Alok Ranjan; Khan, Rais Ahmad; Arjmand, Farukh; Bertolasi, Valerio; Mathonière, Corine; Clérac, Rodolphe; Ray, Debashis","Ligand dependent self-assembly of hydroxido-bridged dicopper units templated by sodium ion.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12495","12506","10.1039/c3dt51095f","","","0.71073","MoKα","","0.0599","0.0427","","","0.1199","0.1356","","","","","","1.047","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023239","23.2607","0.0012","19.7554","0.001","28.1663","0.0014","90","","101.914","0.0015","90","","12664.3","1.1","295","","295","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H79 Cu2 N4 O5.5 -","- C51 H76 Cu2 N4 O5.5 -","- C408 H608 Cu16 N32 O44 -","8","1","","Sarkar, Avijit; Paital, Alok Ranjan; Khan, Rais Ahmad; Arjmand, Farukh; Bertolasi, Valerio; Mathonière, Corine; Clérac, Rodolphe; Ray, Debashis","Ligand dependent self-assembly of hydroxido-bridged dicopper units templated by sodium ion.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12495","12506","10.1039/c3dt51095f","","","0.71073","MoKα","","0.1052","0.0664","","","0.1873","0.2023","","","","","","0.992","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023240","31.7884","0.0009","16.8473","0.0005","18.0766","0.0004","90","","94.354","0.002","90","","9653","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H45 F6 Ir N4 O4.5 P -","- C50 H45 F6 Ir N4 O4.5 P -","- C400 H360 F48 Ir8 N32 O36 P8 -","8","1","","Smith, Rebecca A.; Stokes, Emily C.; Langdon-Jones, Emily E; Platts, James A.; Kariuki, Benson M.; Hallett, Andrew J.; Pope, Simon J. A.","Cyclometalated cinchophen ligands on iridium(III): towards water-soluble complexes with visible luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10347","10357","10.1039/c3dt51098k","","","0.71073","MoKα","","0.1146","0.0827","","","0.1419","0.152","","","","","","1.147","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023241","15.3862","0.0003","20.0202","0.0004","19.0094","0.0003","90","","96.393","0.001","90","","5819.14","0.19","150","2","150","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C66 H57 F6 Ir N5 O5 P -","- C66 H57 F6 Ir N5 O5 P -","- C264 H228 F24 Ir4 N20 O20 P4 -","4","1","","Smith, Rebecca A.; Stokes, Emily C.; Langdon-Jones, Emily E; Platts, James A.; Kariuki, Benson M.; Hallett, Andrew J.; Pope, Simon J. A.","Cyclometalated cinchophen ligands on iridium(III): towards water-soluble complexes with visible luminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10347","10357","10.1039/c3dt51098k","","","0.71073","MoKα","","0.1121","0.0688","","","0.1198","0.1364","","","","","","1.108","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023242","13.8738","0.0012","14.0031","0.0008","14.1787","0.0012","109.182","0.007","109.922","0.008","106.909","0.007","2179.8","0.4","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H44 Mo3 N2 O8 P4 S12 -","- C20 H44 Mo3 N2 O8 P4 S12 -","- C40 H88 Mo6 N4 O16 P8 S24 -","2","1","","Hernandez-Molina, Rita; Gushchin, Artem; González-Platas, Javier; Martínez, Manuel; Rodríguez, Carlos; Vicent, Cristian","Tungsten and molybdenum incomplete cuboidal clusters; kinetico-mechanistic studies and association in dimers.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15016","15027","10.1039/c3dt51101d","","","0.7107","MoKα","","0.0448","0.0389","","","0.0943","0.0986","","","","","","1.041","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023243","10.71","0.001","13.889","0.001","15.587","0.001","67.158","0.001","82.468","0.001","81.623","0.001","2106.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H37 N2 O8 P3 S10 W3 -","- C18 H37 N2 O7.99 P3 S10 W3 -","- C36 H74 N4 O15.98 P6 S20 W6 -","2","1","","Hernandez-Molina, Rita; Gushchin, Artem; González-Platas, Javier; Martínez, Manuel; Rodríguez, Carlos; Vicent, Cristian","Tungsten and molybdenum incomplete cuboidal clusters; kinetico-mechanistic studies and association in dimers.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15016","15027","10.1039/c3dt51101d","","","0.71073","MoKα","","0.0575","0.047","","","0.1296","0.1369","","","","","","1.221","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023244","12.8385","0.0004","13.8201","0.0006","14.9195","0.0006","104.542","0.004","93.902","0.003","108.054","0.004","2405.4","0.18","100","0.1","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H52 Mo3 N2 O10 P3 S10 -","- C28 H52 Mo3 N2 O10 P3 S10 -","- C56 H104 Mo6 N4 O20 P6 S20 -","2","1","","Hernandez-Molina, Rita; Gushchin, Artem; González-Platas, Javier; Martínez, Manuel; Rodríguez, Carlos; Vicent, Cristian","Tungsten and molybdenum incomplete cuboidal clusters; kinetico-mechanistic studies and association in dimers.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15016","15027","10.1039/c3dt51101d","","","1.5418","CuKα","","0.0305","0.029","","","0.0797","0.0814","","","","","","0.991","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023245","14.1592","0.0002","20.8726","0.0004","25.038","0.0004","90","","90","","90","","7399.7","0.2","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H70 Mo6 N2 O16 P6 S20 -","- C32 H70 Mo6 N2 O16 P6 S20 -","- C128 H280 Mo24 N8 O64 P24 S80 -","4","1","","Hernandez-Molina, Rita; Gushchin, Artem; González-Platas, Javier; Martínez, Manuel; Rodríguez, Carlos; Vicent, Cristian","Tungsten and molybdenum incomplete cuboidal clusters; kinetico-mechanistic studies and association in dimers.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15016","15027","10.1039/c3dt51101d","","","1.5418","CuKα","","0.0837","0.0694","","","0.176","0.1907","","","","","","1.142","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023246","29.411","0.002","9.4996","0.0004","21.3573","0.0015","90","","114.965","0.009","90","","5409.5","0.7","220","","220","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Mo2 N6 O2 S10 -","- C44 H56 Mo2 N6 O2 S10 -","- C176 H224 Mo8 N24 O8 S40 -","4","0.5","","Recatalá, David; Gushchin, Artem L.; Llusar, Rosa; Galindo, F.; Brylev, Konstantin A.; Ryzhikov, Maxim R.; Kitamura, Noboru","Dithiolene dimetallic molybdenum(V) complexes displaying intraligand charge transfer (ILCT) emission.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12947","12955","10.1039/c3dt51102b","","","0.7107","MoKα","","0.1168","0.0598","","","0.1193","0.151","","","","","","1.059","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023247","6.90185","0.00015","15.767","0.0004","10.3916","0.0003","90","","93.706","0.002","90","","1128.46","0.05","199.95","0.1","199.95","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H15 N2 O S4 Sn -","- C20 H14 N2 O S4 Sn -","- C40 H28 N4 O2 S8 Sn2 -","2","1","","Recatalá, David; Gushchin, Artem L.; Llusar, Rosa; Galindo, F.; Brylev, Konstantin A.; Ryzhikov, Maxim R.; Kitamura, Noboru","Dithiolene dimetallic molybdenum(V) complexes displaying intraligand charge transfer (ILCT) emission.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12947","12955","10.1039/c3dt51102b","","","0.7107","MoKα","","0.0406","0.0338","","","0.0729","0.0791","","","","","","1.072","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023248","13.453","0.002","11.1544","0.0017","16.508","0.003","90","","99.666","0.003","90","","2442","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 N3 O3 Zn0.5 -","- C10 H16 N3 O3 Zn0.5 -","- C80 H128 N24 O24 Zn4 -","8","1","","Sun, Di; Xu, Meng-Zhen; Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Dao-Feng","Eight Zn(II) coordination networks based on flexible 1,4-di(1H-imidazol-1-yl)butane and different dicarboxylates: crystal structures, water clusters, and topologies.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12324","12333","10.1039/c3dt51114f","","","0.71073","MoKα","","0.0407","0.0307","","","0.0797","0.0865","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023249","7.3767","0.0012","9.674","0.0016","16.395","0.003","86.541","0.003","84.23","0.003","83.4","0.003","1154.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 N4 O7 Zn -","- C20 H28 N4 O7 Zn -","- C40 H56 N8 O14 Zn2 -","2","1","","Sun, Di; Xu, Meng-Zhen; Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Dao-Feng","Eight Zn(II) coordination networks based on flexible 1,4-di(1H-imidazol-1-yl)butane and different dicarboxylates: crystal structures, water clusters, and topologies.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12324","12333","10.1039/c3dt51114f","","","0.71073","MoKα","","0.0381","0.0332","","","0.0848","0.0881","","","","","","1.044","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023250","9.1919","0.0012","11.4363","0.0014","13.0821","0.0016","66.308","0.002","78.744","0.002","80.613","0.002","1229.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H33 N5 O7 Zn -","- C19 H33 N5 O7 Zn -","- C38 H66 N10 O14 Zn2 -","2","1","","Sun, Di; Xu, Meng-Zhen; Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Dao-Feng","Eight Zn(II) coordination networks based on flexible 1,4-di(1H-imidazol-1-yl)butane and different dicarboxylates: crystal structures, water clusters, and topologies.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12324","12333","10.1039/c3dt51114f","","","0.71073","MoKα","","0.0561","0.0424","","","0.0972","0.1048","","","","","","1.029","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023251","8.2532","0.0011","9.6073","0.0012","14.1941","0.0019","96.513","0.002","96.661","0.002","104.406","0.002","1070.8","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H29 N4 O6.5 Zn -","- C17 H29 N4 O6.5 Zn -","- C34 H58 N8 O13 Zn2 -","2","1","","Sun, Di; Xu, Meng-Zhen; Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Dao-Feng","Eight Zn(II) coordination networks based on flexible 1,4-di(1H-imidazol-1-yl)butane and different dicarboxylates: crystal structures, water clusters, and topologies.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12324","12333","10.1039/c3dt51114f","","","0.71073","MoKα","","0.0602","0.0433","","","0.0961","0.1055","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023252","11.664","0.005","11.683","0.005","19.847","0.008","90","","90","","90","","2705","2","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H11 N2 O5 S Zn -","- C11 H11 N2 O5 S Zn -","- C88 H88 N16 O40 S8 Zn8 -","8","1","","Sun, Di; Xu, Meng-Zhen; Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Dao-Feng","Eight Zn(II) coordination networks based on flexible 1,4-di(1H-imidazol-1-yl)butane and different dicarboxylates: crystal structures, water clusters, and topologies.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12324","12333","10.1039/c3dt51114f","","","0.71073","MoKα","","0.05","0.0368","","","0.1083","0.1196","","","","","","1.017","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023253","9.8348","0.001","15.2564","0.0017","13.8403","0.0015","90","","95.714","0.002","90","","2066.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 N4 O6 Zn -","- C18 H28 N4 O6 Zn -","- C72 H112 N16 O24 Zn4 -","4","1","","Sun, Di; Xu, Meng-Zhen; Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Dao-Feng","Eight Zn(II) coordination networks based on flexible 1,4-di(1H-imidazol-1-yl)butane and different dicarboxylates: crystal structures, water clusters, and topologies.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12324","12333","10.1039/c3dt51114f","","","0.71073","MoKα","","0.0933","0.0599","","","0.1608","0.184","","","","","","1.026","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023254","7.984","0.002","8.729","0.002","16.898","0.004","93.577","0.004","95.508","0.005","103.03","0.004","1137.7","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N4 O4 Zn -","- C20 H22 N4 O4 Zn -","- C40 H44 N8 O8 Zn2 -","2","1","","Sun, Di; Xu, Meng-Zhen; Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Dao-Feng","Eight Zn(II) coordination networks based on flexible 1,4-di(1H-imidazol-1-yl)butane and different dicarboxylates: crystal structures, water clusters, and topologies.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12324","12333","10.1039/c3dt51114f","","","0.71073","MoKα","","0.0659","0.0468","","","0.1047","0.1113","","","","","","0.946","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023255","35.84","0.003","9.0465","0.0008","12.2671","0.0011","90","","90.468","0.002","90","","3977.2","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N4 O4 S Zn -","- C14 H18 N4 O4 S Zn -","- C112 H144 N32 O32 S8 Zn8 -","8","1","","Sun, Di; Xu, Meng-Zhen; Liu, Shan-Shan; Yuan, Shuai; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Dao-Feng","Eight Zn(II) coordination networks based on flexible 1,4-di(1H-imidazol-1-yl)butane and different dicarboxylates: crystal structures, water clusters, and topologies.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12324","12333","10.1039/c3dt51114f","","","0.71073","MoKα","","0.1018","0.0776","","","0.2323","0.2452","","","","","","1.158","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023256","21.071","0.002","10.4609","0.0011","20.255","0.002","90","","120.038","0.001","90","","3865","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Cd I N6 O6 -","- C14 H15 Cd I N6 O6 -","- C112 H120 Cd8 I8 N48 O48 -","8","1","","Deng, Ye; Hou, Chuan-Tao; Walton, Richard I.; Tang, Jiaqian; Zhu, Peizhi; Zhang, Kou-Lin; Ng, Seik Weng","Preparation, structural diversity and characterization of a family of Cd(II)-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12468","12480","10.1039/c3dt51118a","","","0.71073","MoKα","","0.0393","0.0271","","","0.0604","0.0671","","","","","","1.03","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023257","14.4247","0.0016","19.279","0.002","16.6099","0.0019","90","","102.928","0.002","90","","4502","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Cd I N2 O5 -","- C21 H19 Cd I N2 O5 -","- C168 H152 Cd8 I8 N16 O40 -","8","1","","Deng, Ye; Hou, Chuan-Tao; Walton, Richard I.; Tang, Jiaqian; Zhu, Peizhi; Zhang, Kou-Lin; Ng, Seik Weng","Preparation, structural diversity and characterization of a family of Cd(II)-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12468","12480","10.1039/c3dt51118a","","","0.71073","MoKα","","0.0669","0.0428","","","0.0993","0.1117","","","","","","1.028","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023258","10.3338","0.0016","10.7432","0.0016","14.173","0.002","71.448","0.002","86.073","0.002","73.862","0.002","1432.6","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cd I N6 O6 -","- C20 H18 Cd I N6 O6 -","- C40 H36 Cd2 I2 N12 O12 -","2","1","","Deng, Ye; Hou, Chuan-Tao; Walton, Richard I.; Tang, Jiaqian; Zhu, Peizhi; Zhang, Kou-Lin; Ng, Seik Weng","Preparation, structural diversity and characterization of a family of Cd(II)-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12468","12480","10.1039/c3dt51118a","","","0.71073","MoKα","","0.09","0.0624","","","0.2082","0.2308","","","","","","0.997","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023259","8.9822","0.0008","26.469","0.002","11.0259","0.0007","90","","119.252","0.005","90","","2287.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cd I N6 O5 -","- C20 H17 Cd I N6 O5 -","- C80 H68 Cd4 I4 N24 O20 -","4","1","","Deng, Ye; Hou, Chuan-Tao; Walton, Richard I.; Tang, Jiaqian; Zhu, Peizhi; Zhang, Kou-Lin; Ng, Seik Weng","Preparation, structural diversity and characterization of a family of Cd(II)-organic frameworks.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12468","12480","10.1039/c3dt51118a","","","0.71073","MoKα","","0.0388","0.0293","","","0.0645","0.0704","","","","","","1.044","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023260","18.926","0.005","18.926","0.005","18.926","0.005","90","","90","","90","","6779","3","150","2","150","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C20 H20 Cl N8 P -","- C20 H20 Cl N8 P -","- C240 H240 Cl12 N96 P12 -","12","0.25","","Gupta, Arvind K.; Nagarkar, Sanjog S.; Boomishankar, Ramamoorthy","Zn(II) coordination polymer of an in situ generated 4-pyridyl (4Py) attached bis(amido)phosphate ligand, [PO2(NH4Py)2]- showing preferential water uptake over aliphatic alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10964","10970","10.1039/c3dt51123e","","","0.71073","MoKα","","0.0743","0.0707","","","0.2315","0.2389","","","","","","1.19","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023261","10.9218","0.0006","9.3485","0.0005","9.763","0.0005","90","","110.049","0.003","90","","936.42","0.09","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H21 N6 O3 P -","- C16 H21 N6 O3 P -","- C32 H42 N12 O6 P2 -","2","1","","Gupta, Arvind K.; Nagarkar, Sanjog S.; Boomishankar, Ramamoorthy","Zn(II) coordination polymer of an in situ generated 4-pyridyl (4Py) attached bis(amido)phosphate ligand, [PO2(NH4Py)2]- showing preferential water uptake over aliphatic alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10964","10970","10.1039/c3dt51123e","","","0.71073","MoKα","","0.0505","0.0476","","","0.1361","0.1389","","","","","","1.07","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023262","14.073","0.002","15.623","0.003","18.459","0.003","90","","90","","90","","4058.4","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N5 O6 P Zn -","- C14 H20 N5 O6 P Zn -","- C112 H160 N40 O48 P8 Zn8 -","8","1","","Gupta, Arvind K.; Nagarkar, Sanjog S.; Boomishankar, Ramamoorthy","Zn(II) coordination polymer of an in situ generated 4-pyridyl (4Py) attached bis(amido)phosphate ligand, [PO2(NH4Py)2]- showing preferential water uptake over aliphatic alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10964","10970","10.1039/c3dt51123e","","","0.71073","MoKα","","0.1046","0.0499","","","0.1044","0.1302","","","","","","1.001","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023263","14.135","0.002","15.42","0.003","18.524","0.003","90","","90","","90","","4037.5","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N4 O6 P Zn -","- C11 H11 N4 O6 P Zn -","- C88 H88 N32 O48 P8 Zn8 -","8","1","","Gupta, Arvind K.; Nagarkar, Sanjog S.; Boomishankar, Ramamoorthy","Zn(II) coordination polymer of an in situ generated 4-pyridyl (4Py) attached bis(amido)phosphate ligand, [PO2(NH4Py)2]- showing preferential water uptake over aliphatic alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10964","10970","10.1039/c3dt51123e","","","0.71073","MoKα","","0.0889","0.0598","","","0.1557","0.17","","","","","","1.102","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023264","14.135","0.002","15.42","0.003","18.524","0.003","90","","90","","90","","4037.5","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 N4 O6 P Zn -","- C11 H11 N4 O4 P Zn -","- C88 H88 N32 O32 P8 Zn8 -","8","1","","Gupta, Arvind K.; Nagarkar, Sanjog S.; Boomishankar, Ramamoorthy","Zn(II) coordination polymer of an in situ generated 4-pyridyl (4Py) attached bis(amido)phosphate ligand, [PO2(NH4Py)2]- showing preferential water uptake over aliphatic alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10964","10970","10.1039/c3dt51123e","","","0.71073","MoKα","","0.0706","0.0455","","","0.1088","0.1169","","","","","","1.036","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023265","11.5224","0.0015","13.9","0.0019","11.7135","0.0016","90","","103.699","0.003","90","","1822.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N5 O6 P Zn -","- C14 H20 N5 O6 P Zn -","- C56 H80 N20 O24 P4 Zn4 -","4","1","","Gupta, Arvind K.; Nagarkar, Sanjog S.; Boomishankar, Ramamoorthy","Zn(II) coordination polymer of an in situ generated 4-pyridyl (4Py) attached bis(amido)phosphate ligand, [PO2(NH4Py)2]- showing preferential water uptake over aliphatic alcohols.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10964","10970","10.1039/c3dt51123e","","","0.71073","MoKα","","0.0721","0.047","","","0.1081","0.1194","","","","","","1.031","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023266","34.6741","0.0008","9.9071","0.0002","19.1591","0.0003","90","","111.585","0.0012","90","","6120","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H40 B12 Cl2 N4 -","- C23 H40 B12 Cl2 N4 -","- C184 H320 B96 Cl16 N32 -","8","1","","Weber, Lothar; Kahlert, Jan; Brockhinke, Regina; Böhling, Lena; Halama, Johannes; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Nervi, Carlo; Harder, Rachel A.; Fox, Mark A.","C,C'-bis(benzodiazaborolyl)dicarba-closo-dodecaboranes: synthesis, structures, photophysics and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10982","10996","10.1039/c3dt51125a","","","0.71073","MoKα","","0.0544","0.0405","","","0.1","0.1078","","","","","","1.035","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023267","11.2437","0.0001","21.5876","0.0003","16.9579","0.0002","90","","102.737","0.0006","90","","4014.82","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H40 B12 Cl2 N4 -","- C38 H38 B12 N4 -","- C152 H152 B48 N16 -","4","1","","Weber, Lothar; Kahlert, Jan; Brockhinke, Regina; Böhling, Lena; Halama, Johannes; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Nervi, Carlo; Harder, Rachel A.; Fox, Mark A.","C,C'-bis(benzodiazaborolyl)dicarba-closo-dodecaboranes: synthesis, structures, photophysics and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10982","10996","10.1039/c3dt51125a","","","0.71073","MoKα","","0.1053","0.0759","","","0.2171","0.2362","","","","","","1.071","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023268","17.4183","0.0001","8.8992","0.0001","17.3063","0.0001","90","","91.6578","0.0004","90","","2681.51","0.04","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 B12 N4 -","- C22 H38 B12 N4 -","- C88 H152 B48 N16 -","4","0.5","","Weber, Lothar; Kahlert, Jan; Brockhinke, Regina; Böhling, Lena; Halama, Johannes; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Nervi, Carlo; Harder, Rachel A.; Fox, Mark A.","C,C'-bis(benzodiazaborolyl)dicarba-closo-dodecaboranes: synthesis, structures, photophysics and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10982","10996","10.1039/c3dt51125a","","","0.71073","MoKα","","0.0397","0.0381","","","0.1042","0.1056","","","","","","1.042","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023269","17.027","0.0008","11.1965","0.0006","19.2084","0.001","90","","100.629","0.003","90","","3599.1","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H38 B12 N4 -","- C38 H38 B12 N4 -","- C152 H152 B48 N16 -","4","0.5","","Weber, Lothar; Kahlert, Jan; Brockhinke, Regina; Böhling, Lena; Halama, Johannes; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Nervi, Carlo; Harder, Rachel A.; Fox, Mark A.","C,C'-bis(benzodiazaborolyl)dicarba-closo-dodecaboranes: synthesis, structures, photophysics and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10982","10996","10.1039/c3dt51125a","","","0.71073","MoKα","","0.0777","0.0499","","","0.111","0.1248","","","","","","1.025","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023270","29.3487","0.0016","24.8869","0.0012","22.5365","0.0011","90","","130.554","0.003","90","","12506.7","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C118 H122 B36 Cl8 N12 -","- C118 H122 B36 Cl8 N12 -","- C472 H488 B144 Cl32 N48 -","4","0.5","","Weber, Lothar; Kahlert, Jan; Brockhinke, Regina; Böhling, Lena; Halama, Johannes; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Nervi, Carlo; Harder, Rachel A.; Fox, Mark A.","C,C'-bis(benzodiazaborolyl)dicarba-closo-dodecaboranes: synthesis, structures, photophysics and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10982","10996","10.1039/c3dt51125a","","","0.71073","MoKα","","0.0837","0.0703","","","0.1976","0.2173","","","","","","1.063","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023271","18.3607","0.0006","18.3607","0.0006","27.8834","0.0011","90","","90","","120","","8140.6","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C22 H23 B N2 -","- C22 H23 B N2 -","- C396 H414 B18 N36 -","18","1","","Weber, Lothar; Kahlert, Jan; Brockhinke, Regina; Böhling, Lena; Halama, Johannes; Brockhinke, Andreas; Stammler, Hans-Georg; Neumann, Beate; Nervi, Carlo; Harder, Rachel A.; Fox, Mark A.","C,C'-bis(benzodiazaborolyl)dicarba-closo-dodecaboranes: synthesis, structures, photophysics and electrochemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10982","10996","10.1039/c3dt51125a","","","0.71073","MoKα","","0.1024","0.0489","","","0.0992","0.1238","","","","","","1.009","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023272","10.559","0.002","14.678","0.003","15.214","0.003","112.82","0.03","91.85","0.03","101.76","0.03","2111.5","0.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Br8 O12 Zn4 -","- C24 H48 Br8 O12 Zn4 -","- C48 H96 Br16 O24 Zn8 -","2","1","","Hausmann, David; Feldmann, Claus","The chain-like polynuclear coordination compounds (ZnBr2)n(18-crown-6)2 (n = 4, 6, 8, 10) and [Zn5Br9][N(Tf2)].","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13487","13494","10.1039/c3dt51130h","","","0.71073","MoKα","","0.0592","0.0451","","","0.1076","0.1141","","","","","","0.959","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023273","8.1203","0.0016","10.887","0.002","14.851","0.003","79.16","0.03","74.99","0.03","79.78","0.03","1234","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Br12 O12 Zn6 -","- C24 H48 Br12 O12 Zn6 -","- C24 H48 Br12 O12 Zn6 -","1","0.5","","Hausmann, David; Feldmann, Claus","The chain-like polynuclear coordination compounds (ZnBr2)n(18-crown-6)2 (n = 4, 6, 8, 10) and [Zn5Br9][N(Tf2)].","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13487","13494","10.1039/c3dt51130h","","","0.71073","MoKα","","0.0604","0.0369","","","0.0817","0.0895","","","","","","0.923","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023274","7.6801","0.0015","12.809","0.003","29.307","0.006","90","","90.41","0.03","90","","2883","1.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 Br16 O12 Zn8 -","- C24 H48 Br16 O12 Zn8 -","- C48 H96 Br32 O24 Zn16 -","2","0.5","","Hausmann, David; Feldmann, Claus","The chain-like polynuclear coordination compounds (ZnBr2)n(18-crown-6)2 (n = 4, 6, 8, 10) and [Zn5Br9][N(Tf2)].","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13487","13494","10.1039/c3dt51130h","","","0.71073","MoKα","","0.065","0.0414","","","0.0893","0.0968","","","","","","0.934","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023275","7.4651","0.0015","12.263","0.003","17.91","0.004","101.09","0.03","93.9","0.03","90.42","0.03","1604.9","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H48 Br20 O12 Zn10 -","- C24 H48 Br20 O12 Zn10 -","- C24 H48 Br20 O12 Zn10 -","1","0.5","","Hausmann, David; Feldmann, Claus","The chain-like polynuclear coordination compounds (ZnBr2)n(18-crown-6)2 (n = 4, 6, 8, 10) and [Zn5Br9][N(Tf2)].","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13487","13494","10.1039/c3dt51130h","","","0.71073","MoKα","","0.0788","0.0472","","","0.1045","0.117","","","","","","0.978","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023276","16.13","0.003","10.592","0.002","15.477","0.003","90","","102.88","0.03","90","","2577.7","0.9","200","2","200","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C26 H48 Br9 F6 N O16 S2 Zn5 -","- C26 H48 Br9 F6 N O16 S2 Zn5 -","- C52 H96 Br18 F12 N2 O32 S4 Zn10 -","2","1","","Hausmann, David; Feldmann, Claus","The chain-like polynuclear coordination compounds (ZnBr2)n(18-crown-6)2 (n = 4, 6, 8, 10) and [Zn5Br9][N(Tf2)].","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13487","13494","10.1039/c3dt51130h","","","0.71073","MoKα","","0.0455","0.0413","","","0.1007","0.1029","","","","","","1.011","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023277","11.6508","0.0004","16.9627","0.0006","20.691","0.0007","90","","90","","90","","4089.1","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","[Mn4]","","","- C35 H44 Mn4 N3 O16 -","- C35 H44 Mn4 N3 O16 -","- C140 H176 Mn16 N12 O64 -","4","1","","Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F.","Homo- and heterometallic planes, chains and cubanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10315","10325","10.1039/c3dt51131f","","","0.7107","MoKα","","0.0863","0.0544","","","0.0946","0.1168","","","","","","1.001","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023278","22.187","0.003","22.187","0.003","9.5524","0.0019","90","","90","","90","","4702.3","1.3","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","[Ni4(OMe)4(L2)4(MeOH)4]","","","- C40 H60 N4 Ni4 O16 -","- C40 H60 N4 Ni4 O16 -","- C160 H240 N16 Ni16 O64 -","4","0.25","","Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F.","Homo- and heterometallic planes, chains and cubanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10315","10325","10.1039/c3dt51131f","","","0.7107","MoKα","","0.089","0.0572","","","0.1018","0.1184","","","","","","0.811","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023279","14.731","0.003","12.851","0.003","9.6901","0.0019","90","","106.66","0.03","90","","1757.4","0.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mn(immp)2(Cl)]n","","","- C18 H20 Cl Mn N2 O4 -","- C18 H20 Cl Mn N2 O4 -","- C72 H80 Cl4 Mn4 N8 O16 -","4","0.5","","Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F.","Homo- and heterometallic planes, chains and cubanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10315","10325","10.1039/c3dt51131f","","","0.7107","MoKα","","0.0744","0.0665","","","0.1627","0.1716","","","","","","1.067","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023280","11.6905","0.0005","11.156","0.0005","19.0629","0.0009","90","","93.391","0.004","90","","2481.82","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Na2Fe2(OMe)2(L1)4(NO3)2].2MeOH","","","- C40 H52 Fe2 N6 Na2 O18 -","- C40 H52 Fe2 N6 Na2 O18 -","- C80 H104 Fe4 N12 Na4 O36 -","2","0.5","","Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F.","Homo- and heterometallic planes, chains and cubanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10315","10325","10.1039/c3dt51131f","","","0.7107","MoKα","","0.1581","0.0996","","","0.2439","0.2723","","","","","","1.082","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023281","13.808","0.002","13.808","0.002","17.308","0.004","90","","90","","120","","2857.8","0.9","150","2","150","2","","","","","","","","7","P -3","-P 3","147","[Na3Ni2(L)6](ClO4)","","","- C54 H60 Cl N6 Na3 Ni2 O16 -","- C54 H60 Cl N6 Na3 Ni2 O16 -","- C108 H120 Cl2 N12 Na6 Ni4 O32 -","2","0.333333","","Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F.","Homo- and heterometallic planes, chains and cubanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10315","10325","10.1039/c3dt51131f","","","0.7107","MoKα","","0.1302","0.1108","","","0.2411","0.2471","","","","","","1.288","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023282","11.663","0.002","11.884","0.002","15.975","0.003","90","","98.72","0.03","90","","2188.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Na2Ni2(N3)2(immp)4(MeCN)2]","","","- C40 H46 N12 Na2 Ni2 O8 -","- C40 H46 N12 Na2 Ni2 O8 -","- C80 H92 N24 Na4 Ni4 O16 -","2","0.5","","Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F.","Homo- and heterometallic planes, chains and cubanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10315","10325","10.1039/c3dt51131f","","","0.7107","MoKα","","0.0305","0.0255","","","0.0651","0.0674","","","","","","1.108","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023283","12.5365","0.0004","13.4673","0.0004","10.0304","0.0003","90","","112.575","0.002","90","","1563.7","0.09","149","2","149","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Al Cl2 N3 -","- C12 H22 Al Cl2 N3 -","- C48 H88 Al4 Cl8 N12 -","4","1","","Liu, Pei-Hsin; Chuang, Fu-Jung; Tu, Cheng-Yi; Hu, Ching-Han; Lin, Tzu-Wei; Wang, Yu-Tang; Lin, Chia-Her; Datta, Amitabha; Huang, Jui-Hsien","Aluminum complexes incorporating symmetrical and asymmetrical tridentate pincer type pyrrolyl ligands: synthesis, characterization and reactivity study.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13754","13764","10.1039/c3dt51133b","","","0.71073","MoKα","","0.042","0.033","","","0.0862","0.0939","","","","","","1.052","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023284","13.7242","0.0004","14.892","0.0004","17.5053","0.0005","90","","100.697","0.001","90","","3515.57","0.17","149","2","149","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H26 Al Cl2 N3 -","- C14 H26 Al Cl2 N3 -","- C112 H208 Al8 Cl16 N24 -","8","2","","Liu, Pei-Hsin; Chuang, Fu-Jung; Tu, Cheng-Yi; Hu, Ching-Han; Lin, Tzu-Wei; Wang, Yu-Tang; Lin, Chia-Her; Datta, Amitabha; Huang, Jui-Hsien","Aluminum complexes incorporating symmetrical and asymmetrical tridentate pincer type pyrrolyl ligands: synthesis, characterization and reactivity study.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13754","13764","10.1039/c3dt51133b","","","0.71073","MoKα","","0.0303","0.0267","","","0.0656","0.0674","","","","","","1.03","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023285","8.8099","0.0005","9.5732","0.0005","12.5602","0.0007","87.19","0.004","86.082","0.004","76.421","0.003","1026.7","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H30 Al Cl N4 -","- C19 H30 Al Cl N4 -","- C38 H60 Al2 Cl2 N8 -","2","1","","Liu, Pei-Hsin; Chuang, Fu-Jung; Tu, Cheng-Yi; Hu, Ching-Han; Lin, Tzu-Wei; Wang, Yu-Tang; Lin, Chia-Her; Datta, Amitabha; Huang, Jui-Hsien","Aluminum complexes incorporating symmetrical and asymmetrical tridentate pincer type pyrrolyl ligands: synthesis, characterization and reactivity study.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13754","13764","10.1039/c3dt51133b","","","0.71073","MoKα","","0.0767","0.047","","","0.1188","0.1345","","","","","","1.011","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023286","11.5583","0.0007","11.9274","0.0008","18.6239","0.0016","98.218","0.005","104.901","0.005","107.932","0.004","2290.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H34 Al Cl N4 -","- C21 H34 Al Cl N4 -","- C84 H136 Al4 Cl4 N16 -","4","2","","Liu, Pei-Hsin; Chuang, Fu-Jung; Tu, Cheng-Yi; Hu, Ching-Han; Lin, Tzu-Wei; Wang, Yu-Tang; Lin, Chia-Her; Datta, Amitabha; Huang, Jui-Hsien","Aluminum complexes incorporating symmetrical and asymmetrical tridentate pincer type pyrrolyl ligands: synthesis, characterization and reactivity study.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13754","13764","10.1039/c3dt51133b","","","0.71073","MoKα","","0.0999","0.0495","","","0.1224","0.1508","","","","","","1.003","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023287","9.6058","0.0017","27.908","0.005","10.519","0.002","90","","104.168","0.012","90","","2734.1","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 Al N3 O2 -","- C28 H40 Al N3 O2 -","- C112 H160 Al4 N12 O8 -","4","1","","Liu, Pei-Hsin; Chuang, Fu-Jung; Tu, Cheng-Yi; Hu, Ching-Han; Lin, Tzu-Wei; Wang, Yu-Tang; Lin, Chia-Her; Datta, Amitabha; Huang, Jui-Hsien","Aluminum complexes incorporating symmetrical and asymmetrical tridentate pincer type pyrrolyl ligands: synthesis, characterization and reactivity study.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13754","13764","10.1039/c3dt51133b","","","0.71073","MoKα","","0.1055","0.0607","","","0.1808","0.2063","","","","","","1.004","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023288","33.541","0.004","10.5578","0.0013","28.08","0.004","90","","102.422","0.008","90","","9711","2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H42 Al N5 -","- C20 H42 Al N5 -","- C320 H672 Al16 N80 -","16","4","","Liu, Pei-Hsin; Chuang, Fu-Jung; Tu, Cheng-Yi; Hu, Ching-Han; Lin, Tzu-Wei; Wang, Yu-Tang; Lin, Chia-Her; Datta, Amitabha; Huang, Jui-Hsien","Aluminum complexes incorporating symmetrical and asymmetrical tridentate pincer type pyrrolyl ligands: synthesis, characterization and reactivity study.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13754","13764","10.1039/c3dt51133b","","","0.71073","MoKα","","0.1817","0.0711","","","0.1619","0.214","","","","","","0.876","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023289","11.6676","0.0011","11.1033","0.0009","12.7218","0.0011","90","","99.842","0.004","90","","1623.8","0.2","149","2","149","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 Al N3 -","- C14 H28 Al N3 -","- C56 H112 Al4 N12 -","4","1","","Liu, Pei-Hsin; Chuang, Fu-Jung; Tu, Cheng-Yi; Hu, Ching-Han; Lin, Tzu-Wei; Wang, Yu-Tang; Lin, Chia-Her; Datta, Amitabha; Huang, Jui-Hsien","Aluminum complexes incorporating symmetrical and asymmetrical tridentate pincer type pyrrolyl ligands: synthesis, characterization and reactivity study.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13754","13764","10.1039/c3dt51133b","","","0.71073","MoKα","","0.0484","0.0398","","","0.1091","0.1164","","","","","","1.038","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023290","11.2028","0.0004","17.9524","0.0006","11.7448","0.0004","90","","112.398","0.002","90","","2183.88","0.13","149","2","149","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H37 Al2 N3 -","- C17 H37 Al2 N3 -","- C68 H148 Al8 N12 -","4","1","","Liu, Pei-Hsin; Chuang, Fu-Jung; Tu, Cheng-Yi; Hu, Ching-Han; Lin, Tzu-Wei; Wang, Yu-Tang; Lin, Chia-Her; Datta, Amitabha; Huang, Jui-Hsien","Aluminum complexes incorporating symmetrical and asymmetrical tridentate pincer type pyrrolyl ligands: synthesis, characterization and reactivity study.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13754","13764","10.1039/c3dt51133b","","","0.71073","MoKα","","0.049","0.0356","","","0.091","0.099","","","","","","1.035","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023291","8.525","0.002","11.534","0.002","12.736","0.003","65.054","0.012","86.17","0.015","75.424","0.015","1097.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H34 Al N3 O -","- C21 H34 Al N3 O -","- C42 H68 Al2 N6 O2 -","2","1","","Liu, Pei-Hsin; Chuang, Fu-Jung; Tu, Cheng-Yi; Hu, Ching-Han; Lin, Tzu-Wei; Wang, Yu-Tang; Lin, Chia-Her; Datta, Amitabha; Huang, Jui-Hsien","Aluminum complexes incorporating symmetrical and asymmetrical tridentate pincer type pyrrolyl ligands: synthesis, characterization and reactivity study.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13754","13764","10.1039/c3dt51133b","","","0.71073","MoKα","","0.0955","0.0538","","","0.1418","0.1629","","","","","","1.015","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023292","9.34","0.004","21.36","0.008","12.639","0.005","90","","107.88","0.02","90","","2399.7","1.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Al N3 O -","- C24 H38 Al N3 O -","- C96 H152 Al4 N12 O4 -","4","1","","Liu, Pei-Hsin; Chuang, Fu-Jung; Tu, Cheng-Yi; Hu, Ching-Han; Lin, Tzu-Wei; Wang, Yu-Tang; Lin, Chia-Her; Datta, Amitabha; Huang, Jui-Hsien","Aluminum complexes incorporating symmetrical and asymmetrical tridentate pincer type pyrrolyl ligands: synthesis, characterization and reactivity study.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13754","13764","10.1039/c3dt51133b","","","0.71073","MoKα","","0.1432","0.0723","","","0.1836","0.2293","","","","","","0.975","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023293","10.0799","0.0004","9.1672","0.0004","30.4276","0.0013","90","","93.08","0.001","90","","2807.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl3 N2 P Pt -","- C28 H28 Cl3 N2 P Pt -","- C112 H112 Cl12 N8 P4 Pt4 -","4","1","","Anisimova, Tatyana B.; Bokach, Nadezhda A.; Dolgushin, Fedor M.; Kukushkin, Vadim Yu","Dialkylcyanamides are more reactive substrates toward metal-mediated nucleophilic addition than alkylcyanides.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12460","12467","10.1039/c3dt51137e","","","0.71073","MoKα","","0.0471","0.0363","","","0.0644","0.0681","","","","","","1.079","","","","has coordinates,has disorder","179937","2020-10-21","18:00:00",""
"7023294","15.3342","0.0004","16.9161","0.0005","17.3028","0.0008","97.768","0.002","107.154","0.002","115.773","0.001","3676.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C142 H122 Co16 N16 O41 -","- C140 H114 Co16 N16 O39 -","- C140 H114 Co16 N16 O39 -","1","0.5","","Cao, Yanyuan; Chen, Yanmei; Li, Lei; Gao, Dandan; Liu, Wei; Hu, Hailiang; Li, Wu; Li, Yahong","A Co16 cluster and a 1-D Mn chain complex supported by benzohydroxamic acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10912","10918","10.1039/c3dt51140e","","","0.71073","MoKα","","0.145","0.0722","","","0.211","0.2411","","","","","","0.898","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023295","15.528","0.004","17.993","0.005","6.5946","0.0016","90","","90","","90","","1842.5","0.8","296","2","296","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C16 H20 Mn N2 O6 -","- C16 H20 Mn N2 O6 -","- C64 H80 Mn4 N8 O24 -","4","0.5","","Cao, Yanyuan; Chen, Yanmei; Li, Lei; Gao, Dandan; Liu, Wei; Hu, Hailiang; Li, Wu; Li, Yahong","A Co16 cluster and a 1-D Mn chain complex supported by benzohydroxamic acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10912","10918","10.1039/c3dt51140e","","","0.71073","MoKα","","0.0537","0.0409","","","0.1053","0.1155","","","","","","1.038","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023296","11.1144","0.0008","10.4303","0.0008","22.0911","0.0017","90","","96.012","0.002","90","","2546.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3.5 H2.62 Co0.19 N0.37 O0.75 -","- C3.5 H2.625 Co0.1875 N0.375 O0.75 -","- C112 H84 Co6 N12 O24 -","32","8","","Cao, Yanyuan; Chen, Yanmei; Li, Lei; Gao, Dandan; Liu, Wei; Hu, Hailiang; Li, Wu; Li, Yahong","A Co16 cluster and a 1-D Mn chain complex supported by benzohydroxamic acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10912","10918","10.1039/c3dt51140e","","","0.71073","MoKα","","0.0689","0.0411","","","0.1077","0.1313","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023297","9.694","0.0006","16.1252","0.001","19.7229","0.0012","90","","90","","90","","3083","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H30 I N2 O P -","- C36 H30 I N2 O P -","- C144 H120 I4 N8 O4 P4 -","4","1","","Gu, Peng; Zhang, Jun; Xu, Qin; Shi, Min","Synthesis of iridium and rhodium complexes with new chiral phosphine-NHC ligands based on 1,1'-binaphthyl framework and their application in asymmetric hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13599","13606","10.1039/c3dt51141c","","","0.71073","MoKα","","0.0768","0.063","","","0.1634","0.176","","","","","","1.023","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023298","17.469","0.0012","19.7716","0.0014","19.8753","0.0014","90","","90","","90","","6864.7","0.8","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C76 H51 B F24 Ir N2 P -","- C76 H51 B F24 Ir N2 P -","- C304 H204 B4 F96 Ir4 N8 P4 -","4","1","","Gu, Peng; Zhang, Jun; Xu, Qin; Shi, Min","Synthesis of iridium and rhodium complexes with new chiral phosphine-NHC ligands based on 1,1'-binaphthyl framework and their application in asymmetric hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13599","13606","10.1039/c3dt51141c","","","0.71073","MoKα","","0.0355","0.0287","","","0.0732","0.0767","","","","","","1.012","","","","has coordinates","179937","2020-10-21","18:00:00",""
"7023299","21.6714","0.0007","18.3557","0.0006","17.4348","0.0005","90","","95.03","0.002","90","","6908.7","0.4","120","0.1","120","0.1","","","","","","","Nicola Bell","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H57 B2 F18 N17 P3 Ru S6 -","- C40 H57 B2 F18 N17 P3 Ru S6 -","- C160 H228 B8 F72 N68 P12 Ru4 S24 -","4","1","","Bailey, Philip J.; Bell, Nicola L.; Nichol, Gary S.","Homoleptic 'sandwich' complexes of substituted tris(methimazolyl)borate ligands with ruthenium, rhodium and palladium.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11281","11294","10.1039/c3dt51150b","","","1.54184","CuKα","","0.1267","0.0894","","","0.2466","0.2696","","","","","","1.071","","","","has coordinates,has disorder","209454","2020-10-21","18:00:00",""
"7023300","10.4293","0.0002","25.9269","0.0004","17.5308","0.0003","90","","102.999","0.002","90","","4618.84","0.14","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C74 H78 B2 F18 N16 P3 Ru S6 -","- C74 H78 B2 F18 N16 P3 Ru S6 -","- C148 H156 B4 F36 N32 P6 Ru2 S12 -","2","0.5","","Bailey, Philip J.; Bell, Nicola L.; Nichol, Gary S.","Homoleptic 'sandwich' complexes of substituted tris(methimazolyl)borate ligands with ruthenium, rhodium and palladium.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11281","11294","10.1039/c3dt51150b","","","1.54184","CuKα","","0.0848","0.0754","","","0.2125","0.2246","","","","","","1.052","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023301","9.7354","0.0003","9.9613","0.0003","16.6355","0.0007","99.986","0.003","91.995","0.003","90.774","0.003","1587.55","0.1","120","0.1","120","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C42 H56 B2 F18 N18 P3 Rh S6 -","- C42 H56 B2 F18 N18 P3 Rh S6 -","- C42 H56 B2 F18 N18 P3 Rh S6 -","1","0.5","","Bailey, Philip J.; Bell, Nicola L.; Nichol, Gary S.","Homoleptic 'sandwich' complexes of substituted tris(methimazolyl)borate ligands with ruthenium, rhodium and palladium.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11281","11294","10.1039/c3dt51150b","","","1.54184","CuKα","","0.028","0.0277","","","0.0747","0.0749","","","","","","1.054","","","","has coordinates","209454","2020-10-21","18:00:00",""
"7023302","15.2678","0.0005","11.8506","0.0004","17.0134","0.0008","90","","92.756","0.004","90","","3074.7","0.2","120","0.1","120","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 B2 Cl18 N14 Pd S6 -","- C32 H36 B2 Cl18 N14 Pd S6 -","- C64 H72 B4 Cl36 N28 Pd2 S12 -","2","0.5","","Bailey, Philip J.; Bell, Nicola L.; Nichol, Gary S.","Homoleptic 'sandwich' complexes of substituted tris(methimazolyl)borate ligands with ruthenium, rhodium and palladium.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11281","11294","10.1039/c3dt51150b","","","0.71073","MoKα","","0.0843","0.0473","","","0.0903","0.1069","","","","","","1.019","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023303","8.823","0.005","9.225","0.005","10.639","0.005","83.287","0.005","83.219","0.005","84.359","0.005","850.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Fe2 N4 O6 -","- C38 H38 Fe2 N4 O6 -","- C38 H38 Fe2 N4 O6 -","1","0.5","","Biswas, Rituparna; Diaz, Carmen; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Synthesis, crystal structure, magnetic property and DFT calculations of an unusual dinuclear μ2-alkoxido bridged iron(III) complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12274","12283","10.1039/c3dt51153g","","","0.71073","MoKα","","0.0438","0.0364","","","0.0991","0.1087","","","","","","1.064","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023304","11.139","0.005","14.648","0.005","22.488","0.005","90","0.005","95.343","0.005","90","0.005","3653","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H36 Fe2 N6 O6 -","- C38 H36 Fe2 N6 O6 -","- C152 H144 Fe8 N24 O24 -","4","1","","Biswas, Rituparna; Diaz, Carmen; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh","Synthesis, crystal structure, magnetic property and DFT calculations of an unusual dinuclear μ2-alkoxido bridged iron(III) complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12274","12283","10.1039/c3dt51153g","","","0.71073","MoKα","","0.0563","0.037","","","0.0964","0.1083","","","","","","1.038","","","","has coordinates","288645","2024-01-03","15:04:00",""
"7023305","13.136","0.001","13.406","0.001","13.761","0.001","115.669","0.001","95.441","0.001","95.918","0.001","2146.1","0.3","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 O0.5 Zr -","- C28 H26 O0.5 Zr -","- C112 H104 O2 Zr4 -","4","2","","Bousrez, Guillaume; Jaroschik, Florian; Martinez, Agathe; Harakat, Dominique; Nicolas, Emmanuel; Le Goff, Xavier F.; Szymoniak, Jan","Reactivity differences between 2,4- and 2,5-disubstituted zirconacyclopentadienes: a highly selective and general approach to 2,4-disubstituted phospholes.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10997","11004","10.1039/c3dt51158h","","","0.71069","MoKα","","0.0448","0.0375","","","0.0789","0.0841","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023306","5.884","0.001","8.898","0.001","30.968","0.001","90","","96.658","0.002","90","","1610.4","0.3","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 P -","- C22 H17 P -","- C88 H68 P4 -","4","1","","Bousrez, Guillaume; Jaroschik, Florian; Martinez, Agathe; Harakat, Dominique; Nicolas, Emmanuel; Le Goff, Xavier F.; Szymoniak, Jan","Reactivity differences between 2,4- and 2,5-disubstituted zirconacyclopentadienes: a highly selective and general approach to 2,4-disubstituted phospholes.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10997","11004","10.1039/c3dt51158h","","","0.71069","MoKα","","0.0522","0.0462","","","0.1149","0.1199","","","","","","1.055","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023307","12.079","0.001","5.832","0.001","12.562","0.001","90","","115.528","0.001","90","","798.54","0.16","150","0.1","150","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H17 P -","- C22 H17 P -","- C44 H34 P2 -","2","1","","Bousrez, Guillaume; Jaroschik, Florian; Martinez, Agathe; Harakat, Dominique; Nicolas, Emmanuel; Le Goff, Xavier F.; Szymoniak, Jan","Reactivity differences between 2,4- and 2,5-disubstituted zirconacyclopentadienes: a highly selective and general approach to 2,4-disubstituted phospholes.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10997","11004","10.1039/c3dt51158h","","","0.71069","MoKα","","0.0378","0.0359","","","0.0788","0.0806","","","","","","1.064","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023308","11.7278","0.0001","12.5536","0.0001","18.5962","0.0002","90","","90","","90","","2737.85","0.04","293","2","293","2","","","","","","","synthesis","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 Cl2 N6 O2 P Ru -","- C23 H35 Cl2 N6 O2 P Ru -","- C92 H140 Cl8 N24 O8 P4 Ru4 -","4","1","","Menéndez-Pedregal, Estefania; Díez, Josefina; Manteca, Ángel; Sánchez, Jesús; Bento, Ana C.; García-Navas, Rósula; Mollinedo, Faustino; Gamasa, M. Pilar; Lastra, Elena","Antitumor activity of new enantiopure pybox-ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13955","13967","10.1039/c3dt51160j","","","1.5418","CuKα","","0.0384","0.0364","","","0.0998","0.1062","","","","","","1.089","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023309","10.5635","0.0001","14.7654","0.0001","11.8752","0.0001","90","","107.283","0.001","90","","1768.6","0.03","293","2","293","2","","","","","","","synthesis","7","P 1 21 1","P 2yb","4","","","","- C30 H34 Cl5 N6 O2 P Ru -","- C30 H34 Cl5 N6 O2 P Ru -","- C60 H68 Cl10 N12 O4 P2 Ru2 -","2","1","","Menéndez-Pedregal, Estefania; Díez, Josefina; Manteca, Ángel; Sánchez, Jesús; Bento, Ana C.; García-Navas, Rósula; Mollinedo, Faustino; Gamasa, M. Pilar; Lastra, Elena","Antitumor activity of new enantiopure pybox-ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13955","13967","10.1039/c3dt51160j","","","1.54184","CuKα","","0.0441","0.0376","","","0.0974","0.116","","","","","","1.103","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023310","13.5047","0.0002","23.249","0.0005","24.3739","0.0004","90","","90","","90","","7652.7","0.2","293","2","293","2","","","","","","","synthesis","8","C 2 2 21","C 2c 2","20","","","","- C24 H38 Cl2 I N6 O2 P Ru -","- C24 H38 Cl2 I N6 O2 P Ru -","- C192 H304 Cl16 I8 N48 O16 P8 Ru8 -","8","1","","Menéndez-Pedregal, Estefania; Díez, Josefina; Manteca, Ángel; Sánchez, Jesús; Bento, Ana C.; García-Navas, Rósula; Mollinedo, Faustino; Gamasa, M. Pilar; Lastra, Elena","Antitumor activity of new enantiopure pybox-ruthenium complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13955","13967","10.1039/c3dt51160j","","","1.54184","CuKα","","0.0555","0.0502","","","0.1395","0.1446","","","","","","1.055","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023311","10.5225","0.0006","13.9073","0.0008","12.1959","0.0007","90","","92.356","0.001","90","","1783.23","0.18","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 I N4 O2 Ru -","- C16 H13 I N4 O2 Ru -","- C64 H52 I4 N16 O8 Ru4 -","4","1","","Naziruddin, Abbas Raja; Huang, Zhao-Jiunn; Lai, Wei-Chih; Lin, Wan-Jung; Hwang, Wen-Shu","Ruthenium(II) carbonyl complexes bearing CCC-pincer bis-(carbene) ligands: synthesis, structures and activities toward recycle transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13161","13171","10.1039/c3dt51161h","","","0.71073","MoKα","","0.0474","0.0362","","","0.1008","0.1087","","","","","","1.067","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023312","13.5343","0.0007","16.315","0.0008","20.324","0.001","90","","90","","90","","4487.8","0.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H25 Br N4 O2 Ru -","- C22 H25 Br N4 O2 Ru -","- C176 H200 Br8 N32 O16 Ru8 -","8","1","","Naziruddin, Abbas Raja; Huang, Zhao-Jiunn; Lai, Wei-Chih; Lin, Wan-Jung; Hwang, Wen-Shu","Ruthenium(II) carbonyl complexes bearing CCC-pincer bis-(carbene) ligands: synthesis, structures and activities toward recycle transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13161","13171","10.1039/c3dt51161h","","","0.71073","MoKα","","0.0607","0.0416","","","0.1071","0.1171","","","","","","1.055","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023313","8.2596","0.0002","11.7151","0.0003","11.9249","0.0003","79.489","0.001","70.502","0.001","88.663","0.001","1068.58","0.05","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H16 F6 N5 O2 P Ru -","- C18 H16 F6 N5 O2 P Ru -","- C36 H32 F12 N10 O4 P2 Ru2 -","2","1","","Naziruddin, Abbas Raja; Huang, Zhao-Jiunn; Lai, Wei-Chih; Lin, Wan-Jung; Hwang, Wen-Shu","Ruthenium(II) carbonyl complexes bearing CCC-pincer bis-(carbene) ligands: synthesis, structures and activities toward recycle transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13161","13171","10.1039/c3dt51161h","","","0.71073","MoKα","","0.0408","0.0339","","","0.0885","0.0945","","","","","","1.028","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023314","8.6684","0.0004","11.7651","0.0005","15.6709","0.0006","84.505","0.002","89.649","0.002","81.02","0.002","1571.28","0.12","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H31 F6 N6 O2 P Ru -","- C26 H31 F6 N6 O2 P Ru -","- C52 H62 F12 N12 O4 P2 Ru2 -","2","1","","Naziruddin, Abbas Raja; Huang, Zhao-Jiunn; Lai, Wei-Chih; Lin, Wan-Jung; Hwang, Wen-Shu","Ruthenium(II) carbonyl complexes bearing CCC-pincer bis-(carbene) ligands: synthesis, structures and activities toward recycle transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13161","13171","10.1039/c3dt51161h","","","0.71073","MoKα","","0.058","0.0405","","","0.1063","0.1161","","","","","","1.026","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023315","8.2987","0.0012","38.281","0.005","8.8978","0.0013","90","","92.463","0.004","90","","2824.1","0.7","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C45 H50 F12 N14 O3 P2 Ru2 -","- C45 H50 F12 N14 O3 P2 Ru2 -","- C90 H100 F24 N28 O6 P4 Ru4 -","2","1","","Naziruddin, Abbas Raja; Huang, Zhao-Jiunn; Lai, Wei-Chih; Lin, Wan-Jung; Hwang, Wen-Shu","Ruthenium(II) carbonyl complexes bearing CCC-pincer bis-(carbene) ligands: synthesis, structures and activities toward recycle transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13161","13171","10.1039/c3dt51161h","","","0.71073","MoKα","","0.0443","0.0409","","","0.0912","0.0931","","","","","","1.067","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023316","12.3335","0.0003","8.1254","0.0002","25.8414","0.0007","90","","102.398","0.001","90","","2529.29","0.11","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 F6 N6 O2 P Ru -","- C22 H21 F6 N6 O2 P Ru -","- C88 H84 F24 N24 O8 P4 Ru4 -","4","1","","Naziruddin, Abbas Raja; Huang, Zhao-Jiunn; Lai, Wei-Chih; Lin, Wan-Jung; Hwang, Wen-Shu","Ruthenium(II) carbonyl complexes bearing CCC-pincer bis-(carbene) ligands: synthesis, structures and activities toward recycle transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13161","13171","10.1039/c3dt51161h","","","0.71073","MoKα","","0.0331","0.0264","","","0.0667","0.0712","","","","","","1.046","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023317","10.9243","0.0007","14.5417","0.001","15.1796","0.001","90","","94.979","0.001","90","","2402.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 F6 N6 O P Ru -","- C21 H21 F6 N6 O P Ru -","- C84 H84 F24 N24 O4 P4 Ru4 -","4","1","","Naziruddin, Abbas Raja; Huang, Zhao-Jiunn; Lai, Wei-Chih; Lin, Wan-Jung; Hwang, Wen-Shu","Ruthenium(II) carbonyl complexes bearing CCC-pincer bis-(carbene) ligands: synthesis, structures and activities toward recycle transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13161","13171","10.1039/c3dt51161h","","","0.71073","MoKα","","0.0408","0.0322","","","0.0886","0.0978","","","","","","1.048","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023318","8.4655","0.0005","15.8272","0.0009","18.9515","0.0011","90","","100.909","0.002","90","","2493.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 I N6 O Ru -","- C25 H21 I N6 O Ru -","- C100 H84 I4 N24 O4 Ru4 -","4","1","","Naziruddin, Abbas Raja; Huang, Zhao-Jiunn; Lai, Wei-Chih; Lin, Wan-Jung; Hwang, Wen-Shu","Ruthenium(II) carbonyl complexes bearing CCC-pincer bis-(carbene) ligands: synthesis, structures and activities toward recycle transfer hydrogenation reactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13161","13171","10.1039/c3dt51161h","","","0.71073","MoKα","","0.071","0.0495","","","0.1206","0.1343","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023319","14.955","0.005","19.163","0.006","21.411","0.006","78.813","0.006","81.903","0.007","89.211","0.006","5959","3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H90 Al N O4 Zr -","- C58 H90 Al N O4 Zr -","- C232 H360 Al4 N4 O16 Zr4 -","4","2","","Takii, Yuki; Inagaki, Akiko; Nomura, Kotohiro","Synthesis, structural analysis of the hetero-bimetallic complexes MMe[(O-2,4-tBu2C6H2-6-CH2)2(μ2-O-2,4-tBu2C6H2-6-CH2)N][Me2Al(μ2-OiPr)] [M = Zr, Hf] and their use in catalysis for ethylene polymerisation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11632","11639","10.1039/c3dt51172c","","","0.71075","MoKα","","0.1067","0.0591","","","0.1213","0.1524","","","","","","1.074","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023320","20.154","0.007","11.472","0.004","22.293","0.008","90","","96.085","0.003","90","","5125","3","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H82 Al Hf N O4 -","- C51 H82 Al Hf N O4 -","- C204 H328 Al4 Hf4 N4 O16 -","4","1","","Takii, Yuki; Inagaki, Akiko; Nomura, Kotohiro","Synthesis, structural analysis of the hetero-bimetallic complexes MMe[(O-2,4-tBu2C6H2-6-CH2)2(μ2-O-2,4-tBu2C6H2-6-CH2)N][Me2Al(μ2-OiPr)] [M = Zr, Hf] and their use in catalysis for ethylene polymerisation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11632","11639","10.1039/c3dt51172c","","","0.71075","MoKα","","","0.0491","","","","0.0932","","","","","","1.246","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023321","13.1299","0.0003","13.8383","0.0003","27.1041","0.0006","79.247","0.002","84.9","0.002","81.114","0.002","4770.98","0.19","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H55 B Cl N P2 Ru -","- C58 H55 B Cl N P2 Ru -","- C232 H220 B4 Cl4 N4 P8 Ru4 -","4","2","","Liu, Zicheng; Xu, Junjie; Ruan, Wenqing; Fu, Chen; Zhang, Hui-Jun; Wen, Ting-Bin","A half-sandwich 1,2-azaborolyl ruthenium complex: synthesis, characterization, and evaluation of its catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11976","11980","10.1039/c3dt51177d","","","0.71073","MoKα","","0.0585","0.0336","","","0.0779","0.0822","","","","","","0.995","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023322","9.9813","0.0004","14.1738","0.0005","29.0404","0.0011","90","","90","","90","","4108.4","0.3","123","2","123","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H48 B N P2 Ru -","- C51 H48 B N P2 Ru -","- C204 H192 B4 N4 P8 Ru4 -","4","1","","Liu, Zicheng; Xu, Junjie; Ruan, Wenqing; Fu, Chen; Zhang, Hui-Jun; Wen, Ting-Bin","A half-sandwich 1,2-azaborolyl ruthenium complex: synthesis, characterization, and evaluation of its catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11976","11980","10.1039/c3dt51177d","","","0.71073","MoKα","","0.0394","0.0308","","","0.0403","0.0412","","","","","","0.915","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023323","9.1386","0.0007","6.5567","0.0005","11.6157","0.0008","90","","94.023","0.006","90","","694.29","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H14 O7 -","- C15 H14 O7 -","- C30 H28 O14 -","2","1","","Liu, Zicheng; Xu, Junjie; Ruan, Wenqing; Fu, Chen; Zhang, Hui-Jun; Wen, Ting-Bin","A half-sandwich 1,2-azaborolyl ruthenium complex: synthesis, characterization, and evaluation of its catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11976","11980","10.1039/c3dt51177d","","","0.71073","MoKα","","0.0426","0.0331","","","0.0632","0.0647","","","","","","1.009","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023324","8.8506","0.0003","9.5121","0.0003","22.9522","0.0008","90","","96.001","0.003","90","","1921.71","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O6 -","- C22 H21 N O6 -","- C88 H84 N4 O24 -","4","1","","Liu, Zicheng; Xu, Junjie; Ruan, Wenqing; Fu, Chen; Zhang, Hui-Jun; Wen, Ting-Bin","A half-sandwich 1,2-azaborolyl ruthenium complex: synthesis, characterization, and evaluation of its catalytic activities.","Dalton transactions (Cambridge, England : 2003)","2013","42","33","11976","11980","10.1039/c3dt51177d","","","0.71073","MoKα","","0.0583","0.0423","","","0.1102","0.1143","","","","","","1.086","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023325","25.655","0.008","11.57","0.004","7.024","0.002","90","","99.927","0.004","90","","2053.7","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Mn N2 O4 -","- C24 H16 Mn N2 O4 -","- C96 H64 Mn4 N8 O16 -","4","0.5","","Xu, Xinxin; Cui, Zhongping; Qi, Ji; Liu, Xiaoxia","Fabrication of Ag/CPs composite material, an effective strategy to improve the photocatalytic performance of coordination polymers under visible irradiation.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13546","13553","10.1039/c3dt51178b","","","0.71073","MoKα","","0.0334","0.0315","","","0.1013","0.1051","","","","","","1.027","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023326","21.9137","0.0015","11.7028","0.0008","7.3134","0.0005","90","","100.423","0.001","90","","1844.6","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Mn N2 O4 -","- C22 H14 Mn N2 O4 -","- C88 H56 Mn4 N8 O16 -","4","0.5","","Xu, Xinxin; Cui, Zhongping; Qi, Ji; Liu, Xiaoxia","Fabrication of Ag/CPs composite material, an effective strategy to improve the photocatalytic performance of coordination polymers under visible irradiation.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13546","13553","10.1039/c3dt51178b","","","0.71073","MoKα","","0.0453","0.0434","","","0.1429","0.1465","","","","","","1.034","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023327","6.3154","0.0004","12.297","0.0007","12.3905","0.0009","90","","97.703","0.007","90","","953.57","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N4 O3 -","- C21 H22 N4 O3 -","- C42 H44 N8 O6 -","2","1","","Kumar, Virendra; Kumar, Ajit; Diwan, Uzra; Upadhyay, K. K.","A Zn(2+)-responsive highly sensitive fluorescent probe and 1D coordination polymer based on a coumarin platform.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13078","13083","10.1039/c3dt51182k","","","0.71073","MoKα","","0.0937","0.0546","","","0.1123","0.134","","","","","","1.028","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023328","12.3149","0.0017","12.7297","0.0007","14.0515","0.0011","90","","90","","90","","2202.8","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N5 O6 Zn -","- C21 H21 N5 O6 Zn -","- C84 H84 N20 O24 Zn4 -","4","1","","Kumar, Virendra; Kumar, Ajit; Diwan, Uzra; Upadhyay, K. K.","A Zn(2+)-responsive highly sensitive fluorescent probe and 1D coordination polymer based on a coumarin platform.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13078","13083","10.1039/c3dt51182k","","","0.71073","MoKα","","0.1218","0.0566","","","0.0626","0.0816","","","","","","0.894","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023329","12.5331","0.0004","13.4857","0.0005","12.0851","0.0004","90","","107.304","0.001","90","","1950.15","0.12","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cd N4 O6 S -","- C18 H22 Cd N4 O6 S -","- C72 H88 Cd4 N16 O24 S4 -","4","0.5","","Gong, Yun; Hao, Zhi; Sun, Jun Liang; Shi, Hui-Fang; Jiang, Peng-Gang; Lin, Jian-Hua","Metal(II) complexes based on 1,4-bis(3-pyridylaminomethyl)benzene: structures, photoluminescence and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13241","13250","10.1039/c3dt51188j","","","0.71073","MoKα","","0.026","0.0238","","","0.0645","0.0666","","","","","","1.067","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023330","10.09","0.001","10.2601","0.0011","12.6419","0.0013","87.932","0.002","73.132","0.001","64.73","0.001","1126.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N4 O4 -","- C26 H22 Cd N4 O4 -","- C52 H44 Cd2 N8 O8 -","2","1","","Gong, Yun; Hao, Zhi; Sun, Jun Liang; Shi, Hui-Fang; Jiang, Peng-Gang; Lin, Jian-Hua","Metal(II) complexes based on 1,4-bis(3-pyridylaminomethyl)benzene: structures, photoluminescence and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13241","13250","10.1039/c3dt51188j","","","0.71073","MoKα","","0.0398","0.033","","","0.0789","0.0826","","","","","","1","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023331","7.297","0.0006","15.7569","0.0016","10.1351","0.0011","90","","98.921","0.001","90","","1151.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H22 N4 O4 Pb -","- C26 H22 N4 O4 Pb -","- C52 H44 N8 O8 Pb2 -","2","0.5","","Gong, Yun; Hao, Zhi; Sun, Jun Liang; Shi, Hui-Fang; Jiang, Peng-Gang; Lin, Jian-Hua","Metal(II) complexes based on 1,4-bis(3-pyridylaminomethyl)benzene: structures, photoluminescence and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13241","13250","10.1039/c3dt51188j","","","0.71073","MoKα","","0.0326","0.0263","","","0.0542","0.0559","","","","","","0.983","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023332","18.0502","0.0007","12.1923","0.0003","15.6893","0.0007","90","","117.445","0.002","90","","3064.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N2 O4 S Zn -","- C15 H11 N2 O4 S Zn -","- C120 H88 N16 O32 S8 Zn8 -","8","1","","Gong, Yun; Hao, Zhi; Sun, Jun Liang; Shi, Hui-Fang; Jiang, Peng-Gang; Lin, Jian-Hua","Metal(II) complexes based on 1,4-bis(3-pyridylaminomethyl)benzene: structures, photoluminescence and photocatalytic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13241","13250","10.1039/c3dt51188j","","","0.71073","MoKα","","0.0282","0.024","","","0.0606","0.0627","","","","","","1.05","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023333","21.4665","0.0007","13.2801","0.0005","11.3188","0.0004","90","","112.445","0.001","90","","2982.3","0.18","203","","203","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H35 Cl2 N5 O15 U -","- C15 H35 Cl2 N5 O15 U -","- C60 H140 Cl8 N20 O60 U4 -","4","1","","Takao, Koichiro; Takao, Shinobu; Ikeda, Yasuhisa; Bernhard, Gert; Hennig, Christoph","Uranyl-halide complexation in N,N-dimethylformamide: halide coordination trend manifests hardness of [UO2]2+.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13101","13111","10.1039/c3dt51191j","","","0.71075","MoKα","","","0.0489","","","","0.1254","","","","","","1.031","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023334","12.049","0.008","12.43","0.007","23.884","0.018","75.14","0.03","77.48","0.03","66.54","0.03","3145","4","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C66 H65 F6 Fe2 N O0.5 P5 -","- C66 H65 F6 Fe2 N O0.5 P5 -","- C132 H130 F12 Fe4 N2 O P10 -","2","2","","Ma, Xiao; Lin, Chen-Sheng; Zhang, Hui; Lin, Yi-Ji; Hu, Sheng-Min; Sheng, Tian-Lu; Wu, Xin-Tao","Synthesis, spectral and redox switchable cubic NLO properties of chiral dinuclear iron cyanide/isocyanide-bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12452","12459","10.1039/c3dt51197a","","","0.71073","MoKα","","0.1068","0.0782","","","0.1548","0.1746","","","","","","0.982","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023335","12.061","0.015","12.35","0.013","23.73","0.03","74.95","0.05","77.34","0.05","66.64","0.04","3107","7","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C68 H70 F6 Fe2 N O P5 -","- C68 H70 F6 Fe2 N O P5 -","- C136 H140 F12 Fe4 N2 O2 P10 -","2","2","","Ma, Xiao; Lin, Chen-Sheng; Zhang, Hui; Lin, Yi-Ji; Hu, Sheng-Min; Sheng, Tian-Lu; Wu, Xin-Tao","Synthesis, spectral and redox switchable cubic NLO properties of chiral dinuclear iron cyanide/isocyanide-bridged complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12452","12459","10.1039/c3dt51197a","","","0.71073","MoKα","","0.1079","0.0785","","","0.1685","0.19","","","","","","0.891","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023336","11.1399","0.0017","9.4693","0.0015","24.716","0.004","90","","95.913","0.002","90","","2593.3","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cl7 N2 O3 Re -","- C20 H20 Cl7 N2 O3 Re -","- C80 H80 Cl28 N8 O12 Re4 -","4","1","","Rotsch, David A.; Reinig, Kimberly M.; Weis, Eric M.; Taylor, Anna B.; Barnes, Charles L.; Jurisson, Silvia S.","Novel rhenium(III, IV, and V) tetradentate N2O2 Schiff base mononuclear and dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11614","11625","10.1039/c3dt51198g","","","0.71073","MoKα","","0.0207","0.0191","","","0.0422","0.0427","","","","","","1.116","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023337","9.6016","0.0016","17.819","0.003","14.807","0.003","90","","90.941","0.002","90","","2533","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H40 Cl12 N4 O7 Re2 -","- C40 H40 Cl12 N4 O7 Re2 -","- C80 H80 Cl24 N8 O14 Re4 -","2","0.5","","Rotsch, David A.; Reinig, Kimberly M.; Weis, Eric M.; Taylor, Anna B.; Barnes, Charles L.; Jurisson, Silvia S.","Novel rhenium(III, IV, and V) tetradentate N2O2 Schiff base mononuclear and dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11614","11625","10.1039/c3dt51198g","","","0.71073","MoKα","","0.0421","0.0345","","","0.0862","0.09","","","","","","1.096","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023338","8.92","0.004","9.487","0.004","11.657","0.005","95.882","0.005","96.864","0.004","103.701","0.004","942.7","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 N3 O3 Re S -","- C19 H18 N3 O3 Re S -","- C38 H36 N6 O6 Re2 S2 -","2","1","","Rotsch, David A.; Reinig, Kimberly M.; Weis, Eric M.; Taylor, Anna B.; Barnes, Charles L.; Jurisson, Silvia S.","Novel rhenium(III, IV, and V) tetradentate N2O2 Schiff base mononuclear and dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11614","11625","10.1039/c3dt51198g","","","0.71073","MoKα","","0.0358","0.0302","","","0.0713","0.0733","","","","","","1.058","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023339","39.067","0.008","8.746","0.0018","19.104","0.004","90","","97.644","0.002","90","","6469","2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H33 N3 O2 P Re S -","- C37 H33 N3 O2 P Re S -","- C296 H264 N24 O16 P8 Re8 S8 -","8","1","","Rotsch, David A.; Reinig, Kimberly M.; Weis, Eric M.; Taylor, Anna B.; Barnes, Charles L.; Jurisson, Silvia S.","Novel rhenium(III, IV, and V) tetradentate N2O2 Schiff base mononuclear and dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11614","11625","10.1039/c3dt51198g","","","0.71073","MoKα","","0.083","0.0583","","","0.1174","0.1248","","","","","","1.174","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023340","10.1169","0.0013","16.397","0.002","13.1679","0.0017","90","","95.155","0.002","90","","2175.5","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 N8 O5 Re2 S2 -","- C42 H42 N8 O5 Re2 S2 -","- C84 H84 N16 O10 Re4 S4 -","2","0.5","","Rotsch, David A.; Reinig, Kimberly M.; Weis, Eric M.; Taylor, Anna B.; Barnes, Charles L.; Jurisson, Silvia S.","Novel rhenium(III, IV, and V) tetradentate N2O2 Schiff base mononuclear and dinuclear complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11614","11625","10.1039/c3dt51198g","","","0.71073","MoKα","","0.0916","0.0586","","","0.1276","0.1389","","","","","","1.155","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023341","15.5063","0.0017","11.4579","0.0013","24.859","0.003","90","","90","","90","","4416.7","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H10 N6 O8 Pb2 -","- C20 H10 N6 O8 Pb2 -","- C160 H80 N48 O64 Pb16 -","8","1","","Li, Jiang; Yang, Guoping; Hou, Lei; Cui, Lin; Li, Yuanpu; Wang, Yao-Yu; Shi, Qi-Zhen","Three new solvent-directed 3D lead(II)-MOFs displaying the unique properties of luminescence and selective CO2 sorption.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13590","13598","10.1039/c3dt51203g","","","0.71073","MoKα","","0.0663","0.0573","","","0.1584","0.1751","","","","","","1.068","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023342","15.3197","0.0014","15.6843","0.0015","15.1838","0.0014","90","","116.386","0.001","90","","3268.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H14 N9 O12 Pb3 -","- C30 H14 N9 O12 Pb3 -","- C120 H56 N36 O48 Pb12 -","4","1","","Li, Jiang; Yang, Guoping; Hou, Lei; Cui, Lin; Li, Yuanpu; Wang, Yao-Yu; Shi, Qi-Zhen","Three new solvent-directed 3D lead(II)-MOFs displaying the unique properties of luminescence and selective CO2 sorption.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13590","13598","10.1039/c3dt51203g","","","0.71073","MoKα","","0.0642","0.0392","","","0.1033","0.1368","","","","","","0.934","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023343","17.262","0.008","17.262","0.008","21.956","0.01","90","","90","","90","","6542","5","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H4 N3 O5 Pb -","- C10 H4 N3 O5 Pb -","- C160 H64 N48 O80 Pb16 -","16","1","","Li, Jiang; Yang, Guoping; Hou, Lei; Cui, Lin; Li, Yuanpu; Wang, Yao-Yu; Shi, Qi-Zhen","Three new solvent-directed 3D lead(II)-MOFs displaying the unique properties of luminescence and selective CO2 sorption.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13590","13598","10.1039/c3dt51203g","","","0.71073","MoKα","","0.0579","0.0331","","","0.1328","0.1593","","","","","","1.15","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023344","10.8176","0.0015","12.4498","0.0018","18.455","0.003","98.278","0.003","94.561","0.003","107.751","0.003","2322.3","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 Br P -","- C27 H22 Br P -","- C108 H88 Br4 P4 -","4","2","","Luo, Jingwei; Oliver, Allen G.; McIndoe, J. Scott","A detailed kinetic analysis of rhodium-catalyzed alkyne hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11312","11318","10.1039/c3dt51212f","","","0.71073","MoKα","","0.0792","0.0666","","","0.2057","0.2208","","","","","","1.066","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023345","13.0516","0.001","12.5831","0.001","13.2499","0.001","90","","96.207","0.004","90","","2163.3","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 I P -","- C24 H24 I P -","- C96 H96 I4 P4 -","4","1","","Luo, Jingwei; Oliver, Allen G.; McIndoe, J. Scott","A detailed kinetic analysis of rhodium-catalyzed alkyne hydrogenation.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11312","11318","10.1039/c3dt51212f","","","0.71073","MoKα","","0.0335","0.0236","","","0.0521","0.0559","","","","","","1.015","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023346","9.8296","0.0005","13.015","0.0008","24.1978","0.0011","90","","96.836","0.002","90","","3073.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Dy N5 O11 -","- C30 H34 Dy N5 O11 -","- C120 H136 Dy4 N20 O44 -","4","1","","Li, Quan-Wen; Liu, Jun-Liang; Jia, Jian-Hua; Leng, Ji-Dong; Lin, Wei-Quan; Chen, Yan-Cong; Tong, Ming-Liang","Fluorescent single-ion magnets: molecular hybrid (HNEt₃)[DyxYb1-x(bpyda)₂] (x = 0.135-1).","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11262","11270","10.1039/c3dt51220g","","","0.71073","MoKα","","0.0806","0.0479","","","0.1072","0.1268","","","","","","1.04","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023347","9.8275","0.0002","12.9837","0.0003","24.1557","0.0006","90","","96.839","0.001","90","","3060.27","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 N5 O11 Yb -","- C30 H34 N5 O11 Yb -","- C120 H136 N20 O44 Yb4 -","4","1","","Li, Quan-Wen; Liu, Jun-Liang; Jia, Jian-Hua; Leng, Ji-Dong; Lin, Wei-Quan; Chen, Yan-Cong; Tong, Ming-Liang","Fluorescent single-ion magnets: molecular hybrid (HNEt₃)[DyxYb1-x(bpyda)₂] (x = 0.135-1).","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11262","11270","10.1039/c3dt51220g","","","0.71073","MoKα","","0.0464","0.034","","","0.0757","0.0814","","","","","","1.034","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023348","9.8425","0.0003","13.005","0.0005","24.1662","0.0009","90","","96.814","0.001","90","","3071.47","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Dy0.37 N5 O11 Yb0.63 -","- C30 H34 Dy0.37 N5 O11 Yb0.63 -","- C120 H136 Dy1.48 N20 O44 Yb2.52 -","4","1","","Li, Quan-Wen; Liu, Jun-Liang; Jia, Jian-Hua; Leng, Ji-Dong; Lin, Wei-Quan; Chen, Yan-Cong; Tong, Ming-Liang","Fluorescent single-ion magnets: molecular hybrid (HNEt₃)[DyxYb1-x(bpyda)₂] (x = 0.135-1).","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11262","11270","10.1039/c3dt51220g","","","0.71073","MoKα","","0.0601","0.0393","","","0.0935","0.104","","","","","","1.058","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023349","9.8053","0.0003","12.9669","0.0004","24.2541","0.0007","90","","96.927","0.001","90","","3061.26","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Dy0.14 N5 O11 Yb0.86 -","- C30 H34 Dy0.14 N5 O11 Yb0.86 -","- C120 H136 Dy0.56 N20 O44 Yb3.44 -","4","1","","Li, Quan-Wen; Liu, Jun-Liang; Jia, Jian-Hua; Leng, Ji-Dong; Lin, Wei-Quan; Chen, Yan-Cong; Tong, Ming-Liang","Fluorescent single-ion magnets: molecular hybrid (HNEt₃)[DyxYb1-x(bpyda)₂] (x = 0.135-1).","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11262","11270","10.1039/c3dt51220g","","","0.71073","MoKα","","0.0519","0.0372","","","0.0841","0.0912","","","","","","1.049","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023350","8.8002","0.0005","28.1813","0.0015","12.2161","0.0007","90","","97.603","0.001","90","","3003","0.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H70 Cl2 F12 N6 O Rh2 Sb2 -","- C50 H70 Cl2 F12 N6 O Rh2 Sb2 -","- C100 H140 Cl4 F24 N12 O2 Rh4 Sb4 -","2","1","","Becerra, Alexandra; Contreras, Raúl; Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar","Half-sandwich rhodium and iridium complexes containing homochiral imidazolyl-imine ligands: synthesis, characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11640","11651","10.1039/c3dt51222c","","","0.71073","MoKα","","0.0614","0.048","","","0.1113","0.1179","","","","","","1.03","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023351","11.7614","0.0005","19.2349","0.0008","12.7525","0.0005","90","","112.635","0.001","90","","2662.77","0.19","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H30 Cl F6 Ir N3 Sb -","- C23 H30 Cl F6 Ir N3 Sb -","- C92 H120 Cl4 F24 Ir4 N12 Sb4 -","4","2","","Becerra, Alexandra; Contreras, Raúl; Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar","Half-sandwich rhodium and iridium complexes containing homochiral imidazolyl-imine ligands: synthesis, characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11640","11651","10.1039/c3dt51222c","","","0.71073","MoKα","","0.0262","0.0248","","","0.0578","0.0583","","","","","","1.013","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023352","10.8788","0.0015","22.48","0.003","12.2248","0.0017","90","","100.898","0.002","90","","2935.7","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H32 Cl F6 Ir N3 Sb -","- C27 H32 Cl F6 Ir N3 Sb -","- C108 H128 Cl4 F24 Ir4 N12 Sb4 -","4","2","","Becerra, Alexandra; Contreras, Raúl; Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar","Half-sandwich rhodium and iridium complexes containing homochiral imidazolyl-imine ligands: synthesis, characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11640","11651","10.1039/c3dt51222c","","","0.71073","MoKα","","0.0436","0.0362","","","0.0751","0.0784","","","","","","0.999","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023353","8.1017","0.0009","10.959","0.0013","17.954","0.002","90","","99.055","0.001","90","","1574.2","0.3","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H33 F12 N3 O1.5 Rh Sb2 -","- C23 H32 F12 N3 O1.5 Rh Sb2 -","- C46 H64 F24 N6 O3 Rh2 Sb4 -","2","1","","Becerra, Alexandra; Contreras, Raúl; Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar","Half-sandwich rhodium and iridium complexes containing homochiral imidazolyl-imine ligands: synthesis, characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11640","11651","10.1039/c3dt51222c","","","0.71073","MoKα","","0.041","0.0379","","","0.0973","0.0992","","","","","","1.036","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023354","8.1389","0.0005","10.975","0.0006","17.851","0.001","90","","99.176","0.001","90","","1574.13","0.16","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H33 F12 Ir N3 O1.5 Sb2 -","- C23 H32 F12 Ir N3 O1.5 Sb2 -","- C46 H64 F24 Ir2 N6 O3 Sb4 -","2","1","","Becerra, Alexandra; Contreras, Raúl; Carmona, Daniel; Lahoz, Fernando J.; García-Orduña, Pilar","Half-sandwich rhodium and iridium complexes containing homochiral imidazolyl-imine ligands: synthesis, characterization and catalytic applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11640","11651","10.1039/c3dt51222c","","","0.71073","MoKα","","0.0302","0.0288","","","0.0729","0.0739","","","","","","0.942","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023355","28.075","0.006","5.7634","0.0012","14.427","0.003","90","","110.082","0.01","90","","2192.5","0.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C112 H80 N16 O8 -","8","1","","Chiang, Ho-Wen; Su, Yo-Ting; Wu, Jing-Yun","Ligand dissociation/recoordination in fluorescent ionic zinc-salicylideneimine compounds: synthesis, characterization, photophysical properties, and (1)H NMR studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15169","15182","10.1039/c3dt51226f","","","0.71073","MoKα","","0.0541","0.0365","","","0.0848","0.0934","","","","","","1.039","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023356","13.2684","0.0016","6.2747","0.0006","29.454","0.004","90","","90","","90","","2452.2","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O2 -","- C15 H12 N2 O2 -","- C120 H96 N16 O16 -","8","1","","Chiang, Ho-Wen; Su, Yo-Ting; Wu, Jing-Yun","Ligand dissociation/recoordination in fluorescent ionic zinc-salicylideneimine compounds: synthesis, characterization, photophysical properties, and (1)H NMR studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15169","15182","10.1039/c3dt51226f","","","0.71073","MoKα","","0.0745","0.0435","","","0.1061","0.123","","","","","","1.01","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023357","7.1423","0.0002","13.0443","0.0005","23.0388","0.0008","90","","94.267","0.001","90","","2140.49","0.13","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 Cl2 N3 O Zn -","- C20 H25 Cl2 N3 O Zn -","- C80 H100 Cl8 N12 O4 Zn4 -","4","1","","Chiang, Ho-Wen; Su, Yo-Ting; Wu, Jing-Yun","Ligand dissociation/recoordination in fluorescent ionic zinc-salicylideneimine compounds: synthesis, characterization, photophysical properties, and (1)H NMR studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15169","15182","10.1039/c3dt51226f","","","0.71073","MoKα","","0.0224","0.0197","","","0.0512","0.0526","","","","","","1.069","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023358","7.7224","0.0004","12.2159","0.0006","23.601","0.0011","90","","95.23","0.001","90","","2217.16","0.19","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl3 N3 O Zn -","- C20 H24 Cl3 N3 O Zn -","- C80 H96 Cl12 N12 O4 Zn4 -","4","1","","Chiang, Ho-Wen; Su, Yo-Ting; Wu, Jing-Yun","Ligand dissociation/recoordination in fluorescent ionic zinc-salicylideneimine compounds: synthesis, characterization, photophysical properties, and (1)H NMR studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15169","15182","10.1039/c3dt51226f","","","0.71073","MoKα","","0.0299","0.0255","","","0.0664","0.0686","","","","","","1.045","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023359","7.786","0.002","12.174","0.003","23.664","0.006","90","","95.371","0.011","90","","2233.2","1","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br Cl2 N3 O Zn -","- C20 H24 Br Cl2 N3 O Zn -","- C80 H96 Br4 Cl8 N12 O4 Zn4 -","4","1","","Chiang, Ho-Wen; Su, Yo-Ting; Wu, Jing-Yun","Ligand dissociation/recoordination in fluorescent ionic zinc-salicylideneimine compounds: synthesis, characterization, photophysical properties, and (1)H NMR studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15169","15182","10.1039/c3dt51226f","","","0.71073","MoKα","","0.0314","0.0242","","","0.054","0.0563","","","","","","1.045","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023360","46.342","0.005","7.119","0.0008","27.418","0.003","90","","91.348","0.005","90","","9042.9","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H27 Cl2 N3 O2 Zn -","- C21 H27 Cl2 N3 O2 Zn -","- C336 H432 Cl32 N48 O32 Zn16 -","16","2","","Chiang, Ho-Wen; Su, Yo-Ting; Wu, Jing-Yun","Ligand dissociation/recoordination in fluorescent ionic zinc-salicylideneimine compounds: synthesis, characterization, photophysical properties, and (1)H NMR studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15169","15182","10.1039/c3dt51226f","","","0.71073","MoKα","","0.1191","0.1085","","","0.3045","0.3087","","","","","","1.147","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023361","13.1246","0.0007","10.1242","0.0006","18.2879","0.001","90","","109.496","0.002","90","","2290.7","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H29 Cl2 N3 O Zn -","- C22 H29 Cl2 N3 O Zn -","- C88 H116 Cl8 N12 O4 Zn4 -","4","1","","Chiang, Ho-Wen; Su, Yo-Ting; Wu, Jing-Yun","Ligand dissociation/recoordination in fluorescent ionic zinc-salicylideneimine compounds: synthesis, characterization, photophysical properties, and (1)H NMR studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15169","15182","10.1039/c3dt51226f","","","0.71073","MoKα","","0.0386","0.0283","","","0.0769","0.09","","","","","","1.134","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023362","14.0958","0.0002","23.3198","0.0003","26.1788","0.0004","90","","92.926","0.002","90","","8594","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H87 B F26 O2 Zn4 -","- C82 H87 B F26 O2 Zn4 -","- C328 H348 B4 F104 O8 Zn16 -","4","1","","Freitag, Kerstin; Banh, Hung; Ganesamoorthy, Chelladurai; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","Cp* as a removable protecting group: low valent Zn(I) compounds by reductive elimination, protolytic and oxidative cleavage of Zn-Cp*.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10540","10544","10.1039/c3dt51230d","","","0.71073","MoKα","","0.1102","0.0763","","","0.1703","0.1893","","","","","","1.062","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023363","18.6723","0.0004","24.9419","0.0007","25.4726","0.0005","90","","90","","90","","11863.2","0.5","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H57 B F24 O3 Zn2 -","- C54 H57 B F24 O3 Zn2 -","- C432 H456 B8 F192 O24 Zn16 -","8","1","","Freitag, Kerstin; Banh, Hung; Ganesamoorthy, Chelladurai; Gemel, Christian; Seidel, Rüdiger W; Fischer, Roland A.","Cp* as a removable protecting group: low valent Zn(I) compounds by reductive elimination, protolytic and oxidative cleavage of Zn-Cp*.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10540","10544","10.1039/c3dt51230d","","","1.54178","CuKα","","0.088","0.0631","","","0.1748","0.2","","","","","","1.025","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023364","12.2064","0.0006","15.2488","0.0007","15.5982","0.0007","116.229","0.0012","105.412","0.0015","98.7661","0.0015","2385.4","0.2","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn2(OAc)](CHCl3)2(MeOH)1.5(H2O)0.5","","","- C46.5 H41 Cl6 N4 O7 Zn2 -","- C46.5 H40 Cl6 N4 O7 Zn2 -","- C93 H80 Cl12 N8 O14 Zn4 -","2","1","","Akine, Shigehisa; Nagumo, Hiroki; Nabeshima, Tatsuya","Programmed multiple complexation for the creation of helical structures from acyclic phenol-bipyridine oligomer ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15974","15986","10.1039/c3dt51240a","","","0.71069","MoKα","","0.0775","0.0638","","","0.1776","0.195","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023365","14.7737","0.0015","30.598","0.003","21.7741","0.0019","90","","107.842","0.003","90","","9369.5","1.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[L2Ni4](OAc)2(MeOH)6.5(H2O)4","","","- C92.5 H98 N8 Ni4 O20.5 -","- C92.5 H64 N8 Ni4 O20.5 -","- C370 H256 N32 Ni16 O82 -","4","1","","Akine, Shigehisa; Nagumo, Hiroki; Nabeshima, Tatsuya","Programmed multiple complexation for the creation of helical structures from acyclic phenol-bipyridine oligomer ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15974","15986","10.1039/c3dt51240a","","","0.71069","MoKα","","0.2413","0.0897","","","0.1797","0.2334","","","","","","1.072","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023366","9.8836","0.0007","12.5381","0.0007","16.4708","0.0009","66.538","0.0017","70.356","0.003","82.489","0.002","1763.36","0.19","120","","120","","","","","","","","","6","P -1","-P 1","2","[(LH)2Fe2Cl2](MeCN)2","","","- C86 H66 Cl2 Fe2 N10 O6 -","- C86 H66 Cl2 Fe2 N10 O6 -","- C86 H66 Cl2 Fe2 N10 O6 -","1","0.5","","Akine, Shigehisa; Nagumo, Hiroki; Nabeshima, Tatsuya","Programmed multiple complexation for the creation of helical structures from acyclic phenol-bipyridine oligomer ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15974","15986","10.1039/c3dt51240a","","","0.71069","MoKα","","0.1037","0.0504","","","0.0982","0.137","","","","","","1.035","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023367","14.6782","0.0011","17.4488","0.0014","17.584","0.0011","113.199","0.0019","109.445","0.0019","98.986","0.002","3682.6","0.5","120","","120","","","","","","","","","6","P -1","-P 1","2","[LZn3(OAc)2](CHCl3)(MeOH)3.5(H2O)","","","- C78.5 H87 Cl3 N6 O12.5 Zn3 -","- C78.5 H85 Cl3 N6 O12.5 Zn3 -","- C157 H170 Cl6 N12 O25 Zn6 -","2","1","","Akine, Shigehisa; Nagumo, Hiroki; Nabeshima, Tatsuya","Programmed multiple complexation for the creation of helical structures from acyclic phenol-bipyridine oligomer ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15974","15986","10.1039/c3dt51240a","","","0.71069","MoKα","","0.1122","0.0868","","","0.2226","0.2486","","","","","","1.111","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023368","15.1439","0.0016","15.7323","0.0015","17.9697","0.0018","76.059","0.007","67.877","0.007","66.888","0.007","3625.9","0.7","120","","120","","","","","","","","","5","P -1","-P 1","2","[LCo3(OAc)3(OMe)](MeOH)1.25(Et2O)0.5(H2O)","","","- C80.25 H88 Co3 N6 O13.75 -","- C80.25 H86 Co3 N6 O13.75 -","- C160.5 H172 Co6 N12 O27.5 -","2","1","","Akine, Shigehisa; Nagumo, Hiroki; Nabeshima, Tatsuya","Programmed multiple complexation for the creation of helical structures from acyclic phenol-bipyridine oligomer ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15974","15986","10.1039/c3dt51240a","","","0.71073","MoKα","","0.2532","0.0875","","","0.1676","0.2206","","","","","","1.003","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023369","9.5887","0.0008","12.0516","0.001","13.4317","0.0011","73.072","0.001","87.092","0.001","71.827","0.001","1409.5","0.2","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H50 Co3 N8 O18 -","- C58 H42 Co3 N8 O18 -","- C58 H42 Co3 N8 O18 -","1","0.5","","Song, Xue-Zhi; Song, Shu-Yan; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Zhao, Shu-Na; Zhang, Hong-Jie","Employing tripodal carboxylate ligand to construct Co(II) coordination networks modulated by N-donor ligands: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13231","13240","10.1039/c3dt51241j","","","0.71073","MoKα","","0.0685","0.053","","","0.135","0.1453","","","","","","1.059","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7023370","10.6774","0.0005","10.8538","0.0005","13.5266","0.001","91.532","0.001","95.812","0.001","118.418","0.001","1366.58","0.14","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Co2 N4 O9 -","- C29 H22 Co2 N4 O9 -","- C58 H44 Co4 N8 O18 -","2","1","","Song, Xue-Zhi; Song, Shu-Yan; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Zhao, Shu-Na; Zhang, Hong-Jie","Employing tripodal carboxylate ligand to construct Co(II) coordination networks modulated by N-donor ligands: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13231","13240","10.1039/c3dt51241j","","","0.71073","MoKα","","0.0426","0.0344","","","0.0741","0.0776","","","","","","1.049","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7023371","9.5727","0.0011","11.6322","0.0013","12.3114","0.0013","86.02","0.002","76.379","0.002","78.833","0.002","1306.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H42 Co3 N8 O14 -","- C58 H42 Co3 N8 O14 -","- C58 H42 Co3 N8 O14 -","1","0.5","","Song, Xue-Zhi; Song, Shu-Yan; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Zhao, Shu-Na; Zhang, Hong-Jie","Employing tripodal carboxylate ligand to construct Co(II) coordination networks modulated by N-donor ligands: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13231","13240","10.1039/c3dt51241j","","","0.71073","MoKα","","0.1255","0.0611","","","0.1078","0.137","","","","","","0.943","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7023372","9.6706","0.0008","11.0066","0.0009","12.2565","0.001","63.543","0.001","69.742","0.001","73.92","0.001","1083.95","0.15","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 Co3 N4 O18 -","- C44 H36 Co3 N4 O18 -","- C44 H36 Co3 N4 O18 -","1","0.5","","Song, Xue-Zhi; Song, Shu-Yan; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Zhao, Shu-Na; Zhang, Hong-Jie","Employing tripodal carboxylate ligand to construct Co(II) coordination networks modulated by N-donor ligands: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13231","13240","10.1039/c3dt51241j","","","0.71073","MoKα","","0.0862","0.0507","","","0.095","0.1108","","","","","","1.016","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7023373","46.6723","0.0014","11.4002","0.0003","20.0539","0.0006","90","","108.23","0.001","90","","10134.6","0.5","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C110 H82 Co5 N10 O34 -","- C110 H70 Co5 N10 O34 -","- C440 H280 Co20 N40 O136 -","4","0.5","","Song, Xue-Zhi; Song, Shu-Yan; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Zhao, Shu-Na; Zhang, Hong-Jie","Employing tripodal carboxylate ligand to construct Co(II) coordination networks modulated by N-donor ligands: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13231","13240","10.1039/c3dt51241j","","","0.71073","MoKα","","0.0502","0.0362","","","0.0965","0.109","","","","","","1.052","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7023374","9.6355","0.0011","12.1928","0.0013","23.234","0.003","82.255","0.002","78.694","0.002","71.046","0.002","2524.1","0.5","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Co3 N4 O15 -","- C56 H42 Co3 N4 O15 -","- C112 H84 Co6 N8 O30 -","2","1","","Song, Xue-Zhi; Song, Shu-Yan; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Zhao, Shu-Na; Zhang, Hong-Jie","Employing tripodal carboxylate ligand to construct Co(II) coordination networks modulated by N-donor ligands: syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13231","13240","10.1039/c3dt51241j","","","0.71073","MoKα","","0.1019","0.056","","","0.1182","0.1445","","","","","","1.038","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7023375","12.335","0.0003","7.734","0.0002","11.486","0.0003","90","","117.579","0.0013","90","","971.24","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cu N4 -","- C9 H10 Cu N4 -","- C36 H40 Cu4 N16 -","4","1","","Ferlay, Sylvie; Dechambenoit, Pierre; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: tuning the dimensionality and topology of extended cyanocuprate networks using a bisamidinium cation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11661","11671","10.1039/c3dt51252e","","","0.71073","MoKα","","0.0454","0.033","","","0.0843","0.0898","","","","","","1.042","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023376","8.3378","0.0007","8.4859","0.0007","16.0299","0.0015","93.171","0.003","92.107","0.003","115.69","0.002","1018.17","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H26 Cu2 N5 O -","- C17 H22 Cu2 N5 O -","- C34 H44 Cu4 N10 O2 -","2","1","","Ferlay, Sylvie; Dechambenoit, Pierre; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: tuning the dimensionality and topology of extended cyanocuprate networks using a bisamidinium cation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11661","11671","10.1039/c3dt51252e","","","0.71073","MoKα","","0.0579","0.04","","","0.0978","0.1045","","","","","","1.034","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023377","8.5782","0.0015","9.0487","0.0016","9.1472","0.0016","96.855","0.004","92.638","0.003","105.014","0.004","678.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Cu3 N6 O -","- C11 H10 Cu3 N6 O -","- C22 H20 Cu6 N12 O2 -","2","1","","Ferlay, Sylvie; Dechambenoit, Pierre; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: tuning the dimensionality and topology of extended cyanocuprate networks using a bisamidinium cation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11661","11671","10.1039/c3dt51252e","","","0.71073","MoKα","","0.1613","0.1009","","","0.2637","0.2909","","","","","","1.244","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023378","6.6681","0.0003","6.7635","0.0003","8.9552","0.0004","96.837","0.002","108.93","0.002","99.618","0.002","370.11","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 Cu2 N8 -","- C12 H12 Cu2 N8 -","- C12 H12 Cu2 N8 -","1","0.5","","Ferlay, Sylvie; Dechambenoit, Pierre; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: tuning the dimensionality and topology of extended cyanocuprate networks using a bisamidinium cation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11661","11671","10.1039/c3dt51252e","","","0.71073","MoKα","","0.0219","0.021","","","0.0601","0.0605","","","","","","1.074","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023379","8.493","0.0002","8.312","0.0003","11.728","0.0003","90","","94.345","0.0019","90","","825.54","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Cu N4 -","- C7 H10 Cu N4 -","- C28 H40 Cu4 N16 -","4","1","","Ferlay, Sylvie; Dechambenoit, Pierre; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: tuning the dimensionality and topology of extended cyanocuprate networks using a bisamidinium cation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11661","11671","10.1039/c3dt51252e","","","0.71073","MoKα","","0.0452","0.0322","","","0.0771","0.0836","","","","","","1.029","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023380","12.1846","0.0004","14.9832","0.0004","13.1581","0.0004","90","","90","","90","","2402.2","0.13","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H24 Cu4 N10 O2 -","- C16 H20 Cu4 N10 O2 -","- C64 H80 Cu16 N40 O8 -","4","0.5","","Ferlay, Sylvie; Dechambenoit, Pierre; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: tuning the dimensionality and topology of extended cyanocuprate networks using a bisamidinium cation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11661","11671","10.1039/c3dt51252e","","","0.71073","MoKα","","0.0522","0.0423","","","0.1163","0.1257","","","","","","1.03","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023381","10.7515","0.0003","12.6791","0.0003","13.7566","0.0004","90","","93.894","0.002","90","","1870.96","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu3 N9 -","- C17 H16 Cu3 N9 -","- C68 H64 Cu12 N36 -","4","1","","Ferlay, Sylvie; Dechambenoit, Pierre; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: tuning the dimensionality and topology of extended cyanocuprate networks using a bisamidinium cation.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11661","11671","10.1039/c3dt51252e","","","0.71073","MoKα","","0.043","0.0298","","","0.0721","0.0767","","","","","","1.037","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023382","11.979","0.002","18.349","0.004","20.219","0.004","90","","90","","90","","4444.2","1.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C49 H47 B Cl2 Fe N2 P4 -","- C49 H47 B Cl2 Fe N2 P4 -","- C196 H188 B4 Cl8 Fe4 N8 P16 -","4","1","","Frank, Nicolas; Hanau, Katharina; Flosdorf, Kimon; Langer, Robert","Formation of an iron phosphine-borane complex by formal insertion of BH₃ into the Fe-P bond.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11252","11261","10.1039/c3dt51254a","","","0.71073","MoKα","","0.1216","0.0626","","","0.0908","0.0998","","","","","","0.898","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023383","22.401","0.005","12.421","0.003","19.403","0.004","90","","90","","90","","5399","2","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H51 Cl4 Fe2 N5 P4 -","- C54 H51 Cl4 Fe2 N5 P4 -","- C216 H204 Cl16 Fe8 N20 P16 -","4","1","","Frank, Nicolas; Hanau, Katharina; Flosdorf, Kimon; Langer, Robert","Formation of an iron phosphine-borane complex by formal insertion of BH₃ into the Fe-P bond.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11252","11261","10.1039/c3dt51254a","","","0.71073","MoKα","","0.0762","0.0468","","","0.0808","0.088","","","","","","0.97","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023384","11.829","0.002","12.626","0.003","19.276","0.004","85.36","0.03","83.54","0.03","68.09","0.03","2651.7","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H51 B2 F8 Fe N5 P4 -","- C54 H51 B2 F8 Fe N5 P4 -","- C108 H102 B4 F16 Fe2 N10 P8 -","2","1","","Frank, Nicolas; Hanau, Katharina; Flosdorf, Kimon; Langer, Robert","Formation of an iron phosphine-borane complex by formal insertion of BH₃ into the Fe-P bond.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11252","11261","10.1039/c3dt51254a","","","0.71073","MoKα","","0.0399","0.0329","","","0.087","0.0892","","","","","","1.044","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023385","9.5776","0.0019","21.887","0.004","11.26","0.002","90","","106.34","0.03","90","","2265","0.8","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H51 B Fe N2 O P4 -","- C50 H51 B Fe N2 O P4 -","- C100 H102 B2 Fe2 N4 O2 P8 -","2","1","","Frank, Nicolas; Hanau, Katharina; Flosdorf, Kimon; Langer, Robert","Formation of an iron phosphine-borane complex by formal insertion of BH₃ into the Fe-P bond.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11252","11261","10.1039/c3dt51254a","","","0.71073","MoKα","","0.1216","0.0842","","","0.0865","0.0946","","","","","","1.067","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023386","13.018","0.003","19.641","0.004","20.451","0.004","102.39","0.03","93.89","0.03","106.63","0.03","4847","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H53 B Fe N4 P4 -","- C52 H53 B Fe N4 P4 -","- C208 H212 B4 Fe4 N16 P16 -","4","2","","Frank, Nicolas; Hanau, Katharina; Flosdorf, Kimon; Langer, Robert","Formation of an iron phosphine-borane complex by formal insertion of BH₃ into the Fe-P bond.","Dalton transactions (Cambridge, England : 2003)","2013","42","31","11252","11261","10.1039/c3dt51254a","","","0.71073","MoKα","","0.1242","0.0497","","","0.0885","0.1053","","","","","","0.849","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023387","9.275","0.005","12.922","0.007","14.564","0.008","105.06","0.009","97.194","0.01","96.254","0.01","1654","1.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 Co5 N26 O14 -","- C36 H38 Co5 N26 O14 -","- C36 H38 Co5 N26 O14 -","1","0.5","","Liu, Bo; Zhao, Ruili; Yue, Kefen; Shi, Jingtao; Yu, Yang; Wang, Yaoyu","New amine-functionalized cobalt cluster-based frameworks with open metal sites and suitable pore sizes: multipoint interactions enhanced CO2 sorption.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13990","13996","10.1039/c3dt51258d","","","0.71073","MoKα","","0.0944","0.0749","","","0.211","0.2239","","","","","","1","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023388","16.245","0.007","18.294","0.007","16.222","0.006","90","","106.622","0.008","90","","4619","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H21 Co5 N10 O20 -","- C35 H21 Co5 N10 O20 -","- C140 H84 Co20 N40 O80 -","4","0.5","","Liu, Bo; Zhao, Ruili; Yue, Kefen; Shi, Jingtao; Yu, Yang; Wang, Yaoyu","New amine-functionalized cobalt cluster-based frameworks with open metal sites and suitable pore sizes: multipoint interactions enhanced CO2 sorption.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13990","13996","10.1039/c3dt51258d","","","0.71073","MoKα","","0.1665","0.1019","","","0.2619","0.2998","","","","","","1.037","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023389","18.4946","0.0013","7.3745","0.0005","30.442","0.002","90","","90","","90","","4151.9","0.5","203","2","203","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C38 H40 Au2 F12 N8 P2 -","- C38 H40 Au2 F12 N8 P2 -","- C152 H160 Au8 F48 N32 P8 -","4","0.25","","Tubaro, Cristina; Baron, Marco; Costante, Michele; Basato, Marino; Biffis, Andrea; Gennaro, Armando; Isse, Abdirisak Ahmed; Graiff, Claudia; Accorsi, Gianluca","Dinuclear gold(I) complexes with propylene bridged N-heterocyclic dicarbene ligands: synthesis, structures, and trends in reactivities and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10952","10963","10.1039/c3dt51260f","","","0.71073","MoKα","","0.0638","0.0481","","","0.0913","0.0956","","","","","","1.244","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023390","7.8486","0.0017","10.815","0.002","11.954","0.003","107.868","0.003","99.269","0.003","98.95","0.003","930.2","0.4","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Au2 F12 N8 P2 -","- C30 H36 Au2 F12 N8 P2 -","- C30 H36 Au2 F12 N8 P2 -","1","0.5","","Tubaro, Cristina; Baron, Marco; Costante, Michele; Basato, Marino; Biffis, Andrea; Gennaro, Armando; Isse, Abdirisak Ahmed; Graiff, Claudia; Accorsi, Gianluca","Dinuclear gold(I) complexes with propylene bridged N-heterocyclic dicarbene ligands: synthesis, structures, and trends in reactivities and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","30","10952","10963","10.1039/c3dt51260f","","","0.71073","MoKα","","0.0545","0.0408","","","0.098","0.1044","","","","","","0.979","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023391","11.2547","0.0015","13.1302","0.0018","14.795","0.002","101.098","0.002","98.513","0.002","99.049","0.002","2082.6","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H39 Cl3 Ir N O6 P2 -","- C45 H39 Cl3 Ir N O6 P2 -","- C90 H78 Cl6 Ir2 N2 O12 P4 -","2","1","","Garralda, María A; Mendicute-Fierro, Claudio; Rodríguez-Diéguez, Antonio; Seco, José M; Ubide, Carlos; Zumeta, Itziar","Efficient hydridoirida-β-diketone-catalyzed hydrolysis of ammonia- or amine-boranes for hydrogen generation in air.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11652","11660","10.1039/c3dt51261d","","","0.71069","MoKα","","0.0382","0.0333","","","0.0724","0.075","","","","","","1.046","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023392","10.108","0.003","13.897","0.004","15.301","0.004","98.591","0.004","104.313","0.004","97.696","0.003","2026.3","1","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C62.6 H29.2 Cl5.2 F24 N4 O16 Ru4 -","- C62.6 H24 Cl5.2 F24 N4 O16 Ru4 -","- C62.6 H24 Cl5.2 F24 N4 O16 Ru4 -","1","0.5","","Nishio, Masaki; Motokawa, Natsuko; Takemura, Miho; Miyasaka, Hitoshi","Modification of charge transfer in a two-dimensional donor/acceptor framework by the insertion of another donor-type molecule into electronegative interlayer pockets.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15898","15901","10.1039/c3dt51271a","","","0.71075","MoKα","","","0.0881","","","","0.2515","","","","","","1.087","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023393","9.895","0.004","21.386","0.007","20.452","0.007","90","","99.418","0.007","90","","4270","3","103","","103","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C65 H26 Cl10 F28 N4 O16 Ru4 -","- C65 H20 Cl10 F28 N4 O16 Ru4 -","- C130 H40 Cl20 F56 N8 O32 Ru8 -","2","0.5","","Nishio, Masaki; Motokawa, Natsuko; Takemura, Miho; Miyasaka, Hitoshi","Modification of charge transfer in a two-dimensional donor/acceptor framework by the insertion of another donor-type molecule into electronegative interlayer pockets.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15898","15901","10.1039/c3dt51271a","","","0.71075","MoKα","","","0.0945","","","","0.2739","","","","","","1.064","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023394","11.0548","0.0005","11.721","0.0004","12.15","0.0004","96.673","0.002","105.695","0.003","91.203","0.003","1503.09","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C52.8 H48 F9.6 Mn2 N12 O10.4 P0.2 S2.8 -","- C52.8 H48 F9.6 Mn2 N12 O10.4 P0.2 S2.8 -","- C52.8 H48 F9.6 Mn2 N12 O10.4 P0.2 S2.8 -","1","0.5","","Leto, Domenick F.; Chattopadhyay, Swarup; Day, Victor W.; Jackson, Timothy A.","Reaction landscape of a pentadentate N5-ligated Mn(II) complex with O2˙- and H2O2 includes conversion of a peroxomanganese(III) adduct to a bis(μ-oxo)dimanganese(III,IV) species.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13014","13025","10.1039/c3dt51277k","","","1.54178","CuKα","","0.0993","0.0885","","","0.2502","0.2624","","","","","","1.015","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023395","25.7399","0.0006","12.5771","0.0003","17.9093","0.0004","90","","105.427","0.001","90","","5588.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 F18 Mn2 N10 O2.5 P3 -","- C46 H42 F18 Mn2 N10 O2.5 P3 -","- C184 H168 F72 Mn8 N40 O10 P12 -","4","1","","Leto, Domenick F.; Chattopadhyay, Swarup; Day, Victor W.; Jackson, Timothy A.","Reaction landscape of a pentadentate N5-ligated Mn(II) complex with O2˙- and H2O2 includes conversion of a peroxomanganese(III) adduct to a bis(μ-oxo)dimanganese(III,IV) species.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13014","13025","10.1039/c3dt51277k","","","1.54178","CuKα","","0.1456","0.1262","","","0.3186","0.33","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023396","10.1257","0.001","13.5984","0.0014","20.253","0.002","90","","90","","90","","2788.7","0.5","233","2","233","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H15 B F4 Fe N2 -","- C13 H15 B F4 Fe N2 -","- C104 H120 B8 F32 Fe8 N16 -","8","1","","Varnado, Jr, C Daniel; Rosen, Evelyn L.; Collins, Mary S.; Lynch, Vincent M.; Bielawski, Christopher W.","Synthesis and study of olefin metathesis catalysts supported by redox-switchable diaminocarbene[3]ferrocenophanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13251","13264","10.1039/c3dt51278a","","","0.71069","MoKα","","0.0623","0.0408","","","0.0994","0.1113","","","","","","1.025","","","","has coordinates,has disorder","179938","2020-10-21","18:00:00",""
"7023397","22.976","0.004","6.4866","0.001","26.186","0.005","90","","94.263","0.003","90","","3891.9","1.2","233","2","233","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C21 H26 Cl Fe Ir N2 -","- C21 H26 Cl Fe Ir N2 -","- C168 H208 Cl8 Fe8 Ir8 N16 -","8","1","","Varnado, Jr, C Daniel; Rosen, Evelyn L.; Collins, Mary S.; Lynch, Vincent M.; Bielawski, Christopher W.","Synthesis and study of olefin metathesis catalysts supported by redox-switchable diaminocarbene[3]ferrocenophanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13251","13264","10.1039/c3dt51278a","","","0.71069","MoKα","","0.0213","0.0182","","","0.0431","0.0443","","","","","","1.092","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023398","7.8524","0.0016","12.17","0.002","17.782","0.004","98.77","0.03","91.41","0.03","108.35","0.03","1589.3","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H14 Cl Fe Ir N2 O2 -","- C15 H14 Cl Fe Ir N2 O2 -","- C60 H56 Cl4 Fe4 Ir4 N8 O8 -","4","2","","Varnado, Jr, C Daniel; Rosen, Evelyn L.; Collins, Mary S.; Lynch, Vincent M.; Bielawski, Christopher W.","Synthesis and study of olefin metathesis catalysts supported by redox-switchable diaminocarbene[3]ferrocenophanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13251","13264","10.1039/c3dt51278a","","","0.71073","MoKα","","0.0409","0.0348","","","0.0841","0.0881","","","","","","1.023","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023399","16.7743","0.0011","15.8294","0.0009","17.3028","0.0012","90","","108.242","0.002","90","","4363.5","0.5","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C52 H45 Cl2 Fe N2 P Ru -","- C52 H45 Cl2 Fe N2 P Ru -","- C208 H180 Cl8 Fe4 N8 P4 Ru4 -","4","1","","Varnado, Jr, C Daniel; Rosen, Evelyn L.; Collins, Mary S.; Lynch, Vincent M.; Bielawski, Christopher W.","Synthesis and study of olefin metathesis catalysts supported by redox-switchable diaminocarbene[3]ferrocenophanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13251","13264","10.1039/c3dt51278a","","","0.71073","MoKα","","0.147","0.0573","","","0.0794","0.0974","","","","","","0.987","","","","has coordinates","179938","2020-10-21","18:00:00",""
"7023400","14.5623","0.0009","19.3183","0.0012","13.9662","0.0008","90","","112.907","0.001","90","","3619.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H46 Cl2 Fe N4 Ru -","- C41 H46 Cl2 Fe N4 Ru -","- C164 H184 Cl8 Fe4 N16 Ru4 -","4","1","","Varnado, Jr, C Daniel; Rosen, Evelyn L.; Collins, Mary S.; Lynch, Vincent M.; Bielawski, Christopher W.","Synthesis and study of olefin metathesis catalysts supported by redox-switchable diaminocarbene[3]ferrocenophanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13251","13264","10.1039/c3dt51278a","","","0.71075","MoKα","","0.0499","0.0388","","","0.0868","0.0926","","","","","","1.057","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023401","9.536","0.005","11.665","0.005","19.178","0.005","79.85","0.005","86.907","0.005","67.101","0.005","1934.2","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 N5 O3 S2 -","- C38 H50 N5 O3 S2 -","- C76 H100 N10 O6 S4 -","2","1","","Chen, Xiaoli; Meng, Xiangming; Wang, Shuxing; Cai, Yulei; Wu, Yifan; Feng, Yan; Zhu, Manzhou; Guo, Qingxiang","A rhodamine-based fluorescent probe for detecting Hg(2+) in a fully aqueous environment.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14819","14825","10.1039/c3dt51279g","","","0.71069","MoKα","","0.0829","0.0634","","","0.2038","0.2223","","","","","","1.068","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023402","16.7186","0.0006","26.4926","0.0009","9.334","0.0003","90","","109.714","0.001","90","","3891.9","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","MeCN_Et2O","","","- C40 H28 F10 Ir N8 P -","- C40 H28 F10 Ir N8 P -","- C160 H112 F40 Ir4 N32 P4 -","4","0.5","","Welby, Christine E.; Gilmartin, Luke; Marriott, Ryan R.; Zahid, Adam; Rice, Craig R.; Gibson, Elizabeth A.; Elliott, Paul I. P.","Luminescent biscyclometalated arylpyridine iridium(III) complexes with 4,4'-bi-1,2,3-triazolyl ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13527","13536","10.1039/c3dt51284c","","","0.71073","","","0.0291","0.0222","","","0.0496","0.0524","","","","","","1.04","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023403","13.0144","0.0007","13.3032","0.0008","24.2891","0.0015","78.746","0.001","87.429","0.001","64.527","0.001","3719.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 F6 Ir N8 P -","- C40 H32 F6 Ir N8 P -","- C160 H128 F24 Ir4 N32 P4 -","4","2","","Welby, Christine E.; Gilmartin, Luke; Marriott, Ryan R.; Zahid, Adam; Rice, Craig R.; Gibson, Elizabeth A.; Elliott, Paul I. P.","Luminescent biscyclometalated arylpyridine iridium(III) complexes with 4,4'-bi-1,2,3-triazolyl ancillary ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13527","13536","10.1039/c3dt51284c","","","0.71073","MoKα","","0.0374","0.025","","","0.0491","0.0529","","","","","","1.007","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023404","10.482","0.0006","11.9852","0.0007","18.7378","0.001","90","","90","","90","","2354","0.2","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl2 N2 O9 S3 Zn -","- C18 H24 Cl2 N2 O9 S3 Zn -","- C72 H96 Cl8 N8 O36 S12 Zn4 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Lodeiro, Carlos; Mameli, Marta; Montis, Riccardo; Mostallino, M. Cristina; Pintus, Anna; Puccioni, Stefano","Zn2+/Cd2+ optical discrimination by fluorescent chemosensors based on 8-hydroxyquinoline derivatives and sulfur-containing macrocyclic units.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14516","14530","10.1039/c3dt51292d","","","0.71073","MoKα","","0.164","0.1006","","","0.1788","0.2108","","","","","","1.093","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023405","20.349","0.004","9.0314","0.0016","25.901","0.005","90","","105.22","0.002","90","","4593.1","1.5","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C36 H48 B2 Cl2 F8 N4 O3 S6 Zn -","- C36 H48 B2 Cl2 F8 N4 O3 S6 Zn -","- C144 H192 B8 Cl8 F32 N16 O12 S24 Zn4 -","4","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Lodeiro, Carlos; Mameli, Marta; Montis, Riccardo; Mostallino, M. Cristina; Pintus, Anna; Puccioni, Stefano","Zn2+/Cd2+ optical discrimination by fluorescent chemosensors based on 8-hydroxyquinoline derivatives and sulfur-containing macrocyclic units.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14516","14530","10.1039/c3dt51292d","","","0.71075","MoKα","","0.0422","0.0403","","","0.1057","0.1074","","","","","","1.097","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023406","39.869","0.004","13.5647","0.0012","20.4661","0.0018","90","","90.536","0.002","90","","11067.8","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H56 Cl2 Cu N12 O14 -","- C38 H56 Cl2 Cu N12 O14 -","- C304 H448 Cl16 Cu8 N96 O112 -","8","1","","Bhattacharyya, Sudipta; Sarkar, Amrita; Dey, Suman Kr; Jose, Gregor P.; Mukherjee, Arindam; Sengupta, Tapas K.","Copper(II) complex of methionine conjugated bis-pyrazole based ligand promotes dual pathway for DNA cleavage.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11709","11719","10.1039/c3dt51296g","","","0.71073","MoKα","","0.0515","0.0445","","","0.1213","0.1245","","","","","","1.065","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023407","9.9692","0.001","10.5011","0.0011","14.4625","0.0016","69.076","0.002","70.144","0.002","82.168","0.002","1329.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H72 Cl2 Cu N16 O8 -","- C46 H72 Cl2 Cu N16 O8 -","- C46 H72 Cl2 Cu N16 O8 -","1","0.5","","Bhattacharyya, Sudipta; Sarkar, Amrita; Dey, Suman Kr; Jose, Gregor P.; Mukherjee, Arindam; Sengupta, Tapas K.","Copper(II) complex of methionine conjugated bis-pyrazole based ligand promotes dual pathway for DNA cleavage.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11709","11719","10.1039/c3dt51296g","","","0.71073","MoKα","","0.0497","0.0467","","","0.1419","0.1447","","","","","","1.063","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023408","10.9216","0.0011","11.5633","0.0011","13.5707","0.0013","71.247","0.002","69.31","0.002","85.255","0.002","1517.3","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C37 H54 Cl4 Cu N10 O14 S2 -","- C37 H54 Cl4 Cu N10 O14 S2 -","- C37 H54 Cl4 Cu N10 O14 S2 -","1","1","","Bhattacharyya, Sudipta; Sarkar, Amrita; Dey, Suman Kr; Jose, Gregor P.; Mukherjee, Arindam; Sengupta, Tapas K.","Copper(II) complex of methionine conjugated bis-pyrazole based ligand promotes dual pathway for DNA cleavage.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11709","11719","10.1039/c3dt51296g","","","0.71073","MoKα","","0.057","0.0524","","","0.1463","0.1495","","","","","","1.066","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023409","16.2556","0.0002","22.8571","0.0004","25.5874","0.0004","90","","102.044","0.0015","90","","9297.9","0.3","120.02","0.1","120.02","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H77 Cl5 Fe5 N15 O46 -","- C58 H71 Cl5 Fe5 N14 O45 -","- C232 H284 Cl20 Fe20 N56 O180 -","4","1","","Russell, Mark E.; Hawes, Chris S.; Ferguson, Alan; Polson, Matthew I. J.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.","Synthesis, structural and magnetic characterisation of iron(II/III), cobalt(II) and copper(II) cluster complexes of the polytopic ligand: N-(2-pyridyl)-3-carboxypropanamide.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13576","13583","10.1039/c3dt51301g","","","1.5418","CuKα","","0.1325","0.0998","","","0.3016","0.325","","","","","","1.195","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023410","25.9059","0.0004","14.9866","0.0002","27.3422","0.0004","90","","91.2539","0.0015","90","","10612.8","0.3","120.01","0.1","120.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C79.5 H113 Cl3 Co8 N16 O52 -","- C79.5 H113 Cl3 Co8 N16 O52 -","- C318 H452 Cl12 Co32 N64 O208 -","4","0.5","","Russell, Mark E.; Hawes, Chris S.; Ferguson, Alan; Polson, Matthew I. J.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.","Synthesis, structural and magnetic characterisation of iron(II/III), cobalt(II) and copper(II) cluster complexes of the polytopic ligand: N-(2-pyridyl)-3-carboxypropanamide.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13576","13583","10.1039/c3dt51301g","","","0.7107","MoKα","","0.0583","0.0481","","","0.0978","0.1029","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023411","41.7229","0.0008","13.7165","0.0003","15.3592","0.0003","90","","91.5503","0.0018","90","","8786.7","0.3","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 Cu6 N8 O21 -","- C38 H42 Cu6 N8 O21 -","- C304 H336 Cu48 N64 O168 -","8","1","","Russell, Mark E.; Hawes, Chris S.; Ferguson, Alan; Polson, Matthew I. J.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.","Synthesis, structural and magnetic characterisation of iron(II/III), cobalt(II) and copper(II) cluster complexes of the polytopic ligand: N-(2-pyridyl)-3-carboxypropanamide.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13576","13583","10.1039/c3dt51301g","","","1.5418","CuKα","","0.0413","0.0338","","","0.0881","0.094","","","","","","1.028","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023412","37.684","0.003","11.414","0.002","16.103","0.002","90","","100.24","0.02","90","","6816","1.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H44 I2 N2 S -","- C34 H44 I2 N2 S -","- C272 H352 I16 N16 S8 -","8","1","","Tretiakov, Mykyta; Shermolovich, Yuriy G.; Singh, Amit Pratap; Samuel, Prinson P.; Roesky, Herbert W.; Niepötter, Benedikt; Visscher, Arne; Stalke, Dietmar","Lewis-base stabilized diiodine adducts with N-heterocyclic chalcogenamides.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12940","12946","10.1039/c3dt51309b","","","0.56086","AgKα","","0.0397","0.0304","","","0.0654","0.0687","","","","","","1.027","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023413","9.52","0.002","11.141","0.002","12.138","0.002","91.69","0.02","100.62","0.02","103.7","0.02","1225.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H35 I2 N S -","- C23 H35 I2 N S -","- C46 H70 I4 N2 S2 -","2","1","","Tretiakov, Mykyta; Shermolovich, Yuriy G.; Singh, Amit Pratap; Samuel, Prinson P.; Roesky, Herbert W.; Niepötter, Benedikt; Visscher, Arne; Stalke, Dietmar","Lewis-base stabilized diiodine adducts with N-heterocyclic chalcogenamides.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12940","12946","10.1039/c3dt51309b","","","0.56086","AgKα","","0.0357","0.0255","","","0.0527","0.0552","","","","","","1.054","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023414","9.869","0.001","9.876","0.002","11.968","0.001","92.04","0.01","100.33","0.02","93.28","0.01","1144.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H31 I2 N Se -","- C20 H31 I2 N Se -","- C40 H62 I4 N2 Se2 -","2","1","","Tretiakov, Mykyta; Shermolovich, Yuriy G.; Singh, Amit Pratap; Samuel, Prinson P.; Roesky, Herbert W.; Niepötter, Benedikt; Visscher, Arne; Stalke, Dietmar","Lewis-base stabilized diiodine adducts with N-heterocyclic chalcogenamides.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12940","12946","10.1039/c3dt51309b","","","0.56086","AgKα","","0.0247","0.0194","","","0.039","0.0407","","","","","","1.031","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023415","11.108","0.002","16.44","0.002","12.754","0.002","90","","99.76","0.02","90","","2295.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H31 I2 N Te -","- C20 H31 I2 N Te -","- C80 H124 I8 N4 Te4 -","4","1","","Tretiakov, Mykyta; Shermolovich, Yuriy G.; Singh, Amit Pratap; Samuel, Prinson P.; Roesky, Herbert W.; Niepötter, Benedikt; Visscher, Arne; Stalke, Dietmar","Lewis-base stabilized diiodine adducts with N-heterocyclic chalcogenamides.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12940","12946","10.1039/c3dt51309b","","","0.56086","AgKα","","0.0484","0.0313","","","0.0458","0.0492","","","","","","1.064","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023416","9.2998","0.0019","12.384","0.003","26.896","0.005","90","","90","","90","","3097.6","1.1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Ba6 Se13 Sn6 -","- Ba6 Se13 Sn6 -","- Ba24 Se52 Sn24 -","4","1","","Feng, Kai; Jiang, Xingxing; Kang, Lei; Yin, Wenlong; Hao, Wenyu; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng; Chen, Chuangtian","Ba6Sn6Se13: a new mixed valence selenostannate with NLO property.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13635","13641","10.1039/c3dt51317c","","","0.71073","MoKα","","0.0545","0.0487","","","0.1202","0.1245","","","","","","0.948","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023417","11.597","0.005","11.793","0.005","17.685","0.006","77.253","0.016","75.45","0.017","84.73","0.016","2281.7","1.6","93","","93","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H50 B3 Cl F4 N16 O4 Ru2 -","- C35 H26 B3 Cl F4 N16 O4 Ru2 -","- C70 H52 B6 Cl2 F8 N32 O8 Ru4 -","2","1","","Arikawa, Yasuhiro; Ikeda, Ayumi; Matsumoto, Naoki; Umakoshi, Keisuke","Reactivity of a nitrosyl ligand on dinuclear ruthenium hydrotris(pyrazolyl)borato complexes toward a NO molecule.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11626","11631","10.1039/c3dt51319j","","","0.71075","MoKα","","","0.098","","","","0.2782","","","","","","1.067","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023418","19.3345","0.0005","19.3345","0.0005","14.6049","0.0004","90","","90","","120","","4728.2","0.2","93","","93","","","","","","","","","7","P 63/m","-P 6c","176","","","","- C23 H29.67 B2 Cl1.67 N15 O2.33 Ru2 -","- C23 H23 B2 Cl1.67 N15 O2.33 Ru2 -","- C138 H138 B12 Cl10.02 N90 O13.98 Ru12 -","6","0.5","","Arikawa, Yasuhiro; Ikeda, Ayumi; Matsumoto, Naoki; Umakoshi, Keisuke","Reactivity of a nitrosyl ligand on dinuclear ruthenium hydrotris(pyrazolyl)borato complexes toward a NO molecule.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11626","11631","10.1039/c3dt51319j","","","0.71075","MoKα","","","0.0255","","","","0.072","","","","","","1.045","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023419","9.2986","0.0015","14.618","0.003","13.39","0.003","90","","100.519","0.003","90","","1789.5","0.6","93","","93","","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C24 H30 B3 Cl3 F4 N14 O Ru2 -","- C24 H26 B3 Cl3 F4 N14 O Ru2 -","- C48 H52 B6 Cl6 F8 N28 O2 Ru4 -","2","0.5","","Arikawa, Yasuhiro; Ikeda, Ayumi; Matsumoto, Naoki; Umakoshi, Keisuke","Reactivity of a nitrosyl ligand on dinuclear ruthenium hydrotris(pyrazolyl)borato complexes toward a NO molecule.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11626","11631","10.1039/c3dt51319j","","","0.71075","MoKα","","","0.0422","","","","0.1125","","","","","","1.044","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023420","11.2451","0.0015","11.8268","0.0015","33.225","0.005","90","","98.519","0.003","90","","4370","1","93","","93","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 B4 Cl7 F8 N15 O2 Ru2 -","- C24 H29 B4 Cl7 F8 N15 O2 Ru2 -","- C96 H116 B16 Cl28 F32 N60 O8 Ru8 -","4","1","","Arikawa, Yasuhiro; Ikeda, Ayumi; Matsumoto, Naoki; Umakoshi, Keisuke","Reactivity of a nitrosyl ligand on dinuclear ruthenium hydrotris(pyrazolyl)borato complexes toward a NO molecule.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11626","11631","10.1039/c3dt51319j","","","0.71075","MoKα","","","0.0571","","","","0.1521","","","","","","1.053","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023421","9.8502","0.0011","13.0136","0.0014","16.0601","0.0017","78.905","0.006","76.782","0.007","89.43","0.007","1965.4","0.4","90","0.1","90","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C43 H33 Cl3 Ir N4 P S3 -","- C43 H33 Cl3 Ir N4 P S3 -","- C86 H66 Cl6 Ir2 N8 P2 S6 -","2","1","","Moore, Stephanie A.; Davies, David L.; Karim, Marcus M.; Nagle, Jeffrey K.; Wolf, Michael O.; Patrick, Brian O.","Photophysical behaviour of cyclometalated iridium(III) complexes with phosphino(terthiophene) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12354","12363","10.1039/c3dt51320c","","","0.71073","MoKα","","0.0423","0.0323","","","0.0766","0.0813","","","","","","1.063","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023422","9.1409","0.0008","20.6403","0.0018","24.406","0.002","90","","90","","90","","4604.7","0.7","90","0.1","90","0.1","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C44 H35 B Cl4 F4 Ir N4 P S3 -","- C44 H35 B Cl4 F4 Ir N4 P S3 -","- C176 H140 B4 Cl16 F16 Ir4 N16 P4 S12 -","4","1","","Moore, Stephanie A.; Davies, David L.; Karim, Marcus M.; Nagle, Jeffrey K.; Wolf, Michael O.; Patrick, Brian O.","Photophysical behaviour of cyclometalated iridium(III) complexes with phosphino(terthiophene) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12354","12363","10.1039/c3dt51320c","","","0.71073","MoKα","","0.0358","0.031","","","0.0714","0.0736","","","","","","1.036","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023423","11.4198","0.001","11.2035","0.001","16.8429","0.0013","90","","106.532","0.002","90","","2065.8","0.3","90","0.1","90","0.1","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C47 H35 Cl3 Ir N2 P S3 -","- C47 H35 Cl3 Ir N2 P S3 -","- C94 H70 Cl6 Ir2 N4 P2 S6 -","2","1","","Moore, Stephanie A.; Davies, David L.; Karim, Marcus M.; Nagle, Jeffrey K.; Wolf, Michael O.; Patrick, Brian O.","Photophysical behaviour of cyclometalated iridium(III) complexes with phosphino(terthiophene) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12354","12363","10.1039/c3dt51320c","","","0.71073","MoKα","","0.0361","0.0281","","","0.0489","0.0515","","","","","","0.874","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023424","9.9313","0.0003","17.0695","0.0004","20.9214","0.0005","90","","91.624","0.001","90","","3545.22","0.16","100","0.2","100","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 Ir N4 P S3 -","- C42 H30 Ir N4 P S3 -","- C168 H120 Ir4 N16 P4 S12 -","4","1","","Moore, Stephanie A.; Davies, David L.; Karim, Marcus M.; Nagle, Jeffrey K.; Wolf, Michael O.; Patrick, Brian O.","Photophysical behaviour of cyclometalated iridium(III) complexes with phosphino(terthiophene) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12354","12363","10.1039/c3dt51320c","","","0.71073","MoKα","","0.0255","0.0197","","","0.0423","0.0441","","","","","","1.027","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023425","16.288","0.005","10.715","0.005","21.808","0.005","90","0.005","107.542","0.005","90","0.005","3629","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Co N10 Ni2 O4 -","- C38 H32 Co N10 Ni2 O4 -","- C152 H128 Co4 N40 Ni8 O16 -","4","1","","Ghosh, Soumavo; Mukherjee, Sandip; Seth, Piya; Mukherjee, Partha Sarathi; Ghosh, Ashutosh","Solvent-templated supramolecular isomerism in 2D coordination polymer constructed by Ni(II)2Co(II) nodes and dicyanamido spacers: drastic change in magnetic behaviours.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13554","13564","10.1039/c3dt51326b","","","0.71073","MoKα","","0.0634","0.0388","","","0.0902","0.1008","","","","","","1.042","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023426","10.453","0.005","10.453","0.005","35.841","0.005","90","0.005","90","0.005","90","0.005","3916","3","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C40 H35 Co N11 Ni2 O4 -","- C40 H35 Co N11 Ni2 O4 -","- C160 H140 Co4 N44 Ni8 O16 -","4","0.5","","Ghosh, Soumavo; Mukherjee, Sandip; Seth, Piya; Mukherjee, Partha Sarathi; Ghosh, Ashutosh","Solvent-templated supramolecular isomerism in 2D coordination polymer constructed by Ni(II)2Co(II) nodes and dicyanamido spacers: drastic change in magnetic behaviours.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13554","13564","10.1039/c3dt51326b","","","0.71073","MoKα","","0.0461","0.0393","","","0.0987","0.103","","","","","","1.088","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023427","12.708","0.003","24.299","0.005","11.426","0.003","90","","100.26","0.02","90","","3471.8","1.4","105","2","105","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H66 Cl4 Mn3 N8 O14 -","- C66 H66 Cl4 Mn3 N8 O14 -","- C132 H132 Cl8 Mn6 N16 O28 -","2","0.5","","Alcazar, Laura; Cordero, Beatriz; Esteban, Jordi; Tangoulis, Vassilis; Font-Bardia, Mercè; Calvet, Teresa; Escuer, Albert","Manganese clusters derived from 2-pyridylcyanoxime: new topologies and a large spin ground state in pyridyloximate chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12334","12345","10.1039/c3dt51329g","","","0.71073","MoKα","","0.0493","0.0432","","","0.1194","0.124","","","","","","1.093","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023428","13.1707","0.0006","24.1765","0.0009","25.4451","0.001","90","","105.261","0.002","90","","7816.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C126 H74 Mn8 N48 O29 -","- C126 H74 Mn8 N48 O29 -","- C252 H148 Mn16 N96 O58 -","2","0.5","","Alcazar, Laura; Cordero, Beatriz; Esteban, Jordi; Tangoulis, Vassilis; Font-Bardia, Mercè; Calvet, Teresa; Escuer, Albert","Manganese clusters derived from 2-pyridylcyanoxime: new topologies and a large spin ground state in pyridyloximate chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12334","12345","10.1039/c3dt51329g","","","0.71073","MoKα","","0.0786","0.0428","","","0.118","0.1313","","","","","","1.027","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023429","23.9923","0.0012","23.9923","0.0012","25.274","0.0016","90","","90","","90","","14548.5","1.4","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C60 H40 Cl8 Mn4 N24 O8 -","- C60 H40 Cl8 Mn4 N24 O8 -","- C480 H320 Cl64 Mn32 N192 O64 -","8","0.5","","Alcazar, Laura; Cordero, Beatriz; Esteban, Jordi; Tangoulis, Vassilis; Font-Bardia, Mercè; Calvet, Teresa; Escuer, Albert","Manganese clusters derived from 2-pyridylcyanoxime: new topologies and a large spin ground state in pyridyloximate chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12334","12345","10.1039/c3dt51329g","","","0.71073","MoKα","","0.0679","0.0317","","","0.0515","0.0612","","","","","","0.883","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023430","25.055","0.002","15.5062","0.0013","21.1912","0.0016","90","","95.701","0.005","90","","8192.2","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 Cl12 Mn8 N24 O16 -","- C60 H48 Cl12 Mn8 N24 O16 -","- C240 H192 Cl48 Mn32 N96 O64 -","4","0.5","","Alcazar, Laura; Cordero, Beatriz; Esteban, Jordi; Tangoulis, Vassilis; Font-Bardia, Mercè; Calvet, Teresa; Escuer, Albert","Manganese clusters derived from 2-pyridylcyanoxime: new topologies and a large spin ground state in pyridyloximate chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12334","12345","10.1039/c3dt51329g","","","0.71073","MoKα","","0.0905","0.0448","","","0.1125","0.1301","","","","","","1.007","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023431","14.6596","0.0003","15.8014","0.0003","16.1286","0.0005","106.315","0.001","115.911","0.001","104.133","0.001","2919.33","0.13","100","2","1003","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H81 Mn10 N25 O30 -","- C104 H62 Mn10 N25 O30 -","- C104 H62 Mn10 N25 O30 -","1","0.5","","Alcazar, Laura; Cordero, Beatriz; Esteban, Jordi; Tangoulis, Vassilis; Font-Bardia, Mercè; Calvet, Teresa; Escuer, Albert","Manganese clusters derived from 2-pyridylcyanoxime: new topologies and a large spin ground state in pyridyloximate chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12334","12345","10.1039/c3dt51329g","","","0.71073","MoKα","","0.0399","0.035","","","0.1146","0.1201","","","","","","1.102","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023432","13.4205","0.0011","14.6915","0.001","23.22","0.0019","78.504","0.004","81.11","0.004","80.152","0.003","4385.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H78 Mn10 N28 O28 -","- C61 H62 Mn10 N28 O28 -","- C122 H124 Mn20 N56 O56 -","2","1","","Alcazar, Laura; Cordero, Beatriz; Esteban, Jordi; Tangoulis, Vassilis; Font-Bardia, Mercè; Calvet, Teresa; Escuer, Albert","Manganese clusters derived from 2-pyridylcyanoxime: new topologies and a large spin ground state in pyridyloximate chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12334","12345","10.1039/c3dt51329g","","","0.71073","MoKα","","0.0601","0.0336","","","0.0762","0.0842","","","","","","0.978","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023433","28.719","0.006","17.244","0.003","25.316","0.005","90","","110.65","0.03","90","","11732","5","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C126 H90 Cu6 N12 -","- C126 H90 Cu6 N12 -","- C504 H360 Cu24 N48 -","4","1","","Duan, Peng-Cheng; Wang, Zhao-Yang; Chen, Jing-Huo; Yang, Guang; Raptis, Raphael G.","Trigonal prismatic Cu(i) and Ag(i) pyrazolato nanocage hosts: encapsulation of S8 and hydrocarbon guests.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14951","14954","10.1039/c3dt51332g","","","0.71073","MoKα","","0.0752","0.0492","","","0.1134","0.1247","","","","","","0.966","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023434","29.531","0.006","17.782","0.004","25.286","0.005","90","","112.31","0.03","90","","12284","5","153","2","153","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C139.75 H115.75 Ag6 Cl5.25 N12 -","- C139.75 H115.75 Ag6 Cl5.25 N12 -","- C559 H463 Ag24 Cl21 N48 -","4","1","","Duan, Peng-Cheng; Wang, Zhao-Yang; Chen, Jing-Huo; Yang, Guang; Raptis, Raphael G.","Trigonal prismatic Cu(i) and Ag(i) pyrazolato nanocage hosts: encapsulation of S8 and hydrocarbon guests.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14951","14954","10.1039/c3dt51332g","","","0.71073","MoKα","","0.0808","0.0655","","","0.1308","0.1419","","","","","","1.08","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023435","17.177","0.003","17.497","0.004","24.759","0.005","89.38","0.03","71","0.03","60.76","0.03","6039","3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H92 Ag6 Cl6 N12 S8 -","- C128 H92 Ag6 Cl6 N12 S8 -","- C256 H184 Ag12 Cl12 N24 S16 -","2","1","","Duan, Peng-Cheng; Wang, Zhao-Yang; Chen, Jing-Huo; Yang, Guang; Raptis, Raphael G.","Trigonal prismatic Cu(i) and Ag(i) pyrazolato nanocage hosts: encapsulation of S8 and hydrocarbon guests.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14951","14954","10.1039/c3dt51332g","","","0.71073","MoKα","","0.1383","0.0934","","","0.1647","0.1851","","","","","","1.081","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023436","10.6829","0.0011","11.9086","0.001","14.4564","0.0012","66.786","0.008","78.615","0.008","66.326","0.009","1546.3","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Au Cl10 S4 Tl -","- C20 H16 Au Cl10 S4 Tl -","- C40 H32 Au2 Cl20 S8 Tl2 -","2","1","","Blake, Alexander J.; Donamaría, Rocío; Fernández, Eduardo J; Lasanta, Tania; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena","Heterometallic gold(I)-thallium(I) compounds with crown thioethers.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11559","11570","10.1039/c3dt51334c","","","0.71073","MoKα","","0.0676","0.0516","","","0.122","0.136","","","","","","1.02","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023437","10.9933","0.0003","11.7372","0.0004","17.4726","0.0006","90","","92.688","0.002","90","","2252.02","0.13","193","2","193","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","RD73 thf/hx","","","- C36 H24 Au2 F20 S6 Tl2 -","- C36 H24 Au2 F20 S6 Tl2 -","- C72 H48 Au4 F40 S12 Tl4 -","2","0.5","","Blake, Alexander J.; Donamaría, Rocío; Fernández, Eduardo J; Lasanta, Tania; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena","Heterometallic gold(I)-thallium(I) compounds with crown thioethers.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11559","11570","10.1039/c3dt51334c","","x-ray","0.71073","MoKα","","0.0488","0.0402","","","0.1042","0.109","","","","","","1.097","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023438","9.0826","0.0005","12.5273","0.0007","12.9677","0.0005","115.204","0.003","98.272","0.003","103.41","0.003","1248.28","0.12","193","2","193","2","","","","","","","synthesis as described","6","P -1","-P 1","2","em15rd75 thf/hex","","","- C40 H32 Au2 F20 S8 Tl2 -","- C40 H32 Au2 F20 S8 Tl2 -","- C40 H32 Au2 F20 S8 Tl2 -","1","0.5","","Blake, Alexander J.; Donamaría, Rocío; Fernández, Eduardo J; Lasanta, Tania; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena","Heterometallic gold(I)-thallium(I) compounds with crown thioethers.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11559","11570","10.1039/c3dt51334c","","x-ray","0.71073","MoKα","","0.0537","0.0389","","","0.0984","0.1068","","","","","","1.033","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023439","30.49","0.012","8.823","0.003","21.293","0.008","90","","127.172","0.014","90","","4564","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 Cl2 N4 O Zn -","- C25 H20 Cl2 N4 O Zn -","- C200 H160 Cl16 N32 O8 Zn8 -","8","1","","Kundu, Suman; Maity, Suvendu; Saha Sardar, Pinki; Ghosh, Sanjib; Ghosh, Prasanta","Mono- and di-nuclear photoluminescent complexes of zinc(II), cadmium(II) and mercury(II) of a chiral diimine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13026","13035","10.1039/c3dt51348c","","","0.71073","MoKα","","0.0743","0.0545","","","0.136","0.1629","","","","","","1.092","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023440","30.948","0.004","9.0839","0.0011","20.878","0.003","90","","127.402","0.004","90","","4662.6","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 Cl4 Hg2 N8 O2 -","- C50 H40 Cl4 Hg2 N8 O2 -","- C200 H160 Cl16 Hg8 N32 O8 -","4","0.5","","Kundu, Suman; Maity, Suvendu; Saha Sardar, Pinki; Ghosh, Sanjib; Ghosh, Prasanta","Mono- and di-nuclear photoluminescent complexes of zinc(II), cadmium(II) and mercury(II) of a chiral diimine ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13026","13035","10.1039/c3dt51348c","","","0.71073","MoKα","","0.0836","0.054","","","0.1574","0.2627","","","","","","1.192","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023441","9.0155","0.0012","17.429","0.002","15.794","0.002","90","","90","","90","","2481.7","0.5","120","2","120","2","","","","","","","","7","C 2 2 21","C 2c 2","20","A-Ghosh sample 1","Li-salt of Co(III)-dibromide complex with amidate ligand, CH3CN solvate","","- C9.45 H10 Br Co0.5 Li0.5 N3.24 O -","- C9.182 H10 Br Co0.5 Li0.5 N3.10475 O -","- C73.456 H80 Br8 Co4 Li4 N24.838 O8 -","8","1","","Ramidi, Punnamchandar; Gerasimchuk, Nikolay; Gartia, Yashraj; Felton, Charlette M.; Ghosh, Anindya","Synthesis and characterization of Co(III) amidoamine complexes: influence of substituents of the ligand on catalytic cyclic carbonate synthesis from epoxide and carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13151","13160","10.1039/c3dt51352a","","","0.71073","MoKα","","0.0654","0.0394","","","0.0815","0.0911","","","","","","0.989","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023442","10.2678","0.0006","13.4525","0.0008","14.9665","0.0009","90","","90","","90","","2067.3","0.2","120","2","120","2","","","","","","","","7","P n m a","-P 2ac 2n","62","AGhosh-3","Co(III) Schiff-base dianion, bromide; CH3CN solvate","","- C16 H21 Br Cl2 Co N5 O2 -","- C16 H21 Br Cl2 Co N5 O2 -","- C64 H84 Br4 Cl8 Co4 N20 O8 -","4","0.5","","Ramidi, Punnamchandar; Gerasimchuk, Nikolay; Gartia, Yashraj; Felton, Charlette M.; Ghosh, Anindya","Synthesis and characterization of Co(III) amidoamine complexes: influence of substituents of the ligand on catalytic cyclic carbonate synthesis from epoxide and carbon dioxide.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13151","13160","10.1039/c3dt51352a","","","0.71073","MoKα","","0.0466","0.0383","","","0.0941","0.0987","","","","","","1.091","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023443","21.536","","9.92","","13.033","","90","","108.98","","90","","2632.95","","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cu N6 O2 -","- C30 H34 Cu N6 O2 -","- C120 H136 Cu4 N24 O8 -","4","0.5","","Biswas, Surajit; Dutta, Arpan; Debnath, Mainak; Dolai, Malay; Das, Kalyan K.; Ali, Mahammad","A novel thermally stable hydroperoxo-copper(II) complex in a Cu(N2O2) chromophore of a potential N4O2 donor Schiff base ligand: synthesis, structure and catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13210","13219","10.1039/c3dt51359a","","","0.71073","MoKα","","0.0363","0.031","","","0.1051","0.1185","","","","","","1.092","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023444","13.7221","0.0011","12.1397","0.0007","31.1265","0.0017","90","","90.415","0.006","90","","5185","0.6","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C96 H60 B2 Cl16 Cu2 F8 Fe2 N8 P4 -","- C96 H60 B2 Cl16 Cu2 F8 Fe2 N8 P4 -","- C192 H120 B4 Cl32 Cu4 F16 Fe4 N16 P8 -","2","0.5","","Jana, Rajkumar; Mobin, Shaik M.; Schwederski, Brigitte; Fiedler, Jan; Kaim, Wolfgang","Variable coordination of redox-active TCNB in discrete and polymeric ferrocenylcopper(i) complexes: structures and spectroelectrochemical behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16142","16150","10.1039/c3dt51360b","","","0.71073","MoKα","","0.2007","0.0788","","","0.1808","0.2065","","","","","","0.79","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023445","11.6575","0.0005","11.7073","0.0004","19.9358","0.0007","81.307","0.003","76.495","0.003","62.819","0.004","2350.3","0.18","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H56 B Cl2 Cu F4 Fe N4 P2 -","- C45 H56 B Cl2 Cu F4 Fe N4 P2 -","- C90 H112 B2 Cl4 Cu2 F8 Fe2 N8 P4 -","2","1","","Jana, Rajkumar; Mobin, Shaik M.; Schwederski, Brigitte; Fiedler, Jan; Kaim, Wolfgang","Variable coordination of redox-active TCNB in discrete and polymeric ferrocenylcopper(i) complexes: structures and spectroelectrochemical behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16142","16150","10.1039/c3dt51360b","","","0.71073","MoKα","","0.0776","0.0535","","","0.1452","0.154","","","","","","0.984","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023446","11.05","0.003","12.255","0.004","13.652","0.004","94.145","0.007","106.864","0.006","107.51","0.005","1661.3","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Cu11 N54 O12 -","- C36 H24 Cu11 N54 O12 -","- C36 H24 Cu11 N54 O12 -","1","0.5","","Liu, Jiang; Qin, Ying-Lian; Qu, Mei; Clérac, Rodolphe; Zhang, Xian-Ming","Rung-defected ladder of azido-bridged Cu(II) chains linked by [Cu(picolinate)2] units.","Dalton transactions (Cambridge, England : 2003)","2013","42","32","11571","11575","10.1039/c3dt51363g","","","0.71073","MoKα","","0.1534","0.0793","","","0.1708","0.228","","","","","","0.98","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023447","8.8808","0.0015","12.262","0.002","12.529","0.002","111.216","0.007","95.856","0.007","98.847","0.006","1238.2","0.4","100","2","100","2","101.325","","","","","","","5","P -1","-P 1","2","Octakis(3-iodopropyl)octasilsesquioxane","Octakis(3-iodopropyl)octasilsesquioxane","","- C24 H48 I8 O12 Si8 -","- C24 H48 I8 O12 Si8 -","- C24 H48 I8 O12 Si8 -","1","0.5","","Ervithayasuporn, V.; Pornsamutsin, N.; Prangyoo, P.; Sammawutthichai, K.; Jaroentomeechai, T.; Phurat, C.; Teerawatananond, T.","One-pot synthesis of halogen exchanged silsesquioxanes: octakis(3-bromopropyl)octasilsesquioxane and octakis(3-iodopropyl)octasilsesquioxane.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13747","13753","10.1039/c3dt51373d","","x-ray","0.71073","MoKα","","0.0326","0.0308","","","0.0807","0.0823","","","","","","0.828","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023448","10.4793","0.0002","7.7033","0.0001","21.8524","0.0004","90","","100.674","0.002","90","","1733.52","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 B F2 Fe N2 -","- C21 H15 B F2 Fe N2 -","- C84 H60 B4 F8 Fe4 N8 -","4","1","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","Donor-acceptor meso-alkynylated ferrocenyl BODIPYs: synthesis, structure, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13658","13666","10.1039/c3dt51374b","","","0.71073","MoKα","","0.0296","0.0269","","","0.0685","0.0704","","","","","","1.076","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023449","15.2883","0.0005","7.3885","0.0002","22.5986","0.0006","90","","94.043","0.003","90","","2546.33","0.13","150","2","150","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C30 H19 B Cl1.5 F2 Fe N2 -","- C30 H19 B Cl1.5 F2 Fe N2 -","- C120 H76 B4 Cl6 F8 Fe4 N8 -","4","1","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","Donor-acceptor meso-alkynylated ferrocenyl BODIPYs: synthesis, structure, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13658","13666","10.1039/c3dt51374b","","","0.71073","MoKα","","0.0953","0.0738","","","0.2049","0.2274","","","","","","1.058","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023450","7.7544","0.0003","11.5491","0.0006","12.78","0.0005","89.693","0.004","72.353","0.003","78.713","0.004","1067.79","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 B F2 N2 O -","- C11 H11 B F2 N2 O -","- C44 H44 B4 F8 N8 O4 -","4","2","","Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M.","Donor-acceptor meso-alkynylated ferrocenyl BODIPYs: synthesis, structure, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13658","13666","10.1039/c3dt51374b","","","0.71073","MoKα","","0.0373","0.0339","","","0.0858","0.0882","","","","","","1.112","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023451","5.1548","0.0003","12.4592","0.0008","14.0203","0.0009","90","","92.608","0.002","90","","899.52","0.1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H10 Mg N O8 P -","- C5 H10 Mg N O8 P -","- C20 H40 Mg4 N4 O32 P4 -","4","1","","Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her","Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15332","15342","10.1039/c3dt51375k","","","0.71073","MoKα","","0.0358","0.0328","","","0.0911","0.0936","","","","","","1.022","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023452","7.3705","0.0002","8.08","0.0003","16.6038","0.0005","90","","90","","90","","988.82","0.05","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N O8 P Sr -","- C5 H10 N O8 P Sr -","- C20 H40 N4 O32 P4 Sr4 -","4","1","","Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her","Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15332","15342","10.1039/c3dt51375k","","","0.71073","MoKα","","0.0277","0.0225","","","0.0385","0.0395","","","","","","0.91","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023453","6.8609","0.0005","7.2044","0.0006","11.5167","0.0009","96.122","0.001","103.539","0.001","95.26","0.001","546.26","0.07","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H8 N O8 P Sr2 -","- C5 H8 N O8 P Sr2 -","- C10 H16 N2 O16 P2 Sr4 -","2","1","","Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her","Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15332","15342","10.1039/c3dt51375k","","","0.71073","MoKα","","0.0332","0.0285","","","0.074","0.0771","","","","","","1.077","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023454","5.2567","0.0004","8.7839","0.0006","26.549","0.0019","90","","90","","90","","1225.88","0.15","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 N O11 P2 Sr2 -","- C5 H9 N O11 P2 Sr2 -","- C20 H36 N4 O44 P8 Sr8 -","4","1","","Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her","Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15332","15342","10.1039/c3dt51375k","","","0.71073","MoKα","","0.0311","0.0269","","","0.0532","0.0542","","","","","","1.069","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7023455","5.4357","0.0004","9.0996","0.0006","27.1031","0.0018","90","","90","","90","","1340.59","0.16","295","2","295","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H9 Ba2 N O11 P2 -","- C5 H9 Ba2 N O11 P2 -","- C20 H36 Ba8 N4 O44 P8 -","4","1","","Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her","Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15332","15342","10.1039/c3dt51375k","","","0.71073","MoKα","","0.0169","0.0166","","","0.0394","0.0396","","","","","","1.07","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023456","21.4194","0.0014","5.1337","0.0003","18.4721","0.0011","90","","101.377","0.002","90","","1991.3","0.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H9 Ba N O7.5 P -","- C5 H9 Ba N O7.5 P -","- C40 H72 Ba8 N8 O60 P8 -","8","1","","Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her","Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15332","15342","10.1039/c3dt51375k","","","0.71073","MoKα","","0.0194","0.018","","","0.0461","0.0466","","","","","","1.148","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023457","5.259","0.0002","8.7686","0.0003","26.5295","0.0008","90","","90","","90","","1223.38","0.07","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8.95 Eu0.05 N O11 P2 Sr1.95 -","- C5 H8.95 Eu0.053 N O11 P2 Sr1.947 -","- C20 H35.8 Eu0.212 N4 O44 P8 Sr7.788 -","4","1","","Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her","Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15332","15342","10.1039/c3dt51375k","","","0.71073","MoKα","","0.0249","0.0216","","","0.0426","0.0433","","","","","","1.013","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023458","5.2543","0.0002","8.7559","0.0003","26.5187","0.0009","90","","90","","90","","1220.02","0.07","295","2","295","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8.93 N O11 P2 Sr1.93 Tb0.07 -","- C5 H8.93 N O11 P2 Sr1.928 Tb0.072 -","- C20 H35.72 N4 O44 P8 Sr7.712 Tb0.288 -","4","1","","Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her","Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15332","15342","10.1039/c3dt51375k","","","0.71073","MoKα","","0.0327","0.0261","","","0.0457","0.047","","","","","","1.001","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023459","10.0391","0.0003","25.3149","0.0007","18.481","0.0005","90","","117.213","0.002","90","","4176.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(1,1,1,5,5,6,6,7,7,7-decafluoro-2,4-heptanedionate)mono(5-nitro-1,10-phenanthroline) ytterbium(III)","","- C33 H10 F30 N3 O8 Yb -","- C33 H10 F30 N3 O8 Yb -","- C132 H40 F120 N12 O32 Yb4 -","4","1","","Martín-Ramos, Pablo; Pereira da Silva, Pedro S.; Lavín, Victor; Martín, Inocencio R; Lahoz, Fernando; Chamorro-Posada, Pedro; Silva, Manuela Ramos; Martín-Gil, Jesús","Structure and NIR-luminescence of ytterbium(III) beta-diketonate complexes with 5-nitro-1,10-phenanthroline ancillary ligand: assessment of chain length and fluorination impact.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13516","13526","10.1039/c3dt51376a","","","0.71073","MoKα","","0.0712","0.0454","","","0.0883","0.0994","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023460","9.7806","0.0016","14.75","0.002","23.952","0.003","90","","114.101","0.005","90","","3154.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(1,1,1-trifluoro-2,4-pentanedionate)mono(5-nitro-1,10-phenanthroline)ytterbium(III)","","- C27 H19 F9 N3 O8 Yb -","- C27 H19 F9 N3 O8 Yb -","- C108 H76 F36 N12 O32 Yb4 -","4","1","","Martín-Ramos, Pablo; Pereira da Silva, Pedro S.; Lavín, Victor; Martín, Inocencio R; Lahoz, Fernando; Chamorro-Posada, Pedro; Silva, Manuela Ramos; Martín-Gil, Jesús","Structure and NIR-luminescence of ytterbium(III) beta-diketonate complexes with 5-nitro-1,10-phenanthroline ancillary ligand: assessment of chain length and fluorination impact.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13516","13526","10.1039/c3dt51376a","","","0.71073","MoKα","","0.1434","0.0655","","","0.1618","0.2096","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023461","9.9036","0.0003","22.3251","0.0007","39.8599","0.0011","90","","90.782","0.002","90","","8812.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tris(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate)mono(5-nitro-1,10-phenanthroline) ytterbium(III)","","- C36 H37 F9 N3 O8 Yb -","- C36 H37 F9 N3 O8 Yb -","- C288 H296 F72 N24 O64 Yb8 -","8","2","","Martín-Ramos, Pablo; Pereira da Silva, Pedro S.; Lavín, Victor; Martín, Inocencio R; Lahoz, Fernando; Chamorro-Posada, Pedro; Silva, Manuela Ramos; Martín-Gil, Jesús","Structure and NIR-luminescence of ytterbium(III) beta-diketonate complexes with 5-nitro-1,10-phenanthroline ancillary ligand: assessment of chain length and fluorination impact.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13516","13526","10.1039/c3dt51376a","","","0.71073","MoKα","","0.2024","0.078","","","0.1815","0.2217","","","","","","0.961","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023462","8.729","0.0002","21.865","0.0009","13.832","0.0006","90","","91.841","0.003","90","","2638.61","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 Al N4 -","- C29 H33 Al N4 -","- C116 H132 Al4 N16 -","4","1","","Pracha, Supathana; Praban, Siriwan; Niewpung, Amornrat; Kotpisan, Gulthawach; Kongsaeree, Palangpon; Saithong, Saowanit; Khamnaen, Tossapol; Phiriyawirut, Phairat; Charoenchaidet, Sumate; Phomphrai, Khamphee","Syntheses of bis(pyrrolylaldiminato)aluminum complexes for the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15191","15198","10.1039/c3dt51377g","","","0.71073","MoKα","","0.0682","0.0462","","","0.117","0.1295","","","","","","1.032","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023463","8.866","0.0001","20.247","0.0004","24.055","0.0005","102.072","0.0008","90.286","0.0015","96.091","0.0015","4197.14","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 Al N4 -","- C31 H37 Al N4 -","- C186 H222 Al6 N24 -","6","3","","Pracha, Supathana; Praban, Siriwan; Niewpung, Amornrat; Kotpisan, Gulthawach; Kongsaeree, Palangpon; Saithong, Saowanit; Khamnaen, Tossapol; Phiriyawirut, Phairat; Charoenchaidet, Sumate; Phomphrai, Khamphee","Syntheses of bis(pyrrolylaldiminato)aluminum complexes for the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15191","15198","10.1039/c3dt51377g","","","0.71073","MoKα","","0.0591","0.0491","","","0.1251","0.1317","","","","","","1.048","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023464","20.258","0.0011","9.837","0.0008","16.204","0.0012","90","","99.646","0.005","90","","3183.4","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H45 Al N4 -","- C35 H45 Al N4 -","- C140 H180 Al4 N16 -","4","0.5","","Pracha, Supathana; Praban, Siriwan; Niewpung, Amornrat; Kotpisan, Gulthawach; Kongsaeree, Palangpon; Saithong, Saowanit; Khamnaen, Tossapol; Phiriyawirut, Phairat; Charoenchaidet, Sumate; Phomphrai, Khamphee","Syntheses of bis(pyrrolylaldiminato)aluminum complexes for the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15191","15198","10.1039/c3dt51377g","","","0.71073","MoKα","","0.0702","0.0525","","","0.1291","0.1414","","","","","","1.077","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023465","9.858","0.0002","56.74","0.0013","9.309","0.0002","90","","116.147","0.001","90","","4674.08","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Al F6 N4 -","- C25 H19 Al F6 N4 -","- C200 H152 Al8 F48 N32 -","8","2","","Pracha, Supathana; Praban, Siriwan; Niewpung, Amornrat; Kotpisan, Gulthawach; Kongsaeree, Palangpon; Saithong, Saowanit; Khamnaen, Tossapol; Phiriyawirut, Phairat; Charoenchaidet, Sumate; Phomphrai, Khamphee","Syntheses of bis(pyrrolylaldiminato)aluminum complexes for the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15191","15198","10.1039/c3dt51377g","","","0.71073","MoKα","","0.0907","0.0562","","","0.1473","0.1721","","","","","","1.062","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023466","14.842","0.0006","9.146","0.0002","16.648","0.0006","90","","97.074","0.0013","90","","2242.68","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Al N4 O2 -","- C25 H25 Al N4 O2 -","- C100 H100 Al4 N16 O8 -","4","1","","Pracha, Supathana; Praban, Siriwan; Niewpung, Amornrat; Kotpisan, Gulthawach; Kongsaeree, Palangpon; Saithong, Saowanit; Khamnaen, Tossapol; Phiriyawirut, Phairat; Charoenchaidet, Sumate; Phomphrai, Khamphee","Syntheses of bis(pyrrolylaldiminato)aluminum complexes for the polymerisation of lactide.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15191","15198","10.1039/c3dt51377g","","","0.71073","MoKα","","0.0496","0.0381","","","0.0963","0.1024","","","","","","1.053","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023467","24.654","0.0008","22.237","0.0007","39.107","0.0012","90","","90","","90","","21439.7","1.2","150","","150","","","","","","","","Omar Moudam, MO53","6","P b c a","-P 2ac 2ab","61","","","","- C51 H31 F18 Gd O9 P2 -","- C51 H31 F18 Gd O9 P2 -","- C816 H496 F288 Gd16 O144 P32 -","16","2","","Congiu, Martina; Alamiry, Mohamed; Moudam, Omar; Ciorba, Serena; Richardson, Patricia R.; Maron, Laurent; Jones, Anita C.; Richards, Bryce S.; Robertson, Neil","Preparation and photophysical studies of [Ln(hfac)3DPEPO], Ln = Eu, Tb, Yb, Nd, Gd; interpretation of total photoluminescence quantum yields.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13537","13545","10.1039/c3dt51380g","","","0.71073","MoKα","","0.1028","0.0471","","0.0542","0.0471","0.0479","","","","","","1.2141","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023468","10.395","0.0007","12.476","0.0009","22.151","0.001","90","","103.283","0.002","90","","2795.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 Al2 N5 S -","- C26 H39 Al2 N5 S -","- C104 H156 Al8 N20 S4 -","4","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Gómez, M Victoria; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M","Heteroscorpionate aluminium complexes as chiral building blocks to engineer helical architectures.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14240","14252","10.1039/c3dt51384j","","","0.71073","MoKα","","0.0638","0.0439","","","0.1166","0.1338","","","","","","1.068","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023469","15.387","0.008","19.98","0.008","18.787","0.008","90","","97.839","0.011","90","","5722","4","230","2","230","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H31 Al2 N5 S -","- C22 H31 Al2 N5 S -","- C176 H248 Al16 N40 S8 -","8","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Gómez, M Victoria; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M","Heteroscorpionate aluminium complexes as chiral building blocks to engineer helical architectures.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14240","14252","10.1039/c3dt51384j","","","0.71073","MoKα","","0.1924","0.0774","","","0.1586","0.198","","","","","","0.792","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023470","9.669","0.004","15.243","0.006","18.934","0.008","90","","90","","90","","2791","2","230","2","230","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H43 Al2 N5 O -","- C24 H43 Al2 N5 O -","- C96 H172 Al8 N20 O4 -","4","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Gómez, M Victoria; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M","Heteroscorpionate aluminium complexes as chiral building blocks to engineer helical architectures.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14240","14252","10.1039/c3dt51384j","","","0.71073","MoKα","","0.1952","0.0719","","","0.1524","0.2023","","","","","","0.914","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023471","7.51","0.003","19.539","0.009","20.952","0.009","90","","90","","90","","3074","2","230","2","230","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Al2 N5 O -","- C28 H43 Al2 N5 O -","- C112 H172 Al8 N20 O4 -","4","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Gómez, M Victoria; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M","Heteroscorpionate aluminium complexes as chiral building blocks to engineer helical architectures.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14240","14252","10.1039/c3dt51384j","","","0.71073","MoKα","","0.0952","0.0557","","","0.1087","0.1246","","","","","","1.01","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023472","9.725","0.008","34.833","0.005","10.122","0.009","90","","102.839","0.019","90","","3343","4","230","2","230","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H44 Al3 N5 O -","- C23 H44 Al3 N5 O -","- C92 H176 Al12 N20 O4 -","4","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Gómez, M Victoria; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M","Heteroscorpionate aluminium complexes as chiral building blocks to engineer helical architectures.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14240","14252","10.1039/c3dt51384j","","","0.71073","MoKα","","0.0967","0.0618","","","0.1471","0.1676","","","","","","0.952","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023473","10.4873","0.0015","19.489","0.003","11.0006","0.0015","90","","97.873","0.003","90","","2227.2","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H66 Al3 N5 O -","- C41 H66 Al3 N5 O -","- C82 H132 Al6 N10 O2 -","2","1","","Castro-Osma, Jose A; Alonso-Moreno, Carlos; Gómez, M Victoria; Márquez-Segovia, Isabel; Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Sánchez-Barba, Luis F; Rodríguez, Ana M","Heteroscorpionate aluminium complexes as chiral building blocks to engineer helical architectures.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14240","14252","10.1039/c3dt51384j","","","0.71073","MoKα","","0.0786","0.0552","","","0.1387","0.1579","","","","","","1.035","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023474","12.304","0.0003","13.1496","0.0003","14.3713","0.0003","98.9065","0.0007","104.779","0.0007","115.628","0.0007","1931.04","0.08","123","","123","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H33 Cl2 Cu F6 N O P3 -","- C39 H33 Cl2 Cu F6 N O P3 -","- C78 H66 Cl4 Cu2 F12 N2 O2 P6 -","2","1","","Yuasa, Junpei; Dan, Misato; Kawai, Tsuyoshi","Phosphorescent properties of metal-free diphosphine ligands and effects of copper binding.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16096","16101","10.1039/c3dt51390d","","","0.71075","MoKα","","","0.0455","","","","0.1287","","","","","","1.1","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023475","13.2668","0.0003","14.2781","0.0003","18.6164","0.0004","105.9","0.0007","97.149","0.0007","91.2961","0.0007","3359.17","0.13","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H58 Cl2 Cu F6 O2 P5 -","- C73 H58 Cl2 Cu F6 O2 P5 -","- C146 H116 Cl4 Cu2 F12 O4 P10 -","2","1","","Yuasa, Junpei; Dan, Misato; Kawai, Tsuyoshi","Phosphorescent properties of metal-free diphosphine ligands and effects of copper binding.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16096","16101","10.1039/c3dt51390d","","","0.71075","MoKα","","","0.0479","","","","0.133","","","","","","1.083","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023476","9.34779","0.00017","26.3269","0.0005","19.0803","0.0004","90","","105.349","0.0007","90","","4528.15","0.15","123","","123","","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C44 H36 Cl3 Cu F6 N2 O P3 -","- C44 H36 Cl3 Cu F6 N2 O P3 -","- C176 H144 Cl12 Cu4 F24 N8 O4 P12 -","4","2","","Yuasa, Junpei; Dan, Misato; Kawai, Tsuyoshi","Phosphorescent properties of metal-free diphosphine ligands and effects of copper binding.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16096","16101","10.1039/c3dt51390d","","","0.71075","MoKα","","","0.0634","","","","0.1852","","","","","","1.094","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023477","12.7325","0.0003","15.0023","0.0003","20.8003","0.0004","77.772","0.0007","85.6379","0.0007","86.0554","0.0007","3866.15","0.14","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C81 H67 Cl9 Cu F6 O2 P5 -","- C81 H67 Cl9 Cu F6 O2 P5 -","- C162 H134 Cl18 Cu2 F12 O4 P10 -","2","1","","Yuasa, Junpei; Dan, Misato; Kawai, Tsuyoshi","Phosphorescent properties of metal-free diphosphine ligands and effects of copper binding.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16096","16101","10.1039/c3dt51390d","","","0.71075","MoKα","","","0.036","","","","0.0979","","","","","","1.129","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023478","12.3245","0.0005","18.1803","0.0007","19.7378","0.0008","88.681","0.002","74.458","0.002","79.431","0.002","4186.9","0.3","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H42 Cl3 N2 Pt Si2 -","- C41 H42 Cl3 N2 Pt Si2 -","- C164 H168 Cl12 N8 Pt4 Si8 -","4","2","","Ni, Jun; Wang, You-Gui; Wang, Jin-Yun; Zhao, Yan-Qiu; Pan, Yu-Zhen; Wang, Hui-Hui; Zhang, Xu; Zhang, Jian-Jun; Chen, Zhong-Ning","A new sensor for detection of CH3CN and ClCH2CN vapors based on vapoluminescent platinum(II) complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13092","13100","10.1039/c3dt51397a","","","0.71073","MoKα","","0.0403","0.0314","","","0.0824","0.0864","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023479","12.1068","0.0004","18.3651","0.0007","21.0217","0.0007","74.111","0.002","77.9","0.002","81.188","0.002","4372.7","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H45 Cl3 N2 Pt Si2 -","- C41.5 H45 Cl3 N2 Pt Si2 -","- C166 H180 Cl12 N8 Pt4 Si8 -","4","2","","Ni, Jun; Wang, You-Gui; Wang, Jin-Yun; Zhao, Yan-Qiu; Pan, Yu-Zhen; Wang, Hui-Hui; Zhang, Xu; Zhang, Jian-Jun; Chen, Zhong-Ning","A new sensor for detection of CH3CN and ClCH2CN vapors based on vapoluminescent platinum(II) complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13092","13100","10.1039/c3dt51397a","","","0.71073","MoKα","","0.0463","0.0344","","","0.083","0.0908","","","","","","1.01","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023480","13.2821","0.0003","30.6005","0.0007","20.2538","0.0004","90","","91.823","0.001","90","","8227.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H45 N3 Pt Si2 -","- C42 H45 N3 Pt Si2 -","- C336 H360 N24 Pt8 Si16 -","8","2","","Ni, Jun; Wang, You-Gui; Wang, Jin-Yun; Zhao, Yan-Qiu; Pan, Yu-Zhen; Wang, Hui-Hui; Zhang, Xu; Zhang, Jian-Jun; Chen, Zhong-Ning","A new sensor for detection of CH3CN and ClCH2CN vapors based on vapoluminescent platinum(II) complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13092","13100","10.1039/c3dt51397a","","","0.71073","MoKα","","0.0612","0.0365","","","0.0737","0.0826","","","","","","1.021","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023481","11.8702","0.0001","14.0565","0.0002","20.2429","0.0002","109.112","0.001","102.741","0.001","91.405","0.001","3095.65","0.06","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H58 Ag3 F9 N6 O10 S3 Si3 -","- C46 H58 Ag3 F9 N6 O10 S3 Si3 -","- C92 H116 Ag6 F18 N12 O20 S6 Si6 -","2","1","","Moon, So Yun; Kim, Euni; Noh, Tae Hwan; Lee, Young-A; Jung, Ok-Sang","Triple-meso helices as alcohol reservoirs and discriminators: structural properties and thermal behaviors of silver(I) coordination molecular braids containing diethylbis(4-pyridyl)silanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13974","13980","10.1039/c3dt51398j","","","0.71073","MoKα","","0.1183","0.0847","","","0.2001","0.2247","","","","","","1.025","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023482","11.8586","0.0001","14.0453","0.0001","20.4624","0.0002","107.528","0.001","103.811","0.001","91.519","0.001","3138.1","0.05","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H60 Ag3 F9 N6 O10 S3 Si3 -","- C47 H60 Ag3 F9 N6 O10 S3 Si3 -","- C94 H120 Ag6 F18 N12 O20 S6 Si6 -","2","1","","Moon, So Yun; Kim, Euni; Noh, Tae Hwan; Lee, Young-A; Jung, Ok-Sang","Triple-meso helices as alcohol reservoirs and discriminators: structural properties and thermal behaviors of silver(I) coordination molecular braids containing diethylbis(4-pyridyl)silanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13974","13980","10.1039/c3dt51398j","","","0.71073","MoKα","","0.1365","0.0913","","","0.206","0.2352","","","","","","1.049","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023483","11.88","0.0002","13.9822","0.0002","20.7627","0.0003","105.723","0.001","104.742","0.001","92.233","0.001","3188.88","0.09","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H62 Ag3 F9 N6 O10 S3 Si3 -","- C48 H62 Ag3 F9 N6 O10 S3 Si3 -","- C96 H124 Ag6 F18 N12 O20 S6 Si6 -","2","1","","Moon, So Yun; Kim, Euni; Noh, Tae Hwan; Lee, Young-A; Jung, Ok-Sang","Triple-meso helices as alcohol reservoirs and discriminators: structural properties and thermal behaviors of silver(I) coordination molecular braids containing diethylbis(4-pyridyl)silanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13974","13980","10.1039/c3dt51398j","","","0.71073","MoKα","","0.0777","0.0604","","","0.1509","0.1655","","","","","","1.016","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023484","12.9534","0.0006","12.4354","0.0003","15.5327","0.0007","90","","99.439","0.002","90","","2468.14","0.17","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 F12 N8 P2 -","- C16 H22 F12 N8 P2 -","- C64 H88 F48 N32 P8 -","4","1","","Almalioti, Foteini; MacDougall, James; Hughes, Stephen; Hasson, Mohammed M.; Jenkins, Robert L.; Ward, Benjamin D.; Tizzard, Graham J.; Coles, Simon J.; Williams, David W.; Bamford, Sarah; Fallis, Ian A.; Dervisi, Athanasia","Convenient syntheses of cyanuric chloride-derived NHC ligands, their Ag(I) and Au(I) complexes and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12370","12380","10.1039/c3dt51400e","","","0.71073","MoKα","","0.1132","0.0744","","","0.185","0.2144","","","","","","1.042","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023485","32.5255","0.001","12.8841","0.0003","9.4379","0.0003","90","","102.935","0.002","90","","3854.7","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 Ag Cl N7 -","- C17 H25 Ag Cl N7 -","- C136 H200 Ag8 Cl8 N56 -","8","1","","Almalioti, Foteini; MacDougall, James; Hughes, Stephen; Hasson, Mohammed M.; Jenkins, Robert L.; Ward, Benjamin D.; Tizzard, Graham J.; Coles, Simon J.; Williams, David W.; Bamford, Sarah; Fallis, Ian A.; Dervisi, Athanasia","Convenient syntheses of cyanuric chloride-derived NHC ligands, their Ag(I) and Au(I) complexes and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12370","12380","10.1039/c3dt51400e","","","0.71073","MoKα","","0.0552","0.0423","","","0.0801","0.0873","","","","","","1.125","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023486","6.9514","0.0002","20.5662","0.0003","12.58","0.0003","90","","94.31","0.001","90","","1793.4","0.07","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Ag Cl N7 O2 -","- C15 H21 Ag Cl N7 O2 -","- C60 H84 Ag4 Cl4 N28 O8 -","4","1","","Almalioti, Foteini; MacDougall, James; Hughes, Stephen; Hasson, Mohammed M.; Jenkins, Robert L.; Ward, Benjamin D.; Tizzard, Graham J.; Coles, Simon J.; Williams, David W.; Bamford, Sarah; Fallis, Ian A.; Dervisi, Athanasia","Convenient syntheses of cyanuric chloride-derived NHC ligands, their Ag(I) and Au(I) complexes and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12370","12380","10.1039/c3dt51400e","","","0.71073","MoKα","","0.051","0.0369","","","0.0749","0.081","","","","","","1.061","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023487","33.142","0.006","12.612","0.002","9.2699","0.0017","90","","103.99","0.007","90","","3759.8","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 Au Cl N7 -","- C17 H25 Au Cl N7 -","- C136 H200 Au8 Cl8 N56 -","8","1","","Almalioti, Foteini; MacDougall, James; Hughes, Stephen; Hasson, Mohammed M.; Jenkins, Robert L.; Ward, Benjamin D.; Tizzard, Graham J.; Coles, Simon J.; Williams, David W.; Bamford, Sarah; Fallis, Ian A.; Dervisi, Athanasia","Convenient syntheses of cyanuric chloride-derived NHC ligands, their Ag(I) and Au(I) complexes and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12370","12380","10.1039/c3dt51400e","","","0.71075","MoKα","","0.0975","0.0704","","","0.1588","0.1668","","","","","","0.902","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023488","7.0612","0.0005","20.5399","0.0016","12.4713","0.0008","90","","95.603","0.007","90","","1800.1","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Au Cl N7 O2 -","- C15 H21 Au Cl N7 O2 -","- C60 H84 Au4 Cl4 N28 O8 -","4","1","","Almalioti, Foteini; MacDougall, James; Hughes, Stephen; Hasson, Mohammed M.; Jenkins, Robert L.; Ward, Benjamin D.; Tizzard, Graham J.; Coles, Simon J.; Williams, David W.; Bamford, Sarah; Fallis, Ian A.; Dervisi, Athanasia","Convenient syntheses of cyanuric chloride-derived NHC ligands, their Ag(I) and Au(I) complexes and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12370","12380","10.1039/c3dt51400e","","","0.71073","MoKα","","0.0333","0.0283","","","0.0629","0.0651","","","","","","1.097","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023489","7.0421","0.0007","20.089","0.002","13.092","0.0013","90","","94.12","0.007","90","","1847.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H23 Ag0.25 Au0.75 Cl N7 O -","- C16 H23 Ag0.25 Au0.75 Cl N7 O -","- C64 H92 Ag Au3 Cl4 N28 O4 -","4","1","","Almalioti, Foteini; MacDougall, James; Hughes, Stephen; Hasson, Mohammed M.; Jenkins, Robert L.; Ward, Benjamin D.; Tizzard, Graham J.; Coles, Simon J.; Williams, David W.; Bamford, Sarah; Fallis, Ian A.; Dervisi, Athanasia","Convenient syntheses of cyanuric chloride-derived NHC ligands, their Ag(I) and Au(I) complexes and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12370","12380","10.1039/c3dt51400e","","","0.71075","MoKα","","0.0972","0.0574","","","0.1238","0.1403","","","","","","0.965","","","","has coordinates,has disorder","179939","2020-10-21","18:00:00",""
"7023490","7.3461","0.0006","8.7159","0.0008","8.8803","0.0009","91.82","0.007","102.865","0.007","100.602","0.007","543.28","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 N4 O2 -","- C10 H16 N4 O2 -","- C20 H32 N8 O4 -","2","1","","Almalioti, Foteini; MacDougall, James; Hughes, Stephen; Hasson, Mohammed M.; Jenkins, Robert L.; Ward, Benjamin D.; Tizzard, Graham J.; Coles, Simon J.; Williams, David W.; Bamford, Sarah; Fallis, Ian A.; Dervisi, Athanasia","Convenient syntheses of cyanuric chloride-derived NHC ligands, their Ag(I) and Au(I) complexes and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12370","12380","10.1039/c3dt51400e","","","0.71073","MoKα","","0.0854","0.0744","","","0.2089","0.2163","","","","","","1.102","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023491","6.6913","0.0003","32.6023","0.0017","9.7316","0.0006","90","","94.225","0.007","90","","2117.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 Ag Cl4 N7 -","- C15 H22 Ag Cl4 N7 -","- C60 H88 Ag4 Cl16 N28 -","4","1","","Almalioti, Foteini; MacDougall, James; Hughes, Stephen; Hasson, Mohammed M.; Jenkins, Robert L.; Ward, Benjamin D.; Tizzard, Graham J.; Coles, Simon J.; Williams, David W.; Bamford, Sarah; Fallis, Ian A.; Dervisi, Athanasia","Convenient syntheses of cyanuric chloride-derived NHC ligands, their Ag(I) and Au(I) complexes and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12370","12380","10.1039/c3dt51400e","","","0.71075","MoKα","","0.1188","0.0742","","","0.1601","0.1801","","","","","","1.082","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023492","6.627","0.006","9.6686","0.0008","26.78","0.003","90","","96.24","0.04","90","","1705.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 Au Cl N7 -","- C14 H21 Au Cl N7 -","- C56 H84 Au4 Cl4 N28 -","4","1","","Almalioti, Foteini; MacDougall, James; Hughes, Stephen; Hasson, Mohammed M.; Jenkins, Robert L.; Ward, Benjamin D.; Tizzard, Graham J.; Coles, Simon J.; Williams, David W.; Bamford, Sarah; Fallis, Ian A.; Dervisi, Athanasia","Convenient syntheses of cyanuric chloride-derived NHC ligands, their Ag(I) and Au(I) complexes and antimicrobial activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12370","12380","10.1039/c3dt51400e","","","0.71075","MoKα","","0.0377","0.0282","","","0.0581","0.0596","","","","","","1.185","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023493","8.8565","0.0012","14.592","0.0018","26.249","0.003","90","","92.697","0.003","90","","3388.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 Cl6 Co N3 -","- C29 H35 Cl6 Co N3 -","- C116 H140 Cl24 Co4 N12 -","4","1","","Liu, Heng; Jia, Xiangyu; Wang, Feng; Dai, Quanquan; Wang, Baolin; Bi, Jifu; Zhang, Chunyu; Zhao, Liping; Bai, Chenxi; Hu, Yanming; Zhang, Xuequan","Synthesis of bis(N-arylcarboximidoylchloride)pyridine cobalt(II) complexes and their catalytic behavior for 1,3-butadiene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13723","13732","10.1039/c3dt51403j","","","0.71073","MoKα","","0.1292","0.0618","","","0.13","0.1584","","","","","","0.988","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023494","24.8916","0.0007","24.8916","0.0007","25.6814","0.0011","90","","90","","120","","13780.2","0.8","185","2","185","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C26.17 H27.33 Cl6.33 Co N3 -","- C26.1667 H27 Cl6.33 Co N3 -","- C471 H486 Cl113.94 Co18 N54 -","18","1","","Liu, Heng; Jia, Xiangyu; Wang, Feng; Dai, Quanquan; Wang, Baolin; Bi, Jifu; Zhang, Chunyu; Zhao, Liping; Bai, Chenxi; Hu, Yanming; Zhang, Xuequan","Synthesis of bis(N-arylcarboximidoylchloride)pyridine cobalt(II) complexes and their catalytic behavior for 1,3-butadiene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13723","13732","10.1039/c3dt51403j","","","0.71073","MoKα","","0.0684","0.0567","","","0.1455","0.155","","","","","","1.081","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023495","8.8292","0.0005","9.7126","0.0005","21.0607","0.0012","82.752","0.001","87.625","0.001","65.734","0.001","1633.22","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37 Cl4 Co N3 -","- C31 H37 Cl4 Co N3 -","- C62 H74 Cl8 Co2 N6 -","2","1","","Liu, Heng; Jia, Xiangyu; Wang, Feng; Dai, Quanquan; Wang, Baolin; Bi, Jifu; Zhang, Chunyu; Zhao, Liping; Bai, Chenxi; Hu, Yanming; Zhang, Xuequan","Synthesis of bis(N-arylcarboximidoylchloride)pyridine cobalt(II) complexes and their catalytic behavior for 1,3-butadiene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13723","13732","10.1039/c3dt51403j","","","0.71073","MoKα","","0.0503","0.0369","","","0.0931","0.1011","","","","","","1.034","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023496","8.998","0.004","13.785","0.006","16.476","0.007","90","","90","","90","","2043.6","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H13 Cl4 Co N3 -","- C19 H13 Cl4 Co N3 -","- C76 H52 Cl16 Co4 N12 -","4","1","","Liu, Heng; Jia, Xiangyu; Wang, Feng; Dai, Quanquan; Wang, Baolin; Bi, Jifu; Zhang, Chunyu; Zhao, Liping; Bai, Chenxi; Hu, Yanming; Zhang, Xuequan","Synthesis of bis(N-arylcarboximidoylchloride)pyridine cobalt(II) complexes and their catalytic behavior for 1,3-butadiene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13723","13732","10.1039/c3dt51403j","","","0.71073","MoKα","","0.0501","0.0371","","","0.0788","0.0838","","","","","","0.999","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023497","12.9379","0.0007","15.0989","0.0008","14.3818","0.0007","90","","108.177","0.001","90","","2669.3","0.2","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 Cl6 Co N3 -","- C24 H23 Cl6 Co N3 -","- C96 H92 Cl24 Co4 N12 -","4","1","","Liu, Heng; Jia, Xiangyu; Wang, Feng; Dai, Quanquan; Wang, Baolin; Bi, Jifu; Zhang, Chunyu; Zhao, Liping; Bai, Chenxi; Hu, Yanming; Zhang, Xuequan","Synthesis of bis(N-arylcarboximidoylchloride)pyridine cobalt(II) complexes and their catalytic behavior for 1,3-butadiene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13723","13732","10.1039/c3dt51403j","","","0.71073","MoKα","","0.0371","0.0317","","","0.0768","0.0798","","","","","","1.024","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023498","8.1076","0.0007","22.716","0.0018","16.3196","0.0013","90","","101.821","0.001","90","","2941.9","0.4","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cl8 Co N3 -","- C24 H21 Cl8 Co N3 -","- C96 H84 Cl32 Co4 N12 -","4","1","","Liu, Heng; Jia, Xiangyu; Wang, Feng; Dai, Quanquan; Wang, Baolin; Bi, Jifu; Zhang, Chunyu; Zhao, Liping; Bai, Chenxi; Hu, Yanming; Zhang, Xuequan","Synthesis of bis(N-arylcarboximidoylchloride)pyridine cobalt(II) complexes and their catalytic behavior for 1,3-butadiene polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13723","13732","10.1039/c3dt51403j","","","0.71073","MoKα","","0.0926","0.0514","","","0.0955","0.109","","","","","","0.974","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023499","8.706","0.002","10.471","0.001","10.653","0.001","88.99","0.01","75.51","0.01","70","0.01","881.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 N8 Pt2 S8 -","- C26 H32 N8 Pt2 S8 -","- C26 H32 N8 Pt2 S8 -","1","0.5","","Espa, Davide; Pilia, Luca; Marchiò, Luciano; Mercuri, Maria Laura; Serpe, Angela; Sessini, Elisa; Deplano, Paola","Near-infrared pigments based on ion-pair charge transfer salts of dicationic and dianionic metal-dithiolene [M(II) = Pd, Pt] complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12429","12439","10.1039/c3dt51407b","","","0.71073","MoKα","","0.0232","0.0176","","","0.0463","0.0498","","","","","","1.002","","","","has coordinates","179939","2020-10-21","18:00:00",""
"7023500","9.819","0.002","11.045","0.003","13.189","0.003","111.32","0.02","97.198","0.019","101.63","0.02","1273.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H78 Bi2 N4 O4 Si4 -","- C40 H78 Bi2 N4 O4 Si4 -","- C40 H78 Bi2 N4 O4 Si4 -","1","0.5","","Li, Yan; Wang, Jinjin; Wu, Yile; Zhu, Hongping; Samuel, Prinson P.; Roesky, Herbert W.","Synthesis of metallasiloxanes of group 13-15 and their application in catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13715","13722","10.1039/c3dt51408k","","","0.71073","MoKα","","0.1278","0.08","","","0.1335","0.1537","","","","","","0.956","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023501","9.7585","0.0007","14.3218","0.0009","14.4294","0.0009","82.922","0.005","86.529","0.005","86.857","0.005","1995.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H118 N4 O8 Sb2 Si8 -","- C64 H118 N4 O8 Sb2 Si8 -","- C64 H118 N4 O8 Sb2 Si8 -","1","0.5","","Li, Yan; Wang, Jinjin; Wu, Yile; Zhu, Hongping; Samuel, Prinson P.; Roesky, Herbert W.","Synthesis of metallasiloxanes of group 13-15 and their application in catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13715","13722","10.1039/c3dt51408k","","","0.71073","MoKα","","0.0597","0.043","","","0.0696","0.076","","","","","","1.009","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023502","24.8315","0.0003","24.8315","0.0003","16.6832","0.0003","90","","90","","120","","8908.7","0.2","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C48 H89 Ge2 N3 O6 Si6 -","- C48 H87 Ge2 N3 O6 Si6 -","- C288 H522 Ge12 N18 O36 Si36 -","6","1","","Li, Yan; Wang, Jinjin; Wu, Yile; Zhu, Hongping; Samuel, Prinson P.; Roesky, Herbert W.","Synthesis of metallasiloxanes of group 13-15 and their application in catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13715","13722","10.1039/c3dt51408k","","","0.71073","MoKα","","0.0935","0.0705","","","0.1702","0.1816","","","","","","1.215","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023503","10.273","0.002","11.09","0.002","12.605","0.003","97.36","0.03","97.64","0.03","114.32","0.03","1270.1","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H80 Al2 N2 O6 Si4 -","- C42 H80 Al2 N2 O6 Si4 -","- C42 H80 Al2 N2 O6 Si4 -","1","0.5","","Li, Yan; Wang, Jinjin; Wu, Yile; Zhu, Hongping; Samuel, Prinson P.; Roesky, Herbert W.","Synthesis of metallasiloxanes of group 13-15 and their application in catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13715","13722","10.1039/c3dt51408k","","","0.71073","MoKα","","0.1312","0.0725","","","0.1384","0.1565","","","","","","1.012","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023504","15.5155","0.0005","21.6905","0.0006","27.112","0.0007","90","","92.249","0.003","90","","9117.2","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H119 Bi4 N4 O12 Si8 -","- C70 H119 Bi4 N4 O12 Si8 -","- C280 H476 Bi16 N16 O48 Si32 -","4","1","","Li, Yan; Wang, Jinjin; Wu, Yile; Zhu, Hongping; Samuel, Prinson P.; Roesky, Herbert W.","Synthesis of metallasiloxanes of group 13-15 and their application in catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13715","13722","10.1039/c3dt51408k","","","0.71073","MoKα","","0.1181","0.0664","","","0.0958","0.1092","","","","","","1.014","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023505","18.6059","0.0005","18.7005","0.0005","35.0951","0.0011","90","","90","","90","","12211","0.6","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H176 Al6 N4 O18.75 Si8 -","- C93 H176 Al6 N4 O18.75 Si8 -","- C372 H704 Al24 N16 O75 Si32 -","4","1","","Li, Yan; Wang, Jinjin; Wu, Yile; Zhu, Hongping; Samuel, Prinson P.; Roesky, Herbert W.","Synthesis of metallasiloxanes of group 13-15 and their application in catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13715","13722","10.1039/c3dt51408k","","","0.71073","MoKα","","0.1126","0.0793","","","0.186","0.2045","","","","","","1.045","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023506","17.743","0.0013","16.0855","0.0012","20.9134","0.0016","90","","105.193","0.003","90","","5760.2","0.8","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H60 Br4 Cu F6 N4 P -","- C60 H60 Br4 Cu F6 N4 P -","- C240 H240 Br16 Cu4 F24 N16 P4 -","4","1","","Bozic-Weber, Biljana; Brauchli, Sven Y.; Constable, Edwin C.; Fürer, Sebastian O; Housecroft, Catherine E.; Malzner, Frederik J.; Wright, Iain A.; Zampese, Jennifer A.","Improving the photoresponse of copper(I) dyes in dye-sensitized solar cells by tuning ancillary and anchoring ligand modules.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12293","12308","10.1039/c3dt51416a","","","1.54178","CuKα","","0.0406","0.0372","","","0.0958","0.0985","","","","","","1.037","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023507","11.7229","0.0006","14.2639","0.0008","15.9549","0.0008","93.364","0.003","100.301","0.003","91.589","0.003","2618.4","0.2","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C105 H90 Br8 Cu2 F12 N8 O3 P2 -","- C105 H90 Br8 Cu2 F12 N8 O3 P2 -","- C105 H90 Br8 Cu2 F12 N8 O3 P2 -","1","0.5","","Bozic-Weber, Biljana; Brauchli, Sven Y.; Constable, Edwin C.; Fürer, Sebastian O; Housecroft, Catherine E.; Malzner, Frederik J.; Wright, Iain A.; Zampese, Jennifer A.","Improving the photoresponse of copper(I) dyes in dye-sensitized solar cells by tuning ancillary and anchoring ligand modules.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12293","12308","10.1039/c3dt51416a","","","1.54178","CuKα","","0.0703","0.0575","","","0.1655","0.1785","","","","","","1.038","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023508","15.5265","0.0007","23.9138","0.0009","17.7749","0.0007","90","","114.893","0.002","90","","5986.6","0.4","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C124 H130 Br8 Cu2 F12 N8 O P2 -","- C124 H130 Br8 Cu2 F12 N8 O P2 -","- C248 H260 Br16 Cu4 F24 N16 O2 P4 -","2","0.5","","Bozic-Weber, Biljana; Brauchli, Sven Y.; Constable, Edwin C.; Fürer, Sebastian O; Housecroft, Catherine E.; Malzner, Frederik J.; Wright, Iain A.; Zampese, Jennifer A.","Improving the photoresponse of copper(I) dyes in dye-sensitized solar cells by tuning ancillary and anchoring ligand modules.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12293","12308","10.1039/c3dt51416a","","","1.54178","CuKα","","0.0581","0.0467","","","0.1168","0.1244","","","","","","1.037","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023509","7.781","0.0007","7.9273","0.0007","14.5543","0.0013","75.197","0.003","88.156","0.003","64.398","0.003","779.57","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 N2 O6 P2 -","- C32 H38 N2 O6 P2 -","- C32 H38 N2 O6 P2 -","1","0.5","","Bozic-Weber, Biljana; Brauchli, Sven Y.; Constable, Edwin C.; Fürer, Sebastian O; Housecroft, Catherine E.; Malzner, Frederik J.; Wright, Iain A.; Zampese, Jennifer A.","Improving the photoresponse of copper(I) dyes in dye-sensitized solar cells by tuning ancillary and anchoring ligand modules.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12293","12308","10.1039/c3dt51416a","","","1.54178","CuKα","","0.0395","0.0391","","","0.1074","0.1078","","","","","","1.058","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023510","7.556","0.0015","28.392","0.007","27.854","0.006","90","","90","","90","","5976","2","123","2","123","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C69 H46 Br4 Cl2 Cu F6 N4 P -","- C69 H46 Br4 Cl2 Cu F6 N4 P -","- C276 H184 Br16 Cl8 Cu4 F24 N16 P4 -","4","0.5","","Bozic-Weber, Biljana; Brauchli, Sven Y.; Constable, Edwin C.; Fürer, Sebastian O; Housecroft, Catherine E.; Malzner, Frederik J.; Wright, Iain A.; Zampese, Jennifer A.","Improving the photoresponse of copper(I) dyes in dye-sensitized solar cells by tuning ancillary and anchoring ligand modules.","Dalton transactions (Cambridge, England : 2003)","2013","42","34","12293","12308","10.1039/c3dt51416a","","","1.54178","CuKα","","0.2739","0.0825","","","0.128","0.1881","","","","","","0.933","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023511","9.9279","0.0003","9.9281","0.0003","10.6034","0.0003","85.8443","0.0014","61.462","0.0012","87.2191","0.0014","915.61","0.05","213","","213","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C52 H40 N4 -","2","1","","Tohnai, Norimitsu; Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji","A facile and versatile approach to efficient enhancement of solid-state luminescence by organic-inorganic hybrid salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15922","15926","10.1039/c3dt51422f","","","1.54187","CuKα","","","0.0698","","","","0.24","","","","","","1.091","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023512","5.71305","0.00018","9.0278","0.0004","26.9086","0.0011","90","","90.161","0.0019","90","","1387.84","0.09","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl N O -","- C15 H16 Cl N O -","- C60 H64 Cl4 N4 O4 -","4","1","","Tohnai, Norimitsu; Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji","A facile and versatile approach to efficient enhancement of solid-state luminescence by organic-inorganic hybrid salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15922","15926","10.1039/c3dt51422f","","","1.54187","CuKα","","","0.1181","","","","0.3949","","","","","","1.079","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023513","5.7607","0.0009","8.8385","0.0008","13.309","0.002","72.933","0.019","84.68","0.03","83.64","0.03","642.52","0.17","213","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O6 S2 -","- C28 H28 N2 O6 S2 -","- C28 H28 N2 O6 S2 -","1","0.5","","Tohnai, Norimitsu; Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji","A facile and versatile approach to efficient enhancement of solid-state luminescence by organic-inorganic hybrid salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15922","15926","10.1039/c3dt51422f","","","0.71075","MoKα","","","0.0742","","","","0.1732","","","","","","1.037","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023514","16.6824","0.0004","9.3186","0.0003","9.3783","0.0003","90","","100.104","0.0014","90","","1435.31","0.07","213","","213","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N O3 S -","- C15 H16 N O3 S -","- C60 H64 N4 O12 S4 -","4","1","","Tohnai, Norimitsu; Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji","A facile and versatile approach to efficient enhancement of solid-state luminescence by organic-inorganic hybrid salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15922","15926","10.1039/c3dt51422f","","","1.54187","CuKα","","","0.123","","","","0.4006","","","","","","1.068","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023515","5.9458","0.0003","8.3297","0.0004","41.4851","0.0019","91.24","0.003","91.045","0.003","96.474","0.003","2040.6","0.17","213","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H44 N2 O8 S4 -","- C42 H44 N2 O8 S4 -","- C84 H88 N4 O16 S8 -","2","1","","Tohnai, Norimitsu; Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji","A facile and versatile approach to efficient enhancement of solid-state luminescence by organic-inorganic hybrid salts.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15922","15926","10.1039/c3dt51422f","","","1.54187","CuKα","","","0.1039","","","","0.3367","","","","","","1.039","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023516","12.138","0.004","24.329","0.005","8.973","0.004","90","","94.82","0.04","90","","2640.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Cl F6 N2 Pd -","- C29 H21 Cl F6 N2 Pd -","- C116 H84 Cl4 F24 N8 Pd4 -","4","1","","Amoroso, Francesco; Zangrando, Ennio; Carfagna, Carla; Müller, Christian; Vogt, Dieter; Hagar, Mohamed; Ragaini, Fabio; Milani, Barbara","Catalyst activity or stability: the dilemma in Pd-catalyzed polyketone synthesis.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14583","14602","10.1039/c3dt51425k","","","0.71073","MoKα","","0.1821","0.0647","","","0.1449","0.1895","","","","","","0.916","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023517","14.707","0.004","14.627","0.003","12.192","0.003","90","","103.82","0.03","90","","2546.8","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cl F2 N2 O3 Pd -","- C28 H23 Cl F2 N2 O3 Pd -","- C112 H92 Cl4 F8 N8 O12 Pd4 -","4","1","","Amoroso, Francesco; Zangrando, Ennio; Carfagna, Carla; Müller, Christian; Vogt, Dieter; Hagar, Mohamed; Ragaini, Fabio; Milani, Barbara","Catalyst activity or stability: the dilemma in Pd-catalyzed polyketone synthesis.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14583","14602","10.1039/c3dt51425k","","","0.71073","MoKα","","0.129","0.0463","","","0.0928","0.1082","","","","","","0.901","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023518","8.7833","0.0007","11.6993","0.0009","20.9805","0.0017","85.171","0.003","81.964","0.003","81.352","0.003","2106.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H22 Cl10 N6 O2 P6 -","- C31 H22 Cl10 N6 O2 P6 -","- C62 H44 Cl20 N12 O4 P12 -","2","1","","Yenilmez Çiftçi, Gönül; Senkuytu, Elif; Durmuş, Mahmut; Yuksel, Fatma; Kılıç, Adem","Fluorenylidene bridged cyclotriphosphazenes: 'turn-off' fluorescence probe for Cu(2+) and Fe(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14916","14926","10.1039/c3dt51426a","","","0.71073","MoKα","","0.0307","0.0266","","","0.0666","0.0694","","","","","","1.017","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023519","37.799","0.004","8.8149","0.001","16.79","0.002","90","","102.524","0.006","90","","5461.2","1.1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H50 Cl10 N8 O4 P6 -","- C41 H50 Cl10 N8 O4 P6 -","- C164 H200 Cl40 N32 O16 P24 -","4","0.5","","Yenilmez Çiftçi, Gönül; Senkuytu, Elif; Durmuş, Mahmut; Yuksel, Fatma; Kılıç, Adem","Fluorenylidene bridged cyclotriphosphazenes: 'turn-off' fluorescence probe for Cu(2+) and Fe(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14916","14926","10.1039/c3dt51426a","","","0.71073","MoKα","","0.0424","0.0324","","","0.0761","0.0831","","","","","","1.047","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023520","18.5437","0.0009","14.2005","0.0007","23.3838","0.0011","90","","103.14","0.003","90","","5996.4","0.5","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H36 Cl8 N10 P6 -","- C50 H36 Cl8 N10 P6 -","- C200 H144 Cl32 N40 P24 -","4","1","","Yenilmez Çiftçi, Gönül; Senkuytu, Elif; Durmuş, Mahmut; Yuksel, Fatma; Kılıç, Adem","Fluorenylidene bridged cyclotriphosphazenes: 'turn-off' fluorescence probe for Cu(2+) and Fe(3+) ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14916","14926","10.1039/c3dt51426a","","","0.71073","MoKα","","0.0862","0.0469","","","0.0973","0.1072","","","","","","1.013","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023521","11.922","0.005","16.34","0.005","19.005","0.005","110.093","0.005","91.639","0.005","90.033","0.005","3475","2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C57 H66 Cl7 Gd N12 O13 P2 S2 Zn2 -","- C57 H66 Cl7 Gd N12 O13 P2 S2 Zn2 -","- C114 H132 Cl14 Gd2 N24 O26 P4 S4 Zn4 -","2","1","","Chandrasekhar, Vadapalli; Bag, Prasenjit; Murugesapandian, Balasubramanian; Pandey, Mrituanjay D.","A phosphorus-based compartmental ligand, (S)P[N(Me)N[double bond, length as m-dash]CH-C6H3-2-O-3-OMe]3 (LH3), enables the assembly of luminescent heterobimetallic linear {L2Zn2Ln}(+) [Ln = Gd, Tb, Nd and Eu] complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15447","15456","10.1039/c3dt51431e","","","0.71069","MoKα","","0.1014","0.0598","","","0.132","0.1661","","","","","","1.051","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023522","11.914","0.005","16.32","0.005","18.988","0.005","109.819","0.005","91.748","0.005","90.064","0.005","3471","2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C57 H66 Cl7 N12 O13 P2 S2 Tb Zn2 -","- C57 H66 Cl7 N12 O13 P2 S2 Tb Zn2 -","- C114 H132 Cl14 N24 O26 P4 S4 Tb2 Zn4 -","2","1","","Chandrasekhar, Vadapalli; Bag, Prasenjit; Murugesapandian, Balasubramanian; Pandey, Mrituanjay D.","A phosphorus-based compartmental ligand, (S)P[N(Me)N[double bond, length as m-dash]CH-C6H3-2-O-3-OMe]3 (LH3), enables the assembly of luminescent heterobimetallic linear {L2Zn2Ln}(+) [Ln = Gd, Tb, Nd and Eu] complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15447","15456","10.1039/c3dt51431e","","","0.71069","MoKα","","0.0627","0.0462","","","0.1059","0.1349","","","","","","1.092","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023523","11.944","0.005","16.435","0.005","19.025","0.005","69.237","0.005","88.533","0.005","89.435","0.005","3491","2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C57 H66 Cl7 N12 Nd O13 P2 S2 Zn2 -","- C57 H66 Cl7 N12 Nd O13 P2 S2 Zn2 -","- C114 H132 Cl14 N24 Nd2 O26 P4 S4 Zn4 -","2","1","","Chandrasekhar, Vadapalli; Bag, Prasenjit; Murugesapandian, Balasubramanian; Pandey, Mrituanjay D.","A phosphorus-based compartmental ligand, (S)P[N(Me)N[double bond, length as m-dash]CH-C6H3-2-O-3-OMe]3 (LH3), enables the assembly of luminescent heterobimetallic linear {L2Zn2Ln}(+) [Ln = Gd, Tb, Nd and Eu] complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15447","15456","10.1039/c3dt51431e","","","0.71069","MoKα","","0.0859","0.0592","","","0.1498","0.1829","","","","","","1.073","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023524","11.931","0.005","16.354","0.005","19.001","0.005","69.881","0.005","88.344","0.005","89.959","0.005","3480","2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C57 H66 Cl7 Eu N12 O13 P2 S2 Zn2 -","- C57 H66 Cl7 Eu N12 O13 P2 S2 Zn2 -","- C114 H132 Cl14 Eu2 N24 O26 P4 S4 Zn4 -","2","1","","Chandrasekhar, Vadapalli; Bag, Prasenjit; Murugesapandian, Balasubramanian; Pandey, Mrituanjay D.","A phosphorus-based compartmental ligand, (S)P[N(Me)N[double bond, length as m-dash]CH-C6H3-2-O-3-OMe]3 (LH3), enables the assembly of luminescent heterobimetallic linear {L2Zn2Ln}(+) [Ln = Gd, Tb, Nd and Eu] complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15447","15456","10.1039/c3dt51431e","","","0.71069","MoKα","","0.0716","0.0522","","","0.1202","0.1393","","","","","","0.987","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023525","14.9851","0.0007","20.2837","0.0013","20.9517","0.0014","109.4","0.003","98.8437","0.0019","90.3785","0.0011","5924","0.6","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C107.5 H88 Cl5 F28 N3 P10 Pd4 -","- C107.5 H84 Cl5 F28 N3 P10 Pd4 -","- C215 H168 Cl10 F56 N6 P20 Pd8 -","2","1","","Tanase, Tomoaki; Hatada, Satoko; Mochizuki, Ayaka; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki","Flexible, linear, tetranuclear palladium complexes supported by tetraphosphine ligands with electron-withdrawing groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15941","15952","10.1039/c3dt51433a","","","0.71075","MoKα","","","0.094","","","","0.2808","","","","","","1.119","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023526","14.172","0.005","20.276","0.006","23.037","0.007","68.113","0.011","85.828","0.016","72.612","0.012","5856","3","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C95.5 H88 Cl5 F28 N3 P10 Pd4 -","- C95.5 H88 Cl5 F28 N3 P10 Pd4 -","- C191 H176 Cl10 F56 N6 P20 Pd8 -","2","1","","Tanase, Tomoaki; Hatada, Satoko; Mochizuki, Ayaka; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki","Flexible, linear, tetranuclear palladium complexes supported by tetraphosphine ligands with electron-withdrawing groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15941","15952","10.1039/c3dt51433a","","","0.71075","MoKα","","","0.1106","","","","0.3323","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023527","12.688","0.003","15.676","0.004","23.273","0.006","93.852","0.003","93.895","0.0018","110.859","0.003","4294.8","1.9","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C73 H71 Cl6 F20 N3 O P6 Pd2 -","- C73 H69 Cl6.005 F20 N3 O P6 Pd2 -","- C146 H138 Cl12.01 F40 N6 O2 P12 Pd4 -","2","1","","Tanase, Tomoaki; Hatada, Satoko; Mochizuki, Ayaka; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki","Flexible, linear, tetranuclear palladium complexes supported by tetraphosphine ligands with electron-withdrawing groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15941","15952","10.1039/c3dt51433a","","","0.71075","MoKα","","","0.0896","","","","0.2533","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023528","22.575","0.0005","16.5211","0.0004","29.1443","0.0007","90","","91.3229","0.0012","90","","10866.9","0.4","123","2","123","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C99.5 H81 Cl7 F28 N2 P10 Pd2 -","- C99.5 H78 Cl7 F28 N2 P10 Pd2 -","- C398 H312 Cl28 F112 N8 P40 Pd8 -","4","1","","Tanase, Tomoaki; Hatada, Satoko; Mochizuki, Ayaka; Nakamae, Kanako; Kure, Bunsho; Nakajima, Takayuki","Flexible, linear, tetranuclear palladium complexes supported by tetraphosphine ligands with electron-withdrawing groups.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15941","15952","10.1039/c3dt51433a","","","0.71075","MoKα","","","0.0827","","","","0.247","","","","","","1.101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023529","9.7412","0.0005","13.0955","0.0006","15.6922","0.0003","90","","95.092","0.005","90","","1993.89","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 N2 O12 P4 Zn3 -","- C8 H22 N2 O12 P4 Zn3 -","- C32 H88 N8 O48 P16 Zn12 -","4","1","","Wang, Guoming; Li, Jinhua; Zhang, Xiao; Wang, Pei; Pang, BeiBei; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua; Pan, Chunyang","In situ template generation via N-alkylation in the syntheses of open-framework zinc phosphites and phosphate.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13084","13091","10.1039/c3dt51434j","","","0.71073","MoKα","","0.0504","0.0376","","","0.0817","0.0858","","","","","","1.002","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023530","7.9578","0.0006","14.7728","0.0002","9.2582","0.0004","90","","91.755","0.003","90","","1087.87","0.1","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H25 N2 O12 P4 Zn3 -","- C9 H25 N2 O12 P4 Zn3 -","- C18 H50 N4 O24 P8 Zn6 -","2","0.5","","Wang, Guoming; Li, Jinhua; Zhang, Xiao; Wang, Pei; Pang, BeiBei; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua; Pan, Chunyang","In situ template generation via N-alkylation in the syntheses of open-framework zinc phosphites and phosphate.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13084","13091","10.1039/c3dt51434j","","","0.71073","MoKα","","0.0463","0.0428","","","0.0883","0.0893","","","","","","1.276","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023531","16.2387","0.0002","9.3708","0.0007","10.5007","0.0005","90","","93.898","0.003","90","","1594.19","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 N2 O12 P3 Zn2 -","- C7 H15 N2 O12 P3 Zn2 -","- C28 H60 N8 O48 P12 Zn8 -","4","1","","Wang, Guoming; Li, Jinhua; Zhang, Xiao; Wang, Pei; Pang, BeiBei; Wang, Zonghua; Wang, Yingxia; Lin, Jianhua; Pan, Chunyang","In situ template generation via N-alkylation in the syntheses of open-framework zinc phosphites and phosphate.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13084","13091","10.1039/c3dt51434j","","","0.71073","MoKα","","0.0316","0.0275","","","0.0705","0.0723","","","","","","1.056","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023532","4.9127","0.0005","8.462","0.0009","19.276","0.002","90","","90.488","0.003","90","","801.3","0.14","173","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H5 Co O5 P -","- C7 H5 Co O5 P -","- C28 H20 Co4 O20 P4 -","4","0.5","","Pütz, Anna-Maria; Carrella, Luca M.; Rentschler, Eva","A distorted honeycomb motif in divalent transition metal compounds based on 4-phosphonbenzoic acid and exchange coupled Co(ii) and Cu(ii): synthesis, structural description and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16194","16199","10.1039/c3dt51437d","","","0.71069","MoKα","","0.0292","0.026","","","0.0729","0.0742","","","","","","1.16","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023533","5.2031","0.0017","8.122","0.003","19.378","0.003","90","","100.604","0.009","90","","804.9","0.4","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C7 H5 Cu O5 P -","- C7 H5 Cu O5 P -","- C28 H20 Cu4 O20 P4 -","4","0.5","","Pütz, Anna-Maria; Carrella, Luca M.; Rentschler, Eva","A distorted honeycomb motif in divalent transition metal compounds based on 4-phosphonbenzoic acid and exchange coupled Co(ii) and Cu(ii): synthesis, structural description and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16194","16199","10.1039/c3dt51437d","","","0.71073","MoKα","","0.0681","0.0453","","","0.1222","0.1341","","","","","","1.115","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023534","10.8373","0.0003","15.3768","0.0004","15.4028","0.0005","113.222","0.002","90.921","0.001","102.211","0.001","2291.27","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H55 B N5 Rh -","- C54 H55 B N5 Rh -","- C108 H110 B2 N10 Rh2 -","2","1","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.0375","0.0311","","","0.0729","0.0768","","","","","","1.037","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023535","15.4027","0.0011","16.4453","0.0015","33.125","0.003","90","","90","","90","","8390.6","1.2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C48 H43 B N5 O2 Rh -","- C48 H43 B N5 O2 Rh -","- C384 H344 B8 N40 O16 Rh8 -","8","1","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.2041","0.0606","","","0.0824","0.1183","","","","","","0.937","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023536","11.052","0.0005","15.3218","0.0006","15.4565","0.0007","113.899","0.002","90.403","0.002","101.927","0.002","2329.2","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 B N6 O2 Rh -","- C54 H54 B N6 O2 Rh -","- C108 H108 B2 N12 O4 Rh2 -","2","1","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.0766","0.0512","","","0.1163","0.1299","","","","","","1.03","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023537","11.0626","0.0007","15.0649","0.0004","15.924","0.0003","114.27","0.001","99.407","0.001","98.559","0.001","2316.89","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H57 B N5 O Rh -","- C55 H57 B N5 O Rh -","- C110 H114 B2 N10 O2 Rh2 -","2","1","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.0311","0.0271","","","0.0665","0.0695","","","","","","1.07","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023538","17.012","0.004","16.52","0.004","14.645","0.002","90","","90.01","0.01","90","","4115.8","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 B N5 O3 Rh -","- C49 H45 B N5 O3 Rh -","- C196 H180 B4 N20 O12 Rh4 -","4","1","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.0654","0.0377","","","0.0791","0.0906","","","","","","0.998","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023539","11.054","0.0004","15.1556","0.0006","15.202","0.0006","112.774","0.002","102.466","0.002","90.891","0.002","2278.94","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 B N6 Rh -","- C54 H56 B N6 Rh -","- C108 H112 B2 N12 Rh2 -","2","1","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.0535","0.0361","","","0.0815","0.0899","","","","","","1.016","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023540","20.119","0.003","9.3929","0.0013","21.433","0.004","90","","105.532","0.006","90","","3902.4","1.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H43 B N6 O2 -","- C46 H43 B N6 O2 -","- C184 H172 B4 N24 O8 -","4","1","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.2315","0.0661","","","0.1043","0.1571","","","","","","0.948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023541","13.4189","0.0007","13.6633","0.0007","14.7206","0.0008","89.731","0.002","83.712","0.002","85.488","0.002","2674.4","0.2","155","2","155","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H62 B Cl5 Ir N5 -","- C58 H62 B Cl5 Ir N5 -","- C116 H124 B2 Cl10 Ir2 N10 -","2","1","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.0226","0.0191","","","0.0472","0.0499","","","","","","1.068","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023542","13.4167","0.0005","13.6538","0.0005","14.7446","0.0005","89.616","0.002","83.727","0.002","85.346","0.002","2676.02","0.17","155","2","155","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H62 B Cl5 N5 Rh -","- C58 H62 B Cl5 N5 Rh -","- C116 H124 B2 Cl10 N10 Rh2 -","2","1","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.0405","0.0325","","","0.0801","0.0854","","","","","","1.052","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023543","11.3706","0.0005","12.6307","0.0005","17.3968","0.0007","95.456","0.002","101.823","0.002","104.458","0.002","2339.7","0.17","156","2","156","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 B Cl5 N5 Rh -","- C50 H52 B Cl5 N5 Rh -","- C100 H104 B2 Cl10 N10 Rh2 -","2","1","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.0282","0.0247","","","0.0603","0.0627","","","","","","1.028","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023544","12.3833","0.0009","24.7571","0.0017","13.1128","0.0009","90","","92.98","0.002","90","","4014.6","0.5","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H48 B Cl N5 Rh -","- C47 H48 B Cl N5 Rh -","- C188 H192 B4 Cl4 N20 Rh4 -","4","1","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.0353","0.0273","","","0.0686","0.0716","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023545","13.1491","0.0005","13.3892","0.0005","13.8083","0.0005","67.185","0.001","87.363","0.002","88.838","0.002","2238.45","0.15","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H52 B Cl3 Ir N5 -","- C49 H52 B Cl3 Ir N5 -","- C98 H104 B2 Cl6 Ir2 N10 -","2","1","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.0222","0.0204","","","0.0518","0.0524","","","","","","1.058","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023546","15.2978","0.0008","12.1192","0.0007","26.5776","0.0014","90","","96.241","0.002","90","","4898.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C111 H114 B2 Cl4 N10 Rh2 -","- C111 H114 B2 Cl4 N10 Rh2 -","- C222 H228 B4 Cl8 N20 Rh4 -","2","0.5","","Vuong, Khuong Q.; Timerbulatova, Marina G.; Peterson, Matthew B.; Bhadbhade, Mohan; Messerle, Barbara A.","Cationic Rh and Ir complexes containing bidentate imidazolylidene-1,2,3-triazole donor ligands: synthesis and preliminary catalytic studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14298","14308","10.1039/c3dt51440d","","","0.71073","MoKα","","0.0784","0.067","","","0.1898","0.2028","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023547","14.1525","0.0019","17.312","0.002","28.758","0.004","79.331","0.004","86.571","0.004","81.644","0.005","6846.7","1.5","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H64 Au F6 N2 P S2 -","- C41.8333 H61 Au F6 N2 P S2 -","- C251 H366 Au6 F36 N12 P6 S12 -","6","3","","Ogawa, Tomohiro; Sakamoto, Misaki; Honda, Hirotaka; Matsumoto, Takeshi; Kobayashi, Atsushi; Kato, Masako; Chang, Ho-Chol","Self-association and columnar liquid crystalline phase of cationic alkyl-substituted-bipyridine benzenedithiolato gold(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15995","16005","10.1039/c3dt51444g","","","0.71075","MoKα","","","0.0649","","","","0.2081","","","","","","1.077","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023548","21.6846","0.0007","15.5809","0.0005","19.2799","0.0007","90","","96.865","0.002","90","","6467.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H92 Cl2 O8 Os2 -","- C64 H92 Cl2 O8 Os2 -","- C256 H368 Cl8 O32 Os8 -","4","1","","Gracia, Raquel; Patmore, Nathan J.","Structural, spectroscopic and theoretical studies of diosmium(III,III) tetracarboxylates.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13118","13125","10.1039/c3dt51449h","","","0.71073","MoKα","","0.0847","0.0451","","","0.0881","0.1021","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023549","12.762","0.004","7.353","0.002","22.04","0.008","90","","100.319","0.019","90","","2034.8","1.1","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Cl16 Ga4 Hg11 P4 -","- Cl16 Ga4 Hg11 P4 -","- Cl32 Ga8 Hg22 P8 -","2","0.25","","Jiang, Xiao-Ming; Li, Xiao-Guo; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New mercury-contained cationic frameworks stabilized by (GaCl4)(-) unit via weak electrostatic forces in supramolecular compounds (Hg11P4)(GaCl4)4 and (Hg3AsS)(GaCl4).","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15475","15481","10.1039/c3dt51451j","","","0.71073","MoKα","","0.0842","0.0599","","","0.0967","0.1035","","","","","","0.904","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7023550","7.2447","0.0014","7.2447","0.0014","11.96","0.004","90","","90","","120","","543.6","0.2","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- As Cl4 Ga Hg3 S -","- As Cl4 Ga Hg3 S -","- As2 Cl8 Ga2 Hg6 S2 -","2","0.166667","","Jiang, Xiao-Ming; Li, Xiao-Guo; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong","New mercury-contained cationic frameworks stabilized by (GaCl4)(-) unit via weak electrostatic forces in supramolecular compounds (Hg11P4)(GaCl4)4 and (Hg3AsS)(GaCl4).","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15475","15481","10.1039/c3dt51451j","","","0.71073","MoKα","","0.0382","0.0364","","","0.1002","0.1022","","","","","","1.073","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7023551","23.243","0.004","34.859","0.006","22.558","0.004","90","","116.887","0.001","90","","16301","5","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 Cl3 Cr9 F54 O104 P W12 -","- C61 Cl3 Cr9 F54 O104 P W12 -","- C244 Cl12 Cr36 F216 O416 P4 W48 -","4","1","","Uchida, Sayaka; Kawahara, Ryosuke; Ogasawara, Yoshiyuki; Mizuno, Noritaka","Highly selective sorption and unique packing geometries of unsaturated hydrocarbons and CO2 in a fluorine-substituted organic-inorganic ionic crystal.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16209","16215","10.1039/c3dt51458g","","","0.7107","MoKα","","","0.1022","","","","0.3037","","","","","","1.026","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023552","28.0259","0.0019","28.0259","0.0019","10.1867","0.0007","90","","90","","90","","8001.2","0.9","120","2","120","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C92.62 H60.62 Cl1.85 N4 O4 Zn -","- C92.616 H60.616 Cl1.848 N4 O4 Zn -","- C370.464 H242.464 Cl7.392 N16 O16 Zn4 -","4","","","Ishizuka, Tomoya; Sankar, Muniappan; Kojima, Takahiko","Control of the spatial arrangements of supramolecular networks based on saddle-distorted porphyrins by intermolecular hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16073","16079","10.1039/c3dt51467f","","","0.71073","MoKα","","0.1253","0.0931","","","0.2985","0.3126","","","","","","1.081","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023553","25.353","0.005","11.688","0.003","32.746","0.007","90","","112.406","0.003","90","","8971","3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C112 H100 N4 O9 Zn -","- C112 H100 N4 O9 Zn -","- C448 H400 N16 O36 Zn4 -","4","1","","Ishizuka, Tomoya; Sankar, Muniappan; Kojima, Takahiko","Control of the spatial arrangements of supramolecular networks based on saddle-distorted porphyrins by intermolecular hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16073","16079","10.1039/c3dt51467f","","","0.71073","MoKα","","0.1094","0.0731","","","0.1976","0.2164","","","","","","1.065","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023554","21.25","0.008","21.596","0.008","22.033","0.008","83.03","0.005","79.946","0.006","89.807","0.006","9881","6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C210 H160 N10 O12 Zn2 -","- C210 H160 N10 O12 Zn2 -","- C420 H320 N20 O24 Zn4 -","2","1","","Ishizuka, Tomoya; Sankar, Muniappan; Kojima, Takahiko","Control of the spatial arrangements of supramolecular networks based on saddle-distorted porphyrins by intermolecular hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16073","16079","10.1039/c3dt51467f","","","0.71073","MoKα","","0.1168","0.0794","","","0.2014","0.2184","","","","","","0.925","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023555","17.044","0.003","36.306","0.006","25.196","0.005","90","","94.573","0.003","90","","15542","5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C194 H128 N10 Zn2 -","- C194 H128 N10 Zn2 -","- C776 H512 N40 Zn8 -","4","1","","Ishizuka, Tomoya; Sankar, Muniappan; Kojima, Takahiko","Control of the spatial arrangements of supramolecular networks based on saddle-distorted porphyrins by intermolecular hydrogen bonding.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16073","16079","10.1039/c3dt51467f","","","0.71073","MoKα","","0.1223","0.0565","","","0.1167","0.1357","","","","","","0.873","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023556","9.9668","0.0017","11.5475","0.0019","15.479","0.002","82.766","0.002","82.656","0.003","74.84","0.002","1697.4","0.5","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Cl Cu N2 O2 -","- C12 H9 Cl Cu N2 O2 -","- C72 H54 Cl6 Cu6 N12 O12 -","6","3","","Chi, Yan-Hui; Shi, Jing-Min; Li, Hong-Nan; Wei, Wei; Cottrill, Ethan; Pan, Ning; Chen, Hu; Liang, Yuan; Yu, Li; Zhang, Yi-Quan; Hou, Chao","π-π Stacking, spin density and magnetic coupling strength.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15559","15569","10.1039/c3dt51476e","","","0.71073","MoKα","","0.0729","0.0561","","","0.1355","0.1417","","","","","","1.036","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023557","7.7171","0.0019","25.76","0.006","8.772","0.002","90","","111.111","0.003","90","","1626.8","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cu N6 O6 -","- C15 H10 Cu N6 O6 -","- C60 H40 Cu4 N24 O24 -","4","1","","Chi, Yan-Hui; Shi, Jing-Min; Li, Hong-Nan; Wei, Wei; Cottrill, Ethan; Pan, Ning; Chen, Hu; Liang, Yuan; Yu, Li; Zhang, Yi-Quan; Hou, Chao","π-π Stacking, spin density and magnetic coupling strength.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15559","15569","10.1039/c3dt51476e","","","0.71073","MoKα","","0.0762","0.0595","","","0.1569","0.1652","","","","","","1.056","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023558","11.0975","0.0019","14.246","0.002","20.649","0.004","90","","98.795","0.002","90","","3226.1","0.9","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Cl2 Cu N10 O9 -","- C30 H24 Cl2 Cu N10 O9 -","- C120 H96 Cl8 Cu4 N40 O36 -","4","1","","Chi, Yan-Hui; Shi, Jing-Min; Li, Hong-Nan; Wei, Wei; Cottrill, Ethan; Pan, Ning; Chen, Hu; Liang, Yuan; Yu, Li; Zhang, Yi-Quan; Hou, Chao","π-π Stacking, spin density and magnetic coupling strength.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15559","15569","10.1039/c3dt51476e","","","0.71073","MoKα","","0.088","0.0585","","","0.1619","0.1758","","","","","","1.053","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023559","8.113","0.002","8.852","0.002","10.802","0.003","93.092","0.004","98.507","0.004","93.259","0.004","764.5","0.3","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl2 Cu N4 -","- C16 H12 Cl2 Cu N4 -","- C32 H24 Cl4 Cu2 N8 -","2","1","","Chi, Yan-Hui; Shi, Jing-Min; Li, Hong-Nan; Wei, Wei; Cottrill, Ethan; Pan, Ning; Chen, Hu; Liang, Yuan; Yu, Li; Zhang, Yi-Quan; Hou, Chao","π-π Stacking, spin density and magnetic coupling strength.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15559","15569","10.1039/c3dt51476e","","","0.71073","MoKα","","0.0512","0.0402","","","0.0916","0.0949","","","","","","1.014","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023560","8.0958","0.0016","9.0668","0.0018","10.991","0.002","92.376","0.003","96.64","0.003","94.368","0.002","798","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Br2 Cu N4 -","- C16 H12 Br2 Cu N4 -","- C32 H24 Br4 Cu2 N8 -","2","1","","Chi, Yan-Hui; Shi, Jing-Min; Li, Hong-Nan; Wei, Wei; Cottrill, Ethan; Pan, Ning; Chen, Hu; Liang, Yuan; Yu, Li; Zhang, Yi-Quan; Hou, Chao","π-π Stacking, spin density and magnetic coupling strength.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15559","15569","10.1039/c3dt51476e","","","0.71073","MoKα","","0.0484","0.0376","","","0.0931","0.0964","","","","","","1.064","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023561","9.188","0.012","9.476","0.012","12.122","0.015","69.245","0.017","85.18","0.018","73.112","0.015","944","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cu N7 O7 -","- C16 H15 Cu N7 O7 -","- C32 H30 Cu2 N14 O14 -","2","1","","Chi, Yan-Hui; Shi, Jing-Min; Li, Hong-Nan; Wei, Wei; Cottrill, Ethan; Pan, Ning; Chen, Hu; Liang, Yuan; Yu, Li; Zhang, Yi-Quan; Hou, Chao","π-π Stacking, spin density and magnetic coupling strength.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15559","15569","10.1039/c3dt51476e","","","0.71073","MoKα","","0.0666","0.0531","","","0.137","0.1442","","","","","","1.019","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023562","7.7867","0.0016","11.215","0.002","16.845","0.004","90","","92.343","0.003","90","","1469.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cl2 Cu N5 -","- C15 H11 Cl2 Cu N5 -","- C60 H44 Cl8 Cu4 N20 -","4","1","","Chi, Yan-Hui; Shi, Jing-Min; Li, Hong-Nan; Wei, Wei; Cottrill, Ethan; Pan, Ning; Chen, Hu; Liang, Yuan; Yu, Li; Zhang, Yi-Quan; Hou, Chao","π-π Stacking, spin density and magnetic coupling strength.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15559","15569","10.1039/c3dt51476e","","","0.71073","MoKα","","0.0718","0.0531","","","0.1084","0.1149","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023563","17.328","0.006","21.331","0.007","22.382","0.008","90","","98.68","0.006","90","","8178","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H76 Cl2 Fe5 N21 O14 -","- C74 H72 Cl2 Fe5 N21 O14 -","- C296 H288 Cl8 Fe20 N84 O56 -","4","0.5","","Shiga, Takuya; Noguchi, Mao; Sato, Hiroki; Matsumoto, Takuto; Newton, Graham N.; Oshio, Hiroki","Triple-stranded ferric helices: a π-π interaction-driven structural hierarchy of Fe5, Fe7, and Fe17 clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16185","16193","10.1039/c3dt51480c","","","0.71073","MoKα","","0.1083","0.0555","","","0.129","0.1448","","","","","","0.915","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023564","18.69","0.002","26.157","0.003","32.885","0.004","90","","90","","90","","16077","3","100","2","100","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C134.5 H153 B4 F16 Fe7 N42 O28.5 -","- C134.5 H78 B4 F16 Fe7 N42 O28.5 -","- C538 H312 B16 F64 Fe28 N168 O114 -","4","1","","Shiga, Takuya; Noguchi, Mao; Sato, Hiroki; Matsumoto, Takuto; Newton, Graham N.; Oshio, Hiroki","Triple-stranded ferric helices: a π-π interaction-driven structural hierarchy of Fe5, Fe7, and Fe17 clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16185","16193","10.1039/c3dt51480c","","","0.71073","MoKα","","0.0805","0.0658","","","0.1836","0.1934","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023565","28.011","0.0017","28.011","0.0017","25.438","0.003","90","","90","","120","","17285","3","100","2","100","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C205 H145 F36 Fe17 N71 O16 P6 -","- C189 H117 F36 Fe17 N63 O16 P6 -","- C567 H351 F108 Fe51 N189 O48 P18 -","3","0.166667","","Shiga, Takuya; Noguchi, Mao; Sato, Hiroki; Matsumoto, Takuto; Newton, Graham N.; Oshio, Hiroki","Triple-stranded ferric helices: a π-π interaction-driven structural hierarchy of Fe5, Fe7, and Fe17 clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16185","16193","10.1039/c3dt51480c","","","0.71073","MoKα","","0.1054","0.0877","","","0.2034","0.2141","","","","","","0.982","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023566","16.542","0.003","16.918","0.003","32.343","0.006","90","","98.6817","0.0019","90","","8948","3","123.15","","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C110.8 H86 B2 N16 O0.2 Ru -","- C108 H81 B2 N15 Ru -","- C432 H324 B8 N60 Ru4 -","4","1","","Shinomiya, Takuya; Ozawa, Hiroaki; Mutoh, Yuichiro; Haga, Masa-Aki","A redox-active porous coordination network film based on a Ru complex as a building block on an ITO electrode.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16166","16175","10.1039/c3dt51484f","","","0.71075","MoKα","","0.1169","0.0724","","","0.1577","0.1793","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023567","4.8485","0.0012","14.079","0.004","17.186","0.004","90","","90","","90","","1173.2","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 N2 O7 Sr -","- C12 H8 N2 O7 Sr -","- C48 H32 N8 O28 Sr4 -","4","1","","Guo, Beibei; Li, Li; Wang, Yang; Zhu, Yanyan; Li, Gang","Construction of a series of coordination polymers from three imidazole-based multi-carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14268","14280","10.1039/c3dt51486b","","","0.71073","MoKα","","0.0719","0.0688","","","0.173","0.1757","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023568","4.3052","0.0004","19.6847","0.0019","13.8025","0.0013","90","","91.656","0.001","90","","1169.23","0.19","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H6 N2 O6 Sr -","- C12 H6 N2 O6 Sr -","- C48 H24 N8 O24 Sr4 -","4","1","","Guo, Beibei; Li, Li; Wang, Yang; Zhu, Yanyan; Li, Gang","Construction of a series of coordination polymers from three imidazole-based multi-carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14268","14280","10.1039/c3dt51486b","","","0.71073","MoKα","","0.0467","0.0335","","","0.0721","0.0771","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023569","14.9826","0.0015","9.5917","0.001","19.639","0.002","90","","101.406","0.001","90","","2766.6","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cd N2 O8 -","- C12 H10 Cd N2 O8 -","- C96 H80 Cd8 N16 O64 -","8","1","","Guo, Beibei; Li, Li; Wang, Yang; Zhu, Yanyan; Li, Gang","Construction of a series of coordination polymers from three imidazole-based multi-carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14268","14280","10.1039/c3dt51486b","","","0.71073","MoKα","","0.0412","0.03","","","0.0737","0.0791","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023570","8.7286","0.0007","12.3676","0.001","13.4295","0.001","86.121","0.001","86.03","0.001","79.734","0.001","1420.85","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N4 O15 Sr3 -","- C24 H16 N4 O15 Sr3 -","- C48 H32 N8 O30 Sr6 -","2","1","","Guo, Beibei; Li, Li; Wang, Yang; Zhu, Yanyan; Li, Gang","Construction of a series of coordination polymers from three imidazole-based multi-carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14268","14280","10.1039/c3dt51486b","","","0.71073","MoKα","","0.0491","0.0352","","","0.082","0.0858","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023571","14.6401","0.0008","9.7411","0.0005","11.2213","0.0006","90","","90","","90","","1600.28","0.15","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H28 Cd3 N4 O22 -","- C24 H28 Cd3 N4 O22 -","- C48 H56 Cd6 N8 O44 -","2","0.5","","Guo, Beibei; Li, Li; Wang, Yang; Zhu, Yanyan; Li, Gang","Construction of a series of coordination polymers from three imidazole-based multi-carboxylate ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14268","14280","10.1039/c3dt51486b","","","0.71073","MoKα","","0.0272","0.0261","","","0.0692","0.07","","","","","","1.161","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023572","14.44","0.0005","15.7422","0.0006","18.2586","0.0006","74.988","0.003","86.298","0.003","75.568","0.003","3882.3","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","[{{Eu(DMSO)}2(HBr3L')(H3Br2L'')}2({mu-}OH)2 ] 18 DMSO","","","- C106 H142 Br10 Eu4 N24 O28 S16 -","- C106 H142 Br10 Eu4 N24 O28 S16 -","- C106 H142 Br10 Eu4 N24 O28 S16 -","1","0.5","","Abraham, Maria L.; Schulze, A. Carina; Korthaus, Alexander; Oppel, Iris M.","Oxidant-induced intramolecular triazole formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16066","16072","10.1039/c3dt51490k","","","0.71073","MoKα","","0.1031","0.0472","","","0.096","0.1024","","","","","","0.81","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023573","14.5406","0.0005","15.8933","0.0006","18.2622","0.0007","73.997","0.003","85.829","0.003","74.383","0.003","3907","0.3","110","2","110","2","","","","","","","","7","P -1","-P 1","2","[ [{{Gd(DMSO)}2(HBr3L')(H3Br2L'')}2({mu-}OH)2 ]~18 DMSO","","","- C110 H142 Br10 Gd4 N24 O30 S18 -","- C82 H70 Br10 Gd4 N24 O16 S4 -","- C82 H70 Br10 Gd4 N24 O16 S4 -","1","0.5","","Abraham, Maria L.; Schulze, A. Carina; Korthaus, Alexander; Oppel, Iris M.","Oxidant-induced intramolecular triazole formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16066","16072","10.1039/c3dt51490k","","","0.71073","MoKα","","0.1024","0.0442","","","0.0919","0.0961","","","","","","0.805","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023574","11.3937","0.0005","13.1258","0.0005","15.9585","0.0006","107.383","0.003","104.036","0.004","99.477","0.003","2135.92","0.17","113","2","113","2","","","","","","","","7","P -1","-P 1","2","[(PdPh3)H3Br3L]","","","- C40 H30 Br3 N6 O3 P Pd -","- C40 H30 Br3 N6 O3 P Pd -","- C80 H60 Br6 N12 O6 P2 Pd2 -","2","1","","Abraham, Maria L.; Schulze, A. Carina; Korthaus, Alexander; Oppel, Iris M.","Oxidant-induced intramolecular triazole formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16066","16072","10.1039/c3dt51490k","","","0.71073","MoKα","","0.0771","0.0381","","","0.0844","0.0892","","","","","","0.847","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023575","9.6061","0.0019","10.857","0.002","15.489","0.003","101.61","0.03","94.92","0.03","91.08","0.03","1575.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[(PdPEt3)H3Br3L]","(tris(5-Bromo-2-hydroxybenzylidene)triaminoguanidino)- triethylphosphine-palladium(ii)","","- C28 H30 Br3 N6 O3 P Pd -","- C28 H30 Br3 N6 O3 P Pd -","- C56 H60 Br6 N12 O6 P2 Pd2 -","2","1","","Abraham, Maria L.; Schulze, A. Carina; Korthaus, Alexander; Oppel, Iris M.","Oxidant-induced intramolecular triazole formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16066","16072","10.1039/c3dt51490k","","","0.71073","MoKα","","0.1348","0.0716","","","0.1471","0.1703","","","","","","0.952","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023576","25.531","0.006","17.175","0.004","18.17","0.004","90","","123.949","0.003","90","","6609","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(PdPEt3)H3L]","tris(2-hydroxy-benzylidene)triaminoguanidino-triethylphosphine-palladium(ii)'","","- C32 H43 N6 O4 P Pd -","- C32 H43 N6 O4 P Pd -","- C256 H344 N48 O32 P8 Pd8 -","8","1","","Abraham, Maria L.; Schulze, A. Carina; Korthaus, Alexander; Oppel, Iris M.","Oxidant-induced intramolecular triazole formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16066","16072","10.1039/c3dt51490k","","","0.71073","MoKα","","0.058","0.0428","","","0.1253","0.1323","","","","","","1.281","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023577","11.294","0.0008","20.8512","0.0014","14.0096","0.001","90","","111.957","0.001","90","","3059.9","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Pd(PEt3)H2Br3L']","(2,4-Dihydro-5-(5-bromo-2-hydroxyphenyl)-4-((5-bromo-2-hydroxyphenyl) methyleneamino)-1,2,4-triazol-3-ylidene 5-bromo-2-oxybenzaldehyde hydrazono)-(triethylphosphine)-palladium(ii)","","- C28 H28 Br3 N6 O3 P Pd -","- C28 H28 Br3 N6 O3 P Pd -","- C112 H112 Br12 N24 O12 P4 Pd4 -","4","2","","Abraham, Maria L.; Schulze, A. Carina; Korthaus, Alexander; Oppel, Iris M.","Oxidant-induced intramolecular triazole formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16066","16072","10.1039/c3dt51490k","","","0.71073","MoKα","","0.0672","0.0576","","","0.1383","0.1448","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023578","10.2404","0.0019","10.596","0.002","13.021","0.002","90.997","0.003","99.318","0.003","102.809","0.003","1357.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[(PdPEt3)H2L]","2,4-Dihydro-5-(2-hydroxyphenyl)-4-((2-hydroxyphenyl)methyleneamino) -1,2,4-triazol-3-ylidene 2-oxybenzaldehyde hydrazono)-(triethylphosphine) -palladium(ii)","","- C28 H31 N6 O3 P Pd -","- C28 H31 N6 O3 P Pd -","- C56 H62 N12 O6 P2 Pd2 -","2","1","","Abraham, Maria L.; Schulze, A. Carina; Korthaus, Alexander; Oppel, Iris M.","Oxidant-induced intramolecular triazole formation.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16066","16072","10.1039/c3dt51490k","","","0.71073","MoKα","","0.0488","0.0389","","","0.0878","0.0916","","","","","","1.033","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7023579","8.5662","0.0017","14.881","0.003","11.645","0.002","90","","102.53","0.03","90","","1449.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 O6 P2 S2 -","- C32 H20 O6 P2 S2 -","- C64 H40 O12 P4 S4 -","2","0.5","","Freeman, Jason L.; Zhao, Qun; Zhang, Yuanli; Wang, Jianwei; Lawson, Christopher M.; Gray, Gary M.","Synthesis, linear and nonlinear optical properties of phosphonato-substituted bithiophenes derived from 2,2'-biphenol.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14281","14297","10.1039/c3dt51499d","","","0.71073","MoKα","","0.082","0.0641","","","0.17","0.1835","","","","","","1.044","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023580","7.1023","0.0014","12.956","0.003","15.763","0.003","90","","95.46","0.03","90","","1443.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 O4 P2 S2 Se2 -","- C32 H20 O4 P2 S2 Se2 -","- C64 H40 O8 P4 S4 Se4 -","2","0.5","","Freeman, Jason L.; Zhao, Qun; Zhang, Yuanli; Wang, Jianwei; Lawson, Christopher M.; Gray, Gary M.","Synthesis, linear and nonlinear optical properties of phosphonato-substituted bithiophenes derived from 2,2'-biphenol.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14281","14297","10.1039/c3dt51499d","","","0.71073","MoKα","","0.1298","0.0629","","","0.1583","0.1846","","","","","","1.022","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023581","11.1089","0.001","9.483","0.0008","7.6116","0.0007","90","","112.026","0.003","90","","743.33","0.12","210","2","210","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C10 H18 Al2 N2 O12 -","- C10 H18 Al2 N2 O12 -","- C20 H36 Al4 N4 O24 -","2","0.5","","Fairley, Melissa; Unruh, Daniel K.; Donovan, Amy; Abeysinghe, Samangi; Forbes, Tori Z.","Synthesis and characterization of homo- and heteronuclear molecular Al3+ and Th4+ species chelated by the ethylenediaminetetraacetate (edta) ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13706","13714","10.1039/c3dt51517f","","","0.71073","MoKα","","0.0274","0.0261","","","0.0681","0.0692","","","","","","1.103","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023582","8.5283","0.0005","12.0641","0.0007","15.8846","0.0009","90","","105.335","0.002","90","","1576.12","0.16","181","2","181","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","tetraaquahexakisethylenediaminethorium(IV)","","- C10 H20 N2 O12 Th -","- C10 H20 N2 O12 Th -","- C40 H80 N8 O48 Th4 -","4","1","","Fairley, Melissa; Unruh, Daniel K.; Donovan, Amy; Abeysinghe, Samangi; Forbes, Tori Z.","Synthesis and characterization of homo- and heteronuclear molecular Al3+ and Th4+ species chelated by the ethylenediaminetetraacetate (edta) ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13706","13714","10.1039/c3dt51517f","","","0.71073","MoKα","","0.0134","0.0123","","","0.0335","0.034","","","","","","1.04","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023583","10.9899","0.0012","11.6107","0.0012","14.335","0.0017","73.012","0.004","87.411","0.004","75.717","0.004","1694.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Al6 N8 O67 Th2 -","- C20 H88 Al6 N8 O67 Th2 -","- C20 H88 Al6 N8 O67 Th2 -","1","0.5","","Fairley, Melissa; Unruh, Daniel K.; Donovan, Amy; Abeysinghe, Samangi; Forbes, Tori Z.","Synthesis and characterization of homo- and heteronuclear molecular Al3+ and Th4+ species chelated by the ethylenediaminetetraacetate (edta) ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13706","13714","10.1039/c3dt51517f","","","0.71073","MoKα","","0.0519","0.0369","","","0.0889","0.0958","","","","","","1.08","","","","has coordinates","189309","2020-10-21","18:00:00",""
"7023584","9.3172","0.0008","16.6099","0.0014","19.508","0.0014","102.314","0.003","95.615","0.003","92.473","0.003","2929","0.4","483","2","483","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Al10 N8 O103.5 Th4 -","- C40 H163 Al10 N8 O103.5 Th4 -","- C40 H163 Al10 N8 O103.5 Th4 -","1","0.5","","Fairley, Melissa; Unruh, Daniel K.; Donovan, Amy; Abeysinghe, Samangi; Forbes, Tori Z.","Synthesis and characterization of homo- and heteronuclear molecular Al3+ and Th4+ species chelated by the ethylenediaminetetraacetate (edta) ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13706","13714","10.1039/c3dt51517f","","x-ray","0.71073","MoKα","","0.052","0.0381","","","0.0992","0.1062","","","","","","1.079","","","","has coordinates,has disorder","189309","2020-10-21","18:00:00",""
"7023585","6.936","0.001","11.115","0.001","21.39","0.002","81.725","0.003","87.872","0.003","75.093","0.003","1576.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H84 Cu2 N4 O12 -","- C62 H80 Cu2 N4 O12 -","- C62 H80 Cu2 N4 O12 -","1","0.5","","Clegg, Jack K.; Li, Feng; Jolliffe, Katrina A.; Lindoy, Leonard F.; Meehan, George V.; Parsons, Simon; Tasker, Peter A.; White, Fraser J.","Hierarchical assembly of discrete copper(II) metallo-structures from pre-assembled dinuclear (bis-β-diketonato)metallocycles and flexible difunctional co-ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14315","14323","10.1039/c3dt51531a","","","0.71073","MoKα","","0.0884","0.0691","","","0.1593","0.1696","","","","","","1.197","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023586","7.941","0.001","10.158","0.002","21.762","0.003","99.09","0.007","98.182","0.007","105.622","0.005","1637.5","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H88 Cu2 O14 -","- C68 H88 Cu2 O14 -","- C68 H88 Cu2 O14 -","1","0.5","","Clegg, Jack K.; Li, Feng; Jolliffe, Katrina A.; Lindoy, Leonard F.; Meehan, George V.; Parsons, Simon; Tasker, Peter A.; White, Fraser J.","Hierarchical assembly of discrete copper(II) metallo-structures from pre-assembled dinuclear (bis-β-diketonato)metallocycles and flexible difunctional co-ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14315","14323","10.1039/c3dt51531a","","","0.71073","MoKα","","0.0804","0.0518","","","0.1232","0.1389","","","","","","1.071","","","","has coordinates,has disorder","288260","2023-12-12","16:08:19",""
"7023587","11.3608","0.0009","14.4945","0.0011","17.5171","0.0013","78.648","0.001","80.525","0.001","79.962","0.001","2759.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H166 Cu4 N10 O16 -","- C110 H166 Cu4 N10 O16 -","- C110 H166 Cu4 N10 O16 -","1","0.5","","Clegg, Jack K.; Li, Feng; Jolliffe, Katrina A.; Lindoy, Leonard F.; Meehan, George V.; Parsons, Simon; Tasker, Peter A.; White, Fraser J.","Hierarchical assembly of discrete copper(II) metallo-structures from pre-assembled dinuclear (bis-β-diketonato)metallocycles and flexible difunctional co-ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14315","14323","10.1039/c3dt51531a","","","0.71073","MoKα","","0.0462","0.0333","","","0.0855","0.0925","","","","","","1.011","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023588","10.9829","0.0014","16.4829","0.0016","16.6407","0.0016","103.377","0.007","96.601","0.008","94.052","0.007","2896.5","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H159 Cu4 N7 O16 S7 -","- C108 H159 Cu4 N7 O16 S7 -","- C108 H159 Cu4 N7 O16 S7 -","1","0.5","","Clegg, Jack K.; Li, Feng; Jolliffe, Katrina A.; Lindoy, Leonard F.; Meehan, George V.; Parsons, Simon; Tasker, Peter A.; White, Fraser J.","Hierarchical assembly of discrete copper(II) metallo-structures from pre-assembled dinuclear (bis-β-diketonato)metallocycles and flexible difunctional co-ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14315","14323","10.1039/c3dt51531a","","","0.71073","MoKα","","0.0914","0.0524","","","0.1154","0.1344","","","","","","1.029","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023589","11.2682","0.0007","14.7975","0.0011","16.809","0.0012","96.891","0.005","90.581","0.004","110.732","0.004","2598.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H152 Cu4 N8 O16 -","- C92 H124 Cu4 N4 O16 -","- C92 H124 Cu4 N4 O16 -","1","0.5","","Clegg, Jack K.; Li, Feng; Jolliffe, Katrina A.; Lindoy, Leonard F.; Meehan, George V.; Parsons, Simon; Tasker, Peter A.; White, Fraser J.","Hierarchical assembly of discrete copper(II) metallo-structures from pre-assembled dinuclear (bis-β-diketonato)metallocycles and flexible difunctional co-ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14315","14323","10.1039/c3dt51531a","","","0.71073","MoKα","","0.153","0.0854","","","0.2488","0.2741","","","","","","1.08","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023590","10.3419","0.0007","10.8858","0.0007","16.9362","0.0011","93.828","0.004","103.808","0.003","118.268","0.003","1594.32","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H96 Cu2 N8 O8 -","- C60 H96 Cu2 N8 O8 -","- C60 H96 Cu2 N8 O8 -","1","0.5","","Clegg, Jack K.; Li, Feng; Jolliffe, Katrina A.; Lindoy, Leonard F.; Meehan, George V.; Parsons, Simon; Tasker, Peter A.; White, Fraser J.","Hierarchical assembly of discrete copper(II) metallo-structures from pre-assembled dinuclear (bis-β-diketonato)metallocycles and flexible difunctional co-ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14315","14323","10.1039/c3dt51531a","","","0.71073","MoKα","","0.091","0.0563","","","0.1507","0.173","","","","","","1.038","","","","has coordinates,has disorder","179940","2020-10-21","18:00:00",""
"7023591","11.795","0.002","14.191","0.003","15.317","0.004","91.144","0.014","107.536","0.013","90.403","0.011","2443.9","0.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H51 B N4 O3 -","- C60 H51 B N4 O3 -","- C120 H102 B2 N8 O6 -","2","1","","Kalita, Hemanta; Lee, Way-Zen; Ravikanth, Mangalampalli","Synthesis, structure, spectral and electrochemical properties of B(OR)2-smaragdyrin complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14537","14544","10.1039/c3dt51539g","","","0.71073","MoKα","","0.2545","0.0865","","","0.162","0.2373","","","","","","0.937","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023592","13.373","0.005","14.457","0.005","14.548","0.006","61.97","0.012","71.04","0.014","82","0.012","2347.7","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H48 Cl3 N4 O21 Yb -","- C39 H48 Cl3 N4 O21 Yb -","- C78 H96 Cl6 N8 O42 Yb2 -","2","1","","Zou, Xiaoyan; Yan, Pengfei; Zhang, Juwen; Zhang, Fengming; Hou, Guangfeng; Li, Guangming","NIR luminescence and catalysis of multifarious salen type ytterbium complexes modulated by anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13190","13199","10.1039/c3dt51556g","","","0.71073","MoKα","","0.0819","0.06","","","0.1532","0.167","","","","","","1.036","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023593","12.472","0.004","17.08","0.004","28.223","0.007","101.1","0.008","91.45","0.011","109.73","0.009","5527","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H100 Cl4 F24 N10 O26 P4 Yb2 -","- C78 H91 Cl4 F24 N10 O26 P4 Yb2 -","- C156 H182 Cl8 F48 N20 O52 P8 Yb4 -","2","1","","Zou, Xiaoyan; Yan, Pengfei; Zhang, Juwen; Zhang, Fengming; Hou, Guangfeng; Li, Guangming","NIR luminescence and catalysis of multifarious salen type ytterbium complexes modulated by anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13190","13199","10.1039/c3dt51556g","","","0.71073","MoKα","","0.1221","0.0836","","","0.2433","0.2809","","","","","","1.031","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023594","12.111","0.004","14.824","0.005","15.133","0.006","90","","98.985","0.014","90","","2683.5","1.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H46 Cl2 N10 O26 Yb2 -","- C39 H44 Cl2 N10 O26 Yb2 -","- C78 H88 Cl4 N20 O52 Yb4 -","2","0.5","","Zou, Xiaoyan; Yan, Pengfei; Zhang, Juwen; Zhang, Fengming; Hou, Guangfeng; Li, Guangming","NIR luminescence and catalysis of multifarious salen type ytterbium complexes modulated by anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13190","13199","10.1039/c3dt51556g","","","0.71073","MoKα","","0.0598","0.0404","","","0.0853","0.0924","","","","","","1.077","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023595","11.7569","0.0009","26.2104","0.0016","15.0002","0.0008","90","","127.101","0.004","90","","3686.7","0.5","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 Cl8 F12 N4 O16 P2 Yb2 -","- C50 H64 Cl8 F12 N4 O16 P2 Yb2 -","- C100 H128 Cl16 F24 N8 O32 P4 Yb4 -","2","0.5","","Zou, Xiaoyan; Yan, Pengfei; Zhang, Juwen; Zhang, Fengming; Hou, Guangfeng; Li, Guangming","NIR luminescence and catalysis of multifarious salen type ytterbium complexes modulated by anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13190","13199","10.1039/c3dt51556g","","","0.71073","MoKα","","0.0835","0.0562","","","0.141","0.1549","","","","","","1.11","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023596","33.078","0.002","17.9366","0.0012","17.3144","0.0012","90","","115.197","0.001","90","","9295.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H41 Cl4 O20 Yb3 -","- C24 H33 Cl4 O20 Yb3 -","- C192 H264 Cl32 O160 Yb24 -","8","1","","Zou, Xiaoyan; Yan, Pengfei; Zhang, Juwen; Zhang, Fengming; Hou, Guangfeng; Li, Guangming","NIR luminescence and catalysis of multifarious salen type ytterbium complexes modulated by anions.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13190","13199","10.1039/c3dt51556g","","","0.71073","MoKα","","0.0506","0.0394","","","0.1095","0.1161","","","","","","1.075","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023597","9.3636","0.0008","34.41","0.003","9.3807","0.0008","90","","117.124","0.002","90","","2690.1","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 N2 O P2 S -","- C31 H30 N2 O P2 S -","- C124 H120 N8 O4 P8 S4 -","4","1","","Majhi, Paresh Kumar; Sauerbrey, Susanne; Leiendecker, Alexander; Schnakenburg, Gregor; Arduengo, 3rd, Anthony J; Streubel, Rainer","Synthesis and first complexes of C(4/5) P-bifunctional imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13126","13136","10.1039/c3dt51557e","","","0.71073","MoKα","","0.047","0.0377","","","0.0933","0.0978","","","","","","1.067","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023598","11.6761","0.0009","11.715","0.0011","12.7206","0.0013","104.978","0.004","104.629","0.003","111.483","0.003","1442.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 N2 O2 P2 S -","- C32 H32 N2 O2 P2 S -","- C64 H64 N4 O4 P4 S2 -","2","1","","Majhi, Paresh Kumar; Sauerbrey, Susanne; Leiendecker, Alexander; Schnakenburg, Gregor; Arduengo, 3rd, Anthony J; Streubel, Rainer","Synthesis and first complexes of C(4/5) P-bifunctional imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13126","13136","10.1039/c3dt51557e","","","0.71073","MoKα","","0.0762","0.0436","","","0.0961","0.1079","","","","","","1.037","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023599","12.4616","0.0003","20.6622","0.0006","12.8212","0.0004","90","","90","","90","","3301.25","0.16","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C39 H30 N2 O P2 S2 -","- C39 H30 N2 O P2 S2 -","- C156 H120 N8 O4 P8 S8 -","4","1","","Majhi, Paresh Kumar; Sauerbrey, Susanne; Leiendecker, Alexander; Schnakenburg, Gregor; Arduengo, 3rd, Anthony J; Streubel, Rainer","Synthesis and first complexes of C(4/5) P-bifunctional imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13126","13136","10.1039/c3dt51557e","","","0.71073","MoKα","","0.0459","0.0411","","","0.1012","0.1046","","","","","","1.038","","","","has coordinates","179940","2020-10-21","18:00:00",""
"7023600","15.6164","0.0016","12.2568","0.0012","14.9796","0.0014","90","","112.742","0.003","90","","2644.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 N2 P2 S3 -","- C29 H26 N2 P2 S3 -","- C116 H104 N8 P8 S12 -","4","0.5","","Majhi, Paresh Kumar; Sauerbrey, Susanne; Leiendecker, Alexander; Schnakenburg, Gregor; Arduengo, 3rd, Anthony J; Streubel, Rainer","Synthesis and first complexes of C(4/5) P-bifunctional imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13126","13136","10.1039/c3dt51557e","","","0.71073","MoKα","","0.0327","0.0286","","","0.0741","0.0767","","","","","","1.047","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023601","11.1582","0.0002","26.3418","0.0005","17.2063","0.0003","90","","116.566","0.001","90","","4523.44","0.15","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H43 Cl9 N2 O3 P2 S Ti -","- C37 H43 Cl9 N2 O3 P2 S Ti -","- C148 H172 Cl36 N8 O12 P8 S4 Ti4 -","4","1","","Majhi, Paresh Kumar; Sauerbrey, Susanne; Leiendecker, Alexander; Schnakenburg, Gregor; Arduengo, 3rd, Anthony J; Streubel, Rainer","Synthesis and first complexes of C(4/5) P-bifunctional imidazole-2-thiones.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13126","13136","10.1039/c3dt51557e","","","0.71073","MoKα","","0.0617","0.04","","","0.0973","0.1052","","","","","","1.048","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023602","13.3445","0.0002","12.0554","0.0002","17.4604","0.0003","90","","90.072","0.002","90","","2808.91","0.08","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Cl2 Cu2 N6 O12 -","- C16 H36 Cl2 Cu2 N6 O12 -","- C64 H144 Cl8 Cu8 N24 O48 -","4","1","","Dhal, Piu; Nandy, Madhusudan; Sadhukhan, Dipali; Zangrando, Ennio; Pilet, Guillaume; Gómez-García, Carlos J; Mitra, Samiran","Novel mixed-valence Cu compounds formed by Cu(II) dimers with double oximato bridges: in situ formation of anionic layer [Cu2(SCN)3]n(n-).","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14545","14555","10.1039/c3dt51561c","","","0.71073","MoKα","","0.0663","0.0607","","0.0703","0.065","0.0638","","","","","","1.1359","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023603","13.655","0.002","10.831","0.0012","14.25","0.001","90","","105.53","0.02","90","","2030.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cu3 N6 O1.25 S3 -","- C11 H16 Cu3 N6 O1.25 S3 -","- C44 H64 Cu12 N24 O5 S12 -","4","1","","Dhal, Piu; Nandy, Madhusudan; Sadhukhan, Dipali; Zangrando, Ennio; Pilet, Guillaume; Gómez-García, Carlos J; Mitra, Samiran","Novel mixed-valence Cu compounds formed by Cu(II) dimers with double oximato bridges: in situ formation of anionic layer [Cu2(SCN)3]n(n-).","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14545","14555","10.1039/c3dt51561c","","","1.5418","CuKα","","0.0796","0.0445","","","0.1149","0.1227","","","","","","0.953","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023604","51.203","0.004","12.5267","0.0007","29.582","0.003","90","","115.62","0.01","90","","17109","3","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H80 Cu5 N17 O4 S5 -","- C77 H80 Cu5 N17 O4 S5 -","- C616 H640 Cu40 N136 O32 S40 -","8","1","","Dhal, Piu; Nandy, Madhusudan; Sadhukhan, Dipali; Zangrando, Ennio; Pilet, Guillaume; Gómez-García, Carlos J; Mitra, Samiran","Novel mixed-valence Cu compounds formed by Cu(II) dimers with double oximato bridges: in situ formation of anionic layer [Cu2(SCN)3]n(n-).","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14545","14555","10.1039/c3dt51561c","","","0.71069","MoKα","","0.1334","0.0863","","0.1308","0.085","0.0931","","","","","","1.1115","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7023605","11.806","0.005","12.117","0.005","12.312","0.005","85.883","0.005","62.824","0.005","87.652","0.005","1562.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H31 N4 O3 Zn -","- C37 H30 N4 O3 Zn -","- C74 H60 N8 O6 Zn2 -","2","1","","Hens, Amar; Mondal, Pallab; Rajak, Kajal Krishna","Synthesis, structure and spectral properties of O,N,N coordinating ligands and their neutral Zn(ii) complexes: a combined experimental and theoretical study.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14905","14915","10.1039/c3dt51571k","","","0.71073","MoKα","","0.0791","0.05","","","0.1346","0.1505","","","","","","1.051","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023606","12.0288","0.0009","10.2873","0.0008","17.0184","0.0015","90","","96.4","0.006","90","","2092.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Cd N4 O5 -","- C19 H20 Cd N4 O5 -","- C76 H80 Cd4 N16 O20 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, Rongmin; Chen, Hui-Fen; Lu, Can-Zhong","Auxiliary ligand-directed synthesis of a series of Cd(ii)/Co(ii) coordination polymers with methylenebis(3,5-dimethylpyrazole): syntheses, crystal structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15106","15112","10.1039/c3dt51574e","","","0.71073","MoKα","","0.0586","0.0507","","","0.1366","0.1442","","","","","","1.017","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023607","9.8799","0.0016","10.0359","0.0015","12.07","0.002","103.223","0.004","109.45","0.005","96.942","0.006","1073","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20.2 Cd N4 O4.1 -","- C19 H20.2 Cd N4 O4.1 -","- C38 H40.4 Cd2 N8 O8.2 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, Rongmin; Chen, Hui-Fen; Lu, Can-Zhong","Auxiliary ligand-directed synthesis of a series of Cd(ii)/Co(ii) coordination polymers with methylenebis(3,5-dimethylpyrazole): syntheses, crystal structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15106","15112","10.1039/c3dt51574e","","","0.71073","MoKα","","0.0885","0.0712","","","0.1873","0.2166","","","","","","1.07","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023608","9.17","0.02","11.31","0.02","11.92","0.03","99.587","0.014","109.51","0.02","107.6","0.03","1060","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Cd N4 O5.5 -","- C19 H20 Cd N4 O5.5 -","- C38 H40 Cd2 N8 O11 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, Rongmin; Chen, Hui-Fen; Lu, Can-Zhong","Auxiliary ligand-directed synthesis of a series of Cd(ii)/Co(ii) coordination polymers with methylenebis(3,5-dimethylpyrazole): syntheses, crystal structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15106","15112","10.1039/c3dt51574e","","","0.71073","MoKα","","0.071","0.0541","","","0.1246","0.1384","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023609","12.3835","0.0011","10.291","0.0006","16.6384","0.0013","90","","99.875","0.004","90","","2089","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Co N4 O6 -","- C19 H22 Co N4 O6 -","- C76 H88 Co4 N16 O24 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, Rongmin; Chen, Hui-Fen; Lu, Can-Zhong","Auxiliary ligand-directed synthesis of a series of Cd(ii)/Co(ii) coordination polymers with methylenebis(3,5-dimethylpyrazole): syntheses, crystal structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15106","15112","10.1039/c3dt51574e","","","0.71073","MoKα","","0.0687","0.0603","","","0.1578","0.1681","","","","","","1.038","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023610","8.894","0.0011","14.231","0.002","15.1546","0.0018","90","","98.41","0.009","90","","1897.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Co N4 O4 -","- C19 H20 Co N4 O4 -","- C76 H80 Co4 N16 O16 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, Rongmin; Chen, Hui-Fen; Lu, Can-Zhong","Auxiliary ligand-directed synthesis of a series of Cd(ii)/Co(ii) coordination polymers with methylenebis(3,5-dimethylpyrazole): syntheses, crystal structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15106","15112","10.1039/c3dt51574e","","","0.71073","MoKα","","0.0567","0.0456","","","0.1215","0.1312","","","","","","1.007","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023611","8.5843","0.0006","16.1917","0.0013","15.2083","0.0013","90","","90.796","0.005","90","","2113.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Co N4 O6 -","- C20 H20 Co N4 O6 -","- C80 H80 Co4 N16 O24 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, Rongmin; Chen, Hui-Fen; Lu, Can-Zhong","Auxiliary ligand-directed synthesis of a series of Cd(ii)/Co(ii) coordination polymers with methylenebis(3,5-dimethylpyrazole): syntheses, crystal structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15106","15112","10.1039/c3dt51574e","","","0.71073","MoKα","","0.0446","0.0421","","","0.1167","0.1212","","","","","","1.056","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023612","24.7647","0.001","11.7498","0.0005","14.098","0.0005","90","","116.307","0.001","90","","3677.4","0.3","300","2","300","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","RuCl2(PyPzH)dmso2","","- C12 H20 Cl2 N3 O2.5 Ru S2 -","- C12 H20 Cl2 N3 O2.5 Ru S2 -","- C96 H160 Cl16 N24 O20 Ru8 S16 -","8","1","","Ferrer, Íngrid; Rich, Jordi; Fontrodona, Xavier; Rodríguez, Montserrat; Romero, Isabel","Ru(II) complexes containing dmso and pyrazolyl ligands as catalysts for nitrile hydration in environmentally friendly media.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13461","13469","10.1039/c3dt51580j","","","0.71073","MoKα","","0.0248","0.0229","","","0.0674","0.0685","","","","","","1.085","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7023613","8.531","0.007","13.122","0.011","8.953","0.008","90","","116.997","0.013","90","","893","1.3","300","2","300","2","","","","","","","","7","P 1 21 1","P 2yb","4","","RuCl2(Pz-H)dmso3","","- C9 H22 Cl2 N2 O3 Ru S3 -","- C9 H22 Cl2 N2 O3 Ru S3 -","- C18 H44 Cl4 N4 O6 Ru2 S6 -","2","1","","Ferrer, Íngrid; Rich, Jordi; Fontrodona, Xavier; Rodríguez, Montserrat; Romero, Isabel","Ru(II) complexes containing dmso and pyrazolyl ligands as catalysts for nitrile hydration in environmentally friendly media.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13461","13469","10.1039/c3dt51580j","","","0.71073","MoKα","","0.0729","0.0521","","","0.1475","0.215","","","","","","1.189","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023614","14.7659","0.0005","15.7964","0.0006","17.9343","0.0006","98.906","0.003","108.024","0.003","115.872","0.003","3367.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H140 Cu4 N56 O88 Pt6 -","- C60 H140 Cu4 N56 O88 Pt6 -","- C60 H140 Cu4 N56 O88 Pt6 -","1","0.5","","Galstyan, Anzhela; Sanz Miguel, Pablo J.; Weise, Katrin; Lippert, Bernhard","Discrete and polymeric heteronuclear constructs derived from triangular 2,2'-bipyrazine complexes of cis-a2Pt(II) (with a = NH3 or a2 = en).","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16151","16161","10.1039/c3dt51589c","","","0.71073","MoKα","","0.0798","0.0528","","","0.1408","0.1469","","","","","","0.992","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023615","17.4319","0.0006","26.9557","0.0009","35.3346","0.0015","90","","90","","90","","16603.3","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C60 H126 Cu11 N70 O123 Pt6 -","- C60 H84 Cu11 N70 O123 Pt6 -","- C240 H336 Cu44 N280 O492 Pt24 -","4","0.5","","Galstyan, Anzhela; Sanz Miguel, Pablo J.; Weise, Katrin; Lippert, Bernhard","Discrete and polymeric heteronuclear constructs derived from triangular 2,2'-bipyrazine complexes of cis-a2Pt(II) (with a = NH3 or a2 = en).","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16151","16161","10.1039/c3dt51589c","","","0.71073","MoKα","","0.1716","0.0886","","","0.2254","0.2399","","","","","","1.071","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023616","14.4445","0.0004","19.8624","0.0007","27.9292","0.0012","90","","90","","90","","8013","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H98 Cd3 N18 O52 Pt3 S6 -","- C30 H68 Cd3 N18 O52 Pt3 S6 -","- C120 H272 Cd12 N72 O208 Pt12 S24 -","4","1","","Galstyan, Anzhela; Sanz Miguel, Pablo J.; Weise, Katrin; Lippert, Bernhard","Discrete and polymeric heteronuclear constructs derived from triangular 2,2'-bipyrazine complexes of cis-a2Pt(II) (with a = NH3 or a2 = en).","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16151","16161","10.1039/c3dt51589c","","","0.71073","MoKα","","0.0807","0.0499","","","0.1035","0.1077","","","","","","0.961","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023617","16.0402","0.0007","18.9585","0.0008","20.3367","0.0009","90","","105.888","0.004","90","","5948.1","0.5","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C96 H200 Ag4 B4 F88 N72 O28 Pt12 Si12 -","- C96 H144 Ag4 B4 F88 N72 O28 Pt12 Si12 -","- C96 H144 Ag4 B4 F88 N72 O28 Pt12 Si12 -","1","0.25","","Galstyan, Anzhela; Sanz Miguel, Pablo J.; Weise, Katrin; Lippert, Bernhard","Discrete and polymeric heteronuclear constructs derived from triangular 2,2'-bipyrazine complexes of cis-a2Pt(II) (with a = NH3 or a2 = en).","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16151","16161","10.1039/c3dt51589c","","","0.71073","MoKα","","0.1198","0.0732","","","0.1953","0.209","","","","","","1.016","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023618","12.2819","0.0005","12.6956","0.0003","14.8559","0.0006","115.29","0.003","107.331","0.004","91.929","0.003","1964.27","0.15","120","0.1","120","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C89 H55 Cl9 Dy2 N18 O5 -","- C89 H55 Cl9 Dy2 N18 O5 -","- C89 H55 Cl9 Dy2 N18 O5 -","1","0.5","","Wang, Hailong; Liu, Chenxi; Liu, Tao; Zeng, Suyuan; Cao, Wei; Ma, Qi; Duan, Chunying; Dou, Jianmin; Jiang, Jianzhuang","Mixed (phthalocyaninato)(Schiff-base) di-dysprosium sandwich complexes. Effect of magnetic coupling on the SMM behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15355","15360","10.1039/c3dt51590g","","","0.71073","MoKα","","0.0643","0.0579","","","0.1602","0.1652","","","","","","1.082","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023619","12.3447","0.0009","12.6876","0.0004","14.8992","0.0011","115.119","0.006","107.452","0.006","91.663","0.005","1982.3","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C89 H55 Cl9 Gd2 N18 O5 -","- C89 H55 Cl9 Gd2 N18 O5 -","- C89 H55 Cl9 Gd2 N18 O5 -","1","0.5","","Wang, Hailong; Liu, Chenxi; Liu, Tao; Zeng, Suyuan; Cao, Wei; Ma, Qi; Duan, Chunying; Dou, Jianmin; Jiang, Jianzhuang","Mixed (phthalocyaninato)(Schiff-base) di-dysprosium sandwich complexes. Effect of magnetic coupling on the SMM behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15355","15360","10.1039/c3dt51590g","","","0.71073","MoKα","","0.0762","0.0642","","","0.1792","0.1898","","","","","","1.088","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023620","21.773","0.01","12.4264","0.0008","23.7209","0.0006","90","","90","","90","","6418","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H60 Dy2 N6 O15 -","- C66 H60 Dy2 N6 O15 -","- C264 H240 Dy8 N24 O60 -","4","1","","Wang, Hailong; Liu, Chenxi; Liu, Tao; Zeng, Suyuan; Cao, Wei; Ma, Qi; Duan, Chunying; Dou, Jianmin; Jiang, Jianzhuang","Mixed (phthalocyaninato)(Schiff-base) di-dysprosium sandwich complexes. Effect of magnetic coupling on the SMM behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15355","15360","10.1039/c3dt51590g","","","0.71073","MoKα","","0.055","0.0434","","","0.1103","0.1178","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023621","21.8735","0.0013","12.4022","0.0007","23.739","0.0014","90","","90","","90","","6439.9","0.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H60 Gd2 N6 O15 -","- C66 H60 Gd2 N6 O15 -","- C264 H240 Gd8 N24 O60 -","4","1","","Wang, Hailong; Liu, Chenxi; Liu, Tao; Zeng, Suyuan; Cao, Wei; Ma, Qi; Duan, Chunying; Dou, Jianmin; Jiang, Jianzhuang","Mixed (phthalocyaninato)(Schiff-base) di-dysprosium sandwich complexes. Effect of magnetic coupling on the SMM behavior.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15355","15360","10.1039/c3dt51590g","","","0.71073","MoKα","","0.0501","0.0436","","","0.1195","0.1256","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023622","8.755","0.003","10.203","0.003","13.952","0.004","65.946","0.017","74.499","0.018","78.61","0.02","1091.1","0.6","153","2","153","2","","","","","","","","8","P -1","-P 1","2","[PdCl(PySMePy)](OTf)","","","- C18 H15 Cl F3 N3 O3 Pd S3 -","- C18 H15 Cl F3 N3 O3 Pd S3 -","- C36 H30 Cl2 F6 N6 O6 Pd2 S6 -","2","1","","Kawada, Yumi; Kataoka, Yasutaka; Ura, Yasuyuki","Fluxional interconversion of divalent palladium complexes having NSNSN ligands between flexible SNS and rigid NNN-coordinated structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14844","14855","10.1039/c3dt51592c","","","0.71075","MoKα","","0.0792","0.065","","","0.1574","0.1715","","","","","","1.082","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023623","17.791","0.0013","12.9731","0.0006","18.4171","0.0011","90","","110.727","0.002","90","","3975.6","0.4","173","2","173","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","[Pd(PSMePy)(PPh3)](OTf)2","","","- C35 H28 F6 N5 O6 P Pd S4 -","- C35 H28 F6 N5 O6 P Pd S4 -","- C140 H112 F24 N20 O24 P4 Pd4 S16 -","4","1","","Kawada, Yumi; Kataoka, Yasutaka; Ura, Yasuyuki","Fluxional interconversion of divalent palladium complexes having NSNSN ligands between flexible SNS and rigid NNN-coordinated structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14844","14855","10.1039/c3dt51592c","","","0.7107","MoKα","","0.0662","0.0535","","","0.1379","0.1493","","","","","","1.107","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023624","13.5036","0.001","16.6916","0.0012","19.3851","0.0013","86.024","0.001","85.884","0.001","85.816","0.001","4337.4","0.5","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H32 Ag7 N21 O71 P2 W18 -","- C24 H16 Ag7 N21 O71 P2 W18 -","- C48 H32 Ag14 N42 O142 P4 W36 -","2","1","","Wang, Xiuli; Li, Na; Tian, Aixiang; Ying, Jun; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Yang, Yang","Two polyoxometalate-directed 3D metal-organic frameworks with multinuclear silver-ptz cycle/belts as subunits.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14856","14865","10.1039/c3dt51610e","","","0.71073","MoKα","","0.0921","0.0591","","","0.1345","0.1514","","","","","","1.023","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023625","10.2357","0.0008","12.9432","0.0009","13.4154","0.001","77.732","0.001","67.908","0.001","82.356","0.001","1606.4","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H27 Ag6 Mo12 N20 O45 P -","- C24 H16 Ag6 Mo12 N20 O45 P -","- C24 H16 Ag6 Mo12 N20 O45 P -","1","0.5","","Wang, Xiuli; Li, Na; Tian, Aixiang; Ying, Jun; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Yang, Yang","Two polyoxometalate-directed 3D metal-organic frameworks with multinuclear silver-ptz cycle/belts as subunits.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14856","14865","10.1039/c3dt51610e","","","0.71073","MoKα","","0.0604","0.0514","","","0.1059","0.1093","","","","","","1.136","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023626","10.5097","0.0002","12.3812","0.0002","33.8422","0.0005","90","","90","","90","","4403.64","0.13","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 Hf N3 -","- C24 H31 Hf N3 -","- C192 H248 Hf8 N24 -","8","1","","Luconi, Lapo; Klosin, Jerzy; Smith, Austin J.; Germain, Stéphane; Schulz, Emmanuelle; Hannedouche, Jérôme; Giambastiani, Giuliano","Cationic Group-IV pincer-type complexes for polymerization and hydroamination catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16056","16065","10.1039/c3dt51620b","","","0.71073","MoKα","","0.0258","0.0207","","","0.0374","0.0387","","","","","","1.198","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023627","9.7894","0.0009","5.4213","0.0005","14.9847","0.0013","90","","104.713","0.005","90","","769.18","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Co3 O18 -","- C6 H18 Co3 O18 -","- C12 H36 Co6 O36 -","2","0.5","","Sen, Rupam; Mal, Dasarath; Lopes, Armandina M. L.; Brandão, Paula; Araújo, João P; Lin, Zhi","Layered transition metal carboxylates: synthesis, structural aspects and observation of multi-step magnetic transition through phase diagram.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14836","14843","10.1039/c3dt51626a","","","0.71073","MoKα","","0.0333","0.026","","","0.0534","0.056","","","","","","1.041","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023628","9.914","0.007","5.449","0.004","15.142","0.011","90","","105.99","0.03","90","","786.3","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Ni3 O18 -","- C6 H18 Ni3 O18 -","- C12 H36 Ni6 O36 -","2","0.5","","Sen, Rupam; Mal, Dasarath; Lopes, Armandina M. L.; Brandão, Paula; Araújo, João P; Lin, Zhi","Layered transition metal carboxylates: synthesis, structural aspects and observation of multi-step magnetic transition through phase diagram.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14836","14843","10.1039/c3dt51626a","","","0.71073","MoKα","","0.0611","0.041","","","0.0991","0.1076","","","","","","1.063","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023629","7.7581","0.0008","15.7652","0.0016","22.81","0.002","90","","90","","90","","2789.8","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 Cd N7 O8 -","- C26 H25 Cd N7 O8 -","- C104 H100 Cd4 N28 O32 -","4","1","","Song, Eun Joo; Kang, Juhye; You, Ga Rim; Park, Gyeong Jin; Kim, Youngmee; Kim, Sung-Jin; Kim, Cheal; Harrison, Roger G.","A single molecule that acts as a fluorescence sensor for zinc and cadmium and a colorimetric sensor for cobalt.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15514","15520","10.1039/c3dt51635k","","","0.71073","MoKα","","0.027","0.0265","","","0.0606","0.0608","","","","","","1.125","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023630","7.0076","0.0006","7.0747","0.0006","9.9225","0.0008","82.328","0.001","82.083","0.001","64.487","0.001","438.21","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Trisaqua-Neptunyl-dinitrate","tris-aqua-Neptunyldinitrate","","- H6 N2 Np O11 -","- H6 N2 Np O11 -","- H12 N4 Np2 O22 -","2","1","","Lindqvist-Reis, Patric; Apostolidis, Christos; Walter, Olaf; Marsac, Remi; Banik, Nidhu Lal; Skripkin, Mikhail Yu; Rothe, Jörg; Morgenstern, Alfred","Structure and spectroscopy of hydrated neptunyl(vi) nitrate complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15275","15279","10.1039/c3dt51650d","","","0.71073","MoKα","","0.0286","0.0266","","","0.0719","0.0751","","","","","","1.191","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023631","8.8647","0.0006","28.4028","0.0015","9.9019","0.0006","90","","93.77","0.004","90","","2487.7","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 F6 N6 P Rh -","- C22 H26 F6 N6 P Rh -","- C88 H104 F24 N24 P4 Rh4 -","4","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.0574","0.0497","","","0.1173","0.1219","","","","","","1.058","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023632","8.7519","0.0005","14.9783","0.0007","31.9899","0.0014","90","","90","","90","","4193.5","0.4","192","2","192","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H26 Ir N5 -","- C23 H26 Ir N5 -","- C184 H208 Ir8 N40 -","8","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.0293","0.0208","","","0.047","0.05","","","","","","1.023","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023633","34.5018","0.0019","7.6323","0.0005","22.3074","0.0015","90","","125.421","0.002","90","","4786.9","0.5","191","2","191","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Cl2 N5 Rh -","- C24 H28 Cl2 N5 Rh -","- C192 H224 Cl16 N40 Rh8 -","8","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.0275","0.0246","","","0.0618","0.0666","","","","","","1.064","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023634","12.9484","0.0006","21.524","0.0009","20.3894","0.0009","90","","108.669","0.001","90","","5383.6","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 F18 N9 P3 Rh2 -","- C44 H52 F18 N9 P3 Rh2 -","- C176 H208 F72 N36 P12 Rh8 -","4","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.0375","0.0319","","","0.0856","0.0883","","","","","","1.085","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023635","13.0022","0.0007","13.3883","0.0008","14.0886","0.0008","71.928","0.003","80.972","0.002","63.631","0.002","2088.4","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H49 F6 N6 P Rh2 -","- C44 H49 F6 N6 P Rh2 -","- C88 H98 F12 N12 P2 Rh4 -","2","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.11","0.0613","","","0.1301","0.1833","","","","","","1.133","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023636","13.8507","0.0012","14.1135","0.0012","14.1254","0.0012","114.573","0.002","96.515","0.003","95.075","0.003","2466.7","0.4","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C49 H61 Cl2 F6 N6 O P Rh2 -","- C49 H49 Cl2 F6 N6 O P Rh2 -","- C98 H98 Cl4 F12 N12 O2 P2 Rh4 -","2","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.054","0.0454","","","0.121","0.1291","","","","","","1.069","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023637","11.6756","0.0008","14.2627","0.0009","14.4068","0.0008","99.704","0.002","111.325","0.002","96.083","0.002","2166","0.2","185","2","185","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H51 B F4 N6.5 O0.25 Rh2 -","- C45 H49 B F4 N6.5 O0.25 Rh2 -","- C90 H98 B2 F8 N13 O0.5 Rh4 -","2","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.049","0.0404","","","0.1029","0.1079","","","","","","1.036","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023638","12.989","0.0004","21.3738","0.0005","20.4689","0.0004","90","","109.311","0.001","90","","5362.9","0.2","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 F18 Ir N9 P3 Rh -","- C44 H52 F18 Ir N9 P3 Rh -","- C176 H208 F72 Ir4 N36 P12 Rh4 -","4","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.0689","0.0477","","","0.1152","0.1354","","","","","","1.126","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023639","26.1251","0.001","26.1251","0.001","14.4637","0.0005","90","","90","","90","","9871.8","0.6","193","2","193","2","","","","","","","","8","P -4 21 c","P -4 2n","114","","","","- C43 H51 F12 Ir N7 O P2 Rh -","- C43 H49 F12 Ir N7 O P2 Rh -","- C344 H392 F96 Ir8 N56 O8 P16 Rh8 -","8","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.0536","0.0508","","","0.1371","0.1389","","","","","","1.092","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023640","26.0416","0.0005","26.0416","0.0005","14.3561","0.0003","90","","90","","90","","9735.8","0.3","191","2","191","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C43 H49 F12 Ir N7 P2 Rh -","- C43 H49 F12 Ir N7 P2 Rh -","- C344 H392 F96 Ir8 N56 P16 Rh8 -","8","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.0516","0.0494","","","0.1485","0.1507","","","","","","1.034","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023641","11.6443","0.0009","14.1518","0.0008","14.4628","0.0008","99.082","0.002","111.484","0.003","96.501","0.004","2151.6","0.2","192","2","192","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H51 B F4 Ir N6.5 O0.25 Rh -","- C45 H49 B F4 Ir N6.5 O0.25 Rh -","- C90 H98 B2 F8 Ir2 N13 O0.5 Rh2 -","2","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.0555","0.0463","","","0.1179","0.1241","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023642","13.7305","0.0004","15.6553","0.0009","18.2761","0.0008","67.466","0.003","76.436","0.002","82.757","0.002","3524.5","0.3","192","2","192","2","","","","","","","","8","P -1","-P 1","2","","","","- C77 H91 B Cl2 Ir N6 O2 Rh -","- C77 H91 B Cl2 Ir N6 O2 Rh -","- C154 H182 B2 Cl4 Ir2 N12 O4 Rh2 -","2","1","","Takayama, Asuka; Suzuki, Takayoshi; Ikeda, Miyu; Sunatsuki, Yukinari; Kojima, Masaaki","Comparison of ancillary ligand effects between 2,2'-bipyridine and 2-(2'-pyridyl)phenyl in the linkage and bridging isomerism of 5-methyltetrazolato iridium(III) and/or rhodium(III) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14556","14567","10.1039/c3dt51667a","","","0.71075","MoKα","","0.0704","0.056","","","0.1554","0.1664","","","","","","1.077","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023643","10.5026","0.0002","19.8758","0.0004","9.4612","0.0002","90","","96.053","0.001","90","","1963.99","0.07","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N4 S -","- C10 H8 N4 S -","- C80 H64 N32 S8 -","8","1","","Sinha, Indranil; Kösters, Jutta; Hepp, Alexander; Müller, Jens","6-Substituted purines containing thienyl or furyl substituents as artificial nucleobases for metal-mediated base pairing.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16080","16089","10.1039/c3dt51691a","","","0.71073","MoKα","","0.0474","0.0383","","","0.1076","0.1142","","","","","","1.037","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023644","7.4259","0.0002","17.6396","0.0005","6.8688","0.0002","90","","98.245","0.002","90","","890.44","0.04","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 O -","- C10 H8 N4 O -","- C40 H32 N16 O4 -","4","1","","Sinha, Indranil; Kösters, Jutta; Hepp, Alexander; Müller, Jens","6-Substituted purines containing thienyl or furyl substituents as artificial nucleobases for metal-mediated base pairing.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16080","16089","10.1039/c3dt51691a","","","0.71073","MoKα","","0.0497","0.0422","","","0.1181","0.1239","","","","","","1.066","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023645","22.652","0.003","7.2312","0.0009","18.795","0.002","90","","94.954","0.003","90","","3067.1","0.6","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Ag N6 O3 S -","- C12 H11 Ag N6 O3 S -","- C96 H88 Ag8 N48 O24 S8 -","8","1","","Sinha, Indranil; Kösters, Jutta; Hepp, Alexander; Müller, Jens","6-Substituted purines containing thienyl or furyl substituents as artificial nucleobases for metal-mediated base pairing.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16080","16089","10.1039/c3dt51691a","","","0.71073","MoKα","","0.0597","0.0507","","","0.1531","0.1648","","","","","","1.058","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023646","18.5949","0.0013","10.8315","0.0007","15.5754","0.001","90","","126.104","0.001","90","","2534.6","0.3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cl4 Cu2 N8 O4 -","- C20 H20 Cl4 Cu2 N8 O4 -","- C80 H80 Cl16 Cu8 N32 O16 -","4","0.5","","Sinha, Indranil; Kösters, Jutta; Hepp, Alexander; Müller, Jens","6-Substituted purines containing thienyl or furyl substituents as artificial nucleobases for metal-mediated base pairing.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16080","16089","10.1039/c3dt51691a","","","0.71073","MoKα","","0.0288","0.0265","","","0.0717","0.073","","","","","","1.102","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023647","16.7332","0.0006","10.315","0.0004","20.3164","0.0014","90","","101.664","0.007","90","","3434.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","bis(1,2-diaminoethane)copper(II) trifluoromethanesulfonate","","- C6 H16 Cu F6 N4 O6 S2 -","- C6 H16 Cu F6 N4 O6 S2 -","- C48 H128 Cu8 F48 N32 O48 S16 -","8","2","","Carter, Emma; Hazeland, E. Louise; Murphy, Damien M.; Ward, Benjamin D.","Structure, EPR/ENDOR and DFT characterisation of a [Cu(II)(en)2](OTf)2 complex.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15088","15096","10.1039/c3dt51694f","","","0.71073","MoKα","","0.0301","0.0251","","","0.0683","0.0703","","","","","","1.097","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023648","18.121","0.009","9.62","0.005","27.973","0.015","90","","90","","90","","4876","4","223.1","","223.1","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H25 Cl N O P Pd -","- C27 H25 Cl N O P Pd -","- C216 H200 Cl8 N8 O8 P8 Pd8 -","8","1","","Isozaki, Katsuhiro; Haga, Yusuke; Ogata, Kazuki; Naota, Takeshi; Takaya, Hikaru","Metal array fabrication based on ultrasound-induced self-assembly of metalated dipeptides.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15953","15966","10.1039/c3dt51696b","","","0.7107","MoKα","","","0.0606","","","","0.1503","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023649","27.878","0.005","17.866","0.003","9.5315","0.0017","90","","90","","90","","4747.3","1.4","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","PtOH2","","","- C27 H25 Cl N O P Pt -","- C27 H25 Cl N O P Pt -","- C216 H200 Cl8 N8 O8 P8 Pt8 -","8","1","","Isozaki, Katsuhiro; Haga, Yusuke; Ogata, Kazuki; Naota, Takeshi; Takaya, Hikaru","Metal array fabrication based on ultrasound-induced self-assembly of metalated dipeptides.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","15953","15966","10.1039/c3dt51696b","","","0.6998","synchrotron","","0.0281","0.0244","","","0.0589","0.0608","","","","","","1.037","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023650","8.894","0.002","10.831","0.003","16.488","0.005","96.111","0.009","91.754","0.009","110.671","0.009","1473.6","0.7","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H41 Br4 N3 O Re -","- C21 H41 Br4 N3 O Re -","- C42 H82 Br8 N6 O2 Re2 -","2","1","","Pacheco, Mario; Cuevas, Alicia; González-Platas, Javier; Faccio, Ricardo; Lloret, Francesc; Julve, Miguel; Kremer, Carlos","Synthesis, crystal structure and magnetic properties of the Re(ii) complexes NBu4[Re(NO)Br4(L)] (L = pyridine and diazine type ligands).","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15361","15371","10.1039/c3dt51699g","","","0.71073","MoKα","","0.0519","0.0328","","","0.0672","0.0724","","","","","","0.99","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023651","11.858","0.005","12.02","0.02","12.483","0.011","70.37","0.12","66.4","0.05","85.37","0.1","1533","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H40 Br4 N4 O Re -","- C20 H40 Br4 N4 O Re -","- C40 H80 Br8 N8 O2 Re2 -","2","1","","Pacheco, Mario; Cuevas, Alicia; González-Platas, Javier; Faccio, Ricardo; Lloret, Francesc; Julve, Miguel; Kremer, Carlos","Synthesis, crystal structure and magnetic properties of the Re(ii) complexes NBu4[Re(NO)Br4(L)] (L = pyridine and diazine type ligands).","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15361","15371","10.1039/c3dt51699g","","","0.71073","MoKα","","0.1996","0.1013","","","0.2547","0.325","","","","","","1.009","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023652","8.909","0.004","10.891","0.003","16.565","0.002","96.35","0.02","92.01","0.02","109.79","0.04","1498.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H40 Br4 N4 O Re -","- C20 H40 Br4 N4 O Re -","- C40 H80 Br8 N8 O2 Re2 -","2","1","","Pacheco, Mario; Cuevas, Alicia; González-Platas, Javier; Faccio, Ricardo; Lloret, Francesc; Julve, Miguel; Kremer, Carlos","Synthesis, crystal structure and magnetic properties of the Re(ii) complexes NBu4[Re(NO)Br4(L)] (L = pyridine and diazine type ligands).","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15361","15371","10.1039/c3dt51699g","","","0.71073","MoKα","","0.075","0.0446","","","0.1205","0.1366","","","","","","1.04","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023653","8.9061","0.0012","10.8464","0.0006","16.5056","0.0011","95.977","0.005","91.828","0.008","110.422","0.009","1482.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H40 Br4 N4 O Re -","- C20 H40 Br4 N4 O Re -","- C40 H80 Br8 N8 O2 Re2 -","2","1","","Pacheco, Mario; Cuevas, Alicia; González-Platas, Javier; Faccio, Ricardo; Lloret, Francesc; Julve, Miguel; Kremer, Carlos","Synthesis, crystal structure and magnetic properties of the Re(ii) complexes NBu4[Re(NO)Br4(L)] (L = pyridine and diazine type ligands).","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15361","15371","10.1039/c3dt51699g","","","0.7107","MoKα","","0.0348","0.0269","","","0.0506","0.054","","","","","","1.011","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023654","16.9402","0.0019","24.619","0.003","18.248","0.002","90","","91.536","0.002","90","","7607.6","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C85 H64 N9 O11 Y3 -","- C85 H64 N9 O11 Y3 -","- C340 H256 N36 O44 Y12 -","4","1","","Baranov, Evgeny V.; Fukin, Georgy K.; Balashova, Tatyana V.; Pushkarev, Anatoly P.; Grishin, Ivan D.; Bochkarev, Mikhail N.","8-Quinolinolate complexes of yttrium and ytterbium: molecular arrangement and fragmentation under laser impact.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15699","15705","10.1039/c3dt51706c","","","0.71073","MoKα","","0.1904","0.0827","","","0.1815","0.2285","","","","","","1.017","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023655","16.4688","0.0009","24.5129","0.0013","18.2696","0.001","90","","91.779","0.001","90","","7371.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H66.5 N9 O11.5 Yb3 -","- C86 H66.5 N9 O11.5 Yb3 -","- C344 H266 N36 O46 Yb12 -","4","1","","Baranov, Evgeny V.; Fukin, Georgy K.; Balashova, Tatyana V.; Pushkarev, Anatoly P.; Grishin, Ivan D.; Bochkarev, Mikhail N.","8-Quinolinolate complexes of yttrium and ytterbium: molecular arrangement and fragmentation under laser impact.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15699","15705","10.1039/c3dt51706c","","","0.71073","MoKα","","0.0697","0.0397","","","0.0811","0.0876","","","","","","1.016","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023656","16.9892","0.00007","17.17527","0.00006","19.71472","0.00009","90","","90","","90","","5752.64","0.04","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H60 Cl2 Fe N10 O11 -","- C62 H60 Cl2 Fe N10 O11 -","- C248 H240 Cl8 Fe4 N40 O44 -","4","1","","Howson, Suzanne E.; Clarkson, Guy J.; Faulkner, Alan D.; Kaner, Rebecca A.; Whitmore, Michael J.; Scott, Peter","Optically pure heterobimetallic helicates from self-assembly and click strategies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14967","14981","10.1039/c3dt51725j","","","1.54184","CuKα","","0.0304","0.0298","","","0.0781","0.0784","","","","","","1.068","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023657","20.5043","0.0004","20.5043","0.0004","20.5043","0.0004","90","","90","","90","","8620.5","0.3","100","2","100","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C72 H69 Cl2.67 Cu Fe I N15 O13.68 -","- C72 H69 Cl2.66 Cu Fe I0.99 N15 O13.64 -","- C288 H276 Cl10.64 Cu4 Fe4 I3.96 N60 O54.56 -","4","0.333333","","Howson, Suzanne E.; Clarkson, Guy J.; Faulkner, Alan D.; Kaner, Rebecca A.; Whitmore, Michael J.; Scott, Peter","Optically pure heterobimetallic helicates from self-assembly and click strategies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14967","14981","10.1039/c3dt51725j","","","1.54184","CuKα","","0.1125","0.0876","","","0.2093","0.2242","","","","","","1.369","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023658","18.4606","0.0002","18.4606","0.0002","18.4606","0.0002","90","","90","","90","","6291.26","0.12","120","2","120","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C61.5 H63 Cl2 Fe N9 O12.5 -","- C61.5 H57 Cl2 Fe N9 O12.5 -","- C246 H228 Cl8 Fe4 N36 O50 -","4","0.333333","","Howson, Suzanne E.; Clarkson, Guy J.; Faulkner, Alan D.; Kaner, Rebecca A.; Whitmore, Michael J.; Scott, Peter","Optically pure heterobimetallic helicates from self-assembly and click strategies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14967","14981","10.1039/c3dt51725j","","","0.71073","MoKα","","0.1241","0.0797","","","0.1869","0.209","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023659","12.273","0.005","8.397","0.004","23.276","0.008","90","","90","","90","","2398.7","1.7","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Br4 N O Sb -","- C4 H10 Br4 N O Sb -","- C32 H80 Br32 N8 O8 Sb8 -","8","1","","Owczarek, Magdalena; Jakubas, Ryszard; Pietraszko, Adam; Medycki, Wojciech; Baran, Jan","Investigation of structure-properties relationship in a novel family of halogenoantimonates(iii) and halogenobismuthates(iii) with morpholinium cation: [NH2(C2H4)2O]MX4. Crystal structure, phase transitions and dynamics of molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15069","15079","10.1039/c3dt51726h","","","0.71073","MoKα","","0.0441","0.0244","","","0.0405","0.0426","","","","","","0.859","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023660","11.776","0.004","8.293","0.003","22.415","0.006","90","","90","","90","","2189","1.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Cl4 N O Sb -","- C4 H10 Cl4 N O Sb -","- C32 H80 Cl32 N8 O8 Sb8 -","8","1","","Owczarek, Magdalena; Jakubas, Ryszard; Pietraszko, Adam; Medycki, Wojciech; Baran, Jan","Investigation of structure-properties relationship in a novel family of halogenoantimonates(iii) and halogenobismuthates(iii) with morpholinium cation: [NH2(C2H4)2O]MX4. Crystal structure, phase transitions and dynamics of molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15069","15079","10.1039/c3dt51726h","","","0.71073","MoKα","","0.024","0.0175","","","0.0372","0.0385","","","","","","1.067","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023661","12.666","0.003","12.675","0.003","8.087","0.0016","90","","108.33","0.03","90","","1232.4","0.5","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Bi Br4 N O -","- C4 H10 Bi Br4 N O -","- C16 H40 Bi4 Br16 N4 O4 -","4","1","","Owczarek, Magdalena; Jakubas, Ryszard; Pietraszko, Adam; Medycki, Wojciech; Baran, Jan","Investigation of structure-properties relationship in a novel family of halogenoantimonates(iii) and halogenobismuthates(iii) with morpholinium cation: [NH2(C2H4)2O]MX4. Crystal structure, phase transitions and dynamics of molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15069","15079","10.1039/c3dt51726h","","","0.71073","MoKα","","0.0593","0.0271","","","0.0403","0.0426","","","","","","0.819","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023662","12.744","0.003","14.106","0.003","7.5546","0.0015","90","","106.35","0.03","90","","1303.1","0.5","346","2","346","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Bi Br4 N O -","- C4 H10 Bi Br4 N O -","- C16 H40 Bi4 Br16 N4 O4 -","4","1","","Owczarek, Magdalena; Jakubas, Ryszard; Pietraszko, Adam; Medycki, Wojciech; Baran, Jan","Investigation of structure-properties relationship in a novel family of halogenoantimonates(iii) and halogenobismuthates(iii) with morpholinium cation: [NH2(C2H4)2O]MX4. Crystal structure, phase transitions and dynamics of molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15069","15079","10.1039/c3dt51726h","","","0.71073","MoKα","","0.1204","0.0415","","","0.0612","0.0695","","","","","","0.923","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023663","12.4513","0.0011","12.6024","0.0018","8.1075","0.0016","90.115","0.011","106.539","0.011","96.441","0.013","1211.1","0.3","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H10 Bi Br4 N O -","- C4 H10 Bi Br4 N O -","- C16 H40 Bi4 Br16 N4 O4 -","4","2","","Owczarek, Magdalena; Jakubas, Ryszard; Pietraszko, Adam; Medycki, Wojciech; Baran, Jan","Investigation of structure-properties relationship in a novel family of halogenoantimonates(iii) and halogenobismuthates(iii) with morpholinium cation: [NH2(C2H4)2O]MX4. Crystal structure, phase transitions and dynamics of molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15069","15079","10.1039/c3dt51726h","","","0.71073","MoKα","","0.1158","0.0648","","","0.1234","0.1348","","","","","","1.041","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023664","8.046","0.0016","5.793","0.0012","19.177","0.004","90","","97.46","0.03","90","","886.3","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C17 H16 N2 O6 Zn -","- C17 H16 N2 O6 Zn -","- C34 H32 N4 O12 Zn2 -","2","0.5","","Hwang, In Hong; Bae, Jeong Mi; Hwang, Yong-Kyung; Kim, Ha-Yeong; Kim, Cheal; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee","CO2 selective dynamic two-dimensional Zn(II) coordination polymer.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15645","15649","10.1039/c3dt51729b","","","0.71073","MoKα","","0.0347","0.0321","","","0.0963","0.0974","","","","","","1.123","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023665","5.2428","0.0005","17.3184","0.0017","8.4028","0.0017","90","","93.638","0.011","90","","761.41","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H8 Cl2 Cu N2 O4 -","- C16 H8 Cl2 Cu N2 O4 -","- C32 H16 Cl4 Cu2 N4 O8 -","2","1","","Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka","Stacking of metal chelating rings with π-systems in mononuclear complexes of copper(ii) with 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone (chloranilic acid) and 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15756","15765","10.1039/c3dt51734a","","x-ray","1.54179","CuKα","","","0.0995","","","","0.2589","","","","","","1.064","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023666","25.0006","0.0006","7.4597","0.0002","17.2095","0.0004","90","","104.509","0.003","90","","3107.16","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Cl2 Cu N2 O4 -","- C16 H8 Cl2 Cu N2 O4 -","- C128 H64 Cl16 Cu8 N16 O32 -","8","1","","Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka","Stacking of metal chelating rings with π-systems in mononuclear complexes of copper(ii) with 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone (chloranilic acid) and 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15756","15765","10.1039/c3dt51734a","","x-ray","1.54184","CuKα","","","0.036","","","","0.1057","","","","","","1.067","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023667","9.6513","0.0002","13.288","0.0003","14.3512","0.0005","90","","98.049","0.002","90","","1822.36","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl2 Cu N2 O6 -","- C17 H14 Cl2 Cu N2 O6 -","- C68 H56 Cl8 Cu4 N8 O24 -","4","1","","Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka","Stacking of metal chelating rings with π-systems in mononuclear complexes of copper(ii) with 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone (chloranilic acid) and 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15756","15765","10.1039/c3dt51734a","","x-ray","1.54179","CuKα","","","0.0479","","","","0.1352","","","","","","1.05","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023668","9.5497","0.0007","13.106","0.001","13.2621","0.001","105.921","0.007","107.693","0.007","99.079","0.006","1467.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H22 Cl2 Cu N5 O5 -","- C31 H22 Cl2 Cu N5 O5 -","- C62 H44 Cl4 Cu2 N10 O10 -","2","1","","Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka","Stacking of metal chelating rings with π-systems in mononuclear complexes of copper(ii) with 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone (chloranilic acid) and 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15756","15765","10.1039/c3dt51734a","","x-ray","1.54184","CuKα","","","0.0746","","","","0.2433","","","","","","1.134","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023669","10.2366","0.0009","13.1074","0.0009","13.4361","0.0012","63.309","0.008","68.186","0.008","81.456","0.007","1495","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H24 Cl2 Cu N5 O6 S0 -","- C31 H24 Cl2 Cu N5 O6 -","- C62 H48 Cl4 Cu2 N10 O12 -","2","1","","Molčanov, Krešimir; Jurić, Marijana; Kojić-Prodić, Biserka","Stacking of metal chelating rings with π-systems in mononuclear complexes of copper(ii) with 3,6-dichloro-2,5-dihydroxy-1,4-benzoquinone (chloranilic acid) and 2,2'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15756","15765","10.1039/c3dt51734a","","x-ray","1.54184","CuKα","","","0.102","","","","0.2627","","","","","","0.886","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023670","16.2527","0.0009","15.8456","0.0009","17.1208","0.0008","90","","106.582","0.002","90","","4225.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H21 Al F27 N -","- C44 H21 Al F27 N -","- C176 H84 Al4 F108 N4 -","4","1","","Ménard, Gabriel; Tran, Lina; Stephan, Douglas W.","Activation of H2 using P/Al based frustrated Lewis pairs and reactions with olefins.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13685","13691","10.1039/c3dt51739j","","","0.71073","MoKα","","0.0972","0.0451","","","0.1221","0.1556","","","","","","0.901","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023671","9.9703","0.0005","10.2507","0.0005","12.0527","0.0006","90.089","0.003","113.851","0.002","96.326","0.003","1118.32","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H11 Al F12 -","- C25 H11 Al F12 -","- C50 H22 Al2 F24 -","2","1","","Ménard, Gabriel; Tran, Lina; Stephan, Douglas W.","Activation of H2 using P/Al based frustrated Lewis pairs and reactions with olefins.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13685","13691","10.1039/c3dt51739j","","","0.71073","MoKα","","0.0466","0.0344","","","0.1128","0.1262","","","","","","0.957","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023672","12.4265","0.0018","16.935","0.003","21.347","0.003","88.445","0.006","86.663","0.006","83.482","0.006","4454.8","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H35 Al2 F54 P -","- C99 H35 Al2 F54 P -","- C198 H70 Al4 F108 P2 -","2","1","","Ménard, Gabriel; Tran, Lina; Stephan, Douglas W.","Activation of H2 using P/Al based frustrated Lewis pairs and reactions with olefins.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13685","13691","10.1039/c3dt51739j","","","0.71073","MoKα","","0.1682","0.0817","","","0.2275","0.2773","","","","","","1.045","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023673","20.901","0.002","13.821","0.0015","15.4388","0.0012","90","","91.843","0.009","90","","4457.5","0.7","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H22 F18 N3 O7 Sm -","- C31 H22 F18 N3 O7 Sm -","- C124 H88 F72 N12 O28 Sm4 -","4","1","","Li, Xi-Li; Chen, Chun-Lai; Xiao, Hong-Ping; Wang, Ai-Ling; Liu, Cai-Ming; Zheng, Xianjun; Gao, Li-Jun; Yang, Xiao-Gang; Fang, Shao-Ming","Luminescent, magnetic and ferroelectric properties of noncentrosymmetric chain-like complexes composed of nine-coordinate lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15317","15325","10.1039/c3dt51743h","","","0.71073","MoKα","","0.0528","0.0513","","","0.1279","0.1284","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023674","20.877","0.003","13.855","0.002","15.4357","0.0017","90","","92.156","0.011","90","","4461.6","1","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H22 Eu F18 N3 O7 -","- C31 H22 Eu F18 N3 O7 -","- C124 H88 Eu4 F72 N12 O28 -","4","1","","Li, Xi-Li; Chen, Chun-Lai; Xiao, Hong-Ping; Wang, Ai-Ling; Liu, Cai-Ming; Zheng, Xianjun; Gao, Li-Jun; Yang, Xiao-Gang; Fang, Shao-Ming","Luminescent, magnetic and ferroelectric properties of noncentrosymmetric chain-like complexes composed of nine-coordinate lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15317","15325","10.1039/c3dt51743h","","","0.71073","MoKα","","0.0554","0.0528","","","0.1344","0.1355","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023675","20.8003","0.0012","13.8884","0.0016","15.2874","0.0014","90","","92.294","0.002","90","","4412.7","0.7","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H22 F18 N3 O7 Tb -","- C31 H22 F18 N3 O7 Tb -","- C124 H88 F72 N12 O28 Tb4 -","4","1","","Li, Xi-Li; Chen, Chun-Lai; Xiao, Hong-Ping; Wang, Ai-Ling; Liu, Cai-Ming; Zheng, Xianjun; Gao, Li-Jun; Yang, Xiao-Gang; Fang, Shao-Ming","Luminescent, magnetic and ferroelectric properties of noncentrosymmetric chain-like complexes composed of nine-coordinate lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15317","15325","10.1039/c3dt51743h","","","0.71073","MoKα","","0.061","0.0581","","","0.1469","0.1479","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023676","20.8323","0.0012","13.9352","0.0019","15.2755","0.0013","90","","92.253","0.003","90","","4431.1","0.8","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C31 H22 Dy F18 N3 O7 -","- C31 H22 Dy F18 N3 O7 -","- C124 H88 Dy4 F72 N12 O28 -","4","1","","Li, Xi-Li; Chen, Chun-Lai; Xiao, Hong-Ping; Wang, Ai-Ling; Liu, Cai-Ming; Zheng, Xianjun; Gao, Li-Jun; Yang, Xiao-Gang; Fang, Shao-Ming","Luminescent, magnetic and ferroelectric properties of noncentrosymmetric chain-like complexes composed of nine-coordinate lanthanide ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15317","15325","10.1039/c3dt51743h","","","0.71073","MoKα","","0.0379","0.0368","","","0.0936","0.0938","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023677","12.572","0.003","18.211","0.005","19.677","0.005","90","","90","","90","","4505","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C23 H25 B F2 N2 S2 -","- C23 H25 B F2 N2 S2 -","- C184 H200 B8 F16 N16 S16 -","8","1","","Saha, Sukdeb; Agarwalla, Hridesh; Gupta, Hariom; Baidya, Mithu; Suresh, E.; Ghosh, Sudip K.; Das, Amitava","New chemodosimetric probe for the specific detection of Hg(2+) in physiological condition and its utilisation for cell imaging studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15097","15105","10.1039/c3dt51744f","","","0.71073","MoKα","","0.1515","0.0974","","","0.1981","0.2235","","","","","","1.106","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023678","9.3249","0.0005","9.4984","0.0004","22.7056","0.0008","90","","90","","90","","2011.07","0.15","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","FeA","rao02","","- C5 H8.62 Cl2 Fe N3 O2.25 -","- C5 H8.61 Cl2 Fe N3 O2.305 -","- C40 H68.88 Cl16 Fe8 N24 O18.44 -","8","2","","Sun, Xiaoqi; Xu, Chao; Tian, Guoxin; Rao, Linfeng","Complexation of glutarimidedioxime with Fe(III), Cu(II), Pb(II), and Ni(II), the competing ions for the sequestration of U(VI) from seawater.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14621","14627","10.1039/c3dt51767e","","","0.71073","MoKα","","0.0605","0.0479","","","0.0971","0.1031","","","","","","0.975","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7023679","14.102","0.004","11.929","0.003","12.857","0.003","90","","91.976","0.003","90","","2161.6","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fe-A-2","rao03","","- C10 H31 Fe N6 O12 -","- C10 H31 Fe N6 O12 -","- C40 H124 Fe4 N24 O48 -","4","1","","Sun, Xiaoqi; Xu, Chao; Tian, Guoxin; Rao, Linfeng","Complexation of glutarimidedioxime with Fe(III), Cu(II), Pb(II), and Ni(II), the competing ions for the sequestration of U(VI) from seawater.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14621","14627","10.1039/c3dt51767e","","","0.71073","MoKα","","0.0265","0.0247","","","0.0653","0.0669","","","","","","1.062","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7023680","13.0874","0.0007","8.3707","0.0004","17.5284","0.0009","90","","108.266","0.003","90","","1823.49","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl2 N3 Zn -","- C18 H15 Cl2 N3 Zn -","- C72 H60 Cl8 N12 Zn4 -","4","1","","Chaudhuri, Satyabrata; Patra, Sarat Chandra; Saha, Pinaki; Saha Roy, Amit; Maity, Suvendu; Bera, Sachinath; Saha Sardar, Pinki; Ghosh, Sanjib; Weyhermüller, Thomas; Ghosh, Prasanta","Zinc(ii), iron(ii/iii) and ruthenium(ii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15028","15042","10.1039/c3dt51771c","","","0.71073","MoKα","","0.0257","0.0219","","","0.0585","0.0608","","","","","","1.017","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023681","13.338","0.002","8.4796","0.0013","17.982","0.003","90","","109.479","0.006","90","","1917.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Br2 N3 Zn -","- C18 H15 Br2 N3 Zn -","- C72 H60 Br8 N12 Zn4 -","4","1","","Chaudhuri, Satyabrata; Patra, Sarat Chandra; Saha, Pinaki; Saha Roy, Amit; Maity, Suvendu; Bera, Sachinath; Saha Sardar, Pinki; Ghosh, Sanjib; Weyhermüller, Thomas; Ghosh, Prasanta","Zinc(ii), iron(ii/iii) and ruthenium(ii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15028","15042","10.1039/c3dt51771c","","","0.71073","MoKα","","0.0386","0.0285","","","0.066","0.0714","","","","","","1.033","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023682","10.2611","0.0005","20.1556","0.0015","17.8531","0.0018","90","","95.066","0.006","90","","3677.9","0.5","100","2","100","2","","","","","","","dichloromethane,hexane","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 Cl2 N3 P Ru -","- C36 H30 Cl2 N3 P Ru -","- C144 H120 Cl8 N12 P4 Ru4 -","4","1","","Chaudhuri, Satyabrata; Patra, Sarat Chandra; Saha, Pinaki; Saha Roy, Amit; Maity, Suvendu; Bera, Sachinath; Saha Sardar, Pinki; Ghosh, Sanjib; Weyhermüller, Thomas; Ghosh, Prasanta","Zinc(ii), iron(ii/iii) and ruthenium(ii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15028","15042","10.1039/c3dt51771c","","","0.71073","MoKα","","0.0639","0.0447","","","0.1004","0.1074","","","","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023683","10.1502","0.0012","17.429","0.003","14.446","0.003","90","","91.454","0.015","90","","2554.8","0.8","100","2","100","2","","","","","","","methanol, thf","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 Cl2 Fe N3 O -","- C25 H20 Cl2 Fe N3 O -","- C100 H80 Cl8 Fe4 N12 O4 -","4","1","","Chaudhuri, Satyabrata; Patra, Sarat Chandra; Saha, Pinaki; Saha Roy, Amit; Maity, Suvendu; Bera, Sachinath; Saha Sardar, Pinki; Ghosh, Sanjib; Weyhermüller, Thomas; Ghosh, Prasanta","Zinc(ii), iron(ii/iii) and ruthenium(ii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15028","15042","10.1039/c3dt51771c","","","0.71073","MoKα","","0.0665","0.044","","","0.1041","0.1121","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023684","26.0925","0.0012","14.8744","0.001","13.09","0.0007","90","","90","","90","","5080.4","0.5","100","2","100","2","","","","","","","dichloromethane, n-hexane","7","P n m a","-P 2ac 2n","62","","","","- C61 H48 F6 N3 O P3 Ru -","- C61 H48 F6 N3 O P3 Ru -","- C244 H192 F24 N12 O4 P12 Ru4 -","4","0.5","","Chaudhuri, Satyabrata; Patra, Sarat Chandra; Saha, Pinaki; Saha Roy, Amit; Maity, Suvendu; Bera, Sachinath; Saha Sardar, Pinki; Ghosh, Sanjib; Weyhermüller, Thomas; Ghosh, Prasanta","Zinc(ii), iron(ii/iii) and ruthenium(ii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15028","15042","10.1039/c3dt51771c","","","0.71073","MoKα","","0.0413","0.0285","","","0.0649","0.0701","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023685","9.491","0.003","15.518","0.005","22.24","0.005","73.068","0.011","87.907","0.012","88.39","0.012","3130.9","1.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 F18 N2 O7 Tb -","- C24 H16 F18 N2 O7 Tb -","- C96 H64 F72 N8 O28 Tb4 -","4","2","","Murakami, Rina; Ishida, Takayuki; Yoshii, Shunsuke; Nojiri, Hiroyuki","Single-molecule magnet [Tb(hfac)3(2pyNO)] (2pyNO = t-butyl 2-pyridyl nitroxide) with a relatively high barrier of magnetization reversal.","Dalton transactions (Cambridge, England : 2003)","2013","42","38","13968","13973","10.1039/c3dt51784e","","","0.71073","MoKα","","","0.048","","","","0.0962","","","","","","1.024","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023686","37.4589","0.001","11.2206","0.0003","21.1473","0.0008","90","","93.228","0.001","90","","8874.3","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H51 Cl2 N9 O11 Zn -","- C37 H51 Cl2 N9 O11 Zn -","- C296 H408 Cl16 N72 O88 Zn8 -","8","1","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14826","14835","10.1039/c3dt51791h","","","0.71073","MoKα","","0.1763","0.0779","","","0.1841","0.2272","","","","","","1.012","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023687","16.2935","0.0005","16.2935","0.0005","28.842","0.0013","90","","90","","120","","6631.1","0.4","150","2","150","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C66 H94 Cd2 Cl6 N14 Na2 O32 -","- C66 H90 Cd2 Cl6 N14 Na2 O31.98 -","- C198 H270 Cd6 Cl18 N42 Na6 O95.94 -","3","0.166667","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14826","14835","10.1039/c3dt51791h","","","0.71073","MoKα","","0.1103","0.1023","","","0.2514","0.2578","","","","","","1.129","","","","has coordinates,has disorder","291143","2024-04-09","08:48:23",""
"7023688","10.816","0.0002","40.862","0.0008","11.162","0.0002","90","","116.955","0.001","90","","4397.27","0.15","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C36 H49.5 Br Cl Mn N8.5 O7 -","- C36 H49.5 Br Cl Mn N8.5 O7 -","- C144 H198 Br4 Cl4 Mn4 N34 O28 -","4","1","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14826","14835","10.1039/c3dt51791h","","","0.71073","MoKα","","0.0961","0.0619","","","0.1478","0.163","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023689","10.73","0.005","40.995","0.005","11.101","0.005","90","","117.05","0.005","90","","4349","3","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C35 H48 Br Cl Fe N8 O7 -","- C34.99 H47.97 Br Cl Fe N7.995 O7 -","- C139.96 H191.88 Br4 Cl4 Fe4 N31.98 O28 -","4","1","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14826","14835","10.1039/c3dt51791h","","","0.71073","MoKα","","0.0983","0.0689","","","0.1626","0.176","","","","","","1.076","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023690","35.499","0.0004","9.125","0.0007","24.57","0.0012","90","","119.271","0.002","90","","6942.7","0.7","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H45 Cl2 N7 O3 Zn -","- C33 H45 Cl2 N7 O3 Zn -","- C264 H360 Cl16 N56 O24 Zn8 -","8","1","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14826","14835","10.1039/c3dt51791h","","","0.71073","MoKα","","0.1143","0.0765","","","0.1891","0.2081","","","","","","1.086","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023691","11.219","0.0002","11.219","0.0002","38.592","0.0004","90","","90","","120","","4206.65","0.11","150","2","150","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C66 H90 I6 N14 O6 Zn3 -","- C66 H90 I6 N14 O6 Zn3 -","- C132 H180 I12 N28 O12 Zn6 -","2","0.166667","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14826","14835","10.1039/c3dt51791h","","","0.71073","MoKα","","0.0556","0.0456","","","0.1154","0.1231","","","","","","1.11","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023692","11.1532","0.0003","19.6165","0.0005","37.6128","0.0012","90","","90.693","0.001","90","","8228.6","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H52 Br2 Co N9 O3.5 -","- C37 H51 Br2 Co N9 O3.5 -","- C296 H408 Br16 Co8 N72 O28 -","8","1","","Saad, Fawaz A.; Knight, James C.; Kariuki, Benson M.; Amoroso, Angelo J.","Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14826","14835","10.1039/c3dt51791h","","","0.71073","MoKα","","0.0592","0.0425","","","0.0883","0.0954","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023693","7.5238","0.0017","11.9246","0.0017","12.347","0.003","90","","105.869","0.003","90","","1065.5","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 Cl4 Mo O2 -","- C4 H12 Cl4 Mo O2 -","- C16 H48 Cl16 Mo4 O8 -","4","0.5","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactivity of molybdenum pentachloride with ethers: routes to the synthesis of Mo(IV)Cl4 adducts, Mo(v) chlorido-alkoxides and Mo(v) oxydo-chlorides.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15226","15234","10.1039/c3dt51797g","","","0.71073","MoKα","","0.0636","0.0624","","","0.1596","0.1604","","","","","","1.047","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023694","9.39","0.003","11.42","0.003","12.617","0.004","90","","90","","90","","1353","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C3 H10 Cl4 Mo2 O5 -","- C3 H10 Cl4 Mo2 O5 -","- C12 H40 Cl16 Mo8 O20 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactivity of molybdenum pentachloride with ethers: routes to the synthesis of Mo(IV)Cl4 adducts, Mo(v) chlorido-alkoxides and Mo(v) oxydo-chlorides.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15226","15234","10.1039/c3dt51797g","","","0.71073","MoKα","","0.0255","0.0252","","","0.064","0.0641","","","","","","1.117","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023695","13.933","0.004","5.5881","0.0016","11.777","0.003","90","","109.954","0.003","90","","861.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 Cl3 Mo O3 -","- C2 H8 Cl3 Mo O3 -","- C8 H32 Cl12 Mo4 O12 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactivity of molybdenum pentachloride with ethers: routes to the synthesis of Mo(IV)Cl4 adducts, Mo(v) chlorido-alkoxides and Mo(v) oxydo-chlorides.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15226","15234","10.1039/c3dt51797g","","","0.71073","MoKα","","0.025","0.023","","","0.0559","0.0568","","","","","","1.135","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023696","11.1285","0.0008","8.9787","0.0007","11.7001","0.0009","90","","90","","90","","1169.07","0.15","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H12 Cl4 Mo O2 -","- C5 H12 Cl4 Mo O2 -","- C20 H48 Cl16 Mo4 O8 -","4","0.5","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactivity of molybdenum pentachloride with ethers: routes to the synthesis of Mo(IV)Cl4 adducts, Mo(v) chlorido-alkoxides and Mo(v) oxydo-chlorides.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15226","15234","10.1039/c3dt51797g","","","0.71073","MoKα","","0.1023","0.0954","","","0.2021","0.2055","","","","","","1.186","","","","has coordinates,has disorder","179941","2020-10-21","18:00:00",""
"7023697","13.339","0.002","6.5492","0.0012","12.36","0.002","90","","90","","90","","1079.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H9 Cl4 Mo O3 -","- C4 H9 Cl4 Mo O3 -","- C16 H36 Cl16 Mo4 O12 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactivity of molybdenum pentachloride with ethers: routes to the synthesis of Mo(IV)Cl4 adducts, Mo(v) chlorido-alkoxides and Mo(v) oxydo-chlorides.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15226","15234","10.1039/c3dt51797g","","","0.71073","MoKα","","0.0237","0.0235","","","0.0564","0.0565","","","","","","1.086","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023698","9.422","0.005","18.361","0.009","9.331","0.004","90","","112.62","0.03","90","","1490.1","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br2 Co N2 O0 -","- C14 H12 Br2 Co N2 -","- C56 H48 Br8 Co4 N8 -","4","1","","Huang, Wei; Liu, Tao; Wu, Dayu; Cheng, Jiajun; Ouyang, Z. W.; Duan, Chunying","Field-induced slow relaxation of magnetization in a tetrahedral Co(ii) complex with easy plane anisotropy.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15326","15331","10.1039/c3dt51801a","","","0.71073","MoKα","","0.1852","0.0868","","","0.1309","0.1504","","","","","","0.985","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023699","12.6449","0.0013","22.61","0.002","15.8432","0.0015","90","","96.468","0.002","90","","4500.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H67 N3 Si2 Zn -","- C47 H67 N3 Si2 Zn -","- C188 H268 N12 Si8 Zn4 -","4","1","","Sen, Tamal K.; Sau, Samaresh Chandra; Mukherjee, Arup; Hota, Pradip Kumar; Mandal, Swadhin K.; Maity, Bholanath; Koley, Debasis","Abnormal N-heterocyclic carbene main group organometallic chemistry: a debut to the homogeneous catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14253","14260","10.1039/c3dt51802g","","","0.71073","MoKα","","0.0601","0.0373","","","0.0818","0.0917","","","","","","1.014","","","","has coordinates","179941","2020-10-21","18:00:00",""
"7023700","9.871","0.002","10.967","0.002","18.786","0.004","77.611","0.004","76.658","0.004","75.05","0.004","1885.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H53 Al N2 -","- C42 H53 Al N2 -","- C84 H106 Al2 N4 -","2","1","","Sen, Tamal K.; Sau, Samaresh Chandra; Mukherjee, Arup; Hota, Pradip Kumar; Mandal, Swadhin K.; Maity, Bholanath; Koley, Debasis","Abnormal N-heterocyclic carbene main group organometallic chemistry: a debut to the homogeneous catalysis.","Dalton transactions (Cambridge, England : 2003)","2013","42","39","14253","14260","10.1039/c3dt51802g","","","0.71073","MoKα","","0.069","0.0411","","","0.0884","0.1059","","","","","","1.02","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023701","10.4065","0.0004","7.4143","0.0003","15.1516","0.0005","90","","90","","90","","1169.05","0.08","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C2 H16 F6 Fe2 N O4 -","- C2 H16 F6 Fe2 N O4 -","- C8 H64 F24 Fe8 N4 O16 -","4","0.25","","Smida, Mouna; Lhoste, Jérôme; Pimenta, Vanessa; Hémon-Ribaud, Annie; Jouffret, Laurent; Leblanc, Marc; Dammak, Mohamed; Grenèche, Jean-Marc; Maisonneuve, Vincent","New series of hybrid fluoroferrates synthesized with triazoles: various dimensionalities and Mössbauer studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15748","15755","10.1039/c3dt51812d","","","0.71073","MoKα","","0.0428","0.0277","","","0.1123","0.1465","","","","","","1.447","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023702","10.4281","0.0005","7.4326","0.0004","15.3291","0.0008","90","","90","","90","","1188.13","0.11","296","2","296","2","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C4 H32 F12 Fe4 N2 O9 -","- C4 H32 F12 Fe4 N2 O9 -","- C8 H64 F24 Fe8 N4 O18 -","2","0.125","","Smida, Mouna; Lhoste, Jérôme; Pimenta, Vanessa; Hémon-Ribaud, Annie; Jouffret, Laurent; Leblanc, Marc; Dammak, Mohamed; Grenèche, Jean-Marc; Maisonneuve, Vincent","New series of hybrid fluoroferrates synthesized with triazoles: various dimensionalities and Mössbauer studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15748","15755","10.1039/c3dt51812d","","","0.71073","MoKα","","0.0529","0.0433","","","0.1256","0.1329","","","","","","1.29","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023703","9.1552","0.0003","7.4896","0.0002","9.4644","0.0003","90","","90","","90","","648.96","0.03","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C2 H3 F5 Fe2 N3 -","- C2 H3 F5 Fe2 N3 -","- C8 H12 F20 Fe8 N12 -","4","0.25","","Smida, Mouna; Lhoste, Jérôme; Pimenta, Vanessa; Hémon-Ribaud, Annie; Jouffret, Laurent; Leblanc, Marc; Dammak, Mohamed; Grenèche, Jean-Marc; Maisonneuve, Vincent","New series of hybrid fluoroferrates synthesized with triazoles: various dimensionalities and Mössbauer studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15748","15755","10.1039/c3dt51812d","powder diffraction","","1.5418","CuKα","","","","","","","","","3.0467","","","","","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023704","8.8392","0.0005","9.1948","0.0005","9.5877","0.0005","82.07","0.003","63.699","0.003","89.202","0.003","690.91","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H13 F5 Fe2 N7 O -","- C6 H13 F5 Fe2 N7 O -","- C12 H26 F10 Fe4 N14 O2 -","2","1","","Smida, Mouna; Lhoste, Jérôme; Pimenta, Vanessa; Hémon-Ribaud, Annie; Jouffret, Laurent; Leblanc, Marc; Dammak, Mohamed; Grenèche, Jean-Marc; Maisonneuve, Vincent","New series of hybrid fluoroferrates synthesized with triazoles: various dimensionalities and Mössbauer studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15748","15755","10.1039/c3dt51812d","","","0.71073","MoKα","","0.0431","0.0311","","","0.0875","0.1151","","","","","","1.194","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023705","17.1968","0.0008","8.9793","0.0005","8.5318","0.0005","90","","90","","90","","1317.44","0.12","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H12 F5 Fe2 N7 -","- C6 H12 F5 Fe2 N7 -","- C24 H48 F20 Fe8 N28 -","4","0.5","","Smida, Mouna; Lhoste, Jérôme; Pimenta, Vanessa; Hémon-Ribaud, Annie; Jouffret, Laurent; Leblanc, Marc; Dammak, Mohamed; Grenèche, Jean-Marc; Maisonneuve, Vincent","New series of hybrid fluoroferrates synthesized with triazoles: various dimensionalities and Mössbauer studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15748","15755","10.1039/c3dt51812d","","","0.71073","MoKα","","0.0876","0.0486","","","0.1098","0.1254","","","","","","1.058","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023706","10.4538","0.0006","10.1708","0.0006","11.0501","0.0007","90","","105.582","0.004","90","","1131.7","0.12","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 Br2 N4 -","- C20 H32 Br2 N4 -","- C40 H64 Br4 N8 -","2","0.5","","Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt","Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16128","16141","10.1039/c3dt51813b","","","1.54178","CuKα","","0.0355","0.034","","","0.0897","0.0907","","","","","","1.085","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023707","5.9373","0.0007","21.744","0.002","17.7002","0.0019","90","","94.467","0.002","90","","2278.2","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Br2 N4 -","- C20 H32 Br2 N4 -","- C80 H128 Br8 N16 -","4","1","","Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt","Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16128","16141","10.1039/c3dt51813b","","","0.71073","MoKα","","0.0646","0.0369","","","0.0785","0.0875","","","","","","1.01","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023708","11.0896","0.0005","14.1543","0.0007","17.3476","0.0007","90","","101.306","0.003","90","","2670.1","0.2","153","1","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 Br2 N4 -","- C24 H40 Br2 N4 -","- C96 H160 Br8 N16 -","4","1","","Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt","Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16128","16141","10.1039/c3dt51813b","","","1.54178","CuKα","","0.0828","0.0631","","","0.1672","0.1847","","","","","","1.033","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023709","9.8875","0.0005","39.2195","0.0019","21.262","0.001","90","","99.006","0.001","90","","8143.4","0.7","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C75 H85 Br4 Cl6 N4 O0.5 P4 Pt2 -","- C75 H84 Br4 Cl6 N4 O0.5 P4 Pt2 -","- C300 H336 Br16 Cl24 N16 O2 P16 Pt8 -","4","1","","Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt","Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16128","16141","10.1039/c3dt51813b","","","0.71073","MoKα","","0.0867","0.0625","","","0.1707","0.1834","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023710","10.2551","0.0006","12.2648","0.0007","20.1873","0.0012","77.495","0.001","81.365","0.001","86.374","0.001","2449.5","0.2","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H69 Br4 N4 O2 P4 Pt2 -","- C33 H58 Br4 N4 O2 P4 Pt2 -","- C66 H116 Br8 N8 O4 P8 Pt4 -","2","1","","Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt","Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16128","16141","10.1039/c3dt51813b","","","0.71073","MoKα","","0.0558","0.0401","","","0.0998","0.1065","","","","","","1.031","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023711","12.9311","0.0015","10.7309","0.0013","20.245","0.002","90","","98.749","0.002","90","","2776.6","0.5","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H88 Br4 N4 O7 P4 Pt2 -","- C38 H80 Br4 N4 O7 P4 Pt2 -","- C76 H160 Br8 N8 O14 P8 Pt4 -","2","0.5","","Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt","Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16128","16141","10.1039/c3dt51813b","","","0.71073","MoKα","","0.0687","0.0483","","","0.125","0.1358","","","","","","1.032","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023712","16.8861","0.0012","11.9102","0.0009","14.9781","0.0011","90","","101.431","0.001","90","","2952.6","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H70 Br4 Cl8 N4 P4 Pt2 -","- C36 H70 Br4 Cl8 N4 P4 Pt2 -","- C72 H140 Br8 Cl16 N8 P8 Pt4 -","2","0.5","","Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt","Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16128","16141","10.1039/c3dt51813b","","","0.71073","MoKα","","0.06","0.0399","","","0.1021","0.1106","","","","","","1.106","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023713","11.4288","0.0008","10.7546","0.0007","24.7631","0.0017","90","","99.295","0.001","90","","3003.7","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H86 Br4 N4 O4 P4 Pt2 -","- C40 H36 Br4 N4 O4 P4 Pt2 -","- C80 H72 Br8 N8 O8 P8 Pt4 -","2","0.5","","Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt","Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16128","16141","10.1039/c3dt51813b","","","0.71073","MoKα","","0.0535","0.0394","","","0.1022","0.1087","","","","","","1.049","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023714","11.4812","0.0005","10.8653","0.0005","21.0825","0.001","90","","93.967","0.001","90","","2623.7","0.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H74 Br4 N4 O P4 Pt2 -","- C37 H74 Br4 N4 O P4 Pt2 -","- C74 H148 Br8 N8 O2 P8 Pt4 -","2","0.5","","Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt","Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16128","16141","10.1039/c3dt51813b","","","0.71073","MoKα","","0.047","0.0358","","","0.0878","0.0927","","","","","","1.05","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023715","11.6793","0.0007","11.7676","0.0007","12.7644","0.0007","95.777","0.001","96.015","0.001","113.034","0.001","1586.2","0.16","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H74 F24 N8 P8 Pt2 -","- C40 H74 F24 N8 P8 Pt2 -","- C40 H74 F24 N8 P8 Pt2 -","1","0.5","","Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt","Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16128","16141","10.1039/c3dt51813b","","","0.71073","MoKα","","0.0338","0.0286","","","0.0694","0.0717","","","","","","1.043","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023716","29.1083","0.0011","10.4","0.0004","24.5042","0.0009","90","","102.217","0.001","90","","7250.1","0.5","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H78 F24 N8 P8 Pt2 -","- C52 H78 F24 N8 P8 Pt2 -","- C208 H312 F96 N32 P32 Pt8 -","4","0.5","","Schmidtendorf, Markus; Pape, Tania; Hahn, F. Ekkehardt","Molecular rectangles from platinum(ii) and bridging dicarbene, diisocyanide and 4,4'-bipyridine ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","45","16128","16141","10.1039/c3dt51813b","","","0.71073","MoKα","","0.044","0.033","","","0.0845","0.0895","","","","","","1.065","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023717","7.2506","0.0019","4.5319","0.0012","9.051","0.002","90","","103.315","0.003","90","","289.41","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium guanidinate","","- C H4 Li N3 -","- C H4 Li N3 -","- C4 H16 Li4 N12 -","4","1","","Sawinski, Peter Klaus; Deringer, Volker L.; Dronskowski, Richard","Completing a family: LiCN3H4, the lightest alkali metal guanidinate.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15080","15087","10.1039/c3dt51820e","","","0.71073","MoKα","","0.0387","0.0347","","","0.0842","0.0884","","","","","","1.098","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023718","6.9793","0.0005","6.9793","","6.4743","0.0007","90","","90","","120","","273.12","0.04","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Bi H1.34 O4.67 P -","- Bi H1.34 O4.67 P -","- Bi3 H4.02 O14.01 P3 -","3","0.5","","Achary, S. N.; Errandonea, D.; Muñoz, A; Rodríguez-Hernández, P; Manjón, F J; Krishna, P. S. R.; Patwe, S. J.; Grover, V.; Tyagi, A. K.","Experimental and theoretical investigations on the polymorphism and metastability of BiPO4.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14999","15015","10.1039/c3dt51823j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023719","6.7561","0.0004","6.9408","0.0004","6.47637","0.00033","90","","103.695","0.005","90","","295.06","0.03","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Bi O4 P -","- Bi O4 P -","- Bi4 O16 P4 -","4","1","","Achary, S. N.; Errandonea, D.; Muñoz, A; Rodríguez-Hernández, P; Manjón, F J; Krishna, P. S. R.; Patwe, S. J.; Grover, V.; Tyagi, A. K.","Experimental and theoretical investigations on the polymorphism and metastability of BiPO4.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14999","15015","10.1039/c3dt51823j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023720","4.88074","0.00021","7.06743","0.0003","4.70228","0.0002","90","","96.303","0.004","90","","161.221","0.012","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Bi O4 P -","- Bi O4 P -","- Bi2 O8 P2 -","2","0.5","","Achary, S. N.; Errandonea, D.; Muñoz, A; Rodríguez-Hernández, P; Manjón, F J; Krishna, P. S. R.; Patwe, S. J.; Grover, V.; Tyagi, A. K.","Experimental and theoretical investigations on the polymorphism and metastability of BiPO4.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14999","15015","10.1039/c3dt51823j","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023721","14.5722","0.0001","16.086","0.009","17.4521","0.0003","63.58","0.012","65.749","0.013","67.815","0.013","3243.9","1.9","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H112 Ag10 Ce2 I22 N16 O16 Pb3 -","- C48 H112 Ag10 Ce2 I22 N16 O16 Pb3 -","- C48 H112 Ag10 Ce2 I22 N16 O16 Pb3 -","1","0.5","","Fang, Wang; Tang, Chunying; Chen, Ruihong; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Polymeric heterometallic Pb-Ag iodometallates, iodoplumbates and iodoargentates with lanthanide complex cations as templates.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15150","15158","10.1039/c3dt51829a","","","0.71073","MoKα","","0.055","0.0398","","","0.1258","0.1534","","","","","","1.109","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023722","14.4741","0.0002","16.1113","0.0002","17.516","0.0003","63.475","0.008","65.854","0.008","67.779","0.009","3237.9","0.3","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H112 Ag10 I22 N16 O16 Pb3 Pr2 -","- C48 H106 Ag10 I22 N16 O16 Pb3 Pr2 -","- C48 H106 Ag10 I22 N16 O16 Pb3 Pr2 -","1","0.5","","Fang, Wang; Tang, Chunying; Chen, Ruihong; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Polymeric heterometallic Pb-Ag iodometallates, iodoplumbates and iodoargentates with lanthanide complex cations as templates.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15150","15158","10.1039/c3dt51829a","","","0.71073","MoKα","","0.0649","0.0402","","","0.1448","0.1794","","","","","","1.121","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023723","15.6","0.003","23.524","0.005","29.835","0.006","101.15","0.03","95.53","0.03","107.76","0.03","10088","4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H182 I31 N26 O26 Pb11 Pr3 -","- C78 H163 I31 N26 O26 Pb11 Pr3 -","- C156 H326 I62 N52 O52 Pb22 Pr6 -","2","1","","Fang, Wang; Tang, Chunying; Chen, Ruihong; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Polymeric heterometallic Pb-Ag iodometallates, iodoplumbates and iodoargentates with lanthanide complex cations as templates.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15150","15158","10.1039/c3dt51829a","","","0.71073","MoKα","","0.0566","0.0409","","","0.1145","0.1302","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023724","20.821","0.004","18.506","0.003","16.884","0.004","90","","114.288","0.004","90","","5930","2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Ag6 Ce I9 N8 O8 -","- C24 H42 Ag6 Ce I9 N8 O8 -","- C96 H168 Ag24 Ce4 I36 N32 O32 -","4","0.5","","Fang, Wang; Tang, Chunying; Chen, Ruihong; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Polymeric heterometallic Pb-Ag iodometallates, iodoplumbates and iodoargentates with lanthanide complex cations as templates.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15150","15158","10.1039/c3dt51829a","","","0.71073","MoKα","","0.0675","0.0421","","","0.1439","0.1604","","","","","","1.089","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023725","20.749","0.005","18.507","0.004","16.864","0.004","90","","114.411","0.006","90","","5897","2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Ag6 I9 N8 O8 Pr -","- C24 H42 Ag6 I9 N8 O8 Pr -","- C96 H168 Ag24 I36 N32 O32 Pr4 -","4","0.5","","Fang, Wang; Tang, Chunying; Chen, Ruihong; Jia, Dingxian; Jiang, Wenqing; Zhang, Yong","Polymeric heterometallic Pb-Ag iodometallates, iodoplumbates and iodoargentates with lanthanide complex cations as templates.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15150","15158","10.1039/c3dt51829a","","","0.71075","MoKα","","0.0605","0.0573","","","0.1534","0.1607","","","","","","1.119","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023726","14.3775","0.0006","14.6934","0.0005","14.0989","0.0006","90","","97.256","0.002","90","","2954.6","0.2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","JBWW01_B","","","- C26 H32 B Cl Co F2 N7 O4 -","- C26 H32 B Cl Co F2 N7 O4 -","- C104 H128 B4 Cl4 Co4 F8 N28 O16 -","4","1","","Bartelmess, Juergen; Weare, Walter W.; Sommer, Roger D.","Synthesis, characterization and structural investigation of novel meso-pyridyl BODIPY-cobaloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14883","14891","10.1039/c3dt51849c","","","0.71073","MoKα","","0.0508","0.0337","","","0.0789","0.0861","","","","","","1.022","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023727","16.6111","0.0005","13.0356","0.0004","27.7368","0.001","90","","90.834","0.002","90","","6005.4","0.3","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","JBWW02_B","","","- C27 H34 B Cl Co F2 N7 O4 -","- C27 H34 B Cl Co F2 N7 O4 -","- C216 H272 B8 Cl8 Co8 F16 N56 O32 -","8","2","","Bartelmess, Juergen; Weare, Walter W.; Sommer, Roger D.","Synthesis, characterization and structural investigation of novel meso-pyridyl BODIPY-cobaloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14883","14891","10.1039/c3dt51849c","","","0.71073","MoKα","","0.0654","0.0574","","","0.122","0.1252","","","","","","1.227","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023728","9.8118","0.0003","15.3669","0.0004","22.9114","0.0005","90","","90","","90","","3454.51","0.16","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","JBW03","","","- C27 H33 B Cl4 Co F2 N7 O4 -","- C27 H33 B Cl4 Co F2 N7 O4 -","- C108 H132 B4 Cl16 Co4 F8 N28 O16 -","4","1","","Bartelmess, Juergen; Weare, Walter W.; Sommer, Roger D.","Synthesis, characterization and structural investigation of novel meso-pyridyl BODIPY-cobaloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14883","14891","10.1039/c3dt51849c","","","0.71073","MoKα","","0.0727","0.058","","","0.1641","0.1732","","","","","","1.042","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023729","10.6796","0.0004","15.1701","0.0006","22.0725","0.0008","90","","90","","90","","3576","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","JBWW04","","","- C27 H32 B Cl5 Co F2 N7 O4 -","- C27 H32 B Cl5 Co F2 N7 O4 -","- C108 H128 B4 Cl20 Co4 F8 N28 O16 -","4","1","","Bartelmess, Juergen; Weare, Walter W.; Sommer, Roger D.","Synthesis, characterization and structural investigation of novel meso-pyridyl BODIPY-cobaloxime complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14883","14891","10.1039/c3dt51849c","","","0.71073","MoKα","","0.1002","0.0838","","","0.223","0.2332","","","","","","1.057","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023730","9.767","0.002","13.621","0.003","15.317","0.003","90","","101.51","0.03","90","","1996.7","0.7","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 B N O S -","- C25 H18 B N O S -","- C100 H72 B4 N4 O4 S4 -","4","1","","Kiprof, Paul; Carlson, Jeffrey C.; Anderson, Derrick R.; Nemykin, Victor N.","Systematic color tuning of a family of luminescent azole-based organoboron compounds suitable for OLED applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15120","15132","10.1039/c3dt51853a","","","0.71073","MoKα","","0.0823","0.0577","","0.1904","0.1478","0.1904","","","","","","0.9973","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023731","10.551","0.002","12.434","0.003","17.889","0.004","90","","104.88","0.03","90","","2268.2","0.9","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 B N O2 -","- C25 H18 B N O2 -","- C100 H72 B4 N4 O8 -","4","1","","Kiprof, Paul; Carlson, Jeffrey C.; Anderson, Derrick R.; Nemykin, Victor N.","Systematic color tuning of a family of luminescent azole-based organoboron compounds suitable for OLED applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15120","15132","10.1039/c3dt51853a","","","0.71073","MoKα","","0.1838","0.0618","","0.2473","0.1497","0.2473","","","","","","1.0689","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023732","30.418","0.006","9.127","0.0018","15.996","0.003","90","","90","","90","","4440.9","1.5","298","","298","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C29 H20 B N O S -","- C29 H20 B N O S -","- C232 H160 B8 N8 O8 S8 -","8","1","","Kiprof, Paul; Carlson, Jeffrey C.; Anderson, Derrick R.; Nemykin, Victor N.","Systematic color tuning of a family of luminescent azole-based organoboron compounds suitable for OLED applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15120","15132","10.1039/c3dt51853a","","","0.71073","MoKα","","0.1608","0.048","","0.14","0.0749","0.14","","","","","","1.1252","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023733","8.939","0.0018","10.462","0.002","12.493","0.003","99.64","0.03","97.01","0.03","106.24","0.03","1088.1","0.5","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H20 B N O2 -","- C29 H20 B N O2 -","- C58 H40 B2 N2 O4 -","2","1","","Kiprof, Paul; Carlson, Jeffrey C.; Anderson, Derrick R.; Nemykin, Victor N.","Systematic color tuning of a family of luminescent azole-based organoboron compounds suitable for OLED applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15120","15132","10.1039/c3dt51853a","","","0.71073","MoKα","","0.0754","0.0469","","0.1234","0.1026","0.1233","","","","","","1.0068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023734","12.122","0.002","16.401","0.003","21.944","0.004","90","","90","","90","","4362.8","1.3","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H20 B N O2 -","- C29 H20 B N O2 -","- C232 H160 B8 N8 O16 -","8","1","","Kiprof, Paul; Carlson, Jeffrey C.; Anderson, Derrick R.; Nemykin, Victor N.","Systematic color tuning of a family of luminescent azole-based organoboron compounds suitable for OLED applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15120","15132","10.1039/c3dt51853a","","","0.71073","MoKα","","0.2391","0.0638","","0.1645","0.084","0.1645","","","","","","1.0927","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023735","8.195","0.0016","19.533","0.004","17.981","0.004","90","","92.27","0.03","90","","2876","1","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H20 B N O S -","- C29 H20 B N O S -","- C116 H80 B4 N4 O4 S4 -","4","1","","Kiprof, Paul; Carlson, Jeffrey C.; Anderson, Derrick R.; Nemykin, Victor N.","Systematic color tuning of a family of luminescent azole-based organoboron compounds suitable for OLED applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15120","15132","10.1039/c3dt51853a","","","0.71073","MoKα","","0.1236","0.0497","","0.1964","0.1243","0.1964","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023736","24.942","0.003","10.581","0.001","31.085","0.003","90","","90.418","0.002","90","","8203.5","1.5","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tris(N-(2,6-dimethylphenyl)benzamidate) mono(dimethylamido) titanium, 1","","","- C47 H48 N4 O3 Ti -","- C47 H48 N4 O3 Ti -","- C376 H384 N32 O24 Ti8 -","8","1","","Payne, Philippa R.; Thomson, Robert K.; Medeiros, Diane M.; Wan, Geoff; Schafer, Laurel L.","Synthesis, structure, and reactivity of tris(amidate) mono(amido) and tetrakis(amidate) complexes of group 4 transition metals.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15670","15677","10.1039/c3dt51868j","","x-ray","0.71073","MoKα","","0.0685","0.0502","","","0.1087","0.1164","","","","","","1.077","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023737","11.008","0.0007","11.008","0.001","21.318","0.002","90","0","90","0","90","0","2583.2","0.4","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","tetrakis(amidate) hafnium, 6","","","- C60 H56 Hf N4 O4 -","- C60 H56 Hf N4 O4 -","- C120 H112 Hf2 N8 O8 -","2","0.25","","Payne, Philippa R.; Thomson, Robert K.; Medeiros, Diane M.; Wan, Geoff; Schafer, Laurel L.","Synthesis, structure, and reactivity of tris(amidate) mono(amido) and tetrakis(amidate) complexes of group 4 transition metals.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15670","15677","10.1039/c3dt51868j","","x-ray","0.71073","MoKα","","0.0489","0.0297","","","0.0727","0.0824","","","","","","1.029","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023738","11.9659","0.0008","12.552","0.0008","23.178","0.002","87.864","0.002","84.741","0.002","67.35","0.003","3199.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","tris(N-(2,6-dimethylphenyl)naphthylamidate) mono(dimethylamido) zirconium, 4","","","- C71 H78 N4 O3 Zr -","- C71 H78 N4 O3 Zr -","- C142 H156 N8 O6 Zr2 -","2","1","","Payne, Philippa R.; Thomson, Robert K.; Medeiros, Diane M.; Wan, Geoff; Schafer, Laurel L.","Synthesis, structure, and reactivity of tris(amidate) mono(amido) and tetrakis(amidate) complexes of group 4 transition metals.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15670","15677","10.1039/c3dt51868j","","x-ray","0.71073","MoKα","","0.0894","0.0477","","","0.0853","0.0943","","","","","","0.918","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023739","11.901","0.002","11.908","0.002","18.641","0.003","82.608","0.011","82.392","0.012","80.628","0.011","2568","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Tetrakis(amidate) zirconium, 5","","","- C52 H72 N4 O4 Zr -","- C52 H72 N4 O4 Zr -","- C104 H144 N8 O8 Zr2 -","2","1","","Payne, Philippa R.; Thomson, Robert K.; Medeiros, Diane M.; Wan, Geoff; Schafer, Laurel L.","Synthesis, structure, and reactivity of tris(amidate) mono(amido) and tetrakis(amidate) complexes of group 4 transition metals.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15670","15677","10.1039/c3dt51868j","","x-ray","0.71073","MoKα","","0.0447","0.0355","","","0.1032","0.1072","","","","","","1.096","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023740","13.661","0.005","15.314","0.005","18.604","0.005","69.509","0.005","74.711","0.005","70.85","0.005","3395","1.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","tris(N-(2,6-diisopropylphenyl)benzamidate) mono(anilido) zirconium, 7","","","- C70 H80 N4 O3 Zr -","- C70 H80 N4 O3 Zr -","- C140 H160 N8 O6 Zr2 -","2","1","","Payne, Philippa R.; Thomson, Robert K.; Medeiros, Diane M.; Wan, Geoff; Schafer, Laurel L.","Synthesis, structure, and reactivity of tris(amidate) mono(amido) and tetrakis(amidate) complexes of group 4 transition metals.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15670","15677","10.1039/c3dt51868j","","x-ray","0.71073","MoKα","","0.0641","0.044","","","0.1081","0.1147","","","","","","1.012","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023741","21.368","0.006","17.042","0.004","12.503","0.002","90","","90","","90","","4553","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","aqua-1,4,7,10,13,16-hexaoxacyclooctadecane-tin(II) bis(tetrafluoroborate) hydrate","","- C12 H30 B2 F8 O9 Sn -","- C12 H24 B2 F8 O9 Sn -","- C96 H192 B16 F64 O72 Sn8 -","8","1","","Beattie, Christopher; Farina, Paolo; Levason, William; Reid, Gillian","Oxa-thia-, oxa-selena and crown ether macrocyclic complexes of tin(ii) tetrafluoroborate and hexafluorophosphate - synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15183","15190","10.1039/c3dt51889b","","","0.71073","MoKα","","0.1527","0.0828","","","0.1916","0.2267","","","","","","1.028","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7023742","14.116","0.002","15.118","0.002","16.137","0.006","90","","90.793","0.006","90","","3443.4","1.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","bis(1,4,7,10,13-pentaoxacyclopentadecane)tin(II) tris(tetrafluoroborate) oxonium hydrate","","- C20 H45 B3 F12 O12 Sn -","- C20 H40 B3 F12 O12 Sn -","- C80 H160 B12 F48 O48 Sn4 -","4","1","","Beattie, Christopher; Farina, Paolo; Levason, William; Reid, Gillian","Oxa-thia-, oxa-selena and crown ether macrocyclic complexes of tin(ii) tetrafluoroborate and hexafluorophosphate - synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15183","15190","10.1039/c3dt51889b","","","0.71073","MoKα","","0.0911","0.0727","","","0.1868","0.2033","","","","","","1.042","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7023743","8.4182","0.0015","15.129","0.004","19.264","0.007","90","","100.326","0.007","90","","2413.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Ethane-1,2-diol(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)Sn(II) bis(tetrafluoroborate)","","- C14 H30 B2 F8 O6 S2 Sn -","- C14 H30 B2 F8 O6 S2 Sn -","- C56 H120 B8 F32 O24 S8 Sn4 -","4","1","","Beattie, Christopher; Farina, Paolo; Levason, William; Reid, Gillian","Oxa-thia-, oxa-selena and crown ether macrocyclic complexes of tin(ii) tetrafluoroborate and hexafluorophosphate - synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15183","15190","10.1039/c3dt51889b","","","0.71073","MoKα","","0.0551","0.0346","","","0.0682","0.0735","","","","","","1.026","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7023744","10.676","0.004","10.498","0.004","8.533","0.003","90","","90","","90","","956.4","0.6","100","2","100","2","","","","","","","","6","P m c 21","P 2c -2","26","","Fluorido(1,4,7,10,13,16-hexaoxacyclooctadecane)tin(II) hexafluorophosphate","","- C12 H24 F7 O6 P Sn -","- C12 H24 F7 O6 P Sn -","- C24 H48 F14 O12 P2 Sn2 -","2","0.5","","Beattie, Christopher; Farina, Paolo; Levason, William; Reid, Gillian","Oxa-thia-, oxa-selena and crown ether macrocyclic complexes of tin(ii) tetrafluoroborate and hexafluorophosphate - synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15183","15190","10.1039/c3dt51889b","","","0.71073","MoKα","","0.0432","0.0381","","","0.087","0.0895","","","","","","1.047","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7023745","17.656","0.003","17.656","0.003","15.5791","0.001","90","","90","","90","","4856.5","1.2","100","2","100","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","Bis(diaqua(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)tin(II)) tris-hexafluorophosphate fluoride","","- C24 H56 F19 O12 P3 S4 Sn2 -","- C24 H48 F19 O12 P3 S4 Sn2 -","- C96 H192 F76 O48 P12 S16 Sn8 -","4","0.25","","Beattie, Christopher; Farina, Paolo; Levason, William; Reid, Gillian","Oxa-thia-, oxa-selena and crown ether macrocyclic complexes of tin(ii) tetrafluoroborate and hexafluorophosphate - synthesis, properties and structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15183","15190","10.1039/c3dt51889b","","","0.71073","MoKα","","0.0593","0.047","","","0.1283","0.135","","","","","","1.079","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7023746","12.0902","0.001","13.2571","0.0009","13.3691","0.001","86.456","0.006","89.537","0.007","64.306","0.007","1926.8","0.3","104.8","0.4","104.8","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 Cu O5 P2 -","- C45 H47 Cu O5 P2 -","- C90 H94 Cu2 O10 P4 -","2","1","","Adner, David; Möckel, Stefan; Korb, Marcus; Buschbeck, Roy; Rüffer, Tobias; Schulze, Steffen; Mertens, Lutz; Hietschold, Michael; Mehring, Michael; Lang, Heinrich","Copper(ii) and triphenylphosphine copper(i) ethylene glycol carboxylates: synthesis, characterisation and copper nanoparticle generation.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15599","15609","10.1039/c3dt51913a","","","1.54184","CuKα","","0.0606","0.0549","","","0.1424","0.1482","","","","","","1.029","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023747","15.9464","0.0008","10.6978","0.0003","23.2985","0.0011","90","","91.701","0.004","90","","3972.8","0.3","104","1","104","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 Cu O6 P2 -","- C45 H47 Cu O6 P2 -","- C180 H188 Cu4 O24 P8 -","4","1","","Adner, David; Möckel, Stefan; Korb, Marcus; Buschbeck, Roy; Rüffer, Tobias; Schulze, Steffen; Mertens, Lutz; Hietschold, Michael; Mehring, Michael; Lang, Heinrich","Copper(ii) and triphenylphosphine copper(i) ethylene glycol carboxylates: synthesis, characterisation and copper nanoparticle generation.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15599","15609","10.1039/c3dt51913a","","","0.71073","MoKα","","0.049","0.0354","","","0.0814","0.0863","","","","","","1.033","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023748","12.4723","0.0006","12.497","0.0007","12.7037","0.0006","67.651","0.005","75.301","0.004","62.402","0.005","1615.69","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H35 Cu O3 P2 -","- C39 H35 Cu O3 P2 -","- C78 H70 Cu2 O6 P4 -","2","1","","Adner, David; Möckel, Stefan; Korb, Marcus; Buschbeck, Roy; Rüffer, Tobias; Schulze, Steffen; Mertens, Lutz; Hietschold, Michael; Mehring, Michael; Lang, Heinrich","Copper(ii) and triphenylphosphine copper(i) ethylene glycol carboxylates: synthesis, characterisation and copper nanoparticle generation.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15599","15609","10.1039/c3dt51913a","","","0.71073","MoKα","","0.0584","0.039","","","0.0805","0.0869","","","","","","1.024","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023749","21.2391","0.0002","10.7028","0.0001","30.5782","0.0003","90","","90","","90","","6950.97","0.11","115","2","115","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H39 Cu O4 P2 -","- C41 H39 Cu O4 P2 -","- C328 H312 Cu8 O32 P16 -","8","1","","Adner, David; Möckel, Stefan; Korb, Marcus; Buschbeck, Roy; Rüffer, Tobias; Schulze, Steffen; Mertens, Lutz; Hietschold, Michael; Mehring, Michael; Lang, Heinrich","Copper(ii) and triphenylphosphine copper(i) ethylene glycol carboxylates: synthesis, characterisation and copper nanoparticle generation.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15599","15609","10.1039/c3dt51913a","","","1.54184","CuKα","","0.0404","0.0346","","","0.0913","0.0929","","","","","","0.962","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023750","7.7787","0.0008","26.404","0.003","9.484","0.001","90","","93.784","0.001","90","","1943.7","0.4","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 O P -","- C22 H27 O P -","- C88 H108 O4 P4 -","4","1","","Wu, Shanshan; Deligonal, Nihal; Protasiewicz, John D.","An unusually unstable ortho-phosphinophenol and its use to prepare benzoxaphospholes having enhanced air-stability.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14866","14874","10.1039/c3dt51919h","","","0.71073","MoKα","","0.0459","0.0382","","","0.1022","0.1084","","","","","","1.024","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023751","10.5448","0.0009","10.0465","0.0008","35.559","0.003","90","","90","","90","","3767.1","0.5","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 O P -","- C21 H25 O P -","- C168 H200 O8 P8 -","8","1","","Wu, Shanshan; Deligonal, Nihal; Protasiewicz, John D.","An unusually unstable ortho-phosphinophenol and its use to prepare benzoxaphospholes having enhanced air-stability.","Dalton transactions (Cambridge, England : 2003)","2013","42","41","14866","14874","10.1039/c3dt51919h","","","0.71073","MoKα","","0.0658","0.0412","","","0.0983","0.1139","","","","","","1.036","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023752","15.1253","0.0001","13.6233","0.0001","18.767","0.0001","90","","99.359","0.001","90","","3815.59","0.04","123","","123","1","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","[2.2.2]cryptand_rubidium_triphenylzincate_ammonia","","","- C36 H54 N3 O6 Rb Zn -","- C36 H54 N3 O6 Rb Zn -","- C144 H216 N12 O24 Rb4 Zn4 -","4","1","","Fendt, Franziska; Koch, Carina; Gärtner, Stefanie; Korber, Nikolaus","Reaction of Sn4(4-) in liquid ammonia: the formation of Rb6[(η(2)-Sn4)Zn(η(3)-Sn4)]·5NH3.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15548","15550","10.1039/c3dt51932e","","x-ray","0.71073","MoKα","","0.0263","0.0225","","","0.0515","0.0532","","","","","","1.043","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7023753","12.3277","0.0005","13.9177","0.0005","14.9095","0.0005","69.705","0.003","72.104","0.003","87.298","0.003","2278.11","0.16","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H38 Cl6 Cu4 N4 O20 -","- C29 H38 Cl6 Cu4 N4 O20 -","- C58 H76 Cl12 Cu8 N8 O40 -","2","1","","Wang, Ling; Guo, Bin; Li, Hong-Xi; Li, Qi; Li, Hai-Yan; Lang, Jian-Ping","Polynuclear copper(ii) pyrazolate complexes: temperature-dependent protonolysis reactions, crystal structures and high catalytic activity toward the condensation of nitriles with 2-aminoalcohol.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15570","15580","10.1039/c3dt51970h","","","0.71073","MoKα","","0.0592","0.0439","","","0.1065","0.1153","","","","","","1.052","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023754","15.722","0.003","16.304","0.003","16.721","0.003","95.39","0.03","115.01","0.03","114.83","0.03","3328","2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H60 Cu6 N12 O30 -","- C48 H60 Cu6 N12 O30 -","- C96 H120 Cu12 N24 O60 -","2","1","","Wang, Ling; Guo, Bin; Li, Hong-Xi; Li, Qi; Li, Hai-Yan; Lang, Jian-Ping","Polynuclear copper(ii) pyrazolate complexes: temperature-dependent protonolysis reactions, crystal structures and high catalytic activity toward the condensation of nitriles with 2-aminoalcohol.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15570","15580","10.1039/c3dt51970h","","","0.71073","MoKα","","0.0446","0.0312","","","0.0772","0.0845","","","","","","1.04","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023755","15.5074","0.001","15.5074","0.001","19.892","0.0012","90","","90","","90","","4783.6","0.5","173","2","173","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C64 H90 Cu8 N16 O49 -","- C64 H64 Cu8 N16 O49 -","- C128 H128 Cu16 N32 O98 -","2","0.125","","Wang, Ling; Guo, Bin; Li, Hong-Xi; Li, Qi; Li, Hai-Yan; Lang, Jian-Ping","Polynuclear copper(ii) pyrazolate complexes: temperature-dependent protonolysis reactions, crystal structures and high catalytic activity toward the condensation of nitriles with 2-aminoalcohol.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15570","15580","10.1039/c3dt51970h","","","0.71073","MoKα","","0.0823","0.059","","","0.178","0.1991","","","","","","1.068","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023756","9.7783","0.0006","11.533","0.0007","15.773","0.0014","102.191","0.002","95.289","0.002","112.724","0.001","1573.6","0.2","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H36 N6 O4 -","- C35 H36 N6 O4 -","- C70 H72 N12 O8 -","2","1","","Goswami, Shyamaprosad; Das, Sangita; Aich, Krishnendu; Sarkar, Deblina; Mondal, Tapan Kumar; Quah, Ching Kheng; Fun, Hoong-Kun","CHEF induced highly selective and sensitive turn-on fluorogenic and colorimetric sensor for Fe(3+).","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15113","15119","10.1039/c3dt51974k","","","0.71073","MoKα","","0.0865","0.0488","","","0.1337","0.1601","","","","","","1.035","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023757","8.7743","0.0007","14.8192","0.0013","13.3856","0.0012","90","","91.358","0.01","90","","1740","0.3","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C34 H44 Cl2 Rh2 S2 -","- C34 H44 Cl2 Rh2 S2 -","- C68 H88 Cl4 Rh4 S4 -","2","1","","Gupta, Gajendra; Garci, Amine; Murray, Benjamin S.; Dyson, Paul J.; Fabre, Gabin; Trouillas, Patrick; Giannini, Federico; Furrer, Julien; Süss-Fink, Georg; Therrien, Bruno","Synthesis, molecular structure, computational study and in vitro anticancer activity of dinuclear thiolato-bridged pentamethylcyclopentadienyl Rh(iii) and Ir(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15457","15463","10.1039/c3dt51991k","","","0.71073","MoKα","","0.0455","0.0313","","","0.0752","0.0872","","","","","","1","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023758","21.115","0.004","17.085","0.003","20.881","0.004","90","","103.72","0.03","90","","7318","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H48 Cl2 Rh2 S2 -","- C36 H48 Cl2 Rh2 S2 -","- C288 H384 Cl16 Rh16 S16 -","8","1","","Gupta, Gajendra; Garci, Amine; Murray, Benjamin S.; Dyson, Paul J.; Fabre, Gabin; Trouillas, Patrick; Giannini, Federico; Furrer, Julien; Süss-Fink, Georg; Therrien, Bruno","Synthesis, molecular structure, computational study and in vitro anticancer activity of dinuclear thiolato-bridged pentamethylcyclopentadienyl Rh(iii) and Ir(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15457","15463","10.1039/c3dt51991k","","","0.71073","MoKα","","0.0873","0.0323","","","0.0651","0.0774","","","","","","0.764","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023759","11.35","0.002","12.32","0.002","17.097","0.003","88.82","0.03","76","0.03","71.04","0.03","2189.5","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H58 Cl2 Ir2 S3 -","- C44 H58 Cl2 Ir2 S3 -","- C88 H116 Cl4 Ir4 S6 -","2","1","","Gupta, Gajendra; Garci, Amine; Murray, Benjamin S.; Dyson, Paul J.; Fabre, Gabin; Trouillas, Patrick; Giannini, Federico; Furrer, Julien; Süss-Fink, Georg; Therrien, Bruno","Synthesis, molecular structure, computational study and in vitro anticancer activity of dinuclear thiolato-bridged pentamethylcyclopentadienyl Rh(iii) and Ir(iii) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15457","15463","10.1039/c3dt51991k","","","0.71073","MoKα","","0.0551","0.0267","","","0.0491","0.0548","","","","","","0.816","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023760","9.477","0.004","14.953","0.006","13.247","0.005","90","","92.092","0.007","90","","1876","1.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cl2 O4 Sn -","- C18 H18 Cl2 O4 Sn -","- C72 H72 Cl8 O16 Sn4 -","4","1","","Barbul, Ioana; Varga, Richard A.; Molloy, Kieran C.; Silvestru, Cristian","Di(imino)aryltin(iv) dichlorides as tectons for heterometallic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15427","15436","10.1039/c3dt52022f","","","0.71073","MoKα","","0.0726","0.0574","","","0.1099","0.1158","","","","","","1.13","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023761","7.998","0.003","23.24","0.007","7.484","0.002","90","","91.319","0.006","90","","1390.7","0.8","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 O2 Sn -","- C14 H10 Cl2 O2 Sn -","- C56 H40 Cl8 O8 Sn4 -","4","1","","Barbul, Ioana; Varga, Richard A.; Molloy, Kieran C.; Silvestru, Cristian","Di(imino)aryltin(iv) dichlorides as tectons for heterometallic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15427","15436","10.1039/c3dt52022f","","","0.71073","MoKα","","0.0864","0.0782","","","0.1753","0.1797","","","","","","1.312","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023762","7.3265","0.0004","13.3268","0.0007","25.05","0.0014","90","","96.356","0.001","90","","2430.8","0.2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Cl2 N4 Sn -","- C22 H30 Cl2 N4 Sn -","- C88 H120 Cl8 N16 Sn4 -","4","1","","Barbul, Ioana; Varga, Richard A.; Molloy, Kieran C.; Silvestru, Cristian","Di(imino)aryltin(iv) dichlorides as tectons for heterometallic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15427","15436","10.1039/c3dt52022f","","","0.71073","MoKα","","0.028","0.0245","","","0.0563","0.0576","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023763","8.7244","0.0004","13.4519","0.0007","21.1688","0.0011","90","","90.738","0.001","90","","2484.2","0.2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 Cl2 N2 Sn -","- C28 H24 Cl2 N2 Sn -","- C112 H96 Cl8 N8 Sn4 -","4","1","","Barbul, Ioana; Varga, Richard A.; Molloy, Kieran C.; Silvestru, Cristian","Di(imino)aryltin(iv) dichlorides as tectons for heterometallic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15427","15436","10.1039/c3dt52022f","","","0.71073","MoKα","","0.0302","0.0261","","","0.0604","0.0617","","","","","","1.061","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023764","8.4779","0.0009","25.775","0.003","15.9159","0.0016","90","","100.119","0.002","90","","3423.8","0.6","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Cl2 N2 Sn -","- C32 H32 Cl2 N2 Sn -","- C128 H128 Cl8 N8 Sn4 -","4","1","","Barbul, Ioana; Varga, Richard A.; Molloy, Kieran C.; Silvestru, Cristian","Di(imino)aryltin(iv) dichlorides as tectons for heterometallic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15427","15436","10.1039/c3dt52022f","","","0.71073","MoKα","","0.0595","0.0437","","","0.0944","0.0995","","","","","","1.077","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023765","13.0102","0.0009","14.3711","0.001","14.1086","0.001","90","","110.809","0.001","90","","2465.8","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl2 N4 Sn -","- C26 H22 Cl2 N4 Sn -","- C104 H88 Cl8 N16 Sn4 -","4","1","","Barbul, Ioana; Varga, Richard A.; Molloy, Kieran C.; Silvestru, Cristian","Di(imino)aryltin(iv) dichlorides as tectons for heterometallic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15427","15436","10.1039/c3dt52022f","","","0.71073","MoKα","","0.0857","0.0706","","","0.1308","0.1364","","","","","","1.244","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023766","11.158","0.003","11.182","0.003","14.172","0.004","106.741","0.005","104.558","0.005","106.596","0.005","1511.7","0.7","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H25 Cl4 N5 Pd Sn -","- C28 H25 Cl4 N5 Pd Sn -","- C56 H50 Cl8 N10 Pd2 Sn2 -","2","1","","Barbul, Ioana; Varga, Richard A.; Molloy, Kieran C.; Silvestru, Cristian","Di(imino)aryltin(iv) dichlorides as tectons for heterometallic coordination compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15427","15436","10.1039/c3dt52022f","","","0.71073","MoKα","","0.0343","0.0296","","","0.0616","0.0634","","","","","","1.052","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023767","13.1216","0.0003","13.1216","0.0003","13.5926","0.0002","90","","90","","120","","2026.78","0.07","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C18 H26 B2 N18 Na2 S6 -","- C18 H26 B2 N18 Na2 S6 -","- C36 H52 B4 N36 Na4 S12 -","2","0.166667","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","The versatile behaviour of a novel Janus scorpionate ligand towards sodium, potassium and bismuth(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15785","15795","10.1039/c3dt52030g","","","0.71073","MoKα","","0.0519","0.0417","","","0.1403","0.1445","","","","","","1.175","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023768","10.4389","0.0001","10.5802","0.0001","10.6206","0.0001","93.3316","0.0006","96.2652","0.0006","116.481","0.0007","1036.12","0.018","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H40 B2 K N20 Na O2 S6 -","- C24 H40 B2 K N20 Na O2 S6 -","- C24 H40 B2 K N20 Na O2 S6 -","1","0.5","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","The versatile behaviour of a novel Janus scorpionate ligand towards sodium, potassium and bismuth(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15785","15795","10.1039/c3dt52030g","","","0.71073","MoKα","","0.0303","0.0259","","","0.066","0.068","","","","","","1.026","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023769","13.0298","0.0007","13.0298","0.0007","14.0697","0.0009","90","","90","","120","","2068.7","0.2","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C18 H26 B2 K N18 Na S6 -","- C18 H26 B2 K N18 Na S6 -","- C36 H52 B4 K2 N36 Na2 S12 -","2","0.166667","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","The versatile behaviour of a novel Janus scorpionate ligand towards sodium, potassium and bismuth(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15785","15795","10.1039/c3dt52030g","","","0.71073","MoKα","","0.0704","0.0658","","","0.154","0.1562","","","","","","1.174","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023770","10.324","0.004","11.303","0.006","11.545","0.006","94.49","0.04","102.35","0.05","114.39","0.03","1177.4","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H38 B2 Bi2 Cl4 N18 O2 S6 -","- C18 H26 B2 Bi2 Cl4 N18 S6 -","- C18 H26 B2 Bi2 Cl4 N18 S6 -","1","0.5","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","The versatile behaviour of a novel Janus scorpionate ligand towards sodium, potassium and bismuth(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15785","15795","10.1039/c3dt52030g","","","0.71073","MoKα","","0.0442","0.0345","","","0.0687","0.0711","","","","","","1.025","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023771","30.853","0.0012","30.853","0.0012","9.6827","0.0005","90","","90","","90","","9217","0.7","100","2","100","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C9 H13 B Bi Cl2 N9 S3 -","- C9 H13 B Bi Cl2 N9 S3 -","- C144 H208 B16 Bi16 Cl32 N144 S48 -","16","1","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","The versatile behaviour of a novel Janus scorpionate ligand towards sodium, potassium and bismuth(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15785","15795","10.1039/c3dt52030g","","","0.71073","MoKα","","0.0395","0.0251","","","0.0565","0.0591","","","","","","1.014","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023772","17.7736","0.0012","11.6737","0.0012","14.194","0.002","90","","113.552","0.007","90","","2699.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Bi Cl3 N12 S4 -","- C12 H20 Bi Cl3 N12 S4 -","- C48 H80 Bi4 Cl12 N48 S16 -","4","0.5","","Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.","The versatile behaviour of a novel Janus scorpionate ligand towards sodium, potassium and bismuth(iii) ions.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15785","15795","10.1039/c3dt52030g","","","0.71073","MoKα","","0.0215","0.0164","","","0.0314","0.0327","","","","","","1.08","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023773","16.8708","0.0007","7.5238","0.0004","18.488","0.0009","90","","90.423","0.001","90","","2346.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H38 N5 O11 Yb -","- C16 H38 N5 O11 Yb -","- C64 H152 N20 O44 Yb4 -","4","1","","Krchová, Tereza; Kotek, Jan; Jirák, Daniel; Havlíčková, Jana; Císařová, Ivana; Hermann, Petr","Lanthanide(iii) complexes of aminoethyl-DO3A as PARACEST contrast agents based on decoordination of the weakly bound amino group.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15735","15747","10.1039/c3dt52031e","","","0.71073","MoKα","","0.0147","0.0137","","","0.0303","0.0306","","","","","","1.129","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023774","9.4479","0.0007","17.7199","0.0014","15.5379","0.0009","90","","106.573","0.002","90","","2493.2","0.3","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H45 N5 O12 -","- C17 H45 N5 O12 -","- C68 H180 N20 O48 -","4","1","","Krchová, Tereza; Kotek, Jan; Jirák, Daniel; Havlíčková, Jana; Císařová, Ivana; Hermann, Petr","Lanthanide(iii) complexes of aminoethyl-DO3A as PARACEST contrast agents based on decoordination of the weakly bound amino group.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15735","15747","10.1039/c3dt52031e","","","0.71073","MoKα","","0.052","0.0415","","","0.1065","0.1129","","","","","","1.038","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023775","7.4798","0.0002","15.9561","0.0004","20.0951","0.0006","90","","91.567","0.001","90","","2397.42","0.11","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H42 N5 O9.5 -","- C18 H42 N5 O9.5 -","- C72 H168 N20 O38 -","4","1","","Krchová, Tereza; Kotek, Jan; Jirák, Daniel; Havlíčková, Jana; Císařová, Ivana; Hermann, Petr","Lanthanide(iii) complexes of aminoethyl-DO3A as PARACEST contrast agents based on decoordination of the weakly bound amino group.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15735","15747","10.1039/c3dt52031e","","","0.71073","MoKα","","0.0455","0.037","","","0.0902","0.0952","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023776","7.8038","0.0001","16.7236","0.0003","17.8081","0.0003","90","","92.1431","0.0012","90","","2322.47","0.06","150","1","150","1","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H41 N5 O11 -","- C16 H41 N5 O11 -","- C64 H164 N20 O44 -","4","1","","Krchová, Tereza; Kotek, Jan; Jirák, Daniel; Havlíčková, Jana; Císařová, Ivana; Hermann, Petr","Lanthanide(iii) complexes of aminoethyl-DO3A as PARACEST contrast agents based on decoordination of the weakly bound amino group.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15735","15747","10.1039/c3dt52031e","","","0.71073","MoKα","","0.0462","0.0344","","","0.0814","0.0873","","","","","","1.034","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023777","10.6036","0.0007","15.6718","0.0011","16.8115","0.0013","90.3","0.006","97.933","0.006","98.049","0.006","2738.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H84 O P2 Pd -","- C59 H84 O P2 Pd -","- C118 H168 O2 P4 Pd2 -","2","1","","Majchrzak, Mariusz; Kostera, Sylwia; Kubicki, Maciej; Kownacki, Ireneusz","Synthesis of new styrylarenes via Suzuki-Miyaura coupling catalysed by highly active, well-defined palladium catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15535","15539","10.1039/c3dt52063c","","","0.7107","MoKα","","0.1532","0.0678","","","0.1122","0.1369","","","","","","0.915","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023778","10.8591","0.0006","11.7884","0.0004","17.586","0.0007","100.507","0.003","96.062","0.004","94.798","0.004","2188.86","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H44 O P2 Pd -","- C53 H44 O P2 Pd -","- C106 H88 O2 P4 Pd2 -","2","1","","Majchrzak, Mariusz; Kostera, Sylwia; Kubicki, Maciej; Kownacki, Ireneusz","Synthesis of new styrylarenes via Suzuki-Miyaura coupling catalysed by highly active, well-defined palladium catalysts.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15535","15539","10.1039/c3dt52063c","","","0.7107","MoKα","","0.0592","0.0513","","","0.1415","0.1443","","","","","","1.161","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023779","11.1168","0.0005","15.8537","0.0007","31.3514","0.0014","84.171","0.004","83.87","0.004","81.378","0.004","5411.2","0.4","150","","150","","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C108 H106 I4 N20 O7 Zn -","- C108 H106 I4 N20 O7 Zn -","- C216 H212 I8 N40 O14 Zn2 -","2","1","","Gilday, Lydia C.; White, Nicholas G.; Beer, Paul D.","Halogen- and hydrogen-bonding triazole-functionalised porphyrin-based receptors for anion recognition.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15766","15773","10.1039/c3dt52093e","","","1.5418","CuKα","","0.0834","0.0635","","0.1773","0.1471","0.1773","","","","","","0.9345","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023780","9.531","0.003","12.004","0.004","13.577","0.004","115.865","0.006","102.341","0.008","90.368","0.007","1356.6","0.7","180","2","180","2","","","","","","","","7","P -1","-P 1","2","Ruthenium polypyridyl","","","- C25 H20 F6 N5 O3 P Ru -","- C25 H20 F6 N5 O3 P Ru -","- C50 H40 F12 N10 O6 P2 Ru2 -","2","1","","Kim, Juyeong; Yennawar, Hemant P.; Lear, Benjamin J.","Synthesis and characterization of ruthenium polypyridyl complexes with hydroxypyridine derivatives: effect of protonation and ethylation at the pyridyl nitrogen.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15656","15662","10.1039/c3dt52094c","","","0.71073","MoKα","","0.0691","0.061","","","0.17","0.1759","","","","","","1.072","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023781","27.823","0.003","28.101","0.003","28.51","0.003","60.637","0.001","61.965","0.001","84.409","0.002","16889","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C370.75 H311.5 Au8 Cl9.5 N32 O16 P16 Pt4 -","- C370.75 H311.5 Au8 Cl9.5 N32 O16 P16 Pt4 -","- C741.5 H623 Au16 Cl19 N64 O32 P32 Pt8 -","2","1","","Powers, Andrew R.; Yang, Xi; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Inorganic click (iClick) synthesis of heterotrinuclear Pt(II)/Au(I)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14963","14966","10.1039/c3dt52105b","","","0.71073","MoKα","","0.1459","0.0515","","","0.0955","0.1142","","","","","","0.877","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023782","46.159","0.002","46.159","0.002","13.0682","0.0006","90","","90","","120","","24113.4","1.8","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C44 H78 Au4 N8 O5 P4 -","- C40 H68 Au4 N8 O4 P4 -","- C720 H1224 Au72 N144 O72 P72 -","18","1","","Powers, Andrew R.; Yang, Xi; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Inorganic click (iClick) synthesis of heterotrinuclear Pt(II)/Au(I)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14963","14966","10.1039/c3dt52105b","","","0.71073","MoKα","","0.1169","0.0753","","","0.1693","0.1832","","","","","","1.048","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023783","14.963","0.002","19.646","0.003","23.512","0.003","70.137","0.003","86.619","0.003","76.69","0.003","6324.5","1.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H83 Au2 N8 O4 P4 Pt -","- C40 H68 Au2 N8 O4 P4 Pt -","- C160 H272 Au8 N32 O16 P16 Pt4 -","4","2","","Powers, Andrew R.; Yang, Xi; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Inorganic click (iClick) synthesis of heterotrinuclear Pt(II)/Au(I)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14963","14966","10.1039/c3dt52105b","","","0.71073","MoKα","","0.0882","0.0627","","","0.1655","0.1737","","","","","","1.066","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023784","42.079","0.003","42.079","0.003","39.683","0.003","90","","90","","120","","60851","8","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C111.33 H114.8 Au4 Cl0.56 N16 O8 P8 Pt2 -","- C111.5 H128 Au4 Cl10.5917 N16 O8 P8 Pt2 -","- C2007 H2304 Au72 Cl190.65 N288 O144 P144 Pt36 -","18","1","","Powers, Andrew R.; Yang, Xi; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.","Inorganic click (iClick) synthesis of heterotrinuclear Pt(II)/Au(I)2 complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14963","14966","10.1039/c3dt52105b","","","0.71073","MoKα","","0.1422","0.0689","","","0.1871","0.2306","","","","","","1.365","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023785","24.0134","0.0002","20.4685","0.0003","16.1406","0.0002","90","","90","","90","","7933.4","0.17","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C44 H42 B F10 P Zr -","- C44 H42 B F10 P Zr -","- C352 H336 B8 F80 P8 Zr8 -","8","2","","Frömel, Silke; Kehr, Gerald; Fröhlich, Roland; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of dimethylzirconocene complexes with a vicinal frustrated P/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14531","14536","10.1039/c3dt52128a","","","0.71073","MoKα","","0.0689","0.0552","","","0.1161","0.1288","","","","","","1.116","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023786","17.5025","0.0003","23.0203","0.0007","28.2476","0.0008","90","","90","","90","","11381.3","0.5","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C61 H70 B F10 P Zr -","- C61 H70 B F10 P Zr -","- C488 H560 B8 F80 P8 Zr8 -","8","1","","Frömel, Silke; Kehr, Gerald; Fröhlich, Roland; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of dimethylzirconocene complexes with a vicinal frustrated P/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14531","14536","10.1039/c3dt52128a","","","1.54178","CuKα","","0.0951","0.0536","","","0.1069","0.1252","","","","","","1.012","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023787","14.8875","0.0002","17.43","0.0002","19.5656","0.0003","90","","101.034","0.001","90","","4983.2","0.12","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 B Cl2 F10 O P Zr -","- C52 H50 B Cl2 F10 O P Zr -","- C208 H200 B4 Cl8 F40 O4 P4 Zr4 -","4","1","","Frömel, Silke; Kehr, Gerald; Fröhlich, Roland; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of dimethylzirconocene complexes with a vicinal frustrated P/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14531","14536","10.1039/c3dt52128a","","","0.71073","MoKα","","0.0561","0.0474","","","0.1143","0.1232","","","","","","1.069","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023788","9.0108","0.0001","25.1301","0.0004","24.9895","0.0004","90","","92.229","0.001","90","","5654.4","0.14","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 B F10 O2 P Zr -","- C60 H72 B F10 O2 P Zr -","- C240 H288 B4 F40 O8 P4 Zr4 -","4","1","","Frömel, Silke; Kehr, Gerald; Fröhlich, Roland; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of dimethylzirconocene complexes with a vicinal frustrated P/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14531","14536","10.1039/c3dt52128a","","","0.71073","MoKα","","0.064","0.0539","","","0.1394","0.1493","","","","","","1.037","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023789","18.215","0.0002","12.6017","0.0002","22.4162","0.0003","90","","100.989","0.001","90","","5051.07","0.12","223","2","223","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C53 H51 B Cl2 F10 N O P Zr -","- C53 H51 B Cl2 F10 N O P Zr -","- C212 H204 B4 Cl8 F40 N4 O4 P4 Zr4 -","4","1","","Frömel, Silke; Kehr, Gerald; Fröhlich, Roland; Daniliuc, Constantin G.; Erker, Gerhard","Reactions of dimethylzirconocene complexes with a vicinal frustrated P/B Lewis pair.","Dalton transactions (Cambridge, England : 2003)","2013","42","40","14531","14536","10.1039/c3dt52128a","","","0.71073","MoKα","","0.0688","0.0529","","","0.1145","0.127","","","","","","1.079","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023790","14.348","0.0003","18.1039","0.0004","9.2139","0.0002","90","","90","","90","","2393.35","0.09","173","","173","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C27 H31 Al N2 -","- C27 H31 Al N2 -","- C108 H124 Al4 N8 -","4","0.5","","Nako, Adi E.; Gates, Sarah J.; White, Andrew J. P.; Crimmin, Mark R.","Preparation and properties of a series of structurally diverse aluminium hydrides supported by β-diketiminate and bis(amide) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15199","15206","10.1039/c3dt52148f","","","0.71073","MoKα","","0.0736","0.0525","","","0.148","0.1617","","","","","","1.044","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023791","18.9383","0.0003","13.30838","0.00015","18.4372","0.0002","90","","110.857","0.0016","90","","4342.37","0.11","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 Al N3 -","- C21 H36 Al N3 -","- C168 H288 Al8 N24 -","8","2","","Nako, Adi E.; Gates, Sarah J.; White, Andrew J. P.; Crimmin, Mark R.","Preparation and properties of a series of structurally diverse aluminium hydrides supported by β-diketiminate and bis(amide) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15199","15206","10.1039/c3dt52148f","","","0.71073","MoKα","","0.062","0.0449","","","0.1233","0.1326","","","","","","1.055","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023792","8.2933","0.0004","10.1234","0.0004","14.4114","0.0005","103.226","0.003","103.546","0.003","94.966","0.003","1132.45","0.08","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H36 Al N3 -","- C23 H36 Al N3 -","- C46 H72 Al2 N6 -","2","1","","Nako, Adi E.; Gates, Sarah J.; White, Andrew J. P.; Crimmin, Mark R.","Preparation and properties of a series of structurally diverse aluminium hydrides supported by β-diketiminate and bis(amide) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15199","15206","10.1039/c3dt52148f","","","0.71073","MoKα","","0.0571","0.0445","","","0.1281","0.1352","","","","","","1.077","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023793","11.5586","0.0004","11.9034","0.0003","22.9284","0.0007","91.033","0.002","96.291","0.003","108.695","0.002","2965.47","0.16","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H94 Al2 N4 -","- C66 H94 Al2 N4 -","- C132 H188 Al4 N8 -","2","1","","Nako, Adi E.; Gates, Sarah J.; White, Andrew J. P.; Crimmin, Mark R.","Preparation and properties of a series of structurally diverse aluminium hydrides supported by β-diketiminate and bis(amide) ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","15199","15206","10.1039/c3dt52148f","","","1.54184","CuKα","","0.044","0.0382","","","0.0984","0.1032","","","","","","1.043","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023794","11.0504","0.0007","11.7809","0.0007","14.1755","0.0009","112.159","0.001","99.295","0.001","101.201","0.001","1619.61","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[HB(4-Cl-3,5-(CF3)2Pz)3]Ag(cyclooctene)","","","- C23 H15 Ag B Cl3 F18 N6 -","- C23 H15 Ag B Cl3 F18 N6 -","- C46 H30 Ag2 B2 Cl6 F36 N12 -","2","1","","Jayaratna, Naleen B.; Pardue, Daniel B.; Ray, Sriparna; Yousufuddin, Muhammed; Thakur, Krishna G.; Cundari, Thomas R.; Dias, H. V. Rasika","Silver(i) complexes of tris(pyrazolyl)borate ligands bearing six trifluoromethyl and three additional electron-withdrawing substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15399","15410","10.1039/c3dt52152d","","","0.71073","MoKα","","0.0324","0.0299","","","0.0774","0.0794","","","","","","1.036","","","","has coordinates,has disorder","179942","2020-10-21","18:00:00",""
"7023795","9.1587","0.001","10.6707","0.0012","19.284","0.002","105.19","0.001","90.842","0.002","105.294","0.001","1747.2","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[HB(4-(NO2)-3,5-(CF3)2Pz)3]Ag(cyclooctene)","","","- C23.5 H16 Ag B Cl F18 N9 O6 -","- C23.5 H16 Ag B Cl F18 N9 O6 -","- C47 H32 Ag2 B2 Cl2 F36 N18 O12 -","2","1","","Jayaratna, Naleen B.; Pardue, Daniel B.; Ray, Sriparna; Yousufuddin, Muhammed; Thakur, Krishna G.; Cundari, Thomas R.; Dias, H. V. Rasika","Silver(i) complexes of tris(pyrazolyl)borate ligands bearing six trifluoromethyl and three additional electron-withdrawing substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15399","15410","10.1039/c3dt52152d","","","0.71073","MoKα","","0.0555","0.0426","","","0.097","0.1032","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023796","10.5488","0.0004","16.9402","0.0007","17.4895","0.0007","83.886","0.001","74.977","0.001","81.857","0.001","2980.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[HB(3,5-(CF3)2Pz)3]Ag(cyclooctene)","","","- C23 H18 Ag B F18 N6 -","- C23 H18 Ag B F18 N6 -","- C92 H72 Ag4 B4 F72 N24 -","4","2","","Jayaratna, Naleen B.; Pardue, Daniel B.; Ray, Sriparna; Yousufuddin, Muhammed; Thakur, Krishna G.; Cundari, Thomas R.; Dias, H. V. Rasika","Silver(i) complexes of tris(pyrazolyl)borate ligands bearing six trifluoromethyl and three additional electron-withdrawing substituents.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15399","15410","10.1039/c3dt52152d","","","0.71073","MoKα","","0.0444","0.0314","","","0.0712","0.0757","","","","","","1.039","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023797","5.1681","0.0004","7.6308","0.0004","11.3713","0.0008","84.31","0.004","82.173","0.003","73.82","0.004","425.79","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H26 O6 P2 Sn -","- C10 H26 O6 P2 Sn -","- C10 H26 O6 P2 Sn -","1","0.5","","Shankar, Ravi; Asija, Meenal; Singla, Nisha; Basu, Suddhastwa; Kociok-Köhn, Gabriele; Molloy, Kieran C.","Synthesis, characterization and selective de-esterification of diorganotinbis(O-methylphosphite)s.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15591","15598","10.1039/c3dt52178h","","","0.71073","MoKα","","0.0659","0.065","","","0.1868","0.1882","","","","","","1.039","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023798","8.172","0.007","15.548","0.002","5.393","0.004","90","","105.617","0.004","90","","659.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H16 O6 P2 Sn -","- C6 H16 O6 P2 Sn -","- C12 H32 O12 P4 Sn2 -","2","0.5","","Shankar, Ravi; Asija, Meenal; Singla, Nisha; Basu, Suddhastwa; Kociok-Köhn, Gabriele; Molloy, Kieran C.","Synthesis, characterization and selective de-esterification of diorganotinbis(O-methylphosphite)s.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15591","15598","10.1039/c3dt52178h","","","0.71073","MoKα","","0.1009","0.0749","","","0.1744","0.1899","","","","","","1.13","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023799","5.1738","0.0002","16.5102","0.0005","6.4701","0.0002","90","","92.102","0.001","90","","552.31","0.03","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 O6 P2 Sn -","- C4 H14 O6 P2 Sn -","- C8 H28 O12 P4 Sn2 -","2","0.5","","Shankar, Ravi; Asija, Meenal; Singla, Nisha; Basu, Suddhastwa; Kociok-Köhn, Gabriele; Molloy, Kieran C.","Synthesis, characterization and selective de-esterification of diorganotinbis(O-methylphosphite)s.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15591","15598","10.1039/c3dt52178h","","","0.71073","MoKα","","0.0293","0.025","","","0.0594","0.0616","","","","","","1.167","","","","has coordinates","179942","2020-10-21","18:00:00",""
"7023800","9.3348","0.001","13.0009","0.0015","9.3606","0.001","90","","91.282","0.002","90","","1135.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H20 Cl2 Mn3 N20 O4 -","- C6 H20 Cl2 Mn3 N20 O4 -","- C12 H40 Cl4 Mn6 N40 O8 -","2","0.5","","Liu, Zhong-Yi; Zou, Hong-Ai; Hou, Zhao-Jun; Yang, En-Cui; Zhao, Xiao-Jun","Structural motif-dependent magnetic diversity observed in three-dimensional tetrazolyl-based MMOFs: synthesis, structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15716","15725","10.1039/c3dt52190g","","","0.71073","MoKα","","0.0313","0.0295","","","0.0793","0.0806","","","","","","1.012","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023801","17.707","0.003","9.3322","0.0015","22.694","0.004","90","","90","","90","","3750.1","1.1","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H16 Mn2 N10 O6 -","- C12 H16 Mn2 N10 O6 -","- C96 H128 Mn16 N80 O48 -","8","1","","Liu, Zhong-Yi; Zou, Hong-Ai; Hou, Zhao-Jun; Yang, En-Cui; Zhao, Xiao-Jun","Structural motif-dependent magnetic diversity observed in three-dimensional tetrazolyl-based MMOFs: synthesis, structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15716","15725","10.1039/c3dt52190g","","","0.71073","MoKα","","0.0594","0.0439","","","0.0998","0.1088","","","","","","1.032","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023802","18.819","0.004","8.8399","0.0018","11.508","0.002","90","","90","","90","","1914.4","0.7","173","2","173","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C10.7 H17.8 Mn2 N5 O11.7 -","- C10.7 H14.4 Mn2 N5 O11.7 -","- C42.8 H57.6 Mn8 N20 O46.8 -","4","0.5","","Liu, Zhong-Yi; Zou, Hong-Ai; Hou, Zhao-Jun; Yang, En-Cui; Zhao, Xiao-Jun","Structural motif-dependent magnetic diversity observed in three-dimensional tetrazolyl-based MMOFs: synthesis, structures and magnetism.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15716","15725","10.1039/c3dt52190g","","","0.71073","MoKα","","0.0969","0.0942","","","0.3434","0.3466","","","","","","1.066","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023803","34.8012","0.001","34.8012","0.001","14.7872","0.0006","90","","90","","90","","17909.1","1","90","2","90","2","","","","","","","","6","I 41 m d","I 4bw -2","109","","","","- C44 H96 Br4 Mn4 O40 Ti13 -","- C44 H97 Br4 Mn4 O40 Ti13 -","- C352 H776 Br32 Mn32 O320 Ti104 -","8","0.5","","Chen, Yang; Sokolow, Jesse D.; Trzop, Elzbieta; Coppens, Philip","A manganese-doped polymeric framework of polyoxotitanate nanoclusters with a narrow band gap.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15285","15287","10.1039/c3dt52218k","","","0.71073","MoKα","","0.0628","0.0545","","","0.1496","0.1579","","","","","","1.043","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023804","8.1271","0.0005","14.1157","0.0009","16.6699","0.001","112.622","0.0016","95.9764","0.0016","94.3523","0.0017","1741.58","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H32 Au N O6 S10 -","- C24 H32 Au N O6 S10 -","- C48 H64 Au2 N2 O12 S20 -","2","1","","Nishihara, Sadafumi; Zhang, Xiao; Kunishio, Kazuhisa; Inoue, Katsuya; Ren, Xiao-Ming; Akutagawa, Tomoyuki; Kishine, Jun-Ichiro; Fujisawa, Masashi; Asakura, Atsushi; Okubo, Susumu; Ohta, Hitoshi; Nakamura, Takayoshi","The effect of doping a molecular spin ladder with non-magnetic impurities.","Dalton transactions (Cambridge, England : 2003)","2013","42","43","15263","15266","10.1039/c3dt52249k","","","0.71075","MoKα","","0.0761","0.0564","","","0.136","0.1462","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023805","21.841","0.003","25.024","0.002","34.582","0.003","90","","90","","90","","18901","3","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C86 H82 F12 N10 O4 P2 Ru -","- C86 H82 F12 N10 O4 P2 Ru -","- C688 H656 F96 N80 O32 P16 Ru8 -","8","0.25","","Yang, Jiajia; Clegg, Jack K.; Jiang, Qibai; Lui, Xiaoming; Yan, Hong; Zhong, Wei; Beves, Jonathon E.","Multi-pyridine decorated Fe(ii) and Ru(ii) complexes by Pd(0)-catalysed cross couplings: new building blocks for metallosupramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15625","15636","10.1039/c3dt52331d","","","0.71073","MoKα","","0.0616","0.0514","","","0.1082","0.1092","","","","","","1.023","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023806","32.008","0.005","17.136","0.003","26.226","0.005","90","","105.545","0.003","90","","13858","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H58.5 F12 N10 O8.25 P2 Ru -","- C62 H42 F6 N10 O5.625 P Ru -","- C496 H336 F48 N80 O45 P8 Ru8 -","8","1","","Yang, Jiajia; Clegg, Jack K.; Jiang, Qibai; Lui, Xiaoming; Yan, Hong; Zhong, Wei; Beves, Jonathon E.","Multi-pyridine decorated Fe(ii) and Ru(ii) complexes by Pd(0)-catalysed cross couplings: new building blocks for metallosupramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15625","15636","10.1039/c3dt52331d","","","0.71073","MoKα","","0.19","0.0969","","","0.2344","0.2739","","","","","","0.946","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023807","31.977","0.004","16.992","0.002","26.943","0.003","90","","106.844","0.002","90","","14011","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C68 H81 F12 Fe N16 O22.5 P2 -","- C63 H45 F6 Fe N11 O6.5 P -","- C504 H360 F48 Fe8 N88 O52 P8 -","8","1","","Yang, Jiajia; Clegg, Jack K.; Jiang, Qibai; Lui, Xiaoming; Yan, Hong; Zhong, Wei; Beves, Jonathon E.","Multi-pyridine decorated Fe(ii) and Ru(ii) complexes by Pd(0)-catalysed cross couplings: new building blocks for metallosupramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15625","15636","10.1039/c3dt52331d","","","0.71073","MoKα","","0.1529","0.0968","","","0.2683","0.3023","","","","","","0.966","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023808","19.323","0.005","20.548","0.006","26.542","0.007","81.138","0.005","81.923","0.005","84.253","0.005","10276","5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C186 H126 F30 N31 O3 P5 Ru3 -","- C186 H126 F3 N31 O3 P5.3 Ru3 -","- C372 H252 F6 N62 O6 P10.6 Ru6 -","2","1","","Yang, Jiajia; Clegg, Jack K.; Jiang, Qibai; Lui, Xiaoming; Yan, Hong; Zhong, Wei; Beves, Jonathon E.","Multi-pyridine decorated Fe(ii) and Ru(ii) complexes by Pd(0)-catalysed cross couplings: new building blocks for metallosupramolecular assemblies.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15625","15636","10.1039/c3dt52331d","","","0.71073","MoKα","","0.1947","0.1204","","","0.3256","0.3787","","","","","","1.289","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023809","11.1142","0.0007","11.1854","0.0006","13.5209","0.0009","99.847","0.003","95.557","0.003","118.19","0.002","1428.81","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H60 F12 Fe N24 Sb2 -","- C30 H60 F12 Fe N24 Sb2 -","- C30 H60 F12 Fe N24 Sb2 -","1","0.5","","Tafili-Kryeziu, Myrvete; Weil, Matthias; Muranaka, Takahiro; Bousseksou, Azzedine; Hasegawa, Miki; Jun, Akimitsu; Linert, Wolfgang","Effect of the counter-anion on the spin-transition properties of a family of Fe(ii) tetrazole complexes, [Fe(i4tz)6]X2 (X = ClO4(-), PF6(-), SbF6(-), BF4(-)).","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15796","15804","10.1039/c3dt52339j","","","0.71073","MoKα","","0.1474","0.0662","","","0.1727","0.2297","","","","","","1.002","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023810","10.9904","0.0006","11.1561","0.0006","13.2378","0.0008","100.885","0.002","95.591","0.002","117.396","0.002","1383.14","0.14","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H60 F12 Fe N24 Sb2 -","- C30 H60 F12 Fe N24 Sb2 -","- C30 H60 F12 Fe N24 Sb2 -","1","0.5","","Tafili-Kryeziu, Myrvete; Weil, Matthias; Muranaka, Takahiro; Bousseksou, Azzedine; Hasegawa, Miki; Jun, Akimitsu; Linert, Wolfgang","Effect of the counter-anion on the spin-transition properties of a family of Fe(ii) tetrazole complexes, [Fe(i4tz)6]X2 (X = ClO4(-), PF6(-), SbF6(-), BF4(-)).","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15796","15804","10.1039/c3dt52339j","","","0.71073","MoKα","","0.1031","0.0541","","","0.1336","0.1674","","","","","","1.05","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023811","11.1966","0.0009","18.472","0.0017","19.6593","0.0018","76.912","0.004","86.891","0.004","80.92","0.004","3910","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H60 F12 Fe N24 Sb2 -","- C30 H60 F12 Fe N24 Sb2 -","- C90 H180 F36 Fe3 N72 Sb6 -","3","1.5","","Tafili-Kryeziu, Myrvete; Weil, Matthias; Muranaka, Takahiro; Bousseksou, Azzedine; Hasegawa, Miki; Jun, Akimitsu; Linert, Wolfgang","Effect of the counter-anion on the spin-transition properties of a family of Fe(ii) tetrazole complexes, [Fe(i4tz)6]X2 (X = ClO4(-), PF6(-), SbF6(-), BF4(-)).","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15796","15804","10.1039/c3dt52339j","","","0.71073","MoKα","","0.116","0.0747","","","0.1762","0.2001","","","","","","1.072","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023812","21.4874","0.0019","21.1068","0.0018","22.3719","0.0018","90","","111.269","0.002","90","","9455.2","1.4","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53 H68 N2 O3 Zr -","- C53 H68 N2 O3 Zr -","- C424 H544 N16 O24 Zr8 -","8","2","","Despagnet-Ayoub, Emmanuelle; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","Addition of a phosphine ligand switches an N-heterocyclic carbene-zirconium catalyst from oligomerization to polymerization of 1-hexene.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15544","15547","10.1039/c3dt52342j","","","0.71073","MoKα","","0.098","0.0479","","","0.0924","0.1049","","","","","","1.133","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023813","16.913","0.003","15.631","0.002","20.393","0.003","90","","95.168","0.003","90","","5369.3","1.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H51 Cl6 F12 N7 P2 Ru -","- C42 H51 Cl6 F12 N7 P2 Ru -","- C168 H204 Cl24 F48 N28 P8 Ru4 -","4","1","","Larocque, Timothy G.; Badaj, Anna C.; Lavoie, Gino G.","Formation of a dicationic ruthenium benzyl complex by halide abstraction from a Grubbs-type second-generation benzylidene.","Dalton transactions (Cambridge, England : 2003)","2013","42","42","14955","14958","10.1039/c3dt52357h","","","0.71073","MoKα","","0.0858","0.0596","","","0.1534","0.1691","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023814","9.8356","0.0004","12.3427","0.0005","17.2609","0.0008","107.259","0.004","97.936","0.004","105.863","0.004","1869.29","0.16","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H37 Br3 Eu N6 O8 P3 -","- C27 H37 Br3 Eu N6 O8 P3 -","- C54 H74 Br6 Eu2 N12 O16 P6 -","2","1","","Evans, Nicholas H.; Carr, Rachel; Delbianco, Martina; Pal, Robert; Yufit, Dmitry S.; Parker, David","Complete stereocontrol in the synthesis of macrocyclic lanthanide complexes: direct formation of enantiopure systems for circularly polarised luminescence applications.","Dalton transactions (Cambridge, England : 2003)","2013","42","44","15610","15616","10.1039/c3dt52425f","","","0.7107","MoKα","Mo","0.0617","0.0429","","","0.0832","0.0918","","","","","","1.02","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023815","4.2757","0.0008","13.674","0.002","12.009","0.002","90","","99.347","0.002","90","","692.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ditallium(i) di-N,N-(2-cyano-2-oximinoacetyl)piperazine","Ditallium(I) di-N,N-(2-cyano-2-oximinoacetyl)piperazine","","- C10 H8 N6 O4 Tl2 -","- C10 H8 N6 O4 Tl2 -","- C20 H16 N12 O8 Tl4 -","2","0.5","","Cheadle, Carl; Gerasimchuk, Nikolay; Barnes, Charles L.; Tyukhtenko, Sergiy I.; Silchenko, Svitlana","The first bis-cyanoxime: synthesis and properties of a new versatile and accessible polydentate bifunctional building block for coordination and supramolecular chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4931","4946","10.1039/c2dt31924a","","","0.71073","MoKα","","0.0514","0.0451","","","0.0987","0.1013","","","","","","1.272","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023816","6.298","0.005","15.488","0.012","6.453","0.005","90","","102.648","0.013","90","","614.2","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Di-N,N-(2-cyano-2-oximinoacetyl)piperazine","Di-N,N-(2-cyano-2-oximinoacetyl)piperazine","","- C10 H10 N6 O4 -","- C10 H10 N6 O4 -","- C20 H20 N12 O8 -","2","0.5","","Cheadle, Carl; Gerasimchuk, Nikolay; Barnes, Charles L.; Tyukhtenko, Sergiy I.; Silchenko, Svitlana","The first bis-cyanoxime: synthesis and properties of a new versatile and accessible polydentate bifunctional building block for coordination and supramolecular chemistry.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4931","4946","10.1039/c2dt31924a","","","0.71073","MoKα","","0.0843","0.0605","","","0.1695","0.1859","","","","","","1.096","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023817","15.7828","0.0007","11.0357","0.0003","16.9825","0.0007","90","","117.366","0.005","90","","2626.9","0.2","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C58 H58 Ba N2 O2 P2 Se2 -","- C58 H58 Ba N2 O2 P2 Se2 -","- C116 H116 Ba2 N4 O4 P4 Se4 -","2","1","","Kottalanka, Ravi K.; Naktode, Kishor; Anga, Srinivas; Nayek, Hari Pada; Panda, Tarun K.","Heavier alkaline earth metal complexes with phosphinoselenoic amides: evidence of direct M-Se contact (M = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4947","4956","10.1039/c2dt32339g","","","1.54184","CuKα","","0.0583","0.0545","","","0.1354","0.1396","","","","","","1.026","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023818","9.4326","0.0008","14.8835","0.0014","20.239","0.002","90","","116.921","0.007","90","","2533.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N O P Se -","- C29 H30 N O P Se -","- C116 H120 N4 O4 P4 Se4 -","4","1","","Kottalanka, Ravi K.; Naktode, Kishor; Anga, Srinivas; Nayek, Hari Pada; Panda, Tarun K.","Heavier alkaline earth metal complexes with phosphinoselenoic amides: evidence of direct M-Se contact (M = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4947","4956","10.1039/c2dt32339g","","","1.54184","CuKα","","0.0761","0.0595","","","0.1534","0.1675","","","","","","1.028","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023819","10.2981","0.0009","10.9898","0.0009","14.4141","0.0013","99.955","0.007","101.789","0.008","103.034","0.007","1514.2","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H70 Ca N2 O4 P2 Se2 -","- C66 H70 Ca N2 O4 P2 Se2 -","- C66 H70 Ca N2 O4 P2 Se2 -","1","0.5","","Kottalanka, Ravi K.; Naktode, Kishor; Anga, Srinivas; Nayek, Hari Pada; Panda, Tarun K.","Heavier alkaline earth metal complexes with phosphinoselenoic amides: evidence of direct M-Se contact (M = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4947","4956","10.1039/c2dt32339g","","","1.54184","CuKα","","0.0897","0.0762","","","0.1998","0.2068","","","","","","1.186","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023820","10.392","0.0017","12.981","0.002","13.463","0.0017","109.103","0.013","107.189","0.013","104.478","0.014","1513.7","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H74 N2 Na2 O4 P2 Se2 -","- C66 H74 N2 Na2 O4 P2 Se2 -","- C66 H74 N2 Na2 O4 P2 Se2 -","1","0.5","","Kottalanka, Ravi K.; Naktode, Kishor; Anga, Srinivas; Nayek, Hari Pada; Panda, Tarun K.","Heavier alkaline earth metal complexes with phosphinoselenoic amides: evidence of direct M-Se contact (M = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4947","4956","10.1039/c2dt32339g","","","1.54184","CuKα","","0.0452","0.0379","","","0.0987","0.1065","","","","","","1.036","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023821","10.191","0.005","10.912","0.005","14.641","0.005","99.369","0.005","101.195","0.005","103.621","0.005","1514.7","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H74 N2 O4 P2 Se2 Sr -","- C66 H74 N2 O4 P2 Se2 Sr -","- C66 H74 N2 O4 P2 Se2 Sr -","1","0.5","","Kottalanka, Ravi K.; Naktode, Kishor; Anga, Srinivas; Nayek, Hari Pada; Panda, Tarun K.","Heavier alkaline earth metal complexes with phosphinoselenoic amides: evidence of direct M-Se contact (M = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4947","4956","10.1039/c2dt32339g","","","0.71069","MoKα","","0.0503","0.0444","","","0.1149","0.1201","","","","","","1.063","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023822","10.4891","0.001","13.1334","0.001","13.4628","0.0008","67.483","0.006","84.963","0.006","66.685","0.008","1568.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H74 K2 N2 O4 P2 Se2 -","- C66 H74 K2 N2 O4 P2 Se2 -","- C66 H74 K2 N2 O4 P2 Se2 -","1","0.5","","Kottalanka, Ravi K.; Naktode, Kishor; Anga, Srinivas; Nayek, Hari Pada; Panda, Tarun K.","Heavier alkaline earth metal complexes with phosphinoselenoic amides: evidence of direct M-Se contact (M = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4947","4956","10.1039/c2dt32339g","","","1.54184","CuKα","","0.0635","0.047","","","0.1155","0.127","","","","","","1.063","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023823","12.2406","0.0003","13.6069","0.0004","20.4841","0.0006","90","","121.334","0.002","90","","2914.16","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 N O P Se -","- C35 H34 N O P Se -","- C140 H136 N4 O4 P4 Se4 -","4","1","","Kottalanka, Ravi K.; Naktode, Kishor; Anga, Srinivas; Nayek, Hari Pada; Panda, Tarun K.","Heavier alkaline earth metal complexes with phosphinoselenoic amides: evidence of direct M-Se contact (M = Ca, Sr, Ba).","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4947","4956","10.1039/c2dt32339g","","","1.54184","CuKα","","0.0562","0.0426","","","0.1209","0.1386","","","","","","0.757","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023824","33.126","0.0005","7","0.0002","14.809","0.0011","90","","109.283","0.002","90","","3241.3","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","HguaCuW","","","- C9 H0 Cu N11 W -","- C9 Cu N11 W -","- C72 Cu8 N88 W8 -","8","1","","Stefańczyk, Olaf; Majcher, Anna M.; Rams, Michał; Nitek, Wojciech; Kozieł, Marcin; Łasocha, Wiesław; Sieklucka, Barbara","Incorporation of guanidinium ions in Cu(II)-[M(V)(CN)8]3- double-layered magnetic systems.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5042","5046","10.1039/c2dt32397d","","","0.71073","MoKα","","0.0758","0.0535","","","0.1433","0.1588","","","","135.661","135.661","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023825","6.3272","0.0007","9.8159","0.0012","16.2332","0.0017","90","","96.078","0.008","90","","1002.5","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl2 Cu N3 O2 -","- C16 H21 Cl2 Cu N3 O2 -","- C32 H42 Cl4 Cu2 N6 O4 -","2","1","","Li, Xi-Li; Chen, Chun-Lai; Han, Li-Feng; Liu, Cai-Ming; Song, You; Yang, Xiao-Gang; Fang, Shao-Ming","First one-dimensional homochiral stairway-like Cu(II) chains: crystal structures, circular dichroism (CD) spectra, ferroelectricity and antiferromagnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5036","5041","10.1039/c2dt32578k","","","0.71073","MoKα","","0.0885","0.073","","","0.2029","0.2143","","","","","","1.097","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023826","6.3364","0.0007","9.8456","0.0009","16.314","0.002","90","","96.19","0.01","90","","1011.83","0.19","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl2 Cu N3 O2 -","- C16 H21 Cl2 Cu N3 O2 -","- C32 H42 Cl4 Cu2 N6 O4 -","2","1","","Li, Xi-Li; Chen, Chun-Lai; Han, Li-Feng; Liu, Cai-Ming; Song, You; Yang, Xiao-Gang; Fang, Shao-Ming","First one-dimensional homochiral stairway-like Cu(II) chains: crystal structures, circular dichroism (CD) spectra, ferroelectricity and antiferromagnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5036","5041","10.1039/c2dt32578k","","","0.71073","MoKα","","0.0715","0.061","","","0.1513","0.159","","","","","","1.059","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023827","8.6701","0.0003","27.3657","0.001","8.7172","0.0003","90","","115.417","0.002","90","","1868.08","0.12","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl2 N5 O2 Ru -","- C17 H13 Cl2 N5 O2 Ru -","- C68 H52 Cl8 N20 O8 Ru4 -","4","1","","Ghosh, Kaushik; Kumar, Rajan; Kumar, Sushil; Meena, Jay Singh","Syntheses, structures and properties of ruthenium complexes of tridentate ligands: isolation and characterization of a rare example of ruthenium nitrosyl complex containing {RuNO}5 moiety.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13444","13452","10.1039/c3dt00027c","","","0.71073","MoKα","","0.0556","0.0357","","","0.0724","0.0792","","","","","","0.976","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023828","10.332","0.002","13.149","0.003","15.401","0.003","89.076","0.012","76.191","0.011","67.489","0.01","1870.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H29 Cl3 N5 O9 P Ru -","- C35 H29 Cl3 N5 O9 P Ru -","- C70 H58 Cl6 N10 O18 P2 Ru2 -","2","1","","Ghosh, Kaushik; Kumar, Rajan; Kumar, Sushil; Meena, Jay Singh","Syntheses, structures and properties of ruthenium complexes of tridentate ligands: isolation and characterization of a rare example of ruthenium nitrosyl complex containing {RuNO}5 moiety.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13444","13452","10.1039/c3dt00027c","","","0.71073","MoKα","","0.1192","0.0583","","","0.0825","0.0908","","","","","","1.374","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023829","12.4191","0.0002","15.6401","0.0003","12.5526","0.0002","90","","115.74","0.001","90","","2196.24","0.07","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- K4 Mn3 O51 Si W9 -","- K4 Mn3 O51 Si W9 -","- K8 Mn6 O102 Si2 W18 -","2","0.5","","Shevchenko, Denys; Huang, Ping; Bon, Volodymyr V.; Anderlund, Magnus F.; Kokozay, Vladimir N.; Styring, Stenbjörn; Thapper, Anders","Synthesis, crystal structure, mass spectrometry, electrochemistry and magnetism of a Mn(III)-substituted trilacunary Keggin tungstosilicate.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5130","5139","10.1039/c3dt12500a","","","0.71073","MoKα","","0.044","0.0326","","","0.0769","0.0832","","","","","","1.093","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023830","10.1247","0.0005","10.8254","0.0006","11.421","0.0006","64.411","0.001","79.058","0.001","70.943","0.001","1065.38","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H52 Cl4 N12 Ni2 O2 -","- C38 H52 Cl4 N12 Ni2 O2 -","- C38 H52 Cl4 N12 Ni2 O2 -","1","0.5","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy","Cross-coupling of alkyl halides with aryl or alkyl Grignards catalyzed by dinuclear Ni(II) complexes containing functionalized tripodal amine-pyrazolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5150","5158","10.1039/c3dt32111h","","","0.71073","MoKα","","0.0423","0.0364","","","0.0869","0.0899","","","","","","1.052","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023831","10.5138","0.0005","10.8388","0.0005","11.979","0.0006","111.192","0.001","101.987","0.001","108.739","0.001","1121.32","0.09","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H52 Cl4 N12 Ni2 S2 -","- C38 H52 Cl4 N12 Ni2 S2 -","- C38 H52 Cl4 N12 Ni2 S2 -","1","0.5","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy","Cross-coupling of alkyl halides with aryl or alkyl Grignards catalyzed by dinuclear Ni(II) complexes containing functionalized tripodal amine-pyrazolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5150","5158","10.1039/c3dt32111h","","","0.71073","MoKα","","0.0391","0.0351","","","0.0908","0.0931","","","","","","1.072","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023832","11.1367","0.0016","14.948","0.002","14.731","0.002","90","","95.788","0.004","90","","2439.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 Cl8 N10 Ni2 S2 -","- C38 H54 Cl8 N10 Ni2 S2 -","- C76 H108 Cl16 N20 Ni4 S4 -","2","0.5","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy","Cross-coupling of alkyl halides with aryl or alkyl Grignards catalyzed by dinuclear Ni(II) complexes containing functionalized tripodal amine-pyrazolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5150","5158","10.1039/c3dt32111h","","","0.71073","MoKα","","0.0751","0.0549","","","0.1198","0.1304","","","","","","1.051","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023833","11.4772","0.0012","12.3357","0.0012","22.48","0.002","90","","90","","90","","3182.7","0.5","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H23 Br2 Mg N2 O -","- C10 H23 Br2 Mg N2 O -","- C80 H184 Br16 Mg8 N16 O8 -","8","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy","Cross-coupling of alkyl halides with aryl or alkyl Grignards catalyzed by dinuclear Ni(II) complexes containing functionalized tripodal amine-pyrazolyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5150","5158","10.1039/c3dt32111h","","","0.71073","MoKα","","0.1096","0.0517","","","0.1217","0.1593","","","","","","1.023","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023834","25.0441","0.0018","40.832","0.003","33.763","0.002","90","","125.986","0.004","90","","27937","4","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C267.75 H218 Cu6 F36 N12 O3 P18 -","- C267.75 H212 Cu6 F29.5 N12 O3 P17 -","- C1071 H848 Cu24 F118 N48 O12 P68 -","4","1","","Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Murray, Niamh S.; Schönle, Jonas; Soydaner, Umut; Walliser, Roché M; Zampese, Jennifer A.","Monomer, dimer or cyclic helicate? Coordination diversity with hard-soft P,N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4970","4977","10.1039/c3dt32560a","","","0.71073","MoKα","","0.4535","0.1469","","","0.2839","0.432","","","","","","1.352","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023835","15.5949","0.0007","16.6538","0.0009","29.573","0.002","90","","90","","90","","7680.5","0.7","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C88 H68 Cu2 F12 N4 P6 -","- C88 H68 Cu2 F12 N4 P6 -","- C352 H272 Cu8 F48 N16 P24 -","4","0.5","","Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Murray, Niamh S.; Schönle, Jonas; Soydaner, Umut; Walliser, Roché M; Zampese, Jennifer A.","Monomer, dimer or cyclic helicate? Coordination diversity with hard-soft P,N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4970","4977","10.1039/c3dt32560a","","","0.71073","MoKα","","0.0683","0.0495","","","0.1314","0.1497","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023836","11.5785","0.0008","20.7404","0.0014","20.7983","0.0015","90","","104.562","0.003","90","","4834.1","0.6","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C92 H78 Cl12 Cu2 F12 N6 O4 P6 -","- C92 H78 Cl12 Cu2 F12 N6 O4 P6 -","- C184 H156 Cl24 Cu4 F24 N12 O8 P12 -","2","0.5","","Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Murray, Niamh S.; Schönle, Jonas; Soydaner, Umut; Walliser, Roché M; Zampese, Jennifer A.","Monomer, dimer or cyclic helicate? Coordination diversity with hard-soft P,N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4970","4977","10.1039/c3dt32560a","","","0.71073","MoKα","","0.0848","0.0654","","","0.2034","0.2298","","","","","","1.151","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023837","25.0441","0.0018","40.832","0.003","33.763","0.002","90","","125.986","0.004","90","","27937","4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C264 H204 Cu6 N12 P12 -","- C264 H204 Cu6 N12 P12 -","- C1056 H816 Cu24 N48 P48 -","4","1","","Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Murray, Niamh S.; Schönle, Jonas; Soydaner, Umut; Walliser, Roché M; Zampese, Jennifer A.","Monomer, dimer or cyclic helicate? Coordination diversity with hard-soft P,N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4970","4977","10.1039/c3dt32560a","","","0.71073","MoKα","","0.3106","0.1259","","","0.3152","0.3771","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023838","12.9676","0.0014","47.18","0.005","18.0286","0.0015","90","","128.169","0.005","90","","8671.8","1.6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C181 H158 Cu4 F24 N8 O5 P12 -","- C181 H148 Cu4 F24 N8 O5 P12 -","- C362 H296 Cu8 F48 N16 O10 P24 -","2","0.5","","Constable, Edwin C.; Hostettler, Nik; Housecroft, Catherine E.; Murray, Niamh S.; Schönle, Jonas; Soydaner, Umut; Walliser, Roché M; Zampese, Jennifer A.","Monomer, dimer or cyclic helicate? Coordination diversity with hard-soft P,N-donor ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4970","4977","10.1039/c3dt32560a","","","0.71073","MoKα","","0.1296","0.0831","","","0.2258","0.2623","","","","","","1.16","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7023839","13.803","0.002","27.796","0.009","14.222","0.001","90","","98.392","0.006","90","","5398","2","200","2","200","2","","","","","","","synthesis as described","7","P 1 21 1","P 2yb","4","","","","- C114 H154 Al Li O6 Si Ti6 -","- C114 H154 Al Li O6 Si Ti6 -","- C228 H308 Al2 Li2 O12 Si2 Ti12 -","2","1","","Hernán-Gómez, Alberto; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Contact and solvent-separated ion pair aluminium ""ate"" complexes on a titanium oxide molecular model.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5076","5084","10.1039/c3dt32725f","","x-ray","0.71073","MoKα","","0.1425","0.0808","","","0.1912","0.2241","","","","","","0.986","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023840","10.3218","0.0007","11.081","0.003","19.5946","0.0012","88.662","0.01","84.202","0.005","67.896","0.012","2065.5","0.6","200","2","200","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C41 H62 Al Li O3 Ti3 -","- C41 H62 Al Li O3 Ti3 -","- C82 H124 Al2 Li2 O6 Ti6 -","2","1","","Hernán-Gómez, Alberto; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Contact and solvent-separated ion pair aluminium ""ate"" complexes on a titanium oxide molecular model.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5076","5084","10.1039/c3dt32725f","","x-ray","0.71073","MoKα","","0.1138","0.0522","","","0.105","0.1208","","","","","","0.934","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023841","10.979","0.002","13.828","0.002","20.427","0.003","71.85","0.01","89.76","0.02","68.07","0.02","2711.4","0.9","200","2","200","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C58 H75 Al Li N O3 Ti3 -","- C58 H75 Al Li N O3 Ti3 -","- C116 H150 Al2 Li2 N2 O6 Ti6 -","2","1","","Hernán-Gómez, Alberto; Martín, Avelino; Mena, Miguel; Santamaría, Cristina","Contact and solvent-separated ion pair aluminium ""ate"" complexes on a titanium oxide molecular model.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5076","5084","10.1039/c3dt32725f","","x-ray","0.71073","MoKα","","0.1531","0.0664","","","0.1591","0.1961","","","","","","1.063","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023842","8.1267","0.0005","9.1916","0.0006","14.8385","0.001","90","","90","","90","","1108.4","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 Cl3 N2 Pb -","- C6 H11 Cl3 N2 Pb -","- C24 H44 Cl12 N8 Pb4 -","4","1","","Coleman, Fergal; Feng, Guo; Murphy, Richard W.; Nockemann, Peter; Seddon, Kenneth R.; Swadźba-Kwaśny, Małgorzata","Lead(II) chloride ionic liquids and organic/inorganic hybrid materials‒a study of chloroplumbate(II) speciation.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5025","5035","10.1039/c3dt32742f","","","0.71075","MoKα","","0.0149","0.014","","","0.0319","0.0322","","","","","","0.829","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023843","8.537","0.001","8.942","0.001","10.68","0.002","70.914","0.006","75.052","0.006","75.559","0.007","732.14","0.18","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H15 Cl2 Co N4 O -","- C12 H15 Cl2 Co N4 O -","- C24 H30 Cl4 Co2 N8 O2 -","2","1","","Panja, Anangamohan; Guionneau, Philippe","The first example of a centro-symmetrical bis(imido)-bridged dinuclear cobalt(III) complex: synthesis via oxidative dehydrogenation and phenoxazinone synthase activity.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5068","5075","10.1039/c3dt32788d","","","0.71073","MoKα","","0.0832","0.0478","","","0.1046","0.1187","","","","","","1.011","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023844","6.453","0.005","9.664","0.006","15.797","0.001","90","","101.634","0.005","90","","964.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 N2 Ni O2 -","- C18 H26 Cl2 N2 Ni O2 -","- C36 H52 Cl4 N4 Ni2 O4 -","2","0.5","","Hameury, Sophie; Kayser, Laure; Pattacini, Roberto; Rogez, Guillaume; Wernsdorfer, Wolfgang; Braunstein, Pierre","Synthesis of cubane-type Ni(II) complexes from pyridyl-alcohol ligands; their single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5013","5024","10.1039/c3dt32869d","","x-ray","0.71073","MoKα","","0.0742","0.0421","","","0.093","0.1029","","","","","","1.059","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023845","10.3633","0.0016","10.4885","0.0008","10.5196","0.0015","91.769","0.008","116.368","0.006","99.801","0.008","1002.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 Cl8 N4 Ni2 O4 -","- C30 H40 Cl8 N4 Ni2 O4 -","- C30 H40 Cl8 N4 Ni2 O4 -","1","0.5","","Hameury, Sophie; Kayser, Laure; Pattacini, Roberto; Rogez, Guillaume; Wernsdorfer, Wolfgang; Braunstein, Pierre","Synthesis of cubane-type Ni(II) complexes from pyridyl-alcohol ligands; their single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5013","5024","10.1039/c3dt32869d","","x-ray","0.71073","MoKα","","0.1334","0.1108","","","0.1919","0.2001","","","","","","1.254","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023846","17.4746","0.0011","17.4746","0.0011","19.6937","0.0016","90","","90","","90","","6013.7","0.7","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C36 H52 Cl8 N4 Ni4 O4 -","- C36 H52 Cl8 N4 Ni4 O4 -","- C144 H208 Cl32 N16 Ni16 O16 -","4","0.25","","Hameury, Sophie; Kayser, Laure; Pattacini, Roberto; Rogez, Guillaume; Wernsdorfer, Wolfgang; Braunstein, Pierre","Synthesis of cubane-type Ni(II) complexes from pyridyl-alcohol ligands; their single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5013","5024","10.1039/c3dt32869d","","","0.71073","MoKα","","0.1021","0.0555","","","0.1402","0.1534","","","","","","0.961","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023847","15.037","0.004","15.037","0.004","40.887","0.014","90","","90","","90","","9245","5","173","2","173","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C30 H38 Cl14 N4 Ni4 O4 -","- C30 H38 Cl14 N4 Ni4 O4 -","- C240 H304 Cl112 N32 Ni32 O32 -","8","0.5","","Hameury, Sophie; Kayser, Laure; Pattacini, Roberto; Rogez, Guillaume; Wernsdorfer, Wolfgang; Braunstein, Pierre","Synthesis of cubane-type Ni(II) complexes from pyridyl-alcohol ligands; their single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5013","5024","10.1039/c3dt32869d","","x-ray","0.71073","MoKα","","0.1354","0.0528","","","0.1287","0.1796","","","","","","0.979","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023848","12.8999","0.0004","13.8702","0.0004","16.8384","0.0006","80.868","0.002","72.476","0.002","72.69","0.002","2734.94","0.16","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H62 Cl10 N4 Ni4 O8 -","- C39 H62 Cl10 N4 Ni4 O8 -","- C78 H124 Cl20 N8 Ni8 O16 -","2","1","","Hameury, Sophie; Kayser, Laure; Pattacini, Roberto; Rogez, Guillaume; Wernsdorfer, Wolfgang; Braunstein, Pierre","Synthesis of cubane-type Ni(II) complexes from pyridyl-alcohol ligands; their single-molecule magnet behaviour.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5013","5024","10.1039/c3dt32869d","","x-ray","0.71073","MoKα","","0.0956","0.0493","","","0.1104","0.1501","","","","","","1.062","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023849","8.9631","0.0005","10.8459","0.0006","15.7706","0.0008","86.897","0.004","79.499","0.004","69.104","0.004","1408.19","0.14","296","","296","","","","","","","","","7","P -1","-P 1","2","","","","- C53 H72 Cl4 N4 O5 Ru2 S2 -","- C53 H72 Cl4 N4 O5 Ru2 S2 -","- C53 H72 Cl4 N4 O5 Ru2 S2 -","1","0.5","","Dayan, Serkan; Kalaycıoğlu, Nilgün Özpozan; Dayan, Osman; Özdemir, Namık; Dinçer, Muharrem; Büyükgüngör, Orhan","Synthesis and characterization of SiO2-supported ruthenium complexes containing aromatic sulfonamides: as catalysts for transfer hydrogenation of acetophenone.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4957","4969","10.1039/c3dt32876g","","","0.71073","MoKα","","0.044","0.0315","","","0.0758","0.0793","","","","","","1.035","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023850","10.4066","0.0005","13.3274","0.0006","18.0147","0.001","90","","112.566","0.004","90","","2307.2","0.2","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cl2 N2 O2 Ru S -","- C22 H26 Cl2 N2 O2 Ru S -","- C88 H104 Cl8 N8 O8 Ru4 S4 -","4","1","","Dayan, Serkan; Kalaycıoğlu, Nilgün Özpozan; Dayan, Osman; Özdemir, Namık; Dinçer, Muharrem; Büyükgüngör, Orhan","Synthesis and characterization of SiO2-supported ruthenium complexes containing aromatic sulfonamides: as catalysts for transfer hydrogenation of acetophenone.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4957","4969","10.1039/c3dt32876g","","","0.71073","MoKα","","0.0446","0.0285","","","0.0552","0.0582","","","","","","1.007","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023851","10.8448","0.0003","15.2091","0.0006","17.3707","0.0005","90","","116.359","0.002","90","","2567.23","0.15","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Cl2 N2 O3.5 Ru S -","- C23 H28 Cl2 N2 O3 Ru S -","- C92 H112 Cl8 N8 O12 Ru4 S4 -","4","1","","Dayan, Serkan; Kalaycıoğlu, Nilgün Özpozan; Dayan, Osman; Özdemir, Namık; Dinçer, Muharrem; Büyükgüngör, Orhan","Synthesis and characterization of SiO2-supported ruthenium complexes containing aromatic sulfonamides: as catalysts for transfer hydrogenation of acetophenone.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","4957","4969","10.1039/c3dt32876g","","","0.71073","MoKα","","0.0567","0.0341","","","0.0672","0.0719","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023852","12.77","0.004","18.183","0.006","15.616","0.005","90","","100.262","0.005","90","","3568","2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 N8 Ni4 O32 Pr2 -","- C60 H74 N8 Ni4 O32 Pr2 -","- C120 H148 N16 Ni8 O64 Pr4 -","2","0.5","","Liu, Baolin; Liu, Qingxia; Xiao, Hongping; Zhang, Wu; Tao, Ruojie","Family of dumbbell Ni4Ln2 (Ln = Pr, Sm, Eu, Gd, Tb, Ho, Er) complexes: syntheses, structures, luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5047","5055","10.1039/c3dt32935f","","","0.71073","MoKα","","0.0914","0.0524","","","0.113","0.1234","","","","","","0.986","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023853","12.7048","0.0006","18.1777","0.0009","15.5866","0.0008","90","","99.987","0.001","90","","3545.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H150 N16 Ni8 O65 Sm4 -","- C120 H150 N16 Ni8 O65 Sm4 -","- C120 H150 N16 Ni8 O65 Sm4 -","1","0.25","","Liu, Baolin; Liu, Qingxia; Xiao, Hongping; Zhang, Wu; Tao, Ruojie","Family of dumbbell Ni4Ln2 (Ln = Pr, Sm, Eu, Gd, Tb, Ho, Er) complexes: syntheses, structures, luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5047","5055","10.1039/c3dt32935f","","","0.71073","MoKα","","0.0519","0.0341","","","0.0794","0.0856","","","","","","1.026","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023854","12.703","0.003","18.339","0.005","15.578","0.004","90","","98.101","0.004","90","","3592.8","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Eu2 N8 Ni4 O33 -","- C60 H76 Eu2 N8 Ni4 O33 -","- C120 H152 Eu4 N16 Ni8 O66 -","2","0.5","","Liu, Baolin; Liu, Qingxia; Xiao, Hongping; Zhang, Wu; Tao, Ruojie","Family of dumbbell Ni4Ln2 (Ln = Pr, Sm, Eu, Gd, Tb, Ho, Er) complexes: syntheses, structures, luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5047","5055","10.1039/c3dt32935f","","","0.71073","MoKα","","0.054","0.0415","","","0.1191","0.13","","","","","","1.064","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023855","12.6435","0.0013","18.3018","0.0019","15.4157","0.0016","90","","96.424","0.002","90","","3544.8","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 N8 Ni4 O32 Tb2 -","- C60 H74 N8 Ni4 O32 Tb2 -","- C120 H148 N16 Ni8 O64 Tb4 -","2","0.5","","Liu, Baolin; Liu, Qingxia; Xiao, Hongping; Zhang, Wu; Tao, Ruojie","Family of dumbbell Ni4Ln2 (Ln = Pr, Sm, Eu, Gd, Tb, Ho, Er) complexes: syntheses, structures, luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5047","5055","10.1039/c3dt32935f","","","0.71073","MoKα","","0.0513","0.0378","","","0.1043","0.1102","","","","","","1.058","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023856","12.662","0.001","18.1513","0.0014","15.5428","0.0012","90","","99.779","0.001","90","","3520.3","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 Gd2 N8 Ni4 O32 -","- C60 H74 Gd2 N8 Ni4 O32 -","- C120 H148 Gd4 N16 Ni8 O64 -","2","0.5","","Liu, Baolin; Liu, Qingxia; Xiao, Hongping; Zhang, Wu; Tao, Ruojie","Family of dumbbell Ni4Ln2 (Ln = Pr, Sm, Eu, Gd, Tb, Ho, Er) complexes: syntheses, structures, luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5047","5055","10.1039/c3dt32935f","","","0.71073","MoKα","","0.0479","0.0306","","","0.0666","0.071","","","","","","1.011","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023857","12.636","0.004","18.317","0.005","15.566","0.005","90","","98.222","0.005","90","","3565.8","1.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H76 Ho2 N8 Ni4 O32 -","- C61 H76 Ho2 N8 Ni4 O32 -","- C122 H152 Ho4 N16 Ni8 O64 -","2","0.5","","Liu, Baolin; Liu, Qingxia; Xiao, Hongping; Zhang, Wu; Tao, Ruojie","Family of dumbbell Ni4Ln2 (Ln = Pr, Sm, Eu, Gd, Tb, Ho, Er) complexes: syntheses, structures, luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5047","5055","10.1039/c3dt32935f","","","0.71073","MoKα","","0.0449","0.0308","","","0.0705","0.0746","","","","","","1.003","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023858","12.596","0.002","18.121","0.003","15.466","0.003","90","","99.104","0.003","90","","3485.7","1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H146 Er4 N16 Ni8 O63 -","- C120 H146 Er4 N16 Ni8 O63 -","- C120 H146 Er4 N16 Ni8 O63 -","1","0.25","","Liu, Baolin; Liu, Qingxia; Xiao, Hongping; Zhang, Wu; Tao, Ruojie","Family of dumbbell Ni4Ln2 (Ln = Pr, Sm, Eu, Gd, Tb, Ho, Er) complexes: syntheses, structures, luminescent and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5047","5055","10.1039/c3dt32935f","","","0.71073","MoKα","","0.0619","0.0369","","","0.0824","0.089","","","","","","0.993","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023859","11.208","0.0008","14.1464","0.001","16.761","0.001","101.908","0.005","90.361","0.006","111.658","0.006","2406.8","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[ReO(mptsc)(SCN)]","(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''-methylphenylcarbothioamide) benzamidineto)(isothiocyanate)oxorhenium(V)","","- C21 H23 N6 O Re S3 -","- C21 H23 N6 O Re S3 -","- C84 H92 N24 O4 Re4 S12 -","4","2","","Maia, Pedro I da S; Nguyen, Hung Huy; Hagenbach, Adelheid; Bergemann, Silke; Gust, Ronald; Deflon, Victor M.; Abram, Ulrich","Rhenium mixed-ligand complexes with S,N,S-tridentate thiosemicarbazone/thiosemicarbazide ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5111","5121","10.1039/c3dt32950j","","","0.71073","MoKα","","0.0912","0.0431","","","0.0872","0.1067","","","","","","0.824","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023860","9.336","0.005","11.117","0.005","11.842","0.005","90","0.005","102.937","0.005","90","0.005","1197.9","1","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","[ReO(Aztsc)(SCN)]","(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''-hexamethylenecarbo thioamide)benzamidineto)(isothiocyanate)oxorhenium(V)","","- C20 H27 N6 O Re S3 -","- C20 H27 N6 O Re S3 -","- C40 H54 N12 O2 Re2 S6 -","2","1","","Maia, Pedro I da S; Nguyen, Hung Huy; Hagenbach, Adelheid; Bergemann, Silke; Gust, Ronald; Deflon, Victor M.; Abram, Ulrich","Rhenium mixed-ligand complexes with S,N,S-tridentate thiosemicarbazone/thiosemicarbazide ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5111","5121","10.1039/c3dt32950j","","","0.71069","MoKα","","0.093","0.0582","","","0.1356","0.1972","","","","","","0.997","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023861","9.9759","0.0006","10.7569","0.0007","21.8824","0.0014","90","","91.531","0.001","90","","2347.4","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[ReO(mptsc)(CN)]","(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''-methylphenylcarbothioamide) benzamidineto)(cyanate)oxorhenium(V)","","- C21 H23 N6 O Re S2 -","- C21 H23 N6 O Re S2 -","- C84 H92 N24 O4 Re4 S8 -","4","1","","Maia, Pedro I da S; Nguyen, Hung Huy; Hagenbach, Adelheid; Bergemann, Silke; Gust, Ronald; Deflon, Victor M.; Abram, Ulrich","Rhenium mixed-ligand complexes with S,N,S-tridentate thiosemicarbazone/thiosemicarbazide ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5111","5121","10.1039/c3dt32950j","","","0.71073","MoKα","","0.0709","0.0601","","","0.1524","0.1675","","","","","","1.056","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023862","14.2273","0.0015","12.9103","0.0009","14.6062","0.0018","90","","93.981","0.001","90","","2676.4","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[ReO(HAztsc)(SCN)2]","(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''-hexamethylene-carbothioamide)benzamidineto)(diisothiocyanate)oxorhenium(V)","","- C21 H28 N7 O Re S4 -","- C21 H28 N7 O Re S4 -","- C84 H112 N28 O4 Re4 S16 -","4","1","","Maia, Pedro I da S; Nguyen, Hung Huy; Hagenbach, Adelheid; Bergemann, Silke; Gust, Ronald; Deflon, Victor M.; Abram, Ulrich","Rhenium mixed-ligand complexes with S,N,S-tridentate thiosemicarbazone/thiosemicarbazide ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5111","5121","10.1039/c3dt32950j","","","0.71073","MoKα","","0.1677","0.0526","","","0.1127","0.1984","","","","","","0.792","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023863","8.551","0.001","14.471","0.001","24.043","0.002","76.67","0.01","83.92","0.01","89.56","0.01","2878.2","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''-hexamethylenecarbothioamide) benzamidineto)(isothiocyanato)(dimethylsufoxide)oxorhenium(V)","","- C22 H33 N6 O2 Re S4 -","- C22 H33 N6 O2 Re S4 -","- C88 H132 N24 O8 Re4 S16 -","4","2","","Maia, Pedro I da S; Nguyen, Hung Huy; Hagenbach, Adelheid; Bergemann, Silke; Gust, Ronald; Deflon, Victor M.; Abram, Ulrich","Rhenium mixed-ligand complexes with S,N,S-tridentate thiosemicarbazone/thiosemicarbazide ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5111","5121","10.1039/c3dt32950j","","","0.71073","MoKα","","0.1135","0.0497","","","0.0952","0.1205","","","","","","0.867","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023864","8.25","0.001","12.778","0.002","13.083","0.002","81.51","0.01","74.67","0.01","78.56","0.01","1297.1","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","[{ReN(L1d)}2(O)]","mu-(oxo)bis[(N-(N'',N''-diethylaminothiocarbonyl)-N'(N''', N'''-hexamethylenecarbothioamide)benzamidineto)nitridorhenium(V)]","","- C40 H60 Cl4 N12 O Re2 S4 -","- C40 H60 Cl4 N12 O Re2 S4 -","- C40 H60 Cl4 N12 O Re2 S4 -","1","0.5","","Maia, Pedro I da S; Nguyen, Hung Huy; Hagenbach, Adelheid; Bergemann, Silke; Gust, Ronald; Deflon, Victor M.; Abram, Ulrich","Rhenium mixed-ligand complexes with S,N,S-tridentate thiosemicarbazone/thiosemicarbazide ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5111","5121","10.1039/c3dt32950j","","","0.71073","MoKα","","0.0567","0.042","","","0.1061","0.1201","","","","","","0.894","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023865","8.2241","0.0007","11.7497","0.0008","20.5128","0.0017","93.909","0.006","99.602","0.007","93.003","0.006","1945.7","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","[ReO(L4)(Ph2btu)]","","","- C39 H42 N7 O2 Re S3 -","- C39 H42 N7 O2 Re S3 -","- C78 H84 N14 O4 Re2 S6 -","2","1","","Maia, Pedro I da S; Nguyen, Hung Huy; Hagenbach, Adelheid; Bergemann, Silke; Gust, Ronald; Deflon, Victor M.; Abram, Ulrich","Rhenium mixed-ligand complexes with S,N,S-tridentate thiosemicarbazone/thiosemicarbazide ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5111","5121","10.1039/c3dt32950j","","","0.71073","MoKα","","0.1017","0.0569","","","0.1196","0.143","","","","","","0.979","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023866","14.5286","0.0004","20.8778","0.0007","22.757","0.0006","90","","90","","90","","6902.8","0.4","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C105.5 H98 Cr4 Mn8 N10 O69 -","- C105.284 H97.852 Cr4 Mn8 N10 O69 -","- C210.568 H195.704 Cr8 Mn16 N20 O138 -","2","0.5","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici","2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of Mn(III)-salen type complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5100","5110","10.1039/c3dt32996h","","","0.71073","MoKα","","0.1574","0.0445","","","0.082","0.0944","","","","","","0.685","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023867","9.5551","0.0005","11.8076","0.0005","15.8509","0.0008","101.42","0.004","95.207","0.004","93.581","0.004","1739.77","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Cr Mn2 N3 O16 -","- C30 H32 Cr Mn2 N3 O16 -","- C60 H64 Cr2 Mn4 N6 O32 -","2","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici","2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of Mn(III)-salen type complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5100","5110","10.1039/c3dt32996h","","","0.71073","MoKα","","0.191","0.0576","","","0.0861","0.1023","","","","","","0.716","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023868","9.2943","0.0003","32.5932","0.001","11.8266","0.0005","90","","90.608","0.003","90","","3582.4","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C116 H109 Cr4 Mn8 N17 O62 -","- C116 H109 Cr4 Mn8 N17 O62 -","- C116 H109 Cr4 Mn8 N17 O62 -","1","0.5","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici","2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of Mn(III)-salen type complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5100","5110","10.1039/c3dt32996h","","","0.71073","MoKα","","0.1423","0.0455","","","0.0773","0.0881","","","","","","0.697","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023869","15.2933","0.0009","15.5985","0.0008","18.1942","0.0006","64.685","0.004","77.986","0.004","61.077","0.006","3434.1","0.4","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C103 H67 Cl3 Cr4 Mn8 N8 O66 -","- C102.5 H67 Cl3 Cr4 Mn8 N8 O66 -","- C102.5 H67 Cl3 Cr4 Mn8 N8 O66 -","1","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici","2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of Mn(III)-salen type complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5100","5110","10.1039/c3dt32996h","","","0.71073","MoKα","","0.0766","0.0539","","","0.1342","0.1415","","","","","","0.943","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023870","9.2926","0.0003","32.5571","0.0012","11.806","0.0004","90","","90.596","0.003","90","","3571.6","0.2","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C116 H109 Cr4 Mn8 N17 O62 -","- C116 H109 Cr4 Mn8 N17 O62 -","- C116 H109 Cr4 Mn8 N17 O62 -","1","0.5","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici","2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of Mn(III)-salen type complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5100","5110","10.1039/c3dt32996h","","","0.71073","MoKα","","0.0969","0.0591","","","0.1204","0.1421","","","","","","1.019","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023871","15.278","0.0008","15.56","0.0007","18.174","0.001","64.665","0.005","78.123","0.005","61.048","0.005","3416.9","0.4","120","2","120","2","","","","","","","","7","P 1","P 1","1","","","","- C103 H91 Cl3 Cr4 Mn8 N8 O66 -","- C103 H91 Cl3 Cr4 Mn8 N8 O66 -","- C103 H91 Cl3 Cr4 Mn8 N8 O66 -","1","1","","Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici","2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of Mn(III)-salen type complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","14","5100","5110","10.1039/c3dt32996h","","","0.71073","MoKα","","0.1206","0.0777","","","0.1964","0.2415","","","","","","1.031","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023872","12.9482","0.0005","13.3888","0.0005","17.337","0.0006","101.641","0.003","96.36","0.003","114.494","0.004","2614.3","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H39 N11 O4.5 Os P Ru -","- C55 H39 N11 O4.5 Os P Ru -","- C110 H78 N22 O9 Os2 P2 Ru2 -","2","1","","Cadranel, Alejandro; Aramburu Trošelj, Bruno M; Yamazaki, Shiori; Alborés, Pablo; Kleiman, Valeria D.; Baraldo, Luis M.","Emissive cyanide-bridged bimetallic compounds as building blocks for polymeric antennae.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16723","16732","10.1039/c3dt51164b","","","0.7107","MoKα","","0.0535","0.0375","","","0.0993","0.1113","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023873","11.1651","0.0003","13.455","0.0003","19.2621","0.0005","88.288","0.002","76.516","0.002","81.877","0.002","2785.67","0.12","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H38 N14 O5 Os P Ru -","- C50 H38 N14 O5 Os P Ru -","- C100 H76 N28 O10 Os2 P2 Ru2 -","2","1","","Cadranel, Alejandro; Aramburu Trošelj, Bruno M; Yamazaki, Shiori; Alborés, Pablo; Kleiman, Valeria D.; Baraldo, Luis M.","Emissive cyanide-bridged bimetallic compounds as building blocks for polymeric antennae.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16723","16732","10.1039/c3dt51164b","","","0.71069","MoKα","","0.1126","0.0491","","","0.1006","0.1105","","","","","","0.834","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023874","13.8415","0.0011","17.7504","0.0011","22.213","0.002","90","","101.602","0.009","90","","5346.1","0.7","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H38 F12 N11 O3 P2 Ru2 -","- C47 H38 F12 N11 O3 P2 Ru2 -","- C188 H152 F48 N44 O12 P8 Ru8 -","4","1","","Cadranel, Alejandro; Aramburu Trošelj, Bruno M; Yamazaki, Shiori; Alborés, Pablo; Kleiman, Valeria D.; Baraldo, Luis M.","Emissive cyanide-bridged bimetallic compounds as building blocks for polymeric antennae.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16723","16732","10.1039/c3dt51164b","","","0.71069","MoKα","","0.2242","0.0998","","","0.2135","0.2951","","","","","","1.029","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023875","11.8563","0.0009","8.1225","0.0005","23.6634","0.0017","90","","93.544","0.003","90","","2274.5","0.3","173","1","173","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 N4 O2 Pt S2 -","- C44 H40 N4 O2 Pt S2 -","- C88 H80 N8 O4 Pt2 S4 -","2","0.5","","Liang, Qian; Chong, Jonathan H.; White, Nicholas G.; Zhao, Zhen; Maclachlan, Mark J.","Towards a self-assembled honeycomb structure via diaminotriptycene metal complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16474","16477","10.1039/c3dt51330k","","","0.71073","MoKα","","0.0481","0.0372","","","0.0944","0.0987","","","","","","1.084","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023876","10.4324","0.0007","11.6012","0.0007","13.6076","0.0008","68.481","0.002","72.324","0.003","82.668","0.003","1459.53","0.16","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H33 O4 Sb -","- C36 H33 O4 Sb -","- C72 H66 O8 Sb2 -","2","1","","Ali, Muhammad Irshad; Rauf, Muhammad Khawar; Badshah, Amin; Kumar, Ish; Forsyth, Craig M.; Junk, Peter C.; Kedzierski, Lukasz; Andrews, Philip C.","Anti-leishmanial activity of heteroleptic organometallic Sb(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16733","16741","10.1039/c3dt51382c","","","0.71073","MoKα","","0.0236","0.0208","","","0.0473","0.0486","","","","","","1.054","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023877","10.1207","0.0003","12.3148","0.0004","18.123","0.0006","73.546","0.003","76.307","0.003","78.578","0.002","2083.78","0.12","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C44.5 H47 O10 Sb -","- C44.5 H47 O10 Sb -","- C89 H94 O20 Sb2 -","2","1","","Ali, Muhammad Irshad; Rauf, Muhammad Khawar; Badshah, Amin; Kumar, Ish; Forsyth, Craig M.; Junk, Peter C.; Kedzierski, Lukasz; Andrews, Philip C.","Anti-leishmanial activity of heteroleptic organometallic Sb(v) compounds.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16733","16741","10.1039/c3dt51382c","","","0.71073","MoKα","","0.0445","0.0315","","","0.0651","0.0723","","","","","","1.068","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023878","12.6935","0.0018","9.33","0.0012","13.2778","0.0017","90","","95.55","0.01","90","","1565.1","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N S -","- C22 H15 N S -","- C88 H60 N4 S4 -","4","1","","Banerjee, Arnab; Sahana, Animesh; Das, Sudipta; Lohar, Sisir; Sarkar, Bidisha; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Das, Debasis","An INHIBIT logic gate from a thiophene derivative using iron and zinc ions as the input: tuning the efficiency on moving from naphthalene to anthracene to pyrene for the green luminescent detection of the intracellular iron.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16387","16395","10.1039/c3dt51593a","","x-ray","0.7107","MoKα","","0.1002","0.0572","","","0.1206","0.1421","","","","","","1.045","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023879","4.3718","0.0004","13.1396","0.0012","25.912","0.002","90","","93.433","0.005","90","","1485.8","0.2","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N S -","- C20 H15 N S -","- C80 H60 N4 S4 -","4","1","","Banerjee, Arnab; Sahana, Animesh; Das, Sudipta; Lohar, Sisir; Sarkar, Bidisha; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Das, Debasis","An INHIBIT logic gate from a thiophene derivative using iron and zinc ions as the input: tuning the efficiency on moving from naphthalene to anthracene to pyrene for the green luminescent detection of the intracellular iron.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16387","16395","10.1039/c3dt51593a","","x-ray","0.7107","MoKα","","0.0584","0.0374","","","0.085","0.0955","","","","","","1.039","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023880","15.771","0.002","15.374","0.002","10.6099","0.0017","90","","104.882","0.002","90","","2486.2","0.6","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 Cl2 K O24 Ru2 Zn2 -","- C4 Cl2 K O24 Ru2 Zn2 -","- C16 Cl8 K4 O96 Ru8 Zn8 -","4","0.5","","Liu, Bin; Jia, Yan-Yan; Yang, Huai-Qing; Yang, Jian-Hui; Xue, Gang-Lin","Incorporation of M(H2O)6(2+) between layers {M(H2O)2Ru2(CO3)4Cl2}n(2n-) (M = Zn, Mn): syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16742","16748","10.1039/c3dt51612a","","","0.71073","MoKα","","0.0391","0.0308","","","0.0951","0.1135","","","","","","1.077","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023881","15.943","0.003","15.564","0.003","10.689","0.002","90","","104.867","0.003","90","","2563.5","0.8","296","2","296","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C4 Cl2 K Mn2 O24 Ru2 -","- C4 Cl2 K Mn2 O24 Ru2 -","- C16 Cl8 K4 Mn8 O96 Ru8 -","4","0.5","","Liu, Bin; Jia, Yan-Yan; Yang, Huai-Qing; Yang, Jian-Hui; Xue, Gang-Lin","Incorporation of M(H2O)6(2+) between layers {M(H2O)2Ru2(CO3)4Cl2}n(2n-) (M = Zn, Mn): syntheses, structures and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16742","16748","10.1039/c3dt51612a","","","0.71073","MoKα","","0.0587","0.0549","","","0.1565","0.1618","","","","","","1.112","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023882","10.1575","0.0003","24.1596","0.0008","11.0644","0.0003","90","","103.211","0.003","90","","2643.36","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Cu N2 O3 -","- C24 H42 Cu N2 O3 -","- C96 H168 Cu4 N8 O12 -","4","1","","Kumar, Vikash; Kalita, Aswini; Mondal, Biplab","Phenol ring nitration induced by the unprecedented reduction of the Cu(ii) centre by nitrogen dioxide.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16264","16267","10.1039/c3dt51642c","","","0.71073","MoKα","","0.0677","0.046","","","0.1338","0.1571","","","","","","0.955","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023883","9.8751","0.0013","13.671","0.002","14.078","0.002","98.778","0.008","104.531","0.008","96.777","0.008","1793.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H58 Cu N2 O4 -","- C36 H58 Cu N2 O4 -","- C72 H116 Cu2 N4 O8 -","2","1","","Kumar, Vikash; Kalita, Aswini; Mondal, Biplab","Phenol ring nitration induced by the unprecedented reduction of the Cu(ii) centre by nitrogen dioxide.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16264","16267","10.1039/c3dt51642c","","","0.71073","MoKα","","0.0671","0.0477","","","0.1045","0.1107","","","","","","0.986","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023884","15.3347","0.0006","10.3571","0.0007","21.7602","0.001","90","","99.939","0.004","90","","3404.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 N2 O2 -","- C34 H56 N2 O2 -","- C136 H224 N8 O8 -","4","1","","Kumar, Vikash; Kalita, Aswini; Mondal, Biplab","Phenol ring nitration induced by the unprecedented reduction of the Cu(ii) centre by nitrogen dioxide.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16264","16267","10.1039/c3dt51642c","","","0.71073","MoKα","","0.0867","0.06","","","0.1579","0.1838","","","","","","1.059","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023885","15.5224","0.0011","9.7342","0.0009","19.2871","0.0012","90","","105.076","0.007","90","","2813.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 N4 O6 -","- C26 H38 N4 O6 -","- C104 H152 N16 O24 -","4","1","","Kumar, Vikash; Kalita, Aswini; Mondal, Biplab","Phenol ring nitration induced by the unprecedented reduction of the Cu(ii) centre by nitrogen dioxide.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16264","16267","10.1039/c3dt51642c","","","0.71073","MoKα","","0.1532","0.0895","","","0.1386","0.1624","","","","","","1.434","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023886","5.7585","0.0009","10.0664","0.0016","16.847","0.003","90","","96.071","0.002","90","","971.1","0.3","195","2","195","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl2 N O Pd Se2 -","- C16 H21 Cl2 N O Pd Se2 -","- C32 H42 Cl4 N2 O2 Pd2 Se4 -","2","1","","Kumar, Satyendra; Rao, Gyandshwar K.; Kumar, Arun; Singh, Mahabir P.; Singh, Ajai Kumar","Palladium(ii)-(E,N,E) pincer ligand (E = S/Se/Te) complex catalyzed Suzuki coupling reactions in water via in situ generated palladium quantum dots.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16939","16948","10.1039/c3dt51658j","","","0.71073","MoKα","","0.0216","0.0206","","","0.0465","0.0468","","","","","","0.871","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023887","18.5","0.002","10.3779","0.0014","37.183","0.005","90","","98.127","0.003","90","","7067.1","1.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 Cl2 N O3 Pd Te2 -","- C18 H25 Cl2 N O3 Pd Te2 -","- C216 H300 Cl24 N12 O36 Pd12 Te24 -","12","3","","Kumar, Satyendra; Rao, Gyandshwar K.; Kumar, Arun; Singh, Mahabir P.; Singh, Ajai Kumar","Palladium(ii)-(E,N,E) pincer ligand (E = S/Se/Te) complex catalyzed Suzuki coupling reactions in water via in situ generated palladium quantum dots.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16939","16948","10.1039/c3dt51658j","","","0.71073","MoKα","","0.1492","0.1153","","","0.1889","0.2014","","","","","","1.339","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023888","11.177","0.0003","13.241","0.0004","15.164","0.0005","64.633","0.0015","88.474","0.0015","72.643","0.0015","1922.11","0.11","230","0.1","230","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H50 Cl2 N4 O2 Si4 Zr -","- C28 H50 Cl2 N4 O2 Si4 Zr -","- C56 H100 Cl4 N8 O4 Si8 Zr2 -","2","1","","Aharonovich, Sinai; Kulkarni, Naveen V.; Zhang, Jia-Sheng; Botoshansky, Mark; Kapon, Moshe; Eisen, Moris S.","Polymerization of propylene promoted by zirconium benzamidinates.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16762","16772","10.1039/c3dt51688a","","","0.71073","MoKα","","0.0669","0.0415","","","0.1094","0.1164","","","","","","0.969","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023889","28.354","0.0011","8.849","0.0005","20.408","0.001","90","","128.046","0.003","90","","4032.4","0.4","230","0.1","230","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H54 Cl2 N4 Si4 Zr -","- C30 H54 Cl2 N4 Si4 Zr -","- C120 H216 Cl8 N16 Si16 Zr4 -","4","0.5","","Aharonovich, Sinai; Kulkarni, Naveen V.; Zhang, Jia-Sheng; Botoshansky, Mark; Kapon, Moshe; Eisen, Moris S.","Polymerization of propylene promoted by zirconium benzamidinates.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16762","16772","10.1039/c3dt51688a","","","0.71073","MoKα","","0.0648","0.0402","","","0.0957","0.101","","","","","","0.941","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023890","18.858","0.0002","22.13","0.0003","32.63","0.0004","90","","98.515","0.0011","90","","13467.3","0.3","230","0.1","230","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H62 Cl2 N4 Si4 Zr -","- C34 H62 Cl2 N4 Si4 Zr -","- C408 H744 Cl24 N48 Si48 Zr12 -","12","3","","Aharonovich, Sinai; Kulkarni, Naveen V.; Zhang, Jia-Sheng; Botoshansky, Mark; Kapon, Moshe; Eisen, Moris S.","Polymerization of propylene promoted by zirconium benzamidinates.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16762","16772","10.1039/c3dt51688a","","","0.71073","MoKα","","0.1379","0.0584","","","0.14","0.164","","","","","","0.979","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023891","19.409","0.002","11.811","0.0014","17.587","0.0017","90","","93.611","0.008","90","","4023.6","0.7","230","0.1","230","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Cl2 N4 O2 Si4 Zr -","- C29.04 H50 Cl2 N4 O2 Si4 Zr -","- C116.16 H200 Cl8 N16 O8 Si16 Zr4 -","4","1","","Aharonovich, Sinai; Kulkarni, Naveen V.; Zhang, Jia-Sheng; Botoshansky, Mark; Kapon, Moshe; Eisen, Moris S.","Polymerization of propylene promoted by zirconium benzamidinates.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16762","16772","10.1039/c3dt51688a","","","0.71073","MoKα","","0.1258","0.0565","","","0.139","0.1557","","","","","","0.833","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023892","11.729","0.0004","17.886","0.0006","18.894","0.0007","90","","92.647","0.0013","90","","3959.4","0.2","230","0.1","230","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H50 Cl2 N4 O2 Si4 Zr -","- C28 H50 Cl2 N4 O2 Si4 Zr -","- C112 H200 Cl8 N16 O8 Si16 Zr4 -","4","1","","Aharonovich, Sinai; Kulkarni, Naveen V.; Zhang, Jia-Sheng; Botoshansky, Mark; Kapon, Moshe; Eisen, Moris S.","Polymerization of propylene promoted by zirconium benzamidinates.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16762","16772","10.1039/c3dt51688a","","","0.71073","MoKα","","0.062","0.0392","","","0.0819","0.0887","","","","","","1.043","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023893","10.55","0.0002","10.7458","0.0002","11.6084","0.0002","85.1863","0.0009","87.7739","0.0009","65.2832","0.0008","1191.23","0.04","150","","150","","","","101","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cl N2 O11 Re -","- C21 H18 Cl N2 O11 Re -","- C42 H36 Cl2 N4 O22 Re2 -","2","1","","Hill, Leila R.; Blackburn, Octavia A.; Jones, Michael W.; Tropiano, Manuel; Sørensen, Thomas Just; Faulkner, Stephen","Ternary self-assemblies in water: forming a pentanuclear ReLn4 assembly by association of binuclear lanthanide binding pockets with fac-Re(CO)3(dinicotinate)2Cl.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16255","16258","10.1039/c3dt51705e","","","0.71073","MoKα","","0.079","0.0732","","0.2104","0.2078","0.2104","","","","","","1.0994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023894","22","0.004","15","0.003","24","0.005","90","","90","","90","","7920","3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H46 N12 Ni O41 V W12 -","- C42 H38 N12 Ni O41 V W12 -","- C168 H152 N48 Ni4 O164 V4 W48 -","4","0.5","","Lan, Qing; Zhang, Jun; Zhang, Zhi-Ming; Lu, Ying; Wang, En-Bo","Two three-dimensional porous frameworks built from metal-organic coordination polymer sheets pillared by polyoxometalate clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16602","16607","10.1039/c3dt51722e","","","0.71073","MoKα","","0.083","0.0671","","","0.169","0.1779","","","","","","1.1","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023895","22.024","0.004","15.065","0.003","24.12","0.005","90","","90","","90","","8003","3","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H48 Co N12 O42 V W12 -","- C42 H28 Co N12 O42 V W12 -","- C168 H112 Co4 N48 O168 V4 W48 -","4","0.5","","Lan, Qing; Zhang, Jun; Zhang, Zhi-Ming; Lu, Ying; Wang, En-Bo","Two three-dimensional porous frameworks built from metal-organic coordination polymer sheets pillared by polyoxometalate clusters.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16602","16607","10.1039/c3dt51722e","","","0.71073","MoKα","","0.0915","0.0784","","","0.1951","0.2023","","","","","","1.101","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023896","12.853","0.004","14.55","0.005","22.905","0.008","86.152","0.013","82.553","0.013","64.101","0.008","3821","2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H128 N4 Ni14 O170 P4 W30 -","- C20 H16 N4 Ni14 O170 P4 W30 -","- C20 H16 N4 Ni14 O170 P4 W30 -","1","0.5","","Liu, Yong-Chao; Fu, Chun-Hua; Zheng, Shou-Tian; Zhao, Jun-Wei; Yang, Guo-Yu","Hexa-substituted polyoxometalates made of trivacant Dawson {P2W15} fragments and {Ni6} clusters under hydrothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16676","16679","10.1039/c3dt51786a","","","0.71073","MoKα","","0.0771","0.0548","","","0.1321","0.1473","","","","","","1.031","","","","has coordinates","179943","2020-10-21","18:00:00",""
"7023897","14.85","0.005","17.906","0.006","28.881","0.01","90","","95.649","0.005","90","","7642","4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H60 N9 Ni6 O66.5 P2 W15 -","- C12 N9 Ni6 O66.5 P2 W15 -","- C48 N36 Ni24 O266 P8 W60 -","4","1","","Liu, Yong-Chao; Fu, Chun-Hua; Zheng, Shou-Tian; Zhao, Jun-Wei; Yang, Guo-Yu","Hexa-substituted polyoxometalates made of trivacant Dawson {P2W15} fragments and {Ni6} clusters under hydrothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16676","16679","10.1039/c3dt51786a","","","0.71073","MoKα","","0.1242","0.0844","","","0.203","0.2311","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023898","14.221","0.007","18.116","0.01","28.841","0.015","90","","86.547","0.011","90","","7417","7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H67 N10 Ni7 O70.5 P2 W15 -","- C10 N10 Ni7 O70.5 P2 W15 -","- C40 N40 Ni28 O282 P8 W60 -","4","1","","Liu, Yong-Chao; Fu, Chun-Hua; Zheng, Shou-Tian; Zhao, Jun-Wei; Yang, Guo-Yu","Hexa-substituted polyoxometalates made of trivacant Dawson {P2W15} fragments and {Ni6} clusters under hydrothermal conditions.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16676","16679","10.1039/c3dt51786a","","","0.71073","MoKα","","0.0824","0.0669","","","0.1715","0.1847","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023899","12.8911","0.0004","13.6193","0.0004","13.7806","0.0004","70.429","0.003","65.864","0.003","85.283","0.002","2076.14","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H110 Cu2 Fe2 N4 O26 S10 -","- C64 H110 Cu2 Fe2 N4 O26 S10 -","- C64 H110 Cu2 Fe2 N4 O26 S10 -","1","0.5","","Nesterova, Oksana V.; Chygorin, Eduard N.; Kokozay, Vladimir N.; Bon, Volodymyr V.; Omelchenko, Irina V.; Shishkin, Oleg V.; Titiš, Ján; Boča, Roman; Pombeiro, Armando J. L.; Ozarowski, Andrew","Magnetic, high-field EPR studies and catalytic activity of Schiff base tetranuclear Cu(II)2Fe(III)2 complexes obtained by direct synthesis.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16909","16919","10.1039/c3dt51800k","","","0.71073","MoKα","","0.0951","0.0408","","","0.0482","0.0533","","","","","","0.763","","","","has coordinates,has disorder","179943","2020-10-21","18:00:00",""
"7023900","12.7243","0.0005","12.8239","0.0006","13.7739","0.0006","105.861","0.002","92.703","0.002","103.364","0.002","2088.78","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H58 Br4 Cu2 Fe2 N6 O18 -","- C50 H58 Br4 Cu2 Fe2 N6 O18 -","- C50 H58 Br4 Cu2 Fe2 N6 O18 -","1","0.5","","Nesterova, Oksana V.; Chygorin, Eduard N.; Kokozay, Vladimir N.; Bon, Volodymyr V.; Omelchenko, Irina V.; Shishkin, Oleg V.; Titiš, Ján; Boča, Roman; Pombeiro, Armando J. L.; Ozarowski, Andrew","Magnetic, high-field EPR studies and catalytic activity of Schiff base tetranuclear Cu(II)2Fe(III)2 complexes obtained by direct synthesis.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16909","16919","10.1039/c3dt51800k","","","0.71073","MoKα","","0.1324","0.0549","","","0.1111","0.1263","","","","","","0.807","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023901","10.151","0.002","16.53","0.003","12.11","0.002","90","","105.5","0.03","90","","1958.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Cl2 Fe N16 S2 -","- C36 H36 Cl2 Fe N16 S2 -","- C72 H72 Cl4 Fe2 N32 S4 -","2","0.5","","Scott, Hayley S.; Ross, Tamsyn M.; Chilton, Nicholas F.; Gass, Ian A.; Moubaraki, Boujemaa; Chastanet, Guillaume; Paradis, Nicolas; Lètard, Jean-François; Vignesh, Kuduva R.; Rajaraman, Gopalan; Batten, Stuart R.; Murray, Keith S.","Crown-linked dipyridylamino-triazine ligands and their spin-crossover iron(ii) derivatives: magnetism, photomagnetism and cooperativity.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16494","16509","10.1039/c3dt51839f","","","0.71071","synchrotron","","0.0668","0.0645","","","0.1923","0.1936","","","","","","1.161","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023902","10.3356","0.001","16.4665","0.0016","12.1715","0.001","90","","104.658","0.003","90","","2004.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Cl2 Fe N16 Se2 -","- C36 H36 Cl2 Fe N16 Se2 -","- C72 H72 Cl4 Fe2 N32 Se4 -","2","0.5","","Scott, Hayley S.; Ross, Tamsyn M.; Chilton, Nicholas F.; Gass, Ian A.; Moubaraki, Boujemaa; Chastanet, Guillaume; Paradis, Nicolas; Lètard, Jean-François; Vignesh, Kuduva R.; Rajaraman, Gopalan; Batten, Stuart R.; Murray, Keith S.","Crown-linked dipyridylamino-triazine ligands and their spin-crossover iron(ii) derivatives: magnetism, photomagnetism and cooperativity.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16494","16509","10.1039/c3dt51839f","","","0.71073","MoKα","","0.1216","0.0532","","","0.0844","0.1034","","","","","","0.971","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023903","10.664","0.002","16.148","0.003","11.932","0.002","90","","101.77","0.03","90","","2011.5","0.7","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 B2 Cl2 Fe N16 -","- C36 H42 B2 Cl2 Fe N16 -","- C72 H84 B4 Cl4 Fe2 N32 -","2","0.5","","Scott, Hayley S.; Ross, Tamsyn M.; Chilton, Nicholas F.; Gass, Ian A.; Moubaraki, Boujemaa; Chastanet, Guillaume; Paradis, Nicolas; Lètard, Jean-François; Vignesh, Kuduva R.; Rajaraman, Gopalan; Batten, Stuart R.; Murray, Keith S.","Crown-linked dipyridylamino-triazine ligands and their spin-crossover iron(ii) derivatives: magnetism, photomagnetism and cooperativity.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16494","16509","10.1039/c3dt51839f","","","0.708457","synchrotron","","0.1448","0.1213","","","0.299","0.3176","","","","","","1.052","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023904","16.646","0.003","19.181","0.004","17.078","0.003","90","","90","","90","","5452.8","1.8","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H60 Fe N18 O4 S2 -","- C48 H60 Fe N18 O4 S2 -","- C192 H240 Fe4 N72 O16 S8 -","4","0.5","","Scott, Hayley S.; Ross, Tamsyn M.; Chilton, Nicholas F.; Gass, Ian A.; Moubaraki, Boujemaa; Chastanet, Guillaume; Paradis, Nicolas; Lètard, Jean-François; Vignesh, Kuduva R.; Rajaraman, Gopalan; Batten, Stuart R.; Murray, Keith S.","Crown-linked dipyridylamino-triazine ligands and their spin-crossover iron(ii) derivatives: magnetism, photomagnetism and cooperativity.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16494","16509","10.1039/c3dt51839f","","","0.71073","MoKα","","0.1108","0.0648","","","0.1567","0.1751","","","","","","1.075","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023905","16.781","0.003","19.268","0.004","17.107","0.003","90","","90","","90","","5531.3","1.8","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H60 Fe N18 O4 Se2 -","- C48 H60 Fe N18 O4 Se2 -","- C192 H240 Fe4 N72 O16 Se8 -","4","0.5","","Scott, Hayley S.; Ross, Tamsyn M.; Chilton, Nicholas F.; Gass, Ian A.; Moubaraki, Boujemaa; Chastanet, Guillaume; Paradis, Nicolas; Lètard, Jean-François; Vignesh, Kuduva R.; Rajaraman, Gopalan; Batten, Stuart R.; Murray, Keith S.","Crown-linked dipyridylamino-triazine ligands and their spin-crossover iron(ii) derivatives: magnetism, photomagnetism and cooperativity.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16494","16509","10.1039/c3dt51839f","","","0.71073","MoKα","","0.1933","0.0855","","","0.1813","0.2171","","","","","","0.946","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023906","16.6573","0.0008","19.2632","0.0009","16.8981","0.0007","90","","90","","90","","5422.1","0.4","123","2","123","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C49 H68 B2 Cl2 Fe N18 O4 -","- C49 H68 B2 Cl2 Fe N18 O4 -","- C196 H272 B8 Cl8 Fe4 N72 O16 -","4","0.5","","Scott, Hayley S.; Ross, Tamsyn M.; Chilton, Nicholas F.; Gass, Ian A.; Moubaraki, Boujemaa; Chastanet, Guillaume; Paradis, Nicolas; Lètard, Jean-François; Vignesh, Kuduva R.; Rajaraman, Gopalan; Batten, Stuart R.; Murray, Keith S.","Crown-linked dipyridylamino-triazine ligands and their spin-crossover iron(ii) derivatives: magnetism, photomagnetism and cooperativity.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16494","16509","10.1039/c3dt51839f","","","0.71073","MoKα","","0.0984","0.0676","","","0.1839","0.2049","","","","","","1.045","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023907","10.486","0.002","12.423","0.003","13.133","0.003","71.52","0.03","72.1","0.03","66.56","0.03","1456","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Fe N22 O4 S2 -","- C60 H56 Fe N22 O4 S2 -","- C60 H56 Fe N22 O4 S2 -","1","0.5","","Scott, Hayley S.; Ross, Tamsyn M.; Chilton, Nicholas F.; Gass, Ian A.; Moubaraki, Boujemaa; Chastanet, Guillaume; Paradis, Nicolas; Lètard, Jean-François; Vignesh, Kuduva R.; Rajaraman, Gopalan; Batten, Stuart R.; Murray, Keith S.","Crown-linked dipyridylamino-triazine ligands and their spin-crossover iron(ii) derivatives: magnetism, photomagnetism and cooperativity.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16494","16509","10.1039/c3dt51839f","","","0.71073","synchrotron","","0.0543","0.0508","","","0.1334","0.1375","","","","","","1.05","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023908","10.62","0.002","12.57","0.003","13.15","0.003","70.65","0.03","71.26","0.03","65.99","0.03","1477.1","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Fe N22 O4 Se2 -","- C60 H56 Fe N22 O4 Se2 -","- C60 H56 Fe N22 O4 Se2 -","1","0.5","","Scott, Hayley S.; Ross, Tamsyn M.; Chilton, Nicholas F.; Gass, Ian A.; Moubaraki, Boujemaa; Chastanet, Guillaume; Paradis, Nicolas; Lètard, Jean-François; Vignesh, Kuduva R.; Rajaraman, Gopalan; Batten, Stuart R.; Murray, Keith S.","Crown-linked dipyridylamino-triazine ligands and their spin-crossover iron(ii) derivatives: magnetism, photomagnetism and cooperativity.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16494","16509","10.1039/c3dt51839f","","","0.71073","synchrotron","","0.0581","0.0476","","","0.1286","0.1356","","","","","","1.04","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023909","10.225","0.002","16.727","0.003","21.626","0.004","90","","90","","90","","3698.8","1.2","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","tris(diphenyltellane)silver trifluoromethylsulfonate","","- C37 H30 Ag F3 O3 S Te3 -","- C37 H30 Ag F3 O3 S Te3 -","- C148 H120 Ag4 F12 O12 S4 Te12 -","4","1","","Poropudas, Merja J.; Vigo, Ludmila; Oilunkaniemi, Raija; Laitinen, Risto S.","Versatile solid-state coordination chemistry of telluroether complexes of silver(i) and copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16868","16877","10.1039/c3dt51840j","","","0.71073","MoKα","","0.0462","0.0419","","","0.1014","0.1063","","","","","","1.049","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023910","10.768","0.002","16.439","0.003","20.769","0.004","90","","90","","90","","3676.4","1.2","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","tris(diphenyltellane)copper trifluoromethylsulfonate","","- C37 H30 Cu F3 O3 S Te3 -","- C37 H30 Cu F3 O3 S Te3 -","- C148 H120 Cu4 F12 O12 S4 Te12 -","4","1","","Poropudas, Merja J.; Vigo, Ludmila; Oilunkaniemi, Raija; Laitinen, Risto S.","Versatile solid-state coordination chemistry of telluroether complexes of silver(i) and copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16868","16877","10.1039/c3dt51840j","","","0.71073","MoKα","","0.033","0.0302","","","0.0689","0.0705","","","","","","1.061","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023911","10.785","0.002","16.192","0.003","20.157","0.004","90","","90","","90","","3520","1.2","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","tri(diphenylselane)copper trfluoromethylsulfonate","","- C37 H30 Cu F3 O3 S Se3 -","- C37 H30 Cu F3 O3 S Se3 -","- C148 H120 Cu4 F12 O12 S4 Se12 -","4","1","","Poropudas, Merja J.; Vigo, Ludmila; Oilunkaniemi, Raija; Laitinen, Risto S.","Versatile solid-state coordination chemistry of telluroether complexes of silver(i) and copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16868","16877","10.1039/c3dt51840j","","","0.71073","MoKα","","0.0408","0.0372","","","0.0901","0.0934","","","","","","1.02","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023912","16.323","0.003","10.798","0.002","20.054","0.004","90","","103.42","0.03","90","","3438.1","1.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","tris(dithienyltellane)copper trifluoromethylsulfonate","","- C25 H18 Cu F3 O3 S7 Te3 -","- C25 H18 Cu F3 O3 S7 Te3 -","- C100 H72 Cu4 F12 O12 S28 Te12 -","4","1","","Poropudas, Merja J.; Vigo, Ludmila; Oilunkaniemi, Raija; Laitinen, Risto S.","Versatile solid-state coordination chemistry of telluroether complexes of silver(i) and copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16868","16877","10.1039/c3dt51840j","","","0.71073","MoKα","","0.0686","0.0536","","","0.1343","0.151","","","","","","1.018","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023913","9.909","0.002","11.569","0.002","12.339","0.003","76.21","0.03","70.18","0.03","67.81","0.03","1222.2","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","bis(dithienyltellane)silver trifluoromethylsulfonate","","- C17 H12 Ag F3 O3 S5 Te2 -","- C17 H12 Ag F3 O3 S5 Te2 -","- C34 H24 Ag2 F6 O6 S10 Te4 -","2","1","","Poropudas, Merja J.; Vigo, Ludmila; Oilunkaniemi, Raija; Laitinen, Risto S.","Versatile solid-state coordination chemistry of telluroether complexes of silver(i) and copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16868","16877","10.1039/c3dt51840j","","","0.71073","MoKα","","0.0605","0.0559","","","0.146","0.1511","","","","","","1.069","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023914","10.087","0.005","10.175","0.005","13.076","0.005","93.697","0.005","104.738","0.005","104.824","0.005","1242.6","1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","bis(diphenylselane)silver trifluoromethylsulfonate","","- C25 H20 Ag F3 O3 S Se2 -","- C25 H20 Ag F3 O3 S Se2 -","- C50 H40 Ag2 F6 O6 S2 Se4 -","2","1","","Poropudas, Merja J.; Vigo, Ludmila; Oilunkaniemi, Raija; Laitinen, Risto S.","Versatile solid-state coordination chemistry of telluroether complexes of silver(i) and copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16868","16877","10.1039/c3dt51840j","","","0.71073","MoKα","","0.0575","0.0496","","","0.1248","0.1413","","","","","","1.047","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023915","11.885","0.002","27.949","0.006","12.674","0.003","90","","90.85","0.03","90","","4209.5","1.5","120","2","120","2","","","","","","","","8","P 1 21 1","P 2yb","4","","tetrakis[mu-bis(trimethylsilylmethyl)tellane)- pentasilver pentakis(trifluoromethylsulfonate)","","- C37 H85 Ag5 F15 O15 S5 Si8 Te4 -","- C37 H85 Ag5 F15 O15 S5 Si8 Te4 -","- C74 H170 Ag10 F30 O30 S10 Si16 Te8 -","2","1","","Poropudas, Merja J.; Vigo, Ludmila; Oilunkaniemi, Raija; Laitinen, Risto S.","Versatile solid-state coordination chemistry of telluroether complexes of silver(i) and copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16868","16877","10.1039/c3dt51840j","","","0.71073","MoKα","","0.0835","0.0791","","","0.2015","0.2092","","","","","","1.027","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023916","30.819","0.006","16.649","0.003","22.78","0.005","90","","92.28","0.03","90","","11679","4","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","poly{[mu-bis(trimethylsilylmethyl)tellane]silver trifluoro- methylsulfonate}","","- C54 H132 Ag6 F18 O18 S6 Si12 Te6 -","- C54 H132 Ag6 F18 O18 S6 Si12 Te6 -","- C216 H528 Ag24 F72 O72 S24 Si48 Te24 -","4","1","","Poropudas, Merja J.; Vigo, Ludmila; Oilunkaniemi, Raija; Laitinen, Risto S.","Versatile solid-state coordination chemistry of telluroether complexes of silver(i) and copper(i).","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16868","16877","10.1039/c3dt51840j","","","0.71073","MoKα","","0.106","0.0756","","","0.1743","0.1956","","","","","","1.008","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023917","12.343","0.005","13.215","0.005","18.025","0.005","94.681","0.005","92.263","0.005","105.038","0.005","2824.3","1.8","571","2","571","2","","","","","","","","6","P -1","-P 1","2","","","","- Ag3 H55 O105 Pr4 Si2 W22 -","- Ag3 O102 Pr4 Si2 W22 -","- Ag3 O102 Pr4 Si2 W22 -","1","0.5","","Pang, Haijun; Gómez-García, Carlos J; Peng, Jun; Ma, Huiyuan; Zhang, Chunjing; Wu, Qingyin","Monolacunary Keggin polyoxometalates connected to ten 4d or 4f metal atoms.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16596","16601","10.1039/c3dt51899j","","","0.71069","MoKα","","0.1197","0.0556","","","0.0767","0.0811","","","","","","1.006","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023918","12.3582","0.0006","13.241","0.0006","18.064","0.0005","94.617","0.003","92.259","0.003","105.104","0.004","2838.9","0.2","571","2","571","2","","","","","","","","6","P -1","-P 1","2","","","","- Ag3 Ce4 H63 O109 Si2 W22 -","- Ag3 Ce4 O102 Si2 W22 -","- Ag3 Ce4 O102 Si2 W22 -","1","0.5","","Pang, Haijun; Gómez-García, Carlos J; Peng, Jun; Ma, Huiyuan; Zhang, Chunjing; Wu, Qingyin","Monolacunary Keggin polyoxometalates connected to ten 4d or 4f metal atoms.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16596","16601","10.1039/c3dt51899j","","","0.71073","MoKα","","0.1222","0.0592","","","0.0982","0.1043","","","","","","1.014","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023919","16.038","0.002","16.038","0.002","15.787","0.003","90","","90","","90","","4060.7","1.1","291","2","291","2","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C38 H36 Co2 N4 O10 S2 -","- C38 H36 Co2 N4 O10 S2 -","- C152 H144 Co8 N16 O40 S8 -","4","0.5","","Zhou, Li; Wang, Chenggang; Zheng, Xiaofang; Tian, Zhengfang; Wen, Lili; Qu, Hua; Li, Dongfeng","New metal-organic frameworks based on 2,5-thiophenedicarboxylate and pyridine- or imidazole-based spacers: syntheses, topological structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16375","16386","10.1039/c3dt51905h","","","0.71073","MoKα","","0.0671","0.0606","","","0.1469","0.1477","","","","","","0.881","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023920","10.5078","0.0018","18.163","0.003","11.574","0.002","90","","104.499","0.002","90","","2138.6","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Cd N2 O7 S -","- C19 H22 Cd N2 O7 S -","- C76 H88 Cd4 N8 O28 S4 -","4","1","","Zhou, Li; Wang, Chenggang; Zheng, Xiaofang; Tian, Zhengfang; Wen, Lili; Qu, Hua; Li, Dongfeng","New metal-organic frameworks based on 2,5-thiophenedicarboxylate and pyridine- or imidazole-based spacers: syntheses, topological structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16375","16386","10.1039/c3dt51905h","","","0.71073","MoKα","","0.0487","0.0455","","","0.137","0.1378","","","","","","1.372","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023921","9.4224","0.0007","12.2481","0.0009","18.7629","0.0014","108.911","0.001","91.062","0.001","110.102","0.001","1903","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 N8 O10 S2 Zn2 -","- C32 H36 N8 O10 S2 Zn2 -","- C64 H72 N16 O20 S4 Zn4 -","2","1","","Zhou, Li; Wang, Chenggang; Zheng, Xiaofang; Tian, Zhengfang; Wen, Lili; Qu, Hua; Li, Dongfeng","New metal-organic frameworks based on 2,5-thiophenedicarboxylate and pyridine- or imidazole-based spacers: syntheses, topological structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16375","16386","10.1039/c3dt51905h","","","0.71073","MoKα","","0.0369","0.031","","","0.1076","0.1297","","","","","","1.094","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023922","11.196","0.003","13.02","0.003","16.52","0.004","84.072","0.003","85.182","0.003","79.138","0.003","2347.2","1","273","2","273","2","","","","","","","","6","P 1","P 1","1","","","","- C99 H81 Co4 N17 O24 S4 -","- C96 H74 Co4 N16 O21 S4 -","- C96 H74 Co4 N16 O21 S4 -","1","1","","Zhou, Li; Wang, Chenggang; Zheng, Xiaofang; Tian, Zhengfang; Wen, Lili; Qu, Hua; Li, Dongfeng","New metal-organic frameworks based on 2,5-thiophenedicarboxylate and pyridine- or imidazole-based spacers: syntheses, topological structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16375","16386","10.1039/c3dt51905h","","","0.71073","MoKα","","0.0291","0.0281","","","0.0896","0.0922","","","","","","1.084","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023923","22.559","0.002","9.9836","0.001","20.465","0.002","90","","103.164","0.002","90","","4488","0.7","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C91 H72 N16 O19.25 S3 Zn4 -","- C91 H72 N16 O19.25 S3 Zn4 -","- C182 H144 N32 O38.5 S6 Zn8 -","2","1","","Zhou, Li; Wang, Chenggang; Zheng, Xiaofang; Tian, Zhengfang; Wen, Lili; Qu, Hua; Li, Dongfeng","New metal-organic frameworks based on 2,5-thiophenedicarboxylate and pyridine- or imidazole-based spacers: syntheses, topological structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16375","16386","10.1039/c3dt51905h","","","0.71073","MoKα","","0.0653","0.0455","","","0.1114","0.1227","","","","","","1.007","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023924","10.6974","0.0013","37.268","0.005","9.4058","0.0012","90","","101.263","0.002","90","","3677.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C73 H63 Cd2 N14 O11 S2 -","- C73 H63 Cd2 N14 O11 S2 -","- C146 H126 Cd4 N28 O22 S4 -","2","0.5","","Zhou, Li; Wang, Chenggang; Zheng, Xiaofang; Tian, Zhengfang; Wen, Lili; Qu, Hua; Li, Dongfeng","New metal-organic frameworks based on 2,5-thiophenedicarboxylate and pyridine- or imidazole-based spacers: syntheses, topological structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16375","16386","10.1039/c3dt51905h","","","0.71073","MoKα","","0.0708","0.0574","","","0.1242","0.1287","","","","","","1.18","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023925","22.9568","0.0015","13.2642","0.0009","19.3659","0.0013","90","","90","","90","","5897","0.7","273","2","273","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C54 H46 Co2 N14 O14 S3 -","- C54 H46 Co2 N14 O14 S3 -","- C216 H184 Co8 N56 O56 S12 -","4","0.5","","Zhou, Li; Wang, Chenggang; Zheng, Xiaofang; Tian, Zhengfang; Wen, Lili; Qu, Hua; Li, Dongfeng","New metal-organic frameworks based on 2,5-thiophenedicarboxylate and pyridine- or imidazole-based spacers: syntheses, topological structures, and properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16375","16386","10.1039/c3dt51905h","","","0.71073","MoKα","","0.0627","0.0495","","","0.1469","0.1586","","","","","","1.062","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023926","11.8455","0.0003","23.7605","0.0006","15.3741","0.0004","90","","107.02","0.001","90","","4137.6","0.18","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Cl6 N5 Pt -","- C41 H37 Cl6 N5 Pt -","- C164 H148 Cl24 N20 Pt4 -","4","1","","Savel, Paul; Latouche, Camille; Roisnel, Thierry; Akdas-Kilig, Huriye; Boucekkine, Abdou; Fillaut, Jean-Luc","Cyclometalated platinum(ii) with ethynyl-linked azobenzene ligands: an original switching mode.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16773","16783","10.1039/c3dt51925b","","x-ray","0.71073","MoKα","","0.081","0.0564","","","0.1492","0.1679","","","","","","1.053","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023927","10.955","0.002","12.245","0.002","13.837","0.003","64.56","0.03","79.15","0.03","68.15","0.03","1554.9","0.7","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H35 Cl2 Cu N5 O5 -","- C28 H31 Cl2 Cu N5 O5 -","- C56 H62 Cl4 Cu2 N10 O10 -","2","1","","Wu, Xiaojing; Li, Hongda; Kan, Yuhe; Yin, Bingzhu","A regeneratable and highly selective fluorescent probe for sulfide detection in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16302","16310","10.1039/c3dt51953h","","","0.71073","MoKα","","0.0848","0.0623","","","0.1913","0.2082","","","","","","1.085","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023928","14.317","0.003","9.6555","0.0019","18.971","0.004","90","","91.51","0.03","90","","2621.6","0.9","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N5 O3 -","- C28 H31 N5 O3 -","- C112 H124 N20 O12 -","4","1","","Wu, Xiaojing; Li, Hongda; Kan, Yuhe; Yin, Bingzhu","A regeneratable and highly selective fluorescent probe for sulfide detection in aqueous solution.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16302","16310","10.1039/c3dt51953h","","","0.71073","MoKα","","0.1013","0.0585","","","0.1626","0.189","","","","","","1.064","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023929","9.0396","0.0018","10.003","0.002","19.505","0.004","90","","90.8","0.03","90","","1763.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N8 O5 Zn -","- C17 H16 N8 O5 Zn -","- C68 H64 N32 O20 Zn4 -","4","1","","Wang, Yan-Ning; Bai, Fu-Quan; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of three Zn(2+)/Mn(2+)-acylhydrazidate complexes and two acylhydrazide molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16547","16555","10.1039/c3dt51963e","","","0.71073","MoKα","","0.0764","0.0496","","","0.115","0.1279","","","","","","1.039","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023930","7.9193","0.0016","11.378","0.002","11.607","0.002","67.29","0.03","88.38","0.03","81.81","0.03","954.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 N4 O4 Zn -","- C24 H14 N4 O4 Zn -","- C48 H28 N8 O8 Zn2 -","2","1","","Wang, Yan-Ning; Bai, Fu-Quan; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of three Zn(2+)/Mn(2+)-acylhydrazidate complexes and two acylhydrazide molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16547","16555","10.1039/c3dt51963e","","","0.71073","MoKα","","0.0913","0.0806","","","0.2023","0.208","","","","","","1.08","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023931","5.8217","0.0005","15.0795","0.0009","16.8686","0.0012","90","","95.602","0.005","90","","1473.79","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N4 O4.5 -","- C16 H10 N4 O4.5 -","- C64 H40 N16 O18 -","4","1","","Wang, Yan-Ning; Bai, Fu-Quan; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of three Zn(2+)/Mn(2+)-acylhydrazidate complexes and two acylhydrazide molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16547","16555","10.1039/c3dt51963e","","","0.71073","MoKα","","0.1125","0.0618","","","0.1614","0.1945","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023932","7.6372","0.0004","7.785","0.0005","8.9475","0.0007","83.833","0.004","71.494","0.004","67.412","0.004","465.71","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Mn N6 O8 -","- C16 H20 Mn N6 O8 -","- C16 H20 Mn N6 O8 -","1","0.5","","Wang, Yan-Ning; Bai, Fu-Quan; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of three Zn(2+)/Mn(2+)-acylhydrazidate complexes and two acylhydrazide molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16547","16555","10.1039/c3dt51963e","","","0.71073","MoKα","","0.0343","0.0322","","","0.0922","0.0949","","","","","","1.061","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023933","13.175","0.003","18.284","0.004","7.2832","0.0015","90","","90.66","0.03","90","","1754.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl N4 O2 -","- C8 H7 Cl N4 O2 -","- C64 H56 Cl8 N32 O16 -","8","2","","Wang, Yan-Ning; Bai, Fu-Quan; Yu, Jie-Hui; Xu, Ji-Qing","Synthesis, structural characterization and photoluminescence property of three Zn(2+)/Mn(2+)-acylhydrazidate complexes and two acylhydrazide molecules.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16547","16555","10.1039/c3dt51963e","","","0.71073","MoKα","","0.0834","0.0504","","","0.1264","0.1396","","","","","","1.065","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023934","15.369","0.005","15.403","0.005","20.104","0.005","84.835","0.005","89.828","0.005","74.46","0.005","4565","2","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C50 H102 Ce4 Mn4 N10 Na2 O152 P4 W30 -","- C50 H40 Ce4 Mn4 N10 Na2 O144 P4 W30 -","- C50 H40 Ce4 Mn4 N10 Na2 O144 P4 W30 -","1","0.5","","Yu, Tingting; Ma, Huiyuan; Zhang, Chunjing; Pang, Haijun; Li, Shaobin; Liu, Heng","A 3d-4f heterometallic 3D POMOF based on lacunary Dawson polyoxometalates.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16328","16333","10.1039/c3dt51983j","","","0.71069","MoKα","","0.1199","0.0694","","","0.1677","0.189","","","","","","0.862","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023935","15.1265","0.0004","15.1265","0.0004","12.5331","0.001","90","","90","","120","","2483.5","0.2","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C45 H33 Cu3 Mo4 N18 O12 -","- C45 H33 Cu3 Mo4 N18 O12 -","- C90 H66 Cu6 Mo8 N36 O24 -","2","0.166667","","Zhang, Xiutang; Fan, Liming; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Zhao, Xian","A highly photocatalytic polyoxomolybdate compound constructed from novel-type triple helix {Mo4O12}n chains and copper(i)-organic nets.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16562","16568","10.1039/c3dt52001c","","","0.71073","MoKα","","0.0674","0.0592","","","0.1048","0.1364","","","","","","0.997","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023936","10.7837","0.0003","11.6961","0.0004","18.921","0.0006","73.692","0.003","80.838","0.003","88.509","0.003","2260.78","0.13","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H84 Cl4 Mn4 N18 O23 -","- C86 H84 Cl4 Mn4 N18 O23 -","- C86 H84 Cl4 Mn4 N18 O23 -","1","0.5","","Barros, Wdeson P.; Inglis, Ross; Nichol, Gary S.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Piligkos, Stergios; Stumpf, Humberto O.; Brechin, Euan K.","From antiferromagnetic to ferromagnetic exchange in a family of oxime-based Mn(III) dimers: a magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16510","16517","10.1039/c3dt52009a","","","1.54184","CuKα","","0.0434","0.0348","","","0.0855","0.0915","","","","","","1.012","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023937","10.7046","0.0004","11.6206","0.0004","19.4847","0.0006","74.968","0.003","79.75","0.003","89.644","0.003","2301.45","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H43.64 Cl2 Mn2 N9 O11.32 -","- C44 H43.64 Cl2 Mn2 N9 O11.32 -","- C88 H87.28 Cl4 Mn4 N18 O22.64 -","2","1","","Barros, Wdeson P.; Inglis, Ross; Nichol, Gary S.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Piligkos, Stergios; Stumpf, Humberto O.; Brechin, Euan K.","From antiferromagnetic to ferromagnetic exchange in a family of oxime-based Mn(III) dimers: a magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16510","16517","10.1039/c3dt52009a","","","1.54184","CuKα","","0.0563","0.0484","","","0.1242","0.1309","","","","","","1.015","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023938","11.0368","0.0004","11.5272","0.0006","19.2934","0.001","74.555","0.005","81.387","0.004","84.794","0.004","2335.9","0.2","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H45 Cl2 Mn2 N9 O11 -","- C45 H45 Cl2 Mn2 N9 O11 -","- C90 H90 Cl4 Mn4 N18 O22 -","2","1","","Barros, Wdeson P.; Inglis, Ross; Nichol, Gary S.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Piligkos, Stergios; Stumpf, Humberto O.; Brechin, Euan K.","From antiferromagnetic to ferromagnetic exchange in a family of oxime-based Mn(III) dimers: a magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16510","16517","10.1039/c3dt52009a","","","0.71073","MoKα","","0.0645","0.0412","","","0.0733","0.0812","","","","","","1.019","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023939","11.3801","0.0002","22.7282","0.0004","19.6458","0.0004","90","","97.4164","0.0016","90","","5038.86","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C99 H94 Cl4 Mn4 N18 O23 -","- C99 H94 Cl4 Mn4 N18 O23 -","- C198 H188 Cl8 Mn8 N36 O46 -","2","0.5","","Barros, Wdeson P.; Inglis, Ross; Nichol, Gary S.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Piligkos, Stergios; Stumpf, Humberto O.; Brechin, Euan K.","From antiferromagnetic to ferromagnetic exchange in a family of oxime-based Mn(III) dimers: a magneto-structural study.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16510","16517","10.1039/c3dt52009a","","","0.71073","MoKα","","0.068","0.044","","","0.0927","0.1043","","","","","","1.047","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023940","11.1103","0.0018","11.4141","0.0019","15.307","0.002","92.761","0.004","92.247","0.003","108.104","0.004","1839.9","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H108 N8 Si8 Y2 -","- C56 H108 N8 Si8 Y2 -","- C56 H108 N8 Si8 Y2 -","1","0.5","","Sun, Song; Ouyang, Hao; Luo, Yunjie; Zhang, Yong; Shen, Qi; Yao, Yingming","Synthesis of β-diketiminate-ligated bimetallic and monometallic lanthanide amide complexes and their reactivity with isoprene and AlMe3.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16355","16364","10.1039/c3dt52014e","","","0.71075","MoKα","","0.0678","0.0473","","","0.1144","0.1246","","","","","","1.044","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023941","11.2006","0.0012","11.4482","0.0011","15.2323","0.0013","92.946","0.002","93.603","0.002","108.289","0.003","1845.6","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H108 N8 Si8 Sm2 -","- C56 H108 N8 Si8 Sm2 -","- C56 H108 N8 Si8 Sm2 -","1","0.5","","Sun, Song; Ouyang, Hao; Luo, Yunjie; Zhang, Yong; Shen, Qi; Yao, Yingming","Synthesis of β-diketiminate-ligated bimetallic and monometallic lanthanide amide complexes and their reactivity with isoprene and AlMe3.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16355","16364","10.1039/c3dt52014e","","","0.71075","MoKα","","0.0386","0.0316","","","0.0619","0.0643","","","","","","1.041","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023942","16.9447","0.0007","18.8097","0.0009","23.3593","0.0011","90","","90","","90","","7445.2","0.6","220","2","220","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C56 H108 N8 Si8 Y2 -","- C56 H108 N8 Si8 Y2 -","- C224 H432 N32 Si32 Y8 -","4","0.5","","Sun, Song; Ouyang, Hao; Luo, Yunjie; Zhang, Yong; Shen, Qi; Yao, Yingming","Synthesis of β-diketiminate-ligated bimetallic and monometallic lanthanide amide complexes and their reactivity with isoprene and AlMe3.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16355","16364","10.1039/c3dt52014e","","","0.7107","MoKα","","0.0485","0.0348","","","0.0698","0.0736","","","","","","1.03","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023943","10.5762","0.0008","20.4287","0.001","34.9745","0.0018","90","","95.853","0.006","90","","7517.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H108 N8 Si8 Y2 -","- C56 H106 N8 Si8 Y2 -","- C224 H424 N32 Si32 Y8 -","4","0.5","","Sun, Song; Ouyang, Hao; Luo, Yunjie; Zhang, Yong; Shen, Qi; Yao, Yingming","Synthesis of β-diketiminate-ligated bimetallic and monometallic lanthanide amide complexes and their reactivity with isoprene and AlMe3.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16355","16364","10.1039/c3dt52014e","","","0.71073","MoKα","","0.134","0.0843","","","0.2142","0.2386","","","","","","1.08","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023944","20.0835","0.0009","20.5924","0.0012","20.6268","0.001","90","","90","","90","","8530.6","0.8","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H65 N4 Si4 Y -","- C35 H65 N4 Si4 Y -","- C280 H520 N32 Si32 Y8 -","8","1","","Sun, Song; Ouyang, Hao; Luo, Yunjie; Zhang, Yong; Shen, Qi; Yao, Yingming","Synthesis of β-diketiminate-ligated bimetallic and monometallic lanthanide amide complexes and their reactivity with isoprene and AlMe3.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16355","16364","10.1039/c3dt52014e","","","0.71075","MoKα","","0.1076","0.0767","","","0.1245","0.1339","","","","","","1.17","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023945","18.189","0.002","14.5123","0.0012","16.414","0.005","90","","90","","90","","4332.7","1.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C35 H65 N4 O Si4 Y -","- C35 H65 N4 O Si4 Y -","- C140 H260 N16 O4 Si16 Y4 -","4","1","","Sun, Song; Ouyang, Hao; Luo, Yunjie; Zhang, Yong; Shen, Qi; Yao, Yingming","Synthesis of β-diketiminate-ligated bimetallic and monometallic lanthanide amide complexes and their reactivity with isoprene and AlMe3.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16355","16364","10.1039/c3dt52014e","","","0.71073","MoKα","","0.0707","0.047","","","0.1033","0.1142","","","","","","1.007","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023946","12.6433","0.0012","20.8974","0.0018","13.2484","0.0013","90","","98.252","0.003","90","","3464.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 Al2 N2 Y -","- C31 H53 Al2 N2 Y -","- C124 H212 Al8 N8 Y4 -","4","1","","Sun, Song; Ouyang, Hao; Luo, Yunjie; Zhang, Yong; Shen, Qi; Yao, Yingming","Synthesis of β-diketiminate-ligated bimetallic and monometallic lanthanide amide complexes and their reactivity with isoprene and AlMe3.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16355","16364","10.1039/c3dt52014e","","","0.7107","MoKα","","0.0701","0.0578","","","0.132","0.1386","","","","","","1.07","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023947","15.561","0.0009","15.8885","0.0009","24.3185","0.0014","90","","101.036","0.001","90","","5901.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H74 N4 O6 Zn -","- C70 H74 N4 O6 Zn -","- C280 H296 N16 O24 Zn4 -","4","1","","Gao, Bo; Duan, Ranlong; Pang, Xuan; Li, Xiang; Qu, Zhi; Shao, Huili; Wang, Xianhong; Chen, Xuesi","Zinc complexes containing asymmetrical N,N,O-tridentate ligands and their application in lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16334","16342","10.1039/c3dt52016a","","","0.71073","MoKα","","0.1124","0.0612","","","0.147","0.1754","","","","","","1.022","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023948","15.7664","0.0007","15.7481","0.0007","24.683","0.0011","90","","100.502","0.0007","90","","6025.9","0.5","188","2","188","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H72 F2 N4 O6 Zn -","- C70 H72 F2 N4 O6 Zn -","- C280 H288 F8 N16 O24 Zn4 -","4","1","","Gao, Bo; Duan, Ranlong; Pang, Xuan; Li, Xiang; Qu, Zhi; Shao, Huili; Wang, Xianhong; Chen, Xuesi","Zinc complexes containing asymmetrical N,N,O-tridentate ligands and their application in lactide polymerization.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16334","16342","10.1039/c3dt52016a","","","0.71073","MoKα","","0.0831","0.0548","","","0.1429","0.1614","","","","","","1.026","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023949","19.025","0.003","15.496","0.002","13.934","0.002","90","","93.194","0.002","90","","4101.5","1","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C35 H59 O3 P3 Pt3 -","- C35 H59 O3 P3 Pt3 -","- C140 H236 O12 P12 Pt12 -","4","0.5","","Bonuccelli, Veronica; Funaioli, Tiziana; Leoni, Piero; Marchetti, Lorella; Zacchini, Stefano","Bridging molecular clusters and fullerene.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16898","16908","10.1039/c3dt52055b","","","0.71073","MoKα","","0.0523","0.0475","","","0.1245","0.1286","","","","","","1.083","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023950","17.9699","0.0008","12.6633","0.0006","22.2998","0.001","90","","111.613","0.002","90","","4717.7","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H62 N6 O8 Zr2 -","- C44 H62 N6 O8 Zr2 -","- C176 H248 N24 O32 Zr8 -","4","0.5","","Pappuru, Sreenath; Chokkapu, Eswara Rao; Chakraborty, Debashis; Ramkumar, Venkatachalam","Group iv complexes containing the benzotriazole phenoxide ligand as catalysts for the ring-opening polymerization of lactides, epoxides and as precatalysts for the polymerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16412","16427","10.1039/c3dt52065j","","","0.71073","MoKα","","0.0491","0.0421","","","0.1039","0.1104","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023951","12.5729","0.0007","29.9689","0.0016","17.1728","0.0009","90","","109.688","0.002","90","","6092.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H64 Hf N12 O4 -","- C73 H64 Hf N12 O4 -","- C292 H256 Hf4 N48 O16 -","4","1","","Pappuru, Sreenath; Chokkapu, Eswara Rao; Chakraborty, Debashis; Ramkumar, Venkatachalam","Group iv complexes containing the benzotriazole phenoxide ligand as catalysts for the ring-opening polymerization of lactides, epoxides and as precatalysts for the polymerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16412","16427","10.1039/c3dt52065j","","","0.71073","MoKα","","0.0456","0.0358","","","0.0735","0.0772","","","","","","1.177","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023952","18.5596","0.0006","10.9098","0.0003","15.4502","0.0005","90","","124.501","0.001","90","","2578.15","0.14","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H20 Cl2 Hf N6 O2 -","- C26 H20 Cl2 Hf N6 O2 -","- C104 H80 Cl8 Hf4 N24 O8 -","4","1","","Pappuru, Sreenath; Chokkapu, Eswara Rao; Chakraborty, Debashis; Ramkumar, Venkatachalam","Group iv complexes containing the benzotriazole phenoxide ligand as catalysts for the ring-opening polymerization of lactides, epoxides and as precatalysts for the polymerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16412","16427","10.1039/c3dt52065j","","","0.71073","MoKα","","0.0127","0.0124","","","0.0322","0.0324","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7023953","12.0351","0.0005","12.7717","0.0006","18.339","0.0008","103.316","0.002","93.616","0.002","91.888","0.002","2734.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H48 Cl4 N12 O4 Ti2 -","- C59 H48 Cl4 N12 O4 Ti2 -","- C118 H96 Cl8 N24 O8 Ti4 -","2","1","","Pappuru, Sreenath; Chokkapu, Eswara Rao; Chakraborty, Debashis; Ramkumar, Venkatachalam","Group iv complexes containing the benzotriazole phenoxide ligand as catalysts for the ring-opening polymerization of lactides, epoxides and as precatalysts for the polymerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16412","16427","10.1039/c3dt52065j","","","0.71073","MoKα","","0.0628","0.0401","","","0.0917","0.1017","","","","","","1.019","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023954","12.5037","0.0004","30.0814","0.001","17.0526","0.0006","90","","109.807","0.002","90","","6034.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H64 N12 O4 Zr -","- C73 H64 N12 O4 Zr -","- C292 H256 N48 O16 Zr4 -","4","1","","Pappuru, Sreenath; Chokkapu, Eswara Rao; Chakraborty, Debashis; Ramkumar, Venkatachalam","Group iv complexes containing the benzotriazole phenoxide ligand as catalysts for the ring-opening polymerization of lactides, epoxides and as precatalysts for the polymerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16412","16427","10.1039/c3dt52065j","","","0.71073","MoKα","","0.0839","0.0688","","","0.1635","0.1724","","","","","","1.081","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023955","18.6144","0.0015","10.8807","0.0008","15.455","0.0012","90","","124.471","0.003","90","","2580.6","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Cl2 N6 O2 Zr -","- C26 H20 Cl2 N6 O2 Zr -","- C104 H80 Cl8 N24 O8 Zr4 -","4","0.5","","Pappuru, Sreenath; Chokkapu, Eswara Rao; Chakraborty, Debashis; Ramkumar, Venkatachalam","Group iv complexes containing the benzotriazole phenoxide ligand as catalysts for the ring-opening polymerization of lactides, epoxides and as precatalysts for the polymerization of ethylene.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16412","16427","10.1039/c3dt52065j","","","0.71073","MoKα","","0.0257","0.0235","","","0.0624","0.0639","","","","","","1.041","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023956","42.434","0.005","7.4178","0.0008","8.2223","0.0009","90","","94.528","0.002","90","","2580","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Co O5 P -","- C13 H11 Co O5 P -","- C104 H88 Co8 O40 P8 -","8","1","","Zheng, Tao; Bao, Song-Song; Ren, Min; Zheng, Li-Min","Cobalt phosphonates based on 4-(ethoxycarbonyl)naphthalen-1-yl)phosphonic acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16396","16402","10.1039/c3dt52125g","","","0.71073","MoKα","","0.057","0.0521","","","0.1318","0.1348","","","","","","1.095","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023957","9.5694","0.0006","18.1971","0.0011","21.3531","0.0013","90","","100.526","0.001","90","","3655.8","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Co2 N2 O11 P2 -","- C36 H32 Co2 N2 O11 P2 -","- C144 H128 Co8 N8 O44 P8 -","4","1","","Zheng, Tao; Bao, Song-Song; Ren, Min; Zheng, Li-Min","Cobalt phosphonates based on 4-(ethoxycarbonyl)naphthalen-1-yl)phosphonic acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16396","16402","10.1039/c3dt52125g","","","0.71073","MoKα","","0.0546","0.0444","","","0.1236","0.133","","","","","","0.994","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023958","29.349","0.004","5.0768","0.0007","28.228","0.004","90","","113.515","0.002","90","","3856.7","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Co N3 O5 P -","- C19 H15 Co N3 O5 P -","- C152 H120 Co8 N24 O40 P8 -","8","1","","Zheng, Tao; Bao, Song-Song; Ren, Min; Zheng, Li-Min","Cobalt phosphonates based on 4-(ethoxycarbonyl)naphthalen-1-yl)phosphonic acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16396","16402","10.1039/c3dt52125g","","","0.71073","MoKα","","0.0473","0.0355","","","0.0916","0.0986","","","","","","0.995","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023959","16.3089","0.0015","21.3025","0.0018","24.111","0.002","90","","90","","90","","8376.7","1.3","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C96 H98 Cu2 N8 O P2 -","- C96 H98 Cu2 N8 O P2 -","- C384 H392 Cu8 N32 O4 P8 -","4","1","","Batcup, Rhys; Chiu, Frederick Sin Nang; Annibale, Vincent T.; Huh, Jung-Eun Ustina; Tan, Runyu; Song, Datong","Selective one-pot syntheses of Pt(II)-Cu(I) heterobimetallic complexes of 4,5-diazafluorenide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16343","16350","10.1039/c3dt52135d","","","0.71073","MoKα","","0.0602","0.0447","","","0.1053","0.114","","","","","","1.025","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023960","20.8431","0.0014","19.8747","0.001","31.212","0.002","90","","90","","90","","12929.6","1.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H78 Cu N4 P Pt -","- C76 H78 Cu N4 P Pt -","- C608 H624 Cu8 N32 P8 Pt8 -","8","1","","Batcup, Rhys; Chiu, Frederick Sin Nang; Annibale, Vincent T.; Huh, Jung-Eun Ustina; Tan, Runyu; Song, Datong","Selective one-pot syntheses of Pt(II)-Cu(I) heterobimetallic complexes of 4,5-diazafluorenide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16343","16350","10.1039/c3dt52135d","","","0.71073","MoKα","","0.1377","0.0526","","","0.0781","0.1003","","","","","","0.985","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023961","26.3673","0.0005","26.3673","0.0005","15.2955","0.0004","90","","90","","90","","10634","0.4","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C58 H54 Cu N4 P Pt -","- C58 H54 Cu N4 P Pt -","- C464 H432 Cu8 N32 P8 Pt8 -","8","1","","Batcup, Rhys; Chiu, Frederick Sin Nang; Annibale, Vincent T.; Huh, Jung-Eun Ustina; Tan, Runyu; Song, Datong","Selective one-pot syntheses of Pt(II)-Cu(I) heterobimetallic complexes of 4,5-diazafluorenide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16343","16350","10.1039/c3dt52135d","","","0.71073","MoKα","","0.0364","0.0293","","","0.0656","0.0677","","","","","","1.01","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023962","11.8289","0.0006","21.9364","0.0013","20.4095","0.001","90","","106.006","0.002","90","","5090.6","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C61 H57 Cu N4 P Pt -","- C61 H57 Cu N4 P Pt -","- C244 H228 Cu4 N16 P4 Pt4 -","4","1","","Batcup, Rhys; Chiu, Frederick Sin Nang; Annibale, Vincent T.; Huh, Jung-Eun Ustina; Tan, Runyu; Song, Datong","Selective one-pot syntheses of Pt(II)-Cu(I) heterobimetallic complexes of 4,5-diazafluorenide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16343","16350","10.1039/c3dt52135d","","","0.71073","MoKα","","0.0564","0.0336","","","0.0634","0.0709","","","","","","1.013","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023963","18.3296","0.0011","17.6541","0.001","12.0217","0.0008","90","","113.916","0.002","90","","3556.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H47 N2 Na O6 Pt -","- C35 H47 N2 Na O6 Pt -","- C140 H188 N8 Na4 O24 Pt4 -","4","0.5","","Batcup, Rhys; Chiu, Frederick Sin Nang; Annibale, Vincent T.; Huh, Jung-Eun Ustina; Tan, Runyu; Song, Datong","Selective one-pot syntheses of Pt(II)-Cu(I) heterobimetallic complexes of 4,5-diazafluorenide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16343","16350","10.1039/c3dt52135d","","","0.71073","MoKα","","0.027","0.0224","","","0.0479","0.0494","","","","","","1.039","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023964","12.1488","0.0008","20.0623","0.0014","20.5295","0.0016","90","","90","","90","","5003.7","0.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C57 H61 Cu N4 Pt -","- C57 H61 Cu N4 Pt -","- C228 H244 Cu4 N16 Pt4 -","4","1","","Batcup, Rhys; Chiu, Frederick Sin Nang; Annibale, Vincent T.; Huh, Jung-Eun Ustina; Tan, Runyu; Song, Datong","Selective one-pot syntheses of Pt(II)-Cu(I) heterobimetallic complexes of 4,5-diazafluorenide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16343","16350","10.1039/c3dt52135d","","","0.71073","MoKα","","0.054","0.0353","","","0.0556","0.0601","","","","","","0.994","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023965","6.7555","0.0004","16.3786","0.0009","16.101","0.0008","90","","98.714","0.003","90","","1760.94","0.17","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 Pt -","- C23 H18 N2 Pt -","- C92 H72 N8 Pt4 -","4","1","","Batcup, Rhys; Chiu, Frederick Sin Nang; Annibale, Vincent T.; Huh, Jung-Eun Ustina; Tan, Runyu; Song, Datong","Selective one-pot syntheses of Pt(II)-Cu(I) heterobimetallic complexes of 4,5-diazafluorenide derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16343","16350","10.1039/c3dt52135d","","","0.71073","MoKα","","0.0265","0.02","","","0.042","0.0441","","","","","","1.022","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023966","9.9014","0.0014","12.1457","0.0014","15.3957","0.0019","76.11","0.01","87.689","0.011","71.391","0.012","1702","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H50 B2 N4 -","- C34 H50 B2 N4 -","- C68 H100 B4 N8 -","2","1","","Misra, Rajneesh; Jadhav, Thaksen; Mobin, Shaikh M.","Aryl pyrazaboles: a new class of tunable and highly fluorescent materials.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16614","16620","10.1039/c3dt52154k","","","0.71073","MoKα","","0.199","0.097","","","0.2679","0.376","","","","","","0.973","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023967","8.9617","0.0007","9.4626","0.0009","14.4845","0.0014","79.71","0.008","82.667","0.008","66.359","0.009","1104.98","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13.5 H14.5 B0.5 N -","- C13.5 H14.5 B0.5 N -","- C54 H58 B2 N4 -","4","2","","Misra, Rajneesh; Jadhav, Thaksen; Mobin, Shaikh M.","Aryl pyrazaboles: a new class of tunable and highly fluorescent materials.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16614","16620","10.1039/c3dt52154k","","","0.71073","MoKα","","0.1269","0.0932","","","0.2647","0.3149","","","","","","1.073","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7023968","12.8407","0.0004","10.3162","0.0003","15.3851","0.0005","90","","99.994","0.003","90","","2007.1","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 B N2 -","- C23 H27 B N2 -","- C92 H108 B4 N8 -","4","1","","Misra, Rajneesh; Jadhav, Thaksen; Mobin, Shaikh M.","Aryl pyrazaboles: a new class of tunable and highly fluorescent materials.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16614","16620","10.1039/c3dt52154k","","","0.71073","MoKα","","0.0547","0.0487","","","0.132","0.1371","","","","","","1.068","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023969","12.6992","0.0008","14.0976","0.0009","25.2607","0.0018","91.219","0.006","94.558","0.007","93.611","0.007","4497.6","0.5","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H28 Cd Cl N13 O -","- C48.5 H28 Cd Cl N13 O -","- C194 H112 Cd4 Cl4 N52 O4 -","4","2","","Fukuda, Takamitsu; Shigeyoshi, Natsuko; Fuyuhiro, Akira; Ishikawa, Naoto","First example of a hexadentate bicyclic phthalocyanine analogue containing a divalent metal center.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16486","16489","10.1039/c3dt52170b","","","0.71075","MoKα","","0.0956","0.0698","","","0.1498","0.1633","","","","","","1.154","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7023970","13.1931","0.0009","19.6695","0.0015","20.343","0.002","90","","106.481","0.009","90","","5062.1","0.8","180","0.1","180","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H59 N4 O Si Y -","- C58 H59 N4 O Si Y -","- C232 H236 N16 O4 Si4 Y4 -","4","1","","Xu, Ling; Wang, Yu-Chen; Zhang, Wen-Xiong; Xi, Zhenfeng","Half-sandwich bis(propiolamidinate) rare-earth metal complexes: synthesis, structure and dissociation of the cyclopentadienyl ligand via competition with an amidinate.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16466","16469","10.1039/c3dt52179f","","","0.7107","MoKα","","0.1444","0.064","","","0.1057","0.1344","","","","","","1.013","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023971","13.1259","0.0003","16.2231","0.0005","16.4294","0.0005","90.497","0.002","90.033","0.002","93.204","0.002","3492.92","0.17","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C82 H82 N4 Si2 Y2 -","- C82 H82 N4 Si2 Y2 -","- C164 H164 N8 Si4 Y4 -","2","1","","Xu, Ling; Wang, Yu-Chen; Zhang, Wen-Xiong; Xi, Zhenfeng","Half-sandwich bis(propiolamidinate) rare-earth metal complexes: synthesis, structure and dissociation of the cyclopentadienyl ligand via competition with an amidinate.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16466","16469","10.1039/c3dt52179f","","","0.7107","MoKα","","0.0989","0.0848","","","0.1825","0.1888","","","","","","1.144","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023972","16.124","0.002","16.124","0.002","9.945","0.002","90","","90","","120","","2239.1","0.6","173","2","173","2","","","","","","","","4","P 63","P 6c","173","","","","- C45 H57 N6 Y -","- C45 H57 N6 Y -","- C90 H114 N12 Y2 -","2","0.333333","","Xu, Ling; Wang, Yu-Chen; Zhang, Wen-Xiong; Xi, Zhenfeng","Half-sandwich bis(propiolamidinate) rare-earth metal complexes: synthesis, structure and dissociation of the cyclopentadienyl ligand via competition with an amidinate.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16466","16469","10.1039/c3dt52179f","","","0.71073","MoKα","","0.0575","0.0536","","","0.1123","0.1142","","","","","","1.13","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023973","16.263","0.002","16.263","0.002","10.028","0.002","90","","90","","120","","2296.9","0.6","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- C45 H57 Er N6 -","- C45 H57 Er N6 -","- C90 H114 Er2 N12 -","2","0.333333","","Xu, Ling; Wang, Yu-Chen; Zhang, Wen-Xiong; Xi, Zhenfeng","Half-sandwich bis(propiolamidinate) rare-earth metal complexes: synthesis, structure and dissociation of the cyclopentadienyl ligand via competition with an amidinate.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16466","16469","10.1039/c3dt52179f","","","0.71073","MoKα","","0.0878","0.0551","","","0.1219","0.1305","","","","","","1.023","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023974","11.2176","0.0004","19.5159","0.0006","7.0585","0.0002","90","","90","","90","","1545.26","0.08","90","0.1","90","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H14 N5 O -","- C19 H14 N5 O -","- C76 H56 N20 O4 -","4","1","","Johnston, Cooper W.; McKinnon, Stephen D. J.; Patrick, Brian O.; Hicks, Robin G.","The first ""Kuhn verdazyl"" ligand and comparative studies of its PdCl2 complex with analogous 6-oxoverdazyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16829","16836","10.1039/c3dt52191e","","","0.71073","MoKα","","0.0782","0.0731","","","0.1991","0.2023","","","","","","1.134","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023975","9.4209","0.001","10.0339","0.0011","11.0283","0.0012","77.16","0.007","77.7","0.006","72.661","0.006","958.09","0.18","100","0.2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Cl2 N5 O Pd -","- C19 H14 Cl2 N5 O Pd -","- C38 H28 Cl4 N10 O2 Pd2 -","2","1","","Johnston, Cooper W.; McKinnon, Stephen D. J.; Patrick, Brian O.; Hicks, Robin G.","The first ""Kuhn verdazyl"" ligand and comparative studies of its PdCl2 complex with analogous 6-oxoverdazyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16829","16836","10.1039/c3dt52191e","","","0.71073","MoKα","","0.0883","0.0616","","","0.1282","0.1561","","","","","","1.199","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023976","8.4974","0.0008","14.124","0.0013","15.429","0.0015","90","","99.586","0.005","90","","1825.9","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Cl2 N5 Pd -","- C19 H16 Cl2 N5 Pd -","- C76 H64 Cl8 N20 Pd4 -","4","1","","Johnston, Cooper W.; McKinnon, Stephen D. J.; Patrick, Brian O.; Hicks, Robin G.","The first ""Kuhn verdazyl"" ligand and comparative studies of its PdCl2 complex with analogous 6-oxoverdazyl ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16829","16836","10.1039/c3dt52191e","","","0.71073","MoKα","","0.0225","0.0193","","","0.0487","0.0504","","","","","","1.089","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023977","10.1434","0.0003","15.4257","0.0004","12.2878","0.0003","90","","98.371","0.003","90","","1902.18","0.09","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Cl2 N O P -","- C16 H28 Cl2 N O P -","- C64 H112 Cl8 N4 O4 P4 -","4","1","","Kreye, Markus; Runyon, Jason W.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Phosphine-substituted sterically encumbered pyrrolyl ligands - synthesis and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16846","16856","10.1039/c3dt52205a","","","0.71073","MoKα","","0.0449","0.0328","","","0.0651","0.0693","","","","","","1.033","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023978","19.1507","0.0004","10.3412","0.0002","18.3019","0.0004","90","","105.513","0.002","90","","3492.49","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H53 K N O3 P -","- C36 H53 K N O3 P -","- C144 H212 K4 N4 O12 P4 -","4","1","","Kreye, Markus; Runyon, Jason W.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Phosphine-substituted sterically encumbered pyrrolyl ligands - synthesis and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16846","16856","10.1039/c3dt52205a","","","1.54184","CuKα","","0.0415","0.0373","","","0.0962","0.0997","","","","","","1.037","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023979","10.1466","0.0012","10.3281","0.0013","11.56","0.0016","75.024","0.01","68.112","0.012","72.514","0.01","1057.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N P -","- C24 H30 N P -","- C48 H60 N2 P2 -","2","1","","Kreye, Markus; Runyon, Jason W.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Phosphine-substituted sterically encumbered pyrrolyl ligands - synthesis and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16846","16856","10.1039/c3dt52205a","","","1.54184","CuKα","","0.0492","0.0433","","","0.1024","0.1065","","","","","","1.051","","","","has coordinates,has disorder","288639","2024-01-03","12:47:51",""
"7023980","10.4026","0.0003","10.6074","0.0003","19.8992","0.0005","90","","90","","90","","2195.77","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N P S -","- C24 H30 N P S -","- C96 H120 N4 P4 S4 -","4","1","","Kreye, Markus; Runyon, Jason W.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Phosphine-substituted sterically encumbered pyrrolyl ligands - synthesis and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16846","16856","10.1039/c3dt52205a","","","0.71073","MoKα","","0.0385","0.0306","","","0.0669","0.0706","","","","","","1.073","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023981","11.7545","0.0002","11.7669","0.0003","18.8429","0.0004","90","","90","","90","","2606.24","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H34 Mo N O5 P -","- C23 H34 Mo N O5 P -","- C92 H136 Mo4 N4 O20 P4 -","4","1","","Kreye, Markus; Runyon, Jason W.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Phosphine-substituted sterically encumbered pyrrolyl ligands - synthesis and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16846","16856","10.1039/c3dt52205a","","","0.71073","MoKα","","0.0254","0.0225","","","0.0543","0.0557","","","","","","1.078","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023982","10.5614","0.0004","10.9521","0.0004","14.1162","0.0006","74.208","0.004","79.031","0.003","64.248","0.004","1410.24","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H30 Mo N O5 P -","- C29 H30 Mo N O5 P -","- C58 H60 Mo2 N2 O10 P2 -","2","1","","Kreye, Markus; Runyon, Jason W.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Phosphine-substituted sterically encumbered pyrrolyl ligands - synthesis and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16846","16856","10.1039/c3dt52205a","","","0.71073","MoKα","","0.0322","0.0262","","","0.0544","0.057","","","","","","1.06","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023983","12.2638","0.0005","11.1697","0.0004","19.4812","0.0007","90","","103.593","0.004","90","","2593.84","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 Mn N O3 P -","- C27 H29 Mn N O3 P -","- C108 H116 Mn4 N4 O12 P4 -","4","1","","Kreye, Markus; Runyon, Jason W.; Freytag, Matthias; Jones, Peter G.; Walter, Marc D.","Phosphine-substituted sterically encumbered pyrrolyl ligands - synthesis and reactivity studies.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16846","16856","10.1039/c3dt52205a","","","0.71073","MoKα","","0.059","0.0389","","","0.0817","0.09","","","","","","1.033","","","","has coordinates,has disorder","179944","2020-10-21","18:00:00",""
"7023984","13.178","0.0012","11.192","0.001","15.8121","0.0019","90","","105.551","0.006","90","","2246.7","0.4","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H31 Bi N2 O3 Si2 -","- C16 H31 Bi N2 O3 Si2 -","- C64 H124 Bi4 N8 O12 Si8 -","4","1","","Fridrichová, Adéla; Mairychová, Barbora; Padělková, Zdeňka; Lyčka, Antonín; Jurkschat, Klaus; Jambor, Roman; Dostál, Libor","Straightforward synthesis of novel cyclic metallasiloxanes supported by an N,C,N-chelating ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16403","16411","10.1039/c3dt52230j","","","0.71073","MoKα","","0.1039","0.0606","","","0.13","0.1588","","","","","","1.09","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023985","11.708","0.0005","15.9991","0.001","13.749","0.0006","90","","113.078","0.004","90","","2369.3","0.2","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 N4 O4 Sb2 Si2 -","- C48 H58 N4 O4 Sb2 Si2 -","- C96 H116 N8 O8 Sb4 Si4 -","2","0.5","","Fridrichová, Adéla; Mairychová, Barbora; Padělková, Zdeňka; Lyčka, Antonín; Jurkschat, Klaus; Jambor, Roman; Dostál, Libor","Straightforward synthesis of novel cyclic metallasiloxanes supported by an N,C,N-chelating ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16403","16411","10.1039/c3dt52230j","","","0.71073","MoKα","","0.0437","0.0291","","","0.0592","0.0662","","","","","","1.093","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023986","14.144","0.001","20.3112","0.0012","11.9648","0.0011","90","","90","","90","","3437.3","0.4","150","1","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H39 Bi N2 O3 Si2 -","- C36 H39 Bi N2 O3 Si2 -","- C144 H156 Bi4 N8 O12 Si8 -","4","1","","Fridrichová, Adéla; Mairychová, Barbora; Padělková, Zdeňka; Lyčka, Antonín; Jurkschat, Klaus; Jambor, Roman; Dostál, Libor","Straightforward synthesis of novel cyclic metallasiloxanes supported by an N,C,N-chelating ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16403","16411","10.1039/c3dt52230j","","","0.71073","MoKα","","0.0367","0.0292","","","0.0666","0.0717","","","","","","1.106","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023987","14.2341","0.0016","20.3199","0.0011","11.85","0.0014","90","","90","","90","","3427.4","0.6","150","1","150","1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H39 N2 O3 Sb Si2 -","- C36 H39 N2 O3 Sb Si2 -","- C144 H156 N8 O12 Sb4 Si8 -","4","1","","Fridrichová, Adéla; Mairychová, Barbora; Padělková, Zdeňka; Lyčka, Antonín; Jurkschat, Klaus; Jambor, Roman; Dostál, Libor","Straightforward synthesis of novel cyclic metallasiloxanes supported by an N,C,N-chelating ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16403","16411","10.1039/c3dt52230j","","","0.71073","MoKα","","0.0486","0.0356","","","0.0647","0.0704","","","","","","1.1","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023988","10.732","0.0002","13.1811","0.0008","13.5121","0.0008","89.06","0.005","84.317","0.004","87.989","0.003","1900.69","0.17","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 N2 O3 Si2 Sn -","- C42 H44 N2 O3 Si2 Sn -","- C84 H88 N4 O6 Si4 Sn2 -","2","1","","Fridrichová, Adéla; Mairychová, Barbora; Padělková, Zdeňka; Lyčka, Antonín; Jurkschat, Klaus; Jambor, Roman; Dostál, Libor","Straightforward synthesis of novel cyclic metallasiloxanes supported by an N,C,N-chelating ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16403","16411","10.1039/c3dt52230j","","","0.71073","MoKα","","0.0359","0.0266","","","0.0589","0.065","","","","","","1.078","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023989","17.5356","0.0003","16.2802","0.0003","21.3586","0.0004","90","","100.403","0.002","90","","5997.29","0.19","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H69 Cl N4 O4 Si2 Sn2 -","- C60 H68 N4 O4 Si2 Sn2 -","- C240 H272 N16 O16 Si8 Sn8 -","4","1","","Fridrichová, Adéla; Mairychová, Barbora; Padělková, Zdeňka; Lyčka, Antonín; Jurkschat, Klaus; Jambor, Roman; Dostál, Libor","Straightforward synthesis of novel cyclic metallasiloxanes supported by an N,C,N-chelating ligand.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16403","16411","10.1039/c3dt52230j","","","0.71073","MoKα","","0.0323","0.0234","","","0.0577","0.0587","","","","","","0.928","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7023990","18.798","0.004","18.798","0.004","40.774","0.008","90","","90","","120","","12478","4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C66 H105 I3 P6 Pt3 -","- C66 H105 I3 P6 Pt3 -","- C396 H630 I18 P36 Pt18 -","6","0.166667","","Samanta, Dipak; Mukherjee, Partha Sarathi","Pt(II)6 nanoscopic cages with an organometallic backbone as sensors for picric acid.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16784","16795","10.1039/c3dt52268g","","","0.71073","MoKα","","0.0608","0.044","","","0.1014","0.1069","","","","","","1.089","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023991","13.8634","0.0006","7.9011","0.0003","18.1937","0.0006","90","","90","","90","","1992.87","0.13","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H23 Fe N8 O2 -","- C20 H23 Fe N8 O2 -","- C80 H92 Fe4 N32 O8 -","4","1","","Herchel, Radovan; Trávníček, Zdeněk","5-Aminotetrazole induces spin crossover in iron(iii) pentadentate Schiff base complexes: experimental and theoretical investigations.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16279","16288","10.1039/c3dt52301b","","","0.71073","MoKα","","0.0399","0.035","","","0.0853","0.0873","","","","","","0.997","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023992","9.1208","0.0005","15.7138","0.0009","14.9519","0.0008","90","","102.762","0.001","90","","2090","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Au2 Cd N6 -","- C16 H14 Au2 Cd N6 -","- C64 H56 Au8 Cd4 N24 -","4","1","","Kitazawa, Takafumi; Hiruma, Kei; Sato, Hisako; Tamura, Kenji; Yamagishi, Akihiko","An emitting Hofmann-type compound: evidence for interlayer aurophilic interactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16680","16682","10.1039/c3dt52303a","","","0.71073","MoKα","","0.0641","0.0351","","","0.0705","0.0795","","","","","","0.979","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023993","32.799","0.002","7.9896","0.0004","7.292","0.0004","90","","90.511","0.002","90","","1910.8","0.18","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C21 H21 B F2 N2 O2 -","- C21 H21 B F2 N2 O2 -","- C84 H84 B4 F8 N8 O8 -","4","1","","Luo, Geng-Geng; Xia, Jiu-Xu; Fang, Kai; Zhao, Qing-Hua; Wu, Ji-Huai; Dai, Jing-Cao","Discovery of polymorphism-dependent emission for crystalline boron-dipyrromethene dye.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16268","16271","10.1039/c3dt52325j","","","0.71073","MoKα","","0.0728","0.0467","","","0.1169","0.1547","","","","","","1.094","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023994","7.9124","0.0013","14.511","0.002","17.33","0.003","86.939","0.003","77.665","0.003","75.267","0.003","1879.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 B F2 N2 O2 -","- C21 H21 B F2 N2 O2 -","- C84 H84 B4 F8 N8 O8 -","4","2","","Luo, Geng-Geng; Xia, Jiu-Xu; Fang, Kai; Zhao, Qing-Hua; Wu, Ji-Huai; Dai, Jing-Cao","Discovery of polymorphism-dependent emission for crystalline boron-dipyrromethene dye.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16268","16271","10.1039/c3dt52325j","","","0.71073","MoKα","","0.0697","0.0656","","","0.1884","0.1934","","","","","","1.085","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023995","8.3318","0.0013","12.0855","0.0017","18.61","0.002","90","","90","","90","","1873.9","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 B F2 N2 O2 -","- C21 H21 B F2 N2 O2 -","- C84 H84 B4 F8 N8 O8 -","4","1","","Luo, Geng-Geng; Xia, Jiu-Xu; Fang, Kai; Zhao, Qing-Hua; Wu, Ji-Huai; Dai, Jing-Cao","Discovery of polymorphism-dependent emission for crystalline boron-dipyrromethene dye.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16268","16271","10.1039/c3dt52325j","","","1.54184","CuKα","","0.0591","0.0504","","","0.1372","0.1479","","","","","","1.03","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023996","8.35","0.0011","8.7471","0.0012","12.0392","0.0017","90","","104.276","0.007","90","","852.2","0.2","200","2","200","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C8 H20 Cu2 O18 -","- C8 H20 Cu2 O18 -","- C16 H40 Cu4 O36 -","2","1","","Liu, Yen-Hsiang; Lee, Szu-Hsuan; Chiang, Jung-Chun; Chen, Po-Chen; Chien, Po-Hsiu; Yang, Chen-I","Dehydration induced 2D-to-3D crystal-to-crystal network re-assembly and ferromagnetism tuning within two chiral copper(ii)-tartrate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16857","16867","10.1039/c3dt52330f","","x-ray","0.71073","MoKα","","0.024","0.0233","","","0.0603","0.0607","","","","","","1.027","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023997","11.7511","0.0013","4.9808","0.0005","8.9689","0.0011","90","","90","","90","","524.95","0.1","200","2","200","2","","","","","","","synthesis as described","4","P 21 21 2","P 2 2ab","18","","","","- C4 H4 Cu O6 -","- C4 H4 Cu O6 -","- C16 H16 Cu4 O24 -","4","1","","Liu, Yen-Hsiang; Lee, Szu-Hsuan; Chiang, Jung-Chun; Chen, Po-Chen; Chien, Po-Hsiu; Yang, Chen-I","Dehydration induced 2D-to-3D crystal-to-crystal network re-assembly and ferromagnetism tuning within two chiral copper(ii)-tartrate coordination polymers.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16857","16867","10.1039/c3dt52330f","","x-ray","0.71073","MoKα","","0.0495","0.0368","","","0.0751","0.0788","","","","","","1.027","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023998","10.7517","0.0013","25.443","0.004","10.7326","0.0003","90","","94.725","0.0005","90","","2926","0.6","297","","297","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Fe O4 P S -","- C34 H31 Fe O4 P S -","- C136 H124 Fe4 O16 P4 S4 -","4","1","","Akutsu, Hiroki; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","Structures and properties of a BEDT-TTF-based organic charge transfer salt and the zwitterion of ferrocenesulfonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16351","16354","10.1039/c3dt52346b","","","0.71069","MoKα","","","0.0678","","","","0.0664","","","","","","1.127","","","","has coordinates","179944","2020-10-21","18:00:00",""
"7023999","8.3183","0.0018","11.743","0.003","20.589","0.004","85.4","0.008","86.244","0.007","89.038","0.007","2000.3","0.8","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Fe O5.5 S17 -","- C30 H30 Fe O5.5 S17 -","- C60 H60 Fe2 O11 S34 -","2","1","","Akutsu, Hiroki; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","Structures and properties of a BEDT-TTF-based organic charge transfer salt and the zwitterion of ferrocenesulfonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16351","16354","10.1039/c3dt52346b","","","0.71075","MoKα","","","0.0599","","","","0.1773","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024000","7.731","0.002","13.15","0.003","9.828","0.003","90","","95.638","0.005","90","","994.3","0.5","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Fe O3 S -","- C10 H9 Fe O3 S -","- C40 H36 Fe4 O12 S4 -","4","1","","Akutsu, Hiroki; Yamada, Jun-Ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","Structures and properties of a BEDT-TTF-based organic charge transfer salt and the zwitterion of ferrocenesulfonate.","Dalton transactions (Cambridge, England : 2003)","2013","42","46","16351","16354","10.1039/c3dt52346b","","","0.71075","MoKα","","","0.0352","","","","0.1","","","","","","1.051","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024001","18.23","0.0018","16.8816","0.0011","18.0042","0.001","90","","92.007","0.007","90","","5537.4","0.7","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 N8 Ni3 O10 P2 S4 -","- C52 H56 N8 Ni3 O10 P2 S4 -","- C208 H224 N32 Ni12 O40 P8 S16 -","4","0.5","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Rouzières, Mathieu; Clérac, Rodolphe; Garcia, Yann","From a mononuclear Ni(II) precursor to antiferromagnetically coupled trinuclear double-stranded helicates.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16470","16473","10.1039/c3dt52387j","","","0.71073","MoKα","","0.0817","0.0648","","","0.1726","0.184","","","","","","1.075","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024002","33.988","0.009","10.7792","0.001","23.245","0.006","90","","130.83","0.04","90","","6444","5","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 Cl4 N8 Ni3 O12 P2 S4 -","- C52 H56 Cl4 N8 Ni3 O12 P2 S4 -","- C208 H224 Cl16 N32 Ni12 O48 P8 S16 -","4","0.5","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Rouzières, Mathieu; Clérac, Rodolphe; Garcia, Yann","From a mononuclear Ni(II) precursor to antiferromagnetically coupled trinuclear double-stranded helicates.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16470","16473","10.1039/c3dt52387j","","","0.71073","MoKα","","0.087","0.0598","","","0.1579","0.1804","","","","","","1.004","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024003","33.853","0.019","10.6228","0.0011","23.605","0.013","90","","130.11","0.09","90","","6492","10","160","2","160","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C52 H52 Br4 N8 Ni3 O10 P2 S4 -","- C52 H52 Br4 N8 Ni3 O10 P2 S4 -","- C208 H208 Br16 N32 Ni12 O40 P8 S16 -","4","0.5","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Rouzières, Mathieu; Clérac, Rodolphe; Garcia, Yann","From a mononuclear Ni(II) precursor to antiferromagnetically coupled trinuclear double-stranded helicates.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16470","16473","10.1039/c3dt52387j","","","0.71073","MoKα","","0.1019","0.0713","","","0.1637","0.1808","","","","","","1.059","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024004","21.5717","","21.5717","","13.1003","0.0003","90","","90","","90","","6096.07","0.14","150","2","150","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C64 H64 Cu4 N8 O20 -","- C64 H64 Cu4 N8 O20 -","- C256 H256 Cu16 N32 O80 -","4","0.25","","Sutradhar, Manas; Kirillova, Marina V.; Guedes da Silva, M Fátima C; Liu, Cai-Ming; Pombeiro, Armando J. L.","Tautomeric effect of hydrazone Schiff bases in tetranuclear Cu(ii) complexes: magnetism and catalytic activity towards mild hydrocarboxylation of alkanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16578","16587","10.1039/c3dt52453a","","","0.71069","MoKα","","0.0304","0.0244","","","0.0708","0.0875","","","","","","1.225","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024005","12.0456","0.0007","23.9461","0.0013","24.6163","0.0013","97.909","0.002","90.993","0.003","95.943","0.002","6991.5","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 Cu4 N12 O26 -","- C56 H48 Cu4 N12 O26 -","- C224 H192 Cu16 N48 O104 -","4","2","","Sutradhar, Manas; Kirillova, Marina V.; Guedes da Silva, M Fátima C; Liu, Cai-Ming; Pombeiro, Armando J. L.","Tautomeric effect of hydrazone Schiff bases in tetranuclear Cu(ii) complexes: magnetism and catalytic activity towards mild hydrocarboxylation of alkanes.","Dalton transactions (Cambridge, England : 2003)","2013","42","47","16578","16587","10.1039/c3dt52453a","","","0.71069","MoKα","","0.0791","0.0535","","","0.1006","0.1039","","","","","","1.89","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024006","7.7646","0.0001","12.8687","0.0002","8.5469","0.0001","90","","116.241","0.001","90","","765.997","0.019","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","cyclophosphazene","","","- C6 H7 Cl3 F6 N3 O3 P3 -","- C6 H7 Cl3 F6 N3 O3 P3 -","- C12 H14 Cl6 F12 N6 O6 P6 -","2","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0223","0.0214","","","0.0543","0.0547","","","","","","1.045","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024007","8.61","0.0004","14.0284","0.0004","13.393","0.0007","90","","94.079","0.002","90","","1613.57","0.12","120","2","120","2","","","","","","","","7","C 1 c 1","C -2yc","9","cyclophosphazene","","","- C6 H7 Cl3 F6 N3 O3 P3 -","- C6 H7 Cl3 F6 N3 O3 P3 -","- C24 H28 Cl12 F24 N12 O12 P12 -","4","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0244","0.0221","","","0.055","0.0565","","","","","","1.067","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024008","7.8562","0.0011","12.7286","0.0018","8.6574","0.0012","90","","111.409","0.006","90","","806","0.2","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","fosfazen","","","- C7 H10 Cl2 F6 N3 O4 P3 -","- C7 H10 Cl2 F6 N3 O4 P3 -","- C14 H20 Cl4 F12 N6 O8 P6 -","2","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0209","0.0203","","","0.0536","0.0539","","","","","","1.03","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024009","6.5257","0.0008","8.4635","0.001","15.8","0.0019","76.146","0.006","78.797","0.005","89.58","0.005","830.4","0.18","120","2","120","2","","","","","","","","7","P -1","-P 1","2","cyclophosphazene","","","- C7 H10 Cl2 F6 N3 O4 P3 -","- C7 H10 Cl2 F6 N3 O4 P3 -","- C14 H20 Cl4 F12 N6 O8 P6 -","2","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0368","0.035","","","0.0901","0.0918","","","","","","1.05","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024010","14.6768","0.0014","13.2608","0.0014","17.1259","0.0018","90","","90","","90","","3333.1","0.6","130","2","130","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","fosfazen","","","- C7 H10 Cl2 F6 N3 O4 P3 -","- C7 H10 Cl2 F6 N3 O4 P3 -","- C56 H80 Cl16 F48 N24 O32 P24 -","8","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0574","0.0484","","","0.1295","0.1383","","","","","","1.046","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024011","7.9206","0.0007","12.5912","0.0012","17.278","0.0016","90","","92.146","0.005","90","","1721.9","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","cyclophosphazene","","","- C8 H13 Cl F6 N3 O5 P3 -","- C8 H13 Cl F6 N3 O5 P3 -","- C32 H52 Cl4 F24 N12 O20 P12 -","4","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0483","0.0382","","","0.0946","0.1013","","","","","","1.039","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024012","8.1912","0.0008","12.8636","0.0012","9.3727","0.0009","90","","114.478","0.004","90","","898.82","0.15","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","cyclophosphazene","","","- C9 H16 F6 N3 O6 P3 -","- C9 H16 F6 N3 O6 P3 -","- C18 H32 F12 N6 O12 P6 -","2","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0227","0.0221","","","0.0599","0.0603","","","","","","1.071","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024013","8.9174","0.0008","8.0071","0.0007","25.359","0.002","90","","96.467","0.004","90","","1799.2","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","cyclophosphazene","","","- C7 H7 Cl3 F8 N3 O3 P3 -","- C7 H7 Cl3 F8 N3 O3 P3 -","- C28 H28 Cl12 F32 N12 O12 P12 -","4","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0372","0.0344","","","0.0865","0.0883","","","","","","1.1","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024014","9.354","0.002","10.499","0.002","10.863","0.003","103.714","0.009","109.372","0.008","105.644","0.009","904.4","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","cyclophosphazene","","","- C8 H10 Cl2 F8 N3 O4 P3 -","- C8 H10 Cl2 F8 N3 O4 P3 -","- C16 H20 Cl4 F16 N6 O8 P6 -","2","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0293","0.0272","","","0.0709","0.0721","","","","","","1.088","","","","has coordinates,has disorder","179945","2020-10-21","18:00:00",""
"7024015","9.2665","0.0016","10.899","0.002","10.973","0.002","103.989","0.009","108.557","0.009","107.445","0.009","930","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C9 H13 Cl F8 N3 O5 P3 -","- C9 H13 Cl F8 N3 O5 P3 -","- C18 H26 Cl2 F16 N6 O10 P6 -","2","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0488","0.0466","","","0.1113","0.113","","","","","","1.068","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024016","14.8998","0.0007","6.4328","0.0003","20.6068","0.001","90","","107.967","0.002","90","","1878.79","0.16","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 F8 N3 O6 P3 -","- C10 H16 F8 N3 O6 P3 -","- C40 H64 F32 N12 O24 P12 -","4","1","","Beşli, Serap; Mutlu, Ceylan; Yuksel, Fatma","Nucleophilic substitution reactions of 10- and 11-membered fluorodioxy ansa cyclotriphosphazene derivatives.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16709","16722","10.1039/c3dt52461b","","","0.71073","MoKα","","0.0668","0.0582","","","0.1487","0.1557","","","","","","1.041","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024017","8.5178","0.0008","10.1345","0.0009","11.4603","0.001","76.101","0.001","87.283","0.001","84.206","0.001","955.15","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","mu-[N,N'-Bis(methyltrifluoroacetylmetylmethylidene)terephnaloyldihydrazinato(-4)] tetrkis(pyridine)dicopper(2+)","","- C38 H32 Cu2 F6 N8 O4 -","- C38 H32 Cu2 F6 N8 O4 -","- C38 H32 Cu2 F6 N8 O4 -","1","0.5","","Shul'gin, Victor F.; Konnik, Oleg V.; Gusev, Alexey N.; Boča, Roman; Dlháň, Lubor; Rusanov, Eduard B.; Alexandrov, Grygory G.; Eremenko, Igor L.; Linert, Wolfgang","Spacer-armed copper(ii) complexes with benzenecarboxylic acids and trifluoroacetylacetone aroylhydrazones.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16878","16886","10.1039/c3dt52483c","","","0.71073","MoKα","","0.0633","0.0441","","","0.1147","0.1315","","","","","","1","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024018","12.6441","0.0004","18.1616","0.0006","18.3761","0.0006","118.943","0.001","107.308","0.001","90.689","0.001","3463.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","mu3-[N,N',N''-Tris(methyltrifluoroacetylmethylmethylidene) trimesoyltrihydrazine hexa(pyridine)tricopper(2+) pyridine solvate","","- C61.5 H54.5 Cu3 F9 N13.5 O7 -","- C61.5 H52.5 Cu3 F9 N13.5 O7 -","- C123 H105 Cu6 F18 N27 O14 -","2","1","","Shul'gin, Victor F.; Konnik, Oleg V.; Gusev, Alexey N.; Boča, Roman; Dlháň, Lubor; Rusanov, Eduard B.; Alexandrov, Grygory G.; Eremenko, Igor L.; Linert, Wolfgang","Spacer-armed copper(ii) complexes with benzenecarboxylic acids and trifluoroacetylacetone aroylhydrazones.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16878","16886","10.1039/c3dt52483c","","","0.71073","MoKα","","0.1163","0.0754","","","0.212","0.2532","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7024019","17.122","0.003","16.141","0.002","9.4508","0.0012","90","","90","","90","","2611.9","0.7","123","","123","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H32 Fe O2 Si4 -","- C22 H32 Fe O2 Si4 -","- C88 H128 Fe4 O8 Si16 -","4","1","","Sunada, Yusuke; Tsutsumi, Hironori; Shigeta, Keisuke; Yoshida, Ryota; Hashimoto, Toru; Nagashima, Hideo","Catalyst design for iron-promoted reductions: an iron disilyl-dicarbonyl complex bearing weakly coordinating η(2)-(H-Si) moieties.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16687","16692","10.1039/c3dt52598h","","","0.71075","MoKα","","","0.0558","","","","0.1434","","","","","","1.067","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024020","16.522","0.004","9.0451","0.0018","15.932","0.004","90","","116.341","0.003","90","","2133.7","0.9","123","","123","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C17 H28 Fe O2 S2 Si2 -","- C17 H28 Fe O2 S2 Si2 -","- C68 H112 Fe4 O8 S8 Si8 -","4","1","","Sunada, Yusuke; Tsutsumi, Hironori; Shigeta, Keisuke; Yoshida, Ryota; Hashimoto, Toru; Nagashima, Hideo","Catalyst design for iron-promoted reductions: an iron disilyl-dicarbonyl complex bearing weakly coordinating η(2)-(H-Si) moieties.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16687","16692","10.1039/c3dt52598h","","","0.71075","MoKα","","","0.0272","","","","0.0652","","","","","","1.08","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024021","9.3382","0.0012","9.6932","0.0012","10.4978","0.0014","76.994","0.006","64.923","0.006","70.853","0.006","808.93","0.19","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C30 H40 Fe N2 S6 -","- C30 H40 Fe N2 S6 -","- C30 H40 Fe N2 S6 -","1","0.5","","Le Gal, Yann; Bellec, Nathalie; Barrière, Frédéric; Clérac, Rodolphe; Fourmigué, Marc; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","A sulfur rich electron acceptor and its [Fe(Cp*)2](+) charge transfer salt with ferromagnetic interactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16672","16675","10.1039/c3dt52725e","","x-ray","0.71073","MoKα","","0.0519","0.0396","","","0.0911","0.0983","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7024022","7.4387","0.0005","8.1655","0.0007","12.5242","0.0009","108.826","0.004","101.941","0.004","91.319","0.004","701.13","0.09","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C10 H10 N2 S6 -","- C10 H10 N2 S6 -","- C20 H20 N4 S12 -","2","1","","Le Gal, Yann; Bellec, Nathalie; Barrière, Frédéric; Clérac, Rodolphe; Fourmigué, Marc; Dorcet, Vincent; Roisnel, Thierry; Lorcy, Dominique","A sulfur rich electron acceptor and its [Fe(Cp*)2](+) charge transfer salt with ferromagnetic interactions.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16672","16675","10.1039/c3dt52725e","","x-ray","0.71073","MoKα","","0.0417","0.0332","","","0.0716","0.075","","","","","","1.033","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7024023","7.432","0.006","11.285","0.002","25.701","0.012","90","","90","","90","","2156","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Cl O2 Ru -","- C25 H25 Cl O2 Ru -","- C100 H100 Cl4 O8 Ru4 -","4","1","","Rodríguez-Bárzano, Andrea; Blacker, A. John; McGowan, Patrick C.","Synthesis and characterisation of tetramethylfulvene complexes of ruthenium.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16669","16671","10.1039/c3dt52747f","","","0.71073","MoKα","","0.0888","0.0843","","","0.1642","0.1667","","","","","","1.21","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7024024","8.775","0.0014","24.948","0.004","14.7032","0.0018","90","","124.722","0.007","90","","2645.6","0.7","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H37 Cl3 Ru2 -","- C27 H37 Cl3 Ru2 -","- C108 H148 Cl12 Ru8 -","4","1","","Rodríguez-Bárzano, Andrea; Blacker, A. John; McGowan, Patrick C.","Synthesis and characterisation of tetramethylfulvene complexes of ruthenium.","Dalton transactions (Cambridge, England : 2003)","2013","42","48","16669","16671","10.1039/c3dt52747f","","","0.71073","MoKα","","0.1191","0.069","","","0.1434","0.1706","","","","","","1.019","","","","has coordinates","179945","2020-10-21","18:00:00",""
"7029894","16.3433","0.0008","11.3928","0.0006","16.7688","0.0008","90","","106.838","0.002","90","","2988.4","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 Fe N2 O3 -","- C33 H38 Fe N2 O3 -","- C132 H152 Fe4 N8 O12 -","4","1","","Janes, Trevor; Rawson, Jeremy M.; Song, Datong","Syntheses and structures of Li, Fe, and Mo derivatives of N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamine.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10640","10648","10.1039/c3dt51063h","","","0.71073","MoKα","","0.1224","0.057","","","0.1111","0.1328","","","","","","1.005","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029895","10.5211","0.0006","17.3327","0.0011","17.7438","0.0017","90","","91.243","0.004","90","","3235","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H46 Fe N2 -","- C37 H46 Fe N2 -","- C148 H184 Fe4 N8 -","4","1","","Janes, Trevor; Rawson, Jeremy M.; Song, Datong","Syntheses and structures of Li, Fe, and Mo derivatives of N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamine.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10640","10648","10.1039/c3dt51063h","","","0.71073","MoKα","","0.0493","0.035","","","0.0855","0.0927","","","","","","1.02","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029896","10.9983","0.0004","17.1078","0.0007","11.1127","0.0004","90","","110.887","0.002","90","","1953.52","0.13","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H62 Li2 N2 O3 -","- C42 H62 Li2 N2 O3 -","- C84 H124 Li4 N4 O6 -","2","1","","Janes, Trevor; Rawson, Jeremy M.; Song, Datong","Syntheses and structures of Li, Fe, and Mo derivatives of N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamine.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10640","10648","10.1039/c3dt51063h","","","0.71073","MoKα","","0.031","0.0296","","","0.0779","0.0791","","","","","","1.027","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7029897","21.8154","0.0018","25.039","0.003","16.3773","0.0013","90","","118.185","0.004","90","","7885.1","1.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C76 H108 Cl2 Li2 Mo N4 O4 -","- C76 H108 Cl2 Li2 Mo N4 O4 -","- C304 H432 Cl8 Li8 Mo4 N16 O16 -","4","0.5","","Janes, Trevor; Rawson, Jeremy M.; Song, Datong","Syntheses and structures of Li, Fe, and Mo derivatives of N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamine.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10640","10648","10.1039/c3dt51063h","","","0.71073","MoKα","","0.1277","0.082","","","0.17","0.1829","","","","","","1.061","","","","has coordinates,has disorder","180004","2020-10-21","18:00:00",""
"7029898","10.412","0.0005","10.412","0.0005","29.2952","0.0015","90","","90","","90","","3175.9","0.3","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C34 H48 Li N2 O -","- C34 H48 Li N2 O -","- C136 H192 Li4 N8 O4 -","4","0.5","","Janes, Trevor; Rawson, Jeremy M.; Song, Datong","Syntheses and structures of Li, Fe, and Mo derivatives of N,N'-bis(2,6-diisopropylphenyl)-o-phenylenediamine.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10640","10648","10.1039/c3dt51063h","","","0.71073","MoKα","","0.0823","0.0587","","","0.1633","0.1855","","","","","","1.016","","","","has coordinates,has disorder","180004","2020-10-21","18:00:00",""
"7030061","9.3156","0.0003","11.3309","0.0004","11.4462","0.0004","87.536","0.003","67.466","0.003","68.565","0.003","1032.12","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 As2 Au2 Cl2 -","- C17 H22 As2 Au2 Cl2 -","- C34 H44 As4 Au4 Cl4 -","2","1","","Mirzadeh, Nedaossadat; Drumm, Daniel W.; Wagler, Jörg; Russo, Salvy P.; Bhargava, Suresh","Different solvates of the dinuclear cyclometallated gold(I) complex [Au2(μ-2-C6H4AsMe2)2]: a computational study insight into solvent-effected optical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12883","12890","10.1039/c3dt50219h","","","0.71073","MoKα","","0.0371","0.0315","","","0.0723","0.0743","","","","","","1.113","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7030062","20.4432","0.0007","10.8953","0.0005","36.35","0.0012","90","","97.413","0.003","90","","8028.7","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H47 As4 Au4 Cl O1.5 -","- C34 H47 As4 Au4 Cl O1.5 -","- C272 H376 As32 Au32 Cl8 O12 -","8","1","","Mirzadeh, Nedaossadat; Drumm, Daniel W.; Wagler, Jörg; Russo, Salvy P.; Bhargava, Suresh","Different solvates of the dinuclear cyclometallated gold(I) complex [Au2(μ-2-C6H4AsMe2)2]: a computational study insight into solvent-effected optical properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12883","12890","10.1039/c3dt50219h","","","0.71073","MoKα","","0.0661","0.0355","","","0.0709","0.0788","","","","","","0.956","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7030063","14.044","0.0013","42.816","0.003","17.341","0.0016","90","","114.915","0.002","90","","9456.9","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H94 O13 Sb4 -","- C108 H94 O13 Sb4 -","- C432 H376 O52 Sb16 -","4","1","","Jiang, Jin; Yin, Handong; Wang, Fangli; Han, Zhong; Wang, Fei; Cheng, Shuang; Hong, Min","Novel tetranuclear triarylantimony(V) complexes with (±)-mandelic acid ligands: synthesis, characterization, in vitro cytotoxicity and DNA binding properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8563","8566","10.1039/c3dt50221j","","","0.71073","MoKα","","0.1053","0.0693","","","0.1335","0.1497","","","","","","1.128","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030064","11.6366","0.0007","14.5216","0.0008","16.3719","0.001","75.246","0.001","84.121","0.002","72.07","0.001","2544.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10.18 H8.36 F1.09 O1.27 Sb0.36 -","- C10.1818 H8.36364 F1.09091 O1.27273 Sb0.363636 -","- C112 H92 F12 O14 Sb4 -","11","5.5","","Jiang, Jin; Yin, Handong; Wang, Fangli; Han, Zhong; Wang, Fei; Cheng, Shuang; Hong, Min","Novel tetranuclear triarylantimony(V) complexes with (±)-mandelic acid ligands: synthesis, characterization, in vitro cytotoxicity and DNA binding properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8563","8566","10.1039/c3dt50221j","","","0.71073","MoKα","","0.0844","0.0475","","","0.094","0.1183","","","","","","1.081","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030065","13.7102","0.0012","14.5439","0.0014","23.0914","0.0019","87.379","0.001","85.618","0.001","89.104","0.002","4585.8","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H72 F12 O12 Sb4 -","- C104 H72 F12 O12 Sb4 -","- C208 H144 F24 O24 Sb8 -","2","1","","Jiang, Jin; Yin, Handong; Wang, Fangli; Han, Zhong; Wang, Fei; Cheng, Shuang; Hong, Min","Novel tetranuclear triarylantimony(V) complexes with (±)-mandelic acid ligands: synthesis, characterization, in vitro cytotoxicity and DNA binding properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8563","8566","10.1039/c3dt50221j","","","0.71073","MoKα","","0.211","0.0928","","","0.201","0.2833","","","","","","1.053","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030066","25.7941","0.0009","16.1264","0.0006","49.486","0.002","90","","103.146","0.004","90","","20045","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H58 F36 O13 Sb4 -","- C108 H58 F36 O13 Sb4 -","- C864 H464 F288 O104 Sb32 -","8","1","","Jiang, Jin; Yin, Handong; Wang, Fangli; Han, Zhong; Wang, Fei; Cheng, Shuang; Hong, Min","Novel tetranuclear triarylantimony(V) complexes with (±)-mandelic acid ligands: synthesis, characterization, in vitro cytotoxicity and DNA binding properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8563","8566","10.1039/c3dt50221j","","","0.71073","MoKα","","0.1085","0.0726","","","0.1201","0.1359","","","","","","1.18","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030067","15.7459","0.0013","10.852","0.0009","10.6081","0.0011","90","","106.483","0.001","90","","1738.2","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H11 Cl2 F3 Sb -","- C18 H11 Cl2 F3 Sb -","- C72 H44 Cl8 F12 Sb4 -","4","0.5","","Jiang, Jin; Yin, Handong; Wang, Fangli; Han, Zhong; Wang, Fei; Cheng, Shuang; Hong, Min","Novel tetranuclear triarylantimony(V) complexes with (±)-mandelic acid ligands: synthesis, characterization, in vitro cytotoxicity and DNA binding properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8563","8566","10.1039/c3dt50221j","","","0.71073","MoKα","","0.0396","0.0335","","","0.0814","0.0877","","","","","","1.089","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030068","16.3902","0.0013","11.1424","0.0006","10.7202","0.0005","90","","103.822","0.001","90","","1901.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 Cl2 F9 Sb -","- C18 H6 Cl2 F9 Sb -","- C72 H24 Cl8 F36 Sb4 -","4","0.5","","Jiang, Jin; Yin, Handong; Wang, Fangli; Han, Zhong; Wang, Fei; Cheng, Shuang; Hong, Min","Novel tetranuclear triarylantimony(V) complexes with (±)-mandelic acid ligands: synthesis, characterization, in vitro cytotoxicity and DNA binding properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8563","8566","10.1039/c3dt50221j","","","0.71073","MoKα","","0.0374","0.0285","","","0.0652","0.0717","","","","","","1.127","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030069","14.6332","0.0008","18.2552","0.0007","15.3949","0.0009","90","","118.235","0.007","90","","3623.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 F3 Sb -","- C18 H12 Cl2 F3 Sb -","- C144 H96 Cl16 F24 Sb8 -","8","2","","Jiang, Jin; Yin, Handong; Wang, Fangli; Han, Zhong; Wang, Fei; Cheng, Shuang; Hong, Min","Novel tetranuclear triarylantimony(V) complexes with (±)-mandelic acid ligands: synthesis, characterization, in vitro cytotoxicity and DNA binding properties.","Dalton transactions (Cambridge, England : 2003)","2013","42","24","8563","8566","10.1039/c3dt50221j","","","0.71073","MoKα","","0.0848","0.0424","","","0.0638","0.0755","","","","","","1.029","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030070","13.0153","0.0011","18.5286","0.0016","6.1583","0.0004","90","","90","","90","","1485.1","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba4 Cr F4 Ga2 S6 -","- Ba4 Cr F4 Ga2 S6 -","- Ba16 Cr4 F16 Ga8 S24 -","4","0.5","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Li, Yuan-Bing; Zhang, Hao; Zhang, Wei-Long; He, Zhang-Zhen","Syntheses and characterizations of compounds Ba4F4XGa2S6 (X = Cr, Mn, Fe) and Ba4F4MnIn2S6 with 2D layered structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9938","9945","10.1039/c3dt50483b","","","0.71073","MoKα","","0.0589","0.0376","","","0.1363","0.1576","","","","","","0.996","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030071","18.834","0.002","6.1565","0.0008","12.8039","0.0016","90","","90","","90","","1484.6","0.3","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- Ba4 F4 Ga2 Mn S6 -","- Ba4 F4 Ga2 Mn S6 -","- Ba16 F16 Ga8 Mn4 S24 -","4","","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Li, Yuan-Bing; Zhang, Hao; Zhang, Wei-Long; He, Zhang-Zhen","Syntheses and characterizations of compounds Ba4F4XGa2S6 (X = Cr, Mn, Fe) and Ba4F4MnIn2S6 with 2D layered structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9938","9945","10.1039/c3dt50483b","","","0.71073","MoKα","","0.051","0.0475","","","0.116","0.1185","","","","","","1.182","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030072","12.694","0.008","18.867","0.013","6.116","0.004","90","","90","","90","","1464.8","1.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba4 F4 Fe Ga2 S6 -","- Ba4 F4 Fe Ga2 S6 -","- Ba16 F16 Fe4 Ga8 S24 -","4","0.5","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Li, Yuan-Bing; Zhang, Hao; Zhang, Wei-Long; He, Zhang-Zhen","Syntheses and characterizations of compounds Ba4F4XGa2S6 (X = Cr, Mn, Fe) and Ba4F4MnIn2S6 with 2D layered structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9938","9945","10.1039/c3dt50483b","","","0.71073","MoKα","","0.0608","0.0415","","","0.1325","0.1537","","","","","","0.991","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030073","12.926","0.006","18.91","0.008","6.363","0.003","90","","90","","90","","1555.3","1.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- Ba4 F4 In2 Mn S6 -","- Ba4 F4 In2 Mn S6 -","- Ba16 F16 In8 Mn4 S24 -","4","0.5","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Li, Yuan-Bing; Zhang, Hao; Zhang, Wei-Long; He, Zhang-Zhen","Syntheses and characterizations of compounds Ba4F4XGa2S6 (X = Cr, Mn, Fe) and Ba4F4MnIn2S6 with 2D layered structures.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9938","9945","10.1039/c3dt50483b","","","0.71073","MoKα","","0.0619","0.0425","","","0.1549","0.1753","","","","","","1.113","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030074","10.405","0.003","24.813","0.007","19.681","0.005","90","","106.2","0.013","90","","4879","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 N7 O13 Zn2 -","- C48 H42 N7 O13 Zn2 -","- C192 H168 N28 O52 Zn8 -","4","1","","Liu, Bo; Li, Dong-Sheng; Hou, Lei; Yang, Guo-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","An unprecedented acylamide-functionalized 2D →3D microporous metal-organic polycatenation framework exhibiting highly selective CO2 capture.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9822","9825","10.1039/c3dt50997d","","","0.71073","MoKα","","0.1158","0.0559","","","0.1203","0.1501","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7030075","13.069","0.008","6.218","0.004","4.402","0.003","90","","90","","90","","357.7","0.4","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Br Cl Hg -","- Br Cl Hg -","- Br4 Cl4 Hg4 -","4","0.5","","Dang, Yangyang; Meng, Xianggao; Jiang, Kui; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","A promising nonlinear optical material in the Mid-IR region: new results on synthesis, crystal structure and properties of noncentrosymmetric β-HgBrCl.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9893","9897","10.1039/c3dt50291k","","","0.71073","MoKα","","0.0629","0.0383","","","0.0918","0.1039","","","","","","1.057","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030076","4.159","0.0017","6.785","0.003","13.175","0.005","90","","90","","90","","371.8","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Br Cl Hg -","- Br Cl Hg -","- Br4 Cl4 Hg4 -","4","1","","Dang, Yangyang; Meng, Xianggao; Jiang, Kui; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","A promising nonlinear optical material in the Mid-IR region: new results on synthesis, crystal structure and properties of noncentrosymmetric β-HgBrCl.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9893","9897","10.1039/c3dt50291k","","","0.71073","MoKα","","0.0562","0.0521","","","0.1235","0.1257","","","","","","1.045","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030077","21.8496","0.0016","21.8496","0.0016","44.606","0.004","90","","90","","120","","18442","3","296","2","296","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- B6 Na14 Ni8 O122 Si2 W18 -","- B6 Na13.5967 Ni8 O107.08 Si2 W18 -","- B36 Na81.58 Ni48 O642.48 Si12 W108 -","6","0.5","","Li, Shujun; Liu, Shuxia; Tang, Qun; Liu, Yiwei; He, Danfeng; Wang, Shengtian; Shi, Zhan","Borate-templated self-assembly of multinuclear nickel(II)-containing POMs.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13319","13322","10.1039/c3dt51201k","","","0.71073","MoKα","","0.0885","0.0633","","","0.1377","0.1478","","","","","","1.099","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030078","20.919","0.002","22.998","0.003","23.393","0.003","70.983","0.002","87.26","0.002","63.067","0.002","9419","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- B3 Na20 Ni12 O167 P Si3 W27 -","- B3 Na19.13 Ni12 O154.5 P Si3 W27 -","- B6 Na38.26 Ni24 O309 P2 Si6 W54 -","2","1","","Li, Shujun; Liu, Shuxia; Tang, Qun; Liu, Yiwei; He, Danfeng; Wang, Shengtian; Shi, Zhan","Borate-templated self-assembly of multinuclear nickel(II)-containing POMs.","Dalton transactions (Cambridge, England : 2003)","2013","42","37","13319","13322","10.1039/c3dt51201k","","","0.71073","MoKα","","0.1962","0.0833","","","0.1767","0.225","","","","","","0.989","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030079","22.1161","0.0004","15.9756","0.0003","10.1949","0.0002","90","","100.05","0.002","90","","3546.77","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 Dy O12 -","- C15 H15 Dy O12 -","- C120 H120 Dy8 O96 -","8","1","","Bartolomé, Elena; Bartolomé, Juan; Melnic, Silvia; Prodius, Denis; Shova, Sergiu; Arauzo, Ana; Luzón, Javier; Luis, Fernando; Turta, Constantin","{Dy(α-fur)3}n: from double relaxation single-ion magnet behavior to 3D ordering.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10153","10171","10.1039/c3dt51080h","","","0.7107","MoKα","","0.0357","0.0291","","","0.0603","0.064","","","","","","1.04","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030080","7.63","0.0004","10.8699","0.0007","11.767","0.0007","81.286","0.001","84.177","0.001","75.626","0.001","932.38","0.1","103","2","103","2","","","","","","","","5","P 1","P 1","1","","L-aqua(1,10-phenanthroline)(5-methyloxazolidine)copper(II) nitrate hydrate","","- C17 H19.25 Cu N4 O7.63 -","- C17 H19.25 Cu N4 O7.625 -","- C34 H38.5 Cu2 N8 O15.25 -","2","2","","Ng, Chew-Hee; Wang, Wai-San; Chong, Kok-Vei; Win, Yip-Foo; Neo, Kian-Eang; Lee, Hong-Boon; San, Swee-Lan; Raja Abd Rahman, Raja Noor Zaliha; Leong, Weng Kee","Ternary copper(II)-polypyridyl enantiomers: aldol-type condensation, characterization, DNA-binding recognition, BSA-binding and anticancer property.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10233","10243","10.1039/c3dt50884f","","","0.71073","MoKα","","0.029","0.0272","","","0.0703","0.0714","","","","","","1.043","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030081","7.6383","0.0003","10.8787","0.0004","11.775","0.0004","81.25","0.002","84.085","0.002","75.541","0.002","934.26","0.06","100","2","100","2","","","","","","","","5","P 1","P 1","1","","D-aqua(1,10-phenanthroline)(5-Methyloxazolidine)copper(II) nitrate","","- C17 H19.25 Cu N4 O7.63 -","- C17 H19.25 Cu N4 O7.625 -","- C34 H38.5 Cu2 N8 O15.25 -","2","2","","Ng, Chew-Hee; Wang, Wai-San; Chong, Kok-Vei; Win, Yip-Foo; Neo, Kian-Eang; Lee, Hong-Boon; San, Swee-Lan; Raja Abd Rahman, Raja Noor Zaliha; Leong, Weng Kee","Ternary copper(II)-polypyridyl enantiomers: aldol-type condensation, characterization, DNA-binding recognition, BSA-binding and anticancer property.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10233","10243","10.1039/c3dt50884f","","","0.71073","MoKα","","0.0367","0.0337","","","0.0873","0.0938","","","","","","1.074","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030082","8.4294","0.0014","10.0642","0.0016","13.427","0.002","102.327","0.002","99.113","0.002","90.022","0.002","1098.1","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C15 H31 Cl Cu F6 N5 P -","- C15 H31 Cl Cu F6 N5 P -","- C30 H62 Cl2 Cu2 F12 N10 P2 -","2","1","","Funasako, Yusuke; Nosho, Misaki; Mochida, Tomoyuki","Ionic liquids from copper(II) complexes with alkylimidazole-containing tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10138","10143","10.1039/c3dt50976a","","","0.71073","MoKα","","0.0244","0.0229","","","0.0584","0.0596","","","","","","1.037","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030083","8.1069","0.0014","8.5666","0.0015","20.655","0.004","87.973","0.002","79.639","0.002","63.172","0.002","1257.5","0.4","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C15 H27 Cl Cu F6 N6 O4 S2 -","- C15 H27 Cl Cu F6 N6 O4 S2 -","- C30 H54 Cl2 Cu2 F12 N12 O8 S4 -","2","1","","Funasako, Yusuke; Nosho, Misaki; Mochida, Tomoyuki","Ionic liquids from copper(II) complexes with alkylimidazole-containing tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10138","10143","10.1039/c3dt50976a","","","0.71073","MoKα","","0.0518","0.0486","","","0.1173","0.1204","","","","","","1.031","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030084","12.236","0.005","15.751","0.005","16.495","0.005","90","","128.831","0.019","90","","2476.5","1.6","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Cl Cu F6 N5 O4 S2 -","- C14 H30 Cl Cu F6 N5 O4 S2 -","- C56 H120 Cl4 Cu4 F24 N20 O16 S8 -","4","1","","Funasako, Yusuke; Nosho, Misaki; Mochida, Tomoyuki","Ionic liquids from copper(II) complexes with alkylimidazole-containing tripodal ligands.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10138","10143","10.1039/c3dt50976a","","","0.71073","MoKα","","0.0687","0.061","","","0.1482","0.1551","","","","","","1.05","","","","has coordinates,has disorder","180006","2020-10-21","18:00:00",""
"7030085","10.268","0.004","10.538","0.004","20.356","0.008","102.51","0.02","96.79","0.03","104.38","0.02","2048.2","1.4","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Br2 P4 Pt -","- C42 H42 Br2 P4 Pt -","- C84 H84 Br4 P8 Pt2 -","2","1","","Fernández-Anca, Damián; García-Seijo, M Inés; García-Fernández, M Esther","Tuneable reactivity with PPh3 and SnX2 of four- and five-coordinate Pd(II) and Pt(II) complexes containing polyphosphines.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10221","10232","10.1039/c3dt32611j","","","0.71073","MoKα","","0.0521","0.0357","","","0.0725","0.0771","","","","","","1.019","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030086","10.259","0.003","10.609","0.003","20.307","0.006","102.299","0.016","96.27","0.02","105.01","0.018","2053.9","1.1","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 Cl I P4 Pt -","- C42 H42 Cl I P4 Pt -","- C84 H84 Cl2 I2 P8 Pt2 -","2","1","","Fernández-Anca, Damián; García-Seijo, M Inés; García-Fernández, M Esther","Tuneable reactivity with PPh3 and SnX2 of four- and five-coordinate Pd(II) and Pt(II) complexes containing polyphosphines.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10221","10232","10.1039/c3dt32611j","","","0.71073","MoKα","","0.0616","0.0426","","","0.0888","0.0969","","","","","","1.011","","","","has coordinates","180006","2020-10-21","18:00:00",""
"7030087","11.756","0.002","13.916","0.003","15.594","0.003","105.645","0.003","99.023","0.003","102.653","0.003","2332.8","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[Pt(PP(PO)2)2]Cl2Â.DMSOÂ.5.5H2O","","- C86 H101 Cl2 O10.5 P8 Pt S -","- C86 H90 Cl2 O10.5 P8 Pt S -","- C86 H90 Cl2 O10.5 P8 Pt S -","1","0.5","","Fernández-Anca, Damián; García-Seijo, M Inés; García-Fernández, M Esther","Tuneable reactivity with PPh3 and SnX2 of four- and five-coordinate Pd(II) and Pt(II) complexes containing polyphosphines.","Dalton transactions (Cambridge, England : 2003)","2013","42","28","10221","10232","10.1039/c3dt32611j","","","0.71073","MoKα","","0.043","0.0383","","","0.1042","0.1084","","","","","","1.12","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052970","4.8685","0.0003","17.2207","0.0012","17.2062","0.0015","90","","91.668","0.007","90","","1441.94","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 N2 O12 -","- C8 H16 N2 O12 -","- C32 H64 N8 O48 -","4","1","","Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia","From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid","New Journal of Chemistry","2013","37","1","97","","10.1039/c2nj40379j","","","0.71073","MoKα","","0.1464","0.1065","","","0.2271","0.2465","","","","","","1.255","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052971","14.3723","0.0008","6.2614","0.0004","9.1815","0.0005","90","","92.112","0.004","90","","825.69","0.08","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","from C:/Iacopo_serina_ox/lserox_best1.cif","","","- C5 N O7 -","- C5 H7.5 N O7 -","- C20 H30 N4 O28 -","4","2","","Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia","From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid","New Journal of Chemistry","2013","37","1","97","","10.1039/c2nj40379j","powder diffraction","","1.5406","CuKα","","","","","","","","","","2.85","","","","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052972","4.8832","0.0006","11.9276","0.0014","12.4798","0.0015","90","","92.018","0.01","90","","726.43","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H20 N2 O12 -","- C8 H16 N2 O12 -","- C16 H32 N4 O24 -","2","1","","Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia","From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid","New Journal of Chemistry","2013","37","1","97","","10.1039/c2nj40379j","","","0.71073","MoKα","","0.1904","0.0963","","","0.136","0.1693","","","","","","1.149","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052973","12.5711","0.0006","11.2144","0.0005","5.2079","0.0002","90","","100.529","0.003","90","","721.83","0.06","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","from C:/2_1mono/sol2acqua_best8.cif","","","- C8 N2 O12 -","- C8 H16 N2 O12 -","- C16 H32 N4 O24 -","2","1","","Braga, Dario; Chelazzi, Laura; Ciabatti, Iacopo; Grepioni, Fabrizia","From 3D channelled frameworks to 2D layered structures in molecular salts of l-serine and dl-serine with oxalic acid","New Journal of Chemistry","2013","37","1","97","","10.1039/c2nj40379j","powder diffraction","","1.5406","CuKα","","","","","","","","","","1.78","","","","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052974","11.7238","0.0011","11.7563","0.0011","13.1508","0.0012","109.956","0.001","94.499","0.002","110.922","0.002","1549.4","0.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H30 F12 N6 P2 Ru S3 -","- C21 H30 F12 N6 P2 Ru S3 -","- C42 H60 F24 N12 P4 Ru2 S6 -","2","1","","Todd, Adam M.; Swinburne, Adam N.; Goeta, Andrés E.; Steed, Jonathan W.","Anion receptor coordination tripods capped by [9]ane-S3","New Journal of Chemistry","2013","37","1","89","","10.1039/c2nj40401j","","","0.71073","MoKα","","0.0348","0.0296","","","0.0703","0.073","","","","","","1.028","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052975","7.7341","0.0006","8.1924","0.0004","20.4587","0.0014","90","","98.448","0.006","90","","1282.22","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,6-bis(3-(trimethoxysilyl)propyl)pyrrolo(3,4-f)isoindole - 1,3,5,7(2H,6H)- tetraone","2,6-bis(3-(trimethoxysilyl)propyl)pyrrolo[3,4-f]isoindole -1,3,5,7(2H,6H)-tetraone","","- C22 H32 N2 O10 Si2 -","- C22 H32 N2 O10 Si2 -","- C44 H64 N4 O20 Si4 -","2","0.5","","Pfeifer, Stefan; Schwarzer, Anke; Schmidt, Dana; Brendler, Erica; Veith, Michael; Kroke, Edwin","Precursors for pyromellit-bridged silica sol‒gel hybrid materials","New Journal of Chemistry","2013","37","1","169","","10.1039/c2nj40538e","","","0.71073","MoKα","","0.0468","0.0403","","","0.1053","0.109","","","","","","1.085","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052976","14.2971","0.0004","7.7793","0.0003","25.6231","0.0007","90","","99.546","0.002","90","","2810.38","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-bis((triethoxysilyl)methyl)pyrrolo(3,4-f) isoindole-1,3,5,7(2H,6H)-tetraone","2,6-bis((triethoxysilyl)methyl)pyrrolo[3,4-f] isoindole-1,3,5,7(2H,6H)-tetraone","","- C24 H36 N2 O10 Si2 -","- C24 H36 N2 O10 Si2 -","- C96 H144 N8 O40 Si8 -","4","1","","Pfeifer, Stefan; Schwarzer, Anke; Schmidt, Dana; Brendler, Erica; Veith, Michael; Kroke, Edwin","Precursors for pyromellit-bridged silica sol‒gel hybrid materials","New Journal of Chemistry","2013","37","1","169","","10.1039/c2nj40538e","","","0.71073","MoKα","","0.0634","0.0577","","","0.1557","0.1604","","","","","","1.092","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052977","7.8416","0.0018","10.779","0.002","13.485","0.003","95.885","0.004","98.485","0.005","103.936","0.004","1082.8","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H26 O -","- C31 H26 O -","- C62 H52 O2 -","2","1","","Moorthy, Jarugu Narasimha; Mandal, Susovan; Kumar, Amrit","Photochromism of novel chromenes constrained to be part of [2.2]paracyclophane: remarkable ‘phane’ effects on the colored o-quinonoid intermediates","New Journal of Chemistry","2013","37","1","82","","10.1039/c2nj40575j","","","0.71073","MoKα","","0.0924","0.0764","","","0.2242","0.2441","","","","","","1.099","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052978","18.2537","0.001","18.39","0.001","20.7899","0.0012","74.209","0.001","89.492","0.001","87.577","0.001","6709.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C121 H151 La2 N21 O33 -","- C103 H97 La2 N21 O24 -","- C206 H194 La4 N42 O48 -","2","1","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","0.71073","MoKα","","0.0441","0.0395","","","0.1082","0.1116","","","","","","1.101","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052979","21.31","0.002","21.575","0.002","25.924","0.002","82.036","0.002","86.57","0.001","84.975","0.001","11744.8","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H159 Er N18 O23 -","- C103 H97 Er N18 O15 -","- C412 H388 Er4 N72 O60 -","4","2","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","0.71073","MoKα","","0.0739","0.0567","","","0.1521","0.1607","","","","","","1.093","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052980","17.6026","0.0014","17.8227","0.0015","20.5821","0.0017","81.527","0.001","81.654","0.001","88.492","0.001","6318.9","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H145 N21 O32 Yb2 -","- C105 H103 N21 O26 Yb2 -","- C210 H206 N42 O52 Yb4 -","2","1","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","0.71073","MoKα","","0.0541","0.047","","","0.1348","0.1408","","","","","","1.092","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052981","23.7722","0.0009","23.7722","0.0009","23.7722","0.0009","90","","90","","90","","13434.1","0.9","100","2","100","2","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","","","- C133 H169 N18 O22.5 Yb -","- C112 H112 N18 O15 Yb -","- C448 H448 N72 O60 Yb4 -","4","0.333333","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","0.71073","MoKα","","0.0734","0.058","","","0.1645","0.1801","","","","","","1.09","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052982","14.8807","0.0003","20.2373","0.0004","24.8721","0.0006","95.009","0.002","101.027","0.002","107.138","0.001","6942.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C139 H175 F9 N15 O18 S3 Yb -","- C121 H127 F9 N15 O15 S3 Yb -","- C242 H254 F18 N30 O30 S6 Yb2 -","2","1","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","0.71073","MoKα","","0.0662","0.0469","","","0.1025","0.1078","","","","","","0.914","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052983","24.8539","0.0006","13.987","0.0003","28.8206","0.0006","90","","104.791","0.001","90","","9687","0.4","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C95 H105 F9 N15 O13 S3 Yb -","- C90 H93 F9 N15 O12 S3 Yb -","- C360 H372 F36 N60 O48 S12 Yb4 -","4","1","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","1.54178","CuKα","","0.0296","0.0284","","","0.0679","0.0685","","","","","","1.055","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052984","13.6476","0.0009","16.3938","0.001","23.0054","0.0014","88.036","0.001","89.204","0.001","82.558","0.001","5100.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C111 H83 F9 N21 O13 S3 Yb -","- C111 H81 F9 N21 O12.5 S3 Yb -","- C222 H162 F18 N42 O25 S6 Yb2 -","2","1","","Guillet, Gary L.; Hyatt, I. F. Dempsey; Hillesheim, Patrick C.; Abboud, Khalil A.; Scott, Michael J.","1,2,4-Triazine-picolinamide functionalized, nonadentate chelates for the segregation of lanthanides(iii) and actinides(iii) in biphasic systems","New Journal of Chemistry","2013","37","1","119","","10.1039/c2nj40586e","","","0.71073","MoKα","","0.0407","0.0324","","","0.0833","0.0863","","","","","","1.044","","","","has coordinates,has disorder","180083","2020-10-21","18:00:00",""
"7052985","17.232","0.002","15.471","0.002","9.473","0.0011","90","","114.15","0.002","90","","2304.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H52 Cl4 Co2 N8 O2 -","- C46 H52 Cl4 Co2 N8 O2 -","- C92 H104 Cl8 Co4 N16 O4 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Single-crystal to single-crystal transformations in discrete solvated metallocycles: the role of the metal ion","New Journal of Chemistry","2013","37","1","71","","10.1039/c2nj40612h","","","0.71073","MoKα","","0.1168","0.0826","","","0.166","0.1811","","","","","","1.161","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052986","20.02","0.004","14.595","0.003","17.102","0.003","90","","118.62","0.03","90","","4386.5","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Cl4 Co2 N8 -","- C44 H44 Cl4 Co2 N8 -","- C176 H176 Cl16 Co8 N32 -","4","0.5","","Jacobs, Tia; Barbour, Leonard J.","Single-crystal to single-crystal transformations in discrete solvated metallocycles: the role of the metal ion","New Journal of Chemistry","2013","37","1","71","","10.1039/c2nj40612h","","","0.71073","MoKα","","0.1992","0.1308","","","0.232","0.2617","","","","","","1.156","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052987","17.36","0.02","15.483","0.02","9.44","0.012","90","","113.97","0.02","90","","2319","5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C46 H52 Cl4 N8 O2 Zn2 -","- C46 H52 Cl4 N8 O2 Zn2 -","- C92 H104 Cl8 N16 O4 Zn4 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Single-crystal to single-crystal transformations in discrete solvated metallocycles: the role of the metal ion","New Journal of Chemistry","2013","37","1","71","","10.1039/c2nj40612h","","","0.71073","MoKα","","0.1368","0.0859","","","0.1777","0.1991","","","","","","1.04","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052988","20.01","0.005","14.658","0.003","17.146","0.004","90","","118.325","0.003","90","","4426.9","1.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Cl4 N8 Zn2 -","- C44 H44 Cl4 N8 Zn2 -","- C176 H176 Cl16 N32 Zn8 -","4","0.5","","Jacobs, Tia; Barbour, Leonard J.","Single-crystal to single-crystal transformations in discrete solvated metallocycles: the role of the metal ion","New Journal of Chemistry","2013","37","1","71","","10.1039/c2nj40612h","","","0.71073","MoKα","","0.1793","0.0804","","","0.165","0.2088","","","","","","1.019","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052989","20.6275","0.0008","10.5366","0.0004","30.6641","0.0012","90","","99.59","0.001","90","","6571.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ceotfb","","","- C68 H116 Ce2 O3 S -","- C68 H116 Ce2 O3 S -","- C272 H464 Ce8 O12 S4 -","4","1","","Werkema, Evan L.; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile; Andersen, Richard A.","Cleaving bonds in CH3OSO2CF3 with [1,2,4-(Me3C)3C5H2]2CeH; an experimental and computational study","New Journal of Chemistry","2013","37","1","132","","10.1039/c2nj40624a","","","0.71073","MoKα","","0.0558","0.0379","","","0.0792","0.088","","","","","","1.053","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052990","10.5673","0.0012","21.532","0.002","16.3041","0.0018","90","","98.267","0.002","90","","3671.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","ceotf","","","- C35 H58 Ce F3 O3 S -","- C35 H58 Ce F3 O3 S -","- C140 H232 Ce4 F12 O12 S4 -","4","1","","Werkema, Evan L.; Castro, Ludovic; Maron, Laurent; Eisenstein, Odile; Andersen, Richard A.","Cleaving bonds in CH3OSO2CF3 with [1,2,4-(Me3C)3C5H2]2CeH; an experimental and computational study","New Journal of Chemistry","2013","37","1","132","","10.1039/c2nj40624a","","","0.71073","MoKα","","0.0258","0.0224","","","0.0499","0.0522","","","","","","1.067","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052991","17.083","0.002","11.2862","0.0009","11.2092","0.0015","90","","106.755","0.007","90","","2069.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N8 O7 Zn2 -","- C16 H18 N8 O7 Zn2 -","- C64 H72 N32 O28 Zn8 -","4","0.5","","Lou, Benyong; He, Fengdan","Coordination polymers as potential solid forms of drugs: three zinc(ii) coordination polymers of theophylline with biocompatible organic acids","New Journal of Chemistry","2013","37","2","309","","10.1039/c2nj40625j","","","0.71073","MoKα","","0.052","0.0316","","","0.0763","0.118","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052992","16.023","0.002","13.4229","0.0016","11.4932","0.0019","90","","103.331","0.009","90","","2405.3","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N8 O7 Zn2 -","- C21 H20 N8 O7 Zn2 -","- C84 H80 N32 O28 Zn8 -","4","0.5","","Lou, Benyong; He, Fengdan","Coordination polymers as potential solid forms of drugs: three zinc(ii) coordination polymers of theophylline with biocompatible organic acids","New Journal of Chemistry","2013","37","2","309","","10.1039/c2nj40625j","","","0.71073","MoKα","","0.0481","0.0386","","","0.0754","0.0805","","","","","","1.096","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052993","11.8565","0.0011","11.048","0.0008","20.2252","0.0016","90","","90","","90","","2649.3","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N5 O4 Zn -","- C13 H11 N5 O4 Zn -","- C104 H88 N40 O32 Zn8 -","8","1","","Lou, Benyong; He, Fengdan","Coordination polymers as potential solid forms of drugs: three zinc(ii) coordination polymers of theophylline with biocompatible organic acids","New Journal of Chemistry","2013","37","2","309","","10.1039/c2nj40625j","","","0.71073","MoKα","","0.0319","0.0283","","","0.0646","0.0666","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7052994","13.5277","0.0004","15.3111","0.0007","17.7296","0.0005","86.083","0.003","67.796","0.002","77.863","0.003","3323.7","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C138.5 H131 Cl N14 O23 Zn2 -","- C138.5 H127 Cl N14 O23 Zn2 -","- C138.5 H127 Cl N14 O23 Zn2 -","1","0.5","","Lang, Thomas; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais","Zinc‒ and palladium‒porphyrin based turnstiles","New Journal of Chemistry","2013","37","1","112","","10.1039/c2nj40657h","","","0.71073","MoKα","","0.0969","0.0782","","","0.2357","0.2528","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7052995","14.8196","0.0012","17.1292","0.0015","17.1532","0.0017","63.953","0.003","84.648","0.003","64.883","0.003","3518.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C148 H156 N14 O23 Pd2 -","- C148 H146 N14 O23 Pd2 -","- C148 H146 N14 O23 Pd2 -","1","0.5","","Lang, Thomas; Graf, Ernest; Kyritsakas, Nathalie; Hosseini, Mir Wais","Zinc‒ and palladium‒porphyrin based turnstiles","New Journal of Chemistry","2013","37","1","112","","10.1039/c2nj40657h","","","0.71073","MoKα","","0.151","0.1132","","","0.2997","0.3255","","","","","","1.416","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052996","13.1083","0.0003","9.45522","0.00019","15.1358","0.0004","90","","99.016","0.002","90","","1852.78","0.08","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Benzene-1,2-diolato)(methanolato)(2-(morpholinomethyl)phenyl)boron methanol solvate","","- C19 H26 B N O5 -","- C19 H26 B N O5 -","- C76 H104 B4 N4 O20 -","4","1","","Adamczyk-Woźniak, Agnieszka; Borys, Krzysztof M.; Madura, Izabela D.; Pawełko, Alicja; Tomecka, Ewelina; Żukowski, Kamil","Lewis acidity and sugar receptor activity of 3-amino-substituted benzoxaboroles and their ortho-aminomethylphenylboronic acid analogues","New Journal of Chemistry","2013","37","1","188","","10.1039/c2nj40687j","","","1.5418","CuKα","","0.0388","0.0335","","","0.0862","0.0894","","","","","","1.049","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052997","35.577","0.005","6.4458","0.0009","12.9791","0.0007","90","","109.18","0.01","90","","2811.2","0.6","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H8 Cl2 F10 N4 S -","- C24 H6 F10 N4 S -","- C96 H24 F40 N16 S4 -","4","0.5","","Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre","Synthesis, electronic properties and packing modes of conjugated systems based on 2,5-di(cyanovinyl)furan or thiophene and imino-perfluorophenyl moieties","New Journal of Chemistry","2013","37","2","409","","10.1039/c2nj40745k","","x-ray","0.71073","MoKα","","0.0802","0.0531","","","0.1116","0.1218","","","","","","1.061","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052998","36.916","0.009","6.298","0.0007","9.662","0.002","90","","101.03","0.02","90","","2204.9","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 F10 N4 O -","- C24 H6 F10 N4 O -","- C96 H24 F40 N16 O4 -","4","0.5","","Moussallem, Chady; Allain, Magali; Gohier, Frédéric; Frère, Pierre","Synthesis, electronic properties and packing modes of conjugated systems based on 2,5-di(cyanovinyl)furan or thiophene and imino-perfluorophenyl moieties","New Journal of Chemistry","2013","37","2","409","","10.1039/c2nj40745k","","x-ray","0.71073","MoKα","","","0.0581","","","","0.1339","","","","","","1.122","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7052999","22.017","0.0017","16.2879","0.0016","13.7909","0.0011","90","","90","","90","","4945.6","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H22 Mg O13 Zn -","- C18 H16 Mg O10 Zn -","- C144 H128 Mg8 O80 Zn8 -","8","1","","Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi","Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands","New Journal of Chemistry","2013","37","2","380","","10.1039/c2nj40752c","","","0.71073","MoKα","","0.106","0.0668","","","0.1529","0.1735","","","","","","1.043","","","","has coordinates","180083","2020-10-21","18:00:00",""
"7053000","12.0711","0.0004","12.2504","0.0004","13.3746","0.0005","90","","101.194","0.003","90","","1940.15","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O9 Zn2 -","- C18 H14 O9 Zn2 -","- C72 H56 O36 Zn8 -","4","1","","Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi","Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands","New Journal of Chemistry","2013","37","2","380","","10.1039/c2nj40752c","","","0.71073","MoKα","","0.0396","0.0301","","","0.071","0.0766","","","","","","1.034","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053001","8.0667","0.0003","12.2547","0.0008","12.591","0.0006","95.846","0.005","93.184","0.004","95.283","0.004","1230.3","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O10 Zn3 -","- C24 H26 O10 Zn3 -","- C48 H52 O20 Zn6 -","2","1","","Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi","Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands","New Journal of Chemistry","2013","37","2","380","","10.1039/c2nj40752c","","","0.71073","MoKα","","0.0492","0.0433","","","0.111","0.1151","","","","","","1.097","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053002","18.14","0.001","31.2496","0.0019","6.8627","0.0004","90","","106.35","0.006","90","","3732.9","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C30 H36 Ba O14 Zn2 -","- C30 H34 Ba O13 Zn2 -","- C120 H136 Ba4 O52 Zn8 -","4","1","","Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi","Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands","New Journal of Chemistry","2013","37","2","380","","10.1039/c2nj40752c","","","0.71073","MoKα","","0.0377","0.0342","","","0.076","0.0787","","","","","","1.043","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053003","34.465","0.013","34.465","0.013","7.825","0.003","90","","90","","120","","8050","5","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C21 H17 N3 O3 -","- C21 H17 N3 O3 -","- C378 H306 N54 O54 -","18","1","","Xu, Huajie; Liu, Zhaodi; Sheng, Liangquan; Chen, Mingming; Huang, Deqian; Zhang, Hong; Song, Chongfu; Chen, Shuisheng","A novel “turn-on” fluorescent probe for Fe3+ in aqueous media based on CN isomerization","New Journal of Chemistry","2013","37","2","274","","10.1039/c2nj40767a","","","0.71073","MoKα","","0.0571","0.0415","","","0.1007","0.11","","","","","","1.029","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053004","9.1543","0.0003","9.4031","0.0003","20.9383","0.0007","77.882","0.002","79.291","0.002","83.454","0.002","1726.21","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[(2,2'bipyridine)di(flumequinato-κ^2^O,O)zinc(II)] dihydrate","[(2,2'bipyridine)di(9-fluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxylato-κ^2^O,O)zinc(II)] dihydrate","","- C38 H34 F2 N4 O8 Zn -","- C38 H34 F2 N4 O8 Zn -","- C76 H68 F4 N8 O16 Zn2 -","2","1","","Tarushi, Alketa; Kljun, Jakob; Turel, Iztok; Pantazaki, Anastasia A.; Psomas, George; Kessissoglou, Dimitris P.","Zinc(II) complexes with the quinolone antibacterial drug flumequine: structure, DNA- and albumin-binding","New Journal of Chemistry","2013","37","2","342","","10.1039/c2nj40798a","","","0.71073","MoKα","","0.1","0.0526","","","0.091","0.1063","","","","","","1.028","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053005","7.8443","0.0001","9.2261","0.0001","15.1286","0.0002","100.316","0.0008","100.686","0.0008","96.171","0.0008","1047.24","0.02","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[(2,2'-bipyridine)chlorido(flumequinato-κ^2^O,O)zinc(II)]","[(2,2'-bipyridine)chlorido(9-fluoro-5-methyl-1-oxo-1,5,6,7-tetrahydropyr ido[3,2,1-ij]quinoline-2-carboxylato-κ^2^O,O)zinc(II)]","","- C24 H19 Cl F N3 O3 Zn -","- C24 H19 Cl F N3 O3 Zn -","- C48 H38 Cl2 F2 N6 O6 Zn2 -","2","1","","Tarushi, Alketa; Kljun, Jakob; Turel, Iztok; Pantazaki, Anastasia A.; Psomas, George; Kessissoglou, Dimitris P.","Zinc(ii) complexes with the quinolone antibacterial drug flumequine: structure, DNA- and albumin-binding","New Journal of Chemistry","2013","37","2","342","","10.1039/c2nj40798a","","","0.71073","MoKα","","0.0255","0.0244","","","0.0615","0.0621","","","","","","1.068","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053006","12.448","0.001","13.931","0.001","22.376","0.002","86.52","0.01","80.65","0.01","69.71","0.01","3591.1","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C93.64 H13.16 F54 -","- C93.64 H7 F54 -","- C187.28 H14 F108 -","2","1","","Ignat'eva, D. V.; Goryunkov, A. A.; Tamm, N. B.; Ioffe, I. N.; Sidorov, L. N.; Troyanov, S. I.","Isolation and structural characterization of the most highly trifluoromethylated C70 fullerenes: C70(CF3)18 and C70(CF3)20","New Journal of Chemistry","2013","37","2","299","","10.1039/c2nj40959c","","","0.905","","","0.1027","0.0882","","","0.2186","0.225","","","","","","1.059","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053007","14.524","0.001","21.689","0.001","23.545","0.002","90","","99.168","0.003","90","","7322.2","0.9","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C93 H7 F60 -","- C93 H7 F60 -","- C372 H28 F240 -","4","1","","Ignat'eva, D. V.; Goryunkov, A. A.; Tamm, N. B.; Ioffe, I. N.; Sidorov, L. N.; Troyanov, S. I.","Isolation and structural characterization of the most highly trifluoromethylated C70 fullerenes: C70(CF3)18 and C70(CF3)20","New Journal of Chemistry","2013","37","2","299","","10.1039/c2nj40959c","","","0.905","synchrotron","","0.132","0.0863","","","0.1956","0.213","","","","","","1.16","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053008","14.7468","0.0005","15.55","0.0005","18.135","0.0005","78.495","0.002","82.54","0.002","71.023","0.002","3844.1","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C100.5 H12 F60 -","- C100.5 H8 F60 -","- C201 H16 F120 -","2","1","","Ignat'eva, D. V.; Goryunkov, A. A.; Tamm, N. B.; Ioffe, I. N.; Sidorov, L. N.; Troyanov, S. I.","Isolation and structural characterization of the most highly trifluoromethylated C70 fullerenes: C70(CF3)18 and C70(CF3)20","New Journal of Chemistry","2013","37","2","299","","10.1039/c2nj40959c","","","0.905","synchrotron","","0.0978","0.0869","","","0.2031","0.2132","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053009","11.7261","0.0007","6.3804","0.0004","19.3742","0.0012","90","","90.906","0.002","90","","1449.34","0.15","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 O2 S -","- C20 H10 O2 S -","- C80 H40 O8 S4 -","4","1","","Seidel, Nadine; Hahn, Torsten; Liebing, Simon; Seichter, Wilhelm; Kortus, Jens; Weber, Edwin","Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics","New Journal of Chemistry","2013","37","3","601","","10.1039/c2nj40772h","","","0.71073","MoKα","","0.0621","0.0433","","","0.1171","0.1398","","","","","","1.064","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053010","18.3586","0.0005","8.6988","0.0002","8.3214","0.0002","90","","98.203","0.002","90","","1315.31","0.06","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C64 H52 Br4 O8 -","4","1","","Seidel, Nadine; Hahn, Torsten; Liebing, Simon; Seichter, Wilhelm; Kortus, Jens; Weber, Edwin","Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics","New Journal of Chemistry","2013","37","3","601","","10.1039/c2nj40772h","","","0.71073","MoKα","","0.0459","0.0324","","","0.0815","0.0902","","","","","","1.026","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053011","10.8327","0.0011","20.919","0.003","13.3107","0.0014","90","","104.117","0.009","90","","2925.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","bis(1,3-diphenylpropane-1,3-dionato)(3- methylpyridine)oxovanadium(IV)","bis(1,3-diphenylpropane-1,3-dionato)(3-methylpyridine)oxovanadium(IV)","","- C36 H29 N O5 V -","- C36 H29 N O5 V -","- C144 H116 N4 O20 V4 -","4","1","","Stilinović, Vladimir; Bučar, Dejan-Krešimir; Halasz, Ivan; Meštrović, Ernest","VO⋯C interactions in crystal structures of oxovanadium-coordination compounds","New Journal of Chemistry","2013","37","3","619","","10.1039/c2nj40780a","","","0.71073","MoKα","","0.0743","0.0567","","","0.0942","0.1013","","","","","","1.12","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053012","10.333","0.002","14.007","0.002","14.251","0.003","77.356","0.015","70.407","0.018","77.535","0.016","1873.2","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","bis(1,3-diphenylpropane-1,3-dionato)(4,4'- bipyridine)oxovanadium(IV) dimethylsulphoxyde solvate","bis(1,3-diphenylpropane-1,3-dionato)(4,4'-bipyridine)oxovanadium(IV) dimethylsulphoxyde solvate","","- C42 H36 N2 O6 S V -","- C42 H36 N2 O6 S V -","- C84 H72 N4 O12 S2 V2 -","2","1","","Stilinović, Vladimir; Bučar, Dejan-Krešimir; Halasz, Ivan; Meštrović, Ernest","VO⋯C interactions in crystal structures of oxovanadium-coordination compounds","New Journal of Chemistry","2013","37","3","619","","10.1039/c2nj40780a","","","0.71073","MoKα","","0.1268","0.0973","","","0.2747","0.3113","","","","","","1.122","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053013","11.7951","0.0006","9.4577","0.0005","12.8525","0.0007","90","","91.093","0.005","90","","1433.49","0.13","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-(Diethylamino)phenyl)(pyridine-2-yl)methanol","(4-(Diethylamino)phenyl)(pyridine-2-yl)methanol","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj","Friedel‒Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols","New Journal of Chemistry","2013","37","3","563","","10.1039/c2nj40871f","","","0.7107","MoKα","","0.0774","0.0584","","","0.1545","0.1701","","","","","","1.044","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053014","8.489","0.0003","17.2434","0.0006","8.1339","0.0003","90","","110.61","0.004","90","","1114.43","0.07","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-Methoxyphenyl)(pyridine-2-yl)methanol","(4-Methoxyphenyl)(pyridine-2-yl)methanol","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj","Friedel‒Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols","New Journal of Chemistry","2013","37","3","563","","10.1039/c2nj40871f","","","0.7107","MoKα","","0.043","0.0353","","","0.0793","0.0838","","","","","","1.042","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053015","10.6147","0.0005","11.5927","0.0005","9.2553","0.0004","90","","90","","90","","1138.89","0.09","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(1H-indol-3-yl)(pyridin-2-yl)methanol","(1H-indol-3-yl)(pyridin-2-yl)methanol","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj","Friedel‒Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols","New Journal of Chemistry","2013","37","3","563","","10.1039/c2nj40871f","","","0.7107","MoKα","","0.0455","0.0388","","","0.0944","0.1022","","","","","","1.06","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053016","5.9087","0.0002","12.77","0.0005","21.8373","0.0007","90","","90","","90","","1647.71","0.1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","4,4'-(phenylmethylene)bis(methoxybenzene)","4,4'-(phenylmethylene)bis(methoxybenzene)","","- C21 H20 O2 -","- C21 H20 O2 -","- C84 H80 O8 -","4","1","","Harikrishnan, Adhikesavan; Selvakumar, Jayaraman; Gnanamani, Elumalai; Bhattacharya, Suman; Ramanathan, Chinnasamy Ramaraj","Friedel‒Crafts hydroxyalkylation through activation of a carbonyl group using AlBr3: an easy access to pyridyl aryl/heteroaryl carbinols","New Journal of Chemistry","2013","37","3","563","","10.1039/c2nj40871f","","","0.7107","MoKα","","0.0407","0.0341","","","0.0757","0.0807","","","","","","1.066","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053017","32.989","0.007","32.989","0.007","7.098","0.002","90","","90","","120","","6690","3","100","2","100","2","","","","","","","Claudia Caltagirone","4","R -3 :H","-R 3","148","","","","- C21 H26 N4 O4 -","- C18 H14 N4 O -","- C324 H252 N72 O18 -","18","1","","Olivari, Martina; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Scorciapino, Mariano Andrea","Non-symmetric substituted ureas locked in an (E,Z) conformation: an unusual anion binding via supramolecular assembly","New Journal of Chemistry","2013","37","3","663","","10.1039/c2nj40877e","","","0.71075","MoKα","","0.099","0.0712","","","0.1314","0.1421","","","","","","1.164","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053018","22.003","0.004","7.1308","0.0014","18.677","0.004","90","","90","","90","","2930.4","1","100","2","100","2","","","","","","","Claudia Caltagirone","4","P n a 21","P 2c -2n","33","","","","- C18 H14 N4 O -","- C18 H14 N4 O -","- C144 H112 N32 O8 -","8","2","","Olivari, Martina; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Scorciapino, Mariano Andrea","Non-symmetric substituted ureas locked in an (E,Z) conformation: an unusual anion binding via supramolecular assembly","New Journal of Chemistry","2013","37","3","663","","10.1039/c2nj40877e","","","0.71075","MoKα","","0.0859","0.0624","","","0.1016","0.1085","","","","","","1.044","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053019","8.041","0.0017","19.459","0.004","18.998","0.004","90","","94.696","0.003","90","","2962.6","1.1","100","2","100","2","","","","","","","Claudia Caltagirone","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N4 O -","- C19 H14 N4 O -","- C152 H112 N32 O8 -","8","2","","Olivari, Martina; Caltagirone, Claudia; Garau, Alessandra; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Scorciapino, Mariano Andrea","Non-symmetric substituted ureas locked in an (E,Z) conformation: an unusual anion binding via supramolecular assembly","New Journal of Chemistry","2013","37","3","663","","10.1039/c2nj40877e","","","0.71075","MoKα","","0.1121","0.0793","","","0.1604","0.1788","","","","","","1.119","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053020","17.665","0.004","6.3279","0.0014","26.063","0.006","90","","100.725","0.003","90","","2862.5","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H8 Cu N8 -","- C2 H8 Cu N8 -","- C32 H128 Cu16 N128 -","16","2","","Wu, Bi-Dong; Zhou, Zun-Ning; Li, Fu-Gang; Yang, Li; Zhang, Tong-Lai; Zhang, Jian-Guo","Preparation, crystal structures, thermal decompositions and explosive properties of two new high-nitrogen azide ethylenediamine energetic compounds","New Journal of Chemistry","2013","37","3","646","","10.1039/c2nj40887b","","","0.71073","MoKα","","0.0448","0.0326","","","0.08","0.0872","","","","","","0.998","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7053021","13.671","0.004","9.447","0.002","9.343","0.003","90","","100.349","0.003","90","","1187","0.6","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H16 Co N11 O3 -","- C4 H16 Co N11 O3 -","- C16 H64 Co4 N44 O12 -","4","0.5","","Wu, Bi-Dong; Zhou, Zun-Ning; Li, Fu-Gang; Yang, Li; Zhang, Tong-Lai; Zhang, Jian-Guo","Preparation, crystal structures, thermal decompositions and explosive properties of two new high-nitrogen azide ethylenediamine energetic compounds","New Journal of Chemistry","2013","37","3","646","","10.1039/c2nj40887b","","","0.71073","MoKα","","0.0325","0.0281","","","0.0748","0.0778","","","","","","1.001","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7053022","15.9841","0.0003","20.584","0.0005","24.9501","0.0005","111.656","0.002","106.005","0.0016","94.5871","0.0016","7180.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H104 N4 O8 Zn -","- C82 H104 N4 O8 Zn -","- C328 H416 N16 O32 Zn4 -","4","2","","Raymont, Victoria; Wilson, Hannah; Pfrunder, Michael; McMurtrie, John C.; Mullen, Kathleen M.","New approaches to the synthesis of strapped porphyrin containing bipyridinium [2]rotaxanes","New Journal of Chemistry","2013","37","4","893","","10.1039/c2nj40762k","","","0.71073","MoKα","","0.1189","0.0657","","","0.1715","0.1917","","","","","","1.002","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053023","16.039","0.005","20.336","0.006","16.729","0.005","90","","91.988","0.005","90","","5453","3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C102 H92 Cr3 Mn3 N18 O16 -","- C102 H92 Cr3 Mn3 N18 O16 -","- C204 H184 Cr6 Mn6 N36 O32 -","2","0.5","","Zhang, Qian; Zhou, Hongbo; Shen, Xiaoping; Zhou, Hu; Yang, Yuqi","Syntheses, crystal structures and magnetic properties of four cyano-bridged bimetallic alternating chain complexes based on [CrIII(salen)(CN)2]− and [CrIII(bipy)(CN)4]− building blocks","New Journal of Chemistry","2013","37","4","941","","10.1039/c2nj41059a","","","0.71073","MoKα","","0.0827","0.0542","","","0.0995","0.1046","","","","","","1.092","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053024","15.946","0.003","20.452","0.002","16.9","0.003","90","","92.377","0.003","90","","5506.8","1.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C105 H98 Cr3 Mn3 N18 O16 -","- C105 H98 Cr3 Mn3 N18 O16 -","- C210 H196 Cr6 Mn6 N36 O32 -","2","0.5","","Zhang, Qian; Zhou, Hongbo; Shen, Xiaoping; Zhou, Hu; Yang, Yuqi","Syntheses, crystal structures and magnetic properties of four cyano-bridged bimetallic alternating chain complexes based on [CrIII(salen)(CN)2]− and [CrIII(bipy)(CN)4]− building blocks","New Journal of Chemistry","2013","37","4","941","","10.1039/c2nj41059a","","","0.71073","MoKα","","0.0813","0.0604","","","0.1331","0.1399","","","","","","1.055","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053025","9.5129","0.0019","21.587","0.004","13.479","0.003","90","","91.71","0.03","90","","2766.7","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cr Mn N8 O2 -","- C30 H22 Cr Mn N8 O2 -","- C120 H88 Cr4 Mn4 N32 O8 -","4","1","","Zhang, Qian; Zhou, Hongbo; Shen, Xiaoping; Zhou, Hu; Yang, Yuqi","Syntheses, crystal structures and magnetic properties of four cyano-bridged bimetallic alternating chain complexes based on [CrIII(salen)(CN)2]− and [CrIII(bipy)(CN)4]− building blocks","New Journal of Chemistry","2013","37","4","941","","10.1039/c2nj41059a","","","0.71073","MoKα","","0.0294","0.0267","","","0.0823","0.0839","","","","","","1.092","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053026","9.2635","0.0019","21.4","0.004","14.823","0.003","90","","97.68","0.03","90","","2912.1","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 Cr Mn N8 O2 -","- C31 H24 Cr Mn N8 O2 -","- C124 H96 Cr4 Mn4 N32 O8 -","4","1","","Zhang, Qian; Zhou, Hongbo; Shen, Xiaoping; Zhou, Hu; Yang, Yuqi","Syntheses, crystal structures and magnetic properties of four cyano-bridged bimetallic alternating chain complexes based on [CrIII(salen)(CN)2]− and [CrIII(bipy)(CN)4]− building blocks","New Journal of Chemistry","2013","37","4","941","","10.1039/c2nj41059a","","","0.71073","MoKα","","0.0701","0.055","","","0.1358","0.1464","","","","","","1.014","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053027","17.912","0.004","7.1061","0.0015","20.966","0.004","90","","107.44","0.002","90","","2546","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 N2 O10 Zn -","- C28 H22 N2 O10 Zn -","- C112 H88 N8 O40 Zn4 -","4","0.5","","Hong, Xu-Jia; Wang, Ming-Fang; Jia, Hong-Yang; Li, Wei-Xing; Li, Jing; Liu, Yi-Ting; Jin, Hong-Guang; Cai, Yue-Peng","Assemblies of several supramolecular networks containing quinoline-2,3-dicarboxylic acid","New Journal of Chemistry","2013","37","4","933","","10.1039/c3nj40783g","","","0.71073","MoKα","","0.0831","0.0621","","","0.1918","0.2094","","","","","","1.127","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053028","7.4062","0.0017","9.136","0.002","9.415","0.003","110.466","0.004","98.32","0.004","111.664","0.003","526.5","0.2","298","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 N2 O10 Zn -","- C22 H16 N2 O10 Zn -","- C22 H16 N2 O10 Zn -","1","0.5","","Hong, Xu-Jia; Wang, Ming-Fang; Jia, Hong-Yang; Li, Wei-Xing; Li, Jing; Liu, Yi-Ting; Jin, Hong-Guang; Cai, Yue-Peng","Assemblies of several supramolecular networks containing quinoline-2,3-dicarboxylic acid","New Journal of Chemistry","2013","37","4","933","","10.1039/c3nj40783g","","","0.71073","MoKα","","0.065","0.0544","","","0.1362","0.1442","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053029","12.693","0.004","5.7903","0.0019","13.581","0.005","90","","115.966","0.004","90","","897.4","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 N2 O8 Zn -","- C22 H12 N2 O8 Zn -","- C44 H24 N4 O16 Zn2 -","2","0.5","","Hong, Xu-Jia; Wang, Ming-Fang; Jia, Hong-Yang; Li, Wei-Xing; Li, Jing; Liu, Yi-Ting; Jin, Hong-Guang; Cai, Yue-Peng","Assemblies of several supramolecular networks containing quinoline-2,3-dicarboxylic acid","New Journal of Chemistry","2013","37","4","933","","10.1039/c3nj40783g","","","0.71073","MoKα","","0.0892","0.0512","","","0.1146","0.1322","","","","","","1.09","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053030","8.4656","0.0016","8.9809","0.0018","9.2251","0.0018","76.535","0.002","85.007","0.002","74.037","0.002","655.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 N2 O10 S2 Zn -","- C26 H24 N2 O10 S2 Zn -","- C26 H24 N2 O10 S2 Zn -","1","0.5","","Hong, Xu-Jia; Wang, Ming-Fang; Jia, Hong-Yang; Li, Wei-Xing; Li, Jing; Liu, Yi-Ting; Jin, Hong-Guang; Cai, Yue-Peng","Assemblies of several supramolecular networks containing quinoline-2,3-dicarboxylic acid","New Journal of Chemistry","2013","37","4","933","","10.1039/c3nj40783g","","","0.71073","MoKα","","0.0684","0.0557","","","0.1385","0.1481","","","","","","1.015","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053031","7.2673","0.0008","33.408","0.003","7.3747","0.0008","90","","98.931","0.005","90","","1768.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H13 F N4 O3 -","- C21 H13 F N4 O3 -","- C84 H52 F4 N16 O12 -","4","1","","Liu, Xiang; Li, Jihui; Chen, Baohua","One-pot synthesis of 2,4,5-trisubstituted 1,2,3-triazoles through the cascade reactions of acid chlorides, terminal acetylenes, sodium azide and aryl halides","New Journal of Chemistry","2013","37","4","965","","10.1039/c3nj40912k","","","0.71073","MoKα","","0.068","0.0591","","","0.175","0.1818","","","","","","1.403","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053032","21.9206","0.0011","10.1128","0.0005","23.1925","0.0012","90","","96.119","0.002","90","","5112","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H62 Br4 N2 O4 Zr -","- C51 H62 Br4 N2 O4 Zr -","- C204 H248 Br16 N8 O16 Zr4 -","4","1","","Saha, Tanmoy Kumar; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Imino phenoxide complexes of group 4 metals: synthesis, structural characterization and polymerization studies","New Journal of Chemistry","2013","37","4","949","","10.1039/c3nj40916c","","","0.71073","MoKα","","0.0864","0.0453","","","0.1042","0.1211","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053033","24.4152","0.0013","13.135","0.0006","18.3821","0.001","90","","116.306","0.003","90","","5284.5","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 Br4 N4 O4 Ti -","- C48 H60 Br4 N4 O4 Ti -","- C192 H240 Br16 N16 O16 Ti4 -","4","0.5","","Saha, Tanmoy Kumar; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Imino phenoxide complexes of group 4 metals: synthesis, structural characterization and polymerization studies","New Journal of Chemistry","2013","37","4","949","","10.1039/c3nj40916c","","","0.71073","MoKα","","0.0804","0.0458","","","0.1233","0.1408","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053034","16.4326","0.0009","21.783","0.0011","25.0841","0.0013","88.239","0.002","85.703","0.002","79.019","0.002","8788.5","0.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H68 Hf N2 O4 -","- C41 H68 Hf N2 O4 -","- C328 H544 Hf8 N16 O32 -","8","4","","Saha, Tanmoy Kumar; Mandal, Mrinmay; Chakraborty, Debashis; Ramkumar, Venkatachalam","Imino phenoxide complexes of group 4 metals: synthesis, structural characterization and polymerization studies","New Journal of Chemistry","2013","37","4","949","","10.1039/c3nj40916c","","","0.71073","MoKα","","0.0818","0.0556","","","0.1507","0.1779","","","","","","1.219","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053035","10.1011","0.0017","11.4452","0.0018","15.124","0.002","69.997","0.007","81.79","0.007","73.284","0.007","1571.6","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H8 O S8 -","- C11 H8 O S8 -","- C44 H32 O4 S32 -","4","2","","Camerel, Franck; Jeannin, Olivier; Yzambart, Gilles; Fabre, Bruno; Lorcy, Dominique; Fourmigué, Marc","Redox-active proligands from the direct connection of 1,3-dithiol-2-one to tetrathiafulvalene (TTF): syntheses, characterizations and metal complexation","New Journal of Chemistry","2013","37","4","992","","10.1039/c3nj41097h","","","0.71073","MoKα","","0.0457","0.0336","","","0.0875","0.1052","","","","","","1.089","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053036","15.341","0.003","29.058","0.006","5.1928","0.001","90","","90","","90","","2314.8","0.8","150","2","150","2","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C16 H14 S12 -","- C16 H14 S12 -","- C64 H56 S48 -","4","1","","Camerel, Franck; Jeannin, Olivier; Yzambart, Gilles; Fabre, Bruno; Lorcy, Dominique; Fourmigué, Marc","Redox-active proligands from the direct connection of 1,3-dithiol-2-one to tetrathiafulvalene (TTF): syntheses, characterizations and metal complexation","New Journal of Chemistry","2013","37","4","992","","10.1039/c3nj41097h","","","0.71073","MoKα","","0.0891","0.0646","","","0.1468","0.1655","","","","","","1.058","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053037","14.1392","0.0002","6.9205","0.0001","30.6289","0.0005","90","","94.125","0.001","90","","2989.28","0.08","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 O S6 -","- C12 H10 O S6 -","- C96 H80 O8 S48 -","8","1","","Camerel, Franck; Jeannin, Olivier; Yzambart, Gilles; Fabre, Bruno; Lorcy, Dominique; Fourmigué, Marc","Redox-active proligands from the direct connection of 1,3-dithiol-2-one to tetrathiafulvalene (TTF): syntheses, characterizations and metal complexation","New Journal of Chemistry","2013","37","4","992","","10.1039/c3nj41097h","","","0.71073","MoKα","","0.0483","0.0369","","","0.0843","0.0893","","","","","","1.156","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053038","7.569","0.005","14.725","0.005","18.158","0.005","95.476","0.005","90.546","0.005","91.274","0.005","2013.9","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 O2 S13 -","- C30 H34 O2 S13 -","- C60 H68 O4 S26 -","2","1","","Camerel, Franck; Jeannin, Olivier; Yzambart, Gilles; Fabre, Bruno; Lorcy, Dominique; Fourmigué, Marc","Redox-active proligands from the direct connection of 1,3-dithiol-2-one to tetrathiafulvalene (TTF): syntheses, characterizations and metal complexation","New Journal of Chemistry","2013","37","4","992","","10.1039/c3nj41097h","","","0.71073","MoKα","","0.1813","0.0668","","","0.1683","0.2442","","","","","","0.966","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053039","49.363","0.0007","16.337","0.0003","22.309","0.0004","90","","115.934","0.001","90","","16179.2","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H46 Co2 F24 I2 N8 O14.5 -","- C62 H46 Co2 F24 I2 N8 O14.5 -","- C496 H368 Co16 F192 I16 N64 O116 -","8","1","","Vaz, Maria G. F.; Akpinar, Handan; Guedes, Guilherme P.; Santos, Sauli; Novak, Miguel A.; Lahti, Paul M.","Two co-crystalline M(hfac)2(IPhIN)2·M(hfac)2 (M = Mn, Co) compounds with a bis(iminoylnitroxide) biradical: structure and magnetism","New Journal of Chemistry","2013","37","7","1927","","10.1039/c3nj00047h","","x-ray","0.71073","MoKα","","0.0842","0.0575","","","0.1514","0.1688","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053040","49.475","0.0008","16.483","0.0003","22.224","0.0004","90","0.001","115.247","0.001","90","0.001","16392.4","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C124 H114 F48 I4 Mn4 N16 O29 -","- C124 H114 F48 I4 Mn4 N16 O29 -","- C496 H456 F192 I16 Mn16 N64 O116 -","4","0.5","","Vaz, Maria G. F.; Akpinar, Handan; Guedes, Guilherme P.; Santos, Sauli; Novak, Miguel A.; Lahti, Paul M.","Two co-crystalline M(hfac)2(IPhIN)2·M(hfac)2 (M = Mn, Co) compounds with a bis(iminoylnitroxide) biradical: structure and magnetism","New Journal of Chemistry","2013","37","7","1927","","10.1039/c3nj00047h","","x-ray","0.71073","MoKα","","0.0878","0.0564","","","0.1382","0.1545","","","","","","1.026","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053041","12.9597","0.0011","9.6741","0.0008","13.3527","0.0011","90","","100.796","0.002","90","","1644.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 Cl N O3 -","- C19 H14 Cl N O3 -","- C76 H56 Cl4 N4 O12 -","4","1","","Wang, Zheng; Shi, Ying; Luo, Xiaoyan; Han, De-Man; Deng, Wei-Ping","Direct synthesis of pyrroles via 1,3-dipolar cycloaddition of azomethine ylides with ynones","New Journal of Chemistry","2013","37","6","1742","","10.1039/c3nj00067b","","","0.71073","MoKα","","0.0495","0.0401","","","0.1026","0.1103","","","","","","1.027","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053042","5.565","0.0005","13.292","0.0016","10.0843","0.0012","90","","96.248","0.009","90","","741.5","0.14","","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-Thiophen-2-yl-1,2,4-triazine","","- C7 H5 N3 S -","- C7 H5 N3 S -","- C28 H20 N12 S4 -","4","1","","Branowska, Danuta; Chaciak, Bartosz; Siuchta, Olga; Olender, Ewa; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw; Poronik, Eugenij; Wysocki, Waldemar; Karczmarzyk, Zbigniew; Skora, Lukasz; Filapek, Michał; Krompiec, Stanislaw; Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw","Synthesis, photophysics and electrochemistry of novel, nitrogen-containing heterocyclic derivatives","New Journal of Chemistry","2013","37","7","1982","","10.1039/c3nj00078h","","","","","","0.115","0.0921","","","0.2418","0.2595","","","","","","","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053043","13.4965","0.0005","6.1169","0.0003","13.1345","0.0005","90","","95.157","0.002","90","","1079.95","0.08","293","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(2,2'-Bithiophen-5-yl)-1,2,4-triazine","","- C11 H7 N3 S2 -","- C11 H7 N3 S2 -","- C44 H28 N12 S8 -","4","1","","Branowska, Danuta; Chaciak, Bartosz; Siuchta, Olga; Olender, Ewa; Ledwon, Przemyslaw; Lapkowski, Mieczyslaw; Poronik, Eugenij; Wysocki, Waldemar; Karczmarzyk, Zbigniew; Skora, Lukasz; Filapek, Michał; Krompiec, Stanislaw; Urbanczyk-Lipkowska, Zofia; Kalicki, Przemyslaw","Synthesis, photophysics and electrochemistry of novel, nitrogen-containing heterocyclic derivatives","New Journal of Chemistry","2013","37","7","1982","","10.1039/c3nj00078h","","","","","","0.0458","0.044","","","0.1195","0.1238","","","","","","","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053044","17.137","0.0012","11.457","0.0016","17.233","0.0015","90","","95.355","0.005","90","","3368.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H108 N2 O8 Ti2 -","- C60 H108 N2 O8 Ti2 -","- C120 H216 N4 O16 Ti4 -","2","0.5","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide","New Journal of Chemistry","2013","37","7","1996","","10.1039/c3nj00111c","","","0.71073","MoKα","","0.1157","0.0576","","","0.1211","0.1481","","","","","","1.022","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053045","9.569","0.001","11.6","0.0007","11.819","0.0013","109.497","0.005","96.776","0.004","93.635","0.005","1220.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H80 Al2 N2 O4 -","- C48 H80 Al2 N2 O4 -","- C48 H80 Al2 N2 O4 -","1","0.5","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide","New Journal of Chemistry","2013","37","7","1996","","10.1039/c3nj00111c","","","0.71073","MoKα","","0.1313","0.0782","","","0.1813","0.2188","","","","","","1.013","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053046","6.487","0.0006","7.668","0.0007","17.385","0.0014","98.515","0.005","90.729","0.005","94.709","0.005","852.08","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 Al2 N2 O2 -","- C34 H52 Al2 N2 O2 -","- C34 H52 Al2 N2 O2 -","1","0.5","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide","New Journal of Chemistry","2013","37","7","1996","","10.1039/c3nj00111c","","","0.71073","MoKα","","0.057","0.0428","","","0.1069","0.118","","","","","","1.04","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053047","10.423","0.0002","22.81","0.0005","12.501","0.0002","90","","114.617","0.001","90","","2701.97","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H41 N O4 Ti -","- C24 H41 N O4 Ti -","- C96 H164 N4 O16 Ti4 -","4","1","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide","New Journal of Chemistry","2013","37","7","1996","","10.1039/c3nj00111c","","","0.71073","MoKα","","0.0892","0.0691","","","0.1764","0.1912","","","","","","1.11","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053048","8.835","0.0002","10.756","0.0003","20.488","0.0007","95.503","0.001","90.585","0.001","97.92","0.001","1918.96","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H49 Cl2 N O4 Ti -","- C40 H49 Cl2 N O4 Ti -","- C80 H98 Cl4 N2 O8 Ti2 -","2","1","","Hancock, Stuart L.; Mahon, Mary F.; Jones, Matthew D.","Salen complexes based on 1,4-diaminocyclohexane and their exploitation for the polymerisation of rac-lactide","New Journal of Chemistry","2013","37","7","1996","","10.1039/c3nj00111c","","","0.71073","MoKα","","0.0685","0.0493","","","0.1165","0.1291","","","","","","1.046","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053049","5.7744","0.0003","15.2403","0.0008","7.9988","0.0004","90","","92.736","0.004","90","","703.12","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Belmar, Julio; Quezada, José; Jiménez, Claudio A.; Díaz-Gallifa, Pau; Pasán, Jorge; Ruiz-Pérez, Catalina","Synthesis, crystal structures and tautomerism in novel oximes based on hydroxyalkylpyrazolones","New Journal of Chemistry","2013","37","7","2002","","10.1039/c3nj00163f","","","1.5418","CuKα","","0.047","0.0414","","","0.1059","0.113","","","","","","0.988","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053050","8.298","0.002","15.1999","0.0005","12.458","0.003","90","","149.966","0.003","90","","786.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O3 -","- C6 H9 N3 O3 -","- C24 H36 N12 O12 -","4","1","","Belmar, Julio; Quezada, José; Jiménez, Claudio A.; Díaz-Gallifa, Pau; Pasán, Jorge; Ruiz-Pérez, Catalina","Synthesis, crystal structures and tautomerism in novel oximes based on hydroxyalkylpyrazolones","New Journal of Chemistry","2013","37","7","2002","","10.1039/c3nj00163f","","","1.54184","CuKα","","0.0456","0.0429","","","0.1176","0.121","","","","","","0.996","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053051","15.8072","0.0007","4.92528","0.00015","16.3792","0.0007","90","","116.696","0.005","90","","1139.27","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C44 H44 N12 O12 -","4","1","","Belmar, Julio; Quezada, José; Jiménez, Claudio A.; Díaz-Gallifa, Pau; Pasán, Jorge; Ruiz-Pérez, Catalina","Synthesis, crystal structures and tautomerism in novel oximes based on hydroxyalkylpyrazolones","New Journal of Chemistry","2013","37","7","2002","","10.1039/c3nj00163f","","","1.54184","CuKα","","0.0575","0.0378","","","0.1265","0.1325","","","","","","1.22","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053052","19.586","0.002","5.6198","0.0007","13.7767","0.0016","90","","125.672","0.002","90","","1231.9","0.2","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","0.5","","Li, Chenyu; Luo, Xiaoliang; Zhao, Weijun; Li, Cuihong; Liu, Zhengping; Bo, Zhishan; Dong, Yuping; Dong, Yong Qiang; Tang, Ben Zhong","Switching the emission of tetrakis(4-methoxyphenyl)ethylene among three colors in the solid state","New Journal of Chemistry","2013","37","6","1696","","10.1039/c3nj00063j","","","0.71073","MoKα","","0.0399","0.0328","","","0.0863","0.0907","","","","","","1.059","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053053","15.363","0.003","18.607","0.004","11.891","0.002","90","","102.51","0.03","90","","3318.5","1.2","253","2","253","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H54 N6 O7 Re2 -","- C78 H54 N6 O7 Re2 -","- C156 H108 N12 O14 Re4 -","2","0.5","","Chung, Wai-Kin; Wong, Keith Man-Chung; Lam, Wai Han; Zhu, Xiuling; Zhu, Nianyong; Kwok, Hoi-Sing; Yam, Vivian Wing-Wah","Syntheses, photophysical, electroluminescence and computational studies of rhenium(i) diimine triarylamine-containing alkynyl complexes","New Journal of Chemistry","2013","37","6","1753","","10.1039/c3nj00121k","","","0.71073","MoKα","","0.0362","0.0298","","","0.0747","0.0766","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7053054","15.543","0.003","12.047","0.002","18.937","0.004","90","","110.57","0.03","90","","3319.8","1.3","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 N3 O3 Re -","- C39 H26 N3 O3 Re -","- C156 H104 N12 O12 Re4 -","4","1","","Chung, Wai-Kin; Wong, Keith Man-Chung; Lam, Wai Han; Zhu, Xiuling; Zhu, Nianyong; Kwok, Hoi-Sing; Yam, Vivian Wing-Wah","Syntheses, photophysical, electroluminescence and computational studies of rhenium(i) diimine triarylamine-containing alkynyl complexes","New Journal of Chemistry","2013","37","6","1753","","10.1039/c3nj00121k","","","0.71073","MoKα","","0.0535","0.0329","","","0.0763","0.0803","","","","","","0.898","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053055","36.572","0.007","12.522","0.003","23.379","0.005","90","","124.77","0.03","90","","8795","5","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H42 Cl4 N3 O3 Re -","- C43 H42 Cl4 N3 O3 Re -","- C344 H336 Cl32 N24 O24 Re8 -","8","1","","Chung, Wai-Kin; Wong, Keith Man-Chung; Lam, Wai Han; Zhu, Xiuling; Zhu, Nianyong; Kwok, Hoi-Sing; Yam, Vivian Wing-Wah","Syntheses, photophysical, electroluminescence and computational studies of rhenium(i) diimine triarylamine-containing alkynyl complexes","New Journal of Chemistry","2013","37","6","1753","","10.1039/c3nj00121k","","","0.71073","MoKα","","0.0684","0.0443","","","0.1146","0.1199","","","","","","0.931","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7053056","17.1501","0.0005","11.1874","0.0009","20.5208","0.0011","90","","105.596","0.004","90","","3792.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H33 N8 O13 Sm Zn -","- C32 H33 N8 O13 Sm Zn -","- C128 H132 N32 O52 Sm4 Zn4 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0689","0.0477","","","0.1214","0.1292","","","","","","1.038","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053057","12.9132","0.0005","19.373","0.0006","15.1871","0.0006","90","","98.684","0.003","90","","3755.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Eu N8 Ni O14 -","- C32 H35 Eu N8 Ni O14 -","- C128 H140 Eu4 N32 Ni4 O56 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0547","0.0305","","","0.0519","0.0563","","","","","","0.9","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053058","12.8862","0.0005","19.4017","0.0006","15.1766","0.0006","90","","98.747","0.003","90","","3750.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Gd N8 Ni O14 -","- C32 H35 Gd N8 Ni O14 -","- C128 H140 Gd4 N32 Ni4 O56 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0732","0.0395","","","0.0575","0.0638","","","","","","1.006","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053059","12.8557","0.0005","19.4086","0.0007","15.1631","0.0007","90","","99.045","0.004","90","","3736.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Dy N8 Ni O14 -","- C32 H35 Dy N8 Ni O14 -","- C128 H140 Dy4 N32 Ni4 O56 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.042","0.0272","","","0.0522","0.056","","","","","","1.002","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053060","12.8478","0.0005","19.3966","0.0006","15.1553","0.0005","90","","98.995","0.003","90","","3730.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Ho N8 Ni O14 -","- C32 H35 Ho N8 Ni O14 -","- C128 H140 Ho4 N32 Ni4 O56 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0495","0.0296","","","0.0496","0.0534","","","","","","0.955","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053061","16.8588","0.0007","11.2386","0.0003","20.4501","0.001","90","","104.911","0.004","90","","3744.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H33 Cu Eu N8 O13 -","- C32 H33 Cu Eu N8 O13 -","- C128 H132 Cu4 Eu4 N32 O52 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0845","0.0516","","","0.1095","0.1202","","","","","","1.033","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053062","16.8607","0.0006","11.2122","0.0004","20.4234","0.0007","90","","104.879","0.003","90","","3731.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C32 H33 Cu Gd N8 O13 -","- C32 H33 Cu Gd N8 O13 -","- C128 H132 Cu4 Gd4 N32 O52 -","4","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0881","0.0498","","","0.1138","0.1257","","","","","","1.038","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053063","21.981","0.0008","12.7911","0.0003","16.9394","0.0007","90","","130.558","0.002","90","","3618.5","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 N8 O13 Sm Zn -","- C30 H29 N8 O13 Sm Zn -","- C120 H116 N32 O52 Sm4 Zn4 -","4","0.5","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0232","0.0191","","","0.0465","0.0476","","","","","","0.994","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053064","21.9113","0.0018","12.7257","0.0007","16.8798","0.0015","90","","130.47","0.03","90","","3580.6","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 Gd N8 O13 Zn -","- C30 H29 Gd N8 O13 Zn -","- C120 H116 Gd4 N32 O52 Zn4 -","4","0.5","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0446","0.0319","","","0.0611","0.0635","","","","","","0.935","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053065","21.9564","0.0015","12.7382","0.0005","16.9246","0.0013","90","","130.408","0.005","90","","3604.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 N8 O13 Tb Zn -","- C30 H29 N8 O13 Tb Zn -","- C120 H116 N32 O52 Tb4 Zn4 -","4","0.5","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0362","0.0264","","","0.0549","0.0568","","","","","","0.939","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053066","21.795","0.002","12.7388","0.0014","16.8446","0.0019","90","","130.612","0.006","90","","3550.3","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 Eu N8 O13 Zn -","- C30 H29 Eu N8 O13 Zn -","- C120 H116 Eu4 N32 O52 Zn4 -","4","0.5","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0449","0.0339","","","0.0762","0.0793","","","","","","0.922","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053067","14.4975","0.0008","23.6838","0.0016","23.5318","0.0016","90","","104.979","0.006","90","","7805.2","0.9","293","2","293","2","","","","","","","","6","C 1 2/n 1","-C 2yac","15","","","","- C28 H34 N7 Ni O17 Sm -","- C28 H30 N7 Ni O17 Sm -","- C224 H240 N56 Ni8 O136 Sm8 -","8","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.0661","0.0308","","","0.0505","0.0562","","","","","","0.81","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053068","12.966","0.002","13.261","0.002","13.785","0.002","71.469","0.013","67.302","0.013","77.851","0.013","2062.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Eu N9 Ni O14 -","- C32 H32 Eu N9 Ni O14 -","- C64 H64 Eu2 N18 Ni2 O28 -","2","1","","Sarwar, Masood; Madalan, Augustin M.; Tiseanu, Carmen; Novitchi, Ghenadie; Maxim, Catalin; Marinescu, Gabriela; Luneau, Dominique; Andruh, Marius","A new synthetic route towards binuclear 3d‒4f complexes, using non-compartmental ligands derived from o-vanillin. Syntheses, crystal structures, magnetic and luminescent properties","New Journal of Chemistry","2013","37","8","2280","","10.1039/c3nj00199g","","","0.71073","MoKα","","0.1327","0.0651","","","0.0954","0.1123","","","","","","0.858","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053069","10.037","0.003","16.03","0.004","14.767","0.004","90","","109.64","0.007","90","","2237.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 N Sc Si -","- C21 H36 N Sc Si -","- C84 H144 N4 Sc4 Si4 -","4","1","","Luo, Yunjie; Chi, Shuhui; Chen, Jue","Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene","New Journal of Chemistry","2013","37","9","2675","","10.1039/c3nj00214d","","","0.7107","MoKα","","0.1675","0.1056","","","0.2371","0.2775","","","","","","1.181","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053070","27.0591","0.0011","9.9549","0.0003","17.3059","0.0007","90","","112.102","0.005","90","","4319.1","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 N Si Y -","- C21 H36 N Si Y -","- C168 H288 N8 Si8 Y8 -","8","1","","Luo, Yunjie; Chi, Shuhui; Chen, Jue","Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene","New Journal of Chemistry","2013","37","9","2675","","10.1039/c3nj00214d","","","0.7107","MoKα","","0.0515","0.0357","","","0.0803","0.0848","","","","","","1.041","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053071","26.9928","0.0009","9.9102","0.0002","17.1932","0.0005","90","","112.218","0.004","90","","4257.8","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H36 Lu N Si -","- C21 H36 Lu N Si -","- C168 H288 Lu8 N8 Si8 -","8","1","","Luo, Yunjie; Chi, Shuhui; Chen, Jue","Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene","New Journal of Chemistry","2013","37","9","2675","","10.1039/c3nj00214d","","","0.7107","MoKα","","0.0376","0.0262","","","0.0509","0.0543","","","","","","1.073","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053072","10.7456","0.0016","10.7843","0.0013","16.231","0.002","108.818","0.006","93.485","0.008","94.941","0.01","1765.9","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H54 N3 Sc Si5 -","- C22.92 H33 N2.99 Sc Si4.98 -","- C45.84 H66 N5.98 Sc2 Si9.96 -","2","1","","Luo, Yunjie; Chi, Shuhui; Chen, Jue","Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene","New Journal of Chemistry","2013","37","9","2675","","10.1039/c3nj00214d","","","0.71075","MoKα","","0.115","0.079","","","0.2222","0.2485","","","","","","1.099","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053073","9.934","0.0004","19.5918","0.0007","17.466","0.0013","90","","97.036","0.005","90","","3373.7","0.3","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H54 N3 Si5 Y -","- C23 H54 N3 Si5 Y -","- C92 H216 N12 Si20 Y4 -","4","1","","Luo, Yunjie; Chi, Shuhui; Chen, Jue","Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene","New Journal of Chemistry","2013","37","9","2675","","10.1039/c3nj00214d","","","0.7107","MoKα","","0.0684","0.0436","","","0.0906","0.0971","","","","","","1","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053074","9.9233","0.0003","19.4249","0.0005","17.3278","0.0005","90","","96.934","0.002","90","","3315.66","0.16","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H54 Lu N3 Si5 -","- C23 H54 Lu N3 Si5 -","- C92 H216 Lu4 N12 Si20 -","4","1","","Luo, Yunjie; Chi, Shuhui; Chen, Jue","Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene","New Journal of Chemistry","2013","37","9","2675","","10.1039/c3nj00214d","","","0.7107","MoKα","","0.0403","0.0294","","","0.0565","0.0601","","","","","","1.001","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053075","7.076","0.003","8.7129","0.0011","15.6143","0.0019","86.398","0.015","76.694","0.012","81.384","0.01","925.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 Co O8 -","- C21 H16 Co O8 -","- C42 H32 Co2 O16 -","2","1","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.2201","0.0534","","","0.089","0.1194","","","","","","0.968","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053076","19.554","0.004","14.761","0.003","8.3825","0.0016","90","","90","","90","","2419.5","0.8","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30 H18 Co N2 O6 -","- C30 H18 Co N2 O6 -","- C120 H72 Co4 N8 O24 -","4","","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.1456","0.0618","","","0.0944","0.1084","","","","","","1.008","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053077","9.2002","0.0003","16.3387","0.0005","16.4478","0.0005","90","","90","","90","","2472.42","0.13","293","2","293","2","","","","","","","","5","P b n n","-P 2n 2b","52","","","","- C30 H18 Cd N2 O6 -","- C30 H18 Cd N2 O6 -","- C120 H72 Cd4 N8 O24 -","4","0.5","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.0371","0.0283","","","0.0698","0.0741","","","","","","1.041","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053078","13.6277","0.0003","13.6277","0.0003","21.4357","0.0003","90","","90","","90","","3980.91","0.14","293","2","293","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C21 H18 Co O9 -","- C21 H18 Co O9 -","- C168 H144 Co8 O72 -","8","1","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.1682","0.0748","","","0.1693","0.2138","","","","","","0.974","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053079","8.2341","0.0001","8.2839","0.0002","11.321","0.0001","69.656","0.001","72.198","0.001","61.084","0.001","624.801","0.019","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Cu N4 O6 -","- C28 H22 Cu N4 O6 -","- C28 H22 Cu N4 O6 -","1","0.5","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.0923","0.0636","","","0.1322","0.1507","","","","","","1.072","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053080","19.6716","0.0011","14.8036","0.0008","8.3806","0.0005","90","","90","","90","","2440.5","0.2","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30 H18 N2 O6 Zn -","- C30 H18 N2 O6 Zn -","- C120 H72 N8 O24 Zn4 -","4","","","Casanova, Isabel; Sousa-Pedrares, Antonio; Viqueira, Joaquin; Durán, María L.; Romero, Jaime; Sousa, Antonio; García-Vázquez, José A.","Electrochemical synthesis and structural characterization of homoleptic and heteroleptic cobalt, nickel, copper, zinc and cadmium compounds with the 2-hydroxy-1,4-naphthoquinone ligand","New Journal of Chemistry","2013","37","8","2303","","10.1039/c3nj00227f","","","0.71073","MoKα","","0.0751","0.0421","","","0.0758","0.0875","","","","","","1.063","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053081","45.859","0.004","6.0059","0.0004","15.782","0.001","90","","105.08","0.004","90","","4197.1","0.5","123","","123","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O2 S2 -","- C24 H24 N2 O2 S2 -","- C192 H192 N16 O16 S16 -","8","1","","Mikata, Yuji; Nakagaki, Fumie; Nakanishi, Kaori","Thioether-tethered bisquinoline derivatives as fluorescent probes for mercury(ii) and iron(iii) ions","New Journal of Chemistry","2013","37","8","2236","","10.1039/c3nj00233k","","","0.7107","MoKα","","","0.0424","","","","0.1105","","","","","","1.086","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053082","14.2333","0.0007","14.4741","0.0007","15.0775","0.0009","101.041","0.0015","113.072","0.0008","111.103","0.0003","2457.8","0.2","123.1","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H20 Cl2 Hg N2 O8 S2 -","- C22 H20 Cl2 Hg N2 O8 S2 -","- C88 H80 Cl8 Hg4 N8 O32 S8 -","4","2","","Mikata, Yuji; Nakagaki, Fumie; Nakanishi, Kaori","Thioether-tethered bisquinoline derivatives as fluorescent probes for mercury(ii) and iron(iii) ions","New Journal of Chemistry","2013","37","8","2236","","10.1039/c3nj00233k","","","0.7107","MoKα","","","0.0364","","","","0.0856","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053083","14.1182","0.0007","14.1182","0.0007","12.4604","0.0011","90","","90","","90","","2483.7","0.3","150","2","150","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- Co H48 K4 O62 Si W11 -","- Co0.96 K4 O62 Si W11.04 -","- Co1.92 K8 O124 Si2 W22.08 -","2","0.125","","Balula, Salete S.; Cunha-Silva, Luís; Santos, Isabel C. M. S.; Estrada, Ana C.; Fernandes, A. C.; Cavaleiro, José A. S.; Pires, João; Freire, Cristina; Cavaleiro, Ana M. V.","Mono-substituted silicotungstates as active catalysts for sustainable oxidations: homo- and heterogeneous performance","New Journal of Chemistry","2013","37","8","2341","","10.1039/c3nj00243h","","","0.71073","MoKα","","0.0409","0.0382","","","0.0952","0.0971","","","","","","1.15","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053084","17.928","0.005","10.121","0.005","21.863","0.005","90","","113.697","0.005","90","","3633","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Cu O8 P S4 -","- C36 H32 Cu O8 P S4 -","- C144 H128 Cu4 O32 P4 S16 -","4","1","","Tripathi, Kumud Malika; Begum, Ameerunisha; Sonkar, Sumit Kumar; Sarkar, Sabyasachi","Nanospheres of copper(iii) 1,2-dicarbomethoxy-1,2-dithiolate and its composite with water soluble carbon nanotubes","New Journal of Chemistry","2013","37","9","2708","","10.1039/c3nj00368j","","","0.71073","MoKα","","0.0794","0.0535","","","0.1353","0.1809","","","","","","1.062","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053085","17.251","0.003","12.4954","0.0019","28.007","0.004","90","","97.612","0.003","90","","5983.9","1.6","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C104.9 H160.8 Cl5.8 N19 O20 P2 S2 -","- C104 H148 Cl4 N19 O20 P2 S2 -","- C208 H296 Cl8 N38 O40 P4 S4 -","2","0.5","","Zhang, Yanlei; Zhang, Rui; Zhao, Yanxia; Ji, Liguo; Jia, Chuandong; Wu, Biao","Anion binding of tris-(thio)urea ligands","New Journal of Chemistry","2013","37","8","2266","","10.1039/c3nj00401e","","","0.71073","MoKα","","0.1157","0.0845","","","0.2508","0.2771","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053086","20.3327","0.0003","7.2956","0.0001","26.1828","0.0005","90","","114.731","0.002","90","","3527.71","0.11","100","1","100","1","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 B Cl2 F2 N3 -","- C18 H16 B Cl2 F2 N3 -","- C144 H128 B8 Cl16 F16 N24 -","8","1","","Bartelmess, Juergen; Weare, Walter W.; Latortue, Narah; Duong, Christina; Jones, Daniel S.","meso-Pyridyl BODIPYs with tunable chemical, optical and electrochemical properties","New Journal of Chemistry","2013","37","9","2663","","10.1039/c3nj00426k","","x-ray","1.54184","CuKα","","0.0261","0.025","","","0.066","0.067","","","","","","1.049","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053087","7.3678","0.0001","22.1323","0.0003","10.9276","0.0002","90","","109.642","0.002","90","","1678.24","0.05","100","1","100","1","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 B Cl F2 N3 -","- C18 H17 B Cl F2 N3 -","- C72 H68 B4 Cl4 F8 N12 -","4","1","","Bartelmess, Juergen; Weare, Walter W.; Latortue, Narah; Duong, Christina; Jones, Daniel S.","meso-Pyridyl BODIPYs with tunable chemical, optical and electrochemical properties","New Journal of Chemistry","2013","37","9","2663","","10.1039/c3nj00426k","","x-ray","1.54184","CuKα","","0.0372","0.0352","","","0.0918","0.0933","","","","","","1.085","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053088","8.925","0.003","7.601","0.002","26.621","0.008","90","","92.886","0.004","90","","1803.6","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3-Bis(S)1,2,3,4-tetrahydronaphtalen-1-yl)urea","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C84 H96 N8 O4 -","4","2","","Trejo-Huizar, Karla Elisa; Ortiz-Rico, Ricardo; Peña-González, María de los Angeles; Hernández-Rodríguez, Marcos","Recognition of chiral carboxylates by 1,3-disubstituted thioureas with 1-arylethyl scaffolds","New Journal of Chemistry","2013","37","9","2610","","10.1039/c3nj00644a","","","0.71073","MoKα","","0.1004","0.0676","","","0.1135","0.1258","","","","","","1.095","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053089","9.5896","0.0001","13.9112","0.0002","16.3886","0.0003","109.382","0.001","94.1999","0.0011","107.952","0.0009","1924.07","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H79 Fe3 N28 O14 Th2 -","- C48 H79 Fe3 N28 O14 Th2 -","- C48 H79 Fe3 N28 O14 Th2 -","1","0.5","","Dumas, Thomas; Charbonnel, Marie Christine; Charushnikova, Iraida A.; Conradson, Steven D.; Fillaux, Clara; Hennig, Christoph; Moisy, Philippe; Petit, Sébastien; Scheinost, Andreas C.; Shuh, David K.; Tyliszczak, Tolek; Auwer, Christophe Den","Multi-edge X-ray absorption spectroscopy of thorium, neptunium and plutonium hexacyanoferrate compounds","New Journal of Chemistry","2013","37","10","3003","","10.1039/c3nj00318c","","","0.71073","MoKα","","0.0408","0.0354","","","0.0925","0.095","","","","","","1.072","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053090","9.7335","0.0019","17.276","0.004","10.034","0.002","90","","99.91","0.03","90","","1662.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H38 Fe N11 O12 Th -","- C18 H38 Fe N11 O12 Th -","- C36 H76 Fe2 N22 O24 Th2 -","2","0.5","","Dumas, Thomas; Charbonnel, Marie Christine; Charushnikova, Iraida A.; Conradson, Steven D.; Fillaux, Clara; Hennig, Christoph; Moisy, Philippe; Petit, Sébastien; Scheinost, Andreas C.; Shuh, David K.; Tyliszczak, Tolek; Auwer, Christophe Den","Multi-edge X-ray absorption spectroscopy of thorium, neptunium and plutonium hexacyanoferrate compounds","New Journal of Chemistry","2013","37","10","3003","","10.1039/c3nj00318c","","","0.71073","MoKα","","0.0478","0.0407","","","0.1066","0.1101","","","","","","1.08","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053091","4.5858","0.0001","12.6009","0.0002","21.26","0.0004","90","","94.044","0.0007","90","","1225.45","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-aminosalicylic acid - nicotinamide cocrystal","","","- C13 H13 N3 O4 -","- C13 H13 N3 O4 -","- C52 H52 N12 O16 -","4","1","","Sarcevica, Inese; Orola, Liana; Belyakov, Sergey; Veidis, Mikelis V.","Spontaneous cocrystal hydrate formation in the solid state: crystal structure aspects and kinetics","New Journal of Chemistry","2013","37","10","2978","","10.1039/c3nj00489a","","","0.71069","MoKα","","0.0506","0.0379","","","0.0903","0.0971","","","","","","1.029","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053092","16.9534","0.0018","12.6293","0.0013","26.729","0.003","90","","92.474","0.002","90","","5717.6","1.1","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H132 Ag20 N14 O33 S10 -","- C59 H132 Ag20 N14 O33 S10 -","- C118 H264 Ag40 N28 O66 S20 -","2","0.5","","Yuan, Shuai; Deng, Yong-Kai; Wang, Xing-Po; Sun, Di","A temperature-sensitive luminescent Ag20 nanocluster templated by carbonate in situ generated from atmospheric CO2 fixation","New Journal of Chemistry","2013","37","10","2973","","10.1039/c3nj00645j","","","0.71073","MoKα","","0.1661","0.0888","","","0.1933","0.2309","","","","","","1.001","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053093","6.9519","0.0006","14.9904","0.0013","12.8623","0.0013","90","","103.276","0.006","90","","1304.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-pyridyl)-imidazole, silver(I) perchlorate","","- C10 H10 Ag Cl N4 O4 -","- C10 H10 Ag Cl N4 O4 -","- C40 H40 Ag4 Cl4 N16 O16 -","4","1","","Abul Haj, Mohammad; Aakeröy, Christer B.; Desper, John","Silver(i) coordination chemistry: from 1-D chains to molecular rectangles","New Journal of Chemistry","2013","37","1","204","","10.1039/c2nj40669a","","","0.71073","MoKα","","0.1227","0.0667","","","0.151","0.1769","","","","","","0.969","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053094","6.7927","0.0003","15.7016","0.0007","13.1938","0.0006","90","","102.723","0.002","90","","1372.65","0.11","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-pyridyl)-imidazole, silver(I) hexafluorophosphate","","- C10 H10 Ag F6 N4 P -","- C10 H10 Ag F6 N4 P -","- C40 H40 Ag4 F24 N16 P4 -","4","1","","Abul Haj, Mohammad; Aakeröy, Christer B.; Desper, John","Silver(i) coordination chemistry: from 1-D chains to molecular rectangles","New Journal of Chemistry","2013","37","1","204","","10.1039/c2nj40669a","","","0.71073","MoKα","","0.0353","0.0278","","","0.0621","0.0648","","","","","","1.02","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053095","6.4496","0.0005","13.5953","0.0011","8.6168","0.0006","90","","94.244","0.003","90","","753.49","0.1","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(2-imidazolyl)-pyridine, silver(I)","","- C8 H6 Ag N3 -","- C8 H6 Ag N3 -","- C32 H24 Ag4 N12 -","4","1","","Abul Haj, Mohammad; Aakeröy, Christer B.; Desper, John","Silver(i) coordination chemistry: from 1-D chains to molecular rectangles","New Journal of Chemistry","2013","37","1","204","","10.1039/c2nj40669a","","","0.71073","MoKα","","0.0401","0.0321","","","0.0686","0.0712","","","","","","1.151","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053096","6.9704","0.0004","7.8319","0.0005","19.4544","0.0011","79.749","0.002","85.086","0.002","81.023","0.002","1030.46","0.11","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-(2-imidazolyl)-pyridine, silver(I) nitrate","","- C32 H34 Ag4 N16 O15 -","- C32 H34 Ag4 N16 O15 -","- C32 H34 Ag4 N16 O15 -","1","0.5","","Abul Haj, Mohammad; Aakeröy, Christer B.; Desper, John","Silver(i) coordination chemistry: from 1-D chains to molecular rectangles","New Journal of Chemistry","2013","37","1","204","","10.1039/c2nj40669a","","","0.71073","MoKα","","0.0305","0.0261","","","0.0568","0.0596","","","","","","1.092","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053097","13.736","0.0004","17.136","0.0005","23.276","0.0003","90","","123.993","0.0014","90","","4542.4","0.2","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 N2 O8 -","- C48 H62 N2 O8 -","- C192 H248 N8 O32 -","4","1","","Hudeček, Oldřich; Budka, Jan; Dvořáková, Hana; Cuřínová, Petra; Císařová, Ivana; Lhoták, Pavel","Anion receptors based on ureidocalix[4]arenes immobilised in the partial cone conformation","New Journal of Chemistry","2013","37","1","220","","10.1039/c2nj40724h","","","0.71073","MoKα","","0.097","0.0609","","","0.1683","0.1959","","","","","","0.999","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053098","16.6808","0.0008","16.6808","0.0008","52.257","0.005","90","","90","","120","","12592.4","1.5","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 Mn N4 O24 P6 -","- C15 H58 Mn N4 O24 P6 -","- C180 H696 Mn12 N48 O288 P72 -","12","0.333333","","Tian, Hui; Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Zhu, Jiang; Chu, Wei; Sun, Shou-Hui; Zheng, Ming-Jing","Mixed-solvothermal synthesis, structures, luminescent and surface photovoltage properties of four new transition metal diphosphonates with a 3D supramolecular structure","New Journal of Chemistry","2013","37","1","212","","10.1039/c2nj40737j","","","0.71073","MoKα","","0.0798","0.0549","","","0.1507","0.1747","","","","","","1","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053099","16.6483","0.0006","16.6483","0.0006","51.521","0.003","90","","90","","120","","12366.7","1","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 Co N4 O24 P6 -","- C15 H58 Co N4 O24 P6 -","- C180 H696 Co12 N48 O288 P72 -","12","0.333333","","Tian, Hui; Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Zhu, Jiang; Chu, Wei; Sun, Shou-Hui; Zheng, Ming-Jing","Mixed-solvothermal synthesis, structures, luminescent and surface photovoltage properties of four new transition metal diphosphonates with a 3D supramolecular structure","New Journal of Chemistry","2013","37","1","212","","10.1039/c2nj40737j","","","0.71073","MoKα","","0.0636","0.0497","","","0.1578","0.1724","","","","","","1.097","","","","has coordinates","180084","2020-10-21","18:00:00",""
"7053100","16.6093","0.0007","16.6093","0.0007","51.213","0.004","90","","90","","120","","12235.3","1.2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 N4 Ni O24 P6 -","- C15 H58 N4 Ni O24 P6 -","- C180 H696 N48 Ni12 O288 P72 -","12","0.333333","","Tian, Hui; Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Zhu, Jiang; Chu, Wei; Sun, Shou-Hui; Zheng, Ming-Jing","Mixed-solvothermal synthesis, structures, luminescent and surface photovoltage properties of four new transition metal diphosphonates with a 3D supramolecular structure","New Journal of Chemistry","2013","37","1","212","","10.1039/c2nj40737j","","","0.71073","MoKα","","0.0654","0.0499","","","0.1496","0.1666","","","","","","1.048","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053101","16.6344","0.0015","16.6344","0.0015","51.382","0.007","90","","90","","120","","12313","2","293","2","293","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C15 H58 N4 O24 P6 Zn -","- C15 H58 N4 O24 P6 Zn -","- C180 H696 N48 O288 P72 Zn12 -","12","0.333333","","Tian, Hui; Zhu, Yan-Yu; Sun, Zhen-Gang; Tong, Fei; Zhu, Jiang; Chu, Wei; Sun, Shou-Hui; Zheng, Ming-Jing","Mixed-solvothermal synthesis, structures, luminescent and surface photovoltage properties of four new transition metal diphosphonates with a 3D supramolecular structure","New Journal of Chemistry","2013","37","1","212","","10.1039/c2nj40737j","","","0.71073","MoKα","","0.0769","0.0531","","","0.1458","0.1617","","","","","","1.061","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053102","10.382","0.002","11.335","0.003","12.001","0.005","113.852","0.008","99.102","0.008","108.116","0.006","1160.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 Ag F6 N8 P -","- C54 H44 Ag F6 N8 P -","- C54 H44 Ag F6 N8 P -","1","0.5","","Dinda, Joydev; Adhikary, Sirsendu Das; Seth, Saikat Kumar; Mahapatra, Ambikesh","Carbazole functionalized luminescent silver(i), gold(i) and gold(iii)‒N-heterocyclic carbene complexes: a new synthetic disproportionation approach towards Au(i)‒NHC to provide Au(iii)‒NHC","New Journal of Chemistry","2013","37","2","431","","10.1039/c2nj40740j","","","0.71073","MoKα","","0.0479","0.0377","","","0.0789","0.0837","","","","","","1.029","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053103","10.107","0.002","11.469","0.001","12.087","0.002","113.244","0.001","100.451","0.003","106.521","0.001","1163.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 Au F6 N8 P -","- C54 H44 Au F6 N8 P -","- C54 H44 Au F6 N8 P -","1","0.5","","Dinda, Joydev; Adhikary, Sirsendu Das; Seth, Saikat Kumar; Mahapatra, Ambikesh","Carbazole functionalized luminescent silver(i), gold(i) and gold(iii)‒N-heterocyclic carbene complexes: a new synthetic disproportionation approach towards Au(i)‒NHC to provide Au(iii)‒NHC","New Journal of Chemistry","2013","37","2","431","","10.1039/c2nj40740j","","","0.71073","MoKα","","0.0468","0.0441","","","0.104","0.1061","","","","","","1.069","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053104","7.6394","0.0009","15.8473","0.0018","8.8524","0.0011","90","","95.036","0.003","90","","1067.6","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 Au Cl3 N3 -","- C22 H19 Au Cl3 N3 -","- C44 H38 Au2 Cl6 N6 -","2","1","","Dinda, Joydev; Adhikary, Sirsendu Das; Seth, Saikat Kumar; Mahapatra, Ambikesh","Carbazole functionalized luminescent silver(i), gold(i) and gold(iii)‒N-heterocyclic carbene complexes: a new synthetic disproportionation approach towards Au(i)‒NHC to provide Au(iii)‒NHC","New Journal of Chemistry","2013","37","2","431","","10.1039/c2nj40740j","","","0.71073","MoKα","","0.028","0.0256","","","0.0583","0.0593","","","","","","1.017","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053105","9.2067","0.0018","19.017","0.004","16.825","0.003","90","","100.56","0.03","90","","2895.9","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 Cd N5 O9 S2 -","- C20 H14 Cd N4 O4 S2 -","- C80 H56 Cd4 N16 O16 S8 -","4","1","","zhou, Xiaojing; Zhang, Zhijuan; Li, Baiyan; Yang, Fen; Peng, Yu; Li, Guanghua; Shi, Zhan; Feng, Shouhua; Li, Jing","Two three-dimensional metal‒organic frameworks constructed by thiazole-spaced pyridinecarboxylates exhibiting selective gas sorption or antiferromagnetic coupling","New Journal of Chemistry","2013","37","2","425","","10.1039/c2nj40805h","","","0.71073","MoKα","","0.0588","0.0374","","","0.0673","0.0716","","","","","","0.865","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053106","9.1726","0.0018","18.956","0.004","16.748","0.003","90","","102.13","0.03","90","","2847.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Mn N5 O8 S2 -","- C20 H14 Mn N4 O4 S2 -","- C80 H56 Mn4 N16 O16 S8 -","4","1","","zhou, Xiaojing; Zhang, Zhijuan; Li, Baiyan; Yang, Fen; Peng, Yu; Li, Guanghua; Shi, Zhan; Feng, Shouhua; Li, Jing","Two three-dimensional metal‒organic frameworks constructed by thiazole-spaced pyridinecarboxylates exhibiting selective gas sorption or antiferromagnetic coupling","New Journal of Chemistry","2013","37","2","425","","10.1039/c2nj40805h","","","0.71073","MoKα","","0.0543","0.0354","","","0.0715","0.0753","","","","","","0.855","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053107","7.0234","0.0003","11.5161","0.0007","16.6952","0.0013","84.67","0.003","85.169","0.004","81.571","0.004","1326.56","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H31 I N4 O3 S3 -","- C21 H31 I N4 O3 S3 -","- C42 H62 I2 N8 O6 S6 -","2","1","","Park, Hee-Jun; Kim, Wooyul; Choi, Wonyong; Chung, Young Keun","Ruthenium(ii) complexes incorporating the bidentate ligand containing an imidazolium moiety: synthesis, characterization, and electrochemical properties and their application in a visible-light induced hydrogen-evolving system","New Journal of Chemistry","2013","37","10","3174","","10.1039/c3nj00014a","","","0.71073","MoKα","","0.1514","0.073","","","0.1492","0.1842","","","","","","1.03","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053108","12.8038","0.0007","12.9738","0.0007","15.058","0.0009","82.105","0.003","83.499","0.003","75.437","0.003","2389.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H39 F18 N8 O5 P3 Ru -","- C39 H29 F18 N8 P3 Ru -","- C78 H58 F36 N16 P6 Ru2 -","2","1","","Park, Hee-Jun; Kim, Wooyul; Choi, Wonyong; Chung, Young Keun","Ruthenium(ii) complexes incorporating the bidentate ligand containing an imidazolium moiety: synthesis, characterization, and electrochemical properties and their application in a visible-light induced hydrogen-evolving system","New Journal of Chemistry","2013","37","10","3174","","10.1039/c3nj00014a","","","0.71073","MoKα","","0.1049","0.0756","","","0.2176","0.2419","","","","","","0.963","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053109","8.242","0.001","8.242","0.001","22.569","0.004","90","","90","","120","","1327.7","0.3","298","2","298","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C3 H3 Fe O6 -","- C3 H3 Fe O6 -","- C18 H18 Fe6 O36 -","6","0.166667","","Paredes-García, Verónica; Rojas, Ignacio; Madrid, Rosa; Vega, Andres; Navarro-Moratalla, Efrén; Cañón-Mancisidor, Walter; Spodine, Evgenia; Venegas-Yazigi, Diego","Structural and magnetic characterization of the tridimensional network [Fe(HCO2)3]n·nHCO2H","New Journal of Chemistry","2013","37","7","2120","","10.1039/c3nj00023k","","","0.71073","MoKα","","0.0174","0.017","","","0.051","0.0513","","","","","","1.019","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053110","17.749","0.007","16.668","0.006","21.755","0.008","90","","94.496","0.008","90","","6416","4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32.75 H40 N O11.75 S -","- C31 H33 N O10 S -","- C248 H264 N8 O80 S8 -","8","1","","Wu, Meng; Wang, Zi-Wen; Liu, Yu-Xiu; Song, Hai-Bin; Zhang, Ao; Meng, Ling-Hua; Wang, Qing-Min","Different salt derivatives of phenanthroindolizidine alkaloids display different in vitro antitumor activity","New Journal of Chemistry","2013","37","6","1817","","10.1039/c3nj00031a","","","0.71073","MoKα","","0.0562","0.045","","","0.122","0.1275","","","","","","1.041","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053111","13.8857","0.0015","16.496","0.002","19.62","0.003","90","","90.266","0.008","90","","4494.1","1","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H32 Cl N O5 -","- C25 H32 Cl N O5 -","- C200 H256 Cl8 N8 O40 -","8","1","","Wu, Meng; Wang, Zi-Wen; Liu, Yu-Xiu; Song, Hai-Bin; Zhang, Ao; Meng, Ling-Hua; Wang, Qing-Min","Different salt derivatives of phenanthroindolizidine alkaloids display different in vitro antitumor activity","New Journal of Chemistry","2013","37","6","1817","","10.1039/c3nj00031a","","","0.71073","MoKα","","0.085","0.0551","","","0.1141","0.1283","","","","","","0.969","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053112","14.507","0.003","16.714","0.003","20.116","0.004","90","","92.21","0.03","90","","4873.9","1.7","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.78 H31.11 I N O4.78 -","- C24 H28 I N O4 -","- C192 H224 I8 N8 O32 -","8","1","","Wu, Meng; Wang, Zi-Wen; Liu, Yu-Xiu; Song, Hai-Bin; Zhang, Ao; Meng, Ling-Hua; Wang, Qing-Min","Different salt derivatives of phenanthroindolizidine alkaloids display different in vitro antitumor activity","New Journal of Chemistry","2013","37","6","1817","","10.1039/c3nj00031a","","","0.71073","MoKα","","0.0702","0.0558","","","0.1257","0.1329","","","","","","1.144","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053113","7.2916","0.0003","13.7926","0.0005","14.493","0.0006","78.306","0.002","82.839","0.002","80.576","0.002","1401.72","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br2 N6 O6 -","- C26 H28 Br2 N6 O6 -","- C52 H56 Br4 N12 O12 -","2","1","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.077","0.0444","","","0.1297","0.1513","","","","","","0.962","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053114","7.0527","0.0012","13.808","0.002","14.472","0.002","78.038","0.005","83.616","0.005","81.133","0.005","1357.7","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl2 N6 O6 -","- C26 H28 Cl2 N6 O6 -","- C52 H56 Cl4 N12 O12 -","2","1","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.1116","0.0647","","","0.1609","0.1907","","","","","","0.962","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053115","8.5912","0.0004","12.595","0.0006","14.3918","0.0007","90","","106.76","0.002","90","","1491.13","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N6 O14 S2 -","- C26 H30 N6 O14 S2 -","- C52 H60 N12 O28 S4 -","2","0.5","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.0962","0.0875","","","0.2195","0.2258","","","","","","0.908","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053116","6.691","0.003","13.879","0.006","17.851","0.007","90","","109.63","0.02","90","","1561.4","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 N6 O12 S2 -","- C28 H30 N6 O12 S2 -","- C56 H60 N12 O24 S4 -","2","0.5","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.0831","0.0554","","","0.1545","0.1746","","","","","","0.998","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053117","6.9112","0.0009","9.5788","0.0011","20.126","0.002","90","","94.476","0.008","90","","1328.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N8 O10 -","- C26 H24 N8 O10 -","- C52 H48 N16 O20 -","2","0.5","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.0754","0.0528","","","0.1699","0.2139","","","","","","1.166","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053118","19.277","0.006","9.226","0.003","34.761","0.01","90","","116.698","0.019","90","","5523","3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H102 F24 N24 O19 Si4 -","- C104 H96 F24 N24 O19 Si4 -","- C208 H192 F48 N48 O38 Si8 -","2","0.5","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.1156","0.0817","","","0.1765","0.246","","","","","","1.116","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053119","9.5472","0.0005","24.1664","0.001","12.7016","0.0005","90","","101.922","0.002","90","","2867.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cl2 N6 O12 -","- C26 H24 Cl2 N6 O12 -","- C104 H96 Cl8 N24 O48 -","4","1","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.147","0.0733","","","0.1829","0.2229","","","","","","1.031","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053120","7.5861","0.0004","10.2212","0.0006","18.4816","0.0014","100.062","0.006","98.722","0.005","106.368","0.005","1322.86","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H27 N6 O9 P -","- C26 H27 N6 O9 P -","- C52 H54 N12 O18 P2 -","2","1","","Nath, Jayanta K.; Baruah, Jubaraj B.","Water assisted anion chains and anion dependent fluorescence emission in salts of N,N′-bis(3-imidazol-1-ylpropyl)naphthalenediimide","New Journal of Chemistry","2013","37","5","1509","","10.1039/c3nj00034f","","","0.71073","MoKα","","0.0807","0.0572","","","0.1385","0.1555","","","","","","1","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053121","13.7661","0.0005","24.6948","0.0011","8.3773","0.001","90","","105.686","0.005","90","","2741.8","0.4","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H26 Ce N O10 -","- C27 H26 Ce N O10 -","- C108 H104 Ce4 N4 O40 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Metal‒organic coordination polymers with a new 3,5-(4-carboxybenzyloxy) benzoic acid linker","New Journal of Chemistry","2013","37","5","1494","","10.1039/c3nj00054k","","","0.71073","MoKα","","0.0429","0.0344","","","0.0821","0.0856","","","","","","1.092","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053122","13.6593","0.0004","24.5441","0.0011","8.4234","0.0003","90","","105.445","0.003","90","","2722","0.18","110","2","110","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H26 N Nd O10 -","- C27 H26 N Nd O10 -","- C108 H104 N4 Nd4 O40 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Metal‒organic coordination polymers with a new 3,5-(4-carboxybenzyloxy) benzoic acid linker","New Journal of Chemistry","2013","37","5","1494","","10.1039/c3nj00054k","","","0.71073","MoKα","","0.0525","0.0403","","","0.0946","0.1005","","","","","","1.066","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053123","17.8091","0.0004","25.5978","0.0007","5.7377","0.0002","90","","98.1557","0.0012","90","","2589.21","0.13","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Cu2 O9 -","- C23 H15 Cu2 O9 -","- C92 H60 Cu8 O36 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Metal‒organic coordination polymers with a new 3,5-(4-carboxybenzyloxy) benzoic acid linker","New Journal of Chemistry","2013","37","5","1494","","10.1039/c3nj00054k","","","0.71073","MoKα","","0.0474","0.0401","","","0.1101","0.1142","","","","","","1.045","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053124","15.3997","0.0009","15.4635","0.0009","17.2247","0.001","93.145","0.003","114.157","0.002","100.775","0.003","3636.9","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H90 Cd2 N8 O20 -","- C60 H54 Cd2 N4 O16 -","- C120 H108 Cd4 N8 O32 -","2","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Metal‒organic coordination polymers with a new 3,5-(4-carboxybenzyloxy) benzoic acid linker","New Journal of Chemistry","2013","37","5","1494","","10.1039/c3nj00054k","","","0.71073","MoKα","","0.098","0.0683","","","0.1499","0.16","","","","","","1.047","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053125","8.202","0.0003","14.2941","0.0006","15.4384","0.0005","75.737","0.003","88.315","0.003","75.493","0.003","1697.27","0.11","172.9","0.3","172.9","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C33 H39 Cl2 F3 P3 Re -","- C33 H39 Cl2 F3 P3 Re -","- C66 H78 Cl4 F6 P6 Re2 -","2","1","","He, Guomei; Fan, Ting; Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Effects of substituents on the formation of rhenium carbyne and η2-vinyl complexes from the reactions of ReH5(PMe2Ph)3 with terminal alkynes","New Journal of Chemistry","2013","37","6","1823","","10.1039/c3nj00062a","","x-ray","1.5418","CuKα","","0.0312","0.0305","","","0.0745","0.075","","","","","","1.012","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053126","9.4371","0.0002","13.1854","0.0004","13.7827","0.0005","103.898","0.003","93.937","0.002","95.447","0.002","1649.84","0.09","173","0.14","173","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C33 H39 Cl2 F3 P3 Re -","- C33 H39 Cl2 F3 P3 Re -","- C66 H78 Cl4 F6 P6 Re2 -","2","1","","He, Guomei; Fan, Ting; Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Effects of substituents on the formation of rhenium carbyne and η2-vinyl complexes from the reactions of ReH5(PMe2Ph)3 with terminal alkynes","New Journal of Chemistry","2013","37","6","1823","","10.1039/c3nj00062a","","x-ray","1.5418","CuKα","","0.0274","0.027","","","0.0699","0.0702","","","","","","1.005","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053127","10.7952","0.0003","12.6871","0.0004","13.8264","0.0004","90.643","0.003","98.261","0.002","108.65","0.003","1772.3","0.1","173","0.14","173","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C33.25 H40 Cl2 F3 O0.25 P3 Re -","- C33.25 H39 Cl2 F3 O0.25 P3 Re -","- C66.5 H78 Cl4 F6 O0.5 P6 Re2 -","2","1","","He, Guomei; Fan, Ting; Chen, Jiangxi; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Effects of substituents on the formation of rhenium carbyne and η2-vinyl complexes from the reactions of ReH5(PMe2Ph)3 with terminal alkynes","New Journal of Chemistry","2013","37","6","1823","","10.1039/c3nj00062a","","x-ray","1.5418","CuKα","","0.0212","0.0208","","","0.0581","0.0584","","","","","","1.013","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053128","10.619","0.003","5.43","0.002","14.639","0.005","90","","108.69","0.02","90","","799.6","0.5","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C6 H9 N5 O2 -","- C6 H9 N5 O2 -","- C24 H36 N20 O8 -","4","1","","Boland, Yves; Safin, Damir A.; Tinant, Bernard; Babashkina, Maria G.; Marchand-Brynaert, Jacqueline; Garcia, Yann","Routes to novel mono- and bis-tetrazole compounds: synthesis, spectroscopic and structural characterization","New Journal of Chemistry","2013","37","4","1174","","10.1039/c3nj00090g","","","0.71069","MoKα","","0.0433","0.04","","","0.1205","0.1231","","","","","","1.206","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053129","12.849","0.003","5.378","0.002","16.169","0.005","90","","102.5","0.02","90","","1090.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H11 N9 O -","- C7 H11 N9 O -","- C28 H44 N36 O4 -","4","1","","Boland, Yves; Safin, Damir A.; Tinant, Bernard; Babashkina, Maria G.; Marchand-Brynaert, Jacqueline; Garcia, Yann","Routes to novel mono- and bis-tetrazole compounds: synthesis, spectroscopic and structural characterization","New Journal of Chemistry","2013","37","4","1174","","10.1039/c3nj00090g","","","0.71069","MoKα","","0.0494","0.043","","","0.1102","0.1144","","","","","","1.116","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053130","13.8832","0.0005","11.6611","0.0004","30.2445","0.0009","90","","94.113","0.001","90","","4883.8","0.3","100","2","100","2","","","","","","","synthetical product","5","P 1 21/n 1","-P 2yn","14","","(mu2-oxo)-bis(2,4-di-tert-butyl-6-[{[2-(dimethylamino)ethyl]imino}methyl]phe- nolato)-tetraoxo-di-molybdenum(VI) acetonitrile solvate (1:2)","","- C42 H72 Mo2 N6 O7 -","- C42.002 H72.003 Mo2 N6.001 O7 -","- C168.008 H288.012 Mo8 N24.004 O28 -","4","1","","Judmaier, Martina E.; Sala, Chris H.; Belaj, Ferdinand; Volpe, Manuel; Mösch-Zanetti, Nadia C.","Dimeric μ-oxo bridged molybdenum(vi) dioxo complexes as catalysts in the epoxidation of internal and terminal alkenes","New Journal of Chemistry","2013","37","7","2139","","10.1039/c3nj00115f","","","0.71073","MoKα","","0.0322","0.0268","","","0.0657","0.0686","","","","","","1.06","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053131","7.4666","0.0006","14.8332","0.0011","16.7476","0.0012","98.171","0.002","90.647","0.002","92.937","0.002","1833.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H46 Cl4 Mo2 N4 O7 -","- C28 H46 Cl4 Mo2 N4 O7 -","- C56 H92 Cl8 Mo4 N8 O14 -","2","1","","Judmaier, Martina E.; Sala, Chris H.; Belaj, Ferdinand; Volpe, Manuel; Mösch-Zanetti, Nadia C.","Dimeric μ-oxo bridged molybdenum(vi) dioxo complexes as catalysts in the epoxidation of internal and terminal alkenes","New Journal of Chemistry","2013","37","7","2139","","10.1039/c3nj00115f","","","0.71073","MoKα","","0.034","0.0297","","","0.0754","0.079","","","","","","1.071","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053132","8.1437","0.0017","10.197","0.002","12.09","0.003","90","","92.216","0.004","90","","1003.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N5 O2 -","- C8 H11 N5 O2 -","- C32 H44 N20 O8 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Shamshina, Julia L.; Beasley, Preston A.; McCrary, Parker D.; Kelley, Steven P.; Rogers, Robin D.","Azolium azolates from reactions of neutral azoles with 1,3-dimethyl-imidazolium-2-carboxylate, 1,2,3-trimethyl-imidazolium hydrogen carbonate, and N,N-dimethyl-pyrrolidinium hydrogen carbonate","New Journal of Chemistry","2013","37","5","1461","","10.1039/c3nj00147d","","","0.71073","MoKα","","0.0947","0.0581","","","0.1063","0.1187","","","","","","1.09","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053133","6.928","0.0013","8.2326","0.0015","10.864","0.002","74.659","0.003","74.897","0.003","68.18","0.003","545.56","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N10 O4 -","- C18 H26 N10 O4 -","- C18 H26 N10 O4 -","1","0.5","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Shamshina, Julia L.; Beasley, Preston A.; McCrary, Parker D.; Kelley, Steven P.; Rogers, Robin D.","Azolium azolates from reactions of neutral azoles with 1,3-dimethyl-imidazolium-2-carboxylate, 1,2,3-trimethyl-imidazolium hydrogen carbonate, and N,N-dimethyl-pyrrolidinium hydrogen carbonate","New Journal of Chemistry","2013","37","5","1461","","10.1039/c3nj00147d","","","0.71073","MoKα","","0.0749","0.0503","","","0.1204","0.1289","","","","","","1.102","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053134","7.8099","0.0017","12.914","0.003","11.053","0.002","90","","97.967","0.004","90","","1104","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N6 O4 -","- C8 H10 N6 O4 -","- C32 H40 N24 O16 -","4","1","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Shamshina, Julia L.; Beasley, Preston A.; McCrary, Parker D.; Kelley, Steven P.; Rogers, Robin D.","Azolium azolates from reactions of neutral azoles with 1,3-dimethyl-imidazolium-2-carboxylate, 1,2,3-trimethyl-imidazolium hydrogen carbonate, and N,N-dimethyl-pyrrolidinium hydrogen carbonate","New Journal of Chemistry","2013","37","5","1461","","10.1039/c3nj00147d","","","0.71073","MoKα","","0.0769","0.0526","","","0.121","0.1318","","","","","","1.053","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053135","6.4782","0.0006","26.704","0.002","11.0823","0.001","90","","90","","90","","1917.2","0.3","173","2","173","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C7 H10 N6 O2 -","- C7 H10 N6 O2 -","- C56 H80 N48 O16 -","8","","","Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Shamshina, Julia L.; Beasley, Preston A.; McCrary, Parker D.; Kelley, Steven P.; Rogers, Robin D.","Azolium azolates from reactions of neutral azoles with 1,3-dimethyl-imidazolium-2-carboxylate, 1,2,3-trimethyl-imidazolium hydrogen carbonate, and N,N-dimethyl-pyrrolidinium hydrogen carbonate","New Journal of Chemistry","2013","37","5","1461","","10.1039/c3nj00147d","","","0.71073","MoKα","","0.0483","0.0406","","","0.1035","0.1085","","","","","","1.082","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053136","12.0028","0.0004","13.0095","0.0005","20.3429","0.0007","90","","99.216","0.001","90","","3135.55","0.19","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Fe N2 O2.5 -","- C18 H17 Fe N2 O2.5 -","- C144 H136 Fe8 N16 O20 -","8","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0374","0.0285","","","0.0778","0.0833","","","","","","1.042","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053137","13.2738","0.0004","8.4806","0.0002","14.0205","0.0004","90","","114.859","0.001","90","","1432.05","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Fe N2 O -","- C18 H14 Fe N2 O -","- C72 H56 Fe4 N8 O4 -","4","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0284","0.025","","","0.0652","0.0679","","","","","","1.044","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053138","14.1216","0.0004","8.5142","0.0002","13.7245","0.0004","90","","115.626","0.001","90","","1487.84","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Fe N2 S -","- C18 H14 Fe N2 S -","- C72 H56 Fe4 N8 S4 -","4","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0238","0.0213","","","0.0557","0.0577","","","","","","1.046","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053139","10.3361","0.0003","7.9197","0.0002","17.1157","0.0005","90","","98.984","0.001","90","","1383.88","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Fe N O2 -","- C18 H13 Fe N O2 -","- C72 H52 Fe4 N4 O8 -","4","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0287","0.024","","","0.0602","0.0624","","","","","","1.102","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053140","7.3774","0.0003","9.9499","0.0004","10.566","0.0004","87.451","0.001","79.77","0.001","74.67","0.001","736.1","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H13 Fe N S2 -","- C18 H13 Fe N S2 -","- C36 H26 Fe2 N2 S4 -","2","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0363","0.0294","","","0.0756","0.0797","","","","","","1.037","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053141","13.1577","0.0014","8.6907","0.0009","13.8343","0.0016","90","","114.783","0.003","90","","1436.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Fe N O S -","- C18 H13 Fe N O S -","- C72 H52 Fe4 N4 O4 S4 -","4","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.056","0.0461","","","0.1182","0.1298","","","","","","1.075","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053142","16.2896","0.0004","12.4546","0.0003","16.4543","0.0004","90","","111.719","0.001","90","","3101.27","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Fe N3 O2 -","- C18 H17 Fe N3 O2 -","- C144 H136 Fe8 N24 O16 -","8","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0248","0.0224","","","0.0596","0.0612","","","","","","1.041","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053143","11.9743","0.0003","12.3974","0.0003","14.2253","0.0003","90","","92.713","0.001","90","","2109.38","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Fe N5 O2 -","- C23 H25 Fe N5 O2 -","- C92 H100 Fe4 N20 O8 -","4","1","","Tauchman, Jiří; Hladíková, Kateřina; Uhlík, Filip; Císařová, Ivana; Štěpnička, Petr","Synthesis, molecular structure, electrochemistry and DFT study of a ferrocenyl-substituted 4-quinazolinone and related heterocycles","New Journal of Chemistry","2013","37","7","2019","","10.1039/c3nj00182b","","","0.71073","MoKα","","0.0374","0.0287","","","0.0728","0.0774","","","","","","1.026","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053144","7.0459","0.0002","11.048","0.003","15.4564","0.0004","90","","90","","90","","1203.2","0.3","120","2","120.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 N4 O4 -","- C13 H8 N4 O4 -","- C52 H32 N16 O16 -","4","1","","Alkorta, Ibon; Cossío, Fernando P.; Elguero, José; Fresno, Nieves; Hernandez-Folgado, Laura; García-Granda, Santiago; Menéndez-Taboada, Laura; Pérez-Fernández, Ruth; Reviriego, Felipe; Vázquez-Viñuela, Lucia","The reaction of NH-indazoles with 1-fluoro-2,4-dinitrobenzene: the unusual formation of benzotriazole-N-oxides","New Journal of Chemistry","2013","37","8","2384","","10.1039/c3nj00186e","","","1.5418","CuKα","","0.0383","0.0335","","","0.0768","0.0796","","","","","","1.073","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053145","7.073","0.0005","24.084","0.0016","14.3289","0.001","90","","100.633","0.007","90","","2399","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N4 O4 -","- C13 H8 N4 O4 -","- C104 H64 N32 O32 -","8","2","","Alkorta, Ibon; Cossío, Fernando P.; Elguero, José; Fresno, Nieves; Hernandez-Folgado, Laura; García-Granda, Santiago; Menéndez-Taboada, Laura; Pérez-Fernández, Ruth; Reviriego, Felipe; Vázquez-Viñuela, Lucia","The reaction of NH-indazoles with 1-fluoro-2,4-dinitrobenzene: the unusual formation of benzotriazole-N-oxides","New Journal of Chemistry","2013","37","8","2384","","10.1039/c3nj00186e","","","1.5418","CuKα","","0.0822","0.0469","","","0.0934","0.1085","","","","","","0.984","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053146","7.2107","0.0006","24.0635","0.0017","14.4077","0.0011","90","","100.334","0.017","90","","2459.4","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N4 O4 -","- C13 H8 N4 O4 -","- C104 H64 N32 O32 -","8","2","","Alkorta, Ibon; Cossío, Fernando P.; Elguero, José; Fresno, Nieves; Hernandez-Folgado, Laura; García-Granda, Santiago; Menéndez-Taboada, Laura; Pérez-Fernández, Ruth; Reviriego, Felipe; Vázquez-Viñuela, Lucia","The reaction of NH-indazoles with 1-fluoro-2,4-dinitrobenzene: the unusual formation of benzotriazole-N-oxides","New Journal of Chemistry","2013","37","8","2384","","10.1039/c3nj00186e","","","1.5418","CuKα","","0.1325","0.0599","","","0.1241","0.1709","","","","","","0.998","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053147","13.0325","0.0006","15.3958","0.0015","6.1563","0.0003","90","","99.558","0.005","90","","1218.09","0.15","293","0.2","293","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N4 O4 -","- C13 H8 N4 O4 -","- C52 H32 N16 O16 -","4","1","","Alkorta, Ibon; Cossío, Fernando P.; Elguero, José; Fresno, Nieves; Hernandez-Folgado, Laura; García-Granda, Santiago; Menéndez-Taboada, Laura; Pérez-Fernández, Ruth; Reviriego, Felipe; Vázquez-Viñuela, Lucia","The reaction of NH-indazoles with 1-fluoro-2,4-dinitrobenzene: the unusual formation of benzotriazole-N-oxides","New Journal of Chemistry","2013","37","8","2384","","10.1039/c3nj00186e","","","1.5418","CuKα","","0.0676","0.0439","","","0.1028","0.1171","","","","","","1.048","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053148","10.3941","0.0005","19.4479","0.001","19.9677","0.0009","90","","91.96","0.004","90","","4034","0.3","119.9","0.6","119.9","0.6","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H22 N3 -","- C74.012 H22 N3 -","- C296.048 H88 N12 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Structure and magnetic properties of the ionic fullerene salt (TMP+)·(C60˙−)·C6H5CN containing layers of monomeric C60˙− radical anions","New Journal of Chemistry","2013","37","8","2521","","10.1039/c3nj00189j","","","0.7107","MoKα","","0.0587","0.0451","","","0.1077","0.1178","","","","","","1.033","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053149","22.8309","0.0009","19.3871","0.0007","28.4509","0.0009","90","","105.634","0.004","90","","12127.2","0.8","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H22 N3 -","- C73.9999 H22 N3 -","- C887.999 H264 N36 -","12","3","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Structure and magnetic properties of the ionic fullerene salt (TMP+)·(C60˙−)·C6H5CN containing layers of monomeric C60˙− radical anions","New Journal of Chemistry","2013","37","8","2521","","10.1039/c3nj00189j","","","0.7107","MoKα","","0.0841","0.0587","","","0.1626","0.1767","","","","","","1.072","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053150","15.0911","0.0014","16.7006","0.0016","24.236","0.002","90","","90","","90","","6108.2","1","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H62 Co6 N8 O31 -","- C30 H24 Co6 N4 O22 -","- C120 H96 Co24 N16 O88 -","4","1","","Li, Zongze; Du, Lin; Zhou, Jie; Li, Lin; Hu, Yan; Qiao, Yongfeng; Xie, Mingjin; Zhao, Qihua","A chiral porous cobalt‒organic framework based on reinforced sinusoidal-like SBUs involving in situ-generated formate","New Journal of Chemistry","2013","37","8","2473","","10.1039/c3nj00236e","","","0.71073","MoKα","","0.0763","0.0481","","","0.0721","0.078","","","","","","0.933","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053151","6.307","0.001","12.611","0.002","10.4919","0.0017","90","","91.227","0.002","90","","834.3","0.2","298","2","298","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C15 H15 Co N3 O5 -","- C15 H15 Co N3 O5 -","- C30 H30 Co2 N6 O10 -","2","1","","Li, Zongze; Du, Lin; Zhou, Jie; Li, Lin; Hu, Yan; Qiao, Yongfeng; Xie, Mingjin; Zhao, Qihua","A chiral porous cobalt‒organic framework based on reinforced sinusoidal-like SBUs involving in situ-generated formate","New Journal of Chemistry","2013","37","8","2473","","10.1039/c3nj00236e","","","0.71073","MoKα","","0.0601","0.0514","","","0.1363","0.1419","","","","","","1.013","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053152","11.7071","0.0002","15.649","0.0003","15.7529","0.0011","90","","99.715","0.007","90","","2844.6","0.2","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 Cl N2 Ni O2 -","- C34 H31 Cl N2 Ni O2 -","- C136 H124 Cl4 N8 Ni4 O8 -","4","1","","Luca, Oana R.; Huang, Daria L.; Takase, Michael K.; Crabtree, Robert H.","Redox-active cyclopentadienyl Ni complexes with quinoid N-heterocyclic carbene ligands for the electrocatalytic hydrogen release from chemical fuels","New Journal of Chemistry","2013","37","11","3402","","10.1039/c3nj00276d","","","1.54187","CuKα","","0.0732","0.0603","","","0.1592","0.1732","","","","","","1.136","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053153","8.0943","0.0004","8.7229","0.0004","10.6687","0.0005","99.129","0.003","90.439","0.003","114.943","0.002","672.02","0.06","296","2","296","2","","","","","","","","2","P -1","-P 1","2","4,4'-dipyrenyl-biphenyl ?","","","- C44 H26 -","- C44 H26 -","- C44 H26 -","1","0.5","","Kwon, Jongchul; Hong, Jung-Pyo; Lee, Seonghoon; Hong, Jong-In","4,4′-Di(pyren-1-yl)-1,1′-biphenyl as an efficient material for organic light-emitting diodes and thin-film transistors","New Journal of Chemistry","2013","37","9","2881","","10.1039/c3nj00295k","","","0.71073","MoKα","","0.0849","0.0753","","","0.1927","0.2041","","","","","","1.014","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053154","7.7658","0.0002","10.8456","0.0003","27.334","0.0008","90","","93.128","0.001","90","","2298.77","0.11","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl F6 N3 P Rh S -","- C20 H22 Cl F6 N3 P Rh S -","- C80 H88 Cl4 F24 N12 P4 Rh4 S4 -","4","1","","Gupta, Gajendra; Sharma, Gunjan; Koch, Biplob; Park, Sunhong; Lee, Shim Sung; Kim, Jinkwon","Syntheses, characterization and molecular structures of novel Ru(ii), Rh(iii) and Ir(iii) complexes and their possible roles as antitumour and cytotoxic agents","New Journal of Chemistry","2013","37","8","2573","","10.1039/c3nj00315a","","","0.71073","MoKα","","0.0348","0.0307","","","0.0806","0.083","","","","","","1.056","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053155","8.879","0.0003","12.4284","0.0004","12.9718","0.0004","86.465","0.002","79.783","0.002","88.566","0.002","1405.94","0.08","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H27 Cl3 F6 N5 O0 P Rh -","- C23 H27 Cl3 F6 N5 P Rh -","- C46 H54 Cl6 F12 N10 P2 Rh2 -","2","1","","Gupta, Gajendra; Sharma, Gunjan; Koch, Biplob; Park, Sunhong; Lee, Shim Sung; Kim, Jinkwon","Syntheses, characterization and molecular structures of novel Ru(ii), Rh(iii) and Ir(iii) complexes and their possible roles as antitumour and cytotoxic agents","New Journal of Chemistry","2013","37","8","2573","","10.1039/c3nj00315a","","","0.71073","MoKα","","0.0514","0.0474","","","0.1376","0.1423","","","","","","1.083","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053156","8.3861","0.0004","18.9328","0.0009","11.7032","0.0006","90","","95.681","0.002","90","","1849.02","0.16","172","2","172","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl F6 N3 P Ru S -","- C16 H13 Cl F6 N3 P Ru S -","- C64 H52 Cl4 F24 N12 P4 Ru4 S4 -","4","1","","Gupta, Gajendra; Sharma, Gunjan; Koch, Biplob; Park, Sunhong; Lee, Shim Sung; Kim, Jinkwon","Syntheses, characterization and molecular structures of novel Ru(ii), Rh(iii) and Ir(iii) complexes and their possible roles as antitumour and cytotoxic agents","New Journal of Chemistry","2013","37","8","2573","","10.1039/c3nj00315a","","","0.71073","MoKα","","0.0386","0.0326","","","0.0752","0.0786","","","","","","1.044","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053157","7.668","0.005","8.251","0.005","8.861","0.005","111.221","0.007","93.978","0.008","108.043","0.007","486.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cu2 N8 S4 -","- C14 H16 Cu2 N8 S4 -","- C14 H16 Cu2 N8 S4 -","1","0.5","","Gil-García, Rubén; Fraile, Roberto; Donnadieu, Bruno; Madariaga, Gotzon; Januskaitis, Vaidas; Rovira, Jordi; González, Lucía; Borrás, Joaquín; Arnáiz, Francisco Javier; García-Tojal, Javier","Desulfurization processes of thiosemicarbazonecopper(ii) derivatives in acidic and basic aqueous media","New Journal of Chemistry","2013","37","11","3568","","10.1039/c3nj00321c","","","0.71073","MoKα","","0.0818","0.0554","","","","0.1347","","","","","","1.039","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053158","10.968","0.004","16.018","0.006","9.462","0.003","90","","110.91","0.03","90","","1552.9","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cl2 Cu3 N10 O4 S2 -","- C26 H22 Cl2 Cu3 N10 O4 S2 -","- C52 H44 Cl4 Cu6 N20 O8 S4 -","2","0.5","","Gil-García, Rubén; Fraile, Roberto; Donnadieu, Bruno; Madariaga, Gotzon; Januskaitis, Vaidas; Rovira, Jordi; González, Lucía; Borrás, Joaquín; Arnáiz, Francisco Javier; García-Tojal, Javier","Desulfurization processes of thiosemicarbazonecopper(ii) derivatives in acidic and basic aqueous media","New Journal of Chemistry","2013","37","11","3568","","10.1039/c3nj00321c","","","0.71073","MoKα","","0.2246","0.0463","","","","0.1087","","","","","","0.669","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053159","11.663","0.003","28.967","0.009","11.259","0.004","90","","109.92","0.02","90","","3576","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 Cu N5 O5 S -","- C13 H17 Cu N5 O5 S -","- C104 H136 Cu8 N40 O40 S8 -","8","1","","Gil-García, Rubén; Fraile, Roberto; Donnadieu, Bruno; Madariaga, Gotzon; Januskaitis, Vaidas; Rovira, Jordi; González, Lucía; Borrás, Joaquín; Arnáiz, Francisco Javier; García-Tojal, Javier","Desulfurization processes of thiosemicarbazonecopper(ii) derivatives in acidic and basic aqueous media","New Journal of Chemistry","2013","37","11","3568","","10.1039/c3nj00321c","","","0.71069","MoKα","","0.3381","0.0589","","","","0.1494","","","","","","0.572","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053160","10.133","0.009","20.184","0.007","13.385","0.006","90","","105.16","0.08","90","","2642","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cu N6 O3 S2 -","- C8 H8 Cu N6 O3 S2 -","- C64 H64 Cu8 N48 O24 S16 -","8","2","","Gil-García, Rubén; Fraile, Roberto; Donnadieu, Bruno; Madariaga, Gotzon; Januskaitis, Vaidas; Rovira, Jordi; González, Lucía; Borrás, Joaquín; Arnáiz, Francisco Javier; García-Tojal, Javier","Desulfurization processes of thiosemicarbazonecopper(ii) derivatives in acidic and basic aqueous media","New Journal of Chemistry","2013","37","11","3568","","10.1039/c3nj00321c","","","0.71069","MoKα","","0.3127","0.0466","","","","0.1184","","","","","","0.581","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053161","10.164","0.002","20.143","0.008","13.375","0.004","90","","105.39","0.03","90","","2640.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15.72 H16 Cu2 N12 O6.83 S3.72 -","- C15.722 H16 Cu2 N12 O6.834 S3.722 -","- C62.888 H64 Cu8 N48 O27.336 S14.888 -","4","1","","Gil-García, Rubén; Fraile, Roberto; Donnadieu, Bruno; Madariaga, Gotzon; Januskaitis, Vaidas; Rovira, Jordi; González, Lucía; Borrás, Joaquín; Arnáiz, Francisco Javier; García-Tojal, Javier","Desulfurization processes of thiosemicarbazonecopper(ii) derivatives in acidic and basic aqueous media","New Journal of Chemistry","2013","37","11","3568","","10.1039/c3nj00321c","","","0.71069","MoKα","","0.123","0.0352","","","","0.0715","","","","","","0.745","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053162","6.0132","0.0013","14.588","0.004","22.279","0.005","90","","95.358","0.005","90","","1945.8","0.8","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H28 Fe N O3 -","- C21 H28 Fe N O3 -","- C84 H112 Fe4 N4 O12 -","4","1","","Nakatsuji, Shin'ichi; Fujiwara, Kazuya; Akutsu, Hiroki; Yamada, Jun-ichi; Satoh, Masaharu","Structures and properties of ferrocene derivatives with different kinds of nitroxide radicals","New Journal of Chemistry","2013","37","8","2468","","10.1039/c3nj00343d","","","0.71075","MoKα","","","0.0636","","","","0.1962","","","","","","1.08","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053163","10.761","0.0007","11.9388","0.0015","15.1774","0.0003","90","","105.66","0.0005","90","","1877.5","0.3","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Fe N O3 -","- C20 H26 Fe N O3 -","- C80 H104 Fe4 N4 O12 -","4","1","","Nakatsuji, Shin'ichi; Fujiwara, Kazuya; Akutsu, Hiroki; Yamada, Jun-ichi; Satoh, Masaharu","Structures and properties of ferrocene derivatives with different kinds of nitroxide radicals","New Journal of Chemistry","2013","37","8","2468","","10.1039/c3nj00343d","","","0.71069","MoKα","","","0.0639","","","","0.1715","","","","","","1.102","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053164","21.162","0.006","8.427","0.003","10.717","0.003","90","","91.718","0.007","90","","1910.3","1","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Fe N O3 -","- C20 H24 Fe N O3 -","- C80 H96 Fe4 N4 O12 -","4","1","","Nakatsuji, Shin'ichi; Fujiwara, Kazuya; Akutsu, Hiroki; Yamada, Jun-ichi; Satoh, Masaharu","Structures and properties of ferrocene derivatives with different kinds of nitroxide radicals","New Journal of Chemistry","2013","37","8","2468","","10.1039/c3nj00343d","","","0.71075","MoKα","","","0.0548","","","","0.1857","","","","","","0.962","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053165","11.6","0.0002","16.6558","0.0003","35.0297","0.0007","90","","90","","90","","6768","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H100 Cu3 N6 O23 -","- C54 H78 Cu3 N6 O23 -","- C216 H312 Cu12 N24 O92 -","4","1","","Tanaka, Koichi; Asakura, Azusa; Muraoka, Toshihide; Kalicki, Przemysław; Urbanczyk-Lipkowska, Zofia","Asymmetric direct aldol reactions catalyzed by chiral amine macrocycle‒metal(ii) complexes under solvent-free conditions","New Journal of Chemistry","2013","37","9","2851","","10.1039/c3nj00361b","","","0.7107","MoKα","","0.0632","0.0561","","","0.153","0.1607","","","","","","1.162","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053166","8.0751","0.0003","25.4734","0.0008","14.7742","0.0005","90","","111.606","0.003","90","","2825.53","0.18","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 Cl N4 O2 Ru -","- C31 H31 Cl N4 O2 Ru -","- C124 H124 Cl4 N16 O8 Ru4 -","4","1","","Garza-Ortiz, Ariadna; Uma Maheswari, Palanisamy; Siegler, Maxime; Spek, Anthony L.; Reedijk, Jan","A new family of Ru(ii) complexes with a tridentate pyridine Schiff-base ligand and bidentate co-ligands: synthesis, characterization, structure and in vitro cytotoxicity studies","New Journal of Chemistry","2013","37","11","3450","","10.1039/c3nj00415e","","","0.71073","MoKα","","0.0342","0.0229","","","0.0498","0.0539","","","","","","1.039","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053167","12.7069","0.0013","11.0731","0.0008","20.3584","0.0016","90","","101.572","0.005","90","","2806.3","0.4","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 N Ru -","- C15 H23 N Ru -","- C120 H184 N8 Ru8 -","8","1","","Hirano, Masafumi; Inoue, Haruka; Okamoto, Takuya; Ueda, Takao; Komine, Nobuyuki; Komiya, Sanshiro; Wang, Xian-qi; Bennett, Martin A.","Cross-dimerisation between different cisoid- and transoid-1,3-dienes at a ruthenium(0) centre","New Journal of Chemistry","2013","37","11","3433","","10.1039/c3nj00429e","","","0.71075","MoKα","","","0.1056","","","","0.2931","","","","","","1.29","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053168","8.852","0.006","14.382","0.009","24.096","0.014","90","","90","","90","","3068","3","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H28 Ru -","- C18 H28 Ru -","- C144 H224 Ru8 -","8","1","","Hirano, Masafumi; Inoue, Haruka; Okamoto, Takuya; Ueda, Takao; Komine, Nobuyuki; Komiya, Sanshiro; Wang, Xian-qi; Bennett, Martin A.","Cross-dimerisation between different cisoid- and transoid-1,3-dienes at a ruthenium(0) centre","New Journal of Chemistry","2013","37","11","3433","","10.1039/c3nj00429e","","","0.71075","MoKa","","","0.0353","","","","0.0849","","","","","","1.066","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053169","5.6471","0.0007","20.606","0.004","9.0626","0.0013","90","","103.672","0.012","90","","1024.7","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H19 N O2 -","- C8 H19 N O2 -","- C32 H76 N4 O8 -","4","1","","McCrary, Parker D.; Beasley, Preston A.; Gurau, Gabriela; Narita, Asako; Barber, Patrick S.; Cojocaru, O. Andreea; Rogers, Robin D.","Drug specific, tuning of an ionic liquid's hydrophilic‒lipophilic balance to improve water solubility of poorly soluble active pharmaceutical ingredients","New Journal of Chemistry","2013","37","7","2196","","10.1039/c3nj00454f","","","0.71073","MoKα","","0.122","0.0552","","","0.1237","0.1483","","","","","","0.996","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053170","5.4838","0.0008","26.117","0.004","8.228","0.0012","90","","100.331","0.005","90","","1159.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H23 N O2 -","- C10 H23 N O2 -","- C40 H92 N4 O8 -","4","1","","McCrary, Parker D.; Beasley, Preston A.; Gurau, Gabriela; Narita, Asako; Barber, Patrick S.; Cojocaru, O. Andreea; Rogers, Robin D.","Drug specific, tuning of an ionic liquid's hydrophilic‒lipophilic balance to improve water solubility of poorly soluble active pharmaceutical ingredients","New Journal of Chemistry","2013","37","7","2196","","10.1039/c3nj00454f","","","0.71073","MoKα","","0.0614","0.0406","","","0.1108","0.1276","","","","","","1.014","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053171","13.2365","0.0013","19.4764","0.0019","17.2337","0.0015","90","","94.607","0.011","90","","4428.5","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Cl3 F9 Ru2 S3 -","- C42 H42 Cl3 F9 Ru2 S3 -","- C168 H168 Cl12 F36 Ru8 S12 -","4","1","","Giannini, Federico; Paul, Lydia E. H.; Furrer, Julien; Therrien, Bruno; Süss-Fink, Georg","Highly cytotoxic diruthenium trithiolato complexes of the type [(η6-p-MeC6H4Pri)2Ru2(μ2-SR)3]+: synthesis, characterization, molecular structure and in vitro anticancer activity","New Journal of Chemistry","2013","37","11","3503","","10.1039/c3nj00476g","","","0.71073","MoKα","","0.0911","0.0472","","","0.1129","0.1255","","","","","","0.844","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053172","13.2082","0.0005","13.1769","0.0004","28.5766","0.0009","90","","92.029","0.003","90","","4970.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 Cl13 Ru2 S3 -","- C40 H39 Cl13 Ru2 S3 -","- C160 H156 Cl52 Ru8 S12 -","4","1","","Giannini, Federico; Paul, Lydia E. H.; Furrer, Julien; Therrien, Bruno; Süss-Fink, Georg","Highly cytotoxic diruthenium trithiolato complexes of the type [(η6-p-MeC6H4Pri)2Ru2(μ2-SR)3]+: synthesis, characterization, molecular structure and in vitro anticancer activity","New Journal of Chemistry","2013","37","11","3503","","10.1039/c3nj00476g","","","0.71073","MoKα","","0.1153","0.0699","","","0.0898","0.0991","","","","","","1.096","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053173","15.53","0.005","16.537","0.006","11.752","0.005","90","","123.003","0.001","90","","2531.1","1.6","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 N12 O16 Zr -","- C12 H24 N12 O16 Zr -","- C48 H96 N48 O64 Zr4 -","4","0.5","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.0308","0.0255","","0.035","0.0286","0.0281","","","","","","1.0601","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053174","37.6265","0.0011","7.2895","0.0002","12.4055","0.0004","90","","90","","90","","3402.56","0.18","180","","180","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H34 N12 O21 Zr -","- C20 H34 N12 O21 Zr -","- C80 H136 N48 O84 Zr4 -","4","1","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.0376","0.0296","","0.0346","0.0316","0.0309","","","","","","1.0823","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053175","10.6469","0.0003","10.67004","0.00017","17.8637","0.0003","84.199","0.0013","75.9687","0.0018","60.221","0.002","1708.38","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H41 N12 O16.5 Zr -","- C20 H40 N12 O16.5 Zr -","- C40 H80 N24 O33 Zr2 -","2","1","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.1183","0.1146","","0.119","0.1164","0.1159","","","","","","0.9494","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053176","22.437","0.008","24.63","0.007","14.141","0.008","90","","90","","90","","7815","6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H35 N12 O17.5 Zr -","- C28 H32 N12 O17.5 Zr -","- C224 H256 N96 O140 Zr8 -","8","1","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.1502","0.1099","","","0.3252","0.3678","","","","","","1.409","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053177","15.6524","0.0004","17.6491","0.0004","19.7828","0.0005","96.198","0.001","101.315","0.001","115.121","0.001","4738","0.2","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H35.7 Cl8 N12 O21.85 Zr -","- C28 H24 Cl8 N12 O21.85 Zr -","- C112 H96 Cl32 N48 O87.4 Zr4 -","4","2","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.1148","0.0604","","0.1116","0.0606","0.0565","","","","","","1.0744","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053178","17.4105","0.0004","20.2998","0.0005","13.9896","0.0004","90","","111.033","0.003","90","","4614.9","0.2","180","","180","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl8 N12 O17 Zr -","- C36 H26 Cl8 N12 O17 Zr -","- C144 H104 Cl32 N48 O68 Zr4 -","4","1","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.0534","0.0258","","0.0369","0.0273","0.0255","","","","","","1.1048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053179","10.3719","0.0007","21.7887","0.0015","17.3292","0.0012","90","","90","","90","","3916.2","0.5","180","","180","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C30 H36 K2 N6 O20 Zr -","- C30 H32 K2 N6 O20 Zr -","- C120 H128 K8 N24 O80 Zr4 -","4","0.5","","Mouchaham, Georges; Roques, Nans; Duhayon, Carine; Imaz, Inhar; Sutter, Jean-Pascal","Extended H-bond networks based on guanidinium H-donors and [Zr(A)4]4− H-acceptor units: modulation of the assemblage and guest accessible volume by chemical design (A = oxalate, dihydrobenzoquinonate, chloranilate)","New Journal of Chemistry","2013","37","11","3476","","10.1039/c3nj00520h","","","0.71073","MoKα","","0.0732","0.0478","","0.0723","0.0544","0.053","","","","","","1.0525","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053180","8.7","0.0017","11.397","0.002","14.164","0.003","90","","92.5","0.03","90","","1403.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H3 N7 O10 -","- C9 H3 N7 O10 -","- C36 H12 N28 O40 -","4","1","","Hou, Kehui; Ma, Congming; Liu, Zuliang","Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole","New Journal of Chemistry","2013","37","9","2837","","10.1039/c3nj00521f","","","0.71073","MoKα","","0.0766","0.0508","","","0.1398","0.1583","","","","","","1.004","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053181","9.083","0.0018","11.395","0.002","14.089","0.003","90","","99.23","0.03","90","","1439.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 N9 O10 -","- C9 H5 N9 O10 -","- C36 H20 N36 O40 -","4","1","","Hou, Kehui; Ma, Congming; Liu, Zuliang","Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole","New Journal of Chemistry","2013","37","9","2837","","10.1039/c3nj00521f","","","0.71073","MoKα","","0.0871","0.0505","","","0.1081","0.1217","","","","","","1.001","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053182","8.237","0.0016","12.791","0.003","12.916","0.003","90","","90","","90","","1360.8","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H3 N7 O10 -","- C9 H3 N7 O10 -","- C36 H12 N28 O40 -","4","1","","Hou, Kehui; Ma, Congming; Liu, Zuliang","Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole","New Journal of Chemistry","2013","37","9","2837","","10.1039/c3nj00521f","","","0.71073","MoKα","","0.0808","0.0608","","","0.1465","0.1594","","","","","","1.002","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053183","8.4941","0.0007","12.7651","0.001","13.3699","0.0012","90","","90","","90","","1449.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H4 N8 O10 -","- C9 H4 N8 O10 -","- C36 H16 N32 O40 -","4","1","","Hou, Kehui; Ma, Congming; Liu, Zuliang","Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole","New Journal of Chemistry","2013","37","9","2837","","10.1039/c3nj00521f","","","0.71073","MoKα","","0.1468","0.078","","","0.1453","0.1809","","","","","","1.044","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053184","9.158","0.0018","12.318","0.003","12.862","0.003","90","","90","","90","","1450.9","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H5 N9 O10 -","- C9 H5 N9 O10 -","- C36 H20 N36 O40 -","4","1","","Hou, Kehui; Ma, Congming; Liu, Zuliang","Synthesis, single crystal structure and performance of N-substituted derivatives of dinitroimidazole","New Journal of Chemistry","2013","37","9","2837","","10.1039/c3nj00521f","","","0.71073","MoKα","","0.0823","0.0535","","","0.1381","0.1575","","","","","","1.003","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053185","17.2568","0.0006","29.2556","0.0013","15.1819","0.0005","90","","100.457","0.003","90","","7537.4","0.5","180","2","180","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C74 H59 F18 N10 O2 P5 Ru2 -","- C74 H59 F18 N10 O2 P5 Ru2 -","- C296 H236 F72 N40 O8 P20 Ru8 -","4","0.5","","Sylvain, Rémy; Vendier, Laure; Bijani, Christian; Santoro, Antonio; Puntoriero, Fausto; Campagna, Sebastiano; Sutra, Pierre; Igau, Alain","Evidence of the unprecedented conversion of intermolecular proton to water bridging of two phosphoryl ruthenium complexes","New Journal of Chemistry","2013","37","11","3543","","10.1039/c3nj00522d","","x-ray","1.5418","CuKα","","0.0866","0.0681","","","0.19","0.2074","","","","","","1.051","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053186","28.4278","0.0006","28.4278","0.0006","17.0604","0.0004","90","","90","","90","","13787.2","0.5","100","2","100","2","","","","","","","synthesis as described","7","I 41 c d","I 4bw -2c","110","","","","- C37 H30 F6 N5 O1.5 P2 Ru -","- C37 H30 F6 N5 O1.5 P2 Ru -","- C592 H480 F96 N80 O24 P32 Ru16 -","16","1","","Sylvain, Rémy; Vendier, Laure; Bijani, Christian; Santoro, Antonio; Puntoriero, Fausto; Campagna, Sebastiano; Sutra, Pierre; Igau, Alain","Evidence of the unprecedented conversion of intermolecular proton to water bridging of two phosphoryl ruthenium complexes","New Journal of Chemistry","2013","37","11","3543","","10.1039/c3nj00522d","","","0.71073","MoKα","","0.0195","0.0163","","","0.0349","0.036","","","","","","1.056","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7053187","11.9672","0.0003","18.6128","0.0004","24.142","0.0005","90","","96.754","0.002","90","","5340.1","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H42 Mo12 N3 O40 P -","- C27 H42 Mo12 N3 O40 P -","- C108 H168 Mo48 N12 O160 P4 -","4","1","","Guérin, Béatrice; Fernandes, Daniel Mesquita; Daran, Jean-Claude; Agustin, Dominique; Poli, Rinaldo","Investigation of induction times, activity, selectivity, interface and mass transport in solvent-free epoxidation by H2O2 and TBHP: a study with organic salts of the [PMo12O40]3− anion","New Journal of Chemistry","2013","37","11","3466","","10.1039/c3nj00523b","","","0.71073","MoKα","","0.0362","0.0311","","","0.0653","0.0676","","","","","","1.156","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053188","13.161","0.002","13.007","0.002","23.346","0.004","90","","100.685","0.002","90","","3927.2","1.1","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N16 O11 -","- C10 H10 N16 O11 -","- C80 H80 N128 O88 -","8","2","","Dong, Kai; Wang, Yuan; Gong, Xu-Bin; Zhang, Jing; Sun, Cheng-Hui; Pang, Si-Ping","Formyl azido substituted nitro hexaazaisowurtzitane ‒ synthesis, characterization and energetic properties","New Journal of Chemistry","2013","37","11","3685","","10.1039/c3nj00532a","","","0.71073","MoKα","","0.0826","0.0694","","","0.1514","0.1614","","","","","","1.001","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053189","16.2048","0.0005","12.3116","0.0004","19.4697","0.0006","90","","90","","90","","3884.3","0.2","180","2","180","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Cl2 F6 N4 O P Ru -","- C15 H11 Cl2 F6 N4 O P Ru -","- C120 H88 Cl16 F48 N32 O8 P8 Ru8 -","8","1","","Akl, Joëlle; Billot, Chelmia; Lacroix, Pascal G.; Sasaki, Isabelle; Mallet-Ladeira, Sonia; Malfant, Isabelle; Arcos-Ramos, Rafael; Romero, Margarita; Farfán, Norberto","Molecular materials for switchable nonlinear optics in the solid state, based on ruthenium-nitrosyl complexes","New Journal of Chemistry","2013","37","11","3518","","10.1039/c3nj00558e","","x-ray","0.71073","MoKα","","0.0438","0.0313","","","0.0727","0.0814","","","","","","1.064","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053190","25.538","0.0016","15.5011","0.0009","14.6239","0.0009","90","","90","","90","","5789.1","0.6","180","2","180","2","","","","","","","synthesis as described","8","P b c n","-P 2n 2ab","60","","","","- C25 H24 Cl2 F6 N5 O2 P Ru -","- C25 H24 Cl2 F6 N5 O2 P Ru -","- C200 H192 Cl16 F48 N40 O16 P8 Ru8 -","8","1","","Akl, Joëlle; Billot, Chelmia; Lacroix, Pascal G.; Sasaki, Isabelle; Mallet-Ladeira, Sonia; Malfant, Isabelle; Arcos-Ramos, Rafael; Romero, Margarita; Farfán, Norberto","Molecular materials for switchable nonlinear optics in the solid state, based on ruthenium-nitrosyl complexes","New Journal of Chemistry","2013","37","11","3518","","10.1039/c3nj00558e","","x-ray","0.71073","MoKα","","0.1029","0.0562","","","0.142","0.1741","","","","","","1.038","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053191","6.5426","0.0004","10.6326","0.0006","12.1705","0.0007","77.018","0.002","74.588","0.002","87.095","0.002","795.3","0.08","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","1","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.0624","0.0492","","","0.125","0.134","","","","","","1.038","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053192","6.5431","0.0004","10.6318","0.0006","12.1564","0.0007","76.976","0.003","74.585","0.003","86.92","0.003","794.25","0.08","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","- C40 H38 N4 O2 -","1","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.0806","0.057","","","0.1376","0.1524","","","","","","1.01","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053193","6.6076","0.0009","10.4384","0.0016","14.81","0.002","81.361","0.004","80.936","0.005","76.921","0.005","975.6","0.2","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","1","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.1556","0.0666","","","0.1306","0.1755","","","","","","1.006","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053194","6.6001","0.0001","10.4252","0.0002","14.7935","0.0002","81.367","0.001","80.888","0.001","76.888","0.001","971.93","0.03","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","- C50 H44 N6 O2 -","1","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.053","0.0433","","","0.0972","0.103","","","","","","0.966","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053195","34.3268","0.001","14.1957","0.0003","21.8632","0.0005","90","","112.382","0.002","90","","9851.2","0.4","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C53 H55 N7 O6 Zn -","- C50 H42 N6 O2 Zn -","- C400 H336 N48 O16 Zn8 -","8","2","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.1356","0.0721","","","0.2011","0.2225","","","","","","1.047","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053196","10.7983","0.0011","19.3351","0.0019","13.5576","0.0013","90","","96.192","0.004","90","","2814.1","0.5","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H45 Cl9 N6 O2 Zn -","- C57 H45 Cl9 N6 O2 Zn -","- C114 H90 Cl18 N12 O4 Zn2 -","2","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.1532","0.0951","","","0.263","0.308","","","","","","1.05","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053197","10.7272","0.0004","19.2135","0.0007","13.6582","0.0005","90","","95.605","0.002","90","","2801.59","0.18","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56.5 H44.5 Cl7.5 N6 O2 Zn -","- C56.5 H44.5 Cl7.5 N6 O2 Zn -","- C113 H89 Cl15 N12 O4 Zn2 -","2","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.1317","0.0883","","","0.2441","0.2842","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7053198","10.9454","0.0003","17.1422","0.0006","11.7118","0.0004","90","","99.639","0.002","90","","2166.44","0.12","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H42 N6 O2 Zn -","- C54 H42 N6 O2 Zn -","- C108 H84 N12 O4 Zn2 -","2","1","","Marets, N.; Bulach, V.; Hosseini, M. W.","Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units","New Journal of Chemistry","2013","37","11","3549","","10.1039/c3nj00591g","","","0.71073","MoKα","","0.0685","0.0472","","","0.1129","0.1236","","","","","","1.033","","","","has coordinates","180085","2020-10-21","18:00:00",""
"7053199","8.585","0.002","12.347","0.003","17.326","0.004","85.325","0.004","89.305","0.004","87.573","0.004","1828.7","0.7","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H44 Cu N6 O6 S2 -","- C32 H44 Cu N6 O6 S2 -","- C64 H88 Cu2 N12 O12 S4 -","2","1","","Saeed, Sohail; Rashid, Naghmana; Hussain, Rizwan; Malik, Muhammad Azad; O'Brien, Paul; Wong, Wing-Tak","Semiconducting nanostructured copper sulfide thin films from bidentate copper(ii) complexes of N-(dialkylcarbamothioyl)-nitrosubstituted benzamides by chemical vapour deposition","New Journal of Chemistry","2013","37","10","3214","","10.1039/c3nj00668a","","","0.71073","MoKα","","0.074","0.0486","","","0.108","0.1185","","","","","","1.054","","","","has coordinates,has disorder","180085","2020-10-21","18:00:00",""
"7053200","9.9473","0.0005","12.27","0.0008","21.0254","0.001","76.7","0.001","79.222","0.001","66.301","0.001","2273.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H49 Mo8 N7 O26 -","- C24 H49 Mo8 N7 O26 -","- C48 H98 Mo16 N14 O52 -","2","1","","Linguito, Stephen L.; Zhang, Xiao; Padmanabhan, Moothetty; Biradar, Ankush V.; Xu, Taotao; Emge, Thomas J.; Asefa, Tewodros; Li, Jing","New polyoxomolybdate compounds synthesized in situ using ionic liquid 1-butyl-3-methyl-imidazolium tetrafluoroborate as green solvent","New Journal of Chemistry","2013","37","9","2894","","10.1039/c3nj00669g","","","0.71073","MoKα","","0.0531","0.0372","","","0.0662","0.0711","","","","","","1.007","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053201","13.159","0.003","16.952","0.003","14.383","0.003","90","","91.45","0.03","90","","3207.4","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H60 Mo12 N8 O40 P -","- C32 H60 Mo12 N8 O40 P -","- C64 H120 Mo24 N16 O80 P2 -","2","0.5","","Linguito, Stephen L.; Zhang, Xiao; Padmanabhan, Moothetty; Biradar, Ankush V.; Xu, Taotao; Emge, Thomas J.; Asefa, Tewodros; Li, Jing","New polyoxomolybdate compounds synthesized in situ using ionic liquid 1-butyl-3-methyl-imidazolium tetrafluoroborate as green solvent","New Journal of Chemistry","2013","37","9","2894","","10.1039/c3nj00669g","","","0.71073","MoKα","","0.038","0.0292","","","0.0688","0.0724","","","","","","1.024","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053202","12.8716","0.0006","21.1033","0.0009","21.6102","0.001","96.282","0.001","105.243","0.001","100.756","0.001","5485.7","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H45 Mo12 N6 O40 P -","- C24 H45 Mo12 N6 O40 P -","- C96 H180 Mo48 N24 O160 P4 -","4","2","","Linguito, Stephen L.; Zhang, Xiao; Padmanabhan, Moothetty; Biradar, Ankush V.; Xu, Taotao; Emge, Thomas J.; Asefa, Tewodros; Li, Jing","New polyoxomolybdate compounds synthesized in situ using ionic liquid 1-butyl-3-methyl-imidazolium tetrafluoroborate as green solvent","New Journal of Chemistry","2013","37","9","2894","","10.1039/c3nj00669g","","","0.71073","MoKα","","0.0939","0.0573","","","0.1079","0.1208","","","","","","0.998","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053203","38.757","0.002","38.757","0.002","38.757","0.002","90","","90","","90","","58217","5","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C5.5 H3 Co0.58 N0 O2.67 -","- C5.5 H3 Co0.583333 O2.66667 -","- C1056 H576 Co112 O512 -","192","1","","Li, Liangjun; Tang, Sifu; Lv, Xiaoxia; Jiang, Min; Wang, Chao; Zhao, Xuebo","An rht type metal‒organic framework based on small cubicuboctahedron supermolecular building blocks and its gas adsorption properties","New Journal of Chemistry","2013","37","11","3662","","10.1039/c3nj00700f","","","0.71073","MoKα","","0.1425","0.0869","","","0.2597","0.2756","","","","","","1.505","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7053204","9.4378","0.0019","13.969","0.003","17.639","0.004","91.92","0.004","103.279","0.003","99.284","0.003","2227.6","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H48 Ag2 F6 N16 O6 S2 -","- C36 H48 Ag2 F6 N16 O6 S2 -","- C72 H96 Ag4 F12 N32 O12 S4 -","2","1","","Pilar Carranza, M.; Manzano, Blanca R.; Jalón, Félix A.; Rodríguez, Ana M.; Santos, Lucía; Moreno, Miquel","Experimental and theoretical evidence of unsupported Ag‒Ag interactions in complexes with triazine-based ligands. Subtle effects of the symmetry of the triazine substituents","New Journal of Chemistry","2013","37","10","3183","","10.1039/c3nj00738c","","","0.71073","MoKα","","0.0492","0.032","","","0.0727","0.0778","","","","","","1.033","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053205","8.9492","0.0006","13.8345","0.0009","16.1715","0.0011","90","","101.784","0.001","90","","1960","0.2","160","2","160","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Ag2 F6 N14 O8 S2 -","- C30 H34 Ag2 F6 N14 O8 S2 -","- C60 H68 Ag4 F12 N28 O16 S4 -","2","0.5","","Pilar Carranza, M.; Manzano, Blanca R.; Jalón, Félix A.; Rodríguez, Ana M.; Santos, Lucía; Moreno, Miquel","Experimental and theoretical evidence of unsupported Ag‒Ag interactions in complexes with triazine-based ligands. Subtle effects of the symmetry of the triazine substituents","New Journal of Chemistry","2013","37","10","3183","","10.1039/c3nj00738c","","","0.71073","MoKα","","0.0508","0.0331","","","0.0734","0.0817","","","","","","1.067","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053206","10.453","0.005","11.248","0.005","11.848","0.005","104.288","0.007","98.792","0.004","114.28","0.004","1178.4","0.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 Dy2 N4 O14 -","- C46 H60 Dy2 N4 O14 -","- C46 H60 Dy2 N4 O14 -","1","0.5","","Mei, Xuelan; Wang, Xiufeng; Wang, Juanjuan; Ma, Yue; Li, Licun; Liao, Daizheng","Dinuclear lanthanide complexes bridged by nitronyl nitroxide radical ligands with 2-phenolate groups: structure and magnetic properties","New Journal of Chemistry","2013","37","11","3620","","10.1039/c3nj00739a","","","0.71073","MoKα","","0.0422","0.0378","","","0.0638","0.0657","","","","","","1.062","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053207","10.509","0.004","11.349","0.005","11.813","0.004","103.788","0.004","98.622","0.004","114.832","0.003","1190.8","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 Eu2 N4 O14 -","- C46 H60 Eu2 N4 O14 -","- C46 H60 Eu2 N4 O14 -","1","0.5","","Mei, Xuelan; Wang, Xiufeng; Wang, Juanjuan; Ma, Yue; Li, Licun; Liao, Daizheng","Dinuclear lanthanide complexes bridged by nitronyl nitroxide radical ligands with 2-phenolate groups: structure and magnetic properties","New Journal of Chemistry","2013","37","11","3620","","10.1039/c3nj00739a","","","0.71073","MoKα","","0.0492","0.0402","","","0.0737","0.0769","","","","","","1.059","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053208","10.484","0.006","11.287","0.007","11.799","0.007","103.69","0.004","98.754","0.003","114.763","0.006","1180.8","1.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H60 Gd2 N4 O14 -","- C46 H60 Gd2 N4 O14 -","- C46 H60 Gd2 N4 O14 -","1","0.5","","Mei, Xuelan; Wang, Xiufeng; Wang, Juanjuan; Ma, Yue; Li, Licun; Liao, Daizheng","Dinuclear lanthanide complexes bridged by nitronyl nitroxide radical ligands with 2-phenolate groups: structure and magnetic properties","New Journal of Chemistry","2013","37","11","3620","","10.1039/c3nj00739a","","","0.71073","MoKα","","0.0471","0.041","","","0.0765","0.0794","","","","","","1.001","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053209","29.363","0.005","9.591","0.005","15.551","0.005","90","0.005","119.839","0.005","90","0.005","3799","2","293","2","293","2","","","","","","","Synthesized by the authors","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H28.71 Cl3.29 N4 O8 -","- C38 H28.704 Cl3.296 N4 O8 -","- C152 H114.816 Cl13.184 N16 O32 -","4","0.5","","Safaei, Shirin; Mohammadpoor-Baltork, Iraj; Khosropour, Ahmad Reza; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah","Copper(ii) ionic liquid catalyzed cyclization‒aromatization of hydrazones with dimethyl acetylenedicarboxylate: a green synthesis of fully substituted pyrazoles","New Journal of Chemistry","2013","37","7","2037","","10.1039/c3nj40756j","","","0.71069","MoKα","","0.2934","0.0578","","","0.1605","0.2158","","","","","","0.644","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053210","12.0842","0.0018","14.63","0.002","14.997","0.002","68.239","0.007","88.188","0.007","76.637","0.007","2391.4","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H46 F12 N7 O8 P2 Zn -","- C42 H42 F12 N7 O8 P2 Zn -","- C84 H84 F24 N14 O16 P4 Zn2 -","2","1","","Yadav, Yogesh J.; Mastropietro, Teresa F.; Szerb, Elisabeta Ildyko; Talarico, Anna Maria; Pirillo, Sante; Pucci, Daniela; Crispini, Alessandra; Ghedini, Mauro","2,2′-Bipyridine Zn(ii) complexes: effect of the 4,4′ substituents on the crystalline solid state properties","New Journal of Chemistry","2013","37","5","1486","","10.1039/c3nj40829a","","","0.71073","MoKα","","0.1177","0.0873","","","0.266","0.3031","","","","","","1.186","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053211","11.354","0.003","13.202","0.004","15.056","0.005","76.794","0.013","76.652","0.013","83.772","0.013","2134.1","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 F12 N6 O6 P2 Zn -","- C36 H36 F12 N6 O6 P2 Zn -","- C72 H72 F24 N12 O12 P4 Zn2 -","2","1","","Yadav, Yogesh J.; Mastropietro, Teresa F.; Szerb, Elisabeta Ildyko; Talarico, Anna Maria; Pirillo, Sante; Pucci, Daniela; Crispini, Alessandra; Ghedini, Mauro","2,2′-Bipyridine Zn(ii) complexes: effect of the 4,4′ substituents on the crystalline solid state properties","New Journal of Chemistry","2013","37","5","1486","","10.1039/c3nj40829a","","","0.71073","MoKα","","0.048","0.0439","","","0.1111","0.1142","","","","","","1.101","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053212","7.507","0.005","12.063","0.008","16.97","0.011","90","","96.79","0.02","90","","1526","1.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C72 H72 N12 O12 -","6","1.5","","Yadav, Yogesh J.; Mastropietro, Teresa F.; Szerb, Elisabeta Ildyko; Talarico, Anna Maria; Pirillo, Sante; Pucci, Daniela; Crispini, Alessandra; Ghedini, Mauro","2,2′-Bipyridine Zn(ii) complexes: effect of the 4,4′ substituents on the crystalline solid state properties","New Journal of Chemistry","2013","37","5","1486","","10.1039/c3nj40829a","","","0.71073","MoKα","","0.0774","0.0485","","","0.1244","0.1437","","","","","","1.024","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053213","6.1134","0.0012","12.529","0.003","14.622","0.003","90","","92.51","0.03","90","","1118.9","0.4","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 S2 -","- C30 H20 S2 -","- C60 H40 S4 -","2","0.5","","Liu, Ying; Liu, Qida; Zhang, Xingye; Ai, Ling; Wang, Yang; Peng, Ruixiang; Ge, Ziyi","Synthesis, crystal structure, and polymerization of butterfly-shaped thieno[3,2-b]thiophene oligomers","New Journal of Chemistry","2013","37","4","1189","","10.1039/c3nj40909k","","","0.71073","MoKα","","0.0481","0.0444","","","0.1151","0.1179","","","","","","1.103","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053214","3.9007","0.0011","11.814","0.003","15.453","0.003","90","","94.644","0.014","90","","709.8","0.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Br2 S4 -","- C14 H6 Br2 S4 -","- C28 H12 Br4 S8 -","2","0.5","","Liu, Ying; Liu, Qida; Zhang, Xingye; Ai, Ling; Wang, Yang; Peng, Ruixiang; Ge, Ziyi","Synthesis, crystal structure, and polymerization of butterfly-shaped thieno[3,2-b]thiophene oligomers","New Journal of Chemistry","2013","37","4","1189","","10.1039/c3nj40909k","","","0.7107","MoKα","","0.0974","0.0964","","","0.2658","0.2661","","","","","","1.154","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053215","6.1799","0.0012","7.6986","0.0015","21.307","0.004","90","","97.69","0.03","90","","1004.6","0.3","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 S6 -","- C22 H12 S6 -","- C44 H24 S12 -","2","0.5","","Liu, Ying; Liu, Qida; Zhang, Xingye; Ai, Ling; Wang, Yang; Peng, Ruixiang; Ge, Ziyi","Synthesis, crystal structure, and polymerization of butterfly-shaped thieno[3,2-b]thiophene oligomers","New Journal of Chemistry","2013","37","4","1189","","10.1039/c3nj40909k","","","0.71073","MoKα","","0.129","0.1182","","","0.3378","0.3455","","","","","","1.122","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053216","14.402","0.0002","8.9147","0.0001","18.3569","0.0012","90","","92.158","0.007","90","","2355.16","0.16","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(diethylamino)-6,6-diphenyl-6H-benzo[e]benzo[4,5]oxazolo[3,2-c] [1,3,2]oxazaborinin-7-ium-6-uide","","- C29 H27 B N2 O2 -","- C29 H27 B N2 O2 -","- C116 H108 B4 N8 O8 -","4","1","","Massue, Julien; Retailleau, Pascal; Ulrich, Gilles; Ziessel, Raymond","Synthesis of luminescent BPh2-coordinated 2-(2′-hydroxyphenyl)benzoxazole (HBO)","New Journal of Chemistry","2013","37","4","1224","","10.1039/c3nj41052h","","","1.54187","CuKα","","0.0735","0.053","","","0.1119","0.1296","","","","","","1.126","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053217","18.9987","0.0003","14.3343","0.0003","25.2809","0.0017","90","","90","","90","","6884.8","0.5","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","2-((4-(dibutylamino)phenyl)ethynyl)-6,6-diphenyl-6H-benzo[e]benzo[4,5] oxazolo[3,2-c][1,3,2]oxazaborinin-7-ium-6-uide","","- C41 H39 B N2 O2 -","- C41 H39 B N2 O2 -","- C328 H312 B8 N16 O16 -","8","1","","Massue, Julien; Retailleau, Pascal; Ulrich, Gilles; Ziessel, Raymond","Synthesis of luminescent BPh2-coordinated 2-(2′-hydroxyphenyl)benzoxazole (HBO)","New Journal of Chemistry","2013","37","4","1224","","10.1039/c3nj41052h","","","1.54187","CuKα","","0.098","0.0612","","","0.1641","0.2191","","","","","","1.165","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053218","26.495","0.0019","9.2581","0.0007","16.7981","0.0012","90","","94","0.004","90","","4110.4","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H54 Fe2 N6 O10 P2 S2 -","- C31 H54 Fe2 N6 O10 P2 S2 -","- C124 H216 Fe8 N24 O40 P8 S8 -","4","1","","Gao, Shang; Guo, Hongling; Peng, Xiaojun; Zhao, Xing; Duan, Qian; Liang, Qingcheng; Jiang, Dayong","The employment of a hydrophilic tris(morpholino)phosphine ligand in diiron propane-1,3-dithiolate complexes for potentially water-soluble iron-only hydrogenase active-site mimics","New Journal of Chemistry","2013","37","5","1437","","10.1039/c3nj41058g","","","0.71073","MoKα","","0.0888","0.059","","","0.1394","0.156","","","","","","1.035","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053219","12.4884","0.0007","5.0947","0.0003","17.4942","0.001","90","","99.941","0.001","90","","1096.35","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(1H-tetrazol-1-yl)acetic acid","","- C3 H4 N4 O2 -","- C3 H4 N4 O2 -","- C24 H32 N32 O16 -","8","2","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.0416","0.0332","","","0.0835","0.0891","","","","","","1.032","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053220","7.592","0.0004","13.7908","0.0008","15.7389","0.0009","114.474","0.002","100.409","0.001","90.831","0.005","1467.75","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","guanidinium 1-methoxy-5-nitroiminotetrazolate","guanidinium 1-methoxy-5-nitroiminotetrazolate","","- C3 H9.66667 N9 O3.33333 -","- C3 H9.66667 N9 O3.33333 -","- C18 H58 N54 O20 -","6","3","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.0598","0.0413","","","0.1192","0.1287","","","","","","1.077","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053221","17.1247","0.0006","9.7122","0.0003","13.4618","0.0008","90","","119.073","0.002","90","","1956.84","0.15","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","aminoguanidinium 1-methoxy-5-nitroiminotetrazolate","aminoguanidinium 1-methoxy-5-nitroiminotetrazolate","","- C3 H10 N10 O3 -","- C3 H10 N10 O3 -","- C24 H80 N80 O24 -","8","1","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.0859","0.0411","","","0.1044","0.1241","","","","","","0.985","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053222","6.5764","0.0012","9.2377","0.0017","9.8647","0.0018","105.849","0.004","100.993","0.004","103.37","0.004","539.86","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","diaminoguanidinium 1-methoxy-5-nitroiminotetrazolate","diaminoguanidinium 1-methoxy-5-nitroiminotetrazolate","","- C3 H11 N11 O3 -","- C3 H11 N11 O3 -","- C6 H22 N22 O6 -","2","1","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.053","0.0494","","","0.156","0.16","","","","","","1.068","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053223","6.9336","0.0001","7.9708","0.0001","10.6766","0.0002","103.98","0.001","97.668","0.003","100.985","0.001","552.023","0.016","296","2","296","2","","","","","","","","4","P -1","-P 1","2","triaminoguanidinium 1-methoxy-5-nitroiminotetrazolate","triaminoguanidinium 1-methoxy-5-nitroiminotetrazolate","","- C3 H12 N12 O3 -","- C3 H12 N12 O3 -","- C6 H24 N24 O6 -","2","1","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.0408","0.0333","","","0.0988","0.1032","","","","","","1.115","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053224","7.3715","0.0001","7.4426","0.0001","15.3365","0.0003","101.616","0.003","97.451","0.001","94.214","0.005","812.91","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","carbohydrazidinium 1-methoxy-5-nitroiminotetrazolate","carbohydrazidinium 1-methoxy-5-nitroiminotetrazolate","","- C5 H14 N16 O7 -","- C5 H14 N16 O7 -","- C10 H28 N32 O14 -","2","1","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.0575","0.0374","","","0.0954","0.1032","","","","","","0.964","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053225","3.8294","0.0003","27.714","0.002","9.5787","0.0008","90","","97.796","0.001","90","","1007.17","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","3-amino-1,2,4-triazolium 1-methoxy-5-nitroiminotetrazolate","3-amino-1,2,4-triazolium 1-methoxy-5-nitroiminotetrazolate","","- C4 H8 N10 O3 -","- C4 H8 N10 O3 -","- C16 H32 N40 O12 -","4","1","","Joo, Young-Hyuk; Chung, Jin Hyuk; Cho, Soo Gyeong; Goh, Eun Mee","Energetic salts based on 1-methoxy-5-nitroiminotetrazole","New Journal of Chemistry","2013","37","4","1180","","10.1039/c3nj41117f","","","0.71073","MoKα","","0.0674","0.0364","","","0.0765","0.085","","","","","","0.861","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053226","11.956","0.002","16.995","0.004","15.106","0.003","90","","100.308","0.014","90","","3019.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 F12 Fe2 O5 P2 -","- C56 H42 F12 Fe2 O5 P2 -","- C112 H84 F24 Fe4 O10 P4 -","2","0.5","","Ba, Fatou; Cabon, Nolwenn; Le Poul, Pascal; Kahlal, Samia; Saillard, Jean-Yves; Le Poul, Nicolas; Golhen, Stéphane; Caro, Bertrand; Robin-Le Guen, Françoise","Diferrocenylpyrylium salts and electron rich bispyran from oxidative coupling of ferrocenylpyran. Example of redox systems switched by proton transfer","New Journal of Chemistry","2013","37","7","2066","","10.1039/c3nj41126e","","","0.71073","MoKα","","0.238","0.1191","","","0.3143","0.3952","","","","","","1.092","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053227","14.5334","0.0006","14.2796","0.0005","15.2101","0.0005","90","","92.956","0.003","90","","3152.4","0.2","100","2","100","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C25 H57 F6 P2 Pd Sb -","- C25 H57 F6 P2 Pd Sb -","- C100 H228 F24 P8 Pd4 Sb4 -","4","1","","Walter, Marc D.; White, Peter S.; Brookhart, Maurice","Synthesis, structure and computational studies of a cationic T-shaped Pd-complex","New Journal of Chemistry","2013","37","4","1128","","10.1039/c3nj41145a","","","1.54185","CuKα","","0.0807","0.0564","","","0.1785","0.1953","","","","","","1.079","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053228","19.352","0.004","13.626","0.003","11.721","0.002","90","","107.01","0.03","90","","2955.5","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H25 N3 O4 Zn -","- C35 H25 N3 O4 Zn -","- C140 H100 N12 O16 Zn4 -","4","0.5","","Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.","Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds","New Journal of Chemistry","2013","37","5","1529","","10.1039/c3nj41176a","","","0.71073","MoKα","","0.0479","0.0362","","","0.0953","0.1026","","","","","","1","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053229","20.389","0.004","13.924","0.003","12.196","0.002","90","","113.21","0.03","90","","3182.2","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 N3 O6 S2 Zn -","- C35 H29 N3 O6 S2 Zn -","- C140 H116 N12 O24 S8 Zn4 -","4","0.5","","Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.","Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds","New Journal of Chemistry","2013","37","5","1529","","10.1039/c3nj41176a","","","0.71073","MoKα","","0.0518","0.0372","","","0.1126","0.1227","","","","","","1.029","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053230","11.0686","0.0007","22.0148","0.0013","12.9592","0.0009","90","","117.908","0.004","90","","2790.6","0.3","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 F6 N3 O7 S2 Zn -","- C23 H17 F6 N3 O7 S2 Zn -","- C92 H68 F24 N12 O28 S8 Zn4 -","4","1","","Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.","Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds","New Journal of Chemistry","2013","37","5","1529","","10.1039/c3nj41176a","","","0.71073","MoKα","","0.048","0.0371","","","0.0945","0.1046","","","","","","1.005","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053231","13.007","0.003","9.863","0.002","26.388","0.008","90","","110.93","0.03","90","","3161.9","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N3 O7 Zn -","- C36 H29 N3 O7 Zn -","- C144 H116 N12 O28 Zn4 -","4","1","","Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.","Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds","New Journal of Chemistry","2013","37","5","1529","","10.1039/c3nj41176a","","","0.71073","MoKα","","0.0624","0.0408","","","0.1048","0.1224","","","","","","1.036","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053232","13.998","0.002","14.822","0.002","15.489","0.002","106.615","0.007","103.451","0.007","91.595","0.007","2979.6","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H25 N3 O6 Zn -","- C35 H25 N3 O6 Zn -","- C140 H100 N12 O24 Zn4 -","4","2","","Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.","Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds","New Journal of Chemistry","2013","37","5","1529","","10.1039/c3nj41176a","","","0.71073","MoKα","","0.0759","0.0476","","","0.1144","0.1328","","","","","","1.014","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053233","16.503","0.003","17.021","0.003","10.663","0.002","90","","99.67","0.03","90","","2952.7","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H25 N3 O6 Zn -","- C35 H25 N3 O6 Zn -","- C140 H100 N12 O24 Zn4 -","4","0.5","","Ma, Zhen; Lu, Wanbing; Liang, Baohuan; Pombeiro, Armando J. L.","Synthesis, characterization, photoluminescent and thermal properties of zinc(ii) 4′-phenyl-terpyridine compounds","New Journal of Chemistry","2013","37","5","1529","","10.1039/c3nj41176a","","","0.71073","MoKα","","0.038","0.0305","","","0.0883","0.0943","","","","","","1.024","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053234","11.543","0.002","11.5238","0.0017","15.689","0.003","90","","100.072","0.004","90","","2054.8","0.6","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H69 Br N2 S -","- C45 H69 Br N2 S -","- C90 H138 Br2 N4 S2 -","2","1","","Foreiter, Magdalena B.; Gunaratne, H. Q. Nimal; Nockemann, Peter; Seddon, Kenneth R.; Stevenson, Paul J.; Wassell, David F.","Chiral thiouronium salts: synthesis, characterisation and application in NMR enantio-discrimination of chiral oxoanions","New Journal of Chemistry","2013","37","2","515","","10.1039/c2nj40632b","","","0.71075","Molybdenum","","0.0829","0.0535","","","0.063","0.0759","","","","","","0.87","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053235","7.525","0.0004","7.8787","0.0006","14.2239","0.0012","99.852","0.007","100.646","0.006","104.192","0.006","782.49","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","(2-imino-4-phenyl-1,3-thiazol-3-(2H)-yl)methyl phosphinate","(2-imino-4-phenyl-1,3-thiazol-3-(2H)-yl)methyl phosphinate","","- C11 H12 Cl3 N2 O2 P S -","- C11 H12 Cl3 N2 O2 P S -","- C22 H24 Cl6 N4 O4 P2 S2 -","2","1","","Betzl, Wolfgang; Hettstedt, Christina; Karaghiosoff, Konstantin","New anellated 4H-1,4,2-diazaphospholes","New Journal of Chemistry","2013","37","2","481","","10.1039/c2nj40709d","","","0.71069","MoKα","","0.0937","0.0563","","","0.1118","0.1237","","","","","","1.024","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053236","10.6264","0.0006","14.7725","0.0007","14.6357","0.001","90","","104.793","0.007","90","","2221.3","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H40 Li N3 Zn -","- C18.97 H40 Li N2.992 Zn -","- C75.88 H160 Li4 N11.968 Zn4 -","4","1","","Saßmannshausen, Jörg; Klett, Jan; Kennedy, Alan R.; Parkinson, John A.; Armstrong, David","Taming the shrew: [TMEDALi-Zn(C2H4)2L] as a model compound for anionic ethene polymerisation","New Journal of Chemistry","2013","37","2","494","","10.1039/c2nj40874k","","","1.5418","CuKα","","0.0664","0.0594","","","0.1503","0.1562","","","","","","1.054","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053237","10.3386","0.0006","10.3386","0.0006","37.798","0.002","90","","90","","90","","4040.1","0.4","123","2","123","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C17 H36 Li N3 Zn -","- C17 H36 Li N3 Zn -","- C136 H288 Li8 N24 Zn8 -","8","1","","Saßmannshausen, Jörg; Klett, Jan; Kennedy, Alan R.; Parkinson, John A.; Armstrong, David","Taming the shrew: [TMEDALi-Zn(C2H4)2L] as a model compound for anionic ethene polymerisation","New Journal of Chemistry","2013","37","2","494","","10.1039/c2nj40874k","","","0.71073","MoKα","","0.0706","0.0442","","","0.0837","0.0867","","","","","","0.961","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053238","8.077","0.001","9.435","0.001","12.681","0.002","70.06","0.01","80.19","0.01","67.97","0.01","841.1","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","octaaquadysprosium 5,5'-azobis[tetrazolide]","","","- C6 H32 Dy2 N30 O16 -","- C6 H32 Dy2 N30 O16 -","- C6 H32 Dy2 N30 O16 -","1","0.5","","Knoll, Christian; Müller, Danny; Giester, Gerald; Ofner, Johannes; Lendl, Bernhard; Weinberger, Peter; Steinhauser, Georg","An unusually water-poor 5,5′-azobistetrazolate of dysprosium: stabilization of a nitrogen-rich heterocycle by a minimum of hydrogen bonds","New Journal of Chemistry","2013","37","12","3840","","10.1039/c3nj00492a","","","0.71073","MoKα","","0.025","0.0195","","","0.0416","0.0431","","","","","","1.041","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053239","30.805","0.007","30.805","0.007","14.937","0.003","90","","90","","90","","14174","5","110","","110","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C39.07 H42.07 Cl0.22 N4 -","- C39.0731 H42.0731 Cl0.2193 N4 -","- C625.17 H673.17 Cl3.5088 N64 -","16","1","","Deans, Richard M.; Mass, Olga; Diers, James R.; Bocian, David F.; Lindsey, Jonathan S.","Serendipitous synthetic entrée to tetradehydro analogues of cobalamins","New Journal of Chemistry","2013","37","12","3964","","10.1039/c3nj00574g","","","0.71073","MoKα","","0.0963","0.053","","","0.1321","0.1543","","","","","","1.034","","","","has coordinates,has disorder","180086","2020-10-21","18:00:00",""
"7053240","7.6351","0.0012","8.811","0.0008","16.5849","0.0019","77.5","0.009","86.211","0.01","76.035","0.01","1057","0.2","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H31 N3 O3 -","- C23 H31 N3 O3 -","- C46 H62 N6 O6 -","2","1","","Klikar, Milan; Bureš, Filip; Pytela, Oldřich; Mikysek, Tomáš; Padělková, Zdeňka; Barsella, Alberto; Dorkenoo, Kokou; Achelle, Sylvain","N,N′-Dibutylbarbituric acid as an acceptor moiety in push‒pull chromophores","New Journal of Chemistry","2013","37","12","4230","","10.1039/c3nj00683b","","","0.71073","MoKα","","0.0631","0.0484","","","0.1149","0.1282","","","","","","1.091","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053241","7.878","0.0004","8.885","0.0008","14.7671","0.0016","82.567","0.007","84.778","0.007","76.935","0.006","996.38","0.15","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C42 H58 N6 O6 -","2","1","","Klikar, Milan; Bureš, Filip; Pytela, Oldřich; Mikysek, Tomáš; Padělková, Zdeňka; Barsella, Alberto; Dorkenoo, Kokou; Achelle, Sylvain","N,N′-Dibutylbarbituric acid as an acceptor moiety in push‒pull chromophores","New Journal of Chemistry","2013","37","12","4230","","10.1039/c3nj00683b","","","0.71073","MoKα","","0.1326","0.072","","","0.1436","0.1792","","","","","","1.127","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053242","12.393","0.005","12.925","0.005","20.31","0.009","93.317","0.005","91.661","0.005","100.267","0.005","3193","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- B16 Cd3 H53.5 Na3.5 O79.5 V12 -","- B16 Cd3 Na3.5 O79.5 V12 -","- B32 Cd6 Na7 O159 V24 -","2","1","","Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Kong, Chunyang; Zou, Huahong; Tang, Qiuling; Li, Jianhui","Two new 3-D boratopolyoxovanadate architectures based on the [V12B16O50(OH)8]12− cluster with different metal linkers","New Journal of Chemistry","2013","37","12","4077","","10.1039/c3nj00793f","","","0.71073","MoKα","","0.083","0.0744","","","0.223","0.2316","","","","","","1.103","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053243","17.048","0.008","17.431","0.008","23.628","0.011","90","","90.063","0.008","90","","7021","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B16 H51 Na O76 V12 Zn2 -","- B16 Na O76 V12 Zn2 -","- B64 Na4 O304 V48 Zn8 -","4","0.5","","Liu, Xing; Zhou, Jian; Xiao, Hong-Ping; Kong, Chunyang; Zou, Huahong; Tang, Qiuling; Li, Jianhui","Two new 3-D boratopolyoxovanadate architectures based on the [V12B16O50(OH)8]12− cluster with different metal linkers","New Journal of Chemistry","2013","37","12","4077","","10.1039/c3nj00793f","","","0.71073","MoKα","","0.0826","0.0721","","","0.208","0.2196","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7053244","12.2233","0.0012","15.1078","0.0015","12.1652","0.0012","90","","105.227","0.001","90","","2167.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Ag2 F12 N12 P2 -","- C36 H40 Ag2 F12 N12 P2 -","- C72 H80 Ag4 F24 N24 P4 -","2","0.5","","Biffis, Andrea; Cipani, Matteo; Tubaro, Cristina; Basato, Marino; Costante, Michele; Bressan, Edoardo; Venzo, Alfonso; Graiff, Claudia","Dinuclear complexes of silver(i) and gold(i) with macrocyclic dicarbene ligands bearing a 2,6-lutidinyl bridge: synthesis, structural analysis and dynamic behaviour in solution","New Journal of Chemistry","2013","37","12","4176","","10.1039/c3nj01000g","","","0.71073","MoKα","","0.0353","0.0306","","","0.0822","0.0868","","","","","","1.051","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7053245","10.8843","0.0006","11.3235","0.0007","12.6353","0.0007","72.9578","0.0008","79.9609","0.0009","69.2499","0.0008","1387.99","0.14","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 Au2 F12 N14 P2 -","- C50 H50 Au2 F12 N14 P2 -","- C50 H50 Au2 F12 N14 P2 -","1","0.5","","Biffis, Andrea; Cipani, Matteo; Tubaro, Cristina; Basato, Marino; Costante, Michele; Bressan, Edoardo; Venzo, Alfonso; Graiff, Claudia","Dinuclear complexes of silver(i) and gold(i) with macrocyclic dicarbene ligands bearing a 2,6-lutidinyl bridge: synthesis, structural analysis and dynamic behaviour in solution","New Journal of Chemistry","2013","37","12","4176","","10.1039/c3nj01000g","","","0.71073","MoKα","","0.0374","0.031","","","0.0782","0.081","","","","","","1.04","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7054070","8.4373","0.0014","9.5358","0.0016","10.6711","0.0018","91.896","0.003","105.717","0.003","107.104","0.003","784","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H26 B9 N4 S -","- C5 H26 B9 N4 S -","- C10 H52 B18 N8 S2 -","2","1","","Stogniy, Marina Yu.; Sivaev, Igor B.; Godovikov, Ivan A.; Starikova, Zoya A.; Bregadze, Vladimir I.; Qi, Shicheng","Synthesis of new ω-amino- and ω-azidoalkyl carboranes","New Journal of Chemistry","2013","37","12","3865","","10.1039/c3nj00677h","","","0.71073","MoKα","","0.0504","0.0447","","","0.1184","0.1241","","","","","","1.062","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054071","8.947","0.0018","20.874","0.004","10.471","0.002","90","","100.02","0.03","90","","1925.7","0.7","95","2","95","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Mn2 N O9 -","- C16 H25 Mn2 N O9 -","- C64 H100 Mn8 N4 O36 -","4","1","","Kim, Tae Kyung; Lee, Kyung Joo; Choi, Min; Park, Noejung; Moon, Dohyun; Moon, Hoi Ri","Metal‒organic frameworks constructed from flexible ditopic ligands: conformational diversity of an aliphatic ligand","New Journal of Chemistry","2013","37","12","4130","","10.1039/c3nj00812f","","","0.75001","synchrotron","","0.0457","0.0453","","","0.1172","0.1174","","","","","","1.115","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054072","28.365","0.004","28.365","0.004","13.361","0.003","90","","90","","90","","10750","3","95","2","95","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C18 H33 Co2 N2 O11.5 -","- C18 H30 Co2 N2 O10 -","- C288 H480 Co32 N32 O160 -","16","","","Kim, Tae Kyung; Lee, Kyung Joo; Choi, Min; Park, Noejung; Moon, Dohyun; Moon, Hoi Ri","Metal‒organic frameworks constructed from flexible ditopic ligands: conformational diversity of an aliphatic ligand","New Journal of Chemistry","2013","37","12","4130","","10.1039/c3nj00812f","","","0.80003","synchrotron","","0.0645","0.0614","","","0.1411","0.1423","","","","","","1.206","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054073","12.108","0.002","17.477","0.004","20.111","0.004","90","","91.99","0.03","90","","4253.2","1.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H50 N2 O20 Tb3 -","- C33 H50 N2 O20 Tb3 -","- C132 H200 N8 O80 Tb12 -","4","1","","Kim, Tae Kyung; Lee, Kyung Joo; Choi, Min; Park, Noejung; Moon, Dohyun; Moon, Hoi Ri","Metal‒organic frameworks constructed from flexible ditopic ligands: conformational diversity of an aliphatic ligand","New Journal of Chemistry","2013","37","12","4130","","10.1039/c3nj00812f","","","0.71073","MoKα","","0.0638","0.0396","","","0.0827","0.0937","","","","","","1.028","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054074","16.681","0.006","18.988","0.006","15.587","0.007","90","","90","","90","","4937","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H48 Ce3 Mn2 Na O31 -","- C16 H24 Ce3 Mn2 Na O27 -","- C64 H96 Ce12 Mn8 Na4 O108 -","4","0.5","","Zhang, Chunjing; Chen, Yanyan; Ma, Huiyuan; Yu, Tingting; Liu, Bo; Pang, Haijun","Synthesis and structural characterization of 3d‒4f heterometallic coordination polymers: from cluster to chain","New Journal of Chemistry","2013","37","5","1364","","10.1039/c3nj41064a","","","0.71069","MoKα","","0.0927","0.0578","","","0.1351","0.1478","","","","","","0.93","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054075","8.255","0.001","10.394","0.001","11.55","0.001","111.477","0.001","107.859","0.001","93.506","0.001","860.78","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H38 Mn Na2 Nd2 O24 -","- C16 H24 Mn Na2 Nd2 O24 -","- C16 H24 Mn Na2 Nd2 O24 -","1","0.5","","Zhang, Chunjing; Chen, Yanyan; Ma, Huiyuan; Yu, Tingting; Liu, Bo; Pang, Haijun","Synthesis and structural characterization of 3d‒4f heterometallic coordination polymers: from cluster to chain","New Journal of Chemistry","2013","37","5","1364","","10.1039/c3nj41064a","","","0.71069","MoKα","","0.038","0.0316","","","0.0749","0.0779","","","","","","1.024","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054076","19.6993","0.0002","20.9296","0.0003","19.2039","0.0002","90","","92.301","0.001","90","","7911.35","0.16","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 O15 S14 Ti4 -","- C70 H70 O15 S14 Ti4 -","- C280 H280 O60 S56 Ti16 -","4","1","","Mehner, Alexander; Rüffer, Tobias; Lang, Heinrich; Schlesinger, Maik; Mehring, Michael; Spange, Stefan","Chirality and reversible solid state phase transition of a tetranuclear titanium oxido cluster","New Journal of Chemistry","2013","37","5","1290","","10.1039/c3nj40775f","","","1.54184","CuKα","","0.0763","0.0592","","","0.1584","0.1758","","","","","","1.028","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054077","20.1052","0.0006","20.8771","0.0005","18.6043","0.0005","90","","96.981","0.003","90","","7751","0.4","160","","160","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H70 O15 S14 Ti4 -","- C70 H70 O15 S14 Ti4 -","- C280 H280 O60 S56 Ti16 -","4","1","","Mehner, Alexander; Rüffer, Tobias; Lang, Heinrich; Schlesinger, Maik; Mehring, Michael; Spange, Stefan","Chirality and reversible solid state phase transition of a tetranuclear titanium oxido cluster","New Journal of Chemistry","2013","37","5","1290","","10.1039/c3nj40775f","","","0.71073","MoKα","","0.0749","0.0527","","","0.1415","0.1591","","","","","","1.065","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054078","22.889","0.007","13.486","0.004","21.398","0.006","90","","113.624","0.004","90","","6052","3","163","2","163","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H72 O16 S4 -","- C60 H72 O16 S4 -","- C240 H288 O64 S16 -","4","0.5","","Georghiou, Paris E.; Rahman, Shofiur; Valluru, Gopikishore; Dawe, Louise N.; Rahman, S. M. Saydur; Alodhayb, Abdullah N.; Beaulieu, L. Y.","Synthesis of an upper- and lower-rim functionalized calix[4]arene for detecting calcium ions using a microcantilever sensor","New Journal of Chemistry","2013","37","5","1298","","10.1039/c3nj00223c","","","0.71075","MoKα","","0.1061","0.0944","","","0.2554","0.266","","","","","","1.126","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054079","20.167","0.003","19.979","0.005","15.367","0.004","90","","113.935","0.013","90","","5659","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N4 O2 S7 -","- C26 H22 N4 O2 S7 -","- C208 H176 N32 O16 S56 -","8","1","","Belhadj, Esmah; El-Ghayoury, Abdelkrim; Ripaud, Emilie; Zorina, Leokadiya; Allain, Magali; Batail, Patrick; Mazari, Miloud; Sallé, Marc","Terpyridine‒tetrathiafulvalene hybrid ligands and their electroactive metal complexes","New Journal of Chemistry","2013","37","5","1427","","10.1039/c3nj00041a","","","0.71073","MoKα","","0.1545","0.0675","","","0.1266","0.168","","","","","","1.077","","","","has coordinates,has disorder","180094","2020-10-21","18:00:00",""
"7054080","25.001","0.002","11.856","0.001","20.044","0.001","90","","117.164","0.007","90","","5286","0.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 N4 O2 S6 -","- C25 H20 N4 O2 S6 -","- C200 H160 N32 O16 S48 -","8","1","","Belhadj, Esmah; El-Ghayoury, Abdelkrim; Ripaud, Emilie; Zorina, Leokadiya; Allain, Magali; Batail, Patrick; Mazari, Miloud; Sallé, Marc","Terpyridine‒tetrathiafulvalene hybrid ligands and their electroactive metal complexes","New Journal of Chemistry","2013","37","5","1427","","10.1039/c3nj00041a","","","0.71073","MoKα","","0.1375","0.0589","","","0.0841","0.1066","","","","","","1.07","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054081","8.967","0.009","17.79","0.01","21.38","0.02","83","0.1","88.3","0.1","77.74","0.09","3308","5","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H45 Cl2 N8 Ni O10.5 S16 -","- C52 H44 Cl2 N8 Ni O10.5 S16 -","- C104 H88 Cl4 N16 Ni2 O21 S32 -","2","1","","Belhadj, Esmah; El-Ghayoury, Abdelkrim; Ripaud, Emilie; Zorina, Leokadiya; Allain, Magali; Batail, Patrick; Mazari, Miloud; Sallé, Marc","Terpyridine‒tetrathiafulvalene hybrid ligands and their electroactive metal complexes","New Journal of Chemistry","2013","37","5","1427","","10.1039/c3nj00041a","","","0.71073","MoKα","","0.3442","0.1152","","","0.2286","0.3306","","","","","","1.028","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054082","8.199","0.0008","11.455","0.001","19.958","0.002","96.439","0.007","90.342","0.007","110.707","0.008","1740.2","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H26 Cl2 N4 O2 S8 Zn -","- C26 H22 Cl2 N4 O S8 Zn -","- C52 H44 Cl4 N8 O2 S16 Zn2 -","2","1","","Belhadj, Esmah; El-Ghayoury, Abdelkrim; Ripaud, Emilie; Zorina, Leokadiya; Allain, Magali; Batail, Patrick; Mazari, Miloud; Sallé, Marc","Terpyridine‒tetrathiafulvalene hybrid ligands and their electroactive metal complexes","New Journal of Chemistry","2013","37","5","1427","","10.1039/c3nj00041a","","","0.71073","MoKα","","0.0836","0.059","","","0.144","0.1553","","","","","","1.05","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054083","8.177","0.001","11.319","0.001","20.788","0.001","90","","90","","90","","1924","0.3","150","0.1","150","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 F3 N3 O8 S -","- C15 H16 F3 N3 O8 S -","- C60 H64 F12 N12 O32 S4 -","4","1","","Chaume, Grégory; Feytens, Debby; Chassaing, Gérard; Lavielle, Solange; Brigaud, Thierry; Miclet, Emeric","Conformational properties of peptides incorporating a fluorinated pseudoproline residue","New Journal of Chemistry","2013","37","5","1336","","10.1039/c3nj41084f","","","0.71069","MoKα","","0.044","0.0345","","","0.0791","0.0829","","","","","","1.056","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054084","6.8983","0.0006","12.0634","0.001","12.5086","0.001","90","","90","","90","","1040.93","0.15","293","2","293","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 Cl F N O -","- C9 H17 Cl F N O -","- C36 H68 Cl4 F4 N4 O4 -","4","1","","Dutheuil, Guillaume; Pierry, Camille; Villiers, Emilie; Couve-Bonnaire, Samuel; Pannecoucke, Xavier","Straightforward asymmetric synthesis of Ala-Ψ[CFCH]-Pro, a proline-containing pseudodipeptide bearing a fluoroolefin as a peptide bond mimic","New Journal of Chemistry","2013","37","5","1320","","10.1039/c2nj40891k","","x-ray","0.71073","MoKα","","0.0272","0.0266","","","0.0689","0.07","","","","","","1.118","","","","has coordinates","180094","2020-10-21","18:00:00",""
"7054112","6.8185","0.0002","9.5913","0.0003","10.5299","0.0003","90","","105.586","0.002","90","","663.31","0.03","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Y2 -","- Mo4 O15 Y2 -","- Mo8 O30 Y4 -","2","0.5","","Laufer, Sonja; Strobel, Sabine; Schleid, Thomas; Cybinska, Joanna; Mudring, Anja-Verena; Hartenbach, Ingo","Yttrium(iii) oxomolybdates(vi) as potential host materials for luminescence applications: an investigation of Eu3±doped Y2[MoO4]3 and Y2[MoO4]2[Mo2O7]","New Journal of Chemistry","2013","37","7","1919","","10.1039/c3nj00166k","","","0.71073","MoKα","","0.0277","0.0271","","","0.0704","0.071","","","","","","1.046","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054113","10.3021","0.0003","10.3241","0.0003","10.5725","0.0003","90","","90","","90","","1124.49","0.06","293","2","293","2","","","","","","","","3","P b a 2","P 2 -2ab","32","","","","- Mo3 O12 Y2 -","- Mo3 O12 Y2 -","- Mo12 O48 Y8 -","4","1","","Laufer, Sonja; Strobel, Sabine; Schleid, Thomas; Cybinska, Joanna; Mudring, Anja-Verena; Hartenbach, Ingo","Yttrium(iii) oxomolybdates(vi) as potential host materials for luminescence applications: an investigation of Eu3±doped Y2[MoO4]3 and Y2[MoO4]2[Mo2O7]","New Journal of Chemistry","2013","37","7","1919","","10.1039/c3nj00166k","","","0.71073","MoKα","","0.047","0.037","","","0.0721","0.0755","","","","","","1.032","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054114","7.2927","0.0002","7.2927","0.0002","10.5726","0.0003","90","","90","","90","","562.29","0.03","293","2","293","2","","","","","","","","3","P -4 21 m","P -4 2ab","113","","","","- Mo3 O12 Y2 -","- Mo3 O12 Y2 -","- Mo6 O24 Y4 -","2","0.25","","Laufer, Sonja; Strobel, Sabine; Schleid, Thomas; Cybinska, Joanna; Mudring, Anja-Verena; Hartenbach, Ingo","Yttrium(iii) oxomolybdates(vi) as potential host materials for luminescence applications: an investigation of Eu3±doped Y2[MoO4]3 and Y2[MoO4]2[Mo2O7]","New Journal of Chemistry","2013","37","7","1919","","10.1039/c3nj00166k","","","0.71073","MoKα","","0.0252","0.0221","","","0.0431","0.0439","","","","","","1.058","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7054115","15.7778","0.0004","14.6264","0.0004","29.5827","0.0007","90","","97.554","0.001","90","","6767.6","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 Cd0.5 N6 O7 S -","- C24 H25 Cd0.5 N6 O7 S -","- C192 H200 Cd4 N48 O56 S8 -","8","1","","Lee, Hyo Hee; Jung, Sung Ho; Park, Sunhong; Park, Ki-Min; Jung, Jong Hwa","A metal‒organic framework gel with Cd2+ derived from only coordination bonds without intermolecular interactions and its catalytic ability","New Journal of Chemistry","2013","37","8","2330","","10.1039/c3nj00164d","","","0.71073","MoKα","","0.0366","0.0322","","","0.0845","0.0865","","","","","","1.099","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054116","11.497","0.002","11.542","0.002","12.417","0.003","113.9","0.03","106.8","0.03","99.11","0.03","1368.9","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H52 Br2 N10 O8 S2 -","- C56 H52 Br2 N10 O8 S2 -","- C56 H52 Br2 N10 O8 S2 -","1","0.5","","Sun, Hubin; Liu, Lang; Wu, Dongling; Jia, Dianzeng; Guo, Jixi","Synthesis, photochromic properties and thermal bleaching kinetics of pyrazolone phenylsemicarbazones containing a thiophene ring","New Journal of Chemistry","2013","37","8","2351","","10.1039/c3nj00241a","","","0.71073","MoKα","","0.0705","0.0404","","","0.0983","0.1405","","","","","","1.08","","","","has coordinates,has disorder","180095","2020-10-21","18:00:00",""
"7054117","12.38","0.003","11.605","0.002","19.026","0.004","90","","104.66","0.03","90","","2644.5","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 Cl N5 O3 S -","- C27 H22 Cl N5 O3 S -","- C108 H88 Cl4 N20 O12 S4 -","4","1","","Sun, Hubin; Liu, Lang; Wu, Dongling; Jia, Dianzeng; Guo, Jixi","Synthesis, photochromic properties and thermal bleaching kinetics of pyrazolone phenylsemicarbazones containing a thiophene ring","New Journal of Chemistry","2013","37","8","2351","","10.1039/c3nj00241a","","","0.71073","MoKα","","0.1096","0.067","","","0.1671","0.1844","","","","","","1.057","","","","has coordinates","180095","2020-10-21","18:00:00",""
"7108693","21.244","0.002","21.244","0.002","21.244","0.002","90","","90","","90","","9587.6","1.6","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C68 H116 Cl2 Mn6 N6 O25 P8 -","- C68 H114 Cl2 Mn6 N6 O25 P8 -","- C272 H456 Cl8 Mn24 N24 O100 P32 -","4","0.166667","","Lei Zhang; Bartosz Marzec; Rodolphe Clerac; Yanhui Chen; Hongzhou Zhang; Wolfgang Schmitt","Supramolecular approaches to metal-organic gels using 'Chevrel-type' coordination clusters as building units","Chem.Commun.","2013","49","","66","","10.1039/c2cc35486a","","","0.71073","MoKα","","0.0966","0.0934","","","0.2004","0.2019","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108694","24.577","0.005","35.726","0.007","14.376","0.003","90","","103.59","0.03","90","","12269","5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H112 Cl5 Mn7 N6 O29 P8 -","- C62 H102 Cl5 Mn7 N6 O25.5 P8 -","- C248 H408 Cl20 Mn28 N24 O102 P32 -","4","1","","Lei Zhang; Bartosz Marzec; Rodolphe Clerac; Yanhui Chen; Hongzhou Zhang; Wolfgang Schmitt","Supramolecular approaches to metal-organic gels using ‘Chevrel-type’ coordination clusters as building units","Chem.Commun.","2013","49","","66","","10.1039/c2cc35486a","","","0.71073","MoKα","","0.1451","0.1093","","","0.3338","0.3693","","","","","","0.982","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108695","23.109","0.005","17.421","0.003","14.25","0.003","90","","128.07","0.03","90","","4516","2","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C62 H100 Cl2 Mn6 N6 O24 P8 -","- C62 H100 Cl2 Mn6 N6 O24 P8 -","- C124 H200 Cl4 Mn12 N12 O48 P16 -","2","0.25","","Lei Zhang; Bartosz Marzec; Rodolphe Clerac; Yanhui Chen; Hongzhou Zhang; Wolfgang Schmitt","Supramolecular approaches to metal-organic gels using ‘Chevrel-type’ coordination clusters as building units","Chem.Commun.","2013","49","","66","","10.1039/c2cc35486a","","","0.71073","MoKα","","0.1116","0.0862","","","0.2223","0.2361","","","","","","1.067","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108696","14.133","0.002","14.133","0.002","21.552","0.004","90","","90","","90","","4304.8","1.2","150","2","150","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C36 H96 Cl2 Mn6 N0 O32 P8 -","- C36 H80 Cl2.04 Mn6 O32 P8 -","- C72 H160 Cl4.08 Mn12 O64 P16 -","2","0.125","","Lei Zhang; Bartosz Marzec; Rodolphe Clerac; Yanhui Chen; Hongzhou Zhang; Wolfgang Schmitt","Supramolecular approaches to metal-organic gels using ‘Chevrel-type’ coordination clusters as building units","Chem.Commun.","2013","49","","66","","10.1039/c2cc35486a","","","0.71073","MoKα","","0.0661","0.0631","","","0.1816","0.185","","","","","","1.036","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108697","52.51","0.02","15.806","0.003","23.396","0.005","90","","116.45","0.02","90","","17385","9","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H96 Cl2 Mn6 N4 O30 P8 -","- C56 H96 Cl2 Mn6 N4 O30 P8 -","- C448 H768 Cl16 Mn48 N32 O240 P64 -","8","1","","Lei Zhang; Bartosz Marzec; Rodolphe Clerac; Yanhui Chen; Hongzhou Zhang; Wolfgang Schmitt","Supramolecular approaches to metal-organic gels using ‘Chevrel-type’ coordination clusters as building units","Chem.Commun.","2013","49","","66","","10.1039/c2cc35486a","","","0.71073","MoKα","","0.1201","0.0747","","","0.1842","0.1989","","","","","","1.04","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108698","22.539","0.003","27.768","0.004","28.619","0.003","90","","121.916","0.008","90","","15204","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","SC-EDG-07-2012-020966","","","- C96 H170 Gd12 Mo4 N6 O82 -","- C94 H106 Gd12 Mo4 N6 O73 -","- C376 H424 Gd48 Mo16 N24 O292 -","4","1","","Yong Zheng; Qian-Chong Zhang; La-Sheng Long; Rong-Bin Huang; Achim Muller; Jurgen Schnack; Lan-Sun Zheng; Zhiping Zheng","Molybdate templated assembly of Ln12Mo4-type clusters (Ln = Sm, Eu, Gd) containing a truncated tetrahedron core","Chem.Commun.","2013","49","","36","","10.1039/c2cc36530h","","","0.71073","MoKα","","0.1043","0.073","","","0.1829","0.1989","","","","","","0.967","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108699","22.5903","0.0002","27.7436","0.0003","28.6154","0.0004","90","","122.041","0.001","90","","15202.4","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H170 Eu12 Mo4 N6 O82 -","- C96 H112 Eu12 Mo4 N6 O76 -","- C384 H448 Eu48 Mo16 N24 O304 -","4","1","","Yong Zheng; Qian-Chong Zhang; La-Sheng Long; Rong-Bin Huang; Achim Muller; Jurgen Schnack; Lan-Sun Zheng; Zhiping Zheng","Molybdate templated assembly of Ln12Mo4-type clusters (Ln = Sm, Eu, Gd) containing a truncated tetrahedron core","Chem.Commun.","2013","49","","36","","10.1039/c2cc36530h","","","0.71073","MoKα","","0.0567","0.0438","","","0.0968","0.1009","","","","","","1.097","","","","has coordinates","180190","2020-10-21","18:00:00",""
"7108700","22.588","0.0002","27.831","0.0003","28.6716","0.0004","90","","121.965","0.001","90","","15291.3","0.3","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H170 Mo4 N6 O82 Sm12 -","- C96 H106 Mo4 N6 O77 Sm12 -","- C384 H424 Mo16 N24 O308 Sm48 -","4","1","","Yong Zheng; Qian-Chong Zhang; La-Sheng Long; Rong-Bin Huang; Achim Muller; Jurgen Schnack; Lan-Sun Zheng; Zhiping Zheng","Molybdate templated assembly of Ln12Mo4-type clusters (Ln = Sm, Eu, Gd) containing a truncated tetrahedron core","Chem.Commun.","2013","49","","36","","10.1039/c2cc36530h","","","0.71073","MoKα","","0.0605","0.0479","","","0.1004","0.1047","","","","","","1.12","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108701","18.31","0.006","18.31","0.006","23.222","0.011","90","","90","","90","","7785","5","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C16 H12 O16 P2 Zn3 -","- C16 H12 O16 P2 Zn3 -","- C128 H96 O128 P16 Zn24 -","8","0.5","","Yun Ling; Mingli Deng; Zhenxia Chen; Bing Xia; Xiaofeng Liu; Yongtai Yang; Yaming Zhou; Linhong Weng","Enhancing CO2 adsorption of a Zn_phosphonocarboxylate framework by pore space partitions","Chem.Commun.","2013","49","","78","","10.1039/c2cc37174j","","","0.71073","MoKα","","0.0458","0.0402","","","0.1471","0.1489","","","","","","1.187","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108702","18.45","0.004","18.45","0.004","23.201","0.007","90","","90","","90","","7898","3","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C20 H24 N O19 P2 Zn3 -","- C20 H24 N O19 P2 Zn3 -","- C160 H192 N8 O152 P16 Zn24 -","8","0.5","","Yun Ling; Mingli Deng; Zhenxia Chen; Bing Xia; Xiaofeng Liu; Yongtai Yang; Yaming Zhou; Linhong Weng","Enhancing CO2 adsorption of a Zn_phosphonocarboxylate framework by pore space partitions","Chem.Commun.","2013","49","","78","","10.1039/c2cc37174j","","","0.71073","MoKα","","0.0696","0.0558","","","0.1367","0.1426","","","","","","0.993","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108703","18.453","0.007","18.453","0.007","23.283","0.012","90","","90","","90","","7928","6","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C21 H31 N O20 P2 Zn3 -","- C21 H18 N O20 P2 Zn3 -","- C168 H144 N8 O160 P16 Zn24 -","8","0.5","","Yun Ling; Mingli Deng; Zhenxia Chen; Bing Xia; Xiaofeng Liu; Yongtai Yang; Yaming Zhou; Linhong Weng","Enhancing CO2 adsorption of a Zn_phosphonocarboxylate framework by pore space partitions","Chem.Commun.","2013","49","","78","","10.1039/c2cc37174j","","","0.71073","MoKα","","0.0724","0.0534","","","0.1496","0.1561","","","","","","1.006","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108704","11.5499","0.0006","13.1813","0.0006","26.74","0.001","90","","102.394","0.003","90","","3976.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N2 O4 Ti -","- C18 H26 N2 O4 Ti -","- C144 H208 N16 O32 Ti8 -","8","2","","Ruth L. Webster; Nazbanoo Noroozi; Savvas G. Hatzikiriakos; Jaclyn A. Thomson; Laurel L. Schafer","Titanium pyridonates and amidates: novel catalysts for the synthesis of random copolymers","Chem.Commun.","2013","49","","57","","10.1039/c2cc37201k","","x-ray","0.71073","MoKα","","0.0564","0.0385","","","0.0835","0.0905","","","","","","1.037","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108705","18.3037","0.0009","11.1158","0.0005","18.8563","0.0009","90","","107.559","0.001","90","","3657.8","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H56 Ce N4 Si8 -","- C16 H56 Ce N4 Si8 -","- C64 H224 Ce4 N16 Si32 -","4","1","","Alan R. Crozier; Andre M. Bienfait; Cacilia Maichle-Mossmer; Karl W. Tornroos; Reiner Anwander","A homoleptic tetravalent cerium silylamide","Chem.Commun.","2013","49","","87","","10.1039/c2cc37404h","","","0.71073","MoKα","","0.0279","0.0243","","","0.0636","0.0662","","","","","","1.058","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108706","17.281","0.0006","25.5225","0.0009","19.8095","0.0007","90","","100.203","0.0004","90","","8598.9","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H112 Ce5 Cl7 N8 Si16 -","- C32 H112 Ce5 Cl7 N8 Si16 -","- C128 H448 Ce20 Cl28 N32 Si64 -","4","0.5","","Alan R. Crozier; Andre M. Bienfait; Cacilia Maichle-Mossmer; Karl W. Tornroos; Reiner Anwander","A homoleptic tetravalent cerium silylamide","Chem.Commun.","2013","49","","87","","10.1039/c2cc37404h","","","0.71073","MoKα","","0.0241","0.021","","","0.0532","0.0549","","","","","","1.029","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108707","15.253","0.003","19.437","0.004","15.846","0.003","90","","106.39","0.03","90","","4507","1.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85.5 H108 Cd2 I4 N4 -","- C85.5 H108 Cd2 I4 N4 -","- C171 H216 Cd4 I8 N8 -","2","0.5","","Mengtao Ma; Anastas Sidiropoulos; Lalrempuia Ralte; Andreas Stasch; Cameron Jones","Metal-only Lewis pairs featuring unsupported Pt>M (M = Zn or Cd) dative bonds","Chem.Commun.","2013","49","","48","","10.1039/c2cc37442k","","","0.71073","MoKα","","0.0853","0.0488","","","0.1284","0.1489","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108708","10.707","0.002","12.313","0.003","16.081","0.003","70.83","0.03","88.76","0.03","66.98","0.03","1829.1","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H96 Br4 N4 Zn2 -","- C78 H96 Br4 N4 Zn2 -","- C78 H96 Br4 N4 Zn2 -","1","0.5","","Mengtao Ma; Anastas Sidiropoulos; Lalrempuia Ralte; Andreas Stasch; Cameron Jones","Metal-only Lewis pairs featuring unsupported Pt>M (M = Zn or Cd) dative bonds","Chem.Commun.","2013","49","","48","","10.1039/c2cc37442k","","","0.71073","MoKα","","0.071","0.0448","","","0.1103","0.1226","","","","","","1.028","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108709","16.7915","0.0008","10.9089","0.0017","23.5671","0.0014","90","","93.615","0.005","90","","4308.4","0.7","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H72 Br2 P2 Pt Zn -","- C42 H72 Br2 P2 Pt Zn -","- C168 H288 Br8 P8 Pt4 Zn4 -","4","0.5","","Mengtao Ma; Anastas Sidiropoulos; Lalrempuia Ralte; Andreas Stasch; Cameron Jones","Metal-only Lewis pairs featuring unsupported Pt>M (M = Zn or Cd) dative bonds","Chem.Commun.","2013","49","","48","","10.1039/c2cc37442k","","","0.71073","MoKα","","0.0356","0.0251","","","0.0489","0.0523","","","","","","1.063","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108710","17.011","0.003","11.399","0.002","23.647","0.005","90","","92.39","0.03","90","","4581.4","1.5","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C43 H74 Cd I2 P2 Pt -","- C43 H74 Cd I2 P2 Pt -","- C172 H296 Cd4 I8 P8 Pt4 -","4","1","","Mengtao Ma; Anastas Sidiropoulos; Lalrempuia Ralte; Andreas Stasch; Cameron Jones","Metal-only Lewis pairs featuring unsupported Pt>M (M = Zn or Cd) dative bonds","Chem.Commun.","2013","49","","48","","10.1039/c2cc37442k","","","0.71073","MoKα","","0.021","0.0192","","","0.0404","0.0413","","","","","","1.027","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108711","13.4975","0.0005","13.431","0.0003","23.4845","0.0008","90","","107.18","0.003","90","","4067.4","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 Hg I2 P2 Pt -","- C35.99 H66 Hg I2 P2 Pt -","- C143.96 H264 Hg4 I8 P8 Pt4 -","4","1","","Mengtao Ma; Anastas Sidiropoulos; Lalrempuia Ralte; Andreas Stasch; Cameron Jones","Metal-only Lewis pairs featuring unsupported Pt>M (M = Zn or Cd) dative bonds","Chem.Commun.","2013","49","","48","","10.1039/c2cc37442k","","","0.71073","MoKα","","0.0309","0.0233","","","0.045","0.0481","","","","","","1.07","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108712","8.4713","0.0009","10.5851","0.0007","10.672","0.0011","109.911","0.007","94.902","0.008","109.903","0.007","823.76","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 B2 O6 Si2 -","- C30 H46 B2 O6 Si2 -","- C30 H46 B2 O6 Si2 -","1","0.5","","Mirela Pascu; Albert Ruggi; Rosario Scopelliti; Kay Severin","Synthesis of borasiloxane-based macrocycles by multicomponent condensation reactions in solution or in a ball mill","Chem.Commun.","2013","49","","45","","10.1039/c2cc37538a","","","0.71073","MoKα","","0.0682","0.0485","","","0.1089","0.1194","","","","","","1.078","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108713","25.573","0.004","6.9899","0.001","28.737","0.005","90","","105.123","0.007","90","","4958.9","1.4","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 N4 O14 S4 -","- C52 H62 N4 O14 S4 -","- C208 H248 N16 O56 S16 -","4","0.5","","Wei Yu; Xiao-Ye Wang; Jing Li; Zhi-Ting Li; Yu-Kun Yan; Wei Wang; Jian Pei","A photoconductive charge-transfer crystal with mixed-stacking donor-acceptor heterojunctions within the lattice","Chem.Commun.","2013","49","","54","","10.1039/c2cc37655e","","","0.71073","MoKα","","0.0664","0.0473","","","0.1306","0.1488","","","","","","1.025","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108714","42.455","0.009","9.0245","0.0018","8.5542","0.0017","90","","97.96","0.03","90","","3245.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H36 N4 O8 S2 -","- C32 H36 N4 O8 S2 -","- C128 H144 N16 O32 S8 -","4","0.5","","Ji Young Jung; Minkyung Kang; Jihyun Chun; Jungha Lee; Jaemee Kim; Jinheung Kim; Youngmee Kim; Sung-Jin Kim; Chongmok Lee; Juyoung Yoon","A thiazolothiazole based Cu2+ selective colorimetric and fluorescent sensor via unique radical formation","Chem.Commun.","2013","49","","176","","10.1039/c2cc36626f","","","0.71073","MoKα","","0.1402","0.0549","","","0.1113","0.1359","","","","","","1.004","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108715","34.779","0.004","38.186","0.004","47.98","0.005","90","","90","","90","","63721","12","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C90 Ba10 Br N18 O158 V48 -","- C90 Ba10 Br N18 O158 V48 -","- C720 Ba80 Br8 N144 O1264 V384 -","8","0.25","","Katharina Kastner; Bianka Puscher; Carsten Streb","Self-assembly of a tetrahedral 58-nuclear barium vanadium oxide cluster","Chem.Commun.","2013","49","","140","","10.1039/c2cc36638j","","","0.71073","MoKα","","0.081","0.0592","","","0.1787","0.1938","","","","","","1.091","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108716","15.469","0.004","9.292","0.002","8.889","0.002","90","","97.463","0.003","90","","1266.9","0.5","123","2","123","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C16 H30 Cl4 Dy0.87 N2 O7 Yb1.13 -","- C16 H30 Cl4 Dy0.86 N2 O7 Yb1.14 -","- C32 H60 Cl8 Dy1.72 N4 O14 Yb2.28 -","2","0.25","","Ji-Dong Leng; Jun-Liang Liu; Yan-Zhen Zheng; Liviu Ungur; Liviu F. Chibotaru; Fu-Sheng Guo; Ming-Liang Tong","Relaxations in heterolanthanide dinuclear single-molecule magnets","Chem.Commun.","2013","49","","158","","10.1039/c2cc37036k","","","0.71073","MoKα","","0.0233","0.0218","","","0.049","0.0499","","","","","","1.026","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108717","15.546","0.002","9.2831","0.0014","8.8893","0.0014","90","","97.267","0.002","90","","1272.6","0.3","123","2","123","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H30 Cl4 Dy2 N2 O7 -","- C16 H30 Cl4 Dy2 N2 O7 -","- C32 H60 Cl8 Dy4 N4 O14 -","2","0.25","","Ji-Dong Leng; Jun-Liang Liu; Yan-Zhen Zheng; Liviu Ungur; Liviu F. Chibotaru; Fu-Sheng Guo; Ming-Liang Tong","Relaxations in heterolanthanide dinuclear single-molecule magnets","Chem.Commun.","2013","49","","158","","10.1039/c2cc37036k","","","0.71073","MoKα","","0.0225","0.0208","","","0.0472","0.0482","","","","","","1.065","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108718","15.378","0.003","9.2501","0.0016","8.8674","0.0016","90","","97.534","0.002","90","","1250.5","0.4","123","2","123","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H30 Cl4 N2 O7 Yb2 -","- C16 H30 Cl4 N2 O7 Yb2 -","- C32 H60 Cl8 N4 O14 Yb4 -","2","0.25","","Ji-Dong Leng; Jun-Liang Liu; Yan-Zhen Zheng; Liviu Ungur; Liviu F. Chibotaru; Fu-Sheng Guo; Ming-Liang Tong","Relaxations in heterolanthanide dinuclear single-molecule magnets","Chem.Commun.","2013","49","","158","","10.1039/c2cc37036k","","","0.71073","MoKα","","0.0196","0.019","","","0.0492","0.0495","","","","","","1.112","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108719","18.652","0.006","20.353","0.006","20.196","0.006","90","","105.244","0.006","90","","7397","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 N8 Se20 Sn9 -","- C32 H60 N8 Se20 Sn9 -","- C128 H240 N32 Se80 Sn36 -","4","1","","Jian-Rong Li; Wei-Wei Xiong; Zai-Lai Xie; Cheng-Feng Du; Guo-Dong Zou; Xiao-Ying Huang","From selenidostannates to silver-selenidostannate: structural variation of chalcogenidometallates synthesized in ionic liquids","Chem.Commun.","2013","49","","181","","10.1039/c2cc37051d","","","0.71073","MoKα","","0.0884","0.0594","","","0.1359","0.1523","","","","","","1.077","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108720","14.27","0.005","15.549","0.006","14.377","0.005","90","","92.749","0.007","90","","3186","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N4 Se7 Sn3 -","- C16 H30 N4 Se7 Sn3 -","- C64 H120 N16 Se28 Sn12 -","4","1","","Jian-Rong Li; Wei-Wei Xiong; Zai-Lai Xie; Cheng-Feng Du; Guo-Dong Zou; Xiao-Ying Huang","From selenidostannates to silver-selenidostannate: structural variation of chalcogenidometallates synthesized in ionic liquids","Chem.Commun.","2013","49","","181","","10.1039/c2cc37051d","","","0.71073","MoKα","","0.0661","0.0481","","","0.1075","0.119","","","","","","1.056","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108721","13.947","0.0003","13.947","0.0003","27.8553","0.0008","90","","90","","120","","4692.5","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C16 H30 N4 Se7 Sn3 -","- C16 H30 N4 Se7 Sn3 -","- C96 H180 N24 Se42 Sn18 -","6","1","","Jian-Rong Li; Wei-Wei Xiong; Zai-Lai Xie; Cheng-Feng Du; Guo-Dong Zou; Xiao-Ying Huang","From selenidostannates to silver-selenidostannate: structural variation of chalcogenidometallates synthesized in ionic liquids","Chem.Commun.","2013","49","","181","","10.1039/c2cc37051d","","","0.71073","MoKα","","0.0826","0.0519","","","0.1099","0.1262","","","","","","1.069","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108722","24.538","0.004","13.961","0.002","19.434","0.004","90","","94.539","0.003","90","","6637","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 N4 Se7 Sn3 -","- C18 H34 N4 Se7 Sn3 -","- C144 H272 N32 Se56 Sn24 -","8","2","","Jian-Rong Li; Wei-Wei Xiong; Zai-Lai Xie; Cheng-Feng Du; Guo-Dong Zou; Xiao-Ying Huang","From selenidostannates to silver-selenidostannate: structural variation of chalcogenidometallates synthesized in ionic liquids","Chem.Commun.","2013","49","","181","","10.1039/c2cc37051d","","","0.71073","MoKα","","0.0597","0.0443","","","0.1095","0.1196","","","","","","1.091","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108723","13.9329","0.0009","13.9329","0.0009","28.159","0.003","90","","90","","120","","4734","0.7","293","2","293","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H34 N4 Se7 Sn3 -","- Se7 Sn3 -","- Se42 Sn18 -","6","1","","Jian-Rong Li; Wei-Wei Xiong; Zai-Lai Xie; Cheng-Feng Du; Guo-Dong Zou; Xiao-Ying Huang","From selenidostannates to silver-selenidostannate: structural variation of chalcogenidometallates synthesized in ionic liquids","Chem.Commun.","2013","49","","181","","10.1039/c2cc37051d","","","0.71073","MoKα","","0.0639","0.0442","","","0.1059","0.1123","","","","","","1.031","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108724","10.8983","0.0004","13.5554","0.0006","23.0906","0.001","88.904","0.003","86.7","0.003","68.23","0.004","3162.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H119 Ag N14 Se28 Sn12 -","- C63 H119 Ag N14 Se28 Sn12 -","- C63 H119 Ag N14 Se28 Sn12 -","1","0.5","","Jian-Rong Li; Wei-Wei Xiong; Zai-Lai Xie; Cheng-Feng Du; Guo-Dong Zou; Xiao-Ying Huang","From selenidostannates to silver-selenidostannate: structural variation of chalcogenidometallates synthesized in ionic liquids","Chem.Commun.","2013","49","","181","","10.1039/c2cc37051d","","","0.71073","MoKα","","0.0744","0.0438","","","0.0884","0.1017","","","","","","1.011","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108725","7.09","0.01","12.017","0.016","20.97","0.03","90","","93.51","0.03","90","","1783","4","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H18 N2 O4 S -","- C21 H18 N2 O4 S -","- C84 H72 N8 O16 S4 -","4","1","","Raju Adepu; Rajnikanth Sunke; Chandana L. T. Meda; D. Rambabu; G. Rama Krishna; C. Malla Reddy; Girdhar Singh Deora; Kishore V. L. Parsa; Manojit Pal","Facile assembly of two 6-membered fused N-heterocyclic rings: a rapid access to novel small molecules via Cu-mediated reaction","Chem.Commun.","2013","49","","190","","10.1039/c2cc37070k","","","0.71073","MoKα","","0.1146","0.0567","","","0.144","0.1749","","","","","","1.039","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108726","9.1005","0.0003","12.8251","0.0005","13.4859","0.0005","90","","90","","90","","1574","0.1","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O2 Si -","- C17 H24 O2 Si -","- C68 H96 O8 Si4 -","4","1","","Wei Chen; Jia-Hui Tay; Jun Ying; Michal Sabat; Xiao-Qi Yu; Lin Pu","A quick access to the spirotricyclic core analogue of mangicol A by a Rh(I)-catalyzed tandem Pauson-Khand/[4+2] cycloaddition","Chem.Commun.","2013","49","","170","","10.1039/c2cc37465j","","","0.71073","MoKα","","0.0308","0.0283","","","0.0955","0.1","","","","","","0.874","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108727","5.7877","0.0006","15.8468","0.0017","20.507","0.002","90","","90","","90","","1880.8","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Br O2 -","- C24 H19 Br O2 -","- C96 H76 Br4 O8 -","4","1","","Zhenqian Fu; Hui Sun; Shaojin Chen; Bhoopendra Tiwari; Guohui Li; Yonggui Robin Chi","Controlled beta-protonation and [4+2] cycloaddition of enals and chalcones via N-heterocyclic carbene/acid catalysis: toward substrate independent reaction control","Chem.Commun.","2013","49","","261","","10.1039/c2cc36564b","","","0.71073","MoKα","","0.07","0.0479","","","0.1028","0.143","","","","","","1.075","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108728","26.602","0.004","5.8933","0.0009","17.336","0.003","90","","101.602","0.003","90","","2662.3","0.7","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N O -","- C36 H27 N O -","- C144 H108 N4 O4 -","4","1","","Bingjia Xu; Mingyuan Xie; Jiajun He; Bin Xu; Zhenguo Chi; Wenjing Tian; Long Jiang; Fuli Zhao; Siwei Liu; Yi Zhang; Zhizhan Xu; Jiarui Xu","An aggregation-induced emission luminophore with multi-stimuli single- and two-photon fluorescence switching and large two-photon absorption cross section","Chem.Commun.","2013","49","","273","","10.1039/c2cc36806d","","","0.71073","MoKα","","0.0569","0.0384","","","0.0899","0.0999","","","","","","1.027","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108729","8.813","0.005","13.538","0.006","17.461","0.01","105.39","0.07","100.24","0.05","108.83","0.05","1820","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H62 N4 O3 S -","- C34 H62 N4 O3 S -","- C68 H124 N8 O6 S2 -","2","1","","Cally J. E. Haynes; Stuart N. Berry; Joachim Garric; Julie Herniman; Jennifer R. Hiscock; Isabelle L. Kirby; Mark E. Light; Gregory Perkes; Philip A. Gale","Small neutral molecular carriers for selective carboxylate transport","Chem.Commun.","2013","49","","246","","10.1039/c2cc37468d","","","0.71073","MoKα","","0.1635","0.1237","","","0.3045","0.3303","","","","","","1.085","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108730","11.9608","0.0015","12.2067","0.0015","19.129","0.002","83.566","0.002","82.709","0.002","71.195","0.002","2614.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H133 N18 O44 P7 W12 -","- C49 H123 N18 O44 P7 W12 -","- C49 H123 N18 O44 P7 W12 -","1","0.5","","Michael Craven; Rana Yahya; Elena Kozhevnikova; Ramamoorthy Boomishankar; Craig M. Robertson; Alexander Steiner; Ivan Kozhevnikov","Novel polyoxometalate-phosphazene aggregates and their use as catalysts for biphasic oxidations with hydrogen peroxide","Chem.Commun.","2013","49","","349","","10.1039/c2cc36793a","","","0.71073","MoKα","","0.1036","0.0822","","","0.1747","0.185","","","","","","0.985","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108731","20.11","0.003","18.245","0.003","24.298","0.004","90","","108.202","0.002","90","","8469","2","","","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C98 H252 N36 O42 P12 Si W12 -","- C98 H244 N36 O42 P12 Si W12 -","- C196 H488 N72 O84 P24 Si2 W24 -","2","0.5","","Michael Craven; Rana Yahya; Elena Kozhevnikova; Ramamoorthy Boomishankar; Craig M. Robertson; Alexander Steiner; Ivan Kozhevnikov","Novel polyoxometalate-phosphazene aggregates and their use as catalysts for biphasic oxidations with hydrogen peroxide","Chem.Commun.","2013","49","","349","","10.1039/c2cc36793a","","","0.71073","MoKα","","0.0985","0.0663","","","0.1628","0.1909","","","","","","1.037","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108732","14.6216","0.0012","23.3093","0.0019","15.2198","0.0012","90","","107.725","0.002","90","","4941","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H123 N18 O46 P7 W12 -","- C42 H99 N18 O46 P7 W12 -","- C84 H198 N36 O92 P14 W24 -","2","0.5","","Michael Craven; Rana Yahya; Elena Kozhevnikova; Ramamoorthy Boomishankar; Craig M. Robertson; Alexander Steiner; Ivan Kozhevnikov","Novel polyoxometalate-phosphazene aggregates and their use as catalysts for biphasic oxidations with hydrogen peroxide","Chem.Commun.","2013","49","","349","","10.1039/c2cc36793a","","","0.71073","MoKα","","0.0897","0.0893","","","0.1974","0.1976","","","","","","1.003","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108733","9.8116","0.0002","13.4845","0.0003","20.0259","0.0014","107.241","0.007","95.644","0.007","94.671","0.007","2501.1","0.2","85","","85","","","","","","","","","8","P -1","-P 1","2","","","","- C55 H51 Cl F6 N3 O3 P3 Ru -","- C55 H51 Cl F6 N3 O3 P3 Ru -","- C110 H102 Cl2 F12 N6 O6 P6 Ru2 -","2","1","","Cameron M. Moore; Nathaniel K. Szymczak","6,6'-Dihydroxy terpyridine: a proton-responsive bifunctional ligand and its application in catalytic transfer hydrogenation of ketones","Chem.Commun.","2013","49","","400","","10.1039/c2cc36927c","","","1.54187","CuKα","","0.0546","0.0521","","","0.1406","0.1434","","","","","","1.152","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108734","12.11","0.003","5.3559","0.0012","12.544","0.003","90","","93.203","0.004","90","","812.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 F3 O3 -","- C6 H9 F3 O3 -","- C24 H36 F12 O12 -","4","1","","Jose Luis Acena; Alexander E. Sorochinsky; Toshimasa Katagiri; Vadim A. Soloshonok","Unconventional preparation of racemic crystals of isopropyl 3,3,3-trifluoro-2-hydroxypropanoate and their unusual crystallographic structure: the ultimate preference for homochiral intermolecular interactions","Chem.Commun.","2013","49","","373","","10.1039/c2cc37491a","","","0.71073","MoKα","","0.0852","0.0612","","","0.1858","0.2058","","","","","","1.141","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108735","28.281","0.0008","28.281","0.0008","13.5488","0.0007","90","","90","","90","","10836.5","0.7","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H26 Ca N4 O9 -","- C24 H26 Ca N4 O9 -","- C384 H416 Ca16 N64 O144 -","16","1","","Lei Han; Lan Qin; Lanping Xu; Yan Zhou; Junliang Sun; Xiaodong Zou","A novel photochromic calcium-based metal-organic framework derived from a naphthalene diimide chromophore","Chem.Commun.","2013","49","","406","","10.1039/c2cc37497h","","","0.71073","MoKα","","0.1268","0.0613","","","0.1387","0.1529","","","","","","0.886","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108736","22.3265","0.0002","18.8039","0.0003","27.4531","0.0004","90","","94.39","","90","","11491.7","0.3","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 Ag6 N8 O72 Si2 W20 -","- C128.3 Ag6 N8 O72 Si2 W20 -","- C256.6 Ag12 N16 O144 Si4 W40 -","2","0.5","","Yuji Kikukawa; Yoshiyuki Kuroda; Kosuke Suzuki; Mitsuhiro Hibino; Kazuya Yamaguchi; Noritaka Mizuno","A discrete octahedrally shaped [Ag6]^4+^ cluster encapsulated within silicotungstate ligands","Chem.Commun.","2013","49","","376","","10.1039/c2cc37591e","","x-ray","0.71069","MoKα","","","0.0864","","","","0.2753","","","","","","1.107","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108737","6.622","0.005","20.485","0.015","17.748","0.013","90","","90","","90","","2408","3","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- Cs4 Mo5 O22 P2 -","- Cs4 Mo5 O22 P2 -","- Cs16 Mo20 O88 P8 -","4","0.5","","Ying Wang; Shilie Pan; Hongwei Yu; Xin Su; Min Zhang; Fangfang Zhang; Jian Han","Cs4Mo5P2O22: a first Strandberg-type POM with 1D straight chains of polymerized [Mo5P2O23]^6-^ units and moderate second harmonic generation response","Chem.Commun.","2013","49","","306","","10.1039/c2cc36354b","","","0.71073","MoKα","","0.0383","0.0314","","","0.0483","0.0503","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7108738","20.236","0.004","33.705","0.007","33.51","0.007","90","","92.29","0.03","90","","22837","8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C221 H163 Ag14 Cl10 F24 O2 P8 S12 -","- C221 H159 Ag14 Cl10 F24 O2 P8 S12 -","- C884 H636 Ag56 Cl40 F96 O8 P32 S48 -","4","1","","Huayan Yang; Jing Lei; Binghui Wu; Yu Wang; Meng Zhou; Andong Xia; Lansun Zheng; Nanfeng Zheng","Crystal structure of a luminescent thiolated Ag nanocluster with an octahedral Ag6^4+^ core","Chem.Commun.","2013","49","","300","","10.1039/c2cc37347e","","","0.71073","MoKα","","0.1475","0.0827","","","0.2097","0.2503","","","","","","1.039","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108739","12.0004","0.0012","12.2208","0.0012","18.0893","0.0017","85.468","0.007","71.607","0.006","83.252","0.007","2497.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H38 N4 O6 -","- C61 H25 N4 O6 -","- C122 H50 N8 O12 -","2","1","","Barnaby W. Greenland; Matthew B. Bird; Stefano Burattini; Rainer Cramer; Rachel K. O'Reilly; Joseph P. Patterson; Wayne Hayes; Christine J. Cardin; Howard M. Colquhoun","Mutual binding of polymer end-groups by complementary pi-pi-stacking: a molecular 'Roman Handshake'","Chem.Commun.","2013","49","","454","","10.1039/c2cc35965k","","","0.7749","","","0.1334","0.0941","","","0.2516","0.272","","","","","","1.136","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108740","6.7471","0.0013","7.6434","0.0015","16.409","0.003","90","","92.649","0.003","90","","845.3","0.3","10","2","10","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Copper(ii) difluoride dihydrate 3-chloropyridine","","","- C5 H8 Cl Cu F2 N O2 -","- C5 H8 Cl Cu F2 N O2 -","- C20 H32 Cl4 Cu4 F8 N4 O8 -","4","1","","Saul H. Lapidus; Jamie L. Manson; Hyunsoo Park; Alexander J. Clement; Saman Ghannadzadeh; Paul Goddard; Tom Lancaster; Johannes S. Moller; Stephen J. Blundell; Mark T. F. Telling; Jinhee Kang; Myung-Hwan Whangbo; John A. Schlueter","Antiferromagnetic ordering through a hydrogen-bonded network in the molecular solid CuF2(H2O)2(3-chloropyridine)","Chem.Commun.","2013","49","","499","","10.1039/c2cc37444g","","x-ray","0.71073","MoKα","","0.0545","0.045","","","0.1578","0.1968","","","","","","1.164","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108741","6.767","0.0001","7.6416","0.0002","16.4281","0.0004","90","","91.723","0.001","90","","849.12","0.03","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Copper(ii) difluoride dihydrate 3-chloropyridine","","","- C5 H8 Cl Cu F2 N O2 -","- C5 H8 Cl Cu F2 N O2 -","- C20 H32 Cl4 Cu4 F8 N4 O8 -","4","1","","Saul H. Lapidus; Jamie L. Manson; Hyunsoo Park; Alexander J. Clement; Saman Ghannadzadeh; Paul Goddard; Tom Lancaster; Johannes S. Moller; Stephen J. Blundell; Mark T. F. Telling; Jinhee Kang; Myung-Hwan Whangbo; John A. Schlueter","Antiferromagnetic ordering through a hydrogen-bonded network in the molecular solid CuF2(H2O)2(3-chloropyridine)","Chem.Commun.","2013","49","","499","","10.1039/c2cc37444g","","x-ray","0.71073","MoKα","","0.0215","0.0205","","","0.058","0.0586","","","","","","1.209","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108742","16.4782","0.0003","6.8106","0.0001","7.6385","0.0002","90","","90","","90","","857.24","0.03","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Copper(ii) difluoride dihydrate 3-chloropyridine","","","- C5 H8 Cl Cu F2 N O2 -","- C5 H8 Cl Cu F2 N O2 -","- C20 H32 Cl4 Cu4 F8 N4 O8 -","4","0.5","","Saul H. Lapidus; Jamie L. Manson; Hyunsoo Park; Alexander J. Clement; Saman Ghannadzadeh; Paul Goddard; Tom Lancaster; Johannes S. Moller; Stephen J. Blundell; Mark T. F. Telling; Jinhee Kang; Myung-Hwan Whangbo; John A. Schlueter","Antiferromagnetic ordering through a hydrogen-bonded network in the molecular solid CuF2(H2O)2(3-chloropyridine)","Chem.Commun.","2013","49","","499","","10.1039/c2cc37444g","","x-ray","0.71073","MoKα","","0.0212","0.0205","","","0.0543","0.055","","","","","","1.15","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108743","16.5192","0.0003","6.8693","0.0001","7.6288","0.0001","90","","90","","90","","865.68","0.02","296","2","296","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Copper(ii) difluoride dihydrate 3-chloropyridine","","","- C5 H8 Cl Cu F2 N O2 -","- C5 H8 Cl Cu F2 N O2 -","- C20 H32 Cl4 Cu4 F8 N4 O8 -","4","0.5","","Saul H. Lapidus; Jamie L. Manson; Hyunsoo Park; Alexander J. Clement; Saman Ghannadzadeh; Paul Goddard; Tom Lancaster; Johannes S. Moller; Stephen J. Blundell; Mark T. F. Telling; Jinhee Kang; Myung-Hwan Whangbo; John A. Schlueter","Antiferromagnetic ordering through a hydrogen-bonded network in the molecular solid CuF2(H2O)2(3-chloropyridine)","Chem.Commun.","2013","49","","499","","10.1039/c2cc37444g","","x-ray","0.71073","MoKα","","0.0304","0.0292","","","0.077","0.0779","","","","","","1.155","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108744","32.807","0.003","20.7165","0.001","27.943","0.003","90","","130.18","0.017","90","","14510","4","140","2","140","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C74 H102 Br3 O11 -","- C74 H102.001 Br3.0007 O11 -","- C592 H816.011 Br24.0056 O88 -","8","1","","Lingyan Gao; Chengyou Han; Bo Zheng; Shengyi Dong; Feihe Huang","Formation of a pillar[5]arene‒based [3]pseudorotaxane in solution and in the solid state","Chem.Commun.","2013","49","","472","","10.1039/c2cc37646f","","","0.71073","MoKα","","0.1805","0.0843","","","0.2048","0.2659","","","","","","1.004","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108745","12.065","0.002","12.172","0.002","13.88","0.003","92.523","0.004","99.861","0.005","95.377","0.004","1995.6","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C80 H108 N4 O24 -","4","2","","Mallu Chenna Reddy; Masilamani Jeganmohan","Ruthenium-catalyzed highly regio- and stereoselective hydroarylation of aryl carbamates with alkynes via C-H bond activation","Chem.Commun.","2013","49","","481","","10.1039/c2cc37758f","","","0.71073","MoKα","","0.1416","0.0956","","","0.2683","0.2977","","","","","","1.828","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108746","23.015","0.007","5.8478","0.0019","17.37","0.006","90","","112.391","0.006","90","","2161.5","1.2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C112 H96 O24 -","8","1","","Mallu Chenna Reddy; Masilamani Jeganmohan","Ruthenium-catalyzed highly regio- and stereoselective hydroarylation of aryl carbamates with alkynes via C-H bond activation","Chem.Commun.","2013","49","","481","","10.1039/c2cc37758f","","","0.71073","MoKα","","0.1649","0.0564","","","0.1305","0.1865","","","","","","0.869","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108747","9.6708","0.0002","16.3872","0.0003","9.221","0.0002","90","","117.851","0.0006","90","","1292.05","0.05","","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H3 La O11 P3 -","- C6 H3 La O11 P3 -","- C24 H12 La4 O44 P12 -","4","1","","Takahiro Araki; Atsushi Kondo; Kazuyuki Maeda","The first lanthanide organophosphonate nanosheet by exfoliation of layered compounds","Chem.Commun.","2013","49","","552","","10.1039/c2cc36703c","powder diffraction","","0.79788","","","0.00916","","","","","","0.00924","0.01657","1.5528","","","","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108748","6.3108","0.0013","12.639","0.003","15.631","0.003","95.723","0.003","99.878","0.004","97.86","0.004","1207","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 O22 Zn5 -","- C42 H30 O22 Zn5 -","- C42 H30 O22 Zn5 -","1","0.5","","Jiehu Cui; Yizhi Li; Zijian Guo; Hegen Zheng","A porous metal-organic framework based on Zn6O2 clusters:: chemical stability, gas adsorption properties and solvatochromic behavior","Chem.Commun.","2013","49","","555","","10.1039/c2cc36713k","","","0.71073","MoKα","","0.0494","0.0423","","","0.1177","0.122","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7108749","6.3303","0.0004","12.6819","0.0008","15.6877","0.001","95.711","0.001","99.773","0.001","97.973","0.001","1219.33","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H38 O24 Zn5 -","- C45 H38 O24 Zn5 -","- C45 H38 O24 Zn5 -","1","0.5","","Jiehu Cui; Yizhi Li; Zijian Guo; Hegen Zheng","A porous metal-organic framework based on Zn6O2 clusters:: chemical stability, gas adsorption properties and solvatochromic behavior","Chem.Commun.","2013","49","","555","","10.1039/c2cc36713k","","","0.71073","MoKα","","0.0519","0.0462","","","0.1486","0.154","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7108750","7.7643","0.0005","24.1282","0.0015","15.4992","0.001","90","","98.4921","0.0008","90","","2871.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","marinopyrrole B","","","- C29 H19 Br Cl4 N2 O4 -","- C29 H19 Br Cl4 N2 O4 -","- C116 H76 Br4 Cl16 N8 O16 -","4","1","","Ping Cheng; Derrick L. J. Clive; Shimal Fernandopulle; Zhenhua Chen","Racemic marinopyrrole B by total synthesis","Chem.Commun.","2013","49","","558","","10.1039/c2cc37110c","","","0.71073","MoKα","","0.0429","0.0302","","","0.0725","0.0782","","","","","","1.027","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108751","7.5864","0.0004","9.0677","0.0005","12.2844","0.0007","77.0064","0.0006","75.9683","0.0006","65.5279","0.0006","738.75","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Br Cl2 N2 O4 -","- C12 H9 Br Cl2 N2 O4 -","- C24 H18 Br2 Cl4 N4 O8 -","2","1","","Ping Cheng; Derrick L. J. Clive; Shimal Fernandopulle; Zhenhua Chen","Racemic marinopyrrole B by total synthesis","Chem.Commun.","2013","49","","558","","10.1039/c2cc37110c","","","0.71073","MoKα","","0.0276","0.0246","","","0.0647","0.0662","","","","","","1.063","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108752","5.3872","0.0001","10.221","0.0002","14.5246","0.0003","90.2868","0.0007","94.2793","0.0005","100.625","0.0005","783.72","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H12 Br Cl2 N O5 -","- C13 H12 Br Cl2 N O5 -","- C26 H24 Br2 Cl4 N2 O10 -","2","1","","Ping Cheng; Derrick L. J. Clive; Shimal Fernandopulle; Zhenhua Chen","Racemic marinopyrrole B by total synthesis","Chem.Commun.","2013","49","","558","","10.1039/c2cc37110c","","","1.54178","CuKα","","0.0435","0.0422","","","0.1156","0.1221","","","","","","1.161","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108753","9.1565","0.0004","13.5338","0.0006","15.7518","0.0007","65.1442","0.0005","83.7108","0.0005","81.8745","0.0005","1750.67","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H37 Br Cl2 N2 O7 S -","- C35 H37 Br Cl2 N2 O7 S -","- C70 H74 Br2 Cl4 N4 O14 S2 -","2","1","","Ping Cheng; Derrick L. J. Clive; Shimal Fernandopulle; Zhenhua Chen","Racemic marinopyrrole B by total synthesis","Chem.Commun.","2013","49","","558","","10.1039/c2cc37110c","","","0.71073","MoKα","","0.0383","0.0317","","","0.0848","0.0882","","","","","","1.034","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108754","8.436","0.004","14.318","0.007","17.219","0.009","90","","93.109","0.005","90","","2076.8","1.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O5 -","- C25 H23 N O5 -","- C100 H92 N4 O20 -","4","1","","Ping-Xin Zhou; Zhao-Zhao Zhou; Zi-Sheng Chen; Yu-Ying Ye; Lian-Biao Zhao; Yan-Fang Yang; Xiao-Feng Xia; Jian-Yi Luo; Yong-Min Liang","Palladium-catalyzed insertion of alpha-diazocarbonyl compounds for the synthesis of cyclic amino esters","Chem.Commun.","2013","49","","561","","10.1039/c2cc37464a","","","0.71073","MoKα","","0.0853","0.0492","","","0.1341","0.1655","","","","","","0.963","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108755","10.343","0.01","9.614","0.009","20.75","0.02","90","","101.745","0.011","90","","2020","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Ping-Xin Zhou; Zhao-Zhao Zhou; Zi-Sheng Chen; Yu-Ying Ye; Lian-Biao Zhao; Yan-Fang Yang; Xiao-Feng Xia; Jian-Yi Luo; Yong-Min Liang","Palladium-catalyzed insertion of alpha-diazocarbonyl compounds for the synthesis of cyclic amino esters","Chem.Commun.","2013","49","","561","","10.1039/c2cc37464a","","","0.71073","MoKα","","0.1349","0.0901","","","0.2854","0.3272","","","","","","1.139","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108756","28.8536","0.0007","27.2438","0.0007","7.57981","0.00019","90","","90","","90","","5958.3","0.3","120","","120","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C13 H21 Ga N3 O6.5 -","- C13 H21 Ga N3 O6.5 -","- C208 H336 Ga16 N48 O104 -","16","1","","Bradley P. Waldron; David Parker; Carsten Burchardt; Dmitry S. Yufit; Melanie Zimny; Frank Roesch","Structure and stability of hexadentate complexes of ligands based on AAZTA for efficient PET labelling with gallium-68","Chem.Commun.","2013","49","","579","","10.1039/c2cc37544c","","","0.7107","MoKα","Mo","0.0338","0.0307","","","0.0657","0.0674","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108757","7.58267","0.0002","12.6657","0.0003","9.2185","0.0002","90","","100.735","0.003","90","","869.85","0.04","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H26 Ga N3 O7 -","- C15 H26 Ga N3 O7 -","- C30 H52 Ga2 N6 O14 -","2","1","","Bradley P. Waldron; David Parker; Carsten Burchardt; Dmitry S. Yufit; Melanie Zimny; Frank Roesch","Structure and stability of hexadentate complexes of ligands based on AAZTA for efficient PET labelling with gallium-68","Chem.Commun.","2013","49","","579","","10.1039/c2cc37544c","","","0.7107","MoKα","Mo","0.0376","0.0322","","","0.067","0.0702","","","","","","1.044","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108758","10.6961","0.0008","13.0778","0.0012","13.8414","0.0012","116.076","0.009","105.208","0.007","92.002","0.007","1652.8","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Ga N3 O6 -","- C17 H20 Ga N3 O6 -","- C68 H80 Ga4 N12 O24 -","4","2","","Bradley P. Waldron; David Parker; Carsten Burchardt; Dmitry S. Yufit; Melanie Zimny; Frank Roesch","Structure and stability of hexadentate complexes of ligands based on AAZTA for efficient PET labelling with gallium-68","Chem.Commun.","2013","49","","579","","10.1039/c2cc37544c","","","0.7107","MoKα","Mo","0.1144","0.0699","","","0.1553","0.1864","","","","","","1.063","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108759","32.4876","0.0013","6.0545","0.0002","20.2683","0.0008","90","","111.467","0.01","90","","3710.1","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C160 H200 N24 O16 -","8","1","","Bradley P. Waldron; David Parker; Carsten Burchardt; Dmitry S. Yufit; Melanie Zimny; Frank Roesch","Structure and stability of hexadentate complexes of ligands based on AAZTA for efficient PET labelling with gallium-68","Chem.Commun.","2013","49","","579","","10.1039/c2cc37544c","","x-ray","0.71073","MoKα","K-L~3~","0.0671","0.0482","","","0.1252","0.1427","","","","","","1.03","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108760","8.8932","0.0002","19.1927","0.0005","15.3402","0.0003","90","","92.411","0.002","90","","2616.02","0.1","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 N3 O6 -","- C29 H35 N3 O6 -","- C116 H140 N12 O24 -","4","1","","Bradley P. Waldron; David Parker; Carsten Burchardt; Dmitry S. Yufit; Melanie Zimny; Frank Roesch","Structure and stability of hexadentate complexes of ligands based on AAZTA for efficient PET labelling with gallium-68","Chem.Commun.","2013","49","","579","","10.1039/c2cc37544c","","","0.7107","MoKα","","0.0663","0.0478","","","0.1084","0.1184","","","","","","1.038","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108761","11.5275","0.0005","13.2193","0.0005","19.2725","0.0008","97.135","0.002","95.251","0.002","96.738","0.002","2877.2","0.2","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C79.5 H57 Cl3 F12 N4 O16 S28 Yb2 -","- C79.38 H56.76 Cl2.76 F12 N4 O16 S28 Yb2 -","- C79.38 H56.76 Cl2.76 F12 N4 O16 S28 Yb2 -","1","0.5","","Fabrice Pointillart; Boris Le Guennic; Stephane Golhen; Olivier Cador; Olivier Maury; Lahcene Ouahab","A redox-active luminescent ytterbium based single molecule magnet","Chem.Commun.","2013","49","","615","","10.1039/c2cc37635k","","","0.71073","MoKα","","0.0743","0.0519","","","0.1436","0.1717","","","","","","1.107","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108762","37.452","0.007","21.717","0.004","35.226","0.007","90","","105.943","0.003","90","","27549","9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C222 H238 Ce4 N42 O44 -","- C222 H160 Ce4 N42 O44 -","- C888 H640 Ce16 N168 O176 -","4","0.5","","Cheng He; Jian Wang; Liang Zhao; Tao Liu; Jing Zhang; Chunying Duan","A photoactive basket-like metal-organic tetragon worked as an enzymatic molecular flask for light driven H2 production","Chem.Commun.","2013","49","","627","","10.1039/c2cc37853a","","","0.71073","MoKα","","0.197","0.0838","","","0.1962","0.2211","","","","","","1.019","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108763","7.221","0.0014","17.001","0.003","23.199","0.005","90","","90","","90","","2848","1","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C152 H112 O32 -","8","1","","Qiwen Hou; Zhenhua Zhang; Fanji Kong; Shaozhong Wang; Huaqin Wang; Zhu-Jun Yao","Assembly of fused indenes via Au(I)-catalyzed C1-C5 cyclization of enediynes bearing an internal nucleophile","Chem.Commun.","2013","49","","695","","10.1039/c2cc36245g","","","0.71073","MoKα","","0.0781","0.0462","","","0.1045","0.1174","","","","","","1.004","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108764","8.04","0.0016","10.112","0.002","11.172","0.002","70.69","0.03","82.57","0.03","76.65","0.03","832.6","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H16 O4 -","- C21 H16 O4 -","- C42 H32 O8 -","2","1","","Qiwen Hou; Zhenhua Zhang; Fanji Kong; Shaozhong Wang; Huaqin Wang; Zhu-Jun Yao","Assembly of fused indenes via Au(I)-catalyzed C1-C5 cyclization of enediynes bearing an internal nucleophile","Chem.Commun.","2013","49","","695","","10.1039/c2cc36245g","","","0.71073","MoKα","","0.0923","0.0603","","","0.1575","0.1811","","","","","","1.004","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108765","10.401","0.007","11.832","0.006","13.163","0.008","111.045","0.018","100.23","0.02","107.71","0.02","1363.2","1.5","200","2","200","2","","","","","","","","5","P 1","P 1","1","","","","- C32 H36 N2 Ni S2 -","- C32 H36 N2 Ni S2 -","- C64 H72 N4 Ni2 S4 -","2","2","","Tatsuya Kawamoto; Narumi Suzuki; Takeshi Ono; Dafei Gong; Takumi Konno","Chirality transfer based on reversible C-C bond formation/breaking in nickel(II) complexes","Chem.Commun.","2013","49","","668","","10.1039/c2cc36332a","","","0.71075","MoKα","","0.1288","0.0582","","","0.1398","0.1646","","","","","","1.059","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108766","10.902","0.003","14.769","0.003","17.363","0.005","90","","90","","90","","2795.6","1.2","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 N2 Ni S2 -","- C32 H36 N2 Ni S2 -","- C128 H144 N8 Ni4 S8 -","4","1","","Tatsuya Kawamoto; Narumi Suzuki; Takeshi Ono; Dafei Gong; Takumi Konno","Chirality transfer based on reversible C-C bond formation/breaking in nickel(II) complexes","Chem.Commun.","2013","49","","668","","10.1039/c2cc36332a","","","0.71075","MoKα","","0.2704","0.0772","","","0.075","0.1119","","","","","","0.919","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108767","11.963","0.003","12.171","0.004","19.72","0.006","90","","90","","90","","2871.3","1.5","200.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 N2 Ni S2 -","- C32 H36 N2 Ni S2 -","- C128 H144 N8 Ni4 S8 -","4","1","","Tatsuya Kawamoto; Narumi Suzuki; Takeshi Ono; Dafei Gong; Takumi Konno","Chirality transfer based on reversible C-C bond formation/breaking in nickel(II) complexes","Chem.Commun.","2013","49","","668","","10.1039/c2cc36332a","","","0.71075","MoKα","","","0.0432","","","","0.0934","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108768","32.769","0.009","44.126","0.012","24.11","0.006","90","","90","","90","","34862","16","123","2","123","2","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C93 H85 Ag6 Cl3 F36 N12 O24 P6 -","- C92 H84 Ag6 F36 N12 O24 P6 -","- C736 H672 Ag48 F288 N96 O192 P48 -","8","0.5","","Qihui Chen; Feilong Jiang; Daqiang Yuan; Lian Chen; Guangxun Lyu; Maochun Hong","Anion-driven self-assembly: from discrete cages to infinite polycatenanes step by step","Chem.Commun.","2013","49","","719","","10.1039/c2cc36921d","","","0.71073","MoKα","","0.1449","0.1053","","","0.2883","0.3247","","","","","","1.039","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108769","23.153","0.004","23.153","0.004","23.88","0.006","90","","90","","90","","12801","4","298","2","298","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C46.5 H42.5 Ag3 Cl4.5 N6 O24 -","- C46 H42 Ag3 Cl3 N6 O24 -","- C368 H336 Ag24 Cl24 N48 O192 -","8","0.5","","Qihui Chen; Feilong Jiang; Daqiang Yuan; Lian Chen; Guangxun Lyu; Maochun Hong","Anion-driven self-assembly: from discrete cages to infinite polycatenanes step by step","Chem.Commun.","2013","49","","719","","10.1039/c2cc36921d","","","0.71073","MoKα","","0.0936","0.0843","","","0.2361","0.2456","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108770","14.9004","0.0018","14.2899","0.0013","24.009","0.002","90","","94.636","0.007","90","","5095.4","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H73 Cl N3 O2 P Ru -","- C47 H73 Cl N3 O2 P Ru -","- C188 H292 Cl4 N12 O8 P4 Ru4 -","4","1","","Tomasz Wdowik; Cezary Samojlowicz; Magdalena Jawiczuk; Maura Malinska; Krzysztof Wozniak; Karol Grela","Ruthenium nitronate complexes as tunable catalysts for olefin metathesis and other transformations","Chem.Commun.","2013","49","","674","","10.1039/c2cc37385h","","","0.71073","MoKα","","0.2101","0.1418","","","0.2919","0.3247","","","","","","1.103","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108771","14.5884","0.0015","7.8609","0.0008","14.6943","0.0015","90","","102.614","0.002","90","","1644.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C84 H60 N4 O16 -","4","1","","Gen-Qiang Chen; Min Shi","Rhodium-catalyzed tandem Pauson-Khand type reactions of 1,4-enynes tethered by a cyclopropyl group","Chem.Commun.","2013","49","","698","","10.1039/c2cc37587g","","","0.71073","MoKα","","0.0646","0.0415","","","0.1111","0.1217","","","","","","1.074","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108772","8.7683","0.0015","18.903","0.003","19.765","0.004","76.568","0.01","80.43","0.01","85.719","0.011","3139.8","1","120","2","120","2","","","","","","","Thomas Bandy","6","P -1","-P 1","2","","","","- C62 H72 Cl2 Co N12 O10 -","- C62 H72 Cl2 Co N12 O10 -","- C124 H144 Cl4 Co2 N24 O20 -","2","1","","Ashleigh Griffith; Thomas J. Bandy; Mark Light; Eugen Stulz","Fluorescent hydrogel formation from carboxyphenyl-terpyridine","Chem.Commun.","2013","49","","731","","10.1039/c2cc37842f","","","0.71073","MoKα","","0.2688","0.1998","","","0.4262","0.4543","","","","","","1.961","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7108773","20.86","0.0015","6.7273","0.0004","21.7338","0.0012","90","","90","","90","","3049.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H12 Cl N O -","- C20 H12 Cl N O -","- C160 H96 Cl8 N8 O8 -","8","1","","Peng Sang; Ming Yu; Hangfei Tu; Jianwei Zou; Yuhong Zhang","Highly regioselective synthesis of fused seven-membered rings through copper-catalyzed cross-coupling","Chem.Commun.","2013","49","","701","","10.1039/c2cc37891d","","","0.71073","MoKα","","0.0521","0.0387","","","0.088","0.096","","","","","","1.057","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108774","15.2832","0.0009","23.1589","0.0015","13.5599","0.0008","90","","90","","90","","4799.4","0.5","100","2","100","2","","","","","","","","6","I b a 2","I 2 -2c","45","\1","","","- C22.66 H17.33 Cl3.33 Cu N4 O0 -","- C22.663 H17.326 Cl3.326 Cu N4 -","- C181.304 H138.608 Cl26.608 Cu8 N32 -","8","1","","Leigh Loots; Leonard J. Barbour","An infinite catenane self-assembled by pi^...^pi interactions","Chem.Commun.","2013","49","","671","","10.1039/c2cc37953h","","x-ray","0.71073","MoKα","","0.0694","0.0485","","","0.1221","0.1359","","","","","","1.053","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108775","6.3522","0.0014","5.5996","0.0013","23.548","0.005","90","","94.63","0.003","90","","834.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","L","1,1'-(phenanthrene-2,7-diyldimethanediyl)bis(1H-imidazole)","","- C22 H16 N4 -","- C22 H16 N4 -","- C44 H32 N8 -","2","0.5","","Leigh Loots; Leonard J. Barbour","An infinite catenane self-assembled by pi^...^pi interactions","Chem.Commun.","2013","49","","671","","10.1039/c2cc37953h","","","0.71073","MoKα","","0.0957","0.0641","","","0.1606","0.1734","","","","","","1.066","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108776","14.073","0.003","8.4828","0.0015","11.281","0.002","90","","101.917","0.002","90","","1317.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,7-bis(bromomethyl)phenanthrene","","- C16 H12 Br2 -","- C16 H12 Br2 -","- C64 H48 Br8 -","4","1","","Leigh Loots; Leonard J. Barbour","An infinite catenane self-assembled by pi^...^pi interactions","Chem.Commun.","2013","49","","671","","10.1039/c2cc37953h","","","0.71073","MoKα","","0.0509","0.0347","","","0.0859","0.0932","","","","","","1.025","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108777","16.2205","0.0002","14.5792","0.0002","25.008","0.0003","90","","95.481","0.001","90","","5886.9","0.13","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H55 Cl2 F6 N7 O6 Ru2 S2 -","- C58 H55 Cl2 F6 N7 O6 Ru2 S2 -","- C232 H220 Cl8 F24 N28 O24 Ru8 S8 -","4","1","","Kwong-Chak Cheung; Wing-Leung Wong; Ming-Him So; Zhong-Yuan Zhou; Kwok-Yin Wong","A dinuclear ruthenium catalyst with a confined cavity: selectivity in the addition of aliphatic carboxylic acids to phenylacetylene","Chemical communications (Cambridge, England)","2013","49","7","710","712","10.1039/c2cc38454j","","","0.71073","MoKα","","0.0884","0.055","","","0.152","0.1699","","","","","","1.01","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108778","17.8467","0.0003","19.9586","0.0004","14.4679","0.0003","90","","93.888","0.001","90","","5141.54","0.17","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 Cl2 N3 O1.5 Ru -","- C26 H30 Cl2 N3 O1.5 Ru -","- C208 H240 Cl16 N24 O12 Ru8 -","8","1","","Kwong-Chak Cheung; Wing-Leung Wong; Ming-Him So; Zhong-Yuan Zhou; Kwok-Yin Wong","A dinuclear ruthenium catalyst with a confined cavity: selectivity in the addition of aliphatic carboxylic acids to phenylacetylene","Chemical communications (Cambridge, England)","2013","49","7","710","712","10.1039/c2cc38454j","","","0.71073","MoKα","","0.0488","0.0389","","","0.115","0.13","","","","","","1.004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108779","12.9495","0.0013","12.9495","0.0013","39.924","0.009","90","","90","","120","","5797.9","1.5","113","","113","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C40 H91 Co10 N12 Na O56 -","- C40 H50 Co10 N12 Na O55.94 -","- C120 H150 Co30 N36 Na3 O167.82 -","3","0.0833333","","Song-De Han; Wei-Chao Song; Jiong-Peng Zhao; Qian Yang; Sui-Jun Liu; Yue Li; Xian-He Bu","Synthesis and ferrimagnetic properties of an unprecedented polynuclear cobalt complex composed of [Co24] macrocycles","Chemical communications (Cambridge, England)","2013","49","9","871","873","10.1039/c2cc37593a","","","0.71075","MoKα","","0.0426","0.0411","","","0.108","0.1094","","","","","","1.119","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108780","20.8139","0.0005","12.7855","0.0004","21.9411","0.0005","90","","94.614","0.002","90","","5820","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H55 B2 Cl4 Cu2 F8 N4 P3 -","- C58 H55 B2 Cl4 Cu2 F8 N4 P3 -","- C232 H220 B8 Cl16 Cu8 F32 N16 P12 -","4","1","","Juan-Jose Cid; John Mohanraj; Meera Mohankumar; Michel Holler; Gianluca Accorsi; Lydia Brelot; Iwona Nierengarten; Omar Moudam; Adrien Kaeser; Beatrice Delavaux-Nicot; Nicola Armaroli; Jean-Francois Nierengarten","A stable and strongly luminescent dinuclear Cu(I) helical complex prepared from 2-diphenylphosphino-6-methylpyridine","Chemical communications (Cambridge, England)","2013","49","9","859","861","10.1039/c2cc37873f","","","0.71073","MoKα","","0.1122","0.0599","","","0.1274","0.1537","","","","","","1.06","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108781","12.5003","0.0011","14.3637","0.0012","16.0369","0.0014","67.9589","0.0014","75.1829","0.0014","83.3058","0.0015","2579.6","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H96 B2 F48 Gd2 N8 O -","- C92 H96 B2 F48 Gd2 N8 O -","- C92 H96 B2 F48 Gd2 N8 O -","1","0.5","","Ajay Venugopal; Floriana Tuna; Thomas P. Spaniol; Liviu Ungur; Liviu F. Chibotaru; Jun Okuda; Richard A. Layfield","A hydride-ligated dysprosium single-molecule magnet","Chemical communications (Cambridge, England)","2013","49","9","901","903","10.1039/c2cc38036f","","","0.71073","MoKα","","0.0989","0.0683","","","0.1622","0.1764","","","","","","0.942","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7108782","12.8156","0.0008","13.9466","0.0008","17.286","0.001","69.1184","0.0008","70.1955","0.0009","80.8857","0.0009","2713.4","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C96 H106 B2 Dy2 F48 N8 O2 -","- C96 H106 B2 Dy2 F48 N8 O2 -","- C96 H106 B2 Dy2 F48 N8 O2 -","1","0.5","","Ajay Venugopal; Floriana Tuna; Thomas P. Spaniol; Liviu Ungur; Liviu F. Chibotaru; Jun Okuda; Richard A. Layfield","A hydride-ligated dysprosium single-molecule magnet","Chemical communications (Cambridge, England)","2013","49","9","901","903","10.1039/c2cc38036f","","","0.71073","MoKα","","0.0566","0.0407","","","0.0675","0.0718","","","","","","0.868","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108784","23.94","0.019","16.839","0.011","29.83","0.02","90","","109.479","0.011","90","","11337","14","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 F6 N2 O3 S -","- C24 H40 F6 N2 O3 S -","- C384 H640 F96 N32 O48 S16 -","16","2","","Philippa B. Cranwell; Jennifer R. Hiscock; Cally J. E. Haynes; Mark E. Light; Neil J. Wells; Philip A. Gale","Anion recognition and transport properties of sulfamide-, phosphoric triamide- and thiophosphoric triamide-based receptors","Chemical communications (Cambridge, England)","2013","49","9","874","876","10.1039/c2cc38198b","","","0.71075","MoKα","","0.159","0.1274","","","0.2168","0.2321","","","","","","1.142","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108785","9.376","0.005","24.91","0.013","10.433","0.005","90","","92.512","0.009","90","","2434","2","100","","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H53 F18 N4 O4 P -","- C42 H53 F18 N4 O4 P -","- C84 H106 F36 N8 O8 P2 -","2","1","","Philippa B. Cranwell; Jennifer R. Hiscock; Cally J. E. Haynes; Mark E. Light; Neil J. Wells; Philip A. Gale","Anion recognition and transport properties of sulfamide-, phosphoric triamide- and thiophosphoric triamide-based receptors","Chemical communications (Cambridge, England)","2013","49","9","874","876","10.1039/c2cc38198b","","","0.71075","MoKα","","0.0838","0.075","","","0.1999","0.2123","","","","","","1.081","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108786","13.788","0.008","18.964","0.01","25.385","0.014","90","","102.004","0.011","90","","6492","6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H86 Cl2 F18 N5 O2 P -","- C56 H86 Cl2 F18 N5 O2 P -","- C224 H344 Cl8 F72 N20 O8 P4 -","4","1","","Philippa B. Cranwell; Jennifer R. Hiscock; Cally J. E. Haynes; Mark E. Light; Neil J. Wells; Philip A. Gale","Anion recognition and transport properties of sulfamide-, phosphoric triamide- and thiophosphoric triamide-based receptors","Chemical communications (Cambridge, England)","2013","49","9","874","876","10.1039/c2cc38198b","","","0.71075","MoKα","","0.2162","0.1408","","","0.2774","0.321","","","","","","1.147","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108795","18.77","0.002","9.856","0.0013","16.662","0.002","90","","90.167","0.008","90","","3082.4","0.6","296","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 B2 F2 N2 -","- C37 H40 B2 F2 N2 -","- C148 H160 B8 F8 N8 -","4","1","","Chinna Ayya Swamy P; Sanjoy Mukherjee; Pakkirisamy Thilagar","Dual emissive borane-BODIPY dyads: molecular conformation control over electronic properties and fluorescence response towards fluoride ions","Chemical communications (Cambridge, England)","2013","49","10","993","995","10.1039/c2cc38352g","","","0.71073","MoKα","","0.189","0.139","","","0.3285","0.3567","","","","","","1.103","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108796","8.506","0.019","11.56","0.03","11.58","0.03","83.27","0.04","88.36","0.04","76.94","0.04","1102","5","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 B O -","- C25 H27 B O -","- C50 H54 B2 O2 -","2","1","","Chinna Ayya Swamy P; Sanjoy Mukherjee; Pakkirisamy Thilagar","Dual emissive borane-BODIPY dyads: molecular conformation control over electronic properties and fluorescence response towards fluoride ions","Chemical communications (Cambridge, England)","2013","49","10","993","995","10.1039/c2cc38352g","","","0.71073","MoKα","","0.1717","0.0839","","","0.2055","0.2562","","","","","","0.953","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108797","36.823","0.008","8.3144","0.0017","9.787","0.0017","90","","90","","90","","2996.4","1","296","2","273","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C35 H36 B2 F2 N2 -","- C35 H36 B2 F2 N2 -","- C140 H144 B8 F8 N8 -","4","1","","Chinna Ayya Swamy P; Sanjoy Mukherjee; Pakkirisamy Thilagar","Dual emissive borane-BODIPY dyads: molecular conformation control over electronic properties and fluorescence response towards fluoride ions","Chemical communications (Cambridge, England)","2013","49","10","993","995","10.1039/c2cc38352g","","","0.71073","MoKα","","0.2095","0.0695","","","0.1138","0.1538","","","","","","0.96","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108798","18.4912","0.0007","18.7881","0.0007","24.6429","0.0006","70.008","0.003","71.465","0.003","62.324","0.004","6993.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H111 Dy12 N18 O65 -","- C63 H39 Dy12 N18 O65.005 -","- C126 H78 Dy24 N36 O130.01 -","2","1","","Li-Xian Chang; Gang Xiong; Li Wang; Peng Cheng; Bin Zhao","A 24-Gd nanocapsule with a large magnetocaloric effect","Chemical communications (Cambridge, England)","2013","49","11","1055","1057","10.1039/c2cc35800j","","","0.71073","MoKα","","0.0701","0.0495","","","0.1157","0.132","","","","","","1.064","","","","has coordinates","180191","2020-10-21","18:00:00",""
"7108799","18.5577","0.0007","18.6531","0.0007","24.5481","0.0009","70.309","0.003","71.744","0.003","62.202","0.004","6951.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H232 Gd24 N36 O134 -","- C126 H204 Gd24 N36 O134 -","- C126 H204 Gd24 N36 O134 -","1","0.5","","Li-Xian Chang; Gang Xiong; Li Wang; Peng Cheng; Bin Zhao","A 24-Gd nanocapsule with a large magnetocaloric effect","Chemical communications (Cambridge, England)","2013","49","11","1055","1057","10.1039/c2cc35800j","","","0.71073","MoKα","","0.0504","0.0384","","","0.0981","0.1041","","","","","","1.084","","","","has coordinates,has disorder","180191","2020-10-21","18:00:00",""
"7108800","18.2455","0.0003","15.6917","0.0002","8.0286","0.0001","90","","90","","90","","2298.61","0.06","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H20 F6 N7 O2 P -","- C22 H20 F6 N7 O2 P -","- C88 H80 F24 N28 O8 P4 -","4","0.5","","Chao Gao; Hongjun Zhou; Siping Wei; Yinsong Zhao; Jingsong You; Ge Gao","Novel bisimidazolium pincers as low loading ligands for in situ palladium-catalyzed Suzuki-Miyaura reaction in the ambient atmosphere","Chemical communications (Cambridge, England)","2013","49","11","1127","1129","10.1039/c2cc36375e","","x-ray","0.71073","MoKα","","0.0415","0.0312","","","0.0861","0.0882","","","","","","1.17","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108801","8.0418","0.0005","9.82","0.0006","10.9614","0.0008","89.012","0.005","77.986","0.006","65.983","0.006","771.16","0.1","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N5 O3 -","- C13 H19 N5 O3 -","- C26 H38 N10 O6 -","2","1","","Chao Gao; Hongjun Zhou; Siping Wei; Yinsong Zhao; Jingsong You; Ge Gao","Novel bisimidazolium pincers as low loading ligands for in situ palladium-catalyzed Suzuki-Miyaura reaction in the ambient atmosphere","Chemical communications (Cambridge, England)","2013","49","11","1127","1129","10.1039/c2cc36375e","","","0.7107","MoKα","","0.0849","0.0644","","","0.1793","0.1972","","","","","","1.068","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108802","18.5805","0.0007","22.136","0.0007","27.3338","0.001","111.986","0.003","91.14","0.003","109.79","0.003","9669.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H173 Br5 Mn21 N24 O67 -","- C118 H116 Br5 Mn21 N14 O66 -","- C236 H232 Br10 Mn42 N28 O132 -","2","1","","Maria Manoli; Ross Inglis; Manolis J. Manos; Giannis S. Papaefstathiou; Euan K. Brechin; Anastasios J. Tasiopoulos","A 1-D coordination polymer based on a Mn40 octagonal super-structure","Chemical communications (Cambridge, England)","2013","49","11","1061","1063","10.1039/c2cc36412c","","","0.71073","MoKα","","0.1043","0.0669","","","0.179","0.1972","","","","","","0.935","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108803","8.7777","0.001","10.8623","0.0012","14.2447","0.0015","101.878","0.005","104.271","0.005","98.735","0.005","1258.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Ag2 Cl6 N4 O6 -","- C52 H40 Ag2 Cl6 N4 O6 -","- C52 H40 Ag2 Cl6 N4 O6 -","1","0.5","","Saikat Dutta; Dejan-Kresimir Bucar; Elizabeth Elacqua; Leonard R. MacGillivray","Single-crystal-to-single-crystal direct cross-linking and photopolymerisation of a discrete Ag(I) complex to give a 1D polycyclobutane coordination polymer","Chemical communications (Cambridge, England)","2013","49","11","1064","1066","10.1039/c2cc36458a","","","0.71073","MoKα","","0.042","0.0321","","","0.0849","0.0892","","","","","","1.066","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108804","8.9589","0.001","11.5427","0.0013","13.4841","0.0014","97.692","0.007","102.484","0.006","103.767","0.005","1296.8","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Ag2 Cl6 N4 O6 -","- C52 H40 Ag2 Cl5.998 N4 O5.994 -","- C52 H40 Ag2 Cl5.998 N4 O5.994 -","1","0.5","","Saikat Dutta; Dejan-Kresimir Bucar; Elizabeth Elacqua; Leonard R. MacGillivray","Single-crystal-to-single-crystal direct cross-linking and photopolymerisation of a discrete Ag(I) complex to give a 1D polycyclobutane coordination polymer","Chemical communications (Cambridge, England)","2013","49","11","1064","1066","10.1039/c2cc36458a","","","0.71073","MoKα","","0.1153","0.0666","","","0.1616","0.1801","","","","","","1.075","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108805","7.542","0.003","8.464","0.005","13.006","0.006","102.844","0.003","100.097","0.003","107.616","0.004","744.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 O4 S2 -","- C14 H16 O4 S2 -","- C28 H32 O8 S4 -","2","1","","Guang-Sheng Yang; Zhong-Ling Lang; Hong-Ying Zang; Ya-Qian Lan; Wen-Wen He; Xiao-Liang Zhao; Li-Kai Yan; Xin-Long Wang; Zhong-Min Su","Control of interpenetration in S-containing metal-organic frameworks for selective separation of transition metal ions","Chemical communications (Cambridge, England)","2013","49","11","1088","1090","10.1039/c2cc36894c","","","0.71069","MoKα","","0.0746","0.0529","","","0.1364","0.1495","","","","","","1.044","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108806","18.115","0.003","14.489","0.005","22.113","0.004","90","","90","","90","","5804","2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C48 H60 N6 O19 S6 Zn4 -","- C39 H18 N3 O16 S6 Zn4 -","- C156 H72 N12 O64 S24 Zn16 -","4","1","","Guang-Sheng Yang; Zhong-Ling Lang; Hong-Ying Zang; Ya-Qian Lan; Wen-Wen He; Xiao-Liang Zhao; Li-Kai Yan; Xin-Long Wang; Zhong-Min Su","Control of interpenetration in S-containing metal-organic frameworks for selective separation of transition metal ions","Chemical communications (Cambridge, England)","2013","49","11","1088","1090","10.1039/c2cc36894c","","","0.71069","MoKα","","0.1428","0.0706","","","0.1114","0.1253","","","","","","0.992","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108807","29.171","0.007","29.171","0.007","29.171","0.007","90","","90","","90","","24823","10","293","2","293","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C65 H95 N7 O20 S6 Zn4 -","- C24 O13 S6 Zn4 -","- C192 O104 S48 Zn32 -","8","0.0416667","","Guang-Sheng Yang; Zhong-Ling Lang; Hong-Ying Zang; Ya-Qian Lan; Wen-Wen He; Xiao-Liang Zhao; Li-Kai Yan; Xin-Long Wang; Zhong-Min Su","Control of interpenetration in S-containing metal-organic frameworks for selective separation of transition metal ions","Chemical communications (Cambridge, England)","2013","49","11","1088","1090","10.1039/c2cc36894c","","","0.71069","MoKα","","0.1228","0.0821","","","0.2098","0.2369","","","","","","1.17","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108808","6.27","0.0007","13.0333","0.0007","13.3502","0.0008","104.013","0.005","97.803","0.007","103.712","0.007","1006.5","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N O8 -","- C21 H23 N O8 -","- C42 H46 N2 O16 -","2","1","","Jindian Duan; Fangyi Cao; Xiaoqin Wang; Cheng Ma","A tertiary amine catalyzed carbocyclization sequence to furnish spirocyclo hexene systems having vicinal quaternary stereocenters","Chemical communications (Cambridge, England)","2013","49","11","1124","1126","10.1039/c2cc37297e","","","0.71073","MoKα","","0.0653","0.0447","","","0.1039","0.118","","","","","","1.024","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108809","9.0913","0.0005","10.8004","0.0004","16.2056","0.0009","90","","91.343","0.002","90","","1590.79","0.14","173","2","173","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Penkett, Clive S.; Brann, Paul J.; Woolford, Jason A.; Kahan, Rachel J.","Confirming the existence of π-allyl-palladium intermediates during the reaction of meta photocycloadducts with palladium(II) compounds","Chemical Communications (Cambridge, United Kingdom)","2013","49","11","1106","1108","10.1039/c2cc37708j","","x-ray","0.71073","MoKα","","0.0595","0.0427","","","0.0981","0.1086","","","","","","0.966","","","","has coordinates","210828","2020-10-21","18:00:00",""
"7108810","26.551","0.008","11.965","0.004","21.288","0.006","90","","104.204","0.005","90","","6556","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H74 P2 S6 Si6 V -","- C55 H74 P2 S6 Si6 V -","- C220 H296 P8 S24 Si24 V4 -","4","1","","Tzu-Tso Chen; Yu-Sen Chen; Ya-Ho Chang; Jung-Ching Wang; Yi-Fang Tsai; Gene-Hsiang Lee; Tin-Shen Kuo; Hua-Fen Hsu","Activation of dichloromethane by a V(III) thiolate complex: an example of S-based nucleophilic reactivity in an early transition metal thiolate","Chemical communications (Cambridge, England)","2013","49","11","1109","1111","10.1039/c2cc37801a","","","0.71073","MoKα","","0.1902","0.0634","","","0.1151","0.1506","","","","","","0.929","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108811","13.2824","0.0002","16.9608","0.0003","20.7372","0.0003","80.6212","0.0011","86.5684","0.0012","70.7773","0.0007","4352.15","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C79.93 H98.07 O0.56 P3 S6 Si6 V -","- C79.923 H98.052 O0.558 P3 S6 Si6 V -","- C159.846 H196.104 O1.116 P6 S12 Si12 V2 -","2","1","","Tzu-Tso Chen; Yu-Sen Chen; Ya-Ho Chang; Jung-Ching Wang; Yi-Fang Tsai; Gene-Hsiang Lee; Tin-Shen Kuo; Hua-Fen Hsu","Activation of dichloromethane by a V(III) thiolate complex: an example of S-based nucleophilic reactivity in an early transition metal thiolate","Chemical communications (Cambridge, England)","2013","49","11","1109","1111","10.1039/c2cc37801a","","","0.71073","MoKα","","0.0956","0.056","","","0.1456","0.1644","","","","","","1.07","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108812","13.081","0.005","15.083","0.006","18.47","0.008","95.06","0.03","108.12","0.03","104.55","0.03","3297","2","143","2","143","2","","","","","","","","8","P -1","-P 1","2","","","","- C63 H46.5 F12 N7.5 O3 P2 Ru S3 -","- C63 H46.5 F12 N7.5 O3 P2 Ru S3 -","- C126 H93 F24 N15 O6 P4 Ru2 S6 -","2","1","","Alexandrina Schramm; Christophe Stroh; Kerrin Dossel; Maya Lukas; Olaf Fuhr; Hilbert von Lohneysen; Marcel Mayor","Isolated facial and meridional tris(bipyridine)Ru(II) for STM studies on Au(111)","Chemical communications (Cambridge, England)","2013","49","11","1076","1078","10.1039/c2cc37904j","","","0.71073","MoKα","","0.1148","0.0775","","","0.194","0.2169","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108813","22.5771","0.0008","22.5771","0.0008","39.3024","0.0015","90","","90","","120","","17349.5","1.1","100","2","100","2","","","","","","","","8","R -3 :H","-R 3","148","palladium-thallium carbonylphosphine hexafluorophosphate","tris(μ~3~-carbonyl)-hexakis(μ~2~-carbonyl)-hexakis (triphenylphosphine)-thallium-nona-palladium hexafluorophosphate tetrahydrofuran-methylenchloride solvate","","- C124.26 H104.52 Cl1.32 F6 O10.65 P7 Pd9 Tl -","- C124.26 H104.52 Cl1.32 F6.12 O10.65 P7.01 Pd9 Tl -","- C745.56 H627.12 Cl7.92 F36.72 O63.9 P42.06 Pd54 Tl6 -","6","0.333333","","Evgueni G. Mednikov; Lawrence F. Dahl","How innocent is thallium(I)? Corrected formulations of [Tl2Pd14(CO)9(PMe3)11][PF6]2 and [TlPd9(CO)9(PPh3)6][PF6] clusters previously reported as corresponding Au2Pd14 and AuPd9 clusters","Chemical communications (Cambridge, England)","2013","49","11","1085","1087","10.1039/c2cc37959g","","","0.71073","MoKα","","0.0739","0.0526","","","0.1311","0.1495","","","","","","1.029","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108814","15.4089","0.0003","29.418","0.0006","19.6119","0.0004","90","","90.015","0.001","90","","8890.1","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","palladium-thallium carbonylphosphine cluster","","","- C45 H105 F12 O10 P13 Pd14 Tl2 -","- C45 H105 F12 O10 P13 Pd14 Tl2 -","- C180 H420 F48 O40 P52 Pd56 Tl8 -","4","1","","Evgueni G. Mednikov; Lawrence F. Dahl","How innocent is thallium(I)? Corrected formulations of [Tl2Pd14(CO)9(PMe3)11][PF6]2 and [TlPd9(CO)9(PPh3)6][PF6] clusters previously reported as corresponding Au2Pd14 and AuPd9 clusters","Chemical communications (Cambridge, England)","2013","49","11","1085","1087","10.1039/c2cc37959g","","","0.71073","MoKα","","0.032","0.0254","","","0.0567","0.061","","","","","","1.009","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108815","10.1261","0.0002","11.4604","0.0004","18.7902","0.0008","87.101","0.002","89.417","0.002","70.312","0.002","2050.43","0.12","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H59 B2 K N4 P2 -","- C37 H59 B2 K N4 P2 -","- C74 H118 B4 K2 N8 P4 -","2","1","","Jens Langer; Villo K. Palfi; Helmar Gorls; Markus Reiher; Matthias Westerhausen","Formation of a Ph2PCH(BH3)P(BH3)Ph2 ligand via formal 1,2-borane migration","Chemical communications (Cambridge, England)","2013","49","11","1121","1123","10.1039/c2cc38098f","","","0.71073","MoKα","","0.1039","0.0836","","","0.164","0.1762","","","","","","1.178","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108816","24.6465","0.0008","24.6465","0.0009","35.3753","0.001","90","","90","","120","","18609.8","1.1","183","2","183","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C150 H162 B12 Ba4 O P12 -","- C150 H162 B12 Ba4 O P12 -","- C600 H648 B48 Ba16 O4 P48 -","4","0.333333","","Jens Langer; Villo K. Palfi; Helmar Gorls; Markus Reiher; Matthias Westerhausen","Formation of a Ph2PCH(BH3)P(BH3)Ph2 ligand via formal 1,2-borane migration","Chemical communications (Cambridge, England)","2013","49","11","1121","1123","10.1039/c2cc38098f","","","0.71073","MoKα","","0.1445","0.0746","","","0.2023","0.2311","","","","","","1.056","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108817","11.6599","0.0011","16.1539","0.0014","19.2369","0.0018","86.011","0.007","88.184","0.008","85.019","0.007","3599.7","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H36.5 Cr N2 O6.25 -","- C38 H36.5 Cr N2 O6.25 -","- C152 H146 Cr4 N8 O25 -","4","2","","Alicia Santiago; Mar Gomez-Gallego; Carmen Ramirez de Arellano; Miguel A. Sierra","Structure and photoreactivity of stable zwitterionic group 6 metal allenyls","Chemical communications (Cambridge, England)","2013","49","11","1112","1114","10.1039/c2cc38223g","","","0.71073","MoKα","","0.2054","0.101","","","0.2218","0.285","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108818","10.7606","0.001","12.5977","0.0012","12.7837","0.0012","89.969","0.002","75.748","0.002","85.623","0.002","1674.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H45 Fe N2 O2.5 -","- C38 H45 Fe N2 O2.5 -","- C76 H90 Fe2 N4 O5 -","2","1","","Alicia Santiago; Mar Gomez-Gallego; Carmen Ramirez de Arellano; Miguel A. Sierra","Structure and photoreactivity of stable zwitterionic group 6 metal allenyls","Chemical communications (Cambridge, England)","2013","49","11","1112","1114","10.1039/c2cc38223g","","","0.71073","MoKα","","0.1275","0.0585","","","0.1436","0.1655","","","","","","0.995","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7108819","11.9824","0.001","15.2216","0.0009","16.9837","0.0012","78.725","0.006","79.801","0.007","89.345","0.006","2989","0.4","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H70 Br4 O10 -","- C57 H70 Br4 O10 -","- C114 H140 Br8 O20 -","2","1","","Peifa Wei; Xuzhou Yan; Jinying Li; Yingjie Ma; Feihe Huang","Two 2 : 3 copillar[5]arene constitutional isomers: syntheses, crystal structures and host-guest complexation of their derivatives with dicarboxylic acid sodium salts in water","Chemical communications (Cambridge, England)","2013","49","11","1070","1072","10.1039/c2cc38355a","","","1.54184","CuKα","","0.1665","0.1494","","","0.3923","0.4189","","","","","","1.63","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108820","26.1413","0.0009","11.8492","0.0006","21.3437","0.0009","90","","109.625","0.004","90","","6227.2","0.5","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H74 Br4 Cl4 O10 -","- C59 H74 Br4 Cl4 O10 -","- C236 H296 Br16 Cl16 O40 -","4","1","","Peifa Wei; Xuzhou Yan; Jinying Li; Yingjie Ma; Feihe Huang","Two 2 : 3 copillar[5]arene constitutional isomers: syntheses, crystal structures and host-guest complexation of their derivatives with dicarboxylic acid sodium salts in water","Chemical communications (Cambridge, England)","2013","49","11","1070","1072","10.1039/c2cc38355a","","","0.71073","MoKα","","0.1051","0.066","","","0.1463","0.1664","","","","","","1.041","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108821","9.1158","0.0001","12.797","0.0002","23.0938","0.0003","90","","90","","90","","2694","0.06","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O6 -","- C29 H44 O6 -","- C116 H176 O24 -","4","1","","Bo Li; De-Yun Kong; Yun-Heng Shen; Ka-Li Fu; Rong-Cai Yue; Zhu-Zhen Han; Hu Yuan; Qing-Xin Liu; Lei Shan; Hui-Liang Li; Xian-Wen Yang; Wei-Dong Zhang","Pseudolarenone, an unusual nortriterpenoid lactone with a fused 5/11/5/6/5 ring system featuring an unprecedented bicyclo[8.2.1]tridecane core from Pseudolarix amabilis","Chemical communications (Cambridge, England)","2013","49","12","1187","1189","10.1039/c2cc37742j","","","1.54178","CuKα","","0.0316","0.0311","","","0.0805","0.0812","","","","","","1.07","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108822","20.6791","0.0007","36.3243","0.0013","34.1575","0.0012","90","","90.429","0.001","90","","25656.8","1.6","200","2","200","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C180 H279 B4 Co13 Fe4 N52 O45.5 -","- C180 H268 B4 Co13 Fe4 N52 O45.5 -","- C720 H1072 B16 Co52 Fe16 N208 O182 -","4","1","","Abhishake Mondal; Sonja Durdevic; Lise-Marie Chamoreau; Yves Journaux; Miguel Julve; Laurent Lisnard; Rodrigue Lescouezec","A cyanide and hydroxo-bridged nanocage: a new generation of coordination clusters","Chemical communications (Cambridge, England)","2013","49","12","1181","1183","10.1039/c2cc38404c","","","0.71073","MoKα","","0.058","0.0453","","","0.1236","0.1346","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108823","18.945","0.004","9.072","0.0018","14.608","0.003","90","","111.45","0.03","90","","2336.8","1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 N4 -","- C32 H16 N4 -","- C128 H64 N16 -","4","1","","Jie Liu; Qing Meng; Xiaotao Zhang; Xiuqiang Lu; Ping He; Lang Jiang; Huanli Dong; Wenping Hu","Aggregation-induced emission enhancement based on 11,11,12,12,-tetracyano-9,10-anthraquinodimethane","Chemical communications (Cambridge, England)","2013","49","12","1199","1201","10.1039/c2cc38817k","","","0.71073","MoKα","","0.1089","0.098","","","0.2497","0.2588","","","","","","1.377","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108824","6.941","0.003","11.055","0.004","22.261","0.008","90","","90","","90","","1708.1","1.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Br O5 -","- C17 H19 Br O5 -","- C68 H76 Br4 O20 -","4","1","","Wei Wang; Junfeng Wang; Shuo Zhou; Qi Sun; Zemei Ge; Xin Wang; Runtao Li","An efficient organocatalytic enantioselective Michael addition of aryl methyl ketones with 2-furanones: highly functionalized chiral 3,4-substituted lactones","Chemical communications (Cambridge, England)","2013","49","13","1333","1335","10.1039/c2cc35488h","","","1.54178","CuKα","","0.0378","0.0347","","","0.0863","0.0894","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108830","13.3817","0.0003","13.4222","0.0003","18.3938","0.0004","75.085","0.001","68.825","0.001","71.238","0.001","2879.44","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 F6 N2 O6 -","- C30.5 H29.5 F6 N2 O7 -","- C122 H118 F24 N8 O28 -","4","2","","Santos Fustero; Paula Bello; Javier Miro; Maria Sanchez-Rosello; Miguel A. Maestro; Javier Gonzalez; Carlos del Pozo","Gold catalyzed stereoselective tandem hydroamination-formal aza-Diels-Alder reaction of propargylic amino esters","Chemical communications (Cambridge, England)","2013","49","13","1336","1338","10.1039/c2cc37796a","","","0.71073","MoKα","","0.0732","0.0588","","","0.1779","0.1932","","","","","","1.049","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108831","9.4686","0.0009","11.8434","0.0009","12.3923","0.001","117.656","0.009","94.288","0.008","97.946","0.007","1203.7","0.2","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C32 H36 Cu3 N6 O14 P4 -","- C32 H32 Cu3 N6 O14 P4 -","- C32 H32 Cu3 N6 O14 P4 -","1","0.5","","Marco Taddei; Ferdinando Costantino; Andrea Ienco; Angiolina Comotti; Phuong V. Dau; Seth M. Cohen","Synthesis, breathing, and gas sorption study of the first isoreticular mixed-linker phosphonate based metal-organic frameworks","Chemical communications (Cambridge, England)","2013","49","13","1315","1317","10.1039/c2cc38092g","","x-ray","1.5418","CuKα","","0.0865","0.0606","","","0.164","0.1916","","","","","","1.031","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108832","9.5516","0.0005","12.9047","0.0007","13.982","0.002","75.544","0.007","89.628","0.007","75.697","0.005","1614.3","0.3","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C30 H38 Cu3 N6 O12 P4 -","- C30 H36 Cu3 N6 O12 P4 -","- C30 H36 Cu3 N6 O12 P4 -","1","0.5","","Marco Taddei; Ferdinando Costantino; Andrea Ienco; Angiolina Comotti; Phuong V. Dau; Seth M. Cohen","Synthesis, breathing, and gas sorption study of the first isoreticular mixed-linker phosphonate based metal-organic frameworks","Chemical communications (Cambridge, England)","2013","49","13","1315","1317","10.1039/c2cc38092g","","x-ray","1.5418","CuKα","","0.1324","0.1101","","","0.2669","0.2774","","","","","","1.352","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108833","13.901","0.0004","9.5384","0.0003","26.6923","0.0012","90","","96.326","0.003","90","","3517.7","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 Cu3 N6 O12 P4 -","- C34 H40 Cu3 N6 O12 P4 -","- C68 H80 Cu6 N12 O24 P8 -","2","0.5","","Marco Taddei; Ferdinando Costantino; Andrea Ienco; Angiolina Comotti; Phuong V. Dau; Seth M. Cohen","Synthesis, breathing, and gas sorption study of the first isoreticular mixed-linker phosphonate based metal-organic frameworks","Chemical communications (Cambridge, England)","2013","49","13","1315","1317","10.1039/c2cc38092g","","","0.71073","MoKα","","0.0899","0.0774","","","0.2284","0.2392","","","","","","1.113","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108834","23.288","0.002","9.57","0.0007","24.207","0.002","90","","105.705","0.009","90","","5193.5","0.8","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cu3 N6 O13 P4 -","- C34 H44 Cu3 N6 O13 P4 -","- C136 H176 Cu12 N24 O52 P16 -","4","1","","Marco Taddei; Ferdinando Costantino; Andrea Ienco; Angiolina Comotti; Phuong V. Dau; Seth M. Cohen","Synthesis, breathing, and gas sorption study of the first isoreticular mixed-linker phosphonate based metal-organic frameworks","Chemical communications (Cambridge, England)","2013","49","13","1315","1317","10.1039/c2cc38092g","","x-ray","1.5418","CuKα","","0.1316","0.1024","","","0.273","0.2991","","","","","","1.035","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108835","11.1712","0.0011","12.066","0.0012","17.6929","0.0018","70.489","0.002","83.942","0.002","86.093","0.002","2234","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N3 O3 -","- C26 H23 N3 O3 -","- C104 H92 N12 O12 -","4","2","","Wang, Zikun; Bi, Xihe; Liao, Peiqiu; Liu, Xu; Dong, Dewen","Cu(II)-catalyzed cyclization of α-diazo-β-oxoamides with amines leading to pyrrol-3(2H)-ones","Chemical Communications (Cambridge, United Kingdom)","2013","49","13","1309","1311","10.1039/c2cc38473f","","","0.71073","MoKα","","0.0878","0.0613","","","0.1574","0.1748","","","","","","1.031","","","","has coordinates","210832","2020-10-21","18:00:00",""
"7108836","10.6545","0.0013","20.649","0.003","13.3304","0.0016","90","","99.311","0.002","90","","2894.1","0.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H42 Br4 N4 O10 S2 -","- C48 H42 Br4 N4 O10 S2 -","- C96 H84 Br8 N8 O20 S4 -","2","1","","Jianhao Li; Taiping Du; Gang Zhang; Yungui Peng","3-Bromooxindoles as nucleophiles in asymmetric organocatalytic Mannich reactions with N-Ts-imines","Chemical communications (Cambridge, England)","2013","49","13","1330","1332","10.1039/c2cc38475b","","","0.71073","MoKα","","0.1212","0.0823","","","0.2286","0.2875","","","","","","1.081","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108837","9.3474","0.0011","11.7017","0.0018","28.722","0.003","90","","90","","90","","3141.6","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H40 N2 O3 S -","- C36 H40 N2 O3 S -","- C144 H160 N8 O12 S4 -","4","1","","Diao Chen; Ming-Hua Xu","Zn-mediated asymmetric allylation of N-tert-butanesulfinyl ketimines: an efficient and practical access to chiral quaternary 3-aminooxindoles","Chemical communications (Cambridge, England)","2013","49","13","1327","1329","10.1039/c2cc38600c","","","0.71073","MoKα","","0.0782","0.0685","","","0.1802","0.1865","","","","","","1.116","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108838","14.103","0.003","7.631","0.0015","16.683","0.003","90","","114.36","0.03","90","","1635.6","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl F3 N2 -","- C18 H14 Cl F3 N2 -","- C72 H56 Cl4 F12 N8 -","4","1","","Mao Liu; Jing Li; Xiao Xiao; Ying Xie; Yian Shi","An efficient synthesis of optically active trifluoromethyl aldimines via asymmetric biomimetic transamination","Chemical communications (Cambridge, England)","2013","49","14","1404","1406","10.1039/c2cc37423d","","","0.71073","MoKα","","0.0938","0.0654","","","0.2023","0.2744","","","","","","1.219","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108839","11.18","0.009","7.292","0.006","16.78","0.013","90","","100.945","0.007","90","","1343.1","1.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O -","- C17 H15 N O -","- C68 H60 N4 O4 -","4","1","","Xiao-Feng Xia; Lu-Lu Zhang; Xian-Rong Song; Yan-Ning Niu; Xue-Yuan Liu; Yong-Min Liang","Palladium-copper-cocatalyzed intramolecular oxidative coupling: an efficient and atom-economical strategy for the synthesis of 3-acylindoles","Chemical communications (Cambridge, England)","2013","49","14","1410","1412","10.1039/c2cc37805a","","","0.71073","MoKα","","0.1103","0.0774","","","0.2106","0.229","","","","","","1.187","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108840","11.5684","0.0002","10.3734","0.00015","13.8042","0.0003","90","","113.134","0.002","90","","1523.35","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H32 N4 O6 -","- C34 H32 N4 O6 -","- C68 H64 N8 O12 -","2","1","","Li, Xuejian; Zhao, Yanyan; Qu, Haijun; Mao, Zhenjun; Lin, Xufeng","Organocatalytic asymmetric multicomponent reactions of aromatic aldehydes and anilines with β-ketoesters: facile and atom-economical access to chiral tetrahydropyridines","Chemical Communications (Cambridge, United Kingdom)","2013","49","14","1401","1403","10.1039/c2cc38349g","","","1.54184","CuKα","","0.0406","0.0364","","","0.0937","0.0983","","","","","","1.051","","","","has coordinates","210831","2020-10-21","18:00:00",""
"7108841","7.9799","0.0005","8.7756","0.0007","17.288","0.002","87.612","0.01","85.963","0.009","78.796","0.006","1184.15","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H30 N2 O -","- C30 H30 N2 O -","- C60 H60 N4 O2 -","2","2","","Li, Xuejian; Zhao, Yanyan; Qu, Haijun; Mao, Zhenjun; Lin, Xufeng","Organocatalytic asymmetric multicomponent reactions of aromatic aldehydes and anilines with β-ketoesters: facile and atom-economical access to chiral tetrahydropyridines","Chemical Communications (Cambridge, United Kingdom)","2013","49","14","1401","1403","10.1039/c2cc38349g","","","0.71073","MoKα","","0.1374","0.1109","","","0.2762","0.3099","","","","","","1.115","","","","has coordinates","210831","2020-10-21","18:00:00",""
"7108842","16.1626","0.0002","16.1626","0.0002","16.1626","0.0002","90","","90","","90","","4222.15","0.09","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C19 H17 Br2 Cl2 P -","- C18 H15 Br2 P -","- C144 H120 Br16 P8 -","8","0.333333","","Kirill Nikitin; Helge Muller-Bunz; Declan Gilheany","Direct evidence of a multicentre halogen bond: unexpected contraction of the P-XXX-P fragment in triphenylphosphine dihalides","Chemical communications (Cambridge, England)","2013","49","14","1434","1436","10.1039/c2cc38363b","","","0.71073","MoKα","","0.0454","0.0374","","","0.1294","0.134","","","","","","1.194","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108843","15.9738","0.0002","15.9738","0.0002","15.9738","0.0002","90","","90","","90","","4075.91","0.09","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C19 H17 Br0.69 Cl3.32 P -","- C19 H17 Br0.688 Cl3.31201 P -","- C152 H136 Br5.504 Cl26.4961 P8 -","8","0.333333","","Kirill Nikitin; Helge Muller-Bunz; Declan Gilheany","Direct evidence of a multicentre halogen bond: unexpected contraction of the P-XXX-P fragment in triphenylphosphine dihalides","Chemical communications (Cambridge, England)","2013","49","14","1434","1436","10.1039/c2cc38363b","","","0.71073","MoKα","","0.0548","0.0446","","","0.118","0.1251","","","","","","1.079","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108844","31.5586","0.0014","16.6386","0.0008","13.6571","0.0006","90","","90","","90","","7171.2","0.6","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C82 H90 Cl4 N4 O3 Pt2 -","- C82 H90 Cl4 N4 O3 Pt2 -","- C328 H360 Cl16 N16 O12 Pt8 -","4","0.5","","Kui, Steven C. F.; Chow, Pui Keong; Cheng, Gang; Kwok, Chi-Chung; Kwong, Chun Lam; Low, Kam-Hung; Che, Chi-Ming","Robust phosphorescent platinum(II) complexes with tetradentate O^N^C^N ligands: high efficiency OLEDs with excellent efficiency stability","Chemical Communications (Cambridge, United Kingdom)","2013","49","15","1497","1499","10.1039/c2cc37862k","","","1.54178","CuKα","","0.0526","0.0481","","","0.1395","0.1433","","","","","","1.087","","","","has coordinates","210839","2020-10-21","18:00:00",""
"7108845","13.5492","0.0019","15.83","0.002","17.648","0.002","95.117","0.003","110.674","0.003","102.438","0.003","3401.3","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C83 H82 Cl2 N4 O2 Pt2 -","- C83 H82 Cl2 N4 O2 Pt2 -","- C166 H164 Cl4 N8 O4 Pt4 -","2","1","","Kui, Steven C. F.; Chow, Pui Keong; Cheng, Gang; Kwok, Chi-Chung; Kwong, Chun Lam; Low, Kam-Hung; Che, Chi-Ming","Robust phosphorescent platinum(II) complexes with tetradentate O^N^C^N ligands: high efficiency OLEDs with excellent efficiency stability","Chemical Communications (Cambridge, United Kingdom)","2013","49","15","1497","1499","10.1039/c2cc37862k","","","1.54178","CuKα","","0.0364","0.0358","","","0.0987","0.0994","","","","","","1.053","","","","has coordinates,has disorder","210829","2020-10-21","18:00:00",""
"7108846","12.306","0.0001","15.6594","0.0002","13.3532","0.0002","90","","92.9406","0.0006","90","","2569.83","0.05","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 B Cl Fe N2 O2 -","- C25 H34 B Cl Fe N2 O2 -","- C100 H136 B4 Cl4 Fe4 N8 O8 -","4","1","","Firinci, Erkan; Bates, Joshua I.; Riddlestone, Ian M.; Phillips, Nicholas; Aldridge, Simon","Coordinative trapping of the boron β-diketiminato system [B(NMesCMe)2CH] via metal-templated synthesis","Chemical Communications (Cambridge, United Kingdom)","2013","49","15","1509","1511","10.1039/c3cc38073d","","","0.71073","MoKα","","0.0577","0.0358","","0.1039","0.081","0.1039","","","","","","0.919","","","","has coordinates","210727","2020-10-21","18:00:00",""
"7108847","13.9947","0.0002","16.4994","0.0002","14.7643","0.0002","90","","95.8847","0.0006","90","","3391.17","0.08","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H44 B Cl Fe N2 O2 -","- C35 H44 B Cl Fe N2 O2 -","- C140 H176 B4 Cl4 Fe4 N8 O8 -","4","1","","Firinci, Erkan; Bates, Joshua I.; Riddlestone, Ian M.; Phillips, Nicholas; Aldridge, Simon","Coordinative trapping of the boron β-diketiminato system [B(NMesCMe)2CH] via metal-templated synthesis","Chemical Communications (Cambridge, United Kingdom)","2013","49","15","1509","1511","10.1039/c3cc38073d","","","0.71073","MoKα","","0.086","0.047","","0.1316","0.0955","0.1314","","","","","","0.9605","","","","has coordinates","210727","2020-10-21","18:00:00",""
"7108848","12.1918","0.0003","16.3393","0.0004","17.0192","0.0005","87.9149","0.0009","87.6232","0.0009","78.9774","0.001","3323.51","0.15","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H56 B2 F24 Fe N2 O2 -","- C67 H56 B2 F24 Fe N2 O2 -","- C134 H112 B4 F48 Fe2 N4 O4 -","2","1","","Firinci, Erkan; Bates, Joshua I.; Riddlestone, Ian M.; Phillips, Nicholas; Aldridge, Simon","Coordinative trapping of the boron β-diketiminato system [B(NMesCMe)2CH] via metal-templated synthesis","Chemical Communications (Cambridge, United Kingdom)","2013","49","15","1509","1511","10.1039/c3cc38073d","","","0.71073","MoKα","","0.1026","0.0714","","0.1827","0.1546","0.1827","","","","","","0.8912","","","","has coordinates,has disorder","210727","2020-10-21","18:00:00",""
"7108849","11.768","0.007","15.158","0.008","15.531","0.008","90.075","0.005","104.37","0.005","103.986","0.011","2599","2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(disulfide)-cryptophane-0.0","bis(disulfide)-cryptophane-0.0","","- C55 H61 N O10 S4 -","- C55 H61 N O10 S4 -","- C110 H122 N2 O20 S8 -","2","1","","Marc A. Little; Malcolm A. Halcrow; Michaele J. Hardie","A bis(disulfide)-linked offset cryptophane","Chemical communications (Cambridge, England)","2013","49","15","1512","1514","10.1039/c3cc38768b","","","0.6889","Synchrotron","","0.066","0.0643","","","0.1804","0.1821","","","","","","1.058","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108850","17.6945","0.0012","17.1374","0.0014","22.847","0.002","90","","105.313","0.008","90","","6682.1","1","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H70 Eu N6 O14 P3 -","- C69 H70 Eu N6 O14 P3 -","- C276 H280 Eu4 N24 O56 P12 -","4","1","","James W. Walton; Adrien Bourdolle; Stephen J. Butler; Marine Soulie; Martina Delbianco; Brian K. McMahon; Robert Pal; Horst Puschmann; Jurriaan M. Zwier; Laurent Lamarque; Olivier Maury; Chantal Andraud; David Parker","Very bright europium complexes that stain cellular mitochondria","Chemical communications (Cambridge, England)","2013","49","16","1600","1602","10.1039/c2cc35247h","","","0.7107","MoKα","","0.1847","0.1292","","","0.1749","0.195","","","","","","1.201","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108851","9.8967","0.0007","10.936","0.0008","11.3457","0.0007","65.996","0.005","66.173","0.006","65.291","0.006","977.72","0.13","195","1","195","1","","","","","","","","6","P -1","-P 1","2","(Rh2(p-F-PhCO2)4(phz))","","","- C40 H24 F4 N2 O8 Rh2 -","- C40 H24 F4 N2 O8 Rh2 -","- C40 H24 F4 N2 O8 Rh2 -","1","0.5","","Kosaka, Wataru; Yamagishi, Kayo; Yoshida, Hiroki; Matsuda, Ryotaro; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","CO2 superabsorption in a paddlewheel-type Ru dimer chain compound: gate-open performance dependent on inter-chain interactions.","Chemical Communications (Cambridge, United Kingdom)","2013","49","16","1594","1596","10.1039/c2cc36153a","powder diffraction","","0.79909","synchrotron","","0.00427","","","","","","0.00425","0.00966","3.8091","","","","","","","has coordinates","210728","2020-10-21","18:00:00",""
"7108852","9.977","0.003","11.801","0.004","20.095","0.006","90","","90.418","0.004","90","","2365.9","1.3","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H34 F4 N4 O12 Rh2 -","- C52 H34 F4 N4 O12 Rh2 -","- C104 H68 F8 N8 O24 Rh4 -","2","0.5","","Kosaka, Wataru; Yamagishi, Kayo; Yoshida, Hiroki; Matsuda, Ryotaro; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","CO2 superabsorption in a paddlewheel-type Ru dimer chain compound: gate-open performance dependent on inter-chain interactions.","Chemical Communications (Cambridge, United Kingdom)","2013","49","16","1594","1596","10.1039/c2cc36153a","","","0.7107","MoKα","","","0.0818","","","","0.1645","","","","","","1.127","","","","has coordinates","210728","2020-10-21","18:00:00",""
"7108853","9.9825","0.0008","10.9906","0.0008","11.4527","0.0007","65.866","0.005","66.143","0.006","65.088","0.007","998.22","0.14","195","1","195","1","","","","","","","","6","P -1","-P 1","2","(Ru2(p-F-PhCO2)4(phz))","","","- C40 H24 F4 N2 O8 Ru2 -","- C40 H24 F4 N2 O8 Ru2 -","- C40 H24 F4 N2 O8 Ru2 -","1","0.5","","Kosaka, Wataru; Yamagishi, Kayo; Yoshida, Hiroki; Matsuda, Ryotaro; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","CO2 superabsorption in a paddlewheel-type Ru dimer chain compound: gate-open performance dependent on inter-chain interactions.","Chemical Communications (Cambridge, United Kingdom)","2013","49","16","1594","1596","10.1039/c2cc36153a","powder diffraction","","0.79902","synchrotron","","0.00901","","","","","","0.00901","0.01905","4.1355","","","","","","","has coordinates","210728","2020-10-21","18:00:00",""
"7108854","10.064","0.003","11.778","0.004","20.097","0.006","90","","91.221","0.005","90","","2381.6","1.3","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H34 F4 N4 O12 Ru2 -","- C52 H34 F4 N4 O12 Ru2 -","- C104 H68 F8 N8 O24 Ru4 -","2","0.5","","Kosaka, Wataru; Yamagishi, Kayo; Yoshida, Hiroki; Matsuda, Ryotaro; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi","CO2 superabsorption in a paddlewheel-type Ru dimer chain compound: gate-open performance dependent on inter-chain interactions.","Chemical Communications (Cambridge, United Kingdom)","2013","49","16","1594","1596","10.1039/c2cc36153a","","","0.71075","MoKα","","","0.0941","","","","0.2245","","","","","","1.249","","","","has coordinates","210728","2020-10-21","18:00:00",""
"7108855","16.078","0.017","7.506","0.008","11.069","0.012","90","","104.368","0.01","90","","1294","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H20 O5 -","- C13 H20 O5 -","- C52 H80 O20 -","4","1","","Qing-Wei Zhang; Xiao-Bo Zhang; Bao-Sheng Li; Kai Xiang; Fu-Min Zhang; Shao-Hua Wang; Yong-Qiang Tu","Catalytic intermolecular carbon electrophile induced semipinacol rearrangement","Chemical communications (Cambridge, England)","2013","49","16","1648","1650","10.1039/c2cc38585f","","","0.71073","MoKα","","0.0824","0.0523","","","0.1332","0.1533","","","","","","1.072","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108856","8.055","0.009","17.91","0.02","20.02","0.02","75.487","0.011","79.846","0.012","81.246","0.011","2734","5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H37 Br N2 O6 Si -","- C25 H37 Br N2 O6 Si -","- C100 H148 Br4 N8 O24 Si4 -","4","2","","Qing-Wei Zhang; Xiao-Bo Zhang; Bao-Sheng Li; Kai Xiang; Fu-Min Zhang; Shao-Hua Wang; Yong-Qiang Tu","Catalytic intermolecular carbon electrophile induced semipinacol rearrangement","Chemical communications (Cambridge, England)","2013","49","16","1648","1650","10.1039/c2cc38585f","","","0.71073","MoKα","","0.1507","0.0698","","","0.1858","0.2174","","","","","","1.057","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108857","6.7414","0.0002","8.5308","0.0002","20.28","0.0004","90","","94.853","0.001","90","","1162.11","0.05","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H28 N2 O5 -","- C24 H28 N2 O5 -","- C48 H56 N4 O10 -","2","1","","Alexandre Jean; Jerome Blanchet; Jacques Rouden; Jacques Maddaluno; Michael De Paolis","Stereoselective access to heteroarylmethylene-substituted pyrrolidines: fully organocatalytic Mannich-hydroamination reactions","Chemical communications (Cambridge, England)","2013","49","16","1651","1653","10.1039/c2cc38954a","","","0.71073","MoKα","","0.0569","0.0462","","","0.1247","0.1335","","","","","","1.03","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108858","46.2462","0.0008","15.5937","0.0003","37.854","0.003","90","","123.814","0.009","90","","22681","3","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C184 H162 B8 F32 Fe4 N62 O12 -","- C184 H162 B8 F32 Fe4 N62 O12 -","- C736 H648 B32 F128 Fe16 N248 O48 -","4","0.5","","Ferguson, Alan; Squire, Marie A.; Siretanu, Diana; Mitcov, Dmitri; Mathonière, Corine; Clérac, Rodolphe; Kruger, Paul E.","A face-capped [Fe~4~L~4~]^8+^ spin crossover tetrahedral cage.","Chemical Communications (Cambridge, United Kingdom)","2013","49","16","1597","1599","10.1039/c3cc00012e","","","1.54178","CuKα","","0.1571","0.1416","","","0.4086","0.4335","","","","","","1.6","","","","has coordinates,has disorder","210744","2020-10-21","18:00:00",""
"7108859","46.627","0.007","15.8882","0.0013","40.415","0.005","90","","127.15","0.02","90","","23864","8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C144 H107 B8 F32 Fe4 N48 O12 -","- C144 H107 B8 F32 Fe4 N48 O12 -","- C576 H428 B32 F128 Fe16 N192 O48 -","4","0.5","","Ferguson, Alan; Squire, Marie A.; Siretanu, Diana; Mitcov, Dmitri; Mathonière, Corine; Clérac, Rodolphe; Kruger, Paul E.","A face-capped [Fe~4~L~4~]^8+^ spin crossover tetrahedral cage.","Chemical Communications (Cambridge, United Kingdom)","2013","49","16","1597","1599","10.1039/c3cc00012e","","","0.7107","MoKα","","0.2379","0.127","","","0.3073","0.3563","","","","","","0.919","","","","has coordinates,has disorder","210744","2020-10-21","18:00:00",""
"7108860","11.1001","0.0006","11.1001","0.0006","8.4055","0.0007","90","","90","","90","","1035.66","0.12","228","2","228","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C20 H16 Cu F6 N4 Ti -","- C20 H16 Cu F6 N4 Ti -","- C20 H16 Cu F6 N4 Ti -","1","0.0625","","Patrick Nugent; Vanessah Rhodus; Tony Pham; Brant Tudor; Katherine Forrest; Lukasz Wojtas; Brian Space; Michael Zaworotko","Enhancement of CO2 selectivity in a pillared pcu MOM platform through pillar substitution","Chemical communications (Cambridge, England)","2013","49","16","1606","1608","10.1039/c3cc37695h","","","1.54178","CuKα","","0.0385","0.0362","","","0.1083","0.1095","","","","","","1.054","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108861","11.116","0.005","11.116","0.005","8.627","0.005","90","","90","","90","","1066","0.9","228","2","228","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C20 H16 Cu F6 N4 Sn -","- C20 H16 Cu F6 N4 Sn -","- C20 H16 Cu F6 N4 Sn -","1","0.0625","","Patrick Nugent; Vanessah Rhodus; Tony Pham; Brant Tudor; Katherine Forrest; Lukasz Wojtas; Brian Space; Michael Zaworotko","Enhancement of CO2 selectivity in a pillared pcu MOM platform through pillar substitution","Chemical communications (Cambridge, England)","2013","49","16","1606","1608","10.1039/c3cc37695h","","","1.54178","CuKα","","0.0328","0.0317","","","0.0732","0.0748","","","","","","1.188","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108862","9.7194","0.0011","8.3104","0.001","17.6639","0.0019","90","","97.935","0.002","90","","1413.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Mu-Wang Chen; Liang-Liang Cao; Zhi-Shi Ye; Guo-Fang Jiang; Yong-Gui Zhou","A mild method for generation of o-quinone methides under basic conditions. The facile synthesis of trans-2,3-dihydrobenzofurans","Chemical communications (Cambridge, England)","2013","49","16","1660","1662","10.1039/c3cc37800d","","","0.71073","MoKα","","0.0711","0.0515","","","0.1346","0.1509","","","","","","1.017","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108863","12.3743","0.0008","14.5842","0.0007","21.9435","0.0015","90","","104.821","0.004","90","","3828.4","0.4","123","2","123","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H49 Dy N2 O23 -","- C28 H20 Dy N2 O9 -","- C112 H80 Dy4 N8 O36 -","4","1","","Jian-Ke Sun; Min Ji; Cheng Chen; Wu-Gen Wang; Peng Wang; Rui-Ping Chen; Jie Zhang","A charge-polarized porous metal-organic framework for gas chromatographic separation of alcohols from water","Chemical communications (Cambridge, England)","2013","49","16","1624","1626","10.1039/c3cc38260e","","","0.71073","MoKα","","0.0429","0.0362","","","0.0958","0.0989","","","","","","0.967","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108864","8.0892","0.0003","18.1126","0.0016","19.1621","0.0007","90","","90","","90","","2807.6","0.3","293.04","0.1","293.04","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H28 N4 O2 S -","- C34 H28 N4 O2 S -","- C136 H112 N16 O8 S4 -","4","1","","Qiao Chen; Jinyan Liang; Shoulei Wang; Dong Wang; Rui Wang","An asymmetric approach toward chiral multicyclic spirooxindoles from isothiocyanato oxindoles and unsaturated pyrazolones by a chiral tertiary amine thiourea catalyst","Chemical communications (Cambridge, England)","2013","49","16","1657","1659","10.1039/c3cc38386e","","","0.7107","MoKα","","0.0575","0.0464","","","0.0949","0.1028","","","","","","1.094","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108865","6.9154","0.0015","9.5271","0.0019","10.1385","0.0017","86.286","0.013","89.883","0.014","78.867","0.014","654","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 N4 S3 -","- C13 H9 N4 S3 -","- C26 H18 N8 S6 -","2","1","","Stephen M. Winter; Aidin R. Balo; Ryan J. Roberts; Kristina Lekin; Abdeljalil Assoud; Paul A. Dube; Richard T. Oakley","Hybrid dithiazolothiadiazinyl radicals; versatile building blocks for magnetic and conductive materials","Chemical communications (Cambridge, England)","2013","49","16","1603","1605","10.1039/c3cc38503e","","","0.71073","MoKα","","0.1243","0.0712","","","0.1325","0.1422","","","","","","1.619","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108866","4.8275","0.0001","15.9086","0.0003","16.116","0.0004","90","","90","","90","","1237.69","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 N4 S4 -","- C11 H7 N4 S4 -","- C44 H28 N16 S16 -","4","1","","Stephen M. Winter; Aidin R. Balo; Ryan J. Roberts; Kristina Lekin; Abdeljalil Assoud; Paul A. Dube; Richard T. Oakley","Hybrid dithiazolothiadiazinyl radicals; versatile building blocks for magnetic and conductive materials","Chemical communications (Cambridge, England)","2013","49","16","1603","1605","10.1039/c3cc38503e","","","1.54178","CuKα","","0.0729","0.0703","","","0.1815","0.1844","","","","","","1.062","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108867","7.4803","0.0008","13.4027","0.0014","13.7401","0.0014","97.037","0.001","95.374","0.001","104.663","0.001","1311.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","09041a","","","- C30.5 H18.5 Cl3.5 N2 O4 -","- C30.5 H18.5 Cl3.5 N2 O4 -","- C61 H37 Cl7 N4 O8 -","2","1","","Mintu Porel; Vijayakumar Ramalingam; Maciej E. Domaradzki; Victor G. Young; Vaidyanathan Ramamurthy; Rajeev S. Muthyala","Chloride sensing via suppression of excited state intramolecular proton transfer in squaramides","Chemical communications (Cambridge, England)","2013","49","16","1633","1635","10.1039/c3cc38767d","","","0.71073","MoKα","","0.0723","0.0477","","","0.1078","0.1195","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108868","23.135","0.003","23.325","0.003","23.341","0.003","102.793","0.002","91.669","0.002","90.17","0.002","12277","3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C225 H210 I14.45 N8 O23 -","- C225 H210 I14.45 N8 O23 -","- C450 H420 I28.9 N16 O46 -","2","1","","Kohei Yazaki; Norifumi Kishi; Munetaka Akita; Michito Yoshizawa","A bowl-shaped organic host using bispyridine ligands: selective encapsulation of carbonyl guests in water","Chemical communications (Cambridge, England)","2013","49","16","1630","1632","10.1039/c3cc38869g","","","0.71073","MoKα","","0.1711","0.1302","","","0.3669","0.3907","","","","","","1.319","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108869","31.864","0.005","31.864","0.005","12.846","0.003","90","","90","","120","","11295","4","153","2","153","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C138 H116 N6 O46 Zn6 -","- C138 H116.02 N6 O46 Zn6 -","- C414 H348.06 N18 O138 Zn18 -","3","0.166667","","Gui-lei Liu; Yong-jie Qin; Lei Jing; Gui-yuan Wei; Hui Li","Two novel MOF-74 analogs exhibiting unique luminescent selectivity","Chemical communications (Cambridge, England)","2013","49","17","1699","1701","10.1039/c2cc37140e","","","0.71073","MoKα","","0.074","0.0659","","","0.174","0.1809","","","","","","1.06","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108870","31.8565","0.0009","31.8565","0.0009","12.6269","0.0006","90","","90","","120","","11097.5","0.7","93","2","93","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C47 H36 N2 O15 Zn2 -","- C47 H36 N2 O15.006 Zn2 -","- C423 H324 N18 O135.054 Zn18 -","9","0.5","","Gui-lei Liu; Yong-jie Qin; Lei Jing; Gui-yuan Wei; Hui Li","Two novel MOF-74 analogs exhibiting unique luminescent selectivity","Chemical communications (Cambridge, England)","2013","49","17","1699","1701","10.1039/c2cc37140e","","","0.71073","MoKα","","0.0829","0.0789","","","0.1844","0.187","","","","","","1.083","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108871","13.9586","0.0009","18.4257","0.0014","28.917","0.003","90","","90","","90","","7437.4","1.1","298","2","298","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H88 Dy3 Fe6 N31 O27 -","- C42 H88 Dy3 Fe6 N31 O27 -","- C168 H352 Dy12 Fe24 N124 O108 -","4","0.5","","Schmidt, Sebastian; Prodius, Denis; Mereacre, Valeriu; Kostakis, George E.; Powell, Annie K.","Unprecedented chemical transformation: crystallographic evidence for 1,1,2,2-tetrahydroxyethane captured within an Fe~6~Dy~3~ single molecule magnet","Chemical Communications (Cambridge, United Kingdom)","2013","49","17","1696","1698","10.1039/c2cc38006d","","","0.71073","MoKα","","0.1225","0.061","","","0.1191","0.1364","","","","","","1.014","","","","has coordinates,has disorder","210830","2020-10-21","18:00:00",""
"7108872","9.3517","0.0011","21.188","0.003","10.1099","0.0012","90","","108.796","0.002","90","","1896.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Cl N2 O3 -","- C22 H13 Cl N2 O3 -","- C88 H52 Cl4 N8 O12 -","4","1","","Yan Yang; Wen-Ming Shu; Shang-Bo Yu; Fan Ni; Meng Gao; An-Xin Wu","Auto-tandem catalysis: synthesis of 4H-pyrido[1,2-a]pyrimidin-4-ones via copper-catalyzed aza-Michael addition-aerobic dehydrogenation-intramolecular amidation","Chemical communications (Cambridge, England)","2013","49","17","1729","1731","10.1039/c3cc38131e","","","0.71073","MoKα","","0.0616","0.0506","","","0.1546","0.1672","","","","","","1.045","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108873","8.7681","0.0013","8.9732","0.0014","16.456","0.003","86.719","0.002","88.205","0.002","64.921","0.002","1170.7","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 N2 O4 -","- C28 H22 N2 O4 -","- C56 H44 N4 O8 -","2","1","","Yan Yang; Wen-Ming Shu; Shang-Bo Yu; Fan Ni; Meng Gao; An-Xin Wu","Auto-tandem catalysis: synthesis of 4H-pyrido[1,2-a]pyrimidin-4-ones via copper-catalyzed aza-Michael addition-aerobic dehydrogenation-intramolecular amidation","Chemical communications (Cambridge, England)","2013","49","17","1729","1731","10.1039/c3cc38131e","","","0.71073","MoKα","","0.0626","0.0594","","","0.18","0.1824","","","","","","1.112","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108874","9.0326","0.0006","22.2434","0.0014","9.4427","0.0006","90","","114.527","0.003","90","","1726","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H40 B Cr N3 O5 Si2 -","- C31 H40 B Cr N3 O5 Si2 -","- C62 H80 B2 Cr2 N6 O10 Si4 -","2","1","","Holger Braunschweig; Thomas Herbst; Krzysztof Radacki; Christopher W. Tate; Alfredo Vargas","Cyclic (amino)(imino)carbene complexes by borylene transfer to isocyanides","Chemical communications (Cambridge, England)","2013","49","17","1702","1704","10.1039/c3cc38379b","","","0.71073","MoKα","","0.0334","0.0285","","","0.0692","0.071","","","","","","1.028","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108875","20.1795","0.0009","11.1226","0.0005","18.0696","0.0008","90","","103.233","0.002","90","","3948","0.3","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C37 H52 B Cr N3 O5 Si2 -","- C37 H52 B Cr N3 O5 Si2 -","- C148 H208 B4 Cr4 N12 O20 Si8 -","4","2","","Holger Braunschweig; Thomas Herbst; Krzysztof Radacki; Christopher W. Tate; Alfredo Vargas","Cyclic (amino)(imino)carbene complexes by borylene transfer to isocyanides","Chemical communications (Cambridge, England)","2013","49","17","1702","1704","10.1039/c3cc38379b","","","0.71073","MoKα","","0.0642","0.045","","","0.1039","0.1131","","","","","","1.014","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108876","35.1938","0.0001","35.1938","0.0001","35.1938","0.0001","90","","90","","90","","43591.2","0.2","150","2","150","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C270 H368 Mg16 N26 O143 -","- C192 H112 Mg16 O104 -","- C1152 H672 Mg96 O624 -","6","0.0625","","Yong-Liang Huang; Yun-Nan Gong; Long Jiang; Tong-Bu Lu","A unique magnesium-based 3D MOF with nanoscale cages and temperature dependent selective gas sorption properties","Chemical communications (Cambridge, England)","2013","49","17","1753","1755","10.1039/c3cc38730e","","","1.54178","CuKα","","0.1712","0.1487","","","0.2497","0.2602","","","","","","1.008","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108877","34.618","0.01","10.229","0.003","22.447","0.007","90","","92.266","0.004","90","","7942","4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","C2Dicat","","","- C83 H104 Br2 N4 O27 -","- C83 H102 Br2 N4 O27 -","- C332 H408 Br8 N16 O108 -","4","0.5","","Drew A. Fowler; Jerry L. Atwood; Gary A. Baker","Formation of a dimeric host-guest complex via binding between a dicationic ionic liquid and a pyrogallol[4]arene macrocycle","Chemical communications (Cambridge, England)","2013","49","18","1802","1804","10.1039/c3cc37345b","","","0.71073","MoKα","","0.1003","0.0531","","","0.1104","0.1315","","","","","","1.011","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108878","12.8019","0.0002","20.4511","0.0004","27.5592","0.0005","90","","90","","90","","7215.4","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit(6)uril/adrenaline inclusion complex","","","- C54 H94 Cl2 N26 O33 -","- C54 H68 Cl2 N26 O32.78 -","- C216 H272 Cl8 N104 O131.12 -","4","1","","Oksana Danylyuk; Vladimir P. Fedin; Volodymyr Sashuk","Kinetic trapping of the host-guest association intermediate and its transformation into a thermodynamic inclusion complex","Chemical communications (Cambridge, England)","2013","49","18","1859","1861","10.1039/c3cc37868c","","","0.71073","MoKα","","0.0837","0.0783","","","0.1925","0.1981","","","","","","1.11","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108879","12.6226","0.0002","15.7655","0.0003","31.0112","0.0006","90","","90","","90","","6171.28","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","cucurbit(6)uril/adrenaline exclusion complex","","","- C45 H78 Cl N25 O29 -","- C45 H70.812 Cl N25 O29 -","- C180 H283.248 Cl4 N100 O116 -","4","1","","Oksana Danylyuk; Vladimir P. Fedin; Volodymyr Sashuk","Kinetic trapping of the host-guest association intermediate and its transformation into a thermodynamic inclusion complex","Chemical communications (Cambridge, England)","2013","49","18","1859","1861","10.1039/c3cc37868c","","","0.71073","MoKα","","0.1164","0.0807","","","0.1748","0.1918","","","","","","1.027","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108880","12.461","0.0002","15.7685","0.0002","19.4788","0.0003","90","","102.946","0.002","90","","3730.13","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","cucurbit(6)uril/neutral adrenaline inclusion complex","","","- C54 H98 N26 O36 -","- C54 H62 N26 O35.561 -","- C108 H124 N52 O71.122 -","2","1","","Oksana Danylyuk; Vladimir P. Fedin; Volodymyr Sashuk","Kinetic trapping of the host-guest association intermediate and its transformation into a thermodynamic inclusion complex","Chemical communications (Cambridge, England)","2013","49","18","1859","1861","10.1039/c3cc37868c","","","1.54184","CuKα","","0.0859","0.0774","","","0.2228","0.2355","","","","","","1.054","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108881","12.7909","0.0002","14.3424","0.0002","15.1838","0.0003","79.1383","0.001","72.6759","0.001","73.2359","0.001","2530.05","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","cucurbit(6)uril/dimerized adrenaline inclusion complex","","","- C72 H134 Cl6 N28 O44 -","- C72 H125.192 Cl6 N28 O43.61 -","- C72 H125.192 Cl6 N28 O43.61 -","1","0.5","","Oksana Danylyuk; Vladimir P. Fedin; Volodymyr Sashuk","Kinetic trapping of the host-guest association intermediate and its transformation into a thermodynamic inclusion complex","Chemical communications (Cambridge, England)","2013","49","18","1859","1861","10.1039/c3cc37868c","","","0.71073","MoKα","","0.0854","0.0708","","","0.1837","0.1952","","","","","","0.962","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108882","7.2716","0.0013","21.676","0.004","7.303","0.0013","90","","93.965","0.002","90","","1148.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Co N8 O4 -","- C6 H10 Co N8 O4 -","- C24 H40 Co4 N32 O16 -","4","1","","Xiu-Bing Li; Guang-Mei Zhuang; Xuan Wang; Kun Wang; En-Qing Gao","Field-modified multiple slow relaxations in a metamagnet composed of cobalt(II) chains with mixed azide and tetrazolate bridges","Chemical communications (Cambridge, England)","2013","49","18","1814","1816","10.1039/c3cc38082c","","","0.71073","MoKα","","0.1124","0.0713","","","0.1879","0.222","","","","","","1.049","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108883","30.233","0.002","30.233","0.002","22.671","0.003","90","","90","","90","","20722","3","150","2","150","2","","","","","","","","5","I -4 c 2","I -4 -2c","120","","","","- C87 H153 N17 Ni3 O27 -","- C75 H102 N17 Ni3 O12 -","- C600 H816 N136 Ni24 O96 -","8","0.5","","Ping Ju; Long Jiang; Tong-Bu Lu","An unprecedented dynamic porous metal-organic framework assembled from fivefold interlocked closed nanotubes with selective gas adsorption behaviors","Chemical communications (Cambridge, England)","2013","49","18","1820","1822","10.1039/c3cc38519a","","","1.5418","CuKα","","0.18","0.1244","","","0.1931","0.2066","","","","","","1.077","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108884","8.2272","0.0011","16.486","0.002","15.625","0.002","90","","93.407","0.002","90","","2115.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H31 Cl2 N5 Ni O9 -","- C13 H31 Cl2 N5 Ni O9 -","- C52 H124 Cl8 N20 Ni4 O36 -","4","1","","Ping Ju; Long Jiang; Tong-Bu Lu","An unprecedented dynamic porous metal-organic framework assembled from fivefold interlocked closed nanotubes with selective gas adsorption behaviors","Chemical communications (Cambridge, England)","2013","49","18","1820","1822","10.1039/c3cc38519a","","","0.71073","MoKα","","0.0619","0.0533","","","0.1371","0.1428","","","","","","1.061","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108885","10.617","0.002","16.479","0.003","14.578","0.002","90","","93.59","0.02","90","","2545.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 Cl F6 N3 Si -","- C24 H28 Cl F6 N3 Si -","- C96 H112 Cl4 F24 N12 Si4 -","4","1","","Ramachandran Azhakar; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Metal free and selective activation of one C-F bond in a bound CF3 group","Chemical communications (Cambridge, England)","2013","49","18","1841","1843","10.1039/c3cc38669d","","","0.71073","MoKα","","0.0652","0.0399","","","0.0839","0.0904","","","","","","1.042","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108886","16.937","0.006","20.574","0.006","10.082","0.004","90","","90","","90","","3513","2","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C38 H45 F6 N3 Si -","- C38 H45 F6 N3 Si -","- C152 H180 F24 N12 Si4 -","4","0.5","","Ramachandran Azhakar; Herbert W. Roesky; Hilke Wolf; Dietmar Stalke","Metal free and selective activation of one C-F bond in a bound CF3 group","Chemical communications (Cambridge, England)","2013","49","18","1841","1843","10.1039/c3cc38669d","","","0.71073","MoKα","","0.0548","0.0388","","","0.0902","0.0971","","","","","","1.055","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108887","14.9174","0.0006","22.8283","0.0007","16.932","0.0006","90","","113.615","0.004","90","","5283.1","0.4","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 Cl2 N14 O11 -","- C48 H66 Cl2 N14 O11 -","- C192 H264 Cl8 N56 O44 -","4","1","","Hongjun Zhou; Zhi Wang; Chao Gao; Jingsong You; Ge Gao","Synthesis and characterization of a luminescent and fully rigid tetrakisimidazolium macrocycle","Chemical communications (Cambridge, England)","2013","49","18","1832","1834","10.1039/c3cc38914f","","","0.7107","MoKα","","0.1008","0.0743","","","0.1843","0.2037","","","","","","1.062","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108888","6.3649","0.0005","14.6411","0.0011","15.9618","0.0012","90","","101.004","0.009","90","","1460.1","0.2","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Cl4 Fe N2 O2 -","- C7 H11 Cl4 Fe N2 O2 -","- C28 H44 Cl16 Fe4 N8 O8 -","4","1","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.04","0.035","","","0.0879","0.091","","","","","","1.073","","","","has coordinates","209773","2020-10-21","18:00:00",""
"7108889","12.6816","0.0009","26.2169","0.0014","15.5404","0.001","90","","109.243","0.005","90","","4878.1","0.6","150","2","150","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C36 H64 Cl28 Fe10 N12 O21 -","- C36 H48 Cl28 Fe10 N12 O16 -","- C72 H96 Cl56 Fe20 N24 O32 -","2","0.5","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.0857","0.0596","","","0.1594","0.1726","","","","","","0.999","","","","has coordinates,has disorder","209773","2020-10-21","18:00:00",""
"7108890","12.7495","0.0004","15.532","0.0005","26.1211","0.0007","90.846","0.002","91.244","0.002","108.346","0.002","4907.3","0.3","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H70 Cl28 Fe10 N12 O19 -","- C41 H60 Cl27.36 Fe10 N12 O19 -","- C82 H120 Cl54.72 Fe20 N24 O38 -","2","1","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.0809","0.0701","","","0.2023","0.2169","","","","","","1.06","","","","has coordinates,has disorder","209773","2020-10-21","18:00:00",""
"7108891","13.3201","0.0006","13.3201","0.0006","24.738","0.0013","90","","90","","120","","3801.1","0.3","200","2","200","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C36 H68 Cl16 Fe6 N12 O23 -","- C36 H66 Cl16 Fe6 N12 O23 -","- C72 H132 Cl32 Fe12 N24 O46 -","2","0.166667","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.0583","0.0457","","","0.1159","0.1226","","","","","","1.066","","","","has coordinates,has disorder","209773","2020-10-21","18:00:00",""
"7108892","14.9606","0.0004","15.5623","0.0004","27.4325","0.0009","93.562","0.002","101.381","0.002","115.135","0.002","5591.2","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H58.86 F42 Fe3 N19 O46.43 S14 -","- C50 H58 F42 Fe3 N19 O46.43 S14 -","- C100 H116 F84 Fe6 N38 O92.86 S28 -","2","1","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.0956","0.0579","","","0.1464","0.1603","","","","","","0.993","","","","has coordinates,has disorder","209773","2020-10-21","18:00:00",""
"7108893","24.8363","0.0012","13.7847","0.0007","27.4404","0.0019","90","","90","","90","","9394.5","0.9","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H68 Cl25 Fe9 N6 O20 -","- C48 H64 Cl25 Fe9 N6 O20 -","- C192 H256 Cl100 Fe36 N24 O80 -","4","0.5","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.1064","0.0768","","","0.1977","0.2165","","","","","","1.032","","","","has coordinates,has disorder","209773","2020-10-21","18:00:00",""
"7108894","8.3319","0.0007","21.0439","0.0019","24.947","0.002","100.891","0.001","90.379","0.001","96.996","0.001","4261.4","0.6","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C19 H37 F12 N2 O18 P3 S4 U -","- C19 H37 F12 N2 O18 P3 S4 U -","- C76 H148 F48 N8 O72 P12 S16 U4 -","4","2","","Xiao-Yan Chen; George S. Goff; Mauricio Quiroz-Guzman; Daniel P. Fagnant; Joan F. Brennecke; Brian L. Scott; Wolfgang Runde","Directed nucleation of monomeric and dimeric uranium(VI) complexes with a room temperature carboxyl-functionalized phosphonium ionic liquid","Chemical communications (Cambridge, England)","2013","49","19","1903","1905","10.1039/c2cc38255e","","","0.71073","MoKα","","0.0501","0.0326","","","0.0603","0.0651","","","","","","1.024","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108895","14.9671","0.0007","17.1019","0.0008","17.3543","0.0008","87.02","0.001","77.318","0.001","74.0413","0.0004","4166.5","0.3","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C38 H66 F24 N4 O32 P6 S8 U2 -","- C38 H66 F24 N4 O32 P6 S8 U2 -","- C76 H132 F48 N8 O64 P12 S16 U4 -","2","1","","Xiao-Yan Chen; George S. Goff; Mauricio Quiroz-Guzman; Daniel P. Fagnant; Joan F. Brennecke; Brian L. Scott; Wolfgang Runde","Directed nucleation of monomeric and dimeric uranium(VI) complexes with a room temperature carboxyl-functionalized phosphonium ionic liquid","Chemical communications (Cambridge, England)","2013","49","19","1903","1905","10.1039/c2cc38255e","","","0.71073","MoKα","","0.0321","0.0237","","","0.0509","0.0535","","","","","","1.06","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108896","19.372","0.008","6.401","0.003","14.653","0.008","90","","96.56","0.05","90","","1805.1","1.5","294","2","294","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Mercedes Amat; Carlos Ramos; Maria Perez; Elies Molins; Pedro Florindo; Maria M. M. Santos; Joan Bosch","Enantioselective formal synthesis of ent-rhynchophylline and ent-isorhynchophylline","Chemical communications (Cambridge, England)","2013","49","19","1954","1956","10.1039/c2cc38540f","","x-ray","0.71073","MoKα","","0.1481","0.0763","","","0.1875","0.2214","","","","","","1.017","","","","has coordinates,has disorder","180192","2020-10-21","18:00:00",""
"7108897","7.49","0.003","16.436","0.018","17.817","0.011","90","","90","","90","","2193","3","294","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 N2 O5 S -","- C24 H26 N2 O5 S -","- C96 H104 N8 O20 S4 -","4","1","","Mercedes Amat; Carlos Ramos; Maria Perez; Elies Molins; Pedro Florindo; Maria M. M. Santos; Joan Bosch","Enantioselective formal synthesis of ent-rhynchophylline and ent-isorhynchophylline","Chemical communications (Cambridge, England)","2013","49","19","1954","1956","10.1039/c2cc38540f","","x-ray","0.71073","MoKα","","0.2321","0.0737","","","0.1141","0.1463","","","","","","0.859","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108898","7.705","0.0002","20.5764","0.0007","25.2321","0.0008","90","","96.087","0.002","90","","3977.8","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28.5 H17.5 Cl15 N2.5 O8.5 Yb -","- C28.5 H14 Cl15 N2.5 O8.5 Yb -","- C114 H56 Cl60 N10 O34 Yb4 -","4","1","","Ignacio Hernandez; You-Xuan Zheng; Majid Motevalli; Rendy H. C. Tan; William P. Gillin; Peter B. Wyatt","Efficient sensitized emission in Yb(III) pentachlorotropolonate complexes","Chemical communications (Cambridge, England)","2013","49","19","1933","1935","10.1039/c3cc38610d","","","0.71073","MoKα","","0.0861","0.0591","","","0.118","0.1308","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108899","16.649","0.01","11.043","0.006","18.579","0.011","90","","114.617","0.01","90","","3105","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Cl4 N2 O2 Pd -","- C31 H32 N2 O2 Pd -","- C124 H128 N8 O8 Pd4 -","4","1","","Warren B. Cross; Eric G. Hope; Yi-Hsien Lin; Stuart A. Macgregor; Kuldip Singh; Gregory A. Solan; Nurhusna Yahya","N,N-Chelate-control on the regioselectivity in acetate-assisted C-H activation","Chemical communications (Cambridge, England)","2013","49","19","1918","1920","10.1039/c3cc38697j","","","0.71073","MoKα","","0.0969","0.0627","","","0.1406","0.1514","","","","","","0.906","","","","has coordinates","180192","2020-10-21","18:00:00",""
"7108900","8.965","0.003","15.135","0.005","20.959","0.007","90","","90.929","0.006","90","","2843.5","1.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H39 N2 O3.5 Pd -","- C32 H36 N2 O2 Pd -","- C128 H144 N8 O8 Pd4 -","4","1","","Warren B. Cross; Eric G. Hope; Yi-Hsien Lin; Stuart A. Macgregor; Kuldip Singh; Gregory A. Solan; Nurhusna Yahya","N,N-Chelate-control on the regioselectivity in acetate-assisted C-H activation","Chemical communications (Cambridge, England)","2013","49","19","1918","1920","10.1039/c3cc38697j","","","0.71073","MoKα","","0.0895","0.0608","","","0.1318","0.1408","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108901","30.215","0.01","11.882","0.004","12.283","0.004","90","","106.179","0.005","90","","4235","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 Cl2 N O3 Pd -","- C21 H21 Cl2 N O3 Pd -","- C168 H168 Cl16 N8 O24 Pd8 -","8","1","","Warren B. Cross; Eric G. Hope; Yi-Hsien Lin; Stuart A. Macgregor; Kuldip Singh; Gregory A. Solan; Nurhusna Yahya","N,N-Chelate-control on the regioselectivity in acetate-assisted C-H activation","Chemical communications (Cambridge, England)","2013","49","19","1918","1920","10.1039/c3cc38697j","","","0.71073","MoKα","","0.1215","0.0748","","","0.1648","0.1864","","","","","","0.951","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108902","23.784","0.0006","24.4109","0.0006","7.39788","0.00015","90","","90","","90","","4295.13","0.17","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H31 N2 O8 P -","- C16 H31 N2 O8 P -","- C128 H248 N16 O64 P8 -","8","2","","Pance Naumov; Nobuhiro Yasuda; Wael M. Rabeh; Joel Bernstein","The elusive crystal structure of the neuraminidase inhibitor Tamiflu (oseltamivir phosphate): molecular details of action","Chemical communications (Cambridge, England)","2013","49","19","1948","1950","10.1039/c3cc38801h","","","0.83073","Synchrotron","","0.107","0.0583","","","0.1187","0.1449","","","","","","1.039","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108903","5.925","0.0004","10.9299","0.0007","22.928","0.0019","90","","90","","90","","1484.81","0.19","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 B N2 -","- C16 H21 B N2 -","- C64 H84 B4 N8 -","4","1","","Peter Bellham; Michael S. Hill; Gabriele Kociok-Kohn; David J. Liptrot","Bespoke synthesis of unsymmetrical diaminoboranes by alkaline earth catalysis","Chemical communications (Cambridge, England)","2013","49","19","1960","1962","10.1039/c3cc39072a","","","0.71073","MoKα","","0.0939","0.0581","","","0.1124","0.1261","","","","","","1.052","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108904","9.8447","0.0007","9.9217","0.0007","10.3511","0.0013","110.058","0.004","97.022","0.004","115.079","0.003","816.53","0.14","296","2","296","2","","","","","","","","5","P 1","P 1","1","CJ142","","","- C18 H12 Br N O3 -","- C18 H12 Br N O3 -","- C36 H24 Br2 N2 O6 -","2","2","","Carlos Jarava-Barrera; Francisco Esteban; Carmen Navarro-Ranninger; Alejandro Parra; Jose Aleman","Asymmetric synthesis of trans-dihydroarylfurans in a Friedel-Crafts/substitution domino reaction under squaramide catalysis","Chemical communications (Cambridge, England)","2013","49","20","2001","2003","10.1039/c2cc38534a","","","0.71073","","","0.0798","0.0402","","","0.0993","0.1373","","","","","","1.019","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108905","9.005","0.0011","12.3558","0.0014","28.675","0.003","90","","90","","90","","3190.5","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","CJ143","","","- C18 H12 Br N O3 -","- C18 H12 Br N O3 -","- C144 H96 Br8 N8 O24 -","8","2","","Carlos Jarava-Barrera; Francisco Esteban; Carmen Navarro-Ranninger; Alejandro Parra; Jose Aleman","Asymmetric synthesis of trans-dihydroarylfurans in a Friedel-Crafts/substitution domino reaction under squaramide catalysis","Chemical communications (Cambridge, England)","2013","49","20","2001","2003","10.1039/c2cc38534a","","","0.71073","","","0.0761","0.0437","","","0.1027","0.1279","","","","","","1.051","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108906","12.9919","0.0011","14.4679","0.0012","19.329","0.0013","94.859","0.001","96.631","0.002","94.257","0.001","3582.9","0.5","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H105 N9 O10 S -","- C68 H105 N9 O10 S -","- C136 H210 N18 O20 S2 -","2","1","","Can Jin; Man Zhang; Lin Wu; Yangfan Guan; Yi Pan; Juli Jiang; Chen Lin; Leyong Wang","Squaramide-based tripodal receptors for selective recognition of sulfate anion","Chemical communications (Cambridge, England)","2013","49","20","2025","2027","10.1039/c3cc00196b","","","0.71073","MoKα","","0.0743","0.0456","","","0.0991","0.1032","","","","","","1.075","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108907","8.2167","0.0016","8.929","0.0018","21.221","0.004","97.25","0.03","94.2","0.03","107.69","0.03","1461.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 N O6 S -","- C32 H33 N O6 S -","- C64 H66 N2 O12 S2 -","2","1","","Tian, Junjun; He, Zhengjie","Phosphine-catalyzed [3+2] annulation of α-substituted allenoates with ester-activated α,β-unsaturated imines: a novel variation of the Lu [3+2] cycloaddition reaction","Chemical Communications (Cambridge, United Kingdom)","2013","49","20","2058","2060","10.1039/c3cc38264h","","","0.71073","MoKα","","0.0845","0.051","","","0.1222","0.139","","","","","","1.015","","","","has coordinates","210833","2020-10-21","18:00:00",""
"7108908","9.2454","0.0018","12.053","0.002","14.31","0.003","69.9","0.03","86.02","0.03","87.63","0.03","1493.6","0.6","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 N O6 S -","- C32 H32 N O6 S -","- C64 H64 N2 O12 S2 -","2","1","","Tian, Junjun; He, Zhengjie","Phosphine-catalyzed [3+2] annulation of α-substituted allenoates with ester-activated α,β-unsaturated imines: a novel variation of the Lu [3+2] cycloaddition reaction","Chemical Communications (Cambridge, United Kingdom)","2013","49","20","2058","2060","10.1039/c3cc38264h","","","0.71073","MoKα","","0.0998","0.0564","","","0.1345","0.155","","","","","","1.042","","","","has coordinates,has disorder","210833","2020-10-21","18:00:00",""
"7108909","18.2512","0.0008","18.2512","0.0008","34.2802","0.0012","90","","90","","120","","9889.1","0.7","140","2","140","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C29 H18 Cu2 O10 -","- C29 H14 Cu2 O10 -","- C174 H84 Cu12 O60 -","6","0.25","","Xing Duan; Jiancan Yu; Jianfeng Cai; Yabing He; Chuande Wu; Wei Zhou; Taner Yildirim; Zhangjing Zhang; Shengchang Xiang; Michael O'Keeffe; Banglin Chen; Guodong Qian","A microporous metal-organic framework of a rare sty topology for high CH4 storage at room temperature","Chemical communications (Cambridge, England)","2013","49","20","2043","2045","10.1039/c3cc38765h","","","0.71073","MoKα","","0.1067","0.0696","","","0.1712","0.1836","","","","","","1.222","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108910","13.8796","0.001","23.196","0.0017","8.6991","0.0006","90","","96","0.002","90","","2785.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N3 O5 S -","- C28 H31 N3 O5 S -","- C112 H124 N12 O20 S4 -","4","1","","Feng Zhou; Xing-Ping Zeng; Chao Wang; Xiao-Li Zhao; Jian Zhou","Organocatalytic asymmetric synthesis of 3,3-disubstituted oxindoles featuring two heteroatoms at the C3 position","Chemical communications (Cambridge, England)","2013","49","20","2022","2024","10.1039/c3cc38819k","","","0.71073","MoKα","","0.1233","0.0865","","","0.2238","0.2563","","","","","","1.054","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108911","13.04","0.002","12.456","0.002","19.177","0.004","90","","104.452","0.002","90","","3016.3","0.9","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F3 N O2 -","- C10 H8 F3 N O2 -","- C120 H96 F36 N12 O24 -","12","3","","Yusuke Yasu; Takashi Koike; Munetaka Akita","Visible-light-induced synthesis of a variety of trifluoromethylated alkenes from potassium vinyltrifluoroborates by photoredox catalysis","Chemical communications (Cambridge, England)","2013","49","20","2037","2039","10.1039/c3cc39235j","","","0.71073","MoKα","","0.0982","0.0534","","","0.1382","0.1546","","","","","","1.084","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108912","8.7662","0.0006","11.1969","0.0007","16.9395","0.0012","90","","90","","90","","1662.68","0.19","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 F6 N P -","- C15 H18 F6 N P -","- C60 H72 F24 N4 P4 -","4","1","","Shunsuke Kuwahara; Rie Chamura; Sho Tsuchiya; Mari Ikeda; Yoichi Habata","Chirality transcription and amplification by [2]pseudorotaxanes","Chemical communications (Cambridge, England)","2013","49","22","2186","2188","10.1039/c2cc38758a","","","0.71073","MoKα","","0.0757","0.0508","","","0.1305","0.1501","","","","","","1.017","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108913","13.1351","0.0012","18.8283","0.0016","17.9612","0.0013","90","","126.248","0.0013","90","","3582.3","0.5","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H15 Fe4 O12 P S3 -","- C31 H15 Fe4 O12 P S3 -","- C124 H60 Fe16 O48 P4 S12 -","4","1","","Yao-Cheng Shi; Fei Gu","Syntheses and crystal structures of neutral tetrairon complexes with the unique SCPPh2S ligand","Chemical communications (Cambridge, England)","2013","49","22","2255","2257","10.1039/c3cc00169e","","","0.71073","MoKα","","0.0578","0.0325","","","0.0645","0.0727","","","","","","1.018","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108914","10.0883","0.0009","13.9167","0.0013","25.9381","0.0014","90","","102.271","0.003","90","","3558.4","0.5","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H15 Fe4 O14 P S3 -","- C28 H15 Fe4 O14 P S3 -","- C112 H60 Fe16 O56 P4 S12 -","4","1","","Yao-Cheng Shi; Fei Gu","Syntheses and crystal structures of neutral tetrairon complexes with the unique SCPPh2S ligand","Chemical communications (Cambridge, England)","2013","49","22","2255","2257","10.1039/c3cc00169e","","","0.71073","MoKα","","0.0571","0.0357","","","0.0786","0.0889","","","","","","1.032","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108915","7.9461","0.0011","8.1411","0.0012","14.798","0.002","98.041","0.002","101.942","0.002","104.491","0.003","888","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Fe2 O8 S3 -","- C11 H8 Fe2 O8 S3 -","- C22 H16 Fe4 O16 S6 -","2","1","","Yao-Cheng Shi; Fei Gu","Syntheses and crystal structures of neutral tetrairon complexes with the unique SCPPh2S ligand","Chemical communications (Cambridge, England)","2013","49","22","2255","2257","10.1039/c3cc00169e","","","0.71073","MoKα","","0.0331","0.0287","","","0.0787","0.0823","","","","","","1.025","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108916","19.0155","0.0008","8.21","0.0003","11.645","0.0005","90","","107.291","0.004","90","","1735.83","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O2 S -","- C20 H20 O2 S -","- C80 H80 O8 S4 -","4","1","","Liu, Bangyu; Zheng, Gang; Liu, Xiaocui; Xu, Cong; Liu, Jingxin; Wang, Mang","Regio- and stereoselective synthesis of 2-cyclopentenones via a hydrogenolysis-terminated Heck cyclization of β-alkylthio dienones.","Chemical Communications (Cambridge, United Kingdom)","2013","49","22","2201","2203","10.1039/c3cc37571d","","","0.71073","MoKα","","0.0575","0.0427","","","0.1047","0.1137","","","","","","1.091","","","","has coordinates","209795","2020-10-21","18:00:00",""
"7108917","12.59","0.004","13.054","0.004","24.189","0.008","90","","90","","90","","3975","2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H51 Mn N2 Nd O12 -","- C40 H51 Mn N2 Nd O12 -","- C160 H204 Mn4 N8 Nd4 O48 -","4","1","","Dong-Bin Dang; Bing An; Yan Bai; Guang-Shui Zheng; Jing-Yang Niu","Three-dimensional homochiral manganese-lanthanide frameworks based on chiral camphorates with multi-coordination modes","Chemical communications (Cambridge, England)","2013","49","22","2243","2245","10.1039/c3cc37680j","","","0.71073","MoKα","","0.0436","0.0356","","","0.0779","0.0804","","","","","","1.044","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108918","12.547","0.007","12.979","0.007","24.368","0.013","90","","90","","90","","3968","4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H51 Dy Mn N2 O12 -","- C40 H50 Dy Mn N2 O12 -","- C160 H200 Dy4 Mn4 N8 O48 -","4","1","","Dong-Bin Dang; Bing An; Yan Bai; Guang-Shui Zheng; Jing-Yang Niu","Three-dimensional homochiral manganese-lanthanide frameworks based on chiral camphorates with multi-coordination modes","Chemical communications (Cambridge, England)","2013","49","22","2243","2245","10.1039/c3cc37680j","","","0.71073","MoKα","","0.2223","0.0797","","","0.0901","0.1063","","","","","","0.96","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108919","12.6092","0.0013","13.0311","0.0012","24.203","0.002","90","","90","","90","","3976.8","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H51 Eu Mn N2 O12 -","- C40 H50 Eu Mn N2 O12 -","- C160 H200 Eu4 Mn4 N8 O48 -","4","1","","Dong-Bin Dang; Bing An; Yan Bai; Guang-Shui Zheng; Jing-Yang Niu","Three-dimensional homochiral manganese-lanthanide frameworks based on chiral camphorates with multi-coordination modes","Chemical communications (Cambridge, England)","2013","49","22","2243","2245","10.1039/c3cc37680j","","","0.71073","MoKα","","0.0571","0.0431","","","0.0962","0.1018","","","","","","1.034","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108920","12.6554","0.0015","13.1165","0.0016","24.358","0.003","90","","90","","90","","4043.3","0.8","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H51 La Mn N2 O12 -","- C40 H50 La Mn N2 O12 -","- C160 H200 La4 Mn4 N8 O48 -","4","1","","Dong-Bin Dang; Bing An; Yan Bai; Guang-Shui Zheng; Jing-Yang Niu","Three-dimensional homochiral manganese-lanthanide frameworks based on chiral camphorates with multi-coordination modes","Chemical communications (Cambridge, England)","2013","49","22","2243","2245","10.1039/c3cc37680j","","","0.71073","MoKα","","0.0594","0.0461","","","0.1022","0.1074","","","","","","1.024","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108921","26.092","0.007","15.839","0.004","17.659","0.005","90","","90","","90","","7298","3","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C72 H50 Cd4 N O26 Rb -","- C72 H50 Cd4 N O26 Rb -","- C288 H200 Cd16 N4 O104 Rb4 -","4","0.5","","Huabin Zhang; Ping Lin; Xiaochen Shan; Fenglei Du; Qipeng Li; Shaowu Du","An inorganic-organic composite framework with an unprecedented 3D heterometallic inorganic connectivity and white-light emission","Chemical communications (Cambridge, England)","2013","49","22","2231","2233","10.1039/c3cc38655d","","","0.71073","MoKα","","0.0896","0.0756","","","0.2211","0.2409","","","","","","1.135","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108922","17.4183","0.0012","14.7839","0.0011","29.239","0.002","90","","107.106","0.003","90","","7196.3","0.9","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C81 H63 F15 N6 -","- C81 H63 F15 N6 -","- C324 H252 F60 N24 -","4","1","","P. S. Salini; M. G. Derry Holaday; M. L. P. Reddy; C. H. Suresh; A. Srinivasan","Fluorine interaction controlled AIEE phenomenon in an expanded calixbenzophyrin and its vapoluminescent response: turn on emission with volatile ketones and esters","Chemical communications (Cambridge, England)","2013","49","22","2213","2215","10.1039/c3cc38723b","","","0.71073","MoKα","","0.0611","0.0432","","","0.124","0.151","","","","","","1.089","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108923","14.8642","0.0005","15.0687","0.0005","17.7081","0.0006","68.847","0.003","77.695","0.003","63.804","0.002","3312.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H90 Fe2 P10 Sm2 -","- C60 H90 Fe2 P10 Sm2 -","- C120 H180 Fe4 P20 Sm4 -","2","1","","Li, Tianshu; Gamer, Michael T.; Scheer, Manfred; Konchenko, Sergey N.; Roesky, Peter W.","P-P bond formation via reductive dimerization of [Cp^*^Fe(η^5^-P~5~)] by divalent samarocenes","Chemical Communications (Cambridge, United Kingdom)","2013","49","22","2183","2185","10.1039/c3cc38841g","","","0.71073","MoKα","","0.0452","0.03","","","0.0648","0.0694","","","","","","0.988","","","","has coordinates","210835","2020-10-21","18:00:00",""
"7108924","14.357","0.003","28.55","0.006","17.985","0.004","90","","95.08","0.03","90","","7343","3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H106 Fe2 P10 Sm2 -","- C68 H106 Fe2 P10 Sm2 -","- C272 H424 Fe8 P40 Sm8 -","4","1","","Li, Tianshu; Gamer, Michael T.; Scheer, Manfred; Konchenko, Sergey N.; Roesky, Peter W.","P-P bond formation via reductive dimerization of [Cp^*^Fe(η^5^-P~5~)] by divalent samarocenes","Chemical Communications (Cambridge, United Kingdom)","2013","49","22","2183","2185","10.1039/c3cc38841g","","","0.71073","MoKα","","0.0434","0.0337","","","0.0834","0.0868","","","","","","0.968","","","","has coordinates,has disorder","210835","2020-10-21","18:00:00",""
"7108925","9.4508","0.0011","26.424","0.003","5.05","0.0006","90","","90","","90","","1261.1","0.3","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H12 F6 O2 -","- C11 H12 F6 O2 -","- C44 H48 F24 O8 -","4","1","","Poh Wai Chia; Davide Bello; Alexandra M. Z. Slawin; David O'Hagan","Fluorinated 5- and 7-membered carbacycle motifs by reaction of difluorocarbene with acetylene ethers","Chemical communications (Cambridge, England)","2013","49","22","2189","2191","10.1039/c3cc39066g","","","1.54187","CuKα","","","0.0452","","","","0.1206","","","","","","1.09","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108926","5.512","0.002","13.104","0.007","14.668","0.008","115.201","0.01","90.957","0.01","98.891","0.009","943.1","0.8","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H10 Br2 F6 O2 -","- C19 H10 Br2 F6 O2 -","- C38 H20 Br4 F12 O4 -","2","1","","Poh Wai Chia; Davide Bello; Alexandra M. Z. Slawin; David O'Hagan","Fluorinated 5- and 7-membered carbacycle motifs by reaction of difluorocarbene with acetylene ethers","Chemical communications (Cambridge, England)","2013","49","22","2189","2191","10.1039/c3cc39066g","","","0.71075","MoKα","","","0.0539","","","","0.121","","","","","","0.971","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108927","10.8993","0.0014","12.8061","0.0017","13.1597","0.0017","75.917","0.007","71.005","0.008","89.973","0.006","1678.4","0.4","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 Br2 F4 O2 -","- C18 H10 Br2 F4 O2 -","- C72 H40 Br8 F16 O8 -","4","2","","Poh Wai Chia; Davide Bello; Alexandra M. Z. Slawin; David O'Hagan","Fluorinated 5- and 7-membered carbacycle motifs by reaction of difluorocarbene with acetylene ethers","Chemical communications (Cambridge, England)","2013","49","22","2189","2191","10.1039/c3cc39066g","","","0.71075","MoKα","","","0.1195","","","","0.3703","","","","","","1.31","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108928","10.3329","0.001","19.6202","0.0019","7.1804","0.0007","90","","90","","90","","1455.7","0.2","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C16 H17 N O4 -","- C16 H17 N O4 -","- C64 H68 N4 O16 -","4","1","","Michail Tsakos; Mark R. J. Elsegood; Christoforos G. Kokotos","Organocatalytic asymmetric domino Michael-Henry reaction for the synthesis of substituted bicyclo[3.2.1]octan-2-ones","Chemical communications (Cambridge, England)","2013","49","22","2219","2221","10.1039/c3cc39165e","","","0.71073","MoKα","","0.05","0.0412","","","0.1018","0.1074","","","","","","1.04","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7108929","26.9636","0.0016","7.777","0.0004","11.3395","0.0006","90","","106.782","0.002","90","","2276.6","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(OC-6-33)-Dichlorido(ethane-1,2-diamine)[bis(2-(2,5-dioxo-2,5- dihydro-1H-pyrrol-1-yl)ethylcarbamoyloxy)platinum(IV)]","","- C16 H22 Cl2 N6 O8 Pt -","- C16 H22 Cl2 N6 O8 Pt -","- C64 H88 Cl8 N24 O32 Pt4 -","4","0.5","","Verena Pichler; Josef Mayr; Petra Heffeter; Orsolya Domotor; Eva A. Enyedy; Gerrit Hermann; Diana Groza; Gunda Kollensperger; Markus Galanksi; Walter Berger; Bernhard K. Keppler; Christian R. Kowol","Maleimide-functionalised platinum(IV) complexes as a synthetic platform for targeted drug delivery","Chemical communications (Cambridge, England)","2013","49","22","2249","2251","10.1039/c3cc39258a","","","0.71073","MoKα","","0.0227","0.0181","","","0.0423","0.0438","","","","","","1.007","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108930","14.8435","0.0006","9.8421","0.0004","29.388","0.001","90","","90","","90","","4293.3","0.3","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","foldamers","","","- C18 H27 N3 O7 S -","- C18 H27 N3 O7 S -","- C144 H216 N24 O56 S8 -","8","2","","Sangram S. Kale; Gowri Priya; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan","Orthanilic acid-promoted reverse turn formation in peptides","Chemical communications (Cambridge, England)","2013","49","22","2222","2224","10.1039/c3cc40522b","","","0.71073","MoKα","","0.0405","0.0351","","","0.0887","0.0927","","","","","","1.044","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108931","17.3832","0.0005","8.5835","0.0002","15.0137","0.0004","90","","104.816","0.001","90","","2165.69","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","foldamers","","","- C18 H28 N4 O6 S -","- C18 H28 N4 O6 S -","- C72 H112 N16 O24 S4 -","4","1","","Sangram S. Kale; Gowri Priya; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan","Orthanilic acid-promoted reverse turn formation in peptides","Chemical communications (Cambridge, England)","2013","49","22","2222","2224","10.1039/c3cc40522b","","","0.71073","MoKα","","0.0358","0.0315","","","0.0822","0.086","","","","","","1.053","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108932","8.47","0.0009","10.242","0.002","14.857","0.002","109.363","0.013","92.148","0.011","111.533","0.007","1112.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Peptide","","","- C19 H30 N4 O6 S -","- C19 H30 N4 O6 S -","- C38 H60 N8 O12 S2 -","2","1","","Sangram S. Kale; Gowri Priya; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan","Orthanilic acid-promoted reverse turn formation in peptides","Chemical communications (Cambridge, England)","2013","49","22","2222","2224","10.1039/c3cc40522b","","","0.71073","MoKα","","0.1014","0.0546","","","0.1144","0.1338","","","","","","1.031","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108933","29.295","0.0003","46.538","0.0005","5.7943","0.0001","90","","90","","90","","7899.55","0.18","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","foldamers","","","- C17 H27 N3 O5 S -","- C17 H20 N3 O5 S -","- C272 H320 N48 O80 S16 -","16","1","","Sangram S. Kale; Gowri Priya; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan","Orthanilic acid-promoted reverse turn formation in peptides","Chemical communications (Cambridge, England)","2013","49","22","2222","2224","10.1039/c3cc40522b","","","0.71073","MoKα","","0.0856","0.0748","","","0.1906","0.1972","","","","","","1.157","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108934","10.1664","0.0007","10.5548","0.0007","10.8876","0.0007","90","","94.129","0.004","90","","1165.25","0.13","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Peptide","","","- C20 H31 N3 O5 S -","- C20 H31 N3 O5 S -","- C40 H62 N6 O10 S2 -","2","1","","Sangram S. Kale; Gowri Priya; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan","Orthanilic acid-promoted reverse turn formation in peptides","Chemical communications (Cambridge, England)","2013","49","22","2222","2224","10.1039/c3cc40522b","","","0.71073","MoKα","","0.0392","0.0366","","","0.1028","0.1066","","","","","","1.033","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108935","12.6119","0.0003","7.6788","0.0001","15.0308","0.0003","90","","113.259","0.0008","90","","1337.35","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N3 O3 S -","- C11 H17 N3 O3 S -","- C44 H68 N12 O12 S4 -","4","1","","Sangram S. Kale; Gowri Priya; Amol S. Kotmale; Rupesh L. Gawade; Vedavati G. Puranik; P. R. Rajamohanan; Gangadhar J. Sanjayan","Orthanilic acid-promoted reverse turn formation in peptides","Chemical communications (Cambridge, England)","2013","49","22","2222","2224","10.1039/c3cc40522b","","","0.71073","MoKα","","0.0434","0.0372","","","0.0969","0.1035","","","","","","1.049","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108936","17.1841","0.0009","12.4648","0.0007","6.7661","0.0004","90","","90","","90","","1449.27","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C68 H52 N20 O8 -","4","1","","Ahn, Jinho; Park, Sunhong; Lee, Ji Ha; Jung, Sung Ho; Moon, Seung-Jin; Jung, Jong Hwa","Fluorescent hydrogels formed by CH-π and π-π interactions as the main driving forces: an approach toward understanding the relationship between fluorescence and structure","Chemical Communications (Cambridge, United Kingdom)","2013","49","21","2109","2111","10.1039/c2cc37249e","","","0.71073","MoKα","","0.0817","0.0718","","","0.1438","0.1478","","","","","","1.215","","","","has coordinates","210827","2020-10-21","18:00:00",""
"7108937","8.3304","0.0006","16.7637","0.0012","20.9646","0.0015","90","","92.043","0.004","90","","2925.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N5 O2 -","- C17 H13 N5 O2 -","- C136 H104 N40 O16 -","8","2","","Ahn, Jinho; Park, Sunhong; Lee, Ji Ha; Jung, Sung Ho; Moon, Seung-Jin; Jung, Jong Hwa","Fluorescent hydrogels formed by CH-π and π-π interactions as the main driving forces: an approach toward understanding the relationship between fluorescence and structure","Chemical Communications (Cambridge, United Kingdom)","2013","49","21","2109","2111","10.1039/c2cc37249e","","","0.71073","MoKα","","0.1072","0.0588","","","0.164","0.1906","","","","","","1.111","","","","has coordinates","210827","2020-10-21","18:00:00",""
"7108938","11.7158","0.001","12.6374","0.0011","17.109","0.0014","73.831","0.002","89.353","0.002","68.496","0.002","2251.9","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H44 N4 Pt Si2 -","- C54 H44 N4 Pt Si2 -","- C108 H88 N8 Pt2 Si4 -","2","1","","Leigh J. K. Boerner; Maren Pink; Hyunsoo Park; Amanda LeSueur; Jeffrey M. Zaleski","Spin-state control of thermal and photochemical Bergman cyclization","Chemical communications (Cambridge, England)","2013","49","21","2145","2147","10.1039/c3cc34471a","","","0.71073","MoKα","","0.0385","0.0291","","","0.0577","0.0607","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7108939","13.8145","0.0007","13.8947","0.0007","16.8785","0.0008","67.934","0.001","75.479","0.001","66.133","0.001","2727","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C44.67 H27.33 Br2 Cl1.33 N4 Pt -","- C44.6667 H27.3333 Br2 Cl1.33333 N4 Pt -","- C134 H82 Br6 Cl4 N12 Pt3 -","3","1.5","","Leigh J. K. Boerner; Maren Pink; Hyunsoo Park; Amanda LeSueur; Jeffrey M. Zaleski","Spin-state control of thermal and photochemical Bergman cyclization","Chemical communications (Cambridge, England)","2013","49","21","2145","2147","10.1039/c3cc34471a","","","0.71073","MoKα","","0.0644","0.0438","","","0.0975","0.1057","","","","","","1.032","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7108940","7.2411","0.001","21.366","0.003","20.202","0.002","90","","90","","90","","3125.5","0.7","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C48 H26 N4 Pt -","- C48 H26 N4 Pt -","- C192 H104 N16 Pt4 -","4","1","","Leigh J. K. Boerner; Maren Pink; Hyunsoo Park; Amanda LeSueur; Jeffrey M. Zaleski","Spin-state control of thermal and photochemical Bergman cyclization","Chemical communications (Cambridge, England)","2013","49","21","2145","2147","10.1039/c3cc34471a","","x-ray","0.71073","MoKα","","0.0695","0.0388","","","0.0626","0.071","","","","","","0.942","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108941","29.4464","0.0003","17.6777","0.0002","25.0277","0.0002","90","","100.117","0.0009","90","","12825.5","0.2","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C73 H88 N10 Ni2 O -","- C73 H88 N10 Ni2 O -","- C584 H704 N80 Ni16 O8 -","8","2","","Mio Matsumura; Aya Tanatani; Isao Azumaya; Hyuma Masu; Daisuke Hashizume; Hiroyuki Kagechika; Atsuya Muranaka; Masanobu Uchiyama","Unusual conformational preference of an aromatic secondary urea: solvent-dependent open-closed conformational switching of N,N'-bis(porphyrinyl)urea","Chem.Commun.","2013","49","","2290","","10.1039/c2cc37583d","","","0.71073","MoKα","","0.0751","0.0475","","","0.1236","0.1393","","","","","","1.05","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108942","16.8849","0.0004","14.7428","0.0003","28.866","0.0007","90","","90","","90","","7185.6","0.3","90","","90","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C75 H90 Cl6 N10 Ni2 O -","- C75 H90 Cl6 N10 Ni2 O -","- C300 H360 Cl24 N40 Ni8 O4 -","4","0.5","","Mio Matsumura; Aya Tanatani; Isao Azumaya; Hyuma Masu; Daisuke Hashizume; Hiroyuki Kagechika; Atsuya Muranaka; Masanobu Uchiyama","Unusual conformational preference of an aromatic secondary urea: solvent-dependent open-closed conformational switching of N,N'-bis(porphyrinyl)urea","Chem.Commun.","2013","49","","2290","","10.1039/c2cc37583d","","","0.71073","MoKα","","0.09","0.0721","","","0.1887","0.199","","","","","","1.139","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108943","4.808","0.002","13.525","0.007","31.228","0.016","81.982","0.007","89.135","0.006","86.992","0.007","2008","1.7","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H58 N6 Ni O2 -","- C47 H58 N6 Ni O2 -","- C94 H116 N12 Ni2 O4 -","2","1","","Mio Matsumura; Aya Tanatani; Isao Azumaya; Hyuma Masu; Daisuke Hashizume; Hiroyuki Kagechika; Atsuya Muranaka; Masanobu Uchiyama","Unusual conformational preference of an aromatic secondary urea: solvent-dependent open-closed conformational switching of N,N'-bis(porphyrinyl)urea","Chem.Commun.","2013","49","","2290","","10.1039/c2cc37583d","","","0.71073","MoKα","","0.1076","0.0881","","","0.2435","0.2546","","","","","","1.087","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108944","13.2625","0.0005","13.3817","0.0006","16.1422","0.0007","90","","90.756","0.002","90","","2864.6","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 O2 Si2 -","- C30 H31 O2 Si2 -","- C120 H124 O8 Si8 -","4","1","","Velisoju Mahendar; Hideaki Oikawa; Hiroki Oguri","Sequential [6+2], [2+2], and [3+2] annulations for rapid assembly of multiple fragments","Chem.Commun.","2013","49","","2299","","10.1039/c2cc38854e","","","1.54187","CuKα","","0.2095","0.1148","","","0.2893","0.3826","","","","","","1.08","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108945","10.06519","0.00018","11.1789","0.0002","16.4195","0.0003","82.641","0.001","81.698","0.001","64.687","0.001","1648.05","0.05","173","2","173","2","","","","","","","synthesised by authors, see text","5","P -1","-P 1","2","","","","- C36.5 H42 N2 O5.5 Si -","- C36.5 H38.5 N2 O5.5 Si -","- C73 H77 N4 O11 Si2 -","2","1","","Velisoju Mahendar; Hideaki Oikawa; Hiroki Oguri","Sequential [6+2], [2+2], and [3+2] annulations for rapid assembly of multiple fragments","Chem.Commun.","2013","49","","2299","","10.1039/c2cc38854e","","","1.54187","CuKα","","0.0547","0.0475","","","0.1381","0.1473","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108946","9.5821","0.0019","14.345","0.003","12.465","0.003","90","","110.706","0.002","90","","1602.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 B O4 S -","- C15 H21 B O4 S -","- C60 H84 B4 O16 S4 -","4","1","","Erich F. Altenhofer; Michael Harmata","Generation and alkylation of 2-boryl allylic sulfone anions","Chem.Commun.","2013","49","","2365","","10.1039/c3cc00030c","","","0.71073","MoKα","","0.037","0.0339","","","0.0903","0.0931","","","","","","1.044","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108947","9.6357","0.001","11.1807","0.0014","13.5907","0.0018","96.222","0.004","107.826","0.003","108.034","0.003","1291.6","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 F6 S -","- C31 H26 F6 S -","- C62 H52 F12 S2 -","2","1","","Hiroaki Shoji; Seiya Kobatake","Thermal bleaching reactions of photochromic diarylethenes with thiophene-S,S-dioxide for a light-starting irreversible thermosensor","Chem.Commun.","2013","49","","2362","","10.1039/c3cc00053b","","","0.71075","MoKα","","0.1325","0.0882","","","0.2434","0.2766","","","","","","1.069","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108948","6.72","0.003","21.116","0.012","16.274","0.009","90","","95.32","0.04","90","","2299","2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 F6 S -","- C28 H20 F6 S -","- C112 H80 F24 S4 -","4","1","","Hiroaki Shoji; Seiya Kobatake","Thermal bleaching reactions of photochromic diarylethenes with thiophene-S,S-dioxide for a light-starting irreversible thermosensor","Chem.Commun.","2013","49","","2362","","10.1039/c3cc00053b","","","0.71075","MoKα","","0.108","0.0613","","","0.1509","0.1668","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108949","38.047","0.004","6.0219","0.0006","23.213","0.003","90","","101.266","0.003","90","","5216","1","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 F6 S -","- C31 H26 F6 S -","- C248 H208 F48 S8 -","8","1","","Hiroaki Shoji; Seiya Kobatake","Thermal bleaching reactions of photochromic diarylethenes with thiophene-S,S-dioxide for a light-starting irreversible thermosensor","Chem.Commun.","2013","49","","2362","","10.1039/c3cc00053b","","","0.71075","MoKα","","0.13","0.0786","","","0.2012","0.2251","","","","","","1.074","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108950","33.3495","0.0012","10.544","0.0003","15.0994","0.0006","90","","103.703","0.002","90","","5158.4","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H54 Mg2 N2 O19 P2 -","- C52 H48 Mg2 N2 O19 P2 -","- C208 H192 Mg8 N8 O76 P8 -","4","0.5","","Euna Jeong; Woo Ram Lee; Dae Won Ryu; Yeonga Kim; Won Ju Phang; Eui Kwan Koh; Chang Seop Hong","Reversible structural transformation and selective gas adsorption in a unique aqua-bridged Mn(II) metal-organic framework","Chem.Commun.","2013","49","","2329","","10.1039/c3cc00093a","","","0.71073","MoKα","","0.1033","0.0686","","","0.1657","0.1869","","","","","","1.053","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108951","40.229","0.008","21.504","0.004","15.251","0.003","90","","110.11","0.03","90","","12389","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 Mn3 N2 O22 P2 -","- C42 H24 Mn3 O19 P2 -","- C336 H192 Mn24 O152 P16 -","8","1","","Euna Jeong; Woo Ram Lee; Dae Won Ryu; Yeonga Kim; Won Ju Phang; Eui Kwan Koh; Chang Seop Hong","Reversible structural transformation and selective gas adsorption in a unique aqua-bridged Mn(II) metal-organic framework","Chem.Commun.","2013","49","","2329","","10.1039/c3cc00093a","","","0.8","synchrotron","","0.0737","0.0617","","","0.1783","0.1855","","","","","","0.996","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108952","9.474","0.0001","21.069","0.0002","22.635","0.0002","90","","90","","90","","4518.12","0.08","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H21 I N2 O4 -","- C23 H21 I N2 O4 -","- C184 H168 I8 N16 O32 -","8","1","","Stephen J. Heffernan; James M. Beddoes; Mary F. Mahon; Alan J. Hennessy; David R. Carbery","Gold-catalysed cascade rearrangements of ynamide propargyl esters","Chem.Commun.","2013","49","","2314","","10.1039/c3cc00273j","","","0.71073","MoKα","","0.0895","0.0768","","","0.2015","0.2137","","","","","","1.087","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108953","26.2161","0.0019","8.8142","0.0006","21.7727","0.0016","90","","106.854","0.001","90","","4815","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H56.39 N8 O10.19 -","- C52 H56.388 N8 O10.194 -","- C208 H225.552 N32 O40.776 -","4","0.5","","Sidonie B. L. Vollrath; Chunhua Hu; Stefan Brase; Kent Kirshenbaum","Peptoid nanotubes: an oligomer macrocycle that reversibly sequesters water via single-crystal-to-single-crystal transformations","Chem.Commun.","2013","49","","2317","","10.1039/c3cc37163h","","","0.71073","MoKα","","0.0416","0.0367","","","0.0952","0.0991","","","","","","1.045","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108954","26.328","0.002","8.8744","0.0007","22.0441","0.0017","90","","106.884","0.001","90","","4928.5","0.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 N8 O10 -","- C52 H56 N8 O10 -","- C208 H224 N32 O40 -","4","0.5","","Sidonie B. L. Vollrath; Chunhua Hu; Stefan Brase; Kent Kirshenbaum","Peptoid nanotubes: an oligomer macrocycle that reversibly sequesters water via single-crystal-to-single-crystal transformations","Chem.Commun.","2013","49","","2317","","10.1039/c3cc37163h","","","0.71073","MoKα","","0.0625","0.0451","","","0.1157","0.1287","","","","","","1.033","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108955","26.2136","0.0017","8.8077","0.0006","21.7438","0.0014","90","","106.826","0.001","90","","4805.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 N8 O10 -","- C52 H56 N8 O10 -","- C208 H224 N32 O40 -","4","0.5","","Sidonie B. L. Vollrath; Chunhua Hu; Stefan Brase; Kent Kirshenbaum","Peptoid nanotubes: an oligomer macrocycle that reversibly sequesters water via single-crystal-to-single-crystal transformations","Chem.Commun.","2013","49","","2317","","10.1039/c3cc37163h","","","0.71073","MoKα","","0.0426","0.0372","","","0.0946","0.099","","","","","","1.035","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108956","26.2149","0.0018","8.811","0.0006","21.7702","0.0015","90","","106.87","0.001","90","","4812.1","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H56.44 N8 O10.22 -","- C52 H56.442 N8 O10.221 -","- C208 H225.768 N32 O40.884 -","4","0.5","","Sidonie B. L. Vollrath; Chunhua Hu; Stefan Brase; Kent Kirshenbaum","Peptoid nanotubes: an oligomer macrocycle that reversibly sequesters water via single-crystal-to-single-crystal transformations","Chem.Commun.","2013","49","","2317","","10.1039/c3cc37163h","","","0.71073","MoKα","","0.0529","0.0395","","","0.0919","0.0996","","","","","","1.044","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108957","26.236","0.002","8.8244","0.0007","21.8128","0.0017","90","","106.896","0.001","90","","4832","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H56.88 N8 O10.44 -","- C52 H56.876 N8 O10.438 -","- C208 H227.504 N32 O41.752 -","4","0.5","","Sidonie B. L. Vollrath; Chunhua Hu; Stefan Brase; Kent Kirshenbaum","Peptoid nanotubes: an oligomer macrocycle that reversibly sequesters water via single-crystal-to-single-crystal transformations","Chem.Commun.","2013","49","","2317","","10.1039/c3cc37163h","","","0.71073","MoKα","","0.0563","0.041","","","0.0977","0.106","","","","","","1.055","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108958","26.331","0.002","8.8767","0.0007","22.0413","0.0017","90","","106.847","0.001","90","","4930.7","0.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 N8 O10 -","- C52 H56 N8 O10 -","- C208 H224 N32 O40 -","4","0.5","","Sidonie B. L. Vollrath; Chunhua Hu; Stefan Brase; Kent Kirshenbaum","Peptoid nanotubes: an oligomer macrocycle that reversibly sequesters water via single-crystal-to-single-crystal transformations","Chem.Commun.","2013","49","","2317","","10.1039/c3cc37163h","","","0.71073","MoKα","","0.0642","0.0468","","","0.1229","0.1365","","","","","","1.039","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108959","26.2216","0.0014","8.8212","0.0005","21.8021","0.0011","90","","106.918","0.001","90","","4824.7","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H56.9 N8 O10.45 -","- C52 H56.896 N8 O10.448 -","- C208 H227.584 N32 O41.792 -","4","0.5","","Sidonie B. L. Vollrath; Chunhua Hu; Stefan Brase; Kent Kirshenbaum","Peptoid nanotubes: an oligomer macrocycle that reversibly sequesters water via single-crystal-to-single-crystal transformations","Chem.Commun.","2013","49","","2317","","10.1039/c3cc37163h","","","0.71073","MoKα","","0.0435","0.0378","","","0.0973","0.1023","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108960","26.3406","0.0011","8.8751","0.0004","22.0453","0.0009","90","","106.886","0.001","90","","4931.4","0.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 N8 O10 -","- C52 H56 N8 O10 -","- C208 H224 N32 O40 -","4","0.5","","Sidonie B. L. Vollrath; Chunhua Hu; Stefan Brase; Kent Kirshenbaum","Peptoid nanotubes: an oligomer macrocycle that reversibly sequesters water via single-crystal-to-single-crystal transformations","Chem.Commun.","2013","49","","2317","","10.1039/c3cc37163h","","","0.71073","MoKα","","0.0605","0.0483","","","0.1297","0.1409","","","","","","1.047","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108961","26.215","0.003","8.8119","0.0008","21.748","0.002","90","","106.862","0.002","90","","4807.9","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H56.29 N8 O10.15 -","- C52 H56.29 N8 O10.145 -","- C208 H225.16 N32 O40.58 -","4","0.5","","Sidonie B. L. Vollrath; Chunhua Hu; Stefan Brase; Kent Kirshenbaum","Peptoid nanotubes: an oligomer macrocycle that reversibly sequesters water via single-crystal-to-single-crystal transformations","Chem.Commun.","2013","49","","2317","","10.1039/c3cc37163h","","","0.71073","MoKα","","0.0498","0.0387","","","0.0913","0.0982","","","","","","1.03","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108962","21.6096","0.0005","12.532","0.0005","24.0555","0.001","90","","116.147","0.002","90","","5847.9","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H19.5 Cl Cu Dy N4 O11.75 -","- C24 H16 Cl Cu Dy N4 O11.75 -","- C192 H128 Cl8 Cu8 Dy8 N32 O94 -","8","1","","Peng-Fei Shi; Gang Xiong; Bin Zhao; Zhan-Yun Zhang; Peng Cheng","Anion-induced changes of structure interpenetration and magnetic properties in 3D Dy-Cu metal-organic frameworks","Chem.Commun.","2013","49","","2338","","10.1039/c3cc38402k","","","0.71073","MoKα","","0.0379","0.0322","","","0.0944","0.099","","","","","","1.081","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7108963","17.6348","0.0011","16.9383","0.0006","19.9934","0.0012","90","","107.77","0.007","90","","5687.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 Cu Dy2 N8 O34 -","- C36 H18 Cu Dy2 N6 O16 -","- C144 H72 Cu4 Dy8 N24 O64 -","4","0.5","","Peng-Fei Shi; Gang Xiong; Bin Zhao; Zhan-Yun Zhang; Peng Cheng","Anion-induced changes of structure interpenetration and magnetic properties in 3D Dy-Cu metal-organic frameworks","Chem.Commun.","2013","49","","2338","","10.1039/c3cc38402k","","","0.71073","MoKα","","0.0875","0.0512","","","0.12","0.1339","","","","","","0.96","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108964","10.2862","0.0008","20.0798","0.0016","9.6427","0.0008","90","","90.155","0.001","90","","1991.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N3 O5 -","- C23 H19 N3 O5 -","- C92 H76 N12 O20 -","4","1","","Malachy McCann; John McGinley; Kaijie Ni; Mark O'Connor; Kevin Kavanagh; Vickie McKee; John Colleran; Michael Devereux; Nicholas Gathergood; Niall Barron; Andreea Prisecaru; Andrew Kellett","A new phenanthroline-oxazine ligand: synthesis, coordination chemistry and atypical DNA binding interaction","Chem.Commun.","2013","49","","2341","","10.1039/c3cc38710k","","","0.71073","MoKα","","0.0551","0.041","","","0.1061","0.115","","","","","","1.049","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108965","18.5845","0.0003","18.6061","0.0006","18.9964","0.0004","90","","90","","90","","6568.7","0.3","297","2","297","2","","","","","","","","7","C 2 2 2","C 2 2","21","","","","- C40 H72 Cl Ho2 N8 Na3 O32 -","- C40 H64 Cl Ho2 N8 Na3 O32 -","- C160 H256 Cl4 Ho8 N32 Na12 O128 -","4","0.5","","Katherine M. Payne; Edward J. Valente; Silvio Aime; Mauro Botta; Mark Woods","Picture of a chelate in exchange: the crystal structure of NaHoDOTMA, a 'semi'-hydrated chelate","Chem.Commun.","2013","49","","2320","","10.1039/c3cc38814j","","","0.71073","MoKα","","0.0484","0.0384","","","0.092","0.0991","","","","","","1.147","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108966","8.0889","0.0002","11.4745","0.0003","15.4252","0.0005","90","","90","","90","","1431.71","0.07","150","","150","","","","","","","","synthesised","5","P 21 c n","P -2n 2a","33","","","","- C14 H19 N3 O2 S -","- C14 H19 N3 O2 S -","- C56 H76 N12 O8 S4 -","4","1","","Richard C. Knighton; Mark R. Sambrook; Jack C. Vincent; Simon A. Smith; Christopher J. Serpell; James Cookson; Matthew S. Vickers; Paul D. Beer","Fluorogenic dansyl-ligated gold nanoparticles for the detection of sulfur mustard by displacement assay","Chem.Commun.","2013","49","","2293","","10.1039/c3cc39105a","","","0.71073","MoKα","","0.0423","0.0366","","0.0873","0.0815","0.0873","","","","","","0.8914","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108967","15.2908","0.0004","12.3356","0.0003","21.2687","0.0006","90","","101.227","0.002","90","","3934.96","0.18","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 N5 O2 Re -","- C38 H60 N5 O2 Re -","- C152 H240 N20 O8 Re4 -","4","1","","Larry Tso-Lun Lo; Sze-Wing Lai; Shek-Man Yiu; Chi-Chiu Ko","A new class of highly solvatochromic dicyano rhenate(I) diimine complexes ‒ synthesis, photophysics and photocatalysis","Chem.Commun.","2013","49","","2311","","10.1039/c3cc39189b","","","1.5418","CuKα","","0.0285","0.0267","","","0.0739","0.0753","","","","","","1.031","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108968","9.9402","0.0002","15.3605","0.0002","21.5569","0.0003","90","","90","","90","","3291.45","0.09","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H46 N5 O3 Re -","- C32 H46 N5 O3 Re -","- C128 H184 N20 O12 Re4 -","4","1","","Larry Tso-Lun Lo; Sze-Wing Lai; Shek-Man Yiu; Chi-Chiu Ko","A new class of highly solvatochromic dicyano rhenate(I) diimine complexes ‒ synthesis, photophysics and photocatalysis","Chem.Commun.","2013","49","","2311","","10.1039/c3cc39189b","","","1.5418","CuKα","","0.0299","0.0297","","","0.0844","0.0847","","","","","","1.078","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108969","13.2082","0.0013","10.3273","0.0011","15.977","0.003","90","","99.482","0.005","90","","2149.6","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H72 B2 I2 N2 P4 Pt2 -","- C28 H72 B2 I2 N2 P4 Pt2 -","- C56 H144 B4 I4 N4 P8 Pt4 -","2","0.5","","Holger Braunschweig; Rudiger Bertermann; Alexander Damme; Thomas Kupfer","A dinuclear platinum complex featuring the diboran(4)-1,2-diyl ligand in a mu/2-bridging coordination mode","Chem.Commun.","2013","49","","2439","","10.1039/c3cc38686d","","","0.71073","MoKα","","0.0235","0.0191","","","0.0466","0.0487","","","","","","1.078","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108970","16.868","0.015","11.209","0.01","16.361","0.014","90","","113.295","0.01","90","","2841","4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H42 B2 I2 N2 P2 Pt -","- C16 H42 B2 I2 N2 P2 Pt -","- C64 H168 B8 I8 N8 P8 Pt4 -","4","1","","Holger Braunschweig; Rudiger Bertermann; Alexander Damme; Thomas Kupfer","A dinuclear platinum complex featuring the diboran(4)-1,2-diyl ligand in a mu/2-bridging coordination mode","Chem.Commun.","2013","49","","2439","","10.1039/c3cc38686d","","","0.71073","MoKα","","0.0443","0.0374","","","0.0767","0.0793","","","","","","1.133","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108971","9.1629","0.0008","14.7835","0.0012","16.1693","0.0014","67.061","0.001","87.93","0.001","77.194","0.001","1963.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H17 Cl4 N4 O10 Pd2 Sm -","- C24 H12 Cl4 N4 O10 Pd2 Sm -","- C48 H24 Cl8 N8 O20 Pd4 Sm2 -","2","1","","Sheng-Li Huang; Ai-Quan Jia; Guo-Xin Jin","Pd(diimine)Cl2 embedded heterometallic compounds with porous structures as efficient heterogeneous catalysts","Chem.Commun.","2013","49","","2403","","10.1039/c3cc38714c","","","0.71073","MoKα","","0.042","0.0395","","","0.1387","0.1434","","","","","","1.093","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108972","9.1669","0.0005","14.7619","0.0008","16.2021","0.0008","66.984","0.001","87.918","0.001","77.16","0.001","1964.37","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H17 Cl4 Eu N4 O10 Pd2 -","- C24 H12 Cl4 Eu N4 O10 Pd2 -","- C48 H24 Cl8 Eu2 N8 O20 Pd4 -","2","1","","Sheng-Li Huang; Ai-Quan Jia; Guo-Xin Jin","Pd(diimine)Cl2 embedded heterometallic compounds with porous structures as efficient heterogeneous catalysts","Chem.Commun.","2013","49","","2403","","10.1039/c3cc38714c","","","0.71073","MoKα","","0.0447","0.0402","","","0.1408","0.1519","","","","","","1.117","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108973","9.1605","0.0008","14.7381","0.0013","16.2023","0.0015","66.955","0.001","87.901","0.001","77.07","0.001","1958.7","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H17 Cl4 Gd N4 O10 Pd2 -","- C24 H12 Cl4 Gd N4 O10 Pd2 -","- C48 H24 Cl8 Gd2 N8 O20 Pd4 -","2","1","","Sheng-Li Huang; Ai-Quan Jia; Guo-Xin Jin","Pd(diimine)Cl2 embedded heterometallic compounds with porous structures as efficient heterogeneous catalysts","Chem.Commun.","2013","49","","2403","","10.1039/c3cc38714c","","","0.71073","MoKα","","0.0583","0.0521","","","0.1761","0.1827","","","","","","1.067","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108974","9.157","0.0007","14.7179","0.0011","16.2237","0.0013","66.919","0.001","87.944","0.001","77.027","0.001","1956.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H17 Cl4 N4 O10 Pd2 Tb -","- C24 H12 Cl4 N4 O10 Pd2 Tb -","- C48 H24 Cl8 N8 O20 Pd4 Tb2 -","2","1","","Sheng-Li Huang; Ai-Quan Jia; Guo-Xin Jin","Pd(diimine)Cl2 embedded heterometallic compounds with porous structures as efficient heterogeneous catalysts","Chem.Commun.","2013","49","","2403","","10.1039/c3cc38714c","","","0.71073","MoKα","","0.0714","0.0558","","","0.1723","0.1896","","","","","","1.117","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108975","10.6787","0.001","11.3255","0.0009","12.1898","0.0012","113.135","0.009","99.67","0.008","98.548","0.007","1298.4","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","(CuCl(3GCage))","","","- C25 H32 Cl Cu N5 O5 -","- C23 H26 Cl Cu N5 O4 -","- C46 H52 Cl2 Cu2 N10 O8 -","2","1","","Anupa A. Kumbhar; Andrew T. Franks; Raymond J. Butcher; Katherine J. Franz","Light uncages a copper complex to induce nonapoptotic cell death","Chem.Commun.","2013","49","","2460","","10.1039/c3cc38927h","","","1.54184","CuKα","","0.0651","0.0611","","","0.1822","0.1876","","","","","","1.114","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108976","18.7202","0.0005","7.6215","0.0002","15.8566","0.0005","90","","90","","90","","2262.36","0.11","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C26 H26 N O3 P -","- C26 H26 N O3 P -","- C104 H104 N4 O12 P4 -","4","1","","Florian Dulong; Jacky Pouessel; Pierre Thuery; Jean-Claude Berthet; Michel Ephritikhine; Thibault Cantat","Nitrite complexes of uranium and thorium","Chem.Commun.","2013","49","","2412","","10.1039/c3cc39163a","","","0.71073","MoKα","","0.0554","0.0469","","","0.1297","0.1351","","","","","","1.047","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108977","17.6259","0.0004","13.8559","0.0004","23.1389","0.0005","90","","110.643","0.0014","90","","5288.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H45 N7 O12 P2 Th -","- C53 H45 N7 O12 P2 Th -","- C212 H180 N28 O48 P8 Th4 -","4","1","","Florian Dulong; Jacky Pouessel; Pierre Thuery; Jean-Claude Berthet; Michel Ephritikhine; Thibault Cantat","Nitrite complexes of uranium and thorium","Chem.Commun.","2013","49","","2412","","10.1039/c3cc39163a","","","0.71073","MoKα","","0.0507","0.032","","","0.0774","0.0821","","","","","","1.034","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108978","11.2048","0.0003","21.699","0.0006","22.4861","0.0004","78.0104","0.0015","81.8288","0.0015","75.3495","0.0013","5150.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H46.5 N6.5 O12.5 P2 Th -","- C51 H46.5 N6.5 O12.5 P2 Th -","- C204 H186 N26 O50 P8 Th4 -","4","2","","Florian Dulong; Jacky Pouessel; Pierre Thuery; Jean-Claude Berthet; Michel Ephritikhine; Thibault Cantat","Nitrite complexes of uranium and thorium","Chem.Commun.","2013","49","","2412","","10.1039/c3cc39163a","","","0.71073","MoKα","","0.0584","0.035","","","0.0841","0.0899","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7108979","10.0718","0.0002","10.7528","0.0002","11.7809","0.0003","99.5411","0.0007","93.7891","0.0007","114.61","0.0009","1130.86","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 N4 O10 P2 U -","- C48 H40 N4 O10 P2 U -","- C48 H40 N4 O10 P2 U -","1","0.5","","Florian Dulong; Jacky Pouessel; Pierre Thuery; Jean-Claude Berthet; Michel Ephritikhine; Thibault Cantat","Nitrite complexes of uranium and thorium","Chem.Commun.","2013","49","","2412","","10.1039/c3cc39163a","","","0.71073","MoKα","","0.0239","0.0214","","","0.0513","0.0514","","","","","","1.05","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108980","19.1742","0.0009","13.8266","0.0008","38.374","0.002","90","","99.58","0.003","90","","10031.6","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H45 N5 O10 P2 U -","- C53 H45 N5 O10 P2 U -","- C424 H360 N40 O80 P16 U8 -","8","1","","Florian Dulong; Jacky Pouessel; Pierre Thuery; Jean-Claude Berthet; Michel Ephritikhine; Thibault Cantat","Nitrite complexes of uranium and thorium","Chem.Commun.","2013","49","","2412","","10.1039/c3cc39163a","","","0.71073","MoKα","","0.0788","0.0491","","","0.1238","0.1361","","","","","","1.019","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108981","10.8044","0.0003","12.8701","0.0004","13.024","0.0003","109.741","0.003","91.202","0.002","106.8","0.003","1617.65","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 B N O2 -","- C18 H20 B N O2 -","- C72 H80 B4 N4 O8 -","4","2","","Cam Thuy Hoang; Ivan Prokes; Guy J. Clarkson; Matthew J. Rowland; James H. R. Tucker; Michael Shipman; Tiffany R. Walsh","Study of boron-nitrogen dative bonds using azetidine inversion dynamics","Chem.Commun.","2013","49","","2509","","10.1039/c3cc36159d","","","1.54184","CuKα","","0.0429","0.0374","","","0.0983","0.1033","","","","","","1.023","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108982","18.372","0.005","11.078","0.004","19.847","0.005","90","","97.849","0.009","90","","4002","2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H49 B N2 O12 -","- C43 H49 B N2 O12 -","- C172 H196 B4 N8 O48 -","4","1","","Yoshitaka Terashima; Mayumi Takayama; Katsuhiro Isozaki; Hiromitsu Maeda","Ion-based materials of boron-modified dipyrrolyldiketones as anion receptors","Chem.Commun.","2013","49","","2506","","10.1039/c3cc38494b","","","0.71075","MoKα","","0.0797","0.0486","","","0.1115","0.125","","","","","","1.036","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108983","12.154","0.0002","19.3011","0.0004","21.6869","0.0004","88.2974","0.0009","78.0546","0.001","82.5905","0.001","4935.68","0.16","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H69 B Cl N3 O10 -","- C51 H69 B Cl N3 O10 -","- C204 H276 B4 Cl4 N12 O40 -","4","2","","Yoshitaka Terashima; Mayumi Takayama; Katsuhiro Isozaki; Hiromitsu Maeda","Ion-based materials of boron-modified dipyrrolyldiketones as anion receptors","Chem.Commun.","2013","49","","2506","","10.1039/c3cc38494b","","","1.54187","CuKα","","0.1282","0.0837","","","0.2251","0.2618","","","","","","1.004","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108984","11.2288","0.0002","12.3482","0.0003","16.4083","0.0003","71.0113","0.0013","70.5677","0.0011","80.8212","0.0012","2025.39","0.07","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 B N2 O11 -","- C45 H47 B N2 O11 -","- C90 H94 B2 N4 O22 -","2","1","","Yoshitaka Terashima; Mayumi Takayama; Katsuhiro Isozaki; Hiromitsu Maeda","Ion-based materials of boron-modified dipyrrolyldiketones as anion receptors","Chem.Commun.","2013","49","","2506","","10.1039/c3cc38494b","","","1.54187","CuKα","","0.0843","0.0518","","","0.1264","0.1588","","","","","","1.051","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108985","38.03","0.02","8.049","0.003","25.145","0.011","90","","120.622","0.009","90","","6624","5","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H42 N2 O10 -","- C31 H42 N2 O10 -","- C248 H336 N16 O80 -","8","1","","Li-Li Zhao; Shun-Yi Wang; Xiao-Ping Xu; Shun-Jun Ji","Dual 1,3-dipolar cycloaddition of carbon dioxide: two C[double bond, length as m-dash]O bonds of CO2 react in one reaction","Chem.Commun.","2013","49","","2569","","10.1039/c3cc38526d","","","0.71075","MoKα","","0.0964","0.0724","","","0.1757","0.2269","","","","","","0.986","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108986","11.435","0.005","9.023","0.004","15.152","0.007","90","","99.011","0.01","90","","1544.1","1.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H30 N4 Ni O3 -","- C35 H30 N4 Ni O3 -","- C70 H60 N8 Ni2 O6 -","2","1","","Daizong Lin; Jiang Wang; Xu Zhang; Shengbin Zhou; Jie Lian; Hualiang Jiang; Hong Liu","Highly diastereoselective synthesis of 3-indolylglycines via an asymmetric oxidative heterocoupling reaction of a chiral nickel(II) complex and indoles","Chem.Commun.","2013","49","","2575","","10.1039/c3cc38908a","","","0.71073","MoKα","","0.1828","0.1047","","","0.169","0.1989","","","","","","1.027","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108987","25.7826","0.0005","25.7826","0.0005","25.6888","0.0007","90","","90","","90","","17076.4","0.7","100","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C192 H240 N24 O24 -","- C192 H240 N24 O24 -","- C384 H480 N48 O48 -","2","0.25","","Pawel Skowronek; Beata Warzajtis; Urszula Rychlewska; Jacek Gawronski","Self-assembly of a covalent organic cage with exceptionally large and symmetrical interior cavity: the role of entropy of symmetry","Chem.Commun.","2013","49","","2524","","10.1039/c3cc39098e","","","1.54178","CuKα","","0.0926","0.076","","","0.2269","0.2396","","","","","","1.022","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108988","10.8119","0.0007","12.1454","0.0008","12.1718","0.0008","104.339","0.005","110.802","0.005","100.215","0.005","1384.1","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H35 N3 O2 S -","- C33 H35 N3 O2 S -","- C66 H70 N6 O4 S2 -","2","1","","Arnab Banerjee; Animesh Sahana; Sisir Lohar; Ipsit Hauli; Subhra Kanti Mukhopadhyay; Damir A. Safin; Maria G. Babashkina; Michael Bolte; Yann Garcia; Debasis Das","A rhodamine derivative as a “lock” and SCN‒ as a 'key': visible light excitable SCN-sensing in living cells","Chem.Commun.","2013","49","","2527","","10.1039/c3cc40582f","","","0.71073","MoKα","","0.0704","0.0548","","","0.145","0.1532","","","","","","1.029","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108989","11.454","0.005","8.985","0.004","18.166","0.006","90","","122.113","0.019","90","","1583.5","1.2","220","","220","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Cl2 Cu N4 O5 -","- C11 H18 Cl2 Cu N4 O5.008 -","- C44 H72 Cl8 Cu4 N16 O20.032 -","4","1","","Kimberly M. Lincoln; Paulina Gonzalez; Timothy E. Richardson; David A. Julovich; Ryker Saunders; James W.Simpkins; Kayla N. Green","A potent antioxidant small molecule aimed at targeting metal-based oxidative stress in neurodegenerative disorders","Chem.Commun.","2013","49","","2712","","10.1039/c2cc36808k","","","0.71073","MOKα","","0.0277","0.0245","","","0.0638","0.066","","","","","","1.024","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108990","11.5092","0.0005","9.0075","0.0004","15.4711","0.0007","90","","97.41","0.002","90","","1590.48","0.12","89","2","89","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H21 Cl2 N4 O5 Zn -","- C11 H18 Cl2 N4 O5 Zn -","- C44 H72 Cl8 N16 O20 Zn4 -","4","1","","Kimberly M. Lincoln; Paulina Gonzalez; Timothy E. Richardson; David A. Julovich; Ryker Saunders; James W.Simpkins; Kayla N. Green","A potent antioxidant small molecule aimed at targeting metal-based oxidative stress in neurodegenerative disorders","Chem.Commun.","2013","49","","2712","","10.1039/c2cc36808k","","","0.71073","MoKα","","0.0684","0.0453","","","0.1106","0.1251","","","","","","1.019","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7108991","16.581","0.004","9.272","0.002","22.553","0.005","90","","95.961","0.004","90","","3448.5","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 Cl2 Si9 -","- C16 H48 Cl2 Si9 -","- C64 H192 Cl8 Si36 -","4","0.5","","Xu-Qiong Xiao; Hui Zhao; Zheng Xu; Guoqiao Lai; Xiao-Lin He; Zhifang Li","Reduction of the dihalocyclopentasilanes. A quest for a homocyclic silylene","Chem.Commun.","2013","49","","2706","","10.1039/c3cc00114h","","","0.71073","MoKα","","0.0439","0.0345","","","0.1178","0.1332","","","","","","1.043","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108992","16.3991","0.0019","9.4161","0.0011","22.631","0.003","90","","95.312","0.003","90","","3479.6","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H48 Br2 Si9 -","- C16 H48 Br2 Si9 -","- C64 H192 Br8 Si36 -","4","0.5","","Xu-Qiong Xiao; Hui Zhao; Zheng Xu; Guoqiao Lai; Xiao-Lin He; Zhifang Li","Reduction of the dihalocyclopentasilanes. A quest for a homocyclic silylene","Chem.Commun.","2013","49","","2706","","10.1039/c3cc00114h","","","0.71073","MoKα","","0.0502","0.038","","","0.0925","0.1024","","","","","","1.016","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108993","10.925","0.003","25.574","0.007","18.928","0.005","90","","96.712","0.005","90","","5252","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H81 K O3 Si10 -","- C31 H81 K O3 Si10 -","- C124 H324 K4 O12 Si40 -","4","1","","Xu-Qiong Xiao; Hui Zhao; Zheng Xu; Guoqiao Lai; Xiao-Lin He; Zhifang Li","Reduction of the dihalocyclopentasilanes. A quest for a homocyclic silylene","Chem.Commun.","2013","49","","2706","","10.1039/c3cc00114h","","","0.71073","MoKα","","0.121","0.0625","","","0.1574","0.1892","","","","","","1.017","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108994","27.289","0.002","12.4843","0.001","20.2377","0.0016","90","","113.001","0.001","90","","6346.5","0.9","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H96 Si18 -","- C32 H96 Si18 -","- C128 H384 Si72 -","4","0.5","","Xu-Qiong Xiao; Hui Zhao; Zheng Xu; Guoqiao Lai; Xiao-Lin He; Zhifang Li","Reduction of the dihalocyclopentasilanes. A quest for a homocyclic silylene","Chem.Commun.","2013","49","","2706","","10.1039/c3cc00114h","","","0.71073","MoKα","","0.0488","0.0359","","","0.1114","0.1262","","","","","","0.899","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108995","11.328","0.0003","8.9133","0.0002","11.9526","0.0003","90","","113.493","0.003","90","","1106.81","0.05","123","2","123","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C25 H21 Br N2 O5 -","- C25 H21 Br N2 O5 -","- C50 H42 Br2 N4 O10 -","2","1","","Lara Cala; Abraham Mendoza; Francisco J. Fananas; Felix Rodriguez","A catalytic multicomponent coupling reaction for the enantioselective synthesis of spiroacetals","Chem.Commun.","2013","49","","2715","","10.1039/c3cc00118k","","x-ray","1.54184","CuKα","","0.0233","0.0232","","","0.0627","0.0631","","","","","","1.052","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108996","9.2238","0.0004","11.1436","0.0005","11.2447","0.0006","108.516","0.002","111.217","0.002","105.005","0.003","925.82","0.09","150","2","150","2","","","","","","","","6","P 1","P 1","1","","","","- C42 H42 Hf N2 P2 S -","- C42 H42 Hf N2 P2 S -","- C42 H42 Hf N2 P2 S -","1","1","","Michael J. Sgro; Douglas W. Stephan","Activation of CO2 by phosphinoamide hafnium complexes","Chem.Commun.","2013","49","","2610","","10.1039/c3cc38286a","","","0.71073","MoKα","","0.0198","0.0197","","","0.0373","0.0373","","","","","","0.793","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108997","29.761","0.002","10.3371","0.0007","20.9993","0.0017","90","","90","","90","","6460.3","0.8","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H50 Hf N2 P2 S -","- C30 H50 Hf N2 P2 S -","- C240 H400 Hf8 N16 P16 S8 -","8","2","","Michael J. Sgro; Douglas W. Stephan","Activation of CO2 by phosphinoamide hafnium complexes","Chem.Commun.","2013","49","","2610","","10.1039/c3cc38286a","","","0.71073","MoKα","","0.0419","0.0308","","","0.0443","0.0469","","","","","","0.96","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108998","13.8106","0.0006","16.6203","0.0007","17.2159","0.0007","97.123","0.002","106.822","0.002","96.886","0.002","3702.6","0.3","150","2","150","2","","","","","","","","10","P -1","-P 1","2","","","","- C66 H40 B Br F20 Hf N2 O2 P2 S -","- C66 H40 B Br F20 Hf N2 O2 P2 S -","- C132 H80 B2 Br2 F40 Hf2 N4 O4 P4 S2 -","2","1","","Michael J. Sgro; Douglas W. Stephan","Activation of CO2 by phosphinoamide hafnium complexes","Chem.Commun.","2013","49","","2610","","10.1039/c3cc38286a","","","0.71073","MoKα","","0.0365","0.0299","","","0.0713","0.0732","","","","","","1.079","","","","has coordinates","180193","2020-10-21","18:00:00",""
"7108999","8.9951","0.0009","13.0144","0.0012","27.752","0.002","90","","90","","90","","3248.8","0.5","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","PEPSEQ A=5 PHE-GLY-ALA-PHE*-LEU","Phenyl-Glycyl-Alanyl-(α,β-dehydrophenylalanyl)-Leucine dihydrate","","- C29 H41 N5 O8 -","- C29 H37 N5 O8 -","- C116 H148 N20 O32 -","4","1","","Aseem Mishra; Anurag Misra; T. Sri Vaishnavi; Chaitanya Thota; Madhvi Gupta; Suryanarayanarao Ramakumar; Virander Singh Chauhan","Conformationally restricted short peptides inhibit human islet amyloid polypeptide (hIAPP) fibrillization","Chem.Commun.","2013","49","","2688","","10.1039/c3cc38982k","","x-ray","0.71073","MoKα","","0.1356","0.0595","","","0.14","0.1825","","","","","","1.032","","","","has coordinates,has disorder","180193","2020-10-21","18:00:00",""
"7109000","12.895","0.002","9.0534","0.0016","13.089","0.002","90","","104.071","0.009","90","","1482.2","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","PEPSEQ A=5 PHE-GLY-ALA-PHE*-ILE","Phenyl-Glycyl-Alanyl-(α,β-dehydrophenylalanyl)-Isoleucine dihydrate","","- C29 H41 N5 O8 -","- C29 H41 N5 O8 -","- C58 H82 N10 O16 -","2","1","","Aseem Mishra; Anurag Misra; T. Sri Vaishnavi; Chaitanya Thota; Madhvi Gupta; Suryanarayanarao Ramakumar; Virander Singh Chauhan","Conformationally restricted short peptides inhibit human islet amyloid polypeptide (hIAPP) fibrillization","Chem.Commun.","2013","49","","2688","","10.1039/c3cc38982k","","x-ray","0.71073","MoKα","","0.103","0.0502","","","0.0892","0.1067","","","","","","0.978","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109001","10.258","0.002","10.714","0.002","14.328","0.003","106.41","0.03","93.68","0.03","108.85","0.03","1408.4","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cd N2 O4 -","- C34 H26 Cd N2 O4 -","- C68 H52 Cd2 N4 O8 -","2","1","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Stepwise ligand transformations through [2+2] photodimerization and hydrothermal in situ oxidation reactions","Chem.Commun.","2013","49","","2682","","10.1039/c3cc39286d","","","0.71073","MoKα","","0.0568","0.045","","","0.1082","0.1144","","","","","","1.02","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109002","10.298","0.002","10.631","0.002","14.608","0.003","107.72","0.03","93.61","0.03","108.14","0.03","1425.5","0.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cd N2 O4 -","- C34 H26 Cd N2 O4 -","- C68 H52 Cd2 N4 O8 -","2","1","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Stepwise ligand transformations through [2+2] photodimerization and hydrothermal in situ oxidation reactions","Chem.Commun.","2013","49","","2682","","10.1039/c3cc39286d","","","0.71073","MoKα","","0.149","0.0993","","","0.1903","0.2133","","","","","","1.189","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109003","10.3","0.002","11.96","0.002","14.114","0.003","70.96","0.03","70.79","0.03","66.7","0.03","1468.9","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cd N2 O7 -","- C34 H26 Cd N2 O7 -","- C68 H52 Cd2 N4 O14 -","2","1","","Dong Liu; Jian-Ping Lang; Brendan F. Abrahams","Stepwise ligand transformations through [2+2] photodimerization and hydrothermal in situ oxidation reactions","Chem.Commun.","2013","49","","2682","","10.1039/c3cc39286d","","","0.71073","MoKα","","0.0342","0.0282","","","0.061","0.0633","","","","","","1.038","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109004","22.5075","0.0012","12.6461","0.0007","20.6804","0.0011","90","","118.996","0.003","90","","5148.5","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 F6 N3 O2 P -","- C28 H20 F6 N3 O2 P -","- C224 H160 F48 N24 O16 P8 -","8","1","","Sandeep Kumar; Prabhpreet Singh; Geeta Hundal; Maninder Singh Hundal; Subodh Kumar","A chemodosimeter for ratiometric detection of cyanide in aqueous media and human blood serum","Chem.Commun.","2013","49","","2667","","10.1039/c3cc40435h","","","0.71073","MoKα","","0.2625","0.0963","","","0.2562","0.3421","","","","","","0.998","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109005","8.718","0.003","12.036","0.004","12.296","0.004","65.498","0.016","86.432","0.017","78.223","0.015","1149","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N3 O3 -","- C28 H21 N3 O3 -","- C56 H42 N6 O6 -","2","1","","Sandeep Kumar; Prabhpreet Singh; Geeta Hundal; Maninder Singh Hundal; Subodh Kumar","A chemodosimeter for ratiometric detection of cyanide in aqueous media and human blood serum","Chem.Commun.","2013","49","","2667","","10.1039/c3cc40435h","","","0.71073","MoKα","","0.2083","0.145","","","0.4332","0.4664","","","","","","1.528","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109006","12.604","0.008","9.138","0.004","23.915","0.016","90","","97.91","0.02","90","","2728","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 N3 O4 S -","- C32 H27 N3 O4 S -","- C128 H108 N12 O16 S4 -","4","1","","Sandeep Kumar; Prabhpreet Singh; Geeta Hundal; Maninder Singh Hundal; Subodh Kumar","A chemodosimeter for ratiometric detection of cyanide in aqueous media and human blood serum","Chem.Commun.","2013","49","","2667","","10.1039/c3cc40435h","","","0.71073","MoKα","","0.1377","0.0687","","","0.1574","0.1955","","","","","","1.034","","","","has coordinates,has disorder","180194","2020-10-21","18:00:00",""
"7109007","8.935","0.003","21.352","0.008","11.253","0.004","90","","92.026","0.011","90","","2145.5","1.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O2 P2 Se4 -","- C17 H20 O2 P2 Se4 -","- C68 H80 O8 P8 Se16 -","4","1","","Guoxiong Hua; Alexandra M. Z. Slawin; Rebecca A. M. Randall; David B. Cordes; Luke Crawford; Michael Buhl; J. Derek Woollins","An efficient route for the synthesis of phosphorus-selenium macro-heterocycles","Chem.Commun.","2013","49","","2619","","10.1039/c3cc40515j","","","0.71073","MoKα","","0.052","0.0432","","","0.0944","0.0986","","","","","","1.067","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109008","9.139","0.002","9.953","0.002","26.516","0.007","90","","90","","90","","2411.9","1","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O2 P2 Se4 -","- C22 H22 O2 P2 Se4 -","- C88 H88 O8 P8 Se16 -","4","1","","Guoxiong Hua; Alexandra M. Z. Slawin; Rebecca A. M. Randall; David B. Cordes; Luke Crawford; Michael Buhl; J. Derek Woollins","An efficient route for the synthesis of phosphorus-selenium macro-heterocycles","Chem.Commun.","2013","49","","2619","","10.1039/c3cc40515j","","","0.71073","MoKα","","0.0281","0.0274","","","0.0628","0.0632","","","","","","1.119","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109009","26.37","0.007","7.177","0.002","22.019","0.008","90","","99.462","0.008","90","","4111","2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 O2 P2 Se4 -","- C16 H18 O2 P2 Se4 -","- C128 H144 O16 P16 Se32 -","8","1","","Guoxiong Hua; Alexandra M. Z. Slawin; Rebecca A. M. Randall; David B. Cordes; Luke Crawford; Michael Buhl; J. Derek Woollins","An efficient route for the synthesis of phosphorus-selenium macro-heterocycles","Chem.Commun.","2013","49","","2619","","10.1039/c3cc40515j","","","0.71073","MoKα","","0.0522","0.0384","","","0.0684","0.074","","","","","","0.999","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109010","11.234","0.003","11.774","0.003","12.298","0.004","101.435","0.006","106.641","0.006","96.727","0.004","1501.2","0.7","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 O2 P2 Se4 -","- C29 H28 O2 P2 Se4 -","- C58 H56 O4 P4 Se8 -","2","1","","Guoxiong Hua; Alexandra M. Z. Slawin; Rebecca A. M. Randall; David B. Cordes; Luke Crawford; Michael Buhl; J. Derek Woollins","An efficient route for the synthesis of phosphorus-selenium macro-heterocycles","Chem.Commun.","2013","49","","2619","","10.1039/c3cc40515j","","","0.71073","MoKα","","0.0569","0.0406","","","0.0645","0.0724","","","","","","0.988","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109011","9.013","0.002","14.311","0.003","19.453","0.005","90","","98.027","0.008","90","","2484.6","1","93","2","93","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C20 H26 O2 P2 Se4 -","- C20 H26 O2 P2 Se4 -","- C80 H104 O8 P8 Se16 -","4","2","","Guoxiong Hua; Alexandra M. Z. Slawin; Rebecca A. M. Randall; David B. Cordes; Luke Crawford; Michael Buhl; J. Derek Woollins","An efficient route for the synthesis of phosphorus-selenium macro-heterocycles","Chem.Commun.","2013","49","","2619","","10.1039/c3cc40515j","","","0.71073","MoKα","","0.0758","0.0645","","","0.1732","0.1905","","","","","","1.039","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109012","22.92","0.012","9.231","0.003","15.919","0.009","90","","133.807","0.007","90","","2431","2","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 O2 P2 Se4 -","- C20 H26 O2 P2 Se4 -","- C80 H104 O8 P8 Se16 -","4","0.5","","Guoxiong Hua; Alexandra M. Z. Slawin; Rebecca A. M. Randall; David B. Cordes; Luke Crawford; Michael Buhl; J. Derek Woollins","An efficient route for the synthesis of phosphorus-selenium macro-heterocycles","Chem.Commun.","2013","49","","2619","","10.1039/c3cc40515j","","","0.71073","MoKα","","0.0559","0.0504","","","0.1288","0.1327","","","","","","1.075","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109013","18.502","0.002","11.9483","0.0014","23.881","0.003","90","","111.591","0.002","90","","4908.9","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","work","","","- C58 H48 N6 Ni S2 -","- C58 H48 N6 Ni S2 -","- C232 H192 N24 Ni4 S8 -","4","1","","Matteo Lusi; Leonard J. Barbour","Solid-vapour reactions as a post-synthetic modification tool for molecular crystals: the enclathration of benzene and toluene by Werner complexes","Chem.Commun.","2013","49","","2634","","10.1039/c3cc40521d","","","0.71073","MoKα","","0.1542","0.0651","","","0.1522","0.2076","","","","","","0.859","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109014","13.039","0.004","13.178","0.004","21.477","0.007","85.204","0.004","79.744","0.004","64.519","0.003","3278.1","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","work","","","- C52 H42 N6 Ni S2 -","- C52 H42 N6 Ni S2 -","- C156 H126 N18 Ni3 S6 -","3","1.5","","Matteo Lusi; Leonard J. Barbour","Solid-vapour reactions as a post-synthetic modification tool for molecular crystals: the enclathration of benzene and toluene by Werner complexes","Chem.Commun.","2013","49","","2634","","10.1039/c3cc40521d","","","0.71073","MoKα","","0.288","0.1252","","","0.2971","0.3795","","","","","","0.993","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109015","43.6737","0.0009","10.2287","0.0002","22.9715","0.0004","90","","90","","90","","10261.9","0.3","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","ml108","","","- C60 H52 N6 Ni S2 -","- C60 H52 N6 Ni S2 -","- C480 H416 N48 Ni8 S16 -","8","0.5","","Matteo Lusi; Leonard J. Barbour","Solid-vapour reactions as a post-synthetic modification tool for molecular crystals: the enclathration of benzene and toluene by Werner complexes","Chem.Commun.","2013","49","","2634","","10.1039/c3cc40521d","","","0.71073","MoKα","","0.0488","0.0386","","","0.0887","0.095","","","","","","1.035","","","","has coordinates,has disorder","180194","2020-10-21","18:00:00",""
"7109016","10.62","0.006","23.084","0.012","22.693","0.012","90","","99.406","0.008","90","","5488","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","work","","","- C30 H26 N3 Ni0.5 S -","- C30 H26 N3 Ni0.5 S -","- C240 H208 N24 Ni4 S8 -","8","1","","Matteo Lusi; Leonard J. Barbour","Solid-vapour reactions as a post-synthetic modification tool for molecular crystals: the enclathration of benzene and toluene by Werner complexes","Chem.Commun.","2013","49","","2634","","10.1039/c3cc40521d","","","0.71073","MoKα","","0.1237","0.076","","","0.2223","0.2769","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109017","5.5633","0.0002","18.1464","0.0005","18.1598","0.0005","90","","90","","90","","1833.3","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Cl N O5 -","- C19 H20 Cl N O5 -","- C76 H80 Cl4 N4 O20 -","4","1","","Yu Qian; Changcheng Jing; Shunying Liu; Wenhao Hu","A highly enantioselective four-component reaction for the efficient construction of chiral beta-hydroxy-alpha-amino acid derivatives","Chem.Commun.","2013","49","","2700","","10.1039/c3cc40546j","","","0.71073","MoKα","","0.0339","0.0326","","","0.0923","0.0943","","","","","","1.058","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109018","30.701","0.004","30.701","0.004","28.957","0.005","90","","90","","90","","27293","7","100","2","100","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","UNLPF-1","","","- C100 H52 N4 O21 Zn5 -","- C100 H52 N4 O21 Zn5 -","- C400 H208 N16 O84 Zn20 -","4","0.125","","Jacob A. Johnson; Qipu Lin; Lai-Chin Wu; Nasrat Obaidi; Zachary L. Olson; Tyler C. Reeson; Yu-Sheng Chen; Jian Zhang","A 'pillar-free', highly porous metalloporphyrinic framework exhibiting eclipsed porphyrin arrays","Chem.Commun.","2013","49","","2828","","10.1039/c3cc00049d","","","0.49594","","","0.1544","0.0659","","","0.1605","0.1886","","","","","","0.991","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109019","8.3238","0.0017","8.5956","0.0017","16.157","0.003","95.4","0.03","90.39","0.03","104.22","0.03","1115.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 B2 I N -","- C24 H36 B2 I N -","- C48 H72 B4 I2 N2 -","2","1","","Holger Braunschweig; Alexander Damme; Thomas Kupfer","Synthesis of a bicyclic diborane by selective boron carbon bond formation","Chem.Commun.","2013","49","","2774","","10.1039/c3cc38789e","","","0.71073","MoKα","","0.0222","0.0212","","","0.0696","0.0743","","","","","","1.238","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109020","11.9142","0.0017","21.113","0.003","18.224","0.003","90","","107.722","0.003","90","","4366.6","1.1","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H68 N3 O2 S V -","- C45 H68 N3 O2 S V -","- C180 H272 N12 O8 S4 V4 -","4","1","","Ba L. Tran; Rick Thompson; Soumya Ghosh; Xinfeng Gao; Chun-Hsing Chen; Mu-Hyun Baik; Daniel J. Mindiola","A four-coordinate thionitrosyl complex of vanadium","Chem.Commun.","2013","49","","2768","","10.1039/c3cc38799b","","","0.71073","MoKα","","0.0607","0.0483","","0.145","0.1207","0.145","","","","","","1.0148","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109021","8.2349","0.0003","12.3743","0.0004","14.5566","0.0005","73.304","0.002","76.195","0.002","88.421","0.002","1378.42","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H46 Co I N P2 -","- C24 H46 Co I N P2 -","- C48 H92 Co2 I2 N2 P4 -","2","1","","Eugene Khaskin; Yael Diskin-Posner; Lev Weiner; Gregory Leitus; David Milstein","Formal loss of an H radical by a cobalt complex via metal-ligand cooperation","Chem.Commun.","2013","49","","2771","","10.1039/c3cc39049g","","","0.71073","MoKα","","0.0496","0.0341","","","0.0753","0.0809","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109022","8.3331","0.0003","12.3139","0.0005","14.4758","0.0005","73.052","0.002","76.271","0.002","88.469","0.003","1378.85","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H46 B Co F4 N P2 -","- C24 H46 B Co F4 N P2 -","- C48 H92 B2 Co2 F8 N2 P4 -","2","1","","Eugene Khaskin; Yael Diskin-Posner; Lev Weiner; Gregory Leitus; David Milstein","Formal loss of an H radical by a cobalt complex via metal-ligand cooperation","Chem.Commun.","2013","49","","2771","","10.1039/c3cc39049g","","","0.71073","MoKα","","0.0504","0.0344","","","0.0762","0.0818","","","","","","1.009","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109023","11.086","0.0001","13.661","0.0003","28.94","0.0006","90","","95.61","0.0012","90","","4361.85","0.14","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H37 Co N P2 -","- C20 H37 Co N P2 -","- C160 H296 Co8 N8 P16 -","8","2","","Eugene Khaskin; Yael Diskin-Posner; Lev Weiner; Gregory Leitus; David Milstein","Formal loss of an H radical by a cobalt complex via metal-ligand cooperation","Chem.Commun.","2013","49","","2771","","10.1039/c3cc39049g","","","0.71073","MoKα","","0.0873","0.0562","","","0.1361","0.1558","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109024","9.971","0.003","16.52","0.004","6.6012","0.0016","90","","102.18","0.02","90","","1062.9","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 Br2 Cl3 N O -","- C6 H2 Br2 Cl3 N O -","- C24 H8 Br8 Cl12 N4 O4 -","4","1","","Ali H. Essa; Reinner I. Lerrick; Floriana Tuna; Ross W. Harrington; William Clegg; Michael J. Hall","Reduction of 2,2,2-trichloro-1-arylethanones by RMgX: mechanistic investigation and the synthesis of substituted alpha,alpha-dichloroketones","Chem.Commun.","2013","49","","2756","","10.1039/c3cc39147g","","","0.71073","MoKα","","0.0406","0.0249","","","0.0446","0.0502","","","","","","1.138","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109025","21.1956","0.0011","7.5271","0.0004","17.1302","0.0014","90","","90","","90","","2733","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H13 Cl2 N O2 -","- C14 H13 Cl2 N O2 -","- C112 H104 Cl16 N8 O16 -","8","1","","Ali H. Essa; Reinner I. Lerrick; Floriana Tuna; Ross W. Harrington; William Clegg; Michael J. Hall","Reduction of 2,2,2-trichloro-1-arylethanones by RMgX: mechanistic investigation and the synthesis of substituted alpha,alpha-dichloroketones","Chem.Commun.","2013","49","","2756","","10.1039/c3cc39147g","","","0.71073","MoKα","","0.0606","0.0429","","","0.0981","0.1091","","","","","","1.046","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109026","8.9648","0.0006","12.092","0.0007","14.027","0.0011","90","","106.344","0.008","90","","1459.11","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl2 N O3 -","- C15 H15 Cl2 N O3 -","- C60 H60 Cl8 N4 O12 -","4","1","","Ali H. Essa; Reinner I. Lerrick; Floriana Tuna; Ross W. Harrington; William Clegg; Michael J. Hall","Reduction of 2,2,2-trichloro-1-arylethanones by RMgX: mechanistic investigation and the synthesis of substituted alpha,alpha-dichloroketones","Chem.Commun.","2013","49","","2756","","10.1039/c3cc39147g","","","0.71073","MoKα","","0.0509","0.0369","","","0.0784","0.0868","","","","","","1.041","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109027","8.449","0.0005","21.9722","0.0012","8.5158","0.0006","90","","112.479","0.007","90","","1460.78","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl2 N2 O4 -","- C14 H12 Cl2 N2 O4 -","- C56 H48 Cl8 N8 O16 -","4","1","","Ali H. Essa; Reinner I. Lerrick; Floriana Tuna; Ross W. Harrington; William Clegg; Michael J. Hall","Reduction of 2,2,2-trichloro-1-arylethanones by RMgX: mechanistic investigation and the synthesis of substituted alpha,alpha-dichloroketones","Chem.Commun.","2013","49","","2756","","10.1039/c3cc39147g","","","0.71073","MoKα","","0.0467","0.0335","","","0.0681","0.0753","","","","","","1.067","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109028","8.849","0.0011","8.8572","0.0006","9.6786","0.0009","88.06","0.006","72.636","0.01","80.267","0.008","713.48","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl2 N2 O3 -","- C14 H12 Cl2 N2 O3 -","- C28 H24 Cl4 N4 O6 -","2","1","","Ali H. Essa; Reinner I. Lerrick; Floriana Tuna; Ross W. Harrington; William Clegg; Michael J. Hall","Reduction of 2,2,2-trichloro-1-arylethanones by RMgX: mechanistic investigation and the synthesis of substituted alpha,alpha-dichloroketones","Chem.Commun.","2013","49","","2756","","10.1039/c3cc39147g","","","0.71073","MoKα","","0.0422","0.0331","","","0.0711","0.0768","","","","","","1.055","","","","has coordinates,has disorder","180194","2020-10-21","18:00:00",""
"7109029","12.4615","0.0006","13.4977","0.0005","17.2015","0.0007","90","","90","","90","","2893.3","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Cl2 N2 O4 -","- C14 H10 Cl2 N2 O4 -","- C112 H80 Cl16 N16 O32 -","8","1","","Ali H. Essa; Reinner I. Lerrick; Floriana Tuna; Ross W. Harrington; William Clegg; Michael J. Hall","Reduction of 2,2,2-trichloro-1-arylethanones by RMgX: mechanistic investigation and the synthesis of substituted alpha,alpha-dichloroketones","Chem.Commun.","2013","49","","2756","","10.1039/c3cc39147g","","","0.71073","MoKα","","0.0426","0.0323","","","0.0693","0.0753","","","","","","1.036","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109030","20.5311","0.0008","8.6613","0.0003","20.6671","0.0007","90","","104.761","0.004","90","","3553.9","0.2","123","2","123","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 N8 O6 Ru2 -","- C34 H38 N8 O6 Ru2 -","- C136 H152 N32 O24 Ru8 -","4","1","","Javier A. Cabeza; Marina Damonte; Pablo Garcia-Alvarez; Enrique Perez-Carreno","Easy abstraction of a hydride anion from an alkyl C-H bond of a coordinated bis(N-heterocyclic carbene)","Chem.Commun.","2013","49","","2813","","10.1039/c3cc40619a","","","1.5418","CuKα","","0.082","0.075","","","0.1955","0.1981","","","","","","1.193","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109031","13.3007","0.0005","15.6862","0.0005","15.257","0.0005","90","","92.473","0.003","90","","3180.22","0.19","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H16 N4 O14 Ru4 -","- C25 H16 N4 O14 Ru4 -","- C100 H64 N16 O56 Ru16 -","4","1","","Javier A. Cabeza; Marina Damonte; Pablo Garcia-Alvarez; Enrique Perez-Carreno","Easy abstraction of a hydride anion from an alkyl C-H bond of a coordinated bis(N-heterocyclic carbene)","Chem.Commun.","2013","49","","2813","","10.1039/c3cc40619a","","","1.5418","CuKα","","0.1233","0.0777","","","0.2013","0.2354","","","","","","1.202","","","","has coordinates,has disorder","180194","2020-10-21","18:00:00",""
"7109032","41.227","0.004","11.524","0.003","16.668","0.002","90","","98.418","0.011","90","","7834","2","210","","210","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H49 N O5 S -","- C45 H49 N O5 S -","- C360 H392 N8 O40 S8 -","8","1","","Jan Holub; Vaclav Eigner; Lukas Vrzal; Hana Dvorakova; Pavel Lhotak","Calix[4]arenes with intramolecularly bridged meta positions prepared via Pd-catalysed double C-H activation","Chem.Commun.","2013","49","","2798","","10.1039/c3cc40655e","","","1.5418","CuKα","","0.1282","0.0755","","0.1975","0.1271","0.1975","","","","","","0.9112","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109033","9.4797","0.0008","19.1121","0.0012","41.8099","0.0015","90","","90","","90","","7575","0.8","190","","190","","","","","","","","","4","P b n 21","P 2c -2ab","33","","","","- C45 H51 N O4 -","- C45 H51 N O4 -","- C360 H408 N8 O32 -","8","2","","Jan Holub; Vaclav Eigner; Lukas Vrzal; Hana Dvorakova; Pavel Lhotak","Calix[4]arenes with intramolecularly bridged meta positions prepared via Pd-catalysed double C-H activation","Chem.Commun.","2013","49","","2798","","10.1039/c3cc40655e","","x-ray","1.5418","CuKα","","0.1355","0.1117","","","0.1847","0.1929","","","","3.28","3.28","2.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109034","7.4965","0.0002","10.6303","0.0002","11.663","0.0003","100.531","0.0009","94.2654","0.0009","96.0409","0.001","904.52","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N2 O4 S -","- C19 H20 N2 O4 S -","- C38 H40 N4 O8 S2 -","2","1","","Andrej Duris; David M. Barber; Hitesh J. Sanganee; Darren J. Dixon","Diastereoselective synthesis of pyrrolidine derivatives via a one-pot nitro-Mannich/hydroamination cascade using base and gold catalysis","Chem.Commun.","2013","49","","2777","","10.1039/c3cc40729b","","","0.71073","MoKα","","0.0535","0.0444","","0.12","0.1096","0.12","","","","","","0.9271","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109035","23.604","0.003","16.7235","0.0018","10.4891","0.0011","90","","93.9007","0.0017","90","","4130.9","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Organic","Organic","","- C22 H25 Cl N2 O3 -","- C22 H25 Cl N2 O3 -","- C176 H200 Cl8 N16 O24 -","8","1","","Xinfang Xu; Xichen Xu; Peter Y. Zavalij; Michael P. Doyle","Dirhodium(II)-catalyzed formal [3+2+1]-annulation of azomethine imines with two molecules of a diazo ketone","Chem.Commun.","2013","49","","2762","","10.1039/c3cc41119b","","","0.71073","MoKα","","0.0444","0.037","","","0.0715","0.0737","","","","","","1","","","","has coordinates,has disorder","180194","2020-10-21","18:00:00",""
"7109036","16.1956","0.0001","17.7581","0.0001","18.1464","0.0002","90","","90","","90","","5218.96","0.07","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C27 H32 N3 O3 -","- C27 H31 N3 O3 -","- C216 H248 N24 O24 -","8","1","","Lei Zhang; Mingyue Zheng; Yun Zhai; Hong Liu","Rapid and selective access to three distinct sets of indole-based heterocycles from a single set of Ugi-adducts under microwave heating","Chem.Commun.","2013","49","","2894","","10.1039/c3cc00111c","","","1.54178","CuKα","","0.062","0.0593","","","0.182","0.1869","","","","","","1.129","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109037","9.1585","0.0013","28.601","0.004","10.3611","0.0015","90","","92.664","0.007","90","","2711.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 N4 O5 -","- C29 H41 N4 O5 -","- C116 H164 N16 O20 -","4","1","","Ayan Pal; Kerry J. Salandria; Joseph W. Arico; Mark K. Schlegel; Larry W. McLaughlin","2,3-Dicyclohexylsuccinimide as a directing/protecting group for the regioselective glycosylation or alkylation of purines","Chem.Commun.","2013","49","","2936","","10.1039/c3cc37265k","","","0.71073","MoKα","","0.0417","0.038","","","0.0937","0.0961","","","","","","1.047","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109038","12.808","0.0003","15.2538","0.0003","19.2266","0.0004","90","","90","","90","","3756.31","0.14","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H31 Al -","- C20 H31 Al -","- C160 H248 Al8 -","8","1","","Chelladurai Ganesamoorthy; Sinah Loerke; Christian Gemel; Paul Jerabek; Manuela Winter; Gernot Frenking; Roland A. Fischer","Reductive elimination: a pathway to low-valent aluminium species","Chem.Commun.","2013","49","","2858","","10.1039/c3cc38584a","","","1.54178","CuKα","","0.0713","0.0637","","","0.1589","0.1704","","","","","","1.056","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109039","15.2302","0.0002","19.2003","0.0002","10.4397","0.0001","90","","90","","90","","3052.82","0.06","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C30 H51 Al3 -","- C30 H51 Al3 -","- C120 H204 Al12 -","4","1","","Chelladurai Ganesamoorthy; Sinah Loerke; Christian Gemel; Paul Jerabek; Manuela Winter; Gernot Frenking; Roland A. Fischer","Reductive elimination: a pathway to low-valent aluminium species","Chem.Commun.","2013","49","","2858","","10.1039/c3cc38584a","","","1.54178","CuKα","","0.0331","0.0293","","","0.0789","0.0808","","","","","","1.033","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109040","12.4875","0.0018","19.709","0.002","19.089","0.003","90","","96.876","0.007","90","","4664.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H88 Co Li2 N4 O2 -","- C44 H88 Co Li2 N4 O2 -","- C176 H352 Co4 Li8 N16 O8 -","4","1","","Richard A. Lewis; Stephen P. George; Alon Chapovetsky; Guang Wu; Joshua S. Figueroa; Trevor W. Hayton","Synthesis of a cobalt(IV) ketimide with a squashed tetrahedral geometry","Chem.Commun.","2013","49","","2888","","10.1039/c3cc40461g","","","0.71073","MoKα","","0.0824","0.0499","","","0.1332","0.1523","","","","","","0.991","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109041","10.8516","0.0011","13.2752","0.0014","13.4533","0.0012","82.003","0.006","87.087","0.007","81.136","0.007","1895.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H70 Co Li N3 O4 -","- C35 H70 Co Li N3 O4 -","- C70 H140 Co2 Li2 N6 O8 -","2","1","","Richard A. Lewis; Stephen P. George; Alon Chapovetsky; Guang Wu; Joshua S. Figueroa; Trevor W. Hayton","Synthesis of a cobalt(IV) ketimide with a squashed tetrahedral geometry","Chem.Commun.","2013","49","","2888","","10.1039/c3cc40461g","","","0.71073","MoKα","","0.1068","0.05","","","0.1163","0.1481","","","","","","0.81","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109042","13.5073","0.0004","13.5432","0.0004","16.3252","0.0005","88.668","0.002","74.519","0.002","89.944","0.002","2877.23","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H104 Co Li N4 O8 -","- C52 H104 Co Li N4 O8 -","- C104 H208 Co2 Li2 N8 O16 -","2","1","","Richard A. Lewis; Stephen P. George; Alon Chapovetsky; Guang Wu; Joshua S. Figueroa; Trevor W. Hayton","Synthesis of a cobalt(IV) ketimide with a squashed tetrahedral geometry","Chem.Commun.","2013","49","","2888","","10.1039/c3cc40461g","","","0.71073","MoKα","","0.0715","0.0512","","","0.1471","0.1599","","","","","","0.959","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109043","11.3082","0.0009","11.5753","0.001","16.4021","0.0014","70.22","0.003","78.481","0.003","73.509","0.003","1924.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H72 Co N4 -","- C36 H72 Co N4 -","- C72 H144 Co2 N8 -","2","1","","Richard A. Lewis; Stephen P. George; Alon Chapovetsky; Guang Wu; Joshua S. Figueroa; Trevor W. Hayton","Synthesis of a cobalt(IV) ketimide with a squashed tetrahedral geometry","Chem.Commun.","2013","49","","2888","","10.1039/c3cc40461g","","","0.71073","MoKα","","0.0963","0.061","","","0.1619","0.1755","","","","","","0.977","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109044","7.598","0.003","15.108","0.007","5.183","0.002","90","","90","","90","","595","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","Ag-AMIDN","","","- C5 H2 Ag N5 -","- C5 H2 Ag N5 -","- C20 H8 Ag4 N20 -","4","1","","Huan Yang; Rui-Li Sang; Xiang Xu; Li Xu","An unprecedented 3-D SHG MOF material of silver(I) induced by chiral triple helices","Chem.Commun.","2013","49","","2909","","10.1039/c3cc40516h","","","0.71073","MoKα","","0.0275","0.0249","","","0.0509","0.0521","","","","","","1.063","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109045","12.631","0.003","18.89","0.004","11.552","0.002","90","","109.82","0.03","90","","2593","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H42 Bi2 O24 -","- C54 H42 Bi2 O24 -","- C108 H84 Bi4 O48 -","2","0.5","","Philip C. Andrews; Victoria L. Blair; Richard L. Ferrero; Peter C. Junk; Ish Kumar","Making Bispirin: synthesis, structure and activity against Helicobacter pylori of bismuth(III) acetylsalicylate","Chem.Commun.","2013","49","","2870","","10.1039/c3cc40645h","","","0.71073","synchrotron","","0.0303","0.0283","","","0.07","0.0712","","","","","","1.084","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109046","11.243","0.002","11.341","0.002","16.047","0.003","106.16","0.03","104.71","0.03","103.86","0.03","1791.7","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Bi K O16 -","- C36 H28 Bi K O16 -","- C72 H56 Bi2 K2 O32 -","2","1","","Philip C. Andrews; Victoria L. Blair; Richard L. Ferrero; Peter C. Junk; Ish Kumar","Making Bispirin: synthesis, structure and activity against Helicobacter pylori of bismuth(III) acetylsalicylate","Chem.Commun.","2013","49","","2870","","10.1039/c3cc40645h","","","0.71073","synchrotron","","0.0267","0.0256","","","0.0624","0.0633","","","","","","1.084","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109047","9.8832","0.0011","7.3687","0.0008","19.706","0.002","90","","100.199","0.002","90","","1412.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 F3 O3 -","- C15 H15 F3 O3 -","- C60 H60 F12 O12 -","4","1","","Philipp Selig; Aleksej Turockin; William Raven","Synthesis of highly substituted oxetanes via [2+2] cycloaddition reactions of allenoates catalyzed by a guanidine Lewis base","Chem.Commun.","2013","49","","2930","","10.1039/c3cc40855h","","","0.71073","MoKα","","0.0431","0.036","","","0.0841","0.0888","","","","","","1.032","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109048","12.4906","0.0015","12.063","0.0014","9.5353","0.0012","90","","103.731","0.002","90","","1395.7","0.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C13 H13 F3 O3 S -","- C13 H13 F3 O3 S -","- C52 H52 F12 O12 S4 -","4","1","","Philipp Selig; Aleksej Turockin; William Raven","Synthesis of highly substituted oxetanes via [2+2] cycloaddition reactions of allenoates catalyzed by a guanidine Lewis base","Chem.Commun.","2013","49","","2930","","10.1039/c3cc40855h","","","0.71073","MoKα","","0.0488","0.0433","","","0.1029","0.1088","","","","","","1.093","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109049","10.9588","0.0009","15.2867","0.0013","19.8423","0.0015","68.45","0.003","88.921","0.003","83.803","0.003","3072.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","HB035","","","- C56 H67 La N4 O7 -","- C56 H67 La N4 O7 -","- C112 H134 La2 N8 O14 -","2","1","","Heather L. Buckley; Mitchell R. Anstey; Daniel T. Gryko; John Arnold","Lanthanide corroles: a new class of macrocyclic lanthanide complexes","Chem.Commun.","2013","49","","3104","","10.1039/c3cc38806a","","","0.71073","MoKα","","0.0707","0.0477","","","0.1059","0.1159","","","","","","0.799","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109050","19.4694","0.001","13.2999","0.0007","21.7953","0.0012","90","","114.652","0.002","90","","5129.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HB041","","","- C60 H66 Gd N7 O -","- C60 H66 Gd N7 O -","- C240 H264 Gd4 N28 O4 -","4","1","","Heather L. Buckley; Mitchell R. Anstey; Daniel T. Gryko; John Arnold","Lanthanide corroles: a new class of macrocyclic lanthanide complexes","Chem.Commun.","2013","49","","3104","","10.1039/c3cc38806a","","","0.71073","MoKα","","0.1067","0.0587","","","0.1322","0.1628","","","","","","1.099","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109051","11.6378","0.0008","15.7546","0.001","15.8507","0.0011","95.09","0.003","101.785","0.003","100.993","0.003","2768","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","HB051","","","- C60 H77 N4 O9 Tb -","- C60 H77 N4 O9 Tb -","- C120 H154 N8 O18 Tb2 -","2","1","","Heather L. Buckley; Mitchell R. Anstey; Daniel T. Gryko; John Arnold","Lanthanide corroles: a new class of macrocyclic lanthanide complexes","Chem.Commun.","2013","49","","3104","","10.1039/c3cc38806a","","","0.71073","MoKα","","0.0759","0.0643","","","0.158","0.172","","","","","","1.072","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109052","10.5881","0.0012","11.7546","0.0014","13.4581","0.0016","73.849","0.002","73.626","0.002","78.953","0.002","1531.9","0.3","100","","100","","","","","","","","toluene","4","P -1","-P 1","2","","P-triphenyl-P'-2-pyridyl-diphenyl-carbodiphorphorane","","- C79 H66 N2 P4 -","- C79 H66 N2 P4 -","- C79 H66 N2 P4 -","1","0.5","","Manuel Alcarazo; Karin Radkowski; Gerlinde Mehler; Richard Goddard; Alois Furstner","Chiral heterobimetallic complexes of carbodiphosphoranes and phosphinidene_carbene adducts","Chem.Commun.","2013","49","","3140","","10.1039/c3cc40382c","","","0.71073","Mo-Kα","","0.0856","0.053","","","0.1341","0.1524","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109053","12.0585","0.0017","15.106","0.002","16.288","0.002","63.058","0.002","68.541","0.003","83.121","0.003","2457.8","0.6","100","","100","","","","","","","","dichloromethane, pentane","8","P -1","-P 1","2","","(diphenyl-2-pyridyl-phosphorane)(triphenylphosphorane)idene- triphenylphosphine-gold(i) hexafluoroantimonate dichloromethane solute","","- C55 H46 Au Cl2 F6 N P3 Sb -","- C55 H46 Au Cl2 F6 N P3 Sb -","- C110 H92 Au2 Cl4 F12 N2 P6 Sb2 -","2","1","","Manuel Alcarazo; Karin Radkowski; Gerlinde Mehler; Richard Goddard; Alois Furstner","Chiral heterobimetallic complexes of carbodiphosphoranes and phosphinidene_carbene adducts","Chem.Commun.","2013","49","","3140","","10.1039/c3cc40382c","","","0.71073","Mo-Kα","","0.0701","0.0535","","","0.1004","0.103","","","","","","1.835","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109054","31.703","0.008","11.136","0.003","38.62","0.011","90","","114.233","0.004","90","","12433","6","100","","100","","","","","","","","dichloromethane,diethylether,hexane","10","C 1 2/c 1","-C 2yc","15","","? RKI-RF-202-02","","- C59.26 H56.52 Au Cl3.52 Cu F6 N O P3 Sb -","- C59.258 H56.516 Au Cl3.516 Cu F6 N O P3 Sb -","- C474.064 H452.128 Au8 Cl28.128 Cu8 F48 N8 O8 P24 Sb8 -","8","1","","Manuel Alcarazo; Karin Radkowski; Gerlinde Mehler; Richard Goddard; Alois Furstner","Chiral heterobimetallic complexes of carbodiphosphoranes and phosphinidene_carbene adducts","Chem.Commun.","2013","49","","3140","","10.1039/c3cc40382c","","","0.71073","Mo-Kα","","0.0712","0.0516","","","0.1147","0.1203","","","","","","1.319","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109055","11.0964","0.0017","16.611","0.003","17.876","0.003","63.214","0.002","74.097","0.003","71.051","0.003","2750","0.8","100","","100","","","","","","","","dichlormethane/diethylether","8","P -1","-P 1","2","","Au-chloro-Au'-triphenylphosphine-Au,Au'-mu^2^-(diphenyl-2-pyridyl- phosphorane)-(triphenylphosphorane)-idenyl-digold hexafluoroantimonate dichloromethane solute","","- C56 H48 Au2 Cl5 F6 N P3 Sb -","- C56 H48 Au2 Cl5 F6 N P3 Sb -","- C112 H96 Au4 Cl10 F12 N2 P6 Sb2 -","2","1","","Manuel Alcarazo; Karin Radkowski; Gerlinde Mehler; Richard Goddard; Alois Furstner","Chiral heterobimetallic complexes of carbodiphosphoranes and phosphinidene_carbene adducts","Chem.Commun.","2013","49","","3140","","10.1039/c3cc40382c","","","0.71073","Mo-Kα","","0.0866","0.0506","","","0.1244","0.1392","","","","","","1.27","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109056","12.2004","0.0015","18.01","0.002","17.84","0.002","90","","96.719","0.002","90","","3893","0.8","100","","100","","","","","","","","dichloromethane,diethylether","7","P 1 21/n 1","-P 2yn","14","","(mu-2-(2,3-bis(diisopropylamino)cycloprop-1(3)-en-2-ylium-1-yl- (2,4,6-triisopropyl-phenyl)-phosphanide)-dichloro-di-gold diethylether solute","","- C34 H61 Au2 Cl2 N2 O P -","- C34 H61 Au2 Cl2 N2 O P -","- C136 H244 Au8 Cl8 N8 O4 P4 -","4","1","","Manuel Alcarazo; Karin Radkowski; Gerlinde Mehler; Richard Goddard; Alois Furstner","Chiral heterobimetallic complexes of carbodiphosphoranes and phosphinidene_carbene adducts","Chem.Commun.","2013","49","","3140","","10.1039/c3cc40382c","","","0.71073","Mo-Kα","","0.0191","0.0148","","","0.0336","0.0351","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109057","24.58","0.003","26.348","0.004","15.25","0.002","90","","126.81","0.002","90","","7907.3","1.9","100","","100","","","","","","","","dichloromethane, ether","7","C 1 2/c 1","-C 2yc","15","","chloro-(1-(cyclooctadienyl-rhodium-chloride)(2,4,6-triisopropyl-phenyl)- phosphino-2,3-bis(diisopropylamino)cyclopropenium-P)-gold","","- C38 H63 Au Cl2 N2 P Rh -","- C38 H63 Au Cl2 N2 P Rh -","- C304 H504 Au8 Cl16 N16 P8 Rh8 -","8","1","","Manuel Alcarazo; Karin Radkowski; Gerlinde Mehler; Richard Goddard; Alois Furstner","Chiral heterobimetallic complexes of carbodiphosphoranes and phosphinidene_carbene adducts","Chem.Commun.","2013","49","","3140","","10.1039/c3cc40382c","","","0.71073","Mo-Kα","","0.0277","0.02","","","0.0467","0.0491","","","","","","1.228","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109058","12.337","0.003","3.8023","0.001","15.603","0.004","90","","99.168","0.004","90","","722.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 Cl N O2 -","- C8 H4 Cl N O2 -","- C32 H16 Cl4 N4 O8 -","4","1","","Ravi Kiran Chinnagolla; Sandeep Pimparkar; Masilamani Jeganmohan","Ruthenium-catalyzed intramolecular selective halogenation of O-methylbenzohydroximoyl halides: a new route to halogenated aromatic nitriles","Chem.Commun.","2013","49","","3146","","10.1039/c3cc41124a","","","0.71073","MoKα","","0.0275","0.0262","","","0.0719","0.0729","","","","","","1.075","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109059","7.203","0.001","9.5004","0.0012","12.9717","0.0016","85.645","0.003","89.563","0.003","70.248","0.003","832.88","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Br N O2 -","- C8 H6 Br N O2 -","- C32 H24 Br4 N4 O8 -","4","2","","Ravi Kiran Chinnagolla; Sandeep Pimparkar; Masilamani Jeganmohan","Ruthenium-catalyzed intramolecular selective halogenation of O-methylbenzohydroximoyl halides: a new route to halogenated aromatic nitriles","Chem.Commun.","2013","49","","3146","","10.1039/c3cc41124a","","","0.71073","MoKα","","0.0325","0.0255","","","0.0592","0.0613","","","","","","1.043","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109060","11.4651","0.0009","21.2583","0.0018","15.0509","0.0013","90","","94.064","0.004","90","","3659.1","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","DiOBuDMF","","","- C41 H47 N O9 -","- C41 H47 N O9 -","- C164 H188 N4 O36 -","4","0.5","","Piotr P. Cholewa; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno","Directed assembly via selectively positioned host functionality","Chem.Commun.","2013","49","","3203","","10.1039/c3cc40564h","","","0.71073","MoKα","","0.0763","0.0509","","","0.1301","0.146","","","","","","1.039","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109061","10.9671","0.0005","14.2215","0.0006","18.5034","0.0008","110.695","0.002","90.387","0.002","106.035","0.002","2577.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PCH163","","","- C56 H62 Cd N4 O11 -","- C53 H53 Cd N3 O10 -","- C106 H106 Cd2 N6 O20 -","2","1","","Piotr P. Cholewa; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno","Directed assembly via selectively positioned host functionality","Chem.Commun.","2013","49","","3203","","10.1039/c3cc40564h","","","0.7749","Synchrotron","","0.0899","0.0655","","","0.185","0.198","","","","","","1.275","","","","has coordinates,has disorder","180194","2020-10-21","18:00:00",""
"7109062","19.2266","0.001","24.9668","0.0014","20.7082","0.0012","90","","98.402","0.004","90","","9833.8","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PCH244","","","- C107 H118 Cd2 N6 O23 -","- C107 H109 Cd2 N6 O23 -","- C428 H436 Cd8 N24 O92 -","4","1","","Piotr P. Cholewa; Christine M. Beavers; Simon J. Teat; Scott J. Dalgarno","Directed assembly via selectively positioned host functionality","Chem.Commun.","2013","49","","3203","","10.1039/c3cc40564h","","","0.7749","Synchrotron","","0.0956","0.0671","","","0.1879","0.2121","","","","","","1.034","","","","has coordinates,has disorder","180194","2020-10-21","18:00:00",""
"7109063","30.0639","0.0018","6.1724","0.0003","21.5055","0.0016","90","","104.784","0.006","90","","3858.6","0.4","290.3","0.2","290.3","0.2","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C24 H22 Cl N -","- C24 H22 Cl N -","- C192 H176 Cl8 N8 -","8","2","","Ping-Xin Zhou; Jian-Yi Luo; Lian-Biao Zhao; Yu-Ying Ye; Yong-Min Liang","Palladium-catalyzed insertion of N-tosylhydrazones for the synthesis of isoindolines","Chem.Commun.","2013","49","","3254","","10.1039/c3cc40577j","","","0.7107","MoKα","","0.0971","0.0587","","","0.1062","0.1294","","","","","","1.07","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7109064","11.149","0.005","19.6","0.005","25.468","0.005","90","0.005","90","0.005","90","0.005","5565","3","100","2","100","2","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C31 H29 Br Cl2 N2 O2 -","- C31 H29 Br Cl2 N2 O2 -","- C248 H232 Br8 Cl16 N16 O16 -","8","2","","Dattatraya H. Dethe; Raghavender Boda; Saikat Das","Cu(OTf)2 catalysed [6+2] cycloaddition reaction for the synthesis of highly substituted pyrrolo[1,2-a]indoles: rapid","Chem.Commun.","2013","49","","3260","","10.1039/c3cc40617b","","","0.71069","MoKα","","0.128","0.0747","","","0.1845","0.23","","","","","","1.061","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109065","11.4304","0.0007","12.7197","0.0007","16.8479","0.0008","90","","96.853","0.005","90","","2432","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O2 -","- C30 H28 N2 O2 -","- C120 H112 N8 O8 -","4","1","","Dattatraya H. Dethe; Raghavender Boda; Saikat Das","Cu(OTf)2 catalysed [6+2] cycloaddition reaction for the synthesis of highly substituted pyrrolo[1,2-a]indoles: rapid","Chem.Commun.","2013","49","","3260","","10.1039/c3cc40617b","","","0.71073","MoKα","","0.1019","0.0592","","","0.1429","0.1745","","","","","","1.049","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109066","25.543","0.002","25.543","0.002","25.543","0.002","90","","90","","90","","16665","2","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 H0 N0 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Corinne A. Allen; Jake A. Boissonnault; Jordi Cirera; Ryan Gulland; Francesco Paesani; Seth M. Cohen","Chemically crosslinked isoreticular metal-organic frameworks","Chem.Commun.","2013","49","","3200","","10.1039/c3cc40635k","","","0.71073","MoKα","","0.1108","0.09","","","0.2624","0.2908","","","","","","1.132","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109067","25.654","0.019","25.654","0.019","25.654","0.019","90","","90","","90","","16884","2","250","2","250","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 H0 N0 O13 Zn4 -","- C24 O13 Zn4 -","- C192 O104 Zn32 -","8","0.0416667","","Corinne A. Allen; Jake A. Boissonnault; Jordi Cirera; Ryan Gulland; Francesco Paesani; Seth M. Cohen","Chemically crosslinked isoreticular metal-organic frameworks","Chem.Commun.","2013","49","","3200","","10.1039/c3cc40635k","","","0.71073","MoKα","","0.1454","0.1074","","","0.2889","0.3421","","","","","","1.107","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109068","25.5827","0.0007","25.5827","0.0007","25.5827","0.0007","90","","90","","90","","16743.2","0.8","200","2","200","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 H9 N0 O13 Zn4 -","- C24 H9 O13 Zn4 -","- C192 H72 O104 Zn32 -","8","0.0416667","","Corinne A. Allen; Jake A. Boissonnault; Jordi Cirera; Ryan Gulland; Francesco Paesani; Seth M. Cohen","Chemically crosslinked isoreticular metal-organic frameworks","Chem.Commun.","2013","49","","3200","","10.1039/c3cc40635k","","","1.54178","CuKα","","0.1188","0.1085","","","0.3319","0.342","","","","","","1.329","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109069","25.6341","0.0006","25.6341","0.0006","25.6341","0.0006","90","","90","","90","","16844.3","0.7","250","2","250","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C24 H6 N0 O13 Zn4 -","- C24 H6 O13 Zn4 -","- C192 H48 O104 Zn32 -","8","0.0833333","","Corinne A. Allen; Jake A. Boissonnault; Jordi Cirera; Ryan Gulland; Francesco Paesani; Seth M. Cohen","Chemically crosslinked isoreticular metal-organic frameworks","Chem.Commun.","2013","49","","3200","","10.1039/c3cc40635k","","","1.54178","CuKα","","0.1087","0.0995","","","0.2994","0.3213","","","","","","1.225","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109070","25.741","0.003","25.741","0.003","25.741","0.003","90","","90","","90","","17056","3","250","2","250","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","","","","- C24 H6 N0 O13 Zn4 -","- C24 H6 O13 Zn4 -","- C192 H48 O104 Zn32 -","8","0.0833333","","Corinne A. Allen; Jake A. Boissonnault; Jordi Cirera; Ryan Gulland; Francesco Paesani; Seth M. Cohen","Chemically crosslinked isoreticular metal-organic frameworks","Chem.Commun.","2013","49","","3200","","10.1039/c3cc40635k","","","0.71073","MoKα","","0.0769","0.0668","","","0.1999","0.2063","","","","","","1.1","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109073","9.3412","0.0007","17.476","0.0013","17.6846","0.0014","90","","91.04","0.002","90","","2886.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30.5 H24.25 Ir N7.75 O3 -","- C30.5 H22 Ir N7.75 O3 -","- C122 H88 Ir4 N31 O12 -","4","1","","Yuyang Zhou; Junli Jia; Wanfei Li; Hao Fei; Ming Zhou","Luminescent biscarbene iridium(III) complexes as living cell imaging reagents","Chem.Commun.","2013","49","","3230","","10.1039/c3cc40845k","","","0.7107","MoKα","","0.0389","0.0342","","","0.0776","0.0798","","","","","","1.121","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109074","17.1797","0.0015","6.1625","0.0005","14.895","0.0012","90","","90","","90","","1576.9","0.2","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C21 H16 O2 -","- C21 H16 O2 -","- C84 H64 O8 -","4","1","","Feijun Wang; Feng Chen; Mingliang Qu; Teng Li; Yunlong Liu; Min Shi","A Pd(II)-catalyzed asymmetric approach toward chiral [3.3.1]-bicyclic ketals using 2-hydroxyphenylboronic acid as a pro-bis(nucleophile)","Chem.Commun.","2013","49","","3360","","10.1039/c3cc00295k","","","0.71073","MoKα","","0.0471","0.0364","","","0.1011","0.1082","","","","","","0.98","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109075","5.9409","0.0006","10.8264","0.0012","25.9","0.003","90","","90","","90","","1665.9","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Br O2 -","- C21 H15 Br O2 -","- C84 H60 Br4 O8 -","4","1","","Feijun Wang; Feng Chen; Mingliang Qu; Teng Li; Yunlong Liu; Min Shi","A Pd(II)-catalyzed asymmetric approach toward chiral [3.3.1]-bicyclic ketals using 2-hydroxyphenylboronic acid as a pro-bis(nucleophile)","Chem.Commun.","2013","49","","3360","","10.1039/c3cc00295k","","","0.71073","MoKα","","0.0517","0.0422","","","0.0951","0.0994","","","","","","1.009","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109076","8.6927","0.0009","15.1581","0.0015","8.4584","0.0008","90","","95.606","0.002","90","","1109.19","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N O6 S -","- C9 H11 N O6 S -","- C36 H44 N4 O24 S4 -","4","1","","Stefan Mommer; Kevin Lamberts; Helmut Keul; Martin Moller","A novel multifunctional coupler: the concept of coupling and proof of principle","Chem.Commun.","2013","49","","3288","","10.1039/c3cc40369f","","","0.71073","MoKα","","0.0441","0.0347","","","0.0879","0.0944","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109077","12.8956","0.0005","11.8913","0.0004","14.2756","0.0005","90","","98.501","0.002","90","","2165.05","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(Chlorido)(3-(3-methylbut-2-en-1-yl)-1,4-dioxo-kappaO1-1,4-dihydronaphthalen-2-olato-kappaO2) (p-cymene)ruthenium(II)]","","- C25 H27 Cl O3 Ru -","- C25 H27 Cl O3 Ru -","- C100 H108 Cl4 O12 Ru4 -","4","1","","Wolfgang Kandioller; Evelyn Balsano; Samuel M. Meier; Ute Jungwirth; Simone Goschl; Alexander Roller; Michael A. Jakupec; Walter Berger; Bernhard K. Keppler; Christian G. Hartinger","Organometallic anticancer complexes of lapachol: metal centre-dependent formation of reactive oxygen species and correlation with cytotoxicity","Chem.Commun.","2013","49","","3348","","10.1039/c3cc40432c","","","0.71073","MoKα","","0.0282","0.0225","","","0.0557","0.0595","","","","","","1","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109078","13.4764","0.0004","8.412","0.0002","21.0225","0.0005","90","","107.986","0.001","90","","2266.72","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[(Chlorido)(3-(3-methylbut-2-en-1-yl)-1,4-dioxo-kappaO1-1,4-dihydronaphthalen-2-olato-kappaO2) (p-cymene)osmium(II)]","","- C25 H27 Cl O3 Os -","- C25 H27 Cl O3 Os -","- C100 H108 Cl4 O12 Os4 -","4","1","","Wolfgang Kandioller; Evelyn Balsano; Samuel M. Meier; Ute Jungwirth; Simone Goschl; Alexander Roller; Michael A. Jakupec; Walter Berger; Bernhard K. Keppler; Christian G. Hartinger","Organometallic anticancer complexes of lapachol: metal centre-dependent formation of reactive oxygen species and correlation with cytotoxicity","Chem.Commun.","2013","49","","3348","","10.1039/c3cc40432c","","","0.71073","MoKα","","0.038","0.0247","","","0.0482","0.0507","","","","","","0.997","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109079","6.7242","0.0003","15.1813","0.0007","19.2667","0.001","90","","90","","90","","1966.79","0.16","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 N O3 -","- C20 H35 N O3 -","- C80 H140 N4 O12 -","4","1","","Satish Chandra Philkhana; B. Seetharamsingh; Yuvraj B. Dangat; Kumar Vanka; D. Srinivasa Reddy","Synthesis of palmyrolide A and its cis-isomer and mechanistic insight into trans-cis isomerisation of the enamide macrocycle","Chem.Commun.","2013","49","","3342","","10.1039/c3cc40541a","","","0.71073","MoKα","","0.0379","0.0337","","","0.0761","0.0784","","","","","","1.049","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109081","12.036","0.002","14.203","0.003","7.8232","0.0016","90","","91.4","0.03","90","","1337","0.5","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H15 N O S -","- C16 H15 N O S -","- C64 H60 N4 O4 S4 -","4","1","","Huawen Huang; Xiaochen Ji; Wanqing Wu; Huanfeng Jiang","A cascade approach to fused indolizinones through Lewis acid-copper(I) relay catalysis","Chem.Commun.","2013","49","","3351","","10.1039/c3cc40643a","","","0.71073","MoKα","","0.0371","0.0324","","","0.0752","0.0813","","","","","","1.113","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7109082","9.941","0.004","7.947","0.003","12.485","0.004","90","","94.403","0.004","90","","983.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C40 H50 N2 O12 -","2","1","","Jinlong Zhang; Xihong Liu; Xiaojuan Ma; Rui Wang","Direct asymmetric aldol addition-isomerization of alpha,beta-unsaturated gamma-butyrolactam with aryl alpha-ketoesters: synthesis of MBH-type products","Chem.Commun.","2013","49","","3300","","10.1039/c3cc40717a","","","0.71073","MoKα","","0.0372","0.0326","","","0.0982","0.107","","","","","","1.031","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109083","10.393","0.0004","10.4002","0.0004","15.2797","0.0007","109.735","0.004","90.674","0.003","97.278","0.003","1539.41","0.12","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H36 Cl2 N2 Pt -","- C35 H36 Cl2 N2 Pt -","- C70 H72 Cl4 N4 Pt2 -","2","1","","Bingran Yu; Shuwen Guo; Lipeng He; Weifeng Bu","Synthesis and characterization of a luminescence metallosupramolecular hyperbranched polymer","Chem.Commun.","2013","49","","3333","","10.1039/c3cc41069b","","","0.7107","MoKα","","0.0302","0.0277","","","0.0643","0.0666","","","","","","1.028","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109084","10.5062","0.0008","10.8025","0.0005","14.7466","0.0007","78.098","0.004","79.17","0.005","82.432","0.005","1600.95","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H34 N2 Pt -","- C34 H34 N2 Pt -","- C68 H68 N4 Pt2 -","2","1","","Bingran Yu; Shuwen Guo; Lipeng He; Weifeng Bu","Synthesis and characterization of a luminescence metallosupramolecular hyperbranched polymer","Chem.Commun.","2013","49","","3333","","10.1039/c3cc41069b","","","0.71073","MoKα","","0.0452","0.0375","","","0.0802","0.0845","","","","","","0.976","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109085","7.323","0.0005","21.4026","0.0017","22.3514","0.0017","90","","90","","90","","3503.2","0.5","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H- imidazole-3-oxide-","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C21 H19 N2 O4 -","- C21 H19 N2 O4 -","- C168 H152 N16 O32 -","8","1","","Handan Akpinar; John A. Schlueter; Paul M. Lahti","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl: polymorphism in a conjugated anthraquinone-substituted nitronylnitroxide","Chem.Commun.","2013","49","","3345","","10.1039/c3cc41075g","","x-ray","0.71073","MoKα","","0.069","0.0436","","","0.1126","0.1309","","","","","","1.025","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109086","7.2592","0.0005","21.3199","0.0014","22.2954","0.0015","90","","90","","90","","3450.6","0.4","199","2","199","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H- imidazole-3-oxide-","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C21 H19 N2 O4 -","- C21 H19 N2 O4 -","- C168 H152 N16 O32 -","8","1","","Handan Akpinar; John A. Schlueter; Paul M. Lahti","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl: polymorphism in a conjugated anthraquinone-substituted nitronylnitroxide","Chem.Commun.","2013","49","","3345","","10.1039/c3cc41075g","","x-ray","0.71073","MoKα","","0.0673","0.0431","","","0.1099","0.1258","","","","","","1.016","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109087","7.2081","0.0004","21.2504","0.0013","22.2459","0.0013","90","","90","","90","","3407.5","0.3","99","2","99","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H- imidazole-3-oxide-","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C21 H19 N2 O4 -","- C21 H19 N2 O4 -","- C168 H152 N16 O32 -","8","1","","Handan Akpinar; John A. Schlueter; Paul M. Lahti","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl: polymorphism in a conjugated anthraquinone-substituted nitronylnitroxide","Chem.Commun.","2013","49","","3345","","10.1039/c3cc41075g","","x-ray","0.71073","MoKα","","0.0665","0.043","","","0.1086","0.1232","","","","","","1.031","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109088","7.1778","0.0004","21.207","0.0012","22.1861","0.0012","90","","90","","90","","3377.2","0.3","10","2","10","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H- imidazole-3-oxide-","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C21 H19 N2 O4 -","- C21 H19 N2 O4 -","- C168 H152 N16 O32 -","8","1","","Handan Akpinar; John A. Schlueter; Paul M. Lahti","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl: polymorphism in a conjugated anthraquinone-substituted nitronylnitroxide","Chem.Commun.","2013","49","","3345","","10.1039/c3cc41075g","","x-ray","0.71073","MoKα","","0.0771","0.0483","","","0.1118","0.1275","","","","","","1.031","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109089","8.2851","0.0017","18.895","0.004","11.832","0.002","90","","107.7","0.03","90","","1764.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H- imidazole-3-oxide-1-oxyl","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C21 H19 N2 O4 -","- C21 H19 N2 O4 -","- C84 H76 N8 O16 -","4","1","","Handan Akpinar; John A. Schlueter; Paul M. Lahti","2-(9,10-Anthraquinon-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl: polymorphism in a conjugated anthraquinone-substituted nitronylnitroxide","Chem.Commun.","2013","49","","3345","","10.1039/c3cc41075g","","","0.71073","MoKα","","0.074","0.0533","","","0.1644","0.1951","","","","","","0.822","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109090","26.8733","0.0017","7.2742","0.0006","19.5342","0.0014","90","","106.28","0.002","90","","3665.5","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H24 B9 P -","- C15 H24 B9 P -","- C120 H192 B72 P8 -","8","1","","Joseph A. Ioppolo; Mohan Bhadbhade; Mark A. Fox; Louis M. Rendina","Remarkable cage deboronation and rearrangement of a closo-1,12-dicarbadodecaborane to form a neutral nido-7,9-dicarbaundecaborane","Chem.Commun.","2013","49","","3312","","10.1039/c3cc41173g","","","0.71073","MoKα","","0.0494","0.0388","","","0.0979","0.1049","","","","","","1.03","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109091","15.2083","0.0005","11.603","0.0004","17.4061","0.0006","90","","93.844","0.002","90","","3064.6","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29.5 H35 B9 O P2 -","- C29.5 H35 B9 O0.5 P2 -","- C118 H140 B36 O2 P8 -","4","1","","Joseph A. Ioppolo; Mohan Bhadbhade; Mark A. Fox; Louis M. Rendina","Remarkable cage deboronation and rearrangement of a closo-1,12-dicarbadodecaborane to form a neutral nido-7,9-dicarbaundecaborane","Chem.Commun.","2013","49","","3312","","10.1039/c3cc41173g","","","0.71073","MoKα","","0.0723","0.0462","","","0.1045","0.1181","","","","","","1.003","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109092","12.315","0.0003","18.4454","0.0006","21.4837","0.0005","113.8","0.003","91.1767","0.0019","100.858","0.002","4359.8","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","[Yb(NacNac)(THF)2Fp]2","","- C88 H124 Fe2 N4 O8 Yb2 -","- C88 H124 Fe2 N4 O8 Yb2 -","- C176 H248 Fe4 N8 O16 Yb4 -","2","1","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Synthesis and reactions of beta-diketiminate-supported complexes with Mg-Fe or Yb-Fe bonds","Chem.Commun.","2013","49","","3315","","10.1039/c3cc41360h","","","1.54184","CuKα","","0.04","0.0324","","0.0225","0.0206","0.0202","","","","","","1.0974","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109093","10.4327","0.0001","26.1989","0.0002","13.7996","0.0001","90","","100.244","0.001","90","","3711.65","0.05","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Mg(NacNac)(Fp)(THF)]","","- C40 H54 Fe Mg N2 O3 -","- C40 H54 Fe Mg N2 O3 -","- C160 H216 Fe4 Mg4 N8 O12 -","4","1","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Synthesis and reactions of beta-diketiminate-supported complexes with Mg-Fe or Yb-Fe bonds","Chem.Commun.","2013","49","","3315","","10.1039/c3cc41360h","","","1.5418","CuKα","","0.0397","0.0354","","0.0383","0.0373","0.0371","","","","","","1.0603","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109094","11.547","0.0003","12.4516","0.0003","17.7694","0.0006","73.007","0.002","86.687","0.002","63.809","0.003","2184.9","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","","[{Ca(NacNac)(THF)}2{Cp4Fe5(CO)8}]","","- C94 H118 Ca2 Fe5 N4 O10 -","- C94 H118 Ca2 Fe5 N4 O10 -","- C94 H118 Ca2 Fe5 N4 O10 -","1","0.5","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Synthesis and reactions of beta-diketiminate-supported complexes with Mg-Fe or Yb-Fe bonds","Chem.Commun.","2013","49","","3315","","10.1039/c3cc41360h","","","1.5418","CuKα","","0.034","0.0309","","0.0259","0.0254","0.0253","","","","","","1.1526","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109095","13.3848","0.0003","17.1457","0.0003","24.9082","0.0005","98.5709","0.0016","94.0808","0.0016","106.447","0.0017","5382.2","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","[{Yb(NacNac)(Fp)(THF)}2(u-YbFp2)].1.5(C5H12)","","- C101.5 H136 Fe4 N4 O10 Yb3 -","- C101.5 H136 Fe4 N4 O10 Yb3 -","- C203 H272 Fe8 N8 O20 Yb6 -","2","1","","Matthew P. Blake; Nikolas Kaltsoyannis; Philip Mountford","Synthesis and reactions of beta-diketiminate-supported complexes with Mg-Fe or Yb-Fe bonds","Chem.Commun.","2013","49","","3315","","10.1039/c3cc41360h","","","1.54184","CuKα","","0.0434","0.0385","","0.0488","0.0448","0.044","","","","","","1.1024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109096","27.3418","0.0006","32.3342","0.0007","30.4098","0.0006","90","","90","","90","","26884.6","1","100","2","100","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","","","","- C100.5 H173 Cr7 F8 N Ni O33.5 S -","- C100.5 H173 Cr7.04 F8 N Ni1.04 O33.5 S -","- C804 H1384 Cr56.32 F64 N8 Ni8.32 O268 S8 -","8","1","","Harapriya Rath; Grigore A. Timco; Valdis Corradini; Alberto Ghirri; Umberto del Pennino; Antonio Fernandez; Robin G. Pritchard; Christopher A. Muryn; Marco Affronte; Richard E. P. Winpenny","Studies of hybrid organic-inorganic [2] and [3]rotaxanes bound to Au surfaces","Chem.Commun.","2013","49","","3404","","10.1039/c3cc38699f","","x-ray","0.71073","MoKα","","0.1143","0.0707","","","0.172","0.199","","","","","","1.157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109097","14.5209","0.0003","17.2203","0.0003","27.214","0.0005","90","","90","","90","","6805","0.2","100","2","100","2","","","","","","","synthesis as described","8","P n n 2","P 2 -2n","34","","","","- C96 H164 Cr7 F8 N Ni O32 S2 -","- C96 H164 Cr7.02 F8 N Ni1.04 O32 S2 -","- C192 H328 Cr14.04 F16 N2 Ni2.08 O64 S4 -","2","0.5","","Harapriya Rath; Grigore A. Timco; Valdis Corradini; Alberto Ghirri; Umberto del Pennino; Antonio Fernandez; Robin G. Pritchard; Christopher A. Muryn; Marco Affronte; Richard E. P. Winpenny","Studies of hybrid organic-inorganic [2] and [3]rotaxanes bound to Au surfaces","Chem.Commun.","2013","49","","3404","","10.1039/c3cc38699f","","x-ray","0.71073","MoKα","","0.1145","0.0854","","","0.2196","0.2389","","","","","","1.147","","","","has coordinates,has disorder","180194","2020-10-21","18:00:00",""
"7109098","32.4921","0.0004","30.3746","0.0003","27.3877","0.0003","90","","90","","90","","27029.9","0.5","100","2","100","2","","","","","","","synthesis as described","8","P b c a","-P 2ac 2ab","61","","","","- C95 H163 Cr7 F8 N2 Ni O34 S -","- C95 H163 Cr7 F8 N2 Ni O34 S -","- C760 H1304 Cr56 F64 N16 Ni8 O272 S8 -","8","1","","Harapriya Rath; Grigore A. Timco; Valdis Corradini; Alberto Ghirri; Umberto del Pennino; Antonio Fernandez; Robin G. Pritchard; Christopher A. Muryn; Marco Affronte; Richard E. P. Winpenny","Studies of hybrid organic-inorganic [2] and [3]rotaxanes bound to Au surfaces","Chem.Commun.","2013","49","","3404","","10.1039/c3cc38699f","","x-ray","0.71073","MoKα","","0.1292","0.0857","","","0.2313","0.257","","","","","","1.217","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109099","30.878","0.0014","17.2478","0.0008","54.046","0.003","90","","106.154","0.002","90","","27647","2","100","2","100","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C188 H334 Cr14 F16 N3 Ni2 O64 S2 -","- C188 H334 Cr14.08 F16 N3 Ni2.08 O64 S2 -","- C752 H1336 Cr56.32 F64 N12 Ni8.32 O256 S8 -","4","1","","Harapriya Rath; Grigore A. Timco; Valdis Corradini; Alberto Ghirri; Umberto del Pennino; Antonio Fernandez; Robin G. Pritchard; Christopher A. Muryn; Marco Affronte; Richard E. P. Winpenny","Studies of hybrid organic-inorganic [2] and [3]rotaxanes bound to Au surfaces","Chem.Commun.","2013","49","","3404","","10.1039/c3cc38699f","","x-ray","0.71073","MoKα","","0.2211","0.1187","","","0.2645","0.295","","","","","","1.277","","","","has coordinates","180194","2020-10-21","18:00:00",""
"7109100","64.167","0.006","17.1756","0.0009","31.0638","0.0019","90","","113.078","0.007","90","","31496","4","100","2","100","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C119 H197 Cr7 Cu F8 N2 Ni O36 S -","- C119 H197 Cr7.04 Cu F8 N2 Ni1.04 O36 S -","- C952 H1576 Cr56.32 Cu8 F64 N16 Ni8.32 O288 S8 -","8","1","","Harapriya Rath; Grigore A. Timco; Valdis Corradini; Alberto Ghirri; Umberto del Pennino; Antonio Fernandez; Robin G. Pritchard; Christopher A. Muryn; Marco Affronte; Richard E. P. Winpenny","Studies of hybrid organic-inorganic [2] and [3]rotaxanes bound to Au surfaces","Chem.Commun.","2013","49","","3404","","10.1039/c3cc38699f","","","1.54178","CuKα","","0.2084","0.1467","","","0.4026","0.439","","","","","","1.388","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109101","30.2347","0.0012","27.492","0.001","32.197","0.0012","90","","90","","90","","26762.5","1.8","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C102 H176 Cr7 F8 N Ni O34 S -","- C102 H176 Cr7.04 F8 N Ni1.04 O34 S -","- C816 H1408 Cr56.32 F64 N8 Ni8.32 O272 S8 -","8","1","","Harapriya Rath; Grigore A. Timco; Valdis Corradini; Alberto Ghirri; Umberto del Pennino; Antonio Fernandez; Robin G. Pritchard; Christopher A. Muryn; Marco Affronte; Richard E. P. Winpenny","Studies of hybrid organic-inorganic [2] and [3]rotaxanes bound to Au surfaces","Chem.Commun.","2013","49","","3404","","10.1039/c3cc38699f","","","1.54178","CuKα","","0.1562","0.0972","","","0.215","0.2489","","","","","","1.011","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109102","37.8124","0.0001","37.8124","0.0001","37.8124","0.0001","90","","90","","90","","54063.3","0.2","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C16.25 H26.67 Cd N7.04 O2.6 -","- C10 H10 Cd N6 -","- C960 H960 Cd96 N576 -","96","1","","Yuan Wu; Xiao-Ping Zhou; Ju-Rong Yang; Dan Li","Gyroidal metal-organic frameworks by solvothermal subcomponent self-assembly","Chem.Commun.","2013","49","","3413","","10.1039/c3cc39287b","","","1.54178","CuKα","","0.0701","0.0444","","","0.1119","0.1246","","","","","","1.071","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109103","8.968","0.0003","9.0543","0.0003","16.5808","0.0005","90","","97.998","0.003","90","","1333.25","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cu N7 O3 -","- C10 H11 Cu N7 O3 -","- C40 H44 Cu4 N28 O12 -","4","1","","Yuan Wu; Xiao-Ping Zhou; Ju-Rong Yang; Dan Li","Gyroidal metal-organic frameworks by solvothermal subcomponent self-assembly","Chem.Commun.","2013","49","","3413","","10.1039/c3cc39287b","","","0.71073","MoKα","","0.0447","0.0322","","","0.0724","0.0811","","","","","","1.038","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109104","6.39013","0.00018","16.4094","0.0005","20.8853","0.0006","90","","90","","90","","2189.99","0.11","292.19","0.1","292.19","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Cl N2 O5 -","- C23 H21 Cl N2 O5 -","- C92 H84 Cl4 N8 O20 -","4","1","","Long Wang; Xiao-Mei Shi; Wei-Ping Dong; Li-Ping Zhu; Rui Wang","Efficient construction of highly functionalized spiro[gamma-butyrolactone-pyrrolidin-3,3'-oxindole] tricyclic skeletons via an organocatalytic 1,3-dipolar cycloaddition","Chem.Commun.","2013","49","","3458","","10.1039/c3cc40669e","","","0.7107","MoKα","","0.075","0.0563","","","0.1358","0.1508","","","","","","1.065","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109105","15.6592","0.0014","25.175","0.002","10.2383","0.0009","90","","90","","90","","4036.1","0.6","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C44 H94 Cl Gd N8 O34 V12 -","- C41.6 H74.542 Cl Gd N6.2 O34 V12 -","- C83.2 H149.084 Cl2 Gd2 N12.4 O68 V24 -","2","0.5","","Jamie M. Cameron; Graham N. Newton; Christoph Busche; De-Liang Long; Hiroki Oshio; Leroy Cronin","Synthesis and characterisation of a lanthanide-capped dodecavanadate cage","Chem.Commun.","2013","49","","3395","","10.1039/c3cc40912k","","","0.71073","MoKα","","0.0468","0.0391","","","0.0977","0.1011","","","","","","1.037","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109106","17.0365","0.0003","15.9084","0.0003","19.5224","0.0003","90","","90","","90","","5291.03","0.16","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H35 F N P Pt -","- C30 H35 F N P Pt -","- C240 H280 F8 N8 P8 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes","Chem.Commun.","2013","49","","3446","","10.1039/c3cc41079j","","","0.71073","MoKα","","0.0805","0.0361","","","0.0722","0.085","","","","","","1.019","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109107","17.6094","0.0002","16.044","0.0002","19.7637","0.0002","90","","90","","90","","5583.74","0.11","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H31 F5 N P Pt -","- C30 H31 F5 N P Pt -","- C240 H248 F40 N8 P8 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes","Chem.Commun.","2013","49","","3446","","10.1039/c3cc41079j","","","0.71073","MoKα","","0.0553","0.0294","","","0.07","0.0807","","","","","","1.032","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109108","17.1768","0.0003","7.4457","0.0001","21.2471","0.0005","90","","106.098","0.0008","90","","2610.81","0.08","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 F N P Pt -","- C27 H31 F N P Pt -","- C108 H124 F4 N4 P4 Pt4 -","4","1","","Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes","Chem.Commun.","2013","49","","3446","","10.1039/c3cc41079j","","","0.71073","MoKα","","0.0612","0.0391","","","0.1","0.108","","","","","","0.959","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109109","10.1311","0.0003","11.4959","0.0004","15.7724","0.0005","75.0835","0.0016","79.7841","0.0018","86.3353","0.0011","1746.59","0.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C34.19 H41.46 F4 N2.7 O0.79 P Pt -","- C34.188 H41.461 F4 N2.701 O0.786 P Pt -","- C68.376 H82.922 F8 N5.402 O1.572 P2 Pt2 -","2","1","","Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes","Chem.Commun.","2013","49","","3446","","10.1039/c3cc41079j","","","0.71073","MoKα","","0.0751","0.0524","","","0.1187","0.1301","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109110","16.4339","0.0002","8.3534","0.0001","17.3846","0.0003","90","","97.5476","0.0006","90","","2365.86","0.06","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 F2 N P Pt -","- C27 H30 F2 N P Pt -","- C108 H120 F8 N4 P4 Pt4 -","4","1","","Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes","Chem.Commun.","2013","49","","3446","","10.1039/c3cc41079j","","","0.71073","MoKα","","0.0397","0.0303","","","0.0713","0.0763","","","","","","1.048","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109111","18.0579","0.0004","7.3176","0.0002","19.7918","0.0005","90","","112.254","0.0009","90","","2420.5","0.11","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H34 N O P Pt -","- C28 H34 N O P Pt -","- C112 H136 N4 O4 P4 Pt4 -","4","1","","Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes","Chem.Commun.","2013","49","","3446","","10.1039/c3cc41079j","","","0.71073","MoKα","","0.0758","0.0429","","","0.0902","0.1019","","","","","","0.984","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109112","11.0997","0.0008","12.1213","0.0007","19.413","0.0012","90","","90","","90","","2611.9","0.3","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N P Pt -","- C31 H36 N P Pt -","- C124 H144 N4 P4 Pt4 -","4","1","","Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes","Chem.Commun.","2013","49","","3446","","10.1039/c3cc41079j","","","0.71073","MoKα","","0.0327","0.0292","","","0.0685","0.0706","","","","","","0.829","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109113","21.6091","0.0009","42.7935","0.0014","11.5194","0.0003","90","","90","","90","","10652.3","0.6","110","2","110","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H29 F5 N P Pt -","- C30 H29 F5 N P Pt -","- C480 H464 F80 N16 P16 Pt16 -","16","1","","Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes","Chem.Commun.","2013","49","","3446","","10.1039/c3cc41079j","","","0.71073","MoKα","","0.0342","0.0329","","","0.0746","0.0751","","","","","","1.045","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109114","34.5182","0.0011","7.8685","0.0006","26.5569","0.0009","90","","116.11","0.04","90","","6477","2","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H33 F3 N P Pt -","- C30 H33 F3 N P Pt -","- C240 H264 F24 N8 P8 Pt8 -","8","1","","Ina S. Dubinsky-Davidchik; Israel Goldberg; Arkadi Vigalok; Andrei N. Vedernikov","Unprecedented 1,3-migration of the aryl ligand in metallacyclic aryl alpha-naphthyl Pt(IV) difluorides to produce beta-arylnaphthyl Pt(II) complexes","Chem.Commun.","2013","49","","3446","","10.1039/c3cc41079j","","","0.71073","MoKα","","0.0594","0.0417","","","0.0972","0.1033","","","","","","0.976","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109115","14.809","0.003","21.668","0.004","24.158","0.005","105.56","0.03","94.22","0.03","90.62","0.03","7444","3","173","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C64 H52.5 B0 Cl F0 Fe2 N13 O2.75 Pd Pt0.5 -","- C64 H52.5 Cl Fe2 N13 O2.75 Pd Pt0.5 -","- C256 H210 Cl4 Fe8 N52 O11 Pd4 Pt2 -","4","2","","James E. M. Lewis; C. John McAdam; Michael G. Gardiner; James D. Crowley","A facile 'click' approach to functionalised metallosupramolecular architectures","Chem.Commun.","2013","49","","3398","","10.1039/c3cc41209a","","","0.7108","Synchrotron","","0.1352","0.0945","","","0.2832","0.3095","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109116","8.0885","0.0004","16.7224","0.0005","9.1381","0.0005","90","","113.44","0.006","90","","1134.01","0.1","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H23 Cl O4 -","- C27 H23 Cl O4 -","- C54 H46 Cl2 O8 -","2","1","","Weidi Cao; Xiaohua Liu; Ruixue Peng; Peng He; Lili Lin; Xiaoming Feng","Catalytic asymmetric cross-dehydrogenative coupling: activation of C-H bonds by a cooperative bimetallic catalyst system","Chem.Commun.","2013","49","","3470","","10.1039/c3cc41315b","","","0.7107","MoKα","","0.0566","0.0427","","","0.08","0.0896","","","","","","1.047","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109117","24.7588","0.0017","7.438","0.0005","12.7956","0.0009","90","","98.237","0.001","90","","2332.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Au F5 N O -","- C23 H25 Au F5 N O -","- C92 H100 Au4 F20 N4 O4 -","4","1","","Jinhua Liang; Zhao Chen; Jun Yin; Guang-Ao Yu; Sheng Hua Liu","Aggregation-induced emission (AIE) behavior and thermochromic luminescence properties of a new gold(I) complex","Chem.Commun.","2013","49","","3567","","10.1039/c3cc00157a","","","0.71073","MoKα","","0.0543","0.0496","","","0.0956","0.0974","","","","","","1.284","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109118","25.1752","0.0007","25.1752","0.0007","30.0006","0.0005","90","","90","","120","","16466.7","0.7","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C11.5 H20 N O3 -","- C11.5 H20 N O3 -","- C414 H720 N36 O108 -","36","1","","David Bardelang; Michel Giorgi; Cedric Pardanaud; Virginie Hornebecq; Egon Rizzato; Paul Tordo; Olivier Ouari","Organic multishell isostructural host-guest crystals: fullerenes C60 inside a nitroxide open framework","Chem.Commun.","2013","49","","3519","","10.1039/c3cc00170a","","x-ray","0.71073","MoKα","","0.202","0.1355","","","0.3915","0.436","","","","","","1.532","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109119","25.1752","0.0007","25.1752","0.0007","30.0006","0.0005","90","","90","","120","","16466.7","0.7","293","2","293","2","","","","","","","synthesis as described","4","R -3 c :H","-R 3 2""c","167","","","","- C11.5 H20 N O3 -","- C11.5 H20 N O3 -","- C414 H720 N36 O108 -","36","1","","David Bardelang; Michel Giorgi; Cedric Pardanaud; Virginie Hornebecq; Egon Rizzato; Paul Tordo; Olivier Ouari","Organic multishell isostructural host-guest crystals: fullerenes C60 inside a nitroxide open framework","Chem.Commun.","2013","49","","3519","","10.1039/c3cc00170a","","x-ray","0.71073","MoKα","","0.1172","0.0742","","","0.2537","0.2886","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109120","25.189","0.0008","25.189","0.0008","30.1466","0.0006","90","","90","","120","","16565","0.8","293","2","293","2","","","","","","","synthesis as described","4","R -3 c :H","-R 3 2""c","167","","","","- C11.5 H20 N O3 -","- C11.5 H20 N O3 -","- C414 H720 N36 O108 -","36","1","","David Bardelang; Michel Giorgi; Cedric Pardanaud; Virginie Hornebecq; Egon Rizzato; Paul Tordo; Olivier Ouari","Organic multishell isostructural host-guest crystals: fullerenes C60 inside a nitroxide open framework","Chem.Commun.","2013","49","","3519","","10.1039/c3cc00170a","","x-ray","0.71073","MoKα","","0.1353","0.0915","","","0.3019","0.337","","","","","","1.142","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109121","25.189","0.0008","25.189","0.0008","30.1466","0.0006","90","","90","","120","","16565","0.8","293","2","293","2","","","","","","","synthesis as described","4","R -3 c :H","-R 3 2""c","167","","","","- C11.5 H20 N O3 -","- C11.5 H20 N O3 -","- C414 H720 N36 O108 -","36","1","","David Bardelang; Michel Giorgi; Cedric Pardanaud; Virginie Hornebecq; Egon Rizzato; Paul Tordo; Olivier Ouari","Organic multishell isostructural host-guest crystals: fullerenes C60 inside a nitroxide open framework","Chem.Commun.","2013","49","","3519","","10.1039/c3cc00170a","","x-ray","0.71073","MoKα","","0.2195","0.1572","","","0.4459","0.4854","","","","","","1.763","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109122","9.612","0.001","16.4062","0.0017","14.7042","0.0015","90","","104.078","0.001","90","","2249.2","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H55 Cd2 N5 O19 -","- C37 H55 Cd2 N5 O19 -","- C74 H110 Cd4 N10 O38 -","2","1","","Qingxiang Yang; Zhijun Chen; Jinsong Hu; Ying Hao; Yizhi Li; Qingyi Lu; Hegen Zheng","A second-order nonlinear optical material with a hydrated homochiral helix obtained via spontaneous symmetric breaking crystallization from an achiral ligand","Chem.Commun.","2013","49","","3585","","10.1039/c3cc00299c","","","0.71073","MoKα","","0.0358","0.0345","","","0.0986","0.1107","","","","","","1.026","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109123","12.397","0.001","13.5897","0.0013","22.542","0.002","90","","104.739","0.001","90","","3672.7","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cu5 I8 N6 O34 Sm2 -","- C42 H36 Cu5 I8 N6 O34 Sm2 -","- C84 H72 Cu10 I16 N12 O68 Sm4 -","2","0.5","","Xiao-Li Hu; Chun-Yi Sun; Chao Qin; Xin-Long Wang; Hai-Ning Wang; En-Long Zhou; Wen-E Li; Zhong-Min Su","Iodine-templated assembly of unprecedented 3d-4f metal-organic frameworks as photocatalysts for hydrogen generation","Chem.Commun.","2013","49","","3564","","10.1039/c3cc39173f","","","0.71073","MoKα","","0.0484","0.036","","","0.0823","0.0887","","","","","","1.045","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109124","12.38","0.002","13.575","0.005","22.507","0.005","90","","104.799","0.005","90","","3657","1.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cu5 Eu2 I8 N6 O34 -","- C42 H36 Cu5 Eu2 I8 N6 O34 -","- C84 H72 Cu10 Eu4 I16 N12 O68 -","2","0.5","","Xiao-Li Hu; Chun-Yi Sun; Chao Qin; Xin-Long Wang; Hai-Ning Wang; En-Long Zhou; Wen-E Li; Zhong-Min Su","Iodine-templated assembly of unprecedented 3d-4f metal-organic frameworks as photocatalysts for hydrogen generation","Chem.Commun.","2013","49","","3564","","10.1039/c3cc39173f","","","0.71073","MoKα","","0.058","0.0397","","","0.0876","0.0959","","","","","","1.062","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109125","12.39","0.002","13.575","0.003","22.512","0.005","90","","104.811","0.003","90","","3660.6","1.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cu5 Gd2 I8 N6 O34 -","- C42 H36 Cu5 Gd2 I8 N6 O34 -","- C84 H72 Cu10 Gd4 I16 N12 O68 -","2","0.5","","Xiao-Li Hu; Chun-Yi Sun; Chao Qin; Xin-Long Wang; Hai-Ning Wang; En-Long Zhou; Wen-E Li; Zhong-Min Su","Iodine-templated assembly of unprecedented 3d-4f metal-organic frameworks as photocatalysts for hydrogen generation","Chem.Commun.","2013","49","","3564","","10.1039/c3cc39173f","","","0.71073","MoKα","","0.0715","0.0513","","","0.1219","0.1347","","","","","","1.035","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109126","12.3775","0.001","13.5563","0.0012","22.4534","0.0019","90","","105.004","0.001","90","","3639.1","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cu5 I8 N6 O34 Tb2 -","- C42 H36 Cu5 I8 N6 O34 Tb2 -","- C84 H72 Cu10 I16 N12 O68 Tb4 -","2","0.5","","Xiao-Li Hu; Chun-Yi Sun; Chao Qin; Xin-Long Wang; Hai-Ning Wang; En-Long Zhou; Wen-E Li; Zhong-Min Su","Iodine-templated assembly of unprecedented 3d-4f metal-organic frameworks as photocatalysts for hydrogen generation","Chem.Commun.","2013","49","","3564","","10.1039/c3cc39173f","","","0.71073","MoKα","","0.0462","0.0357","","","0.0812","0.0878","","","","","","1.025","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109127","15.433","0.003","19.544","0.004","20.069","0.004","81.88","0.02","77.72","0.04","68.69","0.03","5497","2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C104 H90 Cl6 F20 I7 N4 O2 -","- C104 H90 Cl6 F20 I7 N4 O2 -","- C208 H180 Cl12 F40 I14 N8 O4 -","2","1","","Meital Boterashvili; Tanya Shirman; Sidney R. Cohen; Guennadi Evmenenko; Pulak Dutta; Petr Milko; Gregory Leitus; Michal Lahav; Milko E. van der Boom","Interfacial halogen bonding probed using force spectroscopy","Chem.Commun.","2013","49","","3531","","10.1039/c3cc40378e","","","0.71073","MoKα","","0.0979","0.0485","","","0.0993","0.123","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109128","5.155","0.003","36.609","0.018","11.688","0.006","90","","102.638","0.009","90","","2152","2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C84 H120 N8 O20 -","4","2","","Dnyaneshwar Kand; Dinesh Pratapsinh Chauhan; Mayurika Lahiri; Pinaki Talukdar","delta-Unsaturated gamma-amino acids: enantiodivergent synthesis and cell imaging studies","Chem.Commun.","2013","49","","3591","","10.1039/c3cc40824h","","","0.71073","MoKα","","0.1369","0.0632","","","0.12","0.1503","","","","","","0.999","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109129","19.851","0.004","20.966","0.005","5.1137","0.0011","90","","90","","90","","2128.3","0.8","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H30 N2 O5 -","- C21 H30 N2 O5 -","- C84 H120 N8 O20 -","4","1","","Dnyaneshwar Kand; Dinesh Pratapsinh Chauhan; Mayurika Lahiri; Pinaki Talukdar","delta-Unsaturated gamma-amino acids: enantiodivergent synthesis and cell imaging studies","Chem.Commun.","2013","49","","3591","","10.1039/c3cc40824h","","","0.71073","MoKα","","0.0473","0.0361","","","0.0774","0.082","","","","","","0.935","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109130","17.0917","0.0003","20.9589","0.0003","30.4298","0.0004","108.077","0.0013","101.81","0.0013","92.1947","0.0012","10082.3","0.3","100.15","","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C128 H234 Co4 Dy10 N12 O66 P12 -","- C128 H239.82 Co4 Dy10 N12 O66 P12 -","- C256 H479.64 Co8 Dy20 N24 O132 P24 -","2","1","","Eufemio Moreno Pineda; Floriana Tuna; Robin G. Pritchard; Andrew C. Regan; Richard E. P. Winpenny; Eric J. L. McInnes","Molecular amino-phosphonate cobalt-lanthanide clusters","Chem.Commun.","2013","49","","3522","","10.1039/c3cc40907d","","","0.7107","MoKα","","0.1402","0.0868","","","0.1694","0.1944","","","","","","1.113","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109131","18.219","0.0002","22.4563","0.0003","27.5752","0.0004","70.1022","0.0012","84.5267","0.0011","79.3776","0.0012","10420.1","0.3","100","2","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C130 H245 Co4 Gd10 N13 O66 P12 -","- C130 H223 Co4 Gd10 N13 O66 P12 -","- C260 H446 Co8 Gd20 N26 O132 P24 -","2","1","","Eufemio Moreno Pineda; Floriana Tuna; Robin G. Pritchard; Andrew C. Regan; Richard E. P. Winpenny; Eric J. L. McInnes","Molecular amino-phosphonate cobalt-lanthanide clusters","Chem.Commun.","2013","49","","3522","","10.1039/c3cc40907d","","","0.7107","MoKα","","0.1559","0.0953","","","0.192","0.2181","","","","","","1.099","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109132","15.8683","0.0005","27.0973","0.0008","19.4683","0.0006","90","","112.274","0.003","90","","7746.5","0.4","100","2","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C104 H192 Co6 Gd4 N10 Na2 O44 P6 -","- C104 H192 Co6 Gd4 N10 Na2 O44 P6 -","- C208 H384 Co12 Gd8 N20 Na4 O88 P12 -","2","0.5","","Eufemio Moreno Pineda; Floriana Tuna; Robin G. Pritchard; Andrew C. Regan; Richard E. P. Winpenny; Eric J. L. McInnes","Molecular amino-phosphonate cobalt-lanthanide clusters","Chem.Commun.","2013","49","","3522","","10.1039/c3cc40907d","","","0.7107","MoKα","","0.0799","0.0546","","","0.1278","0.1392","","","","","","1.1","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109133","7.3105","0.0002","12.5653","0.0003","16.0454","0.0004","90","","102.043","0.001","90","","1441.47","0.06","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","SVG447","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Silvia Vila-Gisbert; Antonio Urbano; M. Carmen Carreno","Model studies towards the challenging angularly-oxygenated core of several angucyclinones from an oxidative dearomatization strategy","Chem.Commun.","2013","49","","3561","","10.1039/c3cc41221k","","","0.71073","","","0.0635","0.0453","","","0.1329","0.1548","","","","","","1.088","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109134","19.4252","0.0003","10.8267","0.0001","18.5071","0.0003","90","","116.938","0.001","90","","3469.92","0.09","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","SVG491-1","","","- C18 H24 O7 -","- C18 H24 O7 -","- C144 H192 O56 -","8","1","","Silvia Vila-Gisbert; Antonio Urbano; M. Carmen Carreno","Model studies towards the challenging angularly-oxygenated core of several angucyclinones from an oxidative dearomatization strategy","Chem.Commun.","2013","49","","3561","","10.1039/c3cc41221k","","","0.71073","","","0.0515","0.0416","","","0.1198","0.1298","","","","","","1","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109135","11.5674","0.0005","12.7922","0.0006","10.8484","0.0004","90","","115.27","0.002","90","","1451.65","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","SVG453","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Silvia Vila-Gisbert; Antonio Urbano; M. Carmen Carreno","Model studies towards the challenging angularly-oxygenated core of several angucyclinones from an oxidative dearomatization strategy","Chem.Commun.","2013","49","","3561","","10.1039/c3cc41221k","","","0.71073","","","0.0771","0.0425","","","0.1281","0.1616","","","","","","1.074","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109136","7.91","0.0012","10.144","0.0016","19.501","0.002","99.419","0.019","90.797","0.003","105.56","0.02","1484.3","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N3 O3 -","- C16 H17 N3 O3 -","- C64 H68 N12 O12 -","4","2","","Wen Zhou; Xiao-Xiao Li; Guo-Hua Li; Yun Wu; Zili Chen","Gold catalyzed [3+2] cycloaddition of N-allenyl amides with azomethine imines","Chem.Commun.","2013","49","","3552","","10.1039/c3cc41258j","","","1.54187","CuKα","","0.0618","0.0577","","","0.1299","0.1336","","","","","","1.107","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109137","11.699","0.005","15.495","0.007","12.654","0.006","90","","95.201","0.008","90","","2284.4","1.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N4 O2 -","- C27 H22 N4 O2 -","- C108 H88 N16 O8 -","4","1","","Rongshun Chen; Silong Xu; Liyi Wang; Yuhai Tang; Zhengjie He","Distinct reactivity of Morita-Baylis-Hillman acetates as a novel C2 component in amine-catalyzed [2 + 2 + 2] and [2 + 4] annulations","Chem.Commun.","2013","49","","3543","","10.1039/c3cc41419a","","","0.71073","MoKα","","0.0865","0.0732","","","0.1664","0.1754","","","","","","1.173","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109138","7.8575","0.0016","8.2529","0.0017","17.024","0.003","100.47","0.03","92.6","0.03","108.88","0.03","1020.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O5 S -","- C23 H21 N O5 S -","- C46 H42 N2 O10 S2 -","2","1","","Rongshun Chen; Silong Xu; Liyi Wang; Yuhai Tang; Zhengjie He","Distinct reactivity of Morita-Baylis-Hillman acetates as a novel C2 component in amine-catalyzed [2 + 2 + 2] and [2 + 4] annulations","Chem.Commun.","2013","49","","3543","","10.1039/c3cc41419a","","","0.71073","MoKα","","0.0865","0.0442","","","0.0951","0.1081","","","","","","0.964","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109139","14.842","0.001","14.842","0.001","25.8161","0.0018","90","","90","","90","","5686.9","0.7","100","2","100","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C112 H176 Cu2 N10 O18 -","- C100 H156 Cu2 N8 O16 -","- C200 H312 Cu4 N16 O32 -","2","0.25","","Maria Castellano; Rafael Ruiz-Garcia; Joan Cano; Miguel Julve; Francesc Lloret; Yves Journaux; Giovanni De Munno; Donatella Armentano","Multielectron transfer in a dicopper(II) anthraquinophane","Chem.Commun.","2013","49","","3534","","10.1039/c3cc41434e","","","0.71073","MoKα","","0.0604","0.0553","","","0.1656","0.1696","","","","","","1.229","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109140","8.5876","0.0002","20.5244","0.0003","12.2009","0.0002","90","","96.667","0.002","90","","2135.93","0.07","123","0.1","123","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N2 O4 -","- C26 H26 N2 O4 -","- C104 H104 N8 O16 -","4","1","","Valentina Pirovano; Laura Decataldo; Elisabetta Rossi; Ruben Vicente","Gold-catalyzed synthesis of tetrahydrocarbazole derivatives through an intermolecular cycloaddition of vinyl indoles and N-allenamides","Chem.Commun.","2013","49","","3594","","10.1039/c3cc41514g","","","1.5418","CuKα","","0.0565","0.0431","","","0.1082","0.1179","","","","","","1.022","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109141","27.7207","0.0019","5.8026","0.0002","28.3766","0.0016","90","","101.018","0.007","90","","4480.3","0.4","123","0.3","123","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C208 H176 N16 O32 -","8","1","","Valentina Pirovano; Laura Decataldo; Elisabetta Rossi; Ruben Vicente","Gold-catalyzed synthesis of tetrahydrocarbazole derivatives through an intermolecular cycloaddition of vinyl indoles and N-allenamides","Chem.Commun.","2013","49","","3594","","10.1039/c3cc41514g","","","1.5418","CuKα","","0.0777","0.0648","","","0.1809","0.1972","","","","","","1.039","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7109142","12.9978","0.0008","22.7937","0.0014","12.2394","0.0008","90","","91.808","0.005","90","","3624.3","0.4","123","0.1","123","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H45 Cl2 N3 O7 -","- C148 H180 Cl8 N12 O28 -","- C148 H180 Cl8 N12 O28 -","","","","Valentina Pirovano; Laura Decataldo; Elisabetta Rossi; Ruben Vicente","Gold-catalyzed synthesis of tetrahydrocarbazole derivatives through an intermolecular cycloaddition of vinyl indoles and N-allenamides","Chem.Commun.","2013","49","","3594","","10.1039/c3cc41514g","","","1.5418","CuKα","","0.1387","0.1129","","","0.3185","0.345","","","","","","1.429","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109143","26.671","0.004","26.671","0.004","30.26","0.006","90","","90","","90","","21525","6","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C5 H30 Ce2 Mn N O49 V13 -","- C5 Ce2 Mn N O49 V13 -","- C40 Ce16 Mn8 N8 O392 V104 -","8","0.5","","Ding Liu; Ying Lu; Hua-Qiao Tan; Wei-Lin Chen; Zhi-Ming Zhang; Yang-Guang Li; En-Bo Wang","Polyoxometalate-based purely inorganic porous frameworks with selective adsorption and oxidative catalysis functionalities","Chem.Commun.","2013","49","","3673","","10.1039/c3cc40990b","","","0.71073","MoKα","","0.0621","0.0526","","","0.1412","0.1457","","","","","","1.025","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109144","26.725","0.004","26.725","0.004","30.487","0.006","90","","90","","90","","21775","6","293","2","293","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C5 H30 La2 Mn N O49 V13 -","- C5 La2 Mn N O49 V13 -","- C40 La16 Mn8 N8 O392 V104 -","8","0.5","","Ding Liu; Ying Lu; Hua-Qiao Tan; Wei-Lin Chen; Zhi-Ming Zhang; Yang-Guang Li; En-Bo Wang","Polyoxometalate-based purely inorganic porous frameworks with selective adsorption and oxidative catalysis functionalities","Chem.Commun.","2013","49","","3673","","10.1039/c3cc40990b","","","0.71073","MoKα","","0.0738","0.0584","","","0.1492","0.1561","","","","","","1.024","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109145","39.9678","0.0016","39.9678","0.0016","26.249","0.002","90","","90","","90","","41931","4","293","2","293","2","","","","","","","","5","I -4 m 2","I -4 -2","119","","","","- H19 La2 Mn O47 V13 -","- La2 Mn O47 V13 -","- La32 Mn16 O752 V208 -","16","1","","Ding Liu; Ying Lu; Hua-Qiao Tan; Wei-Lin Chen; Zhi-Ming Zhang; Yang-Guang Li; En-Bo Wang","Polyoxometalate-based purely inorganic porous frameworks with selective adsorption and oxidative catalysis functionalities","Chem.Commun.","2013","49","","3673","","10.1039/c3cc40990b","","","0.71073","MoKα","","0.1233","0.0784","","","0.1819","0.2042","","","","","","1.122","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109146","7.419","0.003","32.757","0.007","8.541","0.003","90","","99.572","0.004","90","","2046.8","1.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H20 Br N O2 -","- C27 H20 Br N O2 -","- C108 H80 Br4 N4 O8 -","4","2","","Neng-jun Zhong; Li Liu; Dong Wang; Yong-Jun Chen","Enantioselective tandem reaction of chromone-derived Morita-Baylis-Hillman carbonates with benzylamines catalyzed by a trifunctional organocatalyst: the synthesis of chiral 3-aminomethylene-flavanones","Chem.Commun.","2013","49","","3697","","10.1039/c3cc41011k","","","0.71073","MoKα","","0.1085","0.0951","","","0.213","0.2251","","","","","","1.049","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109147","23.0012","0.0011","27.8925","0.0013","39.3225","0.0014","90","","98.63","0.003","90","","24942.2","1.9","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C168 H259 Ag42 Cl4 Ho O40 W10 -","- C168 H259 Ag42 Cl4 Ho O40 W10 -","- C672 H1036 Ag168 Cl16 Ho4 O160 W40 -","4","1","","Yu-Yang Li; Feng Gao; Jonathon E. Beves; Yi-Zhi Li; Jing-Lin Zuo","A giant metallo-supramolecular cage encapsulating a single-molecule magnet","Chem.Commun.","2013","49","","3658","","10.1039/c3cc41237g","","","0.71073","MoKα","","0.0543","0.0442","","","0.1031","0.1044","","","","","","1.031","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109148","11.5379","0.0013","7.0208","0.0008","19.335","0.002","90","","94.958","0.003","90","","1560.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 Cl F3 N O -","- C18 H13 Cl F3 N O -","- C72 H52 Cl4 F12 N4 O4 -","4","1","","Ravi Kiran Chinnagolla; Sandeep Pimparkar; Masilamani Jeganmohan","A regioselective synthesis of 1-haloisoquinolines via ruthenium-catalyzed cyclization of O-methylbenzohydroximoyl halides with alkynes","Chem.Commun.","2013","49","","3703","","10.1039/c3cc41269e","","","0.71073","MoKα","","0.0544","0.0361","","","0.0901","0.1004","","","","","","1.03","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109149","12.0938","0.0007","15.8194","0.0009","16.3813","0.001","69.747","0.001","68.929","0.001","77.743","0.001","2729.8","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H37 F12 N15 O15 Pb2 S4 -","- C37 H37 F12 N15 O15 Pb2 S4 -","- C74 H74 F24 N30 O30 Pb4 S8 -","2","1","","Adrian-Mihail Stadler; Ji-Jun Jiang; Hai-Ping Wang; Corinne Bailly","Large shape-persistent metal-invertible 15-Nsp2-donor-atom macrocycles functioning as trinucleating ligands","Chem.Commun.","2013","49","","3784","","10.1039/c2cc37260f","","","0.71073","MoKα","","0.0964","0.0497","","","0.1133","0.1337","","","","","","1.025","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109150","7.313","0.002","24.203","0.007","10.898","0.003","90","","106.903","0.004","90","","1845.6","0.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","1","","Ling Huang; Jianzhang Zhao","C60-Bodipy dyad triplet photosensitizers as organic photocatalysts for photocatalytic tandem oxidation/[3+2] cycloaddition reactions to prepare pyrrolo[2,1-a]isoquinoline","Chem.Commun.","2013","49","","3751","","10.1039/c3cc41494a","","","0.71073","MoKα","","0.0458","0.0386","","","0.1004","0.1049","","","","","","1.054","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109151","7.854","0.003","20.136","0.008","12.952","0.005","90","","106.591","0.007","90","","1963.1","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 Br N2 O4 -","- C23 H15 Br N2 O4 -","- C92 H60 Br4 N8 O16 -","4","1","","Ling Huang; Jianzhang Zhao","C60-Bodipy dyad triplet photosensitizers as organic photocatalysts for photocatalytic tandem oxidation/[3+2] cycloaddition reactions to prepare pyrrolo[2,1-a]isoquinoline","Chem.Commun.","2013","49","","3751","","10.1039/c3cc41494a","","","0.71073","MoKα","","0.0923","0.0507","","","0.13","0.1501","","","","","","1.027","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109152","10.2336","0.0015","14.137","0.002","11.2663","0.0017","90","","90","","90","","1629.9","0.4","200","2","200","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C18 H12 Be N2 O2 S2 -","- C18 H12 Be N2 O2 S2 -","- C72 H48 Be4 N8 O8 S8 -","4","","","Chan Seok Oh; Chil Won Lee; Jun Yeob Lee","Simple heteroatom engineering for tuning the triplet energy of organometallic host materials for red, green and blue phosphorescent organic light-emitting diodes","Chem.Commun.","2013","49","","3875","","10.1039/c3cc40629f","","","0.71073","MoKα","","0.0603","0.0455","","","0.1338","0.2027","","","","","","1.232","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109153","4.9933","0.001","7.9912","0.0016","14.017","0.003","87.95","0.03","85.51","0.03","81.56","0.03","551.4","0.2","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 Cl2 N2 -","- C28 H22 Cl2 N2 -","- C28 H22 Cl2 N2 -","1","0.5","","Jibo Zhang; Jinlong Chen; Bin Xu; Lijuan Wang; Suqian Ma; Yujie Dong; Bao Li; Ling Ye; Wenjing Tian","Remarkable fluorescence change based on the protonation-deprotonation control in organic crystals","Chem.Commun.","2013","49","","3878","","10.1039/c3cc41171k","","","0.71073","MoKα","","0.0549","0.0427","","","0.1152","0.129","","","","","","1.127","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109154","7.3295","0.0015","6.3418","0.0013","21.422","0.004","90","","91.26","0.03","90","","995.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","0.5","","Jibo Zhang; Jinlong Chen; Bin Xu; Lijuan Wang; Suqian Ma; Yujie Dong; Bao Li; Ling Ye; Wenjing Tian","Remarkable fluorescence change based on the protonation-deprotonation control in organic crystals","Chem.Commun.","2013","49","","3878","","10.1039/c3cc41171k","","","0.71073","MoKα","","0.0623","0.0434","","","0.1109","0.1219","","","","","","1.029","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109155","12.7772","0.0009","16.9237","0.0011","15.5766","0.001","90","","92.7","0.003","90","","3364.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Gd Mn N6 O14 -","- C26 H40 Gd Mn N6 O14 -","- C104 H160 Gd4 Mn4 N24 O56 -","4","1","","Enrique Colacio; Jose Ruiz; Giulia Lorusso; Euan K. Brechin; Marco Evangelisti","A ferromagnetically coupled diphenoxo-bridged Gd3±Mn2+ dinuclear complex with a large magneto-caloric effect","Chem.Commun.","2013","49","","3845","","10.1039/c3cc41483c","","","0.71073","MoKα","","0.0349","0.0267","","","0.0616","0.0657","","","","","","1.047","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109156","17.986","0.0007","32.4038","0.0014","32.9781","0.0014","90","","90.406","0.002","90","","19219.6","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C180 H230 Cl12 N14 O44 -","- C168 H200 N8 O32 -","- C672 H800 N32 O128 -","4","1","","Michal Wierzbicki; Agnieszka Szumna","Assembly-driven synthesis of hybrid molecular capsules controlled by chiral sorting","Chem.Commun.","2013","49","","3860","","10.1039/c3cc41515e","","","1.54184","CuKα","","0.0808","0.07","","","0.1917","0.2006","","","","","","1.035","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109157","8.4548","0.0009","11.3819","0.0012","11.7256","0.0012","106.632","0.002","107.674","0.003","91.787","0.002","1021.48","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 F N2 O2 S -","- C24 H19 F N2 O2 S -","- C48 H38 F2 N4 O4 S2 -","2","1","","Bagineni Prasad; B. Yogi Sreenivas; D. Rambabu; G. Rama Krishna; C. Malla Reddy; K. Lalith Kumar; Manojit Pal","Conformationally restricted functionalized heteroaromatics: a direct access to novel indoloindoles via Pd-mediated reaction","Chem.Commun.","2013","49","","3970","","10.1039/c2cc38342j","","","0.71073","MoKα","","0.0581","0.0393","","","0.0952","0.1072","","","","","","1.036","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109158","30.848","0.004","30.848","0.004","30.848","0.004","90","","90","","90","","29355","7","296","2","296","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C32 H41 Cl4 Cu2 N6 O2 Si2 -","- C32 H41 Cl4 Cu2 N6 O2 Si2 -","- C768 H984 Cl96 Cu48 N144 O48 Si48 -","24","0.5","","Kyung Hwan Park; Tae Hwan Noh; Yoon-Bo Shim; Ok-Sang Jung","Construction of right-handed-, left-handed-, and racemic helical coordination polymers. Enantioselective recognition using chiral helical crystals","Chem.Commun.","2013","49","","4000","","10.1039/c3cc00005b","","","0.71073","MoKα","","0.0817","0.0454","","","0.0992","0.1053","","","","","","1.02","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109159","11.9782","0.0004","11.9782","0.0004","15.7892","0.0013","90","","90","","90","","2265.4","0.2","173","2","173","2","","","","","","","","8","P 41","P 4w","76","","","","- C16 H23 Cl2 Cu N2 O1.5 S1.5 Si -","- C16 H23 Cl2 Cu N2 O1.5 S1.5 Si -","- C64 H92 Cl8 Cu4 N8 O6 S6 Si4 -","4","1","","Kyung Hwan Park; Tae Hwan Noh; Yoon-Bo Shim; Ok-Sang Jung","Construction of right-handed-, left-handed-, and racemic helical coordination polymers. Enantioselective recognition using chiral helical crystals","Chem.Commun.","2013","49","","4000","","10.1039/c3cc00005b","","","0.71073","MoKα","","0.0708","0.0491","","","0.1168","0.1221","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109160","12.0129","0.0002","12.0129","0.0002","15.8085","0.0003","90","","90","","90","","2281.32","0.07","173","2","173","2","","","","","","","","8","P 43","P 4cw","78","","","","- C17 H26 Cl2 Cu N2 O2 S2 Si -","- C17 H26 Cl2 Cu N2 O2 S2 Si -","- C68 H104 Cl8 Cu4 N8 O8 S8 Si4 -","4","1","","Kyung Hwan Park; Tae Hwan Noh; Yoon-Bo Shim; Ok-Sang Jung","Construction of right-handed-, left-handed-, and racemic helical coordination polymers. Enantioselective recognition using chiral helical crystals","Chem.Commun.","2013","49","","4000","","10.1039/c3cc00005b","","","0.71073","MoKα","","0.064","0.05","","","0.1237","0.1308","","","","","","1.008","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109161","11.4633","0.0015","17.645","0.002","12.4407","0.0017","90","","113.204","0.002","90","","2312.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N2 O3 -","- C25 H32 N2 O3 -","- C100 H128 N8 O12 -","4","1","","Hua Lin; Yu Tan; Wen-Jie Liu; Zhi-Cheng Zhang; Xing-Wen Sun; Guo-Qiang Lin","A highly efficient access to enantiopure tetrahydropyridines: dual-organocatalyst-promoted asymmetric cascade reaction","Chem.Commun.","2013","49","","4024","","10.1039/c3cc40690c","","","0.71073","MoKα","","0.0796","0.0592","","","0.1593","0.1772","","","","","","1.042","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109162","8.461","0.003","35.503","0.013","10.318","0.004","90","","90.898","0.006","90","","3099","2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H34 N2 O7 S -","- C34 H31 N2 O7 S -","- C136 H124 N8 O28 S4 -","4","2","","Hua Lin; Yu Tan; Wen-Jie Liu; Zhi-Cheng Zhang; Xing-Wen Sun; Guo-Qiang Lin","A highly efficient access to enantiopure tetrahydropyridines: dual-organocatalyst-promoted asymmetric cascade reaction","Chem.Commun.","2013","49","","4024","","10.1039/c3cc40690c","","","0.71073","MoKα","","0.1836","0.0646","","","0.1508","0.2116","","","","","","0.815","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109163","11.151","0.005","13.4","0.006","13.655","0.006","77.677","0.008","67.185","0.007","66.388","0.007","1719.2","1.3","291","2","291","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H28 B2 Br8 Cl4 F4 N4 O4 S8 -","- C60 H28 B2 Br8 Cl4 F4 N4 O4 S8 -","- C60 H28 B2 Br8 Cl4 F4 N4 O4 S8 -","1","0.5","","Yongchao Yang; Qiuli Guo; Huachao Chen; Zhikuan Zhou; Zijian Guo; Zhen Shen","Thienopyrrole-expanded BODIPY as a potential NIR photosensitizer for photodynamic therapy","Chem.Commun.","2013","49","","3940","","10.1039/c3cc40746b","","","0.71073","MoKα","","0.0773","0.0533","","","0.1099","0.1151","","","","","","1.054","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109164","12.0033","0.0017","12.516","0.0018","13.6567","0.0011","75.653","0.002","79.106","0.003","63.71","0.002","1774.7","0.4","291","2","291","2","","","","","","","","9","P -1","-P 1","2","","","","- C30 H16 B Br3 Cl2 F2 N2 O2 S4 -","- C30 H16 B Br3 Cl2 F2 N2 O2 S4 -","- C60 H32 B2 Br6 Cl4 F4 N4 O4 S8 -","2","1","","Yongchao Yang; Qiuli Guo; Huachao Chen; Zhikuan Zhou; Zijian Guo; Zhen Shen","Thienopyrrole-expanded BODIPY as a potential NIR photosensitizer for photodynamic therapy","Chem.Commun.","2013","49","","3940","","10.1039/c3cc40746b","","","0.71073","MoKα","","0.0682","0.0554","","","0.1544","0.1575","","","","","","1.048","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109165","9.3971","0.0005","14.8204","0.0007","17.5829","0.0009","69.237","0.003","75.363","0.003","83.377","0.003","2214.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H42 Cl N7 O13 -","- C45 H42 Cl N7 O13 -","- C90 H84 Cl2 N14 O26 -","2","1","","Arghya Basu; Gopal Das","Encapsulation of a discrete cyclic halide water tetramer [X2(H2O)2]2-, X = Cl-/Br- within a dimeric capsular assembly of a tripodal amide receptor","Chem.Commun.","2013","49","","3997","","10.1039/c3cc40955d","","","0.71073","MoKα","","0.1339","0.0568","","","0.1436","0.1856","","","","","","0.861","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109166","9.4231","0.0011","14.924","0.0012","17.6464","0.0015","68.839","0.008","74.96","0.009","83.36","0.008","2234.3","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H42 Br N7 O13 -","- C45 H42 Br N7 O13 -","- C90 H84 Br2 N14 O26 -","2","1","","Arghya Basu; Gopal Das","Encapsulation of a discrete cyclic halide water tetramer [X2(H2O)2]2-, X = Cl-/Br- within a dimeric capsular assembly of a tripodal amide receptor","Chem.Commun.","2013","49","","3997","","10.1039/c3cc40955d","","","0.71073","MoKα","","0.1618","0.083","","","0.2079","0.2748","","","","","","0.988","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109167","8.065","0.0005","41.706","0.002","15.0999","0.0008","90","","97.283","0.006","90","","5038","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 I N7 O13 S -","- C45 H40 I N7 O12 -","- C180 H160 I4 N28 O48 -","4","1","","Arghya Basu; Gopal Das","Encapsulation of a discrete cyclic halide water tetramer [X2(H2O)2]2-, X = Cl-/Br- within a dimeric capsular assembly of a tripodal amide receptor","Chem.Commun.","2013","49","","3997","","10.1039/c3cc40955d","","","0.71073","MoKα","","0.1367","0.1","","","0.2983","0.3292","","","","","","1.12","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109168","10.616","0.0005","12.2924","0.0006","12.6394","0.0006","77.384","0.004","72.856","0.004","72.749","0.004","1489.62","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","2","","Alina Raskosova; Reinhard Stosser; Werner Abraham","Molecular photoswitches based on spiro-acridans","Chem.Commun.","2013","49","","3964","","10.1039/c3cc41135d","","","0.71073","MoKα","","0.0443","0.0371","","","0.0954","0.0984","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109169","5.40904","0.00018","12.6594","0.0004","23.2463","0.0008","90","","91.103","0.003","90","","1591.5","0.09","110","0.1","110","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H19 Br2 N -","- C17 H19 Br2 N -","- C68 H76 Br8 N4 -","4","1","","Linda J. McAllister; Carsten Prasang; Joanna P.-W. Wong; Robert J. Thatcher; Adrian C. Whitwood; Bertrand Donnio; Peter O'Brien; Peter B. Karadakov; Duncan W. Bruce","Halogen-bonded liquid crystals of 4-alkoxystilbazoles with molecular iodine: a very short halogen bond and unusual mesophase stability","Chem.Commun.","2013","49","","3946","","10.1039/c3cc41227j","","","0.7107","MoKα","","0.0335","0.0317","","","0.0719","0.073","","","","","","1.048","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109170","9.5988","0.0017","10.6104","0.0019","11.461","0.002","99.655","0.003","95.039","0.003","109.933","0.003","1068.5","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 I2 N O -","- C21 H27 I2 N O -","- C42 H54 I4 N2 O2 -","2","1","","Linda J. McAllister; Carsten Prasang; Joanna P.-W. Wong; Robert J. Thatcher; Adrian C. Whitwood; Bertrand Donnio; Peter O'Brien; Peter B. Karadakov; Duncan W. Bruce","Halogen-bonded liquid crystals of 4-alkoxystilbazoles with molecular iodine: a very short halogen bond and unusual mesophase stability","Chem.Commun.","2013","49","","3946","","10.1039/c3cc41227j","","","0.71073","MoKα","","0.0772","0.04","","","0.0728","0.0805","","","","","","1.008","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109171","4.8844","0.0006","8.1363","0.0009","25.803","0.003","93.248","0.002","92.73","0.003","90.372","0.003","1022.6","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Br2 N O -","- C21 H27 Br2 N O -","- C42 H54 Br4 N2 O2 -","2","1","","Linda J. McAllister; Carsten Prasang; Joanna P.-W. Wong; Robert J. Thatcher; Adrian C. Whitwood; Bertrand Donnio; Peter O'Brien; Peter B. Karadakov; Duncan W. Bruce","Halogen-bonded liquid crystals of 4-alkoxystilbazoles with molecular iodine: a very short halogen bond and unusual mesophase stability","Chem.Commun.","2013","49","","3946","","10.1039/c3cc41227j","","","0.71073","MoKα","","0.0329","0.0264","","","0.061","0.0641","","","","","","1.033","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109172","22.0767","0.0008","22.0767","0.0008","21.1707","0.001","90","","90","","90","","10318.2","0.7","173","2","173","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","tetra(4-cyanophenyl)ethylene","","- C30 H16 N4 -","- C30 H16 N4 -","- C480 H256 N64 -","16","0.5","","Asamanjoy Bhunia; Vera Vasylyeva; Christoph Janiak","From a supramolecular tetranitrile to a porous covalent triazine-based framework with high gas uptake capacities","Chem.Commun.","2013","49","","3961","","10.1039/c3cc41382a","","","1.54178","CuKα","","0.066","0.0592","","","0.1643","0.1693","","","","","","1.105","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109173","10.725","0.002","15.113","0.003","35.434","0.007","90","","91.85","0.03","90","","5740.4","1.9","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H76 N4 Zn -","- C72 H76 N4 Zn -","- C288 H304 N16 Zn4 -","4","1","","Seung Hyun Chae; Soojung Choi; Jicheol Shin; Youngmee Kim; Sung-Jin Kim; Dong Hoon Choi; SukJoong Lee","Dramatic enhancement of carrier mobility via effective secondary structural arrangement resulting from the substituents in a porphyrin transistor","Chem.Commun.","2013","49","","3994","","10.1039/c3cc41735b","","","0.71073","MoKα","","0.3002","0.0871","","","0.1779","0.2344","","","","","","0.74","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109174","10.2621","0.0011","23.923","0.003","11.125","0.0012","90","","90.8","0.01","90","","2730.9","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H68 N4 O4 Zn -","- C68 H68 N4 O4 Zn -","- C136 H136 N8 O8 Zn2 -","2","0.5","","Seung Hyun Chae; Soojung Choi; Jicheol Shin; Youngmee Kim; Sung-Jin Kim; Dong Hoon Choi; SukJoong Lee","Dramatic enhancement of carrier mobility via effective secondary structural arrangement resulting from the substituents in a porphyrin transistor","Chem.Commun.","2013","49","","3994","","10.1039/c3cc41735b","","","0.71073","MoKα","","0.1119","0.0522","","","0.1075","0.1201","","","","","","0.837","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109175","14.5099","0.0012","15.3119","0.0011","23.0134","0.0018","90","","108.682","0.002","90","","4843.6","0.7","243","","243","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4,12-Bis{N?-[3,5-bis(trifluoromethyl)phenyl]thioureido}[2.2]paracyclophane","","- C46 H48 F12 N4 O3 S2 -","- C46 H48 F12 N4 O3 S2 -","- C184 H192 F48 N16 O12 S8 -","4","1","","Shinji Kitagaki; Takahiro Ueda; Chisato Mukai","Planar chiral [2.2]paracyclophane-based bis(thiourea) catalyst: application to asymmetric Henry reaction","Chem.Commun.","2013","49","","4030","","10.1039/c3cc41789a","","x-ray","0.71075","MoKα","","","0.0903","","","","0.2481","","","","","","1.324","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109178","12.805","0.003","26.307","0.006","10.923","0.003","90","","108.242","0.004","90","","3494.6","1.5","90","0.1","90","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 Cl In N2 O2 -","- C36 H52 Cl In N2 O2 -","- C144 H208 Cl4 In4 N8 O8 -","4","1","","Dinesh C. Aluthge; Brian O. Patricka; Parisa Mehrkhodavandi","A highly active and site selective indium catalyst for lactide polymerization","Chem.Commun.","2013","49","","4295","","10.1039/c2cc33519k","","","0.71073","MoKα","","0.0936","0.0594","","","0.1408","0.1614","","","","","","1.032","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109179","29.0584","0.0014","17.6316","0.0009","20.2917","0.0011","90","","110.009","0.003","90","","9768.8","0.9","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H162 In2 N4 O6 -","- C100 H162 In2 N4 O6 -","- C400 H648 In8 N16 O24 -","4","0.5","","Dinesh C. Aluthge; Brian O. Patricka; Parisa Mehrkhodavandi","A highly active and site selective indium catalyst for lactide polymerization","Chem.Commun.","2013","49","","4295","","10.1039/c2cc33519k","","","0.71073","MoKα","","0.094","0.0626","","","0.146","0.1798","","","","","","1.105","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109180","27.0161","0.0003","15.1255","0.0001","24.3838","0.0003","90","","115.059","0.002","90","","9026.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H111 F12 N3 O18 P2 -","- C84 H111 F12 N3 O18 P2 -","- C336 H444 F48 N12 O72 P8 -","4","1","","Chun-Ju Chuang; Ming-Liang Yen; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Penga; Sheng-Hsien Chiu","Observation of face-to-face host-guest associated states prior to threading of dialkylammonium ions into the DB24C8-like openings of a molecular cage","Chem.Commun.","2013","49","","4199","","10.1039/c2cc34669a","","","1.54178","CuKα","","0.1745","0.1497","","","0.3483","0.3669","","","","","","1.124","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109181","14.65","0.0004","15.8479","0.0004","23.0752","0.0007","90","","104.64","0.003","90","","5183.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C101 H128 F12 N6 O20 P2 -","- C101 H128 F12 N6 O20 P2 -","- C202 H256 F24 N12 O40 P4 -","2","0.5","","Chun-Ju Chuang; Ming-Liang Yen; Chien-Chen Lai; Yi-Hung Liu; Shie-Ming Penga; Sheng-Hsien Chiu","Observation of face-to-face host-guest associated states prior to threading of dialkylammonium ions into the DB24C8-like openings of a molecular cage","Chem.Commun.","2013","49","","4199","","10.1039/c2cc34669a","","","1.54178","CuKα","","0.1138","0.0987","","","0.2554","0.2675","","","","","","1.198","","","","has coordinates,has disorder","180195","2020-10-21","18:00:00",""
"7109182","10.398","0.002","12.489","0.003","24.239","0.005","90","","100.067","0.007","90","","3099.2","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H34 N6 O2 -","- C28 H22 N6 O2 -","- C112 H88 N24 O8 -","4","1","","Suman Samai; Prabir Ghosha; Kumar Biradha","Does crystal or gel matter to stereochemistry of a reaction? Silver complexation-promoted solid-state [2+2] reaction of an unsymmetrical olefin","Chem.Commun.","2013","49","","4181","","10.1039/c2cc34901a","","","0.71073","MoKα","","0.1691","0.0763","","","0.1898","0.2358","","","","","","0.547","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109183","7.75","0.002","19.835","0.005","10.502","0.003","90","","99.438","0.009","90","","1592.5","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Ag N4 O4 -","- C15 H14 Ag N4 O4 -","- C60 H56 Ag4 N16 O16 -","4","1","","Suman Samai; Prabir Ghosha; Kumar Biradha","Does crystal or gel matter to stereochemistry of a reaction? Silver complexation-promoted solid-state [2+2] reaction of an unsymmetrical olefin","Chem.Commun.","2013","49","","4181","","10.1039/c2cc34901a","","","0.71073","MoKα","","0.2042","0.0742","","","0.1487","0.1902","","","","","","0.836","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109184","12.2782","0.0016","13.2135","0.0017","14.5513","0.0018","112.161","0.004","90.663","0.004","112.966","0.004","1977.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28.66667 H30 N6 O3.33333 -","- C28.6667 H24.6667 N6 O3.33333 -","- C86 H74 N18 O10 -","3","1.5","","Suman Samai; Prabir Ghosha; Kumar Biradha","Does crystal or gel matter to stereochemistry of a reaction? Silver complexation-promoted solid-state [2+2] reaction of an unsymmetrical olefin","Chem.Commun.","2013","49","","4181","","10.1039/c2cc34901a","","","0.71073","MoKα","","0.0933","0.0604","","","0.1828","0.1965","","","","","","1.223","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7109185","14.917","0.006","13.821","0.005","20.851","0.008","90","","90.191","0.007","90","","4299","3","","","100","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C52.5 H123 Co I O31.5 Ti11 -","- C52.5 H119 Co I O31.5 Ti11 -","- C105 H238 Co2 I2 O63 Ti22 -","2","1","","Yi-Hsuan Lai; Chia-Yu Lin; Yaokang Lv; Timothy King; Alexander Steiner; Nicoleta Muresan; LiHua Gan; Dominic Wright; Erwin Reisner","Facile assembly of an efficient CoOx water oxidation electrocatalyst from Co-containing polyoxotitanate nanocages","Chem. Commun.","2013","49","","4331","","10.1039/c2cc34934e","","","0.71073","MoKα","","0.142","0.0751","","","0.1824","0.225","","","","","","0.748","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109187","13.7923","0.0007","5.9508","0.0003","19.9335","0.0011","90","","100.54","0.001","90","","1608.44","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl N3 O6 -","- C15 H14 Cl N3 O6 -","- C60 H56 Cl4 N12 O24 -","4","1","","Xin Su; Matthew D. Liptak; Ivan Aprahamian","Water soluble triazolopyridiniums as tunable blue light emitters","Chem.Commun.","2013","49","","4160","","10.1039/c2cc34976k","","x-ray","0.71073","MoKα","","0.0468","0.0401","","","0.111","0.1178","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109188","10.2176","0.0015","10.4839","0.0015","12.215","0.0017","90","","92.507","0.003","90","","1307.2","0.3","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","2,7-dimethylcyclopenta[hi]aceanthrylene","","- C20 H14 -","- C20 H14 -","- C80 H56 -","4","1","","Hai Xia; Danqing Liu; Xiaomin Xua; Qian Miao","Ambipolar organic semiconductors from electron-accepting cyclopenta-fused anthracene","Chem.Commun.","2013","49","","4301","","10.1039/c2cc34992b","","","0.71073","MoKα","","0.1124","0.0581","","","0.146","0.1835","","","","","","1.001","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109189","6.1885","0.001","6.8198","0.0012","16.531","0.003","82.438","0.003","87.22","0.003","63.216","0.003","617.36","0.19","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","2,7-bis((trimethylsilyl)ethynyl)cyclopenta[hi]aceanthrylene","","- C28 H26 Si2 -","- C28 H26 Si2 -","- C28 H26 Si2 -","1","0.5","","Hai Xia; Danqing Liu; Xiaomin Xua; Qian Miao","Ambipolar organic semiconductors from electron-accepting cyclopenta-fused anthracene","Chem.Commun.","2013","49","","4301","","10.1039/c2cc34992b","","","0.71073","MoKα","","0.0773","0.0619","","","0.1694","0.1875","","","","","","1.014","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109190","4.8931","0.0007","10.3024","0.0015","11.9639","0.0018","85.254","0.003","80.129","0.003","86.958","0.003","591.68","0.15","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","1,2,6,7-tetrapropylcyclopenta[hi]aceanthrylene","","- C30 H34 -","- C30 H34 -","- C30 H34 -","1","0.5","","Hai Xia; Danqing Liu; Xiaomin Xua; Qian Miao","Ambipolar organic semiconductors from electron-accepting cyclopenta-fused anthracene","Chem.Commun.","2013","49","","4301","","10.1039/c2cc34992b","","","0.71073","MoKα","","0.1239","0.06","","","0.1362","0.1768","","","","","","0.99","","","","has coordinates","180195","2020-10-21","18:00:00",""
"7109191","13.6949","0.0008","20.9745","0.0012","21.5785","0.0012","97.813","0.003","91.737","0.003","104.989","0.003","5917.9","0.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C57 H97 Co N7 O1.5 P3 Zr -","- C57 H97 Co N7 O1.5 P3 Zr -","- C228 H388 Co4 N28 O6 P12 Zr4 -","4","2","","J. W. Napoline; Mark W. Bezpalko; Bruce M. Foxmana; Christine M. Thomas","N-H activation of hydrazines by a heterobimetallic Zr-Co complex: promotion of one-electron chemistry at Zr","Chem.Commun.","2013","49","","4388","","10.1039/c2cc35594a","","","0.71073","MoKα","","0.0711","0.0477","","0.124","0.1134","0.124","","","","","","0.974","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109192","12.1683","0.0004","12.8589","0.0004","17.2789","0.0005","97.355","0.001","96.206","0.001","94.278","0.002","2654.94","0.14","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H88 Co N7 O P3 Zr -","- C49 H88 Co N7 O P3 Zr -","- C98 H176 Co2 N14 O2 P6 Zr2 -","2","1","","J. W. Napoline; Mark W. Bezpalko; Bruce M. Foxmana; Christine M. Thomas","N-H activation of hydrazines by a heterobimetallic Zr-Co complex: promotion of one-electron chemistry at Zr","Chem.Commun.","2013","49","","4388","","10.1039/c2cc35594a","","","0.71073","MoKα","","0.0352","0.0265","","0.0655","0.0615","0.0655","","","","","","0.9711","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109193","12.4014","0.001","12.4582","0.001","21.3579","0.0016","94.279","0.004","98.424","0.004","114.23","0.005","2943.2","0.4","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H93 Co N6 O0.5 P3 Zr -","- C59 H93 Co N6 O0.5 P3 Zr -","- C118 H186 Co2 N12 O P6 Zr2 -","2","1","","J. W. Napoline; Mark W. Bezpalko; Bruce M. Foxmana; Christine M. Thomas","N-H activation of hydrazines by a heterobimetallic Zr-Co complex: promotion of one-electron chemistry at Zr","Chem.Commun.","2013","49","","4388","","10.1039/c2cc35594a","","","0.71073","MoKα","","0.0739","0.0441","","0.0896","0.0807","0.0896","","","","","","0.9512","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109194","28.301","0.002","20.495","0.002","18.0924","0.0013","90","","105.211","0.007","90","","10126.5","1.5","100","","100","","","","","","","","dichloromethane, diethylether","7","C 1 2/c 1","-C 2yc","15","","Bis(2-(ethoxycarbonyl)-3-(diphenylsulfanylidene)-3H-indole)-palladium- dicarbonyl tri-dichloromethane solute","","- C49 H44 Cl8 N2 O4 Pd S2 -","- C49 H44 Cl8 N2 O4 Pd S2 -","- C392 H352 Cl64 N16 O32 Pd8 S16 -","8","1","","Xueliang Huang; Richard Goddard; Nuno Maulide","Facile carbon-sulfur bond cleavage in diarylsulfonium ylides: a catalytic sulfur-to-silicon group transfer","Chem.Commun.","2013","49","","4292","","10.1039/c2cc35762c","","","0.71073","MoKα","","0.1162","0.0799","","","0.212","0.23","","","","","","1.53","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109195","13.6299","0.0011","15.6457","0.0013","18.9753","0.0015","90","","101.772","0.002","90","","3961.4","0.6","100","","100","","","","","","","","dichloromethane,ether","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 F6 N4 O7 S2 -","- C32 H56 F6 N4 O7 S2 -","- C128 H224 F24 N16 O28 S8 -","4","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","Mo-Kα","","0.0481","0.0372","","","0.1023","0.1103","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109196","15.9281","0.0017","16.791","0.003","29.68","0.002","90","","90","","90","","7937.9","1.7","100","","100","","","","","","","","Dichloromethane,ether","7","P b c a","-P 2ac 2ab","61","","","","- C31 H58 B2 Cl2 F8 N4 S -","- C31 H58 B2 Cl2 F8 N4 S -","- C248 H464 B16 Cl16 F64 N32 S8 -","8","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","MoKα","","0.0959","0.0464","","","0.1007","0.1178","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109197","16.003","0.0006","16.9693","0.0007","29.6752","0.0012","90","","90","","90","","8058.6","0.6","100","","100","","","","","","","","dichloromethane,diethylether","7","P b c a","-P 2ac 2ab","61","","","","- C31 H58 B2 Cl2 F8 N4 Se -","- C31 H58 B2 Cl2 F8 N4 Se -","- C248 H464 B16 Cl16 F64 N32 Se8 -","8","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","1.54184","Cu-Kα","","0.0318","0.0301","","","0.0747","0.0756","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109198","10.1055","0.0015","16.1466","0.0018","25.67","0.003","90","","90","","90","","4188.6","0.9","150","","150","","","","","","","","dichloromethane, pentane","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H56 F6 N4 O6 S3 -","- C32 H56 F6 N4 O6 S3 -","- C128 H224 F24 N16 O24 S12 -","4","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","MoKα","","0.0697","0.0557","","","0.1273","0.1369","","","","","","1.08","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109199","15.536","0.002","18.1269","0.0015","32.831","0.004","90","","90","","90","","9245.9","1.8","100","","100","","","","","","","","dichlormethane,diethylether","8","P b c a","-P 2ac 2ab","61","","","","- C33 H58 Cl2 F6 N4 O6 S2 Te -","- C33 H58 Cl2 F6 N4 O6 S2 Te -","- C264 H464 Cl16 F48 N32 O48 S16 Te8 -","8","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","MoKα","","0.0741","0.0559","","","0.1227","0.1299","","","","","","1.151","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109200","11.7908","0.0007","15.1239","0.0006","13.0853","0.0003","90","","100.497","0.004","90","","2294.36","0.17","100","","100","","","","","","","","dichloromethane,diethylether","6","C 1 c 1","C -2yc","9","","","","- C21 H33 B F4 N2 S -","- C21 H33 B F4 N2 S -","- C84 H132 B4 F16 N8 S4 -","4","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","MoKα","","0.0566","0.0427","","","0.0964","0.1067","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109201","20.585","0.003","14.897","0.002","27.925","0.004","90","","100.8","0.003","90","","8412","2","100","","100","","","","","","","","dichloromethane,diethylether","9","P 1 21/c 1","-P 2ybc","14","","","","- C80 H99.5 B2 Cl4 F8 N4 P2 Pd2 S2 -","- C80 H99.5 B2 Cl4 F8 N4 P2 Pd2 S2 -","- C320 H398 B8 Cl16 F32 N16 P8 Pd8 S8 -","4","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","Mo-Kα","","0.0538","0.0421","","","0.1042","0.1153","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109202","17.3202","0.0018","15.5062","0.0009","21.766","0.0016","90","","94.972","0.005","90","","5823.7","0.8","100","","100","","","","","","","","dichloromethane,ether","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H63 B F4 N2 P2 Pt S -","- C57 H63 B F4 N2 P2 Pt S -","- C228 H252 B4 F16 N8 P8 Pt4 S4 -","4","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","MoKα","","0.057","0.0428","","","0.1081","0.1146","","","","","","1.121","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109203","10.4351","0.0012","16.4154","0.0016","16.7476","0.0003","76.054","0.004","89.013","0.004","84.58","0.005","2771.7","0.4","100","","100","","","","","","","","dichloromethane,diethylether","9","P -1","-P 1","2","","","","- C58 H65 B Cl2 F4 N2 P2 Pt Se -","- C58 H65 B Cl2 F4 N2 P2 Pt Se -","- C116 H130 B2 Cl4 F8 N4 P4 Pt2 Se2 -","2","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","MoKα","","0.0281","0.0235","","","0.0567","0.0587","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109204","15.433","0.0004","11.7351","0.0003","12.8692","0.0003","90","","90","","90","","2330.71","0.1","100","","100","","","","","","","","dichlormethane,ether","6","P c a 21","P 2c -2ac","29","","","","- C21 H33 B F4 N2 Se -","- C21 H33 B F4 N2 Se -","- C84 H132 B4 F16 N8 Se4 -","4","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","1.54184","Cu-Kα","","0.0293","0.0275","","","0.0638","0.0649","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109205","20.978","0.003","14.8026","0.0018","28.165","0.003","90","","101.328","0.002","90","","8575.7","1.9","100","","100","","","","","","","","dichloromethane,pentane","9","P 1 21/c 1","-P 2ybc","14","","","","- C78.5 H92 B2 Cl F8 N4 P2 Pd2 Se2 -","- C78.5 H92 B2 Cl F8 N4 P2 Pd2 Se2 -","- C314 H368 B8 Cl4 F32 N16 P8 Pd8 Se8 -","4","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","Mo-Kα","","0.0715","0.0484","","","0.1384","0.1487","","","","","","1.098","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109206","11.5251","0.0006","14.7912","0.0005","13.2009","0.0005","90","","98.893","0.003","90","","2223.31","0.16","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H33 B F4 N2 O -","- C21 H33 B F4 N2 O -","- C84 H132 B4 F16 N8 O4 -","4","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","MoKα","","0.0393","0.034","","","0.0912","0.0943","","","","","","1.129","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109207","15.5383","0.0011","11.8089","0.0006","12.917","0.0002","90","","90","","90","","2370.1","0.2","100","","100","","","","","","","","dichlormethane","6","P c a 21","P 2c -2ac","29","","","","- C21 H33 B F4 N2 Te -","- C21 H33 B F4 N2 Te -","- C84 H132 B4 F16 N8 Te4 -","4","1","","Agnes Kozma; Jekaterina Petuskova; Christian W. Lehmann; Manuel Alcarazo","Synthesis, structure and reactivity of cyclopropenyl-1-ylidene stabilized S(II), Se(II) and Te(II) mono- and dications","Chem.Commun.","2013","49","","4145","","10.1039/c2cc36225b","","","0.71073","MoKα","","0.0289","0.0243","","","0.0621","0.0688","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109208","7.588","0.002","10.733","0.003","10.934","0.003","90","","102.039","0.006","90","","870.9","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H17 Br N2 O4 S -","- C17 H17 Br N2 O4 S -","- C34 H34 Br2 N4 O8 S2 -","2","1","","Ling Zhou; Daniel Weiliang Tay; Jie Chen; Gulice Yiu Chung Leung; Ying-Yeung Yeung","Enantioselective synthesis of 2-substituted and 3-substituted piperidines through a bromoaminocyclization process","Chem.Commun.","2013","49","","4412","","10.1039/c2cc36578b","","","0.71073","MoKα","","0.0269","0.0257","","","0.0672","0.0691","","","","","","1.063","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109209","14.476","0.007","7.111","0.004","16.113","0.008","90","","101.412","0.009","90","","1625.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O5 S -","- C17 H18 N2 O5 S -","- C68 H72 N8 O20 S4 -","4","1","","Ling Zhou; Daniel Weiliang Tay; Jie Chen; Gulice Yiu Chung Leung; Ying-Yeung Yeung","Enantioselective synthesis of 2-substituted and 3-substituted piperidines through a bromoaminocyclization process","Chem.Commun.","2013","49","","4412","","10.1039/c2cc36578b","","","0.71073","MoKα","","0.0862","0.0631","","","0.1552","0.1712","","","","","","1.05","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109210","31.206","0.006","32.079","0.006","20.393","0.004","90","","106.7","0.03","90","","19554","7","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C150 H141 Cu30 I16 N27 S16 -","- C150 H132 Cu30 I16 N27 S16 -","- C600 H528 Cu120 I64 N108 S64 -","4","0.5","","Hong-Xi Li; Wei Zhao; Hai-Yan Li; Zhong-Lin Xu; Wen-Xia Wang; Jian-Ping Lang","Cu30I16(mtpmt)12(mu10‒S4)]: an unusual 30‒membered copper(I) cluster derived from the C-S bond cleavage and its use in heterogeneous catalysis","Chem.Commun.","2013","49","","4259","","10.1039/c2cc36736j","","","0.71073","MoKα","","0.1243","0.093","","","0.2289","0.254","","","","","","1.171","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109211","13.591","0.003","26.495","0.005","7.4948","0.0015","90","","96.05","0.03","90","","2683.8","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H47 Cu2 I2 N9 S2 -","- C50 H44 Cu2 I2 N9 S2 -","- C100 H88 Cu4 I4 N18 S4 -","2","0.5","","Hong-Xi Li; Wei Zhao; Hai-Yan Li; Zhong-Lin Xu; Wen-Xia Wang; Jian-Ping Lang","Cu30I16(mtpmt)12(mu10‒S4)]: an unusual 30‒membered copper(I) cluster derived from the C-S bond cleavage and its use in heterogeneous catalysis","Chem.Commun.","2013","49","","4259","","10.1039/c2cc36736j","","","0.71073","MoKα","","0.0823","0.0596","","","0.1356","0.1471","","","","","","1.112","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109212","9.2606","0.0019","11.579","0.002","14.14","0.003","83.58","0.03","80.89","0.03","78.86","0.03","1463.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H47 Cu4 I4 N9 S4 -","- C50 H47 Cu4 I4 N9 S4 -","- C50 H47 Cu4 I4 N9 S4 -","1","0.5","","Hong-Xi Li; Wei Zhao; Hai-Yan Li; Zhong-Lin Xu; Wen-Xia Wang; Jian-Ping Lang","Cu30I16(mtpmt)12(mu10‒S4)]: an unusual 30‒membered copper(I) cluster derived from the C-S bond cleavage and its use in heterogeneous catalysis","Chem.Commun.","2013","49","","4259","","10.1039/c2cc36736j","","","0.71073","MoKα","","0.0869","0.0598","","","0.1416","0.1584","","","","","","1.075","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109213","27.694","0.004","13.392","0.0018","18.751","0.003","90","","90.182","0.002","90","","6954.3","1.8","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H66 Cu6 N12 S6 -","- C72 H66 Cu6 N12 S6 -","- C288 H264 Cu24 N48 S24 -","4","0.5","","Hong-Xi Li; Wei Zhao; Hai-Yan Li; Zhong-Lin Xu; Wen-Xia Wang; Jian-Ping Lang","Cu30I16(mtpmt)12(mu10‒S4)]: an unusual 30‒membered copper(I) cluster derived from the C-S bond cleavage and its use in heterogeneous catalysis","Chem.Commun.","2013","49","","4259","","10.1039/c2cc36736j","","","0.71075","MoKα","","0.0526","0.0373","","","0.0775","0.0843","","","","","","0.996","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109214","11.103","0.0005","13.3614","0.0005","16.2115","0.0007","90","","95.795","0.001","90","","2392.71","0.17","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 B N3 O5 Zn -","- C22 H30 B N3 O5 Zn -","- C88 H120 B4 N12 O20 Zn4 -","4","1","","Debabrata Mukherjee; Nicole L. Lampland; KaKing Yan; James F. Dunne; Arkady Ellern; Aaron D. Sadow","Divergent reaction pathways of tris(oxazolinyl)borato zinc and magnesium silyl compounds","Chem.Commun.","2013","49","","4334","","10.1039/c2cc36953b","","","0.71073","MoKα","","0.0467","0.0307","","","0.0699","0.0765","","","","","","1.008","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109215","9.5","0.002","26.648","0.006","22.844","0.005","90","","97.235","0.003","90","","5737","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H76 B2 Mg2 N6 O8 -","- C56 H76 B2 Mg2 N6 O8 -","- C224 H304 B8 Mg8 N24 O32 -","4","0.5","","Debabrata Mukherjee; Nicole L. Lampland; KaKing Yan; James F. Dunne; Arkady Ellern; Aaron D. Sadow","Divergent reaction pathways of tris(oxazolinyl)borato zinc and magnesium silyl compounds","Chem.Commun.","2013","49","","4334","","10.1039/c2cc36953b","","","0.71073","MoKα","","0.058","0.0403","","","0.1001","0.1105","","","","","","1.002","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109216","9.4488","0.0012","27.824","0.004","13.611","0.0018","90","","93.087","0.002","90","","3573.2","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H47 B N3 O3 Si4 Zn -","- C27 H47 B N3 O3 Si4 Zn -","- C108 H188 B4 N12 O12 Si16 Zn4 -","4","1","","Debabrata Mukherjee; Nicole L. Lampland; KaKing Yan; James F. Dunne; Arkady Ellern; Aaron D. Sadow","Divergent reaction pathways of tris(oxazolinyl)borato zinc and magnesium silyl compounds","Chem.Commun.","2013","49","","4334","","10.1039/c2cc36953b","","","0.71073","MoKα","","0.0612","0.0471","","","0.1285","0.1388","","","","","","1.036","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109217","10.242","0.004","11.576","0.004","17.786","0.007","92.073","0.006","106.24","0.006","103.685","0.006","1955.2","1.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H56 B N3 O3 Si4 Zn -","- C30 H56 B N3 O3 Si4 Zn -","- C60 H112 B2 N6 O6 Si8 Zn2 -","2","1","","Debabrata Mukherjee; Nicole L. Lampland; KaKing Yan; James F. Dunne; Arkady Ellern; Aaron D. Sadow","Divergent reaction pathways of tris(oxazolinyl)borato zinc and magnesium silyl compounds","Chem.Commun.","2013","49","","4334","","10.1039/c2cc36953b","","","0.71073","MoKα","","0.0973","0.0468","","","0.0783","0.0919","","","","","","0.966","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109218","8.1317","0.0016","20.856","0.004","8.7162","0.0017","90","","101.63","0.03","90","","1447.9","0.5","108","2","108","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O S5 -","- C13 H10 N2 O S5 -","- C52 H40 N8 O4 S20 -","4","1","","Muhammad Zubair; Ashta Chandra Ghosh; Carola Schulzke","The unexpected and facile molybdenum mediated formation of tri- and tetracyclic pentathiepins from pyrazine-alkynes and sulfur","Chem.Commun.","2013","49","","4343","","10.1039/c2cc37025e","","","0.71073","MoKα","","0.0504","0.0444","","","0.1434","0.1775","","","","","","1.152","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109219","9.2657","0.0001","11.9222","0.0001","12.639","0.0001","91.959","0.001","105.176","0.001","91.687","0.001","1345.65","0.02","180","2","180","2","","","","","","","synthesis as described","7","P -1","-P 1","2","Mattson 1839","","","- C22 H25 F9 N4 O4 Pd S -","- C22 H25 F9 N4 O4 Pd S -","- C44 H50 F18 N8 O8 Pd2 S2 -","2","1","","David M. Nickerson; Veronica V. Angeles; Tyler J. Auvil; Sonia S. Soa; Anita E. Mattson","Internal Lewis acid assisted ureas: tunable hydrogen bond donor catalysts","Chem.Commun.","2013","49","","4289","","10.1039/c2cc37073e","","x-ray","0.71073","MoKα","","0.0333","0.0263","","","0.0602","0.0629","","","","","","1.061","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109220","12.2794","0.0001","14.2125","0.0001","15.6044","0.0001","75.313","0.001","82.87","0.001","73.442","0.001","2521.12","0.04","150","2","150","2","","","","","","","synthesis as described","8","P -1","-P 1","2","Mattson 1854","","","- C53 H42 F9 N2 O4.5 P2 Pt S -","- C53 H41.5 F9 N2 O4.5 P2 Pt S -","- C106 H83 F18 N4 O9 P4 Pt2 S2 -","2","1","","David M. Nickerson; Veronica V. Angeles; Tyler J. Auvil; Sonia S. Soa; Anita E. Mattson","Internal Lewis acid assisted ureas: tunable hydrogen bond donor catalysts","Chem.Commun.","2013","49","","4289","","10.1039/c2cc37073e","","x-ray","0.71073","MoKα","","0.0374","0.029","","","0.07","0.0732","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109221","17.9255","0.0005","9.5117","0.0002","24.5699","0.0008","90","","102.966","0.003","90","","4082.4","0.2","173","0.14","173","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 N O4 S -","- C23 H21 N O4 S -","- C184 H168 N8 O32 S8 -","8","1","","Hui Qian; Wanxiang Zhao; Herman H-Y. Sung; Ian D. Williams; Jianwei Sun","Stereoselective synthesis of aminoindanols via an efficient cascade aza-Michael-aldol reaction","Chem.Commun.","2013","49","","4361","","10.1039/c2cc37102b","","x-ray","0.7107","MoKα","","0.0588","0.048","","","0.1015","0.1079","","","","","","1.005","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109222","5.2087","0.0002","10.6761","0.0004","31.3923","0.0011","90","","90","","90","","1745.68","0.11","173","0.14","173","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C80 H76 N4 O8 S4 -","4","1","","Hui Qian; Wanxiang Zhao; Herman H-Y. Sung; Ian D. Williams; Jianwei Sun","Stereoselective synthesis of aminoindanols via an efficient cascade aza-Michael-aldol reaction","Chem.Commun.","2013","49","","4361","","10.1039/c2cc37102b","","x-ray","1.5418","CuKα","","0.0412","0.0403","","","0.0922","0.093","","","","","","1.002","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109223","5.687","","10.6636","0.0001","29.8209","0.0002","90","","90","","90","","1808.46","0.02","173","0.14","173","0.14","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Hui Qian; Wanxiang Zhao; Herman H-Y. Sung; Ian D. Williams; Jianwei Sun","Stereoselective synthesis of aminoindanols via an efficient cascade aza-Michael-aldol reaction","Chem.Commun.","2013","49","","4361","","10.1039/c2cc37102b","","x-ray","1.5418","CuKα","","0.0255","0.0254","","","0.0682","0.0682","","","","","","1.006","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109224","14.0959","0.0006","7.5933","0.0003","20.2857","0.0008","90","","104.158","0.004","90","","2105.32","0.15","173","0.14","173","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O2 S -","- C11 H10 N2 O2 S -","- C88 H80 N16 O16 S8 -","8","2","","Hui Qian; Wanxiang Zhao; Herman H-Y. Sung; Ian D. Williams; Jianwei Sun","Stereoselective synthesis of aminoindanols via an efficient cascade aza-Michael-aldol reaction","Chem.Commun.","2013","49","","4361","","10.1039/c2cc37102b","","x-ray","1.5418","CuKα","","0.0616","0.0588","","","0.1546","0.1573","","","","","","1.005","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109225","8.9459","0.0008","9.7232","0.0011","19.392","0.002","99.178","0.004","93.685","0.005","108.562","0.005","1566.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Ge O3 Si3 W -","- C24 H47 Ge O3 Si3 W -","- C48 H94 Ge2 O6 Si6 W2 -","2","1","","Tetsuya Fukuda; Hisako Hashimoto; Hiromi Tobita","Reactions of a tungsten-germylyne complex with alcohols and arylaldehydes","Chem.Commun.","2013","49","","4232","","10.1039/c2cc37126j","","","0.71069","MoKα","","0.0517","0.045","","","0.1158","0.1193","","","","","","1.123","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109226","8.9737","0.0006","25.6747","0.0016","16.6602","0.001","90","","100.478","0.0014","90","","3774.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H54 Ge O4 Si3 W -","- C36 H54 Ge O4 Si3 W -","- C144 H216 Ge4 O16 Si12 W4 -","4","1","","Tetsuya Fukuda; Hisako Hashimoto; Hiromi Tobita","Reactions of a tungsten-germylyne complex with alcohols and arylaldehydes","Chem.Commun.","2013","49","","4232","","10.1039/c2cc37126j","","","0.71069","MoKα","","0.0637","0.0492","","","0.1157","0.1256","","","","","","1.146","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109227","7.823","0.004","9.518","0.005","33.157","0.016","90","","98.469","0.007","90","","2442","2","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Br3 Cu4 N2 S4 -","- C16 H28 Br3 Cu4 N2 S4 -","- C64 H112 Br12 Cu16 N8 S16 -","4","1","","Takashi Okubo; Haruho Anma; Naoya Tanaka; Kento Himoto; Shu Seki; Akinori Saeki; Masahiko Maekawa; Takayoshi Kuroda-Sowa","Crystal structure and carrier transport properties of a new semiconducting 2D coordination polymer with a 3,5-dimethylpiperidine dithiocarbamate ligand","Chem.Commun.","2013","49","","4316","","10.1039/c2cc37137e","","","0.7107","MoKα","","","0.0526","","","","0.0981","","","","","","1.13","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109228","20.9506","0.0003","10.16731","0.00013","16.0497","0.0002","90","","107.343","0.0013","90","","3263.34","0.08","160","1","160","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","HpH~4~Zn(OH~2~).(OTf)~2~","rac-aquatetrahydro-hemiporphyrazinezinc(II) ditriflate","","- C28 H22 F6 N8 O7 S2 Zn -","- C28 H22 F6 N8 O7 S2 Zn -","- C112 H88 F24 N32 O28 S8 Zn4 -","4","0.5","","Sabrina M. Huber; Guillaume Mata; Anthony Linden; Nathan W. Luedtke","Synthesis and structure of a hydrogenated zinc hemiporphyrazine","Chem.Commun.","2013","49","","4280","","10.1039/c2cc37151k","","","0.71073","MoKα","","0.0391","0.0351","","","0.0973","0.1009","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7109229","10.5479","0.0001","12.7584","0.0001","19.3047","0.0002","90","","90","","90","","2597.92","0.04","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H39 Cl O3 -","- C31 H39 Cl O3 -","- C124 H156 Cl4 O12 -","4","1","","Rebecca M. Maksymowicz; Philippe M. C. Roth; Amber L. Thompson; Stephen P. Fletcher","Hydrometallation-asymmetric conjugate addition: application to complex molecule synthesis","Chem.Commun.","2013","49","","4211","","10.1039/c2cc37155c","","","1.5418","CuKα","","0.0278","0.0274","","0.0752","0.0748","0.0752","","","","","","0.9999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109230","11.0872","0.0001","17.1526","0.0003","20.616","0.0003","69.371","0.0008","82.26","0.0008","89.376","0.0006","3632.99","0.09","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C41 H54 N3 O U -","- C41 H54 N3 O U -","- C164 H216 N12 O4 U4 -","4","2","","Dennis P. Cladis; John J. Kiernicki; Phillip E. Fanwick; Suzanne C. Bart","Multi-electron reduction facilitated by a trianionic pyridine(diimine) ligand","Chem.Commun.","2013","49","","4169","","10.1039/c2cc37193f","","","0.71073","MO-Kα","","0.062","0.023","","","0.042","0.046","","","","","","1.018","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109231","18.661","0.0007","22.0109","0.0008","26.2485","0.0007","90","","90.9021","0.0018","90","","10780.1","0.6","150","0.2","150","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H72 N5 O U -","- C60 H72 N5 O U -","- C480 H576 N40 O8 U8 -","8","2","","Dennis P. Cladis; John J. Kiernicki; Phillip E. Fanwick; Suzanne C. Bart","Multi-electron reduction facilitated by a trianionic pyridine(diimine) ligand","Chem.Commun.","2013","49","","4169","","10.1039/c2cc37193f","","","1.54184","CU-Kα","","0.067","0.059","","","0.174","0.183","","","","","","1.062","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109232","21.0603","0.0007","24.5206","0.0008","29.5486","0.001","90","","90","","90","","15259.2","0.9","90","2","90","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C84 H83.88 Al2 N8 O4 -","- C84 H83.884 Al2 N8 O4 -","- C672 H671.072 Al16 N64 O32 -","8","1","","Thomas W. Myers; Louise A. Berben","Redox active aluminium(III) complexes convert CO2 into MgCO3 or CaCO3 in a synthetic cycle using Mg or Ca metal","Chem.Commun.","2013","49","","4175","","10.1039/c2cc37208h","","","1.54178","CuKα","","0.0943","0.0844","","","0.2408","0.2498","","","","","","1.071","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109233","17.839","0.005","21.154","0.005","23.344","0.005","77.33","0.005","71.749","0.005","86.769","0.005","8162","3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C216 H328 N112 O123 Pd14 -","- C216 H328 N112 O123 Pd14 -","- C216 H328 N112 O123 Pd14 -","1","0.5","","Dipak Samanta; Partha Sarathi Mukherjee","Multicomponent self-sorting of a Pd7 molecular boat and its use in catalytic Knoevenagel condensation","Chem.Commun.","2013","49","","4307","","10.1039/c2cc37377g","","","0.71073","MoKα","","0.3142","0.1109","","","0.2734","0.3707","","","","","","0.987","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109234","8.0162","0.0018","8.1741","0.0019","15.789","0.004","90","","90.039","0.004","90","","1034.6","0.4","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 F12 N4 P2 Pd2 -","- C12 H16 F12 N4 P2 Pd2 -","- C24 H32 F24 N8 P4 Pd4 -","2","0.5","","Tetsuro Murahashi; Seita Kimura; Kohei Takase; Sensuke Ogoshi; Koji Yamamoto","Bridging pi-coordination of pyrrole and indole over a PdI-PdI bond","Chem.Commun.","2013","49","","4310","","10.1039/c2cc37554k","","","0.71075","MoKα","","","0.0543","","","","0.136","","","","","","1.099","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109235","7.767","0.0011","10.1048","0.0013","10.6014","0.0016","111.9","0.005","109.527","0.005","90.519","0.004","719.04","0.18","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H26 F12 N6 O4 P2 Pd2 -","- C16 H26 F12 N6 O4 P2 Pd2 -","- C16 H26 F12 N6 O4 P2 Pd2 -","1","0.5","","Tetsuro Murahashi; Seita Kimura; Kohei Takase; Sensuke Ogoshi; Koji Yamamoto","Bridging ?-coordination of pyrrole and indole over a PdI–PdI bond","Chem.Commun.","2013","49","","4310","","10.1039/c2cc37554k","","","0.71075","MoKα","","","0.0301","","","","0.0813","","","","","","1.047","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109236","7.934","0.002","8.982","0.003","9.95","0.003","103.254","0.002","107.386","0.003","101.872","0.002","629.3","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 F12 N4 P2 Pd2 -","- C20 H20 F12 N4 P2 Pd2 -","- C20 H20 F12 N4 P2 Pd2 -","1","0.5","","Tetsuro Murahashi; Seita Kimura; Kohei Takase; Sensuke Ogoshi; Koji Yamamoto","Bridging ?-coordination of pyrrole and indole over a PdI–PdI bond","Chem.Commun.","2013","49","","4310","","10.1039/c2cc37554k","","","0.71075","MoKα","","","0.0336","","","","0.0815","","","","","","1.061","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109237","5.968","0.003","7.465","0.002","33.815","0.012","90","","94.026","0.009","90","","1502.8","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 S2 -","- C20 H14 S2 -","- C80 H56 S8 -","4","1","","Johannes Kaschel; Christian D. Schmidt; Mark Mumby; Daniel Kratzert; Dietmar Stalke; Daniel B. Werz","Donor-acceptor cyclopropanes with Lawesson's and Woollins' reagents: formation of bisthiophenes and unprecedented cage-like molecules","Chem.Commun.","2013","49","","4403","","10.1039/c2cc37631h","","","0.71073","MoKα","","0.0652","0.0508","","","0.1156","0.1221","","","","","","1.139","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109238","17.201","0.006","6.588","0.003","17.859","0.006","90","","98.49","0.02","90","","2001.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F6 O3 S -","- C22 H16 F6 O3 S -","- C88 H64 F24 O12 S4 -","4","1","","Johannes Kaschel; Christian D. Schmidt; Mark Mumby; Daniel Kratzert; Dietmar Stalke; Daniel B. Werz","Donor-acceptor cyclopropanes with Lawesson's and Woollins' reagents: formation of bisthiophenes and unprecedented cage-like molecules","Chem.Commun.","2013","49","","4403","","10.1039/c2cc37631h","","","0.71073","MoKα","","0.0751","0.0643","","","0.1591","0.1659","","","","","","1.095","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109239","5.955","0.002","7.649","0.003","20.48","0.007","90","","95.301","0.009","90","","928.9","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 S2 -","- C10 H10 S2 -","- C40 H40 S8 -","4","1","","Johannes Kaschel; Christian D. Schmidt; Mark Mumby; Daniel Kratzert; Dietmar Stalke; Daniel B. Werz","Donor-acceptor cyclopropanes with Lawesson's and Woollins' reagents: formation of bisthiophenes and unprecedented cage-like molecules","Chem.Commun.","2013","49","","4403","","10.1039/c2cc37631h","","","0.71073","MoKα","","0.0405","0.0341","","","0.0813","0.0846","","","","","","1.132","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109240","6.388","0.003","9.236","0.005","9.469","0.005","73.414","0.002","74.033","0.003","81.773","0.003","513.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 O3 Se -","- C10 H14 O3 Se -","- C20 H28 O6 Se2 -","2","1","","Johannes Kaschel; Christian D. Schmidt; Mark Mumby; Daniel Kratzert; Dietmar Stalke; Daniel B. Werz","Donor-acceptor cyclopropanes with Lawesson's and Woollins' reagents: formation of bisthiophenes and unprecedented cage-like molecules","Chem.Commun.","2013","49","","4403","","10.1039/c2cc37631h","","","0.71073","MoKα","","0.0162","0.016","","","0.0427","0.0428","","","","","","1.158","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109241","16.9476","0.0006","14.5627","0.0005","15.6857","0.0005","90","","116.62","0.001","90","","3460.9","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Br N2 O8 P -","- C35 H38 Br N2 O8 P -","- C140 H152 Br4 N8 O32 P4 -","4","1","","Jun Jiang; Xiaochu Ma; Shunying Liu; Yu Qian; Fengping Lv; Lin Qiu; Xiang Wu; Wenhao Hu","Enantioselective trapping of phosphoramidate ammonium ylides with imino esters for synthesis of 2,3-diaminosuccinic acid derivatives","Chem.Commun.","2013","49","","4238","","10.1039/c3cc36972b","","","0.71073","MoKα","","0.1357","0.0752","","","0.1901","0.2318","","","","","","1.04","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109242","12.6712","0.0012","11.3892","0.0011","16.3973","0.0015","90","","104.7","0.005","90","","2288.9","0.4","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C48.5 H69.6 Cr N6 O2 -","- C42 H54 Cr N6 O2 -","- C84 H108 Cr2 N12 O4 -","2","0.5","","Pei-Fang Wu; Shih-Cheng Liu; Yun-Jen Shieh; Ting-Shen Kuo; Gene-Hsiang Lee; Yu Wang; Yi-Chou Tsai","Divergent reactivity of nitric oxide with metal-metal quintuple bonds","Chem.Commun.","2013","49","","4391","","10.1039/c3cc37118b","","","0.71073","MoKα","","0.1235","0.0801","","","0.2343","0.2553","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109243","19.5267","0.0005","17.9584","0.0005","14.7203","0.0005","90","","97.636","0.001","90","","5116.2","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46.9 H59.6 Cr2 N10 O8 -","- C42 H54 Cr2 N10 O8 -","- C168 H216 Cr8 N40 O32 -","4","0.5","","Pei-Fang Wu; Shih-Cheng Liu; Yun-Jen Shieh; Ting-Shen Kuo; Gene-Hsiang Lee; Yu Wang; Yi-Chou Tsai","Divergent reactivity of nitric oxide with metal-metal quintuple bonds","Chem.Commun.","2013","49","","4391","","10.1039/c3cc37118b","","","0.71073","MoKα","","0.1189","0.0853","","","0.2428","0.262","","","","","","1.095","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109244","24.1046","0.0014","10.2903","0.0006","22.6641","0.0013","90","","107.516","0.001","90","","5361","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H78 Cr2 N8 O6 -","- C54 H78 Cr2 N8 O6 -","- C216 H312 Cr8 N32 O24 -","4","0.5","","Pei-Fang Wu; Shih-Cheng Liu; Yun-Jen Shieh; Ting-Shen Kuo; Gene-Hsiang Lee; Yu Wang; Yi-Chou Tsai","Divergent reactivity of nitric oxide with metal-metal quintuple bonds","Chem.Commun.","2013","49","","4391","","10.1039/c3cc37118b","","","0.71073","MoKα","","0.0795","0.0732","","","0.171","0.1751","","","","","","1.1","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109245","13.5514","0.0013","13.6186","0.0013","34.248","0.003","90","","99.118","0.002","90","","6240.6","1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66.2 H87.8 Mo2 N6 O4 -","- C62 H78 Mo2 N6 O4 -","- C248 H312 Mo8 N24 O16 -","4","1","","Pei-Fang Wu; Shih-Cheng Liu; Yun-Jen Shieh; Ting-Shen Kuo; Gene-Hsiang Lee; Yu Wang; Yi-Chou Tsai","Divergent reactivity of nitric oxide with metal-metal quintuple bonds","Chem.Commun.","2013","49","","4391","","10.1039/c3cc37118b","","","0.71073","MoKα","","0.0489","0.0378","","","0.1027","0.1071","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109249","10.136","0.002","10.2","0.002","10.494","0.002","61.219","0.004","74.534","0.005","80.977","0.005","916","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H44 N6 O2 -","- C46 H44 N6 O2 -","- C46 H44 N6 O2 -","1","0.5","","Swee Ling Lam; Xiaoqian Liu; Fangli Zhao; Chi-Lik Ken Lee; Wei Lek Kwan","Manipulating open-circuit voltage in an organic photovoltaic device via a phenylalkyl side chain","Chem.Commun.","2013","49","","4543","","10.1039/c3cc40403j","","","0.71073","MoKα","","0.0578","0.0443","","","0.1195","0.1235","","","","","","1.079","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109250","10.125","0.009","10.347","0.009","11.204","0.009","104.475","0.015","94.514","0.017","104.237","0.016","1089.2","1.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H48 N6 O2 -","- C56 H48 N6 O2 -","- C56 H48 N6 O2 -","1","0.5","","Swee Ling Lam; Xiaoqian Liu; Fangli Zhao; Chi-Lik Ken Lee; Wei Lek Kwan","Manipulating open-circuit voltage in an organic photovoltaic device via a phenylalkyl side chain","Chem.Commun.","2013","49","","4543","","10.1039/c3cc40403j","","","0.71073","MoKα","","0.2305","0.1413","","","0.3114","0.3628","","","","","","1.02","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109251","10.2909","0.0006","22.2679","0.0011","12.5448","0.0008","90","","106.708","0.005","90","","2753.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H14 F8 N2 -","- C35 H14 F8 N2 -","- C140 H56 F32 N8 -","4","1","","Evgeny Tatarov; Thomas Reichert; Tobat P. I. Saragi; Ayna Scheffler; Roman Ueberschaer; Clemens Bruhn; Thomas Fuhrmann-Lieker; Josef Salbeck","Photoinduced sign change of the magnetoresistance in field-effect transistors based on a bipolar molecular glass","Chem.Commun.","2013","49","","4564","","10.1039/c3cc40552d","","","0.71073","MoKα","","0.0596","0.049","","","0.131","0.1378","","","","","","1.003","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109252","16.1222","0.0009","16.8188","0.001","17.5167","0.001","106.194","0.004","93.136","0.005","90.734","0.005","4552.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H32 F8 N4 -","- C59 H32 F8 N4 -","- C236 H128 F32 N16 -","4","2","","Evgeny Tatarov; Thomas Reichert; Tobat P. I. Saragi; Ayna Scheffler; Roman Ueberschaer; Clemens Bruhn; Thomas Fuhrmann-Lieker; Josef Salbeck","Photoinduced sign change of the magnetoresistance in field-effect transistors based on a bipolar molecular glass","Chem.Commun.","2013","49","","4564","","10.1039/c3cc40552d","","","0.71073","MoKα","","0.0613","0.0363","","","0.0794","0.0849","","","","","","0.879","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109253","14.1657","0.0006","17.9898","0.0006","23.0292","0.0008","90","","90.717","0.003","90","","5868.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H12 Br2 F8 N2 -","- C35 H12 Br2 F8 N2 -","- C280 H96 Br16 F64 N16 -","8","2","","Evgeny Tatarov; Thomas Reichert; Tobat P. I. Saragi; Ayna Scheffler; Roman Ueberschaer; Clemens Bruhn; Thomas Fuhrmann-Lieker; Josef Salbeck","Photoinduced sign change of the magnetoresistance in field-effect transistors based on a bipolar molecular glass","Chem.Commun.","2013","49","","4564","","10.1039/c3cc40552d","","","0.71073","MoKα","","0.0939","0.0809","","","0.2164","0.2266","","","","","","1","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109254","13.49507","0.00045","15.15724","0.00038","19.09638","0.00069","90","","107.142","0.0022","90","","3732.6","0.2","298","2","298","2","","","","","","","commercial","3","P 1 21/n 1","-P 2yn","14","PCBM","","","- C72 H14 O2 -","- C72 H14 O2 -","- C288 H56 O8 -","4","1","","Mose Casalegno; Stefano Zanardi; Francesco Frigerio; Riccardo Po; Chiara Carbonera; Gianluigi Marra; Tommaso Nicolini; Guido Raos; Stefano Valdo Meille","Solvent-free phenyl-C61-butyric acid methyl ester (PCBM) from clathrates: insights for organic photovoltaics from crystal structures and molecular dynamics","Chem.Commun.","2013","49","","4525","","10.1039/c3cc40863a","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109255","11.123","0.002","11.397","0.002","18.288","0.004","89.57","0.03","75.48","0.03","80.19","0.03","2210","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46.5 H38 Cl N O3 P2 Ru -","- C46.5 H38 Cl N O3 P2 Ru -","- C93 H76 Cl2 N2 O6 P4 Ru2 -","2","1","","Manas Kumar Biswas; Sarat Chandra Patra; Amarendra Nath Maity; Shyue-Chu Ke; Thomas Weyhermullerc; Prasanta Ghosh","Asymmetric cleavage of 2,2'-pyridil to a picolinic acid anion radical coordinated to ruthenium(II): splitting of water to hydrogen","Chem.Commun.","2013","49","","4522","","10.1039/c3cc40956b","","","0.71073","MoKα","","0.1243","0.0765","","","0.1941","0.2413","","","","","","1.14","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109256","6.4044","0.0005","9.3965","0.0006","10.5878","0.0007","65.76","0.003","86.256","0.003","84.669","0.003","578.21","0.07","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","- C26 H32 N2 O2 -","1","1","","Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini","Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6","Chem.Commun.","2013","49","","4468","","10.1039/c3cc41140k","","","0.71073","MoKα","","0.0979","0.0735","","","0.205","0.2271","","","","","","1.029","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109257","22.0656","0.0006","22.0656","0.0006","15.273","0.0007","90","","90","","90","","7436.3","0.4","173","2","173","2","","","","","","","","8","P 4","P 4","75","","","","- C51 H59 Cl9 F6 N4 O4 Si Zn -","- C51 H41 Cl9 F6 N4 O4 Si Zn -","- C204 H164 Cl36 F24 N16 O16 Si4 Zn4 -","4","1","","Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini","Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6","Chem.Commun.","2013","49","","4468","","10.1039/c3cc41140k","","","0.71073","MoKα","","0.198","0.1136","","","0.4063","0.4329","","","","","","1.27","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109258","22.0927","0.0004","22.0927","0.0004","15.2503","0.0005","90","","90","","90","","7443.5","0.3","173","2","173","2","","","","","","","","8","I 4","I 4","79","","","","- C54 H66 Cl6 F6 N4 O4 Si Zn -","- C54 H30 Cl6 F6 N4 O4 Si Zn -","- C216 H120 Cl24 F24 N16 O16 Si4 Zn4 -","4","0.5","","Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini","Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6","Chem.Commun.","2013","49","","4468","","10.1039/c3cc41140k","","","0.71073","MoKα","","0.1059","0.0685","","","0.1842","0.1964","","","","","","1.03","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109259","22.044","0.0015","22.044","0.0015","15.1513","0.0018","90","","90","","90","","7362.6","1.1","173","2","173","2","","","","","","","","8","P 4","P 4","75","","","","- C45 H49 Cl3 F6 N4 O8 Si Zn -","- C45 H49 Cl3 F6 N4 O8 Si Zn -","- C180 H196 Cl12 F24 N16 O32 Si4 Zn4 -","4","1","","Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini","Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6","Chem.Commun.","2013","49","","4468","","10.1039/c3cc41140k","","","0.71073","MoKα","","0.2082","0.0931","","","0.2261","0.2511","","","","","","1.041","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109260","10.971","0.0007","7.7678","0.0004","11.9253","0.0008","90","","104.942","0.001","90","","981.92","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O4 -","- C22 H24 N2 O4 -","- C44 H48 N4 O8 -","2","1","","Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini","Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6","Chem.Commun.","2013","49","","4468","","10.1039/c3cc41140k","","","0.71073","MoKα","","0.0475","0.0406","","","0.1151","0.1209","","","","","","1","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109261","5.9331","0.0005","7.4929","0.0007","46.754","0.003","90","","90","","90","","2078.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H28 N2 O2 -","- C24 H28 N2 O2 -","- C96 H112 N8 O8 -","4","1","","Patrick Larpent; Abdelaziz Jouaiti; Nathalie Kyritsakasa; Mir Wais Hosseini","Molecular tectonics: homochiral 3D cuboid coordination networks based on enantiomerically pure organic tectons and ZnSiF6","Chem.Commun.","2013","49","","4468","","10.1039/c3cc41140k","","","0.71073","MoKα","","0.1538","0.0727","","","0.1503","0.1812","","","","","","1.028","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109262","9.8369","0.0011","17.341","0.002","11.3162","0.0013","90","","100.914","0.001","90","","1895.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H28 Au Cl N2 -","- C19 H28 Au Cl N2 -","- C76 H112 Au4 Cl4 N8 -","4","1","","Maria J. Lopez-Gomez; David Martin; Guy Bertrand","Anti-Bredt N-heterocyclic carbene: an efficient ligand for the gold(I)-catalyzed hydroamination of terminal alkynes with parent hydrazine","Chem.Commun.","2013","49","","4483","","10.1039/c3cc41279b","","","0.71073","MoKα","","0.0257","0.0246","","","0.0863","0.0883","","","","","","0.789","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109263","11.8363","0.0011","13.789","0.0013","16.121","0.002","110.596","0.001","91.517","0.001","104.583","0.001","2364.3","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H58 Au Cl6 F3 N4 O3 S -","- C41 H58 Au Cl6 F3 N4 O3 S -","- C82 H116 Au2 Cl12 F6 N8 O6 S2 -","2","1","","Maria J. Lopez-Gomez; David Martin; Guy Bertrand","Anti-Bredt N-heterocyclic carbene: an efficient ligand for the gold(I)-catalyzed hydroamination of terminal alkynes with parent hydrazine","Chem.Commun.","2013","49","","4483","","10.1039/c3cc41279b","","","0.71073","MoKα","","0.0313","0.0291","","","0.0728","0.0743","","","","","","1.028","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109264","5.8366","0.0012","22.212","0.004","10.215","0.002","90","","105.8","0.03","90","","1274.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F3 N O -","- C13 H16 F3 N O -","- C52 H64 F12 N4 O4 -","4","1","","Shangjun Cai; Chao Chen; Zelin Sun; Chanjuan Xi","CuCl-catalyzed ortho trifluoromethylation of arenes and heteroarenes with a pivalamido directing group","Chem.Commun.","2013","49","","4552","","10.1039/c3cc41331d","","","0.71073","MoKα","","0.069","0.0618","","","0.104","0.1074","","","","","","1.045","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109265","9.136","0.003","10.351","0.004","11.044","0.004","87.89","0.03","73.9","0.02","78.59","0.02","983.4","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 Cu2 I4 O12 -","- C32 H32 Cu2 I4 O12 -","- C32 H32 Cu2 I4 O12 -","1","0.5","","Shangjun Cai; Chao Chen; Zelin Sun; Chanjuan Xi","CuCl-catalyzed ortho trifluoromethylation of arenes and heteroarenes with a pivalamido directing group","Chem.Commun.","2013","49","","4552","","10.1039/c3cc41331d","","","0.71073","MoKα","","0.0509","0.0488","","","0.1162","0.1176","","","","","","1.137","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109266","12.572","0.003","13.249","0.003","18.106","0.004","81.11","0.03","75.27","0.03","73.23","0.03","2781.9","1.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 F3 N O2 -","- C13 H16 F3 N O2 -","- C104 H128 F24 N8 O16 -","8","4","","Shangjun Cai; Chao Chen; Zelin Sun; Chanjuan Xi","CuCl-catalyzed ortho trifluoromethylation of arenes and heteroarenes with a pivalamido directing group","Chem.Commun.","2013","49","","4552","","10.1039/c3cc41331d","","","0.71073","MoKα","","","0.0868","","","0.2448","0.2775","","","","","","1.184","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109267","8.284","0.007","9.776","0.002","12.577","0.003","108.28","0.02","99.72","0.04","104.9","0.03","899.4","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H26 O3 -","- C21 H26 O3 -","- C42 H52 O6 -","2","1","","Joana Zambrana; Pedro Romea; Felix Urpi","Stereoselective titanium-mediated aldol reactions of a chiral isopropyl ketone","Chem.Commun.","2013","49","","4507","","10.1039/c3cc41640b","","","0.71073","MoKα","","0.1219","0.0357","","","0.0765","0.0979","","","","","","0.884","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109268","11.941","0.005","20.21","0.008","14.884","0.006","90","","104.312","0.005","90","","3480","2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H106 Al2 N4 O2 -","- C78 H106 Al2 N4 O2 -","- C156 H212 Al4 N8 O4 -","2","0.5","","Yanxia Zhao; Yanyan Liu; Yibo Lei; Biao Wu; Xiao-Juan Yang","Activation of alkynes by an alpha-diimine-stabilized Al-Al-bonded compound: insertion into the Al-Al bond or cycloaddition to AlN2C2 rings","Chem.Commun.","2013","49","","4546","","10.1039/c3cc41756e","","","0.71073","MoKα","","0.1725","0.0603","","","0.1185","0.1577","","","","","","1.003","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109269","24.135","0.004","12.756","0.002","27.14","0.005","90","","109.968","0.002","90","","7853","2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C93 H116 Al2 N4 -","- C93 H116 Al2 N4 -","- C372 H464 Al8 N16 -","4","0.5","","Yanxia Zhao; Yanyan Liu; Yibo Lei; Biao Wu; Xiao-Juan Yang","Activation of alkynes by an alpha-diimine-stabilized Al-Al-bonded compound: insertion into the Al-Al bond or cycloaddition to AlN2C2 rings","Chem.Commun.","2013","49","","4546","","10.1039/c3cc41756e","","","0.71073","MoKα","","0.1388","0.0819","","","0.1654","0.1894","","","","","","1.188","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109270","19.133","0.004","18.651","0.004","20.965","0.005","90","","95.545","0.003","90","","7446","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C88 H112 Al2 N4 -","- C88 H112 Al2 N4 -","- C352 H448 Al8 N16 -","4","0.5","","Yanxia Zhao; Yanyan Liu; Yibo Lei; Biao Wu; Xiao-Juan Yang","Activation of alkynes by an alpha-diimine-stabilized Al-Al-bonded compound: insertion into the Al-Al bond or cycloaddition to AlN2C2 rings","Chem.Commun.","2013","49","","4546","","10.1039/c3cc41756e","","","0.71073","MoKα","","0.098","0.0559","","","0.1126","0.129","","","","","","1.025","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109271","12.6","0.004","16.32","0.005","26.808","0.009","90","","92.213","0.011","90","","5508","3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C120 H136 N8 O8 P8 -","- C120 H136 N8 O8 P8 -","- C240 H272 N16 O16 P16 -","2","0.5","","Caleb D. Martin; Cory M. Weinstein; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Exploring the reactivity of white phosphorus with electrophilic carbenes: synthesis of a P4 cage and P8 clusters","Chem.Commun.","2013","49","","4486","","10.1039/c3cc42041h","","","0.71073","MoKα","","0.1043","0.0625","","","0.1524","0.1766","","","","","","1.009","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109272","12.0923","0.0012","29.578","0.003","53.934","0.005","90","","90","","90","","19290","3","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C98 H146 N4 P8 -","- C98 H146 N4 P8 -","- C784 H1168 N32 P64 -","8","0.25","","Caleb D. Martin; Cory M. Weinstein; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Exploring the reactivity of white phosphorus with electrophilic carbenes: synthesis of a P4 cage and P8 clusters","Chem.Commun.","2013","49","","4486","","10.1039/c3cc42041h","","","0.71073","MoKα","","0.0756","0.0432","","","0.0934","0.1067","","","","","","1.008","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109273","34.4341","0.001","34.4341","0.001","11.4555","0.0004","90","","90","","120","","11763.1","0.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C27.33 H26.33 Cl N2 O2 P4 -","- C27 H26 N2 O2 P4 -","- C486 H468 N36 O36 P72 -","18","1","","Caleb D. Martin; Cory M. Weinstein; Curtis E. Moore; Arnold L. Rheingold; Guy Bertrand","Exploring the reactivity of white phosphorus with electrophilic carbenes: synthesis of a P4 cage and P8 clusters","Chem.Commun.","2013","49","","4486","","10.1039/c3cc42041h","","","0.71073","MoKα","","0.109","0.0645","","","0.1355","0.1495","","","","","","1.077","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109274","14.0226","0.0002","14.0226","0.0002","22.0805","0.0008","90","","90","","120","","3760.08","0.16","298","2","298","2","","","","","","","","5","P 65","P 65","170","","","","- C27 H25 Br N2 O5 -","- C27 H25 Br N2 O5 -","- C162 H150 Br6 N12 O30 -","6","1","","Maria Gonzalez-Esguevillas; Javier Adrio; Juan C. Carretero","Enantioselective synthesis of 4-aminopyrrolidine-2,4-dicarboxylate derivatives via Ag-catalyzed cycloaddition of azomethine ylides with alkylidene azlactones","Chem.Commun.","2013","49","","4649","","10.1039/c3cc41663a","","","1.54178","CuKα","","0.0347","0.0308","","","0.0744","0.0769","","","","","","1.037","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109275","9.7611","0.0002","9.9993","0.0002","25.5619","0.0006","90","","93.031","0.001","90","","2491.46","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Br N2 O5 -","- C27 H25 Br N2 O5 -","- C108 H100 Br4 N8 O20 -","4","1","","Maria Gonzalez-Esguevillas; Javier Adrio; Juan C. Carretero","Enantioselective synthesis of 4-aminopyrrolidine-2,4-dicarboxylate derivatives via Ag-catalyzed cycloaddition of azomethine ylides with alkylidene azlactones","Chem.Commun.","2013","49","","4649","","10.1039/c3cc41663a","","","0.71073","MoKα","","0.0728","0.0397","","","0.1032","0.117","","","","","","1.041","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109276","5.6126","0.0003","16.8138","0.0009","25.1126","0.001","90","","90","","90","","2369.9","0.2","291.98","0.1","291.98","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Br N5 O4 -","- C24 H22 Br N5 O4 -","- C96 H88 Br4 N20 O16 -","4","1","","Guo-Jian Duan; Jun-Bing Ling; Wei-Ping Wang; Yong-Chun Luo; Peng-Fei Xu","Organocatalytic formal [2+2] cycloaddition initiated by vinylogous Friedel-Crafts alkylation: enantioselective synthesis of substituted cyclobutane derivatives","Chem.Commun.","2013","49","","4625","","10.1039/c3cc41785a","","","0.7107","MoKα","","0.1492","0.0676","","","0.1525","0.2118","","","","","","0.928","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109282","8.368","0.003","7.7","0.001","29.646","0.017","90","","94.91","0.04","90","","1903.2","1.3","294","2","294","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Ag3 N9 O9 -","- C11 H14 Ag3 N9 O9 -","- C44 H56 Ag12 N36 O36 -","4","1","","Andres Tasada; Francisca M. Alberti; Antonio Bauza; Miquel Barcelo-Oliver; Angel Garcia-Raso; Juan J. Fiol; Elies Molins; Amparo Caubet; Antonio Frontera","Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands","Chem.Commun.","2013","49","","4944","","10.1039/c3cc40772a","","x-ray","0.71073","MoKα","","0.0568","0.0524","","","0.1447","0.148","","","","","","1.212","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109283","4.798","0.006","13.756","0.002","22.487","0.003","90","","93.377","0.011","90","","1481.6","1.9","294","2","294","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Ag B F4 N6 -","- C11 H14 Ag B F4 N6 -","- C44 H56 Ag4 B4 F16 N24 -","4","1","","Andres Tasada; Francisca M. Alberti; Antonio Bauza; Miquel Barcelo-Oliver; Angel Garcia-Raso; Juan J. Fiol; Elies Molins; Amparo Caubet; Antonio Frontera","Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands","Chem.Commun.","2013","49","","4944","","10.1039/c3cc40772a","","x-ray","0.71073","MoKα","","0.0551","0.0392","","","0.0983","0.111","","","","","","1.093","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109284","12.611","0.002","11.643","0.002","14.3923","0.0019","90","","112.081","0.013","90","","1958.2","0.6","294","2","294","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Ag2 N12 O6 S2 -","- C36 H42 Ag2 N12 O6 S2 -","- C72 H84 Ag4 N24 O12 S4 -","2","0.5","","Andres Tasada; Francisca M. Alberti; Antonio Bauza; Miquel Barcelo-Oliver; Angel Garcia-Raso; Juan J. Fiol; Elies Molins; Amparo Caubet; Antonio Frontera","Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands","Chem.Commun.","2013","49","","4944","","10.1039/c3cc40772a","","x-ray","0.71073","MoKα","","0.0352","0.0284","","","0.0752","0.0776","","","","","","1.058","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109285","7.31","0.004","10.068","0.007","17.074","0.013","101.53","0.06","96.2","0.05","104.51","0.06","1175.3","1.5","294","2","294","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H19 Ag3 N12 O9 -","- C16 H19 Ag3 N12 O9 -","- C32 H38 Ag6 N24 O18 -","2","1","","Andres Tasada; Francisca M. Alberti; Antonio Bauza; Miquel Barcelo-Oliver; Angel Garcia-Raso; Juan J. Fiol; Elies Molins; Amparo Caubet; Antonio Frontera","Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands","Chem.Commun.","2013","49","","4944","","10.1039/c3cc40772a","","x-ray","0.71073","MoKα","","0.0524","0.049","","","0.1312","0.1343","","","","","","1.086","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109286","10.874","0.005","11.15","0.005","11.523","0.004","96.688","0.014","117.81","0.03","108.686","0.005","1110.1","0.9","294","2","294","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C32 H46 Ag2 B2 F8 N18 O4 -","- C32 H46 Ag2 B2 F8 N18 O4 -","- C32 H46 Ag2 B2 F8 N18 O4 -","1","0.5","","Andres Tasada; Francisca M. Alberti; Antonio Bauza; Miquel Barcelo-Oliver; Angel Garcia-Raso; Juan J. Fiol; Elies Molins; Amparo Caubet; Antonio Frontera","Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands","Chem.Commun.","2013","49","","4944","","10.1039/c3cc40772a","","x-ray","0.71069","MoKα","","0.0908","0.054","","","0.1568","0.1775","","","","","","1.045","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109287","14.325","0.005","7.607","0.002","16.273","0.006","90","","106.477","0.007","90","","1700.5","1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl 2-(furan-2-carbonyl)indoline-1-carboxylate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Wen-Chao Gao; Shan Jiang; Ruo-Lin Wang; Chi Zhang","Iodine-mediated intramolecular amination of ketones: the synthesis of 2-acylindoles and 2-acylindolines by tuning N-protecting groups","Chem.Commun.","2013","49","","4890","","10.1039/c3cc40797g","","","0.71073","MoKα","","0.0706","0.0497","","","0.1036","0.1141","","","","","","1.039","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109288","15.9616","0.0004","20.3519","0.0006","30.5167","0.0008","90","","90","","90","","9913.3","0.5","100","2","100","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C79 H43 Al2 B2 Cl3 F72 Fe2 N2 O8 -","- C79 H43 Al2 B2 Cl3 F72 Fe2 N2 O8 -","- C316 H172 Al8 B8 Cl12 F288 Fe8 N8 O32 -","4","1","","Jiawei Chen; Roger A. Lalancette; Frieder Jakle","Synthesis and Lewis acid properties of a ferrocene-based planar-chiral borenium cation","Chem.Commun.","2013","49","","4893","","10.1039/c3cc41556b","","","1.54178","CuKα","","0.076","0.068","","","0.18","0.187","","","","","","1.02","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109289","19.2119","0.0003","14.9703","0.0003","19.5719","0.0003","90","","92.512","0.001","90","","5623.62","0.17","100","2","100","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C95 H60 Al2 B2 Cl2 F72 Fe2 N2 O10 -","- C95 H60 Al2 B2 Cl2 F72 Fe2 N2 O10 -","- C190 H120 Al4 B4 Cl4 F144 Fe4 N4 O20 -","2","1","","Jiawei Chen; Roger A. Lalancette; Frieder Jakle","Synthesis and Lewis acid properties of a ferrocene-based planar-chiral borenium cation","Chem.Commun.","2013","49","","4893","","10.1039/c3cc41556b","","","1.54178","CuKα","","0.088","0.075","","","0.189","0.201","","","","","","1.03","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109290","10.1953","0.0006","10.2701","0.0007","13.6377","0.0007","68.376","0.006","75.947","0.005","66.85","0.006","1212.53","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H23 I -","- C31 H23 I -","- C62 H46 I2 -","2","1","","Jian Cao; Xian Huang; Luling Wu","Highly regioselective ring-opening coupling of diarylmethylenecyclopropa[b]naphthalenes with Grignard reagents","Chem.Commun.","2013","49","","4788","","10.1039/c3cc00171g","","","0.71073","MoKα","","0.0439","0.0318","","","0.0641","0.0707","","","","","","1.036","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109291","7.2201","0.0004","10.1334","0.0006","17.8528","0.0009","97.658","0.004","96.136","0.004","106.567","0.005","1226.28","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H23 I -","- C31 H23 I -","- C62 H46 I2 -","2","1","","Jian Cao; Xian Huang; Luling Wu","Highly regioselective ring-opening coupling of diarylmethylenecyclopropa[b]naphthalenes with Grignard reagents","Chem.Commun.","2013","49","","4788","","10.1039/c3cc00171g","","","0.71073","MoKα","","0.0525","0.0359","","","0.0751","0.0821","","","","","","1.033","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109292","9.0349","0.0008","9.8658","0.0009","14.1981","0.0013","72.771","0.005","75.68","0.004","71.733","0.004","1131.09","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MM43","","","- C21 H22 Cl4 N P Pt -","- C21 H22 Cl4 N P Pt -","- C42 H44 Cl8 N2 P2 Pt2 -","2","1","","Maria Angeles Medrano; Amparo Alvarez-Valdes; Josefina Perles; Julio Lloret-Fillol; Sandra Munoz-Galvan; Amancio Carnero; Carmen Navarro-Ranninger; Adoracion G. Quiroga","Oxidation of anticancer Pt(II) complexes with monodentate phosphane ligands: towards stable but active Pt(IV) prodrugs","Chem.Commun.","2013","49","","4806","","10.1039/c3cc38416k","","","0.71073","","","0.0305","0.022","","","0.0706","0.1264","","","","","","1.097","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109293","8.6761","0.0007","9.8525","0.0008","14.2672","0.0011","73.172","0.003","75.434","0.003","69.505","0.004","1078.02","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","MM30s1","","","- C20 H22 Cl4 N P Pt -","- C20 H22 Cl4 N P Pt -","- C40 H44 Cl8 N2 P2 Pt2 -","2","1","","Maria Angeles Medrano; Amparo Alvarez-Valdes; Josefina Perles; Julio Lloret-Fillol; Sandra Munoz-Galvan; Amancio Carnero; Carmen Navarro-Ranninger; Adoracion G. Quiroga","Oxidation of anticancer Pt(II) complexes with monodentate phosphane ligands: towards stable but active Pt(IV) prodrugs","Chem.Commun.","2013","49","","4806","","10.1039/c3cc38416k","","","0.71073","","","0.0158","0.0122","","","0.0454","0.0777","","","","","","1.196","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109294","10.5359","0.0008","34.925","0.003","15.6065","0.0012","90","","104.078","0.002","90","","5570.2","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C63 H52 Fe2 N O6 P3 S2 -","- C63 H52 Fe2 N O6 P3 S2 -","- C252 H208 Fe8 N4 O24 P12 S8 -","4","1","","Yu-Chiao Liu; Kai-Ti Chu; Ruei-Lin Jhang; Gene-Hsiang Lee; Ming-Hsi Chiang","[FeFe] hydrogenase active site modeling: a key intermediate bearing a thiolate proton and Fe hydride","Chem.Commun.","2013","49","","4743","","10.1039/c3cc39008j","","","0.71073","MoKα","","0.1255","0.1066","","","0.1956","0.2032","","","","","","1.293","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109295","12.5435","0.0014","15.0788","0.0016","19.863","0.002","92.733","0.002","99.228","0.002","109.202","0.002","3481.6","0.6","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C25.5 H19 Cl F6 Fe2 O11.5 P S4 -","- C25.5 H19 Cl F6 Fe2 O11.5 P S4 -","- C102 H76 Cl4 F24 Fe8 O46 P4 S16 -","4","2","","Yu-Chiao Liu; Kai-Ti Chu; Ruei-Lin Jhang; Gene-Hsiang Lee; Ming-Hsi Chiang","[FeFe] hydrogenase active site modeling: a key intermediate bearing a thiolate proton and Fe hydride","Chem.Commun.","2013","49","","4743","","10.1039/c3cc39008j","","","0.71073","MoKα","","0.0706","0.048","","","0.1069","0.1203","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109296","14.1326","0.0003","15.3504","0.0004","22.2269","0.0004","90","","114.632","0.001","90","","4383.15","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 B20 Cl3 Ir N2 O2 -","- C32 H44 B20 Cl3 Ir N2 O2 -","- C128 H176 B80 Cl12 Ir4 N8 O8 -","4","1","","Chao Shi; Huibin Sun; Qibai Jiang; Qiang Zhao; Jingxia Wang; Wei Huang; Hong Yan","Carborane tuning of photophysical properties of phosphorescent iridium(III) complexes","Chem.Commun.","2013","49","","4746","","10.1039/c3cc40996a","","","0.71073","MoKα","","0.0247","0.0208","","","0.0524","0.0536","","","","","","1.076","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109297","14.4291","0.0015","15.2895","0.0016","20.778","0.002","90","","103.871","0.002","90","","4450.2","0.8","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 B20 Cl3 Ir N2 O2 -","- C32 H44 B20 Cl3 Ir N2 O2 -","- C128 H176 B80 Cl12 Ir4 N8 O8 -","4","1","","Chao Shi; Huibin Sun; Qibai Jiang; Qiang Zhao; Jingxia Wang; Wei Huang; Hong Yan","Carborane tuning of photophysical properties of phosphorescent iridium(III) complexes","Chem.Commun.","2013","49","","4746","","10.1039/c3cc40996a","","","0.71073","MoKα","","0.0398","0.0298","","","0.0757","0.0793","","","","","","1.045","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109298","17.2631","0.0015","15.3262","0.0013","19.1351","0.0016","90","","113.219","0.003","90","","4652.7","0.7","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H90 B40 Cl6 Ir2 N4 O5 -","- C64 H90 B40 Cl6 Ir2 N4 O5 -","- C128 H180 B80 Cl12 Ir4 N8 O10 -","2","0.5","","Chao Shi; Huibin Sun; Qibai Jiang; Qiang Zhao; Jingxia Wang; Wei Huang; Hong Yan","Carborane tuning of photophysical properties of phosphorescent iridium(III) complexes","Chem.Commun.","2013","49","","4746","","10.1039/c3cc40996a","","","0.71073","MoKα","","0.0717","0.051","","","0.0989","0.1031","","","","","","1.015","","","","has coordinates,has disorder","180196","2020-10-21","18:00:00",""
"7109299","15.627","0.004","15.656","0.004","27.437","0.007","100.03","0.004","90.447","0.004","96.384","0.005","6567","3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H102 B40 Cl14 F12 Ir2 N8 P2 -","- C83 H102 B40 Cl14 F12 Ir2 N8 P2 -","- C166 H204 B80 Cl28 F24 Ir4 N16 P4 -","2","1","","Chao Shi; Huibin Sun; Qibai Jiang; Qiang Zhao; Jingxia Wang; Wei Huang; Hong Yan","Carborane tuning of photophysical properties of phosphorescent iridium(III) complexes","Chem.Commun.","2013","49","","4746","","10.1039/c3cc40996a","","","0.71073","MoKα","","0.066","0.0497","","","0.1234","0.1269","","","","","","0.96","","","","has coordinates","180196","2020-10-21","18:00:00",""
"7109300","21.451","0.004","14.204","0.003","17.038","0.003","90","","124.8","0.03","90","","4263","2","193","","193","","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C82 H141 B4 Cu14 I14 Mo4 N35 S12 -","- C82 H141 B4 Cu14 I14 Mo4 N35 S12 -","- C82 H141 B4 Cu14 I14 Mo4 N35 S12 -","1","0.25","","Zhen-Hong Wei; Chun-Yan Ni; Hong-Xi Li; Zhi-Gang Ren; Zhen-Rong Sun; Jian-Ping Lang","[PyH][{TpMo(mu3-S)4Cu3}4(mu12-I)]: a unique tetracubane cluster derived from the S-S bond cleavage and the iodide template effects and its enhanced NLO performances","Chem.Commun.","2013","49","","4836","","10.1039/c3cc41280f","","","0.71073","MoKα","","0.0517","0.0387","","","0.1015","0.1084","","","","","","0.944","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109301","15.803","0.003","27.09","0.005","23.606","0.005","90","","90","","90","","10106","3","193","2","193","2","","","","","","","","9","C c c a :2","-C 2a 2ac","68","","","","- C45 H56 B4 Cu12 I Mo4 N25 O S16 -","- C45 H56 B4 Cu12 I Mo4 N25 O S16 -","- C180 H224 B16 Cu48 I4 Mo16 N100 O4 S64 -","4","0.25","","Zhen-Hong Wei; Chun-Yan Ni; Hong-Xi Li; Zhi-Gang Ren; Zhen-Rong Sun; Jian-Ping Lang","[PyH][{TpMo(mu3-S)4Cu3}4(mu12-I)]: a unique tetracubane cluster derived from the S-S bond cleavage and the iodide template effects and its enhanced NLO performances","Chem.Commun.","2013","49","","4836","","10.1039/c3cc41280f","","","0.71073","MoKα","","0.0708","0.0654","","","0.1884","0.1924","","","","","","1.246","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109302","14.8066","0.0006","21.8162","0.0009","26.1967","0.0011","90","","90","","90","","8462.2","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C103 H64 Cl8 O21 Si -","- C103 H64 Cl8 O21 Si -","- C412 H256 Cl32 O84 Si4 -","4","1","","Sebastiano Guerra; Franck Schillinger; David Sigwalt; Michel Holler; Jean-Francois Nierengarten","Synthesis of optically pure [60]fullerene e,e,e-tris adducts","Chem.Commun.","2013","49","","4752","","10.1039/c3cc41409d","","","1.54178","CuKα","","0.1237","0.12","","","0.3274","0.332","","","","","","1.546","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109303","13.1134","0.0011","13.6354","0.0011","7.2439","0.0006","90","","90","","90","","1295.26","0.19","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","0.5","","Shoko Hachiya; Yoshio Kasashima; Fumitoshi Yagishita; Takashi Mino; Hyuma Masuc; Masami Sakamoto","Asymmetric transformation by dynamic crystallization of achiral succinimides","Chem.Commun.","2013","49","","4776","","10.1039/c3cc41678j","","","0.71073","MoKα","","0.0452","0.0376","","","0.0911","0.0957","","","","","","1.035","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109304","17.0588","0.0003","5.3048","0.0001","8.5854","0.0001","90","","90","","90","","776.92","0.02","173","","173","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","0.5","","Shoko Hachiya; Yoshio Kasashima; Fumitoshi Yagishita; Takashi Mino; Hyuma Masuc; Masami Sakamoto","Asymmetric transformation by dynamic crystallization of achiral succinimides","Chem.Commun.","2013","49","","4776","","10.1039/c3cc41678j","","","1.54178","CuKα","","0.0301","0.0299","","","0.0751","0.0754","","","","","","1.115","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109305","11.729","0.004","8.588","0.003","37.58","0.013","90","","90","","90","","3785","2","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C192 H168 N8 O16 -","8","1","","Shoko Hachiya; Yoshio Kasashima; Fumitoshi Yagishita; Takashi Mino; Hyuma Masuc; Masami Sakamoto","Asymmetric transformation by dynamic crystallization of achiral succinimides","Chem.Commun.","2013","49","","4776","","10.1039/c3cc41678j","","","0.71073","MoKα","","0.1671","0.1009","","","0.2307","0.2534","","","","","","1.107","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109306","17.1516","0.0003","11.589","0.0002","8.4053","0.0002","90","","90","","90","","1670.72","0.06","173","","173","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H17 N O2 -","- C22 H17 N O2 -","- C88 H68 N4 O8 -","4","0.5","","Shoko Hachiya; Yoshio Kasashima; Fumitoshi Yagishita; Takashi Mino; Hyuma Masuc; Masami Sakamoto","Asymmetric transformation by dynamic crystallization of achiral succinimides","Chem.Commun.","2013","49","","4776","","10.1039/c3cc41678j","","","1.54178","CuKα","","0.0368","0.0357","","","0.1003","0.1016","","","","","","1.023","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109307","8.8218","0.0006","17.4333","0.0012","11.8783","0.0009","90","","100.314","0.001","90","","1797.3","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Shoko Hachiya; Yoshio Kasashima; Fumitoshi Yagishita; Takashi Mino; Hyuma Masuc; Masami Sakamoto","Asymmetric transformation by dynamic crystallization of achiral succinimides","Chem.Commun.","2013","49","","4776","","10.1039/c3cc41678j","","","0.71073","MoKα","","0.058","0.0447","","","0.1096","0.1175","","","","","","1.037","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109308","18.063","0.003","20.802","0.004","7.1849","0.0012","90","","90","","90","","2699.7","0.8","153","2","153","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H27 Br N2 O3 S -","- C30 H27 Br N2 O3 S -","- C120 H108 Br4 N8 O12 S4 -","4","1","","Guo-Hua Li; Wen Zhou; Xiao-Xiao Li; Qing-Wei Bi; Zhen Wang; Zhi-Gang Zhao; Wen-Xiang Hu; Zili Chen","Gold catalyzed enantioselective intermolecular [3+2] dipolar cycloaddition of N-allenyl amides with nitrones","Chem.Commun.","2013","49","","4770","","10.1039/c3cc41769g","","","0.71073","MoKα","","0.0492","0.0396","","","0.0659","0.0692","","","","","","1","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109309","9.798","0.003","10.814","0.003","16.337","0.006","70.744","0.005","86.134","0.007","85.896","0.005","1628.2","0.9","163","2","163","2","","","","","","","","5","P -1","-P 1","2","IPrCu(COOH)","","","- C28 H37 Cu N2 O2 -","- C28 H37 Cu N2 O2 -","- C56 H74 Cu2 N4 O4 -","2","1","","Liang Zhang; Jianhua Cheng; Zhaomin Hou","Highly efficient catalytic hydrosilylation of carbon dioxide by an N-heterocyclic carbene copper catalyst","Chem.Commun.","2013","49","","4782","","10.1039/c3cc41838c","","","0.71073","MoKα","","0.0741","0.0558","","","0.1296","0.137","","","","","","1.045","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109310","6.5579","0.0004","8.2137","0.0005","10.2782","0.0005","74.6441","0.0013","85.9937","0.0012","86.1229","0.0012","531.87","0.05","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 Br O3 -","- C12 H10 Br O3 -","- C24 H20 Br2 O6 -","2","1","","Shin-ichiro Kawano; Martin Baumgarten; Dennis Chercka; Volker Enkelmann; Klaus Mullen","Electron donors and acceptors based on 2,7-functionalized pyrene-4,5,9,10-tetraone","Chem.Commun.","2013","49","","5058","","10.1039/c3cc39141h","","","0.71073","MoKα","","0.0407","0.03","","0.0303","0.0301","0.0301","","","","","","1.1503","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109311","9.3552","0.0005","6.626","0.0004","11.1029","0.0005","90","","101.373","0.0012","90","","674.73","0.06","120","","120","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C9 H2 N O2 -","- C9 H2 N O2 -","- C36 H8 N4 O8 -","4","1","","Shin-ichiro Kawano; Martin Baumgarten; Dennis Chercka; Volker Enkelmann; Klaus Mullen","Electron donors and acceptors based on 2,7-functionalized pyrene-4,5,9,10-tetraone","Chem.Commun.","2013","49","","5058","","10.1039/c3cc39141h","","","0.71073","MoKα","","0.0905","0.0425","","0.0526","0.0514","0.0514","","","","","","1.0867","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109312","16.0033","0.0009","6.9362","0.0004","20.1144","0.0009","90","","112.579","0.003","90","","2061.6","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 O4 -","- C24 H28 N2 O4 -","- C96 H112 N8 O16 -","4","1","","Shin-ichiro Kawano; Martin Baumgarten; Dennis Chercka; Volker Enkelmann; Klaus Mullen","Electron donors and acceptors based on 2,7-functionalized pyrene-4,5,9,10-tetraone","Chem.Commun.","2013","49","","5058","","10.1039/c3cc39141h","","","0.71073","MoKα","","0.0988","0.051","","0.1764","0.0448","0.0448","","","","","","0.9882","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109313","13.9727","0.0004","9.7974","0.0003","14.093","0.0004","90","","99.9701","0.0018","90","","1900.14","0.1","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 N2 O4 -","- C48 H44 N2 O4 -","- C96 H88 N4 O8 -","2","0.5","","Shin-ichiro Kawano; Martin Baumgarten; Dennis Chercka; Volker Enkelmann; Klaus Mullen","Electron donors and acceptors based on 2,7-functionalized pyrene-4,5,9,10-tetraone","Chem.Commun.","2013","49","","5058","","10.1039/c3cc39141h","","","0.71073","MoKα","","0.0774","0.0549","","0.078","0.0712","0.0712","","","","","","1.1721","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109314","8.178","0.0004","7.853","0.0002","14.248","0.0006","90","","97.684","0.0015","90","","906.82","0.06","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O6 -","- C22 H22 O6 -","- C44 H44 O12 -","2","0.5","","Shin-ichiro Kawano; Martin Baumgarten; Dennis Chercka; Volker Enkelmann; Klaus Mullen","Electron donors and acceptors based on 2,7-functionalized pyrene-4,5,9,10-tetraone","Chem.Commun.","2013","49","","5058","","10.1039/c3cc39141h","","","0.71073","MoKα","","0.0544","0.0414","","0.0598","0.0519","0.0519","","","","","","1.0607","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109315","14.2441","0.0005","14.6744","0.0007","13.2556","0.0004","90","","115.853","0.002","90","","2493.43","0.17","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 N4 O4 -","- C32 H22 N4 O4 -","- C128 H88 N16 O16 -","4","0.5","","Shin-ichiro Kawano; Martin Baumgarten; Dennis Chercka; Volker Enkelmann; Klaus Mullen","Electron donors and acceptors based on 2,7-functionalized pyrene-4,5,9,10-tetraone","Chem.Commun.","2013","49","","5058","","10.1039/c3cc39141h","","","0.71073","MoKα","","0.0694","0.0485","","0.0632","0.0591","0.0591","","","","","","1.0674","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109316","13.1831","0.0007","12.9272","0.0009","19.6341","0.0009","90","","109.661","0.004","90","","3151","0.3","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N4 O7 S -","- C36 H32 N4 O7 S -","- C144 H128 N16 O28 S4 -","4","1","","Shin-ichiro Kawano; Martin Baumgarten; Dennis Chercka; Volker Enkelmann; Klaus Mullen","Electron donors and acceptors based on 2,7-functionalized pyrene-4,5,9,10-tetraone","Chem.Commun.","2013","49","","5058","","10.1039/c3cc39141h","","","0.71073","MoKα","","0.0637","0.0316","","0.1632","0.0523","0.0523","","","","","","0.9132","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109317","12.5133","0.0008","13.8309","0.0009","25.5673","0.0016","84.192","0.002","84.067","0.002","65.026","0.001","3981.6","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H72 N6 Na6 O6 S6 -","- C84 H72 N6 Na6 O6 S6 -","- C168 H144 N12 Na12 O12 S12 -","2","1","","Xiaolu Song; Zhe Wang; Jin Zhao; T. S. Andy Hor","Sodium cubane and double-cubane aggregates of hybridised salicylaldimines and their transmetallation to nickel for catalytic ethylene oligomerisation","Chem.Commun.","2013","49","","4992","","10.1039/c3cc40320c","","","0.71073","MoKα","","0.0784","0.0609","","","0.1358","0.1446","","","","","","1.084","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109318","11.031","0.008","17.991","0.014","21.829","0.017","90","","94.77","0.02","90","","4317","6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 Cl4 N6 Ni3 O4 -","- C37 H54 Cl4 N6 Ni3 O4 -","- C148 H216 Cl16 N24 Ni12 O16 -","4","1","","Xiaolu Song; Zhe Wang; Jin Zhao; T. S. Andy Hor","Sodium cubane and double-cubane aggregates of hybridised salicylaldimines and their transmetallation to nickel for catalytic ethylene oligomerisation","Chem.Commun.","2013","49","","4992","","10.1039/c3cc40320c","","","0.71073","MoKα","","0.1142","0.068","","","0.1469","0.1691","","","","","","1.056","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109319","18.722","0.002","10.9768","0.0013","20.175","0.002","90","","104.568","0.003","90","","4012.8","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H50 Cl3 N3 Ni3 O7 -","- C37 H50 Cl3 N3 Ni3 O7 -","- C148 H200 Cl12 N12 Ni12 O28 -","4","1","","Xiaolu Song; Zhe Wang; Jin Zhao; T. S. Andy Hor","Sodium cubane and double-cubane aggregates of hybridised salicylaldimines and their transmetallation to nickel for catalytic ethylene oligomerisation","Chem.Commun.","2013","49","","4992","","10.1039/c3cc40320c","","","0.71073","MoKα","","0.067","0.0461","","","0.1029","0.1111","","","","","","1.022","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109320","11.5049","0.0011","7.3081","0.0007","13.8761","0.0014","90","","111.595","0.002","90","","1084.8","0.18","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 Ni O4 -","- C22 H28 N2 Ni O4 -","- C44 H56 N4 Ni2 O8 -","2","0.5","","Xiaolu Song; Zhe Wang; Jin Zhao; T. S. Andy Hor","Sodium cubane and double-cubane aggregates of hybridised salicylaldimines and their transmetallation to nickel for catalytic ethylene oligomerisation","Chem.Commun.","2013","49","","4992","","10.1039/c3cc40320c","","","0.71073","MoKα","","0.0514","0.0418","","","0.1079","0.1144","","","","","","1.066","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109321","12.3237","0.0008","13.6103","0.0009","13.7343","0.0009","60.486","0.001","79.978","0.001","79.015","0.001","1959.3","0.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Cl N3 Ni2 O3 S3 -","- C42 H36 Cl N3 Ni2 O3 S3 -","- C84 H72 Cl2 N6 Ni4 O6 S6 -","2","1","","Xiaolu Song; Zhe Wang; Jin Zhao; T. S. Andy Hor","Sodium cubane and double-cubane aggregates of hybridised salicylaldimines and their transmetallation to nickel for catalytic ethylene oligomerisation","Chem.Commun.","2013","49","","4992","","10.1039/c3cc40320c","","","0.71073","MoKα","","0.1339","0.0754","","","0.1304","0.1487","","","","","","1.039","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109322","16.3906","0.0009","16.5378","0.0009","18.1746","0.0011","90","","100.293","0.001","90","","4847.2","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C56 H48 N4 Na4 O8 -","- C56 H48 N4 Na4 O8 -","- C224 H192 N16 Na16 O32 -","4","1","","Xiaolu Song; Zhe Wang; Jin Zhao; T. S. Andy Hor","Sodium cubane and double-cubane aggregates of hybridised salicylaldimines and their transmetallation to nickel for catalytic ethylene oligomerisation","Chem.Commun.","2013","49","","4992","","10.1039/c3cc40320c","","","0.71073","MoKα","","0.077","0.0618","","","0.1185","0.1262","","","","","","1.025","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109323","12.2929","0.0014","13.6662","0.0016","22.289","0.003","96.29","0.002","95.839","0.002","98.85","0.002","3650.7","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H32.75 Cl4 N3.25 Ni3 O2.5 S2 -","- C32.5 H32.75 Cl4 N3.25 Ni3 O2.5 S2 -","- C130 H131 Cl16 N13 Ni12 O10 S8 -","4","2","","Xiaolu Song; Zhe Wang; Jin Zhao; T. S. Andy Hor","Sodium cubane and double-cubane aggregates of hybridised salicylaldimines and their transmetallation to nickel for catalytic ethylene oligomerisation","Chem.Commun.","2013","49","","4992","","10.1039/c3cc40320c","","","0.71073","MoKα","","0.0423","0.0349","","","0.0886","0.0918","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109324","20.2549","0.0014","20.2549","0.0014","12.4783","0.0009","90","","90","","90","","5119.4","0.6","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C48 H68 N8 Na4 O4 -","- C48 H68 N8 Na4 O4 -","- C192 H272 N32 Na16 O16 -","4","0.25","","Xiaolu Song; Zhe Wang; Jin Zhao; T. S. Andy Hor","Sodium cubane and double-cubane aggregates of hybridised salicylaldimines and their transmetallation to nickel for catalytic ethylene oligomerisation","Chem.Commun.","2013","49","","4992","","10.1039/c3cc40320c","","","0.71073","MoKα","","0.0441","0.0406","","","0.1033","0.1055","","","","","","1.043","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109325","20.238","0.005","5.2827","0.0013","28.859","0.006","90","","112.663","0.013","90","","2847.1","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 O22 P5 Zn6 -","- C12 H12 N2 O22 P5 Zn6 -","- C48 H48 N8 O88 P20 Zn24 -","4","1","","Junbiao Wu; Yan Yan; Bingkun Liu; Xuelei Wang; Jiyang Li; Jihong Yu","Multifunctional open-framework zinc phosphate |C12H14N2|[Zn6(PO4)4(HPO4)(H2O)2]: photochromic, photoelectric and fluorescent properties","Chem.Commun.","2013","49","","4995","","10.1039/c3cc40936h","","","0.71073","MoKα","","0.1009","0.0533","","","0.1214","0.1435","","","","","","1.047","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109326","46.2747","0.0007","17.1931","0.0002","18.3604","0.0004","90","","107.238","0.0018","90","","13951.5","0.4","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C29 H44 Cl3 N Ni O3 Ru S4 -","- C29 H44 Cl3 N Ni O3 Ru S4 -","- C464 H704 Cl48 N16 Ni16 O48 Ru16 S64 -","16","2","","Sigolene Canaguier; Vincent Fourmond; Carlo U. Perotto; Jennifer Fize; Jacques Pecaut; Marc Fontecave; Martin J. Field; Vincent Artero","Catalytic hydrogen production by a Ni-Ru mimic of NiFe hydrogenases involves a proton-coupled electron transfer step","Chem.Commun.","2013","49","","5004","","10.1039/c3cc40987b","","","0.71073","MoKα","","0.077","0.055","","","0.1441","0.1502","","","","","","1.055","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109327","8.2459","0.0008","8.7253","0.0008","17.0434","0.0015","98.293","0.007","101.048","0.007","107.799","0.007","1118.59","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C48 H58 N2 O10 -","2","1","","Bin Pan; Chunxiang Wang; Dongping Wang; Fan Wu; Boshun Wan","Nickel-catalyzed [3 + 2] cycloaddition of diynes with methyleneaziridines via C-C bond cleavage","Chem.Commun.","2013","49","","5073","","10.1039/c3cc41061g","","","0.71073","MoKα","","0.0892","0.0562","","","0.1597","0.181","","","","","","1","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109328","10.2755","0.0005","18.015","0.0009","10.88","0.0006","90","","116.623","0.002","90","","1800.49","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N5 O3 -","- C17 H19 N5 O3 -","- C68 H76 N20 O12 -","4","1","","Sangram Gore; Kiran Chinthapally; Sundarababu Baskaran; Burkhard Konig","Synthesis of substituted hydantoins in low melting mixtures","Chem.Commun.","2013","49","","5052","","10.1039/c3cc41254g","","","0.71073","MoKα","","0.0818","0.0501","","","0.1263","0.1456","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109329","6.6929","0.0003","9.8842","0.0006","22.5275","0.0014","90","","97.236","0.003","90","","1478.41","0.14","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N4 O4 -","- C14 H18 N4 O4 -","- C56 H72 N16 O16 -","4","1","","Sangram Gore; Kiran Chinthapally; Sundarababu Baskaran; Burkhard Konig","Synthesis of substituted hydantoins in low melting mixtures","Chem.Commun.","2013","49","","5052","","10.1039/c3cc41254g","","","0.71073","MoKα","","0.0773","0.0442","","","0.1058","0.1204","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109330","12.3991","0.0003","13.1073","0.0004","17.2525","0.0006","100.356","0.003","101.793","0.003","111.777","0.003","2445.98","0.16","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C49.5 H27 Cl3 F10 N4 Pb Pt2 S2 -","- C49 H26 Cl2 F10 N4 Pb Pt2 S2 -","- C98 H52 Cl4 F20 N8 Pb2 Pt4 S4 -","2","1","","Jesus R. Berenguer; Elena Lalinde; Antonio Martin; M. Teresa Moreno; Santiago Ruiz; Sergio Sanchez; Hamid R. Shahsavari","Solvent-induced lone pair activity tuning and vapoluminescence in a Pt2Pb cluster","Chem.Commun.","2013","49","","5067","","10.1039/c3cc41638k","","","0.71073","MoKα","","0.0297","0.0258","","","0.0642","0.0658","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109331","10.7618","0.0003","13.8101","0.0005","19.2886","0.0007","106.702","0.001","95.471","0.002","98.767","0.002","2684.2","0.16","193","1","193","1","","","","","","","","8","P -1","-P 1","2","Compound X","","","- C55.5 H39 F10 N4 O2.5 Pb Pt2 S2 -","- C54 H36 F10 N4 O2 Pb Pt2 S2 -","- C108 H72 F20 N8 O4 Pb2 Pt4 S4 -","2","1","","Jesus R. Berenguer; Elena Lalinde; Antonio Martin; M. Teresa Moreno; Santiago Ruiz; Sergio Sanchez; Hamid R. Shahsavari","Solvent-induced lone pair activity tuning and vapoluminescence in a Pt2Pb cluster","Chem.Commun.","2013","49","","5067","","10.1039/c3cc41638k","","","0.71073","MoKα","","0.0358","0.0293","","","0.0735","0.0757","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109332","11.591","0.0004","14.2637","0.0005","15.6726","0.0006","90","","90","","90","","2591.16","0.16","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H33 Cl6 Ga2 N3 Sn -","- C11 H33 Cl6 Ga2 N3 Sn -","- C44 H132 Cl24 Ga8 N12 Sn4 -","4","1","","Robert J. Wilson; Jason R. Jones; Miriam V. Bennett","Unprecedented gallium-nitrogen anions: synthesis and characterization of [(Cl3Ga)3N]^3-^ and [(Cl3Ga)2NSnMe3]^2-^","Chem.Commun.","2013","49","","5049","","10.1039/c3cc41897a","","x-ray","0.71073","MoKα","","0.0369","0.0267","","","0.0523","0.0551","","","","","","1.04","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109333","10.7081","0.0018","10.7081","0.0018","22.379","0.004","90","","90","","120","","2222.3","0.7","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C12 H36 Cl9 Ga3 N4 -","- C12 H36.0054 Cl9 Ga3 N4 -","- C36 H108.016 Cl27 Ga9 N12 -","3","0.333333","","Robert J. Wilson; Jason R. Jones; Miriam V. Bennett","Unprecedented gallium-nitrogen anions: synthesis and characterization of [(Cl3Ga)3N]^3-^ and [(Cl3Ga)2NSnMe3]^2-^","Chem.Commun.","2013","49","","5049","","10.1039/c3cc41897a","","x-ray","0.71073","MoKα","","0.0495","0.0334","","","0.0644","0.0689","","","","","","1.018","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109334","34.583","0.005","29.038","0.004","14.934","0.002","90","","94.398","0.003","90","","14953","4","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 Cl3 N4 Ni -","- C43 H34 Cl3 N6 Ni -","- C688 H544 Cl48 N96 Ni16 -","16","4","","Ayaka Yamaji; Satoru Hiroto; Ji-Young Shin; Hiroshi Shinokubo","Carbolithiation of meso-aryl-substituted 5,15-diazaporphyrin selectively provides 3-alkylated diazachlorins","Chem.Commun.","2013","49","","5064","","10.1039/c3cc41907j","","","0.71073","MoKα","","0.1357","0.0739","","","0.1706","0.2023","","","","","","1.028","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7109335","8.455","0.005","13.354","0.005","16.134","0.005","110.622","0.005","90.985","0.005","96.49","0.005","1690.8","1.3","153","2","153","2","","","","","","","","4","P 1","P 1","1","","","","- C80 H80 N12 Ni2 -","- C80 H80 N12 Ni2 -","- C80 H80 N12 Ni2 -","1","1","","Ayaka Yamaji; Satoru Hiroto; Ji-Young Shin; Hiroshi Shinokubo","Carbolithiation of meso-aryl-substituted 5,15-diazaporphyrin selectively provides 3-alkylated diazachlorins","Chem.Commun.","2013","49","","5064","","10.1039/c3cc41907j","","","0.71069","MoKα","","0.0579","0.0514","","","0.1369","0.1419","","","","","","1.21","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109336","8.477","0.005","24.012","0.015","7.89","0.005","90","","110.629","0.01","90","","1503","1.6","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N6 Ni -","- C37 H32 N6 Ni -","- C74 H64 N12 Ni2 -","2","0.5","","Ayaka Yamaji; Satoru Hiroto; Ji-Young Shin; Hiroshi Shinokubo","Carbolithiation of meso-aryl-substituted 5,15-diazaporphyrin selectively provides 3-alkylated diazachlorins","Chem.Commun.","2013","49","","5064","","10.1039/c3cc41907j","","","0.71073","MoKα","","0.0572","0.0444","","","0.1205","0.1359","","","","","","1.043","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109337","10.8101","0.0006","21.2231","0.0013","22.787","0.0016","110.488","0.008","97.325","0.007","97.504","0.007","4770.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C110 H117 N12 O15.5 -","- C110 H117 N12 O15.5 -","- C220 H234 N24 O31 -","2","1","","Nigel S. Simpkins; Damian F. Weske; Louise Male; Simon J. Coles; Mateusz B. Pitak","Synthesis of fumaramide derived [3]rotaxanes as potential precursors for molecular boxes","Chem.Commun.","2013","49","","5010","","10.1039/c3cc42045k","","","0.71075","MoKα","","0.1513","0.0816","","","0.1914","0.2292","","","","","","1.053","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109338","10.0536","0.0003","38.7489","0.0011","11.7046","0.0003","90","","92.61","0.002","90","","4555","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C102.5 H101 N12 O15 -","- C102.5 H97 N12 O15 -","- C205 H194 N24 O30 -","2","1","","Nigel S. Simpkins; Damian F. Weske; Louise Male; Simon J. Coles; Mateusz B. Pitak","Synthesis of fumaramide derived [3]rotaxanes as potential precursors for molecular boxes","Chem.Commun.","2013","49","","5010","","10.1039/c3cc42045k","","","1.54184","CuKα","","0.0549","0.0509","","","0.1353","0.1385","","","","","","1.075","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109339","20.2555","0.0019","19.4335","0.0019","20.627","0.002","90","","108.397","0.001","90","","7704.5","1.3","120","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H39.25 F N8 O14.62 P Zn2 -","- C32 H38.5 F N8 O14.625 P Zn2 -","- C256 H308 F8 N64 O117 P8 Zn16 -","8","4","","Haiying Gan; Allen G. Oliver; Bradley D. Smith","Fluorine NMR reporter for phosphate anions","Chem.Commun.","2013","49","","5070","","10.1039/c3cc42169d","","","0.71073","MoKα","","0.0361","0.0295","","","0.066","0.0687","","","","","","1.015","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7109340","11.8325","0.0002","41.1461","0.0009","21.8039","0.0005","90","","90.019","0.001","90","","10615.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H78 B2 O4 P2 Pt -","- C40 H78 B2 O4 P2 Pt -","- C320 H624 B16 O32 P16 Pt8 -","8","2","","Holger Braunschweig; Alexander Damme","Thermodynamic control of oxidative addition and reductive elimination processes in cis-bis(dimethoxyboryl)-bis(tricyclohexylphosphine)platinum(II)","Chem.Commun.","2013","49","","5216","","10.1039/c3cc41444b","","","0.71073","MoKα","","0.0664","0.0386","","","0.073","0.0779","","","","","","0.983","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109341","26.743","0.005","14.3745","0.0019","18.271","0.003","90","","118.647","0.0009","90","","6163.9","1.7","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C25 H35 B2 F8 N5 O4 Zn -","- C25 H35 B2 F8 N5 O4 Zn -","- C200 H280 B16 F64 N40 O32 Zn8 -","8","1","","Takuya Konno; Kazuya Koide; Takayuki Ishida","A supramolecular switch between ground high- and low-spin states using 2,2':6',2''-terpyridine-6,6''-diyl bis(tert-butyl nitroxide)","Chem.Commun.","2013","49","","5156","","10.1039/c3cc41894d","","","0.71073","MoKα","","","0.0698","","","","0.0837","","","","","","1.164","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109342","8.8827","0.0005","12.1922","0.0005","13.0916","0.0006","90","","93.129","0.004","90","","1415.7","0.12","110","","110","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C23 H31 B2 Cu F8 N5 O4 -","- C23 H31 B2 Cu F8 N5 O4 -","- C46 H62 B4 Cu2 F16 N10 O8 -","2","1","","Takuya Konno; Kazuya Koide; Takayuki Ishida","A supramolecular switch between ground high- and low-spin states using 2,2':6',2''-terpyridine-6,6''-diyl bis(tert-butyl nitroxide)","Chem.Commun.","2013","49","","5156","","10.1039/c3cc41894d","","","0.71073","MoKα","","","0.0462","","","","0.0702","","","","","","1.088","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109343","22.302","0.0016","16.4888","0.0011","12.547","0.0009","90","","117.409","0.0005","90","","4096","0.5","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H29 F15 La N5 O8 -","- C35 H29 F15 La N5 O8 -","- C140 H116 F60 La4 N20 O32 -","4","1","","Takuya Konno; Kazuya Koide; Takayuki Ishida","A supramolecular switch between ground high- and low-spin states using 2,2':6',2''-terpyridine-6,6''-diyl bis(tert-butyl nitroxide)","Chem.Commun.","2013","49","","5156","","10.1039/c3cc41894d","","","0.71073","MoKα","","","0.0644","","","","0.145","","","","","","1.023","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109344","7.7099","0.0016","8.2501","0.0017","11.659","0.002","99.961","0.003","101.13","0.003","92.491","0.003","714.4","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N2 O5 S -","- C14 H12 N2 O5 S -","- C28 H24 N4 O10 S2 -","2","1","","M. Bhanuchandra; M. Ramu Yadav; Raja K. Rit; Malleswara Rao Kuram; Akhila K. Sahoo","Ru(II)-catalyzed intermolecular ortho-C-H amidation of aromatic ketones with sulfonyl azides","Chem.Commun.","2013","49","","5225","","10.1039/c3cc41915k","","","0.71073","MoKα","","0.048","0.0424","","","0.1088","0.1146","","","","","","1.053","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7109345","11.7637","0.0005","8.2529","0.0006","17.2302","0.0009","90","","106.419","0.003","90","","1604.57","0.16","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H15 Cl Co0.5 P -","- C18 H15 Cl Co0.5 P -","- C72 H60 Cl4 Co2 P4 -","4","1","","Fen Yang; Qi Zhou; Yiquan Zhang; Guang Zeng; Guanghua Li; Zhan Shi; Bingwu Wang; Shouhua Feng","Inspiration from old molecules: field-induced slow magnetic relaxation in three air-stable tetrahedral cobalt(II) compounds","Chem.Commun.","2013","49","","5289","","10.1039/c3cc00277b","","","0.71073","MoKα","","0.0349","0.0271","","","0.0663","0.0714","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109346","11.6119","0.0007","19.3669","0.0015","18.253","0.0014","90","","122.107","0.005","90","","3477","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl2 Co O P2 -","- C36 H28 Cl2 Co O P2 -","- C144 H112 Cl8 Co4 O4 P8 -","4","1","","Fen Yang; Qi Zhou; Yiquan Zhang; Guang Zeng; Guanghua Li; Zhan Shi; Bingwu Wang; Shouhua Feng","Inspiration from old molecules: field-induced slow magnetic relaxation in three air-stable tetrahedral cobalt(II) compounds","Chem.Commun.","2013","49","","5289","","10.1039/c3cc00277b","","","0.71073","MoKα","","0.0565","0.0343","","","0.0573","0.0603","","","","","","1.2","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109347","17.021","0.003","10.623","0.002","40.44","0.011","90","","111.06","0.03","90","","6824","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 Cl2 Co O P2 -","- C39 H32 Cl2 Co O P2 -","- C312 H256 Cl16 Co8 O8 P16 -","8","2","","Fen Yang; Qi Zhou; Yiquan Zhang; Guang Zeng; Guanghua Li; Zhan Shi; Bingwu Wang; Shouhua Feng","Inspiration from old molecules: field-induced slow magnetic relaxation in three air-stable tetrahedral cobalt(II) compounds","Chem.Commun.","2013","49","","5289","","10.1039/c3cc00277b","","","0.71073","MoKα","","0.1476","0.056","","","0.1008","0.1256","","","","","","0.969","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7109348","20.4631","0.0002","20.4631","0.0002","16.2871","0.0011","90","","90","","120","","5906.3","0.4","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C54 H108 O18 Zn12 -","- C54 H108 O18 Zn12 -","- C162 H324 O54 Zn36 -","3","0.166667","","Kamil Sokolowski; Wojciech Bury; Iwona Justyniak; Anna M. Cieslak; Malgorzata Wolska; Katarzyna Soltys; Igor Dziecielewski; Janusz Lewinski","Activation of CO2 by tBuZnOH species: efficient routes to novel nanomaterials based on zinc carbonates","Chem.Commun.","2013","49","","5271","","10.1039/c3cc41639a","","","0.71073","MoKα","","0.0515","0.0391","","","0.0786","0.0827","","","","","","1.04","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109349","13.404","0.007","14.372","0.008","30.132","0.012","90","","95.9511","0.0012","90","","5773","5","153","","153","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H55 Cl8 N P4 Rh2 -","- C52.998 H51 Cl7.998 N P4 Rh2 -","- C211.992 H204 Cl31.992 N4 P16 Rh8 -","4","1","","Takayuki Nakajima; Miyuki Sakamoto; Sachi Kurai; Bunsho Kure; Tomoaki Tanase","Reversible dioxygen binding on asymmetric dinuclear rhodium centres","Chem.Commun.","2013","49","","5250","","10.1039/c3cc41815d","","","0.71075","MoKα","","","0.0563","","","","0.1468","","","","","","1.086","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109350","13.687","0.005","14.485","0.006","29.226","0.011","90","","91.683","0.006","90","","5792","4","153","","153","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C60 H69 Cl2 N O2 P4 Rh2 -","- C60 H69 Cl2 N O2 P4 Rh2 -","- C240 H276 Cl8 N4 O8 P16 Rh8 -","4","1","","Takayuki Nakajima; Miyuki Sakamoto; Sachi Kurai; Bunsho Kure; Tomoaki Tanase","Reversible dioxygen binding on asymmetric dinuclear rhodium centres","Chem.Commun.","2013","49","","5250","","10.1039/c3cc41815d","","","0.71075","MoKα","","","0.0585","","","","0.1551","","","","","","1.159","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109351","12.604","0.006","12.861","0.005","20.226","0.009","73.94","0.007","80.98","0.006","74.474","0.007","3024","2","153","","153","","","","","","","","","7","P -1","-P 1","2","","","","- C60 H64.5 Cl2 N5.5 O2 P4 Rh2 -","- C59 H63 Cl2 N5 O2 P4 Rh2 -","- C118 H126 Cl4 N10 O4 P8 Rh4 -","2","1","","Takayuki Nakajima; Miyuki Sakamoto; Sachi Kurai; Bunsho Kure; Tomoaki Tanase","Reversible dioxygen binding on asymmetric dinuclear rhodium centres","Chem.Commun.","2013","49","","5250","","10.1039/c3cc41815d","","","0.71075","MoKα","","","0.0641","","","","0.1934","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109352","29.706","0.015","14.423","0.007","11.405","0.006","90","","90","","90","","4886","4","153","2","153","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C47 H51 Cl4 N O2 P4 Rh2 -","- C47 H51 Cl4 N O2 P4 Rh2 -","- C188 H204 Cl16 N4 O8 P16 Rh8 -","4","1","","Takayuki Nakajima; Miyuki Sakamoto; Sachi Kurai; Bunsho Kure; Tomoaki Tanase","Reversible dioxygen binding on asymmetric dinuclear rhodium centres","Chem.Commun.","2013","49","","5250","","10.1039/c3cc41815d","","","0.71075","MoKα","","","0.0672","","","","0.1825","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109353","17.7336","0.0011","17.7336","0.0011","10.3433","0.0008","90","","90","","120","","2817","0.3","100","2","100","2","","","","","","","","5","P 61","P 61","169","ValZnFor","","","- C12 H19 N2 O6 Zn -","- C12 H15 N2 O6 Zn -","- C72 H90 N12 O36 Zn6 -","6","1","","Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee","Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability","Chem.Commun.","2013","49","","5262","","10.1039/c3cc41842a","","","0.71073","MoKα","","0.0793","0.0711","","","0.1895","0.206","","","","","","1.108","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109354","17.4542","0.0006","17.4542","0.0006","10.3953","0.0003","90","","90","","120","","2742.63","0.16","100","2","100","2","","","","","","","","5","P 61","P 61","169","ValZnOAc","","","- C13 H22 N2 O6 Zn -","- C13 H18 N2 O6 Zn -","- C78 H108 N12 O36 Zn6 -","6","1","","Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee","Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability","Chem.Commun.","2013","49","","5262","","10.1039/c3cc41842a","","","0.71073","MoKα","","0.0586","0.0546","","","0.148","0.1505","","","","","","1.103","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109355","17.4587","0.0002","17.4587","0.0002","10.24475","0.00014","90","","90","","120","","2704.31","0.06","100","2","100","2","","","","","","","","6","P 61","P 61","169","AlaZnCl","","","- C9 H15 Cl N2 O4 Zn -","- C9 H11 Cl N2 O4 Zn -","- C54 H66 Cl6 N12 O24 Zn6 -","6","1","","Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee","Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability","Chem.Commun.","2013","49","","5262","","10.1039/c3cc41842a","","","0.71073","MoKα","","0.0436","0.042","","","0.1237","0.1253","","","","","","1.142","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109356","17.686","0.002","17.686","0.002","10.1964","0.0013","90","","90","","120","","2762.1","0.6","293","2","293","2","","","","","","","","5","P 61","P 61","169","AlaZnFor293K","","","- C10 H12 N2 O4 Zn -","- C10 H12 N2 O4 Zn -","- C60 H72 N12 O24 Zn6 -","6","1","","Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee","Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability","Chem.Commun.","2013","49","","5262","","10.1039/c3cc41842a","","","0.71073","MoKα","","0.1188","0.0564","","","0.1656","0.2546","","","","","","1.045","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109357","8.2288","0.0007","17.0237","0.0014","9.8162","0.0008","90","","106.686","0.009","90","","1317.2","0.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","ValZnBF4","","","- C22 H33 B F4 N4 O5 Zn -","- C22 H31 B F4 N4 O5 Zn -","- C44 H62 B2 F8 N8 O10 Zn2 -","2","1","","Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee","Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability","Chem.Commun.","2013","49","","5262","","10.1039/c3cc41842a","","","0.71073","MoKα","","0.0561","0.0539","","","0.1659","0.1705","","","","","","1.078","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109358","10.765","0.0005","16.6683","0.0007","14.6753","0.0007","90","","100.662","0.004","90","","2587.8","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","ValZnClO4","","","- C22 H33 Cl N4 O9 Zn -","- C22 H31 Cl N4 O9 Zn -","- C88 H124 Cl4 N16 O36 Zn4 -","4","2","","Tanay Kundu; Subash C. Sahoo; Subhadeep Saha; Rahul Banerjee","Salt metathesis in three dimensional metal-organic frameworks (MOFs) with unprecedented hydrolytic regenerability","Chem.Commun.","2013","49","","5262","","10.1039/c3cc41842a","","","0.71073","MoKα","","0.0495","0.0448","","","0.1085","0.1121","","","","","","1.045","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109359","11.382","0.0009","5.6425","0.0006","11.8926","0.001","90","","106.817","0.008","90","","731.11","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H18 O -","- C18 H18 O -","- C36 H36 O2 -","2","1","","Zhenni Ma; Fang Xie; Han Yu; Yiren Zhang; Xiaoting Wu; Wanbin Zhang","Copper-catalyzed asymmetric 1,4-conjugate addition of Grignard reagents to linear alpha,beta,gamma,delta-unsaturated ketones","Chem.Commun.","2013","49","","5292","","10.1039/c3cc42088d","","","0.71073","MoKα","","0.0735","0.0409","","","0.063","0.0719","","","","","","0.954","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109360","14.4427","0.0008","21.5076","0.0012","15.8649","0.0008","90","","109.811","0.001","90","","4636.4","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H37 Cl6 N5 O13 -","- C42 H37 Cl6 N5 O13 -","- C168 H148 Cl24 N20 O52 -","4","1","","Chang Sun; Changliang Ren; Yuchen Wei; Bo Qin; Huaqiang Zeng","Patterned recognition of amines and ammonium ions by a stimuli-responsive foldamer-based hexameric oligophenol host","Chem.Commun.","2013","49","","5307","","10.1039/c3cc42349b","","","0.71073","MoKα","","0.0951","0.0708","","","0.2032","0.2233","","","","","","1.049","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109361","11.7587","0.0006","19.9823","0.0009","20.7892","0.0011","87.324","0.002","87.101","0.002","84.7857","0.0019","4854","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C81 H87 B3 F6 N6 O6 -","- C81 H87 B3 F6 N6 O6 -","- C162 H174 B6 F12 N12 O12 -","2","1","","Hiromitsu Maeda; Tomohiro Shirai; Shinobu Uemura","Anion-driven structures of radially arranged anion receptor oligomers","Chem.Commun.","2013","49","","5310","","10.1039/c3cc42441c","","","1.54187","CuKα","","0.2327","0.1014","","","0.1901","0.2206","","","","","","1.036","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109362","10.5826","0.0004","10.9562","0.0004","13.5953","0.0004","94.776","0.002","95.113","0.002","107.929","0.002","1483.57","0.09","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H68 B2 Cl4 F4 N4 O4 -","- C66 H68 B2 Cl4 F4 N4 O4 -","- C66 H68 B2 Cl4 F4 N4 O4 -","1","0.5","","Hiromitsu Maeda; Tomohiro Shirai; Shinobu Uemura","Anion-driven structures of radially arranged anion receptor oligomers","Chem.Commun.","2013","49","","5310","","10.1039/c3cc42441c","","","1.54187","CuKα","","0.0854","0.0596","","","0.1503","0.1706","","","","","","1.097","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109363","10.178","0.003","19.832","0.005","14.229","0.004","90","","107.156","0.004","90","","2744.3","1.3","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C49 H42 Cl F9 Mn2 N10 O13 S3 -","- C49 H42 Cl F9 Mn2 N10 O13 S3 -","- C98 H84 Cl2 F18 Mn4 N20 O26 S6 -","2","1","","Domenick F. Leto; Rena Ingram; Victor W. Day; Timothy A. Jackson","Spectroscopic properties and reactivity of a mononuclear oxomanganese(IV) complex","Chem.Commun.","2013","49","","5378","","10.1039/c3cc00244f","","","0.71073","MoKα","","0.0738","0.0598","","","0.1186","0.1246","","","","","","0.988","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109364","14.7404","0.0014","15.015","0.0015","15.4645","0.0015","71.01","0.002","87.452","0.002","74.597","0.002","3116.9","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H84 S6 Si4 -","- C60 H84 S6 Si4 -","- C120 H168 S12 Si8 -","2","1","","Tohru Nishinaga; Takeshi Ohmae; Kazunari Aita; Masayoshi Takase; Masahiko Iyoda; Tatsuya Arai; Yoshihito Kunugi","Antiaromatic planar cyclooctatetraene: a strategy for developing ambipolar semiconductors for field effect transistors","Chem.Commun.","2013","49","","5354","","10.1039/c3cc41764f","","","0.71073","MoKα","","0.0555","0.0419","","","0.1174","0.1378","","","","","","1.052","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109365","10.9939","0.0002","6.7391","0.0001","12.6864","0.0003","90","","111.328","0.001","90","","875.55","0.03","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H20 O8 -","- C19 H20 O8 -","- C38 H40 O16 -","2","1","","Xuequan Wang; Hongbin Zhang; Xiaodong Yang; Jingfeng Zhao; Chengxue Pan","Enantioselective total synthesis of (+)-brazilin, (-)-brazilein and (+)-brazilide A","Chem.Commun.","2013","49","","5405","","10.1039/c3cc42385a","","","1.54178","CuKα","","0.0279","0.0278","","","0.0718","0.0719","","","","","","1.097","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109366","19.082","0.004","8.1761","0.0016","12.919","0.003","90","","105.231","0.003","90","","1944.8","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 O8 -","- C23 H18 O8 -","- C92 H72 O32 -","4","1","","Xuequan Wang; Hongbin Zhang; Xiaodong Yang; Jingfeng Zhao; Chengxue Pan","Enantioselective total synthesis of (+)-brazilin, (-)-brazilein and (+)-brazilide A","Chem.Commun.","2013","49","","5405","","10.1039/c3cc42385a","","","0.71073","MoKα","","0.0675","0.0469","","","0.1263","0.1455","","","","","","1.079","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109367","10.6632","0.0013","11.2585","0.0014","19.059","0.002","90","","90","","90","","2288.1","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 Br N O3 S -","- C22 H26 Br N O3 S -","- C88 H104 Br4 N4 O12 S4 -","4","1","","Tao Guo; Ran Song; Bin-Hua Yuan; Xiao-Yang Chen; Xing-Wen Sun; Guo-Qiang Lin","Highly efficient asymmetric construction of quaternary carbon-containing homoallylic and homopropargylic amines","Chem.Commun.","2013","49","","5402","","10.1039/c3cc42481b","","","0.71073","MoKα","","0.0501","0.0324","","","0.0712","0.0787","","","","","","0.969","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109368","6.208","0.0009","14.513","0.002","19.432","0.003","90","","90","","90","","1750.8","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H27 N O3 S -","- C15 H27 N O3 S -","- C60 H108 N4 O12 S4 -","4","1","","Tao Guo; Ran Song; Bin-Hua Yuan; Xiao-Yang Chen; Xing-Wen Sun; Guo-Qiang Lin","Highly efficient asymmetric construction of quaternary carbon-containing homoallylic and homopropargylic amines","Chem.Commun.","2013","49","","5402","","10.1039/c3cc42481b","","","0.71073","MoKα","","0.0799","0.0444","","","0.0826","0.0976","","","","","","1.039","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109369","9.2088","0.0019","10.632","0.002","10.884","0.002","90","","108.969","0.002","90","","1007.8","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C38 H58 N2 O6 S2 -","2","1","","Tao Guo; Ran Song; Bin-Hua Yuan; Xiao-Yang Chen; Xing-Wen Sun; Guo-Qiang Lin","Highly efficient asymmetric construction of quaternary carbon-containing homoallylic and homopropargylic amines","Chem.Commun.","2013","49","","5402","","10.1039/c3cc42481b","","","0.71073","MoKα","","0.0427","0.0358","","","0.0874","0.106","","","","","","1.1","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109370","9.61","0.0014","11.5839","0.0017","12.0682","0.0018","90","","90","","90","","1343.4","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 Cl N O S -","- C12 H16 Cl N O S -","- C48 H64 Cl4 N4 O4 S4 -","4","1","","Tao Guo; Ran Song; Bin-Hua Yuan; Xiao-Yang Chen; Xing-Wen Sun; Guo-Qiang Lin","Highly efficient asymmetric construction of quaternary carbon-containing homoallylic and homopropargylic amines","Chem.Commun.","2013","49","","5402","","10.1039/c3cc42481b","","","0.71073","MoKα","","0.037","0.0304","","","0.0745","0.0782","","","","","","1.069","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109371","5.615","0.016","10.35","0.03","11.29","0.03","90","","102.9","0.03","90","","640","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O S -","- C11 H14 Cl N O S -","- C22 H28 Cl2 N2 O2 S2 -","2","1","","Tao Guo; Ran Song; Bin-Hua Yuan; Xiao-Yang Chen; Xing-Wen Sun; Guo-Qiang Lin","Highly efficient asymmetric construction of quaternary carbon-containing homoallylic and homopropargylic amines","Chem.Commun.","2013","49","","5402","","10.1039/c3cc42481b","","","0.71073","MoKα","","0.0508","0.0352","","","0.08","0.0995","","","","","","1.153","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109372","10.098","0.002","19.944","0.005","10.579","0.002","90","","103.041","0.005","90","","2075.6","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 F6 N3 P -","- C16 H26 F6 N3 P -","- C64 H104 F24 N12 P4 -","4","1","","Hannes Buhl; Christian Ganter","Tuning the electronic properties of an N-heterocyclic carbene by charge and mesomeric effects","Chem.Commun.","2013","49","","5417","","10.1039/c3cc42547a","","","0.71073","MoKα","","0.0825","0.0691","","","0.1403","0.145","","","","","","1.183","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109373","6.6711","0.0011","12.796","0.002","14.462","0.002","102.692","0.011","92.911","0.011","104.75","0.011","1157.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H21 F6 N3 O6 S2 -","- C15 H21 F6 N3 O6 S2 -","- C30 H42 F12 N6 O12 S4 -","2","1","","Hannes Buhl; Christian Ganter","Tuning the electronic properties of an N-heterocyclic carbene by charge and mesomeric effects","Chem.Commun.","2013","49","","5417","","10.1039/c3cc42547a","","","0.71073","MoKα","","0.0999","0.0679","","","0.1939","0.2067","","","","","","1.121","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109374","11.8317","0.0019","11.9035","0.0019","20.77","0.003","90","","90","","90","","2925.2","0.8","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 Cl F6 Ir N3 P -","- C25 H40 Cl F6 Ir N3 P -","- C100 H160 Cl4 F24 Ir4 N12 P4 -","4","1","","Hannes Buhl; Christian Ganter","Tuning the electronic properties of an N-heterocyclic carbene by charge and mesomeric effects","Chem.Commun.","2013","49","","5417","","10.1039/c3cc42547a","","","0.71073","MoKα","","0.02","0.0184","","","0.0401","0.0405","","","","","","0.991","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109375","9.4413","0.0002","15.6524","0.0003","9.8374","0.0002","90","","114.578","0.0014","90","","1322.05","0.05","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl N O3 S -","- C14 H12 Cl N O3 S -","- C56 H48 Cl4 N4 O12 S4 -","4","2","","Takahiro Nishimura; Yusuke Ebe; Hiroto Fujimoto; Tamio Hayashi","Asymmetric synthesis of gem-diaryl substituted cyclic sulfamidates and sulfamides by rhodium-catalyzed arylation of cyclic ketimines","Chem.Commun.","2013","49","","5504","","10.1039/c3cc42071j","","","1.54187","CuKα","","0.0598","0.0505","","","0.1243","0.1379","","","","","","1.02","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109376","25.8234","0.0012","16.4939","0.0005","18.2042","0.0008","90","","116.278","0.006","90","","6952.4","0.6","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H98 Cu2 N4 O2 S2 Si2 -","- C72 H98 Cu2 N4 O2 S2 Si2 -","- C288 H392 Cu8 N16 O8 S8 Si8 -","4","0.5","","Gengwen Tan; Yun Xiong; Shigeyoshi Inoue; Stephan Enthaler; Burgert Blom; Jan D. Epping; Matthias Driess","From elusive thio- and selenosilanoic acids to copper(I) complexes with intermolecular Si[double bond,length as m-dash]E > Cu-O-Si coordination modes(E=S,Se)","Chem.Commun.","2013","49","","5595","","10.1039/c3cc41965g","","","0.71073","MoKα","","0.0572","0.0448","","","0.09","0.0942","","","","","","1.099","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109377","10.6226","0.0007","13.2004","0.0007","14.9165","0.0008","76.004","0.004","75.594","0.005","73.587","0.005","1909.9","0.2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H59 N4 O Se Si -","- C39 H59 N4 O Se Si -","- C78 H118 N8 O2 Se2 Si2 -","2","1","","Gengwen Tan; Yun Xiong; Shigeyoshi Inoue; Stephan Enthaler; Burgert Blom; Jan D. Epping; Matthias Driess","From elusive thio- and selenosilanoic acids to copper(I) complexes with intermolecular Si[double bond,length as m-dash]E > Cu-O-Si coordination modes(E=S,Se)","Chem.Commun.","2013","49","","5595","","10.1039/c3cc41965g","","","0.71073","MoKα","","0.0483","0.0387","","","0.0755","0.0788","","","","","","1.042","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109378","11.9792","0.0005","12.6053","0.0006","14.1703","0.0005","79.437","0.003","85.487","0.003","73.996","0.004","2021.05","0.15","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H57 Cu N2 O Se Si -","- C43 H57 Cu N2 O Se Si -","- C86 H114 Cu2 N4 O2 Se2 Si2 -","2","1","","Gengwen Tan; Yun Xiong; Shigeyoshi Inoue; Stephan Enthaler; Burgert Blom; Jan D. Epping; Matthias Driess","From elusive thio- and selenosilanoic acids to copper(I) complexes with intermolecular Si[double bond,length as m-dash]E > Cu-O-Si coordination modes(E=S,Se)","Chem.Commun.","2013","49","","5595","","10.1039/c3cc41965g","","","0.71073","MoKα","","0.0608","0.044","","","0.0927","0.0991","","","","","","1.058","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109379","12.7608","0.0018","9.1868","0.0015","13.945","0.002","90","","97.291","0.01","90","","1621.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 Cl2 O Rh -","- C14 H23 Cl2 O Rh -","- C56 H92 Cl8 O4 Rh4 -","4","1","","Stephanie J. Lucas; Benjamin D. Crossley; Alan J. Pettman; Antony D. Vassileiou; Thomas E. O. Screen; A. John Blacker; Patrick C. McGowan","A robust method to heterogenise and recycle group 9 catalysts","Chem.Commun.","2013","49","","5562","","10.1039/c3cc42550a","","","0.71073","MoKα","","0.1717","0.1103","","","0.2833","0.3301","","","","","","1.035","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109380","12.575","0.009","19.91","0.03","21.36","0.04","85.44","0.13","81.52","0.11","86.29","0.1","5265","13","122","1","122","1","","","","","","","","8","P -1","-P 1","2","","","","- C40.35 H24.35 Cl1.05 Cr F26 Gd N4 O8 -","- C40.35 H24.35 Cl1.05 Cr F26 Gd N4 O8 -","- C161.4 H97.4 Cl4.2 Cr4 F104 Gd4 N16 O32 -","4","2","","Saurabh Kumar Singh; Kasper S. Pedersen; Marc Sigrist; Christian Aa. Thuesen; Magnus Schau-Magnussen; Hannu Mutka; Stergios Piligkos; Hogni Weihe; Gopalan Rajaraman; Jesper Bendix","Angular dependence of the exchange interaction in fluoride-bridged GdIII-CrIII complexes","Chem.Commun.","2013","49","","5583","","10.1039/c3cc42552e","","","0.71073","MoKα","","0.1471","0.0892","","","0.1983","0.239","","","","","","1.016","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109381","17.582","0.0003","10.16276","0.00018","16.1577","0.0003","90","","107.583","0.008","90","","2752.2","0.15","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 B3 N O6 -","- C25 H42 B3 N O6 -","- C100 H168 B12 N4 O24 -","4","1","","Tsuyoshi Mita; Yuto Ikeda; Kenichi Michigami; Yoshihiro Sato","Iridium-catalyzed triple C(sp3)-H borylations: construction of triborylated sp3-carbon centers","Chem.Commun.","2013","49","","5601","","10.1039/c3cc42675k","","","1.54187","CuKα","","","0.0367","","","","0.0975","","","","","","1.067","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109382","9.363","0.004","9.547","0.004","17.518","0.008","88.664","0.012","87.459","0.013","61.355","0.007","1372.9","1","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H37 Au Cl2 N2 -","- C27 H37 Au Cl2 N2 -","- C54 H74 Au2 Cl4 N4 -","2","1","","Alba Collado; Adrian Gomez-Suarez; Anthony R. Martin; Alexandra M. Z. Slawin; Steven P. Nolan","Straightforward synthesis of [Au(NHC)X] (NHC = N-heterocyclic carbene, X = Cl, Br, I) complexes","Chem.Commun.","2013","49","","5541","","10.1039/c3cc43076f","","","0.71075","MoKα","","","0.1977","","","","0.5165","","","","","","1.231","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109383","31.069","0.003","11.3527","0.0009","18.8004","0.0015","90","","103.228","0.008","90","","6455.3","1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H47 Au Cl2 N2 -","- C31.5 H47 Au Cl2 N2 -","- C252 H376 Au8 Cl16 N16 -","8","2","","Alba Collado; Adrian Gomez-Suarez; Anthony R. Martin; Alexandra M. Z. Slawin; Steven P. Nolan","Straightforward synthesis of [Au(NHC)X] (NHC = N-heterocyclic carbene, X = Cl, Br, I) complexes","Chem.Commun.","2013","49","","5541","","10.1039/c3cc43076f","","","0.71075","MoKα","","","0.057","","","","0.0921","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109384","19.7786","0.0003","19.9182","0.0003","16.8816","0.0003","90","","91.718","0.002","90","","6647.59","0.18","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cu2 N4 -","- C18 H18 Cu2 N4 -","- C288 H288 Cu32 N64 -","16","2","","Tian Wen; De-Xiang Zhang; Juan Liu; Rui Lin; Jian Zhang","A multifunctional helical Cu(I) coordination polymer with mechanochromic, sensing and photocatalytic properties","Chem.Commun.","2013","49","","5660","","10.1039/c3cc42241k","","","1.54178","CuKα","","0.0441","0.042","","","0.1241","0.1255","","","","","","1.065","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109385","9.1775","0.0002","10.7628","0.0002","16.9499","0.0005","90","","107.577","0.002","90","","1596.07","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","((2S, 3S)-1-(4-methoxyphenyl)-2-(pyridin-4-yl)piperidin-3-yl)methanol","","- C18 H22 N2 O2 -","- C18 H22 N2 O2 -","- C72 H88 N8 O8 -","4","2","","Indresh Kumar; Panduga Ramaraju; Nisar A. Mir; Deepika Singh; Vivek K. Gupta","Highly enantioselective [4+2] annulation via organocatalytic Mannich-reductive cyclization: one-pot synthesis of functionalized piperidines","Chem.Commun.","2013","49","","5645","","10.1039/c3cc42431f","","","0.71073","MoKα","","0.0799","0.0526","","","0.1239","0.1359","","","","","","1.035","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109386","23.5957","0.0018","9.4893","0.0006","7.7521","0.0005","90","","90","","90","","1735.7","0.2","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Ji Hee Kim; Devalina Ray; Chang Seop Hong; Jin Wook Hana; Chang Ho Oh","1,3-Dipolar cycloaddition of 4-platinumisochromenyliums with an olefin and tandem insertion into benzylic C-H bonds","Chem.Commun.","2013","49","","5690","","10.1039/c3cc42525h","","","0.71073","mokα","","0.1273","0.0542","","","0.1157","0.1511","","","","","","0.906","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109387","18.1523","0.0018","18.4758","0.0019","9.9808","0.001","90","","90","","90","","3347.3","0.6","296","2","296","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C176 H176 O16 -","8","1","","Ji Hee Kim; Devalina Ray; Chang Seop Hong; Jin Wook Hana; Chang Ho Oh","1,3-Dipolar cycloaddition of 4-platinumisochromenyliums with an olefin and tandem insertion into benzylic C-H bonds","Chem.Commun.","2013","49","","5690","","10.1039/c3cc42525h","","","0.71073","MoKα","","0.0984","0.0631","","","0.1521","0.181","","","","","","0.994","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109388","8.6562","0.0009","19.9373","0.0018","12.6769","0.0015","90","","102.331","0.012","90","","2137.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H10 F3 N O -","- C11 H10 F3 N O -","- C88 H80 F24 N8 O8 -","8","2","","Yu-Tao He; Lian-Hua Li; Yan-Fang Yang; Yu-Qi Wang; Jian-Yi Luo; Xue-Yuan Liu; Yong-Min Liang","Copper-catalyzed synthesis of trifluoromethyl-substituted isoxazolines","Chem.Commun.","2013","49","","5687","","10.1039/c3cc42588f","","","0.71073","MoKα","","0.2245","0.1012","","","0.2881","0.3854","","","","","","1.029","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109389","6.894","0.004","10.276","0.006","18.762","0.011","89.999","0.013","86.53","0.016","86.072","0.014","1323.6","1.3","103","2","103","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H24 B F4 N4 Na O6 Pd2 -","- C26 H24 B F4 N4 Na O6 Pd2 -","- C52 H48 B2 F8 N8 Na2 O12 Pd4 -","2","1","","Tetsushi Yoshidomi; Yasutomo Segawa; Kenichiro Itami","Pyridine-based dicarbene ligand; synthesis and structure of a bis-2-pyridylidene palladium complex","Chem.Commun.","2013","49","","5648","","10.1039/c3cc42655f","","","0.71075","MoKα","","0.0561","0.0476","","","0.114","0.1205","","","","","","1.095","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109390","11.8013","0.0007","9.4307","0.0006","44.208","0.003","90","","92.807","0.003","90","","4914.2","0.5","103.15","","103","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H49 B2 Cl F8 N4 P2 Pd -","- C52 H49 B2 Cl F8 N4 P2 Pd -","- C208 H196 B8 Cl4 F32 N16 P8 Pd4 -","4","1","","Tetsushi Yoshidomi; Yasutomo Segawa; Kenichiro Itami","Pyridine-based dicarbene ligand; synthesis and structure of a bis-2-pyridylidene palladium complex","Chem.Commun.","2013","49","","5648","","10.1039/c3cc42655f","","","0.71075","MoKα","","0.0411","0.0382","","","0.0902","0.0923","","","","","","1.067","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109391","6.8562","0.0012","20.45","0.004","9.9565","0.0018","90","","102.657","0.002","90","","1362.1","0.4","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H12 N2 O5 Pd -","- C13 H12 N2 O5 Pd -","- C52 H48 N8 O20 Pd4 -","4","1","","Tetsushi Yoshidomi; Yasutomo Segawa; Kenichiro Itami","Pyridine-based dicarbene ligand; synthesis and structure of a bis-2-pyridylidene palladium complex","Chem.Commun.","2013","49","","5648","","10.1039/c3cc42655f","","","0.7107","MoKα","","0.0327","0.0289","","","0.0713","0.0738","","","","","","1.067","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109392","24.864","0.0004","24.0808","0.0003","15.1854","0.0003","90","","96.5311","0.0018","90","","9033.2","0.3","173","","173","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H26 Cl2 O3 S3 -","- C31 H26 Cl2 O3 S3 -","- C372 H312 Cl24 O36 S36 -","12","3","","Michael S. Inkpen; Andrew J. P. White; Tim Albrecht; Nicholas J. Long","Rapid Sonogashira cross-coupling of iodoferrocenes and the unexpected cyclo-oligomerization of 4-ethynylphenylthioacetate","Chem.Commun.","2013","49","","5663","","10.1039/c3cc43116a","","","0.71073","MoKα","","0.0664","0.0489","","","0.1315","0.147","","","","","","1.057","","","","has coordinates,has disorder","180197","2020-10-21","18:00:00",""
"7109393","17.5751","0.001","44.611","0.003","19.336","0.0012","90","","111.063","0.001","90","","14147.3","1.5","173","2","173","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C109 H103 Cu4 F24 N37 O34 S8 -","- C106 H94 Cu4 F24 N34 O28 S8 -","- C424 H376 Cu16 F96 N136 O112 S32 -","4","1","","Adrian-Mihail Stadler; Christophe Burg; Juan Ramirez; Jean-Marie Lehn","Grid-double-helicate interconversion","Chem.Commun.","2013","49","","5733","","10.1039/c3cc38580a","","","0.71073","MoKα","","0.1256","0.092","","","0.2495","0.2745","","","","","","1.004","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109394","10.7122","0.0004","10.8416","0.0005","11.2497","0.0005","103.975","0.002","94.023","0.002","103.426","0.002","1222.11","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 F10 N4 -","- C54 H42 F10 N4 -","- C54 H42 F10 N4 -","1","0.5","","P.S.Salini; K.S.Anju; M.L.P.Reddy; A. Srinivasan","Syntheses of normal, expanded, strapped and N-confused calixbenzophyrins from a single starting material","Chem.Commun.","2013","49","","5769","","10.1039/c3cc41601a","","","0.71073","MoKα","","0.0609","0.0398","","","0.1","0.1192","","","","","","1.053","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109395","18.1032","0.0014","13.7944","0.0009","27.4477","0.0019","90","","109.182","0.002","90","","6473.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H42 F20 N4 O -","- C68 H42 F20 N4 O -","- C272 H168 F80 N16 O4 -","4","1","","P.S.Salini; K.S.Anju; M.L.P.Reddy; A. Srinivasan","Syntheses of normal, expanded, strapped and N-confused calixbenzophyrins from a single starting material","Chem.Commun.","2013","49","","5769","","10.1039/c3cc41601a","","","0.71073","MoKα","","0.086","0.0663","","","0.1961","0.211","","","","","","1.069","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109396","42.98","0.005","17.0154","0.0012","23.447","0.003","90","","109.853","0.007","90","","16128","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H55 Mo13 N9 O38 -","- C45 H44.5 Mo13 N9 O38 -","- C360 H356 Mo104 N72 O304 -","8","1","","Wei-Peng Chen; Rui-Li Sang; Yi Wang; Li Xu","An unprecedented [MoIV3O4]-incorporated polyoxometalate concomitant with MoO2 nucleophilic addition","Chem.Commun.","2013","49","","5883","","10.1039/c3cc41954a","","","0.71073","MoKα","","0.0741","0.0646","","","0.1688","0.177","","","","","","1.396","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109397","27.2309","0.0004","11.3692","0.0002","13.2763","0.0002","90","","90","","90","","4110.26","0.11","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H25 Co F6 N P -","- C18 H25 Co F6 N P -","- C144 H200 Co8 F48 N8 P8 -","8","2","","Yanlan Wang; Amalia Rapakousiou; Camille Latouche; Jean-Claude Daran; Anu Singh; Isabelle Ledoux-Rak; Jaime Ruiz; Jean-Yves Saillard; Didier Astruc","Mild uncatalyzed hydroamination of an electrophilic alkyne, ethynylcobalticinium","Chem.Commun.","2013","49","","5862","","10.1039/c3cc42211a","","","0.71073","MoKα","","0.0376","0.0316","","","0.0681","0.0712","","","","","","1.058","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109398","6.0887","0.0001","18.7001","0.0001","19.5479","0.0001","90","","90","","90","","2225.71","0.04","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 N4 O5 -","- C27 H22 N4 O5 -","- C108 H88 N16 O20 -","4","1","","Zhi-Jun Ji; Kun Jiang; Qing-Qing Zhou; Lin Dong; Ying-Chun Chen","Amine-N-heterocyclic carbene cascade catalysis for the asymmetric synthesis of fused indane derivatives with multiple chiral centres","Chem.Commun.","2013","49","","5892","","10.1039/c3cc42823k","","","1.54184","CuKα","","0.0258","0.0256","","","0.0669","0.0672","","","","","","1.069","","","","has coordinates","180197","2020-10-21","18:00:00",""
"7109399","11.2601","0.0009","20.5822","0.0015","23.0476","0.0014","90","","109.272","0.003","90","","5042.1","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H51 B20 P2 Ru S3 -","- C40 H51 B20 P2 Ru S3 -","- C160 H204 B80 P8 Ru4 S12 -","4","1","","Jiang, Qibai; Wang, Zhaojin; Li, Yizhi; Yan, Hong","Heterolytic H2 splitting across a Ru‒S bond leading to the replacement of S by O in the carborane-dithiolato ligand of a 15-electron Ru(III) complex","Chemical Communications (Cambridge, United Kingdom)","2013","49","52","5880","5882","10.1039/c3cc42554a","","","0.71073","MoKα","","0.0885","0.0474","","","0.102","0.118","","","","","","0.967","","","","has coordinates","210890","2020-10-21","18:00:00",""
"7109400","12.272","0.008","20.26","0.013","21.918","0.012","90","","115.42","0.03","90","","4922","5","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H194 B120 O3 P4 Ru4 S16 -","- C96 H194 B120 O3 P4 Ru4 S16 -","- C96 H194 B120 O3 P4 Ru4 S16 -","1","0.25","","Jiang, Qibai; Wang, Zhaojin; Li, Yizhi; Yan, Hong","Heterolytic H2 splitting across a Ru‒S bond leading to the replacement of S by O in the carborane-dithiolato ligand of a 15-electron Ru(III) complex","Chemical Communications (Cambridge, United Kingdom)","2013","49","52","5880","5882","10.1039/c3cc42554a","","","0.71073","MoKα","","0.0859","0.0566","","","0.086","0.0913","","","","","","1.021","","","","has coordinates","210890","2020-10-21","18:00:00",""
"7109401","11.1116","0.0011","21.748","0.002","20.813","0.002","90","","93.837","0.002","90","","5018.3","0.8","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C160 H206 B80 O5 P8 Ru4 S8 -","- C160 H206 B80 O5 P8 Ru4 S8 -","- C160 H206 B80 O5 P8 Ru4 S8 -","1","0.25","","Jiang, Qibai; Wang, Zhaojin; Li, Yizhi; Yan, Hong","Heterolytic H2 splitting across a Ru‒S bond leading to the replacement of S by O in the carborane-dithiolato ligand of a 15-electron Ru(III) complex","Chemical Communications (Cambridge, United Kingdom)","2013","49","52","5880","5882","10.1039/c3cc42554a","","","0.71073","MoKα","","0.1242","0.0495","","","0.1271","0.1629","","","","","","1.05","","","","has coordinates","210890","2020-10-21","18:00:00",""
"7109402","11.9674","0.0011","20.4772","0.0019","21.38","0.0016","90","","115.859","0.004","90","","4714.7","0.7","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H190 B120 O5 P4 Ru4 S12 -","- C96 H190 B120 O5 P4 Ru4 S12 -","- C96 H190 B120 O5 P4 Ru4 S12 -","1","0.25","","Jiang, Qibai; Wang, Zhaojin; Li, Yizhi; Yan, Hong","Heterolytic H2 splitting across a Ru‒S bond leading to the replacement of S by O in the carborane-dithiolato ligand of a 15-electron Ru(III) complex","Chemical Communications (Cambridge, United Kingdom)","2013","49","52","5880","5882","10.1039/c3cc42554a","","","0.71073","MoKα","","0.0942","0.0558","","","0.1132","0.1204","","","","","","1.007","","","","has coordinates","210890","2020-10-21","18:00:00",""
"7109403","6.504","0.0004","16.2802","0.001","12.2719","0.0008","90","","100.422","0.002","90","","1277.99","0.14","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(cobalt tetracarbonyl) mercury (II)","bis(cobalt tetracarbonyl) mercury (II)","","- C8 Co2 Hg O8 -","- C8 Co2 Hg O8 -","- C32 Co8 Hg4 O32 -","4","1","","Faye L. Bowles; Marilyn M. Olmstead; Christine M. Beavers; Alan L. Balch","Reshaping molecules through cocrystallization. Comparison of the structures of Hg{Co(CO)4}2 and Hg{Co(CO)4}2*00B7;C60*00B7;toluene","Chem.Commun.","2013","49","","5921","","10.1039/c3cc41773e","","","0.71073","MoKα","","0.0237","0.0218","","","0.0514","0.052","","","","","","1.157","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109404","10.1012","0.0004","13.6265","0.0006","32.2524","0.0013","90","","90","","90","","4439.3","0.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Hg[Co(CO)4)]2.C60.toluene","","","- C75 H8 Co2 Hg O8 -","- C75 H8 Co2 Hg O8 -","- C300 H32 Co8 Hg4 O32 -","4","0.5","","Faye L. Bowles; Marilyn M. Olmstead; Christine M. Beavers; Alan L. Balch","Reshaping molecules through cocrystallization. Comparison of the structures of Hg{Co(CO)4}2 and Hg{Co(CO)4}2*00B7;C60*00B7;toluene","Chem.Commun.","2013","49","","5921","","10.1039/c3cc41773e","","","0.7749","Synchrotron","","0.0565","0.049","","","0.1027","0.1061","","","","","","1.2","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109405","12.103","0.0011","21.0076","0.0013","16.8156","0.0009","90","","97.335","0.006","90","","4240.5","0.5","110","2","110","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C72 H72 N8 -","- C72 H72 N8 -","- C144 H144 N16 -","2","1","","Fan Yang; Zhigang Wang; Feijie Song; Xingyan Liu; Jingbo Lan; Jingsong You","One-step synthesis of imidazoline-containing macrocycles and their complexation with fullerenes C60 and C70","Chem.Commun.","2013","49","","5975","","10.1039/c3cc42640h","","","0.71073","MoKα","","0.1635","0.0671","","","0.1354","0.1544","","","","","","0.697","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109406","16.8745","0.0007","16.8745","0.0007","21.0124","0.0014","90","","90","","120","","5181.7","0.5","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C66 H134 Cu6 N12 O37 -","- C66 H119.91 Cu6 N12 O37 -","- C132 H239.82 Cu12 N24 O74 -","2","0.333333","","Thais Grancha; Jesus Ferrando-Soria; Joan Cano; Francesc Lloret; Miguel Julve; Giovanni De Munno; Donatella Armentano; Emilio Pardo","Enantioselective self-assembly of antiferromagnetic hexacopper(II) wheels with chiral amino acid oxamates","Chem.Commun.","2013","49","","5942","","10.1039/c3cc42776e","","","0.71073","MoKα","","0.0731","0.0595","","","0.1629","0.1842","","","","","","1.156","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109407","16.7208","0.0004","16.7208","0.0004","20.8549","0.0008","90","","90","","120","","5049.6","0.3","296","2","296","2","","","","","","","","5","P 63","P 6c","173","","","","- C66 H134 Cu6 N12 O37 -","- C66 H119.91 Cu6 N12 O37 -","- C132 H239.82 Cu12 N24 O74 -","2","0.333333","","Thais Grancha; Jesus Ferrando-Soria; Joan Cano; Francesc Lloret; Miguel Julve; Giovanni De Munno; Donatella Armentano; Emilio Pardo","Enantioselective self-assembly of antiferromagnetic hexacopper(II) wheels with chiral amino acid oxamates","Chem.Commun.","2013","49","","5942","","10.1039/c3cc42776e","","","0.71073","MoKα","","0.0745","0.0611","","","0.1637","0.1831","","","","","","1.144","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109408","10.995","0.003","13.281","0.004","13.404","0.004","92.598","0.004","108.215","0.004","99.61","0.004","1823.2","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 N4 O Zn -","- C48 H33 N4 O Zn -","- C96 H66 N8 O2 Zn2 -","2","1","","Tomoya Ishizuka; Yuta Saegusa; Yoshihito Shiota; Kazuhisa Ohtake; Kazunari Yoshizaw; Takahiko Kojima","Multiply-fused porphyrins-effects of extended pi-conjugation on the optical and electrochemical properties","Chem.Commun.","2013","49","","5939","","10.1039/c3cc42831a","","","0.71073","MoKα","","0.1191","0.0825","","","0.2095","0.2244","","","","","","1.072","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109409","13.9576","0.0014","8.0178","0.0008","25.842","0.003","90","","98.153","0.001","90","","2862.7","0.5","116","2","116","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 N4 Zn -","- C44 H24 N4 Zn -","- C176 H96 N16 Zn4 -","4","1","","Tomoya Ishizuka; Yuta Saegusa; Yoshihito Shiota; Kazuhisa Ohtake; Kazunari Yoshizaw; Takahiko Kojima","Multiply-fused porphyrins-effects of extended pi-conjugation on the optical and electrochemical properties","Chem.Commun.","2013","49","","5939","","10.1039/c3cc42831a","","","0.71073","MoKα","","0.0433","0.0356","","","0.0941","0.0986","","","","","","1.055","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109410","8.01","0.004","13.436","0.006","26.359","0.011","90","","97.647","0.006","90","","2812","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H22 N4 Zn -","- C44 H22 N4 Zn -","- C176 H88 N16 Zn4 -","4","1","","Tomoya Ishizuka; Yuta Saegusa; Yoshihito Shiota; Kazuhisa Ohtake; Kazunari Yoshizaw; Takahiko Kojima","Multiply-fused porphyrins-effects of extended pi-conjugation on the optical and electrochemical properties","Chem.Commun.","2013","49","","5939","","10.1039/c3cc42831a","","","0.71073","MoKα","","0.1588","0.0814","","","0.1467","0.176","","","","","","1.032","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109411","13.62","0.0015","16.327","0.0018","16.8358","0.0019","90","","94.124","0.002","90","","3734.1","0.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H25 N5 Zn -","- C49 H25 N5 Zn -","- C196 H100 N20 Zn4 -","4","1","","Tomoya Ishizuka; Yuta Saegusa; Yoshihito Shiota; Kazuhisa Ohtake; Kazunari Yoshizaw; Takahiko Kojima","Multiply-fused porphyrins-effects of extended pi-conjugation on the optical and electrochemical properties","Chem.Commun.","2013","49","","5939","","10.1039/c3cc42831a","","","0.71073","MoKα","","0.087","0.0498","","","0.1091","0.1198","","","","","","1.029","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109412","12.5547","0.0008","16.6467","0.0011","18.4622","0.0011","84.62","0.004","72.861","0.003","80.747","0.004","3634.8","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H82 Au2 F6 N8 O6 S2 -","- C67 H82 Au2 F6 N8 O6 S2 -","- C134 H164 Au4 F12 N16 O12 S4 -","2","1","","James E. Heckler; Nihal Deligonul; Arnold L. Rheingold; Thomas G. Gray","Gold(I) triazolyls: organometallic synthesis in air and aqueous media","Chem.Commun.","2013","49","","5990","","10.1039/c3cc43016b","","","0.71073","MoKα","","0.1206","0.0622","","","0.1336","0.1562","","","","","","1.07","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109413","18.156","0.002","14.8551","0.0016","20.079","0.002","90","","116.059","0.001","90","","4865","0.9","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H63 Au N5 O3 -","- C53 H63 Au N5 O3 -","- C212 H252 Au4 N20 O12 -","4","1","","James E. Heckler; Nihal Deligonul; Arnold L. Rheingold; Thomas G. Gray","Gold(I) triazolyls: organometallic synthesis in air and aqueous media","Chem.Commun.","2013","49","","5990","","10.1039/c3cc43016b","","","0.71073","MoKα","","0.0543","0.0315","","","0.0716","0.0844","","","","","","1.082","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109414","13.26","0.0002","22.6118","0.0004","23.399","0.0004","90","","90.582","0.001","90","","7015.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C78 H106 N2 O2 Si2 -","- C78 H106 N2 O2 Si2 -","- C312 H424 N8 O8 Si8 -","4","1","","Rajendra S. Ghadwal; Ramachandran Azhakar; Kevin Propper; Birger Dittrich; Michael John","Selective functionalization of a bis-silylene","Chem.Commun.","2013","49","","5987","","10.1039/c3cc43199a","","","1.54178","CuKα","","0.0464","0.0391","","","0","0.0419","","","","","","5.4153","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109415","13.0998","0.0002","16.8761","0.0003","17.1623","0.0002","83.1293","0.001","82.5499","0.001","77.0899","0.001","3650.83","0.1","100","","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C159 H236.4 N4 O4.4 Si4 -","- C159 H236.4 N4 O4.4 Si4 -","- C159 H236.4 N4 O4.4 Si4 -","1","0.5","","Rajendra S. Ghadwal; Ramachandran Azhakar; Kevin Propper; Birger Dittrich; Michael John","Selective functionalization of a bis-silylene","Chem.Commun.","2013","49","","5987","","10.1039/c3cc43199a","","","1.54178","CuKα","","0.0787","0.0528","","","0","0.0544","","","","","","4.4562","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109416","33.746","0.005","16.816","0.004","14.195","0.003","90","","90","","90","","8055","3","163","2","163","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C51 H47 O -","- C51 H45 O1.001 -","- C408 H360 O8.008 -","8","1","","Bradley L. Merner; Kiran Sagar Unikela; Louise N. Dawe; David W. Thompson; Graham J. Bodwell","1,1,n,n-tetramethyl[n](2,11)teropyrenophanes (n = 7-9): a series of armchair SWCNT segments","Chem.Commun.","2013","49","","5930","","10.1039/c3cc43268h","","","0.71075","MoKα","","0.1373","0.0765","","","0.1889","0.2169","","","","","","0.958","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109417","12.3981","0.0006","13.3478","0.0009","14.7429","0.0014","90","","100.777","0.006","90","","2396.7","0.3","122","2","122","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cl4 Gd6 H24 O35 -","- Cl4 Gd6 H16 O31.25 -","- Cl16 Gd24 H64 O125 -","4","0.5","","Yin-Ling Hou; Gang Xiong; Peng-Fei Shi; Rui-Rui Cheng; Jian-Zhong Cui; Bin Zhao","Unique (3,12)-connected coordination polymers displaying high stability, large magnetocaloric effect and slow magnetic relaxation","Chem.Commun.","2013","49","","6066","","10.1039/c3cc42545b","","","0.71073","MoKα","","0.039","0.0367","","","0.0967","0.1","","","","","","1.065","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109418","12.2429","0.0006","13.2583","0.0005","14.6293","0.0007","90","","100.697","0.005","90","","2333.36","0.19","122","2","122","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cl4 Dy6 H24 O35 -","- Cl4 Dy6 H20 O31 -","- Cl16 Dy24 H80 O124 -","4","0.5","","Yin-Ling Hou; Gang Xiong; Peng-Fei Shi; Rui-Rui Cheng; Jian-Zhong Cui; Bin Zhao","Unique (3,12)-connected coordination polymers displaying high stability, large magnetocaloric effect and slow magnetic relaxation","Chem.Commun.","2013","49","","6066","","10.1039/c3cc42545b","","","0.71073","MoKα","","0.063","0.0418","","","0.0944","0.1173","","","","","","1.062","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109419","8.8678","0.0009","9.3161","0.0009","24.972","0.003","90","","90","","90","","2063","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N2 O2 S -","- C24 H20 N2 O2 S -","- C96 H80 N8 O8 S4 -","4","1","","Lu Yao; Kang Liu; Hai-Yan Tao; Guo-Fu Qiu; Xiang Zhou; Chun-Jiang Wang","Organocatalytic asymmetric desymmetrization: efficient construction of spirocyclic oxindoles bearing a unique all-carbon quaternary stereogenic center via sulfa-Michael addition","Chem.Commun.","2013","49","","6078","","10.1039/c3cc42587h","","","0.71073","MoKα","","0.0487","0.0363","","","0.0782","0.0851","","","","","","1.016","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109420","5.4269","0.0011","8.9384","0.0018","14.968","0.003","74.64","0.03","81.57","0.03","77","0.03","679.3","0.3","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H34 O2 -","- C36 H34 O2 -","- C36 H34 O2 -","1","0.5","","Wei Liu; Yalong Wang; Mingxiao Sun; Deteng Zhang; Meng Zheng; Wenjun Yang","Alkoxy-position effects on piezofluorochromism and aggregation-induced emission of 9,10-bis(alkoxystyryl)anthracenes","Chem.Commun.","2013","49","","6042","","10.1039/c3cc42636j","","","0.71073","MoKα","","0.0665","0.0445","","","0.135","0.1594","","","","","","1.005","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109421","5.105","0.012","8.65","0.02","15.66","0.04","85.57","0.03","82.78","0.03","85.67","0.03","682","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N0 O2 -","- C36 H34 O2 -","- C36 H34 O2 -","1","0.5","","Wei Liu; Yalong Wang; Mingxiao Sun; Deteng Zhang; Meng Zheng; Wenjun Yang","Alkoxy-position effects on piezofluorochromism and aggregation-induced emission of 9,10-bis(alkoxystyryl)anthracenes","Chem.Commun.","2013","49","","6042","","10.1039/c3cc42636j","","","0.71073","MoKα","","0.1254","0.0563","","","0.115","0.1453","","","","","","1.007","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109422","5.4312","0.0011","8.8724","0.0018","15.066","0.003","102.61","0.03","98.34","0.03","101.81","0.03","679.7","0.3","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H34 O2 -","- C36 H34 O2 -","- C36 H34 O2 -","1","0.5","","Wei Liu; Yalong Wang; Mingxiao Sun; Deteng Zhang; Meng Zheng; Wenjun Yang","Alkoxy-position effects on piezofluorochromism and aggregation-induced emission of 9,10-bis(alkoxystyryl)anthracenes","Chem.Commun.","2013","49","","6042","","10.1039/c3cc42636j","","","0.71073","MoKα","","0.0882","0.0507","","","0.1556","0.1939","","","","","","0.938","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109423","21.069","0.009","7.368","0.003","17.19","0.007","90","","113.657","0.012","90","","2444.3","1.8","300","2","300","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O6 -","- C26 H26 N2 O6 -","- C104 H104 N8 O24 -","4","0.5","","Eric Daniel Glowacki; Gundula Voss; Kadir Demirak; Marek Havlicek; Nevsal Sunger; Aysu Ceren Okur; Uwe Monkowius; Jacek Gasiorowski; Lucia Leonat; Niyazi Serdar Sariciftci","A facile protection-deprotection route for obtaining indigo pigments as thin films and their applications in organic bulk heterojunctions","Chem.Commun.","2013","49","","6063","","10.1039/c3cc42889c","","","0.71073","MoKα","","0.0595","0.0417","","","0.1031","0.1136","","","","","","1.034","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109424","18.248","0.007","10.379","0.005","14.366","0.006","90","","111.215","0.011","90","","2536.5","1.9","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H24 Br2 N2 O6 -","- C26 H24 Br2 N2 O6 -","- C104 H96 Br8 N8 O24 -","4","1","","Eric Daniel Glowacki; Gundula Voss; Kadir Demirak; Marek Havlicek; Nevsal Sunger; Aysu Ceren Okur; Uwe Monkowius; Jacek Gasiorowski; Lucia Leonat; Niyazi Serdar Sariciftci","A facile protection-deprotection route for obtaining indigo pigments as thin films and their applications in organic bulk heterojunctions","Chem.Commun.","2013","49","","6063","","10.1039/c3cc42889c","","","0.71073","MoKα","","0.0975","0.0584","","","0.1272","0.1412","","","","","","1.07","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109425","21.713","0.0015","10.0823","0.0007","21.2984","0.0014","90","","105.315","0.007","90","","4497","0.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H60 N5 Nd O2 Si4 -","- C42 H60 N5 Nd O2 Si4 -","- C168 H240 N20 Nd4 O8 Si16 -","4","1","","Stacey D. Bennett; Simon J. A. Pope; Benjamin D. Ward","Near-IR luminescent neodymium complexes: spectroscopic probes for hydroamination catalysis","Chem.Commun.","2013","49","","6072","","10.1039/c3cc42923g","","","0.71073","MoKα","","0.0344","0.0313","","","0.071","0.0766","","","","","","1.111","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109426","15.8408","0.0004","16.5349","0.0003","9.94883","0.00014","90","","90","","90","","2605.86","0.09","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H16 In N O8 -","- C18 H16 In N O8 -","- C72 H64 In4 N4 O32 -","4","1","","Tamas Panda; Tanay Kundu; Rahul Banerjee","Structural isomerism leading to variable proton conductivity in indium(III) isophthalic acid based frameworks","Chem.Commun.","2013","49","","6197","","10.1039/c3cc41939h","","","0.71073","MoKα","","0.082","0.0725","","","0.2213","0.2361","","","","","","1.132","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109427","11.9876","0.0003","13.0329","0.0004","18.3012","0.0006","90","","125.26","0.002","90","","2334.7","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 In N2 O9 -","- C21 H23 In N2 O9 -","- C84 H92 In4 N8 O36 -","4","1","","Tamas Panda; Tanay Kundu; Rahul Banerjee","Structural isomerism leading to variable proton conductivity in indium(III) isophthalic acid based frameworks","Chem.Commun.","2013","49","","6197","","10.1039/c3cc41939h","","","1.54184","CuKα","","0.071","0.0684","","","0.1826","0.1854","","","","","","0.993","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109428","13.4948","0.0002","14.0951","0.0002","7.53","0.0001","90","","96.909","0.002","90","","1421.88","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","1","","Marco Blangetti; Helge Muller-Bunz; Donal F. O'Shea","First asymmetric synthesis of planar chiral [2.2]metacyclophanes","Chem.Commun.","2013","49","","6125","","10.1039/c3cc42275e","","","1.54184","CuKα","","0.0454","0.0353","","","0.0955","0.0999","","","","","","1.002","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109429","8.15436","0.00007","8.76221","0.00007","12.131","0.0001","90","","107.081","0.001","90","","828.53","0.013","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O3 -","- C20 H22 O3 -","- C40 H44 O6 -","2","1","","Marco Blangetti; Helge Muller-Bunz; Donal F. O'Shea","First asymmetric synthesis of planar chiral [2.2]metacyclophanes","Chem.Commun.","2013","49","","6125","","10.1039/c3cc42275e","","","1.54184","CuKα","","0.0273","0.0269","","","0.0728","0.0732","","","","","","1.067","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109430","9.7909","0.0007","17.1119","0.0012","19.028","0.0014","109.142","0.002","94.876","0.002","101.713","0.002","2909.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H12 Cl3 P4 Pt2 -","- C55 H12 Cl3 P4 Pt2 -","- C110 H24 Cl6 P8 Pt4 -","2","1","","Zhong-Yu Li; Lin Xu; Cui-Hong Wang; Xiao-Li Zhao; Hai-Bo Yang","Novel platinum-acetylide metallocycles constructed via a stepwise fragment coupling approach and their aggregation behaviour","Chem.Commun.","2013","49","","6194","","10.1039/c3cc42403k","","","0.71073","MoKα","","0.1118","0.0822","","","0.2414","0.2626","","","","","","1.113","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109431","39.744","0.005","17.785","0.005","19.153","0.005","90","0.005","104.131","0.005","90","0.005","13129","5","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C137.25 H94 B2 Cl1.25 F48 Ir2 N4 P2 -","- C137.258 H94 B2 Cl1.258 F48 Ir2 N4 P2 -","- C549.032 H376 B8 Cl5.032 F192 Ir8 N16 P8 -","4","0.5","","Jia-Qi Li; Pher G. Andersson","Room temperature and solvent-free iridium-catalyzed selective alkylation of anilines with alcohols","Chem.Commun.","2013","49","","6131","","10.1039/c3cc42669f","","","0.71073","MoKα","","0.0443","0.0352","","","0.0847","0.095","","","","","","1.072","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109432","39.7423","0.0012","17.7913","0.0005","19.1299","0.0005","90","","104.049","0.001","90","","13121.5","0.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68.5 H47 B Cl0.5 F24 N2 P Rh -","- C68.5 H47 B Cl0.783 F24 N2 P Rh -","- C548 H376 B8 Cl6.264 F192 N16 P8 Rh8 -","8","1","","Jia-Qi Li; Pher G. Andersson","Room temperature and solvent-free iridium-catalyzed selective alkylation of anilines with alcohols","Chem.Commun.","2013","49","","6131","","10.1039/c3cc42669f","","","0.71073","MoKα","","0.048","0.0393","","","0.1101","0.1241","","","","","","0.972","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109433","17.6379","0.0005","9.6123","0.0005","9.8809","0.0009","90","","90","","90","","1675.22","0.18","100","2","100","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Cu2 I2 N4 -","- C11 H16 Cu2 I2 N4 -","- C44 H64 Cu8 I8 N16 -","4","1","","Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun","Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift","Chem.Commun.","2013","49","","6152","","10.1039/c3cc42741b","","","0.71073","MoKα","","0.0177","0.0177","","","0.0441","0.0441","","","","","","1.181","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109434","17.685","0.001","9.6255","0.0005","9.8942","0.0006","90","","90","","90","","1684.26","0.16","160","2","160","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Cu2 I2 N4 -","- C11 H16 Cu2 I2 N4 -","- C44 H64 Cu8 I8 N16 -","4","1","","Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun","Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift","Chem.Commun.","2013","49","","6152","","10.1039/c3cc42741b","","","0.71073","MoKα","","0.0188","0.0186","","","0.0473","0.0473","","","","","","1.137","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109435","17.7336","0.0011","9.647","0.0006","9.9065","0.0006","90","","90","","90","","1694.76","0.18","220","2","220","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Cu2 I2 N4 -","- C11 H16 Cu2 I2 N4 -","- C44 H64 Cu8 I8 N16 -","4","1","","Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun","Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift","Chem.Commun.","2013","49","","6152","","10.1039/c3cc42741b","","","0.71073","MoKα","","0.0199","0.0196","","","0.0513","0.0515","","","","","","1.124","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109436","17.9821","0.0013","9.7493","0.0007","10.0256","0.0007","90","","90","","90","","1757.6","0.2","298","2","298","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C11 H16 Cu2 I2 N4 -","- C11 H16 Cu2 I2 N4 -","- C44 H64 Cu8 I8 N16 -","4","1","","Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun","Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift","Chem.Commun.","2013","49","","6152","","10.1039/c3cc42741b","","","0.71073","MoKα","","0.0219","0.0215","","","0.0574","0.0577","","","","","","1.106","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109437","25.146","0.003","11.2465","0.0014","16.08","0.002","90","","101.206","0.002","90","","4460.8","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 Cu3 I3 N6 -","- C15 H21 Cu3 I3 N6 -","- C120 H168 Cu24 I24 N48 -","8","1","","Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun","Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift","Chem.Commun.","2013","49","","6152","","10.1039/c3cc42741b","","","0.71073","MoKα","","0.0636","0.0414","","","0.0925","0.1017","","","","","","1.009","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109438","25.258","0.007","11.286","0.003","16.119","0.004","90","","101.063","0.004","90","","4510","2","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 Cu3 I3 N6 -","- C15 H21 Cu3 I3 N6 -","- C120 H168 Cu24 I24 N48 -","8","1","","Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun","Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift","Chem.Commun.","2013","49","","6152","","10.1039/c3cc42741b","","","0.71073","MoKα","","0.0709","0.0425","","","0.0983","0.1227","","","","","","1.015","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109439","25.367","0.011","11.29","0.005","16.143","0.007","90","","100.92","0.007","90","","4540","3","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 Cu3 I3 N6 -","- C15 H21 Cu3 I3 N6 -","- C120 H168 Cu24 I24 N48 -","8","1","","Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun","Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift","Chem.Commun.","2013","49","","6152","","10.1039/c3cc42741b","","","0.71073","MoKα","","0.0911","0.0504","","","0.1249","0.1681","","","","","","1.067","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109440","25.64","0.007","11.421","0.003","16.219","0.005","90","","100.823","0.005","90","","4665","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 Cu3 I3 N6 -","- C15 H21 Cu3 I3 N6 -","- C120 H168 Cu24 I24 N48 -","8","1","","Di Sun; Shuai Yuan; Hua Wang; Hai-Feng Lu; Sheng-Yu Feng; Dao-Feng Sun","Luminescence thermochromism of two entangled copper-iodide networks with a large temperature-dependent emission shift","Chem.Commun.","2013","49","","6152","","10.1039/c3cc42741b","","","0.71073","MoKα","","0.0841","0.0506","","","0.1424","0.1688","","","","","","1.019","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109441","8.4955","0.0015","11.1198","0.0019","19.241","0.003","76.717","0.004","87.166","0.005","83.238","0.005","1756.3","0.5","113.1","","113.1","","","","","","","","","3","P -1","-P 1","2","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","2","","Takashi Otani; Takao Saito; Ryota Sakamoto; Hiroyuki Osada; Akihito Hirahara; Naoki Furukawa; Noriki Kutsumura; Tsukasa Matsuo; Kohei Tamao","Intramolecular [2+2+2] cycloaddition of bis(propargylphenyl)carbodiimides: synthesis of L-shaped pi-extended compounds with pyrrolo[1,2-a][1,8]naphthyridine corner units","Chem.Commun.","2013","49","","6206","","10.1039/c3cc42792g","","","0.71075","MoKα","","","0.0699","","","","0.1899","","","","","","1.093","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109442","14.724","0.004","14.984","0.004","26.752","0.007","90","","98.041","0.002","90","","5844","3","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C53 H48 Cl6 Cu2 F6 N4 O6 P2 S2 -","- C53 H48 Cl6 Cu2 F6 N4 O6 P2 S2 -","- C212 H192 Cl24 Cu8 F24 N16 O24 P8 S8 -","4","1","","Mehdi El Sayed Moussa; Fabian Friess; Wenting Shen; Muriel Hissler; Regis Reau; Christophe Lescop","Syntheses of CuI polymetallic assemblies from reaction of ligands bearing the 2,5-bis(2-pyridyl)phosphole fragment with CuII precursors","Chem.Commun.","2013","49","","6158","","10.1039/c3cc42955e","","","0.71069","MoKα","","0.167","0.0791","","","0.1883","0.2366","","","","","","1.018","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109443","16.956","0.002","18.436","0.003","19.618","0.002","109.285","0.002","102.617","0.003","113.337","0.002","4864.2","1.1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C144 H126 Cl0 Cu6 F0 N12 O0 P6 S6 -","- C144 H126 Cu6 N12 P6 S6 -","- C144 H126 Cu6 N12 P6 S6 -","1","0.5","","Mehdi El Sayed Moussa; Fabian Friess; Wenting Shen; Muriel Hissler; Regis Reau; Christophe Lescop","Syntheses of CuI polymetallic assemblies from reaction of ligands bearing the 2,5-bis(2-pyridyl)phosphole fragment with CuII precursors","Chem.Commun.","2013","49","","6158","","10.1039/c3cc42955e","","","0.71069","MoKα","","0.1301","0.0659","","","0.1668","0.1864","","","","","","0.809","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109444","14.961","0.001","18.271","0.002","19.021","0.002","118.348","0.002","104.38","0.003","101.818","0.002","4102.7","0.7","150","2","150","2","","","","","","","","9","P -1","-P 1","2","","","","- C148 H126 Cl0 Cu6 F12 N12 O12 P6 S10 -","- C148 H126 Cu6 F12 N12 O12 P6 S10 -","- C148 H126 Cu6 F12 N12 O12 P6 S10 -","1","0.5","","Mehdi El Sayed Moussa; Fabian Friess; Wenting Shen; Muriel Hissler; Regis Reau; Christophe Lescop","Syntheses of CuI polymetallic assemblies from reaction of ligands bearing the 2,5-bis(2-pyridyl)phosphole fragment with CuII precursors","Chem.Commun.","2013","49","","6158","","10.1039/c3cc42955e","","","0.71069","MoKα","","0.1023","0.0657","","","0.172","0.1908","","","","","","0.937","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109445","17.136","0.003","33.131","0.006","17.782","0.009","90","","107.947","0.009","90","","9604","5","150","2","150","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C144 H126 Cl0 Cu6 F0 N12 O0 P6 S0 Se6 -","- C144 H126 Cu6 N12 P6 Se6 -","- C288 H252 Cu12 N24 P12 Se12 -","2","0.5","","Mehdi El Sayed Moussa; Fabian Friess; Wenting Shen; Muriel Hissler; Regis Reau; Christophe Lescop","Syntheses of CuI polymetallic assemblies from reaction of ligands bearing the 2,5-bis(2-pyridyl)phosphole fragment with CuII precursors","Chem.Commun.","2013","49","","6158","","10.1039/c3cc42955e","","","0.71069","MoKα","","0.188","0.0768","","","0.1595","0.1834","","","","","","0.782","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109446","16.945","0.001","18.478","0.001","20.154","0.001","107.916","0.002","104.98","0.002","112.985","0.002","4984.7","0.5","150","2","150","2","","","","","","","","10","P -1","-P 1","2","","","","- C154 H126 Cl0 Cu8 F30 N12 O40 P6 S10 Se6 -","- C154 H126 Cu8 F30 N12 O40 P6 S10 Se6 -","- C154 H126 Cu8 F30 N12 O40 P6 S10 Se6 -","1","0.5","","Mehdi El Sayed Moussa; Fabian Friess; Wenting Shen; Muriel Hissler; Regis Reau; Christophe Lescop","Syntheses of CuI polymetallic assemblies from reaction of ligands bearing the 2,5-bis(2-pyridyl)phosphole fragment with CuII precursors","Chem.Commun.","2013","49","","6158","","10.1039/c3cc42955e","","","0.71069","MoKα","","0.1005","0.0591","","","0.1535","0.171","","","","","","1.004","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109447","15.993","0.002","26.367","0.003","32.189","0.003","90","","90","","90","","13574","3","150","2","150","2","","","","","","","","9","P n a a","-P 2ac 2bc","56","","","","- C55 H47 Cl8 Cu F9 N4 O9 P2 S5 -","- C55 H47 Cl8 Cu F9 N4 O9 P2 S5 -","- C440 H376 Cl64 Cu8 F72 N32 O72 P16 S40 -","8","1","","Mehdi El Sayed Moussa; Fabian Friess; Wenting Shen; Muriel Hissler; Regis Reau; Christophe Lescop","Syntheses of CuI polymetallic assemblies from reaction of ligands bearing the 2,5-bis(2-pyridyl)phosphole fragment with CuII precursors","Chem.Commun.","2013","49","","6158","","10.1039/c3cc42955e","","","0.71069","MoKα","","0.177","0.1098","","","0.2273","0.2576","","","","","","1.111","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109448","11.152","0.002","31.613","0.006","7.0253","0.0014","90","","94.34","0.03","90","","2469.7","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C120 H152 N8 O8 -","4","1","","Shaoguang Zhang; Ming Zhan; Qian Luo; Wen-Xiong Zhang; Zhenfeng Xi","Oxidation of C-H bonds to C[double bond, length as m-dash]O bonds by O2 only or N-oxides and DMSO: synthesis of delta^1^-bipyrrolinones and pyrrolino[3,2-b]pyrrolinones from 2,6-diazasemibullvalenes","Chem.Commun.","2013","49","","6146","","10.1039/c3cc43061h","","","0.71073","MoKα","","0.1067","0.0935","","","0.1437","0.1492","","","","","","1.299","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109449","9.1255","0.0018","11.865","0.002","12.456","0.003","72.38","0.03","87.22","0.03","67.72","0.03","1186.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H28 N2 O4 -","- C27 H28 N2 O4 -","- C54 H56 N4 O8 -","2","1","","Shaoguang Zhang; Ming Zhan; Qian Luo; Wen-Xiong Zhang; Zhenfeng Xi","Oxidation of C-H bonds to C[double bond, length as m-dash]O bonds by O2 only or N-oxides and DMSO: synthesis of delta^1^-bipyrrolinones and pyrrolino[3,2-b]pyrrolinones from 2,6-diazasemibullvalenes","Chem.Commun.","2013","49","","6146","","10.1039/c3cc43061h","","","0.71073","MoKα","","0.1262","0.0588","","","0.1468","0.1685","","","","","","1.168","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109450","11.3419","0.0014","12.6176","0.0016","15.066","0.0019","71.396","0.002","80.156","0.002","86.887","0.002","2013.3","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H39 F12 N5 O P2 -","- C38 H39 F12 N5 O P2 -","- C76 H78 F24 N10 O2 P4 -","2","1","","Dawei Zhang; Xiaozhi Jiang; Haiqiang Yang; Zhao Su; Enqing Gao; Alexandre Martinez; Guohua Gao","Novel benzimidazolium-urea-based macrocyclic fluorescent sensors: synthesis, ratiometric sensing of H2PO4^-^ and improvement of the anion binding performance via a synergistic binding strategy","Chem.Commun.","2013","49","","6149","","10.1039/c3cc43184c","","","0.71073","MoKα","","0.1378","0.0808","","","0.2364","0.2946","","","","","","0.942","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109451","15.837","0.0017","5.4707","0.0006","7.9739","0.0008","90","","102.726","0.003","90","","673.88","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 O2 S2 -","- C16 H10 O2 S2 -","- C32 H20 O4 S4 -","2","0.5","","Ori Gidron; Neta Varsano; Linda J. W. Shimon; Gregory Leitus; Michael Bendikov","Study of a bifuran vs. bithiophene unit for the rational design of pi-conjugated systems. What have we learned?","Chem.Commun.","2013","49","","6256","","10.1039/c3cc41795f","","","0.71073","MoKα","","0.0438","0.0339","","","0.0893","0.0954","","","","","","1.073","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109452","7.4341","0.0007","7.5723","0.0006","23.45","0.002","90","","90","","90","","1320.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H10 O2 S2 -","- C16 H10 O2 S2 -","- C64 H40 O8 S8 -","4","0.5","","Ori Gidron; Neta Varsano; Linda J. W. Shimon; Gregory Leitus; Michael Bendikov","Study of a bifuran vs. bithiophene unit for the rational design of pi-conjugated systems. What have we learned?","Chem.Commun.","2013","49","","6256","","10.1039/c3cc41795f","","","0.71073","MoKα","","0.054","0.0397","","","0.0943","0.1019","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109453","12.2488","0.0005","12.3956","0.0004","12.8192","0.0009","70.108","0.005","87.581","0.006","68.745","0.005","1698.4","0.17","163","2","163","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H24 F3 Fe I2 N4 O6 S -","- C34 H24 F3 Fe I2 N4 O6 S -","- C68 H48 F6 Fe2 I4 N8 O12 S2 -","2","1","","David J. Harding; Wasinee Phonsri; Phimphaka Harding; Ian A. Gass; Keith S.Murray; Boujemaa Moubaraki; John D. Cashion; Lujia Liu; Shane G. Telfer","Abrupt spin crossover in an iron(III) quinolylsalicylaldimine complex: structural insights and solvent effects","Chem.Commun.","2013","49","","6340","","10.1039/c3cc42125b","","","1.54178","CuKα","","0.116","0.0969","","","0.2574","0.3105","","","","","","1.221","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109454","11.7726","0.0004","12.6918","0.0004","13.3179","0.0009","69.437","0.005","85.02","0.006","67.526","0.005","1719.03","0.17","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H24 F3 Fe I2 N4 O6 S -","- C34 H24 F3 Fe I2 N4 O6 S -","- C68 H48 F6 Fe2 I4 N8 O12 S2 -","2","1","","David J. Harding; Wasinee Phonsri; Phimphaka Harding; Ian A. Gass; Keith S. Murray; Boujemaa Moubaraki; John D. Cashion; Lujia Liu; Shane G. Telfer","Abrupt spin crossover in an iron(III) quinolylsalicylaldimine complex: structural insights and solvent effects","Chem.Commun.","2013","49","","6340","","10.1039/c3cc42125b","","","1.54178","CuKα","","0.1093","0.0725","","","0.1825","0.2375","","","","","","1.157","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109455","12.2189","0.0005","12.4526","0.0007","12.8877","0.0009","70.115","0.005","87.282","0.006","68.604","0.005","1710.35","0.19","230","2","230","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H24 F3 Fe I2 N4 O6 S -","- C34 H24 F3 Fe I2 N4 O6 S -","- C68 H48 F6 Fe2 I4 N8 O12 S2 -","2","1","","David J. Harding; Wasinee Phonsri; Phimphaka Harding; Ian A. Gass; Keith S. Murray; Boujemaa Moubaraki; John D. Cashion; Lujia Liu; Shane G. Telfer","Abrupt spin crossover in an iron(III) quinolylsalicylaldimine complex: structural insights and solvent effects","Chem.Commun.","2013","49","","6340","","10.1039/c3cc42125b","","","1.54178","CuKα","","0.0834","0.0681","","","0.1705","0.206","","","","","","1.168","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109456","9.4579","0.0009","14.041","0.002","18.191","0.003","103.997","0.014","100.11","0.011","98.796","0.011","2258.8","0.6","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H54 O4 S2 -","- C57 H54 O4 S2 -","- C114 H108 O8 S4 -","2","1","","Kevin N. Winzenberg; Peter Kemppinen; Fiona H. Scholes; Gavin E. Collis; Ying Shu; Th. Birendra Singh; Ante Bilic; Craig M. Forsyth; Scott E. Watkins","Indan-1,3-dione electron-acceptor small molecules for solution-processable solar cells: a structure-property correlation","Chem.Commun.","2013","49","","6307","","10.1039/c3cc42293c","","","1.54184","CuKα","","0.0847","0.065","","","0.174","0.1915","","","","","","1.053","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109457","12.0144","0.0009","12.27","0.0008","16.413","0.0014","85.003","0.006","75.213","0.007","74.553","0.006","2254.4","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H54 O4 S2 -","- C57 H54 O4 S2 -","- C114 H108 O8 S4 -","2","1","","Kevin N. Winzenberg; Peter Kemppinen; Fiona H. Scholes; Gavin E. Collis; Ying Shu; Th. Birendra Singh; Ante Bilic; Craig M. Forsyth; Scott E. Watkins","Indan-1,3-dione electron-acceptor small molecules for solution-processable solar cells: a structure-property correlation","Chem.Commun.","2013","49","","6307","","10.1039/c3cc42293c","","","0.71073","MoKα","","0.0982","0.0568","","","0.1265","0.1518","","","","","","1.028","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109458","16.923","0.0006","12.8262","0.0004","13.4858","0.0004","90","","90","","90","","2927.2","0.16","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H40 N Na O6 Th -","- C29 H40 N Na O6 Th -","- C116 H160 N4 Na4 O24 Th4 -","4","1","","Alexandre Herve; Nicolas Garin; Pierre Thuery; Michel Ephritikhine; Jean-Claude Berthet","Bent thorocene complexes with the cyanide, azide and hydride ligands","Chem.Commun.","2013","49","","6304","","10.1039/c3cc42763c","","","0.71073","MoKα","","0.0372","0.0266","","","0.061","0.0636","","","","","","1.055","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109459","12.7844","0.0004","19.3693","0.0006","13.0254","0.0004","90","","115.214","0.002","90","","2918.11","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H40 N3 Na O6 Th -","- C28 H40 N3 Na O6 Th -","- C112 H160 N12 Na4 O24 Th4 -","4","1","","Alexandre Herve; Nicolas Garin; Pierre Thuery; Michel Ephritikhine; Jean-Claude Berthet","Bent thorocene complexes with the cyanide, azide and hydride ligands","Chem.Commun.","2013","49","","6304","","10.1039/c3cc42763c","","","0.71073","MoKα","","0.0474","0.0345","","","0.0867","0.0908","","","","","","1.089","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109460","15.2646","0.0003","15.2646","0.0003","22.1864","0.0008","90","","90","","90","","5169.6","0.2","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C52 H73 Na O8 Th2 -","- C52 H73 Na O8 Th2 -","- C208 H292 Na4 O32 Th8 -","4","0.5","","Alexandre Herve; Nicolas Garin; Pierre Thuery; Michel Ephritikhine; Jean-Claude Berthet","Bent thorocene complexes with the cyanide, azide and hydride ligands","Chem.Commun.","2013","49","","6304","","10.1039/c3cc42763c","","","0.71073","MoKα","","0.0499","0.0314","","","0.0583","0.0613","","","","","","1.003","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109461","37.0796","0.0018","9.8234","0.0003","25.6897","0.0013","90","","118.992","0.002","90","","8184.8","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H57 K O6 Th2 -","- C44 H57 K O6 Th2 -","- C352 H456 K8 O48 Th16 -","8","1","","Alexandre Herve; Nicolas Garin; Pierre Thuery; Michel Ephritikhine; Jean-Claude Berthet","Bent thorocene complexes with the cyanide, azide and hydride ligands","Chem.Commun.","2013","49","","6304","","10.1039/c3cc42763c","","","0.71073","MoKα","","0.0806","0.0359","","","0.047","0.0527","","","","","","0.889","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109462","11.776","0.002","13.134","0.002","25.916","0.004","90.704","0.005","91.621","0.005","100.084","0.005","3944.2","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H82 Ag3 B3 F12 N2 O2 P4 -","- C84 H82 Ag3 B3 F12 N2 O2 P4 -","- C168 H164 Ag6 B6 F24 N4 O4 P8 -","2","1","","Goutam Kumar Kole; Raghavender Medishetty; Lip Lin Koh; Jagadese J. Vittal","Influence of C-H^...^pi interactions on the solid-state [2+2] cycloaddition reaction of a Ag(I) coordination complex in an inorganic co-crystal","Chem.Commun.","2013","49","","6298","","10.1039/c3cc42793e","","","0.71073","MoKα","","0.1113","0.0963","","","0.2254","0.2324","","","","","","1.197","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109463","11.9171","0.0009","13.1457","0.001","25.686","0.002","90.637","0.002","89.989","0.002","99.454","0.002","3969","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H82 Ag3 B3 F12 N2 O2 P4 -","- C84 H82 Ag3 B3 F12 N2 O2 P4 -","- C168 H164 Ag6 B6 F24 N4 O4 P8 -","2","1","","Goutam Kumar Kole; Raghavender Medishetty; Lip Lin Koh; Jagadese J. Vittal","Influence of C-H^...^pi interactions on the solid-state [2+2] cycloaddition reaction of a Ag(I) coordination complex in an inorganic co-crystal","Chem.Commun.","2013","49","","6298","","10.1039/c3cc42793e","","","0.71073","MoKα","","0.1775","0.0979","","","0.236","0.2778","","","","","","1.045","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109464","12.55","0.002","13.733","0.002","14.479","0.003","90","","90.245","0.005","90","","2495.4","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H46 Ag2 F6 N2 O4 P2 -","- C56 H46 Ag2 F6 N2 O4 P2 -","- C112 H92 Ag4 F12 N4 O8 P4 -","2","0.5","","Goutam Kumar Kole; Raghavender Medishetty; Lip Lin Koh; Jagadese J. Vittal","Influence of C-H^...^pi interactions on the solid-state [2+2] cycloaddition reaction of a Ag(I) coordination complex in an inorganic co-crystal","Chem.Commun.","2013","49","","6298","","10.1039/c3cc42793e","","","0.71073","MoKα","","0.0345","0.0326","","","0.0836","0.0848","","","","","","1.062","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109465","21.4191","0.0008","10.8147","0.0004","15.1758","0.0006","90","","108.398","0.001","90","","3335.7","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl2 Fe N15 O8 -","- C28 H25 Cl2 Fe N15 O8 -","- C112 H100 Cl8 Fe4 N60 O32 -","4","1","","Michael C. Young; Erica Liew; Jonathan Ashby; Kelsi E. McCoy; Richard J. Hooley","Spin state modulation of iron spin crossover complexes via hydrogen-bonding self-assembly","Chem.Commun.","2013","49","","6331","","10.1039/c3cc42851f","","","0.71073","MoKα","","0.0464","0.0358","","","0.0867","0.0926","","","","","","1.031","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109466","12.2168","0.0004","14.4704","0.0005","23.0473","0.0009","74.053","0.003","77.801","0.003","86.239","0.003","3829","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33.96 Cl2 O8 S8 -","- C33.005 H33.96 Cl2 O8 S8 -","- C132.02 H135.84 Cl8 O32 S32 -","4","2","","Mahendra P. Sonawane; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen","Synthesis and structural exploration of disulfide bridged [2n] pillararene-like molecules","Chem.Commun.","2013","49","","6310","","10.1039/c3cc42984a","","","0.7107","MoKα","","0.044","0.0337","","","0.0773","0.0843","","","","","","1.061","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109467","19.805","0.001","16.8099","0.0006","11.1767","0.0005","90","","102.785","0.005","90","","3628.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H43 N O8 S4 -","- C38 H43 N O8 S4 -","- C152 H172 N4 O32 S16 -","4","0.5","","Mahendra P. Sonawane; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen","Synthesis and structural exploration of disulfide bridged [2n] pillararene-like molecules","Chem.Commun.","2013","49","","6310","","10.1039/c3cc42984a","","","0.7107","MoKα","","0.0488","0.042","","","0.1164","0.1199","","","","","","1.075","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109468","10.1424","0.0012","10.9573","0.0013","19.058","0.002","90","","90","","90","","2118","0.4","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl F3 N2 O3 -","- C20 H20 Cl F3 N2 O3 -","- C80 H80 Cl4 F12 N8 O12 -","4","1","","Qing-Hua Li; Liang Wei; Xuan Chen; Chun-Jiang Wang","Asymmetric construction of fluorinated imidazolidines via Cu(I)-catalyzed exo'-selective 1,3-dipolar cycloaddition of azomethine ylides with fluorinated imines","Chem.Commun.","2013","49","","6277","","10.1039/c3cc43025a","","","0.71073","MoKα","","0.0349","0.033","","","0.0865","0.0885","","","","","","1.028","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109469","12.6924","0.0009","21.4857","0.0015","14.4763","0.0009","90","","108.105","0.004","90","","3752.3","0.4","100","2","100","2","","","","","","","synthesis as described","2","C 1 2/c 1","-C 2yc","15","","","","- C58 H36 -","- C58 H36 -","- C232 H144 -","4","0.5","","Diego Rodriguez-Lojo; Dolores Perez; Diego Pena; Enrique Guitian","One-pot synthesis of sterically congested large aromatic hydrocarbons via 1,4-diphenyl-2,3-triphenylyne","Chem.Commun.","2013","49","","6274","","10.1039/c3cc43103g","","x-ray","0.7107","MoKα","","0.0904","0.0446","","","0.092","0.1118","","","","","","0.998","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109470","16.4992","0.0004","17.0089","0.0003","27.7954","0.0006","94.751","0.001","92.785","0.001","118.86","0.005","6772.9","0.4","100","2","100","2","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C90 H54 -","- C90 H54 -","- C360 H216 -","4","2","","Diego Rodriguez-Lojo; Dolores Perez; Diego Pena; Enrique Guitian","One-pot synthesis of sterically congested large aromatic hydrocarbons via 1,4-diphenyl-2,3-triphenylyne","Chem.Commun.","2013","49","","6274","","10.1039/c3cc43103g","","","1.5418","CuKα","","0.0664","0.0454","","","0.1126","0.1207","","","","","","0.97","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109471","20.0045","0.0002","14.64734","0.00018","21.3848","0.0003","90","","90","","90","","6266.02","0.13","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H7 F18 La N3 O7 S2 -","- C23 H7 F18 La N3 O7 S2 -","- C184 H56 F144 La8 N24 O56 S16 -","8","1","","Elisabeth M. Fatila; Rodolphe Clerac; Mathieu Rouzieres; Dmitriy V. Soldatov; Michael Jenningsd; Kathryn E. Preuss","Ferromagnetic superexchange in a 1D -[LaIII-radical]- coordination polymer","Chem.Commun.","2013","49","","6271","","10.1039/c3cc43267j","","","0.71073","MoKα","","0.0241","0.0205","","","0.051","0.0536","","","","","","1.043","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109472","9.7396","0.0003","9.7396","0.0003","18.008","0.0008","90","","90","","90","","1708.24","0.11","150","2","150","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) diperchlorate","","- C26 H26 Cl2 Fe N10 O8 -","- C26 H26 Cl2 Fe N10 O8 -","- C52 H52 Cl4 Fe2 N20 O16 -","2","0.25","","Thomas D. Roberts; Marc A. Little; Floriana Tuna; Colin A. Kilner; Malcolm A. Halcrow","Isostructural Salts of the Same Complex Showing Contrasting Thermal Spin-Crossover Mediated by Multiple Phase Changes","Chem.Commun.","2013","49","","6280","","10.1039/c3cc43613f","","","0.71073","MoKα","","0.1112","0.0939","","","0.3195","0.3483","","","","","","1.532","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109473","13.6553","0.0012","19.7246","0.0011","13.6951","0.0015","90","","91.326","0.005","90","","3687.7","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) diperchlorate dimethanol solvate","","- C28 H34 Cl2 Fe N10 O10 -","- C28 H34 Cl2 Fe N10 O10 -","- C112 H136 Cl8 Fe4 N40 O40 -","4","1","","Thomas D. Roberts; Marc A. Little; Floriana Tuna; Colin A. Kilner; Malcolm A. Halcrow","Isostructural Salts of the Same Complex Showing Contrasting Thermal Spin-Crossover Mediated by Multiple Phase Changes","Chem.Commun.","2013","49","","6280","","10.1039/c3cc43613f","","","0.71073","MoKα","","0.1157","0.0611","","","0.1365","0.1512","","","","","","0.912","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109474","13.1968","0.0007","20.4571","0.0012","20.6896","0.0012","86.131","0.002","75.642","0.002","81.923","0.002","5354.3","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) diperchlorate nitromethane (1/0.83) diethyl ether (0.33) solvate","","- C28.17 H31.83 Cl2 Fe N10.83 O10 -","- C28.1667 H31.8333 Cl2 Fe N10.8333 O10 -","- C169 H191 Cl12 Fe6 N65 O60 -","6","3","","Thomas D. Roberts; Marc A. Little; Floriana Tuna; Colin A. Kilner; Malcolm A. Halcrow","Isostructural Salts of the Same Complex Showing Contrasting Thermal Spin-Crossover Mediated by Multiple Phase Changes","Chem.Commun.","2013","49","","6280","","10.1039/c3cc43613f","","","0.71073","MoKα","","0.0948","0.0781","","","0.2227","0.2363","","","","","","1.063","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109475","8.9221","0.0011","21.208","0.002","9.106","0.001","90","","107.921","0.003","90","","1639.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C18 H37 La O23 P6 -","- C18 H37 La O23 P6 -","- C36 H74 La2 O46 P12 -","2","0.5","","Sergio M. F. Vilela; Ana D. G. Firmino; Ricardo F. Mendes; Jose A. Fernandes; Duarte Ananias; Anabela A. Valente; Holger Ott; Luis D. Carlos; Joao Rocha; Joao P. C. Tome; Filipe A. Almeida Paz","Lanthanide-polyphosphonate coordination polymers combining catalytic and photoluminescence properties","Chem.Commun.","2013","49","","6400","","10.1039/c3cc42632g","","","0.71073","MoKα","","0.0705","0.0425","","","0.0793","0.0861","","","","","","1.05","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109476","11.284","0.003","14.658","0.003","27.222","0.007","90","","90","","90","","4502.5","1.9","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O3 Si -","- C24 H27 N O3 Si -","- C192 H216 N8 O24 Si8 -","8","2","","Hongzhi Yang; Juan Feng; Yefeng Tang","Biomimetic total syntheses of spirobacillenes A and B","Chem.Commun.","2013","49","","6442","","10.1039/c3cc42686f","","","0.71073","MoKα","","0.0594","0.0575","","","0.1275","0.1284","","","","","","1.274","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109477","14.4293","0.0016","14.4293","0.0016","22.345","0.005","90","","90","","90","","4652.3","1.3","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C15 H14 N2 -","- C15 H14 N2 -","- C240 H224 N32 -","16","1","","Yunhe Lv; Yan Li; Tao Xiong; Weiya Pu; Hongwei Zhang; Kai Sun; Qun Liu; Qian Zhang","Copper-catalyzed annulation of amidines for quinazoline synthesis","Chem.Commun.","2013","49","","6439","","10.1039/c3cc43129k","","","0.71073","MoKα","","0.2632","0.2096","","","0.5257","0.5567","","","","","","1.104","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109478","9.525","0.003","15.83","0.005","11.853","0.004","90","","118.167","0.01","90","","1575.6","0.9","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 N4 Pt2 S2 -","- C28 H48 N4 Pt2 S2 -","- C56 H96 N8 Pt4 S4 -","2","0.5","","Seowoo Kim; Paul D. Boyle; Matthew S. McCready; Kyle R. Pellarin; Richard J. Puddephatt","Easy activation of the aryl-sulfur bond by platinum(II)","Chem.Commun.","2013","49","","6421","","10.1039/c3cc43303j","","","0.71073","MoKα","","0.0341","0.0234","","","0.0377","0.0399","","","","","","1.075","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109479","20.627","0.006","9.269","0.003","16.44","0.004","90","","111.186","0.009","90","","2930.7","1.5","110","","110","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H38 N2 Pt2 S2 -","- C32 H38 N2 Pt2 S2 -","- C128 H152 N8 Pt8 S8 -","4","1","","Seowoo Kim; Paul D. Boyle; Matthew S. McCready; Kyle R. Pellarin; Richard J. Puddephatt","Easy activation of the aryl-sulfur bond by platinum(II)","Chem.Commun.","2013","49","","6421","","10.1039/c3cc43303j","","","0.71073","MoKα","","0.0275","0.0239","","","0.0453","0.0464","","","","","","0.997","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109480","8.461","0.005","9.198","0.006","11.156","0.005","93.302","0.008","109.27","0.03","108.338","0.014","765.2","0.8","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 N2 Pt2 S2 -","- C32 H38 N2 Pt2 S2 -","- C32 H38 N2 Pt2 S2 -","1","0.5","","Seowoo Kim; Paul D. Boyle; Matthew S. McCready; Kyle R. Pellarin; Richard J. Puddephatt","Easy activation of the aryl-sulfur bond by platinum(II)","Chem.Commun.","2013","49","","6421","","10.1039/c3cc43303j","","","0.71073","MoKα","","0.0367","0.0275","","","0.0488","0.0507","","","","","","1.094","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109481","16.8356","0.0011","9.0753","0.0006","14.9922","0.001","90","","93.824","0.002","90","","2285.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 N8 O6 U -","- C52 H42 N8 O6 U -","- C104 H84 N16 O12 U2 -","2","0.5","","Aaron C. Sather; Orion B. Berryman; Curtis E. Moore; Julius Rebek","Uranyl ion coordination with rigid aromatic carboxylates and structural characterization of their complexes","Chem.Commun.","2013","49","","6379","","10.1039/c3cc43358g","","","1.54178","CuKα","","0.0241","0.0218","","","0.0613","0.0648","","","","","","1.087","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109482","19.6677","0.0009","18.8428","0.0009","22.6324","0.001","90","","109.593","0.002","90","","7901.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H87 Cl5 N O11 U -","- C88 H87 Cl5 N O11 U -","- C352 H348 Cl20 N4 O44 U4 -","4","1","","Aaron C. Sather; Orion B. Berryman; Curtis E. Moore; Julius Rebek","Uranyl ion coordination with rigid aromatic carboxylates and structural characterization of their complexes","Chem.Commun.","2013","49","","6379","","10.1039/c3cc43358g","","","0.71073","MoKα","","0.0915","0.0472","","","0.09","0.1028","","","","","","1.01","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109483","14.2622","0.0012","18.6958","0.0015","26.384","0.002","90","","93.484","0.003","90","","7022.1","1","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H89 N O12 U -","- C82 H89 N O12 U -","- C328 H356 N4 O48 U4 -","4","1","","Aaron C. Sather; Orion B. Berryman; Curtis E. Moore; Julius Rebek","Uranyl ion coordination with rigid aromatic carboxylates and structural characterization of their complexes","Chem.Commun.","2013","49","","6379","","10.1039/c3cc43358g","","x-ray","1.54178","CuKα","K-L~3~","0.0246","0.0228","","","0.0559","0.0568","","","","","","1.062","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109484","18.4575","0.0004","18.4575","0.0004","13.1542","0.0004","90","","90","","90","","4481.36","0.19","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C23 H29 N3 Ni O2.5 -","- C23 H29 N3 Ni O2.5 -","- C184 H232 N24 Ni8 O20 -","8","1","","Mickael Henrion; Anna Magdalena Oertel; Vincent Ritleng; Michael J. Chetcuti","Facile displacement of eta^5^-cyclopentadienyl ligands from half-sandwich alkyl, NHC-nickel complexes: an original route to robust cis-C,C-nickel square planar complexes","Chem.Commun.","2013","49","","6424","","10.1039/c3cc43691h","","","0.71073","MoKα","","0.0307","0.0259","","","0.0645","0.0677","","","","","","1.048","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7109485","20.223","0.0006","11.5332","0.0003","29.2642","0.0008","90","","98.996","0.003","90","","6741.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52.82 H52 F24 Fe2 N20.4 P4 -","- C52.82 H52 F24 Fe2 N20.4 P4 -","- C211.28 H208 F96 Fe8 N81.6 P16 -","4","1","","Yizhu Liu; Tobias Harlang; Sophie E. Canton; Pavel Chabera; Karina Suarez-Alcantara; Andre Fleckhaus; Dimali A. Vithanage; Erik Goransson; Alice Corani; Reiner Lomoth; Villy Sundstrom; Kenneth Warnmark","Towards longer-lived metal-to-ligand charge transfer states of iron(II) complexes: an N-heterocyclic carbene approach","Chem.Commun.","2013","49","","6412","","10.1039/c3cc43833c","","","0.71073","MoKα","","0.1034","0.068","","","0.1555","0.1727","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109486","12.8044","0.0005","20.5091","0.0005","20.5285","0.0006","112.364","0.003","95.655","0.003","90.69","0.003","4954","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H54 F12 Fe N10 O P2 -","- C42 H54 F12 Fe N10 O P2 -","- C168 H216 F48 Fe4 N40 O4 P8 -","4","2","","Yizhu Liu; Tobias Harlang; Sophie E. Canton; Pavel Chabera; Karina Suarez-Alcantara; Andre Fleckhaus; Dimali A. Vithanage; Erik Goransson; Alice Corani; Reiner Lomoth; Villy Sundstrom; Kenneth Warnmark","Towards longer-lived metal-to-ligand charge transfer states of iron(II) complexes: an N-heterocyclic carbene approach","Chem.Commun.","2013","49","","6412","","10.1039/c3cc43833c","","","0.71073","MoKα","","0.088","0.0668","","","0.1778","0.1956","","","","","","1.028","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109487","70.25","0.03","7.333","0.003","5.822","0.002","90","","90","","90","","2999","2","93","","93","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C36 H44 S3 -","- C36 H44 S3 -","- C144 H176 S12 -","4","0.5","","Yu Seok Yang; Takuma Yasuda; Hayato Kakizoe; Hiroyuki Mieno; Hiori Kino; Yoshitaka Tateyama; Chihaya Adachi","High performance organic field-effect transistors based on single-crystal microribbons and microsheets of solution-processed dithieno[3,2-b:2?,3?-d]thiophene derivatives","Chem.Commun.","2013","49","","6483","","10.1039/c3cc42114g","","","0.71075","MoKα","","","0.0418","","","","0.105","","","","","","1.086","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109488","88.9","0.08","7.391","0.007","5.846","0.005","90","","90","","90","","3841","6","123","","123","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C44 H60 S3 -","- C44 H60 S3 -","- C176 H240 S12 -","4","0.5","","Yu Seok Yang; Takuma Yasuda; Hayato Kakizoe; Hiroyuki Mieno; Hiori Kino; Yoshitaka Tateyama; Chihaya Adachi","High performance organic field-effect transistors based on single-crystal microribbons and microsheets of solution-processed dithieno[3,2-b:2?,3?-d]thiophene derivatives","Chem.Commun.","2013","49","","6483","","10.1039/c3cc42114g","","","0.71075","MoKα","","","0.0681","","","","0.1857","","","","","","1.089","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109489","9.0816","0.0002","18.2546","0.0006","22.2364","0.0006","90","","91.356","0.002","90","","3685.34","0.18","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 Cu N5 P2 -","- C42 H34 Cu N5 P2 -","- C168 H136 Cu4 N20 P8 -","4","1","","Larissa Bergmann; Jana Friedrichs; Mathias Mydlak; Thomas Baumann; Martin Nieger; Stefan Brase","Outstanding luminescence from neutral copper(I) complexes with pyridyl-tetrazolate and phosphine ligands","Chem.Commun.","2013","49","","6501","","10.1039/c3cc42280a","","","0.71073","MoKα","","0.1137","0.0765","","","0.1337","0.1489","","","","","","1.139","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109490","10.889","0.001","11.95","0.001","16.851","0.002","108.7","0.01","96.41","0.01","107.01","0.01","1934.3","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H35 B Cu F4 N5 P2 -","- C42 H35 B Cu F4 N5 P2 -","- C84 H70 B2 Cu2 F8 N10 P4 -","2","1","","Larissa Bergmann; Jana Friedrichs; Mathias Mydlak; Thomas Baumann; Martin Nieger; Stefan Brase","Outstanding luminescence from neutral copper(I) complexes with pyridyl-tetrazolate and phosphine ligands","Chem.Commun.","2013","49","","6501","","10.1039/c3cc42280a","","","0.71073","MoKα","","0.044","0.0306","","","0.067","0.0727","","","","","","1.032","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109491","9.0162","0.0004","17.8097","0.0012","22.3584","0.0019","90","","90.648","0.006","90","","3590","0.4","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H32 Cu N5 O P2 -","- C42 H32 Cu N5 O P2 -","- C168 H128 Cu4 N20 O4 P8 -","4","1","","Larissa Bergmann; Jana Friedrichs; Mathias Mydlak; Thomas Baumann; Martin Nieger; Stefan Brase","Outstanding luminescence from neutral copper(I) complexes with pyridyl-tetrazolate and phosphine ligands","Chem.Commun.","2013","49","","6501","","10.1039/c3cc42280a","","","0.71073","MoKα","","0.0494","0.0343","","","0.0721","0.0779","","","","","","1.051","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109492","12.294","0.001","13.17","0.001","14.471","0.001","71","0.01","85.67","0.01","69.54","0.01","2073.7","0.3","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C86 H69 Cl4 Cu2 F6 N10 O2 P5 -","- C86 H69 Cl4 Cu2 F6 N10 O2 P5 -","- C86 H69 Cl4 Cu2 F6 N10 O2 P5 -","1","0.5","","Larissa Bergmann; Jana Friedrichs; Mathias Mydlak; Thomas Baumann; Martin Nieger; Stefan Brase","Outstanding luminescence from neutral copper(I) complexes with pyridyl-tetrazolate and phosphine ligands","Chem.Commun.","2013","49","","6501","","10.1039/c3cc42280a","","","0.71073","MoKα","","0.0675","0.0565","","","0.1509","0.1615","","","","","","1.029","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109493","10.072","0.0006","20.3844","0.0018","17.9511","0.0018","90","","94.184","0.005","90","","3675.7","0.5","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Cu N5 O P2 -","- C45 H36 Cu N5 O P2 -","- C180 H144 Cu4 N20 O4 P8 -","4","1","","Larissa Bergmann; Jana Friedrichs; Mathias Mydlak; Thomas Baumann; Martin Nieger; Stefan Brase","Outstanding luminescence from neutral copper(I) complexes with pyridyl-tetrazolate and phosphine ligands","Chem.Commun.","2013","49","","6501","","10.1039/c3cc42280a","","","0.71073","MoKα","","0.0334","0.027","","","0.0661","0.0696","","","","","","1.035","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109494","9.3177","0.0007","18.3378","0.0009","22.3498","0.0018","90","","90.654","0.007","90","","3818.6","0.5","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H36 Cu N5 O P2 -","- C44 H36 Cu N5 O P2 -","- C176 H144 Cu4 N20 O4 P8 -","4","1","","Larissa Bergmann; Jana Friedrichs; Mathias Mydlak; Thomas Baumann; Martin Nieger; Stefan Brase","Outstanding luminescence from neutral copper(I) complexes with pyridyl-tetrazolate and phosphine ligands","Chem.Commun.","2013","49","","6501","","10.1039/c3cc42280a","","","0.71073","MoKα","","0.0418","0.0307","","","0.0691","0.0743","","","","","","1.075","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109495","7.736","0.004","8.914","0.004","9.594","0.004","90","","98.839","0.006","90","","653.7","0.5","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H17 N -","- C16 H17 N -","- C32 H34 N2 -","2","1","","David Stephens; Yu Zhang; Mathew Cormier; Gabriel Chavez; Hadi Arman; Oleg V. Larionov","Three-component reaction of small-ring cyclic amines with arynes and acetonitrile","Chem.Commun.","2013","49","","6558","","10.1039/c3cc42854k","","","0.71073","MoKα","","0.0353","0.034","","","0.0768","0.0777","","","","","","1.003","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109496","9.7382","0.0003","13.253","0.0004","18.0619","0.0007","103.453","0.003","104.559","0.003","97.098","0.003","2152.89","0.14","100","0.1","100","0.1","","","","","","","","9","P -1","-P 1","2","","","","- C98.96 H77.93 B2 Cl1.93 F6.22 Fe2 N12 O4 P1.04 -","- C98.964 H77.928 B2 Cl1.928 F6.216 Fe2 N12 O4 P1.036 -","- C98.964 H77.928 B2 Cl1.928 F6.216 Fe2 N12 O4 P1.036 -","1","0.5","","Amanda E. Baum; Sergey V. Lindeman; Adam T. Fiedler","Preparation of a semiquinonate-bridged diiron(II) complex and elucidation of its geometric and electronic structures","Chem.Commun.","2013","49","","6531","","10.1039/c3cc42980f","","","1.5418","CuKα","","0.0407","0.0393","","","0.1024","0.1038","","","","","","1.066","","","","has coordinates,has disorder","180198","2020-10-21","18:00:00",""
"7109497","9.355","0.005","14.083","0.008","24.255","0.013","90","","90","","90","","3196","3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H31 Cl3 Ir N3 O2 -","- C35 H31 Cl3 Ir N3 O2 -","- C140 H124 Cl12 Ir4 N12 O8 -","4","1","","David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos","Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes","Chem.Commun.","2013","49","","6546","","10.1039/c3cc43121e","","","0.71073","MoKα","","0.039","0.0348","","","0.0676","0.0688","","","","","","1.024","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109498","8.794","0.004","11.361","0.005","29.429","0.012","90","","90","","90","","2940","2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Ir N5 O2 -","- C34 H32 Ir N5 O2 -","- C136 H128 Ir4 N20 O8 -","4","1","","David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos","Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes","Chem.Commun.","2013","49","","6546","","10.1039/c3cc43121e","","","0.71073","MoKα","","0.0602","0.0457","","","0.066","0.0696","","","","","","0.869","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109499","19.805","0.007","19.805","0.007","12.37","0.006","90","","90","","120","","4202","3","150","2","150","2","","","","","","","","5","P 65","P 65","170","","","","- C33 H35 Ir N5 O2 -","- C30 H28 Ir N5 O2 -","- C180 H168 Ir6 N30 O12 -","6","1","","David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos","Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes","Chem.Commun.","2013","49","","6546","","10.1039/c3cc43121e","","","0.71073","MoKα","","0.0336","0.0292","","","0.0586","0.0595","","","","","","0.982","","","","has coordinates","180198","2020-10-21","18:00:00",""
"7109500","9.286","0.005","27.646","0.016","16.326","0.009","90","","94.865","0.01","90","","4176","4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H30 Ir N5 O3 -","- C30 H28 Ir N5 O3 -","- C180 H168 Ir6 N30 O18 -","6","3","","David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos","Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes","Chem.Commun.","2013","49","","6546","","10.1039/c3cc43121e","","","0.71073","MoKα","","0.097","0.0681","","","0.1225","0.1319","","","","","","0.96","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109501","8.179","0.0018","12.986","0.003","27.068","0.006","90","","90","","90","","2875","1.1","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H30 Ir N3 O -","- C37 H30 Ir N3 O -","- C148 H120 Ir4 N12 O4 -","4","1","","David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos","Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes","Chem.Commun.","2013","49","","6546","","10.1039/c3cc43121e","","","0.71073","MoKα","","0.0288","0.0239","","","0.0498","0.0511","","","","","","1","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7109502","9.541","0.002","12.508","0.003","28.06","0.007","90","","90","","90","","3348.6","1.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39.5 H40 Ir N3 O3.5 -","- C39.5 H40 Ir N3 O3.5 -","- C158 H160 Ir4 N12 O14 -","4","1","","David L. Davies; Kuldip Singh; Shalini Singh; Barbara Villa-Marcos","Preparation of single enantiomers of chiral at metal bis-cyclometallated iridium complexes","Chem.Commun.","2013","49","","6546","","10.1039/c3cc43121e","","","0.71073","MoKα","","0.0428","0.0398","","","0.0832","0.0841","","","","","","1.246","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7109503","32.5859","0.0019","32.5859","0.0019","13.4651","0.0016","90","","90","","120","","12382.3","1.8","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C80 H142 Cu12 Gd6 N20 O90 -","- C80.244 H96 Cu12 Gd6 N17.878 O67.878 -","- C240.732 H288 Cu36 Gd18 N53.634 O203.634 -","3","0.166667","","Jun-Liang Liu; Yan-Cong Chen; Quan-Wen Li; Silvia Gomez-Coca; Daniel Aravena; Eliseo Ruiz; Wei-Quan Lin; Ji-Dong Leng; Ming-Liang Tong","Two 3d-4f nanomagnets formed via a two-step in situ reaction of picolinaldehyde","Chem.Commun.","2013","49","","6549","","10.1039/c3cc43200a","","","0.71073","MoKα","","0.0912","0.0732","","","0.1472","0.1549","","","","","","1.009","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109504","11.6017","0.001","12.0819","0.0009","15.5313","0.0011","99.682","0.002","102.582","0.002","105.718","0.003","1984.6","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H83 Cu7 Dy2 N10 O52.5 -","- C26 H27 Cu3.5 Dy N5 O22 -","- C52 H54 Cu7 Dy2 N10 O44 -","2","1","","Jun-Liang Liu; Yan-Cong Chen; Quan-Wen Li; Silvia Gomez-Coca; Daniel Aravena; Eliseo Ruiz; Wei-Quan Lin; Ji-Dong Leng; Ming-Liang Tong","Two 3d-4f nanomagnets formed via a two-step in situ reaction of picolinaldehyde","Chem.Commun.","2013","49","","6549","","10.1039/c3cc43200a","","","0.71073","MoKα","","0.1724","0.1141","","","0.2386","0.2636","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109505","7.8622","0.0008","17.8077","0.0017","21.8192","0.0019","90","","104.023","0.004","90","","2963.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 N2 O23 U2 -","- C18 H6 N2 O23 U2 -","- C72 H24 N8 O92 U8 -","4","0.5","","Hao Wang; Ze Chang; Yue Li; Rong-Mei Wen; Xian-He Bu","Chiral uranyl-organic compounds assembled with achiral furandicarboxylic acid by spontaneous resolution","Chem.Commun.","2013","49","","6659","","10.1039/c3cc42255k","","","0.71075","MoKα","","0.0646","0.0465","","","0.0913","0.0961","","","","","","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109506","8.4231","0.0017","17.513","0.003","20.761","0.004","90","","100.89","0.03","90","","3007.4","1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H20 Ca O26 U2 -","- C18 H6 Ca O26 U2 -","- C72 H24 Ca4 O104 U8 -","4","1","","Hao Wang; Ze Chang; Yue Li; Rong-Mei Wen; Xian-He Bu","Chiral uranyl-organic compounds assembled with achiral furandicarboxylic acid by spontaneous resolution","Chem.Commun.","2013","49","","6659","","10.1039/c3cc42255k","","","0.71073","MoKα","","0.086","0.0636","","","0.0939","0.1012","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109507","7.9714","0.0016","17.775","0.004","21.312","0.004","90","","90","","90","","3019.7","1.1","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H12 Na2 O25 U2 -","- C18 H6 Na2 O25 U2 -","- C72 H24 Na8 O100 U8 -","4","0.5","","Hao Wang; Ze Chang; Yue Li; Rong-Mei Wen; Xian-He Bu","Chiral uranyl-organic compounds assembled with achiral furandicarboxylic acid by spontaneous resolution","Chem.Commun.","2013","49","","6659","","10.1039/c3cc42255k","","","0.71073","MoKα","","0.0496","0.0429","","","0.0917","0.0942","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109508","7.9674","0.0016","17.755","0.004","21.296","0.004","90","","90","","90","","3012.6","1.1","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H12 Na2 O25 U2 -","- C18 H6 Na2 O25 U2 -","- C72 H24 Na8 O100 U8 -","4","0.5","","Hao Wang; Ze Chang; Yue Li; Rong-Mei Wen; Xian-He Bu","Chiral uranyl-organic compounds assembled with achiral furandicarboxylic acid by spontaneous resolution","Chem.Commun.","2013","49","","6659","","10.1039/c3cc42255k","","","0.71073","MoKα","","0.0367","0.0335","","","0.0811","0.0827","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109509","16.289","0.005","5.772","0.005","16.527","0.005","90","0.005","92.596","0.005","90","0.005","1552.3","1.5","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Yi Wang; Minjie Li; Yumo Zhang; Jin Yang; Shaoyin Zhu; Lan Sheng; Xudong Wang; Bing Yang; Sean Xiao-An Zhang","Stress acidulated amphoteric molecules and mechanochromism via reversible intermolecular proton transfer","Chem.Commun.","2013","49","","6587","","10.1039/c3cc42747a","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","191076","2020-10-21","18:00:00",""
"7109510","5.9589","0.0012","20.362","0.004","12.149","0.002","90","","92.17","0.03","90","","1473","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","1","","Yi Wang; Minjie Li; Yumo Zhang; Jin Yang; Shaoyin Zhu; Lan Sheng; Xudong Wang; Bing Yang; Sean Xiao-An Zhang","Stress acidulated amphoteric molecules and mechanochromism via reversible intermolecular proton transfer","Chem.Commun.","2013","49","","6587","","10.1039/c3cc42747a","","","0.71073","MoKα","","0.0947","0.064","","","0.1985","0.231","","","","","","1.101","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109511","8.578","0.005","17.638","0.005","10.333","0.005","90","0.005","102.223","0.005","90","0.005","1527.9","1.2","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Yi Wang; Minjie Li; Yumo Zhang; Jin Yang; Shaoyin Zhu; Lan Sheng; Xudong Wang; Bing Yang; Sean Xiao-An Zhang","Stress acidulated amphoteric molecules and mechanochromism via reversible intermolecular proton transfer","Chem.Commun.","2013","49","","6587","","10.1039/c3cc42747a","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109512","13.6272","0.0002","13.6272","0.0002","10.0246","0.0003","90","","90","","90","","1861.57","0.07","293","2","293","2","","","","","","","","6","I -4 2 m","I -4 2","121","MOZIF-1","","","- C6 H4 Mo N6 O8 Zn2 -","- C6 H4 Mo N6 O8 Zn2 -","- C24 H16 Mo4 N24 O32 Zn8 -","4","0.25","","Chandan Dey; Rahul Banerjee","Controlled synthesis of a catalytically active hybrid metal-oxide incorporated zeolitic imidazolate framework (MOZIF)","Chem.Commun.","2013","49","","6617","","10.1039/c3cc42904k","","","0.71073","MoKα","","0.0511","0.0408","","","0.0938","0.0984","","","","","","1.162","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109513","18.3527","0.0011","26.9955","0.0016","17.5813","0.0011","90","","106.482","0.001","90","","8352.6","0.9","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H42 Cl2 N10 O18 Zn -","- C56 H42 Cl2 N10 O18 Zn -","- C224 H168 Cl8 N40 O72 Zn4 -","4","0.5","","Atanu Mitra; Christian T. Hubley; Dillip K. Panda; Ronald J. Clark; Sourav Saha","Anion-directed assembly of a non-interpenetrated square-grid metal-organic framework with nanoscale porosity","Chem.Commun.","2013","49","","6629","","10.1039/c3cc43178a","","","0.71073","MoKα","","0.074","0.0611","","","0.1744","0.1818","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109514","12.4649","0.0007","17.5979","0.001","15.8811","0.0009","90","","106.543","0.001","90","","3339.4","0.3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N8 O12 Zn -","- C32 H30 N8 O12 Zn -","- C128 H120 N32 O48 Zn4 -","4","1","","Atanu Mitra; Christian T. Hubley; Dillip K. Panda; Ronald J. Clark; Sourav Saha","Anion-directed assembly of a non-interpenetrated square-grid metal-organic framework with nanoscale porosity","Chem.Commun.","2013","49","","6629","","10.1039/c3cc43178a","","","0.71073","MoKα","","0.0506","0.0447","","","0.1033","0.107","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109515","18.8053","0.0015","13.8571","0.0011","18.1615","0.0014","90","","105.249","0.002","90","","4566","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H70 Cl4 N6 -","- C47 H70 Cl4 N6 -","- C188 H280 Cl16 N24 -","4","0.5","","Gary L. Guillet; Forrest T. Sloane; David M. Ermert; Matthew W. Calkins; Marcus K. Peprah; Elisabeth S. Knowles; Erik Cizmar; Khalil A. Abboud; Mark W. Meisel; Leslie J. Murray","Preorganized assembly of three iron(II) or manganese(II) beta-diketiminate complexes using a cyclophane ligand","Chem.Commun.","2013","49","","6635","","10.1039/c3cc43395a","","","0.71073","MoKα","","0.0456","0.0378","","","0.1073","0.1128","","","","","","1.072","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109516","11.9019","0.0004","15.8453","0.0005","17.0528","0.0005","90.492","0.002","96.339","0.002","102.919","0.002","3113.57","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H87 Br3 Mn3 N6 -","- C66 H87 Br3 Mn3 N6 -","- C132 H174 Br6 Mn6 N12 -","2","1","","Gary L. Guillet; Forrest T. Sloane; David M. Ermert; Matthew W. Calkins; Marcus K. Peprah; Elisabeth S. Knowles; Erik Cizmar; Khalil A. Abboud; Mark W. Meisel; Leslie J. Murray","Preorganized assembly of three iron(II) or manganese(II) beta-diketiminate complexes using a cyclophane ligand","Chem.Commun.","2013","49","","6635","","10.1039/c3cc43395a","","","0.71073","MoKα","","0.0411","0.0279","","","0.0673","0.0703","","","","","","0.97","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109517","11.8711","0.0012","15.8346","0.0016","16.954","0.0017","90.828","0.002","96.343","0.002","102.824","0.002","3085.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H87 Br3 Fe3 N6 -","- C66 H87 Br3 Fe3 N6 -","- C132 H174 Br6 Fe6 N12 -","2","1","","Gary L. Guillet; Forrest T. Sloane; David M. Ermert; Matthew W. Calkins; Marcus K. Peprah; Elisabeth S. Knowles; Erik Cizmar; Khalil A. Abboud; Mark W. Meisel; Leslie J. Murray","Preorganized assembly of three iron(II) or manganese(II) beta-diketiminate complexes using a cyclophane ligand","Chem.Commun.","2013","49","","6635","","10.1039/c3cc43395a","","","0.71073","MoKα","","0.0514","0.0296","","","0.0667","0.071","","","","","","0.917","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109518","11.7852","0.0019","5.2544","0.0009","39.59","0.006","90","","91.346","0.003","90","","2450.9","0.7","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 S6 -","- C24 H24 S6 -","- C96 H96 S24 -","4","1","","Mary S. Collins; Matthew E. Carnes; Aaron C. Sather; Orion B. Berryman; Lev N. Zakharov; Simon J. Teat; Darren W. Johnson","Pnictogen-directed synthesis of discrete disulfide macrocycles","Chem.Commun.","2013","49","","6599","","10.1039/c3cc43524e","","","0.71073","MoKα","","0.0699","0.053","","","0.1316","0.1446","","","","","","1.07","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109519","24.141","0.002","21.7139","0.0017","14.5348","0.0012","90","","112.434","0.002","90","","7042.5","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37.25 H33 Cl3 S6 -","- C37.25 H32 Cl3 S6 -","- C298 H256 Cl24 S48 -","8","1","","Mary S. Collins; Matthew E. Carnes; Aaron C. Sather; Orion B. Berryman; Lev N. Zakharov; Simon J. Teat; Darren W. Johnson","Pnictogen-directed synthesis of discrete disulfide macrocycles","Chem.Commun.","2013","49","","6599","","10.1039/c3cc43524e","","","0.71073","MoKα","","0.0921","0.0579","","","0.1389","0.1627","","","","","","1.058","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109520","8.735","0.004","38.295","0.016","11.313","0.005","90","","97.668","0.008","90","","3750","3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C43 H38 S6 -","- C43 H38 S6 -","- C172 H152 S24 -","4","1","","Mary S. Collins; Matthew E. Carnes; Aaron C. Sather; Orion B. Berryman; Lev N. Zakharov; Simon J. Teat; Darren W. Johnson","Pnictogen-directed synthesis of discrete disulfide macrocycles","Chem.Commun.","2013","49","","6599","","10.1039/c3cc43524e","","","0.71073","MoKα","","0.1463","0.0809","","","0.1629","0.1949","","","","","","1.096","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109521","25.574","0.004","5.3723","0.0009","26.6","0.004","90","","98.9","0.002","90","","3610.6","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H33 Cl3 S8 -","- C33 H32 Cl3 S8 -","- C132 H128 Cl12 S32 -","4","0.5","","Mary S. Collins; Matthew E. Carnes; Aaron C. Sather; Orion B. Berryman; Lev N. Zakharov; Simon J. Teat; Darren W. Johnson","Pnictogen-directed synthesis of discrete disulfide macrocycles","Chem.Commun.","2013","49","","6599","","10.1039/c3cc43524e","","","0.7749","","","0.0949","0.0767","","","0.2031","0.2175","","","","","","1.02","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109522","10.9249","0.0007","15.2293","0.0012","17.0702","0.0014","78.062","0.006","71.424","0.006","69.028","0.006","2499.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H84 Cl10 N16 S10 Sn6 -","- C73 H86 Cl10 N16 S10 Sn6 -","- C73 H86 Cl10 N16 S10 Sn6 -","1","0.5","","Beatrix E. K. Barth; Eliza Leusmann; Klaus Harms; Stefanie Dehnen","Towards the installation of transition metal ions on donor ligand decorated tin sulfide clusters","Chem.Commun.","2013","49","","6590","","10.1039/c3cc43649g","","","0.71073","MoKα","","0.0699","0.0512","","","0.1209","0.1293","","","","","","0.95","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109523","13.0812","0.0011","22.5874","0.0014","16.9755","0.0013","90","","96.153","0.006","90","","4986.9","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C77 H104 N16 O7 S10 Sn6 -","- C77 H104 N16 O7 S10 Sn6 -","- C154 H208 N32 O14 S20 Sn12 -","2","0.25","","Beatrix E. K. Barth; Eliza Leusmann; Klaus Harms; Stefanie Dehnen","Towards the installation of transition metal ions on donor ligand decorated tin sulfide clusters","Chem.Commun.","2013","49","","6590","","10.1039/c3cc43649g","","","0.71073","MoKα","","0.1115","0.0463","","","0.0718","0.0855","","","","","","0.821","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109524","26.7544","0.0015","26.7544","0.0015","15.648","0.0011","90","","90","","90","","11200.8","1.2","100","2","100","2","","","","","","","","7","I 41/a","-I 4ad","88","","","","- C72 H82 Cl18 N16 S10 Sn4 Zn8 -","- C72 H82 Cl18 N16 S10 Sn4 Zn8 -","- C288 H328 Cl72 N64 S40 Sn16 Zn32 -","4","","","Beatrix E. K. Barth; Eliza Leusmann; Klaus Harms; Stefanie Dehnen","Towards the installation of transition metal ions on donor ligand decorated tin sulfide clusters","Chem.Commun.","2013","49","","6590","","10.1039/c3cc43649g","","","0.71073","MoKα","","0.1996","0.0667","","","0.1217","0.159","","","","","","0.806","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109525","16.0625","0.0011","18.7495","0.001","20.2991","0.0012","85.537","0.005","70.132","0.005","70.846","0.005","5427.3","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H79 Br8 Cl5 N16 S10 Sn4 Zn8 -","- C70 H79 Br8 Cl5 N16 S10 Sn4 Zn8 -","- C140 H158 Br16 Cl10 N32 S20 Sn8 Zn16 -","2","1","","Beatrix E. K. Barth; Eliza Leusmann; Klaus Harms; Stefanie Dehnen","Towards the installation of transition metal ions on donor ligand decorated tin sulfide clusters","Chem.Commun.","2013","49","","6590","","10.1039/c3cc43649g","","","0.71073","MoKα","","0.1551","0.0589","","","0.0938","0.1188","","","","","","0.863","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109526","16.5734","0.0005","19.2405","0.0005","20.2479","0.0006","85.019","0.002","69.865","0.002","70.661","0.002","5717.3","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C70 H81.25 Cl3.75 I8 N16 O1.25 S10 Sn4 Zn8 -","- C70 H81.25 Cl3.75 I8 N16 O1.25 S10 Sn4 Zn8 -","- C140 H162.5 Cl7.5 I16 N32 O2.5 S20 Sn8 Zn16 -","2","1","","Beatrix E. K. Barth; Eliza Leusmann; Klaus Harms; Stefanie Dehnen","Towards the installation of transition metal ions on donor ligand decorated tin sulfide clusters","Chem.Commun.","2013","49","","6590","","10.1039/c3cc43649g","","","0.71073","MoKα","","0.0903","0.0496","","","0.1089","0.1281","","","","","","0.952","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109527","9.93","0.002","11.163","0.003","24.219","0.006","90","","90","","90","","2684.6","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 Br N3 O6 -","- C27 H28 Br N3 O6 -","- C108 H112 Br4 N12 O24 -","4","1","","Liang Hong; Ming Kai; Chongyang Wu; Wangsheng Sun; Gongming Zhu; Guofeng Li; Xiaojun Yao; Rui Wang","Enantioselective 1,3-dipolar cycloaddition of methyleneindolinones and N,N'-cyclic azomethine imines","Chem.Commun.","2013","49","","6713","","10.1039/c3cc41507d","","","0.71073","MoKα","","0.0439","0.0356","","","0.088","0.0923","","","","","","1.051","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109528","18.8163","0.0013","18.8163","0.0013","38.079","0.004","90","","90","","120","","11675.7","1.7","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C63 H39 Cu6 N3 O30 -","- C63.12 H18 Cu6 N3.12 O30 -","- C189.36 H54 Cu18 N9.36 O90 -","3","0.0833333","","Xingtang Rao; Jianfeng Cai; Jiancan Yu; Yabing He; Chuande Wu; Wei Zhou; Taner Yildirim; Banglin Chen; Guodong Qian","A microporous metal-organic framework with both open metal and Lewis basic pyridyl sites for high C2H2 and CH4 storage at room temperature","Chem.Commun.","2013","49","","6719","","10.1039/c3cc41866a","","","0.71073","MoKα","","0.1297","0.0935","","","0.2063","0.2233","","","","","","1.086","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109529","8.814","0.005","10.078","0.006","10.987","0.006","95.156","0.006","100.052","0.008","96.941","0.007","947.8","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N2 O2 S2 -","- C21 H18 N2 O2 S2 -","- C42 H36 N4 O4 S4 -","2","1","","Bagineni Prasad; B. Yogi Sreenivas; G. Rama Krishna; Ravikumar Kapavarapu; Manojit Pal","Pd-mediated construction of a cyclopentane ring fused with indoles","Chem.Commun.","2013","49","","6716","","10.1039/c3cc42309c","","","0.71073","MoKα","","0.149","0.0689","","","0.1726","0.2155","","","","","","1.107","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109530","12.0371","0.0012","16.436","0.0015","23.031","0.002","90","","100.793","0.002","90","","4475.9","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H64 N3 Zn -","- C50 H64 N3 Zn -","- C200 H256 N12 Zn4 -","4","1","","John J. Sandoval; Pilar Palma; Eleuterio Alvarez; Antonio Rodriguez-Delgado; Juan Campora","Dibenzyl and diallyl 2,6-bisiminopyridinezinc(II) complexes: selective alkyl migration to the pyridine ring leads to remarkably stable dihydropyridinates","Chem.Commun.","2013","49","","6791","","10.1039/c3cc42798f","","","0.71073","MoKα","","0.0818","0.0502","","","0.1432","0.1662","","","","","","1.04","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109531","12.946","0.002","13.28","0.002","13.803","0.002","90","","112.237","0.002","90","","2196.6","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 Mn2 N12 Nb O8 -","- C36 H32 Mn2 N12 Nb O8 -","- C72 H64 Mn4 N24 Nb2 O16 -","2","1","","Szymon Chorazy; Robert Podgajny; Wojciech Nitek; Tomasz Fic; Edward Gorlich; Michal Rams; Barbara Sieklucka","Natural and magnetic optical activity of 2-D chiral cyanido-bridged MnII-NbIV molecular ferrimagnets","Chem.Commun.","2013","49","","6731","","10.1039/c3cc43195a","","","0.71073","MoKα","","0.043","0.035","","","0.0827","0.1012","","","","","","1.176","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109532","12.95","0.005","13.276","0.005","13.81","0.005","90","0.005","112.258","0.005","90","0.005","2197.4","1.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H44 Mn2 N12 Nb O8 -","- C36 H32 Mn2 N12 Nb O8 -","- C72 H64 Mn4 N24 Nb2 O16 -","2","1","","Szymon Chorazy; Robert Podgajny; Wojciech Nitek; Tomasz Fic; Edward Gorlich; Michal Rams; Barbara Sieklucka","Natural and magnetic optical activity of 2-D chiral cyanido-bridged MnII-NbIV molecular ferrimagnets","Chem.Commun.","2013","49","","6731","","10.1039/c3cc43195a","","","0.71069","MoKα","","0.0373","0.0313","","","0.0749","0.0792","","","","","","1.047","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109533","19.848","0.0002","19.848","0.0002","27.853","0.0005","90","","90","","120","","9502.5","0.2","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C66 H0 N0 O16 Yb3 -","- C66 H36 O16 Yb3 -","- C132 H72 O32 Yb6 -","2","0.166667","","Yabing He; Hiroyasu Furukawa; Chuande Wu; Michael O'Keeffe; Rajamani Krishna; Banglin Chen","Low-energy regeneration and high productivity in a lanthanide-hexacarboxylate framework for high-pressure CO2-CH4-H2 separation","Chem.Commun.","2013","49","","6773","","10.1039/c3cc43196g","","","1.54178","CuKα","","0.0736","0.0633","","","0.1943","0.2097","","","","","","1.23","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109534","7.4635","0.0011","10.487","0.003","11.065","0.002","71.601","0.018","88.482","0.015","72.077","0.013","779.5","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H16 N2 -","- C21 H16 N2 -","- C42 H32 N4 -","2","1","","Xiang Su; Chao Chen; Yong Wang; Junjie Chen; Zhenbang Lou; Ming Li","One-pot synthesis of quinazoline derivatives via [2+2+2] cascade annulation of diaryliodonium salts and two nitriles","Chem.Commun.","2013","49","","6752","","10.1039/c3cc43216e","","","0.71073","MoKα","","0.0906","0.0571","","","0.1082","0.1211","","","","","","1.013","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109535","7.482","0.002","9.231","0.003","12.345","0.003","71.15","0.03","75.16","0.02","86.82","0.03","779.6","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O -","- C19 H20 N2 O -","- C38 H40 N4 O2 -","2","1","","Xiang Su; Chao Chen; Yong Wang; Junjie Chen; Zhenbang Lou; Ming Li","One-pot synthesis of quinazoline derivatives via [2+2+2] cascade annulation of diaryliodonium salts and two nitriles","Chem.Commun.","2013","49","","6752","","10.1039/c3cc43216e","","","0.71073","MoKα","","0.1237","0.0599","","","0.1129","0.1339","","","","","","1.036","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109536","7.6889","0.0003","31.588","0.0011","14.4774","0.0004","90","","91.378","0.004","90","","3515.2","0.2","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 Si -","- C47 H42 Si -","- C188 H168 Si4 -","4","1","","Sebastian H. Etschel; Andreas R. Waterloo; Johannes T. Margraf; Atefeh Y. Amin; Frank Hampel; Christof M. Jager; Timothy Clark; Marcus Halik; Rik R. Tykwinski","An unsymmetrical pentacene derivative with ambipolar behavior in organic thin-film transistors","Chem.Commun.","2013","49","","6725","","10.1039/c3cc43270j","","","1.5418","CuKα","","0.067","0.051","","","0.1362","0.1518","","","","","","1.027","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109537","9.2544","0.0002","18.2908","0.0005","24.1358","0.0005","90.662","0.002","98.7052","0.0019","103.547","0.002","3921.36","0.16","173","0.1","173","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C50 H48 Si -","- C50 H48 Si -","- C200 H192 Si4 -","4","2","","Sebastian H. Etschel; Andreas R. Waterloo; Johannes T. Margraf; Atefeh Y. Amin; Frank Hampel; Christof M. Jager; Timothy Clark; Marcus Halik; Rik R. Tykwinski","An unsymmetrical pentacene derivative with ambipolar behavior in organic thin-film transistors","Chem.Commun.","2013","49","","6725","","10.1039/c3cc43270j","","","1.5418","CuKα","","0.0875","0.0794","","","0.2168","0.2239","","","","","","1.021","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109538","12.5164","0.0009","12.9102","0.001","13.3024","0.0011","85.827","0.007","62.967","0.008","72.234","0.007","1817.9","0.3","173","0.2","173","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H41 F Si -","- C47 H41 F Si -","- C94 H82 F2 Si2 -","2","1","","Sebastian H. Etschel; Andreas R. Waterloo; Johannes T. Margraf; Atefeh Y. Amin; Frank Hampel; Christof M. Jager; Timothy Clark; Marcus Halik; Rik R. Tykwinski","An unsymmetrical pentacene derivative with ambipolar behavior in organic thin-film transistors","Chem.Commun.","2013","49","","6725","","10.1039/c3cc43270j","","","1.5418","CuKα","","0.08","0.0531","","","0.1345","0.1504","","","","","","1.033","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109539","10.6165","0.0002","11.788","0.0003","14.3411","0.0003","100.747","0.0019","110.181","0.002","92.247","0.0019","1644.55","0.07","120","0.14","120","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H46 O4 -","- C40 H46 O4 -","- C80 H92 O8 -","2","1","","Karolina Flidrova; Petr Slavik; Vaclav Eigner; Hana Dvorakova; Pavel Lhotak","meta-Bridged calix[4]arenes: a straightforward synthesis via organomercurial chemistry","Chem.Commun.","2013","49","","6749","","10.1039/c3cc43284j","","x-ray","1.5418","CuKα","","0.0449","0.0405","","","0.1238","0.1272","","","","2.46","2.46","2.38","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109540","7.33245","0.00016","33.2368","0.0005","10.52859","0.00018","90","","101.696","0.0019","90","","2512.62","0.08","190","","190","","","","101","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 O4 -","- C32 H30 O4 -","- C128 H120 O16 -","4","1","","Karolina Flidrova; Petr Slavik; Vaclav Eigner; Hana Dvorakova; Pavel Lhotak","meta-Bridged calix[4]arenes: a straightforward synthesis via organomercurial chemistry","Chem.Commun.","2013","49","","6749","","10.1039/c3cc43284j","","","1.54184","CuKα","","0.0463","0.0443","","0.1426","0.14","0.1426","","","","","","0.9978","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109541","11.09428","0.00016","15.3379","0.00018","17.4781","0.0002","90","","91.8464","0.0012","90","","2972.58","0.06","293","","293","","","","101","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H38 O4 -","- C36 H38 O4 -","- C144 H152 O16 -","4","1","","Karolina Flidrova; Petr Slavik; Vaclav Eigner; Hana Dvorakova; Pavel Lhotak","meta-Bridged calix[4]arenes: a straightforward synthesis via organomercurial chemistry","Chem.Commun.","2013","49","","6749","","10.1039/c3cc43284j","","","1.54184","CuKα","","0.0709","0.0653","","0.1236","0.1169","0.1236","","","","","","1.0514","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7109542","39.7452","0.0014","31.0576","0.0012","32.6515","0.0012","90","","90","","90","","40305","3","150","2","150","2","","","","","","","","7","I m m m","-I 2 2","71","","","","- C352 H368 Cl16 Co32 N56 O32 S32 -","- C351.988 H367.988 Cl16 Co32 N56 O32 S32 -","- C703.976 H735.976 Cl32 Co64 N112 O64 S64 -","2","0.125","","Yanfeng Bi; Shentang Wang; Mei Liu; Shangchao Du; Wuping Liao","A tetragonal prismatic {Co32} nanocage based on thiacalixarene","Chem.Commun.","2013","49","","6785","","10.1039/c3cc43347a","","","0.71073","MoKα","","0.0971","0.0746","","","0.2185","0.2316","","","","","","1.052","","","","has coordinates,has disorder","211196","2020-10-21","18:00:00",""
"7109543","16.7149","0.0009","15.1584","0.0008","15.9373","0.0008","90","","112.098","0.002","90","","3741.4","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","CTHMOF238","uhouston02","","- C32 H16 Cu2 F16 O12 -","- C32 H16 Cu2 F16 O12 -","- C128 H64 Cu8 F64 O48 -","4","1","","Teng-Hao Chen; Ilya Popov; Oussama Zenasni; Olafs Daugulis; Ognjen S. Miljanic","Superhydrophobic perfluorinated metal-organic frameworks","Chem.Commun.","2013","49","","6846","","10.1039/c3cc41564c","","","0.71073","MoKα","","0.0488","0.0394","","","0.105","0.111","","","","","","1.091","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7109544","23.065","0.005","19.498","0.004","9.529","0.002","90","","94.91","0.03","90","","4269.7","1.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H12 Cu2 F16 N2 O8 -","- C34.94 H11.88 Cu2 F16 N2 O8 -","- C139.76 H47.52 Cu8 F64 N8 O32 -","4","0.5","","Teng-Hao Chen; Ilya Popov; Oussama Zenasni; Olafs Daugulis; Ognjen S. Miljanic","Superhydrophobic perfluorinated metal-organic frameworks","Chem.Commun.","2013","49","","6846","","10.1039/c3cc41564c","","","0.71073","MoKα","","0.1031","0.0551","","","0.1586","0.1972","","","","","","1.03","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109545","15.8991","0.001","31.5712","0.0018","13.8721","0.0008","90","","115.357","0.003","90","","6292.3","0.7","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","CTHMOF342","uhouston05","","- C14 H2 Cu F8 N8 O -","- C14 H2 Cu F8 N8 O -","- C112 H16 Cu8 F64 N64 O8 -","8","1","","Teng-Hao Chen; Ilya Popov; Oussama Zenasni; Olafs Daugulis; Ognjen S. Miljanic","Superhydrophobic perfluorinated metal-organic frameworks","Chem.Commun.","2013","49","","6846","","10.1039/c3cc41564c","","","0.71073","MoKα","","0.0896","0.0753","","","0.2272","0.2346","","","","","","1.119","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7109546","7.9268","0.0009","10.2717","0.0013","11.4612","0.0016","115.014","0.013","108.424","0.012","93.149","0.01","782.8","0.2","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N O -","- C20 H17 N O -","- C40 H34 N2 O2 -","2","1","","Qian Zhang; Fan Yang; Yangjie Wu","Palladium-catalyzed ortho-acylation of 2-aryl pyridine derivatives using arylmethyl amines as new acyl sources","Chem.Commun.","2013","49","","6837","","10.1039/c3cc42106f","","","0.7107","MoKα","","0.0625","0.045","","","0.1098","0.1209","","","","","","1.022","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109547","23.776","0.003","13.2356","0.0013","18.2673","0.0018","90","","125.025","0.006","90","","4707.5","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H72 Cl3 Li3 N12 O3 -","- C33 H72 Cl3 Li3 N12 O3 -","- C132 H288 Cl12 Li12 N48 O12 -","4","0.5","","Tim Schulz; Christian Farber; Michael Leibold; Clemens Bruhn; Wolfgang Baumann; Detlef Selent; Timo Porsch; Max C. Holthausen; Ulrich Siemeling","Carbonylation of the simplest persistent diaminocarbene","Chem.Commun.","2013","49","","6834","","10.1039/c3cc42888e","","","0.71073","MoKα","","0.0741","0.0414","","","0.0767","0.0838","","","","","","0.887","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109548","11.9689","0.001","18.788","0.002","18","0.0015","90","","101.455","0.007","90","","3967.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H53 Cl2 N4 O -","- C42 H53 Cl2 N4 O -","- C168 H212 Cl8 N16 O4 -","4","1","","Tim Schulz; Christian Farber; Michael Leibold; Clemens Bruhn; Wolfgang Baumann; Detlef Selent; Timo Porsch; Max C. Holthausen; Ulrich Siemeling","Carbonylation of the simplest persistent diaminocarbene","Chem.Commun.","2013","49","","6834","","10.1039/c3cc42888e","","","0.71073","MoKα","","0.1225","0.0625","","","0.0755","0.0804","","","","","","1.35","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109549","10.7844","0.0005","13.4639","0.0006","14.1917","0.0006","71.163","0.004","77.783","0.004","84.067","0.004","1904.73","0.16","116","","116","","","","","","","","","5","P -1","-P 1","2","","","","- C86 H86 Cu2 O10 P4 -","- C86 H86 Cu2 O10 P4 -","- C86 H86 Cu2 O10 P4 -","1","0.5","","David Adner; Marcus Korb; Steffen Schulze; Michael Hietschold; Heinrich Lang","A straightforward approach to oxide-free copper nanoparticles by thermal decomposition of a copper(I) precursor","Chem.Commun.","2013","49","","6855","","10.1039/c3cc42914h","","","1.54184","CuKα","","0.0585","0.051","","","0.1356","0.1397","","","","","","0.982","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109550","10.2304","0.0013","10.5293","0.0013","13.0853","0.0014","100.836","0.01","90.736","0.009","113.42","0.012","1264.3","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H34 N2 O18 Zn3 -","- C54 H30 N2 O18 Zn3 -","- C54 H30 N2 O18 Zn3 -","1","0.5","","Jianwei Cao; Yanfei Gao; Yanqin Wang; Chunfang Du; Zhiliang Liu","A microporous metal-organic open framework containing uncoordinated carbonyl groups as postsynthetic modification sites for cation exchange and Tb3+ sensing","Chem.Commun.","2013","49","","6897","","10.1039/c3cc43168a","","","0.71073","MoKα","","0.155","0.0847","","","0.1663","0.2144","","","","","","0.99","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109551","14.0632","0.0014","7.2591","0.0007","11.4968","0.0011","90","","111.238","0.001","90","","1093.95","0.18","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O8 -","- C24 H24 O8 -","- C48 H48 O16 -","2","0.5","","Shuang Liang; Shan-Xiang Liu; Hui-Zi Jin; Lei Shan; Shi-Chong Yu; Yun-Heng Shen; Hui-Liang Li; Qiu-Ye Wu; Qing-Yan Sun; Wei-Dong Zhang","Two novel innovanoside dimers from Daphne aurantiaca and a concise total synthesis of diinnovanoside A","Chem.Commun.","2013","49","","6968","","10.1039/c3cc41811a","","","0.71073","MoKα","","0.0458","0.04","","","0.1109","0.1169","","","","","","1.022","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109552","7.604","0.003","7.312","0.003","18.317","0.007","90","","90","","90","","1018.4","0.7","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H8 Co N4 O5 -","- C8 H8 Co N4 O5 -","- C32 H32 Co4 N16 O20 -","4","0.5","","Yan-Qin Wang; Ai-Ling Cheng; Pei-Pei Liu; En-Qing Gao","Unusual composition dependence of magnetic relaxation for CoII1-xNiIIx chain-based metal-organic frameworks","Chem.Commun.","2013","49","","6995","","10.1039/c3cc43212b","","","0.71073","MoKα","","0.0921","0.0551","","","0.1509","0.175","","","","","","0.956","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109553","7.6031","0.0006","7.2312","0.0006","18.195","0.002","90","","90","","90","","1000.35","0.16","295","","295","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H8 N4 Ni O5 -","- C8 H8 N4 Ni O5 -","- C32 H32 N16 Ni4 O20 -","4","0.5","","Yan-Qin Wang; Ai-Ling Cheng; Pei-Pei Liu; En-Qing Gao","Unusual composition dependence of magnetic relaxation for CoII1-xNiIIx chain-based metal-organic frameworks","Chem.Commun.","2013","49","","6995","","10.1039/c3cc43212b","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109554","11.3861","0.0003","17.9307","0.0005","22.6904","0.0006","95.861","0.004","100.979","0.003","92.959","0.005","4511.9","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H46 B F10 P -","- C47.5 H42 B F10 P -","- C190 H168 B4 F40 P4 -","4","2","","Olga Ekkert; Ottmar Tuschewitzki; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Reaction of strongly electrophilic alkenylboranes with phosphanylalkynes: rare examples of intermolecular 1,1-alkenylboration reactions","Chem.Commun.","2013","49","","6992","","10.1039/c3cc43294g","","","1.54178","CuKα","","0.1575","0.0743","","","0.1746","0.2114","","","","","","1.046","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109555","11.6685","0.0002","13.0796","0.0005","13.1348","0.0007","102.092","0.004","100.916","0.002","111.06","0.003","1750.6","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H28 B F10 P -","- C39 H28 B F10 P -","- C78 H56 B2 F20 P2 -","2","1","","Olga Ekkert; Ottmar Tuschewitzki; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Reaction of strongly electrophilic alkenylboranes with phosphanylalkynes: rare examples of intermolecular 1,1-alkenylboration reactions","Chem.Commun.","2013","49","","6992","","10.1039/c3cc43294g","","","1.54178","CuKα","","0.0406","0.0391","","","0.1063","0.108","","","","","","1.046","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109556","31.8747","0.0006","21.7074","0.0005","9.5693","0.0002","90","","90","","90","","6621.2","0.2","223","2","223","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C38 H26 B F10 P -","- C38 H26 B F10 P -","- C304 H208 B8 F80 P8 -","8","","","Olga Ekkert; Ottmar Tuschewitzki; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Reaction of strongly electrophilic alkenylboranes with phosphanylalkynes: rare examples of intermolecular 1,1-alkenylboration reactions","Chem.Commun.","2013","49","","6992","","10.1039/c3cc43294g","","","1.54178","CuKα","","0.0369","0.0339","","","0.0864","0.089","","","","","","1.05","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109557","13.8469","0.0004","18.4534","0.0004","14.8031","0.0007","90","","106.575","0.002","90","","3625.3","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41.5 H25 B Cl F10 P -","- C41 H24 B F10 P -","- C164 H96 B4 F40 P4 -","4","1","","Olga Ekkert; Ottmar Tuschewitzki; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker","Reaction of strongly electrophilic alkenylboranes with phosphanylalkynes: rare examples of intermolecular 1,1-alkenylboration reactions","Chem.Commun.","2013","49","","6992","","10.1039/c3cc43294g","","","1.54178","CuKα","","0.0478","0.0405","","","0.0999","0.1038","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109558","14.6432","0.0017","7.6244","0.0009","23.275","0.003","90","","104.693","0.002","90","","2513.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N5 O2 -","- C29 H25 N5 O2 -","- C116 H100 N20 O8 -","4","1","","Cheng-Pao Cao; Wei Lin; Ming-Hua Hu; Zhi-Bin Huang; Da-Qing Shi","Highly efficient construction of pentacyclic benzo[b]indeno-[1,2,3-de][1,8]naphthyridine derivatives via four-component domino reaction","Chem.Commun.","2013","49","","6983","","10.1039/c3cc43489c","","","0.71073","MoKα","","0.1522","0.084","","","0.1996","0.2565","","","","","","1.052","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109559","11.068","0.003","8.982","0.003","21.773","0.007","90","","92.46","0.03","90","","2162.5","1.2","133","","133","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H11 Cl5 F3 N3 -","- C21 H11 Cl5 F3 N3 -","- C84 H44 Cl20 F12 N12 -","4","1","","Masatoshi Ishida; Pyosang Kim; Jiyoung Choi; Juyoung Yoon; Dongho Kim; Jonathan L. Sessler","Benzimidazole-embedded N-fused aza-indacenes: synthesis and deprotonation-assisted optical detection of carbon dioxide","Chem.Commun.","2013","49","","6950","","10.1039/c3cc43938k","","","0.71075","MoKα","","","0.0375","","","","0.093","","","","","","0.942","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109560","8.1864","0.0012","10.575","0.002","22.441","0.004","90","","91.64","0.009","90","","1941.9","0.6","133","","133","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 Cl2 F3 N3 -","- C24 H12 Cl2 F3 N3 -","- C96 H48 Cl8 F12 N12 -","4","1","","Masatoshi Ishida; Pyosang Kim; Jiyoung Choi; Juyoung Yoon; Dongho Kim; Jonathan L. Sessler","Benzimidazole-embedded N-fused aza-indacenes: synthesis and deprotonation-assisted optical detection of carbon dioxide","Chem.Commun.","2013","49","","6950","","10.1039/c3cc43938k","","","0.71075","MoKα","","","0.0338","","","","0.0819","","","","","","1.036","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109561","6.2466","0.0004","6.8285","0.0006","16.0444","0.0015","90","","94.122","0.008","90","","682.6","0.1","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O5 -","- C12 H22 O5 -","- C24 H44 O10 -","2","1","","Xiaofeng Ma; Qin Tang; Jun Ke; Jichao Zhang; Cong Wang; Haibo Wang; Yuxue Li; Huawu Shao","Straightforward and highly diastereoselective synthesis of 2,2-di-substituted perhydrofuro[2,3-b]pyran (and furan) derivatives promoted by BiCl3","Chem.Commun.","2013","49","","7085","","10.1039/c3cc42292e","","","0.7107","MoKα","","0.1057","0.0748","","","0.1934","0.2271","","","","","","1.064","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109562","6.1724","0.0005","7.558","0.0007","17.4798","0.0017","94.621","0.007","94.116","0.007","97.738","0.006","802.58","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N0 O3 -","- C19 H19 O3 -","- C38 H38 O6 -","2","1","","Ting Han; Yijia Zhang; Xiao Feng; Zhengguo Lin; Bin Tong; Jianbing Shi; Junge Zhi; Yuping Dong","Reversible and hydrogen bonding-assisted piezochromic luminescence for solid-state tetraaryl-buta-1,3-diene","Chem.Commun.","2013","49","","7049","","10.1039/c3cc42644k","","","1.54178","CuKα","","0.0897","0.0885","","","0.278","0.2815","","","","","","3.061","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109563","7.2262","0.0002","9.2507","0.0002","11.412","0.0003","102.15","0.001","92.359","0.001","92.367","0.001","744.17","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O3 -","- C15 H21 N3 O3 -","- C30 H42 N6 O6 -","2","1","","Ka-Ho Ng; Zhongyuan Zhou; Wing-Yiu Yu","[Cp*RhCl2]2-catalyzed ortho-C-H bond amination of acetophenone o-methyloximes with primary N-chloroalkylamines: convenient synthesis of N-alkyl-2-acylanilines","Chem.Commun.","2013","49","","7031","","10.1039/c3cc42937g","","","0.71073","MoKα","","0.0591","0.0423","","","0.1067","0.1186","","","","","","1.004","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109564","9.33249","0.0001","15.31121","0.00015","20.0967","0.0002","90","","90","","90","","2871.65","0.05","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 B F4 N O2 -","- C31 H36 B F4 N O2 -","- C124 H144 B4 F16 N4 O8 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Paul M. Roberts; James E. Thomson; Charlotte M. Zammit","Asymmetric syntheses of enantiopure C(5)-substituted transpentacins via diastereoselective Ireland-Claisen rearrangements","Chem.Commun.","2013","49","","7037","","10.1039/c3cc43250e","","","1.54184","CuKα","","0.0391","0.0382","","0.1035","0.1027","0.1017","","","","","","1.0101","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109565","7.9925","0.0002","16.7779","0.0004","10.6442","0.0003","90","","111.582","0.003","90","","1327.29","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H35 N O2 -","- C31 H35 N O2 -","- C62 H70 N2 O4 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Paul M. Roberts; James E. Thomson; Charlotte M. Zammit","Asymmetric syntheses of enantiopure C(5)-substituted transpentacins via diastereoselective Ireland-Claisen rearrangements","Chem.Commun.","2013","49","","7037","","10.1039/c3cc43250e","","","1.5418","CuKα","","0.0343","0.0325","","0.0833","0.0816","0.0833","","","","","","0.9942","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109566","25.0016","0.0005","6.6915","0.0001","12.9605","0.0002","90","","110.83","0.002","90","","2026.55","0.07","150","","150","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C16 H20 Cl3 F2 N O4 -","- C16 H20 Cl3 F2 N O4 -","- C64 H80 Cl12 F8 N4 O16 -","4","1","","Stephen G. Davies; Ai M. Fletcher; Paul M. Roberts; James E. Thomson; Charlotte M. Zammit","Asymmetric syntheses of enantiopure C(5)-substituted transpentacins via diastereoselective Ireland-Claisen rearrangements","Chem.Commun.","2013","49","","7037","","10.1039/c3cc43250e","","","1.5418","CuKα","","0.0326","0.0321","","0.0822","0.0817","0.0822","","","","","","0.908","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109567","5.515","0.0002","7.6423","0.0003","17.2563","0.0006","90","","90.531","0.003","90","","727.27","0.05","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 B F4 N O2 -","- C13 H18 B F4 N O2 -","- C26 H36 B2 F8 N2 O4 -","2","1","","Stephen G. Davies; Ai M. Fletcher; Paul M. Roberts; James E. Thomson; Charlotte M. Zammit","Asymmetric syntheses of enantiopure C(5)-substituted transpentacins via diastereoselective Ireland-Claisen rearrangements","Chem.Commun.","2013","49","","7037","","10.1039/c3cc43250e","","","1.5418","CuKα","","0.0362","0.0352","","0.0921","0.0912","0.0921","","","","","","1.0004","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109568","13.3382","0.0004","21.4986","0.0007","10.1527","0.0006","90","","95","0.001","90","","2900.2","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","cadmium sulfonyldibenzoate","","","- C14 H8 Cd O7.44 S -","- C14 H8 Cd O7.435 S -","- C112 H64 Cd8 O59.48 S8 -","8","1","","Anna M. Plonka; Debasis Banerjee; William R. Woerner; Zhijuan Zhang; Jing Li; John B. Parise","Effect of ligand geometry on selective gas-adsorption: the case of a microporous cadmium metal organic framework with a V-shaped linker","Chem.Commun.","2013","49","","7055","","10.1039/c3cc43299h","","","0.41328","","","0.062","0.0554","","","0.1606","0.1622","","","","","","1.215","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109569","10.4804","0.0004","13.7007","0.0005","14.5785","0.0005","75.368","0.001","76.086","0.001","70.713","0.001","1883.27","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H88 Cu4 N8 O24 -","- C68 H88 Cu4 N8 O24 -","- C68 H88 Cu4 N8 O24 -","1","0.5","","Biswajit Dey; Rajat Saha; Priyanka Mukherjee","A luminescent-water soluble inorganic co-crystal for a selective pico-molar range arsenic(III) sensor in water medium","Chem.Commun.","2013","49","","7064","","10.1039/c3cc43574a","","","0.71073","MoKα","","0.0957","0.0568","","","0.1559","0.1712","","","","","","0.921","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109570","7.4378","0.0008","14.0123","0.0016","18.702","0.002","90","","97.756","0.003","90","","1931.3","0.4","296","2","569.3","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl Ir N O2 -","- C22 H23 Cl Ir N O2 -","- C88 H92 Cl4 Ir4 N4 O8 -","4","1","","Jianjun Wu; Jonathan H. Barnard; Yi Zhang; Dinesh Talwar; Craig M. Robertson; Jianliang Xiao","Robust cyclometallated Ir(III) catalysts for the homogeneous hydrogenation of N-heterocycles under mild conditions","Chem.Commun.","2013","49","","7052","","10.1039/c3cc44567d","","","0.71073","MoKα","","0.0198","0.0167","","","0.0379","0.0394","","","","","","1.027","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109571","7.4023","0.0009","15.5707","0.0019","20.203","0.003","90","","100.426","0.002","90","","2290.1","0.5","296","2","569.3","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 Cl Ir N O3 -","- C26 H29 Cl Ir N O3 -","- C104 H116 Cl4 Ir4 N4 O12 -","4","1","","Jianjun Wu; Jonathan H. Barnard; Yi Zhang; Dinesh Talwar; Craig M. Robertson; Jianliang Xiao","Robust cyclometallated Ir(III) catalysts for the homogeneous hydrogenation of N-heterocycles under mild conditions","Chem.Commun.","2013","49","","7052","","10.1039/c3cc44567d","","","0.71073","MoKα","","0.057","0.0565","","","0.1378","0.138","","","","","","1.494","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109572","6.472","0.006","7.017","0.006","16.835","0.016","82.7","0.04","84.68","0.04","78.4","0.04","741.1","1.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","5,5'-Di(5''-tert-butyldimethylsilyl-2''-thienyl)- 3,3'-bi[thiophen-3(2H)-ylidene]-2,2'-dione","","- C28 H36 O2 S4 Si2 -","- C28 H36 O2 S4 Si2 -","- C28 H36 O2 S4 Si2 -","1","0.5","","Aiko Fukazawa; Makoto Adachi; Ken Nakakura; Shohei Saito; Shigehiro Yamaguchi","S-Pechmann dye: a thiolactone-containing organic dye with a pronounced electron-accepting character and its solid-state photophysical properties","Chem.Commun.","2013","49","","7117","","10.1039/c3cc41007b","","","0.7107","MoKα","","0.1956","0.1126","","","0.2762","0.3482","","","","","","1.028","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109573","34.4419","0.0013","16.7622","0.0008","18.4473","0.0008","90","","90","","90","","10650","0.8","123","2","123","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C158 H172 Br Cd3 N18 O31 Ti4 -","- C158 H172 Br Cd3 N18 O31 Ti4 -","- C316 H344 Br2 Cd6 N36 O62 Ti8 -","2","0.5","","Chengfeng Zhu; Xu Chen; Zhiwei Yang; Xia Du; Yan Liu; Yong Cui","Chiral microporous Ti(salan)-based metal-organic frameworks for asymmetric sulfoxidation","Chem.Commun.","2013","49","","7120","","10.1039/c3cc43225d","","","1.54178","CuKα","","0.1197","0.0794","","","0.1873","0.2054","","","","","","1.074","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109574","34.0597","0.0005","16.9014","0.0002","18.3315","0.0003","90","","90","","90","","10552.6","0.3","123","2","123","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C162 H180 N18 O30 Ti4 Zn3 -","- C162 H180 N18 O30 Ti4 Zn3 -","- C324 H360 N36 O60 Ti8 Zn6 -","2","0.5","","Chengfeng Zhu; Xu Chen; Zhiwei Yang; Xia Du; Yan Liu; Yong Cui","Chiral microporous Ti(salan)-based metal-organic frameworks for asymmetric sulfoxidation","Chem.Commun.","2013","49","","7120","","10.1039/c3cc43225d","","","1.54178","CuKα","","0.1145","0.0984","","","0.2573","0.2757","","","","","","1.084","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109575","13.158","0.003","13.945","0.003","16.183","0.003","97.3","0.03","90.51","0.03","94.38","0.03","2936.2","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H48 Ag3 F9 N16 O9 S3 -","- C51 H48 Ag3 F9 N16 O9 S3 -","- C102 H96 Ag6 F18 N32 O18 S6 -","2","1","","Xin He; Xiao-Bin; Xun Wang; Liang Zhao","Positive homotropic allosteric binding of silver(I) ions in multidentate azacalixpyridine macrocycles: effect on the formation and stabilization of silver nanoparticles","Chem.Commun.","2013","49","","7153","","10.1039/c3cc43415j","","","0.71073","MoKα","","0.1236","0.093","","","0.2104","0.2301","","","","","","1.105","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109576","13.1897","0.0007","13.7061","0.0008","20.5215","0.0011","94.475","0.004","90.36","0.004","104.014","0.005","3587.3","0.4","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H69 Ag3 F9 N18 O11.5 S3 -","- C63 H69 Ag3 F9 N18 O11.5 S3 -","- C126 H138 Ag6 F18 N36 O23 S6 -","2","1","","Xin He; Xiao-Bin; Xun Wang; Liang Zhao","Positive homotropic allosteric binding of silver(I) ions in multidentate azacalixpyridine macrocycles: effect on the formation and stabilization of silver nanoparticles","Chem.Commun.","2013","49","","7153","","10.1039/c3cc43415j","","","1.54184","CuKα","","0.0878","0.0627","","","0.152","0.1726","","","","","","1.023","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109577","9.92","0.0014","10.6423","0.0009","11.0407","0.0014","95.237","0.008","115.25","0.013","91.298","0.009","1047.4","0.2","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H30 N2 O3 -","- C23 H30 N2 O3 -","- C46 H60 N4 O6 -","2","1","","Dipak D. Vachhani; Marzia Galli; Jeroen Jacobs; Luc Van Meervelt; Erik V. Van der Eycken","Synthesis of (spiro)cyclopentapyridinones via Csp3-H functionalization: a post-Ugi gold-catalyzed regioselective tandem cyclization","Chem.Commun.","2013","49","","7171","","10.1039/c3cc43418d","","","0.7107","MoKα","","0.0673","0.0546","","","0.139","0.1505","","","","","","1.052","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109578","17.9131","0.0016","10.7282","0.001","15.6284","0.0014","90","","112.607","0.001","90","","2772.6","0.4","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H43 N2 O5 P Ru -","- C22 H39 N2 O3 P Ru -","- C88 H156 N8 O12 P4 Ru4 -","4","1","","Chelsea A. Huff; Jeff W. Kampf; Melanie S. Sanford","Reversible carbon-carbon bond formation between carbonyl compounds and a ruthenium pincer complex","Chem.Commun.","2013","49","","7147","","10.1039/c3cc43517b","","","0.71073","MoKα","","0.0233","0.0215","","","0.0552","0.056","","","","","","1.049","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109579","18.7853","0.0006","11.0118","0.0003","15.0703","0.0004","90","","102.438","0.001","90","","3044.27","0.15","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H51 N2 O3 P Ru -","- C30 H51 N2 O3 P Ru -","- C120 H204 N8 O12 P4 Ru4 -","4","1","","Chelsea A. Huff; Jeff W. Kampf; Melanie S. Sanford","Reversible carbon-carbon bond formation between carbonyl compounds and a ruthenium pincer complex","Chem.Commun.","2013","49","","7147","","10.1039/c3cc43517b","","","0.71073","MoKα","","0.0267","0.0235","","","0.063","0.066","","","","","","1.01","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109580","16.0967","0.0008","10.6978","0.0005","16.1908","0.0008","90","","108.578","0.001","90","","2642.8","0.2","85","2","85","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 N2 O2 P Ru -","- C27 H41 N2 O2 P Ru -","- C108 H164 N8 O8 P4 Ru4 -","4","1","","Chelsea A. Huff; Jeff W. Kampf; Melanie S. Sanford","Reversible carbon-carbon bond formation between carbonyl compounds and a ruthenium pincer complex","Chem.Commun.","2013","49","","7147","","10.1039/c3cc43517b","","","0.71073","MoKα","","0.0476","0.0301","","","0.066","0.0729","","","","","","1.017","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109581","11.3568","0.0003","14.7861","0.0004","15.7682","0.0004","90","","90","","90","","2647.84","0.12","85","2","85","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 N2 O2 P Ru -","- C27 H41 N2 O2 P Ru -","- C108 H164 N8 O8 P4 Ru4 -","4","1","","Chelsea A. Huff; Jeff W. Kampf; Melanie S. Sanford","Reversible carbon-carbon bond formation between carbonyl compounds and a ruthenium pincer complex","Chem.Commun.","2013","49","","7147","","10.1039/c3cc43517b","","","0.71073","MoKα","","0.0266","0.0236","","","0.0535","0.0553","","","","","","1.068","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109582","16.9664","0.001","20.9747","0.0007","21.9872","0.0009","90","","107.965","0.006","90","","7443","0.6","195.95","0.1","199.95","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C146 H204 Cl6 N16 Rh6 -","- C146 H204 Cl6 N16 Rh6 -","- C292 H408 Cl12 N32 Rh12 -","2","0.25","","Sergio Gonell; Roberto G. Alabau; Macarena Poyatos; Eduardo Peris","Unveiling the stereoelectronic properties of a triphenylene-based tris N-heterocyclic carbene","Chem.Commun.","2013","49","","7126","","10.1039/c3cc44109a","","","1.5418","CuKα","","0.0948","0.0711","","","0.2116","0.2281","","","","","","1.079","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109583","9.866","0.002","10.472","0.002","16.893","0.003","96.6","0.03","95.35","0.03","113.94","0.03","1565.7","0.7","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23.5 H48.5 N7.5 O5 S0.5 -","- C23.5 H48.5 N7.5 O5 S0.5 -","- C47 H97 N15 O10 S -","2","2","","Juliette Fremaux; Christel Dolain; Brice Kauffmann; Jonathan Clayden; Gilles Guichard","Influence of achiral units with gem-dimethyl substituents on the helical character of aliphatic oligourea foldamers","Chem.Commun.","2013","49","","7415","","10.1039/c3cc40961a","","","1.54178","CuKα","","0.1528","0.1196","","","0.3192","0.3634","","","","","","1.113","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109584","14.2758","0.0007","10.502","0.0007","39.927","0.003","90","","90.983","0.006","90","","5985.2","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H91 N15 O9.5 -","- C45 H91.5 N15 O9.5 -","- C180 H366 N60 O38 -","4","2","","Juliette Fremaux; Christel Dolain; Brice Kauffmann; Jonathan Clayden; Gilles Guichard","Influence of achiral units with gem-dimethyl substituents on the helical character of aliphatic oligourea foldamers","Chem.Commun.","2013","49","","7415","","10.1039/c3cc40961a","","","1.54187","CuKα","","0.1091","0.0459","","","0.0833","0.1012","","","","","","0.874","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109585","10.658","0.002","18.807","0.004","17.672","0.004","90","","106.39","0.03","90","","3398.3","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H101 N17 O12 -","- C50 H101 N17 O12 -","- C100 H202 N34 O24 -","2","1","","Juliette Fremaux; Christel Dolain; Brice Kauffmann; Jonathan Clayden; Gilles Guichard","Influence of achiral units with gem-dimethyl substituents on the helical character of aliphatic oligourea foldamers","Chem.Commun.","2013","49","","7415","","10.1039/c3cc40961a","","","1.54178","CuKα","","0.1028","0.0676","","","0.1834","0.218","","","","","","1.072","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7109586","15.339","0.003","15.385","0.003","15.538","0.003","116.11","0.03","115.59","0.03","95.97","0.03","2767","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H152 Cl0.5 Mn13 O54 P10 -","- C56 H120 Cl0.51 Mn13 O54 P10 -","- C56 H120 Cl0.51 Mn13 O54 P10 -","1","0.5","","Lei Zhang; Camelia I. Onet; Rodolphe Clerac; Mathieu Rouzieres; Bartosz Marzec; Markus Boese; Munuswamy Venkates; Wolfgang Schmitt","A facile 'bottom-up' approach to prepare free-standing nano-films based on manganese coordination clusters","Chem.Commun.","2013","49","","7400","","10.1039/c3cc42954g","","","0.71073","MoKα","","0.0754","0.0535","","","0.1356","0.1453","","","","","","1.072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109587","15.005","0.003","16.396","0.003","16.397","0.003","99.63","0.03","110.2","0.03","114.28","0.03","3218","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C82 H178.5 Cl2 Mn13 N2 O53.5 P10 -","- C82 H138 Cl2 Mn13 N2 O53.5 P10 -","- C82 H138 Cl2 Mn13 N2 O53.5 P10 -","1","0.5","","Lei Zhang; Camelia I. Onet; Rodolphe Clerac; Mathieu Rouzieres; Bartosz Marzec; Markus Boese; Munuswamy Venkates; Wolfgang Schmitt","A facile 'bottom-up' approach to prepare free-standing nano-films based on manganese coordination clusters","Chem.Commun.","2013","49","","7400","","10.1039/c3cc42954g","","","0.71073","MoKα","","0.0551","0.0445","","","0.1184","0.1252","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109588","13.042","0.004","7.3431","0.0013","13.093","0.002","90","","91.215","0.002","90","","1253.6","0.5","100","2","100","2","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C29 H20 Co N2 O3 P -","- C29 H20 Co N2 O3 P -","- C58 H40 Co2 N4 O6 P2 -","2","0.5","","Wenfeng Lo; Chunhua Hu; Marck Lumeij; Richard Dronskowski; Michael Lovihayeem; Oren Ishal; Jianfeng Jiang","[CoI(CN)2(CO)3]^-^, a new discovery from an 80-year-old reactio","Chem.Commun.","2013","49","","7382","","10.1039/c3cc43269f","","","0.71073","MoKα","","0.0465","0.0359","","","0.0527","0.0556","","","","","","0.993","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109589","9.7538","0.0003","11.1003","0.0003","21.8916","0.0006","96.435","0.001","95.479","0.001","108.432","0.001","2212.8","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H42 Co N3 O3 P2 -","- C53 H42 Co N3 O3 P2 -","- C106 H84 Co2 N6 O6 P4 -","2","1","","Wenfeng Lo; Chunhua Hu; Marck Lumeij; Richard Dronskowski; Michael Lovihayeem; Oren Ishal; Jianfeng Jiang","[CoI(CN)2(CO)3]^-^, a new discovery from an 80-year-old reactio","Chem.Commun.","2013","49","","7382","","10.1039/c3cc43269f","","","0.71073","MoKα","","0.0391","0.0308","","","0.0694","0.0737","","","","","","1.033","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109590","13.3567","0.0015","13.2668","0.0005","16.9665","0.0008","90","","104.554","0.008","90","","2910","0.4","208","2","208","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Cl Ir N2 O2 -","- C11 H16 Cl Ir N2 O2 -","- C88 H128 Cl8 Ir8 N16 O16 -","8","2","","Bram J. A. van Weerdenburg; Stefan Gloggler; Nan Eshuis; A. H. J. (Ton) Engwerda; Jan M. M. Smits; Rene de Gelder; Stephan Appelt; Sybren S. Wymenga; Marco Tessari; Martin C. Feiters; Bernhard Blumich; Floris P. J. T. Rutjes","Ligand effects of NHC-iridium catalysts for signal amplification by reversible exchange (SABRE)","Chem.Commun.","2013","49","","7388","","10.1039/c3cc43423k","","","0.71073","MoKα","","0.032","0.0211","","0.0473","0.0428","0.0473","","","1.07","","","1.07","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109591","12.653","0.003","10.3696","0.0006","11.3896","0.0015","90","","105.162","0.016","90","","1442.4","0.4","208","2","208","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 Cl Ir N2 O2 -","- C11 H18 Cl Ir N2 O2 -","- C44 H72 Cl4 Ir4 N8 O8 -","4","0.5","","Bram J. A. van Weerdenburg; Stefan Gloggler; Nan Eshuis; A. H. J. (Ton) Engwerda; Jan M. M. Smits; Rene de Gelder; Stephan Appelt; Sybren S. Wymenga; Marco Tessari; Martin C. Feiters; Bernhard Blumich; Floris P. J. T. Rutjes","Ligand effects of NHC-iridium catalysts for signal amplification by reversible exchange (SABRE)","Chem.Commun.","2013","49","","7388","","10.1039/c3cc43423k","","","0.71073","MoKα","","0.011","0.0101","","0.0258","0.0252","0.0258","","","1.111","","","1.111","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109592","16.5605","0.0003","6.6101","0.0001","16.8166","0.0003","90","","93.303","0.001","90","","1837.8","0.05","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 O6 -","- C20 H24 O6 -","- C80 H96 O24 -","4","1","","Markus B. Lauber; Constantin-Gabriel Daniliuc; Jan Paradies","Desymmetrization of 4,6-diprotected myo-inositol","Chem.Commun.","2013","49","","7409","","10.1039/c3cc43663b","","","0.71073","MoKα","","0.0759","0.0567","","","0.1184","0.1317","","","","","","1.063","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109593","21.6206","0.0004","11.0216","0.0002","23.9782","0.0005","90","","108.049","0.001","90","","5432.68","0.18","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C192 H320 O96 -","16","2","","Markus B. Lauber; Constantin-Gabriel Daniliuc; Jan Paradies","Desymmetrization of 4,6-diprotected myo-inositol","Chem.Commun.","2013","49","","7409","","10.1039/c3cc43663b","","","0.71073","MoKα","","0.1254","0.0841","","","0.1943","0.2275","","","","","","1.034","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109594","11.9744","0.0002","8.0367","0.0002","17.1372","0.0003","90","","108.858","0.001","90","","1560.67","0.05","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H35 Br O10 -","- C34 H35 Br O10 -","- C68 H70 Br2 O20 -","2","1","","Markus B. Lauber; Constantin-Gabriel Daniliuc; Jan Paradies","Desymmetrization of 4,6-diprotected myo-inositol","Chem.Commun.","2013","49","","7409","","10.1039/c3cc43663b","","","0.71073","MoKα","","0.0344","0.0315","","","0.0681","0.0708","","","","","","1.101","","","","has coordinates,has disorder","180199","2020-10-21","18:00:00",""
"7109595","37.755","0.019","13.781","0.007","29.867","0.013","90","","90","","90","","15540","13","90","2","90","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C27 H15 Cu O9 -","- C27 H15 Cu O9 -","- C216 H120 Cu8 O72 -","8","1","","Bappaditya Gole; Arun Kumar Bar; Arijit Mallick; Rahul Banerjee; Partha Sarathi Mukherjee","An electron rich porous extended framework as a heterogeneous catalyst for Diels-Alder reactions","Chem.Commun.","2013","49","","7439","","10.1039/c3cc43681k","","","0.71073","MoKα","","0.247","0.0718","","","0.1906","0.2558","","","","","","0.453","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7109596","10.0279","0.0001","10.4702","0.0001","13.2012","0.0001","90","","90","","90","","1386.05","0.02","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","R-Dianin's Compound","R-4-p-hydroxyphenyl-2,2,4-trimethylchroman","","- C18 H20 O2 -","- C18 H20 O2 -","- C72 H80 O8 -","4","1","","Christopher S. Frampton; Kamal A. Ketuly; A. Hamid A. Hadi; James H. Gall; David D. MacNicol","Engineering robust polar chiral clathrate crystals","Chem.Commun.","2013","49","","7198","","10.1039/c3cc43012j","","","1.54178","CuKα","","0.0255","0.0254","","","0.0684","0.0684","","","","","","1.007","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7109597","10.5486","0.0001","10.5395","0.0001","13.1045","0.0002","90","","90","","90","","1456.92","0.03","100","1","100","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","S-ThiaDianin's Compound","S-4-p-hydroxyphenyl-2,2,4-trimethylthiachroman","","- C18 H20 O S -","- C18 H20 O S -","- C72 H80 O4 S4 -","4","1","","Christopher S. Frampton; Kamal A. Ketuly; A. Hamid A. Hadi; James H. Gall; David D. MacNicol","Engineering robust polar chiral clathrate crystals","Chem.Commun.","2013","49","","7198","","10.1039/c3cc43012j","","","1.54178","CuKα","","0.0269","0.0259","","","0.07","0.0704","","","","","","1.006","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7109598","27.2258","0.0004","27.2258","0.0004","10.8365","0.0002","90","","90","","120","","6956.34","0.19","90","1","90","1","","","","","","","","4","R 3","R 3","146","S-Thiadianin's, R-Dianin's empty Quasiracemate","","","- C36 H40 O3 S -","- C36 H40 O3 S -","- C324 H360 O27 S9 -","9","","","Christopher S. Frampton; Kamal A. Ketuly; A. Hamid A. Hadi; James H. Gall; David D. MacNicol","Engineering robust polar chiral clathrate crystals","Chem.Commun.","2013","49","","7198","","10.1039/c3cc43012j","","","1.54178","CuKα","","0.0374","0.0352","","","0.0952","0.0975","","","","","","1.002","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7109599","27.3283","0.0004","27.3283","0.0004","10.8327","0.0003","90","","90","","120","","7006.4","0.2","100","1","100","1","","","","","","","","5","R 3","R 3","146","S-Thiadianin's, R-Dianin's CCl4,H2O Quasiracemate","","","- C109 H121 Cl4 O9.5 S3 -","- C109 H120 Cl4 O9.5 S3 -","- C327 H360 Cl12 O28.5 S9 -","3","","","Christopher S. Frampton; Kamal A. Ketuly; A. Hamid A. Hadi; James H. Gall; David D. MacNicol","Engineering robust polar chiral clathrate crystals","Chem.Commun.","2013","49","","7198","","10.1039/c3cc43012j","","","1.54178","CuKα","","0.0332","0.0323","","","0.098","0.1037","","","","","","1.001","","","","has coordinates,has disorder","198233","2020-10-21","18:00:00",""
"7109600","27.2258","0.0004","27.2258","0.0004","10.8365","0.0002","90","","90","","120","","6956.34","0.19","90","1","90","1","","","","","","","","4","R 3","R 3","146","S-Thiadianin's, R-Dianin's empty Quasiracemate","","","- C36 H40 O3 S -","- C36 H40 O3 S -","- C324 H360 O27 S9 -","9","","","Christopher S. Frampton; Kamal A. Ketuly; A. Hamid A. Hadi; James H. Gall; David D. MacNicol","Engineering robust polar chiral clathrate crystals","Chem.Commun.","2013","49","","7198","","10.1039/c3cc43012j","","","1.54178","CuKα","","0.0319","0.0298","","","0.0761","0.0777","","","","","","1.006","","","","has coordinates","198233","2020-10-21","18:00:00",""
"7109601","7.5687","0.0003","16.92","0.0005","9.6449","0.0004","90","","109.885","0.004","90","","1161.51","0.08","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 -","- C15 H16 -","- C60 H64 -","4","1","","Sin Ting Li; Tobias Schnabel; Sergej Lysenko; Kai Brandhorst; Matthias Tamm","Synthesis of unsymmetrical 1,3-diynes via alkyne cross-metathesis","Chem.Commun.","2013","49","","7189","","10.1039/c3cc43108h","","","1.54184","CuKα","","0.0397","0.0377","","","0.1066","0.1088","","","","","","1.077","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109602","10.4675","0.0007","12.2615","0.0008","19.3299","0.0011","90","","90","","90","","2480.9","0.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","DDJS-52","","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","1","","Animesh Sahana; Arnab Banerjee; Sisir Lohar; Sukanya Panja; Subhra Kanti Mukhopadhyay; Jesus Sanmartin Matalobos; Debasis Das","Fluorescence sensing of arsenate at nanomolar level in a greener way: naphthalene based probe for living cell imaging","Chem.Commun.","2013","49","","7231","","10.1039/c3cc43211d","","x-ray","0.71073","MoKα","","0.0671","0.0453","","","0.1101","0.1213","","","","","","1.063","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109603","18.169","0.0003","35.2816","0.0006","23.4175","0.0004","90","","98.6191","0.0006","90","","14841.8","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76.5 H78 B3 Cl3 F12 N6 O -","- C76.5 H78 B3 Cl3 F12 N6 O -","- C612 H624 B24 Cl24 F96 N48 O8 -","8","2","","Yun-Ting Wang; Meng-Ting Chang; Gene-Hsiang Lee; Shie-Ming Peng; Ching-Wen Chiu","Planar tris-N-heterocyclic carbenes","Chem.Commun.","2013","49","","7258","","10.1039/c3cc43278e","","","0.71073","MoKα","","0.2059","0.1369","","","0.3159","0.3466","","","","","","1.009","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109604","8.4291","0.0003","33.6359","0.0011","11.6153","0.0003","90","","93.9449","0.001","90","","3285.37","0.18","150","2","150","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C75 H90 N6 -","- C75 H90 N6 -","- C150 H180 N12 -","2","0.5","","Yun-Ting Wang; Meng-Ting Chang; Gene-Hsiang Lee; Shie-Ming Peng; Ching-Wen Chiu","Planar tris-N-heterocyclic carbenes","Chem.Commun.","2013","49","","7258","","10.1039/c3cc43278e","","","0.71073","MoKα","","0.0843","0.0449","","","0.1145","0.1411","","","","","","1.062","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109605","12.7469","0.0004","13.1572","0.0004","16.3788","0.0006","97.98","0.002","96.687","0.002","100.337","0.002","2647.87","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H65 Au3 Cl3 N6 O0.5 -","- C47 H65 Au3 Cl3 N6 O0.5 -","- C94 H130 Au6 Cl6 N12 O -","2","1","","Yun-Ting Wang; Meng-Ting Chang; Gene-Hsiang Lee; Shie-Ming Peng; Ching-Wen Chiu","Planar tris-N-heterocyclic carbenes","Chem.Commun.","2013","49","","7258","","10.1039/c3cc43278e","","","0.71073","MoKα","","0.1089","0.0703","","","0.198","0.2299","","","","","","1.05","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109606","11.4213","0.0005","13.1929","0.0004","17.273","0.0005","90","","90","","90","","2602.7","0.16","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Br N3 O3 -","- C30 H24 Br N3 O3 -","- C120 H96 Br4 N12 O12 -","4","1","","Li Tian; Xiu-Qin Hu; Yun-Han Li; Peng-Fei Xu","Organocatalytic asymmetric multicomponent cascade reaction via 1,3-proton shift and [3+2] cycloaddition: an efficient strategy for the synthesis of oxindole derivatives","Chem.Commun.","2013","49","","7213","","10.1039/c3cc43755h","","","0.7107","MoKα","","0.1025","0.053","","","0.0731","0.0883","","","","","","1.025","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109607","7.6353","0.0003","10.3601","0.0003","17.3511","0.0006","92.597","0.001","100.655","0.001","109.129","0.001","1266.06","0.08","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 Br N4 -","- C29 H31 Br N4 -","- C58 H62 Br2 N8 -","2","1","","Biljana Bozic-Weber; Edwin C. Constable; Sebastian O. Furer; Catherine E. Housecroft; Lukas J. Troxler; Jennifer A. Zampese","Copper(I) dye-sensitized solar cells with [Co(bpy)3]2+/3+ electrolyte","Chem.Commun.","2013","49","","7222","","10.1039/c3cc44595j","","","1.54178","CuKα","","0.0304","0.0299","","","0.0788","0.0792","","","","","","1.064","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109608","16.6211","0.0003","16.6211","0.0003","77.743","0.003","90","","90","","120","","18599.9","0.9","150","2","150","2","","","","","","","","7","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C88 H150 Cr7 F8 N3 Ni O32 -","- C88 H150 Cr7 F8 N3 Ni O32 -","- C528 H900 Cr42 F48 N18 Ni6 O192 -","6","0.5","","George F. S. Whitehead; Bryony Cross; Laura Carthy; Victoria A. Milway; Harapriya Rath; Antonio Fernandez; Sarah L. Heath; Christopher A. Muryn; Robin G. Pritchard; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Rings and threads as linkers in metal-organic frameworks and poly-rotaxanes","Chem.Commun.","2013","49","","7195","","10.1039/c3cc42300j","","","0.6933","synchrotron","","0.0878","0.0737","","","0.2","0.211","","","","","","1.036","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109609","25.1317","0.0007","16.6128","0.0004","30.975","0.0009","90","","109.473","0.002","90","","12192.6","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H150 Cr7 F8 N3 Ni O32 -","- C88 H150 Cr7 F8 N3 Ni O32 -","- C352 H600 Cr28 F32 N12 Ni4 O128 -","4","1","","George F. S. Whitehead; Bryony Cross; Laura Carthy; Victoria A. Milway; Harapriya Rath; Antonio Fernandez; Sarah L. Heath; Christopher A. Muryn; Robin G. Pritchard; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Rings and threads as linkers in metal-organic frameworks and poly-rotaxanes","Chem.Commun.","2013","49","","7195","","10.1039/c3cc42300j","","","0.7749","synchrotron","","0.11","0.0892","","","0.2693","0.2978","","","","","","1.024","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109610","16.9352","0.0006","29.4007","0.0011","29.414","0.0013","90","","90.834","0.003","90","","14643.9","1","90","2","90","2","","","","","","","synthesis as described","8","P 1 21/n 1","-P 2yn","14","","","","- C205 H340 Cr14 Cu2 F16 N10 Ni2 O78 -","- C205 H340 Cr14 Cu2 F16 N10 Ni2 O78 -","- C410 H680 Cr28 Cu4 F32 N20 Ni4 O156 -","2","0.5","","George F. S. Whitehead; Bryony Cross; Laura Carthy; Victoria A. Milway; Harapriya Rath; Antonio Fernandez; Sarah L. Heath; Christopher A. Muryn; Robin G. Pritchard; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Rings and threads as linkers in metal-organic frameworks and poly-rotaxanes","Chem.Commun.","2013","49","","7195","","10.1039/c3cc42300j","","x-ray","0.7749","synchrotron","","0.1231","0.1063","","","0.2425","0.2526","","","","","","1.107","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109611","30.6539","0.0011","16.5114","0.0005","35.97","0.0011","90","","111.244","0.002","90","","16968.7","1","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C108 H184 Cr7 Cu2 F8 N3 Ni O40 -","- C108 H184 Cr7 Cu2 F8 N3 Ni O40 -","- C432 H736 Cr28 Cu8 F32 N12 Ni4 O160 -","4","1","","George F. S. Whitehead; Bryony Cross; Laura Carthy; Victoria A. Milway; Harapriya Rath; Antonio Fernandez; Sarah L. Heath; Christopher A. Muryn; Robin G. Pritchard; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Rings and threads as linkers in metal-organic frameworks and poly-rotaxanes","Chem.Commun.","2013","49","","7195","","10.1039/c3cc42300j","","","0.7749","synchrotron","","0.1575","0.119","","","0.3452","0.372","","","","","","1.531","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109612","16.181","0.0004","28.3116","0.0006","33.5398","0.0007","96.992","0.002","102.583","0.002","93.852","0.002","14814.6","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C376 H600 Cr28 Cu3 F32 N30 Ni4 O148 -","- C376 H600 Cr28 Cu3 F32 N30 Ni4 O148 -","- C376 H600 Cr28 Cu3 F32 N30 Ni4 O148 -","1","0.5","","George F. S. Whitehead; Bryony Cross; Laura Carthy; Victoria A. Milway; Harapriya Rath; Antonio Fernandez; Sarah L. Heath; Christopher A. Muryn; Robin G. Pritchard; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Rings and threads as linkers in metal-organic frameworks and poly-rotaxanes","Chem.Commun.","2013","49","","7195","","10.1039/c3cc42300j","","","0.6889","synchrotron","","0.1154","0.1","","","0.3133","0.3434","","","","","","1.321","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109613","21.256","0.0013","29.816","0.003","23.074","0.002","90","","98.865","0.002","90","","14449","2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Compound X","","","- C98 H170 Cr7 F8 N2 Ni O32 -","- C98 H170 Cr7 F8 N2 Ni O32 -","- C392 H680 Cr28 F32 N8 Ni4 O128 -","4","1","","George F. S. Whitehead; Bryony Cross; Laura Carthy; Victoria A. Milway; Harapriya Rath; Antonio Fernandez; Sarah L. Heath; Christopher A. Muryn; Robin G. Pritchard; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Rings and threads as linkers in metal-organic frameworks and poly-rotaxanes","Chem.Commun.","2013","49","","7195","","10.1039/c3cc42300j","","","0.71073","MoKα","","0.2673","0.1991","","","0.4917","0.5326","","","","","","1.842","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109614","17.015","0.002","28.096","0.003","32.391","0.004","70.065","0.01","87.592","0.01","81.189","0.01","14384","3","100","2","","","","","","","","","","8","P -1","-P 1","2","","","","- C101 H180 Cr7 Cu F8 N2 Ni O36 -","- C101 H180 Cr7.04 Cu F8 N2 Ni1.04 O36 -","- C404 H720 Cr28.16 Cu4 F32 N8 Ni4.16 O144 -","4","2","","George F. S. Whitehead; Bryony Cross; Laura Carthy; Victoria A. Milway; Harapriya Rath; Antonio Fernandez; Sarah L. Heath; Christopher A. Muryn; Robin G. Pritchard; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Rings and threads as linkers in metal-organic frameworks and poly-rotaxanes","Chem.Commun.","2013","49","","7195","","10.1039/c3cc42300j","","","0.6889","synchrotron","","0.1992","0.1238","","","0.2889","0.3381","","","","","","1.091","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109615","49.322","0.002","19.456","0.0009","30.1093","0.0015","90","","93.963","0.003","90","","28824","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C222 H357 Cr14 Cu F28 N4 Ni2 O68 -","- C222 H357 Cr14.08 Cu F28 N4 Ni2.08 O68 -","- C888 H1428 Cr56.32 Cu4 F112 N16 Ni8.32 O272 -","4","1","","George F. S. Whitehead; Bryony Cross; Laura Carthy; Victoria A. Milway; Harapriya Rath; Antonio Fernandez; Sarah L. Heath; Christopher A. Muryn; Robin G. Pritchard; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Rings and threads as linkers in metal-organic frameworks and poly-rotaxanes","Chem.Commun.","2013","49","","7195","","10.1039/c3cc42300j","","","1.54178","CuKα","","0.1749","0.106","","","0.2478","0.2909","","","","","","1.01","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109616","16.8905","0.0005","26.6323","0.0009","34.0471","0.0014","90","","95.733","0.003","90","","15238.9","0.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C112 H184 Cr7 Cu F20 N2 Ni O39 -","- C112 H180 Cr7.04 Cu F20 N2 Ni1.04 O39 -","- C448 H720 Cr28.16 Cu4 F80 N8 Ni4.16 O156 -","4","1","","George F. S. Whitehead; Bryony Cross; Laura Carthy; Victoria A. Milway; Harapriya Rath; Antonio Fernandez; Sarah L. Heath; Christopher A. Muryn; Robin G. Pritchard; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny","Rings and threads as linkers in metal-organic frameworks and poly-rotaxanes","Chem.Commun.","2013","49","","7195","","10.1039/c3cc42300j","","","1.54178","CuKα","","0.141","0.1003","","","0.2528","0.2805","","","","","","1.088","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109617","8.6775","0.0018","18.791","0.004","7.5798","0.0016","90","","93.79","0.003","90","","1233.3","0.4","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Dingyuan Zhang; Qian Zhang; Ning Zhang; Rui Zhang; Yongjiu Liang; Dewen Dong","Formal [4+1] annulation of alpha,alpha-dialkyl beta-oxo amides and dimethylsulfoxonium methylide: a synthetic route to beta-hydroxy-gamma-lactams","Chem.Commun.","2013","49","","7358","","10.1039/c3cc43317j","","","0.71073","MoKα","","0.0784","0.0543","","","0.1197","0.1312","","","","","","1.034","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109618","22.59","0.005","6.6126","0.0016","19.413","0.005","90","","122.398","0.003","90","","2448.5","1","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C104 H136 N8 O16 -","8","1","","Dingyuan Zhang; Qian Zhang; Ning Zhang; Rui Zhang; Yongjiu Liang; Dewen Dong","Formal [4+1] annulation of alpha,alpha-dialkyl beta-oxo amides and dimethylsulfoxonium methylide: a synthetic route to beta-hydroxy-gamma-lactams","Chem.Commun.","2013","49","","7358","","10.1039/c3cc43317j","","","0.71073","MoKα","","0.0744","0.0508","","","0.1129","0.1264","","","","","","1.036","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109619","13.893","0.006","10.823","0.005","10.819","0.005","90","","106.183","0.006","90","","1562.3","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","","Sanjoy Mukherjee; Pakkirisamy Thilagar","Molecular flexibility tuned emission in 'V' shaped naphthalimides: Hg(II) detection and aggregation-induced emission enhancement (AIEE)","Chem.Commun.","2013","49","","7292","","10.1039/c3cc43351j","","","0.71073","MoKα","","0.0589","0.0458","","","0.1216","0.1327","","","","","","1.014","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109620","8.6529","0.0007","8.6955","0.0007","15.3316","0.0012","87.905","0.002","76.192","0.002","87.453","0.002","1118.73","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H25 N O3 S2 -","- C25 H25 N O3 S2 -","- C50 H50 N2 O6 S4 -","2","1","","Sanjoy Mukherjee; Pakkirisamy Thilagar","Molecular flexibility tuned emission in 'V' shaped naphthalimides: Hg(II) detection and aggregation-induced emission enhancement (AIEE)","Chem.Commun.","2013","49","","7292","","10.1039/c3cc43351j","","","0.71073","MoKα","","0.1508","0.0654","","","0.1577","0.1947","","","","","","1.031","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109621","7.8822","0.0006","46.059","0.003","9.9726","0.0008","90","","94.567","0.002","90","","3609","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H34 N2 O S -","- C49 H34 N2 O S -","- C196 H136 N8 O4 S4 -","4","1","","Li Ding; Zhiyun Zhang; Xin Li; Jianhua Su","Highly sensitive determination of low-level water content in organic solvents using novel solvatochromic dyes based on thioxanthone","Chem.Commun.","2013","49","","7319","","10.1039/c3cc43608j","","","0.71073","MoKα","","0.0959","0.0662","","","0.1523","0.1663","","","","","","1.097","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109622","8.8384","0.0014","18.101","0.003","17.418","0.003","90","","92.577","0.004","90","","2783.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 N2 O S -","- C37 H26 N2 O S -","- C148 H104 N8 O4 S4 -","4","1","","Li Ding; Zhiyun Zhang; Xin Li; Jianhua Su","Highly sensitive determination of low-level water content in organic solvents using novel solvatochromic dyes based on thioxanthone","Chem.Commun.","2013","49","","7319","","10.1039/c3cc43608j","","","0.71073","MoKα","","0.1388","0.1","","","0.1798","0.1932","","","","","","1.269","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109623","12.639","0.002","10.4737","0.0016","18.814","0.003","90","","90.117","0.007","90","","2490.5","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H32 N4 O7 -","- C22 H32 N4 O7 -","- C88 H128 N16 O28 -","4","2","","Bahiru P. Benke; Nandita Madhavan","Active ion transporters from readily accessible acyclic octapeptides containing 3-aminobenzoic acid and alanine","Chem.Commun.","2013","49","","7340","","10.1039/c3cc44224a","","","0.71073","MoKα","","0.2144","0.0836","","","0.1678","0.2396","","","","","","0.893","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109624","9.543","0.0002","13.0225","0.0004","14.6643","0.0004","110.296","0.002","99.499","0.002","106.251","0.002","1569.89","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H98 P4 Sn2 -","- C60 H98 P4 Sn2 -","- C60 H98 P4 Sn2 -","1","0.5","","Ivana Jevtovikj; Peter Lonnecke; Evamarie Hey-Hawkins","1,2,3,4-Tetramesityl-1,4-bis(tri-n-butyltin)tetraphosphane: synthesis and molecular structure","Chem.Commun.","2013","49","","7355","","10.1039/c3cc44571b","","","0.71073","MoKα","","0.0349","0.0259","","","0.0651","0.0671","","","","","","0.993","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109625","4.94427","0.00005","9.9334","0.0001","16.769","0.0001","90","","90.574","0.001","90","","823.541","0.013","110","","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4,4'-bis(perfluorophenyl)-2,2'-bithiazole","","","- C18 H2 F10 N2 S2 -","- C18 H2 F10 N2 S2 -","- C36 H4 F20 N4 S4 -","2","0.5","","Mysore S. Pavan; Karothu Durga Prasad; T. N. Guru Row","Halogen bonding in fluorine: experimental charge density study on intermolecular FF and FS donor-acceptor contacts","Chem.Commun.","2013","49","","7558","","10.1039/c3cc43513j","","x-ray","0.7107","MoKα","","0.025","0.019","","","","0.03","","","","","","1.225","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109626","8.9924","0.0005","17.9529","0.001","15.1993","0.0008","90","","116.317","0.003","90","","2199.4","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-dibromo-1,4-phenylenebis((1-pyrenyl)maleate)","","","- C54 H40 Br2 O8 -","- C54 H40 Br2 O8 -","- C108 H80 Br4 O16 -","2","0.5","","Parantap Sarkar; Fabien Durola; Harald Bock","Dipyreno- and diperyleno-anthracenes from glyoxylic Perkin reactions","Chem.Commun.","2013","49","","7552","","10.1039/c3cc44044c","","","0.71073","MoKα","","0.0721","0.0362","","","0.0786","0.0914","","","","","","1.035","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109627","9.0107","0.0005","11.3802","0.0006","16.2396","0.0008","96.906","0.001","96.184","0.001","106.044","0.001","1571.36","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H57 B O3 Os P2 S -","- C25 H57 B O3 Os P2 S -","- C50 H114 B2 O6 Os2 P4 S2 -","2","1","","Miguel A. Esteruelas; Ana M. Lopez; Malka Mora; Enrique Onate","B-H activation and H-H formation: two consecutive heterolytic processes on an osmium-hydrogensulfide bond","Chem.Commun.","2013","49","","7543","","10.1039/c3cc44102d","","","0.71073","MoKα","","0.0272","0.0239","","","0.0519","0.054","","","","","","1.056","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109628","11.5073","0.0005","20.3829","0.0009","27.0237","0.0012","90","","90","","90","","6338.5","0.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H59 B O Os P2 S -","- C27 H59 B O Os P2 S -","- C216 H472 B8 O8 Os8 P16 S8 -","8","1","","Miguel A. Esteruelas; Ana M. Lopez; Malka Mora; Enrique Onate","B-H activation and H-H formation: two consecutive heterolytic processes on an osmium-hydrogensulfide bond","Chem.Commun.","2013","49","","7543","","10.1039/c3cc44102d","","","0.71073","MoKα","","0.0318","0.0219","","","0.0495","0.0533","","","","","","1.034","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109629","16.2977","0.0007","10.959","0.0005","16.8715","0.0007","90","","106.119","0.001","90","","2894.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 B O3 Os P2 S -","- C25 H47 B O3 Os P2 S -","- C100 H188 B4 O12 Os4 P8 S4 -","4","1","","Miguel A. Esteruelas; Ana M. Lopez; Malka Mora; Enrique Onate","B-H activation and H-H formation: two consecutive heterolytic processes on an osmium-hydrogensulfide bond","Chem.Commun.","2013","49","","7543","","10.1039/c3cc44102d","","","0.71073","MoKα","","0.0305","0.0237","","","0.0531","0.0562","","","","","","0.988","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109630","12.2119","0.0003","14.9841","0.0003","15.3037","0.0003","63.927","0.001","73.114","0.001","69.089","0.001","2319.71","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H49 Cl3 N6 O6 -","- C46 H49 Cl3 N6 O6 -","- C92 H98 Cl6 N12 O12 -","2","1","","Ruoshi Li; Gregory M. Ferrence; Timothy D. Lash","Synthesis of a neo-confused porphyrin and an unusual dihydroporphyrin derivative","Chem.Commun.","2013","49","","7537","","10.1039/c3cc44248a","","","0.71073","MoKα","","0.0621","0.0542","","","","0.1564","","","","","","1.077","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109631","12.3883","0.0014","10.028","0.0011","13.062","0.0015","90","","93.014","0.002","90","","1620.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 F2 O2 P -","- C20 H15 F2 O2 P -","- C80 H60 F8 O8 P4 -","4","1","","Jian Zheng; Ji Cai; Jin-Hong Lin; Yong Guo; Ji-Chang Xiao","Synthesis and decarboxylative Wittig reaction of difluoromethylene phosphobetaine","Chem.Commun.","2013","49","","7513","","10.1039/c3cc44271c","","","0.71073","MoKα","","0.0596","0.0438","","","0.1117","0.1205","","","","","","1.064","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109632","15.652","0.009","8.153","0.005","16.18","0.01","90","","94.451","0.01","90","","2059","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cl2 N O Pd Se2 -","- C17 H19 Cl2 N O Pd Se2 -","- C68 H76 Cl8 N4 O4 Pd4 Se8 -","4","1","","Hemant Joshi; Kamal Nayan Sharma; Alpesh K. Sharma; Om Prakash; Ajai Kumar Singh","Graphene oxide grafted with Pd17Se15 nano-particles generated from a single source precursor as a recyclable and efficient catalyst for C-O coupling in O-arylation at room temperature","Chem.Commun.","2013","49","","7483","","10.1039/c3cc42608d","","","0.71073","MoKα","","0.0784","0.0524","","","0.121","0.1344","","","","","","0.93","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109633","9.405","0.0012","9.9217","0.0012","10.9244","0.0014","90","","113.544","0.002","90","","934.5","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H23 F3 N O3 S -","- C14 H24 F3 N O3 S -","- C28 H48 F6 N2 O6 S2 -","2","1","","Yingle Liu; Jiawang Liu; Yangen Huang; Feng-Ling Qing","Lewis acid-catalyzed regioselective synthesis of chiral alpha-fluoroalkyl amines via asymmetric addition of silyl dienolates to fluorinated sulfinylimines","Chem.Commun.","2013","49","","7492","","10.1039/c3cc43741h","","","0.71073","MoKα","","0.0444","0.0411","","","0.1121","0.1153","","","","","","1.04","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109634","9.2446","0.0014","9.5342","0.0014","9.3529","0.0014","90","","113.44","0.002","90","","756.3","0.2","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H21 F2 N O3 S -","- C12 H21 F2 N O3 S -","- C24 H42 F4 N2 O6 S2 -","2","1","","Yingle Liu; Jiawang Liu; Yangen Huang; Feng-Ling Qing","Lewis acid-catalyzed regioselective synthesis of chiral alpha-fluoroalkyl amines via asymmetric addition of silyl dienolates to fluorinated sulfinylimines","Chem.Commun.","2013","49","","7492","","10.1039/c3cc43741h","","","0.71073","MoKα","","0.0378","0.0354","","","0.0947","0.097","","","","","","1.057","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109635","8.331","0.003","9.435","0.004","9.034","0.004","90","","110.722","0.007","90","","664.2","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H14 F3 N O3 S -","- C10 H14 F3 N O3 S -","- C20 H28 F6 N2 O6 S2 -","2","1","","Yingle Liu; Jiawang Liu; Yangen Huang; Feng-Ling Qing","Lewis acid-catalyzed regioselective synthesis of chiral alpha-fluoroalkyl amines via asymmetric addition of silyl dienolates to fluorinated sulfinylimines","Chem.Commun.","2013","49","","7492","","10.1039/c3cc43741h","","","0.71073","MoKα","","0.0331","0.0323","","","0.0839","0.085","","","","","","1.042","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109636","11.96","0.003","10.526","0.002","15.425","0.004","90","","101.368","0.002","90","","1903.8","0.8","150","2","150","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C9 H14 O5 -","- C9 H14 O5 -","- C72 H112 O40 -","8","1","","Awais Ahmed; Steven D. R. Christie; Mark R. J. Elsegood; Gareth J. Pritchard","A mild Lewis acid mediated epoxy-ester to bicyclic ortho ester rearrangement","Chem.Commun.","2013","49","","7489","","10.1039/c3cc44364g","","","0.71073","MoKα","","0.0587","0.0438","","","0.1214","0.1321","","","","","","1.058","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109637","13.8312","0.0016","7.8846","0.0009","17.82","0.002","90","","98.3668","0.0018","90","","1922.6","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 O5 -","- C9 H14 O5 -","- C72 H112 O40 -","8","2","","Awais Ahmed; Steven D. R. Christie; Mark R. J. Elsegood; Gareth J. Pritchard","A mild Lewis acid mediated epoxy-ester to bicyclic ortho ester rearrangement","Chem.Commun.","2013","49","","7489","","10.1039/c3cc44364g","","","0.71073","MoKα","","0.0564","0.0418","","","0.1075","0.1176","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109638","13.2706","0.0009","7.5565","0.0005","17.6919","0.0013","90","","109.897","0.001","90","","1668.2","0.2","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C72 H96 O20 -","4","1","","Awais Ahmed; Steven D. R. Christie; Mark R. J. Elsegood; Gareth J. Pritchard","A mild Lewis acid mediated epoxy-ester to bicyclic ortho ester rearrangement","Chem.Commun.","2013","49","","7489","","10.1039/c3cc44364g","","","0.71073","MoKα","","0.0424","0.0359","","","0.0906","0.0946","","","","","","1.052","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109639","8.6092","0.001","13.784","0.0015","13.9589","0.0015","90","","90","","90","","1656.5","0.3","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C72 H96 O20 -","4","1","","Awais Ahmed; Steven D. R. Christie; Mark R. J. Elsegood; Gareth J. Pritchard","A mild Lewis acid mediated epoxy-ester to bicyclic ortho ester rearrangement","Chem.Commun.","2013","49","","7489","","10.1039/c3cc44364g","","","0.71073","MoKα","","0.0334","0.0278","","","0.0698","0.0738","","","","","","1.058","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109640","7.5478","0.0011","9.9201","0.0014","13.996","0.002","90","","100.024","0.01","90","","1032","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H30 N2 O3 -","- C22 H30 N2 O3 -","- C44 H60 N4 O6 -","2","1","","John D. Knight; Don M. Coltart","Asymmetric anti-aldol addition of achiral ketones via chiral N-amino cyclic carbamate hydrazones","Chem.Commun.","2013","49","","7495","","10.1039/c3cc44716b","","","0.71073","MoKα","","0.0759","0.0443","","","0.0983","0.1127","","","","","","1.027","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109641","6.915","0.0004","12.5529","0.0008","24.5201","0.0014","90","","90","","90","","2128.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 N2 O3 -","- C22 H30 N2 O3 -","- C88 H120 N8 O12 -","4","1","","John D. Knight; Don M. Coltart","Asymmetric anti-aldol addition of achiral ketones via chiral N-amino cyclic carbamate hydrazones","Chem.Commun.","2013","49","","7495","","10.1039/c3cc44716b","","","0.71073","MoKα","","0.0518","0.0391","","","0.099","0.1087","","","","","","1.054","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109642","8.7253","0.0006","9.1928","0.0006","12.6864","0.0008","98.872","0.005","100.538","0.005","109.715","0.005","915.78","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Aqua-bis(4,5-diamide-2-methoxy-imidazolato)-zinc(ii) dihydrate","Aqua-bis(4,5-diamide-2-methoxy-imidazolato)-zinc(II) dihydrate","","- C12 H20 N8 O9 Zn -","- C12 H20 N8 O9 Zn -","- C24 H40 N16 O18 Zn2 -","2","1","","Suvendu Sekhar Mondal; Asamanjoy Bhunia; Igor A. Baburin; Christian Jager; Alexandra Kelling; Uwe Schilde; Gotthard Seifert; Christoph Janiak; Hans-Jurgen Holdt","Gate effects in a hexagonal zinc-imidazolate-4-amide-5-imidate framework with flexible methoxy substituents and CO2 selectivity","Chem.Commun.","2013","49","","7599","","10.1039/c3cc42156b","","","0.71073","MoKα","","0.0222","0.021","","","0.0595","0.0601","","","","","","1.064","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109643","21.75","0.016","12.337","0.009","15.479","0.012","90","","94.824","0.015","90","","4139","5","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C37 H64 B2 Fe N O3 P Pt Si2 -","- C37 H64 B2 Fe N O3 P Pt Si2 -","- C148 H256 B8 Fe4 N4 O12 P4 Pt4 Si8 -","4","1","","Holger Braunschweig; Qing Ye; Alexander Damme; Krzysztof Radacki","Synthesis and structure of the first heterodinuclear bis(borylene) complexes","Chem.Commun.","2013","49","","7593","","10.1039/c3cc43877e","","","0.71073","MoKα","","0.037","0.0267","","","0.0531","0.0567","","","","","","1.012","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109644","9.4922","0.0006","11.7168","0.0007","20.703","0.0013","78.249","0.002","81.135","0.002","76.416","0.002","2177.5","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C38 H63 B2 Fe N O4 P Pt Si2 -","- C38 H63 B2 Fe N O4 P Pt Si2 -","- C76 H126 B4 Fe2 N2 O8 P2 Pt2 Si4 -","2","1","","Holger Braunschweig; Qing Ye; Alexander Damme; Krzysztof Radacki","Synthesis and structure of the first heterodinuclear bis(borylene) complexes","Chem.Commun.","2013","49","","7593","","10.1039/c3cc43877e","","","0.71073","MoKα","","0.0629","0.0423","","","0.0767","0.0814","","","","","","0.964","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109645","6.3443","0.0008","18.518","0.002","19.686","0.002","90","","90","","90","","2312.8","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 O3 -","- C28 H30 O3 -","- C112 H120 O12 -","4","1","","Manolis D. Tzirakis; Nicolas Marion; W. Bernd Schweizer; Francois Diederich","A shape-persistent alleno-acetylenic macrocycle with a modifiable periphery: synthesis, chiroptical properties and H-bond-driven self-assembly into a homochiral columnar structure","Chem.Commun.","2013","49","","7605","","10.1039/c3cc44101f","","","1.54178","CuKα","","0.0603","0.0482","","","0.107","0.1121","","","","","","1.143","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109646","27.93","0.003","8.977","0.0009","20.9383","0.0015","90","","111.19","0.006","90","","4894.9","0.8","100","","99.99","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C108 H106 Cl2 O8 -","- C108 H106 Cl2 O8 -","- C216 H212 Cl4 O16 -","2","0.5","","Manolis D. Tzirakis; Nicolas Marion; W. Bernd Schweizer; Francois Diederich","A shape-persistent alleno-acetylenic macrocycle with a modifiable periphery: synthesis, chiroptical properties and H-bond-driven self-assembly into a homochiral columnar structure","Chem.Commun.","2013","49","","7605","","10.1039/c3cc44101f","","","1.54178","CuKα","","0.1131","0.1055","","","0.2781","0.2893","","","","","","1.408","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109647","18.012","0.002","18.012","0.002","20.474","0.002","90","","90","","90","","6642.4","1.2","298","","298","","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C26 H42 F6 Fe N6 O2 P -","- C26 H42 F6 Fe N6 O2 P -","- C208 H336 F48 Fe8 N48 O16 P8 -","8","1","","Megumi Okuhata; Yusuke Funasako; Kazuyuki Takahashi; Tomoyuki Mochida","A spin-crossover ionic liquid from the cationic iron(III) Schiff base complex","Chem.Commun.","2013","49","","7662","","10.1039/c3cc44199g","","","0.71073","MoKα","","0.0958","0.0789","","","0.2418","0.2663","","","","","","1.052","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109648","25.255","0.003","25.255","0.003","39.511","0.004","90","","90","","90","","25201","5","100","","100","","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C26 H42 F6 Fe N6 O2 P -","- C26 H42 F6 Fe N6 O2 P -","- C832 H1344 F192 Fe32 N192 O64 P32 -","32","2","","Megumi Okuhata; Yusuke Funasako; Kazuyuki Takahashi; Tomoyuki Mochida","A spin-crossover ionic liquid from the cationic iron(III) Schiff base complex","Chem.Commun.","2013","49","","7662","","10.1039/c3cc44199g","","","0.71073","MoKα","","0.0457","0.039","","","0.097","0.1028","","","","","","1.017","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109649","11.2372","0.0018","9.8524","0.0015","15.84","0.003","90","","106.713","0.008","90","","1679.6","0.5","100","2","100","2","","","","","","","Isolated natural product","6","P 1 21 1","P 2yb","4","Complex between enterobactin and silicon","","","- C32 H28 N3 Na2 O18 Si -","- C31.9999 H27.9997 N3 Na2 O18 Si -","- C63.9998 H55.9994 N6 Na4 O36 Si2 -","2","1","","Timothee J. N. Kenla; Michel D. Kongue Tatong; Ferdinand Mouafo Talontsi; Birger Dittrich; Holm Frauendorf; Hartmut Laatsch","Si-enterobactin from the endophytic Streptomyces sp. KT-S1-B5 ‒ a potential silicon transporter in Nature?","Chem.Commun.","2013","49","","7641","","10.1039/c3cc44437f","","","1.54178","CuKα","","0.031","0.0293","","","0.0768","0.0782","","","","","","1.038","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109650","7.2297","0.0002","15.8563","0.0005","12.3339","0.0004","90","","98.312","0.002","90","","1399.06","0.07","150","","150","","","","","","","","Henj471A","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Br2 O3 S -","- C14 H10 Br2 O3 S -","- C56 H40 Br8 O12 S4 -","4","1","","Catherine Hall; Jaclyn L. Henderson; Guillaume Ernouf; Michael F. Greaney","Tandem thia-Fries rearrangement ‒ cyclisation of 2-(trimethylsilyl)phenyl trifluoromethanesulfonate benzyne precursors","Chem.Commun.","2013","49","","7602","","10.1039/c3cc44529a","","","0.71073","MoKα","","0.0332","0.0266","","0.07","0.0682","0.07","","","","","","0.7565","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109651","26.5879","0.0006","26.5879","0.0006","67.331","0.004","90","","90","","120","","41221","3","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C80 H101.33 Cd3 N8.67 O26.67 -","- C56 H24 Cd3 O16 -","- C1008 H432 Cd54 O288 -","18","0.5","","Yun-Nan Gong; Tong-Bu Lu","Fast detection of oxygen by the naked eye using a stable metal-organic framework containing methyl viologen cations","Chem.Commun.","2013","49","","7711","","10.1039/c3cc42268b","","","1.54178","CuKα","","0.0808","0.067","","","0.1709","0.1775","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109652","12.939","0.005","16.079","0.006","10.585","0.004","90","","96.796","0.011","90","","2186.7","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Naphthalenebishydraziimide","","","- C44 H46 F6 N4 O8 -","- C44 H46 F6 N4 O8 -","- C88 H92 F12 N8 O16 -","2","0.5","","M. R. Ajayakumar; Geeta Hundal; Pritam Mukhopadhyay","A tetrastable naphthalenediimide: anion induced charge transfer, single and double electron transfer for combinational logic gates","Chem.Commun.","2013","49","","7684","","10.1039/c3cc43280g","","","0.71073","MoKα","","0.2018","0.1315","","","0.3415","0.387","","","","","","0.976","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109653","10.0368","0.0003","30.8934","0.0008","10.8177","0.0004","90","","109.139","0.004","90","","3168.85","0.19","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 P -","- C42 H31 P -","- C168 H124 P4 -","4","1","","Jian Cao; Xian Huang; Luling Wu","Nickel-catalyzed manipulation of tertiary phosphines via highly selective C-P bond cleavage","Chem.Commun.","2013","49","","7747","","10.1039/c3cc43640c","","","0.71073","MoKα","","0.067","0.0494","","","0.1149","0.1249","","","","","","1.037","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109654","9.8232","0.0011","30.276","0.002","10.9053","0.0019","90","","120.527","0.009","90","","2793.8","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 P -","- C37 H29 P -","- C148 H116 P4 -","4","1","","Jian Cao; Xian Huang; Luling Wu","Nickel-catalyzed manipulation of tertiary phosphines via highly selective C-P bond cleavage","Chem.Commun.","2013","49","","7747","","10.1039/c3cc43640c","","","0.71073","MoKα","","0.122","0.0797","","","0.1938","0.2221","","","","","","1.044","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109655","9.8506","0.0005","9.3011","0.0004","29.8411","0.0011","90","","93.387","0.003","90","","2729.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 P -","- C37 H29 P -","- C148 H116 P4 -","4","1","","Jian Cao; Xian Huang; Luling Wu","Nickel-catalyzed manipulation of tertiary phosphines via highly selective C-P bond cleavage","Chem.Commun.","2013","49","","7747","","10.1039/c3cc43640c","","","0.71073","MoKα","","0.0705","0.0458","","","0.0982","0.11","","","","","","1.023","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109656","31.1023","0.0019","31.1023","0.0019","45.205","0.003","90","","90","","120","","37871","4","100","2","298","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C357.33 H712 In6 N2 O156.67 P3 -","- C144 H72 In6 O44 P3 -","- C432 H216 In18 O132 P9 -","3","0.333333","","Zhuxiu Zhang; Young Ran Ji; Lukasz Wojtas; Wen-Yang Gao; Shengqian Ma; Michael J. Zaworotko; Jon C. Antilla","Two homochiral organocatalytic metal organic materials with nanoscopic channels","Chem.Commun.","2013","49","","7693","","10.1039/c3cc43801e","","","0.41328","synchrotron","","0.0702","0.0458","","","0.1066","0.112","","","","","","0.991","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109657","17.4396","0.001","22.404","0.0015","29.2728","0.0018","90","","90","","90","","11437.4","1.2","230","2","230","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H19 Cd2 O20 P -","- C52 H20 Cd2 O20 P -","- C208 H80 Cd8 O80 P4 -","4","1","","Zhuxiu Zhang; Young Ran Ji; Lukasz Wojtas; Wen-Yang Gao; Shengqian Ma; Michael J. Zaworotko; Jon C. Antilla","Two homochiral organocatalytic metal organic materials with nanoscopic channels","Chem.Commun.","2013","49","","7693","","10.1039/c3cc43801e","","","1.54178","CuKα","","0.0363","0.0313","","","0.0697","0.0713","","","","","","0.923","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109658","7.2969","0.0011","11.1694","0.0016","16.483","0.002","90","","90","","90","","1343.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 Br O2 -","- C16 H13 Br O2 -","- C64 H52 Br4 O8 -","4","1","","Jun-Wei Zhang; Quan Cai; Qing Gu; Xiao-Xin Shi; Shu-Li You","Enantioselective synthesis of benzofurans and benzoxazines via an olefin cross-metathesis-intramolecular oxo-Michael reaction","Chem.Commun.","2013","49","","7750","","10.1039/c3cc43937b","","","0.71073","MoKα","","0.0632","0.0411","","","0.1001","0.1122","","","","","","0.92","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109659","5.1604","0.0007","13.8657","0.0019","14.351","0.002","104.433","0.003","90.414","0.003","95.735","0.003","988.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Br N2 O2 -","- C23 H21 Br N2 O2 -","- C46 H42 Br2 N4 O4 -","2","1","","Jun-Wei Zhang; Quan Cai; Qing Gu; Xiao-Xin Shi; Shu-Li You","Enantioselective synthesis of benzofurans and benzoxazines via an olefin cross-metathesis-intramolecular oxo-Michael reaction","Chem.Commun.","2013","49","","7750","","10.1039/c3cc43937b","","","0.71073","MoKα","","0.1173","0.0954","","","0.2263","0.2364","","","","","","1.131","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109660","7.8233","0.0002","20.9085","0.0008","9.5272","0.0003","90","","113.284","0.002","90","","1431.48","0.08","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N3 O4 -","- C14 H19 N3 O4 -","- C56 H76 N12 O16 -","4","1","","Timothy K. Lane; Minh H. Nguyen; Brendan R. D'Souza; Nathan A. Spahn; Janis Louie","The iron-catalyzed construction of 2-aminopyrimidines from alkynenitriles and cyanamides","Chem.Commun.","2013","49","","7735","","10.1039/c3cc44422h","","","0.71073","MoKα","","0.0786","0.0513","","","0.1276","0.1456","","","","","","1.044","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109661","15.1339","0.0014","23.3855","0.0014","20.0338","0.0015","90","","90","","90","","7090.2","0.9","130","2","130","2","","","","","","","","8","C 2 2 2","C 2 2","21","","","","- C64.4 H75 B2 F8 N5 Ni O5.6 P4 -","- C58 H59 B2 F8 N5 Ni O4 P4 -","- C232 H236 B8 F32 N20 Ni4 O16 P16 -","4","0.5","","Wesley A. Hoffert; John A. S. Roberts; R. Morris Bullock; Monte L. Helm","Production of H2 at fast rates using a nickel electrocatalyst in water-acetonitrile solutions","Chem.Commun.","2013","49","","7767","","10.1039/c3cc43203c","","","0.71073","MoKα","","0.0617","0.0494","","","0.1354","0.1428","","","","","","1.076","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109662","6.523","0.002","8.265","0.003","10.224","0.004","76.259","0.007","87.845","0.007","87.161","0.007","534.6","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","4-nitrobenzamide:1,4-diiodobenzene","","","- C10 H8 I N2 O3 -","- C10 H8 I N2 O3 -","- C20 H16 I2 N4 O6 -","2","1","","Srinu Tothadi; Gautam R. Desiraju","Designing ternary cocrystals with hydrogen bonds and halogen bonds","Chem.Commun.","2013","49","","7791","","10.1039/c3cc43822h","","","0.71073","MoKα","","0.0879","0.0837","","","0.2156","0.2195","","","","","","1.111","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109663","9.1722","0.0009","9.8317","0.001","11.7873","0.0012","90","","90.719","0.006","90","","1062.88","0.19","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","4-iodobenzamide: 1,4-dinitrobenzene","","","- C10 H10 I N O4 -","- C10 H10 I N O4 -","- C40 H40 I4 N4 O16 -","4","0.5","","Srinu Tothadi; Gautam R. Desiraju","Designing ternary cocrystals with hydrogen bonds and halogen bonds","Chem.Commun.","2013","49","","7791","","10.1039/c3cc43822h","","","0.71073","MoKα","","0.0166","0.0162","","","0.0499","0.0502","","","","","","1.209","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109664","13.6257","0.0012","9.9114","0.0009","9.5779","0.0008","90","","106.893","0.007","90","","1237.68","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-nitrobenzamide:oxalic acid:1,4-diiodobenzene","","","- C11 H9 I N2 O5 -","- C11 H9 I N2 O5 -","- C44 H36 I4 N8 O20 -","4","1","","Srinu Tothadi; Gautam R. Desiraju","Designing ternary cocrystals with hydrogen bonds and halogen bonds","Chem.Commun.","2013","49","","7791","","10.1039/c3cc43822h","","","0.71073","MoKα","","0.0213","0.0204","","","0.0543","0.0548","","","","","","1.165","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109665","6.4365","0.0011","7.4527","0.0013","14.168","0.003","98.844","0.007","101.27","0.007","92.395","0.007","656.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","4-nitrobenzamide:fumaric acid:1,4-diiodobenzene","","","- C12 H10 I N2 O5 -","- C12 H10 I N2 O5 -","- C24 H20 I2 N4 O10 -","2","1","","Srinu Tothadi; Gautam R. Desiraju","Designing ternary cocrystals with hydrogen bonds and halogen bonds","Chem.Commun.","2013","49","","7791","","10.1039/c3cc43822h","","","0.71073","MoKα","","0.0252","0.0242","","","0.0613","0.0623","","","","","","1.13","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109666","13.592","0.001","9.929","0.0007","9.4437","0.0007","90","","107.381","0.008","90","","1216.28","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Br0.54 I0.44 N2 O5 -","- C11 H9 Br0.54 I0.44 N2 O5 -","- C44 H36 Br2.16 I1.76 N8 O20 -","4","1","","Srinu Tothadi; Gautam R. Desiraju","Designing ternary cocrystals with hydrogen bonds and halogen bonds","Chem.Commun.","2013","49","","7791","","10.1039/c3cc43822h","","","0.71073","MoKα","","0.0376","0.036","","","0.1018","0.1029","","","","","","1.093","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109667","6.362","0.0009","13.8657","0.0019","13.6664","0.0017","90","","116.646","0.007","90","","1077.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-nitrobenzamide: adipic acid","","","- C10 H11 N2 O5 -","- C10 H11 N2 O5 -","- C40 H44 N8 O20 -","4","1","","Srinu Tothadi; Gautam R. Desiraju","Designing ternary cocrystals with hydrogen bonds and halogen bonds","Chem.Commun.","2013","49","","7791","","10.1039/c3cc43822h","","","0.71073","MoKα","","0.0393","0.0342","","","0.0859","0.0889","","","","","","1.066","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109668","7.3472","0.0012","19.841","0.003","9.2185","0.0015","90","","106.837","0.007","90","","1286.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-nitrobenzamide: benzoic acid","","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C56 H48 N8 O20 -","4","1","","Srinu Tothadi; Gautam R. Desiraju","Designing ternary cocrystals with hydrogen bonds and halogen bonds","Chem.Commun.","2013","49","","7791","","10.1039/c3cc43822h","","","0.71073","MoKα","","0.0971","0.0583","","","0.1275","0.1438","","","","","","0.997","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109669","31.134","0.008","5.1606","0.0013","12.67","0.003","90","","107.206","0.007","90","","1944.6","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-nitrobenzamide: succinic acid","","","- C9 H9 N2 O5 -","- C9 H9 N2 O5 -","- C72 H72 N16 O40 -","8","1","","Srinu Tothadi; Gautam R. Desiraju","Designing ternary cocrystals with hydrogen bonds and halogen bonds","Chem.Commun.","2013","49","","7791","","10.1039/c3cc43822h","","","0.71073","MoKα","","0.0376","0.0336","","","0.0863","0.0891","","","","","","1.074","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109670","9.5268","0.0013","9.6155","0.0013","13.8866","0.0019","81.082","0.006","70.278","0.005","88.85","0.006","1182.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","3,5-dinitrobenzamide: 1,4-diiodobenzene","","","- C20 H14 I2 N6 O10 -","- C20 H14 I2 N6 O10 -","- C40 H28 I4 N12 O20 -","2","1","","Srinu Tothadi; Gautam R. Desiraju","Designing ternary cocrystals with hydrogen bonds and halogen bonds","Chem.Commun.","2013","49","","7791","","10.1039/c3cc43822h","","","0.71073","MoKα","","0.0596","0.0528","","","0.144","0.1502","","","","","","1.111","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109671","6.9143","0.0009","7.4292","0.001","10.0061","0.0013","94.403","0.007","95.082","0.007","111.305","0.008","473.68","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","4-nitrobenzamide:1,4-dioxane solvate","","","- C9 H10 N2 O4 -","- C9 H10 N2 O4 -","- C18 H20 N4 O8 -","2","1","","Srinu Tothadi; Gautam R. Desiraju","Designing ternary cocrystals with hydrogen bonds and halogen bonds","Chem.Commun.","2013","49","","7791","","10.1039/c3cc43822h","","","0.71073","MoKα","","0.0417","0.0387","","","0.1077","0.11","","","","","","1.025","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109672","6.2989","0.0009","11.2618","0.0016","9.7942","0.0014","90","","103.974","0.002","90","","674.21","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H14 I N O -","- C15 H14 I N O -","- C30 H28 I2 N2 O2 -","2","1","","Benito Alcaide; Pedro Almendros; Jose M. Alonso; Sara Cembellin; Israel Fernandez; Teresa Martinez del Campo; M. Rosario Torres","Iodine recycling via 1,3-migration in iodoindoles under metal catalysis","Chem.Commun.","2013","49","","7779","","10.1039/c3cc44073g","","","0.71073","MoKα","","0.0313","0.0284","","","0.0702","0.0721","","","","","","0.997","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109673","8.9063","0.0006","9.086","0.0005","11.3268","0.0006","92.966","0.004","93.718","0.005","114.679","0.006","827.98","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl2 Cu2 N4 O8 -","- C30 H22 Cl2 Cu2 N4 O8 -","- C30 H22 Cl2 Cu2 N4 O8 -","1","0.5","","Ashok Sasmal; Sandeepta Saha; Carlos J. Gomez-Garcia; Cedric Desplanches; Eugenio Garribba; Antonio Bauza; Antonio Frontera; Reum Scott; Ray J. Butcher; Samiran Mitra","Reversible switching of the electronic ground state in a pentacoordinated Cu(II) complex","Chem.Commun.","2013","49","","7806","","10.1039/c3cc44276d","","","0.71073","MoKα","","0.113","0.0645","","","0.1636","0.1862","","","","","","1.016","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109674","40.525","0.004","24.073","0.002","12.188","0.001","90","","105.746","0.002","90","","11443.9","1.8","150.01","","150.01","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C101 H75 F12 N13 O18 S8 Zn2 -","- C94 H64 F6 N12 O8 S6 Zn2 -","- C376 H256 F24 N48 O32 S24 Zn8 -","4","0.5","","David J. Cooke; Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Christopher Slater","Steric control of the formation of dinuclear double helicate and dinuclear meso-helicate assemblies","Chem.Commun.","2013","49","","7785","","10.1039/c3cc44611e","","","0.71073","MoKα","","0.1291","0.0635","","","","0.2419","","","","","","0.9833","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109675","12.6829","0.0008","16.4451","0.001","25.0185","0.0014","94.603","0.001","101.549","0.001","97.467","0.002","5038.7","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C101.53 H78 Cd2 Cl4 N16.76 O18.24 S4 -","- C101.532 H76 Cd2 Cl4 N16.766 O18.234 S4 -","- C203.064 H152 Cd4 Cl8 N33.532 O36.468 S8 -","2","1","","David J. Cooke; Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Christopher Slater","Steric control of the formation of dinuclear double helicate and dinuclear meso-helicate assemblies","Chem.Commun.","2013","49","","7785","","10.1039/c3cc44611e","","","0.71073","MoKα","","0.1328","0.0582","","","0.1237","0.1518","","","","","","1.014","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109676","45.5093","0.0011","22.2219","0.0005","17.1211","0.0004","90","","90","","90","","17314.6","0.7","150","2","150","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C90 H62 Cl4 Fe2 N14 O20 S4 -","- C90 H62 Cl4 Fe2 N14 O20 S4 -","- C720 H496 Cl32 Fe16 N112 O160 S32 -","8","","","David J. Cooke; Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Christopher Slater","Steric control of the formation of dinuclear double helicate and dinuclear meso-helicate assemblies","Chem.Commun.","2013","49","","7785","","10.1039/c3cc44611e","","","0.71073","MoKα","","0.1053","0.0549","","","0.1354","0.1586","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109677","11.2403","0.0004","14.2668","0.0006","15.989","0.0006","97.916","0.001","102.704","0.001","91.632","0.001","2472.85","0.17","150","2","150","2","","","","","","","","9","P -1","-P 1","2","LOMe_CoBF4_MeNO2_CHCl3","","","- C96 H68 B4 Cl12 Co2 F16 N12 O2 S4 -","- C96 H68 B4 Cl12 Co2 F16 N12 O2 S4 -","- C96 H68 B4 Cl12 Co2 F16 N12 O2 S4 -","1","0.5","","David J. Cooke; Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Christopher Slater","Steric control of the formation of dinuclear double helicate and dinuclear meso-helicate assemblies","Chem.Commun.","2013","49","","7785","","10.1039/c3cc44611e","","","0.71073","","","0.1036","0.0611","","","0.1684","0.1935","","","","","","1.041","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109678","21.7","0.0011","12.4488","0.0006","22.22","0.0011","90","","117.05","0.001","90","","5345.9","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C110.95 H82.43 Cd2 Cl4 N15.48 O18 S4 -","- C110.952 H82.428 Cd2 Cl4 N15.476 O18 S4 -","- C221.904 H164.856 Cd4 Cl8 N30.952 O36 S8 -","2","0.5","","David J. Cooke; Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Christopher Slater","Steric control of the formation of dinuclear double helicate and dinuclear meso-helicate assemblies","Chem.Commun.","2013","49","","7785","","10.1039/c3cc44611e","","","0.71073","","","0.0963","0.0546","","","0.1503","0.1743","","","","","","1.023","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109679","47.3227","0.0017","21.8469","0.0008","17.048","0.0006","90","","90","","90","","17625.1","1.1","150","2","150","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C95.95 H60.51 Cd2 Cl7 N6.95 O18.95 S4 -","- C95.474 H57 Cd2 Cl7 N6.474 O18 S4 -","- C763.792 H456 Cd16 Cl56 N51.792 O144 S32 -","8","","","David J. Cooke; Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Christopher Slater","Steric control of the formation of dinuclear double helicate and dinuclear meso-helicate assemblies","Chem.Commun.","2013","49","","7785","","10.1039/c3cc44611e","","","0.71073","MoKα","","0.0901","0.0546","","","0.1451","0.1674","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109680","11.8631","0.0004","18.8439","0.0006","12.3763","0.0004","90","","91.9959","0.0009","90","","2765.01","0.16","123.1","","123.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O4 S2 -","- C11 H14 N2 O4 S2 -","- C88 H112 N16 O32 S16 -","8","2","","Tadashi Miyazawa; Kouhei Umezaki; Noriko Tarashima; Kazuhiro Furukawa; Takashi Ooi; Noriaki Minakawa","Synthesis of a novel 1,2-dithianenucleoside via Pummerer-like reaction, followed by Vorbruggen glycosylation between a 1,2-dithiane derivative and uracil","Chem.Commun.","2013","49","","7851","","10.1039/c3cc44848g","","","0.7107","MoKα","","","0.027","","","","0.081","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109681","44.9393","0.0017","27.0903","0.001","28.1541","0.001","90","","90","","90","","34275","2","273","2","273","2","","","","","","","","8","C m c 21","C 2c -2","36","","","","- C65.5 H44 Gd2.5 N12 O58.5 Ru2 Si W12 -","- C65.5 H44 Gd2.5 N12 O58.5 Ru2 Si W12 -","- C524 H352 Gd20 N96 O468 Ru16 Si8 W96 -","8","1","","Lei Wang; Weiting Yang; Fei-Yan Yi; Hao Wang; Zhigang Xie; Jinkui Tang; Zhong-Ming Sun","A highly efficient 'metalloligand' strategy for the synthesis of ternary Ln-Ru-W hybrids","Chem.Commun.","2013","49","","7911","","10.1039/c3cc43277g","","","0.71073","MoKα","","0.0671","0.042","","","0.0924","0.0975","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109682","44.598","0.004","27.606","0.003","27.251","0.003","90","","90","","90","","33551","6","175","2","175","2","","","","","","","","8","C m c m","-C 2c 2","63","","","","- C32.5 H22 Er1.25 N6 O28.5 Ru Si0.5 W6 -","- C32.5 H22 Er1.25 N6 O28.5 Ru Si0.5 W6 -","- C520 H352 Er20 N96 O456 Ru16 Si8 W96 -","16","1","","Lei Wang; Weiting Yang; Fei-Yan Yi; Hao Wang; Zhigang Xie; Jinkui Tang; Zhong-Ming Sun","A highly efficient 'metalloligand' strategy for the synthesis of ternary Ln-Ru-W hybrids","Chem.Commun.","2013","49","","7911","","10.1039/c3cc43277g","","","0.71073","MoKα","","0.0822","0.0461","","","0.0947","0.1002","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109683","25.251","0.004","11.0982","0.0016","18.647","0.003","90","","122.073","0.002","90","","4428.1","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N4 O2 -","- C26 H24 N4 O2 -","- C208 H192 N32 O16 -","8","1","","Xiao-Qiang Hu; Jia-Rong Chen; Shuang Gao; Bin Feng; Liang-Qiu Lu; Wen-Jing Xiao","[4+3] Cycloaddition of in situ generated azoalkenes with C,N-cyclic azomethine imines: efficient synthesis of tetrazepine derivatives","Chem.Commun.","2013","49","","7905","","10.1039/c3cc43888k","","","0.71073","MoKα","","0.0587","0.043","","","0.1194","0.1336","","","","","","1.036","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109684","10.667","0.003","27.905","0.007","9.77","0.002","90","","96.429","0.005","90","","2889.9","1.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 N4 O2 -","- C31 H26 N4 O2 -","- C124 H104 N16 O8 -","4","1","","Xiao-Qiang Hu; Jia-Rong Chen; Shuang Gao; Bin Feng; Liang-Qiu Lu; Wen-Jing Xiao","[4+3] Cycloaddition of in situ generated azoalkenes with C,N-cyclic azomethine imines: efficient synthesis of tetrazepine derivatives","Chem.Commun.","2013","49","","7905","","10.1039/c3cc43888k","","","0.71073","MoKα","","0.1546","0.0774","","","0.1831","0.2147","","","","","","0.908","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109685","15.9265","0.0003","15.7081","0.0003","16.9952","0.0003","90","","98.7514","0.0011","90","","4202.28","0.14","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Co2 N12 O Rh -","- C44 H42 Cl2 Co2 N12 O Rh -","- C176 H168 Cl8 Co8 N48 O4 Rh4 -","4","1","","Ming-Chuan Cheng; Chi-Lun Mai; Chen-Yu Yeh; Gene-Hsiang Lee; Shie-Ming Peng","Facile synthesis of heterotrimetallic metal-string complex [NiCoRh(dpa)4Cl2] through direct metal replacement","Chem.Commun.","2013","49","","7938","","10.1039/c3cc43909g","","","0.71073","MoKα","","0.0669","0.0373","","","0.0815","0.0883","","","","","","1.006","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109686","16.0264","0.0002","15.7368","0.0003","16.9707","0.0002","90","","99.9708","0.0009","90","","4215.44","0.11","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 Cl2 Co N12 Ni O Rh -","- C44 H42 Cl2 Co N12 Ni O Rh -","- C176 H168 Cl8 Co4 N48 Ni4 O4 Rh4 -","4","1","","Ming-Chuan Cheng; Chi-Lun Mai; Chen-Yu Yeh; Gene-Hsiang Lee; Shie-Ming Peng","Facile synthesis of heterotrimetallic metal-string complex [NiCoRh(dpa)4Cl2] through direct metal replacement","Chem.Commun.","2013","49","","7938","","10.1039/c3cc43909g","","","0.71073","MoKα","","0.0718","0.0416","","","0.1016","0.1134","","","","","","1.057","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109687","11.5298","0.0003","21.0861","0.0004","20.3746","0.0005","90","","92.8115","0.001","90","","4947.5","0.2","150","2","150","2","","","","","","","","10","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H40 Cl5 Co F6 N12 Ni O0.5 P Rh -","- C43.5 H40 Cl5 Co F6 N12 Ni O0.5 P Rh -","- C174 H160 Cl20 Co4 F24 N48 Ni4 O2 P4 Rh4 -","4","1","","Ming-Chuan Cheng; Chi-Lun Mai; Chen-Yu Yeh; Gene-Hsiang Lee; Shie-Ming Peng","Facile synthesis of heterotrimetallic metal-string complex [NiCoRh(dpa)4Cl2] through direct metal replacement","Chem.Commun.","2013","49","","7938","","10.1039/c3cc43909g","","","0.71073","MoKα","","0.0923","0.0529","","","0.1421","0.1553","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109688","18.73","0.001","17.2013","0.0008","15.5306","0.0008","90","","110.081","0.003","90","","4699.5","0.4","150","2","150","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 Cl5 Co F6 N12 Ni P Rh -","- C42 H36 Cl5 Co F6 N12 Ni P Rh -","- C168 H144 Cl20 Co4 F24 N48 Ni4 P4 Rh4 -","4","0.5","","Ming-Chuan Cheng; Chi-Lun Mai; Chen-Yu Yeh; Gene-Hsiang Lee; Shie-Ming Peng","Facile synthesis of heterotrimetallic metal-string complex [NiCoRh(dpa)4Cl2] through direct metal replacement","Chem.Commun.","2013","49","","7938","","10.1039/c3cc43909g","","","0.71073","MoKα","","0.085","0.0518","","","0.1364","0.1533","","","","","","1.118","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109689","24.508","0.003","19.467","0.003","6.9054","0.0009","90","","102.327","0.006","90","","3218.6","0.8","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","KEDP1 3H-imidazo[4,5-b]pyridine, 1,3-diphenylurea","","- C19 H17 N5 O -","- C19 H17 N5 O -","- C152 H136 N40 O8 -","8","1","","Kanishka Epa; Christer B. Aakeroy; John Desper; Sundeep Rayat; Kusum Lata Chandra; Aurora J. Cruz-Cabeza","Controlling molecular tautomerism through supramolecular selectivity","Chem.Commun.","2013","49","","7929","","10.1039/c3cc43935f","","","0.71073","MoKα","","0.0966","0.0523","","","0.1132","0.1313","","","","","","1.044","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109690","13.0356","0.0007","23.2353","0.0013","9.7061","0.0006","90","","105.229","0.002","90","","2836.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","KEDP5 3H-imidazo[4,5-b]pyridine, 1,4-diiodotetrafluorobenzene","","- C12 H5 F4 I2 N3 -","- C12 H5 F4 I2 N3 -","- C96 H40 F32 I16 N24 -","8","2","","Kanishka Epa; Christer B. Aakeroy; John Desper; Sundeep Rayat; Kusum Lata Chandra; Aurora J. Cruz-Cabeza","Controlling molecular tautomerism through supramolecular selectivity","Chem.Commun.","2013","49","","7929","","10.1039/c3cc43935f","","","0.71073","MoKα","","0.0726","0.0536","","","0.1471","0.1578","","","","","","1.065","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109691","13.5679","0.0017","18.536","0.003","6.9157","0.0009","90","","93.335","0.007","90","","1736.3","0.4","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","KEDPU7 3H-imidazo[4,5-b]pyridine, N-phenyl-N-(4-bromophenyl)-urea","","- C19 H16 Br N5 O -","- C19 H16 Br N5 O -","- C76 H64 Br4 N20 O4 -","4","1","","Kanishka Epa; Christer B. Aakeroy; John Desper; Sundeep Rayat; Kusum Lata Chandra; Aurora J. Cruz-Cabeza","Controlling molecular tautomerism through supramolecular selectivity","Chem.Commun.","2013","49","","7929","","10.1039/c3cc43935f","","","0.71073","MoKα","","0.1113","0.0729","","","0.1932","0.2119","","","","","","1.088","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109692","11.5283","0.0011","14.7657","0.0014","8.7953","0.0008","90","","110.886","0.003","90","","1398.8","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","KEDPX2 3H-imidazo[4,5-b]pyridine, 1,2-diiodotetrafluorobenzene","","- C12 H5 F4 I2 N3 -","- C12 H5 F4 I2 N3 -","- C48 H20 F16 I8 N12 -","4","1","","Kanishka Epa; Christer B. Aakeroy; John Desper; Sundeep Rayat; Kusum Lata Chandra; Aurora J. Cruz-Cabeza","Controlling molecular tautomerism through supramolecular selectivity","Chem.Commun.","2013","49","","7929","","10.1039/c3cc43935f","","","0.71073","MoKα","","0.0443","0.0331","","","0.0729","0.0789","","","","","","1.092","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109693","11.7996","0.0019","13.972","0.002","14.171","0.002","119.48","0.01","104.641","0.011","93.902","0.011","1915.7","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","KEDPK24 3H-imidazo[4,5-b]pyridine, N-(2-methylphenyl)-N-(2-nitrophenyl)-urea","","- C20 H18 N6 O3 -","- C20 H18 N6 O3 -","- C80 H72 N24 O12 -","4","2","","Kanishka Epa; Christer B. Aakeroy; John Desper; Sundeep Rayat; Kusum Lata Chandra; Aurora J. Cruz-Cabeza","Controlling molecular tautomerism through supramolecular selectivity","Chem.Commun.","2013","49","","7929","","10.1039/c3cc43935f","","","1.54178","CuKα","","0.1207","0.074","","","0.1736","0.1978","","","","","","1.062","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109694","8.547","0.004","9.842","0.004","10.684","0.005","76.349","0.009","89.136","0.01","79.581","0.01","858.6","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N6 O -","- C20 H16 N6 O -","- C40 H32 N12 O2 -","2","1","","Kanishka Epa; Christer B. Aakeroy; John Desper; Sundeep Rayat; Kusum Lata Chandra; Aurora J. Cruz-Cabeza","Controlling molecular tautomerism through supramolecular selectivity","Chem.Commun.","2013","49","","7929","","10.1039/c3cc43935f","","","0.71073","MoKα","","0.0939","0.0674","","","0.184","0.227","","","","","","1.496","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109695","10.465","0.001","29.395","0.003","21.868","0.002","90","","100.23","0.01","90","","6620.1","1.1","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C102 Cl20 -","- C102 Cl20 -","- C408 Cl80 -","4","1","","Shangfeng Yang; Tao Wei; Song Wang; Daria V. Ignat'eva; Erhard Kemnitz; Sergey I. Troyanov","The first structural confirmation of a C/102 fullerene as C'102Cl/20 containing a non-IPR carbon cage","Chem.Commun.","2013","49","","7944","","10.1039/c3cc44386h","","","0.88561","synchrotron","","0.1906","0.1625","","","0.3811","0.4109","","","","","","1.089","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109696","7.2567","0.0007","8.4582","0.0007","8.5905","0.0009","73.313","0.009","82.586","0.011","73.399","0.01","483.38","0.09","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 F N O2 S -","- C10 H8 F N O2 S -","- C20 H16 F2 N2 O4 S2 -","2","1","","Kensuke Hirotaki; Yui Takehiro; Ryo Kamaishi; Yasunori Yamada; Takeshi Hanamoto","Synthesis of mono-fluorinated functionalized cyclopropanes and aziridines using the alpha-fluorovinyl diphenyl sulfonium salt","Chem.Commun.","2013","49","","7965","","10.1039/c3cc44519d","","","0.71075","MoKα","","","0.029","","","","0.0835","","","","","","1.079","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109697","17.0215","0.0008","12.175","0.0005","15.8959","0.0007","90","","90","","90","","3294.2","0.3","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C33 H33 Cl2 F3 N2 O5 S -","- C33 H33 Cl2 F3 N2 O5 S -","- C132 H132 Cl8 F12 N8 O20 S4 -","4","1","","Maria-Jose Oliva-Madrid; Isabel Saura-Llamas; Delia Bautista; Jose Vicente","Benzyne-benzyne-RNC or CO triple sequential insertion into the Pd-C bond: synthesis of ten-membered N-heterocycles through stable ten- and eleven-membered palladacycles","Chem.Commun.","2013","49","","7997","","10.1039/c3cc43049a","","","0.71073","highbrilliancemicrofocussealedtubeMoKα","","0.0635","0.0548","","","0.1439","0.1515","","","","","","1.044","","","","has coordinates,has disorder","180202","2020-10-21","18:00:00",""
"7109698","29.001","0.002","9.2274","0.0007","19.9745","0.0016","90","","102.373","0.007","90","","5221.1","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H29 Br N2 O2 Pd -","- C28 H29 Br N2 O2 Pd -","- C224 H232 Br8 N16 O16 Pd8 -","8","1","","Maria-Jose Oliva-Madrid; Isabel Saura-Llamas; Delia Bautista; Jose Vicente","Benzyne-benzyne-RNC or CO triple sequential insertion into the Pd-C bond: synthesis of ten-membered N-heterocycles through stable ten- and eleven-membered palladacycles","Chem.Commun.","2013","49","","7997","","10.1039/c3cc43049a","","","1.54184","CuKα","","0.0553","0.0479","","","0.128","0.137","","","","","","1.04","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109699","9.8534","0.0002","11.5276","0.0003","27.9228","0.0007","90","","98.7291","0.0009","90","","3134.9","0.13","123","1","123","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H74 N2 O12 Rh2 S2 -","- C58 H74 N2 O12 Rh2 S2 -","- C116 H148 N4 O24 Rh4 S4 -","2","1","","Thorsten Hoke; Eberhardt Herdtweck; Thorsten Bach","Hydrogen-bond mediated regio- and enantioselectivity in a C-H amination reaction catalysed by a supramolecular Rh(II) complex","Chem.Commun.","2013","49","","8009","","10.1039/c3cc44197k","","","0.71073","MoKα","","0.0192","0.0186","","","0.0492","0.0497","","","","","","1.055","","","","has coordinates","180202","2020-10-21","18:00:00",""
"7109700","22.8128","0.001","8.4517","0.0003","24.4912","0.001","90","","112.059","0.005","90","","4376.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 F6 N2 S2 -","- C21 H16 F6 N2 S2 -","- C168 H128 F48 N16 S16 -","8","1","","Shouzhi Pu; Chunhong Zheng; Qi Sun; Gang Liu; Congbin Fan","Enhancement of cyclization quantum yields of perfluorodiarylethenes via weak intramolecular interactions","Chem.Commun.","2013","49","","8036","","10.1039/c3cc44348e","","","0.71073","MoKα","","0.0865","0.0612","","","0.161","0.184","","","","","","1.032","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109701","8.8943","0.001","11.917","0.0014","12.0266","0.0014","66.608","0.001","68.416","0.001","78.722","0.001","1086.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F6 N S2 -","- C22 H17 F6 N S2 -","- C44 H34 F12 N2 S4 -","2","1","","Shouzhi Pu; Chunhong Zheng; Qi Sun; Gang Liu; Congbin Fan","Enhancement of cyclization quantum yields of perfluorodiarylethenes via weak intramolecular interactions","Chem.Commun.","2013","49","","8036","","10.1039/c3cc44348e","","","0.71073","MoKα","","0.0795","0.0686","","","0.1895","0.2049","","","","","","1.051","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109702","9.2019","0.0014","11.35","0.002","12.04","0.002","92.035","0.016","105.45","0.016","111.628","0.016","1114.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 F6 N S -","- C24 H19 F6 N S -","- C48 H38 F12 N2 S2 -","2","1","","Shouzhi Pu; Chunhong Zheng; Qi Sun; Gang Liu; Congbin Fan","Enhancement of cyclization quantum yields of perfluorodiarylethenes via weak intramolecular interactions","Chem.Commun.","2013","49","","8036","","10.1039/c3cc44348e","","","0.71073","MoKα","","0.0789","0.0581","","","0.1543","0.171","","","","","","1.193","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109703","11.9922","0.0012","8.6729","0.0005","16.3046","0.0011","90","","94.157","0.008","90","","1691.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H13 F6 N S -","- C17 H13 F6 N S -","- C68 H52 F24 N4 S4 -","4","1","","Shouzhi Pu; Chunhong Zheng; Qi Sun; Gang Liu; Congbin Fan","Enhancement of cyclization quantum yields of perfluorodiarylethenes via weak intramolecular interactions","Chem.Commun.","2013","49","","8036","","10.1039/c3cc44348e","","","0.71073","MoKα","","0.0899","0.0542","","","0.1204","0.1474","","","","","","1.059","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109704","9.543","0.003","10.021","0.004","26.16","0.009","90","","90","","90","","2501.7","1.5","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H25 Cl N2 O3 S -","- C29 H25 Cl N2 O3 S -","- C116 H100 Cl4 N8 O12 S4 -","4","1","","Yunfei Cai; Xiaohua Liu; Pengfei Zhou; Yulong Kuang; Lili Lin; Xiaoming Feng","Iron-catalyzed asymmetric haloamination reactions","Chem.Commun.","2013","49","","8054","","10.1039/c3cc44421j","","","0.71073","MoKα","","0.076","0.0613","","","0.1464","0.156","","","","","","1.05","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109705","16.5286","0.0002","16.5286","0.0002","30.1709","0.0004","90","","90","","120","","7138.24","0.15","100","2","100","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C41.16 H29.16 Cl9.49 N6 O4 Pd2 -","- C41.1633 H29.1633 Cl9.49 N6 O4 Pd2 -","- C246.98 H174.98 Cl56.94 N36 O24 Pd12 -","6","1","","Qi-Qiang Wang; Victor W. Day; Kristin Bowman-James","Hexagonal molecular 'palladawheel'","Chem.Commun.","2013","49","","8042","","10.1039/c3cc44714f","","","1.54178","CuKα","","0.0996","0.0969","","","0.2453","0.2468","","","","","","1.144","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109706","29.4047","0.0013","35.5722","0.0008","24.9143","0.0011","90","","123.124","0.006","90","","21825","2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C228 H470 Co16 Dy26 N66 O307 -","- C208 H246 Co16 Dy26 N66 O218 -","- C416 H492 Co32 Dy52 N132 O436 -","2","0.25","","Ze-Min Zhang; Lu-Yi Pan; Wei-Quan Lin; Ji-Dong Leng; Fu-Sheng Guo; Yan-Cong Chen; Jun-Liang Liu; Ming-Liang Tong","Wheel-shaped nanoscale 3d-4f {Co^II^16Ln^III^24} clusters (Ln = Dy and Gd)","Chem.Commun.","2013","49","","8081","","10.1039/c3cc45075a","","","1.54178","CuKα","","0.0979","0.0767","","","0.2139","0.2333","","","","","","1.023","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109707","29.3969","0.0009","35.575","0.0006","24.9218","0.0006","90","","123.109","0.003","90","","21831.3","1.2","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C228 H460 Co16 Gd26 N66 O302 -","- C208 H246 Co16 Gd26 N66 O218 -","- C416 H492 Co32 Gd52 N132 O436 -","2","0.25","","Ze-Min Zhang; Lu-Yi Pan; Wei-Quan Lin; Ji-Dong Leng; Fu-Sheng Guo; Yan-Cong Chen; Jun-Liang Liu; Ming-Liang Tong","Wheel-shaped nanoscale 3d-4f {Co^II^16Ln^III^24} clusters (Ln = Dy and Gd)","Chem.Commun.","2013","49","","8081","","10.1039/c3cc45075a","","","1.54178","CuKα","","0.0962","0.0775","","","0.2199","0.2384","","","","","","1.016","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109708","15.561","0.002","15.561","0.002","40.195","0.008","90","","90","","90","","9733","3","185","2","185","2","","","","","","","","7","I 4/m","-I 4","87","(Fe4(C40H44S4O4)Cl)FeCl2(C6H4NO2)2","","","- C64 H60 Cl3 Fe5 N4 O12 S4 -","- C64 H60 Cl3 Fe5 N4 O12 S4 -","- C256 H240 Cl12 Fe20 N16 O48 S16 -","4","0.25","","Huaqiao Tan; Shangchao Du; Yanfeng Bi; Wuping Liao","Two 2D metal-calixarene aggregates incorporating pre-designed coordination nanocages","Chem.Commun.","2013","49","","8211","","10.1039/c3cc42259c","","","0.71073","MoKα","","0.0808","0.0711","","","0.2062","0.2121","","","","","","1.039","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109709","15.6006","0.0003","15.6006","0.0003","38.9682","0.0019","90","","90","","90","","9484","0.5","150","2","150","2","","","","","","","","7","I 4/m","-I 4","87","(Co4(C40H44S4O4)Cl)CoCl2(C6H4NO2)2","","","- C64 H60 Cl3 Co5 N4 O12 S4 -","- C64 H58 Cl3 Co5 N4 O12 S4 -","- C256 H232 Cl12 Co20 N16 O48 S16 -","4","0.25","","Huaqiao Tan; Shangchao Du; Yanfeng Bi; Wuping Liao","Two 2D metal-calixarene aggregates incorporating pre-designed coordination nanocages","Chem.Commun.","2013","49","","8211","","10.1039/c3cc42259c","","","0.71073","MoKα","","0.0704","0.0509","","","0.13","0.1403","","","","","","1.031","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109710","23.6972","0.001","23.6972","0.001","14.1273","0.0006","90","","90","","90","","7933.3","0.6","123","2","123","2","","","","","","","","5","P 41 2 2","P 4w 2c","91","","","","- C38 H38 Dy Na O14 -","- C38 H32 Dy Na O14 -","- C152 H128 Dy4 Na4 O56 -","4","0.5","","Yongwu Peng; Tengfei Gong; Yong Cui","A homochiral porous metal-organic framework for enantioselective adsorption of mandelates and photocyclizaton of tropolone ethers","Chem.Commun.","2013","49","","8253","","10.1039/c3cc43549k","","","1.54178","CuKα","","0.089","0.0814","","","0.2127","0.2215","","","","","","1.144","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109711","15.6139","0.0008","18.3439","0.0011","34.336","0.003","90","","90","","90","","9834.5","1.2","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C12 H19 Co3 N10 O12.5 -","- C12 H16 Co3 N10 O12.5 -","- C192 H256 Co48 N160 O200 -","16","0.5","","Ji-Yong Zou; Wei Shi; Na Xu; Lei-Lei Li; Jin-Kui Tang; Hong-Ling Gao; Jian-Zhong Cui; Peng Cheng","A homospin cobalt(II) topological ferrimagnet","Chem.Commun.","2013","49","","8226","","10.1039/c3cc43642j","","","0.71073","MoKα","","0.0694","0.049","","","0.1473","0.1574","","","","","","1.127","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109712","10.3087","0.0015","10.3087","0.0015","13.967","0.003","90","","90","","90","","1484.3","0.4","293","2","293","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C9 H3 Dy O6 -","- C9 H3 Dy O6 -","- C36 H12 Dy4 O24 -","4","0.5","","Qi Zhou; Fen Yang; Bingjing Xin; Guang Zeng; Xiaojing Zhou; Kang Liu; Dingxuan Ma; Guanghua Li; Zhan Shi; Shouhua Feng","Reversible switching of slow magnetic relaxation in a classic lanthanide metal-organic framework system","Chem.Commun.","2013","49","","8244","","10.1039/c3cc43747g","","","0.71073","MoKα","","0.026","0.0223","","","0.0519","0.0531","","","","","","1.082","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109713","16.0598","0.0006","16.0598","0.0006","21.0558","0.0015","90","","90","","120","","4703.1","0.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C26 H23 Cd N9 O7 -","- C26 H19 Cd N9 O7 -","- C156 H114 Cd6 N54 O42 -","6","0.5","","Kaiju Wei; Jia Ni; Yuanzeng Min; Siming Chen; Yangzhong Liu","Unexpected helicity control and helix inversion: homochiral helical nanotubes consisting of an achiral ligand","Chem.Commun.","2013","49","","8220","","10.1039/c3cc43898h","","","0.71073","MoKα","","0.1052","0.0708","","","0.1778","0.2107","","","","","","1.147","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109714","15.7763","0.0004","15.7763","0.0004","20.7324","0.0008","90","","90","","120","","4468.8","0.2","173","2","173","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C28 H26 Cd N10 O7 -","- C28 H26 Cd N10 O7 -","- C168 H156 Cd6 N60 O42 -","6","0.5","","Kaiju Wei; Jia Ni; Yuanzeng Min; Siming Chen; Yangzhong Liu","Unexpected helicity control and helix inversion: homochiral helical nanotubes consisting of an achiral ligand","Chem.Commun.","2013","49","","8220","","10.1039/c3cc43898h","","","0.71073","MoKα","","0.0418","0.0364","","","0.0915","0.0997","","","","","","1.188","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109715","15.439","0.003","8.1148","0.0018","20.524","0.005","90","","110.613","0.005","90","","2406.7","0.9","273","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N6 O3 -","- C26 H26 N6 O3 -","- C104 H104 N24 O12 -","4","1","","Kaiju Wei; Jia Ni; Yuanzeng Min; Siming Chen; Yangzhong Liu","Unexpected helicity control and helix inversion: homochiral helical nanotubes consisting of an achiral ligand","Chem.Commun.","2013","49","","8220","","10.1039/c3cc43898h","","","0.71073","MoKα","","0.1534","0.0785","","","0.1759","0.2195","","","","","","1.004","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109716","13.9282","0.0018","16.957","0.002","9.4902","0.0012","90","","105.412","0.002","90","","2160.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 F N6 O0 -","- C26 H19 F N6 -","- C104 H76 F4 N24 -","4","1","","Kaiju Wei; Jia Ni; Yuanzeng Min; Siming Chen; Yangzhong Liu","Unexpected helicity control and helix inversion: homochiral helical nanotubes consisting of an achiral ligand","Chem.Commun.","2013","49","","8220","","10.1039/c3cc43898h","","","0.71073","MoKα","","0.0743","0.0511","","","0.1397","0.1664","","","","","","1.033","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109717","39.5938","0.0013","13.3342","0.0003","38.3519","0.0008","90","","100.616","0.003","90","","19901.4","0.9","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H126 F12 N4 O24 P2 -","- C94 H126 F12 N4 O24 P2 -","- C752 H1008 F96 N32 O192 P16 -","8","1","","Xiaodong Chi; Min Xue; Yingjie Ma; Xuzhou Yan; Feihe Huang","A pillar[6]arene with mono(ethylene oxide) substituents: synthesis and complexation with diquat","Chem.Commun.","2013","49","","8175","","10.1039/c3cc43940b","","","1.54184","CuKα","","0.0891","0.073","","","0.2097","0.2282","","","","","","1.037","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109718","29.72","0.02","29.72","0.02","26.388","0.018","90","","90","","120","","20185","2","100","2","100","2","","","","","","","","7","P 63/m c m","-P 6c 2","193","","","","- C126 H161 Cl14 Cr9 Cu6 N18 O65.5 -","- C126 H108 Cl14 Cr9 Cu6 N18 O65.5 -","- C252 H216 Cl28 Cr18 Cu12 N36 O131 -","2","0.0833333","","Sameh K. Elsaidi; Mona H. Mohamed; Lukasz Wojtas; Amy J. Cairns; Mohamed Eddaoudi; Michael J. Zaworotko","Two-step crystal engineering of porous nets from [Cr/3(mu/3-O)(RCO/2)6] and [Cu/3(mu/3-Cl)(RNH2)/6Cl/6] molecular building blocks","Chem.Commun.","2013","49","","8154","","10.1039/c3cc44133d","","","0.40663","synchrotron","","0.1336","0.0931","","","0.229","0.2452","","","","","","1.12","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109719","15.2032","0.0006","15.2032","0.0006","46.09","0.002","90","","90","","120","","9225.9","0.7","100","2","100","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- C53.25 H98.33 Cl9 Cr3 N13 O52.4 -","- C54 H44 Cl9.01 Cr3 N10.5 O45.67 -","- C162 H132 Cl27.03 Cr9 N31.5 O137.01 -","3","0.166667","","Sameh K. Elsaidi; Mona H. Mohamed; Lukasz Wojtas; Amy J. Cairns; Mohamed Eddaoudi; Michael J. Zaworotko","Two-step crystal engineering of porous nets from [Cr/3(mu/3-O)(RCO/2)6] and [Cu/3(mu/3-Cl)(RNH2)/6Cl/6] molecular building blocks","Chem.Commun.","2013","49","","8154","","10.1039/c3cc44133d","","","1.54178","CuKα","","0.1374","0.1109","","","0.2833","0.3143","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109720","13.469","0.012","13.469","0.012","27.51","0.02","90","","90","","120","","4322","6","228","2","228","2","","","","","","","","7","P -6 c 2","P -6c 2","188","","","","- C42 H36 Cl7 Cr3 Cu3 N6 O16 -","- C42 H36 Cl7 Cr3 Cu3 N6 O16 -","- C84 H72 Cl14 Cr6 Cu6 N12 O32 -","2","0.166667","","Sameh K. Elsaidi; Mona H. Mohamed; Lukasz Wojtas; Amy J. Cairns; Mohamed Eddaoudi; Michael J. Zaworotko","Two-step crystal engineering of porous nets from [Cr/3(mu/3-O)(RCO/2)6] and [Cu/3(mu/3-Cl)(RNH2)/6Cl/6] molecular building blocks","Chem.Commun.","2013","49","","8154","","10.1039/c3cc44133d","","","1.54178","CuKα","","0.0599","0.0449","","","0.0887","0.0936","","","","","","0.946","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109721","13.366","0.004","3.91","0.0012","20.52","0.006","90","","95.02","0.005","90","","1068.3","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N O2 -","- C14 H9 N O2 -","- C56 H36 N4 O8 -","4","1","","Xiao-Li Lian; Hao Lei; Xue-Jing Quan; Zhi-Hui Ren; Yao-Yu Wang; Zheng-Hui Guan","Oxidation of 2-arylindoles for synthesis of 2-arylbenzoxazinones with oxone as the sole oxidant","Chem.Commun.","2013","49","","8196","","10.1039/c3cc44215b","","","0.71073","MoKα","","0.0834","0.0633","","","0.2264","0.2579","","","","","","1.002","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109722","14.954","0.003","20.598","0.004","25.591","0.005","90","","95.863","0.003","90","","7841","3","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H32 O3 Si -","- C18 H32 O3 Si -","- C288 H512 O48 Si16 -","16","8","","Koichiro Ota; Hiroaki Miyaoka","First total synthesis of (‒)-sinularianin B","Chem.Commun.","2013","49","","8148","","10.1039/c3cc44303e","","","0.71073","MoKα","","0.1066","0.0603","","","0.1393","0.1559","","","","","","0.942","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109723","7.9815","0.0008","9.9504","0.001","10.0645","0.001","96.58","0.002","101.994","0.002","100.214","0.002","759.89","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","1","","Manas K. Ghorai; Ranadeep Talukdar; Deo Prakash Tiwari","An efficient synthetic route to carbocyclic enaminonitriles via Lewis acid catalysed domino-ring-opening-cyclisation (DROC) of donor-acceptor cyclopropanes with malononitrile","Chem.Commun.","2013","49","","8205","","10.1039/c3cc44533j","","","0.71073","MoKα","","0.0572","0.047","","","0.1192","0.1344","","","","","","1.035","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109724","8.06","0.005","10.05","0.005","10.085","0.005","96.045","0.005","103.961","0.005","99.238","0.005","773.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 F N2 O4 -","- C16 H15 F N2 O4 -","- C32 H30 F2 N4 O8 -","2","1","","Manas K. Ghorai; Ranadeep Talukdar; Deo Prakash Tiwari","An efficient synthetic route to carbocyclic enaminonitriles via Lewis acid catalysed domino-ring-opening-cyclisation (DROC) of donor-acceptor cyclopropanes with malononitrile","Chem.Commun.","2013","49","","8205","","10.1039/c3cc44533j","","","0.71069","MoKα","","0.093","0.0513","","","0.0945","0.108","","","","","","1.008","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109725","7.632","0.005","10.273","0.005","11.899","0.005","82.05","0.005","84.145","0.005","70.761","0.005","870.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Manas K. Ghorai; Ranadeep Talukdar; Deo Prakash Tiwari","An efficient synthetic route to carbocyclic enaminonitriles via Lewis acid catalysed domino-ring-opening-cyclisation (DROC) of donor-acceptor cyclopropanes with malononitrile","Chem.Commun.","2013","49","","8205","","10.1039/c3cc44533j","","","0.71069","MoKα","","0.1047","0.063","","","0.1389","0.1696","","","","","","1.026","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109726","12.4927","0.0013","6.4898","0.0007","11.6513","0.0012","90","","109.625","0.0014","90","","889.76","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 N2 S2 -","- C7 H12 N2 S2 -","- C28 H48 N8 S8 -","4","0.5","","Amit Choudhary; Charles G. Fry; Kimberli J. Kamer; Ronald T. Raines","An n‒>pi^*^ interaction reduces the electrophilicity of the acceptor carbonyl group","Chem.Commun.","2013","49","","8166","","10.1039/c3cc44573a","","","0.71073","MoKα","","0.0329","0.0316","","","0.0868","0.0876","","","","","","1.186","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109727","6.5152","0.0003","7.2897","0.0003","12.468","0.0005","100.83","0.003","93.213","0.003","91.152","0.003","580.41","0.04","107","2","107","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 N2 O2 S2 -","- C9 H14 N2 O2 S2 -","- C18 H28 N4 O4 S4 -","2","1","","Amit Choudhary; Charles G. Fry; Kimberli J. Kamer; Ronald T. Raines","An n‒>pi^*^ interaction reduces the electrophilicity of the acceptor carbonyl group","Chem.Commun.","2013","49","","8166","","10.1039/c3cc44573a","","","0.71073","MoKα","","0.0465","0.0377","","","0.0867","0.0912","","","","","","0.963","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109728","13.0221","0.0004","5.768","0.0002","10.4415","0.0003","90","","107.363","0.001","90","","748.54","0.04","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 N2 O2 -","- C7 H12 N2 O2 -","- C28 H48 N8 O8 -","4","0.5","","Amit Choudhary; Charles G. Fry; Kimberli J. Kamer; Ronald T. Raines","An n‒>pi^*^ interaction reduces the electrophilicity of the acceptor carbonyl group","Chem.Commun.","2013","49","","8166","","10.1039/c3cc44573a","","","1.54178","CuKα","","0.0419","0.0416","","","0.1052","0.1058","","","","","","1.194","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109729","6.578","0.0003","6.7134","0.0003","23.3003","0.0011","90","","90","","90","","1028.96","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N2 O4 -","- C9 H14 N2 O4 -","- C36 H56 N8 O16 -","4","1","","Amit Choudhary; Charles G. Fry; Kimberli J. Kamer; Ronald T. Raines","An n‒>pi^*^ interaction reduces the electrophilicity of the acceptor carbonyl group","Chem.Commun.","2013","49","","8166","","10.1039/c3cc44573a","","","0.71073","MoKα","","0.0382","0.0366","","","0.0982","0.0995","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109730","9.8535","0.0003","12.5734","0.0004","10.7133","0.0003","90","","103.496","0.002","90","","1290.64","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H37 N O5 -","- C24 H37 N O5 -","- C48 H74 N2 O10 -","2","1","","Wai-Wing Chan; Zhongyuan Zhou; Wing-Yiu Yu","Palladium-catalyzed oxidative direct C-H/C-H cross coupling of anilides with beta-keto esters","Chem.Commun.","2013","49","","8214","","10.1039/c3cc44769c","","","0.71073","MoKα","","0.0931","0.0515","","","0.1232","0.1471","","","","","","1.003","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109731","22.395","0.004","14.688","0.003","11.2482","0.0019","90","","90","","90","","3700","1.2","93","","93","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C36.37 H58.48 Mn N2 O6.37 -","- C36.373 H58.492 Mn N2 O6.373 -","- C145.492 H233.968 Mn4 N8 O25.492 -","4","1","","Takahiro Kikunaga; Takahiro Matsumoto; Takehiro Ohta; Hidetaka Nakai; Yoshinori Naruta; Kwang-Hyun Ahn; Yoshihito Watanabe; Seiji Ogo","Isolation of a MnIV acylperoxo complex and its monooxidation ability","Chem.Commun.","2013","49","","8356","","10.1039/c3cc43447h","","","0.71075","MoKα","","","0.0408","","","","0.0902","","","","","","0.989","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109732","22.357","0.007","14.738","0.005","11.448","0.004","90","","90","","90","","3772","2","123","","123","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C37 H64 Mn N2 O7 -","- C37 H64 Mn N2 O7 -","- C148 H256 Mn4 N8 O28 -","4","1","","Takahiro Kikunaga; Takahiro Matsumoto; Takehiro Ohta; Hidetaka Nakai; Yoshinori Naruta; Kwang-Hyun Ahn; Yoshihito Watanabe; Seiji Ogo","Isolation of a MnIV acylperoxo complex and its monooxidation ability","Chem.Commun.","2013","49","","8356","","10.1039/c3cc43447h","","","0.71075","MoKα","","","0.0416","","","","0.1124","","","","","","1.04","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109733","11.277","0.006","14.709","0.008","15.454","0.009","103.09","0.01","96.092","0.008","91.91","0.007","2478","2","123.2","","123.2","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Cl2 Mn N2 O7 -","- C50 H64 Cl2 Mn N2 O7 -","- C100 H128 Cl4 Mn2 N4 O14 -","2","1","","Takahiro Kikunaga; Takahiro Matsumoto; Takehiro Ohta; Hidetaka Nakai; Yoshinori Naruta; Kwang-Hyun Ahn; Yoshihito Watanabe; Seiji Ogo","Isolation of a MnIV acylperoxo complex and its monooxidation ability","Chem.Commun.","2013","49","","8356","","10.1039/c3cc43447h","","","0.7107","MoKα","","","0.0665","","","","0.1608","","","","","","0.998","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109734","10.874","0.004","18.405","0.008","25.171","0.011","90","","90","","90","","5038","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 La3 N12 O20 -","- C36 H49 La3 N12 O20 -","- C144 H196 La12 N48 O80 -","4","1","","Rui-Li Sang; Li Xu","Unprecedented infinite lanthanide hydroxide ribbons [Ln\3(mu\3-OH)\3]n^6n+^ in a 3-D metal-organic framework","Chem.Commun.","2013","49","","8344","","10.1039/c3cc44181d","","","0.71073","MoKα","","0.077","0.071","","","0.1633","0.1715","","","","","","1.152","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109735","10.701","0.002","18.247","0.004","25.046","0.006","90","","90","","90","","4890.5","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 N12 Nd3 O20.5 -","- C36 H50 N12 Nd3 O20.5 -","- C144 H200 N48 Nd12 O82 -","4","1","","Rui-Li Sang; Li Xu","Unprecedented infinite lanthanide hydroxide ribbons [Ln\3(mu\3-OH)\3]n^6n+^ in a 3-D metal-organic framework","Chem.Commun.","2013","49","","8344","","10.1039/c3cc44181d","","","0.71073","MoKα","","0.0269","0.0257","","","0.0508","0.0518","","","","","","1.1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109736","10.732","0.002","18.271","0.004","25.052","0.006","90","","90","","90","","4912.3","1.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 N12 O20.5 Pr3 -","- C36 H50 N12 O20.5 Pr3 -","- C144 H200 N48 O82 Pr12 -","4","1","","Rui-Li Sang; Li Xu","Unprecedented infinite lanthanide hydroxide ribbons [Ln\3(mu\3-OH)\3]n^6n+^ in a 3-D metal-organic framework","Chem.Commun.","2013","49","","8344","","10.1039/c3cc44181d","","","0.71073","MoKα","","0.0314","0.0296","","","0.0575","0.0588","","","","","","1.104","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109737","18.142","0.005","21.597","0.005","22.594","0.006","100.614","0.003","106.266","0.003","93.198","0.003","8299","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C163 H186 N16 O19 Si3 -","- C163 H186 N16 O19 Si3 -","- C326 H372 N32 O38 Si6 -","2","1","","Kazuaki Oniwa; Soji Shimizu; Yuta Shiina; Takamitsu Fukuda; Nagao Kobayashi","A mu-oxo hetero dimer of silicon phthalocyanine and naphthalocyanine","Chem.Commun.","2013","49","","8341","","10.1039/c3cc44490b","","","0.71073","MoKα","","0.2408","0.0997","","","0.2453","0.2943","","","","","","0.816","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109738","27.0246","0.0006","27.0246","0.0006","27.0246","0.0006","90","","90","","90","","19736.8","0.8","120","2","120","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C49 H52 Mn1.33 N0.33 O24.26 S4 -","- C48.9997 H52 Mn1.33333 N0.3332 O24.2556 S4 -","- C587.997 H624 Mn16 N3.9984 O291.067 S48 -","12","0.25","","Zhuxiu Zhang; Andrey Drapailo; Yuriy Matvieiev; Lukasz Wojtas; Michael J. Zaworotko","A calixarene based metal organic material, calixMOM, that binds potassium cations","Chem.Commun.","2013","49","","8353","","10.1039/c3cc44687e","","","1.54178","CuKα","","0.1031","0.0973","","","0.2795","0.2916","","","","","","1.125","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109739","27.1849","0.0004","27.1849","0.0004","27.1849","0.0004","90","","90","","90","","20090.2","0.5","120","2","120","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","","","","- C58 H63.33 K1.34 Mn1.33 N3.33 O16.67 S4 -","- C57.9733 H71.28 K1.34 Mn1.33333 N3.33333 O16.64 S4 -","- C695.68 H855.36 K16.08 Mn16 N40 O199.68 S48 -","12","0.25","","Zhuxiu Zhang; Andrey Drapailo; Yuriy Matvieiev; Lukasz Wojtas; Michael J. Zaworotko","A calixarene based metal organic material, calixMOM, that binds potassium cations","Chem.Commun.","2013","49","","8353","","10.1039/c3cc44687e","","","1.54178","CuKα","","0.0941","0.0767","","","0.2","0.2195","","","","","","1.096","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109740","7.31","0.0002","15.1078","0.0005","9.152","0.0003","90","","110.282","0.002","90","","948.06","0.05","115","2","115","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H22 B Fe O P -","- C22 H22 B Fe O P -","- C44 H44 B2 Fe2 O2 P2 -","2","1","","Shinobu Takizawa; Emmanuelle Remond; Fernando Arteaga Arteaga; Yasushi Yoshida; Vellaisamy Sridharan; Jerome Bayardon; Sylvain Juge; Hiroaki Sasai","P-chirogenic organocatalysts: application to the aza-Morita-Baylis-Hillman (aza-MBH) reaction of ketimines","Chem.Commun.","2013","49","","8392","","10.1039/c3cc44549f","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0299","0.0288","","","0.0627","0.0638","","","","","","1.082","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109741","11.0685","0.0007","11.3771","0.0006","12.7949","0.0008","97.447","0.002","91.495","0.002","108.292","0.002","1513.09","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H82 Ge6 -","- C66 H82 Ge6 -","- C66 H82 Ge6 -","1","0.5","","Kimberly D. Roewe; Arnold L. Rheingold; Charles S. Weinert","A luminescent and dichroic hexagermane","Chem.Commun.","2013","49","","8380","","10.1039/c3cc45450a","","","0.71073","MoKα","","0.0244","0.0197","","","0.0472","0.0487","","","","","","1.04","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109742","17.249","0.004","8.0755","0.0017","22.638","0.005","90","","103.615","0.014","90","","3064.7","1.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 B2 F2 N2 S2 -","- C35 H32 B2 F2 N2 S2 -","- C140 H128 B8 F8 N8 S8 -","4","1","","Samir Kumar Sarkar; Pakkirisamy Thilagar","A borane-bithiophene-BODIPY triad: intriguing tricolor emission and selective fluorescence response towards fluoride ions","Chem.Commun.","2013","49","","8558","","10.1039/c3cc42979b","","","0.71073","MoKα","","0.1202","0.0557","","","0.1074","0.1307","","","","","","1.003","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109743","28.266","0.005","15.802","0.005","18.367","0.005","90","0.005","119.599","0.005","90","0.005","7133","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H78 N28 O19 -","- C58 H64 N28 O19 -","- C232 H256 N112 O76 -","4","0.5","","Jun Liang; Xin-Long Wang; Yan-Qing Jiao; Chao Qin; Kui-Zhan Shao; Zhong-Min Su; Qing-Yin Wu","Metal ion directed metal-organic rotaxane frameworks with intrinsic features of self-penetration and interpenetration","Chem.Commun.","2013","49","","8555","","10.1039/c3cc43990a","","","0.71069","MoKα","","0.1569","0.1312","","","0.38","0.4186","","","","","","1.043","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109744","12.485","0.005","17.202","0.005","17.659","0.005","94.549","0.005","93.303","0.005","111.017","0.005","3514","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H81 N26 O23.5 -","- C58 H52.7 N26 O23.5 -","- C116 H105.4 N52 O47 -","2","1","","Jun Liang; Xin-Long Wang; Yan-Qing Jiao; Chao Qin; Kui-Zhan Shao; Zhong-Min Su; Qing-Yin Wu","Metal ion directed metal-organic rotaxane frameworks with intrinsic features of self-penetration and interpenetration","Chem.Commun.","2013","49","","8555","","10.1039/c3cc43990a","","","0.71073","MoKα","","0.2023","0.1483","","","0.422","0.5006","","","","","","1.043","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109745","37.209","0.005","37.083","0.005","23.517","0.005","90","0.005","113.162","0.005","90","0.005","29834","9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C116 H146 Cu N52 O43 -","- C116 H124 Cu N52 O32 -","- C928 H992 Cu8 N416 O256 -","8","1","","Jun Liang; Xin-Long Wang; Yan-Qing Jiao; Chao Qin; Kui-Zhan Shao; Zhong-Min Su; Qing-Yin Wu","Metal ion directed metal-organic rotaxane frameworks with intrinsic features of self-penetration and interpenetration","Chem.Commun.","2013","49","","8555","","10.1039/c3cc43990a","","","0.71069","MoKα","","0.1518","0.07","","","0.1573","0.173","","","","","","1.042","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109746","14.7","0.002","14.7","0.004","13.252","0.003","90","","90","","120","0.003","2480","0.9","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C42.5 H49.5 N6.5 Na2 O20.5 Zn3 -","- C33 H24 N3 Na2 O18 Zn3 -","- C66 H48 N6 Na4 O36 Zn6 -","2","0.333333","","Xing Meng; Xue-Zhi Song; Shu-Yan Song; Guo-Cheng Yang; Min Zhu; Zhao-Min Hao; Shu-Na Zhao; Hong-Jie Zhang","A multifunctional proton-conducting and sensing pillar-layer framework based on [24-MC-6] heterometallic crown clusters","Chem.Commun.","2013","49","","8483","","10.1039/c3cc44106g","","","0.71069","MoKα","","0.0872","0.053","","","0.1174","0.1257","","","","","","0.947","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109747","14.785","0.003","7.12","0.0014","17.076","0.003","90","","108.28","0.03","90","","1706.9","0.6","118","2","118","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","1","","Swagata Banerjee; Jonathan A. Kitchen; Sandra A. Bright; John E. O'Brien; D. Clive Williams; John M. Kelly; Thorfinnur Gunnlaugsson","Synthesis, spectroscopic and biological studies of a fluorescent Pt(II) (terpy) based 1,8-naphthalimide conjugate as a DNA targeting agent","Chem.Commun.","2013","49","","8522","","10.1039/c3cc44962a","","","0.71073","MoKα","","0.0416","0.0402","","","0.1032","0.1044","","","","","","1.118","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109748","35.5267","0.0013","10.0283","0.0004","21.7394","0.0008","90","","101.185","0.002","90","","7598","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H33 N9 O8 Pt -","- C38 H33 N9 O8 Pt -","- C304 H264 N72 O64 Pt8 -","8","1","","Swagata Banerjee; Jonathan A. Kitchen; Sandra A. Bright; John E. O'Brien; D. Clive Williams; John M. Kelly; Thorfinnur Gunnlaugsson","Synthesis, spectroscopic and biological studies of a fluorescent Pt(II) (terpy) based 1,8-naphthalimide conjugate as a DNA targeting agent","Chem.Commun.","2013","49","","8522","","10.1039/c3cc44962a","","","1.54178","CuKα","","0.0666","0.058","","","0.1599","0.1687","","","","","","1.076","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109749","9.2845","0.0006","8.1916","0.0005","19.3256","0.0012","90","","102.541","0.003","90","","1434.74","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 B F4 N -","- C16 H14 B F4 N -","- C64 H56 B4 F16 N4 -","4","1","","Ching-Zong Luo; Parthasarathy Gandeepan; Chien-Hong Cheng","A convenient synthesis of quinolizinium salts through Rh(III) or Ru(II)-catalyzed C-H bond activation of 2-alkenylpyridines","Chem.Commun.","2013","49","","8528","","10.1039/c3cc45004j","","","0.71073","MoKα","","0.0661","0.0506","","","0.1587","0.1863","","","","","","1.103","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109750","7.2675","0.0003","7.9484","0.0004","27.5441","0.0013","82.921","0.002","83.61","0.002","74.824","0.002","1518.69","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 B2 F8 N2 -","- C34 H32 B2 F8 N2 -","- C68 H64 B4 F16 N4 -","2","1","","Ching-Zong Luo; Parthasarathy Gandeepan; Chien-Hong Cheng","A convenient synthesis of quinolizinium salts through Rh(III) or Ru(II)-catalyzed C-H bond activation of 2-alkenylpyridines","Chem.Commun.","2013","49","","8528","","10.1039/c3cc45004j","","","0.71073","MoKα","","0.0708","0.0443","","","0.121","0.1471","","","","","","1.09","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109751","10.592","0.0002","11.1165","0.0002","14.8645","0.0003","89.866","0.001","69.422","0.001","88.073","0.001","1637.55","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 B2 F8 N2 O4 -","- C36 H32 B2 F7.929 N2 O4 -","- C72 H64 B4 F15.858 N4 O8 -","2","1","","Ching-Zong Luo; Parthasarathy Gandeepan; Chien-Hong Cheng","A convenient synthesis of quinolizinium salts through Rh(III) or Ru(II)-catalyzed C-H bond activation of 2-alkenylpyridines","Chem.Commun.","2013","49","","8528","","10.1039/c3cc45004j","","","0.71073","MoKα","","0.0783","0.0514","","","0.1578","0.199","","","","","","1.103","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109752","5.8517","0.0005","16.9278","0.0015","17.4654","0.0015","90","","90","","90","","1730.1","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Br F N O -","- C19 H19 Br F N O -","- C76 H76 Br4 F4 N4 O4 -","4","1","","Ran-Ning Guo; Xian-Feng Cai; Lei Shi; Zhi-Shi Ye; Mu-Wang Chen; Yong-Gui Zhou","An efficient route to chiral N-heterocycles bearing a C-F stereogenic center via asymmetric hydrogenation of fluorinated isoquinolines","Chem.Commun.","2013","49","","8537","","10.1039/c3cc45341c","","","0.71073","MoKα","","0.0602","0.0405","","","0.092","0.1","","","","","","1.002","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109753","8.3723","0.0009","15.8181","0.0016","15.0692","0.0016","90","","104.561","0.007","90","","1931.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Co(bpma)Cl2]","","","- C19 H22 Cl2 Co N4 O -","- C19 H22 Cl2 Co N4 O -","- C76 H88 Cl8 Co4 N16 O4 -","4","1","","Wangkheimayum Marjit Singh; Mohammad Mirmohades; Reuben T. Jane; Travis A. White; Leif Hammarstrom; Anders Thapper; Reiner Lomoth; Sascha Ott","Voltammetric and spectroscopic characterization of early intermediates in the Co(II)-polypyridyl-catalyzed reduction of water","Chem.Commun.","2013","49","","8638","","10.1039/c3cc44655g","","","0.71073","MoKα","","0.0984","0.0573","","","0.1587","0.2394","","","","","","1.131","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109754","10.0834","0.0008","13.2013","0.0011","17.3962","0.0014","90","","97.352","0.002","90","","2296.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H14 F6 O3 -","- C27 H14 F6 O3 -","- C108 H56 F24 O12 -","4","1","","Ming Chen; Jun Liu; Lu Wang; Xiaobo Zhou; Yuanhong Liu","Gold-catalyzed cascade cycloisomerization of 1,7-diyn-3,6-bis(propargyl carbonate)s: stereoselective synthesis of naphtho[b]cyclobutenes","Chem.Commun.","2013","49","","8650","","10.1039/c3cc44757j","","","0.71073","MoKα","","0.0642","0.042","","","0.1155","0.131","","","","","","1.03","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109755","12.115","0.002","13.02","0.003","13.881","0.003","63.642","0.004","67.412","0.004","70.127","0.004","1773","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H28 F6 O6 -","- C42 H28 F6 O6 -","- C84 H56 F12 O12 -","2","1","","Ming Chen; Jun Liu; Lu Wang; Xiaobo Zhou; Yuanhong Liu","Gold-catalyzed cascade cycloisomerization of 1,7-diyn-3,6-bis(propargyl carbonate)s: stereoselective synthesis of naphtho[b]cyclobutenes","Chem.Commun.","2013","49","","8650","","10.1039/c3cc44757j","","","0.71073","MoKα","","0.1092","0.058","","","0.1455","0.173","","","","","","1.015","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109756","12.0222","0.0002","7.2396","0.0001","20.9825","0.0003","90","","106.482","0.001","90","","1751.19","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1H-indol-3-yl)-2,5-diphenyloxazole","","- C23 H16 N2 O -","- C23 H16 N2 O -","- C92 H64 N8 O4 -","4","1","","Elli Chatzopoulou; Paul W. Davies","Highly regioselective synthesis of 2,4,5-(hetero)aryl substituted oxazoles by intermolecular [3+2]-cycloaddition of unsymmetrical internal alkynes","Chem.Commun.","2013","49","","8617","","10.1039/c3cc45410j","","","1.54184","CuKα","","0.0575","0.0525","","","0.1455","0.1537","","","","","","1.057","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109757","8.1843","0.0016","10.679","0.002","21.79","0.004","90","","90","","90","","1904.4","0.6","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H14 Cl N O6 -","- C20 H14 Cl N O6 -","- C80 H56 Cl4 N4 O24 -","4","1","","Xiang Li; Lei Yang; Cheng Peng; Xin Xie; Hai-Jun Leng; Biao Wang; Zheng-Wei Tang; Gu He; Liang Ouyang; Wei Huang; Bo Han","Michael reaction for asymmetric synthesis of a drug-like oxa-spirocyclic indanone scaffold","Chem.Commun.","2013","49","","8692","","10.1039/c3cc44004d","","","0.71073","MoKα","","0.0363","0.034","","","0.0802","0.0819","","","","","","1","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109758","11.1143","0.0015","27.608","0.004","14.148","0.002","90","","109.189","0.011","90","","4100","1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H41 N3 S -","- C54 H41 N3 S -","- C216 H164 N12 S4 -","4","1","","Avijit Ghosh; Way-Zen Lee; Mangalampalli Ravikanth","Unusual formation of thiaisoporphyrins from 21-thiaporphyrins","Chem.Commun.","2013","49","","8677","","10.1039/c3cc44237c","","","0.71073","MoKα","","0.238","0.1029","","","0.2265","0.2911","","","","","","1.024","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109759","10.921","0.003","17.486","0.005","22.22","0.006","90","","102.828","0.013","90","","4137","2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H41 N3 O2 S -","- C54 H41 N3 O2 S -","- C216 H164 N12 O8 S4 -","4","1","","Avijit Ghosh; Way-Zen Lee; Mangalampalli Ravikanth","Unusual formation of thiaisoporphyrins from 21-thiaporphyrins","Chem.Commun.","2013","49","","8677","","10.1039/c3cc44237c","","","0.71073","MoKα","","0.2264","0.0981","","","0.2424","0.3327","","","","","","0.985","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109760","7.6205","0.0002","10.6084","0.0003","24.2862","0.0007","90","","90","","90","","1963.33","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru","Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state","Chem.Commun.","2013","49","","8713","","10.1039/c3cc44281k","","","1.54178","CuKα","","0.0258","0.0252","","","0.064","0.0645","","","","","","1.066","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109761","7.6186","0.0002","10.6097","0.0002","24.3166","0.0005","90","","90","","90","","1965.54","0.08","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C92 H100 N4 O12 -","4","1","","Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru","Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state","Chem.Commun.","2013","49","","8713","","10.1039/c3cc44281k","","","1.54178","CuKα","","0.0258","0.0256","","","0.0658","0.0659","","","","","","1.085","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109762","9.4837","0.0003","11.08","0.0003","11.5198","0.0003","90","","106.749","0.001","90","","1159.14","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C52 H62 N2 O6 -","2","1","","Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru","Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state","Chem.Commun.","2013","49","","8713","","10.1039/c3cc44281k","","","1.54178","CuKα","","0.0566","0.0564","","","0.1436","0.1437","","","","","","1.243","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109763","9.4836","0.0003","11.0788","0.0003","11.527","0.0004","90","","106.817","0.002","90","","1159.31","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C52 H62 N2 O6 -","2","1","","Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru","Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state","Chem.Commun.","2013","49","","8713","","10.1039/c3cc44281k","","","1.54178","CuKα","","0.0538","0.0513","","","0.11","0.1113","","","","","","1.213","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109764","8.4687","0.0003","8.4682","0.0003","14.3425","0.0005","90","","103.349","0.002","90","","1000.78","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 N O3 -","- C23 H25 N O3 -","- C46 H50 N2 O6 -","2","1","","Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru","Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state","Chem.Commun.","2013","49","","8713","","10.1039/c3cc44281k","","","1.54178","CuKα","","0.0321","0.0312","","","0.0827","0.0837","","","","","","1.035","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109765","9.7846","0.0004","12.0025","0.0006","20.5396","0.0009","89.213","0.002","76.836","0.002","78.502","0.002","2300.37","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C104 H124 N4 O12 -","4","2","","Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru","Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state","Chem.Commun.","2013","49","","8713","","10.1039/c3cc44281k","","","1.54178","CuKα","","0.0455","0.0368","","","0.0902","0.0954","","","","","","1.031","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109766","11.5834","0.0004","22.5492","0.0007","11.4549","0.0004","90","","120.314","0.002","90","","2582.89","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H33 N O3 -","- C31 H33 N O3 -","- C124 H132 N4 O12 -","4","1","","Ramya Raghunathan; Elango Kumarasamy; Akila Iyer; Angel Ugrinov; J. Sivaguru","Intramolecular Paterno-Buchi reaction of atropisomeric alpha-oxoamides in solution and in the solid-state","Chem.Commun.","2013","49","","8713","","10.1039/c3cc44281k","","","1.54178","CuKα","","0.1093","0.0695","","","0.1774","0.2325","","","","","","1.188","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109767","9.9695","0.0007","8.1556","0.0006","20.8837","0.0015","90","","99.284","0.007","90","","1675.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H16 N3 O -","- C23 H16 N3 O -","- C92 H64 N12 O4 -","4","1","","Christos P. Constantinides; Emma Carter; Damien M. Murphy; Maria Manoli; Gregory M. Leitus; Michael Bendikov; Jeremy M. Rawsond; Panayiotis A. Koutentis","Spin-triplet excitons in 1,3-diphenyl-7-(fur-2-yl)-1,4-dihydro-1,2,4-benzotriazin-4-yl","Chem.Commun.","2013","49","","8662","","10.1039/c3cc44899a","","","0.71073","MoKα","","0.0576","0.0447","","","0.1179","0.1248","","","","","","1.096","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109768","35.1793","0.0019","9.443","0.0006","16.9347","0.0011","90","","107.282","0.001","90","","5371.7","0.6","260","2","260","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H44 N5 Nb -","- C23 H44 N5 Nb -","- C184 H352 N40 Nb8 -","8","1","","David Elorriaga; Fernando Carrillo-Hermosilla; Antonio Antinolo; Isabel Lopez-Solera; Rafael Fernandez-Galan; Elena Villasenor","Unexpected mild C-N bond cleavage mediated by guanidine coordination to a niobium iminocarbamoyl complex","Chem.Commun.","2013","49","","8701","","10.1039/c3cc44952a","","","0.71073","MoKα","","0.0999","0.0465","","","0.0852","0.102","","","","","","0.954","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109769","6.0329","0.0005","7.7817","0.0007","9.0003","0.0007","115.116","0.008","101.212","0.007","99.162","0.007","361.11","0.06","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H20 N2 O -","- C17 H20 N2 O -","- C17 H20 N2 O -","1","1","","Alberto Hernan-Gomez; Tyne D. Bradley; Alan R. Kennedy; Zoe Livingstone; Stuart D. Robertson; Eva Hevia","Developing catalytic applications of cooperative bimetallics: competitive hydroamination/trimerization reactions of isocyanates catalysed by sodium magnesiates","Chem.Commun.","2013","49","","8659","","10.1039/c3cc45167d","","","0.71073","MoKα","","0.0321","0.0307","","","0.075","0.0761","","","","","","1.026","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109770","9.4286","0.0003","39.1553","0.0019","10.2035","0.0003","90","","97.029","0.003","90","","3738.6","0.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Mg N3 Na O2 -","- C44.004 H46 Mg N3 Na O2.001 -","- C176.016 H184 Mg4 N12 Na4 O8.004 -","4","1","","Alberto Hernan-Gomez; Tyne D. Bradley; Alan R. Kennedy; Zoe Livingstone; Stuart D. Robertson; Eva Hevia","Developing catalytic applications of cooperative bimetallics: competitive hydroamination/trimerization reactions of isocyanates catalysed by sodium magnesiates","Chem.Commun.","2013","49","","8659","","10.1039/c3cc45167d","","","0.71073","MoKα","","0.0784","0.0546","","","0.109","0.1201","","","","","","1.027","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109771","20.8559","0.0006","20.8559","0.0006","11.8574","0.0004","90","","90","","120","","4466.6","0.2","123","2","123","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C63 H81 Mg N6 Na O6 -","- C63 H81 Mg N6 Na O6 -","- C189 H243 Mg3 N18 Na3 O18 -","3","0.333333","","Alberto Hernan-Gomez; Tyne D. Bradley; Alan R. Kennedy; Zoe Livingstone; Stuart D. Robertson; Eva Hevia","Developing catalytic applications of cooperative bimetallics: competitive hydroamination/trimerization reactions of isocyanates catalysed by sodium magnesiates","Chem.Commun.","2013","49","","8659","","10.1039/c3cc45167d","","","0.71073","MoKα","","0.0389","0.0344","","","0.086","0.087","","","","","","1.077","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109772","12.6655","0.0019","12.6655","0.0019","26.761","0.005","90","","90","","120","","3717.7","1.1","123","2","123","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C144 H126 N18 O18 -","6","0.333333","","Alberto Hernan-Gomez; Tyne D. Bradley; Alan R. Kennedy; Zoe Livingstone; Stuart D. Robertson; Eva Hevia","Developing catalytic applications of cooperative bimetallics: competitive hydroamination/trimerization reactions of isocyanates catalysed by sodium magnesiates","Chem.Commun.","2013","49","","8659","","10.1039/c3cc45167d","","","0.71073","MoKα","","0.061","0.0511","","","0.1362","0.1443","","","","","","1.028","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109773","17.997","0.002","18.266","0.002","14.8576","0.0016","90","","90","","90","","4884.2","0.9","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C35 H61 N3 O Si2 Zn -","- C35 H61 N3 O Si2 Zn -","- C140 H244 N12 O4 Si8 Zn4 -","4","1","","Haobing Wang; Haiyan Ma","Highly diastereoselective synthesis of chiral aminophenolate zinc complexes and isoselective polymerization of rac-lactide","Chem.Commun.","2013","49","","8686","","10.1039/c3cc44980g","","","0.71073","MoKα","","0.1528","0.0653","","","0.1456","0.1742","","","","","","0.808","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109774","19.5766","0.0007","19.5766","0.0007","13.6033","0.0007","90","","90","","90","","5213.4","0.4","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C49 H65 N3 O Si2 Zn -","- C49 H65 N3 O Si2 Zn -","- C196 H260 N12 O4 Si8 Zn4 -","4","1","","Haobing Wang; Haiyan Ma","Highly diastereoselective synthesis of chiral aminophenolate zinc complexes and isoselective polymerization of rac-lactide","Chem.Commun.","2013","49","","8686","","10.1039/c3cc44980g","","","0.71073","MoKα","","0.0757","0.0506","","","0.1118","0.1203","","","","","","0.94","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109775","26.943","0.003","13.5555","0.0012","17.9722","0.0016","90","","100.167","0.002","90","","6460.8","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 Cl2 N3 O Si2 Zn -","- C27 H43 Cl2 N3 O Si2 Zn -","- C216 H344 Cl16 N24 O8 Si16 Zn8 -","8","2","","Haobing Wang; Haiyan Ma","Highly diastereoselective synthesis of chiral aminophenolate zinc complexes and isoselective polymerization of rac-lactide","Chem.Commun.","2013","49","","8686","","10.1039/c3cc44980g","","","0.71073","MoKα","","0.1882","0.1523","","","0.3275","0.3425","","","","","","1.14","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109776","9.095","0.002","26.61","0.007","11.307","0.003","90","","110.389","0.014","90","","2565.1","1.1","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C74 H48 N2 -","- C74 H48 N2 -","- C148 H96 N4 -","2","0.5","","Baglai, Iaroslav; Maraval, Valérie; Bijani, Christian; Saffon-Merceron, Nathalie; Voitenko, Zoia; Volovenko, Yulian M.; Chauvin, Remi","Enhanced π-frustration in carbo-benzenic chromophores","Chemical Communications (Cambridge, United Kingdom)","2013","49","75","8374","8376","10.1039/c3cc43204a","","","0.71073","MoKα","","0.1355","0.0596","","","0.1265","0.1572","","","","","","1.005","","","","has coordinates","210985","2020-10-21","18:00:00",""
"7109777","12.939","0.006","15.04","0.007","18.094","0.008","80.329","0.019","78.847","0.018","74.329","0.018","3301","3","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C79.5 H51.5 Cl6.5 N2 -","- C79.5 H51.5 Cl6.5 N2 -","- C159 H103 Cl13 N4 -","2","1","","Baglai, Iaroslav; Maraval, Valérie; Bijani, Christian; Saffon-Merceron, Nathalie; Voitenko, Zoia; Volovenko, Yulian M.; Chauvin, Remi","Enhanced π-frustration in carbo-benzenic chromophores","Chemical Communications (Cambridge, United Kingdom)","2013","49","75","8374","8376","10.1039/c3cc43204a","","","0.71073","MoKα","","0.2177","0.0884","","","0.2237","0.2965","","","","","","0.989","","","","has coordinates,has disorder","210985","2020-10-21","18:00:00",""
"7109778","15.223","0.0003","7.6173","0.0002","20.9299","0.0004","90","","93.844","0.001","90","","2421.53","0.09","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Au B F4 N2 -","- C30 H20 Au B F4 N2 -","- C120 H80 Au4 B4 F16 N8 -","4","1","","Hok-Ming Ko; Karen Ka-Yan Kung; Jian-Fang Cui; Man-Kin Wong","Bis-cyclometallated gold(III) complexes as efficient catalysts for synthesis of propargylamines and alkylated indoles","Chem.Commun.","2013","49","","8869","","10.1039/c3cc44828b","","","0.71073","MoKα","","0.0628","0.0529","","","0.1556","0.1627","","","","","","1.003","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109779","8.7241","0.0017","23.084","0.004","9.0051","0.0017","90","","113.665","0.003","90","","1661","0.5","158","2","158","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H32 N2 O6 S -","- C40 H32 N2 O6 S -","- C80 H64 N4 O12 S2 -","2","1","","Wen Yang; Da-Ming Du","Cinchona-based squaramide-catalysed cascade aza-Michael-Michael addition: enantioselective construction of functionalized spirooxindole tetrahydroquinolines","Chem.Commun.","2013","49","","8842","","10.1039/c3cc44930k","","","0.71073","MoKα","","0.0422","0.0398","","","0.0927","0.0947","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7109780","12.483","0.003","15.134","0.003","11.714","0.002","90","","93.92","0.03","90","","2207.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 O3 Si -","- C21 H36 O3 Si -","- C84 H144 O12 Si4 -","4","1","","Li-Li Shi; Hong-Juan Shen; Li-Chao Fang; Jun Huang; Chuang-Chuang Li; Zhen Yang","Development of an expedient intramolecular Pauson-Khand reaction approach to stereoselectively construct the trans-decalin with a C1 quaternary chiral center","Chem.Commun.","2013","49","","8806","","10.1039/c3cc45170d","","","0.71073","MoKα","","0.2563","0.1366","","","0.3827","0.4341","","","","","","1.126","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109781","14.2852","0.0007","11.1485","0.0006","21.5737","0.0008","90","","129.284","0.002","90","","2659.4","0.2","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cu4 I4 S3 -","- C12 H30 Cu4 I4 S3 -","- C48 H120 Cu16 I16 S12 -","4","1","","Antony Lapprand; Antoine Bonnot; Michael Knorr; Youann Rousselin; Marek M. Kubicki; Daniel Fortin","Formation of an unprecedented (CuBr)5 cluster and a zeolite-type 2D-coordination polymer: a surprising halide effect","Chem.Commun.","2013","49","","8848","","10.1039/c3cc45284k","","","0.71073","MoKα","","0.0719","0.0412","","","0.0957","0.115","","","","","","1.078","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109782","10.549","0.0006","13.509","0.0006","22.1288","0.0012","88.464","0.002","79.809","0.002","77.017","0.001","3024.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H60 Br10 Cu10 S6 -","- C24 H60 Br10 Cu10 S6 -","- C48 H120 Br20 Cu20 S12 -","2","1","","Antony Lapprand; Antoine Bonnot; Michael Knorr; Youann Rousselin; Marek M. Kubicki; Daniel Fortin","Formation of an unprecedented (CuBr)5 cluster and a zeolite-type 2D-coordination polymer: a surprising halide effect","Chem.Commun.","2013","49","","8848","","10.1039/c3cc45284k","","","1.54178","CuKα","","0.0866","0.0728","","","0.1688","0.1747","","","","","","1.184","","","","has coordinates,has disorder","180203","2020-10-21","18:00:00",""
"7109783","12.466","0.0012","26.573","0.002","14.9037","0.0014","90","","109.321","0.002","90","","4658.9","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 Co N4 O5 S4 -","- C45 H50 Co N4 O5 S4 -","- C180 H200 Co4 N16 O20 S16 -","4","1","","Deng-Ke Cao; Jia-Qi Feng; Min Ren; Yan-Wei Gu; You Song; Michael D. Ward","A mononuclear cobalt(II)-dithienylethene complex showing slow magnetic relaxation and photochromic behavior","Chem.Commun.","2013","49","","8863","","10.1039/c3cc45315d","","","0.71073","MoKα","","0.0682","0.0449","","","0.1248","0.1406","","","","","","1.028","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109784","8.67","0.0003","9.402","0.0003","12.416","0.0003","79.878","0.002","84.754","0.002","70.462","0.002","938.39","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N4 O2 Sn -","- C14 H30 N4 O2 Sn -","- C28 H60 N8 O4 Sn2 -","2","1","","Michael S.Hill; Thomas Wildsmith; Andrew L. Johnson; Andrew J. Kingsley; Kieran C. Molloy","Exclusive formation of SnO by low temperature single-source AACVD","Chem.Commun.","2013","49","","8773","","10.1039/c3cc45676e","","","0.71073","MoKα","","0.0272","0.0228","","","0.0539","0.0556","","","","","","1.044","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109785","10.7642","0.0005","20.7043","0.0012","22.5542","0.0012","90","","96.087","0.003","90","","4998.2","0.5","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Cl6 Co N7 O3 -","- C52 H40 Cl6 Co N7 O3 -","- C208 H160 Cl24 Co4 N28 O12 -","4","1","","Katsunori Yamanishi; Takeshi Yairi; Keisuke Suzuki; Mitsuru Kondo","Biomimic O2 activation hydroxylates a meso-carbon of the porphyrin ring regioselectively under mild conditions","Chem.Commun.","2013","49","","9296","","10.1039/c3cc44558e","","","0.7107","MoKα","","","0.0777","","","","0.1395","","","","","","1.002","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109786","12.8101","0.0002","12.8936","0.0001","21.8022","0.001","87.933","0.005","80.665","0.005","62.769","0.003","3156.53","0.19","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C63.25 H55 Cl9.75 Co N7 O3 -","- C63.25 H55 Cl9.75 Co N7 O3 -","- C126.5 H110 Cl19.5 Co2 N14 O6 -","2","1","","Katsunori Yamanishi; Takeshi Yairi; Keisuke Suzuki; Mitsuru Kondo","Biomimic O2 activation hydroxylates a meso-carbon of the porphyrin ring regioselectively under mild conditions","Chem.Commun.","2013","49","","9296","","10.1039/c3cc44558e","","","0.7107","MoKα","","","0.057","","","","0.1185","","","","","","1.108","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109787","5.7763","0.0013","16.159","0.004","13.284","0.003","90","","95.205","0.004","90","","1234.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 F3 I O3 -","- C11 H10 F3 I O3 -","- C44 H40 F12 I4 O12 -","4","1","","Gemma C. Geary; Eric G. Hope; Kuldip Singh; Alison M. Stuart","Electrophilic fluorination using a hypervalent iodine reagent derived from fluoride","Chem.Commun.","2013","49","","9263","","10.1039/c3cc44792h","","","0.71073","MoKα","","0.0403","0.0375","","","0.0918","0.0938","","","","","","1.076","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109788","8.2948","0.0018","10.663","0.002","18.336","0.004","90","","101.233","0.004","90","","1590.7","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 I O4 S -","- C16 H17 I O4 S -","- C64 H68 I4 O16 S4 -","4","1","","Gemma C. Geary; Eric G. Hope; Kuldip Singh; Alison M. Stuart","Electrophilic fluorination using a hypervalent iodine reagent derived from fluoride","Chem.Commun.","2013","49","","9263","","10.1039/c3cc44792h","","","0.71073","MoKα","","0.0278","0.0253","","","0.0608","0.062","","","","","","1.057","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109789","41.814","0.008","8.942","0.0016","22.936","0.005","90","","105.692","0.004","90","","8256","3","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 F12 N6 P2 Pb S2 -","- C32 H40 F12 N6 P2 Pb S2 -","- C256 H320 F96 N48 P16 Pb8 S16 -","8","1","","Wang, Fan; Ni, Chun-Yan; Liu, Quan; Li, Fu-Ling; Shi, Jing; Li, Hong-Xi; Lang, Jian-Ping","[Pb(Tab)2(4,4'-bipy)](PF6)2: two-step ambient temperature quantitative solid-state synthesis, structure and dielectric properties","Chemical Communications (Cambridge, United Kingdom)","2013","49","81","9248","9250","10.1039/c3cc45066j","","","0.7107","MoKα","","0.051","0.0462","","","0.0985","0.1004","","","","","","1.174","","","","has coordinates,has disorder","210993","2020-10-21","18:00:00",""
"7109790","7.95229","0.00013","16.6978","0.0003","20.281","0.0004","90","","90.4896","0.0017","90","","2692.93","0.08","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O6 S2 -","- C29 H30 N2 O6 S2 -","- C116 H120 N8 O24 S8 -","4","1","","Donald Craig; Frederick W. Goldberg; Richard W. Pett; Niels T. H. Tholen; Andrew J. P. White","Aziridine-based concise synthesis of (+/-)-alstonerine","Chem.Commun.","2013","49","","9275","","10.1039/c3cc45543b","","","0.71073","MoKα","","0.053","0.0394","","","0.0933","0.0998","","","","","","1.051","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109791","9.7991","0.0003","12.5139","0.0006","12.5365","0.0004","71.755","0.004","73.837","0.003","70.745","0.004","1351.78","0.1","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 N2 O6 S2 -","- C29 H30 N2 O6 S2 -","- C58 H60 N4 O12 S4 -","2","1","","Donald Craig; Frederick W. Goldberg; Richard W. Pett; Niels T. H. Tholen; Andrew J. P. White","Aziridine-based concise synthesis of (+/-)-alstonerine","Chem.Commun.","2013","49","","9275","","10.1039/c3cc45543b","","","0.71073","MoKα","","0.056","0.042","","","0.111","0.1195","","","","","","1.055","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109792","18.456","0.003","14.233","0.002","12.5508","0.0019","90","","90","","90","","3296.9","0.9","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H47 O2 P3 Pd -","- C32 H47 O2 P3 Pd -","- C128 H188 O8 P12 Pd4 -","4","1","","Chen, Tieqiao; Guo, Cancheng; Goto, Midori; Han, Li-Biao","A Brønsted acid-catalyzed generation of palladium complexes: efficient head-to-tail dimerization of alkynes","Chemical Communications (Cambridge, United Kingdom)","2013","49","68","7498","7500","10.1039/c3cc43131b","","","0.71073","MoKα","","0.0279","0.0241","","","0.0591","0.061","","","","","","1.022","","","","has coordinates","210990","2020-10-21","18:00:00",""
"7109793","11.7501","0.0014","14.1473","0.0017","18.6","0.002","90","","101.676","0.001","90","","3027.9","0.6","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H46 O2 P2 Pd -","- C30 H46 O2 P2 Pd -","- C120 H184 O8 P8 Pd4 -","4","1","","Chen, Tieqiao; Guo, Cancheng; Goto, Midori; Han, Li-Biao","A Brønsted acid-catalyzed generation of palladium complexes: efficient head-to-tail dimerization of alkynes","Chemical Communications (Cambridge, United Kingdom)","2013","49","68","7498","7500","10.1039/c3cc43131b","","","0.71073","MoKα","","0.1051","0.0607","","","0.0701","0.0777","","","","","","1.255","","","","has coordinates","210990","2020-10-21","18:00:00",""
"7109794","8.2208","0.0006","14.718","0.0011","14.2654","0.0011","90","","91.533","0.001","90","","1725.4","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C2.5 H10 Al3 Mg N O17.5 P4 -","- C2.5 Al3 Mg N O17.5 P4 -","- C10 Al12 Mg4 N4 O70 P16 -","4","1","","Yanyan Wang; Yi Li; Yan Yan; Jun Xu; Buyuan Guan; Qiang Wang; Jiyang Li; Jihong Yu","Luminescent carbon dots in a new magnesium aluminophosphate zeolite","Chem.Commun.","2013","49","","9006","","10.1039/c3cc43375g","","","0.71073","MoKα","","0.0666","0.0483","","","0.1324","0.1457","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109795","8.4084","0.0005","14.4558","0.0009","16.3592","0.0008","90","","120.037","0.002","90","","1721.42","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2.5 H7 Al3 Mg N O16 P4 -","- C2.5 Al3 Mg N O16 P4 -","- C10 Al12 Mg4 N4 O64 P16 -","4","1","","Yanyan Wang; Yi Li; Yan Yan; Jun Xu; Buyuan Guan; Qiang Wang; Jiyang Li; Jihong Yu","Luminescent carbon dots in a new magnesium aluminophosphate zeolite","Chem.Commun.","2013","49","","9006","","10.1039/c3cc43375g","","","0.71073","MoKα","","0.0578","0.0434","","","0.1101","0.1166","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109796","13.4792","0.0019","16.843","0.002","11.8341","0.0017","90","","107.838","0.002","90","","2557.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Br N3 O4 -","- C25 H36 Br N3 O4 -","- C100 H144 Br4 N12 O16 -","4","1","","Suman Kumar Maity; Santu Bera; Arpita Paikar; Apurba Pramanik; Debasish Haldar","Halogen bond induced phosphorescence of capped gamma-amino acid in the solid state","Chem.Commun.","2013","49","","9051","","10.1039/c3cc44231d","","","0.71073","MoKα","","0.0516","0.0364","","","0.0846","0.0914","","","","","","1.038","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109797","13.649","0.013","16.921","0.016","12.008","0.012","90","","108.526","0.015","90","","2630","4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Br N3 O4 -","- C25 H36 Br N3 O4 -","- C100 H144 Br4 N12 O16 -","4","1","","Suman Kumar Maity; Santu Bera; Arpita Paikar; Apurba Pramanik; Debasish Haldar","Halogen bond induced phosphorescence of capped gamma-amino acid in the solid state","Chem.Commun.","2013","49","","9051","","10.1039/c3cc44231d","","","0.71073","MoKα","","0.1519","0.0526","","","0.0924","0.1191","","","","","","1.015","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109798","8.6444","0.0015","15.088","0.003","15.404","0.003","90","","90","","90","","2009.1","0.7","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N5 O3 -","- C20 H25 N5 O3 -","- C80 H100 N20 O12 -","4","1","","Yan, Xiao-Sheng; Wu, Kun; Yuan, Yuan; Zhan, Ying; Wang, Jin-He; Li, Zhao; Jiang, Yun-Bao","β-Turn structure in glycinylphenylalanine dipeptide based N-amidothioureas","Chemical Communications (Cambridge, United Kingdom)","2013","49","79","8943","8945","10.1039/c3cc44336a","","","0.71073","MoKα","","0.047","0.0443","","","0.1172","0.1193","","","","","","1.033","","","","has coordinates","211022","2020-10-21","18:00:00",""
"7109799","12.998","0.001","17.4118","0.0013","18.0236","0.0014","90","","98.188","0.002","90","","4037.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H29 B9 N Ta -","- C9 H29 B9 N Ta -","- C72 H232 B72 N8 Ta8 -","8","2","","Li Xiang; Kazushi Mashima; Zuowei Xie","Reaction of [eta^1^:eta^5^-(Me2NCH2CH2)C2B9H10]TaMe3 with aryl isonitriles: tantallacarborane-mediated facile cleavage of C-N multiple bonds","Chem.Commun.","2013","49","","9039","","10.1039/c3cc44446e","","","0.71073","MoKα","","0.0313","0.0246","","","0.0594","0.0613","","","","","","1.057","","","","has coordinates","180203","2020-10-21","18:00:00",""
"7109800","14.7587","0.0018","18.933","0.003","19.809","0.003","90","","90","","90","","5535.2","1.4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H42 B9 N2 O Ta -","- C21 H42 B9 N2 O Ta -","- C168 H336 B72 N16 O8 Ta8 -","8","1","","Li Xiang; Kazushi Mashima; Zuowei Xie","Reaction of [eta^1^:eta^5^-(Me2NCH2CH2)C2B9H10]TaMe3 with aryl isonitriles: tantallacarborane-mediated facile cleavage of C-N multiple bonds","Chem.Commun.","2013","49","","9039","","10.1039/c3cc44446e","","","0.71073","MoKα","","0.0745","0.0512","","","0.1389","0.183","","","","","","1.299","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109801","8.8958","0.0007","10.8119","0.0009","18.1883","0.0014","92.057","0.002","100.241","0.001","90.513","0.001","1720.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H51 B9 N3 Ta -","- C30.5 H50.5 B9 N3 Ta -","- C61 H101 B18 N6 Ta2 -","2","1","","Li Xiang; Kazushi Mashima; Zuowei Xie","Reaction of [eta^1^:eta^5^-(Me2NCH2CH2)C2B9H10]TaMe3 with aryl isonitriles: tantallacarborane-mediated facile cleavage of C-N multiple bonds","Chem.Commun.","2013","49","","9039","","10.1039/c3cc44446e","","","0.71073","MoKα","","0.0364","0.0339","","","0.0874","0.092","","","","","","1.08","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109802","22.28","0.002","20.1642","0.0018","20.6296","0.0019","90","","111.047","0.002","90","","8649.7","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H59 B9 N3 O0.25 Ta -","- C33 H59 B9 N3 O0.25 Ta -","- C264 H472 B72 N24 O2 Ta8 -","8","2","","Li Xiang; Kazushi Mashima; Zuowei Xie","Reaction of [eta^1^:eta^5^-(Me2NCH2CH2)C2B9H10]TaMe3 with aryl isonitriles: tantallacarborane-mediated facile cleavage of C-N multiple bonds","Chem.Commun.","2013","49","","9039","","10.1039/c3cc44446e","","","0.71073","MoKα","","0.0875","0.0533","","","0.1538","0.1701","","","","","","1.01","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109803","26.855","0.004","26.855","0.004","38.127","0.008","90","","90","","90","","27497","8","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C27 H22.25 N6 O17.13 Zn3 -","- C27 H12 N6 O17.125 Zn3 -","- C432 H192 N96 O274 Zn48 -","16","1","","Dingxuan Ma; Baiyan Li; Xiaojing Zhou; Qi Zhou; Kang Liu; Guang Zeng; Guanghua Li; Zhan Shi; Shouhua Feng","A dual functional MOF as a luminescent sensor for quantitatively detecting the concentration of nitrobenzene and temperature","Chem.Commun.","2013","49","","8964","","10.1039/c3cc44546a","","","0.71073","MoKα","","0.0865","0.0574","","","0.159","0.17","","","","","","1.034","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109804","9.3059","0.0002","24.7965","0.0005","14.9207","0.0003","90","","109.972","0.001","90","","3235.94","0.12","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H43 B2 F4 N3 -","- C36 H43 B2 F4 N3 -","- C144 H172 B8 F16 N12 -","4","2","","Daiki Kuzuhara; ZhaoLi Xue; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Naoki Aratani; Hiroko Yamada","Synthesis and properties of boron complexes of [14]triphyrins(2.1.1)","Chem.Commun.","2013","49","","8955","","10.1039/c3cc44788j","","","0.71075","MoKα","","0.0687","0.0489","","","0.1123","0.1238","","","","","","1.043","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109805","18.9212","0.0003","21.265","0.0003","13.7069","0.0002","90","","90","","90","","5515.1","0.14","103","2","103","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C61 H40 B2 Cl9 F4 N3 -","- C61 H40 B2 Cl9 F4 N3 -","- C244 H160 B8 Cl36 F16 N12 -","4","0.5","","Daiki Kuzuhara; ZhaoLi Xue; Shigeki Mori; Tetsuo Okujima; Hidemitsu Uno; Naoki Aratani; Hiroko Yamada","Synthesis and properties of boron complexes of [14]triphyrins(2.1.1)","Chem.Commun.","2013","49","","8955","","10.1039/c3cc44788j","","","0.71075","MoKα","","0.0737","0.0561","","","0.1422","0.154","","","","","","1.06","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109806","20.732","0.002","24.908","0.002","28.82","0.003","90","","104.276","0.003","90","","14423","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Benzo-TTF-Hexaphyrin","","","- C122.5 H46.7 Cl5.1 F30 N6 O1.7 S24 -","- C114 H28 F30 N6 S24 -","- C456 H112 F120 N24 S96 -","4","0.5","","Atanu Jana; Masatoshi Ishida; Kevin Cho; Sudip Kumar Ghosh; Kyuju Kwak; Kei Ohkubo; Young Mo Sung; Christina M. Davis; Vincent M. Lynch; Dongil Lee; Shunichi Fukuzumi; Dongho Kim; Jonathan L. Sessle","Tetrathiafulvalene-annulated [28]hexaphyrin(1.1.1.1.1.1): a multi-electron donor system subject to conformational control","Chem.Commun.","2013","49","","8937","","10.1039/c3cc44934c","","","0.71075","MoKα","","0.1224","0.08","","","0.2103","0.2338","","","","","","0.985","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109807","17.149","0.0003","17.149","0.0003","20.7268","0.0009","90","","90","","90","","6095.5","0.3","173","2","173","2","","","","","","","","7","I 4/m","-I 4","87","","μ-Hexafluorosilicato-tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-dimethanol-dicopper(II) hexafluorosilicate, solvate with 3 methanol","","- C61 H60 Cu2 F12 N16 O5 Si2 -","- C58 H48 Cu2 F12 N16 O2 Si2 -","- C232 H192 Cu8 F48 N64 O8 Si8 -","4","0.25","","Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch","Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds","Chem.Commun.","2013","49","","9018","","10.1039/c3cc45271a","","","0.71073","MoKα","","0.06","0.0415","","","0.099","0.1048","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109808","17.1776","0.0008","17.1776","0.0008","20.715","0.002","90","","90","","90","","6112.4","0.7","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","μ-[Hexafluorosilicato/Hexafluorogermanate 0.93:0.07]- tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-dimethanol-dicopper(II) Hexafluorosilicate/Hexafluorogermanate 0.67:0.33, solvate with 3 methanol","","- C61 H60 Cu2 F12 Ge0.4 N16 O5 Si1.6 -","- C58 H48 Cu2 F12 Ge0.402 N16 O2 Si1.598 -","- C232 H192 Cu8 F48 Ge1.608 N64 O8 Si6.392 -","4","0.25","","Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch","Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds","Chem.Commun.","2013","49","","9018","","10.1039/c3cc45271a","","","0.71073","MoKα","","0.075","0.0407","","","0.0863","0.0944","","","","","","0.977","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109809","17.2531","0.0003","17.2531","0.0003","20.5377","0.001","90","","90","","90","","6113.4","0.3","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","μ-[Hexafluorosilicato/Hexafluorogermanato 0.89:0.11]- tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-dimethanol-dicopper(II) Hexafluorosilicate/Hexafluorogermanate 0.38:0.62, solvate with 3 methanol","","- C61 H60 Cu2 F12 Ge0.73 N16 O5 Si1.27 -","- C58 H48 Cu2 F12 Ge0.729 N16 O2 Si1.271 -","- C232 H192 Cu8 F48 Ge2.916 N64 O8 Si5.084 -","4","0.25","","Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch","Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds","Chem.Commun.","2013","49","","9018","","10.1039/c3cc45271a","","","0.71073","MoKα","","0.0846","0.0458","","","0.0916","0.1016","","","","","","0.96","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109810","17.2903","0.0003","17.2903","0.0003","20.544","0.001","90","","90","","90","","6141.7","0.3","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","μ-Hexafluorosilicato-tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-dimethanol-dicopper(II) Hexafluorosilicate/Hexafluorostannate(IV) 0.50:0.50, solvate with 3 methanol","","- C61 H60 Cu2 F12 N16 O5 Si1.5 Sn0.5 -","- C58 H48 Cu2 F12 N16 O2 Si1.496 Sn0.504 -","- C232 H192 Cu8 F48 N64 O8 Si5.984 Sn2.016 -","4","0.25","","Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch","Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds","Chem.Commun.","2013","49","","9018","","10.1039/c3cc45271a","","","0.71073","MoKα","","0.0803","0.05","","","0.1363","0.1513","","","","","","1.143","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109811","17.3756","0.0004","17.3756","0.0004","20.5964","0.0009","90","","90","","90","","6218.3","0.3","173","2","173","2","","","","","","","","8","I 4/m","-I 4","87","","μ-[Hexafluorosilicato-tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-dimethanol-dicopper(II) Hexafluorosilicate/Hexafluorostannate(IV) 0.21:0.79, solvate with 3 methanol","","- C61 H60 Cu2 F12 N16 O5 Si1.21 Sn0.79 -","- C58 H48 Cu2 F12 N16 O2 Si1.209 Sn0.791 -","- C232 H192 Cu8 F48 N64 O8 Si4.836 Sn3.164 -","4","0.25","","Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch","Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds","Chem.Commun.","2013","49","","9018","","10.1039/c3cc45271a","","","0.71073","MoKα","","0.0499","0.0354","","","0.0805","0.0849","","","","","","1.081","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109812","12.612","0.0009","12.6185","0.0007","25.342","0.002","90","","99.262","0.009","90","","3980.5","0.5","213","2","213","2","","","","","","","","9","P 1 2/n 1","-P 2yac","13","","μ-Hexafluorosilicato-tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-diaquadicopper(II) bis-hexafluorophosphate, solvate with 4 chloroform","","- C60 H48 Cl12 Cu2 F18 N16 O2 P2 Si -","- C56 H44 Cu2 F18 N16 O2 P2 Si -","- C112 H88 Cu4 F36 N32 O4 P4 Si2 -","2","0.5","","Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch","Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds","Chem.Commun.","2013","49","","9018","","10.1039/c3cc45271a","","","0.71073","MoKα","","0.0667","0.0482","","","0.1224","0.1268","","","","","","0.845","","","","has coordinates","288505","2023-12-22","15:12:03",""
"7109813","12.8708","0.0006","12.5785","0.0005","50.263","0.002","90","","93.272","0.003","90","","8124.1","0.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","μ-Hexafluorosilicato-tetrakis[μ-1,3-bis(pyridazin-4-yl)benzene- κ^2^N^2^:N^2'^]-aqua-methanoldicopper(II) bis-perchlorate, solvate with 5.5 chloroform","","- C62.5 H51.5 Cl18.5 Cu2 F6 N16 O10 Si -","- C62.5 H51.5 Cl18.5 Cu2 F6 N16 O10 Si -","- C250 H206 Cl74 Cu8 F24 N64 O40 Si4 -","4","1","","Anna S. Degtyarenko; Eduard B. Rusanov; Antonio Bauza; Antonio Frontera; Harald Krautscheid; Alexander N. Chernega; Andriy A. Mokhire; Konstantin V. Domasevitch","Self-assembly cavitand precisely recognizing hexafluorosilicate: a concerted action of two coordination and twelve CHF bonds","Chem.Commun.","2013","49","","9018","","10.1039/c3cc45271a","","","0.71073","MoKα","","0.1395","0.0793","","","0.1639","0.1834","","","","","","1.027","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"7109814","14.6717","0.0005","14.8353","0.0006","16.5591","0.0006","96.224","0.003","109.497","0.003","113.712","0.004","2985.3","0.2","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","{[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyl}-tin- [1,3-bis(tert-butyl)imidazol-4-ylidene] sulfide diacetonitrile solvate","","- C118 H164 B2 N6 O12 P4 S2 Sn2 -","- C118 H164 B2 N6 O12 P4 S2 Sn2 -","- C118 H164 B2 N6 O12 P4 S2 Sn2 -","1","0.5","","Michael Wagner; Thomas Zoller; Wolf Hiller; Marc H. Prosenc; Klaus Jurkschat","NHC to aNHC rearrangement by an organotin sulphide cation","Chem.Commun.","2013","49","","8925","","10.1039/c3cc45687k","","","0.71073","MoKα","","0.0345","0.0279","","","0.0737","0.0759","","","","","","1.144","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109815","15.1046","0.0004","15.2266","0.0005","15.952","0.0004","75.857","0.002","81.874","0.002","70.11","0.002","3338.57","0.17","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","{[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyl}-tin- [1,3-bis(tert-butyl)imidazol-4-ylidene]sulfide tetratetrahydrofurane solvate","","- C130 H190 B2 N4 O16 P4 S2 Sn2 -","- C114 H158 B2 N4 O12 P4 S2 Sn2 -","- C114 H158 B2 N4 O12 P4 S2 Sn2 -","1","0.5","","Michael Wagner; Thomas Zoller; Wolf Hiller; Marc H. Prosenc; Klaus Jurkschat","NHC to aNHC rearrangement by an organotin sulphide cation","Chem.Commun.","2013","49","","8925","","10.1039/c3cc45687k","","","0.71073","MoKα","","0.0374","0.0311","","","0.0904","0.0943","","","","","","1.079","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109816","10.9067","0.001","19.265","0.002","19.688","0.002","90","","90","","90","","4136.8","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ph2N-BCl2-IPr","Diphenylaminodichloroborane-1,3-Bis (2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene","","- C46 H54 B Cl2 N3 -","- C46 H54 B Cl2 N3 -","- C184 H216 B4 Cl8 N12 -","4","1","","Naomi E. Stubbs; Titel Jurca; Erin M. Leitao; Christopher H. Woodall; Ian Manners","Polyaminoborane main chain scission using N-heterocyclic carbenes; formation of donor-stabilised monomeric aminoboranes","Chem.Commun.","2013","49","","9098","","10.1039/c3cc44373f","","","0.71073","MoKα","","0.0548","0.0385","","","0.0824","0.0887","","","","","","1.03","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109817","22.579","0.007","4.8945","0.0014","22.195","0.007","90","","110.56","0.004","90","","2296.6","1.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 O8 -","- C22 H30 O8 -","- C88 H120 O32 -","4","0.5","","Chuanling Song; Di Sun; Xianglong Peng; Jing Bai; Rongyi Zhang; Shengzhen Hou; Jianwu Wang; Zhenghu Xu","Dimerization of cyclopropenes to bifurans using tandem metal relay catalysis","Chem.Commun.","2013","49","","9167","","10.1039/c3cc44762f","","","0.71073","MoKα","","0.0749","0.0431","","","0.1049","0.1232","","","","","","1.033","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109818","5.9989","0.0004","12.7211","0.0009","25.6766","0.0013","90","","95.877","0.007","90","","1949.1","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 Br F P -","- C19 H29 Br F P -","- C76 H116 Br4 F4 P4 -","4","1","","Shigekazu Ito; Takeshi Nakagawa; Koichi Mikami","Stereoselective synthesis, structural aspects, and NMR properties of stable C-fluorinated phosphaalkenes","Chem.Commun.","2013","49","","9221","","10.1039/c3cc45237a","","","0.71075","MoKα","","0.0542","0.0365","","","0.0983","0.1124","","","","","","0.757","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109819","11.5045","0.0006","10.3533","0.0004","24.8649","0.0013","90","","99.7979","0.0018","90","","2918.4","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 F P2 -","- C31 H39 F P2 -","- C124 H156 F4 P8 -","4","1","","Shigekazu Ito; Takeshi Nakagawa; Koichi Mikami","Stereoselective synthesis, structural aspects, and NMR properties of stable C-fluorinated phosphaalkenes","Chem.Commun.","2013","49","","9221","","10.1039/c3cc45237a","","","0.71075","MoKα","","0.0536","0.0411","","","0.1233","0.1379","","","","","","1.017","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109820","12.787","0.0009","13.7386","0.001","21.64","0.0015","103.264","0.003","94.378","0.003","100.247","0.003","3613.8","0.4","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H74 Cl16 N2 O4 Pd2 S4 -","- C58 H74 Cl16 N2 O4 Pd2 S4 -","- C116 H148 Cl32 N4 O8 Pd4 S8 -","2","1","","Mei-Jin Lin; Marcus Schulze; Krzysztof Radacki; Frank Wurthner","Transition metal complexes of axially chiral tetrathioether bay-substituted perylene bisimide dyes","Chem.Commun.","2013","49","","9107","","10.1039/c3cc45351k","","","0.71073","MoKα","","0.0347","0.0293","","","0.0845","0.0877","","","","","","1.189","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109821","9.633","0.004","11.242","0.005","40.783","0.018","89.932","0.008","89.996","0.01","82.953","0.01","4383","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Boc-Aic-Aic-OEt","","","- C19 H36 N2 O5 -","- C19 H36 N2 O5 -","- C152 H288 N16 O40 -","8","4","","Sandip V. Jadhav; Hosahudya N. Gopi","Remarkable thermoresponsive nanofibers from gamma-peptides","Chem.Commun.","2013","49","","9179","","10.1039/c3cc45383a","","","0.71073","MoKα","","0.2952","0.0914","","","0.2195","0.3591","","","","","","0.795","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109822","9.633","0.005","18.305","0.008","33.028","0.015","90","","90","","90","","5824","5","100","2","100","2","","","101.325","","","","synthesis","4","P 21 21 21","P 2ac 2ab","19","gammatripeptide","","","- C25 H47 N3 O6 -","- C25 H47 N3 O6 -","- C200 H376 N24 O48 -","8","2","","Sandip V. Jadhav; Hosahudya N. Gopi","Remarkable thermoresponsive nanofibers from gamma-peptides","Chem.Commun.","2013","49","","9179","","10.1039/c3cc45383a","","","0.71073","MoKα","","0.1965","0.1057","","","0.2218","0.2667","","","","","","1.033","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109823","6.671","0.0006","10.2403","0.0009","13.3874","0.0014","103.816","0.005","102.813","0.005","90.485","0.005","864.14","0.14","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cl2 N3 O5 Pt -","- C15 H13 Cl2 N3 O5 Pt -","- C30 H26 Cl4 N6 O10 Pt2 -","2","1","","Stephen D. Taylor; Amie E. Norton; Robert T. Hart; Mahmood K. Abdolmaleki; Jeanette A. Krause; William B. Connick","Between red and yellow: evidence of intermediates in a vapochromic Pt(II) salt","Chem.Commun.","2013","49","","9161","","10.1039/c3cc45418e","","","1.54178","CuKα","","0.0658","0.0534","","","0.1212","0.1264","","","","","","1.052","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109824","7.0189","0.0003","16.8805","0.0008","26.8979","0.0013","90","","90.336","0.003","90","","3186.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Cl2 N3 O4 Pt -","- C15 H11 Cl2 N3 O4 Pt -","- C120 H88 Cl16 N24 O32 Pt8 -","8","2","","Stephen D. Taylor; Amie E. Norton; Robert T. Hart; Mahmood K. Abdolmaleki; Jeanette A. Krause; William B. Connick","Between red and yellow: evidence of intermediates in a vapochromic Pt(II) salt","Chem.Commun.","2013","49","","9161","","10.1039/c3cc45418e","","","0.8856","synchrotron","","0.0633","0.0332","","","0.06","0.069","","","","","","1.009","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109825","7.7008","0.0016","8.9697","0.0017","14.19","0.003","74.227","0.004","80.042","0.004","67.803","0.004","870.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H13 F3 N2 O2 -","- C20 H13 F3 N2 O2 -","- C40 H26 F6 N4 O4 -","2","1","","Hongji Li; Pinhua Li; Qiong Zhao; Lei Wang","Unprecedented ortho-acylation of azoxybenzenes with alpha-oxocarboxylic acids by Pd-catalyzed C-H activation and decarboxylation","Chem.Commun.","2013","49","","9170","","10.1039/c3cc45492d","","","0.71073","MoKα","","0.0761","0.0522","","","0.1385","0.157","","","","","","1.012","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109826","19.517","0.007","27.899","0.009","9.294","0.003","90","","100.593","0.009","90","","4974","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Dy F18 N9 O20 S6 -","- C24 H24 Dy F18 N9 O20 S6 -","- C96 H96 Dy4 F72 N36 O80 S24 -","4","1","","Denis Prodius; Fliur Macaev; Yanhua Lan; Ghenadie Novitchi; Serghei Pogrebnoi; Eugenia Stingaci; Valeriu Mereacre; Christopher E. Anson; Annie K. Powell","Evidence of slow relaxation of magnetization in dysprosium-based ionic liquids","Chem.Commun.","2013","49","","9215","","10.1039/c3cc45554h","","","0.8","synchrotron","","0.118","0.0849","","","0.2238","0.268","","","","","","1.018","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109827","26.0839","0.0008","18.1039","0.0006","8.7895","0.0003","90","","98.496","0.001","90","","4105","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Dy F18 N8 O11 P3 -","- C24 H36 Dy F18 N8 O11 P3 -","- C96 H144 Dy4 F72 N32 O44 P12 -","4","1","","Denis Prodius; Fliur Macaev; Yanhua Lan; Ghenadie Novitchi; Serghei Pogrebnoi; Eugenia Stingaci; Valeriu Mereacre; Christopher E. Anson; Annie K. Powell","Evidence of slow relaxation of magnetization in dysprosium-based ionic liquids","Chem.Commun.","2013","49","","9215","","10.1039/c3cc45554h","","","0.8","synchrotron","","0.0979","0.0765","","","0.2083","0.2253","","","","","","1.084","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109828","22.6009","0.0004","22.6009","0.0004","22.3136","0.0006","90","","90","","120","","9870.8","0.4","173","2","173","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C161 H142 Cl28 Cu3 N12 O54 -","- C161 H141.98 Cl27.98 Cu3 N12 O54 -","- C322 H283.96 Cl55.96 Cu6 N24 O108 -","2","0.166667","","Haeri Lee; Tae Hwan Noh; Ok-Sang Jung","Reversible supra-channel effects: 3D kagome structure and catalysis via a molecular array of 1D coordination polymers","Chem.Commun.","2013","49","","9182","","10.1039/c3cc45587d","","","0.71073","MoKα","","0.2036","0.0917","","","0.2457","0.3174","","","","","","1.021","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109829","38.915","0.0007","22.2085","0.0003","21.7493","0.0003","90","","98.683","0.002","90","","18581.3","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C152 H138 Cl22 Cu3 N18 O58 -","- C152 H138 Cl22 Cu3 N18 O58 -","- C608 H552 Cl88 Cu12 N72 O232 -","4","0.5","","Haeri Lee; Tae Hwan Noh; Ok-Sang Jung","Reversible supra-channel effects: 3D kagome structure and catalysis via a molecular array of 1D coordination polymers","Chem.Commun.","2013","49","","9182","","10.1039/c3cc45587d","","","0.71073","MoKα","","0.1889","0.1148","","","0.3114","0.3728","","","","","","1.035","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109830","38.6764","0.0004","22.1804","0.0002","21.8948","0.0004","90","","96.284","0.001","90","","18669.8","0.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C153 H157 B6 Cl12 Cu3 F24 N15 O44 -","- C153 H157 B6 Cl12 Cu3 F24 N15 O44 -","- C612 H628 B24 Cl48 Cu12 F96 N60 O176 -","4","0.5","","Haeri Lee; Tae Hwan Noh; Ok-Sang Jung","Reversible supra-channel effects: 3D kagome structure and catalysis via a molecular array of 1D coordination polymers","Chem.Commun.","2013","49","","9182","","10.1039/c3cc45587d","","","0.71073","MoKα","","0.197","0.1195","","","0.33","0.3911","","","","","","1.283","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109831","14.595","0.002","17.618","0.003","18.6042","0.0018","59.083","0.009","64.39","0.014","85.902","0.017","3630.1","1.1","143.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C83 H54 Cl2 O10 -","- C83 H54 Cl2 O10 -","- C166 H108 Cl4 O20 -","2","1","","Koji Miki; Tsuyoshi Matsushita; Yuki Inoue; Yoshinori Senda; Toshiyuki Kowada; Kouichi Ohe","Electron-rich carbon nanorings as macrocyclic hosts for fullerenes","Chem.Commun.","2013","49","","9092","","10.1039/c3cc42561d","","","0.7107","MoKα","","","0.1187","","","","0.1224","","","","","","1.104","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109832","15.079","0.005","16.661","0.006","17.175","0.005","69.627","0.012","68.11","0.014","86.749","0.016","3740","2","143.3","","","","","","","","","","","3","P -1","-P 1","2","","","","- C150 H102 O12 -","- C150 H102 O12 -","- C150 H102 O12 -","1","0.5","","Koji Miki; Tsuyoshi Matsushita; Yuki Inoue; Yoshinori Senda; Toshiyuki Kowada; Kouichi Ohe","Electron-rich carbon nanorings as macrocyclic hosts for fullerenes","Chem.Commun.","2013","49","","9092","","10.1039/c3cc42561d","","","0.7107","MoKα","","","0.087","","","","0.2554","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109833","12.1369","0.0005","15.7383","0.0009","34.813","0.003","77.933","0.006","85.4972","0.0019","76.973","0.006","6332","0.7","103","2","103","2","","","","","","","","3","P -1","-P 1","2","","","","- C162 H132 O15 -","- C162 H132 O15 -","- C324 H264 O30 -","2","1","","Koji Miki; Tsuyoshi Matsushita; Yuki Inoue; Yoshinori Senda; Toshiyuki Kowada; Kouichi Ohe","Electron-rich carbon nanorings as macrocyclic hosts for fullerenes","Chem.Commun.","2013","49","","9092","","10.1039/c3cc42561d","","","0.71075","MoKα","","0.2749","0.1126","","","0.2627","0.354","","","","","","1.022","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109834","11.1909","0.0003","23.6444","0.0007","12.9931","0.0004","90","","112.386","0.002","90","","3178.91","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H32 B2 Co F8 N6 -","- C29 H32 B2 Co F8 N6 -","- C116 H128 B8 Co4 F32 N24 -","4","1","","Peili Zhang; Mei Wang; Frederic Gloaguen; Lin Chen; Francois Quentel; Licheng Sun","Electrocatalytic hydrogen evolution from neutral water by molecular cobalt tripyridine-diamine complexes","Chem.Commun.","2013","49","","9455","","10.1039/c3cc43491e","","","0.71073","MoKα","","0.0759","0.0614","","","0.1827","0.1947","","","","","","1.079","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109835","11.4253","0.0005","23.1813","0.001","13.1097","0.0006","90","","111.606","0.003","90","","3228.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H31 B2 Co F8 N5 O4 -","- C27 H31 B2 Co F8 N5 O4 -","- C108 H124 B8 Co4 F32 N20 O16 -","4","1","","Peili Zhang; Mei Wang; Frederic Gloaguen; Lin Chen; Francois Quentel; Licheng Sun","Electrocatalytic hydrogen evolution from neutral water by molecular cobalt tripyridine-diamine complexes","Chem.Commun.","2013","49","","9455","","10.1039/c3cc43491e","","","0.71073","MoKα","","0.1129","0.0842","","","0.2538","0.2732","","","","","","1.103","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109836","11.183","0.003","23.646","0.007","13.366","0.004","90","","114.089","0.004","90","","3226.6","1.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H31 B2 Co F8 N6 -","- C30 H31 B2 Co F8 N6 -","- C120 H124 B8 Co4 F32 N24 -","4","1","","Peili Zhang; Mei Wang; Frederic Gloaguen; Lin Chen; Francois Quentel; Licheng Sun","Electrocatalytic hydrogen evolution from neutral water by molecular cobalt tripyridine-diamine complexes","Chem.Commun.","2013","49","","9455","","10.1039/c3cc43491e","","","0.71073","MoKα","","0.0956","0.0711","","","0.2182","0.2419","","","","","","1.06","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109837","11.2389","0.0006","23.3087","0.0013","13.5001","0.0007","90","","112.129","0.003","90","","3276","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 B2 Co F8 N5 O -","- C28 H33 B2 Co F8 N5 O -","- C112 H132 B8 Co4 F32 N20 O4 -","4","1","","Peili Zhang; Mei Wang; Frederic Gloaguen; Lin Chen; Francois Quentel; Licheng Sun","Electrocatalytic hydrogen evolution from neutral water by molecular cobalt tripyridine-diamine complexes","Chem.Commun.","2013","49","","9455","","10.1039/c3cc43491e","","","0.71073","MoKα","","0.0803","0.0646","","","0.1961","0.2081","","","","","","1.075","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109838","8.7155","0.0017","13.9","0.003","10.253","0.002","90","","111.21","0.002","90","","1158","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 I N2 O3 -","- C8 H13 I N2 O3 -","- C32 H52 I4 N8 O12 -","4","1","","Juan Li; Hong Wang; Gang Zhou; Zhong-Sheng Wang","Hydroxyethyl and ester co-functionalized imidazolium iodide for highly efficient solid-state dye-sensitized solar cells","Chem.Commun.","2013","49","","9446","","10.1039/c3cc44940h","","","0.71073","MoKα","","0.0334","0.0255","","","0.0626","0.0673","","","","","","1.039","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109839","23.0051","0.0004","29.8285","0.0006","42.2334","0.0008","90","","90","","90","","28980.9","0.9","200","2","200","2","","","","","","","","10","F d d d :2","-F 2uv 2vw","70","","","","- C112 H136 Cl2 Cu2 Gd0 Mo2 N32 Ni2 O44 Tb2 -","- C112 H96 Cl2 Cu2 Mo2 N32 Ni2 O44 Tb2 -","- C896 H768 Cl16 Cu16 Mo16 N256 Ni16 O352 Tb16 -","8","0.25","","Nathalie Bridonneau; Lise-Marie Chamoreau; Philippe P. Laine; Wolfgang Wernsdorfer; Valerie Marvaud","A new versatile class of hetero-tetra-metallic assemblies: highlighting single-molecule magnet behaviour","Chem.Commun.","2013","49","","9476","","10.1039/c3cc45037f","","","0.71073","MoKα","","0.0607","0.0431","","","0.121","0.1396","","","","","","1.089","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109840","23.0007","0.0007","29.7883","0.0009","42.1077","0.0012","90","","90","","90","","28850.2","1.5","200","2","200","2","","","","","","","","9","F d d d :2","-F 2uv 2vw","70","","","","- C112 H136 Cl2 Cu2 N32 Ni2 O44 Tb2 W2 -","- C112 H96 Cl2 Cu2 N32 Ni2 O44 Tb2 W2 -","- C896 H768 Cl16 Cu16 N256 Ni16 O352 Tb16 W16 -","8","0.25","","Nathalie Bridonneau; Lise-Marie Chamoreau; Philippe P. Laine; Wolfgang Wernsdorfer; Valerie Marvaud","A new versatile class of hetero-tetra-metallic assemblies: highlighting single-molecule magnet behaviour","Chem.Commun.","2013","49","","9476","","10.1039/c3cc45037f","","","0.71073","MoKα","","0.0549","0.0315","","","0.0846","0.1038","","","","","","0.992","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109841","22.9246","0.0007","29.8958","0.0009","41.9514","0.0014","90","","90","","90","","28751.4","1.6","200","2","200","2","","","","","","","","9","F d d d :2","-F 2uv 2vw","70","","","","- C112 H144 Cl0 Cu2 Mo2 N34 O46 Ru2 Tb2 -","- C112 H104 Cu2 Mo2 N34 O46 Ru2 Tb2 -","- C896 H832 Cu16 Mo16 N272 O368 Ru16 Tb16 -","8","0.25","","Nathalie Bridonneau; Lise-Marie Chamoreau; Philippe P. Laine; Wolfgang Wernsdorfer; Valerie Marvaud","A new versatile class of hetero-tetra-metallic assemblies: highlighting single-molecule magnet behaviour","Chem.Commun.","2013","49","","9476","","10.1039/c3cc45037f","","","0.71073","MoKα","","0.0618","0.0383","","","0.0934","0.1061","","","","","","1.032","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109842","22.8937","0.0007","29.8563","0.001","41.8842","0.0013","90","","90","","90","","28628.7","1.6","200","1","200","1","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C112 H140 Cu2 N34 O40 Os2 Tb2 W2 -","- C112 H104 Cu2 N34 O40 Os2 Tb2 W2 -","- C896 H832 Cu16 N272 O320 Os16 Tb16 W16 -","8","0.25","","Nathalie Bridonneau; Lise-Marie Chamoreau; Philippe P. Laine; Wolfgang Wernsdorfer; Valerie Marvaud","A new versatile class of hetero-tetra-metallic assemblies: highlighting single-molecule magnet behaviour","Chem.Commun.","2013","49","","9476","","10.1039/c3cc45037f","","","0.71073","MoKα","","0.0637","0.0366","","","0.1012","0.1226","","","","","","1.059","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109843","6.6858","0.0012","13.781","0.002","17.545","0.003","90","","90","","90","","1616.5","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 Br N O3 -","- C19 H14 Br N O3 -","- C76 H56 Br4 N4 O12 -","4","1","","Qi-Lin Wang; Lin Peng; Fei-Ying Wang; Ming-Liang Zhang; Li-Na Jia; Fang Tian; Xiao-Ying Xu; Li-Xin Wang","An organocatalytic asymmetric sequential allylic alkylation-cyclization of Morita-Baylis-Hillman carbonates and 3-hydroxyoxindoles","Chem.Commun.","2013","49","","9422","","10.1039/c3cc45139a","","","0.71073","MoKα","","0.0497","0.0366","","","0.0868","0.0938","","","","","","1.055","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109844","13.055","0.007","13.064","0.005","19.698","0.01","95.75","0.06","103.67","0.07","119.44","0.03","2748","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H92 Si4 Ti2 -","- C52 H92 Si4 Ti2 -","- C104 H184 Si8 Ti4 -","2","1","","Alexander F. R. Kilpatrick; Jennifer C. Green; F. Geoffrey N. Cloke; Nikolaos Tsoureas","Bis(pentalene)di-titanium: a bent double-sandwich complex with a very short Ti-Ti bond","Chem.Commun.","2013","49","","9434","","10.1039/c3cc45187a","","","0.71073","MoKα","","0.1117","0.0927","","","0.1865","0.2008","","","","","","1.079","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109845","8.2745","0.0007","15.5626","0.0013","16.2094","0.0014","90","","90","","90","","2087.3","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 B10 -","- C20 H24 B10 -","- C80 H96 B40 -","4","1","","Guo Fan Jin; Jo-Hyun Hwang; Jong-Dae Lee; Kyung-Ryang Wee; Il-Hwan Suh; Sang Ook Kang","A three-dimensional pi-electron acceptor, tri-phenyl-o-carborane, bearing a rigid conformation with end-on phenyl units","Chem.Commun.","2013","49","","9398","","10.1039/c3cc45313h","","","0.71073","MoKα","","0.0458","0.0427","","","0.1155","0.119","","","","","","1.019","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109846","12.5359","0.0008","12.915","0.0008","13.3882","0.0008","90","","99.612","0.001","90","","2137.1","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 B10 -","- C20 H24 B10 -","- C80 H96 B40 -","4","1","","Guo Fan Jin; Jo-Hyun Hwang; Jong-Dae Lee; Kyung-Ryang Wee; Il-Hwan Suh; Sang Ook Kang","A three-dimensional pi-electron acceptor, tri-phenyl-o-carborane, bearing a rigid conformation with end-on phenyl units","Chem.Commun.","2013","49","","9398","","10.1039/c3cc45313h","","","0.71073","MoKα","","0.0771","0.0592","","","0.1574","0.1771","","","","","","1.05","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109847","18.545","0.003","10.3481","0.0015","13.6761","0.0019","90","","108.811","0.003","90","","2484.3","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 B10 -","- C26 H28 B10 -","- C104 H112 B40 -","4","1","","Guo Fan Jin; Jo-Hyun Hwang; Jong-Dae Lee; Kyung-Ryang Wee; Il-Hwan Suh; Sang Ook Kang","A three-dimensional pi-electron acceptor, tri-phenyl-o-carborane, bearing a rigid conformation with end-on phenyl units","Chem.Commun.","2013","49","","9398","","10.1039/c3cc45313h","","","0.71073","MoKα","","0.1346","0.0758","","","0.1851","0.2144","","","","","","1.055","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109848","16.531","0.003","11.276","0.002","15.77","0.003","90","","94.878","0.003","90","","2928.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 B10 Cr2 O6 -","- C26 H24 B10 Cr2 O6 -","- C104 H96 B40 Cr8 O24 -","4","1","","Guo Fan Jin; Jo-Hyun Hwang; Jong-Dae Lee; Kyung-Ryang Wee; Il-Hwan Suh; Sang Ook Kang","A three-dimensional pi-electron acceptor, tri-phenyl-o-carborane, bearing a rigid conformation with end-on phenyl units","Chem.Commun.","2013","49","","9398","","10.1039/c3cc45313h","","","0.71073","MoKα","","0.0558","0.0422","","","0.1228","0.1359","","","","","","1.06","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109849","4.60842","0.00014","24.0504","0.0008","14.1862","0.0005","90","","94.048","0.003","90","","1568.4","0.09","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O S -","- C18 H21 N O S -","- C72 H84 N4 O4 S4 -","4","1","","Elise M. Rochette; William Lewis; Al G. Dossetter; Robert A. Stockman","Highly diastereoselective radical cyclisations of chiral sulfinimines","Chem.Commun.","2013","49","","9395","","10.1039/c3cc45452e","","","1.5418","CuKα","","0.0353","0.0334","","","0.0883","0.0897","","","","","","1.063","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109850","4.5824","0.0003","15.416","0.0011","22.7652","0.0014","90","","90","","90","","1608.19","0.18","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O2 S -","- C18 H21 N O2 S -","- C72 H84 N4 O8 S4 -","4","1","","Elise M. Rochette; William Lewis; Al G. Dossetter; Robert A. Stockman","Highly diastereoselective radical cyclisations of chiral sulfinimines","Chem.Commun.","2013","49","","9395","","10.1039/c3cc45452e","","","1.5418","CuKα","","0.0319","0.0309","","","0.0805","0.0815","","","","","","1.045","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109851","20.64863","0.00014","20.64863","0.00014","11.2327","0.0001","90","","90","","120","","4147.6","0.05","120","2","120","2","","","","","","","","5","P 31","P 31","144","","","","- C19 H29 N O S -","- C19 H29 N O S -","- C171 H261 N9 O9 S9 -","9","3","","Elise M. Rochette; William Lewis; Al G. Dossetter; Robert A. Stockman","Highly diastereoselective radical cyclisations of chiral sulfinimines","Chem.Commun.","2013","49","","9395","","10.1039/c3cc45452e","","","1.5418","CuKα","","0.0453","0.0432","","","0.122","0.1251","","","","","","1.046","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109852","15.136","0.0009","4.5783","0.0003","23.0086","0.0013","90","","102.954","0.006","90","","1553.85","0.17","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H19 N O S2 -","- C16 H19 N O S2 -","- C64 H76 N4 O4 S8 -","4","1","","Elise M. Rochette; William Lewis; Al G. Dossetter; Robert A. Stockman","Highly diastereoselective radical cyclisations of chiral sulfinimines","Chem.Commun.","2013","49","","9395","","10.1039/c3cc45452e","","","1.5418","CuKα","","0.0506","0.0481","","","0.1309","0.1327","","","","","","1.088","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109853","33.536","0.007","37.345","0.008","7.4812","0.0016","90","","90","","90","","9369","3","150","2","150","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C18 H6 F12 N3 Ni O5 S2 -","- C18 H6 F12 N3 Ni O5 S2 -","- C288 H96 F192 N48 Ni16 O80 S32 -","16","1","","Elisabeth M. Fatila; Rodolphe Clerac; Michael Jennings; Kathryn E. Preuss","McConnell I mechanism promotes ferromagnetic interactions between pi-stacked Ni(II)-thiazyl complexes","Chem.Commun.","2013","49","","9431","","10.1039/c3cc45605f","","","0.71073","MoKα","","0.062","0.045","","","0.0788","0.0866","","","","","","1.032","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109854","9.431","0.002","9.553","0.002","17.281","0.003","89.69","0.02","85.15","0.03","63.15","0.02","1383.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Cl2 N2 Si -","- C28 H38 Cl2 N2 Si -","- C56 H76 Cl4 N4 Si2 -","2","1","","Rajendra S. Ghadwal; Sven O. Reichmann; Felix Engelhardt; Diego M. Andrada; Gernot Frenking","Facile access to silyl-functionalized N-heterocyclic olefins with HSiCl3","Chem.Commun.","2013","49","","9440","","10.1039/c3cc45652h","","","0.71073","MoKα","","0.04","0.0345","","","0.0819","0.086","","","","","","1.053","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109855","10.914","0.004","11.526","0.004","26.138","0.009","90","","90","","90","","3288","2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H49 Cl2 N O Ru -","- C34 H49 Cl2 N O Ru -","- C136 H196 Cl8 N4 O4 Ru4 -","4","1","","Jun Zhang; Shangfei Song; Xiao Wang; Jiajun Jiao; Min Shi","Ruthenium-catalyzed olefin metathesis accelerated by the steric effect of the backbone substituent in cyclic (alkyl)(amino) carbenes","Chem.Commun.","2013","49","","9491","","10.1039/c3cc45823g","","","0.71073","MoKα","","0.026","0.0238","","","0.0525","0.0532","","","","","","1.005","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109856","15.9607","0.0009","17.0196","0.001","19.2424","0.0011","90","","90","","90","","5227.1","0.5","100","2","100","2","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","ROM2219","","","- C26.44 H34.38 Gd0.75 N1.06 O5.38 -","- C26.405 H35 Gd0.75 N1.03 O5.315 -","- C211.24 H280 Gd6 N8.24 O42.52 -","8","1","","Ross McLellan; Maria A. Palacios; Christine M. Beavers; Simon J. Teat; Euan K. Brechin; Scott J. Dalgarno","A bis-phenolate for the construction of linear lanthanide trimers","Chem.Commun.","2013","49","","9552","","10.1039/c3cc44996c","","","0.7749","Synchrotron","","0.0671","0.0416","","","0.1158","0.1341","","","","","","1.013","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109857","8.86","0.0004","10.8854","0.0005","12.8306","0.0005","86.595","0.002","78.246","0.002","66.29","0.002","1108.89","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 N O6 P W -","- C21 H22 N O6 P W -","- C42 H44 N2 O12 P2 W2 -","2","1","","Jose Manuel Villalba Franco; Arturo Espinosa Ferao; Gregor Schnakenburg; Rainer Streubel","The azaphosphiridine to terminal phosphinidene complex rearrangement ‒ looking for non-covalent interactions of a highly reactive species","Chem.Commun.","2013","49","","9648","","10.1039/c3cc45477k","","","0.71073","MoKα","","0.0184","0.0174","","","0.0404","0.041","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109858","9.3293","0.0001","18.8398","0.0003","16.1143","0.0002","90","","101.867","0.0008","90","","2771.75","0.06","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H28 N O6 P W -","- C29 H28 N O6 P W -","- C116 H112 N4 O24 P4 W4 -","4","1","","Jose Manuel Villalba Franco; Arturo Espinosa Ferao; Gregor Schnakenburg; Rainer Streubel","The azaphosphiridine to terminal phosphinidene complex rearrangement ‒ looking for non-covalent interactions of a highly reactive species","Chem.Commun.","2013","49","","9648","","10.1039/c3cc45477k","","","0.71073","MoKα","","0.0302","0.0249","","","0.0576","0.0594","","","","","","1.086","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109859","15.3901","0.0003","9.7161","0.0002","20.5004","0.0004","90","","93.737","0.002","90","","3058.94","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 N3 Zn -","- C31 H47 N3 Zn -","- C124 H188 N12 Zn4 -","4","1","","Sankaranarayana Pillai Sarish; Dirk Schaffner; Yu Sun; Werner R. Thiel","Evidence for the formation of a metal alkyl intermediate in the zinc mediated intramolecular hydroamination","Chem.Commun.","2013","49","","9672","","10.1039/c3cc45491f","","","1.54184","CuKα","","0.033","0.0306","","","0.0873","0.0898","","","","","","1.052","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109860","22.8607","0.0003","9.6928","0.0001","19.0631","0.0002","90","","107.309","0.001","90","","4032.79","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H59 N3 Zn -","- C46 H58 N3 Zn -","- C184 H232 N12 Zn4 -","4","1","","Sankaranarayana Pillai Sarish; Dirk Schaffner; Yu Sun; Werner R. Thiel","Evidence for the formation of a metal alkyl intermediate in the zinc mediated intramolecular hydroamination","Chem.Commun.","2013","49","","9672","","10.1039/c3cc45491f","","","1.54184","CuKα","","0.0428","0.0414","","","0.104","0.1051","","","","","","1.078","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109861","14.599","0.003","15.498","0.003","24.333","0.005","97.48","0.03","95.15","0.05","117.74","0.03","4760","2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C181 H180 N22 O31 Yb6 -","- C181 H180 N22 O31 Yb6 -","- C181 H180 N22 O31 Yb6 -","1","0.5","","Xiaoping Yang; Michael M. Oye; Richard A. Jones; Shaoming Huang","Anion dependent self-assembly of a linear hexanuclear Yb(III) salen complex with enhanced near-infrared (NIR) luminescence properties","Chem.Commun.","2013","49","","9579","","10.1039/c3cc45651j","","","0.71073","MoKα","","0.1242","0.0986","","","0.2127","0.2285","","","","","","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109862","26.773","0.004","26.773","0.004","45.788","0.009","90","","90","","90","","32821","9","153","2","153","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C261 H252 N32 O50.52 Yb12 -","- C261 H252 N32 O50.52 Yb12 -","- C1044 H1008 N128 O202.08 Yb48 -","4","0.25","","Xiaoping Yang; Michael M. Oye; Richard A. Jones; Shaoming Huang","Anion dependent self-assembly of a linear hexanuclear Yb(III) salen complex with enhanced near-infrared (NIR) luminescence properties","Chem.Commun.","2013","49","","9579","","10.1039/c3cc45651j","","","0.71073","MoKα","","0.1005","0.0693","","","0.1785","0.2059","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109863","22.211","0.004","10.184","0.002","29.121","0.006","90","","98.33","0.03","90","","6518","2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H68 N10 O16 Yb2 -","- C66 H68 N10 O16 Yb2 -","- C264 H272 N40 O64 Yb8 -","4","1","","Xiaoping Yang; Michael M. Oye; Richard A. Jones; Shaoming Huang","Anion dependent self-assembly of a linear hexanuclear Yb(III) salen complex with enhanced near-infrared (NIR) luminescence properties","Chem.Commun.","2013","49","","9579","","10.1039/c3cc45651j","","","0.71073","MoKα","","0.039","0.0304","","","0.0718","0.0816","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109864","11.9912","0.0006","12.8733","0.0007","14.5474","0.0008","70.567","0.004","79.101","0.004","67.143","0.004","1946.78","0.19","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H70 Dy2 Fe2 N14 O20 -","- C72 H70 Dy2 Fe2 N14 O20 -","- C72 H70 Dy2 Fe2 N14 O20 -","1","0.5","","Amer Baniodeh; Valeriu Mereacre; Nicola Magnani; Yanhua Lan; Juliusz A. Wolny; Volker Schunemann; Christopher E. Anson; Annie K. Powell","Para versus meta ligand substituents as a means of directing magnetic anisotropy in Fe2Dy2 coordination clusters","Chem.Commun.","2013","49","","9666","","10.1039/c3cc45695a","","","0.71073","MoKα","","0.0318","0.0261","","","0.0579","0.0593","","","","","","1.016","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109865","11.5412","0.001","14.2757","0.0013","14.487","0.0012","61.979","0.006","87.646","0.007","80.384","0.007","2075.5","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H92 Dy2 Fe2 N4 O24 -","- C80 H92 Dy2 Fe2 N4 O24 -","- C80 H92 Dy2 Fe2 N4 O24 -","1","0.5","","Amer Baniodeh; Valeriu Mereacre; Nicola Magnani; Yanhua Lan; Juliusz A. Wolny; Volker Schunemann; Christopher E. Anson; Annie K. Powell","Para versus meta ligand substituents as a means of directing magnetic anisotropy in Fe2Dy2 coordination clusters","Chem.Commun.","2013","49","","9666","","10.1039/c3cc45695a","","","0.71073","MoKα","","0.0458","0.04","","","0.0956","0.0972","","","","","","0.999","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109866","9.7","0.002","12.915","0.003","14.427","0.003","87.159","0.017","74.068","0.018","73.135","0.017","1662.3","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H58 Dy2 Fe2 N10 O20 -","- C64 H58 Dy2 Fe2 N10 O20 -","- C64 H58 Dy2 Fe2 N10 O20 -","1","0.5","","Amer Baniodeh; Valeriu Mereacre; Nicola Magnani; Yanhua Lan; Juliusz A. Wolny; Volker Schunemann; Christopher E. Anson; Annie K. Powell","Para versus meta ligand substituents as a means of directing magnetic anisotropy in Fe2Dy2 coordination clusters","Chem.Commun.","2013","49","","9666","","10.1039/c3cc45695a","","","0.71073","MoKα","","0.1076","0.0616","","","0.1311","0.1467","","","","","","0.984","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109867","12.4404","0.0008","21.483","0.0015","13.705","0.0009","90","","100.532","0.005","90","","3601.1","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H84 Dy2 Fe2 N4 O22 -","- C66 H84 Dy2 Fe2 N4 O22 -","- C132 H168 Dy4 Fe4 N8 O44 -","2","0.5","","Amer Baniodeh; Valeriu Mereacre; Nicola Magnani; Yanhua Lan; Juliusz A. Wolny; Volker Schunemann; Christopher E. Anson; Annie K. Powell","Para versus meta ligand substituents as a means of directing magnetic anisotropy in Fe2Dy2 coordination clusters","Chem.Commun.","2013","49","","9666","","10.1039/c3cc45695a","","","0.71073","MoKα","","0.066","0.0528","","","0.1207","0.1262","","","","","","1.001","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109868","13.151","0.008","23.056","0.013","7.806","0.005","90","","90","","90","","2367","2","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C29 H23 O2 P Se -","- C29 H23 O2 P Se -","- C116 H92 O8 P4 Se4 -","4","1","","Toshiaki Murai; Yuuki Maekawa; Masaki Monzaki; Takafumi Ando; Toshifumi Maruyama","Anti-Markovnikov hydrophosphoroselenoylation of alkenes using phosphorodiselenoic acid esters leading to the formation of phosphonoselenoic acid esters","Chem.Commun.","2013","49","","9675","","10.1039/c3cc45912h","","","0.7107","MoKα","","0.052","0.0477","","","0.0932","0.0949","","","","","","1.121","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109869","17.479","0.008","10.231","0.005","12.459","0.006","90","","90","","90","","2228","1.8","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 O3 P Se -","- C25 H21 O3 P Se -","- C100 H84 O12 P4 Se4 -","4","1","","Toshiaki Murai; Yuuki Maekawa; Masaki Monzaki; Takafumi Ando; Toshifumi Maruyama","Anti-Markovnikov hydrophosphoroselenoylation of alkenes using phosphorodiselenoic acid esters leading to the formation of phosphonoselenoic acid esters","Chem.Commun.","2013","49","","9675","","10.1039/c3cc45912h","","","0.7107","MoKα","","0.0713","0.0633","","","0.1647","0.1711","","","","","","1","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109870","17.903","0.004","10.516","0.002","17.191","0.004","90","","90","","90","","3236.5","1.2","173","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H51 O P Si4 W -","- C19 H51 O P Si4 W -","- C76 H204 O4 P4 Si16 W4 -","4","1","","Laurel A. Morton; Maozhong Miao; Tabitha M. Callaway; Tianniu Chen; Shu-Jian Chen; Albert A. Tuinman; Xianghua Yu; Zheng Lu; Zi-Ling Xue","Reactions of d0 tungsten alkylidyne complexes with O2 or H2O. Formation of an oxo siloxy complex through unusual silyl migrations","Chem.Commun.","2013","49","","9555","","10.1039/c3cc46014b","","","0.71073","MoKα","","0.067","0.0374","","","0.0695","0.0782","","","","","","1.093","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109871","28.065","0.003","28.065","0.003","28.065","0.003","90","","90","","90","","22105","4","173","2","173","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C36 H90 O9 Si6 W3 -","- C36 H90 O9 Si6 W3 -","- C576 H1440 O144 Si96 W48 -","16","0.333333","","Laurel A. Morton; Maozhong Miao; Tabitha M. Callaway; Tianniu Chen; Shu-Jian Chen; Albert A. Tuinman; Xianghua Yu; Zheng Lu; Zi-Ling Xue","Reactions of d0 tungsten alkylidyne complexes with O2 or H2O. Formation of an oxo siloxy complex through unusual silyl migrations","Chem.Commun.","2013","49","","9555","","10.1039/c3cc46014b","","","0.71073","MoKα","","0.0256","0.0218","","","0.048","0.049","","","","","","0.999","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109872","16.1077","0.0007","16.1077","0.0007","68.397","0.004","90","","90","","120","","15368.6","1.3","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H84 O2 Si8 W2 -","- C31 H84 O2 Si8 W2 -","- C372 H1008 O24 Si96 W24 -","12","0.666667","","Laurel A. Morton; Maozhong Miao; Tabitha M. Callaway; Tianniu Chen; Shu-Jian Chen; Albert A. Tuinman; Xianghua Yu; Zheng Lu; Zi-Ling Xue","Reactions of d0 tungsten alkylidyne complexes with O2 or H2O. Formation of an oxo siloxy complex through unusual silyl migrations","Chem.Commun.","2013","49","","9555","","10.1039/c3cc46014b","","","0.71073","MoKα","","0.0648","0.0306","","","0.0664","0.085","","","","","","0.877","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109873","33.5208","0.0019","33.5208","0.0019","24.994","0.003","90","","90","","120","","24322","4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C228 H352 N96 Ni12 O42 W6 -","- C228 H351.98 N96 Ni12 O42 W6 -","- C684 H1055.94 N288 Ni36 O126 W18 -","3","0.166667","","Dao-Peng Zhang; Li-Fang Zhang; Guo-Ling Li; Zhong-Hai Ni","Water-controlled synthesis and single-crystal structural transformations of a cyanide-bridged W(IV)-Ni(II) molecular wheel complex and 3D networks","Chem.Commun.","2013","49","","9582","","10.1039/c3cc46063k","","","0.71073","MoKα","","0.0573","0.035","","","0.0896","0.1056","","","","","","1.1","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109874","33.42","0.003","33.42","0.003","33.42","0.003","90","","90","","90","","37327","6","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C38 H44 N16 Ni2 W -","- C38 H44 N16 Ni2 W -","- C912 H1056 N384 Ni48 W24 -","24","0.25","","Dao-Peng Zhang; Li-Fang Zhang; Guo-Ling Li; Zhong-Hai Ni","Water-controlled synthesis and single-crystal structural transformations of a cyanide-bridged W(IV)-Ni(II) molecular wheel complex and 3D networks","Chem.Commun.","2013","49","","9582","","10.1039/c3cc46063k","","","0.71073","MoKα","","0.0868","0.073","","","0.159","0.1741","","","","","","1.001","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109875","15.031","0.002","30.103","0.005","13.367","0.002","90","","119.837","0.003","90","","5246.5","1.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H44 N16 Ni2 W -","- C38 H44 N16 Ni2 W -","- C152 H176 N64 Ni8 W4 -","4","1","","Dao-Peng Zhang; Li-Fang Zhang; Guo-Ling Li; Zhong-Hai Ni","Water-controlled synthesis and single-crystal structural transformations of a cyanide-bridged W(IV)-Ni(II) molecular wheel complex and 3D networks","Chem.Commun.","2013","49","","9582","","10.1039/c3cc46063k","","","0.71073","MoKα","","0.1086","0.0849","","","0.229","0.2455","","","","","","1.114","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109876","6.4177","0.0009","12.2541","0.0018","19.54","0.003","90","","90","","90","","1536.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl N O4 -","- C16 H16 Cl N O4 -","- C64 H64 Cl4 N4 O16 -","4","1","","Qing-Hua Li; Tang-Lin Liu; Liang Wei; Xiang Zhou; Hai-Yan Tao; Chun-Jiang Wang","exo-Selective construction of spiro-[butyrolactone=pyrrolidine] via 1,3]dipolar cycloaddition of azomethine ylides with alpha-methylene- -gamma-butyrolactone catalyzed by Cu(I)/DTBM-BIPHEP","Chem.Commun.","2013","49","","9642","","10.1039/c3cc45493b","","","0.71073","MoKα","","0.0884","0.0805","","","0.2433","0.2547","","","","","","1.048","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109877","9.4853","0.0005","12.9621","0.0006","19.1602","0.0009","90","","90.917","0.001","90","","2355.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Br2 N2 Zn -","- C26 H22 Br2 N2 Zn -","- C104 H88 Br8 N8 Zn4 -","4","1","","Raghavender Medishetty; Terence Teck Sheng Yap; Lip Lin Koh; Jagadese J. Vittal","Thermally reversible single-crystal to single-crystal transformation of mononuclear to dinuclear Zn(II) complexes by [2+2] cycloaddition reaction","Chem.Commun.","2013","49","","9567","","10.1039/c3cc45706k","","","0.71073","MoKα","","0.0367","0.0293","","","0.0703","0.0729","","","","","","1.037","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109878","9.5694","0.0012","13.0123","0.0016","19.216","0.002","90","","91.437","0.003","90","","2392","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Br4 N4 Zn2 -","- C52 H44 Br4 N4 Zn2 -","- C104 H88 Br8 N8 Zn4 -","2","0.5","","Raghavender Medishetty; Terence Teck Sheng Yap; Lip Lin Koh; Jagadese J. Vittal","Thermally reversible single-crystal to single-crystal transformation of mononuclear to dinuclear Zn(II) complexes by [2+2] cycloaddition reaction","Chem.Commun.","2013","49","","9567","","10.1039/c3cc45706k","","","0.71073","MoKα","","0.084","0.0641","","","0.1776","0.1879","","","","","","1.113","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109879","11.015","0.003","12.395","0.004","18.034","0.006","90","","90.529","0.008","90","","2462.1","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Br2 F2 N2 Zn -","- C26 H20 Br2 F2 N2 Zn -","- C104 H80 Br8 F8 N8 Zn4 -","4","1","","Raghavender Medishetty; Terence Teck Sheng Yap; Lip Lin Koh; Jagadese J. Vittal","Thermally reversible single-crystal to single-crystal transformation of mononuclear to dinuclear Zn(II) complexes by [2+2] cycloaddition reaction","Chem.Commun.","2013","49","","9567","","10.1039/c3cc45706k","","","0.71073","MoKα","","0.1613","0.1462","","","0.4208","0.4281","","","","","","1.076","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109880","9.623","0.0009","13.0226","0.0011","19.0893","0.0017","90","","90.861","0.002","90","","2391.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Br2 F2 N2 Zn -","- C26 H20 Br2 F2 N2 Zn -","- C104 H80 Br8 F8 N8 Zn4 -","4","1","","Raghavender Medishetty; Terence Teck Sheng Yap; Lip Lin Koh; Jagadese J. Vittal","Thermally reversible single-crystal to single-crystal transformation of mononuclear to dinuclear Zn(II) complexes by [2+2] cycloaddition reaction","Chem.Commun.","2013","49","","9567","","10.1039/c3cc45706k","","","0.71073","MoKα","","0.0552","0.0441","","","0.1139","0.1269","","","","","","1.104","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109881","9.6691","0.0015","13.252","0.002","19.137","0.003","90","","92.175","0.004","90","","2450.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 Br4 F4 N4 Zn2 -","- C52 H40 Br4 F4 N4 Zn2 -","- C104 H80 Br8 F8 N8 Zn4 -","2","0.5","","Raghavender Medishetty; Terence Teck Sheng Yap; Lip Lin Koh; Jagadese J. Vittal","Thermally reversible single-crystal to single-crystal transformation of mononuclear to dinuclear Zn(II) complexes by [2+2] cycloaddition reaction","Chem.Commun.","2013","49","","9567","","10.1039/c3cc45706k","","","0.71073","MoKα","","0.1483","0.0632","","","0.1478","0.1857","","","","","","0.943","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109882","24.1311","0.0016","23.3088","0.0016","40.6","0.003","90","","91.481","0.001","90","","22829","3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C297 H200 Br2 Ho48 K2 N48 O231 -","- C297 H200 Br2 Ho48 K2 N48 O231 -","- C594 H400 Br4 Ho96 K4 N96 O462 -","2","0.5","","Lei Chen; Jiu-Yu Guo; Xiao Xu; Wei-Wei Ju; Deng Zhang; Dun-Ru Zhu; Yan Xu","A novel 2-D coordination polymer constructed from high-nuclearity waist drum-like pure Ho48 clusters","Chem.Commun.","2013","49","","9728","","10.1039/c3cc43093f","","","0.71073","MoKα","","0.1355","0.0608","","","0.1432","0.1702","","","","","","0.97","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109883","11.4647","0.0016","14.1481","0.0019","15.65","0.002","111.841","0.002","91.505","0.002","108.809","0.002","2199.3","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H37 B2 Cl4 F8 N9 O Pd2 -","- C41 H35 B2 Cl4 F8 N9 O Pd2 -","- C82 H70 B4 Cl8 F16 N18 O2 Pd4 -","2","1","","Henri Doucet; Jitendra K. Bera","Room temperature C-H bond activation on a [PdI-PdI] platform","Chem.Commun.","2013","49","","9764","","10.1039/c3cc44493g","","","0.71073","MoKα","","0.0606","0.0452","","","0.109","0.12","","","","","","1.021","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109884","19.485","0.002","22.628","0.003","14.2391","0.0016","90","","100.457","0.002","90","","6173.8","1.2","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H53 B3 Cl4 F12 N8 O2 Pd3 S4 -","- C56 H45 B3 F12 N8 O Pd3 S4 -","- C224 H180 B12 F48 N32 O4 Pd12 S16 -","4","1","","Henri Doucet; Jitendra K. Bera","Room temperature C-H bond activation on a [PdI-PdI] platform","Chem.Commun.","2013","49","","9764","","10.1039/c3cc44493g","","","0.71073","MoKα","","0.0987","0.0618","","","0.1489","0.163","","","","","","0.933","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109885","22.464","0.004","22.228","0.004","25.76","0.004","90","","100.596","0.004","90","","12643","4","100","2","100","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C71 H61 B3 Br F12 N8 O Pd3 S4 -","- C59 H47 B3 Br F12 N8 O Pd3 S4 -","- C472 H376 B24 Br8 F96 N64 O8 Pd24 S32 -","8","2","","Henri Doucet; Jitendra K. Bera","Room temperature C-H bond activation on a [PdI-PdI] platform","Chem.Commun.","2013","49","","9764","","10.1039/c3cc44493g","","","0.71073","MoKα","","0.1871","0.0856","","","0.1776","0.2092","","","","","","0.899","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109886","18.389","0.003","18.555","0.003","22.215","0.003","100.835","0.002","103.159","0.002","119.476","0.002","6009.7","1.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C126 H50 B4 Cl4 F60 N14 Pd2 -","- C126 H50 B4 Cl4 F60 N14 Pd2 -","- C252 H100 B8 Cl8 F120 N28 Pd4 -","2","1","","Henri Doucet; Jitendra K. Bera","Room temperature C-H bond activation on a [PdI-PdI] platform","Chem.Commun.","2013","49","","9764","","10.1039/c3cc44493g","","","0.71073","MoKα","","0.0837","0.0554","","","0.1356","0.159","","","","","","1.047","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109887","15.8053","0.0016","19.5063","0.0019","20.14","0.002","90","","90","","90","","6209.2","1.1","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H28 Cl2 N4 O4 Pd -","- C33 H28 Cl2 N4 O4 Pd -","- C264 H224 Cl16 N32 O32 Pd8 -","8","2","","Henri Doucet; Jitendra K. Bera","Room temperature C-H bond activation on a [PdI-PdI] platform","Chem.Commun.","2013","49","","9764","","10.1039/c3cc44493g","","","0.71073","MoKα","","0.0942","0.0582","","","0.1302","0.1528","","","","","","1.043","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109888","13.0855","0.0017","7.5248","0.0009","10.2932","0.0011","90","","104.676","0.006","90","","980.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","M-FcCN_LT","","","- C12 H11 Fe N -","- C12 H11 Fe N -","- C48 H44 Fe4 N4 -","4","1","","Daniel Nieto; Sonia Bruna; M. Merced Montero-Campillo; Josefina Perles; Ana Ma Gonzalez-Vadillo; Julia Mendez; Otilia Mo; Isabel Cuadrado","Mechanochemical and silica gel-mediated formation of highly electron-poor 1-cyanocarbonylferrocene","Chem.Commun.","2013","49","","9785","","10.1039/c3cc44619k","","","0.71073","","","0.0292","0.0234","","","0.0722","0.0886","","","","","","1.002","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109889","7.612","0.006","10.349","0.009","13.003","0.01","90","","90","","90","","1024.3","1.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Morada","","","- C12 H9 Fe N O -","- C12 H9 Fe N O -","- C48 H36 Fe4 N4 O4 -","4","1","","Daniel Nieto; Sonia Bruna; M. Merced Montero-Campillo; Josefina Perles; Ana Ma Gonzalez-Vadillo; Julia Mendez; Otilia Mo; Isabel Cuadrado","Mechanochemical and silica gel-mediated formation of highly electron-poor 1-cyanocarbonylferrocene","Chem.Commun.","2013","49","","9785","","10.1039/c3cc44619k","","","0.71073","","","0.0799","0.0537","","","0.125","0.1412","","","","","","1","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109890","21.1295","0.0003","21.1295","0.0003","18.0194","0.0003","90","","90","","120","","6967.06","0.18","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C25.33 H22 N4.67 Ni O8.67 W -","- C25.32 H21.98 N4.66667 Ni O8.65 W -","- C227.88 H197.82 N42 Ni9 O77.85 W9 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Tony Pham; Katherine A. Forrest; Brant Tudor; Lukasz Wojtas; Brian Space; Michael J. Zaworotko","Pillar substitution modulates CO2 affinity in 'mmo' topology networks","Chem.Commun.","2013","49","","9809","","10.1039/c3cc44745f","","","1.54178","CuKα","","0.0188","0.0187","","","0.0488","0.0488","","","","","","1.072","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109891","21.3175","0.0008","21.3175","0.0008","17.9653","0.0009","90","","90","","120","","7070.3","0.5","228","2","228","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C24 H20 Co N4 O9.08 W -","- C24 H20 Co N4 O9.07667 W -","- C216 H180 Co9 N36 O81.69 W9 -","9","0.5","","Mona H. Mohamed; Sameh K. Elsaidi; Tony Pham; Katherine A. Forrest; Brant Tudor; Lukasz Wojtas; Brian Space; Michael J. Zaworotko","Pillar substitution modulates CO2 affinity in 'mmo' topology networks","Chem.Commun.","2013","49","","9809","","10.1039/c3cc44745f","","","1.54178","CuKα","","0.0286","0.0271","","","0.0617","0.0622","","","","","","0.999","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109892","36.284","0.007","14.401","0.003","13.156","0.003","90","","90","","90","","6874","3","273","2","273","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- C41 H43 Cl N4 -","- C41 H43 Cl N4 -","- C328 H344 Cl8 N32 -","8","","","Tridib Sarma; Pradeepta K. Panda; Jun-ichiro Setsune","Bis-naphthobipyrrolylmethene derived BODIPY complex: an intense near-infrared fluorescent dye","Chem.Commun.","2013","49","","9806","","10.1039/c3cc44834g","","","0.71073","MoKα","","0.166","0.0674","","","0.1757","0.2223","","","","","","1.022","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109893","6.0643","0.0004","13.3784","0.0008","42.361","0.003","90","","93.789","0.001","90","","3429.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H41 B F2 N4 -","- C41 H41 B F2 N4 -","- C164 H164 B4 F8 N16 -","4","1","","Tridib Sarma; Pradeepta K. Panda; Jun-ichiro Setsune","Bis-naphthobipyrrolylmethene derived BODIPY complex: an intense near-infrared fluorescent dye","Chem.Commun.","2013","49","","9806","","10.1039/c3cc44834g","","","0.71073","MoKα","","0.1427","0.1299","","","0.2678","0.2745","","","","","","1.317","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109894","9.9726","0.0012","11.8001","0.0009","12.7945","0.0018","88.88","0.009","71.972","0.012","65.771","0.01","1295.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C35 H27 Cl -","- C35 H27 Cl -","- C70 H54 Cl2 -","2","1","","Bo Qian; Guoying Zhang; Yongzheng Ding; Hanmin Huang","Catalytic cross deoxygenative and dehydrogenative coupling of aldehydes and alkenes: a redox-neutral process to produce skipped dienes","Chem.Commun.","2013","49","","9839","","10.1039/c3cc45428b","","","0.7107","MoKα","","0.0765","0.0499","","","0.0978","0.1141","","","","","","1.049","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109895","7.5874","0.0003","6.8977","0.0004","12.9328","0.0005","90","","103.773","0.004","90","","657.38","0.05","100","7","100","7","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- C19 H12 -","- C19 H12 -","- C38 H24 -","2","0.5","","Bo Qian; Guoying Zhang; Yongzheng Ding; Hanmin Huang","Catalytic cross deoxygenative and dehydrogenative coupling of aldehydes and alkenes: a redox-neutral process to produce skipped dienes","Chem.Commun.","2013","49","","9839","","10.1039/c3cc45428b","","","1.5418","CuKα","","0.1006","0.0992","","","0.3323","0.3362","","","","","","3.22","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109896","9.8897","0.0016","9.8944","0.0017","11.4945","0.0018","107.042","0.003","92.711","0.004","99.386","0.003","1055.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 F N O -","- C12 H10 F N O -","- C48 H40 F4 N4 O4 -","4","2","","Tang-Po Yang; Jin-Hong Lin; Qing-Yun Chen; Ji-Chang Xiao","A novel reaction of gem-difluorocyclopropyl ketones with nitriles leading to 2-fluoropyrroles","Chem.Commun.","2013","49","","9833","","10.1039/c3cc45456h","","","0.71073","MoKα","","0.105","0.0583","","","0.1381","0.1527","","","","","","0.833","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109897","14.1743","0.0003","18.6898","0.0004","21.2836","0.0005","89.751","0.002","87.32","0.002","70.905","0.002","5321.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H120 I N7 Na O85 W18 -","- C22.6 H51.9 I N4 Na2 O81.1 W18 -","- C45.2 H103.8 I2 N8 Na4 O162.2 W36 -","2","1","","De-Liang Long; Jun Yan; Andreu Ruiz de la Oliva; Christoph Busche; Haralampos N. Miras; R. John Errington; Leroy Cronin","A redox-triggered structural rearrangement in an iodate-templated polyoxotungstate cluster cage","Chem.Commun.","2013","49","","9731","","10.1039/c3cc45659e","","","0.71073","MoKα","","0.0858","0.0591","","","0.1691","0.1779","","","","","","0.955","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109898","11.9145","0.0007","13.351","0.0008","14.5688","0.0009","115.71","0.001","108.879","0.001","90.412","0.001","1945.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H50 F6 N2 O Si5 -","- C32 H50 F6 N2 O Si5 -","- C64 H100 F12 N4 O2 Si10 -","2","1","","Liliang Wang; Weifeng Chen; Zhifang Li; Xu-Qiong Xiao; Guoqiao Lai; Xupeng Liu; Zheng Xu; Mitsuo Kira","Reactions of an isolable dialkylsilylene with aromatic nitriles providing a new type of heterosilole","Chem.Commun.","2013","49","","9776","","10.1039/c3cc45663c","","","0.71073","MoKα","","0.0728","0.0463","","","0.1319","0.1575","","","","","","0.893","","","","has coordinates,has disorder","180204","2020-10-21","18:00:00",""
"7109899","17.925","0.0019","19.611","0.002","11.0217","0.0012","90","","102.677","0.002","90","","3780","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H54 N2 O2 Si5 -","- C32 H54 N2 O2 Si5 -","- C128 H216 N8 O8 Si20 -","4","1","","Liliang Wang; Weifeng Chen; Zhifang Li; Xu-Qiong Xiao; Guoqiao Lai; Xupeng Liu; Zheng Xu; Mitsuo Kira","Reactions of an isolable dialkylsilylene with aromatic nitriles providing a new type of heterosilole","Chem.Commun.","2013","49","","9776","","10.1039/c3cc45663c","","","0.71073","MoKα","","0.0986","0.0561","","","0.152","0.1871","","","","","","0.913","","","","has coordinates","180204","2020-10-21","18:00:00",""
"7109900","13.613","0.005","11.143","0.004","16.466","0.006","90","","94.867","0.009","90","","2488.7","1.6","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 Cd N5 O6 -","- C27 H23 Cd N5 O6 -","- C108 H92 Cd4 N20 O24 -","4","1","","Joseph W. Nugent; Hyunjung Lee; Hee-Seung Lee; Joseph H. Reibenspies; Robert D. Hancock","Mechanism of chelation enhanced fluorescence in complexes of cadmium(II), and a possible new type of anion sensor","Chem.Commun.","2013","49","","9749","","10.1039/c3cc45829f","","","0.71073","MoKα","","0.0274","0.0226","","","0.0558","0.0582","","","","","","1.05","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109901","10.591","0.0004","14.3562","0.0006","16.9432","0.0007","103.029","0.002","106.274","0.002","91.596","0.002","2397.83","0.17","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 Cd2 Cl4 N6 -","- C54 H46 Cd2 Cl4 N6 -","- C108 H92 Cd4 Cl8 N12 -","2","1","","Joseph W. Nugent; Hyunjung Lee; Hee-Seung Lee; Joseph H. Reibenspies; Robert D. Hancock","Mechanism of chelation enhanced fluorescence in complexes of cadmium(II), and a possible new type of anion sensor","Chem.Commun.","2013","49","","9749","","10.1039/c3cc45829f","","","0.71073","MoKα","","0.0371","0.0292","","","0.0741","0.0838","","","","","","1.097","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109902","14.0366","0.0002","17.3755","0.0002","13.3392","0.0002","90","","114.958","0.0017","90","","2949.53","0.08","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 B Cl5 F10 N -","- C27 H21 B Cl5 F10 N -","- C108 H84 B4 Cl20 F40 N4 -","4","1","","Hasna Zaher; Andrew E. Ashley; Mark Irwin; Amber L. Thompson; Matthias J. Gutmann; Tobias Kramer; Dermot O'Hare","Structural and theoretical studies of intermolecular dihydrogen bonding in [(C6F5)2(C6Cl5)B]-HH-[TMP]","Chem.Commun.","2013","49","","9755","","10.1039/c3cc45889j","","","1.5418","CuKα","","0.027","0.0259","","0.0668","0.0661","0.0668","","","","","","1.0133","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109903","14.011","0.003","17.343","0.004","13.332","0.003","90","","115.03","0.015","90","","2935.3","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 B Cl5 F10 N -","- C27 H21 B Cl5 F10 N -","- C108 H84 B4 Cl20 F40 N4 -","4","1","","Hasna Zaher; Andrew E. Ashley; Mark Irwin; Amber L. Thompson; Matthias J. Gutmann; Tobias Kramer; Dermot O'Hare","Structural and theoretical studies of intermolecular dihydrogen bonding in [(C6F5)2(C6Cl5)B]-HH-[TMP]","Chem.Commun.","2013","49","","9755","","10.1039/c3cc45889j","","neutron","","Neutron","","0.0928","0.0928","","","0.2584","0.2584","","","","","","1.156","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109904","10.1889","0.0013","16.651","0.002","19.73","0.003","90","","101.825","0.002","90","","3276.3","0.8","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H23 Cl2 O12 Zn2 -","- C40 H23 Cl2 O12 Zn2 -","- C80 H46 Cl4 O24 Zn4 -","2","1","","Sridhar Regati; Yabing He; Muralidhara Thimmaiah; Peng Li; Shengchang Xiang; Banglin Chen; John Cong-Gui Zhao","Enantioselective ring-opening of meso-epoxides by aromatic amines catalyzed by a homochiral metal-organic framework","Chem.Commun.","2013","49","","9836","","10.1039/c3cc45988h","","","0.71073","MoKα","","0.1308","0.0893","","","0.219","0.2404","","","","","","0.943","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109905","37.1603","0.0008","11.1559","0.0003","15.1723","0.0003","90","","90","","90","","6289.8","0.2","170","","170","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C140 H158 Cl N9 O6 -","- C140 H158 Cl N9 O6 -","- C280 H316 Cl2 N18 O12 -","2","0.5","","Dan A Kim; Philjae Kang; Moon-Gun Choi; Kyu-Sung Jeong","A chiral indolocarbazole foldamer displaying strong circular dichroism responsive to anion binding","Chem.Commun.","2013","49","","9743","","10.1039/c3cc45989f","","","1.54178","CuKα","","0.0906","0.0617","","","0.1587","0.1816","","","","","","1.063","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109906","11.6885","0.0002","16.3224","0.0002","17.9468","0.0003","90","","90","","90","","3423.97","0.09","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H27 I N3 O0.5 -","- C13 H27 I N3 O0.5 -","- C104 H216 I8 N24 O4 -","8","2","","Wenchao Chen; Wenguo Yang; Lin Yan; Choon-Hong Tan; Zhiyong Jiang","Bicyclic guanidinium-catalyzed enantioselective phase-transfer alkylation: direct access to pyrroloindolines and furoindolines","Chem.Commun.","2013","49","","9854","","10.1039/c3cc46111d","","","1.5418","CuKα","","0.0553","0.051","","","0.1269","0.132","","","","","","1.033","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7109907","12.5363","0.0004","12.5363","0.0004","43.668","0.002","90","","90","","90","","6862.8","0.4","90","2","90","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C68 H90 Cd2 I4 Li2 O3 -","- C68 H90 Cd2 I4 Li2 O3 -","- C272 H360 Cd8 I16 Li8 O12 -","4","0.5","","Benjamin M. Gridley; Toby J. Blundell; Graeme J. Moxey; William Lewis; Alexander J. Blake; Deborah L. Kays","Cubane and dicubane complexes stabilised by sterically demanding m-terphenyl ligands","Chem.Commun.","2013","49","","9752","","10.1039/c3cc46384b","","","0.71073","MoKα","","0.051","0.0408","","","0.0833","0.0885","","","","","","1.14","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109908","13.8697","0.0007","14.0269","0.0007","42.588","0.002","84.246","0.001","80.794","0.001","62.926","0.001","7278.9","0.6","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C77.5 H86.5 Cd3 Cl3.68 I0.32 Li O -","- C77.5 H86.5 Cd3 Cl3.6845 I0.3155 Li O -","- C310 H346 Cd12 Cl14.738 I1.262 Li4 O4 -","4","2","","Benjamin M. Gridley; Toby J. Blundell; Graeme J. Moxey; William Lewis; Alexander J. Blake; Deborah L. Kays","Cubane and dicubane complexes stabilised by sterically demanding m-terphenyl ligands","Chem.Commun.","2013","49","","9752","","10.1039/c3cc46384b","","","0.71073","MoKα","","0.082","0.0744","","","0.1479","0.151","","","","","","1.282","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109909","16.3276","0.0011","20.518","0.0015","17.4669","0.0012","90","","103.979","0.001","90","","5678.3","0.7","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C112 H132 Cd5 Cl8 Li2 O4 -","- C104 H116 Cd5 Cl8 Li2 O2 -","- C208 H232 Cd10 Cl16 Li4 O4 -","2","0.5","","Benjamin M. Gridley; Toby J. Blundell; Graeme J. Moxey; William Lewis; Alexander J. Blake; Deborah L. Kays","Cubane and dicubane complexes stabilised by sterically demanding m-terphenyl ligands","Chem.Commun.","2013","49","","9752","","10.1039/c3cc46384b","","","0.71073","MoKα","","0.12","0.0928","","","0.1978","0.2104","","","","","","1.193","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109910","12.565","0.005","18.761","0.007","13.508","0.005","90","","117.716","0.001","90","","2818.9","1.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32.5 B9 N2 P Rh S -","- C23 H32.5 B9 N2 P Rh S -","- C92 H130 B36 N8 P4 Rh4 S4 -","4","1","","Beatriz Calvo; Ramon Macias; Victor Polo; Maria Jose Artigas; Fernando J. Lahoz; Luis A. Oro","Heterolytic H2 activation on a carbene-ligated rhodathiaborane promoted by isonido-nido cage opening","Chem.Commun.","2013","49","","9863","","10.1039/c3cc45880f","","","0.71073","MoKα","","0.0888","0.0488","","","0.0877","0.1013","","","","","","1.027","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7109911","11.478","0.003","18.762","0.005","15.649","0.005","90","","98.586","0.004","90","","3332.2","1.6","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H38 B9 Cl2 N3 P Rh S -","- C29 H38 B9 Cl2 N3 P Rh S -","- C116 H152 B36 Cl8 N12 P4 Rh4 S4 -","4","1","","Beatriz Calvo; Ramon Macias; Victor Polo; Maria Jose Artigas; Fernando J. Lahoz; Luis A. Oro","Heterolytic H2 activation on a carbene-ligated rhodathiaborane promoted by isonido-nido cage opening","Chem.Commun.","2013","49","","9863","","10.1039/c3cc45880f","","","0.71073","MoKα","","0.0737","0.0548","","","0.1318","0.1458","","","","","","1.05","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109912","17.409","0.0007","3.6646","0.0001","19.9596","0.0009","90","","93.836","0.002","90","","1270.51","0.08","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N4 O6 -","- C12 H12 N4 O6 -","- C48 H48 N16 O24 -","4","0.5","","Ashutosh S. Singh; Shih-Sheng Sun","Recyclable nitrate-templated photochemical [2+2] cycloaddition reaction promoted by a tripodal receptor","Chem.Commun.","2013","49","","10070","","10.1039/c3cc41268g","","","0.71073","MoKα","","0.0315","0.0288","","","0.0761","0.0785","","","","","","1.048","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109913","7.3344","0.0008","10.0039","0.0011","10.361","0.0012","85.485","0.005","72.352","0.005","70.281","0.005","681.72","0.14","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 N8 O13 -","- C24 H24 N8 O12 -","- C24 H24 N8 O12 -","1","0.5","","Ashutosh S. Singh; Shih-Sheng Sun","Recyclable nitrate-templated photochemical [2+2] cycloaddition reaction promoted by a tripodal receptor","Chem.Commun.","2013","49","","10070","","10.1039/c3cc41268g","","","0.71073","MoKα","","0.0601","0.053","","","0.2083","0.2198","","","","","","0.957","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109914","9.362","0.0004","13.932","0.0003","14.019","0.0004","90","","90","0.001","90","","1828.52","0.1","100","0.1","100","0.1","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","0.5","","Ashutosh S. Singh; Shih-Sheng Sun","Recyclable nitrate-templated photochemical [2+2] cycloaddition reaction promoted by a tripodal receptor","Chem.Commun.","2013","49","","10070","","10.1039/c3cc41268g","","","0.71073","MoKα","","0.0362","0.033","","","0.0836","0.0863","","","","","","1.053","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109915","10.923","0.0008","14.4605","0.0011","24.1159","0.0018","90","","99.242","0.002","90","","3759.7","0.5","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","8-bromo-13-iodo-12-phenyl-6H-isoquinolino[2,1-a]quinazolin-6-one","","- C22 H12 Br I N2 O -","- C22 H12 Br I N2 O -","- C176 H96 Br8 I8 N16 O8 -","8","2","","Nitin T. Patil; Ashok Konala; Sudha Sravanti; Ashita Singh; Ramesh Ummanni; Balasubramanian Sridhar","Electrophile induced branching cascade: a powerful approach to access various molecular scaffolds and their exploration as novel anti-mycobacterial agents","Chem.Commun.","2013","49","","10109","","10.1039/c3cc45289a","","","0.71073","MoKα","","0.1153","0.0768","","","0.1295","0.1426","","","","","","1.147","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109916","10.0413","0.0009","20.0989","0.0019","10.6212","0.001","90","","113.579","0.001","90","","1964.6","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9-cyclohexenyl-10-iodo-14bH-imidazo[1,2-c]isoquinolino[2,1-a]quinazoline","","- C24 H20 I N3 -","- C24 H20 I N3 -","- C96 H80 I4 N12 -","4","1","","Nitin T. Patil; Ashok Konala; Sudha Sravanti; Ashita Singh; Ramesh Ummanni; Balasubramanian Sridhar","Electrophile induced branching cascade: a powerful approach to access various molecular scaffolds and their exploration as novel anti-mycobacterial agents","Chem.Commun.","2013","49","","10109","","10.1039/c3cc45289a","","","0.71073","MoKα","","0.0355","0.0323","","","0.0816","0.0836","","","","","","1.082","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109917","13.303","0.004","14.085","0.005","15.615","0.005","78.968","0.006","71.429","0.006","88.226","0.006","2720.8","1.5","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","13-iodo-8-methyl-phenyl-5-(phenylamino)-4bH-isoquinolino[2,1-a]quinazolin-6(5H) -one ethyl acetate solvate","","- C31 H26 I N3 O2 -","- C31 H26 I N3 O2 -","- C124 H104 I4 N12 O8 -","4","2","","Nitin T. Patil; Ashok Konala; Sudha Sravanti; Ashita Singh; Ramesh Ummanni; Balasubramanian Sridhar","Electrophile induced branching cascade: a powerful approach to access various molecular scaffolds and their exploration as novel anti-mycobacterial agents","Chem.Commun.","2013","49","","10109","","10.1039/c3cc45289a","","","0.71073","MoKα","","0.1125","0.0546","","","0.1243","0.1499","","","","","","0.98","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109918","11.8598","0.001","5.6497","0.0004","18.4376","0.0015","90","","90","","90","","1235.4","0.17","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C16 H13 N3 -","- C16 H13 N3 -","- C64 H52 N12 -","4","1","","Wenjun Li; Qianfa Jia; Zhiyun Du; Jian Wang","Direct access to triazole-olefins through catalytic cycloaddition of azides to unsaturated aldehydes","Chem.Commun.","2013","49","","10187","","10.1039/c3cc45306e","","","0.71073","MoKα","","0.0524","0.0499","","","0.1278","0.1299","","","","","","1.082","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109919","30.6554","0.0013","15.1602","0.0009","8.7821","0.001","90","","90","","90","","4081.4","0.6","293","2","293","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C168 H160 O40 -","8","","","Yu-Ying Ye; Ping-Xin Zhou; Jian-Yi Luo; Mei-Jin Zhong; Yong-Min Liang","Palladium-catalyzed insertion of alpha,beta-unsaturated N-tosylhydrazones and trapping with carbon nucleophiles","Chem.Commun.","2013","49","","10190","","10.1039/c3cc45583a","","","0.7107","MoKα","","0.0715","0.0603","","","0.1786","0.1883","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7109920","7.9515","0.0005","21.4155","0.0017","22.7131","0.0018","90","","98.226","0.007","90","","3827.9","0.5","296.01","0.12","296.01","0.12","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl O4 -","- C21 H19 Cl O4 -","- C168 H152 Cl8 O32 -","8","2","","Yu-Ying Ye; Ping-Xin Zhou; Jian-Yi Luo; Mei-Jin Zhong; Yong-Min Liang","Palladium-catalyzed insertion of alpha,beta-unsaturated N-tosylhydrazones and trapping with carbon nucleophiles","Chem.Commun.","2013","49","","10190","","10.1039/c3cc45583a","","","0.7107","MoKα","","0.1858","0.0731","","","0.134","0.1911","","","","","","1.02","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109921","14.1214","0.0012","10.6884","0.0007","14.2876","0.0013","90","","98.749","0.001","90","","2131.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N3 O -","- C27 H19 N3 O -","- C108 H76 N12 O4 -","4","1","","Bin Chen; Yubin Ding; Xin Li; Weihong Zhu; Jonathan P. Hill; Katsuhiko Ariga; Yongshu Xie","Steric hindrance-enforced distortion as a general strategy for the design of fluorescence 'turn-on' cyanide probes","Chem.Commun.","2013","49","","10136","","10.1039/c3cc46008h","","","0.71073","MoKα","","0.1319","0.0516","","","0.1161","0.1628","","","","","","1.048","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109922","25.741","0.002","12.1212","0.0011","11.4444","0.0012","90","","96.976","0.001","90","","3544.4","0.6","298","2","298","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C40 H38 N4 -","- C39.998 H37.997 N3.9995 -","- C159.992 H151.988 N15.998 -","4","1","","Bin Chen; Yubin Ding; Xin Li; Weihong Zhu; Jonathan P. Hill; Katsuhiko Ariga; Yongshu Xie","Steric hindrance-enforced distortion as a general strategy for the design of fluorescence 'turn-on' cyanide probes","Chem.Commun.","2013","49","","10136","","10.1039/c3cc46008h","","","0.71073","MoKα","","0.1266","0.0689","","","0.1742","0.2103","","","","","","0.917","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109923","6.1396","0.0012","7.5599","0.0015","30.535","0.006","90","","90","","90","","1417.3","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H6 F4 N4 O -","- C15 H5 F4 N4 O -","- C60 H20 F16 N16 O4 -","4","1","","Ben-Bo Ni; Kai Wang; Qifan Yan; Hao Chen; Yuguo Ma; Bo Zou","Pressure accelerated 1,3-dipolar cycloaddition of azide and alkyne groups in crystals","Chem.Commun.","2013","49","","10130","","10.1039/c3cc46153j","","","0.71073","MoKα","","0.1025","0.0386","","","0.0616","0.0701","","","","","","0.97","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109924","14.8808","0.0006","10.4392","0.0005","42.5523","0.0018","90","","91.527","0.001","90","","6607.9","0.5","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(Pyridin-1-ium-1-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C9 H7 F6 N O4 S2 -","- C9 H7 F6 N O4 S2 -","- C180 H140 F120 N20 O80 S40 -","20","5","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.0368","0.0307","","","0.0733","0.0767","","","","","","1.058","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109925","12.929","0.0014","10.0352","0.0011","12.0294","0.0013","90","","115.376","0.001","90","","1410.2","0.3","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-Methylpyridin-1-ium-1-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C10 H9 F6 N O4 S2 -","- C10 H9 F6 N O4 S2 -","- C40 H36 F24 N4 O16 S8 -","4","1","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.0312","0.0275","","","0.0701","0.0725","","","","","","1.045","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109926","12.8277","0.0011","10.1124","0.0008","12.5805","0.001","90","","116.396","0.001","90","","1461.8","0.2","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(2-Ethylpyridin-1-ium-1-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C11 H11 F6 N O4 S2 -","- C11 H11 F6 N O4 S2 -","- C44 H44 F24 N4 O16 S8 -","4","1","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.0278","0.026","","","0.0709","0.0723","","","","","","1.037","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109927","8.7218","0.0008","11.6643","0.0011","16.8924","0.0015","90","","91.927","0.001","90","","1717.6","0.3","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2-Isobutylpyridin-1-ium-1-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C13 H15 F6 N O4 S2 -","- C13 H15 F6 N O4 S2 -","- C52 H60 F24 N4 O16 S8 -","4","1","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.0275","0.026","","","0.0667","0.0678","","","","","","1.049","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109928","8.5646","0.0008","12.1042","0.0011","16.0084","0.0014","90","","101.864","0.001","90","","1624.1","0.3","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2-Isopropylpyridin-1-ium-1-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C12 H13 F6 N O4 S2 -","- C12 H13 F6 N O4 S2 -","- C48 H52 F24 N4 O16 S8 -","4","1","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.0293","0.0263","","","0.0673","0.0698","","","","","","1.046","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109929","9.6307","0.0012","10.092","0.0013","14.959","0.0019","90","","96.144","0.002","90","","1445.6","0.3","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2-Methoxylpyridin-1-ium-1-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C10 H9 F6 N O5 S2 -","- C10 H9 F6 N O5 S2 -","- C40 H36 F24 N4 O20 S8 -","4","1","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.0371","0.0309","","","0.0775","0.0816","","","","","","1.018","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109930","9.688","0.001","21.565","0.002","13.5597","0.0013","90","","101.453","0.001","90","","2776.5","0.5","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-(2-Fluoropyridin-1-ium-1-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C9 H6 F7 N O4 S2 -","- C9 H6 F7 N O4 S2 -","- C72 H48 F56 N8 O32 S16 -","8","2","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.0456","0.0375","","","0.1003","0.1067","","","","","","1.051","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109931","9.8403","0.0017","21.718","0.004","13.666","0.002","90","","103.359","0.002","90","","2841.6","0.8","90","","90","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2-(2-Chloropyridin-1-ium-1-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C9 H6 Cl F6 N O4 S2 -","- C9 H6 Cl F6 N O4 S2 -","- C72 H48 Cl8 F48 N8 O32 S16 -","8","1","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.0617","0.0374","","","0.0733","0.0807","","","","","","1.009","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109932","9.926","0.002","21.888","0.005","13.659","0.003","90","","103.046","0.003","90","","2891","1.1","90","","90","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2-(2-Bromopyridin-1-ium-1-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C9 H6 Br F6 N O4 S2 -","- C9 H6 Br F6 N O4 S2 -","- C72 H48 Br8 F48 N8 O32 S16 -","8","1","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.0373","0.0331","","","0.0687","0.0702","","","","","","0.987","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109933","18.3052","0.0016","11.2926","0.001","15.9199","0.0014","90","","106.743","0.001","90","","3151.3","0.5","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-(Quinolin-1-ium-1-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C13 H9 F6 N O4 S2 -","- C13 H9 F6 N O4 S2 -","- C104 H72 F48 N8 O32 S16 -","8","1","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.0539","0.0527","","","0.1493","0.1508","","","","","","1.053","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109934","33.764","0.003","8.8317","0.0007","20.2876","0.0015","90","","126.427","0.001","90","","4867.6","0.7","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","2-(2-Oxazol-3-ium-3-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C7 H5 F6 N O5 S2 -","- C7 H5 F6 N O5 S2 -","- C112 H80 F96 N16 O80 S32 -","16","2","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.0298","0.0266","","","0.0652","0.0673","","","","","","1.035","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109935","14.813","0.003","10.59","0.002","10.069","0.002","90","","120.578","0.003","90","","1359.9","0.5","90","","90","","","","","","","","","6","C 1 c 1","C -2yc","9","","2-(1-Methyl-1H-imidazol-3-ium-3-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan -1-ide","","- C8 H8 F6 N2 O4 S2 -","- C8 H8 F6 N2 O4 S2 -","- C32 H32 F24 N8 O16 S8 -","4","1","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.0213","0.0207","","","0.0513","0.0517","","","","","","1.051","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109936","11.1898","0.0014","12.4495","0.0015","12.4571","0.0015","90","","107.577","0.002","90","","1654.3","0.4","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(1-Butyl-1H-imidazol-3-ium-3-yl)-1,1-bis((trifluoromethyl)sulfonyl)ethan-1-ide","","- C11 H14 F6 N2 O4 S2 -","- C11 H14 F6 N2 O4 S2 -","- C44 H56 F24 N8 O16 S8 -","4","1","","Hikaru Yanai; Yoichi Takahashi; Haruhiko Fukaya; Yasuo Dobashi; Takashi Matsumoto","2-(Pyridinium-1-yl)-1,1-bis(triflyl)ethanides: structural behaviour and availability as bis(triflyl)ethylating reagents","Chem.Commun.","2013","49","","10091","","10.1039/c3cc46171h","","","0.71073","MoKα","","0.031","0.0288","","","0.0738","0.0754","","","","","","1.006","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109937","15.1083","0.0004","8.5584","0.0002","13.7695","0.0004","90","","100.36","0.0006","90","","1751.41","0.08","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl N3 Os S2 -","- C18 H12 Cl N3 Os S2 -","- C72 H48 Cl4 N12 Os4 S8 -","4","1","","Quan Tang; Wen-Xiu Ni; Chi-Fai Leung; Wai-Lun Man; Kenneth King-Kwan Lau; Yimin Liang; Yun-Wah Lam; Wai-Yeung Wong; Shie-Ming Peng; Gui-Jian Liu; Tai-Chu Lau","Synthesis and antitumor activity of a series of osmium(VI) nitrido complexes bearing quinolinolato ligands","Chem.Commun.","2013","49","","9980","","10.1039/c3cc42250j","","","0.71073","MoKα","","0.0819","0.0656","","","0.1644","0.1747","","","","","","1.03","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109938","10.1945","0.0005","14.7147","0.0008","21.1777","0.0011","90","","90.794","0.001","90","","3176.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 Cl3 N4 O3 Os -","- C25 H41 Cl3 N4 O3 Os -","- C100 H164 Cl12 N16 O12 Os4 -","4","1","","Quan Tang; Wen-Xiu Ni; Chi-Fai Leung; Wai-Lun Man; Kenneth King-Kwan Lau; Yimin Liang; Yun-Wah Lam; Wai-Yeung Wong; Shie-Ming Peng; Gui-Jian Liu; Tai-Chu Lau","Synthesis and antitumor activity of a series of osmium(VI) nitrido complexes bearing quinolinolato ligands","Chem.Commun.","2013","49","","9980","","10.1039/c3cc42250j","","","0.71073","MoKα","","0.033","0.0283","","","0.0759","0.0786","","","","","","1.025","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109939","10.2298","0.0006","14.3648","0.0009","21.76","0.0013","90","","95.469","0.001","90","","3183.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 Cl4 N3 O Os -","- C25 H41 Cl4 N3 O Os -","- C100 H164 Cl16 N12 O4 Os4 -","4","1","","Quan Tang; Wen-Xiu Ni; Chi-Fai Leung; Wai-Lun Man; Kenneth King-Kwan Lau; Yimin Liang; Yun-Wah Lam; Wai-Yeung Wong; Shie-Ming Peng; Gui-Jian Liu; Tai-Chu Lau","Synthesis and antitumor activity of a series of osmium(VI) nitrido complexes bearing quinolinolato ligands","Chem.Commun.","2013","49","","9980","","10.1039/c3cc42250j","","","0.71073","MoKα","","0.0557","0.032","","","0.074","0.0814","","","","","","0.926","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109940","12.0599","0.0012","22.474","0.002","7.8012","0.0008","90","","101.598","0.001","90","","2071.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 N2 P2 Pt -","- C50 H38 N2 P2 Pt -","- C100 H76 N4 P4 Pt2 -","2","0.5","","Xing Li; Xiuhua Zhao; Jie Zhang; Yayun Zhao","Assembly of a multilayer film and catalytic application in Suzuki cross-coupling reaction based on synergistic effects of a conjugated organometallic pyridyl Pt(C[triple bond, length as m-dash]C)2 moiety with palladium","Chem.Commun.","2013","49","","10004","","10.1039/c3cc44439b","","","0.71073","MoKα","","0.0354","0.0276","","","0.0717","0.0755","","","","","","1.177","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109941","11.0391","0.0005","16.4909","0.0008","30.2689","0.0014","90","","90","","90","","5510.3","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C29 H29 Au B Cl Mn O2 P -","- C29 H29 Au B Cl Mn O2 P -","- C232 H232 Au8 B8 Cl8 Mn8 O16 P8 -","8","2","","Holger Braunschweig; Krzysztof Radacki; Rong Shang","sigma-coordination of metal-boryl bonds to gold(I)","Chem.Commun.","2013","49","","9905","","10.1039/c3cc45455j","","","0.71073","MoKα","","0.0445","0.0365","","","0.0711","0.0734","","","","","","1.095","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109942","14.0823","0.0005","15.4623","0.0006","14.7133","0.0005","90","","112.001","0.001","90","","2970.44","0.19","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C29 H47 Au B Cl Mn O2 P -","- C29 H47 Au B Cl Mn O2 P -","- C116 H188 Au4 B4 Cl4 Mn4 O8 P4 -","4","1","","Holger Braunschweig; Krzysztof Radacki; Rong Shang","sigma-coordination of metal-boryl bonds to gold(I)","Chem.Commun.","2013","49","","9905","","10.1039/c3cc45455j","","","0.71073","MoKα","","0.0329","0.0246","","","0.0545","0.0572","","","","","","1.039","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109943","9.3841","0.0003","12.9033","0.0005","13.751","0.0005","73.591","0.001","81.102","0.001","85.273","0.001","1576.69","0.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H36 Au B Cl Mn N2 O2 -","- C34 H36 Au B Cl Mn N2 O2 -","- C68 H72 Au2 B2 Cl2 Mn2 N4 O4 -","2","1","","Holger Braunschweig; Krzysztof Radacki; Rong Shang","sigma-coordination of metal-boryl bonds to gold(I)","Chem.Commun.","2013","49","","9905","","10.1039/c3cc45455j","","","0.71073","MoKα","","0.0226","0.0194","","","0.0439","0.0449","","","","","","1.043","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109944","12.7891","0.0007","28.6933","0.0015","11.9318","0.0006","90","","104.934","0.003","90","","4230.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(9-Carboxamide)-N-(4-amino-2,2,6,6-tetramethylpiperidinooxy)-7,12-dihydroindolo- [3,2-d][1]benzazepin-6(5H)-ylidene)-N'-(1-pyridin-2-yl-ethyliden]azin-5-ide- chlorido-copper(II) tetrahydrofurane solvate","","- C66 H70 Cl2 Cu2 N14 O4 -","- C66 H70 Cl2 Cu2 N14 O4 -","- C132 H140 Cl4 Cu4 N28 O8 -","2","0.5","","Anatolie Dobrov; Simone Goschl; Michael A. Jakupec; Ana Popovic-Bijelic; Astrid Graslund; Peter Raptad; Vladimir B. Arion","A highly cytotoxic modified paullone ligand bearing a TEMPO free-radical unit and its copper(II) complex as potential hR2 RNR inhibitors","Chem.Commun.","2013","49","","10007","","10.1039/c3cc45743e","","","0.71073","MoKα","","0.0856","0.0554","","","0.1434","0.1531","","","","","","1.014","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109945","8.2863","0.0005","5.3781","0.0002","10.7167","0.0006","90","","111.191","0.006","90","","445.29","0.04","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- Cl F O7 Pb2 Se2 Ti -","- Cl F O7 Pb2 Se2 Ti -","- Cl2 F2 O14 Pb4 Se4 Ti2 -","2","1","","Xue-Li Cao; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","Pb2TiOF(SeO3)2Cl and Pb2NbO2(SeO3)2Cl: small changes in structure induced a very large SHG enhancement","Chem.Commun.","2013","49","","9965","","10.1039/c3cc45747h","","","0.71073","MoKα","","0.0342","0.033","","","0.075","0.0756","","","","","","1.055","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109946","8.511","0.0005","5.4148","0.0002","10.73","0.0006","90","","111.753","0.007","90","","459.28","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- Cl Nb O8 Pb2 Se2 -","- Cl Nb O8 Pb2 Se2 -","- Cl2 Nb2 O16 Pb4 Se4 -","2","1","","Xue-Li Cao; Chun-Li Hu; Xiang Xu; Fang Kong; Jiang-Gao Mao","Pb2TiOF(SeO3)2Cl and Pb2NbO2(SeO3)2Cl: small changes in structure induced a very large SHG enhancement","Chem.Commun.","2013","49","","9965","","10.1039/c3cc45747h","","","0.71073","MoKα","","0.0333","0.0313","","","0.068","0.0686","","","","","","1.062","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109947","14.1335","0.001","5.6166","0.0004","22.091","0.0016","90","","107.335","0.001","90","","1674","0.2","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ubql08","","","- C17 H10 N4 S4 -","- C17 H10 N4 S4 -","- C68 H40 N16 S16 -","4","1","","Peng An; Zhipeng Yu; Qing Lin","Design of oligothiophene-based tetrazoles for laser-triggered photoclick chemistry in living cells","Chem.Commun.","2013","49","","9920","","10.1039/c3cc45752d","","","0.71073","MoKα","","0.0828","0.0498","","","0.1128","0.1283","","","","","","1.023","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109948","5.721","0.0006","6.5534","0.0007","17.6873","0.0019","90","","91.855","0.002","90","","662.78","0.12","100","0.5","100","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ubql09","","","- C13 H8 N4 S3 -","- C13 H8 N4 S3 -","- C26 H16 N8 S6 -","2","0.5","","Peng An; Zhipeng Yu; Qing Lin","Design of oligothiophene-based tetrazoles for laser-triggered photoclick chemistry in living cells","Chem.Commun.","2013","49","","9920","","10.1039/c3cc45752d","","","0.71073","MoKα","","0.0508","0.0364","","","0.0951","0.1025","","","","","","1.046","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109949","14.249","0.003","15.131","0.003","14.177","0.003","90","","90","","90","","3056.6","1.1","140","2","140","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H39 N O5 S2 -","- C32 H39 N O5 S2 -","- C128 H156 N4 O20 S8 -","4","1","","Jiaqi Zhang; Jiayu Jin; Lei Zou; He Tian","Reversible photo-controllable gels based on bisthienylethene-doped lecithin micelles","Chem.Commun.","2013","49","","9926","","10.1039/c3cc45805a","","","0.71073","MoKα","","0.1675","0.0711","","","0.1147","0.1402","","","","","","1.056","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109950","8.5277","0.0008","11.7075","0.0012","24.388","0.002","87.45","0.004","88.887","0.004","81.918","0.004","2408.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O5 -","- C26 H30 N2 O5 -","- C104 H120 N8 O20 -","4","2","","Tista Sengupta; Saikat Khamarui; Srikanta Samanta; Dilip K. Maiti","Synthetically useful noncatalytic strategy: a stereocontrolled rapid cyclization of a three component system to afford hexahydropyrrolizines","Chem.Commun.","2013","49","","9962","","10.1039/c3cc45820b","","","0.71073","MoKα","","0.0937","0.0563","","","0.1484","0.1751","","","","","","1.026","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109951","13.131","0.007","16.402","0.009","11.331","0.006","90","","109.361","0.007","90","","2302","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O6 -","- C27 H24 N2 O6 -","- C108 H96 N8 O24 -","4","1","","Tista Sengupta; Saikat Khamarui; Srikanta Samanta; Dilip K. Maiti","Synthetically useful noncatalytic strategy: a stereocontrolled rapid cyclization of a three component system to afford hexahydropyrrolizines","Chem.Commun.","2013","49","","9962","","10.1039/c3cc45820b","","","0.71073","MoKα","","0.0716","0.049","","","0.1229","0.1466","","","","","","0.999","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109952","8.3887","0.0017","8.7163","0.0017","16.596","0.003","85.72","0.03","78.58","0.03","75.7","0.03","1152.2","0.4","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H21 N3 -","- C32 H21 N3 -","- C64 H42 N6 -","2","1","","Dong Liu; Zhenyu Zhang; Hongyu Zhang; Yue Wang","A novel approach towards white photoluminescence and electroluminescence by controlled protonation of a blue fluorophore","Chem.Commun.","2013","49","","10001","","10.1039/c3cc45991h","","","0.71073","MoKα","","0.1206","0.0528","","","0.1133","0.139","","","","","","0.968","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109953","9.2387","0.0009","11.4941","0.0011","11.8575","0.0011","64.434","0.002","69.34","0.002","84.039","0.002","1061.07","0.18","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C23 H25 F3 N2 O3 -","- C23 H25 F3 N2 O3 -","- C46 H50 F6 N4 O6 -","2","2","","Renshi Luo; Jianhua Liao; Ling Xie; Wenjun Tang; Albert S. C. Chan","Asymmetric ring-opening of oxabenzonorbornadiene with amines promoted by a chiral iridium-monophosphine catalyst","Chem.Commun.","2013","49","","9959","","10.1039/c3cc46009f","","","0.71073","MoKα","","0.058","0.047","","","0.1212","0.1317","","","","","","1.022","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109954","6.17114","0.00012","12.3956","0.0002","24.5886","0.0004","90","","90","","90","","1880.9","0.06","120","2","120.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 N2 O -","- C18 H30 N2 O -","- C72 H120 N8 O4 -","4","1","","Michael S. Perryman; Matthew E. Harris; Jade L. Foster; Anushka Joshi; Guy J. Clarkson; David J. Fox","Trichloromethyl ketones: asymmetric transfer hydrogenation and subsequent Jocic-type reactions with amines","Chem.Commun.","2013","49","","10022","","10.1039/c3cc46070c","","","1.5418","CuKα","","0.0615","0.0613","","","0.1607","0.1608","","","","","","1.202","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109955","4.89752","0.00009","11.8626","0.0002","28.4357","0.0006","90","","90","","90","","1652.04","0.05","150","2","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 Cl N2 O -","- C16 H23 Cl N2 O -","- C64 H92 Cl4 N8 O4 -","4","1","","Michael S. Perryman; Matthew E. Harris; Jade L. Foster; Anushka Joshi; Guy J. Clarkson; David J. Fox","Trichloromethyl ketones: asymmetric transfer hydrogenation and subsequent Jocic-type reactions with amines","Chem.Commun.","2013","49","","10022","","10.1039/c3cc46070c","","","1.5418","CuKα","","0.0421","0.0389","","","0.0994","0.1033","","","","","","1.051","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109956","9.83139","0.00007","12.10798","0.0001","18.33461","0.00015","90","","95.0265","0.0007","90","","2174.13","0.03","150","2","150.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl2 N2 O -","- C24 H24 Cl2 N2 O -","- C96 H96 Cl8 N8 O4 -","4","2","","Michael S. Perryman; Matthew E. Harris; Jade L. Foster; Anushka Joshi; Guy J. Clarkson; David J. Fox","Trichloromethyl ketones: asymmetric transfer hydrogenation and subsequent Jocic-type reactions with amines","Chem.Commun.","2013","49","","10022","","10.1039/c3cc46070c","","","1.5418","CuKα","","0.0491","0.0479","","","0.1302","0.1322","","","","","","1.021","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109957","9.875","0.002","14.021","0.003","14.292","0.003","89.9","0.03","87.03","0.03","84.22","0.03","1966.1","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C71.5 H8 S5 -","- C71.5 H8 S5 -","- C143 H16 S10 -","2","1","","Taishan Wang; Xiaxia Liao; Jizheng Wang; Chunru Wang; Mei-Yee Chan; Vivian Wing-Wah Yam","Indan-C60: from a crystalline molecule to photovoltaic application","Chem.Commun.","2013","49","","9923","","10.1039/c3cc46252h","","","0.71073","MoKα","","0.0556","0.0514","","","0.151","0.1556","","","","","","0.919","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7109958","11.698","0.002","18.52","0.004","32.653","0.007","90","","94.53","0.03","90","","7052","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 Cl2 F7 N5 O2 P Ru -","- C29 H35 Cl2 F7 N5 O2 P Ru -","- C232 H280 Cl16 F56 N40 O16 P8 Ru8 -","8","2","","Wei Zheng; Qun Luo; Yu Lin; Yao Zhao; Xiuli Wang; Zhifeng Du; Xiang Hao; Yang Yu; Shuang Lu; Liyun Ji; Xianchan Li; Ling Yang; Fuyi Wang","Complexation with organometallic ruthenium pharmacophores enhances the ability of 4-anilinoquinazolines inducing apoptosis","Chem.Commun.","2013","49","","10224","","10.1039/c3cc43000f","","","0.71073","MoKα","","0.128","0.1027","","","0.249","0.2675","","","","","","1.128","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109959","12.7974","0.0016","13.9384","0.0019","22.801","0.002","93.117","0.004","91.872","0.004","113.996","0.006","3703.4","0.8","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H59 Cu4 I4 O9.86 P4 -","- C62 H59 Cu4 I4 O9.86 P4 -","- C124 H118 Cu8 I8 O19.72 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Hua-bin Zhang; Xiang-Ying Qian; Lian Chen; Ming-Yan Wu; Shaeel A. AL-Thabaiti; Mao-Chun Hong","A solid AND logic stimuli-responsive material with bright nondestructive performance designed by sensitive cuprophilicity","Chem.Commun.","2013","49","","10227","","10.1039/c3cc43241f","","","0.71073","MoKα","","0.0827","0.0589","","","0.1488","0.1687","","","","","","1.058","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109960","13.3894","0.0008","14.728","0.0009","10.9907","0.0007","90","","96.691","0.002","90","","2152.6","0.2","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C19 H27 Cl2 Fe N4 O2 -","- C19 H27 Cl2 Fe N4 O2 -","- C76 H108 Cl8 Fe4 N16 O8 -","4","1","","Sayanti Chatterjee; Debobrata Sheet; Tapan Kanti Paine","Catalytic and regiospecific extradiol cleavage of catechol by a biomimetic iron complex","Chem.Commun.","2013","49","","10251","","10.1039/c3cc44124e","","","0.71073","MoKα","","0.0231","0.0205","","","0.063","0.0786","","","","","","1.181","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109961","5.7467","0.0005","17.9631","0.0016","20.3944","0.0019","90","","90","","90","","2105.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 Cu N7 O10 -","- C16 H17 Cu N7 O10 -","- C64 H68 Cu4 N28 O40 -","4","1","","Ying Zhao; Dong-Sheng Deng; Lu-Fang Ma; Bao-Ming Jib; Li-Ya Wang","A new copper-based metal-organic framework as a promising heterogeneous catalyst for chemo- and regio-selective enamination of beta-ketoesters","Chem.Commun.","2013","49","","10299","","10.1039/c3cc45310c","","","0.71073","MoKα","","0.0327","0.0277","","","0.0697","0.072","","","","","","1.057","","","","has coordinates","288197","2023-12-08","18:09:39",""
"7109962","9.9732","0.0002","15.1013","0.0003","16.27","0.0003","90","","102.662","0.001","90","","2390.8","0.08","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H41 O3 P -","- C23 H41 O3 P -","- C92 H164 O12 P4 -","4","1","","Takashi Ando; Yuki Kohno; Nobuhumi Nakamura; Hiroyuki Ohno","Introduction of hydrophilic groups onto the ortho-position of benzoate anions induced phase separation of the corresponding ionic liquids with water","Chem.Commun.","2013","49","","10248","","10.1039/c3cc45671d","","","1.54187","CuKα","","0.0701","0.067","","","0.1952","0.1982","","","","","","1.149","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109963","6.5851","0.0005","16.5308","0.001","11.7122","0.001","90","","93.64","0.01","90","","1272.38","0.17","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 B F4 N2 -","- C12 H14 B F4 N2 -","- C48 H56 B4 F16 N8 -","4","1","","Nicolas Leblanc; Nicolas Mercier; Oksana Toma; Abdel Hadi Kassiba; Leokadiya Zorina; Pascale Auban-Senzier; Claude Pasquier","Unprecedented stacking of MV^2+^ dications and MV^.+^ radical cations in the mixed-valence viologen salt (MV)2(BF4)3 (MV = methylviologen)","Chem.Commun.","2013","49","","10272","","10.1039/c3cc45690k","","x-ray","0.71073","MoKα","","0.1271","0.0608","","","0.114","0.1421","","","","","","1.012","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109964","24.767","0.006","10.4678","0.0012","12.913","0.003","90","","121.425","0.014","90","","2856.7","1.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 B3 F12 N4 -","- C24 H28 B3 F12 N4 -","- C96 H112 B12 F48 N16 -","4","0.5","","Nicolas Leblanc; Nicolas Mercier; Oksana Toma; Abdel Hadi Kassiba; Leokadiya Zorina; Pascale Auban-Senzier; Claude Pasquier","Unprecedented stacking of MV^2+^ dications and MV^.+^ radical cations in the mixed-valence viologen salt (MV)2(BF4)3 (MV = methylviologen)","Chem.Commun.","2013","49","","10272","","10.1039/c3cc45690k","","x-ray","0.71073","MoKα","","0.1464","0.0612","","","0.1435","0.1706","","","","","","1.012","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109965","5.7604","0.0001","8.8646","0.0001","14.8902","0.0002","90","","94.975","0.002","90","","757.483","0.019","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B2 F8 N2 -","- C12 H14 B2 F8 N2 -","- C24 H28 B4 F16 N4 -","2","0.5","","Nicolas Leblanc; Nicolas Mercier; Oksana Toma; Abdel Hadi Kassiba; Leokadiya Zorina; Pascale Auban-Senzier; Claude Pasquier","Unprecedented stacking of MV^2+^ dications and MV^.+^ radical cations in the mixed-valence viologen salt (MV)2(BF4)3 (MV = methylviologen)","Chem.Commun.","2013","49","","10272","","10.1039/c3cc45690k","","x-ray","0.71073","MoKα","","0.1559","0.0654","","","0.1363","0.1681","","","","","","1.004","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109966","20.1931","0.0014","20.0328","0.0012","3.9753","0.0003","90","","90","","90","","1608.11","0.19","200","2","200","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H14 Br N O -","- C21 H14 Br N O -","- C84 H56 Br4 N4 O4 -","4","1","","Yi-Ling Tsai; Yu-Shiou Fan; Chia-Jui Lee; Chan-Hui Huang; Utpal Das; Wenwei Lin","An efficient synthesis of trisubstituted oxazoles via chemoselective O-acylations and intramolecular Wittig reactions","Chem.Commun.","2013","49","","10266","","10.1039/c3cc45883k","","","0.71073","MoKα","","0.0554","0.0434","","","0.0959","0.1002","","","","","","1.065","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109967","4.989","0.0012","19.768","0.006","16.305","0.005","90","","92.553","0.007","90","","1606.4","0.8","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 Br N O -","- C21 H14 Br N O -","- C84 H56 Br4 N4 O4 -","4","1","","Yi-Ling Tsai; Yu-Shiou Fan; Chia-Jui Lee; Chan-Hui Huang; Utpal Das; Wenwei Lin","An efficient synthesis of trisubstituted oxazoles via chemoselective O-acylations and intramolecular Wittig reactions","Chem.Commun.","2013","49","","10266","","10.1039/c3cc45883k","","","0.71073","MoKα","","0.1269","0.0522","","","0.1126","0.1664","","","","","","1.029","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109968","9.9367","0.0017","10.1803","0.0018","18.333","0.003","77.518","0.009","87.401","0.007","73.963","0.008","1740","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cl N O2 -","- C22 H16 Cl N O2 -","- C88 H64 Cl4 N4 O8 -","4","2","","Yi-Ling Tsai; Yu-Shiou Fan; Chia-Jui Lee; Chan-Hui Huang; Utpal Das; Wenwei Lin","An efficient synthesis of trisubstituted oxazoles via chemoselective O-acylations and intramolecular Wittig reactions","Chem.Commun.","2013","49","","10266","","10.1039/c3cc45883k","","","0.71073","MoKα","","0.0966","0.055","","","0.1565","0.2182","","","","","","0.754","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109969","9.433","0.002","9.695","0.003","17.073","0.004","99.234","0.005","94.192","0.005","104.966","0.005","1478.1","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 F3 N O2 -","- C17 H12 F3 N O2 -","- C68 H48 F12 N4 O8 -","4","2","","Yi-Ling Tsai; Yu-Shiou Fan; Chia-Jui Lee; Chan-Hui Huang; Utpal Das; Wenwei Lin","An efficient synthesis of trisubstituted oxazoles via chemoselective O-acylations and intramolecular Wittig reactions","Chem.Commun.","2013","49","","10266","","10.1039/c3cc45883k","","","0.71073","MoKα","","0.0843","0.0529","","","0.1177","0.1352","","","","","","1.031","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109970","6.0403","0.0011","7.9754","0.0011","17.197","0.002","90","","97.53","0.01","90","","821.3","0.2","200","2","200","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C19 H25 N O -","- C19 H25 N O -","- C38 H50 N2 O2 -","2","1","","Yi-Ling Tsai; Yu-Shiou Fan; Chia-Jui Lee; Chan-Hui Huang; Utpal Das; Wenwei Lin","An efficient synthesis of trisubstituted oxazoles via chemoselective O-acylations and intramolecular Wittig reactions","Chem.Commun.","2013","49","","10266","","10.1039/c3cc45883k","","","0.71073","MoKα","","0.0503","0.0391","","","0.0945","0.1152","","","","","","1.108","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109971","12.1142","0.0003","12.4636","0.0005","14.25","0.0006","90.687","0.002","98.514","0.002","109.92","0.002","1996.02","0.13","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C41 H63 Ge N2 P Se -","- C41 H63 Ge N2 P Se -","- C82 H126 Ge2 N4 P2 Se2 -","2","1","","Eric C. Y. Tam; Lisa M. Harris; Elliot S. Borren; J. David Smith; Matthias Lein; Martyn P. Coles; J. Robin Fulton","Why compete when you can share? Competitive reactivity of germanium and phosphorus with selenium","Chem.Commun.","2013","49","","10278","","10.1039/c3cc45954c","","x-ray","0.71073","MoKα","","0.0785","0.0463","","","0.0911","0.1017","","","","","","1.014","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109972","13.1356","0.0003","18.3304","0.0003","20.4944","0.0005","90","","103.174","0.001","90","","4804.79","0.18","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H71 Ge N2 P Se2 -","- C48 H71 Ge N2 P Se2 -","- C192 H284 Ge4 N8 P4 Se8 -","4","1","","Eric C. Y. Tam; Lisa M. Harris; Elliot S. Borren; J. David Smith; Matthias Lein; Martyn P. Coles; J. Robin Fulton","Why compete when you can share? Competitive reactivity of germanium and phosphorus with selenium","Chem.Commun.","2013","49","","10278","","10.1039/c3cc45954c","","x-ray","0.71073","MoKα","","0.0575","0.0366","","","0.0755","0.0825","","","","","","0.997","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109973","10.082","0.0001","21.7333","0.0004","21.973","0.0004","90.274","0.001","93.478","0.001","92.394","0.001","4801.43","0.13","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C103 H150 Ge2 N4 P2 Se2 -","- C103 H150 Ge2 N4 P2 Se2 -","- C206 H300 Ge4 N8 P4 Se4 -","2","1","","Eric C. Y. Tam; Lisa M. Harris; Elliot S. Borren; J. David Smith; Matthias Lein; Martyn P. Coles; J. Robin Fulton","Why compete when you can share? Competitive reactivity of germanium and phosphorus with selenium","Chem.Commun.","2013","49","","10278","","10.1039/c3cc45954c","","x-ray","0.71073","MoKα","","0.0795","0.0561","","","0.1411","0.1538","","","","","","0.985","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109974","15.235","0.003","6.1555","0.0011","15.923","0.003","90","","109.641","0.008","90","","1406.4","0.5","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H21 N O4 -","- C14 H21 N O4 -","- C56 H84 N4 O16 -","4","1","","Azusa Kondoh; Kenichi Ando; Masahiro Terada","Phosphazene-catalyzed intramolecular cyclization of nitrogen-tethered alkynyl esters","Chem.Commun.","2013","49","","10254","","10.1039/c3cc46100a","","","0.71075","MoKα","","","0.0366","","","","0.0964","","","","","","1.051","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109975","9.7782","0.0006","10.1868","0.0006","25.4096","0.0014","90","","90","","90","","2531","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","XXU-33-BrCl","Organics","","- C27 H25 Br Cl N O4 -","- C27 H25 Br Cl N O4 -","- C108 H100 Br4 Cl4 N4 O16 -","4","1","","Xinfang Xu; Peter J. Zavalij; Michael P. Doyle","A donor-acceptor cyclopropene as a dipole source for a silver(I) catalyzed asymmetric catalytic [3+3]-cycloaddition with nitrones","Chem.Commun.","2013","49","","10287","","10.1039/c3cc46415f","","","0.71073","MoKα","","0.0302","0.0254","","","0.0485","0.0498","","","","","","1","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109976","3.497","0.002","17.157","0.012","10.822","0.007","90","","92.697","0.01","90","","648.6","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","guanidinium dinitromethanide","","- C2 H7 N5 O4 -","- C2 H7 N5 O4 -","- C8 H28 N20 O16 -","4","1","","Ling He; Guo-Hong Tao; Damon A. Parrish; Jean'ne M. Shreeve","Impact insensitive dinitromethanide salts","Chem.Commun.","2013","49","","10329","","10.1039/c3cc46518g","","","0.71073","MoKα","","0.0842","0.053","","","0.131","0.1462","","","","","","1.043","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109977","9.379","0.003","24.518","0.007","14.931","0.004","90","","94.889","0.005","90","","3421","1.7","153","","153","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H35 Cl3 N2 O2 -","- C39 H35 Cl3 N2 O2 -","- C156 H140 Cl12 N8 O8 -","4","2","","Ryo Katoono; Hidetoshi Kawai; Masakazu Ohkita; Kenshu Fujiwar; Takanori Suzuki","A C3-symmetric chiroptical molecular propeller based on hexakis(phenylethynyl)benzene with a threefold terephthalamide: stereospecific propeller generation through the cooperative transmission of point chiralities on the host and guest upon complexation","Chem.Commun.","2013","49","","10352","","10.1039/c3cc43571g","","","0.71075","MoKα","","","0.045","","","","0.1333","","","","","","0.93","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109978","17.002","0.009","8.839","0.005","20.361","0.012","90","","112.614","0.0019","90","","2825","3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H34 N P Si -","- C34 H34 N P Si -","- C136 H136 N4 P4 Si4 -","4","1","","Kano, Naokazu; Yanaizumi, Kazuhide; Meng, Xiangtai; Havare, Nizam; Kawashima, Takayuki","Synthesis of a phosphine imide bearing a hydrosilane moiety, and its water-driven reduction to a phosphine","Chemical Communications (Cambridge, United Kingdom)","2013","49","88","10373","10375","10.1039/c3cc43955k","","","0.7107","MoKα","","0.0529","0.0402","","","0.0354","0.039","","","","","","0.79","","","","has coordinates","275224","2022-05-08","22:07:33",""
"7109979","8.745","0.002","16.531","0.004","16.017","0.004","90","","97.8059","0.0011","90","","2294","1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H32 N P Si -","- C25 H32 N P Si -","- C100 H128 N4 P4 Si4 -","4","1","","Kano, Naokazu; Yanaizumi, Kazuhide; Meng, Xiangtai; Havare, Nizam; Kawashima, Takayuki","Synthesis of a phosphine imide bearing a hydrosilane moiety, and its water-driven reduction to a phosphine","Chemical Communications (Cambridge, United Kingdom)","2013","49","88","10373","10375","10.1039/c3cc43955k","","","0.7107","MoKα","","0.0363","0.0335","","","0.0908","0.0928","","","","","","1.076","","","","has coordinates","275224","2022-05-08","22:07:33",""
"7109980","10.1884","0.0004","7.2885","0.0003","9.9017","0.0004","90","","96.65","0.002","90","","730.34","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 B2 N4 -","- C16 H20 B2 N4 -","- C32 H40 B4 N8 -","2","0.5","","Xiaochen Xie; Christopher J. Adams; Muhsen A. M. Al-Ibadi; John E. McGrady; Nicholas C. Norman; Christopher A. Russell","A polycyclic borazine radical cation: [1,2-B2{1,2-(MeN)2C6H4}2]^.+^","Chem.Commun.","2013","49","","10364","","10.1039/c3cc44990d","","","0.71073","MoKα","","0.0493","0.0396","","","0.1087","0.1156","","","","","","1.066","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109981","15.4396","0.0011","14.1144","0.0009","20.102","0.0012","90","","94.047","0.004","90","","4369.7","0.5","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Al B2 F36 N4 O4 -","- C32 H20 Al B2 F36 N4 O4 -","- C128 H80 Al4 B8 F144 N16 O16 -","4","1","","Xiaochen Xie; Christopher J. Adams; Muhsen A. M. Al-Ibadi; John E. McGrady; Nicholas C. Norman; Christopher A. Russell","A polycyclic borazine radical cation: [1,2-B2{1,2-(MeN)2C6H4}2]^.+^","Chem.Commun.","2013","49","","10364","","10.1039/c3cc44990d","","","0.71073","MoKα","","0.0881","0.0516","","","0.1106","0.1251","","","","","","1.037","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109982","13.6201","0.0003","13.7861","0.0003","13.8277","0.0003","85.265","0.002","79.447","0.002","78.335","0.001","2496.97","0.1","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","TIDSPtPPh32","","- C62 H51 N O2 P2 Pt S2 -","- C62 H51 N O2 P2 Pt S2 -","- C124 H102 N2 O4 P4 Pt2 S4 -","2","1","","Takafumi Nakagawa; Tsuyoshi Suzuki; Matthias Konig; Dirk M. Guldi; Yutaka Matsu","Synthesis, photophysical properties, and excited state dynamics of a platinum complex of tetracene imide disulfide","Chem.Commun.","2013","49","","10394","","10.1039/c3cc46068a","","x-ray","1.54178","CuKα","","0.0514","0.0461","","","0.0993","0.1047","","","","","","1.151","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109983","8.6119","0.0003","9.9168","0.0003","12.4569","0.0004","70.64","0.002","77.402","0.002","77.618","0.002","967.79","0.06","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C21 H19 F3 O5 -","- C21 H19 F3 O5 -","- C42 H38 F6 O10 -","2","2","","Ruben Tejero; Alberto Ponce; Javier Adrio; Juan C. Carretero","Ni-Catalyzed [8+3] cycloaddition of tropones with 1,1-cyclopropanediesters","Chem.Commun.","2013","49","","10406","","10.1039/c3cc45552a","","","1.54178","CuKα","","0.0575","0.0397","","","0.1049","0.116","","","","","","0.999","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7109984","24.778","0.012","15.194","0.008","15.2","0.007","90","","97.601","0.012","90","","5672","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 N4 O7 Sm -","- C34 H22 N4 O7 Sm -","- C272 H176 N32 O56 Sm8 -","8","1","","Yi-Hua Zhang; Xia Li; Shuang Song","White light emission based on a single component Sm(III) framework and a two component Eu(III)-doped Gd(III) framework constructed from 2,2'-diphenyl dicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","Chem.Commun.","2013","49","","10397","","10.1039/c3cc46397d","","","0.71073","MoKα","","0.181","0.0736","","","0.1048","0.1421","","","","","","0.93","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109985","24.8251","0.0013","15.1782","0.0008","15.1878","0.0009","90","","97.767","0.001","90","","5670.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Eu N4 O7 -","- C34 H22 Eu N4 O7 -","- C272 H176 Eu8 N32 O56 -","8","1","","Yi-Hua Zhang; Xia Li; Shuang Song","White light emission based on a single component Sm(III) framework and a two component Eu(III)-doped Gd(III) framework constructed from 2,2'-diphenyl dicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","Chem.Commun.","2013","49","","10397","","10.1039/c3cc46397d","","","0.71073","MoKα","","0.0516","0.0351","","","0.0769","0.0843","","","","","","1.027","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109986","24.833","0.006","15.143","0.003","15.16","0.003","90","","97.889","0.006","90","","5647","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Gd N4 O7 -","- C34 H22 Gd N4 O7 -","- C272 H176 Gd8 N32 O56 -","8","1","","Yi-Hua Zhang; Xia Li; Shuang Song","White light emission based on a single component Sm(III) framework and a two component Eu(III)-doped Gd(III) framework constructed from 2,2'-diphenyl dicarboxylate and 1H-imidazo[4,5-f][1,10]-phenanthroline","Chem.Commun.","2013","49","","10397","","10.1039/c3cc46397d","","","0.71073","MoKα","","0.1569","0.0678","","","0.1143","0.1512","","","","","","0.943","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109987","23.293","0.006","16.237","0.004","8.172","0.002","90","","91.277","0.004","90","","3090","1.3","103.15","","103","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H30 Ce N3 O9 S3 -","- C30 H16 Ce N3 O9 S3 -","- C120 H64 Ce4 N12 O36 S12 -","4","1","","Takashi Kajiwara; Masakazu Higuchi; Akihiro Yuasa; Hideyuki Higashimura; Susumu Kitagawa","One-dimensional alignment of strong Lewis acid sites in a porous coordination polymer","Chem.Commun.","2013","49","","10459","","10.1039/c3cc43384f","","","0.71075","MoKα","","0.0537","0.0514","","","0.141","0.1495","","","","","","1.177","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109988","23.241","0.01","16.264","0.007","8.206","0.004","90","0.006","91.544","0.006","90","0.006","3101","2","103.15","","103","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H30 La N3 O9 S3 -","- C30 H30 La N3 O9 S3 -","- C120 H120 La4 N12 O36 S12 -","4","1","","Takashi Kajiwara; Masakazu Higuchi; Akihiro Yuasa; Hideyuki Higashimura; Susumu Kitagawa","One-dimensional alignment of strong Lewis acid sites in a porous coordination polymer","Chem.Commun.","2013","49","","10459","","10.1039/c3cc43384f","","","0.71075","MoKα","","0.0412","0.0377","","","0.1035","0.1235","","","","","","1.219","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109989","14.746","0.004","19.91","0.004","19.522","0.004","90","","90","","90","","5732","2","93","","93","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H39 Cl2 Cu N2 -","- C27 H39 Cl2 Cu N2 -","- C216 H312 Cl16 Cu8 N16 -","8","2","","Orlando Santoro; Alba Collado; Alexandra M. Z. Slawin; Steven P. Nolan; Catherine S. J. Cazin","A general synthetic route to [Cu(X)(NHC)] (NHC = N-heterocyclic carbene, X = Cl, Br, I) complexes","Chem.Commun.","2013","49","","10483","","10.1039/c3cc45488f","","","0.71075","MoKα","","","0.0421","","","","0.14","","","","","","0.726","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109990","8.572","0.004","15.885","0.007","15.852","0.006","90","","100.145","0.013","90","","2124.8","1.6","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 Cl2 Cu N2 -","- C21 H25 Cl2 Cu N2 -","- C84 H100 Cl8 Cu4 N8 -","4","1","","Orlando Santoro; Alba Collado; Alexandra M. Z. Slawin; Steven P. Nolan; Catherine S. J. Cazin","A general synthetic route to [Cu(X)(NHC)] (NHC = N-heterocyclic carbene, X = Cl, Br, I) complexes","Chem.Commun.","2013","49","","10483","","10.1039/c3cc45488f","","","0.71075","MoKα","","","0.1122","","","","0.3803","","","","","","1.077","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109991","8.388","0.003","16.503","0.005","15.847","0.005","90","","100.157","0.007","90","","2159.3","1.2","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 Cl2 Cu N2 -","- C21 H27 Cl2 Cu N2 -","- C84 H108 Cl8 Cu4 N8 -","4","1","","Orlando Santoro; Alba Collado; Alexandra M. Z. Slawin; Steven P. Nolan; Catherine S. J. Cazin","A general synthetic route to [Cu(X)(NHC)] (NHC = N-heterocyclic carbene, X = Cl, Br, I) complexes","Chem.Commun.","2013","49","","10483","","10.1039/c3cc45488f","","","0.71075","MoKα","","","0.0504","","","","0.1546","","","","","","0.874","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109992","23.087","0.012","9.877","0.004","16.619","0.008","90","","114.446","0.011","90","","3450","3","93","","93","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H25 Cl2 Cu N2 -","- C15 H25 Cl2 Cu N2 -","- C120 H200 Cl16 Cu8 N16 -","8","1","","Orlando Santoro; Alba Collado; Alexandra M. Z. Slawin; Steven P. Nolan; Catherine S. J. Cazin","A general synthetic route to [Cu(X)(NHC)] (NHC = N-heterocyclic carbene, X = Cl, Br, I) complexes","Chem.Commun.","2013","49","","10483","","10.1039/c3cc45488f","","","0.71075","MoKα","","","0.0428","","","","0.1007","","","","","","0.974","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109993","20.1753","0.0004","20.1753","0.0004","25.0329","0.0006","90","","90","","120","","8824.3","0.3","228","2","228","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","MTAF-4","","","- C108 H60 N36 O35 Zn18 -","- C108 H60 N36 O35 Zn18 -","- C108 H60 N36 O35 Zn18 -","1","0.0416667","","Wen-Yang Gao; Rong Cai; Le Meng; Lukasz Wojtas; Wei Zhou; Taner Yildirim; Xiaodong Shi; Shengqian Ma","Quest for a highly connected robust porous metal-organic framework on the basis of a bifunctional linear linker and a rare heptanuclear zinc cluster","Chem.Commun.","2013","49","","10516","","10.1039/c3cc45986a","","","1.54178","CuKα","","0.0812","0.0615","","","0.1832","0.1947","","","","","","1.046","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109994","10.018","0.002","14.641","0.004","15.057","0.005","78.61","0.02","77.69","0.02","83.52","0.03","2109.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H46 O4 Zn3 -","- C52 H46 O4 Zn3 -","- C104 H92 O8 Zn6 -","2","1","","Piotr Sobota; Rafal Petrus; Karolina Zelga; Lukasz Makolski; Dominik Kubicki; Janusz Lewinski","Probing secondary coordination sphere influence on the oxygenation of zinc alkyls: formation of a unique zinc peroxide species","Chem.Commun.","2013","49","","10477","","10.1039/c3cc46206d","","","0.71073","MoKα","","0.0608","0.0345","","","0.0687","0.0727","","","","","","0.871","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109995","17.903","0.003","22.986","0.004","39.788","0.005","91.26","0.02","91.15","0.03","94.1","0.03","16324","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C122.42 H102.84 Cl4.84 O18 Zn8 -","- C122.419 H102.837 Cl4.83733 O18 Zn8 -","- C734.512 H617.024 Cl29.024 O108 Zn48 -","6","3","","Piotr Sobota; Rafal Petrus; Karolina Zelga; Lukasz Makolski; Dominik Kubicki; Janusz Lewinski","Probing secondary coordination sphere influence on the oxygenation of zinc alkyls: formation of a unique zinc peroxide species","Chem.Commun.","2013","49","","10477","","10.1039/c3cc46206d","","","0.71073","MoKα","","0.1402","0.0635","","","0.1592","0.1858","","","","","","1.031","","","","has coordinates,has disorder","180205","2020-10-21","18:00:00",""
"7109996","14.5029","0.0004","16.1542","0.0005","15.0028","0.0005","90","","107.744","0.003","90","","3347.69","0.19","143.05","0.1","143.05","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N2 O5 -","- C38 H48 N2 O5 -","- C152 H192 N8 O20 -","4","1","","Daobin Yang; Qianqian Yang; Lin Yang; Qian Luo; Yan Huang; Zhiyun Lu; Suling Zhao","Novel high performance asymmetrical squaraines for small molecule organic solar cells with a high open circuit voltage of 1.12 V","Chem.Commun.","2013","49","","10465","","10.1039/c3cc46217j","","","0.7107","MoKα","","0.0937","0.054","","","0.1016","0.1183","","","","","","1.015","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109997","19.297","0.002","14.3767","0.0017","24.546","0.003","90","","90","","90","","6809.7","1.4","140","2","140","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C42 H38 N2 O5 -","- C42 H38 N2 O5 -","- C336 H304 N16 O40 -","8","1","","Daobin Yang; Qianqian Yang; Lin Yang; Qian Luo; Yan Huang; Zhiyun Lu; Suling Zhao","Novel high performance asymmetrical squaraines for small molecule organic solar cells with a high open circuit voltage of 1.12 V","Chem.Commun.","2013","49","","10465","","10.1039/c3cc46217j","","","0.71073","MoKα","","0.1119","0.0516","","","0.1304","0.1664","","","","","","0.983","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109998","6.2128","0.0012","7.6144","0.0015","21.845","0.004","90.82","0.03","94.38","0.03","103.62","0.03","1000.9","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Br N O5 S -","- C21 H22 Br N O5 S -","- C42 H44 Br2 N2 O10 S2 -","2","1","","Hongxia Zhao; Xiangtai Meng; You Huang","One step synthesis of benzoxazepine derivatives via a PPh3 catalyzed aza-MBH domino reaction between salicyl N-tosylimines and allenoates","Chem.Commun.","2013","49","","10513","","10.1039/c3cc46379f","","","0.71073","MoKα","","0.0437","0.0301","","","0.0721","0.0768","","","","","","0.978","","","","has coordinates","180205","2020-10-21","18:00:00",""
"7109999","7.5579","0.0006","12.338","0.001","18.5927","0.0012","90","","90","","90","","1733.8","0.2","291","2","291.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N -","- C23 H19 N -","- C92 H76 N4 -","4","1","","Jinhai Shen; Guolin Cheng; Xiuling Cui","'One pot' regiospecific synthesis of polysubstituted pyrroles from benzylamines and ynones under metal free conditions","Chem.Commun.","2013","49","","10641","","10.1039/c3cc43844a","","","0.7107","MoKα","","0.0839","0.0599","","","0.1336","0.1548","","","","","","1.047","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7110000","7.5359","0.0011","12.7094","0.0013","18.19","0.002","90","","90","","90","","1742.2","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N -","- C23 H19 N -","- C92 H76 N4 -","4","1","","Jinhai Shen; Guolin Cheng; Xiuling Cui","'One pot' regiospecific synthesis of polysubstituted pyrroles from benzylamines and ynones under metal free conditions","Chem.Commun.","2013","49","","10641","","10.1039/c3cc43844a","","","0.7107","MoKα","","0.1014","0.0645","","","0.1413","0.1717","","","","","","1.046","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110001","6.1065","0.0004","7.7764","0.0006","16.7309","0.001","90","","99.353","0.006","90","","783.93","0.09","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H15 N S -","- C20 H15 N S -","- C40 H30 N2 S2 -","2","1","","Jinhai Shen; Guolin Cheng; Xiuling Cui","'One pot' regiospecific synthesis of polysubstituted pyrroles from benzylamines and ynones under metal free conditions","Chem.Commun.","2013","49","","10641","","10.1039/c3cc43844a","","","0.71073","MoKα","","0.0564","0.0429","","","0.118","0.1325","","","","","","0.843","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110002","11.066","0.003","12.217","0.003","22.205","0.006","78.017","0.004","79.887","0.004","80.575","0.004","2865.6","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H61 Cl F6 P5 W -","- C66 H61 Cl F6 P5 W -","- C132 H122 Cl2 F12 P10 W2 -","2","1","","Cesar A. Morales-Verdejo; Michael I. Newsom; Brian W. Cohen; Hunter B. Vibbert; Michael D. Hopkins","Dihydrogen activation by a tungsten-alkylidyne complex: toward photoredox chromophores that deliver renewable reducing equivalents","Chem.Commun.","2013","49","","10566","","10.1039/c3cc45606d","","","0.71073","MoKα","","0.0426","0.0357","","","0.0784","0.0806","","","","","","1.018","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110003","4.83104","0.00013","7.1526","0.0002","38.765","0.0012","90","","90.42","0.003","90","","1339.47","0.07","200","0.1","200","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H48 Cl N3 O4 -","- C22 H48 Cl N3 O4 -","- C44 H96 Cl2 N6 O8 -","2","1","","Cristina Berdugo; Juan F. Miravet; Beatriu Escuder","Substrate selective catalytic molecular hydrogels: the role of the hydrophobic effect","Chem.Commun.","2013","49","","10608","","10.1039/c3cc45623d","","","1.5418","CuKα","","0.0596","0.0495","","","0.1543","0.1916","","","","","","1.085","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110004","8.669","0.002","20.723","0.005","10.75","0.003","90","","106.14","0.02","90","","1855.1","0.8","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","","Xiaoyu Yan; Kun Fang; Hailan Liu; Chanjuan Xi","Copper-catalyzed oxidation of arene-fused cyclic amines to cyclic imides","Chem.Commun.","2013","49","","10650","","10.1039/c3cc45869e","","","0.71073","MoKα","","0.0994","0.0528","","","0.0881","0.1026","","","","","","1.062","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110005","7.6053","0.0009","9.7866","0.0009","23.4727","0.0018","90","","90","","90","","1747.1","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 Br N O5 S -","- C17 H16 Br N O5 S -","- C68 H64 Br4 N4 O20 S4 -","4","1","","Kalisankar Bera; Irishi N. N. Namboothiri","Enantioselective synthesis of alpha-nitro-delta-ketosulfones via a quinine-squaramide catalyzed conjugate addition of alpha-nitrosulfones to enones","Chem.Commun.","2013","49","","10632","","10.1039/c3cc45985c","","","0.71073","MoKα","","0.0319","0.0285","","","0.0615","0.063","","","","","","0.941","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110006","15.7431","0.0005","15.7431","0.0005","12.5624","0.0005","90","","90","","120","","2696.4","0.16","200","0.14","200","0.14","","","","","","","","5","P 63 c m","P 6c -2","185","","","","- C53 H72 B3 F12 N6 -","- C53 H72 B3 F12 N6 -","- C106 H144 B6 F24 N12 -","2","0.166667","","Candela Segarra; Jens Linke; Elena Mas-Marza; Dietmar Kuck; Eduardo Peris","A C3v-symmetrical tribenzotriquinacene-based threefold N-heterocyclic carbene. Coordination to rhodium(I) and stereoelectronic properties","Chem.Commun.","2013","49","","10572","","10.1039/c3cc46155f","","","1.5418","CuKα","","0.0754","0.0696","","","0.1947","0.2093","","","","","","1.026","","","","has coordinates,has disorder","180214","2020-10-21","18:00:00",""
"7110007","24.1267","0.0004","24.1267","0.0004","11.3077","0.0004","90","","90","","90","","6582.2","0.3","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C14 H9 Cu2 O13 S2 -","- C14 H9 Cu2 O13 S2 -","- C112 H72 Cu16 O104 S16 -","8","1","","Xi-Yan Dong; Rui Wang; Jia-Bin Li; Shuang-Quan Zang; Hong-Wei Hou; Thomas C. W. Mak","A tetranuclear Cu4(mu3-OH)2-based metal-organic framework (MOF) with sulfonate-carboxylate ligands for proton conduction","Chem.Commun.","2013","49","","10590","","10.1039/c3cc46226a","","","0.71073","MoKα","","0.0684","0.0509","","","0.1369","0.1449","","","","","","1.005","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110008","9.3837","0.0004","9.3837","0.0004","30.344","0.003","90","","90","","90","","2671.9","0.3","293","2","293","2","","","","","","","","6","P 43","P 4cw","78","","","","- C19 H34 Cl N5 O12 Zn -","- C19 H24 Cl N5 O12 Zn -","- C76 H96 Cl4 N20 O48 Zn4 -","4","1","","Yuehong Wen; Tianlu Sheng; Shengmin Hu; Xiao Ma; Chunhong Tan; Yanlong Wang; Zhihao Sun; Zhenzhen Xue; Xintao Wu","Intercalation of chiral molecules into layered metal-organic frameworks: a strategy to synthesize homochiral MOFs","Chem.Commun.","2013","49","","10644","","10.1039/c3cc46230g","","","0.71073","MoKα","","0.0738","0.0626","","","0.1589","0.1691","","","","","","1.062","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110009","9.368","0.003","9.368","0.003","30.389","0.016","90","","90","","90","","2666.9","1.9","293","2","293","2","","","","","","","","6","P 41","P 4w","76","","","","- C19 H34 Cl N5 O12 Zn -","- C19 H24 Cl N5 O12 Zn -","- C76 H96 Cl4 N20 O48 Zn4 -","4","1","","Yuehong Wen; Tianlu Sheng; Shengmin Hu; Xiao Ma; Chunhong Tan; Yanlong Wang; Zhihao Sun; Zhenzhen Xue; Xintao Wu","Intercalation of chiral molecules into layered metal-organic frameworks: a strategy to synthesize homochiral MOFs","Chem.Commun.","2013","49","","10644","","10.1039/c3cc46230g","","","0.71073","MoKα","","0.0724","0.0607","","","0.1512","0.1619","","","","","","1.066","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110010","37.4447","0.0004","37.4447","0.0004","37.4447","0.0004","90","","90","","90","","52501.4","1","120","2","120","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C30 H20 Fe N6 S2 -","- C30 H4 Fe N6 S2 -","- C720 H96 Fe24 N144 S48 -","24","0.125","","Feng Shao; Jia Li; Jia-Ping Tong; Jian Zhang; Ming-Guang Chen; Zhiping Zheng; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao","A boracite metal-organic framework displaying selective gas sorption and guest-dependent spin-crossover behaviour","Chem.Commun.","2013","49","","10730","","10.1039/c3cc45180a","","","1.54178","CuKα","","0.1456","0.1294","","","0.3534","0.3696","","","","","","1.133","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110011","37.4018","0.0002","37.4018","0.0002","37.4018","0.0002","90","","90","","90","","52321.2","0.5","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C30 H20 Fe N6 Se2 -","- C30 H4 Fe N6 Se2 -","- C720 H96 Fe24 N144 Se48 -","24","0.125","","Feng Shao; Jia Li; Jia-Ping Tong; Jian Zhang; Ming-Guang Chen; Zhiping Zheng; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao","A boracite metal-organic framework displaying selective gas sorption and guest-dependent spin-crossover behaviour","Chem.Commun.","2013","49","","10730","","10.1039/c3cc45180a","","","1.54178","CuKα","","0.0644","0.0609","","","0.2033","0.2089","","","","","","1.109","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110012","13.5501","0.0017","13.4406","0.0017","10.7332","0.0013","90","","98.124","0.002","90","","1935.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O2 -","- C25 H18 N2 O2 -","- C100 H72 N8 O8 -","4","1","","Jian Li; Shikuan Su; Mengyuan Huang; Boyi Song; Chunju Li; Xueshun Jia","Unexpected isocyanide-based cascade cycloaddition reaction with methyleneindolinone","Chem.Commun.","2013","49","","10694","","10.1039/c3cc46237d","","","0.71073","MoKα","","0.0988","0.0606","","","0.1349","0.1655","","","","","","1.066","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110013","8.514","0.0009","13.6267","0.0014","18.6805","0.0019","90","","100.829","0.001","90","","2128.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","1","","Jian Li; Shikuan Su; Mengyuan Huang; Boyi Song; Chunju Li; Xueshun Jia","Unexpected isocyanide-based cascade cycloaddition reaction with methyleneindolinone","Chem.Commun.","2013","49","","10694","","10.1039/c3cc46237d","","","0.71073","MoKα","","0.0546","0.0399","","","0.1002","0.1102","","","","","","1.033","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110014","15.341","0.003","8.1615","0.0013","17.193","0.003","90","","105.999","0.002","90","","2069.3","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Cl N2 O2 -","- C25 H17 Cl N2 O2 -","- C100 H68 Cl4 N8 O8 -","4","1","","Jian Li; Shikuan Su; Mengyuan Huang; Boyi Song; Chunju Li; Xueshun Jia","Unexpected isocyanide-based cascade cycloaddition reaction with methyleneindolinone","Chem.Commun.","2013","49","","10694","","10.1039/c3cc46237d","","","0.71073","MoKα","","0.0584","0.0457","","","0.1012","0.1106","","","","","","1.083","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110015","10.4494","0.0016","21.949","0.003","40.981","0.006","90","","100.677","0.004","90","","9236","2","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2C70 2ET CS2","","","- C80.5 H8 S9 -","- C80.5 H8 S9 -","- C644 H64 S72 -","8","2","","Kamran B. Ghiassi; Marilyn M. Olmstead; Alan L. Balch","Orientational variation, solvate composition and molecular flexibility in well-ordered cocrystals of the fullerene C70 with bis(ethylenedithio)tetrathiafulvalene","Chem.Commun.","2013","49","","10721","","10.1039/c3cc46367b","","","0.71073","MoKα","","0.0579","0.0403","","","0.0931","0.1037","","","","","","1.028","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7110016","17.371","0.005","13.622","0.004","21.418","0.006","90","","106.801","0.003","90","","4852","2","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C70 ET benzene","","","- C86 H14 S8 -","- C86 H14 S8 -","- C344 H56 S32 -","4","0.5","","Kamran B. Ghiassi; Marilyn M. Olmstead; Alan L. Balch","Orientational variation, solvate composition and molecular flexibility in well-ordered cocrystals of the fullerene C70 with bis(ethylenedithio)tetrathiafulvalene","Chem.Commun.","2013","49","","10721","","10.1039/c3cc46367b","","","0.71073","MoKα","","0.0339","0.0303","","","0.0815","0.0844","","","","","","1.055","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7110017","14.984","0.004","16.186","0.003","16.922","0.003","69.906","0.013","89.631","0.017","79.211","0.014","3778.7","1.5","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H46 Au N2 O2.5 -","- C31 H45 Au N2 O2.5 -","- C124 H180 Au4 N8 O10 -","4","2","","Alba Collado; Adrian Gomez-Suarez; Yoshihiro Oonishi; Alexandra M. Z. Slawin; Steven P. Nolan","Synthesis, characterisation, and oxygen atom transfer reactions involving the first gold(I)-alkylperoxo complexes","Chem.Commun.","2013","49","","10745","","10.1039/c3cc47030j","","","0.71075","MoKα","","","0.0897","","","","0.2537","","","","","","1.126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110018","31.468","0.006","31.468","0.009","22.212","0.005","90","","90","","120","0.019","19048","9","173","","173","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C31 H49 Au N2 O3 -","- C31 H47 Au N2 O3 -","- C558 H846 Au18 N36 O54 -","18","1","","Alba Collado; Adrian Gomez-Suarez; Yoshihiro Oonishi; Alexandra M. Z. Slawin; Steven P. Nolan","Synthesis, characterisation, and oxygen atom transfer reactions involving the first gold(I)-alkylperoxo complexes","Chem.Commun.","2013","49","","10745","","10.1039/c3cc47030j","","","0.71075","MoKα","","","0.0916","","","","0.2501","","","","","","1.156","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110019","13.9737","0.0011","11.6625","0.0009","17.3011","0.0013","90","","109.767","0.001","90","","2653.4","0.4","173","2","173.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H44 N P3 Ru -","- C21 H44 N P3 Ru -","- C84 H176 N4 P12 Ru4 -","4","1","","Amrendra K. Singh; Benjamin G. Levine; Richard J. Staples; Aaron L. Odom","A 4-coordinate Ru(II) imido: unusual geometry, synthesis, and reactivity","Chem.Commun.","2013","49","","10799","","10.1039/c3cc46596a","","","0.71073","MoKα","","0.0454","0.0316","","","0.0686","0.0751","","","","","","1.028","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110020","10.4473","0.0002","16.2159","0.0002","17.587","0.0002","90","","90","","90","","2979.46","0.08","173","2","173.15","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H44 Cu I N P3 Ru -","- C21 H44 Cu I N P3 Ru -","- C84 H176 Cu4 I4 N4 P12 Ru4 -","4","1","","Amrendra K. Singh; Benjamin G. Levine; Richard J. Staples; Aaron L. Odom","A 4-coordinate Ru(II) imido: unusual geometry, synthesis, and reactivity","Chem.Commun.","2013","49","","10799","","10.1039/c3cc46596a","","","0.71073","MoKα","","0.0674","0.0425","","","0.061","0.0693","","","","","","0.991","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110021","10.1761","0.0014","16.041","0.002","10.2601","0.0014","90","","109.369","0.002","90","","1580","0.4","173","2","173.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26 H54 N3 P3 Ru -","- C26 H56 N3 P3 Ru -","- C52 H112 N6 P6 Ru2 -","2","1","","Amrendra K. Singh; Benjamin G. Levine; Richard J. Staples; Aaron L. Odom","A 4-coordinate Ru(II) imido: unusual geometry, synthesis, and reactivity","Chem.Commun.","2013","49","","10799","","10.1039/c3cc46596a","","","0.71073","MoKα","","0.0907","0.0579","","","0.1109","0.1242","","","","","","1.01","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110022","10.4066","0.0007","21.1342","0.0015","17.1162","0.0012","90","","95.054","0.001","90","","3749.8","0.5","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H57 N2 O P3 Ru -","- C35 H57 N2 O P3 Ru -","- C140 H228 N8 O4 P12 Ru4 -","4","1","","Amrendra K. Singh; Benjamin G. Levine; Richard J. Staples; Aaron L. Odom","A 4-coordinate Ru(II) imido: unusual geometry, synthesis, and reactivity","Chem.Commun.","2013","49","","10799","","10.1039/c3cc46596a","","","0.71073","MoKα","","0.06","0.0392","","","0.0719","0.0786","","","","","","1.029","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110023","17.3703","0.0007","22.7046","0.0006","10.8435","0.0004","90","","95.275","0.003","90","","4258.4","0.3","183","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H106 D24 N4 Ni2 O4 -","- C96 H106 D24 N4 Ni2 O4 -","- C192 H212 D48 N8 Ni4 O8 -","2","0.5","","Christian Limberg; Christian Herwig; Beatrice Braun","Nickel(I)-mediated transformations of carbon dioxide in closed synthetic cycles: reductive cleavage and coupling of CO2 generating NiICO, NiIICO3 and NiIIC2O4NiII entities","Chem.Commun.","2013","49","","10923","","10.1039/c3cc45407j","","","0.71073","MoKα","","0.0479","0.0316","","","0.0667","0.0701","","","","","","1.004","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110024","11.136","0.009","6.875","0.006","15.243","0.012","90","","104.49","0.019","90","","1129.9","1.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H23 N3 O2 -","- C28 H23 N3 O2 -","- C56 H46 N6 O4 -","2","1","","Manickam Bakthadoss; Damodharan Kannan; Raman Selvakumar","A multicomponent cascade reaction for the synthesis of novel chromenopyranpyrazole scaffolds","Chem.Commun.","2013","49","","10947","","10.1039/c3cc45502e","","","0.71073","MoKα","","0.0495","0.0413","","","0.108","0.1158","","","","","","1.047","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110025","12.7564","0.0007","11.6471","0.0007","16.8758","0.0007","90","","106.642","0.003","90","","2402.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O5 -","- C29 H26 N2 O5 -","- C116 H104 N8 O20 -","4","1","","Manickam Bakthadoss; Damodharan Kannan; Raman Selvakumar","A multicomponent cascade reaction for the synthesis of novel chromenopyranpyrazole scaffolds","Chem.Commun.","2013","49","","10947","","10.1039/c3cc45502e","","","0.71073","MoKα","","0.0784","0.0442","","","0.1065","0.1228","","","","","","1.02","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110026","13.848","0.003","9.57","0.002","15.768","0.004","90","","94.215","0.005","90","","2084","0.8","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H60 N6 O8 -","- C38 H60 N6 O8 -","- C76 H120 N12 O16 -","2","1","","V. Haridas; Sandhya Sadanandan; M. V. S. Gopalakrishna; M. B. Bijesh; Ram. P. Verma; Srinivas Chinthalapalli; Ashutosh Shandilya","Bispidine as a helix inducing scaffold: examples of helically folded linear peptides","Chem.Commun.","2013","49","","10980","","10.1039/c3cc45649h","","","0.71073","MoKα","","0.1256","0.0945","","","0.2053","0.2225","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7110027","16.9124","0.0007","40.3","0.004","35.5336","0.0013","90","","90","","90","","24219","3","153","2","153","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C62 H64 Cl4 Fe N6 O5 S2 -","- C55 H40 Fe N6 S2 -","- C440 H320 Fe8 N48 S16 -","8","1","","Xiang-Yi Chen; Hai-Yan Shi; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao","Temperature, light and solvent-induced spin transition in a 3D 2-fold interpenetrated PtS-type porous coordination polymer","Chem.Commun.","2013","49","","10977","","10.1039/c3cc45691a","","","1.54184","CuKα","","0.1833","0.0938","","","0.2032","0.2304","","","","","","0.976","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110028","17.2737","0.0011","35.4221","0.0017","20.825","0.0017","90","","90","","90","","12742.2","1.5","200","2","200","2","","","","","","","","7","P b a n","-P 2ab 2b","50","","","","- C62 H64 Cl4 Fe N6 O5 S2 -","- C55 H40 Fe N6 S2 -","- C220 H160 Fe4 N24 S8 -","4","","","Xiang-Yi Chen; Hai-Yan Shi; Rong-Bin Huang; Lan-Sun Zheng; Jun Tao","Temperature, light and solvent-induced spin transition in a 3D 2-fold interpenetrated PtS-type porous coordination polymer","Chem.Commun.","2013","49","","10977","","10.1039/c3cc45691a","","","1.54184","CuKα","","0.204","0.111","","","0.2554","0.2977","","","","","","0.975","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110029","23.896","0.006","14.9259","0.0019","15.619","0.005","90","","129.108","0.015","90","","4323","2","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19.25 H17 Fe N14 O1.25 -","- C19.25 H17 Fe N14 O1.25 -","- C154 H136 Fe8 N112 O10 -","8","1","","Bernhard Schafer; Cyril Rajnak; Ivan Salitros; Olaf Fuhr; David Klar; Carolin Schmitz-Antoniak; Eugen Weschke; Heiko Wende; Mario Ruben","Room temperature switching of a neutral molecular iron(II) complex","Chem.Commun.","2013","49","","10986","","10.1039/c3cc46624h","","","0.71073","MoKα","","0.1035","0.0495","","","0.1175","0.1342","","","","","","0.847","","","","has coordinates,has disorder","180214","2020-10-21","18:00:00",""
"7110030","20.171","0.003","20.171","0.003","26.197","0.005","90","","90","","120","","9231","3","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C79 H48 N2 O36 Ti2 Zn6 -","- C79 H42 N2 O36 Ti2 Zn6 -","- C158 H84 N4 O72 Ti4 Zn12 -","2","0.166667","","Keunil Hong; Hyungphil Chun","Unprecedented and highly symmetric (6,8)-connected topology in a porous metal-organic framework through a Zn-Ti heterometallic approach","Chem.Commun.","2013","49","","10953","","10.1039/c3cc46761a","","","0.69999","Synchrotron","","0.1081","0.085","","","0.2453","0.2647","","","","","","0.997","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110031","8.0616","0.0016","10.147","0.002","26.551","0.005","90","","90","","90","","2171.9","0.7","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Br F3 N2 O4 -","- C23 H16 Br F3 N2 O4 -","- C92 H64 Br4 F12 N8 O16 -","4","1","","Neng-Jun Zhong; Feng Wei; Qing-Qing Xuan; Li Liu; Dong Wang; Yong-Jun Chen","Highly diastereo‒ and enantioselective [3+2] annulation of isatin-derived Morita-Baylis-Hillman carbonates with trifluoropyruvate catalyzed by tertiary amines","Chem.Commun.","2013","49","","11071","","10.1039/c3cc46490c","","","0.71073","MoKα","","0.0383","0.0346","","","0.0741","0.0759","","","","","","1.088","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110032","25.6621","0.0002","16.1587","0.0002","26.5745","0.0002","90","","113.21","0.002","90","","10127.7","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H77 N6 O19 Tb -","- C25 H20 N O8 Tb -","- C200 H160 N8 O64 Tb8 -","8","1","","Yun-Nan Gong; Long Jiang; Tong-Bu Lu","A highly stable dynamic fluorescent metal-organic framework for selective sensing of nitroaromatic explosives","Chem.Commun.","2013","49","","11113","","10.1039/c3cc46530f","","","1.54178","CuKα","","0.1006","0.0777","","","0.1746","0.1843","","","","","","1.094","","","","has coordinates,has disorder","180214","2020-10-21","18:00:00",""
"7110033","24.7463","0.0002","16.9612","0.0002","25.1036","0.0002","90","","116.887","0.002","90","","9397.6","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H43 O15 Tb -","- C23 H19 O9 Tb -","- C184 H152 O72 Tb8 -","8","1","","Yun-Nan Gong; Long Jiang; Tong-Bu Lu","A highly stable dynamic fluorescent metal-organic framework for selective sensing of nitroaromatic explosives","Chem.Commun.","2013","49","","11113","","10.1039/c3cc46530f","","","1.54178","CuKα","","0.0825","0.0678","","","0.1601","0.1676","","","","","","0.94","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110034","27.162","0.003","13.2751","0.0016","27.128","0.002","90","","108.438","0.009","90","","9279.6","1.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H47 O13 Tb -","- C23 H17 O8 Tb -","- C184 H136 O64 Tb8 -","8","1","","Yun-Nan Gong; Long Jiang; Tong-Bu Lu","A highly stable dynamic fluorescent metal-organic framework for selective sensing of nitroaromatic explosives","Chem.Commun.","2013","49","","11113","","10.1039/c3cc46530f","","","1.54178","CuKα","","0.0931","0.0777","","","0.1979","0.2114","","","","","","1.076","","","","has coordinates,has disorder","180214","2020-10-21","18:00:00",""
"7110035","25.9498","0.0002","15.6298","0.0002","26.8239","0.0002","90","","114.532","0.002","90","","9897.4","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H69 O13 Tb -","- C24 H19 O8 Tb -","- C192 H152 O64 Tb8 -","8","1","","Yun-Nan Gong; Long Jiang; Tong-Bu Lu","A highly stable dynamic fluorescent metal-organic framework for selective sensing of nitroaromatic explosives","Chem.Commun.","2013","49","","11113","","10.1039/c3cc46530f","","","1.54178","CuKα","","0.0972","0.0696","","","0.152","0.1605","","","","","","1.024","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110036","26.8247","0.0008","14.1562","0.0005","27.3046","0.001","90","","112.393","0.004","90","","9586.7","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H51 O11 Tb -","- C25 H21 O8 Tb -","- C200 H168 O64 Tb8 -","8","1","","Yun-Nan Gong; Long Jiang; Tong-Bu Lu","A highly stable dynamic fluorescent metal-organic framework for selective sensing of nitroaromatic explosives","Chem.Commun.","2013","49","","11113","","10.1039/c3cc46530f","","","1.54178","CuKα","","0.0602","0.0533","","","0.1354","0.1411","","","","","","0.974","","","","has coordinates,has disorder","180214","2020-10-21","18:00:00",""
"7110037","16.521","0.004","14.33","0.003","17.844","0.004","90","","115.215","0.005","90","","3822","1.5","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H33 Cl6 N3 O3 Pt S -","- C38 H33 Cl6 N3 O3 Pt S -","- C152 H132 Cl24 N12 O12 Pt4 S4 -","4","1","","Dhassida Sooksawat; Sarah J. Pike; Alexandra M. Z. Slawin; Paul J. Lusby","Acid-base responsive switching between '3+1' and '2+2' platinum complexes","Chem.Commun.","2013","49","","11077","","10.1039/c3cc46587j","","","0.71073","MoKα","","0.0696","0.0606","","","0.1515","0.1583","","","","","","1.116","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110038","7.402","0.002","18.424","0.005","13.588","0.004","90","","90.431","0.01","90","","1853","0.9","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 Pt -","- C24 H20 N2 Pt -","- C96 H80 N8 Pt4 -","4","1","","Dhassida Sooksawat; Sarah J. Pike; Alexandra M. Z. Slawin; Paul J. Lusby","Acid-base responsive switching between '3+1' and '2+2' platinum complexes","Chem.Commun.","2013","49","","11077","","10.1039/c3cc46587j","","","0.71073","MoKα","","0.0414","0.0302","","","0.0684","0.0756","","","","","","1.064","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110039","10.3265","0.001","13.6884","0.0013","15.3966","0.0012","110.841","0.006","107.42","0.005","95.035","0.005","1894.1","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C47 H48 N2 O4 Pt -","- C47 H48 N2 O4 Pt -","- C94 H96 N4 O8 Pt2 -","2","1","","Dhassida Sooksawat; Sarah J. Pike; Alexandra M. Z. Slawin; Paul J. Lusby","Acid-base responsive switching between '3+1' and '2+2' platinum complexes","Chem.Commun.","2013","49","","11077","","10.1039/c3cc46587j","","","0.71075","MoKα","","","0.0234","","","","0.0771","","","","","","1.199","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110040","14.906","0.003","25.081","0.005","18.215","0.003","90","","92.956","0.002","90","","6801","2","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H55 B F24 P Rh -","- C75 H55 B F24 P Rh -","- C300 H220 B4 F96 P4 Rh4 -","4","1","","Yousuke Ikeda; Koichi Takano; Shintaro Kodama; Youichi Ishii","1,4-Metal migration in a Cp*Rh(III) complex","Chem.Commun.","2013","49","","11104","","10.1039/c3cc46700g","","","0.71075","MoKα","","","0.0694","","","","0.1796","","","","","","1.028","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110041","12.5908","0.0018","15.472","0.003","17.459","0.003","65.085","0.005","70.167","0.006","81.773","0.007","2901.6","0.9","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H49 B F24 P Rh -","- C60 H49 B F24 P Rh -","- C120 H98 B2 F48 P2 Rh2 -","2","1","","Yousuke Ikeda; Koichi Takano; Shintaro Kodama; Youichi Ishii","1,4-Metal migration in a Cp*Rh(III) complex","Chem.Commun.","2013","49","","11104","","10.1039/c3cc46700g","","","0.71075","MoKα","","","0.0508","","","","0.1287","","","","","","1.101","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110042","13.909","0.003","17.236","0.004","31.046","0.007","90","","91.043","0.003","90","","7442","3","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C82 H59 B F24 O P Rh -","- C82 H59 B F24 O P Rh -","- C328 H236 B4 F96 O4 P4 Rh4 -","4","1","","Yousuke Ikeda; Koichi Takano; Shintaro Kodama; Youichi Ishii","1,4-Metal migration in a Cp*Rh(III) complex","Chem.Commun.","2013","49","","11104","","10.1039/c3cc46700g","","","0.71075","MoKα","","","0.0883","","","","0.2398","","","","","","1.025","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110043","17.8231","0.0003","25.0117","0.0017","9.9239","0.0001","90","","90","","90","","4423.9","0.3","295","2","295","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C43 H51 N6 O8 S -","- C43 H51 N6 O8 S -","- C172 H204 N24 O32 S4 -","4","1","","Qian Shao; Jiean Chen; Meihua Tu; David W. Piotrowski; Yong Huang","Enantioselective synthesis of 1,2,4-triazolines catalyzed by a cinchona alkaloid-derived organocatalyst","Chem.Commun.","2013","49","","11098","","10.1039/c3cc46757k","","","1.54187","CuKα","","0.0888","0.0793","","","0.2062","0.2168","","","","","","1.54","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110044","9.1798","0.0003","12.2585","0.0003","17.5678","0.0006","74.243","0.003","81.025","0.003","85.881","0.002","1878.43","0.1","153","2","153","2","","","","","","","","10","P -1","-P 1","2","","","","- C39 H24 Cl2 F6 Ir N6 O0 P S2 Se -","- C39 H24 Cl2 F6 Ir N6 P S2 Se -","- C78 H48 Cl4 F12 Ir2 N12 P2 S4 Se2 -","2","1","","Yu Chen; Liping Qiao; Bole Yu; Guanying Li; Liangnian Ji; Hui Chao","Mitochondria-specific phosphorescent imaging and tracking in living cells with an AIPE-active iridium(III) complex","Chem.Commun.","2013","49","","11095","","10.1039/c3cc46957c","","","1.54178","CuKα","","0.0559","0.0535","","","0.1466","0.148","","","","","","1.071","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110045","38.2369","0.001","38.2369","0.001","22.7356","0.0012","90","","90","","120","","28787.4","1.9","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C56 H95 In N6 O16 -","- C24 H15 In N O8 -","- C432 H270 In18 N18 O144 -","18","0.5","","Libo Sun; Hongzhu Xing; Zhiqiang Liang; Jihong Yu; Ruren Xu","A 4 + 4 strategy for synthesis of zeolitic metal-organic frameworks: an indium-MOF with SOD topology as a light-harvesting antenna","Chem.Commun.","2013","49","","11155","","10.1039/c3cc43383h","","","0.71073","MoKα","","0.1513","0.0448","","","0.0788","0.0878","","","","","","1.009","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110046","10.415","0.004","13.601","0.004","15.135","0.005","100.335","0.007","108.711","0.009","106.981","0.008","1851.7","1.1","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 N10 O2 -","- C38 H32 N10 O2 -","- C76 H64 N20 O4 -","2","1","","Saad Makhseed; Miloslav Machacek; Waleed Alfadly; Ahmad Tuhl; Mickey Vinodh; Tomas Simunek; Veronika Novakova; Pavel Kubat; Emil Rudolf; Petr Zimcik","Water-soluble non-aggregating zinc phthalocyanine and in vitro studies for photodynamic therapy","Chem.Commun.","2013","49","","11149","","10.1039/c3cc44609c","","","0.71075","MoKα","","","0.1423","","","","0.4437","","","","","","1.56","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110047","13.31","0.0007","15.3725","0.0007","23.689","0.0017","90","","90.067","0.007","90","","4847","0.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 I4 N10 O2 -","- C42 H44 I4 N10 O2 -","- C168 H176 I16 N40 O8 -","4","1","","Saad Makhseed; Miloslav Machacek; Waleed Alfadly; Ahmad Tuhl; Mickey Vinodh; Tomas Simunek; Veronika Novakova; Pavel Kubat; Emil Rudolf; Petr Zimcik","Water-soluble non-aggregating zinc phthalocyanine and in vitro studies for photodynamic therapy","Chem.Commun.","2013","49","","11149","","10.1039/c3cc44609c","","","0.71075","MoKα","","","0.0411","","","","0.1009","","","","","","1.054","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110048","19.2201","0.0005","9.6352","0.0003","17.0833","0.0005","90","","106.751","0.014","90","","3029.4","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 Cu N6 O16 -","- C28 H22 Cu N6 O16 -","- C112 H88 Cu4 N24 O64 -","4","0.5","","Gabriela Marinescu; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular tectonics: from crystals to crystals of crystals","Chem.Commun.","2013","49","","11209","","10.1039/c3cc45205k","","","0.71073","MoKα","","0.0887","0.0489","","","0.1203","0.1368","","","","","","1.069","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110049","19.1971","0.0005","9.631","0.0002","17.0962","0.0004","90","","106.581","0.011","90","","3029.4","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 N6 Ni O16 -","- C28 H22 N6 Ni O16 -","- C112 H88 N24 Ni4 O64 -","4","0.5","","Gabriela Marinescu; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular tectonics: from crystals to crystals of crystals","Chem.Commun.","2013","49","","11209","","10.1039/c3cc45205k","","","0.71073","MoKα","","0.0842","0.0482","","","0.1218","0.1405","","","","","","1.032","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110050","19.2791","0.0005","9.6312","0.0003","17.0771","0.0005","90","","107.809","0.014","90","","3018.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 N6 O16 Zn -","- C28 H30 N6 O16 Zn -","- C112 H120 N24 O64 Zn4 -","4","0.5","","Gabriela Marinescu; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular tectonics: from crystals to crystals of crystals","Chem.Commun.","2013","49","","11209","","10.1039/c3cc45205k","","","0.71073","MoKα","","0.0609","0.0429","","","0.1084","0.1178","","","","","","1.012","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7110051","19.2011","0.0005","9.647","0.0003","17.1082","0.0006","90","","107.494","0.004","90","","3022.43","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 Co N6 O16 -","- C28 H22 Co N6 O16 -","- C112 H88 Co4 N24 O64 -","4","0.5","","Gabriela Marinescu; Sylvie Ferlay; Nathalie Kyritsakas; Mir Wais Hosseini","Molecular tectonics: from crystals to crystals of crystals","Chem.Commun.","2013","49","","11209","","10.1039/c3cc45205k","","","0.71073","MoKα","","0.122","0.0517","","","0.1149","0.139","","","","","","1.002","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110052","8.3933","0.0017","10.672","0.002","13.178","0.003","90","","101.288","0.003","90","","1157.6","0.4","223","","223","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H13 Br F N O8 S2 -","- C21 H13 Br F N O8 S2 -","- C42 H26 Br2 F2 N2 O16 S4 -","2","1","","Hai Ma; Kohei Matsuzaki; Yu-Dong Yang; Etsuko Tokunaga; Daisuke Nakane; Tomohiro Ozawa; Hideki Masuda; Norio Shibata","Enantioselective monofluoromethylation of aldehydes with 2-fluoro-1,3-benzodithiole-1,1,3,3-tetraoxide catalyzed by a bifunctional cinchona alkaloid-derived thiourea-titanium complex","Chem.Commun.","2013","49","","11206","","10.1039/c3cc46544f","","","0.7107","MoKα","","","0.0415","","","","0.1147","","","","","","1.21","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110053","12.3345","0.0016","12.7158","0.0016","20.165","0.002","88.584","0.004","86.511","0.003","87.074","0.003","3152","0.6","173.1","","173.1","","","","","","","","","6","P -1","-P 1","2","","","","- C52 H100 Cl4 Mo2 N4 P4 -","- C52 H100 Cl4 Mo2 N4 P4 -","- C104 H200 Cl8 Mo4 N8 P8 -","2","1","","Kazuya Arashiba; Shogo Kuriyama; Kazunari Nakajima; Yoshiaki Nishibayashi","Preparation and reactivity of a dinitrogen-bridged dimolybdenum-tetrachloride complex","Chem.Commun.","2013","49","","11215","","10.1039/c3cc46946h","","","0.71075","MoKα","","","0.0478","","","","0.121","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110054","10.4965","0.0006","11.6262","0.0007","14.6325","0.0009","90","","90","","90","","1785.67","0.18","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O6 -","- C19 H18 N2 O6 -","- C76 H72 N8 O24 -","4","1","","Hitomi Yamada; Masaatsu Adachi; Toshio Nishikawa","Stereocontrolled synthesis of the oxathiabicyclo[3.3.1]nonane core structure of tagetitoxin","Chem.Commun.","2013","49","","11221","","10.1039/c3cc46949b","","","0.71073","MoKα","","0.0317","0.0299","","","0.071","0.072","","","","","","1.04","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110055","11.1442","0.0019","5.9143","0.001","13.609","0.002","90","","94.567","0.004","90","","894.1","0.3","298","1","298","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Juan Mancebo-Aracil; Carmen Najera; Jose M. Sansano","Multicomponent synthesis of unnatural pyrrolizidines using 1,3-dipolar cycloaddition of proline esters","Chem.Commun.","2013","49","","11218","","10.1039/c3cc47184e","","","0.71073","MoKα","","0.1096","0.0532","","","0.1161","0.1415","","","","","","1.002","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110056","10.2542","0.0017","24.002","0.004","14.842","0.002","90","","104.39","0.005","90","","3538.3","1","297","1","297","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C152 H184 N8 O32 -","8","2","","Juan Mancebo-Aracil; Carmen Najera; Jose M. Sansano","Multicomponent synthesis of unnatural pyrrolizidines using 1,3-dipolar cycloaddition of proline esters","Chem.Commun.","2013","49","","11218","","10.1039/c3cc47184e","","","0.71073","MoKα","","0.2355","0.0691","","","0.1245","0.18","","","","","","0.923","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110057","28.265","0.005","13.127","0.005","8.729","0.005","90","0.005","106.779","0.005","90","0.005","3101","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Cu2 N2 O8 -","- C23 H26 Cu2 N2 O8 -","- C92 H104 Cu8 N8 O32 -","4","0.5","","Jose M. Seco; David Fairen-Jimenez; Antonio J. Calahorro; Laura Mendez-Linan; Manuel Perez-Mendoza; Nicola Casati; Enrique Colacio; Antonio Rodriguez-Dieguez","Modular structure of a robust microporous MOF based on Cu2 paddle-wheels with high CO2 selectivity","Chem.Commun.","2013","49","","11329","","10.1039/c3cc44193h","","","0.71069","MoKα","","0.1001","0.0653","","","0.1443","0.1556","","","","","","1.048","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110058","27.449","0.018","13.1546","0.0014","8.4882","0.0011","90","","104.58","0.03","90","","2966","2","293","2","293","2","","","1100000","100000","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Cu2 N2 O8 -","- C23 H26 Cu2 N2 O8 -","- C92 H104 Cu8 N8 O32 -","4","0.5","","Jose M. Seco; David Fairen-Jimenez; Antonio J. Calahorro; Laura Mendez-Linan; Manuel Perez-Mendoza; Nicola Casati; Enrique Colacio; Antonio Rodriguez-Dieguez","Modular structure of a robust microporous MOF based on Cu2 paddle-wheels with high CO2 selectivity","Chem.Commun.","2013","49","","11329","","10.1039/c3cc44193h","","","0.30969","synchrotron","","0.1045","0.0797","","","0.2255","0.2425","","","","","","1.118","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110059","26.834","0.018","12.9913","0.0014","8.4037","0.001","90","","103.52","0.03","90","","2848","2","293","2","293","2","","","2000000","100000","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Cu2 N2 O8 -","- C23 H26 Cu2 N2 O8 -","- C92 H104 Cu8 N8 O32 -","4","0.5","","Jose M. Seco; David Fairen-Jimenez; Antonio J. Calahorro; Laura Mendez-Linan; Manuel Perez-Mendoza; Nicola Casati; Enrique Colacio; Antonio Rodriguez-Dieguez","Modular structure of a robust microporous MOF based on Cu2 paddle-wheels with high CO2 selectivity","Chem.Commun.","2013","49","","11329","","10.1039/c3cc44193h","","","0.30969","synchrotron","","0.1161","0.0947","","","0.2638","0.2787","","","","","","1.141","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110060","26.161","0.015","12.7057","0.0012","8.2557","0.001","90","","102.02","0.03","90","","2684","1.6","293","2","293","2","","","3600000","100000","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Cu2 N2 O8 -","- C23 H26 Cu2 N2 O8 -","- C92 H104 Cu8 N8 O32 -","4","0.5","","Jose M. Seco; David Fairen-Jimenez; Antonio J. Calahorro; Laura Mendez-Linan; Manuel Perez-Mendoza; Nicola Casati; Enrique Colacio; Antonio Rodriguez-Dieguez","Modular structure of a robust microporous MOF based on Cu2 paddle-wheels with high CO2 selectivity","Chem.Commun.","2013","49","","11329","","10.1039/c3cc44193h","","","0.30969","synchrotron","","0.1197","0.1027","","","0.2909","0.3099","","","","","","1.146","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110061","25.74","0.03","12.614","0.0019","8.2015","0.0019","90","","101.42","0.06","90","","2610","3","293","2","293","2","","","4500000","100000","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H26 Cu2 N2 O8 -","- C23 H26 Cu2 N2 O8 -","- C92 H104 Cu8 N8 O32 -","4","0.5","","Jose M. Seco; David Fairen-Jimenez; Antonio J. Calahorro; Laura Mendez-Linan; Manuel Perez-Mendoza; Nicola Casati; Enrique Colacio; Antonio Rodriguez-Dieguez","Modular structure of a robust microporous MOF based on Cu2 paddle-wheels with high CO2 selectivity","Chem.Commun.","2013","49","","11329","","10.1039/c3cc44193h","","","0.30969","synchrotron","","0.1366","0.1074","","","0.2834","0.3013","","","","","","1.145","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110062","7.509","0.007","9.895","0.006","13.071","0.006","80.4","0.04","77.72","0.05","82.79","0.05","931.6","1.1","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H21 F N2 O3 -","- C21 H21 F N2 O3 -","- C42 H42 F2 N4 O6 -","2","2","","Yulong Zhang; Xiaohua Liu; Xiaohu Zhao; Jianlin Zhang; Lin Zhou; Lili Lin; Xiaoming Feng","Enantioselective Friedel-Crafts alkylation for synthesis of 2-substituted indole derivatives","Chem.Commun.","2013","49","","11311","","10.1039/c3cc45665j","","","1.54186","CuKα","","0.1042","0.0901","","","0.1885","0.1976","","","","","","1.111","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110063","9.775","0.0001","18.958","0.0002","11.469","0.0001","90","","111.354","0.001","90","","1979.46","0.04","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N2 O7 Zn1.5 -","- C18 H19 N2 O7 Zn1.5 -","- C72 H76 N8 O28 Zn6 -","4","1","","Andrew D. Burrows; Monika Jurcic; Luke L. Keenan; Rebecca A. Lane; Mary F. Mahon; Mark R. Warren; Harriott Nowell; Michael Paradowski; John Spencer","Incorporation by coordination and release of the iron chelator drug deferiprone from zinc-based metal-organic frameworks","Chem.Commun.","2013","49","","11260","","10.1039/c3cc45689g","","","0.71073","MoKα","","0.0288","0.0248","","","0.0593","0.0618","","","","","","1.054","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110064","8.127","0.003","9.909","0.003","11.353","0.004","107.182","0.002","90.439","0.004","113.787","0.003","790.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N2 O14 Zn3 -","- C30 H28 N2 O14 Zn3 -","- C30 H28 N2 O14 Zn3 -","1","0.5","","Andrew D. Burrows; Monika Jurcic; Luke L. Keenan; Rebecca A. Lane; Mary F. Mahon; Mark R. Warren; Harriott Nowell; Michael Paradowski; John Spencer","Incorporation by coordination and release of the iron chelator drug deferiprone from zinc-based metal-organic frameworks","Chem.Commun.","2013","49","","11260","","10.1039/c3cc45689g","","","0.6889","Synchrotron'","","0.0401","0.0348","","","0.0986","0.101","","","","","","1.013","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110065","11.2503","0.0001","11.2503","0.0001","59.786","0.0011","90","","90","","120","","6553.27","0.15","150","2","150","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C36 H42 N4 O20 Zn3 -","- C36 H37.5 N4 O20 Zn3 -","- C216 H225 N24 O120 Zn18 -","6","0.5","","Andrew D. Burrows; Monika Jurcic; Luke L. Keenan; Rebecca A. Lane; Mary F. Mahon; Mark R. Warren; Harriott Nowell; Michael Paradowski; John Spencer","Incorporation by coordination and release of the iron chelator drug deferiprone from zinc-based metal-organic frameworks","Chem.Commun.","2013","49","","11260","","10.1039/c3cc45689g","","","0.6889","Synchrotron","","0.0381","0.0345","","","0.0741","0.0758","","","","","","1.006","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110066","9.735","0.0001","18.876","0.0003","11.594","0.0002","90","","108.518","0.001","90","","2020.18","0.05","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 N5 O11 Zn3 -","- C30 H24 N4 O12 Zn3 -","- C60 H48 N8 O24 Zn6 -","2","0.5","","Andrew D. Burrows; Monika Jurcic; Luke L. Keenan; Rebecca A. Lane; Mary F. Mahon; Mark R. Warren; Harriott Nowell; Michael Paradowski; John Spencer","Incorporation by coordination and release of the iron chelator drug deferiprone from zinc-based metal-organic frameworks","Chem.Commun.","2013","49","","11260","","10.1039/c3cc45689g","","","0.71073","MoKα","","0.0479","0.0355","","","0.1094","0.1149","","","","","","1.088","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110067","8.8523","0.0005","24.856","0.0015","7.1018","0.0004","90","","107.488","0.001","90","","1490.4","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br Mn N3 O3 -","- C14 H9 Br Mn N3 O3 -","- C56 H36 Br4 Mn4 N12 O12 -","4","1","","Samantha J. Carrington; Indranil Chakraborty; Pradip K. Mascharak","Rapid CO release from a Mn(I) carbonyl complex derived from azopyridine upon exposure to visible light and its phototoxicity toward malignant cells","Chem.Commun.","2013","49","","11254","","10.1039/c3cc46558f","","","0.71073","MoKα","","0.0247","0.0215","","","0.0551","0.0566","","","","","","1.047","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110068","11.09","0.004","12.173","0.004","22.935","0.008","90","","90.67","0.009","90","","3096","1.9","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cl Mn N3 O7 P -","- C32 H24 Cl Mn N3 O7 P -","- C128 H96 Cl4 Mn4 N12 O28 P4 -","4","1","","Samantha J. Carrington; Indranil Chakraborty; Pradip K. Mascharak","Rapid CO release from a Mn(I) carbonyl complex derived from azopyridine upon exposure to visible light and its phototoxicity toward malignant cells","Chem.Commun.","2013","49","","11254","","10.1039/c3cc46558f","","","0.71073","MoKα","","0.1963","0.097","","","0.2281","0.3401","","","","","","0.984","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110069","11.7211","0.0006","13.4503","0.0008","21.2922","0.0012","104.093","0.001","96.295","0.001","110.167","0.001","2986.2","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H90 Cl16 Fe2 N14 O22 S4 -","- C108 H90 Cl16 Fe2 N14 O22 S4 -","- C108 H90 Cl16 Fe2 N14 O22 S4 -","1","0.5","","Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Michaele J. Hardie; Christopher Slater","Self-assembly of a heteroleptic one-dimensional chain comprising different dinuclear meso-helicates in the solid-state","Chem.Commun.","2013","49","","11290","","10.1039/c3cc46722h","","","0.71073","MoKα","","0.1243","0.0596","","","0.1324","0.1594","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7110070","13.8209","0.0007","18.3351","0.0009","21.5994","0.001","95.008","0.001","92.173","0.001","107.485","0.001","5188.8","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C94.86 H75.57 Cd2 Cl13 F0 N14.86 O22.71 S4 -","- C94.857 H75.571 Cd2 Cl13 N14.857 O22.714 S4 -","- C189.714 H151.142 Cd4 Cl26 N29.714 O45.428 S8 -","2","1","","Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Michaele J. Hardie; Christopher Slater","Self-assembly of a heteroleptic one-dimensional chain comprising different dinuclear meso-helicates in the solid-state","Chem.Commun.","2013","49","","11290","","10.1039/c3cc46722h","","","0.71073","MoKα","","0.107","0.0588","","","0.1514","0.1784","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7110071","13.3018","0.0003","20.7598","0.0004","44.2313","0.0009","90","","91.264","0.001","90","","12211.2","0.4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C98 H92 Cd2 Cl10 N13 O30 S4 -","- C98 H78 Cd2 Cl10 N13 O30 S4 -","- C392 H312 Cd8 Cl40 N52 O120 S16 -","4","1","","Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Michaele J. Hardie; Christopher Slater","Self-assembly of a heteroleptic one-dimensional chain comprising different dinuclear meso-helicates in the solid-state","Chem.Commun.","2013","49","","11290","","10.1039/c3cc46722h","","","0.71073","MoKα","","0.1708","0.1218","","","0.3489","0.4018","","","","","","1.516","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110072","7.5396","0.0003","33.112","0.0009","7.9405","0.0006","90","","91.215","0.006","90","","1981.91","0.18","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I O9 S -","- C18 H17 I O9 S -","- C72 H68 I4 O36 S4 -","4","1","","Mekhman S. Yusubov; Dmitrii Yu. Svitich; Akira Yoshimura; Victor N. Nemykin; Viktor V. Zhdankin","2-Iodoxybenzoic acid organosulfonates: preparation, X-ray structure and reactivity of new, powerful hypervalent iodine(V) oxidants","Chem.Commun.","2013","49","","11269","","10.1039/c3cc47090c","","","0.71075","MoKα","","0.0419","0.0281","","0.0596","0.0549","0.0596","","","","","","0.9685","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110073","9.3415","0.0005","9.3415","0.0005","6.9955","0.0008","90","","90","","120","","528.67","0.07","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-1","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.043","0.0394","","","0.1028","0.1053","","","","","","1.032","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110074","9.3421","0.0014","9.3421","0.0014","6.996","0.002","90","","90","","120","","528.77","0.19","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-2","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.0386","0.034","","","0.0904","0.0942","","","","","","1.019","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110075","9.3411","0.0013","9.3411","0.0013","6.9932","0.0019","90","","90","","120","","528.45","0.18","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-3","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.0314","0.0297","","","0.0805","0.0819","","","","","","1.061","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110076","9.3392","0.0003","9.3392","0.0003","6.9942","0.0004","90","","90","","120","","528.31","0.04","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-4","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.0271","0.0262","","","0.0728","0.0735","","","","","","1.098","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110077","9.362","0.003","9.362","0.003","7.004","0.005","90","","90","","120","","531.6","0.4","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-5","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.0372","0.0327","","","0.0883","0.0922","","","","","","1.082","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110078","9.3425","0.0002","9.3425","0.0002","6.994","0.0003","90","","90","","120","","528.67","0.03","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-6","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.0282","0.0271","","","0.0755","0.0761","","","","","","1.097","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110079","9.3376","0.0004","9.3376","0.0004","6.991","0.0007","90","","90","","120","","527.89","0.06","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-7","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.033","0.0303","","","0.0815","0.0834","","","","","","1.081","","","","has coordinates","287938","2023-12-01","16:11:17",""
"7110080","9.3429","0.0004","9.3429","0.0004","6.9927","0.0006","90","","90","","120","","528.61","0.06","296","2","296","2","","","","","","","","7","P 31 2 1","P 31 2""","152","AlPO-JU89-8","","","- C4 H22 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","- C4.02 H6 Al6 F6 N3 O18 P3 -","1","0.166667","","Xiaoqiang Tong; Wenfu Yan; Jihong Yu; Ruren Xu","A chiral open-framework fluoroaluminophosphate with enantiomeric excess in the bulk product","Chem.Commun.","2013","49","","11287","","10.1039/c3cc47241h","","","0.71073","MoKα","","0.0342","0.0317","","","0.0881","0.0902","","","","","","1.055","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110081","16.0621","0.0004","20.7199","0.0005","21.2873","0.0005","62.257","0.002","83.386","0.002","82.529","0.002","6204.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H115 N14 O18 Zn3 -","- C114 H110 N14 O18 Zn3 -","- C228 H220 N28 O36 Zn6 -","2","1","","Yan-Ping He; Yan-Xi Tan; Jian Zhang","Tuning a layer to a pillared-layer metal-organic framework for adsorption and separation of light hydrocarbons","Chem.Commun.","2013","49","","11323","","10.1039/c3cc47286h","","","1.54178","CuKα","","0.063","0.0507","","","0.1431","0.1535","","","","","","1.095","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110082","21.9124","0.0002","36.701","0.0003","38.7102","0.0004","90","","100.599","0.001","90","","30599.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C97 H67 N6 O13 Zn3 -","- C97 H67 N6 O13 Zn3 -","- C776 H536 N48 O104 Zn24 -","8","1","","Yan-Ping He; Yan-Xi Tan; Jian Zhang","Tuning a layer to a pillared-layer metal-organic framework for adsorption and separation of light hydrocarbons","Chem.Commun.","2013","49","","11323","","10.1039/c3cc47286h","","","0.71073","MoKα","","0.091","0.0835","","","0.2478","0.2567","","","","","","1.102","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110083","14.2981","0.0007","14.3361","0.0005","14.7145","0.0009","81.191","0.004","71.31","0.005","68.434","0.004","2655","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- Al13 H75 O66 S3 -","- Al13 H75 O66 S3 -","- Al26 H150 O132 S6 -","2","1","","Scott E. Smart; John Vaughn; Iraklis Pappas; Long Pan","Controlled step-wise isomerization of the Keggin-type Al13 and determination of the gamma-Al13 structure","Chem.Commun.","2013","49","","11352","","10.1039/c3cc44844d","","","1.54184","CuKα","","0.0317","0.0305","","","0.0794","0.0803","","","","","","1.005","","","","has coordinates,has disorder","180214","2020-10-21","18:00:00",""
"7110084","16.0521","0.0004","16.1874","0.0004","38.9167","0.001","90","","90","","90","","10112.2","0.4","140","","140","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C102 H119 N7 O6 -","- C102 H119 N7 O6 -","- C408 H476 N28 O24 -","4","1","","Min Jun Kim; Ye Rin Choi; Hae-Geun Jeon; Philjae Kang; Moon-Gun Choi; Kyu-Sung Jeong","A helically twisted imine macrocycle that allows for determining the absolute configuration of appha-amino carboxylates","Chem.Commun.","2013","49","","11412","","10.1039/c3cc46754f","","","1.54178","CuKα","","0.0978","0.0674","","","0.179","0.1956","","","","","","1.075","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110085","12.8063","0.0003","22.7406","0.0006","29.1298","0.0007","90","","90","","90","","8483.3","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C70 H92 Co N14 O34 P -","- C70 H92 Co N14 O34 P -","- C280 H368 Co4 N56 O136 P4 -","4","1","","Mikolaj Chrominski; Agnieszka Lewalska; Dorota Gryko","Reduction-free synthesis of stable acetylide cobalamins","Chem.Commun.","2013","49","","11406","","10.1039/c3cc47210h","","","1.54178","CuKα","","0.0543","0.0522","","","0.1442","0.1462","","","","","","1.058","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110086","15.8339","0.0004","21.8117","0.0006","25.9778","0.0007","90","","90","","90","","8971.8","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C77 H103 Co N13 O25 P -","- C76.871 H102.742 Co N13 O24.585 P -","- C307.484 H410.968 Co4 N52 O98.34 P4 -","4","1","","Mikolaj Chrominski; Agnieszka Lewalska; Dorota Gryko","Reduction-free synthesis of stable acetylide cobalamins","Chem.Commun.","2013","49","","11406","","10.1039/c3cc47210h","","","1.54178","CuKα","","0.0633","0.0583","","","0.167","0.1704","","","","","","1.02","","","","has coordinates,has disorder","180214","2020-10-21","18:00:00",""
"7110087","15.8504","0.0003","21.6765","0.0004","26.2587","0.0005","90","","90","","90","","9022","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C79 H131 Co N13 O27 P -","- C79 H109 Co N13 O27 P -","- C316 H436 Co4 N52 O108 P4 -","4","1","","Mikolaj Chrominski; Agnieszka Lewalska; Dorota Gryko","Reduction-free synthesis of stable acetylide cobalamins","Chem.Commun.","2013","49","","11406","","10.1039/c3cc47210h","","","1.54178","CuKα","","0.0477","0.0422","","","0.1064","0.1088","","","","","","1.017","","","","has coordinates,has disorder","180214","2020-10-21","18:00:00",""
"7110088","13.6542","0.0019","13.6542","0.0019","42.16","0.008","90","","90","","90","","7860","2","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C15.5 H24.5 Cu4 N3.5 O19.5 S3 -","- C14 H14 Cu4 N3 O16 S3 -","- C112 H112 Cu32 N24 O128 S24 -","8","1","","Jiahuan Luo; Jing Wang; Guanghua Li; Qisheng Huo; Yunling Liu","Assembly of a unique octa-nuclear copper cluster-based metal-organic framework with highly selective CO2 adsorption over N2 and CH4","Chem.Commun.","2013","49","","11433","","10.1039/c3cc47462c","","","0.71073","MoKα","","0.0384","0.0349","","","0.0931","0.0943","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110089","10.28","0.004","7.879","0.003","11.691","0.005","90","","96.844","0.01","90","","940.2","0.7","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","R. Alan Aitken; Kati M. Aitken; Philip G. Carruthers; Marc-Alexandre Jean; Alexandra M. Z. Slawin","1,4-Oxazine","Chem.Commun.","2013","49","","11367","","10.1039/c3cc47801g","","","0.71075","MoKα","","","0.0519","","","","0.1483","","","","","","1.03","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110090","31.498","0.004","31.498","0.004","81.077","0.012","90","","90","","120","","69662","16","100","2","100.02","","","","","","","","","6","R -3","-R 3","148","","","","- C258 H414 B240 Cu24 N6 O120 -","- C258 H414 B240 Cu24 N6 O120 -","- C774 H1242 B720 Cu72 N18 O360 -","3","","","Daniel J. Clingerman; Robert D. Kennedy; Joseph E. Mondloch; Amy A. Sarjeant; Joseph T. Hupp; Omar K. Farha; Chad A. Mirkin","An exceptionally high boron content supramolecular cuboctahedron","Chem.Commun.","2013","49","","11485","","10.1039/c3cc44173c","","","1.54178","CuKα","","0.1088","0.087","","","0.2878","0.3009","","","","","","1.119","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110091","10.175","0.0002","23.605","0.0006","24.7146","0.0006","90","","90","","90","","5936","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dimethyl 2-({1RS,2SR,3SR)-3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-[2-methoxy- 1-(methoxycarbonyl)-2-oxoethyl]-2,3-dihydro-1H-inden-1-yl}methyl)malonate","","- C30 H36 O12 -","- C30 H36 O12 -","- C240 H288 O96 -","8","2","","Olga A. Ivanova; Ekaterina M. Budynina; Dmitriy A. Skvortsov; Michelle Limoge; Andrei V. Bakin; Alexey O. Chagarovskiy; Igor V. Trushkov; Mikhail Ya. Melnikov","A bioinspired route to indanes and cyclopentannulated hetarenes via (3+2)-cyclodimerization of donor-acceptor cyclopropanes","Chem.Commun.","2013","49","","11482","","10.1039/c3cc44475a","","","1.5418","CuKα","","0.1152","0.0431","","","0.041","0.0531","","","","","","0.668","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110092","18.163","0.004","7.2623","0.0015","13.383","0.003","90","","110.81","0.03","90","","1650.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl N3 O3 S -","- C16 H14 Cl N3 O3 S -","- C64 H56 Cl4 N12 O12 S4 -","4","1","","Chang-Cang Huang; Jian-Jun Liu; Yong Chen; Mei-Jin Lin","An electron-deficient metallocavitand with an unusual selectivity towards substituted benzene derivatives during co-crystallizations","Chem.Commun.","2013","49","","11512","","10.1039/c3cc46022c","","","0.71073","MoKα","","0.0664","0.0576","","","0.1197","0.1243","","","","","","1.19","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110093","18.823","0.004","19.042","0.004","31.313","0.006","96.46","0.03","102.02","0.03","90.42","0.03","10902","4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C188 H231 Cl8 N39 O39 S8 Zn8 -","- C128 H96 Cl8 N24 O24 S8 Zn8 -","- C256 H192 Cl16 N48 O48 S16 Zn16 -","2","1","","Chang-Cang Huang; Jian-Jun Liu; Yong Chen; Mei-Jin Lin","An electron-deficient metallocavitand with an unusual selectivity towards substituted benzene derivatives during co-crystallizations","Chem.Commun.","2013","49","","11512","","10.1039/c3cc46022c","","","0.71073","MoKα","","0.1192","0.0803","","","0.2066","0.2294","","","","","","1.009","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110094","19.493","0.004","30.951","0.006","18.295","0.004","90","","90","","90","","11038","4","113","2","113","2","","","","","","","","8","P b a n :2","-P 2ab 2b","50","","","","- C191 H236 Br Cl8 N39 O39 S8 Zn8 -","- C134 H96 Br Cl8 N24 O24 S8 Zn8 -","- C268 H192 Br2 Cl16 N48 O48 S16 Zn16 -","2","0.25","","Chang-Cang Huang; Jian-Jun Liu; Yong Chen; Mei-Jin Lin","An electron-deficient metallocavitand with an unusual selectivity towards substituted benzene derivatives during co-crystallizations","Chem.Commun.","2013","49","","11512","","10.1039/c3cc46022c","","","0.71073","MoKα","","0.1341","0.1085","","","0.2601","0.2772","","","","","","1.133","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110095","19.433","0.004","31.567","0.006","18.475","0.004","90","","90","","90","","11333","4","113","2","113","2","","","","","","","","8","P b a n :2","-P 2ab 2b","50","","","","- C210 H272 Cl8 I N43 O43 S8 Zn8 -","- C134 H96 Cl8 I N24 O24 S8 Zn8 -","- C268 H192 Cl16 I2 N48 O48 S16 Zn16 -","2","0.25","","Chang-Cang Huang; Jian-Jun Liu; Yong Chen; Mei-Jin Lin","An electron-deficient metallocavitand with an unusual selectivity towards substituted benzene derivatives during co-crystallizations","Chem.Commun.","2013","49","","11512","","10.1039/c3cc46022c","","","0.71073","MoKα","","0.1973","0.1538","","","0.3839","0.4154","","","","","","1.23","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110096","19.839","0.004","30.744","0.006","18.652","0.004","90","","90","","90","","11376","4","293","2","293","2","","","","","","","","7","P b a n :2","-P 2ab 2b","50","","","","- C170 H103 Cl8 N34 O33 S8 Zn8 -","- C134 H96 Cl8 N25 O24 S8 Zn8 -","- C268 H192 Cl16 N50 O48 S16 Zn16 -","2","0.25","","Chang-Cang Huang; Jian-Jun Liu; Yong Chen; Mei-Jin Lin","An electron-deficient metallocavitand with an unusual selectivity towards substituted benzene derivatives during co-crystallizations","Chem.Commun.","2013","49","","11512","","10.1039/c3cc46022c","","","0.71073","MoKα","","0.1109","0.0688","","","0.2089","0.2332","","","","","","0.995","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110097","19.631","0.004","30.961","0.006","18.383","0.004","90","","90","","90","","11173","4","113","2","113","2","","","","","","","","7","P b a n :2","-P 2ab 2b","50","","","","- C186 H218 Cl9 N37 O37 S8 Zn8 -","- C134 H96 Cl9 N24 O24 S8 Zn8 -","- C268 H192 Cl18 N48 O48 S16 Zn16 -","2","0.25","","Chang-Cang Huang; Jian-Jun Liu; Yong Chen; Mei-Jin Lin","An electron-deficient metallocavitand with an unusual selectivity towards substituted benzene derivatives during co-crystallizations","Chem.Commun.","2013","49","","11512","","10.1039/c3cc46022c","","","0.71073","MoKα","","0.1205","0.1126","","","0.279","0.2846","","","","","","1.177","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110098","18.842","0.004","18.915","0.004","31.455","0.006","88.98","0.03","84.8","0.03","89.6","0.03","11162","4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C192 H214.5 Cl8 N38.5 O41.5 S8 Zn8 -","- C146 H111 Cl8 N27 O30 S8 Zn8 -","- C292 H222 Cl16 N54 O60 S16 Zn16 -","2","1","","Chang-Cang Huang; Jian-Jun Liu; Yong Chen; Mei-Jin Lin","An electron-deficient metallocavitand with an unusual selectivity towards substituted benzene derivatives during co-crystallizations","Chem.Commun.","2013","49","","11512","","10.1039/c3cc46022c","","","0.71073","MoKα","","0.1323","0.1077","","","0.2739","0.2902","","","","","","1.145","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110099","12.1557","0.0007","14.0158","0.0008","15.6731","0.0009","90","","90","","90","","2670.3","0.3","95","2","95","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(η^5^pentamethylcyclopentadienyl)- (methyl 1-butyl-2-phenyl-benzimidazole carboxylate-κC,N)- chlorido-iridium(III)","","- C29 H34 Cl Ir N2 O2 -","- C29 H34 Cl Ir N2 O2 -","- C116 H136 Cl4 Ir4 N8 O8 -","4","1","","Gorakh S. Yellol; Antonio Donaire; Jyoti G. Yellol; Vera Vasylyeva; Christoph Janiak; Jose Ruiz","On the antitumor properties of novel cyclometalated benzimidazole Ru(II), Ir(III) and Rh(III) complexes","Chem.Commun.","2013","49","","11533","","10.1039/c3cc46239k","","","1.54178","CuKα","","0.0323","0.0302","","","0.0653","0.0663","","","","","","1.109","","","","has coordinates","180214","2020-10-21","18:00:00",""
"7110100","25.8365","0.0006","10.665","0.0003","41.6219","0.0009","90","","90","","90","","11468.8","0.5","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C114.27 H156.53 Cl4.53 N8 O10 -","- C114.267 H148.534 Cl4.534 N8 O10 -","- C457.068 H594.136 Cl18.136 N32 O40 -","4","1","","Monika Vogt; Chao Wu; Allen G. Oliver; Christopher J. Meyer; William F. Schneider; Brandon L. Ashfeld","Site specific carboxylation of abnormal anionic N-heterocyclic dicarbenes with CO2","Chem.Commun.","2013","49","","11527","","10.1039/c3cc46555a","","","1.54184","CuKα","","0.0616","0.0569","","","0.1494","0.1546","","","","","","1.035","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110101","8.976","0.0007","25.7636","0.0019","11.828","0.0009","90","","90.323","0.001","90","","2735.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Eu N O12 -","- C25 H32 Eu N O12 -","- C100 H128 Eu4 N4 O48 -","4","1","","Zhen Chen; Yanwen Sun; Liangliang Zhang; Di Sun; Fuling Liu; Qingguo Meng; Rongming Wang; Daofeng Sun","A tubular europium-organic framework exhibiting selective sensing of Fe3+ and Al3+ over mixed metal ions","Chem.Commun.","2013","49","","11557","","10.1039/c3cc46613b","","","0.71073","MoKα","","0.0414","0.037","","","0.0966","0.0996","","","","","","1.056","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110102","8.869","0.0001","15.2039","0.0002","21.8583","0.0015","90","","93.444","0.007","90","","2942.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","2","","Laurent Chabaud; Tatiana Hromjakova; Matt Rambla; Pascal Retailleau; Catherine Guillou","Hypervalent iodine-mediated oxidative cyclisation of p-hydroxy acetanilides to 1,2-dispirodienones","Chem.Commun.","2013","49","","11542","","10.1039/c3cc47171c","","","1.54187","CuKα","","0.0957","0.0524","","","0.1293","0.192","","","","","","1.151","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110103","27.546","0.011","33.029","0.013","6.766","0.003","90","","90","","90","","6156","4","100","","100","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H10 O2 S2 -","- C20 H10 O2 S2 -","- C320 H160 O32 S32 -","16","1","","Hiroko Yamada; Yuji Yamaguchi; Ryuta Katoh; Takao Motoyama; Tatsuya Aotake; Daiki Kuzuhara; Mitsuharu Suzuki; Tetsuo Okujima; Hidemitsu Uno; Naoki Aratani; Ken-ichi Nakayama","Solution-processed anthradithiophene-PCBM p-n junction photovoltaic cells fabricated by using the photoprecursor method","Chem.Commun.","2013","49","","11638","","10.1039/c3cc46178e","","","0.71075","MoKα","","0.0464","0.0448","","","0.1015","0.1028","","","","","","1.086","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110104","10.508","0.006","10.783","0.006","11.982","0.006","84.89","0.008","69.76","0.007","81.743","0.009","1259.5","1.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 B F2 N3 O2 -","- C30 H30 B F2 N3 O2 -","- C60 H60 B2 F4 N6 O4 -","2","1","","Andrei Y. Bochkov; Igor O. Akchurin; Oleg A. Dyachenko; Valery F. Traven","NIR-fluorescent coumarin-fused BODIPY dyes with large Stokes shifts","Chem.Commun.","2013","49","","11653","","10.1039/c3cc46498a","","","0.71073","MoKα","","0.1104","0.0664","","","0.1608","0.1851","","","","","","1.017","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110105","13.4484","0.0002","13.4484","0.0002","13.4484","0.0002","90","","90","","90","","2432.27","0.06","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H6 Er2 O10.5 P3 -","- C3 Er2 O10.5 P3 -","- C24 Er16 O84 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0374","0.0351","","","0.0834","0.0844","","","","","","1.2","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110106","13.5171","0.0002","13.5171","0.0002","13.5171","0.0002","90","","90","","90","","2469.74","0.06","180","2","180","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C H2.33 O6.67 P2 Y1.33 -","- C H2.32 O6.66667 P2 Y1.33333 -","- C12 H27.84 O80 P24 Y16 -","12","0.5","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0555","0.0462","","","0.1214","0.1264","","","","","","1.101","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110107","13.4618","0.0002","13.4618","0.0002","13.4618","0.0002","90","","90","","90","","2439.55","0.06","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H8 Er2 O11.5 P3 -","- C3 Er2 O11.5 P3 -","- C24 Er16 O92 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0298","0.0278","","","0.0677","0.0683","","","","","","1.143","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110108","13.4291","0.0003","13.4291","0.0003","13.4291","0.0003","90","","90","","90","","2421.81","0.09","150","2","150","2","","","","","","","","3","I 21 3","I 2b 2c 3","199","","","","- Er2 O10.5 P3 -","- Er2 O10.5 P3 -","- Er16 O84 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0263","0.0242","","","0.0597","0.0605","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110109","13.4315","0.0001","13.4315","0.0001","13.4315","0.0001","90","","90","","90","","2423.11","0.03","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C1.5 H1.5 Er2 O9 P3 -","- C1.5 H1.5 Er2 O9 P3 -","- C12 H12 Er16 O72 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0257","0.0252","","","0.0777","0.0779","","","","","","1.215","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110110","13.4154","0.0002","13.4154","0.0002","13.4154","0.0002","90","","90","","90","","2414.41","0.06","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C H3 Er2 O11.5 P3 -","- C0.99 H2.97 Er2 O11.5 P3 -","- C7.92 H23.76 Er16 O92 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0828","0.0402","","","0.0838","0.1034","","","","","","1.143","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110111","13.5416","0.0002","13.5416","0.0002","13.5416","0.0002","90","","90","","90","","2483.19","0.06","100","2","100","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H8 Dy2 O11.5 P3 -","- C3 Dy2 O11.5 P3 -","- C24 Dy16 O92 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0298","0.0273","","","0.064","0.0649","","","","","","1.112","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110112","13.6178","0.0001","13.6178","0.0001","13.6178","0.0001","90","","90","","90","","2525.35","0.03","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H8 O11.5 P3 Tb2 -","- C3 O11.5 P3 Tb2 -","- C24 O92 P24 Tb16 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0319","0.0244","","","0.0531","0.0555","","","","","","1.128","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110113","13.4853","0.0002","13.4853","0.0002","13.4853","0.0002","90","","90","","90","","2452.35","0.06","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H8 O11.5 P3 Y2 -","- C3 O11.5 P3 Y2 -","- C24 O92 P24 Y16 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0306","0.0264","","","0.062","0.0628","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110114","13.52","0.0001","13.52","0.0001","13.52","0.0001","90","","90","","90","","2471.33","0.03","150","2","150","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H8 Er2 O11.5 P3 -","- C3 Er2 O11.5 P3 -","- C24 Er16 O92 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.0349","0.0318","","","0.0808","0.0821","","","","","","1.159","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110115","13.3727","0.0004","13.3727","0.0004","13.3727","0.0004","90","","90","","90","","2391.43","0.12","180","2","180","2","","","","","","","","4","I 21 3","I 2b 2c 3","199","","","","- H2 O11.5 P3 Y2 -","- O11.5 P3 Y2 -","- O92 P24 Y16 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.1021","0.0792","","","0.1941","0.2129","","","","","","1.119","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7110116","13.533","0.0004","13.533","0.0004","13.533","0.0004","90","","90","","90","","2478.46","0.13","296","2","296","2","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C3 H8 Ho2 O11.5 P3 -","- C3 Ho2 O10.83 P3 -","- C24 Ho16 O86.64 P24 -","8","0.333333","","Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha","Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates","Chem.Commun.","2013","49","","11668","","10.1039/c3cc46503a","","","0.71073","MoKα","","0.073","0.0513","","","0.1022","0.1148","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110117","13.631","0.003","14.137","0.003","14.402","0.003","98.858","0.005","95.1","0.005","105.071","0.005","2623.6","1","147","2","147","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H69 Co N4 O8 S -","- C55 H69 Co N4 O8 S -","- C110 H138 Co2 N8 O16 S2 -","2","1","","Min-Seob Seo; Kiseong Kim; Hyunwoo Kim","Controlling helical chirality of cobalt complexes by chirality transfer from vicinal diamines","Chem.Commun.","2013","49","","11623","","10.1039/c3cc46887a","","","0.71073","MoKα","","0.1071","0.057","","","0.1228","0.143","","","","","","1.016","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110118","12.315","0.003","15.077","0.004","17.593","0.004","111.316","0.009","97.865","0.008","109.661","0.009","2737.8","1.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H22 Cl2 Dy F18 N2 O12 S10 -","- C33 H22 Cl2 Dy F18 N2 O12 S10 -","- C66 H44 Cl4 Dy2 F36 N4 O24 S20 -","2","1","","Fabrice Pointillart; Boris Le Guennic; Stephane Golhen; Olivier Cador; Lahcene Ouahab","Slow magnetic relaxation in radical cation tetrathiafulvalene-based lanthanide(III) dinuclear complexes","Chem.Commun.","2013","49","","11632","","10.1039/c3cc47087c","","","0.71073","MoKα","","0.1124","0.0716","","","0.1897","0.2374","","","","","","1.029","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110119","12.241","0.0003","14.682","0.0004","17.412","0.0004","104.065","0.001","106.13","0.001","109.73","0.001","2626.04","0.12","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H22 Cl2 F18 N2 O12 S10 Yb -","- C33 H22 Cl2 F18 N2 O12 S10 Yb -","- C66 H44 Cl4 F36 N4 O24 S20 Yb2 -","2","1","","Fabrice Pointillart; Boris Le Guennic; Stephane Golhen; Olivier Cador; Lahcene Ouahab","Slow magnetic relaxation in radical cation tetrathiafulvalene-based lanthanide(III) dinuclear complexes","Chem.Commun.","2013","49","","11632","","10.1039/c3cc47087c","","","0.71073","MoKα","","0.1066","0.0765","","","0.2073","0.2446","","","","","","1.073","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110120","13.9108","0.0008","25.429","0.002","8.8131","0.0005","90","","90","","90","","3117.5","0.4","100","1","100","","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C21 H16 N2 O -","- C21 H16 N2 O -","- C168 H128 N16 O8 -","8","1","","Shyamaprosad Goswami; Abhishek Manna; Sima Paul; Ching Kheng Quah; Hoong-Kun Fun","Rapid and ratiometric detection of hypochlorite with real application in tap water: molecules to low cost devices (TLC sticks)","Chem.Commun.","2013","49","","11656","","10.1039/c3cc47121g","","","0.71073","MoKα","","0.0357","0.0331","","","0.0891","0.092","","","","","","1.035","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110121","8.2054","0.0001","10.574","0.0001","8.6556","0.0001","90","","95.96","0.001","90","","746.934","0.014","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C32 H34 N2 O12 -","2","1","","Renate Rohlmann; Constantin-Gabriel Daniliuc; Olga Garcia Mancheno","Highly enantioselective synthesis of chiral 7-ring O- and N-heterocycles by a one-pot nitro-Michael-cyclization tandem reaction","Chem.Commun.","2013","49","","11665","","10.1039/c3cc47397j","","","1.54178","CuKα","","0.0305","0.0304","","","0.0785","0.0786","","","","","","1.067","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110122","10.335","0.003","14.576","0.004","20.959","0.006","95.297","0.013","99.709","0.011","95.859","0.012","3076.5","1.5","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C54 H84 In2 N4 O2 Si4 -","- C54 H84 In2 N4 O2 Si4 -","- C108 H168 In4 N8 O4 Si8 -","2","1","","T. Roisnel; J.-F. Carpentier; E. Kirillov","Dinuclear vs. mononuclear complexes: accelerated, metal-dependent ring-opening polymerization of lactide","Chem.Commun.","2013","49","","11692","","10.1039/c3cc47572g","","x-ray","0.71073","MoKα","","0.0763","0.044","","","0.0894","0.1028","","","","","","1.021","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110123","15.3906","0.0012","41.213","0.003","55.854","0.004","90","","90","","90","","35428","5","150","2","150","2","","","","","","","synthesis as described","5","F 2 d d","F -2d 2","43","","","","- C42 H52 Al2 N4 O2 -","- C42 H52 Al2 N4 O2 -","- C1344 H1664 Al64 N128 O64 -","32","2","","T. Roisnel; J.-F. Carpentier; E. Kirillov","Dinuclear vs. mononuclear complexes: accelerated, metal-dependent ring-opening polymerization of lactide","Chem.Commun.","2013","49","","11692","","10.1039/c3cc47572g","","x-ray","0.71073","MoKα","","0.1326","0.0686","","","0.1463","0.1677","","","","","","0.925","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7110124","37.522","0.003","11.2412","0.001","18.3416","0.0015","90","","114.579","0.002","90","","7035.3","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H45 I N2 O2 S Sn -","- C33 H45 I N2 O2 S Sn -","- C264 H360 I8 N16 O16 S8 Sn8 -","8","1","","Jun Liu; Xin Xie; Yuanhong Liu","Silver-catalyzed cascade cyclization-stannylation of o-alkynylaniline derivatives with 2-tributylstannylfuran: an efficient synthesis of (3-indolyl)stannanes","Chem.Commun.","2013","50","","11794","","10.1039/c3cc46524a","","","0.71073","MoKα","","0.0665","0.0425","","","0.1051","0.1184","","","","","","1.026","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110125","10.7521","0.0008","11.7077","0.0007","12.3439","0.001","90","","92.146","0.007","90","","1552.79","0.19","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H16.8 Cu2 N4 O7.4 -","- C8 H16.8 Cu2 N4 O7.4 -","- C32 H67.2 Cu8 N16 O29.6 -","4","1","","Dong-Dong Zhou; Chun-Ting He; Pei-Qin Liao; Wei Xue; Wei-Xiong Zhang; Hao-Long Zhou; Jie-Peng Zhang; Xiao-Ming Chen","A flexible porous Cu(II) bis-imidazolate framework with ultrahigh concentration of active sites for efficient and recyclable CO2 capture","Chem.Commun.","2013","49","","11728","","10.1039/c3cc46597g","","","1.54178","CuKα","","0.1011","0.0946","","","0.279","0.2837","","","","","","1.046","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110126","16.377","0.003","12.209","0.002","10.2681","0.0018","90","","127.226","0.002","90","","1634.8","0.5","128","2","128","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H16 Cu2 N4 O2 -","- C16 H16 Cu2 N4 O2 -","- C64 H64 Cu8 N16 O8 -","4","0.5","","Dong-Dong Zhou; Chun-Ting He; Pei-Qin Liao; Wei Xue; Wei-Xiong Zhang; Hao-Long Zhou; Jie-Peng Zhang; Xiao-Ming Chen","A flexible porous Cu(II) bis-imidazolate framework with ultrahigh concentration of active sites for efficient and recyclable CO2 capture","Chem.Commun.","2013","49","","11728","","10.1039/c3cc46597g","","","0.71073","MoKα","","0.0552","0.0385","","","0.0929","0.1009","","","","","","1.028","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110127","11.7363","0.0011","6.9251","0.0007","9.3352","0.0011","90","","105.518","0.011","90","","731.06","0.14","123","1","123","1","","","","","","","see text","5","C 1 c 1","C -2yc","9","","","","- C4 H3 Fe O4 P -","- C4 H3 Fe O4 P -","- C16 H12 Fe4 O16 P4 -","4","1","","Cornelia Hunger; Wilfried-Solo Ojo; Susanne Bauer; Shu Xu; Manfred Zabel; Bruno Chaudret; Lise-Marie Lacroix; Manfred Scheer; Celine Nayral; Fabien Delpech","Stoichiometry-controlled FeP nanoparticles synthesized from a single source precursor","Chem.Commun.","2013","49","","11788","","10.1039/c3cc46863a","","x-ray","0.71073","MoKα","","0.0359","0.0284","","","0.0914","0.0931","","","","","","1.101","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110128","13.897","0.008","19.944","0.011","3.7595","0.0019","90","","90","","90","","1042","1","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H9 F O3 -","- C14 H9 F O3 -","- C56 H36 F4 O12 -","4","1","","Tai-Hua Lee; Jayachandran Jayakumar; Chien-Hong Cheng; Shih-Ching Chuang","One pot synthesis of bioactive benzopyranones through palladium-catalyzed C-H activation and CO insertion into 2-arylphenols","Chem.Commun.","2013","49","","11797","","10.1039/c3cc47197g","","","0.71073","MoKα","","0.0591","0.0434","","","0.1243","0.1735","","","","","","1.093","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110129","3.7732","0.0003","20.638","0.0019","13.9764","0.0013","90","","90.389","0.002","90","","1088.34","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cl O3 -","- C14 H9 Cl O3 -","- C56 H36 Cl4 O12 -","4","1","","Tai-Hua Lee; Jayachandran Jayakumar; Chien-Hong Cheng; Shih-Ching Chuang","One pot synthesis of bioactive benzopyranones through palladium-catalyzed C-H activation and CO insertion into 2-arylphenols","Chem.Commun.","2013","49","","11797","","10.1039/c3cc47197g","","","0.71073","MoKα","","0.0718","0.0513","","","0.1925","0.2333","","","","","","1.269","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110130","26.4628","0.0017","11.6059","0.0006","19.5905","0.0012","90","","90","","90","","6016.7","0.6","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H42 Cl O4 Ti -","- C32 H42 Cl O4 Ti -","- C256 H336 Cl8 O32 Ti8 -","8","2","","Takashi Kurogi; Yutaka Ishida; Hiroyuki Kawaguchi","Synthesis of titanium and zirconium complexes supported by a p-terphenoxide ligand and their reactions with N2, CO2 and CS2","Chem.Commun.","2013","49","","11755","","10.1039/c3cc47284a","","","0.71075","MoKα","","0.1137","0.0612","","","0.1158","0.1415","","","","","","1.048","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110131","22.533","0.005","50.714","0.011","11.285","0.002","90","","90","","90","","12896","5","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C76 H84 N6 O4 Ti2 -","- C76 H84 N6 O4 Ti2 -","- C608 H672 N48 O32 Ti16 -","8","0.5","","Takashi Kurogi; Yutaka Ishida; Hiroyuki Kawaguchi","Synthesis of titanium and zirconium complexes supported by a p-terphenoxide ligand and their reactions with N2, CO2 and CS2","Chem.Commun.","2013","49","","11755","","10.1039/c3cc47284a","","","0.71075","MoKα","","0.1091","0.0756","","","0.1432","0.1638","","","","","","1.056","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110132","10.1726","0.0015","21.898","0.003","15.189","0.002","90","","91.409","0.006","90","","3382.5","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 O2 Zr -","- C42 H46 O2 Zr -","- C168 H184 O8 Zr4 -","4","1","","Takashi Kurogi; Yutaka Ishida; Hiroyuki Kawaguchi","Synthesis of titanium and zirconium complexes supported by a p-terphenoxide ligand and their reactions with N2, CO2 and CS2","Chem.Commun.","2013","49","","11755","","10.1039/c3cc47284a","","","0.71075","MoKα","","0.1492","0.0715","","","0.1234","0.159","","","","","","1.056","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110133","15.032","0.002","9.1927","0.0015","22.154","0.004","90","","90.733","0.003","90","","3061.1","0.8","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 O3 Zr -","- C32 H40 Cl2 O3 Zr -","- C128 H160 Cl8 O12 Zr4 -","4","1","","Takashi Kurogi; Yutaka Ishida; Hiroyuki Kawaguchi","Synthesis of titanium and zirconium complexes supported by a p-terphenoxide ligand and their reactions with N2, CO2 and CS2","Chem.Commun.","2013","49","","11755","","10.1039/c3cc47284a","","","0.71075","MoKα","","0.0619","0.0498","","","0.1326","0.146","","","","","","0.99","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110134","24.091","0.006","9.788","0.002","16.906","0.004","90","","96.277","0.005","90","","3962.6","1.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 O6 Zr -","- C44 H64 O6 Zr -","- C176 H256 O24 Zr4 -","4","1","","Takashi Kurogi; Yutaka Ishida; Hiroyuki Kawaguchi","Synthesis of titanium and zirconium complexes supported by a p-terphenoxide ligand and their reactions with N2, CO2 and CS2","Chem.Commun.","2013","49","","11755","","10.1039/c3cc47284a","","","0.71075","MoKα","","0.1252","0.0743","","","0.1476","0.1821","","","","","","1.066","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110135","31.709","0.006","15.741","0.003","25.572","0.005","90","","90","","90","","12764","4","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C144 H184 O10 Zr4 -","- C144 H128 O10 Zr4 -","- C576 H512 O40 Zr16 -","4","0.5","","Takashi Kurogi; Yutaka Ishida; Hiroyuki Kawaguchi","Synthesis of titanium and zirconium complexes supported by a p-terphenoxide ligand and their reactions with N2, CO2 and CS2","Chem.Commun.","2013","49","","11755","","10.1039/c3cc47284a","","","0.71075","MoKα","","0.0999","0.0845","","","0.1914","0.2015","","","","","","1.203","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110136","17.785","0.002","14.4383","0.0019","29.83","0.004","90","","95.8792","0.0019","90","","7619.6","1.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C83 H105 O12.5 Zr2 -","- C81 H88 O12 Zr2 -","- C324 H352 O48 Zr8 -","4","1","","Takashi Kurogi; Yutaka Ishida; Hiroyuki Kawaguchi","Synthesis of titanium and zirconium complexes supported by a p-terphenoxide ligand and their reactions with N2, CO2 and CS2","Chem.Commun.","2013","49","","11755","","10.1039/c3cc47284a","","","0.71075","MoKα","","0.1332","0.0934","","","0.2322","0.2712","","","","","","0.983","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7110137","9.498","0.003","14.156","0.005","16.469","0.005","77.889","0.015","80.28","0.02","80.586","0.014","2115","1.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H112 O6 S4 Zr2 -","- C94 H112 O6 S4 Zr2 -","- C94 H112 O6 S4 Zr2 -","1","0.5","","Takashi Kurogi; Yutaka Ishida; Hiroyuki Kawaguchi","Synthesis of titanium and zirconium complexes supported by a p-terphenoxide ligand and their reactions with N2, CO2 and CS2","Chem.Commun.","2013","49","","11755","","10.1039/c3cc47284a","","","0.71075","MoKα","","0.1155","0.0778","","","0.1647","0.1901","","","","","","1.071","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110138","12.887","0.0002","13.039","0.0002","21.441","0.0003","90","","89.79","","90","","3602.78","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","k08mgd02","","","- C78 H108 Li6 N2 O12 -","- C78 H108 Li6 N2 O12 -","- C156 H216 Li12 N4 O24 -","2","0.5","","David M. Cousins; Matthew G. Davidson; Daniel Garcia-Vivo","Unprecedented participation of a four-coordinate hydrogen atom in the cubane core of lithium and sodium phenolates","Chem.Commun.","2013","49","","11809","","10.1039/c3cc47393g","","","0.71073","MoKα","","0.1097","0.098","","","0.2448","0.2525","","","","","","1.104","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110139","20.007","0.0002","21.336","0.0003","32.661","0.0002","90","","90","","90","","13942","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C70 H100 N2 Na6 O10 -","- C70 H100 N2 Na6 O10 -","- C560 H800 N16 Na48 O80 -","8","1","","David M. Cousins; Matthew G. Davidson; Daniel Garcia-Vivo","Unprecedented participation of a four-coordinate hydrogen atom in the cubane core of lithium and sodium phenolates","Chem.Commun.","2013","49","","11809","","10.1039/c3cc47393g","","","0.71073","MoKα","","0.0791","0.0576","","","0.1528","0.1791","","","","","","1.034","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110140","9.801","0.0002","13.922","0.0003","18.431","0.0003","89.201","0.002","87.934","0.002","70.553","0.001","2369.88","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Compound X","","","- C45 H55 Cl5 Li3 N O7 -","- C45 H55 Cl5 Li3 N O7 -","- C90 H110 Cl10 Li6 N2 O14 -","2","1","","David M. Cousins; Matthew G. Davidson; Daniel Garcia-Vivo","Unprecedented participation of a four-coordinate hydrogen atom in the cubane core of lithium and sodium phenolates","Chem.Commun.","2013","49","","11809","","10.1039/c3cc47393g","","","0.71073","MoKα","","0.0719","0.0488","","","0.1178","0.1329","","","","","","1.036","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110141","12.851","0.0003","20.659","0.0005","21.281","0.0005","107.177","0.001","90.768","0.001","92.202","0.002","5392.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Compound 6","","","- C47 H66 Cl5 N Na3 O7.5 -","- C47 H66 Cl5 N Na3 O7.5 -","- C188 H264 Cl20 N4 Na12 O30 -","4","2","","David M. Cousins; Matthew G. Davidson; Daniel Garcia-Vivo","Unprecedented participation of a four-coordinate hydrogen atom in the cubane core of lithium and sodium phenolates","Chem.Commun.","2013","49","","11809","","10.1039/c3cc47393g","","","0.71073","MoKα","","0.1766","0.1079","","","0.2834","0.3557","","","","","","1.471","","","","has coordinates,has disorder","287753","2023-11-23","09:34:44",""
"7110142","5.9056","0.0005","12.2286","0.0012","26.909","0.003","90","","90","","90","","1943.3","0.3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 O4 Si -","- C19 H30 O4 Si -","- C76 H120 O16 Si4 -","4","1","","Sijia Liu; Jianrong (Steve) Zhou","Desymmetrization of cyclic olefins via asymmetric Heck reaction and hydroarylation","Chem.Commun.","2013","49","","11758","","10.1039/c3cc47551d","","","0.71073","MoKα","","0.1183","0.0791","","","0.1827","0.2096","","","","","","1.14","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7110143","13.0889","0.0011","13.3034","0.0012","19.1219","0.0017","98.293","0.007","95.924","0.007","94.973","0.007","3259.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H33 B3 N4 -","- C38 H33 B3 N4 -","- C152 H132 B12 N16 -","4","2","","Matthias Muller; Cacilia Maichle-Mossmer; Holger F. Bettinger","C-H functionalization of tetramethylsilane employing a borylnitrene","Chem.Commun.","2013","49","","11773","","10.1039/c3cc47753c","","","0.71073","MoKα","","0.0783","0.0606","","","0.1367","0.1457","","","","","","1.097","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110144","7.4739","0.0008","9.911","0.001","11.815","0.0012","90","","102.072","0.002","90","","855.83","0.15","295","1","295","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C18 H21 N O3 S -","- C18 H21 N O3 S -","- C36 H42 N2 O6 S2 -","2","1","","Pandur Venkatesan Balaji; Srinivasan Chandrasekaran","Stereoselective geminal difunctionalization of vinyl arenes mediated by the bromonium ion","Chem.Commun.","2013","50","","70","","10.1039/c3cc46003g","","x-ray","0.71073","MoKα","","0.046","0.0381","","","0.0928","0.0979","","","","","","1.156","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110145","8.413","0.001","14.85","0.002","21.756","0.002","90","","90","","90","","2718","0.5","295","1","295","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Cl3 N O3 S -","- C26 H28 Cl3 N O3 S -","- C104 H112 Cl12 N4 O12 S4 -","4","1","","Pandur Venkatesan Balaji; Srinivasan Chandrasekaran","Stereoselective geminal difunctionalization of vinyl arenes mediated by the bromonium ion","Chem.Commun.","2013","50","","70","","10.1039/c3cc46003g","","x-ray","0.71073","MoKα","","0.1637","0.0768","","","0.1077","0.1387","","","","","","0.975","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110146","6.2365","0.0019","8.196","0.003","20.593","0.007","90","","92.844","0.009","90","","1051.3","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N3 S2 -","- C24 H21 N3 S2 -","- C48 H42 N6 S4 -","2","1","","Joydev Hatai; Subhajit Bandyopadhyay","Altered selectivity of a dipicolylamine based metal ion receptor","Chem.Commun.","2013","50","","64","","10.1039/c3cc46285d","","","0.71073","MoKα","","0.0745","0.0446","","","0.0779","0.0942","","","","","","1.002","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110147","19.8766","0.0005","19.8766","0.0005","16.0127","0.0012","90","","90","","90","","6326.3","0.5","150","2","150","2","","","","","","","","7","I 4","I 4","79","","","","- C82 H152 Cr7 F8 N O32 Zn -","- C82 H152 Cr7.04 F8 N O32 Zn1.04 -","- C164 H304 Cr14.08 F16 N2 O64 Zn2.08 -","2","0.25","","Fabrizio Moro; Danielle Kaminski; Floriana Tuna; George F. S. Whitehead; Grigore A. Timco; David Collison; Richard E. P. Winpenny; Arzhang Ardavan; Eric J. L. McInnes","Coherent electron spin manipulation in a dilute oriented ensemble of molecular nanomagnets: pulsed EPR on doped single crystals","Chem.Commun.","2013","50","","91","","10.1039/c3cc46326e","","","1.54178","CuKα","","0.1539","0.1434","","","0.3702","0.3776","","","","","","1.051","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110148","19.8454","0.0005","19.8454","0.0005","15.8931","0.0006","90","","90","","90","","6259.3","0.3","100","2","100","2","","","","","","","","7","I 4","I 4","79","","","","- C82 H152 F8 Ga7 N O32 Zn -","- C82 H152 F8 Ga7.04 N O32 Zn1.04 -","- C164 H304 F16 Ga14.08 N2 O64 Zn2.08 -","2","0.25","","Fabrizio Moro; Danielle Kaminski; Floriana Tuna; George F. S. Whitehead; Grigore A. Timco; David Collison; Richard E. P. Winpenny; Arzhang Ardavan; Eric J. L. McInnes","Coherent electron spin manipulation in a dilute oriented ensemble of molecular nanomagnets: pulsed EPR on doped single crystals","Chem.Commun.","2013","50","","91","","10.1039/c3cc46326e","","","1.54178","CuKα","","0.1032","0.0995","","","0.2611","0.2638","","","","","","1.155","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110149","8.1053","0.0009","14.1123","0.0016","9.2252","0.0011","90","","97.664","0.002","90","","1045.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N O2 -","- C12 H9 N O2 -","- C48 H36 N4 O8 -","4","1","","Yuan-Liang Yang; Zhen Zhang; Xiao-Nan Zhang; De Wang; Yin Wei; Min Shi","Lewis base-catalyzed reactions of cyclopropenones: novel synthesis of mono- or multi-substituted allenic esters","Chem.Commun.","2013","50","","115","","10.1039/c3cc46470a","","","0.71073","MoKα","","0.0551","0.0475","","","0.1163","0.1225","","","","","","1.02","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110150","11.4798","0.0002","13.277","0.0003","18.2209","0.0004","71.135","0.002","73.672","0.002","73.251","0.002","2461.78","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- Co4 H20 Na10 O108 P2 W18 -","- Co4 Na10 O108 P2 W18 -","- Co4 Na10 O108 P2 W18 -","1","0.5","","Rafael Schiwon; Katharina Klingan; Holger Dau; Christian Limberg","Shining light on integrity of a tetracobalt-polyoxometalate water oxidation catalyst by X-ray spectroscopy before and after catalysis","Chem.Commun.","2013","50","","100","","10.1039/c3cc46629a","","","0.71073","MoKα","","0.0602","0.0477","","","0.1161","0.1211","","","","","","0.998","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110151","29","0.004","29","0.004","5.8505","0.0008","90","","90","","120","","4261.1","1","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","2_36%CO2","","","- C12.05 H10 O2.11 -","- C12.0533 H10 O2.10667 -","- C216.96 H180 O37.92 -","18","1","","Tia Jacobs; Vincent J. Smith; Lynne H. Thomas; Leonard J. Barbour","Carbon dioxide entrapment in an organic molecular host","Chem.Commun.","2013","50","","85","","10.1039/c3cc46784h","","","0.71073","MoKα","","0.103","0.0522","","","0.1072","0.1278","","","","","","1.026","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110152","28.906","0.01","28.906","0.01","5.862","0.002","90","","90","","120","","4242","3","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","2_73%CO2","","","- C12.12 H10 O2.24 -","- C12.1217 H10 O2.24333 -","- C218.19 H180 O40.38 -","18","1","","Tia Jacobs; Vincent J. Smith; Lynne H. Thomas; Leonard J. Barbour","Carbon dioxide entrapment in an organic molecular host","Chem.Commun.","2013","50","","85","","10.1039/c3cc46784h","","","0.71073","MoKα","","0.0897","0.05","","","0.1255","0.1473","","","","","","1.014","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110153","28.908","0.006","28.908","0.006","5.8899","0.0012","90","","90","","120","","4262.6","1.5","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","2_CO2","","","- C12.17 H10 O2.33 -","- C12.1667 H10 O2.33333 -","- C219 H180 O42 -","18","1","","Tia Jacobs; Vincent J. Smith; Lynne H. Thomas; Leonard J. Barbour","Carbon dioxide entrapment in an organic molecular host","Chem.Commun.","2013","50","","85","","10.1039/c3cc46784h","","","0.71073","MoKα","","0.0537","0.0393","","","0.1012","0.11","","","","","","1.032","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110154","29.0785","0.0018","29.0785","0.0018","5.854","0.0004","90","","90","","120","","4286.7","0.5","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","2_vac_100K","","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Tia Jacobs; Vincent J. Smith; Lynne H. Thomas; Leonard J. Barbour","Carbon dioxide entrapment in an organic molecular host","Chem.Commun.","2013","50","","85","","10.1039/c3cc46784h","","","0.71073","MoKα","","0.0577","0.043","","","0.1092","0.1194","","","","","","1.035","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110155","29.2571","0.0016","29.2571","0.0016","5.9378","0.0003","90","","90","","120","","4401.7","0.4","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","2_vac_293K","","","- C12 H10 O2 -","- C12 H10 O2 -","- C216 H180 O36 -","18","1","","Tia Jacobs; Vincent J. Smith; Lynne H. Thomas; Leonard J. Barbour","Carbon dioxide entrapment in an organic molecular host","Chem.Commun.","2013","50","","85","","10.1039/c3cc46784h","","","0.71073","MoKα","","0.0966","0.0506","","","0.1192","0.1451","","","","","","0.999","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110156","8.5068","0.0019","12.799","0.003","15.65","0.006","79.59","0.01","89.075","0.013","88.211","0.011","1675","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H23 B -","- C20 H23 B -","- C80 H92 B4 -","4","2","","Rudiger Bertermann; Holger Braunschweig; Christopher K. L. Brown; Alexander Damme; Rian D. Dewhurst; Christian Horl; Thomas Kramer; Ivo Krummenacher; Bernd Pfaffinger; Krzysztof Radacki","Diverse reactions of N-heterocyclic carbenes with an alkynylborane and isolation of a reactive zwitterionic borataallene","Chem.Commun.","2013","50","","97","","10.1039/c3cc46947f","","","0.71073","MoKα","","0.0499","0.0406","","","0.0988","0.1045","","","","","","1.023","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110157","11.5165","0.0008","14.9171","0.0012","15.0308","0.0011","93.716","0.004","107.248","0.003","99.859","0.003","2411.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28.5 H35 B N2 -","- C28.5 H35 B N2 -","- C114 H140 B4 N8 -","4","2","","Rudiger Bertermann; Holger Braunschweig; Christopher K. L. Brown; Alexander Damme; Rian D. Dewhurst; Christian Horl; Thomas Kramer; Ivo Krummenacher; Bernd Pfaffinger; Krzysztof Radacki","Diverse reactions of N-heterocyclic carbenes with an alkynylborane and isolation of a reactive zwitterionic borataallene","Chem.Commun.","2013","50","","97","","10.1039/c3cc46947f","","","0.71073","MoKα","","0.0575","0.0436","","","0.1032","0.1111","","","","","","1.036","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7110158","19.927","0.009","18.683","0.01","11.255","0.006","90","","100.333","0.011","90","","4122","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H59 B N2 -","- C47 H59 B N2 -","- C188 H236 B4 N8 -","4","1","","Rudiger Bertermann; Holger Braunschweig; Christopher K. L. Brown; Alexander Damme; Rian D. Dewhurst; Christian Horl; Thomas Kramer; Ivo Krummenacher; Bernd Pfaffinger; Krzysztof Radacki","Diverse reactions of N-heterocyclic carbenes with an alkynylborane and isolation of a reactive zwitterionic borataallene","Chem.Commun.","2013","50","","97","","10.1039/c3cc46947f","","","0.71073","MoKα","","0.1036","0.0595","","","0.1538","0.1775","","","","","","1.036","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110159","22.913","0.013","14.472","0.009","24.947","0.014","90","","104.38","0.012","90","","8013","8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H108 B2 N4 -","- C96 H108 B2 N4 -","- C384 H432 B8 N16 -","4","1","","Rudiger Bertermann; Holger Braunschweig; Christopher K. L. Brown; Alexander Damme; Rian D. Dewhurst; Christian Horl; Thomas Kramer; Ivo Krummenacher; Bernd Pfaffinger; Krzysztof Radacki","Diverse reactions of N-heterocyclic carbenes with an alkynylborane and isolation of a reactive zwitterionic borataallene","Chem.Commun.","2013","50","","97","","10.1039/c3cc46947f","","","0.71073","MoKα","","0.209","0.0878","","","0.2359","0.3028","","","","","","1.045","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110160","12.8504","0.0002","7.6927","0.0001","11.9619","0.0002","90","","101.321","0.001","90","","1159.48","0.03","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","Fenobam","","","- C11 H11 Cl N4 O2 -","- C11 H11 Cl N4 O2 -","- C44 H44 Cl4 N16 O8 -","4","1","","Sajesh P. Thomas; Mysore S. Pavan; T. N. Guru Row","Experimental evidence for 'carbon bonding' in the solid state from charge density analysis","Chem.Commun.","2013","50","","49","","10.1039/c3cc47226d","","x-ray","0.71073","MoKα","","0.033","0.02","","","","0.044","","","","","","0.971","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110161","10.2123","0.0002","9.9415","0.0002","19.0947","0.0004","90","","90","","90","","1938.6","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Dimethylamine 4-hydroxybenzoate","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","","Sajesh P. Thomas; Mysore S. Pavan; T. N. Guru Row","Experimental evidence for 'carbon bonding' in the solid state from charge density analysis","Chem.Commun.","2013","50","","49","","10.1039/c3cc47226d","","x-ray","0.71073","MoKα","","0.063","0.03","","","","0.055","","","","","","1.027","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110162","11.9434","0.0018","11.9397","0.0018","20.73","0.003","90","","93.356","0.003","90","","2951","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H39 F3 N2 O3 P2 S -","- C20 H39 F3 N2 O3 P2 S -","- C80 H156 F12 N8 O12 P8 S4 -","4","1","","Pengfei Ai; Andreas A. Danopoulos; Pierre Braunstein; Kirill Yu. Monakhovc","A novel, rigid diphosphine with an active NHC spacer; di- and trinuclear complexes of d10 coinage metals","Chem.Commun.","2013","50","","103","","10.1039/c3cc47370h","","","0.71073","MoKα","","0.1344","0.0806","","","0.1835","0.2026","","","","","","1.018","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110163","23.8815","0.0012","12.4951","0.0006","15.9372","0.0008","90","","108.781","0.001","90","","4502.5","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H38 N2 P2 -","- C19 H38 N2 P2 -","- C152 H304 N16 P16 -","8","1","","Pengfei Ai; Andreas A. Danopoulos; Pierre Braunstein; Kirill Yu. Monakhovc","A novel, rigid diphosphine with an active NHC spacer; di- and trinuclear complexes of d10 coinage metals","Chem.Commun.","2013","50","","103","","10.1039/c3cc47370h","","","0.71073","MoKα","","0.0581","0.0436","","","0.1054","0.116","","","","","","1.107","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110164","8.8473","0.0005","13.1451","0.0007","23.5989","0.0013","90","","94.395","0.001","90","","2736.4","0.3","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H76 Cu2 F6 N4 O6 P4 S2 -","- C40 H76 Cu2 F6 N4 O6 P4 S2 -","- C80 H152 Cu4 F12 N8 O12 P8 S4 -","2","0.5","","Pengfei Ai; Andreas A. Danopoulos; Pierre Braunstein; Kirill Yu. Monakhovc","A novel, rigid diphosphine with an active NHC spacer; di- and trinuclear complexes of d10 coinage metals","Chem.Commun.","2013","50","","103","","10.1039/c3cc47370h","","","0.71073","MoKα","","0.119","0.0742","","","0.2009","0.2284","","","","","","1.038","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110165","16.4659","0.0012","15.6201","0.0013","24.952","0.002","90","","90","","90","","6417.6","0.9","173","2","173","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C43 H80 Cl4 Cu3 F9 N4 O9 P4 S3 -","- C43 H80 Cl4 Cu3 F9 N4 O9 P4 S3 -","- C172 H320 Cl16 Cu12 F36 N16 O36 P16 S12 -","4","0.5","","Pengfei Ai; Andreas A. Danopoulos; Pierre Braunstein; Kirill Yu. Monakhovc","A novel, rigid diphosphine with an active NHC spacer; di- and trinuclear complexes of d10 coinage metals","Chem.Commun.","2013","50","","103","","10.1039/c3cc47370h","","","0.71073","MoKα","","0.1819","0.0741","","","0.1619","0.216","","","","","","1.022","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110166","16.5334","0.0006","15.6264","0.0005","25.5667","0.0007","90","","90","","90","","6605.3","0.4","173","2","173","2","","","","","","","","9","P n m a","-P 2ac 2n","62","","","","- C43 H80 Ag3 Cl4 F9 N4 O9 P4 S3 -","- C43 H80 Ag3 Cl4 F9 N4 O9 P4 S3 -","- C172 H320 Ag12 Cl16 F36 N16 O36 P16 S12 -","4","0.5","","Pengfei Ai; Andreas A. Danopoulos; Pierre Braunstein; Kirill Yu. Monakhovc","A novel, rigid diphosphine with an active NHC spacer; di- and trinuclear complexes of d10 coinage metals","Chem.Commun.","2013","50","","103","","10.1039/c3cc47370h","","","0.71073","MoKα","","0.0973","0.0454","","","0.0904","0.1137","","","","","","1.048","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110167","12.0469","0.0006","12.6938","0.0006","24.478","0.0012","90.006","0.001","103.562","0.001","116.888","0.001","3221","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H82 Au3 F9 N6 O9 P4 S3 -","- C45 H82 Au3 F9 N6 O9 P4 S3 -","- C90 H164 Au6 F18 N12 O18 P8 S6 -","2","1","","Pengfei Ai; Andreas A. Danopoulos; Pierre Braunstein; Kirill Yu. Monakhovc","A novel, rigid diphosphine with an active NHC spacer; di- and trinuclear complexes of d10 coinage metals","Chem.Commun.","2013","50","","103","","10.1039/c3cc47370h","","","0.71073","MoKα","","0.0593","0.0372","","","0.0713","0.0782","","","","","","1.064","","","","has coordinates,has disorder","180215","2020-10-21","18:00:00",""
"7110168","9.9605","0.0013","7.5342","0.001","12.802","0.0016","90","","98.095","0.007","90","","951.1","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H20 N2 O6 S -","- C19 H20 N2 O6 S -","- C38 H40 N4 O12 S2 -","2","1","","Soumya Jyoti Singha Roy; Santanu Mukherjee","Enantioselective desymmetrization of prochiral 1,3-dinitropropanes via organocatalytic allylic alkylation","Chem.Commun.","2013","50","","121","","10.1039/c3cc47645f","","","0.71073","MoKα","","0.0466","0.0428","","","0.1257","0.1299","","","","","","0.781","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7110169","75.874","0.008","5.7768","0.0007","7.7098","0.0008","90","","92.437","0.012","90","","3376.2","0.6","296.15","","296.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C19 H19 Cl N2 O -","- C19 H19 Cl N2 O -","- C152 H152 Cl8 N16 O8 -","8","2","","Soumya Jyoti Singha Roy; Santanu Mukherjee","Enantioselective desymmetrization of prochiral 1,3-dinitropropanes via organocatalytic allylic alkylation","Chem.Commun.","2013","50","","121","","10.1039/c3cc47645f","","","0.71073","MoKα","","0.1369","0.0569","","","0.1371","0.1712","","","","","","0.86","","","","has coordinates","180215","2020-10-21","18:00:00",""
"7112287","14.0971","0.0008","10.1806","0.0006","15.1958","0.0009","90","","91.922","0.002","90","","2179.6","0.2","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 Br N O6 -","- C21 H20 Br N O6 -","- C84 H80 Br4 N4 O24 -","4","2","","Luo, Jie; Wang, Haifei; Zhong, Fangrui; Kwiatkowski, Jacek; Xu, Li-Wen; Lu, Yixin","Highly diastereoselective and enantioselective direct Michael addition of phthalide derivatives to nitroolefins.","Chemical communications (Cambridge, England)","2013","49","51","5775","5777","10.1039/c3cc42187b","","","0.71073","MoKα","","0.0916","0.0552","","","0.1119","0.1254","","","","","","0.972","","","","has coordinates,has disorder","180236","2020-10-21","18:00:00",""
"7112338","11.69544","0.00018","5.52783","0.0001","42.0817","0.0007","90","","103.306","0.0016","90","","2647.56","0.08","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 O2 -","- C34 H28 O2 -","- C136 H112 O8 -","4","1","","Li, Shaoguang; Langenegger, Simon M.; Häner, Robert","Control of aggregation-induced emission by DNA hybridization.","Chemical communications (Cambridge, England)","2013","49","52","5835","5837","10.1039/c3cc42706d","","","0.71069","MoKα","","0.0607","0.0455","","","0.0904","0.0977","","","","","","1.055","","","","has coordinates","180237","2020-10-21","18:00:00",""
"7112339","9.33039","0.00018","11.2433","0.0004","13.3555","0.0003","99.498","0.002","91.6021","0.0019","107.191","0.002","1315.73","0.06","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34.5 H29 Cl O2 -","- C34.5 H29 Cl O2 -","- C69 H58 Cl2 O4 -","2","1","","Li, Shaoguang; Langenegger, Simon M.; Häner, Robert","Control of aggregation-induced emission by DNA hybridization.","Chemical communications (Cambridge, England)","2013","49","52","5835","5837","10.1039/c3cc42706d","","","0.71073","MoKα","","0.0842","0.0648","","","0.1988","0.2163","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112340","8.8221","0.0002","11.573","0.0003","13.5452","0.0003","68.274","0.002","86.53","0.002","82.154","0.002","1272.6","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H52 Cu2 N4 O16 -","- C44 H52 Cu2 N4 O16 -","- C44 H52 Cu2 N4 O16 -","1","0.5","","do Pim, Walace D.; Oliveira, Willian X. C.; Ribeiro, Marcos A.; de Faria, Érica N; Teixeira, Ivo F.; Stumpf, Humberto O.; Lago, Rochel M.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Figueiredo, Jr, João C D; Nunes, Wallace C.; de Souza, Patterson P.; Pedroso, Emerson F.; Castellano, María; Cano, Joan; Julve, Miguel","A pH-triggered bistable copper(II) metallacycle as a reversible emulsion switch for biphasic processes.","Chemical communications (Cambridge, England)","2013","49","92","10778","10780","10.1039/c3cc46242k","","","0.71073","MoKα","","0.0783","0.0759","","","0.2447","0.2474","","","","","","1.083","","","","has coordinates,has disorder","180237","2020-10-21","18:00:00",""
"7112341","6.656","0.0002","9.1479","0.0002","16.3406","0.0004","90","","93.502","0.002","90","","993.1","0.04","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N O3 -","- C11 H12 N O3 -","- C44 H48 N4 O12 -","4","1","","do Pim, Walace D.; Oliveira, Willian X. C.; Ribeiro, Marcos A.; de Faria, Érica N; Teixeira, Ivo F.; Stumpf, Humberto O.; Lago, Rochel M.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Figueiredo, Jr, João C D; Nunes, Wallace C.; de Souza, Patterson P.; Pedroso, Emerson F.; Castellano, María; Cano, Joan; Julve, Miguel","A pH-triggered bistable copper(II) metallacycle as a reversible emulsion switch for biphasic processes.","Chemical communications (Cambridge, England)","2013","49","92","10778","10780","10.1039/c3cc46242k","","","0.71073","MoKα","","0.0409","0.0327","","","0.0993","0.103","","","","","","0.94","","","","has coordinates","180237","2020-10-21","18:00:00",""
"7112342","14.2234","0.0002","17.5944","0.0004","21.3698","0.0004","90","","90","","90","","5347.84","0.17","293","2","293","2","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C100 H164 Cu2 N8 O16 -","- C100 H164 Cu2 N8 O16 -","- C200 H328 Cu4 N16 O32 -","2","0.25","","do Pim, Walace D.; Oliveira, Willian X. C.; Ribeiro, Marcos A.; de Faria, Érica N; Teixeira, Ivo F.; Stumpf, Humberto O.; Lago, Rochel M.; Pereira, Cynthia L. M.; Pinheiro, Carlos B.; Figueiredo, Jr, João C D; Nunes, Wallace C.; de Souza, Patterson P.; Pedroso, Emerson F.; Castellano, María; Cano, Joan; Julve, Miguel","A pH-triggered bistable copper(II) metallacycle as a reversible emulsion switch for biphasic processes.","Chemical communications (Cambridge, England)","2013","49","92","10778","10780","10.1039/c3cc46242k","","","0.71073","MoKα","","0.0528","0.049","","","0.1443","0.15","","","","","","1.167","","","","has coordinates,has disorder","180237","2020-10-21","18:00:00",""
"7112343","24.2423","0.0016","25.3429","0.0017","9.7891","0.0007","90","","90","","90","","6014.1","0.7","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C63 H83 Cl4 N5 O4 -","- C63 H83 Cl4 N5 O4 -","- C252 H332 Cl16 N20 O16 -","4","1","","Tresca, Blakely W.; Zakharov, Lev N.; Carroll, Calden N.; Johnson, Darren W.; Haley, Michael M.","Aryl C-H···Cl(-) hydrogen bonding in a fluorescent anion sensor.","Chemical communications (Cambridge, England)","2013","49","65","7240","7242","10.1039/c3cc44574g","","","0.71073","MoKα","","0.067","0.0614","","","0.1674","0.1737","","","","","","1.054","","","","has coordinates","180237","2020-10-21","18:00:00",""
"7112365","8.7524","0.0004","15.1376","0.0007","15.8697","0.0008","90","","90","","90","","2102.58","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N5 O2 S -","- C20 H25 N5 O2 S -","- C80 H100 N20 O8 S4 -","4","1","","Yan, Xiao-Sheng; Wu, Kun; Yuan, Yuan; Zhan, Ying; Wang, Jin-He; Li, Zhao; Jiang, Yun-Bao","β-Turn structure in glycinylphenylalanine dipeptide based N-amidothioureas","Chemical Communications (Cambridge, United Kingdom)","2013","49","79","8943","8945","10.1039/c3cc44336a","","","0.71073","MoKα","","0.0411","0.036","","","0.104","0.1088","","","","","","0.814","","","","has coordinates","211022","2020-10-21","18:00:00",""
"7112369","10.7679","0.0016","19.98","0.003","15.372","0.002","90","","101.793","0.002","90","","3237.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H53 Fe2 N12 O28 Y2 -","- C50.5 H53 Fe2 N12 O28 Y2 -","- C101 H106 Fe4 N24 O56 Y4 -","2","0.5","","Xiang, Hua; Mereacre, Valeriu; Lan, Yanhua; Lu, Tong-Bu; Anson, Christopher E.; Powell, Annie K.","Direct observation of the role of lanthanides in stabilizing a ferromagnetic spin orientation in a weak Fe(III)-Fe(III) antiferromagnet.","Chemical communications (Cambridge, England)","2013","49","67","7385","7387","10.1039/c3cc42416b","","","0.71073","MoKα","","0.0714","0.0399","","","0.0895","0.1015","","","","","","1.004","","","","has coordinates,has disorder","180237","2020-10-21","18:00:00",""
"7112370","10.7598","0.0008","20.0249","0.0014","15.3646","0.0011","90","","101.813","0.001","90","","3240.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50.5 H53 Dy2 Fe2 N12 O28 -","- C50.5 H53 Dy2 Fe2 N12 O28 -","- C101 H106 Dy4 Fe4 N24 O56 -","2","0.5","","Xiang, Hua; Mereacre, Valeriu; Lan, Yanhua; Lu, Tong-Bu; Anson, Christopher E.; Powell, Annie K.","Direct observation of the role of lanthanides in stabilizing a ferromagnetic spin orientation in a weak Fe(III)-Fe(III) antiferromagnet.","Chemical communications (Cambridge, England)","2013","49","67","7385","7387","10.1039/c3cc42416b","","","0.71073","MoKα","","0.0311","0.0266","","","0.0652","0.0678","","","","","","1.036","","","","has coordinates,has disorder","180237","2020-10-21","18:00:00",""
"7112379","9.9067","0.0013","9.1539","0.0013","10.995","0.0015","90","","106.318","0.002","90","","956.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H20 Br N O2 S2 -","- C19 H20 Br N O2 S2 -","- C38 H40 Br2 N2 O4 S4 -","2","1","","Zhu, Kailong; Huang, Huicai; Wu, Wenbin; Wei, Yuan; Ye, Jinxing","Aminocatalyzed asymmetric Diels-Alder reaction of 2,4-dienals and rhodanine/hydantoin derivatives.","Chemical communications (Cambridge, England)","2013","49","21","2157","2159","10.1039/c3cc00023k","","","0.71073","MoKα","","0.0329","0.0299","","","0.0733","0.0745","","","","","","1.065","","","","has coordinates","180237","2020-10-21","18:00:00",""
"7112385","13.563","0.004","14.33","0.003","15.134","0.003","72.722","0.011","76.995","0.018","88.831","0.014","2733.2","1.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Compound 4a","","","- C147 H92 Ag2 F6 N4 O22 S2 -","- C147 H92 Ag2 F6 N4 O22 S2 -","- C147 H92 Ag2 F6 N4 O22 S2 -","1","0.5","","Peng, Ping; Li, Fang-Fang; Bowles, Faye L.; Neti, Venkata S Pavan K; J Metta-Magana, Alejandro; Olmstead, Marilyn M.; Balch, Alan L.; Echegoyen, Luis","High yield synthesis of a new fullerene linker and its use in the formation of a linear coordination polymer by silver complexation.","Chemical communications (Cambridge, England)","2013","49","31","3209","3211","10.1039/c3cc40697k","","","0.7749","Synchrotron","","0.039","0.0349","","","0.0929","0.0955","","","","","","1.026","","","","has coordinates,has disorder","180237","2020-10-21","18:00:00",""
"7112386","11.0646","0.0009","15.0722","0.0011","17.004","0.0012","95.111","0.004","104.941","0.004","94.393","0.004","2714.3","0.4","100","2","100","2","","","","","","","","8","P 1","P 1","1","Compound 4b","","","- C146 H94 Ag2 B2 Cl2 F8 N4 O16 -","- C146 H94 Ag2 B2 Cl2 F8 N4 O16 -","- C146 H94 Ag2 B2 Cl2 F8 N4 O16 -","1","1","","Peng, Ping; Li, Fang-Fang; Bowles, Faye L.; Neti, Venkata S Pavan K; J Metta-Magana, Alejandro; Olmstead, Marilyn M.; Balch, Alan L.; Echegoyen, Luis","High yield synthesis of a new fullerene linker and its use in the formation of a linear coordination polymer by silver complexation.","Chemical communications (Cambridge, England)","2013","49","31","3209","3211","10.1039/c3cc40697k","","","0.7749","synchrotron","","0.0553","0.0512","","","0.1374","0.1421","","","","","","1.027","","","","has coordinates,has disorder","180237","2020-10-21","18:00:00",""
"7112387","10.1119","0.0005","11.0499","0.0008","12.7808","0.0008","101.472","0.006","102.024","0.004","108.351","0.005","1270.77","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Ca2(azbz-TC)(DMF)(H2O)","","","- C19 H15 Ca2 N3 O10 -","- C19 H7 Ca2 N3 O10 -","- C38 H14 Ca4 N6 O20 -","2","1","","Miller, Stuart R.; Alvarez, Elsa; Fradcourt, Lucie; Devic, Thomas; Wuttke, Stefan; Wheatley, Paul S.; Steunou, Nathalie; Bonhomme, Christian; Gervais, Christel; Laurencin, Danielle; Morris, Russell E.; Vimont, Alexandre; Daturi, Marco; Horcajada, Patricia; Serre, Christian","A rare example of a porous Ca-MOF for the controlled release of biologically active NO.","Chemical communications (Cambridge, England)","2013","49","71","7773","7775","10.1039/c3cc41987h","","","0.709622","synchrotron","","0.0733","0.0698","","","0.1949","0.1976","","","","","","1.068","","","","has coordinates","180237","2020-10-21","18:00:00",""
"7112388","8.1095","0.0001","15.6301","0.0003","16.3634","0.0003","90","","90","","90","","2074.1","0.06","150","","150","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","","","- C22 H31 Al N2 -","- C22 H31 Al N2 -","- C88 H124 Al4 N8 -","4","1","","Abdalla, Joseph A. B.; Riddlestone, Ian M.; Tirfoin, Remi; Phillips, Nicholas; Bates, Joshua I.; Aldridge, Simon","Al-H σ-bond coordination: expanded ring carbene adducts of AlH3 as neutral bi- and tri-functional donor ligands.","Chemical communications (Cambridge, England)","2013","49","49","5547","5549","10.1039/c3cc42342e","","","0.71073","MoKα","","0.0507","0.0411","","0.1008","0.0889","0.1008","","","","","","0.9516","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112389","10.6568","0.0001","19.299","0.0002","16.7649","0.0002","90","","105.36","0.0005","90","","3324.81","0.06","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H51 Al N2 -","- C35 H51 Al N2 -","- C140 H204 Al4 N8 -","4","1","","Abdalla, Joseph A. B.; Riddlestone, Ian M.; Tirfoin, Remi; Phillips, Nicholas; Bates, Joshua I.; Aldridge, Simon","Al-H σ-bond coordination: expanded ring carbene adducts of AlH3 as neutral bi- and tri-functional donor ligands.","Chemical communications (Cambridge, England)","2013","49","49","5547","5549","10.1039/c3cc42342e","","","0.71073","MoKα","","0.0612","0.0463","","0.111","0.101","0.1109","","","","","","0.9276","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112390","9.8068","0.0001","17.0565","0.0002","18.6455","0.0002","75.1194","0.0004","88.9465","0.0004","85.738","0.0004","3005.89","0.06","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H67 Al2 F Mo2 N4 O8 -","- C58 H67 Al2 F Mo2 N4 O8 -","- C116 H134 Al4 F2 Mo4 N8 O16 -","2","1","","Abdalla, Joseph A. B.; Riddlestone, Ian M.; Tirfoin, Remi; Phillips, Nicholas; Bates, Joshua I.; Aldridge, Simon","Al-H σ-bond coordination: expanded ring carbene adducts of AlH3 as neutral bi- and tri-functional donor ligands.","Chemical communications (Cambridge, England)","2013","49","49","5547","5549","10.1039/c3cc42342e","","","0.71073","MoKα","","0.0592","0.0415","","0.1098","0.0917","0.1098","","","","","","0.9335","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7112391","15.6606","0.0001","10.5232","0.0001","23.2731","0.0002","90","","98.8379","0.0004","90","","3789.86","0.05","150","","150","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H47 Al F2 Mo N2 O4 -","- C38 H47 Al F2 Mo N2 O4 -","- C152 H188 Al4 F8 Mo4 N8 O16 -","4","1","","Abdalla, Joseph A. B.; Riddlestone, Ian M.; Tirfoin, Remi; Phillips, Nicholas; Bates, Joshua I.; Aldridge, Simon","Al-H σ-bond coordination: expanded ring carbene adducts of AlH3 as neutral bi- and tri-functional donor ligands.","Chemical communications (Cambridge, England)","2013","49","49","5547","5549","10.1039/c3cc42342e","","","0.71073","MoKα","","0.0616","0.0439","","0.1092","0.0939","0.1092","","","","","","0.9145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112392","29.5361","0.0002","19.913","0.0002","26.0448","0.0002","90","","124.33","0.0004","90","","12649.9","0.19","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C119.8 H1137.2 Al4 F6.6 Mo4 N8 O12 -","- C112 H132 Al4 F4 Mo4 N8 O12 -","- C448 H528 Al16 F16 Mo16 N32 O48 -","4","0.5","","Abdalla, Joseph A. B.; Riddlestone, Ian M.; Tirfoin, Remi; Phillips, Nicholas; Bates, Joshua I.; Aldridge, Simon","Al-H σ-bond coordination: expanded ring carbene adducts of AlH3 as neutral bi- and tri-functional donor ligands.","Chemical communications (Cambridge, England)","2013","49","49","5547","5549","10.1039/c3cc42342e","","","0.71073","MoKα","","0.0951","0.0567","","0.1759","0.136","0.1758","","","","","","0.9861","","","","has coordinates","180237","2020-10-21","18:00:00",""
"7112393","8.513","0.0004","21.2953","0.0009","13.6687","0.0006","90","","97.307","0.001","90","","2457.83","0.19","100","1","100","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Cl2 Mn N8 O8 -","- C18 H28 Cl2 Mn N8 O8 -","- C72 H112 Cl8 Mn4 N32 O32 -","4","1","","El Ghachtouli, Sanae; Ching, H. Y. Vincent; Lassalle-Kaiser, Benedikt; Guillot, Régis; Leto, Domenick F.; Chattopadhyay, Swarup; Jackson, Timothy A.; Dorlet, Pierre; Anxolabéhère-Mallart, Elodie","Electrochemical formation of Mn(III)-peroxo complexes supported by pentadentate amino pyridine and imidazole ligands.","Chemical communications (Cambridge, England)","2013","49","50","5696","5698","10.1039/c3cc41300d","","x-ray","0.71073","MoKα","","0.0428","0.0316","","","0.0826","0.0868","","","","","","1.022","","","","has coordinates","180237","2020-10-21","18:00:00",""
"7112394","9.5092","0.0012","10.8499","0.0013","14.27","0.003","97.998","0.003","98.664","0.003","115.391","0.002","1280.2","0.4","100","1","100","1","","","","","","","","8","P -1","-P 1","2","","","","- C18.5 H30 Cl F6 Mn N8 O0.5 P -","- C18.5 H30 Cl F6 Mn N8 O0.5 P -","- C37 H60 Cl2 F12 Mn2 N16 O P2 -","2","1","","El Ghachtouli, Sanae; Ching, H. Y. Vincent; Lassalle-Kaiser, Benedikt; Guillot, Régis; Leto, Domenick F.; Chattopadhyay, Swarup; Jackson, Timothy A.; Dorlet, Pierre; Anxolabéhère-Mallart, Elodie","Electrochemical formation of Mn(III)-peroxo complexes supported by pentadentate amino pyridine and imidazole ligands.","Chemical communications (Cambridge, England)","2013","49","50","5696","5698","10.1039/c3cc41300d","","","0.71073","MoKα","","0.0602","0.0486","","","0.1303","0.1414","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112398","7.8183","0.001","9.0188","0.0012","9.2659","0.0014","113.807","0.007","95.38","0.007","95.722","0.006","588.3","0.15","172","2","172","2","","","","","","","","5","P -1","-P 1","2","1_173","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C20 H16 Br4 N4 Zn2 -","2","1","","Lusi, Matteo; Bernstein, Joel","On the propulsion mechanism of ""jumping"" crystals.","Chemical communications (Cambridge, England)","2013","49","81","9293","9295","10.1039/c3cc45646c","","","0.71073","MoKα","","0.2166","0.1618","","","0.4651","0.4944","","","","","","1.695","","","","has coordinates","180237","2020-10-21","18:00:00",""
"7112399","7.8185","0.0009","9.0276","0.001","9.2664","0.0012","113.539","0.006","95.267","0.006","95.631","0.005","590.54","0.13","191","2","191","2","","","","","","","","5","P -1","-P 1","2","1_193","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C20 H16 Br4 N4 Zn2 -","2","1","","Lusi, Matteo; Bernstein, Joel","On the propulsion mechanism of ""jumping"" crystals.","Chemical communications (Cambridge, England)","2013","49","81","9293","9295","10.1039/c3cc45646c","","","0.71073","MoKα","","0.2056","0.1525","","","0.4581","0.4836","","","","","","1.589","","","","has coordinates","180237","2020-10-21","18:00:00",""
"7112400","7.8238","0.0011","9.0676","0.0012","9.2577","0.0014","113.055","0.007","95.086","0.007","95.526","0.006","595.75","0.15","212","2","212","2","","","","","","","","5","P -1","-P 1","2","1_213","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C20 H16 Br4 N4 Zn2 -","2","1","","Lusi, Matteo; Bernstein, Joel","On the propulsion mechanism of ""jumping"" crystals.","Chemical communications (Cambridge, England)","2013","49","81","9293","9295","10.1039/c3cc45646c","","","0.71073","MoKα","","0.2238","0.1545","","","0.4051","0.452","","","","","","1.085","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112401","10.7106","0.0003","14.8067","0.0005","7.7624","0.0003","90","","98.299","0.002","90","","1218.14","0.07","232","2","232","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1_233","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C40 H32 Br8 N8 Zn4 -","4","0.5","","Lusi, Matteo; Bernstein, Joel","On the propulsion mechanism of ""jumping"" crystals.","Chemical communications (Cambridge, England)","2013","49","81","9293","9295","10.1039/c3cc45646c","","","0.71073","MoKα","","0.0855","0.0374","","","0.0828","0.0955","","","","","","1.014","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112402","10.7281","0.0005","14.8021","0.0007","7.7704","0.0003","90","","98.098","0.002","90","","1221.62","0.09","252","2","252","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1_253","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C40 H32 Br8 N8 Zn4 -","4","0.5","","Lusi, Matteo; Bernstein, Joel","On the propulsion mechanism of ""jumping"" crystals.","Chemical communications (Cambridge, England)","2013","49","81","9293","9295","10.1039/c3cc45646c","","","0.71073","MoKα","","0.0916","0.0364","","","0.0829","0.0974","","","","","","0.955","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112403","10.7501","0.0005","14.797","0.0008","7.7792","0.0004","90","","97.911","0.003","90","","1225.65","0.11","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","1_273","","","- C10 H8 Br2 N2 Zn -","- C10 H8 Br2 N2 Zn -","- C40 H32 Br8 N8 Zn4 -","4","0.5","","Lusi, Matteo; Bernstein, Joel","On the propulsion mechanism of ""jumping"" crystals.","Chemical communications (Cambridge, England)","2013","49","81","9293","9295","10.1039/c3cc45646c","","","0.71073","MoKα","","0.1011","0.0361","","","0.0847","0.1021","","","","","","0.944","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112404","16.6959","0.0003","25.6652","0.0005","13.6023","0.0003","90","","90","","90","","5828.6","0.2","198","","198","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C23 H43 As2 Cl3 Mo N -","- C23 H43 As2 Cl3 Mo N -","- C184 H344 As16 Cl24 Mo8 N8 -","8","1","","Tanabe, Yoshiaki; Kuriyama, Shogo; Arashiba, Kazuya; Miyake, Yoshihiro; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum-dinitrogen complexes bearing an arsenic-containing ANA-type pincer ligand.","Chemical communications (Cambridge, England)","2013","49","81","9290","9292","10.1039/c3cc45228j","","","0.71075","MoKα","","","0.0191","","","","0.0395","","","","","","1","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112405","18.4671","0.0005","13.9179","0.0004","25.7755","0.0008","90","","104.882","0.0008","90","","6402.7","0.3","183","","183","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H100 As4 Mo2 N12 -","- C52 H100 As4 Mo2 N12 -","- C208 H400 As16 Mo8 N48 -","4","1","","Tanabe, Yoshiaki; Kuriyama, Shogo; Arashiba, Kazuya; Miyake, Yoshihiro; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum-dinitrogen complexes bearing an arsenic-containing ANA-type pincer ligand.","Chemical communications (Cambridge, England)","2013","49","81","9290","9292","10.1039/c3cc45228j","","","0.71075","MoKα","","","0.0603","","","","0.0973","","","","","","1","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112406","10.6374","0.001","11.4503","0.001","15.0424","0.0012","107.861","0.0018","99.1578","0.0017","105.823","0.002","1617.8","0.2","198","","198","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H52 As2 Mo N5 P -","- C26 H52 As2 Mo N5 P -","- C52 H104 As4 Mo2 N10 P2 -","2","1","","Tanabe, Yoshiaki; Kuriyama, Shogo; Arashiba, Kazuya; Miyake, Yoshihiro; Nakajima, Kazunari; Nishibayashi, Yoshiaki","Preparation and reactivity of molybdenum-dinitrogen complexes bearing an arsenic-containing ANA-type pincer ligand.","Chemical communications (Cambridge, England)","2013","49","81","9290","9292","10.1039/c3cc45228j","","","0.71075","MoKα","","","0.0559","","","","0.0782","","","","","","1","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112407","10.3","0.002","10.581","0.002","15.189","0.003","90","","103.23","0.002","90","","1611.4","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Fe N4 O3 -","- C14 H16 Fe N4 O3 -","- C56 H64 Fe4 N16 O12 -","4","1","","Hsieh, Chung-Hung; Pulukkody, Randara; Darensbourg, Marcetta Y.","A dinitrosyl iron complex as a platform for metal-bound imidazole to N-heterocyclic carbene conversion.","Chemical communications (Cambridge, England)","2013","49","81","9326","9328","10.1039/c3cc45091k","","","0.71073","MoKα","","0.0285","0.0258","","","0.0725","0.0746","","","","","","1.078","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112408","12.373","0.002","23.135","0.004","9.6348","0.0018","90","","90","","90","","2758","0.8","110","2","110","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C29 H38 Fe N6 O2 -","- C29 H38 Fe N6 O2 -","- C116 H152 Fe4 N24 O8 -","4","1","","Hsieh, Chung-Hung; Pulukkody, Randara; Darensbourg, Marcetta Y.","A dinitrosyl iron complex as a platform for metal-bound imidazole to N-heterocyclic carbene conversion.","Chemical communications (Cambridge, England)","2013","49","81","9326","9328","10.1039/c3cc45091k","","","0.71073","MoKα","","0.0285","0.0275","","","0.0775","0.0783","","","","","","1.1","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112409","10.9146","0.0013","15.4743","0.0018","11.7202","0.0014","90","","114.907","0.001","90","","1795.4","0.4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 B F4 Fe N5 O3 -","- C13 H16 B F4 Fe N5 O3 -","- C52 H64 B4 F16 Fe4 N20 O12 -","4","1","","Hsieh, Chung-Hung; Pulukkody, Randara; Darensbourg, Marcetta Y.","A dinitrosyl iron complex as a platform for metal-bound imidazole to N-heterocyclic carbene conversion.","Chemical communications (Cambridge, England)","2013","49","81","9326","9328","10.1039/c3cc45091k","","","0.71073","MoKα","","0.0432","0.0383","","","0.0987","0.1026","","","","","","1.043","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112410","19.467","0.001","19.467","0.001","10.8548","0.0006","90","","90","","120","","3562.5","0.3","296.24","0.1","296.24","0.1","","","","","","","","4","P 65","P 65","170","","","","- C22 H22 N4 O6 -","- C22 H22 N4 O6 -","- C132 H132 N24 O36 -","6","1","","Zhang, Jinlong; Liu, Xihong; Ma, Xiaojuan; Wang, Rui","Organocatalyzed asymmetric vinylogous Michael addition of α,β-unsaturated γ-butyrolactam.","Chemical communications (Cambridge, England)","2013","49","81","9329","9331","10.1039/c3cc44059a","","","0.7107","MoKα","","0.1251","0.0869","","","0.2303","0.2721","","","","","","1.08","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112411","11.6604","0.001","11.6604","0.001","27.212","0.002","90","","90","","120","","3204.2","0.5","295.9","0.1","295.9","0.1","","","","","","","","5","P 32","P 32","145","","","","- C19 H20 Cl3 N O4 -","- C19 H20 Cl3 N O4 -","- C114 H120 Cl18 N6 O24 -","6","2","","Zhang, Jinlong; Liu, Xihong; Ma, Xiaojuan; Wang, Rui","Organocatalyzed asymmetric vinylogous Michael addition of α,β-unsaturated γ-butyrolactam.","Chemical communications (Cambridge, England)","2013","49","81","9329","9331","10.1039/c3cc44059a","","","0.7107","MoKα","","0.0933","0.0654","","","0.1576","0.1878","","","","","","1.064","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112472","5.985","0.002","9.373","0.004","16.021","0.006","80.467","0.008","88.504","0.008","77.301","0.008","864.6","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O -","- C23 H22 O -","- C46 H44 O2 -","2","1","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy","Ambient arylmagnesiation of alkynes catalysed by ligandless nickel(ii).","Chemical communications (Cambridge, England)","2013","49","86","10121","10123","10.1039/c3cc45202f","","","0.71073","MoKα","","0.0917","0.0722","","","0.1757","0.1933","","","","","","1.053","","","","has coordinates,has disorder","180238","2020-10-21","18:00:00",""
"7112473","9.3013","0.0008","10.3979","0.0009","17.359","0.0015","78.282","0.001","89.092","0.002","88.732","0.002","1643.4","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H19 F -","- C22 H19 F -","- C88 H76 F4 -","4","2","","Xue, Fei; Zhao, Jin; Hor, T. S. Andy","Ambient arylmagnesiation of alkynes catalysed by ligandless nickel(ii).","Chemical communications (Cambridge, England)","2013","49","86","10121","10123","10.1039/c3cc45202f","","","0.71073","MoKα","","0.0674","0.052","","","0.1389","0.1465","","","","","","1.085","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112497","12.104","0.005","16.437","0.005","27.634","0.005","90","0.005","90","0.005","90","0.005","5498","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cu2 N2 O10 -","- C24 H34 Cu2 N2 O10 -","- C192 H272 Cu16 N16 O80 -","8","2","","Arjmand, Farukh; Muddassir, Mohd; Zaidi, Yusra; Ray, Debashis","Design, synthesis and crystal structure determination of dinuclear copper-based potential chemotherapeutic drug entities; in vitro DNA binding, cleavage studies and an evaluation of genotoxicity by micronucleus test and comet assay","MedChemComm","2013","4","2","394","","10.1039/c2md20141k","","","0.71069","MoKα","","0.0975","0.0628","","","0.1443","0.1886","","","","","","1.069","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112498","5.4814","0.0002","15.0113","0.0006","18.9143","0.0007","90","","90.881","0.002","90","","1556.14","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H21 Cl N2 O3 -","- C15 H21 Cl N2 O3 -","- C60 H84 Cl4 N8 O12 -","4","1","","Cojocaru, O. Andreea; Bica, Katharina; Gurau, Gabriela; Narita, Asako; McCrary, Parker D.; Shamshina, Julia L.; Barber, Patrick S.; Rogers, Robin D.","Prodrug ionic liquids: functionalizing neutral active pharmaceutical ingredients to take advantage of the ionic liquid form","MedChemComm","2013","4","3","559","","10.1039/c3md20359j","","","0.71073","MoKα","","0.0417","0.0306","","","0.0695","0.0749","","","","","","1.018","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112499","9.5949","0.0007","14.3513","0.001","17.5913","0.0013","90","","102.694","0.001","90","","2363.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H37 Cl N O3 P -","- C22 H37 Cl N O3 P -","- C88 H148 Cl4 N4 O12 P4 -","4","1","","Cojocaru, O. Andreea; Bica, Katharina; Gurau, Gabriela; Narita, Asako; McCrary, Parker D.; Shamshina, Julia L.; Barber, Patrick S.; Rogers, Robin D.","Prodrug ionic liquids: functionalizing neutral active pharmaceutical ingredients to take advantage of the ionic liquid form","MedChemComm","2013","4","3","559","","10.1039/c3md20359j","","","0.71073","MoKα","","0.0602","0.0462","","","0.1105","0.1192","","","","","","1.03","","","","has coordinates","180238","2020-10-21","18:00:00",""
"7112500","9.795","0.0002","14.728","0.0003","10.036","0.0002","90","","107.768","0.001","90","","1378.74","0.05","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 S -","- C15 H14 N4 S -","- C60 H56 N16 S4 -","4","1","","Ciupa, Alexander; De Bank, Paul A.; Mahon, Mary F.; Wood, Pauline J.; Caggiano, Lorenzo","Synthesis and antiproliferative activity of some 3-(pyrid-2-yl)-pyrazolines","MedChemComm","2013","4","6","956","","10.1039/c3md00077j","","","0.71073","MoKα","","0.0608","0.0392","","","0.0883","0.0979","","","","","","1.026","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112501","6.977","0.0001","22.095","0.0002","26.601","0.0003","90","","90","","90","","4100.73","0.08","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N3 O4 -","- C24 H23 N3 O4 -","- C192 H184 N24 O32 -","8","1","","Ciupa, Alexander; De Bank, Paul A.; Mahon, Mary F.; Wood, Pauline J.; Caggiano, Lorenzo","Synthesis and antiproliferative activity of some 3-(pyrid-2-yl)-pyrazolines","MedChemComm","2013","4","6","956","","10.1039/c3md00077j","","","0.71073","MoKα","","0.0649","0.0422","","","0.0882","0.0991","","","","","","1.051","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112502","9.77","0.0002","9.7877","0.0003","12.2436","0.0005","88.65","0.003","87.135","0.003","75.316","0.002","1131.08","0.06","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 Au N2 O S -","- C26 H27 Au N2 O S -","- C52 H54 Au2 N4 O2 S2 -","2","1","","Rubbiani, Riccardo; Schuh, Esther; Meyer, Andreas; Lemke, Jessika; Wimberg, Jan; Metzler-Nolte, Nils; Meyer, Franc; Mohr, Fabian; Ott, Ingo","TrxR inhibition and antiproliferative activities of structurally diverse gold N-heterocyclic carbene complexes","MedChemComm","2013","4","6","942","","10.1039/c3md00076a","","","0.7107","MoKα","","0.0365","0.0315","","","0.0631","0.0652","","","","","","1.107","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112503","7.2598","0.0002","10.0853","0.0003","12.2011","0.0003","101.01","0.001","93.643","0.002","100.482","0.001","857.77","0.04","296","2","296","2","","","","","","","synthetised","5","P -1","-P 1","2","","6,7-dimethoxy-1-methyl-1,4-dihydroindeno[1,2-<i>c</i>]pyrazol-4-amine dihydrochloride","","- C13 H21 Cl2 N3 O4 -","- C13 H21 Cl2 N3 O4 -","- C26 H42 Cl4 N6 O8 -","2","1","","Genest, David; Rochais, Christophe; Lecoutey, Cédric; Oliveira Santos, Jana Sopkova-de; Ballandonne, Céline; Butt-Gueulle, Sabrina; Legay, Remi; Since, Marc; Dallemagne, Patrick","Design, synthesis and biological evaluation of novel indano- and thiaindano-pyrazoles with potential interest for Alzheimer's disease","MedChemComm","2013","4","6","925","","10.1039/c3md00041a","","","0.71073","MoKα","","0.0647","0.0422","","","0.1214","0.1372","","","","","","1.016","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112504","6.7601","0.0002","8.9249","0.0003","22.5441","0.0005","90","","97.265","0.002","90","","1349.24","0.07","296","2","296","2","","","","","","","synthetised","6","P 1 21/c 1","-P 2ybc","14","","<i>N</i>-{(5E)-5-[(dimethylamino)methylene]-6-oxo-5,6-dihydro-4<i>H</i>-cyclopenta[<i>b</i>]thien-4-yl}-2.2,2-trifluoroacetamide","","- C12 H11 F3 N2 O2 S -","- C12 H11 F3 N2 O2 S -","- C48 H44 F12 N8 O8 S4 -","4","1","","Genest, David; Rochais, Christophe; Lecoutey, Cédric; Oliveira Santos, Jana Sopkova-de; Ballandonne, Céline; Butt-Gueulle, Sabrina; Legay, Remi; Since, Marc; Dallemagne, Patrick","Design, synthesis and biological evaluation of novel indano- and thiaindano-pyrazoles with potential interest for Alzheimer's disease","MedChemComm","2013","4","6","925","","10.1039/c3md00041a","","","0.71073","MoKα","","0.0743","0.0465","","","0.1115","0.1259","","","","","","1.052","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112505","23.812","0.007","6.666","0.0007","18.297","0.004","90","","123.79","0.03","90","","2413.7","1.2","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H34 N O6 Si -","- C22 H34 N O6 Si -","- C88 H136 N4 O24 Si4 -","4","1","","Wang, Jen-Tsung; Lin, Ting-Chien; Chen, Ying-Hsuan; Lin, Chun-Hung; Fang, Jim-Min","Polyhydroxylated pyrrolidine and 2-oxapyrrolizidine as glycosidase inhibitors","MedChemComm","2013","4","5","783","","10.1039/c3md00033h","","","1.54178","CuKα","","0.0612","0.0575","","","0.1555","0.1659","","","","","","1.034","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112506","7.929","0.004","12.53","0.004","12.977","0.008","90","","90","","90","","1289.3","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Cl N2 O -","- C14 H15 Cl N2 O -","- C56 H60 Cl4 N8 O4 -","4","1","","Masciocchi, Daniela; Gelain, Arianna; Porta, Federica; Meneghetti, Fiorella; Pedretti, Alessandro; Celentano, Giuseppe; Barlocco, Daniela; Legnani, Laura; Toma, Lucio; Kwon, Byoung-Mog; Asai, Akira; Villa, Stefania","Synthesis, structure‒activity relationships and stereochemical investigations of new tricyclic pyridazinone derivatives as potential STAT3 inhibitors","MedChemComm","2013","4","8","1181","","10.1039/c3md00095h","","","0.71073","MoKα","","0.0948","0.041","","","0.088","0.1029","","","","","","0.949","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112507","16.0735","0.0005","7.0772","0.0002","18.7585","0.0006","90","","113.351","0.001","90","","1959.1","0.1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H43 Cl O17 -","- C37 H43 Cl O17 -","- C74 H86 Cl2 O34 -","2","1","","Mascitti, Vincent; Thuma, Benjamin A.; Smith, Aaron C.; Robinson, Ralph P.; Brandt, Thomas; Kalgutkar, Amit S.; Maurer, Tristan S.; Samas, Brian; Sharma, Raman","On the importance of synthetic organic chemistry in drug discovery: reflections on the discovery of antidiabetic agent ertugliflozin","MedChemComm","2013","4","1","101","","10.1039/c2md20163a","","","1.54178","CuKα","","0.0537","0.0418","","","0.1062","0.1152","","","","","","1.036","","","","has coordinates,has disorder","180239","2020-10-21","18:00:00",""
"7112508","12.3996","0.0003","8.7715","0.0002","18.6699","0.0004","90","","104.088","0.001","90","","1969.52","0.08","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","1","","Schmid, Fabian; Jessen, Henning J.; Burch, Patrick; Gademann, Karl","Truncated militarinone fragments identified by total chemical synthesis induce neurite outgrowth","MedChemComm","2013","4","1","135","","10.1039/c2md20181j","","","0.71073","MoKα","","0.0841","0.043","","0.1019","0.0459","0.0438","","","","","","1.0758","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112509","7.2983","0.0002","9.2081","0.0003","12.3051","0.0005","107.988","0.002","96.327","0.002","107.403","0.001","731.59","0.05","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C32 H34 N2 O10 -","2","1","","Schmid, Fabian; Jessen, Henning J.; Burch, Patrick; Gademann, Karl","Truncated militarinone fragments identified by total chemical synthesis induce neurite outgrowth","MedChemComm","2013","4","1","135","","10.1039/c2md20181j","","","0.71073","MoKα","","0.0451","0.0406","","0.0587","0.0453","0.0422","","","","","","1.0968","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112510","11.3216","0.0005","7.0251","0.0003","18.4969","0.0008","90","","92.747","0.003","90","","1469.47","0.11","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O5 -","- C16 H17 N O5 -","- C64 H68 N4 O20 -","4","1","","Schmid, Fabian; Jessen, Henning J.; Burch, Patrick; Gademann, Karl","Truncated militarinone fragments identified by total chemical synthesis induce neurite outgrowth","MedChemComm","2013","4","1","135","","10.1039/c2md20181j","","","0.71073","MoKα","","0.1271","0.0517","","0.1295","0.0507","0.0466","","","","","","1.0906","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7112511","5.1885","0.0005","11.4587","0.001","21.469","0.002","75.373","0.005","86.058","0.005","83.124","0.004","1225.2","0.2","200","","","","","","","","","","Local laboratory at SBBG","5","P -1","-P 1","2","AZ12408627 acetic acid solvate, Analysis Report AZ SBBG: 2005-39-301, DGAT1 project","(trans-4-{4-[({5-[(2,4,5-trifluorophenyl)amino]-1,3,4-oxadiazol-2-yl} carbonyl)amino]phenyl}cyclohexyl)acetic acid","","- C25 H25 F3 N4 O6 -","- C25 H25 F3 N4 O6 -","- C50 H50 F6 N8 O12 -","2","1","","Plowright, Alleyn T.; Barton, Peter; Bennett, Stuart; Birch, Alan M.; Birtles, Susan; Buckett, Linda K.; Butlin, Roger J.; Davies, Robert D. M.; Ertan, Anne; Gutierrez, Pablo Morentin; Kemmitt, Paul D.; Leach, Andrew G.; Svensson, Per H.; Turnbull, Andrew V.; Waring, Michael J.","Design and synthesis of a novel series of cyclohexyloxy-pyridyl derivatives as inhibitors of diacylglycerol acyl transferase 1","MedChemComm","2013","4","1","151","","10.1039/c2md20187a","","","0.71073","MoKα","","0.1104","0.0525","","","0.1206","0.1412","","","","","","0.922","","","","has coordinates","180239","2020-10-21","18:00:00",""
"7112512","29.7773","0.0014","6.32","0.0003","23.2587","0.0011","90","","100.671","0.003","90","","4301.4","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(6-fluoro-5-(5-(2,4,5- trifluorophenylamino)-1,3,4-oxadiazole-2- carboxamido)pyridin-2-yloxy)cyclo- hexanecarboxylic acid","","- C21 H17 F4 N5 O5 -","- C21 H17 F4 N5 O5 -","- C168 H136 F32 N40 O40 -","8","1","","Plowright, Alleyn T.; Barton, Peter; Bennett, Stuart; Birch, Alan M.; Birtles, Susan; Buckett, Linda K.; Butlin, Roger J.; Davies, Robert D. M.; Ertan, Anne; Gutierrez, Pablo Morentin; Kemmitt, Paul D.; Leach, Andrew G.; Svensson, Per H.; Turnbull, Andrew V.; Waring, Michael J.","Design and synthesis of a novel series of cyclohexyloxy-pyridyl derivatives as inhibitors of diacylglycerol acyl transferase 1","MedChemComm","2013","4","1","151","","10.1039/c2md20187a","","","0.71073","MoKα","","0.0924","0.0429","","","0.1071","0.1372","","","","","","1.016","","","","has coordinates","208246","2020-10-21","18:00:00",""
"7112513","5.2885","0.0007","11.2227","0.0015","16.881","0.002","85.165","0.006","83.895","0.006","76.853","0.005","968.2","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","tetrahydrofuran-3-yl 4-(5-((3-cyanopyridin-4-yl) methoxy)pyrimidin-2-yl)piperazine-1-carboxylate","","- C20 H22 N6 O4 -","- C20 H22 N6 O4 -","- C40 H44 N12 O8 -","2","1","","Scott, James S.; Birch, Alan M.; Brocklehurst, Katy J.; Brown, Hayley S.; Goldberg, Kristin; Groombridge, Sam D.; Hudson, Julian A.; Leach, Andrew G.; MacFaul, Philip A.; McKerrecher, Darren; Poultney, Ruth; Schofield, Paul; Svensson, Per H.","Optimisation of aqueous solubility in a series of G protein coupled receptor 119 (GPR119) agonists","MedChemComm","2013","4","1","95","","10.1039/c2md20130e","","","0.71073","MoKα","","0.0742","0.0549","","","0.1402","0.1478","","","","","","1.066","","","","has coordinates","208161","2020-10-21","18:00:00",""
"7116512","37.896","0.006","12.929","0.002","12.973","0.002","90","","95.194","0.01","90","","6330.1","1.7","193","2","193","2","","","","","","","","8","C 1 2 1","C 2y","5","","","","- C43 H65 F24 N7 O P4 Pb2 S4 -","- C43 H65 F24 N7 O P4 Pb2 S4 -","- C172 H260 F96 N28 O4 P16 Pb8 S16 -","4","1","","Wang, Fan; Ni, Chun-Yan; Liu, Quan; Li, Fu-Ling; Shi, Jing; Li, Hong-Xi; Lang, Jian-Ping","[Pb(Tab)2(4,4'-bipy)](PF6)2: two-step ambient temperature quantitative solid-state synthesis, structure and dielectric properties","Chemical Communications (Cambridge, United Kingdom)","2013","49","81","9248","9250","10.1039/c3cc45066j","","","0.7107","MoKα","","0.1003","0.0962","","","0.2331","0.2359","","","","","","1.068","","","","has coordinates","210993","2020-10-21","18:00:00",""
"7152758","16.6672","0.0007","33.1447","0.0012","8.1871","0.0003","90","","90","","90","","4522.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C43 H48 Cl2 N2 O16 -","- C43 H48 Cl2 N2 O16 -","- C172 H192 Cl8 N8 O64 -","4","1","","Kleeblatt, Dennis; Siyo, Baraa; Hein, Martin; Iaroshenko, Viktor O.; Iqbal, Jamshed; Villinger, Alexander; Langer, Peter","Synthesis of N,N'-diglycosylated isoindigos.","Organic & biomolecular chemistry","2013","11","6","886","895","10.1039/c2ob25866h","","","0.71073","MoKα","","0.0821","0.0516","","","0.1196","0.1307","","","","","","1.067","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152759","10.399","0.003","11.235","0.003","13.089","0.003","107.753","0.019","101.4","0.02","110.87","0.02","1277.7","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H22 O7 S -","- C31 H22 O7 S -","- C62 H44 O14 S2 -","2","1","","Ahadi, Somayeh; Zolghadr, Mahdi; Khavasi, Hamid Reza; Bazgir, Ayoob","A diastereoselective synthesis of pyrano fused coumarins via organocatalytic three-component reaction.","Organic & biomolecular chemistry","2013","11","2","279","286","10.1039/c2ob26203g","","","0.71073","MoKα","","0.2709","0.1168","","","0.2262","0.2969","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152760","21.7506","0.0012","10.3408","0.0006","14.2419","0.0008","90","","124.719","0.001","90","","2632.9","0.3","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","4-cyclopropyl-3-phenyl-1H-isochromen-1-one","4-cyclopropyl-3-phenyl-1H-isochromen-1-one","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","x-ray","0.71073","MoKα","K-L~3~","0.0487","0.0389","","","0.1094","0.117","","","","","","1.036","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152761","13.3582","0.0007","14.6219","0.0008","7.6852","0.0004","90","","90.502","0.002","90","","1501.03","0.14","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-cyclopropyl-3-(3-trifluoromethylphenyl-1H-isochromen-1-one","4-cyclopropyl-3-(3-trifluoromethylphenyl-1H-isochromen-1-one","","- C19 H13 F3 O2 -","- C19 H13 F3 O2 -","- C76 H52 F12 O8 -","4","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","x-ray","0.71073","MoKα","K-L~3~","0.0881","0.0754","","","0.1969","0.2099","","","","","","1.086","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152762","8.5382","0.0007","9.1292","0.0008","35.608","0.003","87.43","0.002","86.668","0.002","75.652","0.002","2683.1","0.4","120","","120","","","","","","","","","3","P -1","-P 1","2","3-cyclopropyl-4-phenyl-1H-isochromen-1-one","3-cyclopropyl-4-phenyl-1H-isochromen-1-one","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","4","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","x-ray","0.71073","MoKα","K-L~3~","0.1498","0.0591","","","0.0987","0.1136","","","","","","0.931","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152763","8.6979","0.0003","16.6842","0.0005","10.4505","0.0003","90","","113.293","0.001","90","","1392.94","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-cyclopropyl-2-methyl-3-phenylisoquinolin-1(2H)-one","4-cyclopropyl-2-methyl-3-phenylisoquinolin-1(2H)-one","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","","0.71073","MoKα","","0.0558","0.046","","","0.1237","0.1353","","","","","","1.063","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152764","7.9056","0.0004","8.8734","0.0005","9.7298","0.0005","96.304","0.002","100.043","0.002","108.11","0.002","628.9","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","4-cyclopropyl-2-methyl-3-(n-propyl)-isoquinolin-1(2H)-one","4-cyclopropyl-2-methyl-3-(n-propyl)-isoquinolin-1(2H)-one","","- C16 H19 N O -","- C16 H19 N O -","- C32 H38 N2 O2 -","2","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","","0.71073","MoKα","","0.0885","0.0582","","","0.1463","0.1688","","","","","","0.98","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152765","12.849","0.0005","13.1603","0.0005","17.5483","0.0006","73.847","0.001","68.57","0.001","65.921","0.001","2492.57","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H76 Cl2 O7 P2 Pd -","- C46 H76 Cl2 O7 P2 Pd -","- C92 H152 Cl4 O14 P4 Pd2 -","2","1","","Li, Pengbin; Lü, Bo; Fu, Chunling; Ma, Shengming","Pd-catalyzed Suzuki coupling reaction of chloroalkylidene-β-lactones with LB-Phos as the ligand.","Organic & biomolecular chemistry","2013","11","1","98","109","10.1039/c2ob26365c","","","0.71073","MoKα","","0.0323","0.029","","","0.0839","0.0881","","","","","","1.058","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152766","9.3629","0.0006","16.608","0.0008","9.8929","0.0005","90","","115.25","0.007","90","","1391.36","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","2","","Li, Pengbin; Lü, Bo; Fu, Chunling; Ma, Shengming","Pd-catalyzed Suzuki coupling reaction of chloroalkylidene-β-lactones with LB-Phos as the ligand.","Organic & biomolecular chemistry","2013","11","1","98","109","10.1039/c2ob26365c","","","1.54184","CuKα","","0.088","0.0685","","","0.1807","0.2043","","","","","","1.045","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152767","4.9166","0.0006","13.1195","0.0013","42.105","0.004","90","","90","","90","","2715.9","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N6 O6 -","- C26 H36 N6 O6 -","- C104 H144 N24 O24 -","4","1","","Pehere, Ashok D.; Sumby, Christopher J.; Abell, Andrew D.","New cylindrical peptide assemblies defined by extended parallel β-sheets.","Organic & biomolecular chemistry","2013","11","3","425","429","10.1039/c2ob26637g","","","0.71073","MoKα","","0.1602","0.1039","","","0.2379","0.2792","","","","","","1.034","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152768","10.4429","0.0003","7.4627","0.0002","14.1231","0.0004","90","","93.253","0.002","90","","1098.87","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 -","- C26 H30 N2 -","- C52 H60 N4 -","2","1","","Ribelles, Pascual; Sridharan, Vellaisamy; Villacampa, Mercedes; Ramos, Ma Teresa; Menéndez, J Carlos","Diastereoselective, multicomponent access to trans-2-aryl-4-arylamino-1,2,3,4-tetrahydroquinolines via an AA'BC sequential four-component reaction and their application to 2-arylquinoline synthesis.","Organic & biomolecular chemistry","2013","11","4","569","579","10.1039/c2ob26754c","","","1.54178","CuKα","","0.0338","0.0321","","","0.0837","0.0855","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152769","15.4056","0.0004","6.8529","0.0002","15.8005","0.0004","90","","116.019","0.001","90","","1499.04","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 F N2 O5 -","- C9 H11 F N2 O5 -","- C54 H66 F6 N12 O30 -","6","3","","Erande, Namrata; Gunjal, Anita D.; Fernandes, Moneesha; Gonnade, Rajesh; Kumar, Vaijayanti A.","Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2'-5' linked oligonucleotides.","Organic & biomolecular chemistry","2013","11","5","746","757","10.1039/c2ob26762d","","","0.71073","MoKα","","0.0376","0.0342","","","0.0861","0.0882","","","","","","1.067","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152770","6.3007","0.0003","7.3372","0.0003","10.8989","0.0004","90","","92.277","0.002","90","","503.45","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 F N2 O5 -","- C9 H11 F N2 O5 -","- C18 H22 F2 N4 O10 -","2","1","","Erande, Namrata; Gunjal, Anita D.; Fernandes, Moneesha; Gonnade, Rajesh; Kumar, Vaijayanti A.","Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2'-5' linked oligonucleotides.","Organic & biomolecular chemistry","2013","11","5","746","757","10.1039/c2ob26762d","","","0.71073","MoKα","","0.0242","0.0239","","","0.0643","0.0645","","","","","","1.054","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152771","10.264","0.0002","10.754","0.0002","13.366","0.0003","67.311","0.001","70.995","0.001","82.495","0.001","1286.94","0.05","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H24 O2 -","- C14 H24 O2 -","- C56 H96 O8 -","4","2","","Lyall, Catherine L.; Uosis-Martin, Mario; Lowe, John P.; Mahon, Mary F.; Pantoş, G Dan; Lewis, Simon E.","Aliphatic C-H activation with aluminium trichloride-acetyl chloride: expanding the scope of the Baddeley reaction for the functionalisation of saturated hydrocarbons.","Organic & biomolecular chemistry","2013","11","9","1468","1475","10.1039/c2ob26765a","","","0.71073","MoKα","","0.0786","0.0488","","","0.1042","0.1193","","","","","","1.027","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152772","10.508","0.0006","11.686","0.0006","16.647","0.001","81.989","0.002","90.159","0.003","78.388","0.003","1981.81","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C80 H104 N16 O16 -","4","2","","Lyall, Catherine L.; Uosis-Martin, Mario; Lowe, John P.; Mahon, Mary F.; Pantoş, G Dan; Lewis, Simon E.","Aliphatic C-H activation with aluminium trichloride-acetyl chloride: expanding the scope of the Baddeley reaction for the functionalisation of saturated hydrocarbons.","Organic & biomolecular chemistry","2013","11","9","1468","1475","10.1039/c2ob26765a","","","0.71073","MoKα","","0.2588","0.1792","","","0.3768","0.4211","","","","","","1.118","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152773","13.196","0.005","13.001","0.004","13.423","0.005","90","","119.437","0.004","90","","2005.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cl O4 -","- C26 H19 Cl O4 -","- C104 H76 Cl4 O16 -","4","1","","Jian, Teng-Yue; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","N-heterocyclic carbene-catalyzed [4 + 2] cycloaddition of ketenes and 3-aroylcoumarins: highly enantioselective synthesis of dihydrocoumarin-fused dihydropyranones.","Organic & biomolecular chemistry","2013","11","1","158","163","10.1039/c2ob26804c","","","0.71073","MoKα","","0.1441","0.0935","","","0.1489","0.1657","","","","","","1.171","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152774","7.757","0.005","6.483","0.004","9.907","0.007","90","","92.808","0.012","90","","497.6","0.6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","gamma Phe","gamma_Phe","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C22 H30 N2 O4 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.1153","0.0704","","","0.1626","0.189","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152775","12.866","0.015","17.403","0.019","13.962","0.016","90","","107.22","0.03","90","","2986","6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","alpha-gamma peptide","alpha-gamma peptide","","- C51 H72 N8 O8 -","- C51 H72 N8 O8 -","- C102 H144 N16 O16 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.2345","0.0813","","","0.1855","0.2369","","","","","","0.733","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152776","9.354","0.01","12.179","0.013","13.95","0.015","68.89","0.03","85.74","0.03","71.36","0.03","1403","3","100","2","100","2","","","101.325","","","","synthesis","4","P 1","P 1","1","alpha-gamma peptide","alpha-gamma peptide","","- C48 H66 N8 O9 -","- C48 H66 N8 O9 -","- C48 H66 N8 O9 -","1","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.1364","0.0823","","","0.2342","0.2723","","","","","","0.771","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152777","11.218","0.017","14.58","0.02","15.75","0.02","90","","100.06","0.03","90","","2536","6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","alpha-gamma peptide","alpha-gamma peptide","","- C47 H64 N8 O10 -","- C47 H64 N8 O10 -","- C94 H128 N16 O20 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.2023","0.0824","","","0.1713","0.2352","","","","","","0.909","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152778","15.6275","0.0012","14.9143","0.0011","20.234","0.0015","90","","90","","90","","4716","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8.5 H11.5 Cl1.5 N5 O -","- C8.5 H11.5 Cl1.5 N5 O -","- C136 H184 Cl24 N80 O16 -","16","2","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.038","0.0353","","","0.0941","0.0967","","","","","","1.03","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152779","8.9487","0.0006","16.7979","0.0011","13.042","0.0008","90","","97.593","0.001","90","","1943.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N5 O1.5 -","- C8 H11 N5 O1.5 -","- C64 H88 N40 O12 -","8","2","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.0446","0.0423","","","0.1119","0.1138","","","","","","1.061","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152780","8.9942","0.0005","17.9689","0.0011","12.8636","0.0008","90","","99.884","0.001","90","","2048.1","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Ca0.5 Cl N10 O2 -","- C16 H22 Ca0.5 Cl N10 O2 -","- C64 H88 Ca2 Cl4 N40 O8 -","4","1","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.035","0.0304","","","0.0753","0.078","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152781","35.482","0.004","10.0503","0.0011","35.888","0.004","90","","108.396","0.001","90","","12144","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H69 B N20 Na O5 -","- C60 H69 B N20 Na O5 -","- C480 H552 B8 N160 Na8 O40 -","8","1","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.1615","0.1217","","","0.3335","0.3742","","","","","","1.069","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152782","6.6023","0.0012","6.6337","0.0012","37.831","0.006","94.504","0.015","90.801","0.014","113.293","0.017","1515.3","0.5","293","2","293.15","","","","","","","","","3","P 1","P 1","1","","","","- C32 H52 O8 -","- C32 H52 O8 -","- C64 H104 O16 -","2","2","","Guo, Xiurong; Xin, Guang; He, Shiliang; Wang, Yanyan; Huang, Baozhan; Zhao, Hang; Xing, Zhihua; Chen, Qingming; Huang, Wen; He, Yang","Novel organic gelators based on pentose derivatized diosgenyl saponins.","Organic & biomolecular chemistry","2013","11","5","821","827","10.1039/c2ob26898a","","","0.7107","MoKα","","0.0686","0.046","","","0.093","0.1051","","","","","","1.066","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152783","9.2201","0.0004","5.4993","0.0003","14.8584","0.0009","90","","93.833","0.003","90","","751.7","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H10 Br N O4 -","- C17 H10 Br N O4 -","- C34 H20 Br2 N2 O8 -","2","1","","Das, Utpal; Tsai, Yi-Ling; Lin, Wenwei","An efficient organocatalytic enantioselective synthesis of spironitrocyclopropanes.","Organic & biomolecular chemistry","2013","11","1","44","47","10.1039/c2ob26943k","","","0.71073","MoKα","","0.0451","0.0299","","","0.0564","0.0825","","","","","","0.964","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152784","8.8074","0.0011","9.7518","0.0015","9.7363","0.0014","90","","93.785","0.005","90","","834.4","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Br N O4 -","- C18 H12 Br N O4 -","- C36 H24 Br2 N2 O8 -","2","1","","Das, Utpal; Tsai, Yi-Ling; Lin, Wenwei","An efficient organocatalytic enantioselective synthesis of spironitrocyclopropanes.","Organic & biomolecular chemistry","2013","11","1","44","47","10.1039/c2ob26943k","","","0.71073","MoKα","","0.0523","0.035","","","0.067","0.0731","","","","","","1.003","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152785","9.5643","0.0002","9.7254","0.0002","17.4889","0.0004","89.925","0.001","80.209","0.001","62.908","0.001","1421.79","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C37 H27 Br N2 -","- C37 H27 Br N2 -","- C74 H54 Br2 N4 -","2","1","","Elie, Claude-Rosny; Hébert, Audrey; Charbonneau, Mathieu; Haiun, Adam; Schmitzer, Andreea R.","Benzimidazolium-based synthetic chloride and calcium transporters in bacterial membranes.","Organic & biomolecular chemistry","2013","11","6","923","928","10.1039/c2ob26966j","","","1.54178","CuKα","","0.0568","0.0525","","","0.1437","0.1526","","","","","","1.058","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152786","17.266","0.014","8.92","0.007","16.576","0.013","90","","97.576","0.01","90","","2531","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl2 I N3 O3 P -","- C22 H25 Cl2 I N3 O3 P -","- C88 H100 Cl8 I4 N12 O12 P4 -","4","1","","Qiu, Guanyinsheng; Lu, Yuan; Wu, Jie","A concise synthesis of 4-imino-3,4-dihydroquinazolin-2-ylphosphonates via a palladium-catalyzed reaction of carbodiimide, isocyanide, and phosphite.","Organic & biomolecular chemistry","2013","11","5","798","802","10.1039/c2ob26979a","","","0.71073","MoKα","","0.0736","0.0529","","","0.1384","0.1493","","","","","","0.951","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152787","23.116","0.004","12.7605","0.0019","21.907","0.003","90","","114.554","0.002","90","","5877.6","1.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 Br O3 P -","- C29 H36 Br O3 P -","- C232 H288 Br8 O24 P8 -","8","1","","Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei","A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.","Organic & biomolecular chemistry","2013","11","5","828","834","10.1039/c2ob26986d","","","0.71073","MoKα","","0.1238","0.0587","","","0.1414","0.1547","","","","","","0.886","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152788","7.8383","0.0003","10.9083","0.0004","12.0674","0.0006","112.907","0.002","101.682","0.002","94.195","0.003","917.43","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 Br O3 -","- C24 H13 Br O3 -","- C48 H26 Br2 O6 -","2","1","","Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei","A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.","Organic & biomolecular chemistry","2013","11","5","828","834","10.1039/c2ob26986d","","","0.71073","MoKα","","0.0917","0.0589","","","0.1655","0.1981","","","","","","1.111","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152789","9.4027","0.0015","13.097","0.002","24.592","0.004","90","","90","","90","","3028.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 O5 P S -","- C29 H49 O5 P S -","- C116 H196 O20 P4 S4 -","4","1","","Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei","A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.","Organic & biomolecular chemistry","2013","11","5","828","834","10.1039/c2ob26986d","","","0.71073","MoKα","","0.0928","0.0627","","","0.1554","0.1769","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152790","17.877","0.006","9.516","0.003","10.966","0.003","90","","91.469","0.005","90","","1864.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N5 O2 -","- C20 H16 Cl N5 O2 -","- C80 H64 Cl4 N20 O8 -","4","1","","Niu, Teng-Fei; Lv, Mei-Fang; Wang, Liang; Yi, Wen-Bin; Cai, Chun","Chemoselective preparation of 1,2,3-triazole-isoxazole bisfunctional derivatives and their application in peptidomimetic synthesis.","Organic & biomolecular chemistry","2013","11","6","1040","1048","10.1039/c2ob26990b","","","0.71073","MoKα","","0.0774","0.0582","","","0.1813","0.2089","","","","","","1.025","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152791","6.046","0.002","12.665","0.004","12.845","0.004","76.57","0.008","81.084","0.007","83.652","0.007","942.3","0.5","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H42 N2 O10 S2 -","- C38 H42 N2 O10 S2 -","- C38 H42 N2 O10 S2 -","1","1","","Ganesan, Muthupandian; Salunke, Rahul Vilas; Singh, Nem; Ramesh, Namakkal G.","Protecting group directed diversity during Mitsunobu cyclization of a carbohydrate derived diamino triol. Synthesis of novel bridged bicyclic and six-membered iminocyclitols.","Organic & biomolecular chemistry","2013","11","4","599","611","10.1039/c2ob27000e","","","0.71073","MoKα","","0.1519","0.0973","","","0.198","0.2299","","","","","","1.114","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152792","10.043","0.003","8.99","0.002","25.768","0.006","90","","96.651","0.005","90","","2310.8","1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C80 H96 N8 O24 S8 -","4","2","","Ganesan, Muthupandian; Salunke, Rahul Vilas; Singh, Nem; Ramesh, Namakkal G.","Protecting group directed diversity during Mitsunobu cyclization of a carbohydrate derived diamino triol. Synthesis of novel bridged bicyclic and six-membered iminocyclitols.","Organic & biomolecular chemistry","2013","11","4","599","611","10.1039/c2ob27000e","","","0.71073","MoKα","","0.1121","0.0846","","","0.2269","0.2399","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152793","8.5901","0.0008","13.7587","0.0013","9.4392","0.0009","90","","112.242","0.002","90","","1032.6","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl3 N O3 -","- C22 H20 Cl3 N O3 -","- C44 H40 Cl6 N2 O6 -","2","1","","Zhang, Xuefeng; Jiang, Xiaolong; Ding, Chunyong; Yao, Qizheng; Zhang, Ao","Unexpected N-glycosidation reaction of glycals with 1-amino-anthracene: structure revision and application to the synthesis of new analogues of marmycin A.","Organic & biomolecular chemistry","2013","11","8","1383","1389","10.1039/c2ob27020j","","","0.71073","MoKα","","0.0322","0.0315","","","0.0814","0.082","","","","","","1.052","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152794","30.156","0.007","8.795","0.002","11.162","0.003","90","","100.061","0.004","90","","2914.9","1.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0658","0.0492","","","0.1479","0.1572","","","","","","1.046","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152795","9.0702","0.0012","15.872","0.002","19.619","0.003","90","","90","","90","","2824.4","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C136 H104 F8 O16 -","8","1","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0669","0.0472","","","0.1367","0.1478","","","","","","1.091","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152796","11.8628","0.0012","5.9193","0.0006","12.0256","0.0012","90","","96.191","0.001","90","","839.51","0.15","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 I O3 -","- C19 H17 I O3 -","- C38 H34 I2 O6 -","2","1","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0245","0.0223","","","0.069","0.0836","","","","","","1.215","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152797","18.958","0.004","21.804","0.005","20.21","0.005","90","","91.004","0.004","90","","8353","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H94 N2 O29 -","- C76 H94 N2 O29 -","- C304 H376 N8 O116 -","4","1","","Chen, Lei; Li, Zhiming; Chen, Zhenxia; Hou, Jun-Li","Pillar[5]arenes with an introverted amino group: a hydrogen bonding tuning effect.","Organic & biomolecular chemistry","2013","11","2","248","251","10.1039/c2ob27044g","","","0.71073","MoKα","","0.2456","0.1409","","","0.369","0.4131","","","","","","1.076","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152798","8.0135","0.0007","15.0651","0.0013","22.7939","0.0019","90","","90.291","0.001","90","","2751.7","0.4","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 F3 N4 O2 -","- C14 H13 F3 N4 O2 -","- C112 H104 F24 N32 O16 -","8","2","","Kato, Jun-Ya; Aoyama, Hiroshi; Yokomatsu, Tsutomu","Development of a new cascade reaction for convergent synthesis of pyrazolo[1,5-a]quinoline derivatives under transition-metal-free conditions.","Organic & biomolecular chemistry","2013","11","7","1171","1178","10.1039/c2ob27050a","","","0.71073","MoKα","","0.0501","0.04","","","0.0967","0.1018","","","","","","1.034","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152799","15.501","0.003","15.08","0.003","11.907","0.003","90","","102.794","0.003","90","","2714.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C112 H104 Cl8 N16 O16 -","8","2","","Xin, Xiaoqing; Huang, Peng; Xiang, Dexuan; Zhang, Rui; Zhao, Fengyu; Zhang, Ning; Dong, Dewen","[5C + 1N] Annulation of 2,4-pentadienenitriles with hydroxylamine: a synthetic route to multi-substituted 2-aminopyridines.","Organic & biomolecular chemistry","2013","11","6","1001","1006","10.1039/c2ob27053f","","","0.71073","MoKα","","0.0858","0.0537","","","0.1249","0.1452","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152800","12.3417","0.0011","12.3417","0.0011","28.361","0.005","90","","90","","120","","3741.1","0.8","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C24 H31 N3 O4 S -","- C24 H31 N3 O4 S -","- C144 H186 N18 O24 S6 -","6","1","","Grygorenko, Oleksandr O.; Zhersh, Sergey; Oliinyk, Bohdan V.; Shishkin, Oleg V.; Tolmachev, Andrey A.","Conformational behaviour of peptides containing a 2-pyrrolidinemethanesulfonic acid (2PyMS) residue.","Organic & biomolecular chemistry","2013","11","6","975","983","10.1039/c2ob27058g","","","0.71073","MoKα","","0.1571","0.0533","","","0.0689","0.0857","","","","","","0.885","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152801","8.9964","0.0004","11.1739","0.0004","14.3314","0.0006","98.212","0.003","97.8","0.004","91.098","0.004","1411.61","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H36 N4 O5 S -","- C27 H36 N4 O5 S -","- C54 H72 N8 O10 S2 -","2","2","","Grygorenko, Oleksandr O.; Zhersh, Sergey; Oliinyk, Bohdan V.; Shishkin, Oleg V.; Tolmachev, Andrey A.","Conformational behaviour of peptides containing a 2-pyrrolidinemethanesulfonic acid (2PyMS) residue.","Organic & biomolecular chemistry","2013","11","6","975","983","10.1039/c2ob27058g","","","0.71073","MoKα","","0.1071","0.0533","","","0.1174","0.1384","","","","","","0.932","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152802","15.4735","0.0009","5.6","0.0003","16.5182","0.001","90","","117.181","0.003","90","","1273.26","0.13","296","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-1,2-diphenyl-1,2-bis(3-(trifluoromethyl)p","(E)-1,2-diphenyl-1,2-bis(3-(trifluoromethyl)phenylselanyl)ethene","","- C28 H18 F6 Se2 -","- C28 H18 F6 Se2 -","- C56 H36 F12 Se4 -","2","0.5","","Sartori, Glaubia; Neto, José S S; Pesarico, Ana Paula; Back, Davi F.; Nogueira, Cristina W.; Zeni, Gilson","Bis-vinyl selenides obtained via iron(iii) catalyzed addition of PhSeSePh to alkynes: synthesis and antinociceptive activity.","Organic & biomolecular chemistry","2013","11","7","1199","1208","10.1039/c2ob27064a","","","0.71073","MoKα","","0.106","0.0456","","","0.0884","0.1086","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152803","10.34","0.003","9.733","0.003","18.073","0.005","90","","106.331","0.005","90","","1745.5","0.9","296","2","296","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","2","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0431","0.0341","","","0.0804","0.0896","","","","","","0.985","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152804","10.153","0.003","10.273","0.003","16.191","0.005","90","","90","","90","","1688.7","0.9","200","2","200","2","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Boc-dgI-OEt","(4S,5S,E)-ethyl 4-(tert-butoxycarbonylamino)-5-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0455","0.0378","","","0.0912","0.0961","","","","","","1.023","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152805","11.306","0.006","31.857","0.016","5.353","0.003","90","","90","","90","","1928","1.8","100","2","100","2","","","101.325","","","","synthesis","4","P 21 21 2","P 2 2ab","18","","Boc-gL(b-CH2NO2)-COOEt","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C64 H120 N8 O24 -","4","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.1599","0.0931","","","0.232","0.266","","","","","","1.168","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152806","11.226","0.008","7.133","0.005","12.018","0.009","90","","110.948","0.015","90","","898.7","1.1","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","","Boc-gI(b-CH2NO2)-COOH","","- C14 H26 N2 O6 -","- C14 H26 N2 O6 -","- C28 H52 N4 O12 -","2","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0614","0.0441","","","0.1012","0.1106","","","","","","1.037","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152807","13.503","0.009","13.503","0.009","14.005","0.01","90","","90","","120","","2211","3","100","2","100","2","","","101.325","","","","Synthesis","4","P 32","P 32","145","","Boc-gV(b-CH2NO2)-gL(b-CH2NO2)-COOEt","","- C24 H44 N4 O9 -","- C24 H44 N4 O9 -","- C72 H132 N12 O27 -","3","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.2453","0.0865","","","0.2072","0.2952","","","","","","0.873","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152808","6.7348","0.0018","28.345","0.007","9.559","0.003","90","","97.64","0.007","90","","1808.6","0.9","298","1","298","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","1","","Mancebo-Aracil, Juan; Nájera, Carmen; Sansano, José M","Microwave-assisted multicomponent diastereoselective 1,3-dipolar cycloaddition of ethyl glyoxylate derived azomethine ylides.","Organic & biomolecular chemistry","2013","11","4","662","675","10.1039/c2ob27072b","","","0.71073","MoKα","","0.201","0.0807","","","0.1768","0.2188","","","","","","1.08","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152809","8.258","0.003","11.699","0.004","23.879","0.007","90","","90","","90","","2307","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br Cl N2 O2 -","- C27 H22 Br Cl N2 O2 -","- C108 H88 Br4 Cl4 N8 O8 -","4","1","","Liang, Jinyan; Chen, Qiao; Liu, Luping; Jiang, Xianxing; Wang, Rui","An organocatalytic asymmetric double Michael cascade reaction of unsaturated ketones and unsaturated pyrazolones: highly efficient synthesis of spiropyrazolone derivatives.","Organic & biomolecular chemistry","2013","11","9","1441","1445","10.1039/c2ob27095a","","","0.71073","MoKα","","0.0904","0.0407","","","0.073","0.0868","","","","","","0.985","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152810","23.896","0.007","23.896","0.007","30.268","0.009","90","","90","","120","","14968","8","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C112 H102 Cl4 N6 O6 S6 -","- C112 H102 Cl4 N6 O6 S6 -","- C672 H612 Cl24 N36 O36 S36 -","6","0.333333","","Sharma, Sanyog; Hundal, Maninder Singh; Hundal, Geeta","Dual channel chromo/fluorogenic chemosensors for cyanide and fluoride ions‒an example of in situ acid catalysis of the Strecker reaction for cyanide ion chemodosimetry.","Organic & biomolecular chemistry","2013","11","4","654","661","10.1039/c2ob27096j","","","0.71069","MoKα","","0.126","0.0683","","","0.2042","0.2613","","","","","","0.996","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152811","15.939","0.003","5.4586","0.0009","16.28","0.003","90","","96.807","0.003","90","","1406.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C52 H68 N12 O12 S4 -","4","1","","García-Valverde, María; Marcaccini, Stefano; González-Ortega, Alfonso; Rodríguez, Francisco Javier; Rojo, Josefa; Torroba, Tomás","Complementary regioselectivity in the synthesis of iminohydantoins: remarkable effect of amide substitution on the cyclization.","Organic & biomolecular chemistry","2013","11","5","721","725","10.1039/c2ob27098f","","","0.71073","MoKα","","0.0663","0.0475","","","0.1129","0.128","","","","","","1.049","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152812","13.1137","0.0014","6.2475","0.0007","14.2342","0.0016","90","","113.906","0.002","90","","1066.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N3 O3 S -","- C23 H27 N3 O3 S -","- C46 H54 N6 O6 S2 -","2","1","","García-Valverde, María; Marcaccini, Stefano; González-Ortega, Alfonso; Rodríguez, Francisco Javier; Rojo, Josefa; Torroba, Tomás","Complementary regioselectivity in the synthesis of iminohydantoins: remarkable effect of amide substitution on the cyclization.","Organic & biomolecular chemistry","2013","11","5","721","725","10.1039/c2ob27098f","","","0.71073","MoKα","","0.0774","0.0722","","","0.1506","0.1536","","","","","","1.008","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152813","8.6128","0.0011","9.9153","0.0012","12.1573","0.0016","104.434","0.002","100.523","0.003","108.276","0.002","915.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Br2 N2 O5 -","- C17 H16 Br2 N2 O5 -","- C34 H32 Br4 N4 O10 -","2","1","","Li, Wenjun; Huang, Jiayao; Wang, Jian","Organocatalytic conjugate addition promoted by multi-hydrogen-bond cooperation: access to chiral 2-amino-3-nitrile-chromenes.","Organic & biomolecular chemistry","2013","11","3","400","406","10.1039/c2ob27102h","","","0.71073","MoKα","","0.0345","0.0278","","","0.0711","0.0844","","","","","","1.113","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152814","6.248","0.002","14.246","0.005","32.517","0.01","90","","90","","90","","2894.3","1.6","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O8 -","- C32 H40 O8 -","- C128 H160 O32 -","4","1","","Song, Qiu-Yan; Jiang, Kan; Zhao, Qian-Qian; Gao, Kun; Jin, Xiao-Jie; Yao, Xiao-Jun","Eleven new highly oxygenated triterpenoids from the leaves and stems of Schisandra chinensis.","Organic & biomolecular chemistry","2013","11","7","1251","1258","10.1039/c2ob27115j","","","0.71073","MoKα","","0.0851","0.048","","","0.0923","0.1054","","","","","","0.999","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152815","9.592","0.002","10.08","0.003","11.857","0.003","89.893","0.01","76.026","0.007","80.083","0.008","1094.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 Cl N2 O3 -","- C28 H19 Cl N2 O3 -","- C56 H38 Cl2 N4 O6 -","2","1","","Wen, Li-Rong; Sun, Qi-Chang; Zhang, Hai-Liang; Li, Ming","A new rapid multicomponent domino heteroannulation of heterocyclic ketene aminals: solvent-free regioselective synthesis of functionalized benzo[g]imidazo[1,2-a]quinolinediones.","Organic & biomolecular chemistry","2013","11","5","781","786","10.1039/c2ob27137k","","","0.71073","MoKα","","0.0652","0.0587","","","0.123","0.1266","","","","","","1.162","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152816","17.9253","0.0007","5.36599","0.00019","15.7715","0.0005","90","","98.798","0.003","90","","1499.16","0.09","123.01","0.1","123.01","0.1","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Amslinger, Sabine; Al-Rifai, Nafisah; Winter, Katrin; Wörmann, Kilian; Scholz, Rebekka; Baumeister, Paul; Wild, Martin","Reactivity assessment of chalcones by a kinetic thiol assay.","Organic & biomolecular chemistry","2013","11","4","549","554","10.1039/c2ob27163j","","x-ray","1.54184","CuKα","","0.0402","0.0355","","","0.0916","0.0961","","","","","","1.034","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152817","13.853","0.007","9.965","0.005","15.005","0.008","90","","90.891","0.01","90","","2071.1","1.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Kand, Dnyaneshwar; Kalle, Arunasree Marasanapalli; Talukdar, Pinaki","Chromenoquinoline-based thiol probes: a study on the quencher position for controlling fluorescent Off-On characteristics.","Organic & biomolecular chemistry","2013","11","10","1691","1701","10.1039/c2ob27192c","","","0.71073","MoKα","","0.1228","0.0495","","","0.109","0.1427","","","","","","0.922","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152818","12.72","0.007","18.426","0.01","9.036","0.005","90","","122.238","0.009","90","","1791.4","1.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H14 N2 O3 -","- C24 H14 N2 O3 -","- C96 H56 N8 O12 -","4","1","","Kand, Dnyaneshwar; Kalle, Arunasree Marasanapalli; Talukdar, Pinaki","Chromenoquinoline-based thiol probes: a study on the quencher position for controlling fluorescent Off-On characteristics.","Organic & biomolecular chemistry","2013","11","10","1691","1701","10.1039/c2ob27192c","","","0.71073","MoKα","","0.0686","0.0453","","","0.1007","0.1144","","","","","","0.991","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152819","11.0598","0.0008","9.6504","0.0006","12.3144","0.001","90","","112.315","0.004","90","","1215.9","0.16","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","1","","Astolfi, Paola; Charles, Laurence; Gigmes, Didier; Greci, Lucedio; Rizzoli, Corrado; Sorana, Federico; Stipa, Pierluigi","Reactions of nitric oxide and nitrogen dioxide with coenzyme Q: involvement of the isoprenic chain.","Organic & biomolecular chemistry","2013","11","8","1399","1406","10.1039/c2ob27198b","","","1.54178","CuKα","","0.0458","0.0381","","","0.111","0.1224","","","","","","1.081","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152820","19.4982","0.0004","13.338","0.0003","43.2785","0.0011","90","","95.832","0.002","90","","11197.1","0.4","100","","100","","","","","","","","synthesized","7","C 1 c 1","C -2yc","9","","","","- C121 H144.4 Cl2 F6 N9 O10.7 P -","- C121 H144.4 Cl2 F6 N9 O10.7 P -","- C484 H577.6 Cl8 F24 N36 O42.8 P4 -","4","1","","White, Nicholas G.; Beer, Paul D.","A rotaxane host system containing integrated triazole C-H hydrogen bond donors for anion recognition.","Organic & biomolecular chemistry","2013","11","8","1326","1333","10.1039/c2ob27229f","","","0.6889","synchrotron","","0.1293","0.1264","","0.2919","0.2908","0.2919","","","","","","1.0601","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152821","11.7586","0.0005","23.4082","0.0013","23.5471","0.0012","93.401","0.004","98.295","0.004","92.975","0.004","6390.2","0.6","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C116 H129 Cl N10 O10 -","- C116 H129 Cl N10 O10 -","- C232 H258 Cl2 N20 O20 -","2","1","","White, Nicholas G.; Beer, Paul D.","A rotaxane host system containing integrated triazole C-H hydrogen bond donors for anion recognition.","Organic & biomolecular chemistry","2013","11","8","1326","1333","10.1039/c2ob27229f","","","1.1949","synchrotron","","0.1102","0.08","","0.264","0.1947","0.264","","","","","","1.0041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152822","9.098","0.003","15.524","0.006","17.674","0.006","90","","90","","90","","2496.2","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Br N2 O3 -","- C28 H21 Br N2 O3 -","- C112 H84 Br4 N8 O12 -","4","1","","Qin, Tian-You; Liao, Wei-Wei; Zhang, Yan-Jing; Zhang, Sean Xiao-An","Asymmetric organocatalytic allylic alkylation of Reissert compounds: a facile access to chiral 1,1-disubstituted 1,2-dihydroisoquinolines.","Organic & biomolecular chemistry","2013","11","6","984","990","10.1039/c2ob27269e","","","0.71073","MoKα","","0.0799","0.0415","","","0.0942","0.1073","","","","","","1.006","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152823","9.801","0.003","10.969","0.003","14.07","0.004","90","","90","","90","","1512.6","0.8","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C64 H48 Br4 N4 O12 -","4","1","","De Fusco, Claudia; Meninno, Sara; Tedesco, Consiglia; Lattanzi, Alessandra","Enantioselective α-hydroxylation of β-ketoamides.","Organic & biomolecular chemistry","2013","11","6","896","899","10.1039/c2ob27283k","","","0.71073","MoKα","","0.1224","0.0789","","","0.1777","0.1993","","","","","","1.075","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152824","6.116","0.006","11.264","0.007","13.284","0.008","111.01","0.07","92.49","0.07","101.66","0.08","829.9","1.2","294","2","294","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H19 N2 O5 P -","- C16 H19 N2 O5 P -","- C32 H38 N4 O10 P2 -","2","1","","Arróniz, Carlos; Molina, Juan; Abás, Sonia; Molins, Elies; Campanera, Josep M.; Luque, F. Javier; Escolano, Carmen","First diastereoselective [3 + 2] cycloaddition reaction of diethyl isocyanomethylphosphonate and maleimides.","Organic & biomolecular chemistry","2013","11","10","1640","1649","10.1039/c3ob26766k","","x-ray","0.71073","MoKα","","0.1876","0.0659","","","0.1378","0.1696","","","","","","0.898","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152825","14.959","0.002","14.959","0.002","14.02","0.003","90","","90","","120","","2717","0.8","113","2","113","2","","","","","","","","4","P 61","P 61","169","","","","- C21 H17 Br O4 -","- C21 H17 Br O4 -","- C126 H102 Br6 O24 -","6","1","","Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei","Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones.","Organic & biomolecular chemistry","2013","11","9","1451","1455","10.1039/c3ob27288e","","","0.71073","MoKα","","0.0383","0.0337","","","0.0636","0.0657","","","","","","1.007","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152826","9.254","0.004","10.49","0.005","11.773","0.005","90.722","0.006","91.612","0.006","112.65","0.009","1054","0.8","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 Cl O6 -","- C22 H25 Cl O6 -","- C44 H50 Cl2 O12 -","2","1","","Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei","Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones.","Organic & biomolecular chemistry","2013","11","9","1451","1455","10.1039/c3ob27288e","","","0.71073","MoKα","","0.0516","0.0333","","","0.0763","0.0806","","","","","","0.986","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152827","11.757","0.004","5.943","0.002","25.7","0.008","90","","102.394","0.006","90","","1753.9","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F O4 -","- C21 H17 F O4 -","- C84 H68 F4 O16 -","4","1","","Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei","Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones.","Organic & biomolecular chemistry","2013","11","9","1451","1455","10.1039/c3ob27288e","","","1.54187","CuKα","","0.0852","0.0816","","","0.178","0.1858","","","","","","1.164","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152828","7.0809","0.0007","7.6178","0.0008","21.146","0.002","90","","90","","90","","1140.6","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C48 H44 N12 O4 S4 -","4","1","","Xie, Zengyang; Zhu, Xiaojun; Guan, Yangfan; Zhu, Dunru; Hu, Hongwen; Lin, Chen; Pan, Yi; Jiang, Juli; Wang, Leyong","Cu-catalyzed direct C-H bond functionalization: a regioselective protocol to 5-aryl thiazolo[3,2-b]-1,2,4-triazoles.","Organic & biomolecular chemistry","2013","11","8","1390","1398","10.1039/c2ob27326h","","","0.71073","MoKα","","0.0486","0.0349","","","0.0752","0.0818","","","","","","1.038","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152829","6.3583","0.001","11.9472","0.0018","19.211","0.003","90","","91.318","0.002","90","","1459","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br Cl0 N3 S -","- C16 H10 Br N3 S -","- C64 H40 Br4 N12 S4 -","4","1","","Xie, Zengyang; Zhu, Xiaojun; Guan, Yangfan; Zhu, Dunru; Hu, Hongwen; Lin, Chen; Pan, Yi; Jiang, Juli; Wang, Leyong","Cu-catalyzed direct C-H bond functionalization: a regioselective protocol to 5-aryl thiazolo[3,2-b]-1,2,4-triazoles.","Organic & biomolecular chemistry","2013","11","8","1390","1398","10.1039/c2ob27326h","","","0.71073","MoKα","","0.0539","0.0357","","","0.0857","0.0917","","","","","","1.032","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152830","12.297","0.003","5.9174","0.0009","14.699","0.003","90","","105.678","0.004","90","","1029.8","0.4","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O2 -","- C22 H24 Br N O2 -","- C44 H48 Br2 N2 O4 -","2","1","","Lee, Myungmo; Lee, Young-Ju; Park, Eunyoung; Park, Yohan; Ha, Min Woo; Hong, Suckchang; Lee, Yeon-Ju; Kim, Taek-Soo; Kim, Mi-Hyun; Park, Hyeung-Geun","Highly enantioselective synthesis of 5-phenyl-2-alkylprolines using phase-transfer catalytic alkylation.","Organic & biomolecular chemistry","2013","11","12","2039","2046","10.1039/c3ob27089k","","","0.71075","MoKα","","","0.0405","","","","0.1218","","","","","","0.994","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152831","14.298","0.001","5.6536","0.0005","17.4704","0.0014","90","","111.057","0.004","90","","1317.92","0.19","120","0.1","120","0.1","","","","","","","synthesis as described","3","P 1 2/n 1","-P 2yac","13","2004uv01cj01","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","1.5418","CuKα","","0.0502","0.0446","","","0.1312","0.1363","","","","","","1.102","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152832","8.0469","0.0007","20.6366","0.0015","32.852","0.003","90","","90","","90","","5455.4","0.8","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","S-FBPOHMe","","","- C16 H16 O3 -","- C16 H16 O3 -","- C256 H256 O48 -","16","4","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","0.71073","MoKα","","0.0744","0.0436","","","0.0887","0.1024","","","","","","1.034","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152833","10.6549","0.0004","12.0512","0.0005","17.2822","0.0005","90","","90","","90","","2219.11","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","S-FBPOH/R-Trp","","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C108 H104 N8 O16 -","4","1","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","0.71073","MoKα","","0.0613","0.0495","","","0.0996","0.1059","","","","","","1.089","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152834","11.2094","0.0016","14.479","0.002","16.455","0.002","80.674","0.003","86.095","0.003","75.836","0.003","2554.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29.25 H31 N4 O2.25 -","- C29.25 H30 N4 O2.25 -","- C117 H120 N16 O9 -","4","2","","Li, Honglin; Guan, Hong; Duan, Xinrui; Hu, Jun; Wang, Guiren; Wang, Qian","An acid catalyzed reversible ring-opening/ring-closure reaction involving a cyano-rhodamine spirolactam.","Organic & biomolecular chemistry","2013","11","11","1805","1809","10.1039/c3ob27356c","","","0.71073","MoKα","","0.0847","0.0459","","","0.0744","0.0843","","","","","","0.855","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152835","5.7374","0.0005","15.8715","0.0013","15.0804","0.0013","90","","96.019","0.001","90","","1365.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Gautam, Lekh Nath; Wang, Qiaoyi; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Stereoselective synthesis of N-heterocycles through amine addition to nitroalkenes.","Organic & biomolecular chemistry","2013","11","12","1917","1920","10.1039/c3ob27452g","","","0.71073","MoKα","","0.0653","0.0587","","","0.1664","0.1734","","","","","","1.056","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152836","20.6041","0.0014","10.2213","0.0006","6.8832","0.0005","90","","90.37","0.007","90","","1449.58","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 I N4 O -","- C13 H17 I N4 O -","- C52 H68 I4 N16 O4 -","4","1","","Lebraud, Honorine; Cano, Celine; Carbain, Benoit; Hardcastle, Ian R.; Harrington, Ross W.; Griffin, Roger J.; Golding, Bernard T.","Trifluoroethanol solvent facilitates selective N-7 methylation of purines.","Organic & biomolecular chemistry","2013","11","11","1874","1878","10.1039/c3ob27473j","","","0.71073","MoKα","","0.05","0.0428","","","0.1069","0.1121","","","","","","1.065","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152837","18.4983","0.0019","9.7453","0.001","14.3824","0.0015","90","","117.709","0.002","90","","2295.4","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H25 Br N2 O4 -","- C24 H25 Br N2 O4 -","- C96 H100 Br4 N8 O16 -","4","1","","Hu, Fang-Le; Wei, Yin; Shi, Min; Pindi, Suresh; Li, Guigen","Asymmetric catalytic aza-Morita-Baylis-Hillman reaction for the synthesis of 3-substituted-3-aminooxindoles with chiral quaternary carbon centers.","Organic & biomolecular chemistry","2013","11","12","1921","1924","10.1039/c3ob27495k","","","0.71073","MoKα","","0.0407","0.0353","","","0.0785","0.0806","","","","","","0.97","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152838","6.69","0.002","7.08","0.002","20.692","0.006","90","","95.955","0.005","90","","974.8","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O8 -","- C22 H22 O8 -","- C44 H44 O16 -","2","1","","Wang, Zhaofeng; Zhao, Kun; Fu, Junkai; Zhang, Junlin; Yin, Weiyu; Tang, Yefeng","Organocatalytic 1,4-conjugate addition of ascorbic acid to α,β-unsaturated aldehydes: bio-inspired total syntheses of leucodrin, leudrin and proposed structure of dilaspirolactone.","Organic & biomolecular chemistry","2013","11","13","2093","2097","10.1039/c3ob00046j","","","0.71073","MoKα","","0.0498","0.0471","","","0.0973","0.0992","","","","","","1.119","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152839","6.1123","0.0004","17.974","0.0012","11.7487","0.0008","90","","96.038","0.001","90","","1283.58","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Zhang, Jinzhu; Wu, Jing; Yin, Zhiwei; Zeng, Haisu; Khanna, Kunal; Hu, Chunhua; Zheng, Shengping","An expedient stereoselective and chemoselective synthesis of bicyclic oxazolidinones from quinols and isocyanates.","Organic & biomolecular chemistry","2013","11","18","2939","2942","10.1039/c3ob00047h","","","0.71073","MoKα","","0.0483","0.0424","","","0.1124","0.1176","","","","","","1.042","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152840","11.3435","0.001","5.9481","0.0005","20.6935","0.0018","90","","103.511","0.001","90","","1357.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C60 H56 Br4 N4 O12 -","4","1","","Zhang, Jinzhu; Wu, Jing; Yin, Zhiwei; Zeng, Haisu; Khanna, Kunal; Hu, Chunhua; Zheng, Shengping","An expedient stereoselective and chemoselective synthesis of bicyclic oxazolidinones from quinols and isocyanates.","Organic & biomolecular chemistry","2013","11","18","2939","2942","10.1039/c3ob00047h","","","0.71073","MoKα","","0.0338","0.0248","","","0.0532","0.0564","","","","","","1.029","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152841","14.8275","0.0013","7.8956","0.0007","11.8515","0.0011","90","","94.993","0.001","90","","1382.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Zhang, Jinzhu; Wu, Jing; Yin, Zhiwei; Zeng, Haisu; Khanna, Kunal; Hu, Chunhua; Zheng, Shengping","An expedient stereoselective and chemoselective synthesis of bicyclic oxazolidinones from quinols and isocyanates.","Organic & biomolecular chemistry","2013","11","18","2939","2942","10.1039/c3ob00047h","","","0.71073","MoKα","","0.0409","0.0354","","","0.0897","0.0945","","","","","","1.054","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152842","8.517","0.006","10.598","0.007","16.662","0.011","90","","94.57","0.007","90","","1499.2","1.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Zhang, Jian-Jian; Yan, Chang-Song; Peng, Yu; Luo, Zhen-Biao; Xu, Xiao-Bo; Wang, Ya-Wen","Total synthesis of (±)-sacidumlignans D and A through Ueno-Stork radical cyclization reaction.","Organic & biomolecular chemistry","2013","11","15","2498","2513","10.1039/c3ob00053b","","","0.71073","MoKα","","0.0985","0.0452","","","0.1041","0.1286","","","","","","1.035","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152843","12.3947","0.0007","8.5143","0.0004","21.6771","0.001","90","","104.571","0.006","90","","2214.1","0.2","294.5","0.14","294.5","0.14","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","","Zhang, Jian-Jian; Yan, Chang-Song; Peng, Yu; Luo, Zhen-Biao; Xu, Xiao-Bo; Wang, Ya-Wen","Total synthesis of (±)-sacidumlignans D and A through Ueno-Stork radical cyclization reaction.","Organic & biomolecular chemistry","2013","11","15","2498","2513","10.1039/c3ob00053b","","","0.7107","MoKα","","0.1775","0.0973","","","0.2672","0.3319","","","","","","0.986","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152844","12.701","0.009","13.483","0.01","24.743","0.018","90","","95.229","0.006","90","","4220","5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 O7 -","- C22 H28 O7 -","- C176 H224 O56 -","8","1","","Zhang, Jian-Jian; Yan, Chang-Song; Peng, Yu; Luo, Zhen-Biao; Xu, Xiao-Bo; Wang, Ya-Wen","Total synthesis of (±)-sacidumlignans D and A through Ueno-Stork radical cyclization reaction.","Organic & biomolecular chemistry","2013","11","15","2498","2513","10.1039/c3ob00053b","","","0.71073","MoKα","","0.0822","0.0499","","","0.1482","0.1754","","","","","","1.1","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152845","8.376","0.002","13.152","0.003","11.24","0.003","90","","104.024","0.004","90","","1201.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-Methylphenylimino)-1,3-thiaselenane","","- C11 H13 N S Se -","- C11 H13 N S Se -","- C44 H52 N4 S4 Se4 -","4","1","","Toyoda, Yosuke; Ninomiya, Masayuki; Ebihara, Masahiro; Koketsu, Mamoru","The Staudinger reaction with 2-imino-1,3-thiaselenanes toward the synthesis of C4 spiro-β-lactams.","Organic & biomolecular chemistry","2013","11","16","2652","2659","10.1039/c3ob00073g","","","0.71075","MoKα","","0.0539","0.0372","","","0.09","0.0967","","","","","","0.882","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152846","12.348","0.003","17.281","0.004","14.35","0.004","90","","100.9","0.004","90","","3006.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-5-selena-9-thia-1-(4-tolyl)-1-azaspiro[3.5]nonan-2-one","","- C14 H17 N O2 S Se -","- C14 H17 N O2 S Se -","- C112 H136 N8 O16 S8 Se8 -","8","2","","Toyoda, Yosuke; Ninomiya, Masayuki; Ebihara, Masahiro; Koketsu, Mamoru","The Staudinger reaction with 2-imino-1,3-thiaselenanes toward the synthesis of C4 spiro-β-lactams.","Organic & biomolecular chemistry","2013","11","16","2652","2659","10.1039/c3ob00073g","","","0.71075","MoKα","","0.0736","0.0576","","","0.1553","0.1667","","","","","","1.068","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152847","12.283","0.005","5.835","0.002","19.052","0.008","90","","91.933","0.006","90","","1364.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Methoxy-N-phenyl-2-(1,3-thiaselenan-2-ylidene)acetamide","","- C13 H15 N O2 S Se -","- C13 H15 N O2 S Se -","- C52 H60 N4 O8 S4 Se4 -","4","1","","Toyoda, Yosuke; Ninomiya, Masayuki; Ebihara, Masahiro; Koketsu, Mamoru","The Staudinger reaction with 2-imino-1,3-thiaselenanes toward the synthesis of C4 spiro-β-lactams.","Organic & biomolecular chemistry","2013","11","16","2652","2659","10.1039/c3ob00073g","","","0.71075","MoKα","","0.1271","0.0697","","","0.1822","0.2658","","","","","","0.888","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152848","13.3763","0.0002","18.3674","0.0002","10.6707","0.0001","90","","98.939","0.001","90","","2589.82","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 O4 -","- C33 H28 O4 -","- C132 H112 O16 -","4","1","","Selvi, Thangavel; Srinivasan, Kannupal","Indium triflate-catalysed Diels-Alder reactions of isochromenylium cations with enones.","Organic & biomolecular chemistry","2013","11","13","2162","2167","10.1039/c3ob26284g","","","0.71073","MoKα","","0.0513","0.0419","","","0.1112","0.1199","","","","","","1.031","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152849","9.862","0.002","10.08","0.002","27.249","0.006","90","","90","","90","","2708.8","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-isopropyl-5-methylcyclohexyl-4-(tert-butoxycarbonylamino)-2-methyl-5-phenylpentanoate","2-isopropyl-5-methylcyclohexyl-4-(tert-butoxycarbonylamino)-2-methyl-5-phenylpentanoate","","- C27 H43 N O4 -","- C27 H43 N O4 -","- C108 H172 N4 O16 -","4","1","","Shankar, Sreejith P.; Jagodzinska, Monika; Malpezzi, Luciana; Lazzari, Paolo; Manca, Ilaria; Greig, Iain R.; Sani, Monica; Zanda, Matteo","Synthesis and structure-activity relationship studies of novel tubulysin U analogues - effect on cytotoxicity of structural variations in the tubuvaline fragment.","Organic & biomolecular chemistry","2013","11","14","2273","2287","10.1039/c3ob27111k","","","1.54179","CuKα","","0.0591","0.0477","","","0.1207","0.1301","","","","","","1.072","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152850","12.756","0.005","15.696","0.005","10.018","0.005","90","0.005","98.51","0.005","90","0.005","1983.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3-(tert-butoxycarbonylamino)-4-methylpentanoyl) thiazole-4-carboxylate","","- C17 H28 N2 O5 S -","- C17 H28 N2 O5 S -","- C68 H112 N8 O20 S4 -","4","1","","Shankar, Sreejith P.; Jagodzinska, Monika; Malpezzi, Luciana; Lazzari, Paolo; Manca, Ilaria; Greig, Iain R.; Sani, Monica; Zanda, Matteo","Synthesis and structure-activity relationship studies of novel tubulysin U analogues - effect on cytotoxicity of structural variations in the tubuvaline fragment.","Organic & biomolecular chemistry","2013","11","14","2273","2287","10.1039/c3ob27111k","","","1.54179","CuKα","","0.0768","0.0552","","","0.1423","0.1584","","","","","","1.057","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152851","14.698","0.002","14.698","0.001","15.598","0.003","90","","90","","90","","3369.7","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 F6 N3 O8 -","- C29 H39 F6 N3 O8 -","- C116 H156 F24 N12 O32 -","4","1","","Bellucci, Maria Cristina; Terraneo, Giancarlo; Volonterio, Alessandro","Multi-component synthesis of peptide-sugar conjugates.","Organic & biomolecular chemistry","2013","11","15","2421","2444","10.1039/c3ob27176e","","","0.71073","MoKα","","0.0862","0.0438","","","0.1157","0.132","","","","","","0.956","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152852","11.13","0.001","17.499","0.001","14.051","0.001","90","","99.9","0.003","90","","2695.9","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H35 F6 N3 O4 -","- C21 H35 F6 N3 O4 -","- C84 H140 F24 N12 O16 -","4","2","","Bellucci, Maria Cristina; Terraneo, Giancarlo; Volonterio, Alessandro","Multi-component synthesis of peptide-sugar conjugates.","Organic & biomolecular chemistry","2013","11","15","2421","2444","10.1039/c3ob27176e","","","0.71073","MoKα","","0.1055","0.0499","","","0.0915","0.1081","","","","","","1.006","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152853","7.192","0.003","14.069","0.004","9.2117","0.0016","90","","102.365","0.019","90","","910.5","0.5","123","1","123","1","","","","","","","Alan Spivey","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","0.71069","MoKα","","0.0517","0.0413","","","0.1134","0.1203","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152854","6.2151","0.0002","16.8252","0.0005","9.7311","0.0004","90","","90.176","0.001","90","","1017.58","0.06","120","1","120","1","","","","","","","","4","P 1 21 1","P 2yb","4","03csf003","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","0.71073","MoKα","","0.0761","0.0518","","","0.1087","0.1216","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152855","10.6749","0.0008","11.6338","0.0009","17.366","0.0011","108.132","0.003","103.266","0.003","110.833","0.004","1769.5","0.2","273","1","273","1","","","","","","","","4","P -1","-P 1","2","04csf005","","","- C40 H47 N O7 -","- C40 H47 N O7 -","- C80 H94 N2 O14 -","2","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","0.71073","MoKα","","0.0513","0.0455","","","0.1213","0.1277","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152856","16.17422","0.00015","16.17422","0.00015","7.32793","0.00011","90","","90","","90","","1917.03","0.04","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C19 H27 N O5 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","1.54184","CuKα","","0.044","0.0374","","","0.0947","0.0987","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152857","10.6847","0.0002","12.1746","0.0003","14.678","0.0003","90","","95.328","0.002","90","","1901.09","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 N O6 -","- C19 H29 N O6 -","- C76 H116 N4 O24 -","4","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","1.54184","CuKα","","0.0407","0.037","","","0.1","0.1021","","","","","","1.081","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152858","8.623","0.003","41.598","0.013","19.413","0.006","90","","100.518","0.005","90","","6846","4","100","2","100","2","","","","","","","Claudia Caltagirone","4","P 1 21/n 1","-P 2yn","14","","","","- C75 H107 N7 O6 -","- C75 H107 N7 O6 -","- C300 H428 N28 O24 -","4","1","","Caltagirone, Claudia; Bazzicalupi, Carla; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Olivari, Martina; Picci, Giacomo","A new family of bis-ureidic receptors for pyrophosphate optical sensing.","Organic & biomolecular chemistry","2013","11","15","2445","2451","10.1039/c3ob27244c","","","0.71075","MoKα","","0.1606","0.1018","","","0.1504","0.1762","","","","","","1.196","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152859","10.2116","0.0007","19.269","0.001","10.7192","0.0007","90","","113.424","0.001","90","","1935.4","0.2","123.2","","123.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N6 O -","- C21 H24 N6 O -","- C84 H96 N24 O4 -","4","1","","Soeta, Takahiro; Tamura, Kaname; Fujinami, Shuhei; Ukaji, Yutaka","A three-component reaction of C,N-cyclic N'-acyl azomethine imines, isocyanides, and azide compounds: effective synthesis of 1,5-disubstituted tetrazoles with tetrahydroisoquinoline skeletons.","Organic & biomolecular chemistry","2013","11","13","2168","2174","10.1039/c3ob27297d","","","0.7107","MoKα","","","0.0493","","","","0.0738","","","","","","1.294","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152860","6.0206","0.0004","10.2488","0.0007","20.3688","0.0013","90","","90","","90","","1256.83","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br S -","- C14 H11 Br S -","- C56 H44 Br4 S4 -","4","1","","Yang, Zhaozhen; Chen, Xiaoyi; Kong, Wei; Xia, Siyuan; Zheng, Renwei; Luo, Fang; Zhu, Gangguo","An operationally simple approach to (E)-α-halo vinyl sulfides and their applications for accessing stereodefined trisubstituted alkenes.","Organic & biomolecular chemistry","2013","11","13","2175","2185","10.1039/c3ob27307e","","","0.71073","MoKα","","0.0682","0.0353","","","0.074","0.0815","","","","","","1.059","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152861","17.855","0.002","6.2136","0.0007","27.618","0.003","90","","104.351","0.0017","90","","2968.4","0.6","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 O2 -","- C42 H38 O2 -","- C168 H152 O8 -","4","1","","Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.","Organic & biomolecular chemistry","2013","11","13","2186","2197","10.1039/c3ob27320b","","","0.7107","MoKα","","","0.118","","","","0.2846","","","","","","1.231","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152862","11.3212","0.0006","11.3699","0.0006","25.0897","0.0014","96.268","0.004","96.618","0.004","90.287","0.004","3188.4","0.3","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H42 -","- C44 H42 -","- C176 H168 -","4","2","","Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.","Organic & biomolecular chemistry","2013","11","13","2186","2197","10.1039/c3ob27320b","","","0.7749","synchrotron","","0.089","0.0609","","","0.1558","0.1721","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7152863","10.1439","0.0009","20.8219","0.0016","30.084","0.003","72.507","0.005","85.489","0.006","89.879","0.006","6040","0.9","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H38 O2 -","- C42 H38 O2 -","- C336 H304 O16 -","8","4","","Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.","Organic & biomolecular chemistry","2013","11","13","2186","2197","10.1039/c3ob27320b","","","0.7749","synchrotron","","0.1079","0.0752","","","0.1907","0.2123","","","","","","1.061","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7152864","5.7917","0.0006","16.0545","0.0016","18.954","0.002","90","","90.01","0.001","90","","1762.4","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","2","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.2419","0.128","","","0.2915","0.3449","","","","","","1.057","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152865","7.3977","0.0003","9.1656","0.0003","14.8408","0.0005","90","","99.475","0.002","90","","992.54","0.06","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.051","0.043","","","0.1138","0.1219","","","","","","1.064","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152866","15.108","0.0003","9.3204","0.0002","16.7632","0.0004","90","","112.403","0.001","90","","2182.32","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O4 -","- C11 H18 O4 -","- C88 H144 O32 -","8","2","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0441","0.036","","","0.0956","0.1035","","","","","","0.814","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152867","9.0166","0.0005","29.3472","0.0017","10.9981","0.0006","90","","108.743","0.002","90","","2755.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Cl2 O8 -","- C25 H42 Cl2 O8 -","- C100 H168 Cl8 O32 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0862","0.0567","","","0.136","0.1537","","","","","","1.032","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152868","9.3155","0.0011","19.012","0.002","6.3222","0.0007","90","","118.966","0.002","90","","979.63","0.19","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0453","0.0385","","","0.0993","0.1053","","","","","","1.044","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152869","5.902","0.0002","34.899","0.0012","7.948","0.0002","90","","100.671","0.001","90","","1608.77","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 O5 S -","- C16 H22 O5 S -","- C64 H88 O20 S4 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0812","0.0624","","","0.1767","0.196","","","","","","1.052","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152870","9.829","0.0004","9.8991","0.0004","16.3718","0.0006","90","","90","","90","","1592.95","0.11","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0355","0.0331","","","0.0862","0.088","","","","","","1.043","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152871","9.9411","0.0004","14.1752","0.0005","14.3185","0.0006","66.168","0.002","82.006","0.001","90.097","0.002","1824.01","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 N O4 S -","- C18 H27 N O4 S -","- C72 H108 N4 O16 S4 -","4","2","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.1596","0.0982","","","0.2531","0.2953","","","","","","1.022","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152872","5.7769","0.0009","8.856","0.002","14.249","0.003","84.286","0.008","79.6","0.006","76.235","0.008","695.2","0.2","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","1","1","","Tambara, Koujiro; Pantoş, G Dan","Conversion of aldoximes into nitriles and amides under mild conditions.","Organic & biomolecular chemistry","2013","11","15","2466","2472","10.1039/c3ob27362h","","","0.71073","MoKα","","0.1024","0.0934","","","0.2637","0.2715","","","","","","1.067","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152873","8.53","0.0003","12.4076","0.0004","15.1863","0.0007","90","","90","","90","","1607.27","0.11","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N4 O2 -","- C17 H24 N4 O2 -","- C68 H96 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","1.5418","CuKα","","0.0444","0.0387","","","0.1035","0.1165","","","","","","1.154","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152874","15.0424","0.0007","11.666","0.0004","12.3412","0.0005","90","","111.569","0.005","90","","2014.04","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C92 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","1.5418","CuKα","","0.1001","0.0809","","","0.2029","0.2153","","","","","","1.098","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152875","8.6628","0.0004","8.6628","0.0004","55.161","0.002","90","","90","","90","","4139.5","0.3","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C184 H224 N32 O16 -","8","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0495","0.0413","","","0.0966","0.1014","","","","","","1.066","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152876","12.9249","0.0004","20.3503","0.0005","9.3869","0.0004","90","","124.73","0.001","90","","2029.13","0.12","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C92 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0644","0.0509","","","0.1056","0.1156","","","","","","1.059","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152877","7.9849","0.0003","7.9849","0.0003","19.6071","0.0008","90","","90","","90","","1250.12","0.08","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C11 H20 N4 O2 -","- C11 H20 N4 O2 -","- C44 H80 N16 O8 -","4","0.5","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0507","0.0414","","","0.1043","0.1118","","","","","","1.02","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152878","8.1565","0.0008","12.776","0.0015","15.5401","0.0017","90","","90","","90","","1619.4","0.3","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C15 H28 N4 O2 -","- C15 H28 N4 O2 -","- C60 H112 N16 O8 -","4","0.5","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.1156","0.0775","","","0.1471","0.1639","","","","","","1.068","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152879","14.0399","0.0003","8.1422","0.0002","14.4418","0.0003","90","","90","","90","","1650.92","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N4 O2 -","- C15 H28 N4 O2 -","- C60 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.057","0.045","","","0.0982","0.1057","","","","","","1.036","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152880","6.6979","0.0002","12.3452","0.0005","13.8609","0.0004","90","","103.061","0.002","90","","1116.47","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N4 O3 -","- C9 H18 N4 O3 -","- C36 H72 N16 O12 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0896","0.054","","","0.1145","0.1291","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152881","8.6902","0.0001","34.9283","0.0003","11.4932","0.0002","90","","103.15","","90","","3397.1","0.08","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H25 Au F6 N O7 P S2 -","- C30 H25 Au F6 N O7 P S2 -","- C120 H100 Au4 F24 N4 O28 P4 S8 -","4","2","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0479","0.0375","","","0.0789","0.0832","","","","","","1.003","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152882","11.581","0.0002","13.095","0.0003","13.0305","0.0003","90","","114.426","0.001","90","","1799.25","0.07","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C37 H33 Au F3 N2 O4 P S -","- C37 H33 Au F3 N2 O4 P S -","- C74 H66 Au2 F6 N4 O8 P2 S2 -","2","1","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0519","0.046","","","0.1194","0.1249","","","","","","1.064","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152883","10.5355","0.0003","11.8539","0.0004","15.7927","0.0005","94.235","0.002","100.106","0.001","112.49","0.002","1772.35","0.1","173","2","173","2","","","","","","","synthesis as described","8","P 1","P 1","1","","","","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","1","1","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0374","0.0305","","","0.0675","0.0706","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152884","10.958","0.013","11.539","0.013","16.667","0.019","75.826","0.013","82.501","0.013","65.07","0.012","1852","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H35 F12 N5 O P2 -","- C36 H35 F12 N5 O P2 -","- C72 H70 F24 N10 O2 P4 -","2","1","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.0877","0.0744","","","0.2161","0.2335","","","","","","1.034","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152885","9.6585","0.0004","25.7091","0.0012","14.0835","0.0007","90","","92.542","0.002","90","","3493.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 F24 N10 O P4 -","- C68 H56 F24 N10 O P4 -","- C136 H112 F48 N20 O2 P8 -","2","0.5","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.2034","0.0815","","","0.2006","0.2533","","","","","","1.104","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152886","14.481","0.003","13.824","0.003","16.878","0.003","90","","109.685","0.003","90","","3181.3","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15.5 Br N2.5 O1.5 -","- C17 H15.5 Br N2.5 O1.5 -","- C136 H124 Br8 N20 O12 -","8","4","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.106","0.0641","","","0.1537","0.1815","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152887","8.8544","0.0015","11.0995","0.0019","16.475","0.003","91.233","0.002","90.453","0.002","105.781","0.002","1557.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4.11 H3.22 Br0.22 N0.56 O0.06 -","- C4.11111 H3.22222 Br0.222222 N0.555556 O0.0555556 -","- C74 H58 Br4 N10 O -","18","9","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.1144","0.063","","","0.1865","0.2112","","","","","","1.082","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152888","7.7325","0.0003","8.863","0.0003","9.8596","0.0003","82.255","0.002","68.663","0.002","78.619","0.002","615.55","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O -","- C17 H11 N O -","- C34 H22 N2 O2 -","2","1","","Chen, Xuxing; He, Qian; Xie, Yuyuan; Yang, Chunhao","Palladium(ii)-catalyzed synthesis of functionalized indenones via oxidation and cyclization of 2-(2-arylethynylphenyl)acetonitriles.","Organic & biomolecular chemistry","2013","11","16","2582","2585","10.1039/c3ob40103k","","","0.71073","MoKα","","0.0586","0.0503","","","0.1646","0.1725","","","","","","1.634","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152889","9.6394","0.0003","13.2527","0.0004","22.5332","0.0006","90","","90","","90","","2878.57","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 O7 S2 -","- C30 H36 O7 S2 -","- C120 H144 O28 S8 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","0.71073","MoKα","","0.0281","0.0266","","","0.0694","0.0705","","","","","","1.02","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152890","5.7115","0.0001","15.4417","0.0003","19.7977","0.0004","90","","95.9719","0.0008","90","","1736.59","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2Z)-2-(5-fluoro-2-{2-(phenylsulfonyl)ethyl}benzyl)but-2-ene-1,4-diol","","- C19 H21 F O4 S -","- C19 H21 F O4 S -","- C76 H84 F4 O16 S4 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0427","0.0405","","","0.1143","0.1166","","","","","","1.033","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152891","12.4942","0.0006","13.9308","0.0006","40.8485","0.0018","90","","90","","90","","7109.9","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 F O7.5 S2 -","- C38 H46 F O7.5 S2 -","- C304 H368 F8 O60 S16 -","8","2","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","0.71073","MoKα","","0.0599","0.0412","","","0.0844","0.0932","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152892","8.2366","0.0002","12.8102","0.0003","37.2684","0.0007","90","","90","","90","","3932.28","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 F O9 S2 -","- C37 H41 F O9 S2 -","- C148 H164 F4 O36 S8 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0295","0.0292","","","0.0789","0.0791","","","","","","1.084","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152893","12.3385","0.0001","13.7101","0.0002","41.224","0.0005","90","","90","","90","","6973.54","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 F O7.5 S2 -","- C37 H42 F O7.5 S2 -","- C296 H336 F8 O60 S16 -","8","2","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0291","0.0284","","","0.076","0.0765","","","","","","1.057","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152894","9.912","0.0006","11.6861","0.0009","15.4195","0.0011","93.93","0.001","104.033","0.002","103.177","0.002","1672.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H38 N2 O3 -","- C37 H38 N2 O3 -","- C74 H76 N4 O6 -","2","1","","Ding, Yubin; Li, Tong; Li, Xin; Zhu, Weihong; Xie, Yongshu","From nonconjugation to conjugation: novel meso-OH substituted dipyrromethanes as fluorescence turn-on Zn(2+) probes.","Organic & biomolecular chemistry","2013","11","16","2685","2692","10.1039/c3ob40121a","","","0.71073","MoKα","","0.1287","0.0603","","","0.1044","0.1206","","","","","","1.063","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152895","10.477","0.003","12.939","0.003","13.929","0.003","111.981","0.007","99.22","0.007","101.616","0.007","1656.4","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 N6 O -","- C38 H44 N6 O -","- C76 H88 N12 O2 -","2","1","","Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan","The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.","Organic & biomolecular chemistry","2013","11","17","2818","2826","10.1039/c3ob40147b","","","0.71073","MoKα","","0.0799","0.0478","","","0.1151","0.1315","","","","","","1.005","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152896","11.774","0.002","13.988","0.003","17.936","0.003","97.519","0.006","104.854","0.006","111.281","0.005","2577","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H43.33 N6 O0.66 -","- C38 H43.3333 N6 O0.666667 -","- C114 H130 N18 O2 -","3","1.5","","Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan","The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.","Organic & biomolecular chemistry","2013","11","17","2818","2826","10.1039/c3ob40147b","","","0.71073","MoKα","","0.1194","0.053","","","0.1182","0.1475","","","","","","1.004","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152897","13.937","0.005","19.444","0.007","11.779","0.004","90","","100.961","0.014","90","","3133.8","1.9","295","2","295","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C38 H38 N6 -","- C38 H38 N6 -","- C152 H152 N24 -","4","1","","Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan","The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.","Organic & biomolecular chemistry","2013","11","17","2818","2826","10.1039/c3ob40147b","","","0.71073","MoKα","","0.081","0.0503","","","0.1126","0.1266","","","","","","1.043","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152898","6.9174","0.0002","9.4363","0.0003","14.0634","0.0004","90","","90","","90","","917.98","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C32 H60 N4 O12 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Polyhydroxylated pyrrolizidine alkaloids from transannular iodoaminations: application to the asymmetric syntheses of (-)-hyacinthacine A1, (-)-7a-epi-hyacinthacine A1, (-)-hyacinthacine A2, and (-)-1-epi-alexine.","Organic & biomolecular chemistry","2013","11","19","3187","3202","10.1039/c3ob40205c","","","1.54184","CuKα","","0.0382","0.034","","0.0864","0.083","0.0864","","","","","","1.0023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152899","9.0523","0.0001","11.9795","0.0002","22.5183","0.0004","90","","90","","90","","2441.93","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O6 -","- C25 H37 N O6 -","- C100 H148 N4 O24 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Polyhydroxylated pyrrolizidine alkaloids from transannular iodoaminations: application to the asymmetric syntheses of (-)-hyacinthacine A1, (-)-7a-epi-hyacinthacine A1, (-)-hyacinthacine A2, and (-)-1-epi-alexine.","Organic & biomolecular chemistry","2013","11","19","3187","3202","10.1039/c3ob40205c","","","0.71073","MoKα","","0.0322","0.028","","0.0678","0.0635","0.0678","","","","","","0.9306","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152900","7.677","0.0015","14.89","0.003","8.9195","0.0018","90","","105.14","0.03","90","","984.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0695","0.0615","","","0.1283","0.1326","","","","","","1.166","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152901","13.826","0.003","9.5792","0.0019","16.063","0.003","90","","90","","90","","2127.4","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0722","0.061","","","0.1202","0.1253","","","","","","1.191","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152902","25.951","0.005","5.6442","0.0011","15.203","0.003","90","","113.62","0.03","90","","2040.3","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0947","0.0833","","","0.1619","0.1678","","","","","","1.233","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152903","11.044","0.003","8.006","0.0019","11.73","0.003","90","","98.346","0.004","90","","1026.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0555","0.0502","","","0.1136","0.1176","","","","","","1.112","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152904","15.663","0.003","8.2891","0.0017","21.056","0.004","90","","90","","90","","2733.7","0.9","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C112 H160 N16 O16 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0889","0.0731","","","0.123","0.1285","","","","","","1.245","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152905","10.6173","0.0007","9.222","0.0006","10.9711","0.0007","90","","115.165","0.002","90","","972.25","0.11","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Cl N O4 -","- C22 H22 Cl N O4 -","- C44 H44 Cl2 N2 O8 -","2","1","","Ray, Sumit K.; Rout, Subhrajit; Singh, Vinod K.","Enantioselective synthesis of 3,4-dihydropyran derivatives via a Michael addition reaction catalysed by chiral pybox-diph-Zn(ii) complex.","Organic & biomolecular chemistry","2013","11","15","2412","2416","10.1039/c3ob40246k","","","0.71073","MoKα","","0.0471","0.0373","","","0.0757","0.0791","","","","","","1.054","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152906","10.1531","0.0009","9.1685","0.0007","11.3968","0.0009","90","","110.669","0.002","90","","992.63","0.14","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O4 -","- C22 H22 Br N O4 -","- C44 H44 Br2 N2 O8 -","2","1","","Ray, Sumit K.; Rout, Subhrajit; Singh, Vinod K.","Enantioselective synthesis of 3,4-dihydropyran derivatives via a Michael addition reaction catalysed by chiral pybox-diph-Zn(ii) complex.","Organic & biomolecular chemistry","2013","11","15","2412","2416","10.1039/c3ob40246k","","","0.71073","MoKα","","0.0937","0.0521","","","0.0676","0.0769","","","","","","0.936","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152907","21.3378","0.0019","11.5579","0.001","10.3203","0.0009","90","","100.329","0.008","90","","2503.9","0.4","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl 2,2'-(6-nitro-6-phenyl-1,4-diazepane-1,4-diyl)diacetate","","- C23 H35 N3 O6 -","- C23 H35 N3 O6 -","- C92 H140 N12 O24 -","4","1","","Parker, David; Waldron, Bradley P.","Conformational analysis and synthetic approaches to polydentate perhydro-diazepine ligands for the complexation of gallium(iii).","Organic & biomolecular chemistry","2013","11","17","2827","2838","10.1039/c3ob40287h","","","0.7107","MoKα","Mo","0.2327","0.0899","","","0.1741","0.2425","","","","","","0.944","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152908","5.7906","0.0007","9.5843","0.0011","20.978","0.002","81.025","0.01","87.158","0.01","85.46","0.01","1145.6","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","tert-Butyl 2,2'-(6-hydroxy-6-phenyl-1,4-diazepane-1,4-diyl)diacetate","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C46 H72 N4 O10 -","2","1","","Parker, David; Waldron, Bradley P.","Conformational analysis and synthetic approaches to polydentate perhydro-diazepine ligands for the complexation of gallium(iii).","Organic & biomolecular chemistry","2013","11","17","2827","2838","10.1039/c3ob40287h","","x-ray","0.71073","MoKα","K-L~3~","0.1141","0.0563","","","0.1154","0.1365","","","","","","0.994","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152909","8.6179","0.0003","7.0392","0.0003","30.2576","0.001","90","","91.859","0.003","90","","1834.55","0.12","130","0.2","130","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C88 H96 O24 -","8","2","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","1.5418","CuKα","","0.0523","0.0444","","","0.1315","0.1491","","","","","","1.118","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152910","6.9852","0.001","10.5113","0.0015","10.8498","0.0011","68.415","0.011","78.65","0.01","80.137","0.012","721.99","0.17","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O5 -","- C17 H15 N O5 -","- C34 H30 N2 O10 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0519","0.0425","","","0.108","0.1167","","","","","","1.071","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152911","8.126","0.0006","8.7446","0.0005","12.5714","0.0007","89.867","0.005","76.801","0.005","62.719","0.007","767.54","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O6 -","- C18 H15 N O6 -","- C36 H30 N2 O12 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","1.5418","CuKα","","0.0462","0.0431","","","0.1169","0.1196","","","","","","1.018","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152912","7.5474","0.0004","8.41","0.0005","13.9152","0.0008","102.757","0.005","90.682","0.004","115.31","0.005","773.07","0.09","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O6 -","- C18 H15 N O6 -","- C36 H30 N2 O12 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0564","0.0426","","","0.0982","0.1093","","","","","","1.053","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152913","5.7385","0.0004","10.3221","0.0007","13.5698","0.0009","111.374","0.006","92.266","0.005","102.902","0.006","723.1","0.09","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 Cl3 O4 -","- C13 H11 Cl3 O4 -","- C26 H22 Cl6 O8 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","1.5418","CuKα","","0.0578","0.0522","","","0.1436","0.1479","","","","","","1.079","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152914","5.8663","0.0003","8.9585","0.0006","12.2036","0.0007","95.715","0.005","103.005","0.005","104.096","0.005","597.93","0.07","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O5 S -","- C12 H14 O5 S -","- C24 H28 O10 S2 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0447","0.0372","","","0.0897","0.0957","","","","","","1.056","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152915","7.3222","0.0002","8.3972","0.0003","13.2244","0.0004","90","","92.244","0.003","90","","812.49","0.04","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 N O7 S -","- C17 H15 N O7 S -","- C34 H30 N2 O14 S2 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0428","0.0375","","","0.0894","0.0936","","","","","","1.004","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152916","9.992","0.002","10.278","0.002","17.851","0.004","90","","90","","90","","1833.3","0.7","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N2 O7 P -","- C15 H23 N2 O7 P -","- C60 H92 N8 O28 P4 -","4","1","","Fan, Weidong; Kong, Shasha; Cai, Yan; Wu, Guiping; Miao, Zhiwei","Diastereo- and enantioselective nitro-Mannich reaction of α-substituted nitroacetates to N-phosphoryl imines catalyzed by cinchona alkaloid thiourea organocatalysts.","Organic & biomolecular chemistry","2013","11","19","3223","3229","10.1039/c3ob40335a","","","0.71073","MoKα","","0.0341","0.0285","","","0.065","0.0668","","","","","","1.014","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152917","9.885","0.0008","14.8989","0.0013","16.7201","0.0015","105.671","0.001","104.415","0.001","106.917","0.002","2120.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H16 N2 O2 S -","- C27 H16 N2 O2 S -","- C108 H64 N8 O8 S4 -","4","2","","Li, Ying; Fan, Wei; Xu, Hai-Wei; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","A novel three-component [5 + 1] heterocyclization leading to 2-azafluorenone synthesis and its polyfunctionalizations.","Organic & biomolecular chemistry","2013","11","15","2417","2420","10.1039/c3ob40371h","","","0.71073","MoKα","","0.151","0.0741","","","0.1714","0.2008","","","","","","1.028","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152918","12.174","0.006","6.293","0.003","12.398","0.006","90","","98.901","0.014","90","","938.4","0.8","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","1","","Leckie, Stuart M.; Brown, T. Bruce; Pryde, David; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D.","NHC-mediated enantioselective formal [4 + 2] cycloadditions of alkylarylketenes and β,γ-unsaturated α-ketocarboxylic esters and amides.","Organic & biomolecular chemistry","2013","11","19","3230","3246","10.1039/c3ob40424b","","","1.54187","CuKα","","","0.0498","","","","0.1347","","","","","","1.065","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152919","5.827","0.0009","9.2591","0.0014","8.8013","0.0013","90","","90.3","0.003","90","","474.85","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H12 Cl F2 N O3 -","- C5 H12 Cl F2 N O3 -","- C10 H24 Cl2 F4 N2 O6 -","2","0.5","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","0.71073","MoKα","","0.0436","0.0356","","","0.0748","0.0774","","","","","","0.98","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152920","31.8762","0.0015","11.7398","0.0006","16.4074","0.0008","90","","116.395","0.002","90","","5499.9","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H67 Cl3 F4 N10 O12 -","- C43 H67 Cl3 F4 N10 O12 -","- C172 H268 Cl12 F16 N40 O48 -","4","0.5","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","1.54178","CuKα","","0.0543","0.0521","","","0.1348","0.137","","","","","","1.049","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152921","13.0719","0.0016","11.4964","0.0014","15.273","0.002","90","","102.562","0.003","90","","2240.3","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H58 N6 O8 -","- C47 H58 N6 O8 -","- C94 H116 N12 O16 -","2","1","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","0.71073","MoKα","","0.1104","0.0491","","","0.0609","0.0763","","","","","","0.691","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152922","9.014","0.0005","10.7721","0.0005","11.3234","0.0007","90","","101.481","0.006","90","","1077.5","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Muir, Calum W.; Kennedy, Alan R.; Redmond, Joanna M.; Watson, Allan J. B.","Synthesis of functionalised 4H-quinolizin-4-ones via tandem Horner-Wadsworth-Emmons olefination/cyclisation.","Organic & biomolecular chemistry","2013","11","20","3337","3340","10.1039/c3ob40578h","","","0.71073","MoKα","","0.0769","0.0475","","","0.0937","0.1061","","","","","","1.041","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152923","16.8344","0.0014","12.0895","0.0007","19.8772","0.0013","90","","117.868","0.005","90","","3576.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C156 H180 N12 O24 -","12","3","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.081","0.0588","","","0.1459","0.1605","","","","","","1.031","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152924","12.1245","0.0003","14.0624","0.0003","16.2235","0.0004","83.164","0.002","73.727","0.002","69.797","0.002","2491.16","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C104 H112 N16 O32 -","8","4","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.1043","0.0558","","","0.1256","0.151","","","","","","1.017","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152925","9.7809","0.0003","11.4606","0.0004","20.8757","0.0007","90","","90","","90","","2340.06","0.13","150","1","150","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H19 N O2 -","- C11 H19 N O2 -","- C88 H152 N8 O16 -","8","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.1395","0.0691","","","0.1759","0.2306","","","","","","1.018","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152926","8.034","0.0004","9.1042","0.0005","11.2816","0.0007","70.084","0.003","70.43","0.003","80.387","0.004","729.7","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H17 N O6 S -","- C13 H17 N O6 S -","- C26 H34 N2 O12 S2 -","2","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.106","0.058","","","0.1347","0.167","","","","","","1.052","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152927","27.07","0.004","5.0325","0.0004","10.36","0.0014","90","","103.134","0.004","90","","1374.4","0.3","150","1","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.0837","0.0499","","","0.1088","0.1259","","","","","","1.033","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152928","12.8657","0.0004","13.402","0.0005","14.1823","0.0003","90","","100.672","0.0019","90","","2403.1","0.13","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cu N2 O4 -","- C26 H28 Cu N2 O4 -","- C104 H112 Cu4 N8 O16 -","4","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.0767","0.042","","","0.0892","0.1036","","","","","","1.048","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152929","9.4026","0.0002","32.1434","0.0007","9.1405","0.0002","90","","110.9","0.001","90","","2580.78","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N3 O10 -","- C29 H25 N3 O10 -","- C116 H100 N12 O40 -","4","1","","Lee, Hogyu; Kim, Jun Hee; Lee, Won Koo; Cho, Jaeheung; Nam, Wonwoo; Lee, Jaedeok; Ha, Hyun-Joon","Highly stereoselective directed reactions and an efficient synthesis of azafuranoses from a chiral aziridine.","Organic & biomolecular chemistry","2013","11","22","3629","3634","10.1039/c3ob27390c","","","0.71073","MoKα","","0.0427","0.0357","","","0.0912","0.0964","","","","","","1.014","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152930","11.016","0.003","6.7826","0.0018","21.878","0.006","90","","101.024","0.004","90","","1604.5","0.8","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C43 H30 N4 O2 -","- C43 H30 N4 O2 -","- C86 H60 N8 O4 -","2","0.5","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.8856","synchrotron","","0.0729","0.0446","","","0.1028","0.1149","","","","","","1.033","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152931","12.801","0.004","12.814","0.004","14.782","0.005","81.419","0.005","75.271","0.005","84.415","0.005","2314.3","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H38 F12 N6 O3 -","- C51 H38 F12 N6 O3 -","- C102 H76 F24 N12 O6 -","2","1","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.71073","MoKα","","0.1336","0.0693","","","0.1809","0.213","","","","","","1.024","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152932","12.6859","0.0012","12.9511","0.0012","14.5378","0.0013","81.726","0.001","76.306","0.002","84.185","0.001","2290.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H40 F12 N6 O3 -","- C51 H40 F12 N6 O3 -","- C102 H80 F24 N12 O6 -","2","1","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.71073","MoKα","","0.0979","0.0674","","","0.1846","0.2038","","","","","","1.051","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152933","14.44","0.004","16.901","0.005","14.82","0.004","90","","117.629","0.004","90","","3204.4","1.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 Cl N5 -","- C42.9985 H27.998 Cl1.0005 N5.0005 -","- C171.994 H111.992 Cl4.002 N20.002 -","4","1","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.71073","MoKα","","0.1966","0.0733","","","0.1599","0.2002","","","","","","0.984","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152934","9.9199","0.0012","9.5808","0.0011","18.108","0.002","90","","105.506","0.003","90","","1658.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Symmetric and unsymmetric 3,3'-linked bispyrroles via ring-enlargement reactions of furan-derived donor-acceptor cyclopropanes.","Organic & biomolecular chemistry","2013","11","21","3494","3509","10.1039/c3ob40228b","","","0.71073","MoKα","","0.0643","0.0517","","","0.1384","0.147","","","","","","1.094","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152935","17.313","0.003","12.727","0.002","8.9581","0.0015","90","","93.106","0.008","90","","1971","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C104 H84 N4 O8 -","4","0.5","","Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Symmetric and unsymmetric 3,3'-linked bispyrroles via ring-enlargement reactions of furan-derived donor-acceptor cyclopropanes.","Organic & biomolecular chemistry","2013","11","21","3494","3509","10.1039/c3ob40228b","","","1.54178","CuKα","","0.0326","0.0297","","","0.0761","0.079","","","","","","1.074","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152936","15.4853","0.0008","23.2543","0.001","27.7178","0.001","90","","90","","90","","9981.2","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C70.5 H130 O42 -","- C70.5 H130 O42 -","- C282 H520 O168 -","4","1","","Jouffroy, Matthieu; Armspach, Dominique; Matt, Dominique; Toupet, Loïc","Regioselective di- and tetra-functionalisation of γ-cyclodextrin using capping methodology.","Organic & biomolecular chemistry","2013","11","22","3699","3705","10.1039/c3ob40234g","","","0.71073","MoKα","","0.2359","0.07","","","0.1668","0.2129","","","","","","0.691","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152937","10.8452","0.0019","20.44","0.003","8.5123","0.0018","90","","106.969","0.015","90","","1804.8","0.6","213.1","","213","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 Cl2 N4 O -","- C16 H20 Cl2 N4 O -","- C64 H80 Cl8 N16 O4 -","4","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0509","","","","0.1532","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152938","9.3274","0.0013","21.826","0.003","7.1188","0.0009","90","","94.249","0.011","90","","1445.3","0.3","213.1","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br2 N4 -","- C14 H14 Br2 N4 -","- C56 H56 Br8 N16 -","4","0.5","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0367","","","","0.0997","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152939","22.853","0.005","7.5764","0.0014","10.434","0.002","90","","96.625","0.017","90","","1794.5","0.6","213.1","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl2 N4 O2 -","- C16 H18 Cl2 N4 O2 -","- C64 H72 Cl8 N16 O8 -","4","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0423","","","","0.1547","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152940","11.677","0.003","11.8984","0.0014","9.9909","0.0012","103.393","0.009","108.395","0.012","89.725","0.013","1277.9","0.4","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O8 -","- C24 H24 N4 O8 -","- C48 H48 N8 O16 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0631","","","","0.2094","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152941","11.4606","0.0007","12.5728","0.0012","10.4779","0.0008","108.785","0.006","102.511","0.006","63.7","0.006","1276.53","0.19","213.1","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F4 N4 O7 -","- C24 H20 F4 N4 O7 -","- C48 H40 F8 N8 O14 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0527","","","","0.1536","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152942","11.197","0.005","11.525","0.006","10.753","0.005","116.02","0.03","90.97","0.03","73.52","0.04","1186.4","1.1","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O9 -","- C22 H18 N4 O9 -","- C44 H36 N8 O18 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0913","","","","0.3154","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152943","11.6126","0.0014","12.017","0.002","10.144","0.002","108.959","0.014","94.679","0.015","114.816","0.011","1175.4","0.4","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O8 -","- C24 H20 N4 O8 -","- C48 H40 N8 O16 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0758","","","","0.2518","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152944","11.48","0.005","11.934","0.005","10.976","0.004","109.92","0.03","102.6","0.03","111.76","0.03","1206.5","1.1","213.1","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 F4 N4 O6 -","- C24 H16 F4 N4 O6 -","- C48 H32 F8 N8 O12 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0566","","","","0.192","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152945","11.5243","0.0013","11.7284","0.0016","10.081","0.0014","108.915","0.011","105.206","0.01","105.742","0.01","1145.2","0.3","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C44 H56 N8 O12 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0423","","","","0.1569","","","","","","1.186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152946","12.054","0.003","12.563","0.004","9.714","0.003","105.63","0.02","109.56","0.02","102.83","0.02","1253.4","0.7","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 N4 O6 -","- C24 H28 N4 O6 -","- C48 H56 N8 O12 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0771","","","","0.2256","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152947","9.7411","0.0015","16.079","0.003","7.9526","0.0019","98.725","0.016","103.439","0.015","79.976","0.012","1184.9","0.4","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N4 O4 -","- C26 H32 N4 O4 -","- C52 H64 N8 O8 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0439","","","","0.1458","","","","","","0.929","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152948","9.229","0.0018","11.142","0.002","12.526","0.003","76.53","0.03","80.97","0.03","86.17","0.03","1236.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-bromo-N-(2-(3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl)-4 -chloro-6-methylphenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole -5-carboxamide","","- C24 H14 Br2 Cl2 N6 O2 -","- C24 H14 Br2 Cl2 N6 O2 -","- C48 H28 Br4 Cl4 N12 O4 -","2","1","","Li, Yuhao; Zhu, Hongjun; Chen, Kai; Liu, Rui; Khallaf, Abdalla; Zhang, Xiangning; Ni, Jueping","Synthesis, insecticidal activity, and structure-activity relationship (SAR) of anthranilic diamides analogs containing oxadiazole rings.","Organic & biomolecular chemistry","2013","11","24","3979","3988","10.1039/c3ob40345a","","","0.71073","MoKα","","0.1293","0.0657","","","0.149","0.1713","","","","","","1.001","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152949","5.7198","0.0015","9.0209","0.0019","11.863","0.003","79.85","0.019","78.78","0.02","87.139","0.019","590.9","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 O2 S4 -","- C26 H28 O2 S4 -","- C26 H28 O2 S4 -","1","0.5","","Evans, Nicholas R.; White, Andrew J. P.","(E)-5,5'-Di(thiophen-2-yl)-3,3'-bi[thiophen-3(2H)-ylidene]-2,2'-diones-from conspicuous blue impurities to ""quasi-metallic"" golden-bronze crystals.","Organic & biomolecular chemistry","2013","11","23","3871","3879","10.1039/c3ob40373d","","","1.54184","CuKα","","0.0775","0.0689","","","0.1966","0.2082","","","","","","1.074","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152950","6.3559","0.0004","8.6356","0.0003","11.6399","0.0006","78.832","0.004","77.408","0.005","87.543","0.004","611.71","0.06","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O2 S6 -","- C24 H24 O2 S6 -","- C24 H24 O2 S6 -","1","0.5","","Evans, Nicholas R.; White, Andrew J. P.","(E)-5,5'-Di(thiophen-2-yl)-3,3'-bi[thiophen-3(2H)-ylidene]-2,2'-diones-from conspicuous blue impurities to ""quasi-metallic"" golden-bronze crystals.","Organic & biomolecular chemistry","2013","11","23","3871","3879","10.1039/c3ob40373d","","","1.54184","CuKα","","0.0349","0.0306","","","0.0779","0.0801","","","","","","1.056","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152951","14.0891","0.0006","12.3368","0.0005","14.0775","0.0006","90","","117.268","0.001","90","","2174.96","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N4 O4 -","- C22 H30 N4 O4 -","- C88 H120 N16 O16 -","4","1","","Ramanathan, Mani; Tan, Chun-Jui; Chang, Wen-Jung; Tsai, Hui-Hsu Gavin; Hou, Duen-Ren","Synthesis of the decalin core of codinaeopsin via an intramolecular Diels-Alder reaction.","Organic & biomolecular chemistry","2013","11","23","3846","3854","10.1039/c3ob40480c","","","0.71073","MoKα","","0.0978","0.0482","","","0.1188","0.1413","","","","","","1.026","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152952","10.3528","0.0004","10.3325","0.0003","18.7803","0.0007","90","","90","","90","","2008.93","0.12","123","1","123","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C84 H116 N12 O12 -","4","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0259","0.0242","","","0.0609","0.0624","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152953","6.8229","0.0001","19.0016","0.0003","8.4335","0.0001","90","","92.391","0.0007","90","","1092.42","0.03","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N4 O2 -","- C26 H28 N4 O2 -","- C52 H56 N8 O4 -","2","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0239","0.0236","","","0.0604","0.0606","","","","","","1.043","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152954","7.9993","0.0002","12.1497","0.0002","21.7198","0.0004","90","","90","","90","","2110.93","0.07","123","1","123","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N3 O2 -","- C25 H29 N3 O2 -","- C100 H116 N12 O8 -","4","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0238","0.0235","","","0.0577","0.0581","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152955","22.3036","0.0006","15.0552","0.0005","31.5788","0.0009","90","","132.268","0.002","90","","7846.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 F6 N O9 P -","- C34 H54 F6 N O9 P -","- C272 H432 F48 N8 O72 P8 -","8","2","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.1306","0.0896","","","0.2622","0.3046","","","","","","1.053","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152956","12.7822","0.0007","15.427","0.0008","19.5317","0.001","90","","91.937","0.005","90","","3849.3","0.4","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H56 F6 N O9 P -","- C35 H56 F6 N O9 P -","- C140 H224 F24 N4 O36 P4 -","4","1","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.0818","0.0542","","","0.133","0.1525","","","","","","1.037","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152957","12.9587","0.0008","15.3868","0.0009","19.5493","0.0012","90","","92.997","0.006","90","","3892.7","0.4","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 F6 N O9 P -","- C36 H58 F6 N O9 P -","- C144 H232 F24 N4 O36 P4 -","4","1","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.0698","0.0442","","","0.099","0.1134","","","","","","1.026","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152958","9.3855","0.0006","21.1336","0.0013","20.3716","0.0013","90","","96.47","0.005","90","","4015","0.4","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 F6 N O9 P -","- C36 H58 F6 N O9 P -","- C144 H232 F24 N4 O36 P4 -","4","1","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.1074","0.0694","","","0.1663","0.1922","","","","","","1.033","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152959","8.7222","0.0003","9.0436","0.0003","28.4643","0.001","91.015","0.002","92.972","0.002","90.897","0.002","2241.59","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H41 F12 N9 O2 P2 Ru -","- C42 H41 F12 N9 O2 P2 Ru -","- C84 H82 F24 N18 O4 P4 Ru2 -","2","1","","Hvasanov, David; Mason, Alexander F.; Goldstein, Daniel C.; Bhadbhade, Mohan; Thordarson, Pall","Optimising the synthesis, polymer membrane encapsulation and photoreduction performance of Ru(ii)- and Ir(iii)-bis(terpyridine) cytochrome c bioconjugates.","Organic & biomolecular chemistry","2013","11","28","4602","4612","10.1039/c3ob40620b","","","0.71073","MoKα","","0.0671","0.0414","","","0.1051","0.1253","","","","","","0.83","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152960","8.633","0.0017","15.459","0.003","41.642","0.008","90","","93.22","0.03","90","","5548.7","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H54 F12 N10 O6 P2 Ru -","- C52 H54 F12 N10 O6 P2 Ru -","- C208 H216 F48 N40 O24 P8 Ru4 -","4","1","","Hvasanov, David; Mason, Alexander F.; Goldstein, Daniel C.; Bhadbhade, Mohan; Thordarson, Pall","Optimising the synthesis, polymer membrane encapsulation and photoreduction performance of Ru(ii)- and Ir(iii)-bis(terpyridine) cytochrome c bioconjugates.","Organic & biomolecular chemistry","2013","11","28","4602","4612","10.1039/c3ob40620b","","","0.71073","Synchrotron","","0.0684","0.0591","","","0.1386","0.1438","","","","","","1.16","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152961","6.4489","0.0002","9.7481","0.0003","36.086","0.001","90","","90","","90","","2268.53","0.12","150","2","150","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C20 H26.5 F3 N3 O5.25 -","- C20 H26.5 F3 N3 O5.25 -","- C80 H106 F12 N12 O21 -","4","1","","Chaubet, Guilhem; Coursindel, Thibault; Morelli, Xavier; Betzi, Stéphane; Roche, Philippe; Guari, Yannick; Lebrun, Aurélien; Toupet, Loïc; Collette, Yves; Parrot, Isabelle; Martinez, Jean","Stereoselective synthesis of original spirolactams displaying promising folded structures.","Organic & biomolecular chemistry","2013","11","28","4719","4726","10.1039/c3ob40643a","","","0.71073","MoKα","","0.0714","0.0395","","","0.0808","0.0862","","","","","","0.829","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152962","20.1602","0.0018","6.005","0.0005","17.3601","0.0015","90","","115.257","0.002","90","","1900.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br F N2 O -","- C22 H16 Br F N2 O -","- C88 H64 Br4 F4 N8 O4 -","4","1","","Xu, Hai-Wei; Fan, Wei; Li, Meng-Yuan; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","A novel domino strategy for forming poly-substituted quaternary imidazoles through a Cs2CO3-promoted aryl migration process.","Organic & biomolecular chemistry","2013","11","22","3603","3607","10.1039/c3ob40666k","","","0.71073","MoKα","","0.2596","0.1458","","","0.3382","0.3922","","","","","","1.002","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152963","17.1888","0.0015","7.7634","0.0006","19.7711","0.0018","90","","107.401","0.004","90","","2517.6","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.7107","MoKα","","0.0705","0.0475","","","0.137","0.1623","","","","","","1.029","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152964","5.4793","0.0018","20.849","0.007","17.361","0.006","90","","98.866","0.018","90","","1959.6","1.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","1","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.7107","MoKα","","0.2642","0.1245","","","0.2698","0.3401","","","","","","1.048","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152965","7.747","0.0005","26.153","0.0019","8.5985","0.0006","90","","108.664","0.003","90","","1650.5","0.2","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.71073","MoKα","","0.0644","0.0429","","","0.098","0.107","","","","","","1.071","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152966","17.1588","0.0013","7.6525","0.0007","20.1851","0.0016","90","","107.382","0.003","90","","2529.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.71073","MoKα","","0.0487","0.0354","","","0.0965","0.1057","","","","","","1.044","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152967","5.3111","0.0003","11.1077","0.0006","19.5383","0.0013","90","","96.676","0.006","90","","1144.83","0.12","190","","190","","","","101","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O3 -","- C11 H14 Cl N O3 -","- C44 H56 Cl4 N4 O12 -","4","2","","Kubelka, Tomáš; Slavětínská, Lenka; Eigner, Václav; Hocek, Michal","Synthesis of 2,6-disubstituted pyridin-3-yl C-2'-deoxyribonucleosides through chemoselective transformations of bromo-chloropyridine C-nucleosides.","Organic & biomolecular chemistry","2013","11","28","4702","4718","10.1039/c3ob40774h","","","1.54184","CuKα","","0.0383","0.0376","","0.095","0.0923","0.095","","","","","","1.0397","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152968","10.594","0.007","12.392","0.008","13.698","0.009","90","","105.41","0.02","90","","1734","2","270","2","270","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7,7-Di(benzofuran-2-yl)-6-oxa-bicyclo[3.2.1]octan-4-ol","","","- C23 H18 O4 -","- C23 H18 O4 -","- C92 H72 O16 -","4","1","","Dhiman, Seema; Ramasastry, S. S. V.","Taming furfuryl cations for the synthesis of privileged structures and novel scaffolds.","Organic & biomolecular chemistry","2013","11","26","4299","4303","10.1039/c3ob40814k","","","0.71073","MoKα","","0.154","0.0569","","","0.1176","0.1534","","","","","","0.933","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152969","33.5085","0.0013","6.1892","0.0002","8.0369","0.0003","90","","90","","90","","1666.78","0.1","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Liao, Cang-Song; Tang, Chun-Ping; Yao, Sheng; Ye, Yang","Humulane-type sesquiterpenoids from Pilea cavaleriei subsp. crenata.","Organic & biomolecular chemistry","2013","11","29","4840","4846","10.1039/c3ob40872h","","","1.54178","CuKα","","0.0526","0.0516","","","0.1472","0.1478","","","","","","1.093","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152970","9.807","0.005","13.026","0.006","14.561","0.007","90","","96.029","0.008","90","","1849.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Yang, Dingqiao; Xia, Jiuyun; Long, Yuhua; Zeng, Zhongyi; Zuo, Xiongjun; Wang, Sanyong; Li, Chunrong","Iridium-catalyzed asymmetric ring-opening of azabicyclic alkenes with alcohols.","Organic & biomolecular chemistry","2013","11","29","4871","4881","10.1039/c3ob40891d","","","0.71073","MoKα","","0.2585","0.0813","","","0.1339","0.158","","","","","","1.003","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152971","11.338","0.002","7.9222","0.0017","22.498","0.005","90","","94.389","0.004","90","","2014.9","0.7","100","","100","","","","","","","","dimethylsulfoxid","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O4 S2 -","- C21 H22 N2 O4 S2 -","- C84 H88 N8 O16 S8 -","4","1","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","0.71073","Mo-Kα","","0.0513","0.0434","","","0.1124","0.1176","","","","","","1.101","","","","has coordinates","276357","2022-06-28","17:15:13",""
"7152972","10.3396","0.0003","11.1324","0.0003","18.123","0.0005","83.171","0.002","75.762","0.002","89.106","0.002","2007.42","0.1","100","","100","","","","","","","","dimethylsulfoxid","6","P -1","-P 1","2","","","","- C21 H22 Cl N3 O S -","- C21 H22 Cl N3 O S -","- C84 H88 Cl4 N12 O4 S4 -","4","2","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","1.54178","Cu-Kα","","0.0622","0.0414","","","0.0946","0.1051","","","","","","1.024","","","","has coordinates","276357","2022-06-28","17:15:13",""
"7152973","17.059","0.002","7.2199","0.0009","17.196","0.002","90","","99.489","0.002","90","","2089","0.4","100","","100","","","","","","","","dimethylsulfoxide","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N3 O S -","- C22 H27 N3 O S -","- C88 H108 N12 O4 S4 -","4","1","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","0.71073","Mo-Kα","","0.0851","0.0491","","","0.1164","0.1354","","","","","","1.011","","","","has coordinates","276357","2022-06-28","17:15:13",""
"7152974","13.886","0.0015","9.6705","0.001","15.6885","0.0016","90","","99.869","0.002","90","","2075.5","0.4","100","","100","","","","","","","","hexane,pentane,ethylacetate","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","1","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","0.71073","Mo-Kα","","0.0659","0.0462","","","0.1233","0.1384","","","","","","1.028","","","","has coordinates,has disorder","276357","2022-06-28","17:15:13",""
"7152975","12.541","0.003","13.299","0.003","33.259","0.009","91.05","0.007","93.994","0.007","117.167","0.007","4915","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H132 N22 O10 -","- C94 H132 N22 O10 -","- C188 H264 N44 O20 -","2","1","","Bose, Purnandhu; Dutta, Ranjan; Ghosh, Pradyut","Tris(2-aminoethyl)amine based tripodal urea receptors for oxalate: encapsulation of staggered vs. planar conformers.","Organic & biomolecular chemistry","2013","11","28","4581","4584","10.1039/c3ob41071d","","","0.71073","MoKα","","0.1143","0.0965","","","0.2751","0.2884","","","","","","1.149","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152976","13.761","0.005","14.036","0.005","25.22","0.009","90","","103.68","0.01","90","","4733","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H65 F4 N8 O5 -","- C44 H65 F4 N8 O5 -","- C176 H260 F16 N32 O20 -","4","1","","Bose, Purnandhu; Dutta, Ranjan; Ghosh, Pradyut","Tris(2-aminoethyl)amine based tripodal urea receptors for oxalate: encapsulation of staggered vs. planar conformers.","Organic & biomolecular chemistry","2013","11","28","4581","4584","10.1039/c3ob41071d","","","0.71073","MoKα","","0.1026","0.0783","","","0.2411","0.275","","","","","","1.063","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152977","8.9755","0.0009","6.9472","0.0005","9.1777","0.0009","90","","90.968","0.009","90","","572.19","0.09","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H11 Br Cl N O3 -","- C10 H11 Br Cl N O3 -","- C20 H22 Br2 Cl2 N2 O6 -","2","1","","Kubelka, Tomáš; Slavětínská, Lenka; Eigner, Václav; Hocek, Michal","Synthesis of 2,6-disubstituted pyridin-3-yl C-2'-deoxyribonucleosides through chemoselective transformations of bromo-chloropyridine C-nucleosides.","Organic & biomolecular chemistry","2013","11","28","4702","4718","10.1039/c3ob40774h","","","1.54184","CuKα","","0.0375","0.0358","","0.0436","0.0423","0.0423","","","","","","1.0181","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152978","11.7359","0.0008","5.5595","0.0004","12.5993","0.0009","90","","90.641","0.002","90","","822","0.1","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 N O3 S -","- C20 H17 N O3 S -","- C40 H34 N2 O6 S2 -","2","1","","Rout, Subhrajit; Ray, Sumit K.; Singh, Vinod K.","Enantioselective Mukaiyama-Michael with 2-enoyl pyridine N-oxides catalyzed by PYBOX-DIPH-Zn(ii)-complexes at ambient temperature.","Organic & biomolecular chemistry","2013","11","27","4537","4545","10.1039/c3ob40445e","","","","","","","","","","","","","","","","","","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152979","18.7511","0.0009","23.3396","0.0011","28.1926","0.0013","90","","90","","90","","12338.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-D-Pro-Ala-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl -alanyl-leucyl-phenylalanyl-valyl-methyl ester","","- C54 H78 N8 O12 -","- C54 H78 N8 O12 -","- C432 H624 N64 O96 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.2319","0.1208","","","0.2897","0.4029","","","","","","1.041","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152980","18.88","0.003","24.579","0.004","28.78","0.005","90","","90","","90","","13355","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-D-Pro-Ac6c-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-1-amino-1-cyclohexane- 1-oyl-leucyl-phenylalanyl-valyl-methyl ester monohydrate 1,4 dioxnae solvate","","- C58 H88 N8 O12.5 -","- C58 H88 N8 O12.5 -","- C464 H704 N64 O100 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2345","0.1249","","","0.2262","0.2884","","","","","","0.961","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152981","14.4028","0.0008","18.9623","0.0011","25.4903","0.0017","90","","105.674","0.004","90","","6702.8","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D- prolyl-prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H84 N8 O11.5 -","- C56 H84 N8 O11.5 -","- C224 H336 N32 O46 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.1599","0.0959","","","0.2251","0.2737","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152982","9.922","0.003","11.229","0.004","26.423","0.009","87.146","0.006","89.44","0.006","73.282","0.007","2815.9","1.6","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-Leu-Val-Val-D-Pro-Pro-Leu-Val-Val-OMe","t-Butyloxycarbonyl-leucyl-valyl-valyl-D-prolyl-prolyl-leucyl -valyl-valyl-methyl ester","","- C48 H84 N8 O11 -","- C48 H84 N8 O11 -","- C96 H168 N16 O22 -","2","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2671","0.1043","","","0.2187","0.2588","","","","","","0.904","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152983","18.41","0.02","23.22","0.03","19.24","0.03","90","","118.036","0.017","90","","7260","17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Aib-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-alpha -aminoisobutyryl-leucyl-phenylalanyl-valyl-methyl ester","","- C57 H88 N8 O12.5 -","- C57 H88 N8 O12.5 -","- C228 H352 N32 O50 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.265","0.1012","","","0.2061","0.309","","","","","","0.865","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152984","18.095","0.0004","23.0316","0.0005","18.6368","0.0005","90","","117.471","0.002","90","","6891.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Aib-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-alpha -aminoisobutyryl-leucyl-phenylalanyl-valyl-methyl ester","","- C55 H84 N8 O11.5 -","- C55 H84 N8 O11.5 -","- C220 H336 N32 O46 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.1721","0.0915","","","0.2096","0.2644","","","","","","0.985","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152985","19.086","0.004","26.216","0.005","28.015","0.006","90","","90","","90","","14018","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Tyr-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-tyrosinyl-valyl-D-prolyl- prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H83.5 N8 O13.5 -","- C56 H83.5 N8 O13.5 -","- C448 H668 N64 O108 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2101","0.0989","","","0.2064","0.2713","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152986","14.3184","0.0008","18.9924","0.0009","25.1569","0.0014","90","","105.59","0.004","90","","6589.5","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Tyr-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-tyrosinyl-valyl-D- prolyl-prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H83 N8 O13.5 -","- C56 H83 N8 O13.5 -","- C224 H332 N32 O54 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.2475","0.1249","","","0.2929","0.3664","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152987","8.6438","0.0003","7.4285","0.0002","8.7806","0.0004","90","","94.451","0.001","90","","562.11","0.04","293","2","293","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","","Rodier, Fabien; Parrain, Jean-Luc; Chouraqui, Gaëlle; Commeiras, Laurent","First studies directed towards the diastereoselective synthesis of the BCD tricyclic core of brownin F.","Organic & biomolecular chemistry","2013","11","25","4178","4185","10.1039/c3ob40363g","","x-ray","0.71073","MoKα","","0.0569","0.0434","","","0.1256","0.1548","","","","","","1.199","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152988","13.6639","0.0004","11.0259","0.0002","11.8705","0.0002","90","","106.134","0.001","90","","1717.94","0.07","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O7 -","- C18 H22 O7 -","- C72 H88 O28 -","4","1","","Rodier, Fabien; Parrain, Jean-Luc; Chouraqui, Gaëlle; Commeiras, Laurent","First studies directed towards the diastereoselective synthesis of the BCD tricyclic core of brownin F.","Organic & biomolecular chemistry","2013","11","25","4178","4185","10.1039/c3ob40363g","","x-ray","0.71073","MoKα","","0.1234","0.0645","","","0.17","0.2227","","","","","","1.139","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152989","6.8433","0.0018","18.424","0.005","20.221","0.005","90","","90","","90","","2549.5","1.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N3 O4 -","- C24 H40 N3 O4 -","- C96 H160 N12 O16 -","4","1","","Frantz, Marie-Céline; Skoda, Erin M.; Sacher, Joshua R.; Epperly, Michael W.; Goff, Julie P.; Greenberger, Joel S.; Wipf, Peter","Synthesis of analogs of the radiation mitigator JP4-039 and visualization of BODIPY derivatives in mitochondria.","Organic & biomolecular chemistry","2013","11","25","4147","4153","10.1039/c3ob40489g","","","0.71073","MoKα","","0.0707","0.0484","","","0.1258","0.1371","","","","","","1.1","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152990","17.9524","0.0003","6.2046","0.0001","14.3442","0.0002","90","","109.148","0.001","90","","1509.37","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F3 N3 O3 -","- C15 H14 F3 N3 O3 -","- C60 H56 F12 N12 O12 -","4","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0663","0.051","","","0.1278","0.1387","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152991","7.6951","0.0003","10.1134","0.0005","10.9054","0.0005","65.724","0.002","82.426","0.002","71.772","0.002","734.82","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F3 N3 O3 -","- C16 H14 F3 N3 O3 -","- C32 H28 F6 N6 O6 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0503","0.038","","","0.1056","0.1129","","","","","","1.041","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152992","8.6849","0.0007","9.3993","0.0004","10.0441","0.0004","115.546","0.002","101.079","0.002","98.711","0.003","700.09","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cl F2 N3 O3 -","- C15 H12 Cl F2 N3 O3 -","- C30 H24 Cl2 F4 N6 O6 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0487","0.0363","","","0.0995","0.1062","","","","","","1.052","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152993","12.2256","0.0008","6.8967","0.0004","12.7724","0.0008","90","","95.776","0.003","90","","1071.45","0.12","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H13 Cl3 F7 N3 O3 -","- C18 H13 Cl3 F7 N3 O3 -","- C36 H26 Cl6 F14 N6 O6 -","2","0.5","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0658","0.0478","","","0.1365","0.1491","","","","","","1.06","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152994","8.5186","0.0003","9.1302","0.0003","19.1613","0.0006","90","","96.867","0.001","90","","1479.61","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F3 N3 O2 -","- C16 H16 F3 N3 O2 -","- C64 H64 F12 N12 O8 -","4","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0428","0.0368","","","0.1077","0.1119","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152995","7.4835","0.0003","8.592","0.0003","11.4002","0.0004","92.445","0.002","104.16","0.002","93.761","0.002","707.9","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F3 N3 O3 -","- C16 H14 F3 N3 O3 -","- C32 H28 F6 N6 O6 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0472","0.039","","","0.1002","0.1053","","","","","","1.026","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152996","19.9679","0.0008","20.1167","0.0008","16.4722","0.0007","90","","111.103","0.002","90","","6172.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl F3 N3 O2 -","- C16 H13 Cl F3 N3 O2 -","- C256 H208 Cl16 F48 N48 O32 -","16","4","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0643","0.0418","","","0.1005","0.1095","","","","","","1.035","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152997","8.6107","0.0007","11.0873","0.001","11.3982","0.001","102.613","0.005","91.556","0.006","106.607","0.005","1012.95","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 F3 N3 O2 -","- C23 H22 F3 N3 O2 -","- C46 H44 F6 N6 O4 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0856","0.0495","","","0.1179","0.138","","","","","","1.012","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152998","18.9332","0.0007","7.6655","0.0002","27.1733","0.0011","90","","90.302","0.003","90","","3943.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Br N O5 -","- C22 H16 Br N O5 -","- C176 H128 Br8 N8 O40 -","8","1","","Chen, Lingzhu; Shen, Ruwei; Wu, Luling; Huang, Xian","Pd-catalyzed reaction of aryl halides and propargyl furylmethyl ethers: a novel pathway to functionalized dihydroisobenzofurans.","Organic & biomolecular chemistry","2013","11","35","5954","5962","10.1039/c3ob27503e","","","0.71073","MoKα","","0.0573","0.0381","","","0.0841","0.0931","","","","","","1.026","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152999","8.1105","0.0016","8.8677","0.0018","14.245","0.003","98.63","0.03","96.32","0.03","110.67","0.03","932.9","0.4","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl N3 O4 -","- C20 H22 Cl N3 O4 -","- C40 H44 Cl2 N6 O8 -","2","1","","Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.","The effect of the 4-amino functionality on the photophysical and DNA binding properties of alkyl-pyridinium derived 1,8-naphthalimides.","Organic & biomolecular chemistry","2013","11","34","5642","5655","10.1039/c3ob40370j","","","0.71073","MoKα","","0.073","0.0691","","","0.1633","0.1656","","","","","","1.22","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7153000","8.8081","0.0004","9.2489","0.0004","14.9085","0.0006","85.58","0.002","89.039","0.002","62.137","0.002","1070.27","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 F6 N3 O2 P -","- C22 H22 F6 N3 O2 P -","- C44 H44 F12 N6 O4 P2 -","2","1","","Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.","The effect of the 4-amino functionality on the photophysical and DNA binding properties of alkyl-pyridinium derived 1,8-naphthalimides.","Organic & biomolecular chemistry","2013","11","34","5642","5655","10.1039/c3ob40370j","","","1.54178","CuKα","","0.0521","0.0496","","","0.1445","0.1468","","","","","","1.074","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153001","8.1508","0.0005","17.5996","0.0011","28.8453","0.0018","90","","90","","90","","4137.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N -","- C25 H27 N -","- C200 H216 N8 -","8","2","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1132","0.0541","","","0.1127","0.1371","","","","","","1.009","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153002","9.2834","0.0009","17.7729","0.0016","12.4895","0.0011","90","","96.089","0.002","90","","2049.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 F N -","- C25 H26 F N -","- C100 H104 F4 N4 -","4","1","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.0778","0.0517","","","0.1213","0.1347","","","","","","1.036","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153003","14.282","0.002","13.625","0.002","11.116","0.002","90","","98.879","0.003","90","","2137.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F N -","- C25 H26 F N -","- C100 H104 F4 N4 -","4","1","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1816","0.0896","","","0.2297","0.279","","","","","","1.04","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153004","9.746","0.002","17.508","0.003","25.813","0.007","90","","90","","90","","4404.5","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C168 H200 N8 O24 -","8","2","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1699","0.0967","","","0.2539","0.3081","","","","","","1.023","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153005","10.771","0.004","12.902","0.005","14.467","0.006","114.478","0.005","91.822","0.006","107.997","0.005","1710.3","1.2","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H44 N2 O4 -","- C41 H26 N2 O4 -","- C82 H52 N4 O8 -","2","1","","Laughlin, Brynna J.; Duniho, Tyler L.; El Homsi, Samantha J.; Levy, Benjamin E.; Deligonul, Nihal; Gaffen, Joshua R.; Protasiewicz, John D.; Tennyson, Andrew G.; Smith, Rhett C.","Comparison of 1,4-distyrylfluorene and 1,4-distyrylbenzene analogues: synthesis, structure, electrochemistry and photophysics.","Organic & biomolecular chemistry","2013","11","33","5425","5434","10.1039/c3ob40580j","","","0.71073","MoKα","","0.2965","0.0969","","","0.2391","0.349","","","","","","0.916","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153006","31.617","0.008","15.289","0.003","14.801","0.003","90","","108.297","0.006","90","","6793","3","160","2","160","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C43 H50 -","- C43 H50 -","- C344 H400 -","8","1","","Laughlin, Brynna J.; Duniho, Tyler L.; El Homsi, Samantha J.; Levy, Benjamin E.; Deligonul, Nihal; Gaffen, Joshua R.; Protasiewicz, John D.; Tennyson, Andrew G.; Smith, Rhett C.","Comparison of 1,4-distyrylfluorene and 1,4-distyrylbenzene analogues: synthesis, structure, electrochemistry and photophysics.","Organic & biomolecular chemistry","2013","11","33","5425","5434","10.1039/c3ob40580j","","","0.71073","MoKα","","0.178","0.0682","","","0.1543","0.2268","","","","","","1.002","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153007","20.601","0.003","10.491","0.0013","24.723","0.006","90","","100.277","0.016","90","","5257.5","1.6","140","2","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound cone-2","","","- C51 H76 N6 O11 -","- C51 H76 N6 O11 -","- C204 H304 N24 O44 -","4","1","","Ni, Xin-Long; Jin, Cheng-Cheng; Jiang, Xue-Kai; Takimoto, Masashi; Rahman, Shofiur; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Tri-substituted hexahomotrioxacalix[3]arene derivatives bearing imidazole units: synthesis and extraction properties for cations and chromate anions.","Organic & biomolecular chemistry","2013","11","33","5435","5442","10.1039/c3ob40601f","","","0.71073","Mo-Kα","","0.1544","0.0584","","","0.0884","0.1097","","","","","","0.886","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153008","20.7295","0.0017","12.6213","0.0004","37.718","0.003","90","","100.908","0.006","90","","9690","1.2","140","2","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound partial-cone-2","","","- C51 H68 N6 O7 -","- C51 H68 N6 O7 -","- C408 H544 N48 O56 -","8","2","","Ni, Xin-Long; Jin, Cheng-Cheng; Jiang, Xue-Kai; Takimoto, Masashi; Rahman, Shofiur; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Tri-substituted hexahomotrioxacalix[3]arene derivatives bearing imidazole units: synthesis and extraction properties for cations and chromate anions.","Organic & biomolecular chemistry","2013","11","33","5435","5442","10.1039/c3ob40601f","","","0.71073","Mo-Kα","","0.1023","0.0508","","","0.0958","0.1087","","","","","","0.969","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153009","7.4467","0.0004","12.1591","0.0006","12.8432","0.0006","84.203","0.001","76.464","0.001","84.446","0.001","1121.59","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C54 H44 N4 O10 -","2","1","","Huang, Cheng-Mei; Jiang, Heng; Wang, Ru-Zhi; Quah, Ching Kheng; Fun, Hoong-Kun; Zhang, Yan","Photocycloadditions of substituted oxazoles with isoquinoline-1,3,4-trione-chemo-, regio-, diastereoselectivities and transformation of the photocycloadducts.","Organic & biomolecular chemistry","2013","11","30","5023","5033","10.1039/c3ob40645h","","","0.71073","MoKα","","0.0736","0.0466","","","0.1389","0.168","","","","","","1.046","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153010","6.8534","0.0005","9.4451","0.0005","9.3061","0.0006","90","","94.8","0.006","90","","600.28","0.07","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H18 O4 -","- C11 H18 O4 -","- C22 H36 O8 -","2","1","","Bihelovic, Filip; Karadzic, Ivanka; Matovic, Radomir; Saicic, Radomir N.","Total synthesis and biological evaluation of (-)-atrop-abyssomicin C.","Organic & biomolecular chemistry","2013","11","33","5413","5424","10.1039/c3ob40692j","","","0.71073","MoKα","","0.0584","0.0316","","","0.054","0.0581","","","","","","0.917","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153011","9.0851","0.0018","13.86","0.003","16.244","0.003","105.68","0.03","106.12","0.03","99.11","0.03","1830.7","0.9","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 N2 S6 -","- C40 H36 N2 S6 -","- C80 H72 N4 S12 -","2","1","","Zheng, Ningjuan; Li, Hongda; Sun, Guangyan; Zhong, Keli; Yin, Bingzhu","Synthesis and properties of T-shaped organic conjugates based on 3,6-diarylpyridazine-fused tetrathiafulvalene.","Organic & biomolecular chemistry","2013","11","31","5100","5108","10.1039/c3ob40704g","","","0.71073","MoKα","","0.3287","0.1892","","","0.5106","0.553","","","","","","1.424","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153012","14.734","0.003","8.0689","0.0016","25.063","0.005","90","","105.52","0.03","90","","2871","1.1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 S6 -","- C28 H28 N2 S6 -","- C112 H112 N8 S24 -","4","1","","Zheng, Ningjuan; Li, Hongda; Sun, Guangyan; Zhong, Keli; Yin, Bingzhu","Synthesis and properties of T-shaped organic conjugates based on 3,6-diarylpyridazine-fused tetrathiafulvalene.","Organic & biomolecular chemistry","2013","11","31","5100","5108","10.1039/c3ob40704g","","","0.71073","MoKα","","0.1132","0.0562","","","0.116","0.1396","","","","","","1.026","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153013","10.9436","0.0005","11.0673","0.0006","11.6719","0.0005","94.869","0.004","113.495","0.004","104.707","0.004","1226.08","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","(3aRS,6aRS)-6a-Hydroxy-2-(4-methylphenyl)-3a-[4-(4-methylphenyl)- 2H-1,2,3-triazol-2-yl]-3,5,6,6a-tetrahydropyrrolo[3,4-b]pyrrole-4(3H)-one","","- C26 H29 N5 O4 -","- C26 H29 N5 O4 -","- C52 H58 N10 O8 -","2","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","","0.7107","MoKα","Mo","0.0574","0.0458","","","0.1136","0.1232","","","","","","1.01","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153014","22.883","0.002","17.0326","0.0017","14.7571","0.0015","90","","124.209","0.002","90","","4756.6","0.8","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3aRS,6aRS)-5-Acetyl-6a-hydroxy-2-(4-methylphenyl)-3a-[4- -(4-methylphenyl)-2H-1,2,3-triazol-2-yl]-3,5,6,6a-tetrahydropyrrolo[3,4-b] pyrrol-4(3H)-one ethyl acetate solvate (1:1)","","- C26 H27 N5 O4 -","- C26 H27 N5 O4 -","- C208 H216 N40 O32 -","8","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","x-ray","0.71073","MoKα","K-L~3~","0.0925","0.0564","","","0.1507","0.1688","","","","","","1.024","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153015","11.2557","0.0003","7.9016","0.0002","21.4436","0.0006","90","","100.571","0.01","90","","1874.78","0.11","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3aRS,6aSR)-6a-Hydroxy-2-(4-methylphenyl)-3a-[4-(4-methylphenyl)- 1,2,3-triazol-2-yl]-6,6a-dihydro-3H-furo[3,4-b]pyrrol-4(3aH)-one","","- C22 H20 N4 O3 -","- C22 H20 N4 O3 -","- C88 H80 N16 O12 -","4","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","x-ray","0.71073","MOKα","K-L~3~","0.0659","0.0462","","","0.1201","0.1358","","","","","","1.056","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153016","26.87","0.0009","14.9778","0.0005","10.1263","0.0004","90","","102.53","0.02","90","","3978.3","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(5RS,9SR)-3-(4-methylphenyl)-9-[4-(4-methylphenyl)-1,2,3-triazol-2-yl]- 1,7-dioxa-4-azaspiro[4.4]non-3-en-8-one","","- C22 H20 N4 O3 -","- C22 H20 N4 O3 -","- C176 H160 N32 O24 -","8","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","x-ray","0.71073","MOKα","K-L~3~","0.0907","0.0553","","","0.1355","0.1551","","","","","","1.03","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153017","5.6971","0.0002","11.5145","0.0003","19.4201","0.0005","90","","90","","90","","1273.94","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.0292","0.0285","","","0.081","0.0823","","","","","","1.059","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153018","12.681","0.004","18.138","0.005","9.663","0.003","90","","96.551","0.007","90","","2208.1","1.2","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H28 O10 -","- C20 H28 O10 -","- C80 H112 O40 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.0565","0.0411","","","0.1033","0.1117","","","","","","1.031","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153019","10.298","0.004","11.735","0.005","22.178","0.009","90","","90","","90","","2680.1","1.9","110","2","110","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C27 H29 O8 -","- C27 H29 O8 -","- C108 H116 O32 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.1305","0.115","","","0.2318","0.2409","","","","","","1.196","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153020","12.3101","0.0017","8.8146","0.0013","14.675","0.002","90","","97.891","0.003","90","","1577.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl N2 O3 -","- C19 H13 Cl N2 O3 -","- C76 H52 Cl4 N8 O12 -","4","1","","Xia, Likai; Lee, Yong Rok","Efficient one-step synthesis of pyrrolo[3,4-c]quinoline-1,3-dione derivatives by organocatalytic cascade reactions of isatins and β-ketoamides.","Organic & biomolecular chemistry","2013","11","32","5254","5263","10.1039/c3ob40791h","","","0.71073","MoKα","","0.1194","0.0498","","","0.1131","0.1728","","","","","","1.079","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153021","8.6842","0.0005","8.7472","0.0006","18.5924","0.0013","90","","93.142","0.006","90","","1410.2","0.16","150","0.14","150","0.14","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","","","- C26 H41 N O5 Si -","- C26 H41 N O5 Si -","- C52 H82 N2 O10 Si2 -","2","1","","Paños, Julián; Díaz-Oltra, Santiago; Sánchez-Peris, María; García-Pla, Jorge; Murga, Juan; Falomir, Eva; Carda, Miguel; Redondo-Horcajo, Mariano; Díaz, J Fernando; Barasoain, Isabel; Marco, J. Alberto","Synthesis and biological evaluation of truncated α-tubulin-binding pironetin analogues lacking alkyl pendants in the side chain or the dihydropyrone ring.","Organic & biomolecular chemistry","2013","11","35","5809","5826","10.1039/c3ob40854j","","","1.54184","CuKα","","0.0862","0.0757","","","0.2339","0.2405","","","","","","1.147","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153022","16.8022","0.0002","14.5818","0.0002","19.7887","0.0003","90","","93.414","0.001","90","","4839.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H18 Br N O3 -","- C30 H18 Br N O3 -","- C240 H144 Br8 N8 O24 -","8","2","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.1141","0.0608","","","0.1638","0.2162","","","","","","0.796","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153023","8.8458","0.0002","27.2982","0.0006","15.4284","0.0003","90","","92.079","0.001","90","","3723.11","0.14","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Br Cl3 N O3 P -","- C36 H42 Br Cl3 N O3 P -","- C144 H168 Br4 Cl12 N4 O12 P4 -","4","1","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.1318","0.0712","","","0.1846","0.2346","","","","","","1.143","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153024","12.4196","0.0015","13.915","0.002","17.027","0.002","67.414","0.012","89.449","0.009","67.009","0.008","2466.7","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Br N O3 -","- C28 H22 Br N O3 -","- C112 H88 Br4 N4 O12 -","4","2","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.2041","0.0821","","","0.2058","0.2642","","","","","","0.975","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153025","16.6326","0.0007","18.9665","0.0008","9.2524","0.0004","90","","97.506","0.002","90","","2893.8","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Br2 O4 -","- C36 H22 Br2 O4 -","- C144 H88 Br8 O16 -","4","1","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.0803","0.0428","","","0.0825","0.0977","","","","","","1.005","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153026","15.05","0.005","8.96","0.003","21.187","0.007","90","","90","","90","","2857","1.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Annulated Coumarin","5,6-dihydro-4H-benzo[f]naptho[2,1-c]chromen-4-one","","- C21 H14 O2 -","- C21 H14 O2 -","- C168 H112 O16 -","8","1","","Goel, Atul; Taneja, Gaurav; Raghuvanshi, Ashutosh; Kant, Ruchir; Maulik, Prakas R.","Diversity-oriented general protocol for the synthesis of privileged oxygen scaffolds: pyrones, coumarins, benzocoumarins and naphthocoumarins.","Organic & biomolecular chemistry","2013","11","32","5239","5253","10.1039/c3ob40859k","","","0.71073","MoKα","","0.106","0.063","","","0.1501","0.204","","","","","","1.083","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153027","20.542","0.002","7.512","0.001","18.182","0.002","90","","109.593","0.001","90","","2643.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Benzofuran","3-amino-6,7-dichloro-5-hydroxybenzofuran-2,4-dicarbonitrile","","- C12 H6 Cl2 N4 O2 -","- C12 H6 Cl2 N4 O2 -","- C96 H48 Cl16 N32 O16 -","8","1","","Goel, Atul; Taneja, Gaurav; Raghuvanshi, Ashutosh; Kant, Ruchir; Maulik, Prakas R.","Diversity-oriented general protocol for the synthesis of privileged oxygen scaffolds: pyrones, coumarins, benzocoumarins and naphthocoumarins.","Organic & biomolecular chemistry","2013","11","32","5239","5253","10.1039/c3ob40859k","","","0.7107","MoKα","","0.1133","0.0594","","","0.1331","0.166","","","","","","0.993","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153028","6.8659","0.0002","18.4844","0.0005","11.9993","0.0004","90","","103.118","0.003","90","","1483.12","0.08","190","","190","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-phenyl-7-(phenylthio)-5H-pyrrolo[3,2-d]pyrimidine","","- C18 H13 N3 S -","- C18 H13 N3 S -","- C72 H52 N12 S4 -","4","1","","Klečka, Martin; Pohl, Radek; Cejka, Jan; Hocek, Michal","Direct C-H sulfenylation of purines and deazapurines.","Organic & biomolecular chemistry","2013","11","31","5189","5193","10.1039/c3ob40881g","","x-ray","1.54184","CuKα","","0.0408","0.0369","","0.0484","0.0467","0.0467","","","","","","1.0035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153029","5.9059","0.0003","13.568","0.0005","24.5309","0.0009","90","","91.499","0.004","90","","1965.02","0.14","190","","190","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-benzyl-4-phenyl-5-(phenylthio)-7H-pyrrolo[2,3-d]pyrimidine","","- C25 H19 N3 S -","- C25 H19 N3 S -","- C100 H76 N12 S4 -","4","1","","Klečka, Martin; Pohl, Radek; Cejka, Jan; Hocek, Michal","Direct C-H sulfenylation of purines and deazapurines.","Organic & biomolecular chemistry","2013","11","31","5189","5193","10.1039/c3ob40881g","","x-ray","1.54184","CuKα","","0.0463","0.0392","","0.0557","0.0502","0.0502","","","","","","1.0885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153030","5.1378","0.0003","6.7876","0.0004","32.299","0.0017","90","","90","","90","","1126.37","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","compound 5b","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Asta, Chimène; Schmidt, Dietmar; Conrad, Jürgen; Frey, Wolfgang; Beifuss, Uwe","Combination of enzyme- and Lewis acid-catalyzed reactions: a new method for the synthesis of 6,7-dihydrobenzofuran-4(5H)-ones starting from 2,5-dimethylfuran and 1,3-cyclohexanediones.","Organic & biomolecular chemistry","2013","11","34","5692","5701","10.1039/c3ob40926k","","","0.71073","MoKα","","0.0651","0.0521","","","0.1061","0.1102","","","","","","1.088","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153031","22.603","0.004","11.0296","0.0019","10.1777","0.0017","90","","90","","90","","2537.3","0.8","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","compound 5d","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","2","","Asta, Chimène; Schmidt, Dietmar; Conrad, Jürgen; Frey, Wolfgang; Beifuss, Uwe","Combination of enzyme- and Lewis acid-catalyzed reactions: a new method for the synthesis of 6,7-dihydrobenzofuran-4(5H)-ones starting from 2,5-dimethylfuran and 1,3-cyclohexanediones.","Organic & biomolecular chemistry","2013","11","34","5692","5701","10.1039/c3ob40926k","","","0.71073","MoKα","","0.1193","0.0606","","","0.1159","0.1283","","","","","","1.048","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153032","14.554","0.003","12.849","0.003","8.6466","0.0017","90","","90","","90","","1617","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H18 N O5 P -","- C15 H18 N O5 P -","- C60 H72 N4 O20 P4 -","4","0.5","","Cai, Yan; Lu, Yuchen; Yu, Chengbin; Lyu, Hairong; Miao, Zhiwei","Combined C-H functionalization/O-H insertion reaction to form tertiary β-alkoxy substituted β-aminophosphonates catalyzed by [Cu(MeCN)4]PF6.","Organic & biomolecular chemistry","2013","11","33","5491","5499","10.1039/c3ob40941d","","","0.71073","MoKα","","0.0616","0.0501","","","0.145","0.157","","","","","","1.054","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153033","11.2588","0.0001","11.763","0.0002","12.8358","0.0002","90","","90","","90","","1699.94","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C84 H100 N12 O8 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","1.54178","CuKα","","0.0344","0.0329","","","0.0849","0.0861","","","","","","1.068","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153034","8.047","0.0017","10.678","0.003","22.331","0.005","90","","90","","90","","1918.8","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O3 -","- C22 H29 N3 O3 -","- C88 H116 N12 O12 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","0.71073","MoKα","","0.0727","0.0628","","","0.1275","0.1319","","","","","","1.131","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153035","10.6567","0.0003","13.9156","0.0004","24.7451","0.0006","90","","90","","90","","3669.56","0.17","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 N3 O6 S -","- C41 H49 N3 O6 S -","- C164 H196 N12 O24 S4 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","1.54178","CuKα","","0.0336","0.0332","","","0.0921","0.0925","","","","","","1.045","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153036","38.342","0.003","38.342","0.003","5.7826","0.0004","90","","90","","90","","8501.1","1.1","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C400 H432 N16 O32 -","16","1","","Ye, Juntao; Li, Suhua; Ma, Shengming","Gorlos-phos: addressing the stereoselectivity in palladium-catalyzed exo-mode cyclization of allenes with a nucleophilic functionality.","Organic & biomolecular chemistry","2013","11","32","5370","5373","10.1039/c3ob40983j","","","0.71073","MoKα","","0.0705","0.0447","","","0.0868","0.0966","","","","","","1.077","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153037","13.9084","0.0018","5.9803","0.0008","22.981","0.003","90","","105.356","0.004","90","","1843.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Ye, Juntao; Li, Suhua; Ma, Shengming","Gorlos-phos: addressing the stereoselectivity in palladium-catalyzed exo-mode cyclization of allenes with a nucleophilic functionality.","Organic & biomolecular chemistry","2013","11","32","5370","5373","10.1039/c3ob40983j","","","0.71073","MoKα","","0.1043","0.0685","","","0.205","0.2462","","","","","","1.053","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153038","7.907","0.008","8.093","0.008","12.534","0.013","90","","101.397","0.009","90","","786.3","1.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Br N O5 -","- C16 H16 Br N O5 -","- C32 H32 Br2 N2 O10 -","2","1","","Liu, Luping; Zhang, Dekui; Zhang, Panpan; Jiang, Xianxing; Wang, Rui","Catalytic highly asymmetric 1,5(6)-selective cyclization reaction of α-hydroxyimino cyclic ketones: direct approach to ring-fused hydroxyimino dihydropyrans.","Organic & biomolecular chemistry","2013","11","32","5222","5225","10.1039/c3ob41001c","","","0.71073","MoKα","","0.0783","0.0489","","","0.1106","0.1218","","","","","","1.009","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153039","5.8473","0.0006","36.267","0.004","20.608","0.002","90","","92.22","0.004","90","","4366.9","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H23.5 Cl1.5 N5 -","- C24.5 H23.5 Cl1.5 N5 -","- C196 H188 Cl12 N40 -","8","2","","Feula, Antonio; Dhillon, Sundeep S.; Byravan, Rama; Sangha, Mandeep; Ebanks, Ronald; Hama Salih, Mariwan A.; Spencer, Neil; Male, Louise; Magyary, Istvan; Deng, Wei-Ping; Müller, Ferenc; Fossey, John S.","Synthesis of azetidines and pyrrolidines via iodocyclisation of homoallyl amines and exploration of activity in a zebrafish embryo assay.","Organic & biomolecular chemistry","2013","11","31","5083","5093","10.1039/c3ob41007b","","","0.71073","MoKα","","0.2538","0.138","","","0.2068","0.2569","","","","","","1.185","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153040","9.355","0.004","6.959","0.003","25.667","0.01","90","","94.226","0.006","90","","1666.4","1.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O4 -","- C20 H17 Cl O4 -","- C80 H68 Cl4 O16 -","4","1","","Wang, Ze-Dong; Wang, Feng; Li, Xin; Cheng, Jin-Pei","N-heterocyclic carbene catalyzed annulation of benzofuran-2,3-diones and enals: a concise synthesis of spiro-bis-lactone.","Organic & biomolecular chemistry","2013","11","34","5634","5641","10.1039/c3ob41028e","","","0.71073","MoKα","","0.0628","0.0417","","","0.0964","0.1092","","","","","","0.991","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153041","11.874","0.006","14.457","0.007","10.519","0.005","90","","108.21","0.008","90","","1715.3","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O4 -","- C20 H17 Cl O4 -","- C80 H68 Cl4 O16 -","4","1","","Wang, Ze-Dong; Wang, Feng; Li, Xin; Cheng, Jin-Pei","N-heterocyclic carbene catalyzed annulation of benzofuran-2,3-diones and enals: a concise synthesis of spiro-bis-lactone.","Organic & biomolecular chemistry","2013","11","34","5634","5641","10.1039/c3ob41028e","","","0.71073","MoKα","","0.0425","0.0317","","","0.0772","0.0792","","","","","","1.057","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153042","11.9471","0.0004","9.6297","0.0003","18.1609","0.0006","90","","93.81","0.003","90","","2084.74","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R/S,5R/S)-methyl 3-acetamido-5-(dimethylcarbamoyl)-6-methyl-2-(phenylcarbamoyl)- 2,3,4,5-tetrahydropyridazine-3-carboxylate","","- C19 H25 N5 O5 -","- C19 H25 N5 O5 -","- C76 H100 N20 O20 -","4","1","","Giorgi, Gianluca; Favi, Gianfranco; Attanasi, Orazio A.","Insights into diastereoisomeric characterization of tetrahydropyridazine amino acid derivatives: crystal structures and gas phase ion chemistry.","Organic & biomolecular chemistry","2013","11","30","5006","5011","10.1039/c3ob41034j","","","0.71073","MoKα","","0.095","0.0424","","","0.0874","0.0961","","","","","","0.813","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153043","16.0057","0.0007","9.0537","0.0003","18.9373","0.0007","90","","111.479","0.004","90","","2553.64","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R/S,5S/R)-methyl 3-acetamido-5-(dimethylcarbamoyl)-6-methyl-2-(phenylcarbamoyl)- 2,3,4,5-tetrahydropyridazine-3-carboxylate compound with ethyl acetate","","- C23 H33 N5 O7 -","- C23 H33 N5 O7 -","- C92 H132 N20 O28 -","4","1","","Giorgi, Gianluca; Favi, Gianfranco; Attanasi, Orazio A.","Insights into diastereoisomeric characterization of tetrahydropyridazine amino acid derivatives: crystal structures and gas phase ion chemistry.","Organic & biomolecular chemistry","2013","11","30","5006","5011","10.1039/c3ob41034j","","","0.71073","MoKα","","0.0991","0.0434","","","0.0931","0.1028","","","","","","0.809","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153044","10.3509","0.0006","11.7545","0.0007","15.0554","0.0009","90","","90","","90","","1831.79","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C80 H88 O12 S4 -","4","1","","Aitken, Harry R. M.; Furkert, Daniel P.; Hubert, Jonathan G.; Wood, James M.; Brimble, Margaret A.","Enantioselective access to benzannulated spiroketals using a chiral sulfoxide auxiliary.","Organic & biomolecular chemistry","2013","11","31","5147","5155","10.1039/c3ob41065j","","","0.71073","MoKα","","0.0483","0.0378","","","0.0793","0.084","","","","","","1.037","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153045","8.5909","0.0004","10.8998","0.0005","9.6997","0.0004","90","","104.215","0.003","90","","880.46","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C40 H44 O6 S2 -","2","1","","Aitken, Harry R. M.; Furkert, Daniel P.; Hubert, Jonathan G.; Wood, James M.; Brimble, Margaret A.","Enantioselective access to benzannulated spiroketals using a chiral sulfoxide auxiliary.","Organic & biomolecular chemistry","2013","11","31","5147","5155","10.1039/c3ob41065j","","","0.71073","MoKα","","0.0408","0.0355","","","0.0785","0.0818","","","","","","1.038","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153046","25.558","0.003","4.5239","0.0005","23.971","0.003","90","","120.647","0.002","90","","2384.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 N2 O -","- C16 H9 N2 O -","- C128 H72 N16 O8 -","8","1","","Nakhi, Ali; Rahman, Md Shafiqur; Seerapu, Guru Pavan Kumar; Banote, Rakesh Kumar; Kumar, Kummari Lalith; Kulkarni, Pushkar; Haldar, Devyani; Pal, Manojit","Transition metal free hydrolysis/cyclization strategy in a single pot: synthesis of fused furo N-heterocycles of pharmacological interest.","Organic & biomolecular chemistry","2013","11","30","4930","4934","10.1039/c3ob41069b","","","0.71073","MoKα","","0.0727","0.0545","","","0.1424","0.1561","","","","","","1.056","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153047","11.6871","0.0005","12.8055","0.0007","14.7108","0.0006","94.246","0.004","91.367","0.003","113.935","0.005","2003.25","0.18","119.8","","119.8","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H51 N O6 -","- C46 H51 N O6 -","- C92 H102 N2 O12 -","2","1","","Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Meta-arylation of calixarenes using organomercurial chemistry.","Organic & biomolecular chemistry","2013","11","33","5528","5534","10.1039/c3ob41085d","","x-ray","1.5418","CuKα","","0.0448","0.0372","","","0.1017","0.1076","","","","1.74","1.74","1.68","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153048","13.4473","0.0002","30.0322","0.0005","16.7673","0.0003","90","","92.7714","0.0014","90","","6763.59","0.19","190","","190","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C80 H94 O8 -","- C80 H94 O8 -","- C320 H376 O32 -","4","1","","Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Meta-arylation of calixarenes using organomercurial chemistry.","Organic & biomolecular chemistry","2013","11","33","5528","5534","10.1039/c3ob41085d","","","1.54184","CuKα","","0.066","0.0552","","0.1007","0.0948","0.1007","","","","","","0.9574","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153049","38.668","0.001","9.91309","0.00018","38.2857","0.0009","90","","99.843","0.002","90","","14459.6","0.6","170","","170","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 Cl Hg O4 -","- C40 H47 Cl Hg O4 -","- C640 H752 Cl16 Hg16 O64 -","16","2","","Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Meta-arylation of calixarenes using organomercurial chemistry.","Organic & biomolecular chemistry","2013","11","33","5528","5534","10.1039/c3ob41085d","","","1.5418","CuKα","","0.043","0.0407","","0.0944","0.0899","0.0944","","","","","","1.0165","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153050","28.7348","0.0014","5.8963","0.0002","23.3995","0.0008","90","","90.806","0.003","90","","3964.2","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C208 H160 N32 -","16","4","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","1.54184","CuKα","","0.1073","0.0784","","","0.2092","0.2275","","","","","","1.048","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153051","6.8922","0.0004","9.1653","0.0006","10.6422","0.0006","74.573","0.005","74.634","0.005","71.501","0.005","602.44","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","0.71073","MoKα","","0.0446","0.035","","","0.0948","0.0981","","","","","","1.092","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153052","11.2615","0.0009","7.2071","0.0006","16.8121","0.0015","90","","101.751","0.008","90","","1335.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl N2 O2 -","- C13 H15 Cl N2 O2 -","- C52 H60 Cl4 N8 O8 -","4","1","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","0.71073","MoKα","","0.0643","0.0393","","","0.0958","0.1002","","","","","","1.033","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153053","9.2369","0.0003","9.8428","0.0002","14.2265","0.0004","90","","103.321","0.003","90","","1258.63","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 I O2 -","- C15 H9 I O2 -","- C60 H36 I4 O8 -","4","1","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","0.71073","MoKα","","0.0194","0.0166","","","0.0396","0.0403","","","","","","1.048","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153054","8.228","0.0016","8.35","0.0017","15.938","0.003","90","","99.9","0.03","90","","1078.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N4 O6 S -","- C21 H24 N4 O6 S -","- C42 H48 N8 O12 S2 -","2","1","","Kim, Ki Tae; Kim, Hyun Woo; Moon, Dohyun; Rhee, Young Min; Kim, Byeang Hyean","(DNS)C: a fluorescent, environmentally sensitive cytidine derivative for the direct detection of GGG triad sequences.","Organic & biomolecular chemistry","2013","11","34","5605","5614","10.1039/c3ob41222a","","","0.72999","synchrotron","","0.0434","0.0385","","","0.1072","0.1091","","","","","","1.061","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153055","18.6107","0.0004","5.73338","0.00013","19.3766","0.0004","90","","113.408","0.008","90","","1897.37","0.13","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 Br O4 -","- C20 H23 Br O4 -","- C80 H92 Br4 O16 -","4","2","","Krishnamurthi, Janagiraman; Nambu, Hisanori; Takeda, Koji; Anada, Masahiro; Yamano, Akihito; Hashimoto, Shunichi","Enantioselective cycloaddition of carbonyl ylides with arylallenes using Rh2(S-TCPTTL)4.","Organic & biomolecular chemistry","2013","11","32","5374","5382","10.1039/c3ob41236a","","","1.54187","CuKα","","","0.0266","","","","0.0729","","","","","","1.122","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153056","11.8031","0.0006","12.1213","0.0006","14.0357","0.0007","91.493","0.001","113.899","0.001","111.558","0.001","1670.96","0.15","171","2","171","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 Cu F6 I N3 P -","- C35 H32 Cu F6 I N3 P -","- C70 H64 Cu2 F12 I2 N6 P2 -","2","1","","Saha, Manik Lal; Bats, Jan W.; Schmittel, Michael","Merging strong and weak coordination motifs in the integrative self-sorting of a 5-component trapezoid and scalene triangle.","Organic & biomolecular chemistry","2013","11","34","5592","5595","10.1039/c3ob41258j","","","0.71073","MoKα","","0.0431","0.0314","","","0.071","0.0754","","","","","","1.027","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153057","8.2718","0.0007","13.6799","0.0013","23.831","0.002","90","","90","","90","","2696.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 F2 N O7 S2 -","- C27 H25 F2 N O7 S2 -","- C108 H100 F8 N4 O28 S8 -","4","1","","Dou, Xiaowei; Lu, Yixin","Enantioselective conjugate addition of 3-fluoro-oxindoles to vinyl sulfone: an organocatalytic access to chiral 3-fluoro-3-substituted oxindoles.","Organic & biomolecular chemistry","2013","11","32","5217","5221","10.1039/c3ob41267a","","","0.71073","MoKα","","0.0458","0.0402","","","0.0883","0.091","","","","","","1.028","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153058","8.4338","0.0001","15.4596","0.0003","15.6357","0.0003","90","","90","","90","","2038.63","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","Mattson 1860","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C96 H88 N8 O20 -","4","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0469","0.0348","","","0.0715","0.0761","","","","","","1.066","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153059","8.2132","0.0001","8.738","0.0001","15.5338","0.0003","84.567","0.001","79.398","0.001","67.733","0.001","1013.69","0.03","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","Mattson 1934","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C48 H44 N4 O10 -","2","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0613","0.0419","","","0.1054","0.1171","","","","","","1.047","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153060","7.3566","0.0002","8.0059","0.0002","9.006","0.0002","65.624","0.001","71.772","0.002","81.292","0.002","458.74","0.02","150","2","150","2","","","","","","","synthesis as described","4","P 1","P 1","1","Mattson 1932","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","1","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0428","0.0367","","","0.0824","0.0863","","","","","","1.056","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153061","8.5784","0.00001","15.2797","0.0002","16.5909","0.0002","90","","90","","90","","2174.66","0.04","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","Mattson 1956","","","- C24 H21 Cl N2 O5 -","- C24 H21 Cl N2 O5 -","- C96 H84 Cl4 N8 O20 -","4","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0446","0.035","","","0.079","0.0838","","","","","","1.051","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153062","32.8531","0.0004","32.0553","0.0006","21.088","0.0003","90","","90","","90","","22208.1","0.6","150","2","150","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C56 H88 Cu4 Fe2 N4 P4 S4 -","- C56 H88 Cu4 Fe2 N4 P4 S4 -","- C672 H1056 Cu48 Fe24 N48 P48 S48 -","12","","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","A thiocyanato-bridged copper(i) cubane complex and its application in palladium-catalyzed Sonogashira coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12849","12852","10.1039/c3dt51196k","","","0.71073","MoKα","","0.0772","0.0466","","","0.1012","0.1225","","","","","","1.093","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153063","32.822","0.003","32.088","0.002","21.1255","0.0009","90","","90","","90","","22249","3","293","2","293","2","","","","","","","","7","A b a 2","A 2 -2ab","41","","","","- C56 H88 Cu4 Fe2 N4 P4 S4 -","- C56 H88 Cu4 Fe2 N4 P4 S4 -","- C672 H1056 Cu48 Fe24 N48 P48 S48 -","12","","","Trivedi, Manoj; Singh, Gurmeet; Kumar, Abhinav; Rath, Nigam P.","A thiocyanato-bridged copper(i) cubane complex and its application in palladium-catalyzed Sonogashira coupling of aryl halides.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","12849","12852","10.1039/c3dt51196k","","","0.71073","MoKα","","0.0913","0.0755","","","0.1298","0.1365","","","","","","1.119","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153064","15.8817","0.0011","5.825","0.0004","16.5782","0.0012","90","","117.321","0.002","90","","1362.58","0.17","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl N3 O -","- C16 H12 Cl N3 O -","- C64 H48 Cl4 N12 O4 -","4","1","","Dong, Jing-Jun; Li, Qing-Shan; Wang, Shu-Fu; Li, Cui-Yun; Zhao, Xin; Qiu, Han-Yue; Zhao, Meng-Yue; Zhu, Hai-Liang","Synthesis, biological evaluation and molecular docking of novel 5-phenyl-1H-pyrazol derivatives as potential BRAF(V600E) inhibitors.","Organic & biomolecular chemistry","2013","11","37","6328","6337","10.1039/c3ob40776d","","","0.71073","MoKα","","0.0629","0.0391","","","0.0959","0.1063","","","","","","1.033","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153065","10.1259","0.0011","11.1866","0.0013","15.4918","0.0017","102.087","0.002","91.163","0.002","105.935","0.002","1644.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 Cl12 N8 S2 -","- C66 H42 Cl12 N8 S2 -","- C66 H42 Cl12 N8 S2 -","1","0.5","","Ye, Qun; Chang, Jingjing; Huang, Kuo-Wei; Dai, Gaole; Chi, Chunyan","TCNQ-embedded heptacene and nonacene: synthesis, characterization and physical properties.","Organic & biomolecular chemistry","2013","11","37","6285","6291","10.1039/c3ob40796a","","","0.71073","MoKα","","0.0735","0.0535","","","0.1501","0.1632","","","","","","1.057","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153066","13.0937","0.0014","15.1874","0.0017","30.448","0.003","90","","98.319","0.003","90","","5991.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H30.5 Cl7.5 F12 N4 -","- C66.5 H30.5 Cl7.5 F12 N4 -","- C266 H122 Cl30 F48 N16 -","4","1","","Ye, Qun; Chang, Jingjing; Huang, Kuo-Wei; Dai, Gaole; Chi, Chunyan","TCNQ-embedded heptacene and nonacene: synthesis, characterization and physical properties.","Organic & biomolecular chemistry","2013","11","37","6285","6291","10.1039/c3ob40796a","","","0.71073","MoKα","","0.0973","0.0633","","","0.1644","0.185","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153067","9.401","0.005","10.6","0.006","10.8","0.006","107.79","0.006","95.207","0.007","106.667","0.007","962.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Br N0 O2 -","- C25 H17 Br O2 -","- C50 H34 Br2 O4 -","2","1","","Rao, Yin; Yin, Guodong","AgOTf-catalyzed reactions of naphthols/substituted phenols with 2-hydroxychalcones: facile synthesis of di-aromatic ring-fused [3.3.1]bicyclic compounds.","Organic & biomolecular chemistry","2013","11","36","6029","6035","10.1039/c3ob40860d","","","0.71073","MoKα","","0.0603","0.0472","","","0.1276","0.1352","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153068","13.5092","0.0005","8.1592","0.0003","19.6436","0.0008","90","","90","","90","","2165.2","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","t2-132","","","- C25 H22 F N5 O2 -","- C25 H22 F N5 O2 -","- C100 H88 F4 N20 O8 -","4","1","","Gunawan, Steven; Hulme, Christopher","Bifunctional building blocks in the Ugi-azide condensation reaction: a general strategy toward exploration of new molecular diversity.","Organic & biomolecular chemistry","2013","11","36","6036","6046","10.1039/c3ob40900g","","","0.71073","MoKα","","0.0431","0.0356","","","0.0835","0.0879","","","","","","1.024","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153069","11.6513","0.0011","10.1496","0.0009","14.4797","0.0014","90","","102.588","0.002","90","","1671.2","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C84 H72 O20 -","4","1","","Xia, Likai; Lee, Yong Rok","A novel and efficient synthesis of diverse dihydronaphtho[1,2-b]furans using the ceric ammonium nitrate-catalyzed formal [3 + 2] cycloaddition of 1,4-naphthoquinones to olefins and its application to furomollugin.","Organic & biomolecular chemistry","2013","11","36","6097","6107","10.1039/c3ob40977e","","","0.71073","MoKα","","0.1596","0.0622","","","0.1185","0.1716","","","","","","0.97","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153070","18.757","0.002","10.025","0.0013","19.754","0.003","90","","114.543","0.003","90","","3378.9","0.8","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C168 H144 O40 -","8","1","","Xia, Likai; Lee, Yong Rok","A novel and efficient synthesis of diverse dihydronaphtho[1,2-b]furans using the ceric ammonium nitrate-catalyzed formal [3 + 2] cycloaddition of 1,4-naphthoquinones to olefins and its application to furomollugin.","Organic & biomolecular chemistry","2013","11","36","6097","6107","10.1039/c3ob40977e","","","0.71073","MoKα","","0.1104","0.0501","","","0.1092","0.1676","","","","","","1.018","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153071","9.5013","0.0005","10.0576","0.0005","10.2659","0.0005","63.494","0.002","85.295","0.003","77.804","0.003","858","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Br N4 S -","- C19 H15 Br N4 S -","- C38 H30 Br2 N8 S2 -","2","1","","Lukmantara, Adeline Y.; Kalinowski, Danuta S.; Kumar, Naresh; Richardson, Des R.","Structure-activity studies of 4-phenyl-substituted 2'-benzoylpyridine thiosemicarbazones with potent and selective anti-tumour activity.","Organic & biomolecular chemistry","2013","11","37","6414","6425","10.1039/c3ob41109e","","","0.71073","MoKα","","0.0321","0.0247","","","0.0588","0.0621","","","","","","1.064","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153072","9.5261","0.0012","9.785","0.0011","11.566","0.002","101.101","0.006","106.02","0.006","115.357","0.004","874.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 S -","- C20 H18 N4 S -","- C40 H36 N8 S2 -","2","1","","Lukmantara, Adeline Y.; Kalinowski, Danuta S.; Kumar, Naresh; Richardson, Des R.","Structure-activity studies of 4-phenyl-substituted 2'-benzoylpyridine thiosemicarbazones with potent and selective anti-tumour activity.","Organic & biomolecular chemistry","2013","11","37","6414","6425","10.1039/c3ob41109e","","","0.71073","MoKα","","0.0808","0.0419","","","0.0832","0.096","","","","","","1.026","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153073","8.574","0.004","17.686","0.005","18.241","0.006","65.791","0.016","85.89","0.02","83.18","0.02","2504.1","1.6","100","2","100","2","","","","","","","Adolf Gogoll","5","P -1","-P 1","2","","","","- C53.15 H62.3 N2 O8.05 S2 -","- C53.15 H62.3 N2 O8.05 S2 -","- C106.3 H124.6 N4 O16.1 S4 -","2","1","","Norrehed, Sara; Erdélyi, Máté; Light, Mark E.; Gogoll, Adolf","Protonation-triggered conformational modulation of an N,N'-dialkylbispidine: first observation of the elusive boat-boat conformer.","Organic & biomolecular chemistry","2013","11","37","6292","6299","10.1039/c3ob41122b","","","0.71075","MoKα","","0.2367","0.156","","","0.3119","0.3626","","","","","","1.149","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153074","9.0618","0.0012","11.3801","0.0015","12.3091","0.0016","73.216","0.002","85.2965","0.0019","67.465","0.002","1121.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","","Song, Chuanling; Dong, Shuli; Feng, Lei; Peng, Xianglong; Wang, Mingchao; Wang, Jianwu; Xu, Zhenghu","Modular synthesis of all-substituted furans through oxidative carbonylation of cyclopropenes with tandem metal relay catalysis.","Organic & biomolecular chemistry","2013","11","37","6258","6262","10.1039/c3ob41155a","","","0.71073","MoKα","","0.0568","0.0396","","","0.0899","0.1012","","","","","","1.016","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153075","11.098","0.0005","6.7887","0.0004","15.8764","0.001","90","","98.064","0.005","90","","1184.32","0.12","296","1","296","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H24 N2 O S2 -","- C24 H24 N2 O S2 -","- C48 H48 N4 O2 S4 -","2","0.5","","Marco, A Belén; Andreu, Raquel; Franco, Santiago; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.; López Navarrete, Juan T; Casado, Juan","Push-pull systems bearing a quinoid/aromatic thieno[3,2-b]thiophene moiety: synthesis, ground state polarization and second-order nonlinear properties.","Organic & biomolecular chemistry","2013","11","37","6338","6349","10.1039/c3ob41278d","","","0.71073","MoKα","","0.0892","0.0552","","","0.1259","0.1458","","","","","","1.011","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153076","8.3982","0.0004","25.3341","0.0019","17.1667","0.0011","90","","97.599","0.005","90","","3620.3","0.4","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 S2 -","- C20 H17 N3 S2 -","- C160 H136 N24 S16 -","8","2","","Marco, A Belén; Andreu, Raquel; Franco, Santiago; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.; López Navarrete, Juan T; Casado, Juan","Push-pull systems bearing a quinoid/aromatic thieno[3,2-b]thiophene moiety: synthesis, ground state polarization and second-order nonlinear properties.","Organic & biomolecular chemistry","2013","11","37","6338","6349","10.1039/c3ob41278d","","","0.71073","MoKα","","0.1243","0.0654","","","0.1214","0.1487","","","","","","1.014","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153077","11.7899","0.0006","15.768","0.0007","15.298","0.0008","90","","90","","90","","2843.9","0.2","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","methyl 6-methyl-2-(6-methylpyridin-2-ylcarbamoyl)nicotinate","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C120 H120 N24 O24 -","8","2","","Gottschalk, Sven; Engelmann, Jörn; Rolla, Gabriele A.; Botta, Mauro; Parker, David; Mishra, Anurag","Comparative in vitro studies of MR imaging probes for metabotropic glutamate subtype-5 receptor targeting.","Organic & biomolecular chemistry","2013","11","36","6131","6141","10.1039/c3ob41297k","","","0.71073","MoKα","","0.0583","0.0422","","","0.1025","0.1198","","","","","","1.068","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153078","8.6627","0.0012","13.7443","0.0019","23.277","0.003","90","","90","","90","","2771.4","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O4 -","- C31 H36 N2 O4 -","- C124 H144 N8 O16 -","4","1","","Liu, Gang; Li, Jian; Qiu, Lin; Liu, Li; Xu, Guangyang; Ma, Bing; Sun, Jiangtao","Palladium-catalyzed carbenoid based N-H bond insertions: application to the synthesis of chiral α-amino esters.","Organic & biomolecular chemistry","2013","11","36","5998","6002","10.1039/c3ob41331d","","","0.71073","MoKα","","0.0611","0.0489","","","0.116","0.1232","","","","","","1.008","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153079","16.9366","0.0009","17.1465","0.0007","17.6534","0.0009","90","","109.578","0.006","90","","4830.2","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C240 H192 N32 -","16","2","","Tang, Meng; Zhang, Wen; Kong, Yuanfang","DABCO-promoted synthesis of pyrazoles from tosylhydrazones and nitroalkenes.","Organic & biomolecular chemistry","2013","11","37","6250","6254","10.1039/c3ob41435c","","","0.7107","MoKα","","0.0932","0.0552","","","0.1252","0.1504","","","","","","0.981","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153080","9.7691","0.0004","9.7691","0.0004","39.742","0.003","90","","90","","120","","3284.7","0.3","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C26 H21 Br N2 O2 -","- C26 H21 Br N2 O2 -","- C156 H126 Br6 N12 O12 -","6","1","","Zhang, Han-Ming; Lv, Hui; Ye, Song","N-Heterocyclic carbene-catalyzed highly enantioselective synthesis of substituted dihydropyranopyrazolones.","Organic & biomolecular chemistry","2013","11","37","6255","6257","10.1039/c3ob41455h","","","0.71073","MoKα","","0.0426","0.0393","","","0.0856","0.0872","","","","","","1.15","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153085","8.4737","0.0003","16.6247","0.0005","28.3411","0.0009","90","","93.637","0.002","90","","3984.4","0.2","135","0.1","135","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 N4 O5 -","- C21 H26 N4 O5 -","- C168 H208 N32 O40 -","8","1","","Li, Xianghui; Jia, Yiming; Ren, Yi; Wang, Youjia; Hu, Jinchuan; Ma, Teng; Feng, Wen; Yuan, Lihua","Quadruply hydrogen-bonded heteroduplexes based on imide and urea units arrayed with ADDA/DAAD sequences.","Organic & biomolecular chemistry","2013","11","40","6975","6983","10.1039/c3ob40998h","","","0.7107","MoKα","","0.0532","0.0405","","","0.0927","0.1014","","","","","","1.026","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153086","3.8013","0.0007","11.882","0.003","13.31","0.004","90","","90.41","0.03","90","","601.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F2 N2 -","- C16 H10 F2 N2 -","- C32 H20 F4 N4 -","2","0.5","","Chen, Zhengwang; Ye, Dongnai; Xu, Guohai; Ye, Min; Liu, Liangxian","Highly efficient synthesis of 2,5-disubstituted pyrazines from (Z)-β-haloenol acetates.","Organic & biomolecular chemistry","2013","11","39","6699","6702","10.1039/c3ob41164h","","","0.71073","MoKα","","0.1215","0.0599","","","0.1097","0.1392","","","","","","0.986","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153087","7.8405","0.0013","9.2163","0.0012","15.484","0.002","96.813","0.011","90.713","0.013","104.161","0.013","1076.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 N4 O -","- C29 H20 N4 O -","- C58 H40 N8 O2 -","2","1","","Berezin, Andrey A.; Constantinides, Christos P.; Mirallai, Styliana I.; Manoli, Maria; Cao, Levy L.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","Synthesis and properties of imidazolo-fused benzotriazinyl radicals.","Organic & biomolecular chemistry","2013","11","39","6780","6795","10.1039/c3ob41169a","","","1.54184","CuKα","","0.061","0.0471","","","0.1211","0.1323","","","","","","1.028","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153088","7.8924","0.0008","11.3721","0.0009","13.2802","0.0012","96.019","0.007","90.262","0.008","96.237","0.008","1178.2","0.19","100.05","0.1","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H22 N5 -","- C32 H22 N5 -","- C64 H44 N10 -","2","1","","Berezin, Andrey A.; Constantinides, Christos P.; Mirallai, Styliana I.; Manoli, Maria; Cao, Levy L.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","Synthesis and properties of imidazolo-fused benzotriazinyl radicals.","Organic & biomolecular chemistry","2013","11","39","6780","6795","10.1039/c3ob41169a","","","1.54184","CuKα","","0.0526","0.0452","","","0.1272","0.1357","","","","","","1.043","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153089","6.176","0.008","11.293","0.015","12.236","0.016","90","","90","","90","","853.4","1.9","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.1648","0.0787","","","0.1571","0.1937","","","","","","0.896","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153090","7.2458","0.0009","7.571","0.0009","34.793","0.004","90","","90","","90","","1908.7","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0502","0.0374","","","0.0804","0.0871","","","","","","1.039","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153091","6.2123","0.0008","14.7435","0.0019","20.723","0.003","90","","90","","90","","1898","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0407","0.0351","","","0.0822","0.0858","","","","","","1.029","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153092","6.9415","0.0009","13.2918","0.0017","10.6904","0.0014","90","","96.511","0.002","90","","980","0.2","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C48 H60 O6 -","2","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0401","0.0357","","","0.0873","0.0896","","","","","","1.487","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153093","8.6456","0.0003","20.4565","0.0005","9.964","0.0003","90","","105.672","0.004","90","","1696.71","0.09","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 I N O -","- C21 H14 I N O -","- C84 H56 I4 N4 O4 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0524","0.0308","","","0.0663","0.0699","","","","","","0.987","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153094","15.674","0.0011","8.2808","0.0006","28.5842","0.0019","90","","101.695","0.001","90","","3633","0.4","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Cl I N O -","- C21 H13 Cl I N O -","- C168 H104 Cl8 I8 N8 O8 -","8","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.033","0.0288","","","0.0751","0.0778","","","","","","1.052","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153095","31.568","0.005","5.7418","0.0008","23.028","0.003","90","","105.641","0.003","90","","4019.4","1","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 Cl F3 I N O -","- C22 H12 Cl F3 I N O -","- C176 H96 Cl8 F24 I8 N8 O8 -","8","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0748","0.037","","","0.073","0.0832","","","","","","0.979","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153096","6.8137","0.0003","10.3948","0.0005","24.8522","0.0012","90","","96.933","0.004","90","","1747.34","0.14","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 I N2 O3 -","- C19 H17 I N2 O3 -","- C76 H68 I4 N8 O12 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0732","0.07","","","0.1984","0.1996","","","","","","1.288","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153097","5.356","0.0002","11.4646","0.0007","15.8424","0.001","107.043","0.006","96.345","0.004","98.308","0.004","908.22","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 F3 I N O -","- C20 H17 F3 I N O -","- C40 H34 F6 I2 N2 O2 -","2","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0237","0.0201","","","0.048","0.0486","","","","","","1.013","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153098","6.6498","0.0004","20.2549","0.0011","14.0362","0.0008","90","","98.404","0.001","90","","1870.25","0.19","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I N2 O3 Si -","- C18 H17 I N2 O3 Si -","- C72 H68 I4 N8 O12 Si4 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0338","0.0276","","","0.0746","0.0786","","","","","","1.025","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153099","8.1298","0.0002","10.69","0.0003","11.1738","0.0003","80.375","0.002","87.307","0.002","73.916","0.002","919.94","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 F3 I N O -","- C22 H13 F3 I N O -","- C44 H26 F6 I2 N2 O2 -","2","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0299","0.0243","","","0.0599","0.0611","","","","","","0.994","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153100","31.297","0.003","8.1567","0.0007","18.7872","0.0016","90","","119.988","0.002","90","","4154","0.6","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N3 O3 -","- C26 H17 N3 O3 -","- C208 H136 N24 O24 -","8","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0748","0.0431","","","0.1128","0.1319","","","","","","1.009","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153101","12.0042","0.0003","14.4363","0.0003","12.433","0.0004","90","","106.177","0.003","90","","2069.28","0.1","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 O4 -","- C27 H18 N2 O4 -","- C108 H72 N8 O16 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.066","0.0364","","","0.0674","0.0698","","","","","","1.182","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153102","12.839","0.004","12.86","0.004","16.021","0.005","76.149","0.004","87.883","0.004","88.339","0.004","2566","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H74 Br6 Eu2 N6 O26 S2 -","- C76 H74 Br6 Eu2 N6 O26 S2 -","- C76 H74 Br6 Eu2 N6 O26 S2 -","1","0.5","","Yang, Yan-Ling; Wang, Ya-Wen; Duan, Dong-Zhu; Zhang, Ai-Jiang; Fang, Jian-Guo; Peng, Yu","Off-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.","Organic & biomolecular chemistry","2013","11","40","6960","6966","10.1039/c3ob41319e","","","0.71073","MoKα","","0.1028","0.0623","","","0.1417","0.1567","","","","","","0.932","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153103","12.838","0.002","12.867","0.002","16.039","0.003","76.149","0.002","87.85","0.002","88.362","0.002","2570.1","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H74 Br6 Gd2 N6 O26 S2 -","- C76 H74 Br6 Gd2 N6 O26 S2 -","- C76 H74 Br6 Gd2 N6 O26 S2 -","1","0.5","","Yang, Yan-Ling; Wang, Ya-Wen; Duan, Dong-Zhu; Zhang, Ai-Jiang; Fang, Jian-Guo; Peng, Yu","Off-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.","Organic & biomolecular chemistry","2013","11","40","6960","6966","10.1039/c3ob41319e","","","0.71073","MoKα","","0.0688","0.0443","","","0.0846","0.0907","","","","","","0.903","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153104","12.818","0.002","12.868","0.002","16.038","0.003","76.169","0.002","87.766","0.002","88.385","0.002","2566.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H74 Br6 N6 O26 S2 Tb2 -","- C76 H74 Br6 N6 O26 S2 Tb2 -","- C76 H74 Br6 N6 O26 S2 Tb2 -","1","0.5","","Yang, Yan-Ling; Wang, Ya-Wen; Duan, Dong-Zhu; Zhang, Ai-Jiang; Fang, Jian-Guo; Peng, Yu","Off-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.","Organic & biomolecular chemistry","2013","11","40","6960","6966","10.1039/c3ob41319e","","","0.71073","MoKα","","0.0674","0.0468","","","0.128","0.138","","","","","","0.858","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153105","9.1921","0.0013","14.0304","0.0018","9.0659","0.0013","90","","114.463","0.004","90","","1064.3","0.3","101","2","101","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Sanz, Xavier; Lee, Graham M.; Pubill-Ulldemolins, Cristina; Bonet, Amadeu; Gulyás, Henrik; Westcott, Stephen A.; Bo, Carles; Fernández, Elena","Metal-free borylative ring-opening of vinyl epoxides and aziridines.","Organic & biomolecular chemistry","2013","11","40","7004","7010","10.1039/c3ob41328d","","","0.71073","MoKα","","0.0627","0.0432","","","0.1009","0.1105","","","","","","1.041","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153106","6.1713","0.0001","12.5187","0.0003","19.7716","0.0005","90","","90","","90","","1527.49","0.06","150","","150","","","","","","","","total synthesis","4","P 2 21 21","P 2bc 2","18","","","","- C13 H18 N3 O6 -","- C13 H18 N3 O6 -","- C52 H72 N12 O24 -","4","1","","Glawar, Andreas F. G.; Jenkinson, Sarah F.; Newberry, Scott J.; Thompson, Amber L.; Nakagawa, Shinpei; Yoshihara, Akihide; Akimitsu, Kazuya; Izumori, Ken; Butters, Terry D.; Kato, Atsushi; Fleet, George W. J.","An approach to 8 stereoisomers of homonojirimycin from d-glucose via kinetic & thermodynamic azido-γ-lactones.","Organic & biomolecular chemistry","2013","11","40","6886","6899","10.1039/c3ob41334a","","","0.71073","MoKα","","0.0579","0.0395","","0.1036","0.0853","0.1036","","","","","","0.9854","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153107","7.36955","0.00008","8.40431","0.00011","24.1914","0.0003","90","","90","","90","","1498.32","0.03","150","","150","","","","","","","","total synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C52 H76 N12 O24 -","4","1","","Glawar, Andreas F. G.; Jenkinson, Sarah F.; Newberry, Scott J.; Thompson, Amber L.; Nakagawa, Shinpei; Yoshihara, Akihide; Akimitsu, Kazuya; Izumori, Ken; Butters, Terry D.; Kato, Atsushi; Fleet, George W. J.","An approach to 8 stereoisomers of homonojirimycin from d-glucose via kinetic & thermodynamic azido-γ-lactones.","Organic & biomolecular chemistry","2013","11","40","6886","6899","10.1039/c3ob41334a","","","1.54184","CuKα","","0.0246","0.024","","0.0623","0.0618","0.0623","","","","","","1.0121","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153108","9.6249","0.0018","9.9872","0.0019","26.39","0.005","90","","92.252","0.003","90","","2534.8","0.8","278","2","278","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl N6 O -","- C28 H25 Cl N6 O -","- C112 H100 Cl4 N24 O4 -","4","1","","Gordillo-Cruz, Raul E; Rentería-Gómez, Angel; Islas-Jácome, Alejandro; Cortes-García, Carlos J; Díaz-Cervantes, Erik; Robles, Juvencio; Gámez-Montaño, Rocío","Synthesis of 3-tetrazolylmethyl-azepino[4,5-b]indol-4-ones in two reaction steps: (Ugi-azide/N-acylation/SN2)/free radical cyclization and docking studies to a 5-Ht6 model.","Organic & biomolecular chemistry","2013","11","38","6470","6476","10.1039/c3ob41349g","","","0.71073","MoKα","","0.1875","0.0449","","","0.0416","0.0581","","","","","","0.736","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153109","14.1444","0.0014","15.9217","0.0016","16.094","0.0016","90","","112.638","0.002","90","","3345.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6.25 -","- C35 H38 Br N5 O6.125 -","- C140 H152 Br4 N20 O24.5 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.036","0.0316","","","0.0714","0.0872","","","","","","0.962","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153110","14.1383","0.0003","15.9256","0.0003","16.0775","0.0004","90","","112.556","0.001","90","","3343.11","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6.125 -","- C140 H152 Br4 N20 O24.5 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.031","0.0265","","","0.0602","0.0615","","","","","","1.044","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153111","11.2385","0.0014","9.231","0.0011","32.8","0.004","90","","99.779","0.002","90","","3353.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6 -","- C140 H152 Br4 N20 O24 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.0438","0.0402","","","0.0921","0.0942","","","","","","1.051","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153112","11.2356","0.0006","9.2098","0.0005","32.8244","0.0016","90","","99.774","0.002","90","","3347.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6 -","- C140 H152 Br4 N20 O24 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.0329","0.0271","","","0.0516","0.0529","","","","","","0.987","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153113","17.229","0.003","8.704","0.0009","12.324","0.0012","90","","103.236","0.002","90","","1799","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F3 N O -","- C22 H18 F3 N O -","- C88 H72 F12 N4 O4 -","4","1","","Liu, Xiao; Xu, Xianxiu; Pan, Ling; Zhang, Qian; Liu, Qun","Efficient synthesis of trifluoromethylated cyclopentadienes/fulvenes/norbornenes from divinyl ketones.","Organic & biomolecular chemistry","2013","11","39","6703","6706","10.1039/c3ob41400k","","","0.71069","MoKα","","0.1328","0.0564","","","0.137","0.1696","","","","","","1.005","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153114","8.8865","0.0005","9.3125","0.0003","10.946","0.0005","90.733","0.003","112.772","0.005","97.43","0.004","826.26","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C38 H34 N6 O6 -","2","1","","Day, Jonathan; Uroos, Maliha; Castledine, Richard A.; Lewis, William; McKeever-Abbas, Ben; Dowden, James","Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides.","Organic & biomolecular chemistry","2013","11","38","6502","6509","10.1039/c3ob41415a","","","1.54184","CuKα","","0.0371","0.0346","","","0.0883","0.0903","","","","","","1.052","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153115","8.5537","0.0012","9.056","0.0014","16.2097","0.0017","83.982","0.011","81.361","0.011","67.758","0.014","1147.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Br N2 O6 -","- C23 H27 Br N2 O6 -","- C46 H54 Br2 N4 O12 -","2","1","","Day, Jonathan; Uroos, Maliha; Castledine, Richard A.; Lewis, William; McKeever-Abbas, Ben; Dowden, James","Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides.","Organic & biomolecular chemistry","2013","11","38","6502","6509","10.1039/c3ob41415a","","","1.54184","CuKα","","0.1471","0.0804","","","0.1716","0.2241","","","","","","1.066","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153116","12.1265","0.0005","9.34","0.0003","21.7279","0.0007","90","","92.861","0.003","90","","2457.87","0.15","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N3 O6 S -","- C26 H25 N3 O6 S -","- C104 H100 N12 O24 S4 -","4","1","","Feng, Chengtao; Su, Ji-Hu; Yan, Yizhe; Guo, Fengfeng; Wang, Zhiyong","Cobalt-catalyzed oxidative [3 + 2] cycloaddition reactions: an efficient synthesis of pyrrolo- and imidazo-[2,1-a]isoquinolines.","Organic & biomolecular chemistry","2013","11","39","6691","6694","10.1039/c3ob41424h","","","0.71073","MoKα","","0.0838","0.0502","","","0.1073","0.1229","","","","","","1.023","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153117","7.7952","0.0016","13.733","0.003","21.171","0.004","90","","90","","90","","2266.4","0.8","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O5 S -","- C23 H22 Br N O5 S -","- C92 H88 Br4 N4 O20 S4 -","4","1","","Zou, Gong-Feng; Pan, Feng; Liao, Wei-Wei","Lewis base catalyzed asymmetric substitution/Diels-Alder cascade reaction: a rapid and efficient construction of enantioenriched diverse tricyclic heterocycles.","Organic & biomolecular chemistry","2013","11","41","7080","7083","10.1039/c3ob41454j","","","0.71073","MoKα","","0.0475","0.0357","","","0.087","0.0922","","","","","","1.039","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153118","17.9074","0.0018","12.6049","0.0012","17.3136","0.0017","90","","109.254","0.002","90","","3689.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F N O3 -","- C23 H18 F N O3 -","- C184 H144 F8 N8 O24 -","8","1","","Duan, Zhiqiang; Han, Jianlin; Qian, Ping; Zhang, Zirui; Wang, Yi; Pan, Yi","Enantioselective synthesis of 3-hydroxy oxindoles by ytterbium-catalysed decarboxylative addition of β-ketoacids to isatins.","Organic & biomolecular chemistry","2013","11","38","6456","6459","10.1039/c3ob41460d","","","0.71073","MoKα","","0.0769","0.0476","","","0.1064","0.1216","","","","","","1.034","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153119","5.8916","0.0004","9.9811","0.0006","14.272","0.0009","90","","90.639","0.001","90","","839.21","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sugar","","","- C13 H19 Cl3 O6 -","- C13 H19 Cl3 O6 -","- C26 H38 Cl6 O12 -","2","1","","Vangala, Madhuri; Dhokale, Snehal A.; Gawade, Rupesh L.; Pattuparambil, Rajamohanan R.; Puranik, Vedavati G.; Dhavale, Dilip D.","Sugar furanoid trans-vicinal diacid as a γ-turn inducer: synthesis and conformational study.","Organic & biomolecular chemistry","2013","11","40","6874","6878","10.1039/c3ob41462k","","","0.71073","MoKα","","0.0255","0.0253","","","0.0651","0.0653","","","","","","1.139","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153120","9.7965","0.0006","10.618","0.0007","21.199","0.001","90","","90","","90","","2205.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sugar","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C80 H104 N16 O24 -","4","1","","Vangala, Madhuri; Dhokale, Snehal A.; Gawade, Rupesh L.; Pattuparambil, Rajamohanan R.; Puranik, Vedavati G.; Dhavale, Dilip D.","Sugar furanoid trans-vicinal diacid as a γ-turn inducer: synthesis and conformational study.","Organic & biomolecular chemistry","2013","11","40","6874","6878","10.1039/c3ob41462k","","","0.71073","MoKα","","0.0564","0.0461","","","0.1064","0.1118","","","","","","1.063","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153121","11.245","0.002","12.063","0.003","13.951","0.003","90","","97.496","0.01","90","","1876.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh","Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.","Organic & biomolecular chemistry","2013","11","40","6984","6993","10.1039/c3ob41482e","","","0.71073","MoKα","","0.1416","0.046","","","0.0997","0.1303","","","","","","0.839","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153122","10.8852","0.0016","12.4799","0.0018","13.7493","0.0018","90","","103.481","0.005","90","","1816.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O4 -","- C23 H17 N O4 -","- C92 H68 N4 O16 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh","Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.","Organic & biomolecular chemistry","2013","11","40","6984","6993","10.1039/c3ob41482e","","","0.71073","MoKα","","0.0864","0.0513","","","0.1214","0.1388","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153123","6.7467","0.0004","12.811","0.0007","21.6174","0.0013","90","","90","","90","","1868.43","0.19","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh","Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.","Organic & biomolecular chemistry","2013","11","40","6984","6993","10.1039/c3ob41482e","","","0.71073","MoKα","","0.155","0.0706","","","0.154","0.1849","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153124","8.7505","0.0005","10.8915","0.0006","15.6217","0.0007","90","","90","","90","","1488.84","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H0 N8 O4 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Wang, Wenjing; Xue, Jijun; Tian, Tian; Jiao, Yingdong; Li, Ying","The first asymmetric total synthesis of (+)-coriandrone A and B.","Organic & biomolecular chemistry","2013","11","39","6686","6690","10.1039/c3ob41497c","","","0.7107","MoKα","","0.0648","0.0501","","","0.1048","0.1157","","","","","","1.08","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153125","11.574","0.0003","12.0274","0.0003","13.1839","0.0006","104.872","0.0001","101.801","0.002","107.204","0.0001","1614.37","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H45 N9 O6 -","- C24 H33 N9 O6 -","- C48 H66 N18 O12 -","2","1","","Rosien, Jan-Ruven; Seichter, Wilhelm; Mazik, Monika","Trimethoxybenzene- and trimethylbenzene-based compounds bearing imidazole, indole and pyrrole groups as recognition units: synthesis and evaluation of the binding properties towards carbohydrates.","Organic & biomolecular chemistry","2013","11","38","6569","6579","10.1039/c3ob41540f","","","0.71073","MoKα","","0.0885","0.0794","","","0.2213","0.2285","","","","","","1.146","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153126","11.3964","0.0009","7.3357","0.0006","20.4793","0.0007","90","","103.585","0.005","90","","1664.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H14 Br N O3 -","- C19 H14 Br N O3 -","- C76 H56 Br4 N4 O12 -","4","2","","Biswas, Soumen; Jaiswal, Pradeep Kumar; Singh, Shivendra; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed stereoselective synthesis of (E)-methyl-α-indol-2-yl-β-aryl/alkyl acrylates: easy access to substituted carbazoles, γ-carbolines and prenostodione.","Organic & biomolecular chemistry","2013","11","41","7084","7087","10.1039/c3ob41573b","","","0.71073","MoKα","","0.0988","0.0574","","","0.1295","0.1596","","","","","","1.026","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153127","9.3019","0.0005","16.7028","0.0018","20.7326","0.0014","90","","90","","90","","3221.2","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C152 H120 N8 O32 -","8","1","","Biswas, Soumen; Jaiswal, Pradeep Kumar; Singh, Shivendra; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed stereoselective synthesis of (E)-methyl-α-indol-2-yl-β-aryl/alkyl acrylates: easy access to substituted carbazoles, γ-carbolines and prenostodione.","Organic & biomolecular chemistry","2013","11","41","7084","7087","10.1039/c3ob41573b","","","0.71073","MoKα","","0.0743","0.0593","","","0.1613","0.1796","","","","","","1.062","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153128","11.82","0.003","8.1262","0.0018","18.945","0.003","90","","125.565","0.01","90","","1480.2","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Zou, Yong; Huang, Qi; Huang, Tong-Kun; Ni, Qing-Chun; Zhang, En-Sheng; Xu, Tian-Long; Yuan, Mu; Li, Jun","CuI/1,10-phen/PEG promoted decarboxylation of 2,3-diarylacrylic acids: synthesis of stilbenes under neutral and microwave conditions with an in situ generated recyclable catalyst.","Organic & biomolecular chemistry","2013","11","40","6967","6974","10.1039/c3ob41588k","","","0.71073","MoKα","","0.0667","0.0409","","","0.0981","0.1105","","","","","","1.034","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153129","6.6246","0.0016","8.867","0.003","9.748","0.003","107.355","0.007","91.179","0.005","95.669","0.007","543.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 I O -","- C12 H11 I O -","- C24 H22 I2 O2 -","2","1","","Gu, Xiangyong; Lu, Ping; Fan, Weigang; Li, Pixu; Yao, Yingming","Visible light photoredox atom transfer Ueno-Stork reaction.","Organic & biomolecular chemistry","2013","11","41","7088","7091","10.1039/c3ob41600c","","","0.7107","MoKα","","0.0406","0.0321","","","0.0765","0.082","","","","","","1.009","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153130","12.5002","0.0002","21.1067","0.0003","7.4487","0.0001","90","","105.576","0.002","90","","1893.08","0.05","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","1.54184","CuKα","","0.0496","0.0439","","","0.1238","0.1295","","","","","","1.036","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153131","9.0858","0.0003","10.4482","0.0004","17.2738","0.0005","90","","90","","90","","1639.81","0.1","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","0.71073","MoKα","","0.0679","0.0458","","","0.0882","0.098","","","","","","1.034","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153132","9.0802","0.0001","10.4402","0.0002","17.2659","0.0002","90","","90","","90","","1636.79","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","1.54184","CuKα","","0.0275","0.0269","","","0.0737","0.0744","","","","","","1.033","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153133","7.5297","0.0008","15.7552","0.0016","12.3971","0.0016","90","","94.664","0.01","90","","1465.8","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br N4 -","- C18 H14 Br N4 -","- C72 H56 Br4 N16 -","4","1","","Ramesh, Subburethinam; Kr Ghosh, Suman; Nagarajan, Rajagopal","Copper catalyzed synthesis of fused benzimidazolopyrazine derivatives via tandem benzimidazole formation/annulation of δ-alkynyl aldehyde.","Organic & biomolecular chemistry","2013","11","44","7712","7720","10.1039/c3ob41044g","","","0.71073","MoKα","","0.1224","0.0614","","","0.0654","0.0843","","","","","","0.974","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153134","7.928","0.002","16.966","0.005","12.302","0.004","90","","93.429","0.005","90","","1651.7","0.8","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","1","","Ramesh, Subburethinam; Kr Ghosh, Suman; Nagarajan, Rajagopal","Copper catalyzed synthesis of fused benzimidazolopyrazine derivatives via tandem benzimidazole formation/annulation of δ-alkynyl aldehyde.","Organic & biomolecular chemistry","2013","11","44","7712","7720","10.1039/c3ob41044g","","","0.71073","MoKα","","0.0513","0.0441","","","0.1103","0.1168","","","","","","1.044","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153135","18.482","0.003","24.976","0.004","14.268","0.002","90","","108.136","0.002","90","","6259","1.7","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N3 O0.5 -","- C20 H17 N3 O0.5 -","- C320 H272 N48 O8 -","16","2","","Ramesh, Subburethinam; Kr Ghosh, Suman; Nagarajan, Rajagopal","Copper catalyzed synthesis of fused benzimidazolopyrazine derivatives via tandem benzimidazole formation/annulation of δ-alkynyl aldehyde.","Organic & biomolecular chemistry","2013","11","44","7712","7720","10.1039/c3ob41044g","","","0.71073","MoKα","","0.1411","0.1048","","","0.3198","0.3499","","","","","","1.301","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153136","8.4365","0.0004","19.7096","0.0017","11.9702","0.0005","90","","91.556","0.003","90","","1989.7","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H62 F N3 O6 -","- C42 H62 F N3 O6 -","- C84 H124 F2 N6 O12 -","2","1","","Rosen, Christian B.; Hansen, Dennis J.; Gothelf, Kurt V.","Efficient colorimetric and fluorescent detection of fluoride in DMSO-water mixtures with arylaldoximes.","Organic & biomolecular chemistry","2013","11","45","7916","7922","10.1039/c3ob41078a","","","0.7107","MoKα","","0.041","0.0357","","","0.0798","0.083","","","","","","1.046","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153137","17.2054","0.0017","8.3014","0.0009","23.741","0.002","90","","96.687","0.004","90","","3367.8","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 F N3 O2 -","- C38 H54 F N3 O2 -","- C152 H216 F4 N12 O8 -","4","1","","Rosen, Christian B.; Hansen, Dennis J.; Gothelf, Kurt V.","Efficient colorimetric and fluorescent detection of fluoride in DMSO-water mixtures with arylaldoximes.","Organic & biomolecular chemistry","2013","11","45","7916","7922","10.1039/c3ob41078a","","","0.71073","MoKα","","0.1256","0.0568","","","0.1167","0.1418","","","","","","1.001","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153138","12.3869","0.0016","5.4576","0.0007","24.843","0.003","90","","101.217","0.002","90","","1647.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2,3-Dihydro-1H-benzo[g]pyrimido[1,2-a][1,8]naphthyridin-5-yl)(phenyl)methanone","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Zhang, Yi-Chuan; Liu, Zhi-Cheng; Yang, Rui; Zhang, Ji-Hong; Yan, Sheng-Jiao; Lin, Jun","Regioselective construction of 1,3-diazaheterocycle fused [1,2-a][1,8]naphthyridine derivatives via cascade reaction of quinolines with heterocyclic ketene aminals: a joint experimental-computational approach.","Organic & biomolecular chemistry","2013","11","42","7276","7288","10.1039/c3ob41200h","","","0.71073","MoKα","","0.0699","0.0436","","","0.119","0.1325","","","","","","1.062","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153139","9.598","0.002","16.561","0.003","13.354","0.003","90","","98.05","0.03","90","","2101.7","0.8","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O Se -","- C26 H24 N2 O Se -","- C104 H96 N8 O4 Se4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1979","0.062","","","0.1158","0.1581","","","","","","0.952","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153140","12.197","0.002","13.572","0.003","13.886","0.003","90","","110.67","0.03","90","","2150.7","0.9","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 S2 -","- C26 H24 N2 S2 -","- C104 H96 N8 S8 -","4","0.5","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1125","0.0523","","","0.1311","0.1814","","","","","","1.068","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153141","16.364","0.003","9.393","0.002","23.502","0.005","90","","103.82","0.03","90","","3507.8","1.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C88 H84 N2 O9 Se -","- C88 H84 N2 O9 Se -","- C176 H168 N4 O18 Se2 -","2","0.5","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1224","0.0739","","","0.1891","0.214","","","","","","1.184","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153142","16.387","0.003","9.477","0.002","23.828","0.005","90","","103.58","0.03","90","","3597","1.3","295","","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H42 N O4 S -","- C44 H42 N O4 S -","- C176 H168 N4 O16 S4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1038","0.0974","","","0.2276","0.2313","","","","","","1.025","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153143","9.339","0.002","16.111","0.003","15.343","0.003","90","","104.1","0.03","90","","2239","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 Se2 -","- C26 H24 N2 Se2 -","- C104 H96 N8 Se8 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1798","0.0608","","","0.1241","0.164","","","","","","0.935","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153144","10.8405","0.0007","9.3369","0.0004","23.9357","0.0016","90","","98.99","0.007","90","","2392.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Cl2 N2 O2 -","- C27 H26 Cl2 N2 O2 -","- C108 H104 Cl8 N8 O8 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.0881","0.0481","","","0.1264","0.1358","","","","","","0.927","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153145","16.458","0.003","9.484","0.002","23.761","0.005","90","","103.26","0.03","90","","3609.9","1.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H42 N O4 Se -","- C44 H42 N O4 Se -","- C176 H168 N4 O16 Se4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.0704","0.0617","","","0.1469","0.1518","","","","","","1.076","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153146","16.7348","0.001","9.889","0.0005","24.2605","0.0015","90","","100.045","0.006","90","","3953.3","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H43 Cl3 N4 O4 -","- C47 H43 Cl3 N4 O4 -","- C188 H172 Cl12 N16 O16 -","4","0.5","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1146","0.0714","","","0.1521","0.1681","","","","","","1.035","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153147","5.8968","0.0007","21.674","0.002","12.1696","0.0013","90","","103.342","0.002","90","","1513.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F3 O3 -","- C17 H15 F3 O3 -","- C68 H60 F12 O12 -","4","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","A synthesis of γ-trifluoromethyl α,β-unsaturated γ-butyrolactones using CF(3)SiMe(3) as a trifluoromethylating agent.","Organic & biomolecular chemistry","2013","11","38","6650","6658","10.1039/c3ob41247d","","","0.71073","MoKα","","0.1709","0.1027","","","0.1932","0.2251","","","","","","1.091","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153148","17.239","0.011","12.975","0.008","12.221","0.007","90","","134.379","0.01","90","","1954","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 F3 O3 -","- C10 H9 F3 O3 -","- C80 H72 F24 O24 -","8","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","A synthesis of γ-trifluoromethyl α,β-unsaturated γ-butyrolactones using CF(3)SiMe(3) as a trifluoromethylating agent.","Organic & biomolecular chemistry","2013","11","38","6650","6658","10.1039/c3ob41247d","","","0.71073","MoKα","","0.1909","0.1265","","","0.2795","0.2964","","","","","","0.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153149","11.177","0.0011","5.4737","0.0004","25.78","0.003","90","","100.299","0.009","90","","1551.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl N3 O2 -","- C17 H14 Cl N3 O2 -","- C68 H56 Cl4 N12 O8 -","4","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.1291","0.0599","","","0.1279","0.1575","","","","","","0.973","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153150","8.5356","0.0005","10.9149","0.0006","24.3049","0.0016","90","","95.72","0.006","90","","2253.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O3 S -","- C24 H26 N4 O3 S -","- C96 H104 N16 O12 S4 -","4","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.088","0.0669","","","0.1784","0.1956","","","","","","1.028","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153151","6.0255","0.0006","10.3665","0.0011","13.6263","0.0014","92.903","0.009","97.168","0.008","94.666","0.008","840.1","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N4 O4 -","- C18 H16 N4 O4 -","- C36 H32 N8 O8 -","2","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.0794","0.0549","","","0.1378","0.1525","","","","","","1.055","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153152","8.4958","0.0006","11.6503","0.0008","18.9628","0.0014","90","","94.116","0.001","90","","1872.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O3 S -","- C19 H20 N4 O3 S -","- C76 H80 N16 O12 S4 -","4","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.0519","0.0419","","","0.1218","0.1269","","","","","","1.073","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153153","10.8262","0.0003","12.7507","0.0004","14.1556","0.0004","86.54","0.001","68.923","0.002","65.63","0.002","1651.94","0.09","115","2","115","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 B N2 O6 -","- C39 H39 B N2 O6 -","- C78 H78 B2 N4 O12 -","2","1","","Brizet, Bertrand; Bernhard, Claire; Volkova, Yulia; Rousselin, Yoann; Harvey, Pierre D.; Goze, Christine; Denat, Franck","Boron functionalization of BODIPY by various alcohols and phenols.","Organic & biomolecular chemistry","2013","11","44","7729","7737","10.1039/c3ob41370e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0681","0.0521","","","0.1073","0.1172","","","","","","1.068","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153154","12.698","0.0006","16.1029","0.0009","19.8555","0.0009","90","","98.257","0.005","90","","4017.9","0.3","202","2","202","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Cl4 Fe N2 O2 -","- C37 H51 Cl3.97 Fe N2 O2 -","- C148 H204 Cl15.88 Fe4 N8 O8 -","4","1","","Xia, Chong-Liang; Xie, Cun-Fei; Wu, Yu-Feng; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Efficient cross-coupling of aryl Grignard reagents with alkyl halides by recyclable ionic iron(iii) complexes bearing a bis(phenol)-functionalized benzimidazolium cation.","Organic & biomolecular chemistry","2013","11","46","8135","8144","10.1039/c3ob41376d","","","0.71073","MoKα","","0.095","0.0667","","","0.1811","0.197","","","","","","1.055","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153155","10.364","0.003","11.468","0.003","19.427","0.005","93.341","0.002","99.459","0.006","115.939","0.006","2026","1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H51 Br4 Fe N2 O2 -","- C37 H51 Br4 Fe N2 O2 -","- C74 H102 Br8 Fe2 N4 O4 -","2","1","","Xia, Chong-Liang; Xie, Cun-Fei; Wu, Yu-Feng; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Efficient cross-coupling of aryl Grignard reagents with alkyl halides by recyclable ionic iron(iii) complexes bearing a bis(phenol)-functionalized benzimidazolium cation.","Organic & biomolecular chemistry","2013","11","46","8135","8144","10.1039/c3ob41376d","","","0.71075","MoKα","","0.1221","0.0743","","","0.1964","0.2254","","","","","","1.051","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153156","61.2255","0.0018","14.4227","0.0004","21.9788","0.0007","90","","105.993","0.001","90","","18656.9","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cl8 Cu4 N12 O14 -","- C72 H60 Cl6 Cu4 N12 O6 -","- C576 H480 Cl48 Cu32 N96 O48 -","8","1","","Bencini, Andrea; Caddeo, Francesco; Caltagirone, Claudia; Garau, Alessandra; Hurstouse, Mike B.; Isaia, Francesco; Lampis, Sandrina; Lippolis, Vito; Lopez, Francesco; Meli, Valeria; Monduzzi, Maura; Mostallino, Maria Cristina; Murgia, Sergio; Puccioni, Stefano; Schmidt, Judith; Secci, Pietro Paolo; Talmon, Yeshayahu","An OFF-ON chemosensor for biological and environmental applications: sensing Cd(2+) in water using catanionic vesicles and in living cells.","Organic & biomolecular chemistry","2013","11","44","7751","7759","10.1039/c3ob41420e","","","0.71073","MoKα","","0.153","0.0926","","","0.2389","0.2701","","","","","","1.067","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153157","9.2625","0.001","16.6193","0.0018","23.112","0.003","102.761","0.002","100.394","0.002","90.159","0.002","3409.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 Br O3 -","- C13 H9 Br O3 -","- C156 H108 Br12 O36 -","12","6","","Wei, Enxiang; Liu, Bing; Lin, Shaoxia; Zhao, Baozhong; Liang, Fushun","Halonium-initiated double oxa-cyclization cascade as a synthetic strategy for halogenated furo[3,2-c]pyran-4-ones.","Organic & biomolecular chemistry","2013","11","41","7212","7217","10.1039/c3ob41526k","","","0.71073","MoKα","","0.1202","0.0789","","","0.2051","0.2269","","","","","","1.026","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7153158","7.7331","0.0012","11.849","0.002","15.25","0.003","90","","102.274","0.008","90","","1365.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 F3 I O5 -","- C11 H12 F3 I O5 -","- C44 H48 F12 I4 O20 -","4","1","","Ponomarenko, Maxim V.; Lummer, Katrin; Fokin, Andrey A.; Serguchev, Yurii A.; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Preparations of SF5- and CF3-substituted arenes utilizing the 7-oxabicyclo[2.2.1]hept-2-ene synthones.","Organic & biomolecular chemistry","2013","11","46","8103","8112","10.1039/c3ob41560k","","","0.71073","MoKα","","0.036","0.0282","","","0.0708","0.0779","","","","","","1.024","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153159","6.337","0.003","10.385","0.005","15.832","0.008","96.304","0.011","90.56","0.011","99.26","0.011","1021.7","0.9","173","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 F5 O S -","- C10 H7 F5 O S -","- C40 H28 F20 O4 S4 -","4","2","","Ponomarenko, Maxim V.; Lummer, Katrin; Fokin, Andrey A.; Serguchev, Yurii A.; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Preparations of SF5- and CF3-substituted arenes utilizing the 7-oxabicyclo[2.2.1]hept-2-ene synthones.","Organic & biomolecular chemistry","2013","11","46","8103","8112","10.1039/c3ob41560k","","","0.71073","MoKα","","0.0888","0.0731","","","0.1952","0.206","","","","","","1.002","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153160","12.367","0.003","9.325","0.002","7.9104","0.0019","90","","96.64","0.013","90","","906.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F5 O S -","- C8 H7 F5 O S -","- C32 H28 F20 O4 S4 -","4","1","","Ponomarenko, Maxim V.; Lummer, Katrin; Fokin, Andrey A.; Serguchev, Yurii A.; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Preparations of SF5- and CF3-substituted arenes utilizing the 7-oxabicyclo[2.2.1]hept-2-ene synthones.","Organic & biomolecular chemistry","2013","11","46","8103","8112","10.1039/c3ob41560k","","","0.71073","MoKα","","0.0349","0.0313","","","0.0874","0.0911","","","","","","1.025","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153161","9.7943","0.0004","10.0856","0.0004","17.1604","0.0008","90","","90","","90","","1695.13","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2S)-hydroxy-2-(2-oxo-(4R),(6R)-diphenyl-1,3,2-dioxaphosphorinan-2-yl) acetate","","- C18 H19 O6 P -","- C18 H19 O6 P -","- C72 H76 O24 P4 -","4","1","","Schiessl, Katharina; Roller, Alexander; Hammerschmidt, Friedrich","Determination of absolute configuration of the phosphonic acid moiety of fosfazinomycins.","Organic & biomolecular chemistry","2013","11","42","7420","7426","10.1039/c3ob41574k","","","0.71073","MoKα","","0.0322","0.0295","","","0.0814","0.0837","","","","","","1.018","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153162","10.9242","0.0003","9.473","0.0003","18.5505","0.0006","90","","94.287","0.002","90","","1914.33","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl (2R)-hydroxy-2-(2-oxo-(4R),(6R)-diphenyl-1,3,2-dioxaphosphorinan-2-yl) acetate","","- C18.5 H20 Cl O6 P -","- C18.5 H20 Cl O6 P -","- C74 H80 Cl4 O24 P4 -","4","2","","Schiessl, Katharina; Roller, Alexander; Hammerschmidt, Friedrich","Determination of absolute configuration of the phosphonic acid moiety of fosfazinomycins.","Organic & biomolecular chemistry","2013","11","42","7420","7426","10.1039/c3ob41574k","","","0.71073","MoKα","","0.0413","0.035","","","0.0866","0.0907","","","","","","1.022","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153163","6.9679","0.0003","19.054","0.0009","7.6683","0.0004","90","","93.428","0.002","90","","1016.27","0.08","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C44 H48 N4 O12 -","2","1","","Chin, Jik; Kwon, Soon Ho; Moozeh, Kimia; So, Soon Mog; Lough, Alan J.; Kim, B. Moon","Stereospecific synthesis of a twinned alanine ester.","Organic & biomolecular chemistry","2013","11","46","8022","8025","10.1039/c3ob41582a","","","1.54178","CuKα","","0.0306","0.0305","","","0.0761","0.0763","","","","","","1.067","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153164","5.8605","0.0001","11.8631","0.0002","14.0648","0.0003","73.426","0.001","83.068","0.001","82.104","0.001","924.9","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N O5 -","- C21 H18 N O5 -","- C42 H36 N2 O10 -","2","1","","Bao, Yun-Hong; Zhu, Jia-Yi; Qin, Wen-Bing; Kong, Yu-Bo; Chen, Zheng-Wang; Tang, Shao-Bin; Liu, Liang-Xian","Cu(ii)-catalyzed highly regio- and stereoselective construction of C-C double bonds: an efficient method for the ketonization-olefination of indoles.","Organic & biomolecular chemistry","2013","11","45","7938","7945","10.1039/c3ob41589a","","","0.71073","MoKα","","0.0632","0.0527","","","0.1487","0.1598","","","","","","1.041","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153165","7.5669","0.0004","10.6356","0.0005","24.4275","0.0012","90","","97.345","0.002","90","","1949.76","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N2 O2 S2 -","- C22 H19 N O2 S2 -","- C88 H76 N4 O8 S8 -","4","1","","Prasad, Ch Durga; Kumar, Shailesh; Sattar, Moh; Adhikary, Amit; Kumar, Sangit","Metal free sulfenylation and bis-sulfenylation of indoles: persulfate mediated synthesis.","Organic & biomolecular chemistry","2013","11","46","8036","8040","10.1039/c3ob41601a","","","0.71073","MoKα","","0.0585","0.0419","","","0.1347","0.1476","","","","","","1.102","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153166","20.173","0.006","51.635","0.014","5.5236","0.0015","90","","90","","90","","5754","3","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H12 N2 O2 S -","- C15 H13 N2 O2 S -","- C240 H208 N32 O32 S16 -","16","1","","Prasad, Ch Durga; Kumar, Shailesh; Sattar, Moh; Adhikary, Amit; Kumar, Sangit","Metal free sulfenylation and bis-sulfenylation of indoles: persulfate mediated synthesis.","Organic & biomolecular chemistry","2013","11","46","8036","8040","10.1039/c3ob41601a","","","0.71073","MoKα","","0.2406","0.0752","","","0.1652","0.2192","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153167","8.6242","0.0006","14.6111","0.001","9.004","0.0006","90","","115.147","0.001","90","","1027.05","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methiodide of km1291","(N,N')-Bis-methyliodide adduct of (1S,2R)-2-(Methyl-pyridin-3-ylmethyl-amino)-1-phenyl-propan-1-ol","","- C18 H26 I2 N2 O -","- C18 H26 I2 N2 O -","- C36 H52 I4 N4 O2 -","2","1","","Vasiloiu, Maria; Leder, Sonja; Gaertner, Peter; Mereiter, Kurt; Bica, Katharina","Coordinating chiral ionic liquids.","Organic & biomolecular chemistry","2013","11","46","8092","8102","10.1039/c3ob41635f","","","0.71073","MoKα","","0.0211","0.0209","","","0.0523","0.0524","","","","","","1.041","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153168","10.2744","0.0009","10.3315","0.0009","20.5699","0.0017","103.339","0.002","93.337","0.002","91.687","0.002","2118.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 F3 N2 O2 S -","- C23 H17 F3 N2 O2 S -","- C92 H68 F12 N8 O8 S4 -","4","2","","Li, Yajun; Zhang, Lisi; Zhang, Li; Wu, Yongming; Gong, Yuefa","Cu-catalyzed tandem reactions of fluorinated alkynes with sulfonyl azides en route to 2-trifluoromethylquinolines.","Organic & biomolecular chemistry","2013","11","42","7267","7270","10.1039/c3ob41658e","","","0.71073","MoKα","","0.082","0.0516","","","0.1326","0.1494","","","","","","1.034","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153169","5.4244","0.0018","11.419","0.004","15.941","0.005","90","","99.108","0.013","90","","975","0.6","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","1","","Peng, Yu; Luo, Zhen-Biao; Zhang, Jian-Jian; Luo, Long; Wang, Ya-Wen","Collective synthesis of several 2,7'-cyclolignans and their correlation by chemical transformations.","Organic & biomolecular chemistry","2013","11","43","7574","7586","10.1039/c3ob41672k","","","0.71073","MoKα","","0.0773","0.0565","","","0.1355","0.1498","","","","","","0.993","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153170","8.1666","0.0008","12.3232","0.001","20.795","0.002","85.685","0.008","80.44","0.008","89.993","0.007","2057.7","0.3","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C44 H52 O13 -","- C44 H52 O13 -","- C88 H104 O26 -","2","1","","Peng, Yu; Luo, Zhen-Biao; Zhang, Jian-Jian; Luo, Long; Wang, Ya-Wen","Collective synthesis of several 2,7'-cyclolignans and their correlation by chemical transformations.","Organic & biomolecular chemistry","2013","11","43","7574","7586","10.1039/c3ob41672k","","","1.5418","CuKα","","0.1727","0.1125","","","0.2977","0.3393","","","","","","1.087","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153171","9.7403","0.0009","12.5649","0.0012","13.0243","0.0012","90.176","0.001","108.72","0.001","109.614","0.001","1411.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(trans, Z)-Diethyl 4-benzoyl-2-((4-bromophenyl)imino)-5- (4-chlorophenyl)dihydrothiophene-3,3 (2H)-dicarboxylate","","- C29 H25 Br Cl N O5 S -","- C29 H25 Br Cl N O5 S -","- C58 H50 Br2 Cl2 N2 O10 S2 -","2","1","","Sun, Yongxian; Yang, Gaosheng; Chai, Zhuo; Mu, Xiaolong; Chai, Jun","AlCl3-promoted [3 + 2] annulation of cis-2,3-disubstituted cyclopropane 1,1-diesters with isothiocyanates: stereoselective synthesis of densely substituted 2-iminodihydrothiophenes.","Organic & biomolecular chemistry","2013","11","45","7859","7868","10.1039/c3ob41678j","","","0.71073","MoKα","","0.1012","0.0719","","","0.2435","0.2769","","","","","","0.984","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153172","11.6091","0.0005","9.1582","0.0004","17.528","0.0007","90","","95.152","0.001","90","","1856.02","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","Li, Ke; Wang, Cheng; Yin, Gang; Gao, Shuanhu","Construction of the basic skeleton of ophiobolin A and variecolin.","Organic & biomolecular chemistry","2013","11","43","7550","7558","10.1039/c3ob41693c","","","0.71073","MoKα","","0.0776","0.0669","","","0.2032","0.2189","","","","","","1.076","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153173","6.8219","0.0002","9.1724","0.0004","9.3248","0.0004","88.1107","0.0017","79.4709","0.0016","80.956","0.002","566.52","0.04","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C26 H36 O6 -","2","1","","Fenlon, Thomas W.; Jones, Michael W.; Adlington, Robert M.; Lee, Victor","Synthesis of rac-Lindenene via a thermally induced cyclopropanation reaction.","Organic & biomolecular chemistry","2013","11","46","8026","8029","10.1039/c3ob41716f","","","0.71073","MoKα","","0.075","0.059","","0.1182","0.1057","0.1182","","","","","","1.0019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153174","11.514","0.0002","7.3456","0.0001","14.5121","0.0003","90","","113.285","0.0008","90","","1127.42","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Fenlon, Thomas W.; Jones, Michael W.; Adlington, Robert M.; Lee, Victor","Synthesis of rac-Lindenene via a thermally induced cyclopropanation reaction.","Organic & biomolecular chemistry","2013","11","46","8026","8029","10.1039/c3ob41716f","","","0.71073","MoKα","","0.0479","0.0375","","0.0924","0.0892","0.0872","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153175","4.979","0.005","10.064","0.011","19.859","0.019","90","","92.52","0.02","90","","994.1","1.8","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 F3 N3 O5 -","- C18 H22 F3 N3 O5 -","- C36 H44 F6 N6 O10 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.1283","","","","0.3614","","","","","","1.197","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153176","12.21","0.008","6.164","0.003","12.946","0.007","90","","99.737","0.012","90","","960.3","0.9","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C46 H44 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.034","","","","0.09","","","","","","0.977","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153177","19.58","0.02","5.868","0.005","19.289","0.017","90","","111.93","0.03","90","","2056","3","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C96 H96 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.0759","","","","0.2055","","","","","","1.031","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153178","10.185","0.007","8.422","0.005","12.404","0.008","90","","111.547","0.012","90","","989.6","1.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C48 H48 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.0613","","","","0.1758","","","","","","1.046","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153179","24.538","0.015","5.643","0.005","11.947","0.009","90","","95.19","0.02","90","","1647","2","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C72 H68 F12 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0695","","","","0.2148","","","","","","0.886","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153180","11.641","0.009","6.185","0.004","11.974","0.009","90","","104.942","0.018","90","","833","1","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C36 H34 F6 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0642","","","","0.1797","","","","","","1.074","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153181","7.735","0.002","14.242","0.004","16.353","0.004","90","","90","","90","","1801.5","0.8","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0412","","","","0.0989","","","","","","0.896","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153182","13.223","0.004","13.332","0.003","17.956","0.004","91.021","0.006","91.959","0.004","114.349","0.008","2880.4","1.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 F3 N2 O7 S -","- C28 H27 F3 N2 O7 S -","- C112 H108 F12 N8 O28 S4 -","4","2","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71073","MoKα","","0.0942","0.0635","","","0.1683","0.2151","","","","","","1.069","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153183","11.1187","0.0013","11.1187","0.0013","22.218","0.003","90","","90","","120","","2378.7","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 31 2 1","P 31 2""","152","","","","- C28 H46 Br2 Fe N2 O5 -","- C28 H46 Br2 Fe N2 O5 -","- C84 H138 Br6 Fe3 N6 O15 -","3","0.5","","Plancq, Baptiste; Lafantaisie, Mathieu; Companys, Simon; Maroun, Cendrella; Ollevier, Thierry","Highly enantioselective iron(ii)-catalyzed opening reaction of aromatic meso-epoxides with indoles.","Organic & biomolecular chemistry","2013","11","43","7463","7466","10.1039/c3ob41782d","","","1.54178","CuKα","","0.072","0.0383","","","0.0563","0.0605","","","","","","1.003","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153184","7.392","0.0011","10.7494","0.0015","25.7003","0.0012","90","","90","","90","","2042.1","0.4","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl F3 N3 O S2 -","- C18 H18 Cl F3 N3 O S2 -","- C72 H72 Cl4 F12 N12 O4 S8 -","4","1","","Mei, Haibo; Xie, Chen; Wu, Lingmin; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric Mannich reactions of imidazo[2,1-b]thiazole-derived nucleophiles with (SS)-N-tert-butanesulfinyl (3,3,3)-trifluoroacetaldimine.","Organic & biomolecular chemistry","2013","11","46","8018","8021","10.1039/c3ob41785a","","","0.71073","MoKα","","0.0459","0.0425","","","0.0974","0.0979","","","","","","1.066","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153185","15.619","0.002","5.927","0.0008","22.055","0.003","90","","101.129","0.002","90","","2003.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O4 S2 -","- C20 H23 N O4 S2 -","- C80 H92 N4 O16 S8 -","4","1","","Zhang, Lingjuan; Xu, Xianxiu; Shao, Qiu-Rong; Pan, Ling; Liu, Qun","Tandem Michael addition/isocyanide insertion into the C-C bond: a novel access to 2-acylpyrroles and medium-ring fused pyrroles.","Organic & biomolecular chemistry","2013","11","42","7393","7399","10.1039/c3ob41793j","","","0.71069","MoKα","","0.0805","0.0463","","","0.1023","0.1162","","","","","","1.018","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153186","12.208","0.005","6.102","0.003","13.056","0.005","90","","111.438","0.007","90","","905.3","0.7","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N O S -","- C18 H27 N O S -","- C36 H54 N2 O2 S2 -","2","1","","Bosque, Irene; Foubelo, Francisco; Gonzalez-Gomez, Jose C","A general protocol to afford enantioenriched linear homoprenylic amines.","Organic & biomolecular chemistry","2013","11","43","7507","7515","10.1039/c3ob41804a","","","0.71073","MoKα","","0.0476","0.0384","","","0.0785","0.0833","","","","","","1.003","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153187","13.458","0.003","15.458","0.003","18.938","0.004","90","","110.181","0.003","90","","3697.9","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Br2 N3 O4 -","- C35 H23 Br2 N3 O2 -","- C140 H92 Br8 N12 O8 -","4","1","","Gerten, Anthony L.; Slade, Michael C.; Pugh, Kelsie M.; Stanley, Levi M.","Catalytic, enantioselective 1,3-dipolar cycloadditions of nitrile imines with methyleneindolinones.","Organic & biomolecular chemistry","2013","11","45","7834","7837","10.1039/c3ob41815d","","","0.71073","MoKα","","0.103","0.0661","","","0.2089","0.2335","","","","","","1.06","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153188","11.6106","0.0002","12.5495","0.0002","18.7424","0.0004","90","","90","","90","","2730.9","0.09","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C33 H30 O6 -","- C33 H30 O6 -","- C132 H120 O24 -","4","1","","Rodrigo, Sanjeewa K.; Powell, Israel V.; Coleman, Michael G.; Krause, Jeanette A.; Guan, Hairong","Efficient and regioselective nickel-catalyzed [2 + 2 + 2] cyclotrimerization of ynoates and related alkynes.","Organic & biomolecular chemistry","2013","11","44","7653","7657","10.1039/c3ob41872c","","","1.54178","CuKα","","0.0539","0.053","","","0.146","0.147","","","","","","1.028","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153189","11.3776","0.0002","15.959","0.0003","26.0724","0.0004","90","","90","","90","","4734.1","0.14","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H24 O6 -","- C30 H24 O6 -","- C240 H192 O48 -","8","1","","Rodrigo, Sanjeewa K.; Powell, Israel V.; Coleman, Michael G.; Krause, Jeanette A.; Guan, Hairong","Efficient and regioselective nickel-catalyzed [2 + 2 + 2] cyclotrimerization of ynoates and related alkynes.","Organic & biomolecular chemistry","2013","11","44","7653","7657","10.1039/c3ob41872c","","","1.54178","CuKα","","0.0454","0.0362","","","0.0924","0.0988","","","","","","1.029","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153190","10.807","0.0004","10.807","0.0004","40.306","0.003","90","","90","","90","","4707.4","0.4","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H26 Br N3 O -","- C26 H26 Br N3 O -","- C208 H208 Br8 N24 O8 -","8","1","","Martínez-Muñoz, Aurora; Monge, David; Martín-Zamora, Eloísa; Marqués-López, Eugenia; Alvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M","Asymmetric organocatalytic Strecker-type reactions of aliphatic N,N-dialkylhydrazones.","Organic & biomolecular chemistry","2013","11","47","8247","8255","10.1039/c3ob41437j","","","0.71073","MoKα","","0.0492","0.0314","","","0.068","0.0741","","","","","","1.008","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153191","10.341","0.002","10.832","0.002","15.797","0.003","90","","100.2","0.03","90","","1741.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C76 H68 N4 O20 S4 -","4","1","","Zhang, Lei; Yu, Hao; Yang, Zhilin; Liu, Honglei; Li, Zhen; Guo, Junhong; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [3 + 2] cycloaddition of Morita-Baylis-Hillman carbonates with sulfamate-derived cyclic imines.","Organic & biomolecular chemistry","2013","11","47","8235","8240","10.1039/c3ob41651h","","","0.71073","MoKα","","0.0568","0.0531","","","0.151","0.1585","","","","","","1.226","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153192","13.3513","0.0016","13.8685","0.0018","14.6594","0.0016","109.672","0.003","99.92","0.003","95.891","0.004","2479.7","0.5","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H64 N2 -","- C60 H64 N2 -","- C120 H128 N4 -","2","1","","Hibi, Daijiro; Kitabayashi, Kenichi; Shimizu, Akihiro; Umeda, Rui; Tobe, Yoshito","Synthesis and physical properties of zethrene derivatives bearing donor/acceptor substituents at 7,14-positions.","Organic & biomolecular chemistry","2013","11","47","8256","8261","10.1039/c3ob41674g","","","0.71075","MoKα","","0.1486","0.0763","","","0.1936","0.2516","","","","","","0.98","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153193","7.981","0.0002","8.997","0.0002","19.1833","0.0005","78.855","0.002","84.93","0.002","88.715","0.002","1346.17","0.06","291","2","291","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H25 N5 O5 -","- C32 H25 N5 O5 -","- C64 H50 N10 O10 -","2","2","","Liu, Jing-Xin; Zhou, Qing-Qing; Deng, Jin-Gen; Chen, Ying-Chun","An asymmetric normal-electron-demand aza-Diels-Alder reaction via trienamine catalysis.","Organic & biomolecular chemistry","2013","11","47","8175","8178","10.1039/c3ob41698d","","","1.54184","CuKα","","0.0361","0.034","","","0.0928","0.0954","","","","","","1.031","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153194","13.319","0.003","16.518","0.004","17.359","0.004","101.304","0.003","95.454","0.003","113.008","0.003","3384.1","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H130 F24 N4 O20 P4 -","- C108 H130 F24 N4 O20 P4 -","- C108 H130 F24 N4 O20 P4 -","1","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.1317","0.1017","","","0.2564","0.2749","","","","","","1.327","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153195","15.192","0.003","23.492","0.005","21.641","0.004","90","","105.57","0.03","90","","7440","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C124 H126 Br4 F24 N4 O20 P4 -","- C124 H126 Br4 F24 N4 O20 P4 -","- C248 H252 Br8 F48 N8 O40 P8 -","2","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.24","0.2053","","","0.5146","0.5444","","","","","","1.866","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153196","13","0.003","30.563","0.006","15.58","0.003","90","","112.39","0.03","90","","5724","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H116 F24 N4 O24 P4 -","- C104 H116 F24 N4 O24 P4 -","- C208 H232 F48 N8 O48 P8 -","2","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.1528","0.1379","","","0.4134","0.4314","","","","","","1.743","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153197","13.353","0.003","14.777","0.003","19.768","0.004","106.3","0.03","101.9","0.03","90.79","0.03","3652.6","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H140 F24 N4 O20 P4 -","- C128 H140 F24 N4 O20 P4 -","- C128 H140 F24 N4 O20 P4 -","1","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.2028","0.1466","","","0.3529","0.3759","","","","","","1.592","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153198","8.32","0.01","28.09","0.03","7.621","0.009","90","","115.891","0.012","90","","1602","3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H16 N0 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","","Long, Lingliang; Zhou, Liping; Wang, Lin; Meng, Suci; Gong, Aihua; Du, Fengyi; Zhang, Chi","A coumarin-based fluorescent probe for biological thiols and its application for living cell imaging.","Organic & biomolecular chemistry","2013","11","47","8214","8220","10.1039/c3ob41741g","","","0.71073","MoKα","","0.0336","0.0308","","","0.0747","0.0768","","","","","","1.056","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153199","8.704","0.0003","10.8569","0.0003","11.589","0.0004","100.578","0.003","103.072","0.003","96.793","0.003","1033.93","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 F12 N4 O8 -","- C40 H34 F12 N4 O8 -","- C40 H34 F12 N4 O8 -","1","0.5","","de Aquino, Roney Anderson Nascimento; Modolo, Luzia Valentina; Alves, Rosemeire Brondi; de Fátima, Angelo","Synthesis, kinetic studies and molecular modeling of novel tacrine dimers as cholinesterase inhibitors.","Organic & biomolecular chemistry","2013","11","48","8395","8409","10.1039/c3ob41762j","","","0.71073","MoKα","","0.0773","0.0541","","","0.1299","0.1484","","","","","","1.038","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153200","9.7578","0.0002","11.2552","0.0003","11.8308","0.0003","115.403","0.002","97.181","0.002","106.9","0.002","1075.12","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 F12 N4 O8 -","- C46 H38 F12 N4 O8 -","- C46 H38 F12 N4 O8 -","1","0.5","","de Aquino, Roney Anderson Nascimento; Modolo, Luzia Valentina; Alves, Rosemeire Brondi; de Fátima, Angelo","Synthesis, kinetic studies and molecular modeling of novel tacrine dimers as cholinesterase inhibitors.","Organic & biomolecular chemistry","2013","11","48","8395","8409","10.1039/c3ob41762j","","","0.71073","MoKα","","0.0688","0.0493","","","0.1312","0.1412","","","","","","1.105","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153201","23.543","0.003","6.2775","0.0008","20.602","0.003","90","","114.078","0.002","90","","2779.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C120 H128 N32 O16 -","8","2","","Chen, Yunfeng; Zhou, Shilei; Ma, Shan; Liu, Wenqian; Pan, Zhiquan; Shi, Xiaodong","A facile synthesis of 5-amino-[1,2,3]triazolo[5,1-a]isoquinoline derivatives through copper-catalyzed cascade reactions.","Organic & biomolecular chemistry","2013","11","47","8171","8174","10.1039/c3ob41774c","","","0.71073","MoKα","","0.0543","0.0397","","","0.1154","0.1373","","","","","","1.046","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153202","7.2363","0.0014","8.068","0.0015","17.736","0.003","90","","113.78","0.007","90","","947.6","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N5 -","- C11 H7 N5 -","- C44 H28 N20 -","4","1","","Chen, Yunfeng; Zhou, Shilei; Ma, Shan; Liu, Wenqian; Pan, Zhiquan; Shi, Xiaodong","A facile synthesis of 5-amino-[1,2,3]triazolo[5,1-a]isoquinoline derivatives through copper-catalyzed cascade reactions.","Organic & biomolecular chemistry","2013","11","47","8171","8174","10.1039/c3ob41774c","","","0.71073","MoKα","","0.0758","0.0596","","","0.1295","0.137","","","","","","1.201","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153203","11.1418","0.0008","7.1748","0.0005","12.9148","0.001","90","","105.564","0.001","90","","994.55","0.13","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N3 O3 -","- C20 H20 Br N3 O3 -","- C40 H40 Br2 N6 O6 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0325","0.0297","","","0.0714","0.0725","","","","","","0.99","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153204","8.9732","0.0008","10.4292","0.0009","25.653","0.002","90","","90","","90","","2400.7","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C23 H32 N4 O5 -","- C23 H32 N4 O5 -","- C92 H128 N16 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1041","0.0502","","","0.1181","0.1394","","","","","","1.025","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153205","7.1599","0.0007","11.846","0.0011","25.16","0.002","90","","90","","90","","2134","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N3 O4 -","- C21 H22 Br N3 O4 -","- C84 H88 Br4 N12 O16 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1049","0.0749","","","0.1234","0.133","","","","","","1.203","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153206","11.016","0.005","7.612","0.003","12.92","0.005","90","","102.13","0.007","90","","1059.2","0.8","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H17 Br F3 N3 O3 -","- C20 H17 Br F3 N3 O3 -","- C40 H34 Br2 F6 N6 O6 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0887","0.0469","","","0.0815","0.0954","","","","","","0.985","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153207","12.842","0.0019","7.0231","0.001","13.3863","0.0019","90","","90.547","0.003","90","","1207.3","0.3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 Br N3 O4 -","- C23 H26 Br N3 O4 -","- C46 H52 Br2 N6 O8 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1592","0.1045","","","0.1381","0.1533","","","","","","1.203","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153208","8.547","0.005","9.694","0.005","22.943","0.012","90","","90","","90","","1900.9","1.8","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.049","0.0479","","","0.1241","0.1257","","","","","","1.042","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153209","10.6231","0.0007","10.9569","0.0007","19.528","0.0012","90","","90","","90","","2273","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C24 H28 N2 O5 -","- C24 H28 N2 O5 -","- C96 H112 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0507","0.0402","","","0.0897","0.0946","","","","","","1.066","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153210","8.111","0.002","9.756","0.002","20.126","0.006","90","","90","","90","","1592.6","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0405","0.0353","","","0.0796","0.0823","","","","","","1.031","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153211","7.4115","0.0004","16.548","0.0009","19.3577","0.0011","90","","90","","90","","2374.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C100 H136 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0464","0.0442","","","0.1039","0.1054","","","","","","1.09","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153212","8.3515","0.0008","9.6398","0.0009","22.979","0.002","90","","90","","90","","1850","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0527","0.043","","","0.1081","0.115","","","","","","1.062","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153213","8.173","0.005","13.001","0.008","17.35","0.011","90","","90","","90","","1844","2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0663","0.0488","","","0.1005","0.1084","","","","","","1.117","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7153214","9.7071","0.0002","11.1189","0.0002","18.7507","0.0003","81.223","0.001","76.878","0.001","72.985","0.001","1876.61","0.06","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H55 N O3 Si -","- C42 H55 N O3 Si -","- C84 H110 N2 O6 Si2 -","2","1","","Zhang, Yun-Xiao; Zhang, An-Qi; Tian, Jie-Sheng; Loh, Teck-Peng","Diastereoselective oxidative α-amination of aliphatic aldehydes catalyzed by iodine: synthesis of syn-γ-hydroxy-α-amino acetals.","Organic & biomolecular chemistry","2013","11","48","8387","8394","10.1039/c3ob42043d","","","0.71073","MoKα","","0.0461","0.0372","","","0.099","0.1094","","","","","","1.071","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153215","18.522","0.004","11.47","0.003","20.22","0.005","90","","90","","90","","4295.7","1.8","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H34 S4 -","- C20 H34 S4 -","- C160 H272 S32 -","8","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71073","MoKα","","0.0781","0.0467","","","0.1307","0.1693","","","","","","0.707","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153216","7.101","0.005","36.72","0.03","8.124","0.005","90","","97.633","0.015","90","","2100","3","125","","125","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H34 S4 -","- C20 H34 S4 -","- C80 H136 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0616","","","","0.2222","","","","","","1.163","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153217","23.528","0.007","9.944","0.003","10.012","0.004","90","","97.812","0.009","90","","2320.7","1.4","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 S4 -","- C22 H38 S4 -","- C88 H152 S16 -","4","0.5","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0358","","","","0.1309","","","","","","0.613","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153218","10.897","0.004","10.212","0.004","19.565","0.006","90","","96.714","0.009","90","","2162.3","1.3","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 S4 -","- C20 H36 S4 -","- C80 H144 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0503","","","","0.1212","","","","","","1.035","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153219","6.748","0.005","17.135","0.012","19.118","0.013","90","","92.551","0.019","90","","2208","3","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 S4 -","- C20 H36 S4 -","- C80 H144 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","1.54187","CuKα","","","0.1106","","","","0.3265","","","","","","1.061","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153220","12.281","0.004","11.346","0.004","17.065","0.006","90","","92.239","0.009","90","","2376","1.4","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 S4 -","- C22 H40 S4 -","- C88 H160 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0656","","","","0.2642","","","","","","0.807","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153221","23.971","0.008","9.904","0.003","9.922","0.003","90","","98.697","0.009","90","","2328.5","1.3","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 S4 -","- C22 H40 S4 -","- C88 H160 S16 -","4","0.5","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.045","","","","0.1126","","","","","","1.059","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153222","8.785","0.007","9.455","0.007","9.834","0.007","98.507","0.01","105.386","0.009","112.507","0.012","698.4","0.9","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H24 F4 -","- C14 H24 F4 -","- C28 H48 F8 -","2","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0914","","","","0.3114","","","","","","1.08","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153223","9.886","0.004","18.957","0.007","15.41","0.006","90","","102.154","0.014","90","","2823.2","1.9","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 F4 -","- C14 H24 F4 -","- C112 H192 F32 -","8","2","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","1.54187","CuKα","","","0.0524","","","","0.1564","","","","","","1.036","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153224","15.661","0.003","11.1268","0.0016","9.4295","0.0013","90","","94.714","0.005","90","","1637.6","0.5","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 F4 -","- C16 H28 F4 -","- C64 H112 F16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","1.54187","CuKα","","","0.0505","","","","0.1249","","","","","","1.217","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153225","8.9168","0.0016","21.949","0.004","9.1106","0.0018","90","","114.469","0.008","90","","1622.9","0.5","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 F4 -","- C16 H28 F4 -","- C64 H112 F16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0857","","","","0.2676","","","","","","1.024","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153758","10.979","0.004","10.814","0.004","16.912","0.006","90","","99.916","0.005","90","","1977.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","?acyl","4,5-dibromo-N-(3-(imidazo[1,2-a]pyrimidin-3-yl)-3-oxopropyl)-1H-pyrrole-2-carboxamide ?","","- C15 H12 Br2 Cl3 N5 O2 -","- C15 H12 Br2 Cl3 N5 O2 -","- C60 H48 Br8 Cl12 N20 O8 -","4","1","","Rasapalli, Sivappa; Kumbam, Venkatreddy; Dhawane, Abasaheb N.; Golen, James A.; Lovely, Carl J.; Rheingold, Arnold L.","Total syntheses of oroidin, hymenidin and clathrodin.","Organic & biomolecular chemistry","2013","11","25","4133","4137","10.1039/c3ob40668g","","","0.71073","MoKα","","0.0684","0.0449","","","0.0799","0.0899","","","","","","1.093","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153759","11.3351","0.0008","8.8693","0.0006","13.8303","0.0009","90","","97.095","0.001","90","","1379.77","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 F3 O9 -","- C29 H33 F3 O9 -","- C58 H66 F6 O18 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0544","0.0469","","","0.1194","0.1275","","","","","","1.02","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153760","13.0117","0.0008","8.5712","0.0005","20.0486","0.0012","90","","99.543","0.001","90","","2205","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H56 N2 O13 -","- C45 H56 N2 O13 -","- C90 H112 N4 O26 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0479","0.0405","","","0.1063","0.119","","","","","","1.061","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153761","12.9183","0.0017","8.5389","0.0012","19.772","0.003","90","","98.06","0.002","90","","2159.5","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H55 F N2 O12 -","- C45 H55 F N2 O12 -","- C90 H110 F2 N4 O24 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0639","0.0506","","","0.1101","0.121","","","","","","1.022","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153762","16.388","0.008","10.033","0.005","28.031","0.014","90","","92.717","0.006","90","","4604","4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H57 N O15 -","- C43 H53 N O14 -","- C172 H212 N4 O56 -","4","2","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.3611","0.1245","","","0.2904","0.3775","","","","","","1.167","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153763","8.9076","0.0005","9.0591","0.0005","17.7228","0.001","97.88","0.001","103.75","0.001","102.067","0.001","1331.93","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cs2 N2 O7 S -","- C22 H30 Cs2 N2 O7 S -","- C44 H60 Cs4 N4 O14 S2 -","2","1","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.0287","0.0233","","","0.0621","0.0723","","","","","","1.134","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153764","7.399","0.003","9.641","0.005","12.392","0.006","95.954","0.008","96.675","0.008","96.258","0.008","866.7","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 Br4 N4 -","- C36 H40 Br4 N4 -","- C36 H40 Br4 N4 -","1","0.5","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.1281","0.0966","","","0.2542","0.2815","","","","","","1.022","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153765","10.0192","0.0009","10.1213","0.0009","11.659","0.0011","110.849","0.002","103.926","0.002","103.909","0.002","1000.74","0.16","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","1","0.5","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.0693","0.0529","","","0.1359","0.1477","","","","","","1.022","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153766","13.997","0.004","13.997","0.004","23.804","0.006","90","","90","","90","","4664","2","120","","120","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C90 H106 Ag2 F6 N8 O23 S2 -","- C90 H104 Ag2 F6 N8 O23 S2 -","- C180 H208 Ag4 F12 N16 O46 S4 -","2","0.25","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.0721","0.056","","","0.1417","0.154","","","","","","1.118","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153767","9.835","0.0009","11.3859","0.0011","20.5315","0.0018","95.285","0.002","90.429","0.002","103.41","0.002","2225.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O2 S -","- C27 H25 N O2 S -","- C108 H100 N4 O8 S4 -","4","2","","Chen, Kai; Sun, Run; Xu, Qin; Wei, Yin; Shi, Min","Thermal induced intramolecular [2 + 2] cycloaddition of allene-ACPs.","Organic & biomolecular chemistry","2013","11","24","3949","3953","10.1039/c3ob40911b","","","0.71073","MoKα","","0.0676","0.0512","","","0.132","0.1452","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153768","17.295","0.002","9.6616","0.0013","29.081","0.004","90","","99.435","0.003","90","","4793.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl N O2 S -","- C27 H26 Cl N O2 S -","- C216 H208 Cl8 N8 O16 S8 -","8","2","","Chen, Kai; Sun, Run; Xu, Qin; Wei, Yin; Shi, Min","Thermal induced intramolecular [2 + 2] cycloaddition of allene-ACPs.","Organic & biomolecular chemistry","2013","11","24","3949","3953","10.1039/c3ob40911b","","","0.71073","MoKα","","0.0989","0.0609","","","0.1492","0.1733","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153769","9.222","0.001","10.052","0.0014","9.82","0.0012","90","","105.015","0.009","90","","879.23","0.19","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C38 H48 O8 -","2","1","","Miesch, Laurence; Welsch, Tania; Miesch, Michel","Stereoselective cross aldol condensation of bicyclo[3.2.0]alkanones.","Organic & biomolecular chemistry","2013","11","24","4025","4029","10.1039/c3ob40431e","","","0.71073","MoKα","","0.1163","0.0577","","","0.0884","0.1039","","","","","","1.02","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153770","10.901","0.003","5.9316","0.0018","30.312","0.009","90","","91.762","0.005","90","","1959.1","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl N4 O3 S -","- C21 H17 Cl N4 O3 S -","- C84 H68 Cl4 N16 O12 S4 -","4","1","","Niu, Xiaoyi; Yang, Bingchuan; Li, Yanqiu; Fang, Shuai; Huang, Zixiao; Xie, Caixia; Ma, Chen","A transition metal-free tandem process to pyridazinopyrido[3,2-f][1,4]thiazepine-diones via Smiles rearrangement.","Organic & biomolecular chemistry","2013","11","24","4102","4108","10.1039/c3ob40719e","","","0.71073","MoKα","","0.124","0.0558","","","0.1595","0.2185","","","","","","0.844","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7208856","5.2052","0.0006","12.6763","0.0017","19.107","0.003","90","","91.293","0.012","90","","1260.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Lithum Yttrium Barium Molybdate","Lithum Yttrium Barium Molybdate","","- Ba2 Li3 Mo8 O32 Y3 -","- Ba2 Li3 Mo8 O32 Y3 -","- Ba4 Li6 Mo16 O64 Y6 -","2","0.25","","Song, Mingjun; Zhou, Weiwei; Wu, Mingyan; Wang, Guofu","Structure, thermal and spectroscopic properties of Tm3±doped Li3Ba2Y3(MoO4)8 crystal as a promising candidate for 2 μm lasers","CrystEngComm","2013","15","1","168","","10.1039/c2ce25671a","","","0.71073","MoKα","","0.0447","0.0425","","","0.1109","0.1123","","","","","","1.19","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208857","9.8525","0.0019","10.375","0.002","13.982","0.003","72.383","0.003","89.789","0.002","80.764","0.003","1343","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N8 O2 -","- C32 H26 N8 O2 -","- C64 H52 N16 O4 -","2","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.0788","0.0546","","","0.1343","0.1509","","","","","","1.025","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208858","7.599","0.002","9.335","0.003","23.306","0.007","90","","97.817","0.005","90","","1637.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N4 O2 -","- C19 H16 N4 O2 -","- C76 H64 N16 O8 -","4","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.1358","0.079","","","0.1463","0.1699","","","","","","1.106","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208859","9.865","0.002","15.655","0.004","14.016","0.003","90","","101.089","0.003","90","","2124.2","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 N3 O -","- C12 H10 N3 O -","- C96 H80 N24 O8 -","8","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.085","0.0594","","","0.1398","0.1542","","","","","","1.069","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208860","7.352","0.002","9.03","0.003","9.219","0.003","116.322","0.004","93.538","0.004","108.236","0.004","506.4","0.3","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H10 N3 O -","- C12 H10 N3 O -","- C24 H20 N6 O2 -","2","1","","Hou, Gui-Ge; Zhao, Hui-Juan; Sun, Ju-Feng; Lin, Dong; Dai, Xian-Ping; Han, Jing-Tian; Zhao, Hui","Synthesis, structure and luminescence of Co-crystals with hexagonal channels: arranging disposition and π‒π interactions","CrystEngComm","2013","15","3","577","","10.1039/c2ce25759a","","","0.71073","MoKα","","0.0758","0.066","","","0.1693","0.178","","","","","","1.054","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208861","11.3946","0.0003","11.3946","0.0003","11.3946","0.0003","90","","90","","90","","1479.44","0.07","293","","293","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd12 Ni12 -","- Cd12 Ni12 -","- Cd48 Ni48 -","4","0.0208333","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0101","0.0095","","0.0294","0.0289","","","","1.21","1.2","1.2","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208862","19.722","0.0002","19.722","0.0002","19.722","0.0002","90","","90","","90","","7671.02","0.13","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd82.247 Ni14.486 -","- Cd82.208 Ni14.51 -","- Cd328.832 Ni58.04 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0432","0.0404","","0.1305","0.1284","","","","1.82","1.84","1.84","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208863","19.7145","0.0011","19.7145","0.0011","19.7145","0.0011","90","","90","","90","","7662.3","0.7","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd82.826 Ni13.378 -","- Cd82.79 Ni13.41 -","- Cd331.16 Ni53.64 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.045","0.0423","","0.1356","0.1337","","","","1.85","1.89","1.89","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208864","19.7356","0.0005","19.7356","0.0005","19.7356","0.0005","90","","90","","90","","7686.9","0.3","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd82.96 Ni13.252 -","- Cd82.908 Ni13.29 -","- Cd331.632 Ni53.16 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0476","0.0407","","0.1084","0.1058","","","","1.69","1.75","1.75","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208865","19.7384","","19.7384","","19.7384","","90","","90","","90","","7690.17","","293","","293","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cd83.144 Ni13.09 -","- Cd83.22 Ni13.06 -","- Cd332.88 Ni52.24 -","4","0.0416667","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0353","0.0344","","0.121","0.1203","","","","1.82","1.83","1.83","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208866","11.397","0.0004","11.397","0.0004","11.397","0.0004","90","","90","","90","","1480.37","0.09","293","","293","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd12.303 Ni11.697 -","- Cd12.304 Ni11.696 -","- Cd49.216 Ni46.784 -","4","0.0208333","","Jana, Partha Pratim; Lidin, Sven","Structures of NiCd6+δ (−0.32 ≤ δ ≤ 0.35) ‒ a γ-brass related phase, and NiCd1+δ (0 ≤ δ ≤ 0.05) ‒ a Ti2Ni type phase in the nickel‒cadmium system","CrystEngComm","2013","15","4","745","","10.1039/c2ce25982f","","x-ray","0.7107","","","0.0201","0.0192","","0.0642","0.0623","","","","1.2","1.18","1.18","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208867","32.365","0.004","32.365","0.004","32.365","0.004","90","","90","","90","","33902","7","173","2","173","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C10 H7 Cu0.5 N O3.5 -","- C10 H6 Cu0.5 N O3.5 -","- C480 H288 Cu24 N48 O168 -","48","1","","Rajput, Lalit; Kim, Dongwook; Lah, Myoung Soo","Conformational control of ligands to create a finite metal‒organic cluster and an extended metal‒organic framework","CrystEngComm","2013","15","2","259","","10.1039/c2ce26015h","","","0.71073","MoKα","","0.2465","0.1515","","","0.4379","0.4844","","","","","","1.341","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208868","41.121","0.008","20.457","0.004","39.436","0.008","90","","106.71","0.03","90","","31773","12","96","2","96","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C278 H328 N44 Ni14 O94 -","- C278 H328 N44 Ni14 O94 -","- C1112 H1312 N176 Ni56 O376 -","4","0.5","","Rajput, Lalit; Kim, Dongwook; Lah, Myoung Soo","Conformational control of ligands to create a finite metal‒organic cluster and an extended metal‒organic framework","CrystEngComm","2013","15","2","259","","10.1039/c2ce26015h","","","0.8","synchrotron","","0.0803","0.0643","","","0.1933","0.2031","","","","","","1.085","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"7208869","17.812","0.0018","15.4281","0.0016","16.3819","0.0017","90","","90","","90","","4501.8","0.8","298","2","298","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C16 H16 Cd2 N4 O9 -","- C16 H16 Cd2 N4 O9 -","- C128 H128 Cd16 N32 O72 -","8","1","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.1093","0.0775","","","0.2072","0.2389","","","","","","1.073","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208870","8.9597","0.0011","11.2586","0.0012","13.1658","0.0015","111.467","0.002","94.81","0.001","98.544","0.001","1208.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H27 Ag2 N6 O4 -","- C20 H27 Ag2 N6 O4 -","- C40 H54 Ag4 N12 O8 -","2","1","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.058","0.0338","","","0.0794","0.0967","","","","","","1.021","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208871","7.229","0.0007","8.9199","0.0009","9.3501","0.001","65.68","0.001","88.42","0.002","70.57","0.001","513.9","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20.5 N4 O12.25 Zn -","- C14 H20.52 N4 O12.25 Zn -","- C14 H20.52 N4 O12.25 Zn -","1","0.5","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0494","0.0407","","","0.1103","0.1143","","","","","","1.182","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208872","19.267","0.003","11.2198","0.0005","12.833","0.003","90","","127.52","0.03","90","","2200.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N2 O5 Zn -","- C8 H5 N2 O5 Zn -","- C64 H40 N16 O40 Zn8 -","8","1","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0368","0.0323","","","0.1183","0.1269","","","","","","1.027","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208873","8.2303","0.0002","10.7231","0.0003","11.1975","0.0003","90","","90","0.03","90","","988.23","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cd N4 O8 -","- C16 H18 Cd N4 O8 -","- C32 H36 Cd2 N8 O16 -","2","0.5","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.03","0.0263","","","0.0782","0.0833","","","","","","1.012","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208874","16.201","0.0003","16.201","0.0003","6.9121","0.0003","90","","90","","90","","1814.24","0.09","293","2","293","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C6 H6 Cd N2 O5 -","- C6 Cd N2 O5 -","- C48 Cd8 N16 O40 -","8","0.25","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0455","0.0405","","","0.1384","0.1422","","","","","","1.089","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208875","16.178","0.0002","16.178","0.0002","6.8377","0.0002","90","","90","","90","","1789.62","0.06","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C7 H8 Cd N2 O5 -","- C7 Cd N2 O5 -","- C56 Cd8 N16 O40 -","8","0.5","","Zhai, Quan-Guo; Zeng, Rong-Rong; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Alkyl substituents introduced into novel d10-metalimidazole-4,5-dicarboxylate frameworks: synthesis, structure diversities and photoluminescence properties","CrystEngComm","2013","15","5","965","","10.1039/c2ce26063h","","","0.71073","MoKα","","0.0572","0.045","","","0.1309","0.1378","","","","","","1.056","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208876","12.8722","0.0005","12.9237","0.0004","29.641","0.002","90","","90","","90","","4931","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H42 Cl22 Cu16 N6 -","- C18 H42 Cl22 Cu16 N6 -","- C72 H168 Cl88 Cu64 N24 -","4","1","","Williams, Edward R.; Weller, Mark T.","Hydrothermal synthesis and structural characterisation of [H2DABCO]3[Cu16Cl22]: a new copper(i) chloride framework","CrystEngComm","2013","15","1","31","","10.1039/c2ce26068a","","","0.71075","MoKα","","0.0659","0.0592","","","0.1379","0.1413","","","","","","1.13","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208877","23.8588","0.0012","18.6112","0.0009","8.4514","0.0005","90","","100.598","0.003","90","","3688.8","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 N6 O8 Pd Zn -","- C24 H30 N6 O8 Pd Zn -","- C96 H120 N24 O32 Pd4 Zn4 -","4","0.5","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","1.54178","CuKα","","0.0462","0.0424","","","0.1271","0.1312","","","","","","1.088","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208878","11.4952","0.0009","11.5504","0.0008","21.6426","0.0016","94.351","0.001","91.218","0.001","113.627","0.001","2620.9","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H65 Co N11 Ni2 O16 -","- C41 H59 Co N11 Ni2 O16 -","- C82 H118 Co2 N22 Ni4 O32 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0772","0.0519","","","0.1633","0.1947","","","","","","0.995","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208879","11.4505","0.0008","11.5123","0.0008","21.6191","0.0014","94.207","0.001","91.531","0.001","113.612","0.001","2599.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H65 N11 Ni3 O16 -","- C41 H59 N11 Ni3 O16 -","- C82 H118 N22 Ni6 O32 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0777","0.0569","","","0.178","0.1977","","","","","","1.081","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208880","11.4882","0.0008","11.5521","0.0008","21.6308","0.0016","94.361","0.001","91.317","0.001","113.584","0.001","2618.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H65 N11 Ni2 O16 Zn -","- C41 H63 N11 Ni2 O16 Zn -","- C82 H126 N22 Ni4 O32 Zn2 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0781","0.0492","","","0.1281","0.1527","","","","","","1.065","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208881","11.5109","0.0014","11.5916","0.0014","21.717","0.003","91.17","0.002","94.449","0.002","113.834","0.002","2638.3","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H71 N11 Ni O19 Zn2 -","- C41 H67 N11 Ni O19 Zn2 -","- C82 H134 N22 Ni2 O38 Zn4 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0585","0.0497","","","0.1532","0.1611","","","","","","1.066","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208882","11.5056","0.0008","11.6391","0.0008","21.8286","0.0015","91.695","0.001","94.3","0.001","113.432","0.001","2668.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H67 N11 O17 Zn3 -","- C41 H65 N11 O17 Zn3 -","- C82 H130 N22 O34 Zn6 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0689","0.0528","","","0.1707","0.1935","","","","","","1.081","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208883","13.8978","0.0008","15.0595","0.0009","15.5605","0.0009","90","","115.097","0.001","90","","2949.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cu N6 Ni O11 -","- C24 H36 Cu N6 Ni O11 -","- C96 H144 Cu4 N24 Ni4 O44 -","4","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0631","0.0362","","","0.0784","0.0867","","","","","","0.942","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208884","8.2345","0.0009","13.4315","0.0015","13.4515","0.0015","65.405","0.001","81.539","0.002","85.676","0.002","1337.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cu2 N6 O10 -","- C24 H34 Cu2 N6 O10 -","- C48 H68 Cu4 N12 O20 -","2","1","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0439","0.039","","","0.1399","0.1589","","","","","","1.146","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208885","9.706","0.004","10.184","0.004","10.607","0.004","62.712","0.004","85.47","0.005","69.691","0.004","869.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H50 Cu N6 Ni O18 -","- C24 H46 Cu N6 Ni O18 -","- C24 H46 Cu N6 Ni O18 -","1","0.5","","Huang, Sheng-Li; Zhang, Long; Lin, Yue-Jian; Jin, Guo-Xin","Discrepant gas adsorption in isostructural heterometallic coordination polymers: strong dependence of metal identity","CrystEngComm","2013","15","1","78","","10.1039/c2ce26072g","","","0.71073","MoKα","","0.0679","0.0648","","","0.1729","0.1773","","","","","","1.023","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208886","15.107","0.002","9.1347","0.0014","19.186","0.003","90","","100.09","0.002","90","","2606.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-aminopyridinium hemi(tetrafluoroborate)","","","- C10 H13 B F4 N4 -","- C10 H13 B F4 N4 -","- C80 H104 B8 F32 N32 -","8","2","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0817","0.0472","","","0.1077","0.1232","","","","","","1.043","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208887","6.604","0.001","6.604","0.001","31.614","0.01","90","","90","","90","","1378.8","0.5","100","2","100","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","4-aminopyridinium hemihexafluorphosphate","","","- C10 H13 F6 N4 P -","- C10 H13 F6 N4 P -","- C40 H52 F24 N16 P4 -","4","0.125","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0413","0.0347","","","0.0902","0.0967","","","","","","1.06","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208888","9.7157","0.0017","8.8484","0.0016","13.216","0.002","90","","95.285","0.002","90","","1131.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-Aminopyridinium hemichloride","","","- C10 H13 Cl N4 -","- C10 H13 Cl N4 -","- C40 H52 Cl4 N16 -","4","1","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0466","0.0359","","","0.0841","0.0914","","","","","","1.033","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208889","9.7699","0.0017","8.993","0.0015","13.46","0.002","90","","95.826","0.003","90","","1176.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4-aminopyridinium hemibromide","","","- C10 H13 Br N4 -","- C10 H13 Br N4 -","- C40 H52 Br4 N16 -","4","1","","Macksasitorn, Sarist; Hu, Yang; Stork, Jay R.","Homoconjugated 4-aminopyridine salts: influence of anions on network topology","CrystEngComm","2013","15","9","1698","","10.1039/c2ce26107c","","","0.71073","MoKα","","0.0402","0.0303","","","0.0781","0.0828","","","","","","1.037","","","","has coordinates,has disorder","180419","2020-10-21","18:00:00",""
"7208890","8.2553","0.0011","12.849","0.0016","3.888","0.0004","90","","90","","90","","412.41","0.09","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C6 H2 Cs2 O4 -","- C6 Cs2 O4 -","- C12 Cs4 O8 -","2","0.125","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.055","","","","0.1534","","","","","","1.102","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208891","3.9251","0.0001","11.2358","0.0003","8.3337","0.0002","90","","102.757","0.003","90","","358.457","0.016","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 K2 O4 -","- C6 H2 K2 O4 -","- C12 H4 K4 O8 -","2","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0294","","","","0.0845","","","","","","1.119","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208892","15.9708","0.0007","6.4417","0.0002","7.9093","0.0003","90","","116.462","0.005","90","","728.45","0.06","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H6 Li2 O6 -","- C6 H6 Li2 O6 -","- C24 H24 Li8 O24 -","4","0.5","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0363","","","","0.1084","","","","","","1.081","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208893","8.2507","0.0009","12.4085","0.0013","7.0259","0.0012","90","","90","","90","","719.3","0.16","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C6 H10 N2 O4 -","- C6 H10 N2 O4 -","- C24 H40 N8 O16 -","4","0.25","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0569","","","","0.1873","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208894","8.1716","0.0004","12.468","0.0005","7.2307","0.0003","90","","90","","90","","736.69","0.06","293","2","293","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C6 H2 O4 Rb2 -","- C6 H2 O4 Rb2 -","- C24 H8 O16 Rb8 -","4","0.25","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Babić, Darko; Stare, Jernej","Face-to-face stacking of dianionic quinoid rings in crystals of alkali salts of 2,5-dihydroxyquinone in view of π-system polarization","CrystEngComm","2013","15","1","135","","10.1039/c2ce26119g","","x-ray","1.54179","CuKα","","","0.0433","","","","0.1216","","","","","","1.13","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7208895","6.86","0.002","7.368","0.002","18.967","0.005","90","","109.738","0.009","90","","902.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.1331","0.0696","","","0.168","0.2105","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208896","9.7089","0.0014","8.9276","0.0013","25.93","0.004","90","","91.09","0.002","90","","2247.1","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N6 O6 Tb -","- C24 H15 N6 O6 Tb -","- C96 H60 N24 O24 Tb4 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0502","0.041","","","0.0972","0.1021","","","","","","1.066","","","","has coordinates","180419","2020-10-21","18:00:00",""
"7208897","9.7575","0.001","8.9776","0.0009","26.005","0.003","90","","91.113","0.001","90","","2277.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Eu N6 O6 -","- C24 H15 Eu N6 O6 -","- C96 H60 Eu4 N24 O24 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0321","0.025","","","0.0627","0.0785","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208898","9.8425","0.0007","9.0698","0.0007","26.084","0.002","90","","91.216","0.001","90","","2328","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N6 O6 Pr -","- C24 H15 N6 O6 Pr -","- C96 H60 N24 O24 Pr4 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0351","0.029","","","0.0638","0.0661","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208899","9.853","0.002","9.073","0.002","26.152","0.006","90","","91.153","0.004","90","","2337.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 N6 Nd O6 -","- C24 H15 N6 Nd O6 -","- C96 H60 N24 Nd4 O24 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0689","0.0549","","","0.1184","0.1249","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208900","9.7434","0.0011","8.9656","0.001","26","0.003","90","","91.179","0.002","90","","2270.8","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Gd N6 O6 -","- C24 H15 Gd N6 O6 -","- C96 H60 Gd4 N24 O24 -","4","1","","Xia, Zhengqiang; Wei, Qing; Yang, Qi; Qiao, Chengfang; Chen, Sanping; Xie, Gang; Zhang, Guochun; Zhou, Chunsheng; Gao, Shengli","Lanthanide coordination compounds with 1H-benzimidazole-2-carboxylic acid: syntheses, structures and spectroscopic properties","CrystEngComm","2013","15","1","86","","10.1039/c2ce26120k","","","0.71073","MoKα","","0.0526","0.0373","","","0.0715","0.0774","","","","","","1.033","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208901","11.9092","0.0007","5.2342","0.0003","11.3589","0.0007","90","","91.198","0.003","90","","707.9","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,3'-AzoPy-SA (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)2-COOH","","- C14 H14 N4 O4 -","- C14 H14 N4 O4 -","- C28 H28 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0538","0.0406","","","0.1098","0.1181","","","","","","1.131","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208902","5.2025","0.0004","7.0703","0.0006","11.4579","0.001","99.247","0.005","102.957","0.006","101.395","0.005","393.25","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","(3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)4-COOH","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0611","0.0489","","","0.1337","0.1451","","","","","","1.036","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208903","5.468","0.0006","7.0381","0.0007","11.9358","0.0012","98.867","0.006","93.592","0.006","102.392","0.006","441.09","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","03-04BD (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)6-COOH","","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0585","0.0476","","","0.1372","0.1484","","","","","","1.087","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208904","7.0388","0.0014","8.2451","0.0018","17.49","0.004","77.525","0.014","80.368","0.013","85.474","0.014","976.1","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","03-03BD (3-pyridyl)-N=N-(3-pyridyl), HOOC-(CH2)8-COOH","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C40 H52 N8 O8 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.1782","0.093","","","0.2017","0.2462","","","","","","1.177","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208905","5.8269","0.0006","8.6817","0.0008","9.0827","0.0009","76.314","0.006","87.963","0.006","77.486","0.006","435.76","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","05:04BD (4-pyridyl)-N=N-(4-pyridyl), HOOC-(CH2)6-COOH","","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","- C18 H22 N4 O4 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; DeHaven, Baillie; Desper, John","Interdependence of structure and physical properties in co-crystals of azopyridines","CrystEngComm","2013","15","3","463","","10.1039/c2ce26153g","","","0.71073","MoKα","","0.0767","0.0504","","","0.1308","0.1459","","","","","","1.075","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208906","12.089","0.011","14.791","0.013","15.76","0.014","87.779","0.013","74.046","0.012","70.035","0.012","2542","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H41 N4 Ni2 O14.5 -","- C48 H41 N4 Ni2 O14.5 -","- C96 H82 N8 Ni4 O29 -","2","1","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.2047","0.0785","","","0.1637","0.2224","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208907","12.215","0.003","14.94","0.004","15.929","0.004","88.1","0.003","73.721","0.003","70.836","0.003","2630.2","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H47 N5 Ni2 O15 -","- C51 H47 N5 Ni2 O15 -","- C102 H94 N10 Ni4 O30 -","2","1","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.1273","0.0607","","","0.1313","0.1586","","","","","","1.019","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208908","11.275","0.005","13.288","0.006","18.774","0.008","92.211","0.006","100.988","0.005","104.96","0.005","2656","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H49 N4 Ni2 O19 -","- C55 H49 N4 Ni2 O19 -","- C110 H98 N8 Ni4 O38 -","2","1","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.0834","0.051","","","0.1219","0.1392","","","","","","1.018","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208909","14.858","0.018","15.017","0.018","15.9","0.018","64.059","0.015","71.167","0.015","76.371","0.015","3001","6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C118 H103 Cu5 N12 O37 -","- C118 H103 Cu5 N12 O37 -","- C118 H103 Cu5 N12 O37 -","1","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.1137","0.0666","","","0.1803","0.2146","","","","","","1.005","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208910","10.682","0.007","15.358","0.01","20.449","0.014","90","","93.388","0.008","90","","3349","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H54 Co3 N4 O20 -","- C76 H54 Co3 N4 O20 -","- C152 H108 Co6 N8 O40 -","2","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.1921","0.089","","","0.1955","0.2355","","","","","","0.999","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208911","14.001","0.01","10.758","0.008","16.911","0.012","90","","105.111","0.008","90","","2459","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H33 Co3 N0 O19 -","- C56 H33 Co3 O19 -","- C112 H66 Co6 O38 -","2","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.0618","0.0393","","","0.0813","0.0911","","","","","","1.015","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208912","29.685","0.008","18.809","0.005","10.441","0.003","90","","97.5","0.003","90","","5780","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 Co3 N8 O22 S -","- C52 H50 Co3 N8 O22 S -","- C208 H200 Co12 N32 O88 S4 -","4","0.5","","Hu, Feilong; Zou, Huahong; Zhao, Xuebo; Mi, Yan; Luo, Caili; Wang, Yunxiao","Second ligands-assisted structural variation of entangled coordination polymers with polycatenated or polythreaded features","CrystEngComm","2013","15","6","1068","","10.1039/c2ce26165k","","","0.71073","MoKα","","0.0562","0.0418","","","0.1089","0.1189","","","","","","1.033","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208913","19.052","0.002","18.588","0.002","28.092","0.004","90","","90","","90","","9948","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H38 Br5 Cd6 N41 O -","- C16 H38 Br5 Cd6 N41 O -","- C128 H304 Br40 Cd48 N328 O8 -","8","1","","Lin, Jian-Di; Wang, Shuai-Hua; Cai, Li-Zhen; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Tetraalkylammonium cations as templates in the construction of two cadmium(ii) metal‒organic frameworks","CrystEngComm","2013","15","5","903","","10.1039/c2ce26213d","","","0.71073","MoKα","","0.0381","0.0366","","","0.0838","0.0847","","","","","","1.054","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208914","12.724","0.007","13.439","0.007","23.509","0.012","90","","90","","90","","4020","4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H36 Br5 Cd4 N21 -","- C16 H36 Br5 Cd4 N21 -","- C64 H144 Br20 Cd16 N84 -","4","0.5","","Lin, Jian-Di; Wang, Shuai-Hua; Cai, Li-Zhen; Zheng, Fa-Kun; Guo, Guo-Cong; Huang, Jin-Shun","Tetraalkylammonium cations as templates in the construction of two cadmium(ii) metal‒organic frameworks","CrystEngComm","2013","15","5","903","","10.1039/c2ce26213d","","","0.71073","MoKα","","0.0477","0.0413","","","0.104","0.1078","","","","","","1.029","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208915","8.7258","0.0011","10.6743","0.0006","11.7457","0.0011","65.623","0.012","78.885","0.014","76.553","0.014","963.36","0.19","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H18 Cd N2 O9 S2 -","- C15 H16 Cd N2 O9 S2 -","- C30 H32 Cd2 N4 O18 S4 -","2","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.068","0.0496","","","0.0997","0.1083","","","","","","1.05","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208916","10.736","0.0013","23.426","0.003","16.561","0.002","90","","95.698","0.004","90","","4144.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H40 Cd2 N4 O15 S4 -","- C35 H34 Cd2 N4 O15 S4 -","- C140 H136 Cd8 N16 O60 S16 -","4","0.5","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.0969","0.0728","","","0.1691","0.1824","","","","","","1.157","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208917","10.8173","0.0018","23.278","0.004","16.465","0.003","90","","97.66","0.005","90","","4109","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd N2 O8 S2 -","- C18 H8 Cd N2 O8 S2 -","- C144 H64 Cd8 N16 O64 S16 -","8","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.1187","0.0799","","","0.1307","0.146","","","","","","1.18","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208918","9.048","0.0011","10.9486","0.0015","12.7222","0.0018","106.62","0.002","103.906","0.003","102.182","0.002","1118","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Co N2 O9 S2 -","- C18 H12 Co N2 O9 S2 -","- C36 H24 Co2 N4 O18 S4 -","2","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.0984","0.0813","","","0.1708","0.1808","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208919","8.913","0.003","21.652","0.006","10.046","0.004","90","","110.545","0.011","90","","1815.4","1.1","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Co N2 O7 S2 -","- C17 H8 Co N2 O7 S2 -","- C68 H32 Co4 N8 O28 S8 -","4","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71075","MoKα","","0.1625","0.098","","","0.1378","0.166","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208920","22.748","0.005","10.543","0.002","15.131","0.003","90","","108.49","0.03","90","","3441.6","1.4","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 Co N2 O5 S2 -","- C16 H12 Co N2 O5 S2 -","- C128 H96 Co8 N16 O40 S16 -","8","1","","Shao, Ming-Yan; Huo, Peng; Sun, Yong-Gang; Li, Xin-Yu; Zhu, Qin-Yu; Dai, Jie","Synthetic methods and structural study of coordination polymers of Cd(ii) and Co(ii) with tetrathiafulvalene‒tetracarboxylate","CrystEngComm","2013","15","6","1086","","10.1039/c2ce26219c","","","0.71073","MoKα","","0.1736","0.0953","","","0.1429","0.1752","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208921","15.9051","0.0013","15.9844","0.0013","18.1694","0.0015","74.805","0.003","89.245","0.003","63.414","0.002","3957.3","0.6","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Er N27 O38 -","- C60 H72 Er N27 O25 -","- C120 H144 Er2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.044","0.0412","","","0.1257","0.1288","","","","","","1.098","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208922","15.8697","0.0013","15.9935","0.0012","18.2482","0.0014","74.793","0.003","89.019","0.003","63.367","0.002","3968","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Gd N27 O38 -","- C60 H72 Gd N27 O25 -","- C120 H144 Gd2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0563","0.0491","","","0.1385","0.1499","","","","","","1.071","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208923","15.9003","0.0008","15.9406","0.0008","18.1921","0.0009","74.646","0.002","89.345","0.002","63.329","0.002","3942.3","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Y -","- C60 H72 N27 O25 Y -","- C120 H144 N54 O50 Y2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0817","0.0585","","","0.16","0.1734","","","","","","1.064","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208924","15.8719","0.0008","15.9679","0.0008","18.3263","0.0009","74.45","0.002","88.987","0.002","63.323","0.002","3969.8","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Sm -","- C60 H72 N27 O25 Sm -","- C120 H144 N54 O50 Sm2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0488","0.0432","","","0.1178","0.1215","","","","","","1.042","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208925","15.9117","0.0007","15.9777","0.0006","18.2073","0.0007","74.75","0.001","89.332","0.002","63.384","0.001","3962.3","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Dy N27 O38 -","- C60 H72 Dy N27 O25 -","- C120 H144 Dy2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0505","0.0453","","","0.1349","0.1396","","","","","","1.092","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208926","15.8602","0.0007","15.9685","0.0006","18.0548","0.0008","74.91","0.001","89.449","0.002","63.404","0.001","3917.4","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Yb -","- C60 H72 N27 O25 Yb -","- C120 H144 N54 O50 Yb2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0341","0.0314","","","0.0867","0.0889","","","","","","1.056","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208927","10.7042","0.0006","14.7774","0.0008","29.5216","0.0016","77.486","0.002","81.423","0.002","69.116","0.002","4246","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H124 Cl2 N25 O41 Pr -","- C60 H72 Cl2 N25 O20 Pr -","- C120 H144 Cl4 N50 O40 Pr2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0878","0.0739","","","0.2161","0.2293","","","","","","1.094","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208928","15.8602","0.0006","15.9876","0.0006","18.2197","0.0006","74.954","0.001","89.086","0.001","63.282","0.001","3957.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 Eu N27 O38 -","- C60 H72 Eu N27 O25 -","- C120 H144 Eu2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0433","0.0372","","","0.1033","0.107","","","","","","1.077","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208929","10.6667","0.0008","28.785","0.002","14.6296","0.0011","90","","110.47","0.002","90","","4208.2","0.5","223","2","223","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C60 H128 Cl2 N25 O43 Pr -","- C60 H64 Cl2 N25 O19 Pr -","- C120 H128 Cl4 N50 O38 Pr2 -","2","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.1504","0.1109","","","0.3278","0.3602","","","","","","1.264","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208930","15.845","0.0007","15.9385","0.0007","18.1401","0.0008","74.731","0.002","89.311","0.002","63.456","0.002","3923.9","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H104 Ho N27 O37 -","- C60 H72 Ho N27 O25 -","- C120 H144 Ho2 N54 O50 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0468","0.0407","","","0.1137","0.1177","","","","","","1.092","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208931","15.8446","0.0006","15.9631","0.0007","18.1699","0.0007","74.865","0.001","89.206","0.001","63.336","0.001","3936","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H106 N27 O38 Tb -","- C60 H72 N27 O25 Tb -","- C120 H144 N54 O50 Tb2 -","2","1","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0529","0.0449","","","0.1217","0.1268","","","","","","1.094","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208932","17.7064","0.0013","26.467","0.002","21.98","0.0016","90","","111.594","0.002","90","","9577.7","1.2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H136 Cl2 Lu2 N28 O56 -","- C60 H72 Cl2 Lu2 N28 O36 -","- C240 H288 Cl8 Lu8 N112 O144 -","4","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0493","0.0388","","","0.1092","0.114","","","","","","1.101","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208933","15.558","0.002","15.609","0.002","20.746","0.002","104.25","0.004","95.811","0.004","119.308","0.004","4108.9","0.9","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H218 N60 Nd4 O97 -","- C120 H144 N60 Nd4 O76 -","- C120 H144 N60 Nd4 O76 -","1","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0997","0.0927","","","0.2341","0.238","","","","","","1.071","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208934","15.5784","0.0009","15.6145","0.0009","20.8875","0.0017","104.115","0.003","95.999","0.003","119.254","0.002","4146.1","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H208 Ce4 N60 O92 -","- C120 H144 Ce4 N60 O76 -","- C120 H144 Ce4 N60 O76 -","1","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.0483","0.044","","","0.1173","0.1204","","","","","","1.052","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208935","15.5568","0.0018","15.6496","0.0019","21.03","0.002","104.42","0.004","95.91","0.004","119.074","0.004","4179.3","0.8","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H212 La4 N60 O94 -","- C120 H144 La4 N60 O76 -","- C120 H144 La4 N60 O76 -","1","0.5","","Qin, Xiao; Ni, Xin-Long; Hu, Jing-Xu; Chen, Kai; Zhang, Yun-Qian; Redshaw, Carl; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Macrocycle-based metal ion complexation: a study of the lanthanide contraction effect towards hexacyclohexanocucurbit[6]uil","CrystEngComm","2013","15","4","738","","10.1039/c2ce26225h","","","0.71073","MoKα","","0.084","0.0765","","","0.1871","0.1907","","","","","","1.074","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208936","16.0445","0.0012","27.598","0.002","9.9439","0.0009","90","","95.898","0.009","90","","4379.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 Er2 N2 O17 -","- C45 H31 Er2 N2 O17 -","- C180 H124 Er8 N8 O68 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0587","0.0414","","","0.0967","0.102","","","","","","0.888","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208937","16.0603","0.0005","27.6878","0.0011","9.9639","0.0005","90","","96.019","0.004","90","","4406.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 N2 O17 Yb2 -","- C45 H32 N2 O17 Yb2 -","- C180 H128 N8 O68 Yb8 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0543","0.0424","","","0.1039","0.1098","","","","","","1.078","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208938","16.0587","0.0004","27.6658","0.0006","9.9524","0.0003","90","","96.044","0.002","90","","4397","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H32 Ho2 N2 O17 -","- C45 H32 Ho2 N2 O17 -","- C180 H128 Ho8 N8 O68 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0592","0.0447","","","0.1072","0.1142","","","","","","1.097","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208939","8.8868","0.0005","29.0154","0.0014","16.6276","0.0012","90","","91.827","0.006","90","","4285.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 N2 O19 Tb2 -","- C45 H36 N2 O19 Tb2 -","- C180 H144 N8 O76 Tb8 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0647","0.0356","","","0.0908","0.1022","","","","","","0.64","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208940","8.898","0.0004","28.9894","0.0012","16.6177","0.0006","90","","91.95","0.004","90","","4284","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Dy2 N2 O19 -","- C45 H36 Dy2 N2 O19 -","- C180 H144 Dy8 N8 O76 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0818","0.0675","","","0.1598","0.1688","","","","","","1.477","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208941","8.9134","0.0003","29.0448","0.001","16.6484","0.0005","90","","91.909","0.003","90","","4307.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 Eu2 N2 O19 -","- C45 H36 Eu2 N2 O19 -","- C180 H144 Eu8 N8 O76 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.068","0.0538","","","0.156","0.1715","","","","","","1.161","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208942","18.055","0.0004","16.3958","0.0003","29.0934","0.0007","90","","90","","90","","8612.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C45 H32 La2 N2 O18 -","- C45 H32 La2 N2 O18 -","- C360 H256 La16 N16 O144 -","8","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0457","0.0259","","","0.077","0.0855","","","","","","0.58","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208943","23.4064","0.001","5.9565","0.0002","33.4858","0.0017","90","","121.375","0.003","90","","3985.9","0.3","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C42 H36 O21 Sm2 -","- C42 H36 O21 Sm2 -","- C168 H144 O84 Sm8 -","4","1","","Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Hou, Duan-Chuan; Wang, Fei; Zhao, Zhen; Zhang, Jian","Urothermal synthesis of photoluminescent lanthanide‒organic frameworks with unusual topologies","CrystEngComm","2013","15","2","315","","10.1039/c2ce26242h","","","0.71073","MoKα","","0.0528","0.0338","","","0.0693","0.0724","","","","","","0.962","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208944","23.571","0.005","14.997","0.003","20.221","0.004","90","","93.55","0.03","90","","7134","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cu2 Mo4 N8 O13 -","- C28 H28 Cu2 Mo4 N8 O13 -","- C224 H224 Cu16 Mo32 N64 O104 -","8","1","","Hou, Guang-Feng; Wang, Xiao-Dan; Yu, Ying-Hui; Gao, Jin-Sheng; Wen, Bo; Yan, Peng-Fei","A new topology constructed from an octamolybdate and metallomacrocycle coordination complex","CrystEngComm","2013","15","2","249","","10.1039/c2ce26250a","","","0.71073","MoKα","","0.052","0.0389","","","0.0617","0.0652","","","","","","1.058","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208945","11.0516","0.0008","12.4783","0.001","12.7662","0.001","105.868","0.001","98.2301","0.001","115.649","0.0011","1455.5","0.2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 Eu4 N6 O41 S2 Zn -","- C40 H46 Eu4 N6 O41 S2 Zn -","- C40 H46 Eu4 N6 O41 S2 Zn -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0359","0.028","","","0.0653","0.0697","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208946","10.9441","0.0013","12.4765","0.0015","12.7277","0.0016","105.947","0.002","98.136","0.002","115.568","0.001","1438","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 N6 O41 S2 Tb4 Zn -","- C40 H46 N6 O41 S2 Tb4 Zn -","- C40 H46 N6 O41 S2 Tb4 Zn -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0322","0.0232","","","0.0542","0.0605","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208947","11.0202","0.0006","12.5108","0.0006","12.9049","0.0011","106.603","0.001","97.781","0.0011","115.596","0.001","1467.13","0.17","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H46 Gd4 Mn N6 O41 S2 -","- C40 H46 Gd4 Mn N6 O41 S2 -","- C40 H46 Gd4 Mn N6 O41 S2 -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0294","0.0252","","","0.06","0.0623","","","","","","1.024","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208948","10.7899","0.0015","12.0807","0.0016","14.438","0.0019","76.362","0.002","68.371","0.003","65.305","0.002","1582","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H52 Dy4 Mn N6 O49 S2 -","- C42 H52 Dy4 Mn N6 O49 S2 -","- C42 H52 Dy4 Mn N6 O49 S2 -","1","0.5","","Peng, Guo; Ma, Li; Liang, Li; Ma, Yingzhao; Yang, Chengfeng; Deng, Hong","3d‒4f Heterometallic coordination polymers constructed by tetranuclear lanthanide-based cluster as secondary building unit","CrystEngComm","2013","15","5","922","","10.1039/c2ce26277k","","","0.71073","MoKα","","0.0369","0.0307","","","0.0792","0.0832","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208949","20.81","0.002","8.8755","0.001","8.9926","0.0009","90","","96.024","0.01","90","","1651.8","0.3","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 La O10 -","- C12 H21 La O10 -","- C48 H84 La4 O40 -","4","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0868","0.0453","","","0.0979","0.1093","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208950","20.7047","0.0004","8.8643","0.0001","8.8911","0.0001","90","","90","","90","","1631.81","0.04","120","2","120","2","","","","","","","synthesis as described","4","P b c n","-P 2n 2ab","60","","","","- C12 H21 Ce O10 -","- C12 H21 Ce O10 -","- C48 H84 Ce4 O40 -","4","0.5","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0359","0.0227","","","0.0456","0.0516","","","","","","1.047","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208951","11.0074","0.0013","11.1582","0.0012","12.1118","0.0012","98.66","0.009","103.678","0.009","118.293","0.011","1211.3","0.3","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C18 H28 Ce2 O14 -","- C18 H28 Ce2 O14 -","- C36 H56 Ce4 O28 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0651","0.0538","","","0.1422","0.1545","","","","","","1.073","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208952","34.7924","0.0019","12.5064","0.0008","11.5839","0.0007","90","","90","","90","","5040.5","0.5","120","2","120","2","","","","","","","synthesis as described","4","P c c n","-P 2ab 2ac","56","","","","- C18 H30 Eu2 O15 -","- C18 H30 Eu2 O15 -","- C144 H240 Eu16 O120 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0591","0.051","","","0.1205","0.126","","","","","","1.073","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208953","34.6706","0.0011","12.5002","0.0003","11.5584","0.0004","90","","90","","90","","5009.3","0.3","120","2","120","2","","","","","","","synthesis as described","4","P c c n","-P 2ab 2ac","56","","","","- C18 H30 O15 Tb2 -","- C18 H30 O15 Tb2 -","- C144 H240 O120 Tb16 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.043","0.0322","","","0.0562","0.0589","","","","","","1.162","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208954","5.8422","0.0003","9.8906","0.0004","21.5267","0.001","90","","93.957","0.004","90","","1240.91","0.1","120","2","120","2","","","","","","","synthesis as described","4","P 1 2/c 1","-P 2yc","13","","","","- C18 H34 O17 Y2 -","- C18 H32 O17 Y2 -","- C36 H64 O34 Y4 -","2","0.5","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0891","0.086","","","0.1903","0.1918","","","","","","1.241","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208955","5.8717","0.0008","9.8057","0.0018","11.979","0.002","70.102","0.016","80.008","0.013","89.723","0.013","637.6","0.19","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 H16 O8 Y -","- C9 H16 O8 Y -","- C18 H32 O16 Y2 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0759","0.0645","","","0.1865","0.1951","","","","","","1.148","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7208956","11.1645","0.0005","11.7892","0.001","18.3088","0.0014","89.219","0.006","87.563","0.005","72.844","0.006","2300.5","0.3","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C36 H50 O25 Y4 -","- C36 H50 O25 Y4 -","- C72 H100 O50 Y8 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0633","0.0321","","","0.0627","0.0814","","","","","","0.967","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208957","11.1375","0.0004","18.0442","0.0005","12.7462","0.0004","90","","112.496","0.004","90","","2366.65","0.15","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Lu2 O13 -","- C18 H26 Lu2 O13 -","- C72 H104 Lu8 O52 -","4","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0392","0.0308","","","0.0622","0.0663","","","","","","1.04","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208958","11.8632","0.0002","13.0361","0.0003","13.1531","0.0002","116.813","0.002","94.042","0.001","113.589","0.002","1583.45","0.07","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C24 H37 Lu3 O19 -","- C24 H37 Lu3 O19 -","- C48 H74 Lu6 O38 -","2","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0248","0.0236","","","0.0634","0.0644","","","","","","1.113","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208959","15.9284","0.0006","16.27","0.0004","11.882","0.0004","90","","92.683","0.003","90","","3075.91","0.17","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 Lu3 O17 -","- C24 H33 Lu3 O17 -","- C96 H132 Lu12 O68 -","4","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.055","0.0372","","","0.0628","0.0692","","","","","","1.037","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208960","22.7053","0.0011","12.3557","0.0005","8.3931","0.0003","90","","93.878","0.004","90","","2349.21","0.17","120","2","120","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H14 La O7 -","- C9 H14 La O7 -","- C72 H112 La8 O56 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","0.71073","MoKα","","0.0429","0.0308","","","0.0604","0.0658","","","","","","1.003","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208961","17.6673","0.0004","17.6673","0.0004","15.1787","0.0006","90","","90","","90","","4737.8","0.2","120","2","120","2","","","","","","","synthesis as described","4","P 41 21 2","P 4abw 2nw","92","","","","- C18 H24 O12 Y2 -","- C18 H24 O12 Y2 -","- C144 H192 O96 Y16 -","8","1","","Saines, Paul J.; Steinmann, Mark; Tan, Jin-Chong; Yeung, Hamish H.-M.; Cheetham, Anthony K.","Structural diversity and luminescent properties of lanthanide 2,2- and 2,3-dimethylsuccinate frameworks","CrystEngComm","2013","15","1","100","","10.1039/c2ce26279g","","x-ray","1.54184","CuKα","","0.0416","0.0393","","","0.0971","0.0985","","","","","","1.088","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208962","15.5367","0.0003","7.2065","0.0001","15.8326","0.0003","90","","106.567","0.001","90","","1699.11","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C72 H68 N4 O24 S4 -","4","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0487","0.0435","","","0.1091","0.1129","","","","","","1.075","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208963","15.3346","0.0008","7.291","0.0004","16.1284","0.0009","90","","104.857","0.004","90","","1742.94","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C72 H68 N4 O24 S4 -","4","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.118","0.0664","","","0.165","0.2032","","","","","","1.024","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208964","7.3283","0.0002","7.7161","0.0002","16.2329","0.0004","90.86","0.001","97.774","0.002","112.116","0.002","840.38","0.04","100","2","101","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C36 H34 N2 O12 S2 -","2","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0405","0.0355","","","0.0943","0.1069","","","","","","1.099","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208965","10.282","0.0005","14.1275","0.0006","11.8374","0.0005","90","","96.725","0.002","90","","1707.66","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 N O6 S -","- C18 H17 N O6 S -","- C72 H68 N4 O24 S4 -","4","2","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.169","0.0681","","","0.0893","0.1143","","","","","","1.005","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208966","10.3597","0.0005","13.9938","0.0007","11.8314","0.0006","90","","97.721","0.003","90","","1699.67","0.15","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 O12 S2 -","- C36 H34 N2 O12 S2 -","- C72 H68 N4 O24 S4 -","2","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0773","0.0542","","","0.1225","0.1364","","","","","","1.047","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208967","9.6186","0.0003","11.3663","0.0004","11.7792","0.0006","61.273","0.002","76.368","0.003","67.977","0.002","1044.45","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N O8 S -","- C21 H23 N O8 S -","- C42 H46 N2 O16 S2 -","2","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0925","0.0645","","","0.1488","0.1622","","","","","","1.155","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208968","9.6628","0.0001","12.9705","0.0002","15.2675","0.0002","90","","108.034","0.001","90","","1819.49","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O6 S -","- C19 H19 N O6 S -","- C76 H76 N4 O24 S4 -","4","1","","Yan, Zhiqing; Bolokowicz, Andrew J.; Collett, Teage K.; Reeb, Sarah A.; Wiseman, Joshua D.; Wheeler, Kraig A.","Solid-state photodimerization reactions of racemic and homochiral phenylalanine sulfonamidecinnamic acids","CrystEngComm","2013","15","1","27","","10.1039/c2ce26307f","","","1.54178","CuKα","","0.0501","0.0374","","","0.0946","0.1019","","","","","","1.036","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208969","15.1007","0.001","17.2538","0.0011","31.509","0.002","90","","90","","90","","8209.5","0.9","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C20 H12 Cd N10 -","- C20 H12 Cd N10 -","- C320 H192 Cd16 N160 -","16","0.5","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0258","0.0217","","","0.0593","0.0613","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208970","10.523","0.0013","16.51","0.002","7.4998","0.0009","90","","109.908","0.001","90","","1225.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cd N8 O -","- C10 H8 Cd N8 O -","- C40 H32 Cd4 N32 O4 -","4","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0362","0.0348","","","0.0841","0.0849","","","","","","1.085","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208971","8.0261","0.001","8.7696","0.0011","15.719","0.002","90","","99","0.002","90","","1092.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl N5 Zn -","- C10 H6 Cl N5 Zn -","- C40 H24 Cl4 N20 Zn4 -","4","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0562","0.0466","","","0.1323","0.1393","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208972","9.3824","0.0013","13.4516","0.0019","14.717","0.002","112.547","0.002","96.925","0.002","101.903","0.002","1637.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20.5 Cd2 N12 O4.25 -","- C32 H20.5 Cd2 N12 O4.25 -","- C64 H41 Cd4 N24 O8.5 -","2","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0362","0.0287","","","0.0706","0.0748","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7208973","10.0822","0.0011","10.291","0.0012","11.6096","0.0013","102.739","0.001","107.223","0.001","90.824","0.001","1118.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H7.34 Cd2 N5 O9.67 -","- C19 H7.34 Cd2 N5 O9.67 -","- C38 H14.68 Cd4 N10 O19.34 -","2","1","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.034","0.0306","","","0.0871","0.0898","","","","","","1.081","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208974","8.759","0.0007","25.993","0.002","15.0096","0.0011","90","","103.528","0.001","90","","3322.5","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H42 Cd6 N20 O23 -","- C60 H42 Cd6 N20 O23 -","- C120 H84 Cd12 N40 O46 -","2","0.25","","Ma, Li; Yu, Naiqian; Chen, Susu; Deng, Hong","Construction of diverse CdII/ZnII coordination polymers based on 5-(quinolyl)tetrazolate generated via in situ hydrothermal synthesis","CrystEngComm","2013","15","7","1352","","10.1039/c2ce26323h","","","0.71073","MoKα","","0.0325","0.0285","","","0.0744","0.0776","","","","","","1.042","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208975","7.0454","0.0004","12.1205","0.0007","13.2868","0.0008","70.681","0.001","86.723","0.001","80.613","0.001","1056.38","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H27 Co N3 O14 S -","- C11 H27 Co N3 O14 S -","- C22 H54 Co2 N6 O28 S2 -","2","1","","Lucas, Jacqueline S.; Uebler, Jacob W.; LaDuca, Robert L.","Metal dependent dimensionality in sulfate coordination polymers containing 3-pyridylisonicotinamide","CrystEngComm","2013","15","5","860","","10.1039/c2ce26333e","","","0.71073","MoKα","","0.0395","0.0365","","","0.0964","0.0981","","","","","","1.077","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208976","24.075","0.007","9.496","0.003","14.226","0.004","90","","122.425","0.004","90","","2745.2","1.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cu N3 O7 S -","- C11 H13 Cu N3 O7 S -","- C88 H104 Cu8 N24 O56 S8 -","8","1","","Lucas, Jacqueline S.; Uebler, Jacob W.; LaDuca, Robert L.","Metal dependent dimensionality in sulfate coordination polymers containing 3-pyridylisonicotinamide","CrystEngComm","2013","15","5","860","","10.1039/c2ce26333e","","","0.71073","MoKα","","0.0482","0.0412","","","0.1081","0.1152","","","","","","1.051","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208977","8.6706","0.0008","21.5919","0.0019","6.9169","0.0006","90","","90.171","0.001","90","","1294.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 Cd N3 O6 S -","- C11 H11 Cd N3 O6 S -","- C44 H44 Cd4 N12 O24 S4 -","4","1","","Lucas, Jacqueline S.; Uebler, Jacob W.; LaDuca, Robert L.","Metal dependent dimensionality in sulfate coordination polymers containing 3-pyridylisonicotinamide","CrystEngComm","2013","15","5","860","","10.1039/c2ce26333e","","","0.71073","MoKα","","0.0402","0.0302","","","0.0706","0.075","","","","","","1.079","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208978","13.2467","0.0003","28.8514","0.0008","32.3635","0.0008","90","","90","","90","","12368.9","0.5","133.1","","133.1","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C67 H87 N5 O5 -","- C67 H87 N5 O5 -","- C536 H696 N40 O40 -","8","1","","Tsue, Hirohito; Ono, Kohei; Tokita, Satoshi; Takahashi, Hiroki; Tamura, Rui","Solid‒gas sorption behavior of a new polymorph of azacalix[5]arene pentamethyl ether as controlled by crystal architecture","CrystEngComm","2013","15","8","1536","","10.1039/c2ce26339d","","","0.71075","MoKα","","","0.088","","","","0.2478","","","","","","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208979","5.9638","0.0015","12.926","0.003","9.457","0.002","90","","92.71","0.005","90","","728.2","0.3","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cu N3 -","- C8 H6 Cu N3 -","- C32 H24 Cu4 N12 -","4","1","","Liu, Bao-Yu; Liu, Feng; Lv, Li-Hong; Grajeda, Javier; Huang, Xiao-Chun","A new strategy for the construction of a single-walled metal‒organic nanotubular framework: utilizing “T”-shaped building unit with ligand modification","CrystEngComm","2013","15","3","447","","10.1039/c2ce26350e","","","0.71073","MoKα","","0.0829","0.0574","","","0.1556","0.2326","","","","","","1.002","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208980","12.3244","0.0002","12.3244","0.0002","5.9519","0.0002","90","","90","","90","","904.04","0.04","293","2","293","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C7 H4 Cu2 N4 S -","- C7 H4 Cu2 N4 S -","- C28 H16 Cu8 N16 S4 -","4","0.5","","Liu, Bao-Yu; Liu, Feng; Lv, Li-Hong; Grajeda, Javier; Huang, Xiao-Chun","A new strategy for the construction of a single-walled metal‒organic nanotubular framework: utilizing “T”-shaped building unit with ligand modification","CrystEngComm","2013","15","3","447","","10.1039/c2ce26350e","","","1.54178","CuKα","","0.0984","0.0905","","","0.2143","0.2168","","","","","","1.119","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208981","22.891","0.002","22.891","0.002","13.1165","0.0011","90","","90","","120","","5952.2","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H104 Cd7 N12 O50 P6 -","- C54 H60 Cd7 N12 O50 P6 -","- C162 H180 Cd21 N36 O150 P18 -","3","0.166667","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0497","0.0443","","","0.1088","0.1123","","","","","","1.148","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208982","22.506","0.0013","22.506","0.0013","13.2344","0.0013","90","","90","","120","","5805.4","0.7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H106 Mn7 N12 O51 P6 -","- C54 H60 Mn7 N12 O51 P6 -","- C162 H180 Mn21 N36 O153 P18 -","3","0.166667","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0929","0.0747","","","0.1814","0.1957","","","","","","1.076","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208983","9.484","0.006","8.377","0.005","18.414","0.012","90","","103.319","0.012","90","","1423.6","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H17 Co N2 O8 P -","- C9 H13 Co N2 O8 P -","- C36 H52 Co4 N8 O32 P4 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Syntheses, crystal structures, thermal stability, magnetism and luminescence of four new metal phosphonates","CrystEngComm","2013","15","4","802","","10.1039/c2ce26368h","","","0.71073","MoKα","","0.0897","0.0682","","","0.1635","0.1786","","","","","","1.12","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208984","8.6361","0.0011","10.8402","0.0015","19.795","0.003","90","","95.624","0.003","90","","1844.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cd N5 O4 -","- C20 H13 Cd N5 O4 -","- C80 H52 Cd4 N20 O16 -","4","1","","Fan, Liming; Zhang, Xiutang; Li, Dacheng; Sun, Di; Zhang, Wei; Dou, Jianmin","Supramolecular isomeric flat and wavy honeycomb networks: additive agent effect on the ligand linkages","CrystEngComm","2013","15","2","349","","10.1039/c2ce26386f","","","0.71073","MoKα","","0.0309","0.0251","","","0.0549","0.056","","","","","","0.989","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208985","9.955","0.006","19.393","0.011","10.077","0.006","90","","108.59","0.011","90","","1843.9","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cd N5 O4 -","- C20 H13 Cd N5 O4 -","- C80 H52 Cd4 N20 O16 -","4","1","","Fan, Liming; Zhang, Xiutang; Li, Dacheng; Sun, Di; Zhang, Wei; Dou, Jianmin","Supramolecular isomeric flat and wavy honeycomb networks: additive agent effect on the ligand linkages","CrystEngComm","2013","15","2","349","","10.1039/c2ce26386f","","","0.71073","MoKα","","0.0464","0.0358","","","0.0704","0.074","","","","","","0.915","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208986","59.6523","0.0011","8.2064","0.0001","16.9558","0.0002","90","","95.447","0.001","90","","8262.9","0.2","293","2","293","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Gd4 O42 -","- C84 H48 Gd4 O42 -","- C336 H192 Gd16 O168 -","4","0.5","","Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier","Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand","CrystEngComm","2013","15","4","706","","10.1039/c2ce26390d","","x-ray","0.71073","MoKα","","0.0653","0.0355","","","0.0696","0.0792","","","","","","0.964","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208987","9.9474","0.0001","15.6416","0.0002","28.7511","0.0004","90","","95.117","0.001","90","","4455.65","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C42 H42 Gd2 O24 -","- C42 H24 Gd2 O24 -","- C168 H96 Gd8 O96 -","4","1","","Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier","Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand","CrystEngComm","2013","15","4","706","","10.1039/c2ce26390d","","x-ray","0.71073","MoKα","","0.0549","0.0404","","","0.0985","0.1057","","","","","","1.04","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208988","23.662","0.004","6.0657","0.001","29.414","0.006","90","","102.03","0.07","90","","4129","1.7","293","2","293","2","","","","","","","synthesis as described","4","P 1 2/n 1","-P 2yac","13","","","","- C42 H36 La2 O21 -","- C42 H24 La2 O21 -","- C168 H96 La8 O84 -","4","1","","Luo, Yun; Zheng, Yanjun; Calvez, Guillaume; Freslon, Stéphane; Bernot, Kevin; Daiguebonne, Carole; Roisnel, Thierry; Guillou, Olivier","Synthesis, crystal structure and luminescent properties of new lanthanide-containing coordination polymers involving 4,4′-oxy-bis-benzoate as ligand","CrystEngComm","2013","15","4","706","","10.1039/c2ce26390d","","x-ray","0.71069","MoKα","","0.0532","0.0353","","","0.0812","0.0886","","","","","","1.024","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208989","12.0511","0.0004","14.9625","0.0005","16.2348","0.0005","76.487","0.003","86.836","0.003","72.44","0.003","2713.33","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H46 N8 Ni O22.5 Ta -","- C56 H37 N8 Ni O22.511 Ta -","- C112 H74 N16 Ni2 O45.022 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0752","0.0586","","","0.1315","0.1356","","","","","","1.143","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7208990","11.6629","0.0003","13.5404","0.0004","16.0209","0.0004","65.972","0.003","80.64","0.002","76.627","0.002","2241.45","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H41 N6 Ni O21 Ta -","- C42 H39 N6 Ni O21 Ta -","- C84 H78 N12 Ni2 O42 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0397","0.0321","","","0.0694","0.0731","","","","","","1.022","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208991","11.5314","0.0006","12.6938","0.0006","15.613","0.0008","108.324","0.004","92.332","0.004","109.013","0.004","2024.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H31 N6 Ni O14 Ta -","- C44 H31 N6 Ni O14 Ta -","- C88 H62 N12 Ni2 O28 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0474","0.0277","","","0.0502","0.053","","","","","","0.876","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208992","11.4776","0.0002","12.6662","0.0002","15.53","0.0001","110.145","0.001","90.867","0.001","109.593","0.002","1974.97","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 N6 Ni O14 Ta -","- C43 H29 N6 Ni O14 Ta -","- C86 H58 N12 Ni2 O28 Ta2 -","2","1","","Androš, Lidija; Matković-Čalogović, Dubravka; Planinić, Pavica","A series of compounds containing various (oxalato)tantalate(v) complex anions ‒ synthesis, properties and the mixed-metal oxide formation via thermal decomposition","CrystEngComm","2013","15","3","533","","10.1039/c2ce26391b","","","0.71073","MoKα","","0.0212","0.0184","","","0.0433","0.0446","","","","","","1.048","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208993","33.748","0.013","34.172","0.014","3.7629","0.0015","90","","90","","90","","4340","3","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","1,3-Bis(cyanoxime)benzene, monohydrate","1,3-Bis(cyanoxime)benzene, monohydrate","","- C10 H7 N4 O2.5 -","- C10 H7 N4 O2.5 -","- C160 H112 N64 O40 -","16","1","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0872","0.06","","","0.1413","0.1582","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7208994","7.9182","0.001","13.0263","0.0016","13.5001","0.0016","90","","90","","90","","1392.5","0.3","150","2","150","2","","","","","","","","4","P b c m","-P 2c 2b","57","1,3-bis-cyanoxime(benzene), DMF solvate","1,3-bis-cyanoxime(benzene), DMF solvate","","- C13 H13 N5 O3 -","- C13 H13 N5 O3 -","- C52 H52 N20 O12 -","4","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0835","0.0665","","","0.1848","0.1991","","","","","","1.108","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7208995","5.1519","0.0009","11.244","0.002","16.37","0.003","90","","90","","90","","948.3","0.3","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","1,4-bis(cyanoxime)benzene","1,4-bis(cyanoxime)benzene","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C40 H24 N16 O8 -","4","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0934","0.0635","","","0.1809","0.2028","","","","","","1.081","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208996","6.2397","0.0004","7.8663","0.0005","9.624","0.0006","81.374","0.001","80.696","0.001","72.025","0.001","440.88","0.05","129","2","129","2","","","","","","","","5","P -1","-P 1","2","1,4-bis(cyanoxime)benzene, DMSO solvate","1,4-bis(cyanoxime)benzene, DMSO solvate","","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","- C14 H18 N4 O4 S2 -","1","0.5","","Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay","Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs","CrystEngComm","2013","15","1","152","","10.1039/c2ce26395e","","","0.71073","MoKα","","0.0305","0.0269","","","0.0706","0.0738","","","","","","1.065","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208997","7.8908","0.0007","16.1902","0.0014","27.1562","0.0019","90","","102.083","0.002","90","","3392.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H60 N12 O16 Pb2 -","- C80 H60 N12 O16 Pb2 -","- C160 H120 N24 O32 Pb4 -","2","0.5","","Wang, Xiu-Li; Guo, Zhi-Chao; Liu, Guo-Cheng; Qu, Yun; Yang, Song; Lin, Hong-Yan; Zhang, Ju-Wen","Tuning the lead complexes based on a double 1,10-phenanthroline derivative with versatile coordination behavior by dicarboxylates: from 0D nano-ring to an unprecedented 0D + 3D cocrystal","CrystEngComm","2013","15","3","551","","10.1039/c2ce26399h","","","0.71073","MoKα","","0.0622","0.0356","","","0.0643","0.0701","","","","","","0.949","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208998","10.589","0.005","22.803","0.005","14.703","0.005","90","","97.504","0.005","90","","3520","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N10 O6 Pb -","- C41 H28 N10 O6 Pb -","- C164 H112 N40 O24 Pb4 -","4","1","","Wang, Xiu-Li; Guo, Zhi-Chao; Liu, Guo-Cheng; Qu, Yun; Yang, Song; Lin, Hong-Yan; Zhang, Ju-Wen","Tuning the lead complexes based on a double 1,10-phenanthroline derivative with versatile coordination behavior by dicarboxylates: from 0D nano-ring to an unprecedented 0D + 3D cocrystal","CrystEngComm","2013","15","3","551","","10.1039/c2ce26399h","","","0.71069","MoKα","","0.1255","0.0484","","","0.099","0.125","","","","","","0.975","","","","has coordinates","180420","2020-10-21","18:00:00",""
"7208999","14.32","0.005","14.58","0.005","16.195","0.005","86.729","0.005","84.156","0.005","79.526","0.005","3305.1","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H64 N12 O14 Pb3 -","- C72 H60 N12 O14 Pb3 -","- C144 H120 N24 O28 Pb6 -","2","1","","Wang, Xiu-Li; Guo, Zhi-Chao; Liu, Guo-Cheng; Qu, Yun; Yang, Song; Lin, Hong-Yan; Zhang, Ju-Wen","Tuning the lead complexes based on a double 1,10-phenanthroline derivative with versatile coordination behavior by dicarboxylates: from 0D nano-ring to an unprecedented 0D + 3D cocrystal","CrystEngComm","2013","15","3","551","","10.1039/c2ce26399h","","","0.71069","MoKα","","0.0646","0.0371","","","0.1027","0.1351","","","","","","1.029","","","","has coordinates,has disorder","180420","2020-10-21","18:00:00",""
"7209000","20.463","0.004","20.463","0.004","27.88","0.007","90","","90","","120","","10110","4","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C16.5 H17.5 N1.5 Na O9.5 V -","- C12 H4 Na O9 V -","- C216 H72 Na18 O162 V18 -","18","1","","Zhang, Tian-Zhan; Zhang, Zhi-Ming; Lu, Ying; Fu, Hai; Wang, En-Bo","Expansion of sodalite-type metal‒organic frameworks with heterometallic metal‒oxo cluster and its cation exchange property","CrystEngComm","2013","15","3","459","","10.1039/c2ce26400e","","","0.71073","MoKα","","0.061","0.0385","","","0.0904","0.0956","","","","","","0.903","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209001","18.079","0.004","16.435","0.003","11.603","0.002","90","","90","","90","","3447.6","1.2","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H42 Li N3 O13 V -","- C30 H42 Li N3 O13 V -","- C120 H168 Li4 N12 O52 V4 -","4","1","","Zhang, Tian-Zhan; Zhang, Zhi-Ming; Lu, Ying; Fu, Hai; Wang, En-Bo","Expansion of sodalite-type metal‒organic frameworks with heterometallic metal‒oxo cluster and its cation exchange property","CrystEngComm","2013","15","3","459","","10.1039/c2ce26400e","","","0.71073","MoKα","","0.1045","0.0609","","","0.1293","0.148","","","","","","1.004","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209002","9.2812","0.0005","10.8141","0.0007","17.5421","0.0012","90.146","0.004","96.815","0.004","99.763","0.003","1722.44","0.19","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H45 N3 O11 -","- C35 H45 N3 O11 -","- C70 H90 N6 O22 -","2","1","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.0999","0.0761","","","0.1692","0.1942","","","","","","1.13","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209003","9.5432","0.0016","10.525","0.0019","17.119","0.003","105.358","0.008","93.281","0.009","96.235","0.009","1641.6","0.5","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 O11 S2 -","- C32 H40 O11 S2 -","- C64 H80 O22 S4 -","2","1","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.125","0.0587","","","0.1416","0.1827","","","","","","1.006","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209004","21.4901","0.0011","21.4901","0.0011","42.883","0.004","90","","90","","90","","19804","2","143","2","143","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","12C4","","","- C70 H48 O21 Zn4 -","- C70 H48 O21 Zn4 -","- C280 H192 O84 Zn16 -","4","0.25","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.1245","0.0767","","","0.2138","0.2301","","","","","","0.945","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209005","21.4744","0.0013","21.4744","0.0013","21.4744","0.0013","90","","90","","90","","9902.9","1","153","2","153","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","15C5","","","- C60 H24 O13 Zn4 -","- C60 H18 O13 Zn4 -","- C120 H36 O26 Zn8 -","2","0.0208333","","Liu, Lei; Wang, Xiaojun; Zhang, Quan; Li, Qiaowei; Zhao, Yanli","Distinct interpenetrated metal‒organic frameworks constructed from crown ether-based strut analogue","CrystEngComm","2013","15","5","841","","10.1039/c2ce26401c","","","0.71073","MoKα","","0.146","0.0921","","","0.2759","0.315","","","","","","1.105","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209006","17.79","0.002","15.5454","0.0017","9.3054","0.001","90","","114.886","0.002","90","","2334.5","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","1_CS2","","","- C44.87 H44 Cd2 Cl4 N8 S1.74 -","- C44.87 H44 Cd2 Cl4 N8 S1.74 -","- C89.74 H88 Cd4 Cl8 N16 S3.48 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0449","0.0427","","","0.1063","0.1078","","","","","","1.105","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209007","17.179","0.002","15.8014","0.0019","9.6965","0.0011","90","","114.179","0.002","90","","2401.2","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","2_2MeOH","","","- C46 H52 Br4 Cd2 N8 O2 -","- C46 H52 Br4 Cd2 N8 O2 -","- C92 H104 Br8 Cd4 N16 O4 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0385","0.0331","","","0.0815","0.0848","","","","","","1.04","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209008","17.478","0.002","15.809","0.002","9.3913","0.0013","90","","114.457","0.002","90","","2362.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C44.87 H44 Br4 Cd2 N8 S1.74 -","- C44.87 H44 Br4 Cd2 N8 S1.74 -","- C89.74 H88 Br8 Cd4 N16 S3.48 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0624","0.0439","","","0.0929","0.0994","","","","","","1.046","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209009","18.001","0.003","15.844","0.003","9.353","0.0015","90","","114.239","0.003","90","","2432.4","0.7","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","2_vac","","","- C44 H44 Br4 Cd2 N8 -","- C44 H44 Br4 Cd2 N8 -","- C88 H88 Br8 Cd4 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0928","0.0454","","","0.0937","0.1125","","","","","","0.97","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209010","17.799","0.002","16.188","0.002","9.4162","0.0012","90","","113.843","0.002","90","","2481.5","0.5","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","3_CH2Cl2","","","- C45 H46 Cd2 Cl2 I4 N8 -","- C45.04 H46.08 Cd2 Cl2.08 I4 N8 -","- C90.08 H92.16 Cd4 Cl4.16 I8 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0407","0.0311","","","0.0674","0.09","","","","","","1.165","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209011","18.281","0.003","16.193","0.003","9.2445","0.0017","90","","113.271","0.003","90","","2514","0.8","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","3_CHCl3","","","- C45 H45 Cd2 Cl3 I4 N8 -","- C45 H45 Cd2 Cl3 I4 N8 -","- C90 H90 Cd4 Cl6 I8 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0585","0.0535","","","0.1419","0.1447","","","","","","1.109","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209012","17.584","0.003","16.19","0.003","9.4187","0.0015","90","","113.809","0.002","90","","2453.2","0.7","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","3_CS2","","","- C44.76 H44 Cd2 I4 N8 S1.52 -","- C44.76 H44 Cd2 I4 N8 S1.52 -","- C89.52 H88 Cd4 I8 N16 S3.04 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0869","0.0775","","","0.1562","0.1596","","","","","","1.347","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209013","18.081","0.002","16.3388","0.0018","9.322","0.001","90","","113.628","0.002","90","","2523.1","0.5","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","3_vac","","","- C44 H44 Cd2 I4 N8 -","- C44 H44 Cd2 I4 N8 -","- C88 H88 Cd4 I8 N16 -","2","0.25","","Jacobs, Tia; Barbour, Leonard J.","Solvent diffusion and binding in a ‘nonporous’ molecular crystal","CrystEngComm","2013","15","8","1512","","10.1039/c2ce26404h","","","0.71073","MoKα","","0.0577","0.052","","","0.143","0.148","","","","","","1.098","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209014","20.94","0.004","10.563","0.002","14.998","0.003","90","","91.14","0.03","90","","3316.7","1.1","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-p-tolyl-1,2,3,5-dithiadiazolyl","","","- C8 H7 N2 S2 -","- C8 H7 N2 S2 -","- C128 H112 N32 S32 -","16","2","","Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M.","Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2","CrystEngComm","2013","15","6","1107","","10.1039/c2ce26431e","","","0.71073","MoKα","","0.0466","0.033","","","0.077","0.0844","","","","","","1.086","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209015","5.9118","0.0012","13.36","0.003","10.963","0.002","90","","105.11","0.03","90","","835.9","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-m-tolyl-1,2,3,5-dithiadiazolyl","","","- C8 H7 N2 S2 -","- C8 H7 N2 S2 -","- C32 H28 N8 S8 -","4","2","","Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M.","Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2","CrystEngComm","2013","15","6","1107","","10.1039/c2ce26431e","","","0.71073","MoKα","","0.0371","0.0362","","","0.0935","0.0945","","","","","","1.048","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209016","7.8589","0.0016","14.917","0.003","55.362","0.011","90","","92.445","0.003","90","","6484","2","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-o-tolyl-1,2,3,5-dithiadiazolyl","","","- C8 H7 N2 S2 -","- C8 H7 N2 S2 -","- C256 H224 N64 S64 -","32","8","","Beldjoudi, Yassine; Haynes, Delia A.; Hayward, John J.; Manning, Wallace J.; Pratt, Douglas R.; Rawson, Jeremy M.","Preparation and crystal structures of the isomeric series 4-tolyl-1,2,3,5-dithiadiazolyl, (o-MeC6H4CNSSN)2, (m-MeC6H4CNSSN)2 and (p-MeC6H4CNSSN)2","CrystEngComm","2013","15","6","1107","","10.1039/c2ce26431e","","","0.71073","MoKα","","0.1679","0.0746","","","0.1366","0.1696","","","","","","0.983","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209017","7.7097","0.0011","19.332","0.002","9.3678","0.0012","90","","93.144","0.009","90","","1394.1","0.3","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","2","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0582","0.0359","","","0.0767","0.0864","","","","","","1.022","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209018","9.893","0.0002","9.893","0.0002","40.122","0.0016","90","","90","","90","","3926.8","0.19","296","2","296","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- C22 H30 O2 -","- C22 H30 O2 -","- C176 H240 O16 -","8","1","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0958","0.0531","","","0.0894","0.1012","","","","","","1.057","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209019","9.4979","0.0004","16.7194","0.0006","5.6273","0.0002","90","","90","","90","","893.61","0.06","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C40 H44 O8 -","2","0.5","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0426","0.0336","","","0.0879","0.0941","","","","","","1.059","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209020","9.6636","0.0024","23.3522","0.0052","11.4105","0.0027","90","","114.896","0.0147","90","","2335.7","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H15 Br O -","- C11 H15 Br O -","- C88 H120 Br8 O8 -","8","4","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.0931","0.0435","","","0.0813","0.0937","","","","","","0.936","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209021","19.2144","0.0006","13.7947","0.0004","23.5076","0.0007","90","","106.596","0.0016","90","","5971.3","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C256 H288 O32 -","16","4","","Yeung, Chi-Tung; Yeung, Ho-Lun; Chan, Wesley Ting Kwok; Yan, Siu-Cheong; Tam, Eric C. Y.; Wong, Ka-Leung; Lee, Chi-Sing; Wong, Wing-Tak","Stereolabile chiral biphenyl hybrids: crystallization-induced dynamic atropselective resolution involving supramolecular interactions","CrystEngComm","2013","15","5","836","","10.1039/c2ce26438b","","","0.71073","MoKα","","0.1185","0.0861","","","0.2584","0.3044","","","","","","1.066","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209022","12.4527","0.0018","13.616","0.002","13.984","0.002","90","","90","","90","","2371.1","0.6","291","2","291","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C2 H6 Mn O6 S -","- C2 H6 Mn O6 S -","- C32 H96 Mn16 O96 S16 -","16","0.5","","Ge, Gen-Wu; Qi, Zhi-Yuan; Miao, Yu-Run; Du, Hong-Bin; You, Xiao-Zeng","The synthesis, structure and magnetism studies of two manganese sulfates with a 3D zeolite GIS framework and 1D chain structure","CrystEngComm","2013","15","3","435","","10.1039/c2ce26441b","","","0.71073","MoKα","","0.021","0.0202","","","0.0553","0.0558","","","","","","1.05","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209023","13.0864","0.001","11.9903","0.0009","14.3224","0.0011","90","","90.897","0.002","90","","2247.1","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H28 Mn2 N4 O18 S4 -","- C8 H28 Mn2 N4 O18 S4 -","- C32 H112 Mn8 N16 O72 S16 -","4","1","","Ge, Gen-Wu; Qi, Zhi-Yuan; Miao, Yu-Run; Du, Hong-Bin; You, Xiao-Zeng","The synthesis, structure and magnetism studies of two manganese sulfates with a 3D zeolite GIS framework and 1D chain structure","CrystEngComm","2013","15","3","435","","10.1039/c2ce26441b","","","0.71073","MoKα","","0.0568","0.0447","","","0.1167","0.1238","","","","","","1.046","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209024","4.0517","0.0004","13.9045","0.0014","10.2601","0.0011","90","","94.72","0.004","90","","576.06","0.1","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C22 H26 N6 O6 -","2","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0396","0.0363","","","0.0957","0.0995","","","","","","1.072","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209025","21.0949","0.0017","10.5185","0.0008","3.8315","0.0004","90","","90","","90","","850.16","0.13","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C44 H32 N8 O4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0316","0.0299","","","0.0747","0.0759","","","","","","1.125","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209026","11.4954","0.0017","10.6744","0.0017","15.506","0.003","90","","90","","90","","1902.7","0.6","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C88 H72 N24 O8 -","8","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0495","0.0377","","","0.092","0.0987","","","","","","1.037","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209027","13.9556","0.0014","10.0763","0.0011","8.6383","0.0008","90","","101.106","0.003","90","","1192","0.2","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N3 O3 -","- C11 H13 N3 O3 -","- C44 H52 N12 O12 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0384","0.0347","","","0.0912","0.0939","","","","","","1.043","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209028","21.6741","0.0018","3.7762","0.0003","21.1734","0.0018","90","","102.254","0.005","90","","1693.5","0.2","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H8 N2 O -","- C11 H8 N2 O -","- C88 H64 N16 O8 -","8","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0377","0.0349","","","0.092","0.0951","","","","","","1.079","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209029","14.2517","0.0008","8.1077","0.0006","8.9124","0.0006","90","","90","","90","","1029.81","0.12","90","2","90","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","0.5","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0397","0.0384","","","0.0942","0.0952","","","","","","1.07","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209030","9.1149","0.0002","10.1937","0.0002","10.128","0.0002","90","","91.9285","0.0012","90","","940.51","0.03","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0326","0.0307","","","0.0771","0.0789","","","","","","1.047","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209031","34.844","0.003","13.5225","0.0011","6.7362","0.0005","90","","91.412","0.003","90","","3173","0.4","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Ag2 F0 N12 O4 S0 -","- C44 H36 Ag2 N12 O4 -","- C88 H72 Ag4 N24 O8 -","2","0.25","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0654","0.0578","","","0.1581","0.1621","","","","","","1.189","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209032","11.3883","0.0012","9.4818","0.001","15.1208","0.0016","90","","110.395","0.004","90","","1530.4","0.3","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Ag F3 N3 O4 S -","- C12 H9 Ag F3 N3 O4 S -","- C48 H36 Ag4 F12 N12 O16 S4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0317","0.0292","","","0.071","0.0726","","","","","","1.122","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209033","12.0134","0.0006","9.9549","0.0005","13.2918","0.0007","90","","90.9902","0.0014","90","","1589.36","0.14","90","2","90","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 Ag F3 N3 O5 S -","- C12 H11 Ag F3 N3 O5 S -","- C48 H44 Ag4 F12 N12 O20 S4 -","4","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71069","MoKα","","0.0512","0.0485","","","0.0991","0.1009","","","","","","1.208","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209034","10.2591","0.0008","10.2823","0.0008","11.0872","0.0015","96.288","0.005","103.286","0.005","116.555","0.004","987.45","0.18","90","2","90","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H9 Ag2 F6 N3 O7 S2 -","- C13 H9 Ag2 F6 N3 O7 S2 -","- C26 H18 Ag4 F12 N6 O14 S4 -","2","1","","Argyle, Victoria J.; Woods, Laura M.; Roxburgh, Marina; Hanton, Lyall R.","Triflate anion and ligand influences in silver(i) coordination polymers of four isomeric dipyridyl ketone oximes","CrystEngComm","2013","15","1","120","","10.1039/c2ce26449h","","","0.71073","MoKα","","0.0415","0.0373","","","0.1009","0.108","","","","","","1.066","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209035","13.64","0.002","10.7221","0.0019","18.581","0.003","90","","96.22","0.002","90","","2701.5","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N4 O10 P3 -","- C24 H27 N4 O10 P3 -","- C96 H108 N16 O40 P12 -","4","1","","Chen, Shuo-ping; Deng, Pu; Yuan, Chu-feng; Yuan, Liang-jie","A novel organic salt with water/humidity-induced fluorescence switching and heat-induced coloration performance","CrystEngComm","2013","15","7","1414","","10.1039/c2ce26457a","","","0.71073","MoKα","","0.0743","0.0565","","","0.1562","0.1664","","","","","","1.1","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209036","37.4921","0.0009","37.4921","0.0009","37.4921","0.0009","90","","90","","90","","52701","2","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C141.17 H156.92 Cl7.75 Co N10 O8.58 -","- C140 H144 Cl6 Co N10 O8 -","- C1680 H1728 Cl72 Co12 N120 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6884","synchrotron","","0.1797","0.1455","","","0.4179","0.4358","","","","","","1.581","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209037","37.5208","0.0002","37.5208","0.0002","37.5208","0.0002","90","","90","","90","","52822.2","0.5","150","2","150","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C147.33 H174.33 Cl10.08 Co N9 O11.33 -","- C134 H144 Cl0.0833333 Co N9 O8 -","- C1608 H1728 Cl Co12 N108 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6905","synchrotron","","0.0676","0.0611","","","0.1842","0.1901","","","","","","1.085","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209038","37.1172","0.0004","37.1172","0.0004","37.1172","0.0004","90","","90","","90","","51135.9","1","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C136.33 H155.33 Cl0.17 Co N9 O13.33 -","- C133.6 H144 Cl0.166667 Co N9 O10.5 -","- C1603.2 H1728 Cl2 Co12 N108 O126 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6709","synchrotron","","0.1838","0.1444","","","0.4132","0.4396","","","","","","1.651","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209039","37.5512","0.0003","37.5512","0.0003","37.5512","0.0003","90","","90","","90","","52950.7","0.7","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C169.08 H215.58 Co N9 O20.75 -","- C133.732 H144 Co N9 O9 -","- C1604.78 H1728 Co12 N108 O108 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6905","synchrotron","","0.0944","0.0876","","","0.2881","0.3008","","","","","","1.338","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209040","37.627","0.004","37.627","0.004","37.627","0.004","90","","90","","90","","53272","10","150","2","150","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.83 H150.25 Br2 Cl4.25 Co N8 O9.42 -","- C128 H144 Br2 Co N8 O8 -","- C1536 H1728 Br24 Co12 N96 O96 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1351","0.1172","","","0.3544","0.3724","","","","","","1.471","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209041","37.2791","0.0003","37.2791","0.0003","37.2791","0.0003","90","","90","","90","","51807.9","0.7","100","2","100","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.83 H155.08 Br0.88 Cl4.25 Co N8 O11.42 -","- C128 H144 Br0.87 Co N8 O10 -","- C1536 H1728 Br10.44 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1228","0.1025","","","0.3268","0.3473","","","","","","1.375","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209042","37.017","0.004","37.017","0.004","37.017","0.004","90","","90","","90","","50723","9","100","2","100","2","","","","","","","","7","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.17 H153.42 Br1.32 Cl3.25 Co N8 O11.08 -","- C128 H144 Br1.317 Co N8 O10 -","- C1536 H1728 Br15.804 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.158","0.1359","","","0.3776","0.4015","","","","","","1.535","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209043","37.458","0.005","37.458","0.005","37.458","0.005","90","","90","","90","","52557","12","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C132 H157 Co N9 O8 -","- C132 H155 Co N9 O10 -","- C1584 H1860 Co12 N108 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","Synchrotron","","0.1497","0.1354","","","0.389","0.3993","","","","","","1.6","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209044","37.23","0.004","37.23","0.004","37.23","0.004","90","","90","","90","","51603","10","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C128 H146 Cl2 Co N8 O10 -","- C128 H144 Cl2 Co N8 O10 -","- C1536 H1728 Cl24 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1885","0.1749","","","0.465","0.4776","","","","","","2.003","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209045","37.365","0.004","37.365","0.004","37.365","0.004","90","","90","","90","","52167","10","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130.5 H154.25 Cl5.02 Co N8 O11.25 -","- C128 H144 Cl1.35 Co N8 O10 -","- C1536 H1728 Cl16.2 Co12 N96 O120 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1491","0.1318","","","0.3742","0.3949","","","","","","1.647","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209046","37.6395","0.0003","37.6395","0.0003","37.6395","0.0003","90","","90","","90","","53325.1","0.7","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C130 H157.17 Cl1.5 Co N8 O12.67 -","- C129 H144 Co N8 O12 -","- C1548 H1728 Co12 N96 O144 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1101","0.1043","","","0.3445","0.3528","","","","","","1.603","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209047","37.5719","0.0016","37.5719","0.0016","37.5719","0.0016","90","","90","","90","","53038","4","150","2","150","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C135.5 H157.17 Co N12 O8.75 -","- C134 H144 Co N12 O10.0833 -","- C1608 H1728 Co12 N144 O121 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6939","synchrotron","","0.1037","0.0835","","","0.2717","0.295","","","","","","1.184","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209048","37.603","0.003","37.603","0.003","37.603","0.003","90","","90","","90","","53170","7","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C144.5 H184.25 Cl9.75 Co N12 O15.25 -","- C138 H144 Co N12 O12 -","- C1656 H1728 Co12 N144 O144 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.1223","0.1171","","","0.3932","0.4004","","","","","","1.865","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209049","37.3922","0.0002","37.3922","0.0002","37.3922","0.0002","90","","90","","90","","52280.9","0.5","100","2","100","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C152.5 H176.5 Co N11.5 O8.5 -","- C152.5 H176 Co N11.5 O8.5 -","- C1830 H2112 Co12 N138 O102 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","Synchrotron","","0.1611","0.1508","","","0.4504","0.4565","","","","","","2.143","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209050","37.4908","0.0002","37.4908","0.0002","37.4908","0.0002","90","","90","","90","","52695.6","0.5","100","2","100","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C132 H155 Cl3 Co N9 O9 -","- C132 H145 Cl3 Co N9 O9 -","- C1584 H1740 Cl36 Co12 N108 O108 -","12","0.25","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.671","synchrotron","","0.1843","0.1458","","","0.4153","0.459","","","","","","2.041","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209051","21.336","0.008","16.819","0.006","18.474","0.007","90","","114.455","0.005","90","","6035","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H146 Cl6 Co N8 O8 -","- C130 H146 Cl6 Co N8 O8 -","- C260 H292 Cl12 Co2 N16 O16 -","2","0.5","","Bezzu, C. Grazia; Kariuki, Benson M.; Helliwell, Madeleine; Tuna, Floriana; Warren, John E.; Allan, David R.; McKeown, Neil B.","In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals","CrystEngComm","2013","15","8","1545","","10.1039/c2ce26463c","","","0.6889","synchrotron","","0.0732","0.0684","","","0.1882","0.1949","","","","","","1.046","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209052","21.8547","0.0012","21.8547","0.0013","16.8466","0.0012","90","","90","","120","","6968.4","0.8","293","2","293","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C33 H54 Cu3 N12 O6 S3 -","- C33 H54 Cu3 N12 O6 S3 -","- C198 H324 Cu18 N72 O36 S18 -","6","0.333333","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius","C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering","CrystEngComm","2013","15","2","294","","10.1039/c2ce26469b","","","0.71073","MoKα","","0.0492","0.0299","","","0.0645","0.0712","","","","","","1.036","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209053","20.274","0.003","20.274","0.003","11.094","0.002","90","","90","","120","","3949.1","1.1","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C49 H64 Cu3 N6 O13 -","- C49.02 H60.03 Cu3 N6 O12.99 -","- C147.06 H180.09 Cu9 N18 O38.97 -","3","0.333333","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius","C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering","CrystEngComm","2013","15","2","294","","10.1039/c2ce26469b","","","0.71073","MoKα","","0.0492","0.0384","","","0.075","0.0783","","","","","","1.017","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209054","16.5587","0.0011","12.7837","0.0011","19.7939","0.0012","90","","110.863","0.005","90","","3915.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H43 Cu3 N15 O6 -","- C29 H38 Cu3 N15 O6 -","- C116 H152 Cu12 N60 O24 -","4","1","","Ion, Adrian E.; Nica, Simona; Madalan, Augustin M.; Lloret, Francesc; Julve, Miguel; Andruh, Marius","C3-symmetric trinuclear copper(ii) species as tectons in crystal engineering","CrystEngComm","2013","15","2","294","","10.1039/c2ce26469b","","","0.71073","MoKα","","0.1293","0.0599","","","0.1025","0.1209","","","","","","0.966","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209055","17.353","0.0008","17.7311","0.0008","7.5449","0.0003","90","","90.105","0.001","90","","2321.47","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 Co0.5 N O7.5 P2 -","- C7 H12 Co0.5 N O7.5 P2 -","- C56 H96 Co4 N8 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0427","0.0351","","","0.0955","0.0995","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209056","17.3268","0.0006","17.6256","0.0006","7.5134","0.0003","90","","90.08","0.001","90","","2294.55","0.14","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C7 H12 N Ni0.5 O7.5 P2 -","- C7 H12 N Ni0.5 O7.5 P2 -","- C56 H96 N8 Ni4 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0372","0.0348","","","0.0966","0.0983","","","","","","1.086","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209057","17.0884","0.0011","18.6492","0.0011","7.5691","0.0004","90","","90.174","0.001","90","","2412.1","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co0.5 N O7.5 P2 -","- C8 H12 Co0.5 N O7.5 P2 -","- C64 H96 Co4 N8 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0496","0.0377","","","0.1011","0.1075","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209058","17.096","0.0008","18.5599","0.0008","7.5289","0.0004","90","","90.223","0.001","90","","2388.9","0.2","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N Ni0.5 O7.5 P2 -","- C8 H12 N Ni0.5 O7.5 P2 -","- C64 H96 N8 Ni4 O60 P16 -","8","1","","Zheng, Ming-Jing; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhu, Jiang; Jiao, Cheng-Qi; Chu, Wei; Sun, Shou-Hui; Tian, Hui","Synthesis, crystal structures, and surface photovoltage properties of four new metal diphosphonates based on the mixed ligands","CrystEngComm","2013","15","7","1445","","10.1039/c2ce26472b","","","0.71073","MoKα","","0.0592","0.0482","","","0.1956","0.2264","","","","","","1.022","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209059","14.1357","0.0007","14.1357","0.0007","17.7983","0.0017","90","","90","","90","","3556.4","0.4","100","2","100","2","","","","","","","","8","I 4","I 4","79","","","","- C112 H132 Br4 Cu4 F12 N32 O26 Si2 -","- C112 H112 Br4 Cu4 F12 N32 O26 Si2 -","- C112 H112 Br4 Cu4 F12 N32 O26 Si2 -","1","0.125","","Banerjee, Subhabrata; Adrash, N. N.; Dastidar, Parthasarathi","Anions as additive and template in tuning metallasupramolecular architecture in CuII coordination compounds derived from l-amino acid based chiral ligands","CrystEngComm","2013","15","2","245","","10.1039/c2ce26475g","","","0.71073","MoKα","","0.078","0.0664","","","0.1935","0.2046","","","","","","0.97","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209060","13.5842","0.0004","13.5842","0.0004","14.8502","0.0009","90","","90","","120","","2373.18","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C28 H30 Cl2 Cu N8 O5 -","- C28 H30 Cl2 Cu N8 O5 -","- C84 H90 Cl6 Cu3 N24 O15 -","3","0.5","","Banerjee, Subhabrata; Adrash, N. N.; Dastidar, Parthasarathi","Anions as additive and template in tuning metallasupramolecular architecture in CuII coordination compounds derived from l-amino acid based chiral ligands","CrystEngComm","2013","15","2","245","","10.1039/c2ce26475g","","","0.71073","MoKα","","0.0245","0.0237","","","0.0785","0.0799","","","","","","0.685","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209061","13.292","0.003","15.146","0.003","19.946","0.004","90","","102.23","0.03","90","","3924.4","1.5","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C50 H55 B N10 Ni2 O47 W12 -","- C50 H40 B N10 Ni2 O47 W12 -","- C100 H80 B2 N20 Ni4 O94 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.0993","0.0646","","","0.127","0.1468","","","","","","1.067","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209062","13.2049","0.0009","14.9418","0.0007","20.5766","0.0012","90","","104.651","0.004","90","","3927.9","0.4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H48 Cl2 N10 Ni2 O43 Si W12 -","- C50 H40 Cl2 N10 Ni2 O43 Si W12 -","- C100 H80 Cl4 N20 Ni4 O86 Si2 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.119","0.0698","","","0.1645","0.2042","","","","","","1.034","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209063","13.2049","0.0009","14.9418","0.0007","20.5766","0.0012","90","","104.651","0.004","90","","3927.9","0.4","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C50 H48 Br2 N10 Ni2 O43 Si W12 -","- C50 H40 Br2 N10 Ni2 O43 Si W12 -","- C100 H80 Br4 N20 Ni4 O86 Si2 W24 -","2","1","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.1266","0.0772","","","0.1844","0.2161","","","","","","1.049","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209064","12.216","0.002","17.998","0.003","21.073","0.004","68.599","0.002","86.811","0.002","83.191","0.002","4282.9","1.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H92 Cd2 N18 O126 Si3 W36 -","- C90 H72 Cd2 N18 O126 Si3 W36 -","- C90 H72 Cd2 N18 O126 Si3 W36 -","1","0.5","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.1218","0.0695","","","0.1633","0.1883","","","","","","1.047","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209065","12.2184","0.0012","17.9919","0.0018","21.077","0.002","68.66","0.002","86.836","0.002","83.211","0.002","4285.1","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H92 Cu2 N18 O126 Si3 W36 -","- C90 H72 Cu2 N18 O126 Si3 W36 -","- C90 H72 Cu2 N18 O126 Si3 W36 -","1","0.5","","Wang, Yan; Wang, La-Mei; Li, Zhi-Fang; Hu, Yang-Yang; Li, Guang-Hua; Xiao, Li-Na; Wang, Tie-gang; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing","The syntheses, structures and characterizations of a series of frameworks constructed from polyoxometalates, metals and organic units","CrystEngComm","2013","15","2","285","","10.1039/c2ce26477c","","","0.71073","MoKα","","0.0879","0.0633","","","0.1302","0.1423","","","","","","1.097","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209066","16.523","0.0001","15.9952","0.0003","5.4792","0.0003","90","","90","","90","","1448.09","0.08","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C68 H56 N8 O16 -","4","1","","Eddleston, Mark D.; Sivachelvam, Saranja; Jones, William","Screening for polymorphs of cocrystals: a case study","CrystEngComm","2013","15","1","175","","10.1039/c2ce26496j","","","0.71073","MoKα","","0.0425","0.0357","","","0.0911","0.096","","","","","","1.027","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209067","27.495","0.002","14.043","0.002","4.0898","0.0004","90","","90","","90","","1579.1","0.3","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","","Eddleston, Mark D.; Sivachelvam, Saranja; Jones, William","Screening for polymorphs of cocrystals: a case study","CrystEngComm","2013","15","1","175","","10.1039/c2ce26496j","","","0.71073","MoKα","","0.0697","0.0428","","","0.0932","0.1057","","","","","","1.061","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209068","9.3853","0.0014","9.5439","0.0019","10.2148","0.0016","79.25","0.013","66.306","0.01","80.437","0.013","818.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N6 O4.5 Zn -","- C14 H12 N6 O4.5 Zn -","- C28 H24 N12 O9 Zn2 -","2","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0747","0.0495","","","0.1342","0.2245","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209069","9.478","0.002","9.956","0.003","11.461","0.004","85.54","0.02","82.98","0.02","63.499","0.016","960.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 N7 O9 Zn -","- C14 H11 N7 O9 Zn -","- C28 H22 N14 O18 Zn2 -","2","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0639","0.0537","","","0.1381","0.1469","","","","","","1.091","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209070","20.91","0.004","10.2807","0.0013","20.029","0.003","90","","120.564","0.003","90","","3707.4","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 I N6 O6 Zn -","- C14 H15 I N6 O6 Zn -","- C112 H120 I8 N48 O48 Zn8 -","8","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0524","0.0413","","","0.1233","0.1357","","","","","","1.028","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209071","13.178","0.004","14.361","0.004","16.553","0.004","90","","101.428","0.006","90","","3070.5","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N12 O13 S Zn -","- C20 H32 N12 O13 S Zn -","- C80 H128 N48 O52 S4 Zn4 -","4","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.7107","MoKα","","0.0952","0.0675","","","0.1498","0.1629","","","","","","1.098","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209072","7.0083","0.0016","16.147","0.003","17.274","0.004","90","","93.804","0.006","90","","1950.5","0.7","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N6 O9 Zn -","- C15 H14 N6 O9 Zn -","- C60 H56 N24 O36 Zn4 -","4","1","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.71075","MoKα","","0.0694","0.0557","","","0.1425","0.1515","","","","","","1.064","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209073","17.86","0.002","9.6438","0.001","23.297","0.003","90","","104.683","0.003","90","","3881.6","0.8","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H31 N12 O16.5 Zn3 -","- C30 H30 N12 O16.5 Zn3 -","- C120 H120 N48 O66 Zn12 -","4","0.5","","Zhu, Xia; Chen, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Tuning zinc(ii) coordination polymers based on bis(1,2,4-triazol-1-yl)ethane and 5-substituted 1,3-benzenedicarboxylates: syntheses, structures and properties","CrystEngComm","2013","15","3","471","","10.1039/c2ce26515j","","","0.71075","MoKα","","0.1118","0.0688","","","0.1492","0.1694","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209074","10.7197","0.0002","11.1072","0.0002","13.5033","0.0003","66.951","0.001","68.682","0.001","85.301","0.001","1374.78","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H78 O4 -","- C66 H78 O4 -","- C66 H78 O4 -","1","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0654","0.0456","","","0.1096","0.1216","","","","","","1.006","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209075","14.2198","0.0006","16.0642","0.0008","9.3447","0.0004","90","","105.109","0.002","90","","2060.82","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 N2 O2 -","- C52 H52 N2 O2 -","- C104 H104 N4 O4 -","2","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0643","0.0436","","","0.1059","0.1178","","","","","","1.015","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209076","27.8442","0.0011","9.5895","0.0003","14.243","0.0006","90","","90.527","0.002","90","","3802.9","0.2","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C50 H46 O4 -","- C50 H46 O4 -","- C200 H184 O16 -","4","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0712","0.0585","","","0.1545","0.1627","","","","","","1.077","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209077","10.6049","0.0002","11.0553","0.0003","13.1571","0.0003","106.016","0.001","95.625","0.001","93.744","0.001","1468.64","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H84 N2 O2 -","- C68 H84 N2 O2 -","- C68 H84 N2 O2 -","1","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0602","0.044","","","0.1197","0.1359","","","","","","1.002","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209078","8.975","0.0002","10.0343","0.0002","12.5415","0.0003","93.415","0.001","100.351","0.001","110.989","0.001","1027.87","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H50 O4 -","- C52 H50 O4 -","- C52 H50 O4 -","1","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0659","0.0557","","","0.1476","0.1575","","","","","","1.029","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209079","11.4578","0.0002","12.9959","0.0002","14.1065","0.0003","64.774","0.001","80.205","0.001","73.551","0.001","1819.47","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H42 O4 -","- C48 H42 O4 -","- C96 H84 O8 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.0487","0.0387","","","0.11","0.1192","","","","","","0.985","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209080","12.1123","0.0003","15.8485","0.0004","27.3301","0.0007","90","","99.504","0.001","90","","5174.3","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H72 O3 -","- C64 H72 O3 -","- C256 H288 O12 -","4","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Crystalline inclusion compounds of new elongated bisfluorenol hosts with protic guest molecules","CrystEngComm","2013","15","3","586","","10.1039/c2ce26518d","","","0.71073","MoKα","","0.1105","0.0526","","","0.1143","0.1419","","","","","","1.005","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209081","15.4565","0.0002","28.6559","0.0003","16.8825","0.0002","90","","91.2664","0.0006","90","","7475.77","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42.5 H44 Cd7.5 N51 O6.5 -","- C42.5 H35 Cd7.5 N51 O6.5 -","- C170 H140 Cd30 N204 O26 -","4","1","","Bai, Shi-Qiang; Fang, Chen-Jie; He, Zheng; Gao, En-Qing; Yan, Chun-Hua; Hor, T. S. Andy","Azide-bridged Cd(ii) 1D coordination polymer with Cd13 nano-crown-like cluster","CrystEngComm","2013","15","4","650","","10.1039/c2ce26525g","","","0.71073","MoKα","","0.0994","0.037","","","0.0677","0.0773","","","","","","0.89","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209082","8.173","0.012","11.626","0.017","11.735","0.017","64.73","0.02","74.09","0.03","89.31","0.03","963","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Hydrate of 1:1 cocrystal of Temozolomide and Formic acid","Hydrate of 1:1 cocrystal of Temozolomide and Formic acid","","- C13 H16 N12 O7 -","- C13 H16 N12 O7 -","- C26 H32 N24 O14 -","2","1","","Babu, N. Jagadeesh; Sanphui, Palash; Nath, Naba K.; Khandavilli, U. B. Rao; Nangia, Ashwini","Temozolomide hydrochloride dihydrate","CrystEngComm","2013","15","4","666","","10.1039/c2ce26528a","","","0.71073","MoKα","","0.118","0.0588","","","0.1247","0.1475","","","","","","0.949","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209083","6.453","0.015","10.37","0.02","17.84","0.04","97.8","0.04","90.44","0.04","98.27","0.04","1170","4","446","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cl2 N12 O8 -","- C12 H22 Cl2 N12 O8 -","- C24 H44 Cl4 N24 O16 -","2","1","","Babu, N. Jagadeesh; Sanphui, Palash; Nath, Naba K.; Khandavilli, U. B. Rao; Nangia, Ashwini","Temozolomide hydrochloride dihydrate","CrystEngComm","2013","15","4","666","","10.1039/c2ce26528a","","","0.71073","MoKα","","0.1885","0.1274","","","0.2859","0.3157","","","","","","1.183","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209084","7.1159","0.0014","17.478","0.003","15.208","0.003","90","","96.66","0.03","90","","1878.7","0.6","113","2","113.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C37 H34 Cd Cl2 N8 O10 -","- C37 H28 Cd Cl2 N8 O10 -","- C74 H56 Cd2 Cl4 N16 O20 -","2","0.25","","Liu, Chao; Cui, Guang-Hua; Zou, Kang-Yu; Zhao, Jun-Long; Gou, Xiao-Feng; Li, Zuo-Xi","Unusual six-connected self-catenated network with 5-fold interpenetrated CdSO4 subnets: stepwise synthesis, topology analysis and fluorescence properties","CrystEngComm","2013","15","2","324","","10.1039/c2ce26532j","","","0.71073","MoKα","","0.0551","0.0542","","","0.1452","0.1461","","","","","","1.068","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209085","10.558","0.002","25.831","0.005","16.593","0.003","90","","96.93","0.03","90","","4492.2","1.5","113","2","113.15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C36 H28 Cd Cl2 N8 O4 -","- C36 H28 Cd Cl2 N8 O4 -","- C144 H112 Cd4 Cl8 N32 O16 -","4","1","","Liu, Chao; Cui, Guang-Hua; Zou, Kang-Yu; Zhao, Jun-Long; Gou, Xiao-Feng; Li, Zuo-Xi","Unusual six-connected self-catenated network with 5-fold interpenetrated CdSO4 subnets: stepwise synthesis, topology analysis and fluorescence properties","CrystEngComm","2013","15","2","324","","10.1039/c2ce26532j","","","0.71073","MoKα","","0.1078","0.0694","","","0.1566","0.1746","","","","","","1.051","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209086","22.5733","0.0013","4.89448","0.00021","18.3874","0.0009","90","","108.519","0.0027","90","","1926.33","0.17","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","from D:/data/P.Sapui/gsas_26052012/ps1.cif","","","- C21 H18 Cl N O6 -","- C21 H18 Cl N O6 -","- C84 H72 Cl4 N4 O24 -","4","1","","Sanphui, Palash; Bolla, Geetha; Das, Uday; Mukherjee, Alok K.; Nangia, Ashwini","Acemetacin polymorphs: a rare case of carboxylic acid catemer and dimer synthons","CrystEngComm","2013","15","1","34","","10.1039/c2ce26534f","powder diffraction","x-ray","1.5406","","","","","","","","","0.06165","","2.31","","","","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209087","11.858","0.003","4.8452","0.0009","16.785","0.003","90","","102.47","0.02","90","","941.6","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl N O6 -","- C21 H18 Cl N O6 -","- C42 H36 Cl2 N2 O12 -","2","1","","Sanphui, Palash; Bolla, Geetha; Das, Uday; Mukherjee, Alok K.; Nangia, Ashwini","Acemetacin polymorphs: a rare case of carboxylic acid catemer and dimer synthons","CrystEngComm","2013","15","1","34","","10.1039/c2ce26534f","","","0.71073","MoKα","","0.1903","0.0882","","","0.1219","0.1598","","","","","","0.998","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209088","46.332","0.002","46.332","0.002","12.6066","0.0006","90","","90","","120","","23436.4","1.8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","DiOPrTetraAcidPy","","","- C58 H58 N4 O13 -","- C58 H56 N4 O13 -","- C1044 H1008 N72 O234 -","18","1","","Kennedy, Stuart; Cholewa, Piotr; McIntosh, Ruaraidh D.; Dalgarno, Scott J.","Eliminating disorder in a self-assembled calixarene nanotube","CrystEngComm","2013","15","8","1520","","10.1039/c2ce26536b","","","0.71073","MoKα","","0.1418","0.0977","","","0.2749","0.2901","","","","","","1.739","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209089","8.7709","0.0008","11.2786","0.0011","25.176","0.003","90","","90","","90","","2490.5","0.4","296","2","296","2","","","","","","","","6","I m m m","-I 2 2","71","","","","- C4 H18 In3 N3 O2 Te5 -","- C4 H13 In3 N3 O2 Te5 -","- C16 H52 In12 N12 O8 Te20 -","4","0.25","","Hu, Feilong; Zhou, Jian; Liu, Xing; Chen, Rong; Fu, Wensheng; Wei, Yuanchun","A novel 1-D telluridoindate based on rare tetramer [In4Te10]4− unit with photocatalytic properties","CrystEngComm","2013","15","6","1194","","10.1039/c2ce26537k","","","0.71073","MoKα","","0.0401","0.036","","","0.1109","0.1148","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209090","8.9884","0.0009","9.3145","0.0009","9.8343","0.0011","94.624","0.004","104.185","0.003","98.138","0.005","784.49","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 N O12 Zn2 -","- C12 H11 N O12 Zn2 -","- C24 H22 N2 O24 Zn4 -","2","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0548","0.0493","","","0.1351","0.1401","","","","","","1.055","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209091","15.7991","0.0012","11.4257","0.0006","18.7582","0.0012","90","","103.367","0.004","90","","3294.4","0.4","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H19 N4 O10 Zn3 -","- C27 H19 N4 O10 Zn3 -","- C108 H76 N16 O40 Zn12 -","4","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0417","0.0369","","","0.1221","0.1287","","","","","","1.022","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209092","6.761","0.002","10.374","0.003","11.889","0.003","92.286","0.004","95.457","0.002","98.643","0.004","819.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cd2 N O12 -","- C12 H13 Cd2 N O12 -","- C24 H26 Cd4 N2 O24 -","2","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0319","0.0232","","","0.0636","0.0887","","","","","","1.088","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209093","18.0861","0.0006","14.2083","0.0003","19.298","0.0005","90","","97.836","0.002","90","","4912.8","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H35 Cd4 N4 O22.5 -","- C34 H22 Cd4 N4 O22.5 -","- C136 H88 Cd16 N16 O90 -","4","1","","Ma, Jie; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Xiong, Ke-Cai; Han, Dong; Jiang, Fei-Long; Hong, Mao-Chun","Auxiliary ligand-directed and counter anion-templated effects on coordination networks based on semirigid 2-aminodiacetic terephthalic acid ligand","CrystEngComm","2013","15","5","911","","10.1039/c2ce26553b","","","0.71073","MoKα","","0.0455","0.0433","","","0.1184","0.1206","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209094","8.4133","0.0017","9.7073","0.0019","11.035","0.002","81.28","0.03","87.91","0.03","75.48","0.03","862.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(2-amino-1,3-benzothiazole-6-carboxylate)-cadmium(ii)","","","- C16 H10 Cd N4 O4 S2 -","- C16 H10 Cd N4 O4 S2 -","- C32 H20 Cd2 N8 O8 S4 -","2","1","","Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong","Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions","CrystEngComm","2013","15","2","343","","10.1039/c2ce26559a","","","0.71073","MoKα","","0.0381","0.0359","","","0.1004","0.1033","","","","","","0.912","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209095","13.655","0.003","13.995","0.003","13.136","0.003","90","","94.14","0.03","90","","2503.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Cd N4 O4 S2 -","- C30 H10 Cd N4 O4 S2 -","- C120 H40 Cd4 N16 O16 S8 -","4","0.5","","Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong","Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions","CrystEngComm","2013","15","2","343","","10.1039/c2ce26559a","","","0.71073","MoKα","","0.0781","0.0723","","","0.1873","0.1914","","","","","","1.322","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209096","13.655","0.003","13.995","0.003","13.136","0.003","90","","94.14","0.03","90","","2503.8","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Cd N4 O4 S2 -","- C16 H10 Cd N4 O4 S2 -","- C64 H40 Cd4 N16 O16 S8 -","4","0.5","","Yu, Hai-Yang; Fang, Xin; Zhang, Ke-Ke; Lin, Mei-Jin; Gao, Dan; Huang, Ming-Dong; Wang, Jun-Dong","Hydrothermal synthesis of benzothiazole‒carboxylic cadmium(ii) coordination networks: pH-controlled topologies and compositional distributions","CrystEngComm","2013","15","2","343","","10.1039/c2ce26559a","","","0.71073","MoKα","","0.0604","0.0528","","","0.1738","0.1793","","","","","","1.239","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209097","32.122","0.017","15.681","0.008","7.105","0.004","90","","90","","90","","3579","3","105","2","105","2","","","","","","","","4","P m n a","-P 2ac 2","53","","2,2'-Bipyridine-5,5'-dicarboxylate.Bis(1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a] pyrimidinium)","","- C13 H21 N4 O6.708 -","- C13 H21 N4 O6.71 -","- C104 H168 N32 O53.68 -","8","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","A supramolecular 2 : 1 guanidinium‒carboxylate based building block for generation of water channels and clusters in organic materials","CrystEngComm","2013","15","3","439","","10.1039/c2ce26572a","","","0.71073","MoKα","","0.1259","0.0632","","","0.1614","0.1995","","","","","","1.008","","","","has coordinates,has disorder","180421","2020-10-21","18:00:00",""
"7209098","8.5504","0.0012","9.4858","0.0013","10.3928","0.0014","66.749","0.001","69.257","0.001","89.901","0.002","714.86","0.17","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 N8 O8 -","- C26 H42 N8 O8 -","- C26 H42 N8 O8 -","1","0.5","","Yadav, Vitthal N.; Görbitz, Carl Henrik","A supramolecular 2 : 1 guanidinium‒carboxylate based building block for generation of water channels and clusters in organic materials","CrystEngComm","2013","15","3","439","","10.1039/c2ce26572a","","","0.71073","MoKα","","0.0426","0.0382","","","0.103","0.1076","","","","","","1.056","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209099","10.395","0.002","12.82","0.003","13.611","0.003","78.43","0.03","76.51","0.03","74","0.03","1677.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 3-methyl-4- nitrobenzoate.pentahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 3-methyl-4-nitrobenzoate.pentahydrate","","- C33 H32 Co N5 O12 -","- C33 H28 Co N5 O12 -","- C66 H56 Co2 N10 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0363","0.0313","","","0.0869","0.0906","","","","","","1.031","","","","has coordinates","180421","2020-10-21","18:00:00",""
"7209100","10.317","0.002","12.688","0.003","13.277","0.003","76.71","0.03","79.98","0.03","88.97","0.03","1665.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 2-chloro-4- nitrobenzoate.pentahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-chloro-4-nitrobenzoate.pentahydrate","","- C32 H29 Cl Co N5 O12 -","- C32 H25 Cl Co N5 O12 -","- C64 H50 Cl2 Co2 N10 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0496","0.0435","","","0.1298","0.1361","","","","","","1.044","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209101","11.227","0.002","12.46","0.003","15.064","0.003","105.26","0.03","102.43","0.03","100.5","0.03","1920.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- methoxybenzoate.octahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-methoxybenzoate.octahydrate","","- C38 H41 Co N4 O14 -","- C38 H35 Co N4 O14 -","- C76 H70 Co2 N8 O28 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0823","0.0586","","","0.1476","0.1597","","","","","","1.053","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209102","10.287","0.002","13.078","0.003","13.134","0.003","70.22","0.03","83.92","0.03","72.95","0.03","1589.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 4- nitrobenzoate.pentahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 4-nitrobenzoate.pentahydrate","","- C32 H30 Co N5 O12 -","- C32 H28 Co N5 O12 -","- C64 H56 Co2 N10 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0536","0.0389","","","0.1061","0.1126","","","","","","1.038","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209103","11.284","0.002","12.636","0.003","14.396","0.003","67.41","0.03","77.95","0.03","64.21","0.03","1704.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- iodobenzoate.heptahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-iodobenzoate.heptahydrate","","- C32 H34 Co I N4 O12 -","- C32 H34 Co I N4 O12 -","- C64 H68 Co2 I2 N8 O24 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.051","0.0414","","","0.1164","0.122","","","","","","1.076","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209104","10.3056","0.0014","12.0933","0.0014","12.9967","0.0017","79.683","0.005","87.857","0.005","79.362","0.005","1566.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","carbonatobis(1,10-phenanthroline)cobalt(iii) 3- nitrobenzoate.tetrahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 3-nitrobenzoate.tetrahydrate","","- C32 H28 Co N5 O11 -","- C32 H24 Co N5 O11 -","- C64 H48 Co2 N10 O22 -","2","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.1112","0.0621","","","0.1291","0.1422","","","","","","1.036","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209105","16.3601","0.0003","16.1545","0.0003","14.0117","0.0003","90","","103.027","0.001","90","","3607.84","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- napthaleneacetate.heptahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-napthaleneacetate.heptahydrate","","- C37 H39 Co N4 O12 -","- C37 H39 Co N4 O12 -","- C148 H156 Co4 N16 O48 -","4","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0663","0.0376","","","0.086","0.0939","","","","","","1.037","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209106","13.2762","0.0003","19.9687","0.0005","14.0664","0.0003","90","","115.851","0.001","90","","3355.95","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","carbonatobis(1,10-phenanthroline)cobalt(iii) 2- chlorobenzoate.heptahydrate","carbonatobis(1,10-phenanthroline)cobalt(III) 2-chlorobenzoate.heptahydrate","","- C32 H34 Cl Co N4 O12 -","- C32 H30 Cl Co N4 O12 -","- C128 H120 Cl4 Co4 N16 O48 -","4","1","","Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth","Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions","CrystEngComm","2013","15","6","1153","","10.1039/c2ce26573g","","","0.71073","MoKα","","0.0846","0.0522","","","0.15","0.1681","","","","","","1.061","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209107","8.3012","0.0017","12.94","0.003","14.208","0.003","111.01","0.03","96.22","0.03","91.11","0.03","1413.5","0.6","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","Nitrofurantoin-pyridine(1:1)","","- C13 H11 N5 O5 -","- C13 H11 N5 O5 -","- C52 H44 N20 O20 -","4","2","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0792","0.0721","","","0.1772","0.1831","","","","","","1.209","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209108","7.0324","0.0014","22.647","0.004","10.031","0.004","90","","112.38","0.02","90","","1477.2","0.7","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Nitrofurantoin and 2-Picoline(1:1)","","- C14 H13 N5 O5 -","- C14 H13 N5 O5 -","- C56 H52 N20 O20 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0685","0.0603","","","0.1468","0.1595","","","","","","1.174","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209109","6.1489","0.0012","7.4328","0.0015","16.446","0.003","85.35","0.03","85.97","0.03","83.67","0.03","743.2","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Nitrofurantoin-3-picoline(1:1)","Nitrofurantoin-3-picoline(1:1)","","- C14 H13 N5 O5 -","- C14 H13 N5 O5 -","- C28 H26 N10 O10 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0634","0.0607","","","0.1577","0.1606","","","","","","1.157","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209110","15.268","0.006","6.4161","0.0019","8.461","0.003","90","","105.286","0.005","90","","799.5","0.5","110","2","110","2","","","","","","","","4","P 1 c 1","P -2yc","7","1:1:1 solvate of nitrofurantoin, 3-picoline and water","1:1:1 solvate of nitrofurantoin, 3-picoline and water","","- C14 H15 N5 O6 -","- C14 H15 N5 O6 -","- C28 H30 N10 O12 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71075","MoKα","","0.0345","0.0333","","","0.0823","0.0833","","","","","","1.075","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209111","14.84","0.003","8.0152","0.0016","12.951","0.003","90","","91.12","0.03","90","","1540.2","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1 nitrofurantoin and 4-picoline","1:1 nitrofurantoin and 4-picoline","","- C14 H13 N5 O5 -","- C14 H13 N5 O5 -","- C56 H52 N20 O20 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.1049","0.0847","","","0.1879","0.2019","","","","","","1.183","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209112","8.1736","0.0016","9.3544","0.0019","11.894","0.002","103.46","0.03","109.31","0.03","90.14","0.03","831.5","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","1:1:1 cocrystal of nitrofurantoin, 2-pyridone and acetonitrile","1:1:1 nitrofurantoin, 2-pyridone and acetonitrile","","- C15 H14 N6 O6 -","- C15 H14 N6 O6 -","- C30 H28 N12 O12 -","2","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0642","0.0622","","","0.1714","0.1744","","","","","","1.147","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209113","8.616","0.004","26.655","0.011","7.029","0.003","90","","100.722","0.009","90","","1586.1","1.2","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1:1 salt of nitrofurantoin and 4-dimethylaminopyridine","","- C15 H16 N6 O5 -","- C15 H16 N6 O5 -","- C60 H64 N24 O20 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71075","MoKα","","0.1133","0.0996","","","0.1785","0.1857","","","","","","1.247","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209114","7.2712","0.0015","18.918","0.004","15.451","0.004","90","","117.41","0.02","90","","1886.8","0.8","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1:1:1 cocrystal of nitrofurantoin, 2-pyridone and acetonitrile","1:1:1 cocrystal of nitrofurantoin, 2-pyridone and acetonitrile","","- C17 H17 N7 O6 -","- C17 H17 N7 O6 -","- C68 H68 N28 O24 -","4","1","","Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.","The solvates and salt of antibiotic agent, nitrofurantoin: structural, thermochemical and desolvation studies","CrystEngComm","2013","15","5","878","","10.1039/c2ce26575c","","","0.71073","MoKα","","0.0402","0.0382","","","0.0965","0.098","","","","","","1.118","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209115","7.1843","0.0007","11.8503","0.0012","13.9092","0.0014","114.553","0.003","95.716","0.001","91.176","0.002","1069.23","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N7 O10 -","- C20 H19 N7 O10 -","- C40 H38 N14 O20 -","2","1","","Seth, Saikat Kumar; Manna, Prankrishna; Singh, N. Jiten; Mitra, Monojit; Jana, Atish Dipankar; Das, Amrita; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Kim, Kwang S.","Molecular architecture using novel types of non-covalent π-interactions involving aromatic neutrals, aromatic cations and π-anions","CrystEngComm","2013","15","7","1285","","10.1039/c2ce26577j","","","0.71073","MoKα","","0.0354","0.033","","","0.0894","0.0917","","","","","","1.035","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209116","7.9465","0.0014","8.1567","0.0014","7.9743","0.0014","90","","116.379","0.011","90","","463.05","0.15","435","2","435","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","0.5","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0613","0.0444","","","0.1358","0.1459","","","","","","1.123","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209117","8.0233","0.0001","8.308","0.0002","13.5868","0.0003","90","","90","","90","","905.66","0.03","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C24 H64 Br4 N4 -","4","1","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0219","0.0187","","","0.0446","0.0463","","","","","","1.024","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209118","7.8586","0.0005","8.0818","0.0005","7.8918","0.0005","90","","116.29","0.004","90","","449.38","0.05","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H16 Br N -","- C6 H16 Br N -","- C12 H32 Br2 N2 -","2","1","","Piecha, Anna; Gągor, Anna; Jakubas, Ryszard; Szklarz, Przemysław","Room-temperature ferroelectricity in diisopropylammonium bromide","CrystEngComm","2013","15","5","940","","10.1039/c2ce26580j","","","0.71073","MoKα","","0.0308","0.023","","","0.0453","0.0459","","","","","","0.864","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209119","22.707","0.003","10.2165","0.0011","15.1394","0.0016","90","","124.543","0.001","90","","2892.9","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H22 Co N4 O6 S -","- C32 H22 Co N4 O6 S -","- C128 H88 Co4 N16 O24 S4 -","4","1","","Zhou, Hong; Liu, Guang-Xiang; Wang, Xiao-Feng; Wang, Yan","Three cobalt(ii) coordination polymers based on V-shaped aromatic polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal structures, physical properties and theoretical studies","CrystEngComm","2013","15","7","1377","","10.1039/c2ce26606g","","","0.71073","MoKα","","0.0299","0.0283","","","0.0723","0.0735","","","","","","1.035","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209120","49.698","0.004","7.2513","0.0006","21.8865","0.0019","90","","93.513","0.001","90","","7872.5","1.1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H29 Co2 N6 O11 S -","- C43 H29 Co2 N6 O11 S -","- C344 H232 Co16 N48 O88 S8 -","8","1","","Zhou, Hong; Liu, Guang-Xiang; Wang, Xiao-Feng; Wang, Yan","Three cobalt(ii) coordination polymers based on V-shaped aromatic polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal structures, physical properties and theoretical studies","CrystEngComm","2013","15","7","1377","","10.1039/c2ce26606g","","","0.71073","MoKα","","0.0772","0.051","","","0.1237","0.139","","","","","","1.039","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209121","14.909","0.003","7.1963","0.0015","24.592","0.005","90","","104.312","0.002","90","","2556.6","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H15 Co F6 N2 O4 -","- C26 H15 Co F6 N2 O4 -","- C104 H60 Co4 F24 N8 O16 -","4","1","","Zhou, Hong; Liu, Guang-Xiang; Wang, Xiao-Feng; Wang, Yan","Three cobalt(ii) coordination polymers based on V-shaped aromatic polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal structures, physical properties and theoretical studies","CrystEngComm","2013","15","7","1377","","10.1039/c2ce26606g","","","0.71073","MoKα","","0.1006","0.067","","","0.1487","0.1653","","","","","","1.015","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209122","39.7834","0.0004","39.7834","0.0004","39.7834","0.0004","90","","90","","90","","62965.9","1.1","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C166 H96 Cu24 N22 O78 -","- C166 H96 Cu24 N22 O78 -","- C1328 H768 Cu192 N176 O624 -","8","0.0416667","","Lian, Ting-Ting; Chen, Shu-Mei; Wang, Fei; Zhang, Jian","Metal‒organic framework architecture with polyhedron-in-polyhedron and further polyhedral assembly","CrystEngComm","2013","15","6","1036","","10.1039/c2ce26611c","","","0.71073","MoKα","","0.0589","0.0479","","","0.1447","0.1568","","","","","","1.117","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209123","18.2266","0.0006","10.3496","0.0004","9.1663","0.0003","90","","90","","90","","1729.11","0.1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H16 N8 O3 Zn -","- C11 H9 N7 O2 Zn -","- C44 H36 N28 O8 Zn4 -","4","1","","Yang, E.; Li, Hong-Yan; Wang, Fei; Yang, Hui; Zhang, Jian","Enhancing CO2 adsorption enthalpy and selectivity via amino functionalization of a tetrahedral framework material","CrystEngComm","2013","15","4","658","","10.1039/c2ce26612a","","","0.71073","MoKα","","0.0509","0.0412","","","0.0951","0.1002","","","","","","1.008","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209124","9.4138","0.0006","12.1688","0.0008","13.0313","0.0009","88.29","0.008","88.203","0.008","71.209","0.008","1412.23","0.18","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N10 Ni S2 -","- C22 H24 N10 Ni S2 -","- C44 H48 N20 Ni2 S4 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.056","0.0431","","","0.1153","0.1212","","","","","","1.032","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209125","8.1708","0.0006","13.4538","0.0014","15.202","0.0013","101.707","0.011","99.997","0.01","96.51","0.011","1592.3","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 N12 Ni S2 -","- C27 H29 N12 Ni S2 -","- C54 H58 N24 Ni2 S4 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0809","0.0633","","","0.167","0.1796","","","","","","0.985","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209126","8.3977","0.0007","11.9808","0.0012","15.0476","0.0012","98.015","0.011","100.532","0.009","94.328","0.011","1466","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H30 N10 Ni O S2 -","- C24 H30 N10 Ni O S2 -","- C48 H60 N20 Ni2 O2 S4 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0652","0.0559","","","0.1812","0.1877","","","","","","1.063","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209127","6.9271","0.0007","8.0392","0.001","9.2125","0.001","107.194","0.013","112.256","0.012","99.445","0.013","430.91","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 N6 Ni O2 S2 -","- C12 H16 N6 Ni O2 S2 -","- C12 H16 N6 Ni O2 S2 -","1","0.5","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0604","0.0439","","","0.1085","0.1165","","","","","","0.996","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209128","7.3832","0.0004","10.0762","0.0004","13.9767","0.0007","90","","104.536","0.004","90","","1006.51","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N6 Ni O2 S2 -","- C14 H20 N6 Ni O2 S2 -","- C28 H40 N12 Ni2 O4 S4 -","2","0.5","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0339","0.0276","","","0.0695","0.0723","","","","","","1.06","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209129","9.05","0.0007","11.3575","0.0008","24.0133","0.0016","84.29","0.006","85.96","0.006","79.693","0.006","2412.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H44 N18 Ni2 O S4 -","- C39 H44 N18 Ni2 O S4 -","- C78 H88 N36 Ni4 O2 S8 -","2","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.1479","0.1077","","","0.2853","0.3258","","","","","","1.067","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209130","18.33206","0.00042","9.39332","0.00022","11.2837","0.00027","90","","124.643","0.0019","90","","1598.56","0.07","300","","300","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N6 Ni S2 -","- C12 H12 N6 Ni S2 -","- C48 H48 N24 Ni4 S8 -","4","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.512","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7209131","14.2691","0.0011","5.6188","0.0004","13.7419","0.001","90","","101.886","0.009","90","","1078.14","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N4 Ni S2 -","- C7 H6 N4 Ni S2 -","- C28 H24 N16 Ni4 S8 -","4","1","","Wöhlert, Susanne; Fink, Lothar; Schmidt, Martin; Näther, Christian","Exploration and synthesis of condensed coordination networks with modified magnetic properties","CrystEngComm","2013","15","5","945","","10.1039/c2ce26617b","","","0.71073","MoKα","","0.0707","0.0572","","","0.1506","0.1588","","","","","","1.093","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209132","13.8838","0.0008","10.1039","0.0006","18.7348","0.0011","90","","107.125","0.001","90","","2511.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H46 Cl4 F8 N4 O4 -","- C58 H46 Cl4 F8 N4 O4 -","- C116 H92 Cl8 F16 N8 O8 -","2","0.5","","Akpinar, Handan; Mague, Joel T.; Lahti, Paul M.","A co-crystal of 2-(1′-pyrenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl with octafluoronaphthalene","CrystEngComm","2013","15","5","831","","10.1039/c2ce26621k","","","0.71073","MoKα","","0.0618","0.0442","","","0.1029","0.1161","","","","","","1.048","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209133","18.407","0.004","15.378","0.003","13.471","0.003","90","","128.44","0.03","90","","2986.7","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Ag5 I7 N2 -","- C14 H18 Ag5 I7 N2 -","- C56 H72 Ag20 I28 N8 -","4","0.5","","Li, Hao-Hong; Xing, Yuan-Yuan; Lian, Zhao-Xun; Gong, An-Wen; Wu, Hong-Yan; Li, Yi; Chen, Zhi-Rong","Rigidity/flexibility competition in organic/iodoargentate hybrids: a combined experimental and theoretical study","CrystEngComm","2013","15","9","1721","","10.1039/c2ce26640g","","","0.71069","MoKα","","0.054","0.039","","","0.1196","0.1295","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209134","12.073","0.0017","12.073","0.0017","20.906","0.004","90","","90","","120","","2639","0.7","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C18 H26 Ag5 I7 N2 -","- C18 H26 Ag5 I7 N2 -","- C54 H78 Ag15 I21 N6 -","3","1","","Li, Hao-Hong; Xing, Yuan-Yuan; Lian, Zhao-Xun; Gong, An-Wen; Wu, Hong-Yan; Li, Yi; Chen, Zhi-Rong","Rigidity/flexibility competition in organic/iodoargentate hybrids: a combined experimental and theoretical study","CrystEngComm","2013","15","9","1721","","10.1039/c2ce26640g","","","0.71069","MoKα","","0.1064","0.0688","","","0.1801","0.2029","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209135","25.54","0.005","5.14","0.001","22.306","0.005","90","","117.73","0.03","90","","2591.9","1.2","173","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 Cu N2 O12 S2 -","- C29 H20 Cu N2 O12 S2 -","- C116 H80 Cu4 N8 O48 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; Rodríguez-Hermida, Sabina; Vázquez-López, Ezequiel M.","Control over the preparation of two pH-dependent Cu(ii) supramolecular isomers based on 1,3,5-benzenetricarboxylic acid and the bis(4-pyridylthio)methane ligand","CrystEngComm","2013","15","8","1563","","10.1039/c2ce26652k","","","0.789","synchrotron","","0.0462","0.0454","","","0.125","0.1281","","","","","","1.088","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209136","27.191","0.002","18.5355","0.0014","16.3259","0.0012","90","","126.031","0.001","90","","6654.2","0.9","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 Cu N4 O7 S4 -","- C31 H26 Cu N4 O7 S4 -","- C248 H208 Cu8 N32 O56 S32 -","8","1","","Lago, Ana Belén; Carballo, Rosa; Rodríguez-Hermida, Sabina; Vázquez-López, Ezequiel M.","Control over the preparation of two pH-dependent Cu(ii) supramolecular isomers based on 1,3,5-benzenetricarboxylic acid and the bis(4-pyridylthio)methane ligand","CrystEngComm","2013","15","8","1563","","10.1039/c2ce26652k","","","0.71073","MoKα","","0.0517","0.0324","","","0.0747","0.087","","","","","","1.071","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209137","7.6554","0.0004","8.3794","0.0004","9.4395","0.0004","78.649","0.001","69.631","0.001","73.884","0.001","541.97","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H8 Br2 Hg N2 -","- C9 H8 Br2 Hg N2 -","- C18 H16 Br4 Hg2 N4 -","2","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Mohammadi Abadeh, M.; Chahkandi, M.; Frontera, A.; Hassanpoor, A.","Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies","CrystEngComm","2013","15","7","1404","","10.1039/c2ce26658j","","","0.71073","MoKα","","0.0258","0.0238","","","0.0586","0.0596","","","","","","1.033","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209138","7.6657","0.0006","14.5794","0.0012","17.376","0.0014","90","","95.315","0.001","90","","1933.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Hg2.5 I5 N2 -","- C9 H8 Hg2.5 I5 N2 -","- C36 H32 Hg10 I20 N8 -","4","1","","Mirzaei, M.; Eshtiagh-Hosseini, H.; Mohammadi Abadeh, M.; Chahkandi, M.; Frontera, A.; Hassanpoor, A.","Influence of accompanying anions on supramolecular assembly and coordination geometry in HgII complexes with 8-aminoquinoline: experimental and theoretical studies","CrystEngComm","2013","15","7","1404","","10.1039/c2ce26658j","","","0.71073","MoKα","","0.051","0.0442","","","0.1174","0.1228","","","","","","1.085","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209139","7.1277","0.0013","21.708","0.004","7.7585","0.0014","90","","102.497","0.003","90","","1172","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Ag2 N3 O6 -","- C8 H9 Ag2 N3 O6 -","- C32 H36 Ag8 N12 O24 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0286","0.0276","","","0.0723","0.0729","","","","","","1.082","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209140","13.715","0.0005","10.8413","0.0004","7.3319","0.0003","90","","102.586","0.004","90","","1063.97","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag2 N2 O6 -","- C8 H6 Ag2 N2 O6 -","- C32 H24 Ag8 N8 O24 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0326","0.0288","","","0.0696","0.0714","","","","","","1.119","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209141","13.132","0.003","6.9261","0.0014","24.512","0.005","90","","90","","90","","2229.5","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H9 Ag N2 O7 -","- C8 H9 Ag N2 O7 -","- C64 H72 Ag8 N16 O56 -","8","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0497","0.0413","","","0.1026","0.1092","","","","","","1.048","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209142","6.7018","0.0013","22.923","0.005","15.748","0.003","90","","96.49","0.03","90","","2403.8","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Ag4 N6 O13 -","- C16 H20 Ag4 N6 O13 -","- C64 H80 Ag16 N24 O52 -","4","1","","Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Structural diversity of Ag/3-nitrophthalate coordination polymers controlled by solvent and induction agent","CrystEngComm","2013","15","6","1185","","10.1039/c2ce26659h","","","0.71073","MoKα","","0.0576","0.0421","","","0.0991","0.1141","","","","","","1.009","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209143","14.7762","0.0003","12.6035","0.0002","14.8514","0.0003","90","","93.044","0.001","90","","2761.9","0.09","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cu2 I2 N2 S2 -","- C22 H34 Cu2 I2 N2 S2 -","- C88 H136 Cu8 I8 N8 S8 -","4","1","","Cheon, Sanghun; Kim, Tae Ho; Jeon, Youngeun; Kim, Jineun; Park, Ki-Min","Novel heptanuclear copper(i) iodide cluster with a pinwheel shape","CrystEngComm","2013","15","3","451","","10.1039/c2ce26664d","","","0.71073","MoKα","","0.0349","0.0282","","","0.0636","0.067","","","","","","1.037","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209144","13.7721","0.0006","14.5307","0.0007","16.5618","0.0008","104.374","0.001","110.692","0.001","103.503","0.001","2808.5","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H61 Cu7 I7 N3 O S3 -","- C37 H61 Cu7 I7 N3 O S3 -","- C74 H122 Cu14 I14 N6 O2 S6 -","2","1","","Cheon, Sanghun; Kim, Tae Ho; Jeon, Youngeun; Kim, Jineun; Park, Ki-Min","Novel heptanuclear copper(i) iodide cluster with a pinwheel shape","CrystEngComm","2013","15","3","451","","10.1039/c2ce26664d","","","0.71073","MoKα","","0.0651","0.0329","","","0.0745","0.102","","","","","","1.065","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209145","17.182","0.003","17.97","0.004","22.695","0.004","90","","90","","90","","7007","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H46 Cl3 Dy N2 O8 -","- C26 H46 Cl3 Dy N2 O8 -","- C208 H368 Cl24 Dy8 N16 O64 -","8","1","","Zhu, Jing; Song, Hui-Feng; Yan, Peng-Fei; Hou, Guang-Feng; Li, Guang-Ming","Slow relaxation processes of salen type Dy2 complex and 1D ionic spiral Dyn coordination polymer","CrystEngComm","2013","15","9","1747","","10.1039/c2ce26680f","","","0.71073","MoKα","","0.0693","0.0342","","","0.0677","0.0783","","","","","","1.003","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209146","12.389","0.003","22.59","0.004","22.464","0.007","90","","119.74","0.02","90","","5459","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H64 Dy2 N6 O7 -","- C61 H64 Dy2 N6 O7 -","- C244 H256 Dy8 N24 O28 -","4","1","","Zhu, Jing; Song, Hui-Feng; Yan, Peng-Fei; Hou, Guang-Feng; Li, Guang-Ming","Slow relaxation processes of salen type Dy2 complex and 1D ionic spiral Dyn coordination polymer","CrystEngComm","2013","15","9","1747","","10.1039/c2ce26680f","","","0.71073","MoKα","","0.0503","0.0391","","","0.0785","0.0816","","","","","","1.127","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209147","13","0.006","16.363","0.007","3.7037","0.0016","90","","90","","90","","787.8","0.6","150","2","150","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C10 H12 Cd Cl2 N6 O5 -","- C10 H12 Cd Cl2 N6 O5 -","- C20 H24 Cd2 Cl4 N12 O10 -","2","0.5","","Seth, Saikat Kumar","Tuning the formation of MOFs by pH influence: X-ray structural variations and Hirshfeld surface analyses of 2-amino-5-nitropyridine with cadmium chloride","CrystEngComm","2013","15","9","1772","","10.1039/c2ce26682b","","","0.71073","MoKα","","0.032","0.0306","","","0.0727","0.0749","","","","","","1.193","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209148","29.012","0.004","10.4455","0.0012","7.1789","0.0008","90","","92.189","0.004","90","","2173.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H6 Cd Cl3 N3 O2 -","- C5 H6 Cd Cl3 N3 O2 -","- C40 H48 Cd8 Cl24 N24 O16 -","8","1","","Seth, Saikat Kumar","Tuning the formation of MOFs by pH influence: X-ray structural variations and Hirshfeld surface analyses of 2-amino-5-nitropyridine with cadmium chloride","CrystEngComm","2013","15","9","1772","","10.1039/c2ce26682b","","","0.71073","MoKα","","0.0226","0.0207","","","0.0532","0.0543","","","","","","1.054","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209149","14.591","0.017","8.75","0.007","30.538","0.007","90","","90","","90","","3899","6","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C14 H22 Cl2 N4 O2 Pd S -","- C14 H22 Cl2 N4 O2 Pd S -","- C112 H176 Cl16 N32 O16 Pd8 S8 -","8","2","","de León, Antonio; Guerrero, Miguel; García-Antón, Jordi; Ros, Josep; Font-Bardía, Mercè; Pons, Josefina","Study of new metallomacrocyclic Pd(ii) complexes based on hybrid pyrazole sulfoxide/sulfone ligands and their contribution to supramolecular networks","CrystEngComm","2013","15","9","1762","","10.1039/c2ce26687c","","","0.71073","MoKα","","0.0548","0.0285","","","0.062","0.0697","","","","","","1.051","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209150","8.186","0.005","9.317","0.004","13.956","0.006","72.55","0.03","83.78","0.04","72.72","0.04","969.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Cl4 N8 O6 Pd2 S2 -","- C28 H44 Cl4 N8 O6 Pd2 S2 -","- C28 H44 Cl4 N8 O6 Pd2 S2 -","1","0.5","","de León, Antonio; Guerrero, Miguel; García-Antón, Jordi; Ros, Josep; Font-Bardía, Mercè; Pons, Josefina","Study of new metallomacrocyclic Pd(ii) complexes based on hybrid pyrazole sulfoxide/sulfone ligands and their contribution to supramolecular networks","CrystEngComm","2013","15","9","1762","","10.1039/c2ce26687c","","","0.71073","MoKα","","0.0605","0.0537","","","0.1519","0.1571","","","","","","1.099","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209151","12.5309","0.0006","12.9417","0.0006","18.394","0.0009","94.407","0.001","93.591","0.001","95.061","0.001","2955.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H40 Cd2 N4 O12 S2 -","- C61 H40 Cd2 N4 O12 S2 -","- C122 H80 Cd4 N8 O24 S4 -","2","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction","CrystEngComm","2013","15","2","227","","10.1039/c2ce26696b","","","0.71073","MoKα","","0.0421","0.0356","","","0.1248","0.1365","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209152","18.4538","0.0013","25.3442","0.0017","37.783","0.003","90","","90","","90","","17671","2","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C97 H77 Cd2 N9 O16 S2 -","- C97 H77 Cd2 N9 O16 S2 -","- C776 H616 Cd16 N72 O128 S16 -","8","2","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction","CrystEngComm","2013","15","2","227","","10.1039/c2ce26696b","","","0.71073","MoKα","","0.0861","0.0634","","","0.1291","0.1347","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209153","15.923","0.004","18.233","0.004","19.264","0.007","98.129","0.005","106.949","0.005","115.195","0.004","4608","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H71 Cd2 N9 O13 S2 -","- C97 H71 Cd2 N9 O13 S2 -","- C194 H142 Cd4 N18 O26 S4 -","2","1","","Zhang, Ming-Dao; Di, Chang-Miao; Qin, Ling; Yang, Qing-Xiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral 3D/3D hetero-interpenetrating framework with six kinds of helices, 3D polyrotaxane and 2D network via one-pot reaction","CrystEngComm","2013","15","2","227","","10.1039/c2ce26696b","","","0.71073","MoKα","","0.0703","0.052","","","0.1502","0.1583","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209154","11.0361","0.0011","7.7101","0.0007","17.9654","0.0018","90","","105.75","0.002","90","","1471.3","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","propylammonium deoxycholate acetone clathrate","propylammonium deoxycholate acetone clathrate","","- C30 H55 N O5 -","- C30 H55 N O5 -","- C60 H110 N2 O10 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0554","0.0408","","","0.095","0.1023","","","","","","1.022","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209155","7.7287","0.0006","11.521","0.0009","16.5589","0.0013","81.143","0.002","79.051","0.002","89.485","0.002","1430.03","0.19","173","2","173","2","","","","","","","","4","P 1","P 1","1","di-(propylammonium deoxycholate) hydrate","di-(propylammonium deoxycholate) hydrate","","- C54 H106.26 N2 O12.3 -","- C54 H106.256 N2 O12.3 -","- C54 H106.256 N2 O12.3 -","1","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0543","0.0442","","","0.107","0.1134","","","","","","1.032","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209156","14.043","0.003","7.8258","0.0016","14.055","0.003","90","","100.94","0.03","90","","1516.5","0.6","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","di-n-butylammonium deoxycholate","di-n-butylammonium deoxycholate","","- C32 H59 N O4 -","- C32 H59 N O4 -","- C64 H118 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0633","0.0413","","","0.0941","0.1028","","","","","","1.03","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209157","23.511","0.004","7.6318","0.0012","18.196","0.003","90","","123.03","0.02","90","","2737.3","1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","(R)-2-butylammonium deoxycholate","(R)-2-butylammonium deoxycholate","","- C28 H51 N O4 -","- C28 H51 N O4 -","- C112 H204 N4 O16 -","4","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0663","0.0462","","","0.1115","0.1222","","","","","","1.05","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209158","10.1547","0.0011","7.5678","0.0008","17.645","0.002","90","","90.915","0.003","90","","1355.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-2-butylammonium deoxycholate","(S)-2-butylammonium deoxycholate","","- C28 H51 N O4 -","- C28 H51 N O4 -","- C56 H102 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0492","0.0403","","","0.0986","0.1046","","","","","","1.024","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209159","11.501","0.002","7.7042","0.0015","17.175","0.003","90","","106.19","0.03","90","","1461.5","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(R)-3-methyl-2-butylammonium deoxycholate","(R)-3-methyl-2-butylammonium deoxycholate","","- C29 H53 N O4 -","- C29 H53 N O4 -","- C58 H106 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0869","0.0494","","","0.1192","0.138","","","","","","1.006","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209160","11.026","0.002","7.5245","0.0015","17.6","0.004","90","","105.26","0.03","90","","1408.7","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-3-methyl-2-butylammonium deoxycholate","(S)-3-methyl-2-butylammonium deoxycholate","","- C29 H53 N O4 -","- C29 H53 N O4 -","- C58 H106 N2 O8 -","2","1","","Jacobs, Ayesha; Báthori, Nikoletta B.; Nassimbeni, Luigi R.; Sebogisi, Baganetsi K.","Salts of (+)-deoxycholic acid with amines: structure, thermal stability, kinetics of salt formation, decomposition and chiral resolution","CrystEngComm","2013","15","5","931","","10.1039/c2ce26706c","","","0.71073","MoKα","","0.0938","0.0425","","","0.0869","0.0989","","","","","","0.964","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209161","18.9143","0.0007","21.0884","0.0009","5.2773","0.0002","90","","90","","90","","2104.97","0.14","100","2","100","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C15 H24 O9 S3 -","- C15 H24 O9 S3 -","- C60 H96 O36 S12 -","4","0.5","","Davey, Roger J.; Brychczynska, Monika; Sadiq, Ghazala; Dent, Geoffrey; Pritchard, Robin G.","Crystallising trimesic acid from DMSO solutions ‒ can crystallography teach us anything about the process of crystal nucleation?","CrystEngComm","2013","15","5","856","","10.1039/c2ce26712h","","x-ray","0.71073","MoKα","","0.1439","0.088","","","0.176","0.2067","","","","","","1.021","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209162","16.95","0.003","13.32","0.003","13.85","0.003","90","","90","","90","","3127","1.1","128","2","128","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C24 H20 N10 O4 S2 Zn -","- C24 H20 N10 O4 S2 Zn -","- C96 H80 N40 O16 S8 Zn4 -","4","0.5","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0631","0.0598","","","0.2037","0.2162","","","","","","1.147","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209163","17.125","0.003","13.543","0.003","13.762","0.003","90","","90","","90","","3191.7","1.1","128","2","128","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C26 H20 F6 N8 S2 Zn -","- C26 H20 F6 N8 S2 Zn -","- C104 H80 F24 N32 S8 Zn4 -","4","0.5","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0869","0.0709","","","0.2327","0.2734","","","","","","1.339","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209164","9.928","0.002","11.123","0.002","12.86","0.003","74.09","0.03","89.89","0.03","65.9","0.03","1236.8","0.6","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 F N4 S -","- C12 H11 F N4 S -","- C48 H44 F4 N16 S4 -","4","2","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0459","0.0426","","","0.0917","0.0937","","","","","","1.139","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209165","8.7107","0.0008","16.0126","0.0015","20.772","0.002","90","","90","","90","","2897.3","0.5","108","2","108","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N4 S -","- C14 H16 N4 S -","- C112 H128 N32 S8 -","8","1","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0433","0.0373","","","0.0948","0.0992","","","","","","1.028","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209166","8.628","0.0017","14.716","0.003","9.834","0.002","90","","111.82","0.03","90","","1159.2","0.5","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N5 S -","- C11 H11 N5 S -","- C44 H44 N20 S4 -","4","2","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.024","0.0238","","","0.0595","0.0596","","","","","","1.07","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209167","7.0476","0.0014","9.2828","0.0019","10.069","0.002","90","","105.45","0.03","90","","634.9","0.2","106","2","106","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C12 H11 N5 O2 S -","- C12 H11 N5 O2 S -","- C24 H22 N10 O4 S2 -","2","1","","Pandurangan, Komala; Kitchen, Jonathan A.; McCabe, Thomas; Gunnlaugsson, Thorfinnur","Hydrogen bonding interactions and supramolecular networks of pyridine-aryl based thiosemicarbazides and their Zn(ii) complexes","CrystEngComm","2013","15","7","1421","","10.1039/c2ce26718g","","","0.71073","MoKα","","0.0193","0.0193","","","0.0516","0.0516","","","","","","1.052","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209168","12.38","0.003","16.488","0.003","21.246","0.004","90","","90","","90","","4336.8","1.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cd4 N16 O12 -","- C32 H24 Cd4 N16 O12 -","- C128 H96 Cd16 N64 O48 -","4","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0849","0.0682","","","0.1939","0.2049","","","","","","1.077","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209169","10.984","0.01","17.667","0.016","26.08","0.02","90","","90","","90","","5061","8","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 Cd N8 O2 -","- C28 H20 Cd N8 O2 -","- C224 H160 Cd8 N64 O16 -","8","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0466","0.0307","","","0.0655","0.0732","","","","","","1.031","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209170","25.919","0.004","9.9766","0.0016","17.701","0.003","90","","128.489","0.002","90","","3582.7","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Cd N6 O2 -","- C20 H12 Cd N6 O2 -","- C160 H96 Cd8 N48 O16 -","8","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0402","0.0289","","","0.0635","0.0685","","","","","","1.067","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209171","13.6219","0.0013","16.5119","0.0016","13.4293","0.0013","90","","93.153","0.001","90","","3016","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Cd3 N10 O9 -","- C28 H18 Cd3 N10 O9 -","- C112 H72 Cd12 N40 O36 -","4","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0303","0.0272","","","0.0602","0.0612","","","","","","1.194","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209172","18.22","0.003","13.269","0.002","6.8783","0.0011","90","","90","","90","","1662.9","0.5","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H10 Cd N8 O4 -","- C16 H10 Cd N8 O4 -","- C64 H40 Cd4 N32 O16 -","4","1","","Liang, Li; Yang, Chengfeng; Ma, Yingzhao; Deng, Hong","In situ hydrothermal syntheses of five new cadmium(ii) coordination polymers based on 3-(1H-tetrazol-5-yl)benzoate ligand","CrystEngComm","2013","15","2","365","","10.1039/c2ce26720a","","","0.71073","MoKα","","0.0347","0.0278","","","0.057","0.0603","","","","","","1.02","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209173","10.735","0.002","12.852","0.003","14.491","0.003","84.6","0.03","74.08","0.03","65.93","0.03","1755.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Mn3 N10 O24 -","- C72 H68 Mn3 N10 O24 -","- C72 H68 Mn3 N10 O24 -","1","0.5","","Chen, Yong-Qiang; Liu, Sui-Jun; Li, Yun-Wu; Li, Guo-Rong; He, Kun-Huan; Chang, Ze; Bu, Xian-He","Mn(ii) metal‒organic frameworks based on Mn3 clusters: from 2D layer to 3D framework by the “pillaring” approach","CrystEngComm","2013","15","8","1613","","10.1039/c2ce26734a","","","0.71073","MoKα","","0.1321","0.0741","","","0.1354","0.1529","","","","","","1.041","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209174","12.271","0.003","13.775","0.003","14.061","0.003","89.21","0.02","65.01","0.03","71.28","0.03","2019.7","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H70 Mn3 N16 O20 -","- C90 H70 Mn3 N16 O20 -","- C90 H70 Mn3 N16 O20 -","1","0.5","","Chen, Yong-Qiang; Liu, Sui-Jun; Li, Yun-Wu; Li, Guo-Rong; He, Kun-Huan; Chang, Ze; Bu, Xian-He","Mn(ii) metal‒organic frameworks based on Mn3 clusters: from 2D layer to 3D framework by the “pillaring” approach","CrystEngComm","2013","15","8","1613","","10.1039/c2ce26734a","","","0.71073","MoKα","","0.1581","0.0847","","","0.1569","0.1797","","","","","","1.041","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209175","8.3499","0.0002","12.4558","0.0003","13.7987","0.0004","90","","90","","90","","1435.13","0.06","293","2","293","2","","","","","","","","4","P b a m","-P 2 2ab","55","","","","- C15 H12 Co O6.5 -","- C15 H11 Co O6.5 -","- C60 H44 Co4 O26 -","4","0.5","","Sun, Hao-Ling; Jiang, Rui; Li, Zongsheng; Dong, Yong Qiang; Du, Miao","Novel (4,8)-connected scu coordination framework constructed by tetrakis(4-benzoic acid)ethylene","CrystEngComm","2013","15","9","1669","","10.1039/c2ce26761f","","","0.71073","MoKα","","0.0433","0.0364","","","0.1022","0.1061","","","","","","1.109","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209176","35.272","0.01","35.272","0.01","5.282","0.001","90","","90","","120","","5691","3","290","2","290","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C45 H38 N6 O4 -","- C45 H37.98 N6 O4 -","- C270 H227.88 N36 O24 -","6","0.333333","","Prohens, Rafel; Font-Bardia, Mercè; Barbas, Rafael","Water wires in the nanoporous form II of carbamazepine: a single-crystal X-ray diffraction analysis","CrystEngComm","2013","15","5","845","","10.1039/c2ce26787j","","","0.71073","MoKα","","0.1145","0.0762","","","0.1766","0.1954","","","","","","1.21","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209177","9.8116","0.0009","9.9911","0.0009","15.5601","0.0014","81.117","0.001","84.035","0.001","70.191","0.001","1415.7","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H54 Cu2 F12 N12 O18 P2 -","- C42 H54 Cu2 F12 N12 O18 P2 -","- C42 H54 Cu2 F12 N12 O18 P2 -","1","0.5","","Mitra, Monojit; Manna, Prankrishna; Seth, Saikat Kumar; Das, Amrita; Meredith, Joanne; Helliwell, Madeleine; Bauzá, Antonio; Choudhury, Somnath Ray; Frontera, Antonio; Mukhopadhyay, Subrata","Salt-bridge‒π (sb‒π) interactions at work: associative interactions of sb‒π, π‒π and anion‒π in Cu(ii)-malonate‒2-aminopyridine‒hexafluoridophosphate ternary system","CrystEngComm","2013","15","4","686","","10.1039/c2ce26790j","","","0.71073","MoKα","","0.0428","0.0311","","","0.0858","0.0974","","","","","","1.097","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209178","12.6675","0.0004","12.9716","0.0004","13.7656","0.0005","107.358","0.001","114.619","0.001","103.137","0.001","1794.36","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemiadipate n-butyl acetate solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - adipate - n-butyl acetate solvate (2:1:1)","","- C30 H36 Cl4 N10 O6 -","- C30 H36 Cl4 N10 O6 -","- C60 H72 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.71073","MoKα","","0.1445","0.0821","","","0.2564","0.2942","","","","","","1.043","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209179","12.6839","0.0002","13.1519","0.0002","13.6466","0.0002","107.084","0.001","114.367","0.001","101.984","0.001","1835.4","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemiadipate tetrahydrofuran solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - adipate - tetrahydofuran solvate (2:1:2)","","- C32 H40 Cl4 N10 O6 -","- C32 H40 Cl4 N10 O6 -","- C64 H80 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.7107","MoKα","","0.0989","0.0719","","","0.1678","0.1805","","","","","","1.097","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209180","12.5864","0.0003","13.5421","0.0003","13.9251","0.0004","104.191","0.002","114.809","0.002","105.476","0.002","1895.43","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemipimelate n-butyl acetate solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - pimelate - n-butyl acetate solvate (2:1:1)","","- C31 H38 Cl4 N10 O6 -","- C31 H38 Cl4 N10 O6 -","- C62 H76 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.71073","MoKα","","0.0817","0.069","","","0.1795","0.1901","","","","","","1.038","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209181","12.983","0.0003","13.6706","0.0003","13.8425","0.0004","102.681","0.001","115.756","0.001","106.841","0.002","1940.4","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Lamotrigine hemipimelate tetrahydrofuran solvate","3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - pimelate - tetrahydrofuran solvate (2:1:2)","","- C33 H42 Cl4 N10 O6 -","- C33 H42 Cl4 N10 O6 -","- C66 H84 Cl8 N20 O12 -","2","1","","Galcera, Judit; Friščić, Tomislav; Molins, Elies; Jones, William","Isostructurality in three-component crystals achieved by the combination of persistent hydrogen bonding motifs and solvent inclusion","CrystEngComm","2013","15","7","1332","","10.1039/c2ce26791h","","","0.71073","MoKα","","0.0951","0.0778","","","0.2039","0.2172","","","","","","1.052","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209182","10.5156","0.0003","9.1793","0.0003","12.2202","0.0004","90","","98.381","0.001","90","","1166.97","0.06","89","2","89","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H5 F4 N3 -","- C14 H5 F4 N3 -","- C56 H20 F16 N12 -","4","1","","Lane, Joseph R.; Saunders, Graham C.; Webb, Samantha J.","Engineering of a polar crystal structure exclusively by π‒π stacking between aryl and polyfluoroaryl groups","CrystEngComm","2013","15","7","1293","","10.1039/c2ce26796a","","","0.71073","MoKα","","0.0251","0.025","","","0.0708","0.0709","","","","","","1.076","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209183","18.167","0.005","16.43","0.004","19.731","0.005","90","","93.477","0.003","90","","5879","3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C-hexyltetracyanoresorcin(4)arene","","","- C59 H82 N4 O12 -","- C58.992 H82 N4 O12 -","- C235.968 H328 N16 O48 -","4","1","","Mossine, Andrew V.; Thavornyutikarn, Praput; Atwood, Jerry L.","Conservation of a unique noncovalent motif in a tetracyanoresorcin[4]arene silver complex","CrystEngComm","2013","15","9","1673","","10.1039/c2ce26802g","","","0.71073","MoKα","","0.0754","0.0572","","","0.1582","0.1734","","","","","","1.037","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209184","15.6936","0.0018","15.9984","0.0019","26.489","0.003","90","","90","","90","","6650.7","1.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","C-hexyltetracyanoresorcin(4)arene silver complex","","","- C59.6 H83 Ag N4 O11.9 -","- C59.6 H68 Ag N4 O11.9 -","- C238.4 H272 Ag4 N16 O47.6 -","4","1","","Mossine, Andrew V.; Thavornyutikarn, Praput; Atwood, Jerry L.","Conservation of a unique noncovalent motif in a tetracyanoresorcin[4]arene silver complex","CrystEngComm","2013","15","9","1673","","10.1039/c2ce26802g","","x-ray","0.71073","MoKα","","0.1634","0.1058","","","0.2857","0.3363","","","","","","1.119","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209185","13.1028","0.0011","13.5056","0.0011","23.797","0.002","92.405","0.002","91.395","0.001","105.902","0.001","4043.6","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu3 N32 O43 P S8 W12 -","- C26 H46 Cu3 N32 O43 P S8 W12 -","- C52 H92 Cu6 N64 O86 P2 S16 W24 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0305","0.0264","","","0.0662","0.0681","","","","","","1.045","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209186","13.095","0.003","13.375","0.003","23.823","0.005","92.183","0.004","90.456","0.003","105.986","0.003","4007.5","1.5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu4 N32 O43 S8 Si W12 -","- C26 H42 Cu4 N32 O43 S8 Si W12 -","- C52 H84 Cu8 N64 O86 S16 Si2 W24 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0418","0.0314","","","0.0934","0.1001","","","","","","0.952","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209187","13.063","0.003","13.512","0.004","23.709","0.006","92.366","0.006","91.564","0.005","105.99","0.005","4016.2","1.8","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu3 Mo12 N32 O43 P S8 -","- C26 H46 Cu3 Mo12 N32 O43 P S8 -","- C52 H92 Cu6 Mo24 N64 O86 P2 S16 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0313","0.0239","","","0.0595","0.0634","","","","","","1.052","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209188","13.0057","0.0007","13.3497","0.0008","23.6446","0.0013","91.917","0.001","91.017","0.001","106.702","0.001","3928.2","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H46 Cu4 Mo12 N32 O43 S8 Si -","- C26 H42 Cu4 Mo12 N32 O43 S8 Si -","- C52 H84 Cu8 Mo24 N64 O86 S16 Si2 -","2","1","","Zhang, Weisong; Gong, Jingjing; Kang, Zhenhui; Hu, Hailiang; Guo, Zhenyu; Li, Youyong; Liu, Yang; Zhang, Hengchao; Zhang, Lili; Yang, Yanan; Lee, Shuit-Tong","Molecule design and isomorphism synthesis towards artificial enzymes","CrystEngComm","2013","15","4","662","","10.1039/c2ce26820e","","","0.71073","MoKα","","0.0599","0.0569","","","0.1252","0.1267","","","","","","1.06","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209189","8.5321","0.0004","20.7094","0.001","25.769","0.001","90","","90","","90","","4553.2","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Ag F6 N4 P -","- C8 H12 Ag F6 N4 P -","- C96 H144 Ag12 F72 N48 P12 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.1507","0.0378","","","0.0565","0.0706","","","","","","0.762","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209190","24.244","0.001","8.5678","0.0005","20.654","0.001","90","","90","","90","","4290.2","0.4","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Ag Cl N4 O4 -","- C8 H12 Ag Cl N4 O4 -","- C96 H144 Ag12 Cl12 N48 O48 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.0432","0.0325","","","0.0656","0.0685","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209191","8.5713","0.0001","21.9018","0.0003","27.8052","0.0005","90","","90","","90","","5219.78","0.13","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 Cu F6 N5 P -","- C10 H15 Cu F6 N5 P -","- C120 H180 Cu12 F72 N60 P12 -","12","3","","Bąk, Joanna M.; Effendy,; Grabowsky, Simon; Lindoy, Leonard F.; Price, Jason R.; Skelton, Brian W.; White, Allan H.","True and quasi-isomorphism in tetrakis(acetonitrile)coinage metal(i) salts","CrystEngComm","2013","15","6","1125","","10.1039/c2ce26824h","","","0.71073","MoKα","","0.053","0.0366","","","0.0771","0.0841","","","","","","1.027","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209192","41.11","0.005","41.11","0.005","31.944","0.008","90","","90","","120","","46754","14","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C300 H327 Cu12 N9 O96 -","- C264 H216 Cu12 O84 -","- C792 H648 Cu36 O252 -","3","0.166667","","He, Yuan-Chun; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","An ideal metal‒organic rhombic dodecahedron for highly efficient adsorption of dyes in an aqueous solution","CrystEngComm","2013","15","5","848","","10.1039/c2ce26836a","","","0.71073","MoKα","","0.3052","0.0692","","","0.0882","0.0944","","","","","","1.023","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209193","13.596","0.002","14.05","0.002","19.495","0.003","90","","125.036","0.008","90","","3049.2","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N3 O5 Zn -","- C15 H11 N3 O5 Zn -","- C120 H88 N24 O40 Zn8 -","8","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.047","0.0372","","","0.09","0.0937","","","","","","1.075","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209194","18.365","0.003","10.5691","0.0018","17.065","0.003","90","","106.028","0.007","90","","3183.6","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 N3 O6.5 Zn -","- C15 H13 N3 O6.5 Zn -","- C120 H104 N24 O52 Zn8 -","8","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0334","0.0283","","","0.08","0.0825","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209195","7.8778","0.0015","23.005","0.004","8.2756","0.0015","90","","107.346","0.002","90","","1431.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O5 Zn -","- C15 H11 N3 O5 Zn -","- C60 H44 N12 O20 Zn4 -","4","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0668","0.0443","","","0.0887","0.0954","","","","","","1.062","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209196","9.664","0.002","9.582","0.002","16.414","0.004","90","","104.43","0.003","90","","1472","0.6","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C15 H13 N3 O5 Zn -","- C15 H13 N3 O5 Zn -","- C60 H52 N12 O20 Zn4 -","4","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.11","0.1057","","","0.2217","0.2234","","","","","","1.309","","","","has coordinates,has disorder","180422","2020-10-21","18:00:00",""
"7209197","11.4026","0.0015","7.6683","0.001","17.686","0.002","90","","96.38","0.002","90","","1536.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn3(maleate)2(OH)2(4-pina)2","","- C30 H24 N6 O12 Zn3 -","- C30 H24 N6 O12 Zn3 -","- C60 H48 N12 O24 Zn6 -","2","0.5","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0292","0.0242","","","0.0606","0.0632","","","","","","1.063","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209198","7.3106","0.0007","18.8655","0.0017","10.8996","0.001","90","","106.099","0.001","90","","1444.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N3 O5 Zn -","- C15 H13 N3 O5 Zn -","- C60 H52 N12 O20 Zn4 -","4","1","","Uebler, Jacob W.; Wilson, Julie A.; LaDuca, Robert L.","Donor disposition and aliphatic conformation effects on structure in luminescent zinc dicarboxylate coordination polymers with isomeric dipyridylamide coligands","CrystEngComm","2013","15","8","1586","","10.1039/c2ce26929e","","","0.71073","MoKα","","0.0303","0.0244","","","0.0591","0.0621","","","","","","1.034","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209199","14.0557","0.0003","11.4779","0.0003","19.3737","0.0013","90","","98.905","0.007","90","","3087.9","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Adamantyl mesityl BODIPY","4,4-Difluoro-3,5-di-(adamantyl)-8-mesityl-4-bora-3a,4a-diaza-s-indacene","","- C38 H45 B F2 N2 -","- C38 H45 B F2 N2 -","- C152 H180 B4 F8 N8 -","4","1","","Liao, Yuanyuan; Génot, Valérie; Méallet-Renault, Rachel; Vu, Thanh T.; Audibert, Jean-Frédéric; Lemaistre, Jean-Pierre; Clavier, Gilles; Retailleau, Pascal; Pansu, Robert B.","Spectroscopy of BODIPY in solid phase: crystal and nanoparticles.","Physical chemistry chemical physics : PCCP","2013","15","9","3186","3195","10.1039/c2cp43289g","","","1.54187","CuKα","","0.0616","0.0491","","","0.1383","0.1488","","","","","","1.152","","","","has coordinates","180422","2020-10-21","18:00:00",""
"7209200","5.955","0.003","7.46","0.003","19.878","0.008","90","","90","","90","","883.1","0.7","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Ueno, Atsushi; Kayaki, Yoshihito; Ikariya, Takao","Cycloaddition of tertiary aziridines and carbon dioxide using a recyclable organocatalyst, 1,3-di-tert-butylimidazolium-2-carboxylate: straightforward access to 3-substituted 2-oxazolidones","Green Chemistry","2013","15","2","425","","10.1039/c2gc36414j","","","0.7107","MoKα","","","0.0299","","","","0.0924","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209201","14.385","0.004","11.708","0.004","10.799","0.003","90","","98.286","0.006","90","","1799.8","0.9","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1,4-di-O-benzoyl-myo-inositol","","","- C20 H20 O8 -","- C20 H20 O8 -","- C80 H80 O32 -","4","1","","Sureshan, Kana M.; Gonnade, Rajesh G.","Weak becomes strong: remarkable strength of C‒H⋯π hydrogen bond in the presence of O‒H⋯O hydrogen bonds in the crystal stabilization","CrystEngComm","2013","15","9","1676","","10.1039/c3ce26894b","","","0.71073","MoKα","","0.056","0.0376","","","0.0883","0.0967","","","","","","1.031","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209202","4.918","0.0006","20.285","0.008","10.1651","0.0013","85.65","0.02","113.352","0.009","88.33","0.02","926.4","0.4","293","2","293","2","","","100000","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","glutaric acid‒glycine (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","","Zakharov, Boris A.; Losev, Evgeniy A.; Boldyreva, Elena V.","Polymorphism of “glycine‒glutaric acid” co-crystals: the same phase at low temperatures and high pressures","CrystEngComm","2013","15","9","1693","","10.1039/c3ce27013k","","","0.71073","MoKα","","0.1904","0.1095","","","0.272","0.3429","","","","","","1.095","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209203","4.8468","0.0006","20.177","0.004","10.0209","0.0012","85.32","0.02","113.602","0.009","88.18","0.019","892.8","0.2","293","2","293","2","","","700000","","","","","4","P -1","-P 1","2","glutaric acid‒glycine (1/1)","glutaric acid‒glycine (1/1)","","- C7 H13 N O6 -","- C7 H13 N O6 -","- C28 H52 N4 O24 -","4","2","","Zakharov, Boris A.; Losev, Evgeniy A.; Boldyreva, Elena V.","Polymorphism of “glycine‒glutaric acid” co-crystals: the same phase at low temperatures and high pressures","CrystEngComm","2013","15","9","1693","","10.1039/c3ce27013k","","","0.71073","MoKα","","0.1676","0.1011","","","0.2755","0.3404","","","","","","1.091","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209204","19.704","0.0009","38.121","0.0018","23.7705","0.001","90","","110.449","0.002","90","","16729.7","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","CB6formI","","","- C90 H92 Cl3 N60 O58 -","- C90 H92 Cl3 N60 O58 -","- C360 H368 Cl12 N240 O232 -","4","1","","Tian, Jian; Liu, Jian; Liu, Jun; Thallapally, Praveen K.","Identification of solid-state forms of cucurbit[6]uril for carbon dioxide capture","CrystEngComm","2013","15","8","1528","","10.1039/c3ce27017c","","","0.71073","MoKα","","0.1192","0.104","","","0.2971","0.3076","","","","","","1.174","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209205","22.1502","0.0004","22.1502","0.0004","47.2588","0.0013","90","","90","","120","","20080.2","0.8","100","2","100","2","","","","","","","","5","P 32","P 32","145","CB6","","","- C180 H262 Cl3 N120 O101 -","- C180 H180 Cl3 N120 O101 -","- C540 H540 Cl9 N360 O303 -","3","1","","Tian, Jian; Liu, Jian; Liu, Jun; Thallapally, Praveen K.","Identification of solid-state forms of cucurbit[6]uril for carbon dioxide capture","CrystEngComm","2013","15","8","1528","","10.1039/c3ce27017c","","","0.71073","MoKα","","0.1873","0.1681","","","0.4077","0.4182","","","","","","2.682","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209206","18.8281","0.000026","7.19429","0.000018","5.73035","0.000014","90","","95.9613","0.0001","90","","772.006","0.003","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","(1R,2S)-(-)-Ephedrine D-(-)-tartaric acid","(1R,2S)-(-)-Ephedrine D-(-)-tartaric acid","","- C14 H21 N O7 -","- C14 H21 N O7 -","- C28 H42 N2 O14 -","2","1","","Wu, Han; Habgood, Matthew; Parker, Julia E.; Reeves-McLaren, Nik; Cockcroft, Jeremy K.; Vickers, Martin; West, Anthony R.; Jones, Alan G.","Crystal structure determination by combined synchrotron powder X-ray diffraction and crystal structure prediction: 1 : 1 l-ephedrine d-tartrate","CrystEngComm","2013","15","10","1853","","10.1039/c2ce26097b","powder diffraction","","0.826146","synchrotron","","","","","","","","","","1.874","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209207","11.902","0.005","8.377","0.004","19.291","0.009","90","","98.545","0.009","90","","1902","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cu3 N12 O10 -","- C38 H34 Cu3 N12 O10 -","- C76 H68 Cu6 N24 O20 -","2","0.5","","Zhu, Qilong; Tian, Chongbin; Shen, Chaojun; Sheng, Tianlu; Hu, Shengmin; Wu, Xintao","A three-dimensional coordination polymer based on linear trinuclear copper(ii) clusters featuring a ferromagnetic exchange interaction","CrystEngComm","2013","15","11","2120","","10.1039/c2ce26461g","","","0.71073","MoKα","","0.0797","0.0596","","","0.1637","0.1812","","","","","","1.071","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209208","11.4037","0.0003","8.1964","0.0002","25.3329","0.0007","90","","92.066","0.002","90","","2366.31","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5- dinitrobenzoate","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5-dinitrobenzoate","","- C19 H27 K N2 O12 -","- C19 H27 K N2 O12 -","- C76 H108 K4 N8 O48 -","4","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0666","0.0391","","","0.0913","0.1052","","","","","","1.052","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209209","9.2865","0.0003","13.1382","0.0004","14.0544","0.0004","71.495","0.001","79.23","0.001","86.232","0.001","1597.41","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5- dinitrobenzoate 3,5-dinitrobenzoic acid","(1,4,7,10,13,16-hexaoxacyclooctadecane)potassium 3,5-dinitrobenzoate 3,5-dinitrobenzoic acid","","- C26 H31 K N4 O18 -","- C26 H31 K N4 O18 -","- C52 H62 K2 N8 O36 -","2","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0425","0.0349","","","0.0975","0.1079","","","","","","0.829","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209210","19.7525","0.0003","10.7903","0.0002","8.2793","0.0001","90","","99.556","0.001","90","","1740.13","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Potassium 3,5-dinitrobenzoate 4-(N,N'-dimethylamino)benzoic acid","","- C16 H14 K N3 O8 -","- C16 H14 K N3 O8 -","- C64 H56 K4 N12 O32 -","4","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0625","0.04","","","0.1072","0.1195","","","","","","1.035","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209211","6.784","0.0007","7.6611","0.0008","18.6422","0.0018","81.212","0.005","87.658","0.004","86.753","0.005","955.47","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","Sodium 3,5-dinitrobenzoate 4-(N, N'-dimethylamino)benzoic acid dihydrate","","- C16 H18 N3 Na O10 -","- C16 H18 N3 Na O10 -","- C32 H36 N6 Na2 O20 -","2","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.0772","0.0638","","","0.1938","0.2005","","","","","","1.295","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209212","6.1722","0.0004","8.4443","0.0006","18.7848","0.0012","83.049","0.004","82.207","0.004","86.054","0.004","961.52","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Ammonium 3,5-dinitrobenzoate 4-(N,N'-dimethylamino)benzoate","Ammonium 3,5-dinitrobenzoate 4-(N,N'-dimethylamino)benzoate","","- C16 H21 N5 O8 -","- C16 H21 N5 O8 -","- C32 H42 N10 O16 -","2","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.1685","0.0599","","","0.1431","0.1721","","","","","","0.863","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209213","11.4622","0.0003","8.2534","0.0002","25.9532","0.0006","90","","90.485","0.002","90","","2455.14","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(1,4,7,10,13,16-hexaoxacyclooctadecane)ammonium 3,5- dinitrobenzoate","(1,4,7,10,13,16-hexaoxacyclooctadecane)ammonium 3,5-dinitrobenzoate","","- C19 H31 N3 O12 -","- C19 H31 N3 O12 -","- C76 H124 N12 O48 -","4","1","","Bukenya, Shamim; Munshi, Tasnim; Scowen, Ian J.; Skyner, Rachael; Whitaker, Darren A.; Seaton, Colin C.","Building multi-component crystals from cations and co-crystals: the use of chaperones","CrystEngComm","2013","15","12","2241","","10.1039/c2ce26498f","","","0.71073","MoKα","","0.1171","0.0524","","","0.1509","0.1799","","","","","","1.033","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209214","25.1719","0.0005","25.1719","0.0005","10.8188","0.0003","90","","90","","120","","5936.7","0.2","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C24 H32 Cl2 Cu N4 O4 -","- C24 H32 Cl2 Cu N4 O4 -","- C216 H288 Cl18 Cu9 N36 O36 -","9","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Construction of kagome-type networks via tridentate ligand: structural properties as alcohol reservoir","CrystEngComm","2013","15","10","1832","","10.1039/c2ce26531a","","","0.71073","MoKα","","0.0697","0.0406","","","0.0647","0.0686","","","","","","1.089","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209215","25.4049","0.0003","25.4049","0.0003","10.6802","0.0002","90","","90","","120","","5969.6","0.15","173","2","173","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C23 H30 Br2 Cu N4 O4 -","- C23 H30 Br2 Cu N4 O4 -","- C207 H270 Br18 Cu9 N36 O36 -","9","1","","Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Construction of kagome-type networks via tridentate ligand: structural properties as alcohol reservoir","CrystEngComm","2013","15","10","1832","","10.1039/c2ce26531a","","","0.71073","MoKα","","0.0688","0.059","","","0.134","0.1371","","","","","","1.026","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209216","5.8194","0.0002","22.0856","0.0007","16.198","0.0006","90","","90.285","0.003","90","","2081.82","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzimidazole salt of pimelic acid","","","- C21 H24 N4 O4 -","- C21 H24 N4 O4 -","- C84 H96 N16 O16 -","4","1","","Pogorzelec-Glaser, Katarzyna; Rachocki, Adam; Ławniczak, Paweł; Pietraszko, Adam; Pawlaczyk, Czesław; Hilczer, Bożena; Pugaczowa-Michalska, Maria","Structure, hydrogen bond network and proton conductivity of new benzimidazole compounds with dicarboxylic acids","CrystEngComm","2013","15","10","1950","","10.1039/c2ce26571k","","","0.71073","MoKα","","0.1065","0.047","","","0.078","0.085","","","","","","1.116","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209217","8.4176","0.0012","14.7394","0.0014","19.1141","0.0019","90","","100.12","0.012","90","","2334.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Benzimidazole salt of glutaric acid","","","- C12 H14 N2 O4 -","- C12 H14 N2 O4 -","- C96 H112 N16 O32 -","8","2","","Pogorzelec-Glaser, Katarzyna; Rachocki, Adam; Ławniczak, Paweł; Pietraszko, Adam; Pawlaczyk, Czesław; Hilczer, Bożena; Pugaczowa-Michalska, Maria","Structure, hydrogen bond network and proton conductivity of new benzimidazole compounds with dicarboxylic acids","CrystEngComm","2013","15","10","1950","","10.1039/c2ce26571k","","","0.71073","MoKα","","0.1191","0.0625","","","0.0929","0.1041","","","","","","1.134","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209218","10.2636","0.0004","19.9663","0.0007","12.0807","0.0005","90","","99.979","0.003","90","","2438.2","0.16","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 B2 Cu F8 N7 O4 -","- C17 H19 B2 Cu F8 N7 O4 -","- C68 H76 B8 Cu4 F32 N28 O16 -","4","1","","Ramírez de Arellano, Carmen; Escrivà, Emilio; Gómez-García, Carlos J.; Mínguez Espallargas, Guillermo; Ballesteros, Rafael; Abarca, Belén","Hydrogen bonding versus π-stacking in ferromagnetic interactions. Studies on a copper triazolopyridine complex","CrystEngComm","2013","15","10","1836","","10.1039/c2ce26654g","","","0.71073","MoKα","","0.0493","0.0419","","","0.1121","0.1179","","","","","","1.048","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209219","11.4102","0.0009","7.9586","0.0006","14.2631","0.0011","90","","95.548","0.001","90","","1289.15","0.17","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C16 H29 N6 Ni O13 P2 -","- C16 H15 N6 Ni O13 P2 -","- C32 H30 N12 Ni2 O26 P4 -","2","0.5","","Zhai, Fupeng; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Crystal transformation synthesis of a highly stable phosphonate MOF for selective adsorption of CO2","CrystEngComm","2013","15","11","2040","","10.1039/c2ce26701b","","","0.71073","MoKα","","0.0834","0.0792","","","0.2016","0.2042","","","","","","1.015","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209220","20.319","0.003","20.319","0.003","14.754","0.002","90","","90","","120","","5275.3","1.3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 N18 Ni3 O33 P6 -","- C48 H66 N18 Ni3 O33 P6 -","- C144 H198 N54 Ni9 O99 P18 -","3","0.166667","","Zhai, Fupeng; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","Crystal transformation synthesis of a highly stable phosphonate MOF for selective adsorption of CO2","CrystEngComm","2013","15","11","2040","","10.1039/c2ce26701b","","","0.71073","MoKα","","0.0556","0.0397","","","0.0968","0.1078","","","","","","1.072","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209221","7.5069","0.0005","12.8076","0.001","22.2479","0.0017","93.887","0.004","94.965","0.004","92.39","0.004","2123.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H48 Cu2 N2 O24 P6 -","- C30 H48 Cu2 N2 O24 P6 -","- C60 H96 Cu4 N4 O48 P12 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.1371","0.0745","","","0.174","0.2146","","","","","","0.996","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209222","8.0321","0.0015","10.14","0.0019","12.985","0.002","67.54","0.002","85.067","0.002","74.216","0.002","940.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24 Ni1.5 O12 P3 -","- C12 H24 Ni1.5 O12 P3 -","- C24 H48 Ni3 O24 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0469","0.0377","","","0.0922","0.0977","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209223","9.981","0.004","10.454","0.004","13.701","0.006","86.396","0.004","71.039","0.004","82.803","0.004","1341","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 N2 Ni O11 P3 -","- C24 H31 N2 Ni O11 P3 -","- C48 H62 N4 Ni2 O22 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0387","0.0313","","","0.0759","0.0796","","","","","","1.03","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209224","9.9667","0.0006","10.4207","0.0006","13.3783","0.0008","94.054","0.001","106.84","0.001","93.649","0.001","1321.4","0.14","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H31 N2 Ni O11 P3 -","- C22 H31 N2 Ni O11 P3 -","- C44 H62 N4 Ni2 O22 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0545","0.0427","","","0.0955","0.1023","","","","","","1.05","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209225","9.7878","0.0016","10.201","0.0016","14.443","0.003","76.79","0.002","81.902","0.002","66.993","0.001","1290.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 Cu N2 O9 P3 -","- C22 H27 Cu N2 O9 P3 -","- C44 H54 Cu2 N4 O18 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0616","0.0429","","","0.1051","0.1143","","","","","","1.023","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209226","10.1684","0.0007","15.3969","0.0011","16.7062","0.0012","90","","92.608","0.001","90","","2612.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Cu N2 O10 P3 -","- C24 H27 Cu N2 O10 P3 -","- C96 H108 Cu4 N8 O40 P12 -","4","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0368","0.0305","","","0.0789","0.083","","","","","","1.027","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209227","8.7633","0.0006","10.559","0.0007","14.8583","0.001","79.707","0.001","86.776","0.001","67.111","0.001","1246.09","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H31 Cu N2 O11 P3 -","- C22 H28 Cu N2 O10.134 P3 -","- C44 H56 Cu2 N4 O20.268 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0513","0.0411","","","0.1033","0.1092","","","","","","1.007","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209228","8.327","0.0004","9.9585","0.0005","13.2645","0.0007","68.034","0.001","82.339","0.001","72.169","0.001","970.88","0.09","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H24.2 Mn1.5 O12.1 P3 -","- C12 H24.2 Mn1.5 O12.1 P3 -","- C24 H48.4 Mn3 O24.2 P6 -","2","1","","Tang, Si-Fu; Pan, Xiao-Bo; Lv, Xiao-Xia; Yan, Shi-Hai; Xu, Xian-Rui; Li, Liang-Jun; Zhao, Xue-Bo","Fabrication of new metal phosphonates from tritopic trisphosphonic acid containing methyl groups and auxiliary ligands: syntheses, structures and gas adsorption properties","CrystEngComm","2013","15","10","1860","","10.1039/c2ce26828k","","","0.71073","MoKα","","0.0385","0.035","","","0.0892","0.0919","","","","","","1.052","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209229","8.8798","0.0006","9.2592","0.0006","15.0913","0.001","104.757","0.001","99.526","0.001","90.516","0.001","1181.63","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 N5 O7 Zn -","- C25 H19 N5 O7 Zn -","- C50 H38 N10 O14 Zn2 -","2","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0407","0.0333","","","0.0906","0.0937","","","","","","1.028","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209230","9.064","0.003","9.558","0.003","13.644","0.004","95.546","0.004","91.307","0.005","90.209","0.005","1176.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 Cd N5 O7 -","- C25 H19 Cd N5 O7 -","- C50 H38 Cd2 N10 O14 -","2","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0312","0.0271","","","0.0659","0.0678","","","","","","1.002","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209231","11.9526","0.0009","12.6037","0.0009","16.381","0.0012","90","","102.082","0.001","90","","2413.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N5 O6 Zn -","- C25 H17 N5 O6 Zn -","- C100 H68 N20 O24 Zn4 -","4","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0741","0.0462","","","0.1256","0.1424","","","","","","1.005","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209232","11.1167","0.0006","14.3657","0.0007","15.1482","0.0008","90","","93.261","0.001","90","","2415.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 Cd N5 O6 -","- C25 H17 Cd N5 O6 -","- C100 H68 Cd4 N20 O24 -","4","1","","Wang, Xiuli; Huang, Jingjing; Liu, Lianli; Liu, Guocheng; Lin, Hongyan; Zhang, Juwen; Chen, Naili; Qu, Yun","Assembly of Zn/Cd coordination polymers containing helixes or polycatenane structures tuned by the tri-pyridyl‒bis-amide ligands with different spacer: syntheses, structures, photoluminescent and photocatalytic properties","CrystEngComm","2013","15","10","1960","","10.1039/c2ce26892b","","","0.71073","MoKα","","0.0339","0.026","","","0.065","0.0691","","","","","","1.002","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209233","10.4005","0.0002","10.6486","0.0002","13.6321","0.0003","105.307","0.0007","93.835","0.0008","108.935","0.0012","1358.02","0.05","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C7.5 H13.5 Er O12 -","- C7.5 H1.5 Er O12 -","- C30 H6 Er4 O48 -","4","2","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","","0.71069","MoKα","","0.0577","0.0454","","","0.1184","0.1278","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209234","11.2874","0.0004","17.5352","0.0003","11.8917","0.0004","90","","106.723","0.001","90","","2254.14","0.12","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H40 O41 Tm4 -","- C30 H5 O41 Tm4 -","- C60 H10 O82 Tm8 -","2","0.5","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71073","MoKα","","0.0438","0.0328","","","0.0847","0.0912","","","","","","1.081","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209235","10.285","0.0002","11.5717","0.0003","13.5114","0.0004","85.581","0.001","69.209","0.001","63.755","0.001","1342.23","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H29 O25 Tm2 -","- C15 H3 O25 Tm2 -","- C30 H6 O50 Tm4 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","","0.71073","MoKα","","0.0587","0.0465","","","0.1371","0.1447","","","","","","1.461","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209236","9.5338","0.0001","11.7159","0.0002","14.7503","0.0003","106.505","0.001","97.684","0.001","101.981","0.001","1512.3","0.05","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C20 H16.5 Gd2.5 O22 -","- C20 H4 Gd2.5 O22 -","- C40 H8 Gd5 O44 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71073","MoKα","","0.0522","0.0448","","","0.1347","0.1399","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209237","10.4135","0.0002","10.5541","0.0002","14.0372","0.0004","99.595","0.001","99.62","0.001","108.843","0.001","1398.72","0.06","298","2","298","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H26 Er2 O23.5 -","- C15 H3 Er2 O23.5 -","- C30 H6 Er4 O47 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71069","MoKα","","0.0481","0.0373","","","0.0939","0.1002","","","","","","1.082","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209238","10.2435","0.0001","11.4789","0.0001","14.015","0.0002","84.763","0.001","78.631","0.001","63.819","0.001","1449.83","0.03","298","2","298","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C15 H31 Gd2 O26 -","- C15 H3 Gd2 O26 -","- C30 H6 Gd4 O52 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71069","MoKα","","0.0487","0.0338","","","0.0791","0.0856","","","","","","1.024","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209239","9.537","0.005","14.761","0.005","23.057","0.005","107.218","0.005","96.735","0.005","97.691","0.005","3030","2","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C40 H56 Gd5 K O56 -","- C40 H8 Gd5 K O56 -","- C80 H16 Gd10 K2 O112 -","2","1","","Luo, Yun; Bernot, Kevin; Calvez, Guillaume; Freslon, Stéphane; Daiguebonne, Carole; Guillou, Olivier; Kerbellec, Nicolas; Roisnel, Thierry","1,2,4,5-Benzene-tetra-carboxylic acid: a versatile ligand for high dimensional lanthanide-based coordination polymers","CrystEngComm","2013","15","10","1882","","10.1039/c2ce26940f","","x-ray","0.71069","MoKα","","0.0825","0.0567","","","0.1625","0.1792","","","","","","1.054","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209240","10.7033","0.0016","11.88","0.004","12.457","0.006","115.528","0.006","106.801","0.005","91.358","0.004","1348","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 N18 O9 Zn2 -","- C52 H52 N18 O9 Zn2 -","- C52 H52 N18 O9 Zn2 -","1","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.1829","0.058","","","0.0921","0.1075","","","","","","0.826","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209241","20.494","0.0007","13.4394","0.0005","23.0775","0.0007","90","","93.709","0.003","90","","6342.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 Cd2 N18 O14 -","- C52 H55 Cd2 N18 O14 -","- C208 H220 Cd8 N72 O56 -","4","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.0878","0.0529","","","0.1675","0.1752","","","","","","1.005","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209242","18.577","0.007","11.671","0.003","18.655","0.005","90","","118.998","0.004","90","","3537.6","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H31 N9 O9 Zn2 -","- C34 H31 N9 O9 Zn2 -","- C136 H124 N36 O36 Zn8 -","4","1","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","1.54184","CuKα","","0.1787","0.0689","","","0.1407","0.1873","","","","","","0.975","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209243","10.3392","0.0014","16.2364","0.0012","22.526","0.002","90","","102.756","0.004","90","","3688.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 Cd2 N9 O10 -","- C34 H30 Cd2 N9 O10 -","- C136 H120 Cd8 N36 O40 -","4","1","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.0914","0.0345","","","0.0464","0.0497","","","","","","0.791","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209244","13.3713","0.0014","14.7967","0.0017","16.661","0.002","103.393","0.008","102.889","0.007","105.532","0.002","2943.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 N18 O13 Zn3 -","- C60 H56 N18 O13 Zn3 -","- C120 H112 N36 O26 Zn6 -","2","1","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.1316","0.066","","","0.1516","0.1854","","","","","","1.003","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209245","9.6371","0.0011","11.5022","0.0014","13.0554","0.0018","72.255","0.012","84.177","0.01","67.195","0.011","1270.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H46 N18 O9 Zn2 -","- C46 H46 N18 O9 Zn2 -","- C46 H46 N18 O9 Zn2 -","1","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","1.54184","CuKα","","0.0986","0.0676","","","0.177","0.2003","","","","","","1.011","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209246","11.896","0.002","11.896","0.003","34.2854","0.0017","90","","90","","90","","4851.9","1.5","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C46 H46 Cd2 N18 O9 -","- C46 H44 Cd2 N18 O9 -","- C184 H176 Cd8 N72 O36 -","4","0.5","","Liu, Ying-Ying; Liu, Hai-Yan; Ma, Jian-Fang; Yang, Yan; Yang, Jin","Syntheses, structures and photoluminescent properties of Zn(ii) and Cd(ii) coordination polymers with flexible tripodal triazole-containing ligands","CrystEngComm","2013","15","10","1897","","10.1039/c2ce26958a","","","0.71073","MoKα","","0.0499","0.0331","","","0.0758","0.078","","","","","","0.952","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209247","6.741","0.001","6.743","0.001","8.58","0.002","90","","90","","90","","390","0.12","8","2","8","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-methylurea","N-methylurea","","- C2 H6 N2 O -","- C2 H6 N2 O -","- C8 H24 N8 O4 -","4","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.5166","synchrotron","","0.027","0.027","","","","0.058","0.051","","","","","1.485","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209248","4.634","0.001","5.292","0.001","13.943","0.003","90","","95.57","0.03","90","","340.31","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","N-phenylurea","N-phenylurea","","- C7 H8 N2 O -","- C7 H8 N2 O -","- C14 H16 N4 O2 -","2","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.6","synchrotron","","0.021","0.02","","","","0.04","0.028","","","","","2.072","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209249","9.09","0.002","10.372","0.002","11.77","0.002","90","","90","","90","","1109.7","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","N,N'-diphenylurea","N,N'-diphenylurea","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Chęcińska, Lilianna; Morgenroth, Wolfgang; Paulmann, Carsten; Jayatilaka, Dylan; Dittrich, Birger","A comparison of electron density from Hirshfeld-atom refinement, X-ray wavefunction refinement and multipole refinement on three urea derivatives","CrystEngComm","2013","15","11","2084","","10.1039/c2ce26964c","","","0.6","synchrotron","","0.021","0.02","","","","0.044","0.054","","","","","2.348","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209250","20.8671","0.0008","10.4343","0.0004","18.53","0.0007","90","","101.947","0.002","90","","3947.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","XST-FG-3","","","- C25 H20 N2 O2 -","- C25 H20 N2 O2 -","- C200 H160 N16 O16 -","8","1","","Xu, Shengtao; Zhou, Yu; Xu, Jinyi; Jiang, Hualiang; Liu, Hong","Gold-catalyzed Michael addition/intramolecular annulation cascade: an effective pathway for the chemoselective- and regioselective synthesis of tetracyclic indole derivatives in water","Green Chemistry","2013","15","3","718","","10.1039/c2gc36301a","","","0.71073","MoKα","","0.0419","0.0383","","","0.102","0.1051","","","","","","1.043","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209251","17.5123","0.0017","13.6834","0.0015","15.2911","0.0014","90","","90","","90","","3664.2","0.6","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H12 Co N2 O5 -","- C18 H12 Co N2 O5 -","- C144 H96 Co8 N16 O40 -","8","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0963","0.0645","","","0.2052","0.2272","","","","","","1.13","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209252","17.1691","0.0004","13.5523","0.0004","15.4503","0.0005","90","","90","","90","","3594.99","0.18","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C18 H12 N2 Ni O5 -","- C18 H12 N2 Ni O5 -","- C144 H96 N16 Ni8 O40 -","8","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0729","0.0586","","","0.2131","0.2263","","","","","","1.157","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209253","13.6268","0.0005","16.8885","0.0006","15.9853","0.0005","90","","93.269","0.002","90","","3672.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Co2 N4 O10 -","- C36 H26 Co2 N4 O10 -","- C144 H104 Co8 N16 O40 -","4","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0804","0.0539","","","0.1862","0.2073","","","","","","1.083","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209256","22.1775","0.0005","7.3566","0.0002","22.1781","0.0005","90","","94.089","0.001","90","","3609.17","0.15","296","2","296","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C48 H63 O64 Zn8 -","- C48 H16 O64 Zn8 -","- C96 H32 O128 Zn16 -","2","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Rogez, Guillaume; Lin, Zhi","Synthesis, characterization and observation of structural diversities in a series of transition metal based furan dicarboxylic acid systems","CrystEngComm","2013","15","11","2113","","10.1039/c3ce26306a","","","0.71073","MoKα","","0.0762","0.068","","","0.1953","0.2035","","","","","","1.04","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209257","24.429","0.004","33.425","0.005","20.004","0.003","90","","90","","90","","16334","4","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C96 H194 I6 K6 N60 O76 -","- C96 H103 I6 K6 N60 O34 -","- C384 H412 I24 K24 N240 O136 -","4","0.5","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1146","0.0672","","","0.1956","0.212","","","","","","1.088","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209258","25.899","0.002","19.5796","0.0017","34.39","0.003","90","","94.006","0.002","90","","17396","3","223","2","223","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C118 H236 I6 K6 N60 O83 -","- C118 H132 K6 N60 O36 -","- C472 H528 K24 N240 O144 -","4","1","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1988","0.1228","","","0.2823","0.3189","","","","","","0.965","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209259","20.565","0.004","27.168","0.005","35.246","0.007","90","","90.155","0.003","90","","19692","7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C126 H268 Cl6 K6 N60 O92 -","- C126 H143 K6 N60 O34 -","- C504 H572 K24 N240 O136 -","4","1","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1799","0.0965","","","0.2481","0.2695","","","","","","1.06","","","","has coordinates,has disorder","180423","2020-10-21","18:00:00",""
"7209260","23.8792","0.0008","34.9081","0.0013","20.2709","0.0008","90","","93.448","0.002","90","","16866.8","1.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H70 I2 K2 N20 O21 -","- C42 H47.3333 I K2 N20 O13.6667 -","- C504 H568 I12 K24 N240 O164 -","12","3","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1388","0.0934","","","0.2628","0.2946","","","","","","1.003","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7209261","20.2298","0.0008","33.2253","0.0011","29.4252","0.001","90","","95.186","0.002","90","","19696.9","1.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H90 Cl2 K2 N20 O30 -","- C45 H49.3333 Cl2 K2 N20 O11.6667 -","- C540 H592 Cl24 K24 N240 O140 -","12","3","","Li, Zhong-Fei; Liang, Li-Li; Wu, Feng; Zhou, Fa-Gen; Ni, Xin-Long; Feng, Xing; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Clegg, Jack K.; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang","An approach to networks based on coordination of alkyl-substituted cucurbit[5]urils and potassium ions","CrystEngComm","2013","15","10","1994","","10.1039/c3ce26491b","","","0.71073","MoKα","","0.1052","0.0651","","","0.1704","0.186","","","","","","0.995","","","","has coordinates","187017","2020-10-21","18:00:00",""
"7209262","11.297","0.002","9.665","0.0019","10.413","0.002","90","","114.59","0.03","90","","1033.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 Ce O11 -","- C3 H10 Ce O11 -","- C12 H40 Ce4 O44 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0507","0.042","","","0.0774","0.0792","","","","","","1.051","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209263","9.6103","0.0019","11.531","0.002","12.2","0.002","90","","99.03","0.03","90","","1335.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Er O13 -","- C6 H15 Er O13 -","- C24 H60 Er4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0313","0.0264","","","0.0927","0.0985","","","","","","0.811","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209264","9.5915","0.0019","11.452","0.002","12.178","0.002","90","","98.96","0.03","90","","1321.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 O13 Yb -","- C6 H15 O13 Yb -","- C24 H60 O52 Yb4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0481","0.0426","","","0.1334","0.1393","","","","","","1.109","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209265","20.423","0.003","20.423","0.003","16.226","0.003","90","","90","","90","","6767.8","1.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 N4 O13.25 Sm2 -","- C10 H12.5 N4 O13.25 Sm2 -","- C160 H200 N64 O212 Sm32 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0405","0.0299","","","0.0622","0.0652","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209266","20.3131","0.0014","20.3131","0.0014","16.19","0.002","90","","90","","90","","6680.4","1.1","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 Eu2 N4 O13.25 -","- C10 H12.5 Eu2 N4 O13.25 -","- C160 H200 Eu32 N64 O212 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0439","0.0312","","","0.0722","0.077","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209267","20.299","0.003","20.299","0.003","16.157","0.003","90","","90","","90","","6657.5","1.9","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 Gd2 N4 O13.25 -","- C10 H12.5 Gd2 N4 O13.25 -","- C160 H200 Gd32 N64 O212 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0361","0.0292","","","0.0841","0.0868","","","","","","1.119","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209268","20.227","0.004","20.227","0.004","16.047","0.007","90","","90","","90","","6565","3","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H11.5 N4 O12.75 Tb2 -","- C10 H11.5 N4 O12.75 Tb2 -","- C160 H184 N64 O204 Tb32 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.086","0.0462","","","0.0998","0.1171","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209269","20.213","0.0015","20.213","0.0015","16.001","0.002","90","","90","","90","","6537.5","1.1","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C10 H12.5 Dy2 N4 O13.25 -","- C10 H12.5 Dy2 N4 O13.25 -","- C160 H200 Dy32 N64 O212 -","16","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0456","0.0304","","","0.0666","0.0723","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209270","11.241","0.002","9.6687","0.0019","10.338","0.002","90","","114.51","0.03","90","","1022.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H12 O12 Pr -","- C3 H12 O12 Pr -","- C12 H48 O48 Pr4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0281","0.0261","","","0.0671","0.0687","","","","","","1.032","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209271","9.7166","0.0019","11.926","0.002","12.38","0.003","90","","99.42","0.03","90","","1415.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Nd O13 -","- C6 H15 Nd O13 -","- C24 H60 Nd4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.038","0.0306","","","0.0706","0.0759","","","","","","1.133","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209272","9.6885","0.0019","11.817","0.002","12.326","0.003","90","","99.26","0.03","90","","1392.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 O13 Sm -","- C6 H15 O13 Sm -","- C24 H60 O52 Sm4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0266","0.0227","","","0.0565","0.0581","","","","","","1.079","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209273","9.6661","0.0019","11.737","0.002","12.315","0.003","90","","99.24","0.03","90","","1379","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Eu O13 -","- C6 H15 Eu O13 -","- C24 H60 Eu4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0289","0.0245","","","0.0773","0.0796","","","","","","0.993","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209274","9.659","0.0019","11.718","0.002","12.281","0.003","90","","99.2","0.03","90","","1372.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Gd O13 -","- C6 H15 Gd O13 -","- C24 H60 Gd4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0273","0.0236","","","0.0638","0.0656","","","","","","1.095","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209275","9.6515","0.0019","11.655","0.002","12.264","0.003","90","","99.14","0.03","90","","1362","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 O13 Tb -","- C6 H15 O13 Tb -","- C24 H60 O52 Tb4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0409","0.0303","","","0.0663","0.0699","","","","","","1.031","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209276","9.6315","0.0019","11.613","0.002","12.217","0.002","90","","99.13","0.03","90","","1349.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Dy O13 -","- C6 H15 Dy O13 -","- C24 H60 Dy4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.026","0.0233","","","0.0594","0.0608","","","","","","1.02","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209277","9.6205","0.0019","11.564","0.002","12.229","0.002","90","","99.04","0.03","90","","1343.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Ho O13 -","- C6 H15 Ho O13 -","- C24 H60 Ho4 O52 -","4","1","","Wang, Ping; Fan, Rui-Qing; Liu, Xin-Rong; Wang, Li-Yuan; Yang, Yu-Lin; Cao, Wen-Wu; Yang, Bin; Hasi, WuLiJi; Su, Qing; Mu, Ying","Two-/three-dimensional open lanthanide‒organic frameworks containing rigid/flexible dicarboxylate ligands: synthesis, crystal structure and photoluminescent properties","CrystEngComm","2013","15","10","1931","","10.1039/c3ce26684b","","","0.71073","MoKα","","0.0356","0.0286","","","0.0669","0.0698","","","","","","1.044","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209278","14.726","0.003","5.9694","0.0013","18.782","0.004","90","","97.438","0.012","90","","1637.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 F N3 O3 S2 -","- C16 H16 F N3 O3 S2 -","- C64 H64 F4 N12 O12 S8 -","4","1","","Hoser, Anna A.; Kamiński, Daniel M.; Matwijczuk, Arkadiusz; Niewiadomy, Andrzej; Gagoś, Mariusz; Woźniak, Krzysztof","On polymorphism of 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole (FABT) DMSO solvates","CrystEngComm","2013","15","10","1978","","10.1039/c3ce26778d","","","0.71073","MoKα","","0.1257","0.0565","","","0.125","0.1562","","","","","","0.983","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209279","6.4038","0.0004","10.2494","0.0006","13.1644","0.0009","77.41","0.005","86.768","0.005","82.386","0.005","835.5","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 F N3 O3 S2 -","- C16 H16 F N3 O3 S2 -","- C32 H32 F2 N6 O6 S4 -","2","1","","Hoser, Anna A.; Kamiński, Daniel M.; Matwijczuk, Arkadiusz; Niewiadomy, Andrzej; Gagoś, Mariusz; Woźniak, Krzysztof","On polymorphism of 2-(4-fluorophenylamino)-5-(2,4-dihydroxybenzeno)-1,3,4-thiadiazole (FABT) DMSO solvates","CrystEngComm","2013","15","10","1978","","10.1039/c3ce26778d","","","0.71073","MoKα","","0.0634","0.0366","","","0.0763","0.0813","","","","","","0.931","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209280","12.6672","0.0006","12.6672","0.0006","25.4399","0.0018","90","","90","","90","","4082","0.4","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C6 H5 N4 O2 Zn -","- C6 H5 N4 O2 Zn -","- C96 H80 N64 O32 Zn16 -","16","1","","Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2","CrystEngComm","2013","15","11","2057","","10.1039/c3ce26800d","","","0.71073","MoKα","","0.0501","0.0414","","","0.1153","0.1212","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209281","12.5845","0.0005","12.5845","0.0005","25.4464","0.0014","90","","90","","90","","4029.9","0.3","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C6 H5 Co N4 O2 -","- C6 H5 Co N4 O2 -","- C96 H80 Co16 N64 O32 -","16","1","","Liu, Bo; Zhao, Ruili; Yang, Guoping; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two isostructural amine-functionalized 3D self-penetrating microporous MOFs exhibiting high sorption selectivity for CO2","CrystEngComm","2013","15","11","2057","","10.1039/c3ce26800d","","","0.71073","MoKα","","0.0641","0.0579","","","0.1564","0.1602","","","","","","1.115","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209282","12.668","0.0005","9.6186","0.0004","20.4254","0.0008","90","","95.966","0.004","90","","2475.32","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N9 O9 S Zn2 -","- C20 H18 N9 O9 S Zn2 -","- C80 H72 N36 O36 S4 Zn8 -","4","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71073","MoKα","","0.046","0.0366","","","0.0906","0.0983","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209283","8.91","0.0004","12.007","0.0005","12.526","0.0005","77.708","0.004","76.629","0.004","76.378","0.004","1249.15","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H23 N9 O11 S Zn1.5 -","- C14 H13 N9 O11 S Zn1.5 -","- C28 H26 N18 O22 S2 Zn3 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0605","0.0475","","","0.1382","0.1495","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209284","16.308","0.0009","10.517","0.0005","22.986","0.0014","90","","104.444","0.006","90","","3817.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N18 O16 S3 Zn3 -","- C24 H24 N18 O16 S3 Zn3 -","- C96 H96 N72 O64 S12 Zn12 -","4","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.1019","0.0631","","","0.1375","0.1597","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209285","10.107","0.0005","11.073","0.0007","12.529","0.0008","69.771","0.006","78.299","0.004","81.557","0.004","1283.85","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N9 O7.5 Zn -","- C20 H18 N9 O7.5 Zn -","- C40 H36 N18 O15 Zn2 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0847","0.0583","","","0.1345","0.152","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209286","10.298","0.0004","11.117","0.0006","12.268","0.0004","67.475","0.004","73.32","0.004","68.923","0.004","1192.25","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 Cd N9 O7.5 -","- C20 H23 Cd N9 O7.5 -","- C40 H46 Cd2 N18 O15 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0237","0.0221","","","0.0561","0.0568","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209287","10.144","0.0008","10.797","0.0008","12.16","0.0008","68.36","0.06","72.963","0.006","70.147","0.007","1142.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Co N9 O7 -","- C20 H18 Co N9 O7 -","- C40 H36 Co2 N18 O14 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0804","0.0555","","","0.1185","0.1339","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209288","11.471","0.0008","11.833","0.001","12.272","0.001","80.712","0.007","68.015","0.007","77.768","0.006","1503.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 Cu2 N9 O10.5 -","- C28 H20 Cu2 N9 O10.5 -","- C56 H40 Cu4 N18 O21 -","2","1","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","2D and 3D coordination polymers constructed by a novel hexakis(1,2,4-triazol-ylmethy1)benzene ligand and different carboxylate anions: syntheses, structures, and luminescent properties","CrystEngComm","2013","15","10","2009","","10.1039/c3ce26874h","","","0.71069","MoKα","","0.0946","0.062","","","0.1303","0.1511","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209289","20.479","0.007","20.479","0.007","20.479","0.007","90","","90","","90","","8589","5","296","2","296","2","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- B6 Cl2 H10 Na13 O47 P11 -","- B6 Cl2 Na13 O47 P11 -","- B48 Cl16 Na104 O376 P88 -","8","0.166667","","Feng, Yuquan; Li, Min; Shi, Hengzhen; Huang, Qunzeng; Qiu, Dongfang","A novel chlorine-containing borophosphate based on (4,3)-connected 3-D borophosphate anion [B6P11O42(OH)2]13− with unique B : P ratio and 22-tetrahedral cages","CrystEngComm","2013","15","11","2048","","10.1039/c3ce26918c","","","0.71073","MoKα","","0.0541","0.0504","","","0.1171","0.1187","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209290","7.577","0.003","6.894","0.002","8.927","0.004","90","","102.174","0.005","90","","455.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Imidazolium L-Tartrate","","","- C7 H10 N2 O6 -","- C7 H10 N2 O6 -","- C14 H20 N4 O12 -","2","1","","Ji, Chengmin; Chen, Tianliang; Sun, Zhihua; Ge, Yan; Lin, Wenxiong; Luo, Junhua; Shi, Qian; Hong, Maochun","Bulk crystal growth and characterization of imidazolium l-tartrate (IMLT): a novel organic nonlinear optical material with a high laser-induced damage threshold","CrystEngComm","2013","15","11","2157","","10.1039/c3ce26942f","","","0.71073","MoKα","","0.0257","0.0246","","","0.0635","0.0641","","","","","","1.041","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209291","23.8931","0.0002","23.8931","0.0002","15.9482","0.0003","90","","90","","90","","9104.5","0.2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C16 H12 Be4 O12 -","- C16 H12 Be4 O12 -","- C256 H192 Be64 O192 -","16","1","","Kang, Maoping; Luo, Daibing; Lin, Zhien; Thiele, Günther; Dehnen, Stefanie","Crystalline beryllium carboxylate frameworks containing inorganic chains of BeO4 tetrahedra","CrystEngComm","2013","15","10","1845","","10.1039/c3ce26983c","","","0.71073","MoKα","","0.0699","0.0506","","","0.1374","0.1467","","","","","","1.047","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209292","10.3705","0.0004","11.2422","0.0006","18.403","0.0007","90","","90","","90","","2145.55","0.16","293","2","293","2","","","","","","","","4","C c c m","-C 2 2c","66","","","","- C10 H6 Be4 O12 -","- C10 H6 Be4 O12 -","- C40 H24 Be16 O48 -","4","0.25","","Kang, Maoping; Luo, Daibing; Lin, Zhien; Thiele, Günther; Dehnen, Stefanie","Crystalline beryllium carboxylate frameworks containing inorganic chains of BeO4 tetrahedra","CrystEngComm","2013","15","10","1845","","10.1039/c3ce26983c","","","0.71073","MoKα","","0.0708","0.0563","","","0.1554","0.1649","","","","","","1.124","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209293","16.9","0.02","27.54","0.03","8.179","0.01","90","","90","","90","","3807","8","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C37 H56 Cu I N4 O2 -","- C37 H56 Cu I N4 O2 -","- C148 H224 Cu4 I4 N16 O8 -","4","0.5","","Wang, Wenlong; Zhang, Guodong; Lang, Rui; Xia, Chungu; Li, Fuwei","pH-Responsive N-heterocyclic carbene copper(i) complexes: syntheses and recoverable applications in the carboxylation of arylboronic esters and benzoxazole with carbon dioxide","Green Chemistry","2013","15","3","635","","10.1039/c3gc36830k","","","0.71073","MoKα","","0.182","0.1183","","","0.261","0.2871","","","","","","1.112","","","","has coordinates","180423","2020-10-21","18:00:00",""
"7209505","14.0437","0.0003","16.4599","0.0003","9.3843","0.0002","90","","99.7969","0.0008","90","","2137.62","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 I2 N2 -","- C17 H32 I2 N2 -","- C68 H128 I8 N8 -","4","1","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","0.71073","MoKα","","0.046","0.0346","","0.0821","0.0694","0.0821","","","","","","1.0483","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209506","8.8992","0.0005","9.1246","0.0005","14.513","0.0008","108.091","0.005","93.709","0.004","106.155","0.004","1061.15","0.11","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H34 Cl I N2 O -","- C17 H34 Cl I N2 O -","- C34 H68 Cl2 I2 N4 O2 -","2","1","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","1.5418","CuKα","","0.0436","0.0422","","0.1087","0.1067","0.1087","","","","","","1.0779","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209507","8.7542","0.0002","9.3695","0.0002","13.6378","0.0004","71.4823","0.001","74.1255","0.0011","73.9467","0.0011","997.94","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H35 Br N2 O -","- C17 H35 Br N2 O -","- C34 H70 Br2 N4 O2 -","2","1","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","0.71073","MoKα","","0.0727","0.0427","","0.1213","0.0933","0.1213","","","","","","0.92","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209508","18.4148","0.0002","8.7874","0.0001","27.3027","0.0004","90","","107.422","0.0005","90","","4215.4","0.09","150","","150","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H34 Br2 N2 O -","- C17 H34 Br2 N2 O -","- C136 H272 Br16 N16 O8 -","8","2","","Caballero, Antonio; Bennett, Sam; Serpell, Christopher J.; Beer, Paul D.","Iodo-imidazolium salts: halogen bonding in crystals and anion-templated pseudorotaxanes","CrystEngComm","2013","15","16","3076","","10.1039/c2ce26020d","","","0.71073","MoKα","","0.0786","0.0507","","0.1048","0.0948","0.1048","","","","","","1.0066","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209509","18.5049","0.0001","23.8735","0.0002","9.3156","0.0001","90","","90","","90","","4115.42","0.06","173","","173","","","","","","","","","4","F d d 2","F 2 -2d","43","diimidazolatozinc(ii)","diimidazolatozinc(II)","","- C17 H17 N9 Zn2 -","- C17 H17 N9 Zn2 -","- C136 H136 N72 Zn16 -","8","0.5","","Schröder, Christian A.; Baburin, Igor A.; van Wüllen, Leo; Wiebcke, Michael; Leoni, Stefano","Subtle polymorphism of zinc imidazolate frameworks: temperature-dependent ground states in the energy landscape revealed by experiment and theory","CrystEngComm","2013","15","20","4036","","10.1039/c2ce26045j","","","1.54184","CuKα","","0.0284","0.0283","","","0.0731","0.0732","","","","","","1.031","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209510","11.814","0.003","18.304","0.005","7.957","0.002","90","","90","","90","","1720.6","0.8","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","(E)-3-(4-(benzyloxy)phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","1","","Ramkumar, V.; Anandhi, S.; Kannan, P.; Gopalakrishnan, R.","Synthesis, single crystal growth, characterization and comparison of two new enone shifted chalcones and their NLO behaviour","CrystEngComm","2013","15","13","2438","","10.1039/c2ce26185e","","","0.71073","MoKα","","0.0784","0.0515","","","0.1336","0.1591","","","","","","1.059","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209511","18.981","0.0006","7.5355","0.0003","24.6569","0.0007","90","","105.108","0.002","90","","3404.8","0.2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-1-(4-(benzyloxy)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","- C22 H18 O3 -","- C22 H18 O3 -","- C176 H144 O24 -","8","1","","Ramkumar, V.; Anandhi, S.; Kannan, P.; Gopalakrishnan, R.","Synthesis, single crystal growth, characterization and comparison of two new enone shifted chalcones and their NLO behaviour","CrystEngComm","2013","15","13","2438","","10.1039/c2ce26185e","","","0.71073","MoKα","","0.0537","0.037","","","0.106","0.1209","","","","","","1.029","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209512","6.3071","0.001","8.0751","0.0014","8.5714","0.0011","104.521","0.013","94.539","0.01","102.964","0.011","407.57","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","trans-Bis(2,5-dibromopyridine)dibromocopper(ii)","trans-Bis(2,5-dibromopyridine)dibromocopper(II)","","- C10 H6 Br6 Cu N2 -","- C10 H6 Br6 Cu N2 -","- C10 H6 Br6 Cu N2 -","1","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Turnbull, Mark M.; Landee, Christopher P.; Willett, Roger D.","Copper‒halide bonds as magnetic tunnels; structural, magnetic and theoretical studies of trans-bis(2,5-dibromopyridine)dihalo copper(ii) and trans-bis(2-bromopyridine)dibromo copper(ii)","CrystEngComm","2013","15","16","3111","","10.1039/c2ce26211h","","","0.71073","MoKα","","0.0511","0.0412","","","0.11","0.1172","","","","","","1.026","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209513","8.3173","0.0013","12.847","0.002","14.61","0.003","90","","90.868","0.008","90","","1560.9","0.5","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","trans-Bis(2,5-dibromopyridine)dichlorocopper(ii)","trans-Bis(2,5-dibromopyridine)dichlorocopper(II)","","- C10 H6 Br4 Cl2 Cu N2 -","- C10 H6 Br4 Cl2 Cu N2 -","- C40 H24 Br16 Cl8 Cu4 N8 -","4","0.5","","Awwadi, Firas F.; Haddad, Salim F.; Turnbull, Mark M.; Landee, Christopher P.; Willett, Roger D.","Copper‒halide bonds as magnetic tunnels; structural, magnetic and theoretical studies of trans-bis(2,5-dibromopyridine)dihalo copper(ii) and trans-bis(2-bromopyridine)dibromo copper(ii)","CrystEngComm","2013","15","16","3111","","10.1039/c2ce26211h","","","0.71073","MoKα","","0.0672","0.0516","","","0.1313","0.1429","","","","","","1.02","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209514","10.457","0.0001","19.097","0.0002","17.707","0.0002","90","","91.212","0.001","90","","3535.25","0.06","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C28 H28 Co1.5 N12 O10 W -","- C28 H28 Co1.5 N12 O10 W -","- C112 H112 Co6 N48 O40 W4 -","4","1","","Chorazy, Szymon; Podgajny, Robert; Majcher, Anna M.; Nitek, Wojciech; Rams, Michał; Suturina, Elizaveta A.; Ungur, Liviu; Chibotaru, Liviu F.; Sieklucka, Barbara","Magnetic anisotropy of CoII‒WV ferromagnet: single crystal and ab initio study","CrystEngComm","2013","15","13","2378","","10.1039/c2ce26387d","","","0.71073","MoKα","","0.0376","0.028","","","0.0718","0.0751","","","","69.706","69.706","1.038","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209515","5.3318","0.0005","9.5162","0.0009","12.7812","0.0013","90","","96.49","0.01","90","","644.34","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H7 Li O5 -","- C4 H7 Li O5 -","- C16 H28 Li4 O20 -","4","1","","Bonnard, Gaëtan; Barrès, Anne-Lise; Mentré, Olivier; Allis, Damian G.; Gatti, Carlo; Poizot, Philippe; Frayret, Christine","The low/room-temperature forms of the lithiated salt of 3,6-dihydroxy-2,5-dimethoxy-p-benzoquinone: a combined experimental and dispersion-corrected density functional study","CrystEngComm","2013","15","15","2809","","10.1039/c2ce26523k","","","0.71073","MoKα","","0.0422","0.0316","","","0.0266","0.0321","","","","1.07","1.07","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209516","10.561","0.0008","9.4941","0.0007","13.2344","0.0008","90","","107.394","0.003","90","","1266.3","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Li2 O10 -","- C8 H14 Li2 O10 -","- C32 H56 Li8 O40 -","4","1","","Bonnard, Gaëtan; Barrès, Anne-Lise; Mentré, Olivier; Allis, Damian G.; Gatti, Carlo; Poizot, Philippe; Frayret, Christine","The low/room-temperature forms of the lithiated salt of 3,6-dihydroxy-2,5-dimethoxy-p-benzoquinone: a combined experimental and dispersion-corrected density functional study","CrystEngComm","2013","15","15","2809","","10.1039/c2ce26523k","","","0.71073","MoKα","","0.0501","0.0327","","","0.0488","0.0538","","","","1.25","1.25","1.15","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209517","8.7716","0.0003","16.9903","0.0006","20.5716","0.0007","104.794","0.002","102.209","0.002","92.243","0.002","2883.05","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Cu2 O14 S12 Se12 -","- C38 H24 Cu2 O15 S12 Se12 -","- C76 H48 Cu4 O30 S24 Se24 -","2","1","","Zhang, Bin; Zhang, Yan; Wang, Zheming; Gao, Song; Guo, Yanjun; Liu, Fen; Zhu, Daoben","BETS3[Cu2(C2O4)3](CH3OH)2: an organic‒inorganic hybrid antiferromagnetic metal (BETS = bisethylene(tetraselenfulvalene))","CrystEngComm","2013","15","18","3529","","10.1039/c2ce26552d","","","0.71073","MoKα","","0.1752","0.0604","","","0.1523","0.191","","","","","","0.898","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209518","6.819","0.005","10.781","0.005","14.252","0.005","72.89","0.005","80.394","0.005","74.456","0.005","960.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl5 N3 O5 U -","- C10 H10 Cl5 N3 O5 U -","- C20 H20 Cl10 N6 O10 U2 -","2","1","","Andrews, Michael B.; Cahill, Christopher L.","Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability","CrystEngComm","2013","15","16","3082","","10.1039/c2ce26561c","","","0.71073","MoKα","","0.0631","0.0552","","","0.1567","0.1679","","","","","","1.04","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209519","9.739","0.005","16.484","0.005","12.95","0.005","90","0.005","102.36","0.005","90","0.005","2030.8","1.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C10 H10 Br2 Cl3 N3 O5 U -","- C10 H10 Br2 Cl3 N3 O5 U -","- C40 H40 Br8 Cl12 N12 O20 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability","CrystEngComm","2013","15","16","3082","","10.1039/c2ce26561c","","","0.71073","MoKα","","0.0838","0.0463","","","0.1076","0.1396","","","","","","1.055","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209520","7.9797","0.0005","25.0428","0.0017","14.7303","0.001","90","","103.019","0.002","90","","2868","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl3 I3 N5 O8 U -","- C15 H15 Cl3 I3 N5 O8 U -","- C60 H60 Cl12 I12 N20 O32 U4 -","4","1","","Andrews, Michael B.; Cahill, Christopher L.","Metal‒organic hybrids involving the [UO2Cl3(NO3)]2− tecton and the role of halogen polarizability","CrystEngComm","2013","15","16","3082","","10.1039/c2ce26561c","","","0.71073","MoKα","","0.0778","0.0543","","","0.1333","0.1476","","","","","","1.049","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7209521","15.893","0.002","26.122","0.004","25.301","0.003","90","","94.641","0.002","90","","10469","2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C158 H65 Br3 N8 -","- C158 H65 Br3 N8 -","- C632 H260 Br12 N32 -","4","1","","Shimizu, Soji; Miura, Akito; Kobayashi, Nagao","Highly deformed phthalocyanine as a suitable scaffold for pristine fullerenes","CrystEngComm","2013","15","19","3759","","10.1039/c2ce26618k","","","0.71073","MoKα","","0.0621","0.0482","","","0.1159","0.1227","","","","","","1.033","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209522","15.5528","0.0007","26.013","0.0012","27.1199","0.0012","90","","93.28","0.002","90","","10954.1","0.9","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C172.5 H71.5 Br3.5 N8 O1.5 -","- C172.5 H71.5 Br3.5 N8 O1.5 -","- C690 H286 Br14 N32 O6 -","4","1","","Shimizu, Soji; Miura, Akito; Kobayashi, Nagao","Highly deformed phthalocyanine as a suitable scaffold for pristine fullerenes","CrystEngComm","2013","15","19","3759","","10.1039/c2ce26618k","","","1.54178","CuKα","","0.0549","0.0534","","","0.1294","0.1305","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209523","8.9378","0.0018","15.708","0.003","8.9066","0.0018","90","","100.67","0.03","90","","1228.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Dy O10 -","- C10 H9 Dy O10 -","- C40 H36 Dy4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.068","0.0441","","","0.0799","0.0858","","","","","","1.148","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209524","8.9007","0.0018","15.592","0.003","8.8728","0.0018","90","","100.63","0.03","90","","1210.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Er O10 -","- C10 H9 Er O10 -","- C40 H36 Er4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0783","0.0503","","","0.0819","0.0882","","","","","","1.191","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209525","8.96312","0.00018","15.7701","0.0003","8.95189","0.00018","90","","100.376","0.002","90","","1244.65","0.04","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Eu O10 -","- C10 H9 Eu O10 -","- C40 H36 Eu4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0271","0.021","","","0.0452","0.0467","","","","","","1.037","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209526","8.9811","0.0003","15.7995","0.0006","8.9343","0.0003","90","","100.505","0.003","90","","1246.5","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Gd O10 -","- C10 H9 Gd O10 -","- C40 H36 Gd4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0319","0.0243","","","0.0518","0.0569","","","","","","1.072","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209527","8.93845","0.00013","15.6658","0.0002","8.88816","0.00016","90","","100.648","0.0015","90","","1223.16","0.03","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Ho O10 -","- C10 H9 Ho O10 -","- C40 H36 Ho4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0235","0.0203","","","0.0445","0.0461","","","","","","1.11","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209528","8.9151","0.0018","15.521","0.003","8.8732","0.0018","90","","100.58","0.03","90","","1206.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Lu O10 -","- C10 H9 Lu O10 -","- C40 H36 Lu4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0629","0.0434","","","0.0671","0.071","","","","","","1.236","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209529","19.808","0.004","9.989","0.002","6.9059","0.0014","90","","106.03","0.03","90","","1313.3","0.5","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H11 Nd O10 -","- C10 H9 Nd O10 -","- C40 H36 Nd4 O40 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0215","0.0204","","","0.048","0.0484","","","","","","1.034","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209530","19.115","0.004","9.674","0.0019","6.6627","0.0013","90","","106.72","0.03","90","","1180","0.4","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H11 O10 Pr -","- C10 H9 O10 Pr -","- C40 H36 O40 Pr4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0449","0.0447","","","0.1093","0.1097","","","","","","1.055","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209531","8.92","0.0018","15.66","0.003","8.95","0.0018","90","","100.58","0.03","90","","1228.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 O10 Tb -","- C10 H5 O10 Tb -","- C40 H20 O40 Tb4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0703","0.0495","","","0.077","0.0821","","","","","","1.235","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209532","8.8839","0.0005","15.4942","0.0011","8.8941","0.0006","90","","100.575","0.006","90","","1203.47","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 O10 Yb -","- C10 H9 O10 Yb -","- C40 H36 O40 Yb4 -","4","1","","Zhao, Xiao-Qing; Liu, Xu-Hui; Li, Ji-Jing; Zhao, Bin","Syntheses, structures, photoluminescence and magnetic properties of four-connected lanthanide‒tricarboxylate coordination polymers","CrystEngComm","2013","15","17","3308","","10.1039/c2ce26695d","","","0.71073","MoKα","","0.0372","0.0266","","","0.0679","0.0702","","","","","","1.057","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209533","27.6","0.004","27.6","0.004","26.7","0.005","90","","90","","90","","20339","6","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C78 H76 Cl Cu5 N20 O38.5 V16 -","- C78 H66 Cl Cu5 N20 O38.5 V16 -","- C624 H528 Cl8 Cu40 N160 O308 V128 -","8","0.5","","Teng, Yun-lei; Dong, Bao-xia; Peng, Jun; Zhang, Shi-yang; Chen, Lu; Song, Liang; Ge, Jun","Spontaneous resolution of 3D chiral hexadecavanadate-based frameworks incorporating achiral flexible and rigid ligands","CrystEngComm","2013","15","15","2783","","10.1039/c2ce26719e","","","0.71073","MoKα","","0.1116","0.0748","","","0.1861","0.2084","","","","","","1.041","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209534","27.672","0.004","27.672","0.004","26.693","0.005","90","","90","","90","","20440","6","293","2","293","2","","","","","","","","7","I 41 2 2","I 4bw 2bw","98","","","","- C78 H76 Cl Cu5 N20 O38.5 V16 -","- C78 H70 Cl Cu5 N20 O38.5 V16 -","- C624 H560 Cl8 Cu40 N160 O308 V128 -","8","0.5","","Teng, Yun-lei; Dong, Bao-xia; Peng, Jun; Zhang, Shi-yang; Chen, Lu; Song, Liang; Ge, Jun","Spontaneous resolution of 3D chiral hexadecavanadate-based frameworks incorporating achiral flexible and rigid ligands","CrystEngComm","2013","15","15","2783","","10.1039/c2ce26719e","","","0.71073","MoKα","","0.1204","0.062","","","0.1471","0.1721","","","","","","0.926","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209535","20.059","0.0006","20.059","0.0006","7.1686","0.0004","90","","90","","120","","2497.95","0.17","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.62(EtOH)0.66","","","- C25.32 H9.96 F3.72 I6 N6 O0.66 P0.62 S12 -","- C24 H6 F3 I6 N6 O6 P0.5 S12 -","- C48 H12 F6 I12 N12 O12 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.045","0.0424","","","0.1435","0.1458","","","","","","1.225","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209536","20.046","0.0008","20.046","0.0008","7.1715","0.0005","90","","90","","120","","2495.7","0.2","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.70(1-PrOH)0.65","","","- C25.95 H11.2 F4.2 I6 N6 O0.65 P0.7 S12 -","- C37 H6 F3 I6 N6 O2.04 P0.5 S12 -","- C74 H12 F6 I12 N12 O4.08 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0734","0.0729","","","0.1597","0.1599","","","","","","1.489","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209537","20.0545","0.0008","20.0545","0.0008","7.1733","0.0005","90","","90","","120","","2498.5","0.2","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.63(2-PrOH)0.92","","","- C26.76 H13.36 F3.78 I6 N6 O0.92 P0.63 S12 -","- C38.98 H6 F3 I6 N6 P0.5 S12 -","- C77.96 H12 F6 I12 N12 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0495","0.0487","","","0.1103","0.1123","","","","","","1.287","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209538","20.0989","0.0009","20.0989","0.0009","7.2043","0.0006","90","","90","","120","","2520.4","0.3","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.51(Acetone)1.97","","","- C29.91 H17.82 F3.06 I6 N6 O1.97 P0.51 S12 -","- C30.02 H17.88 F3 I6 N6 O1.98 P0.5 S12 -","- C60.04 H35.76 F6 I12 N12 O3.96 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0582","0.0577","","","0.1198","0.1199","","","","","","1.539","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209539","20.0593","0.0013","20.0593","0.0013","7.1695","0.0009","90","","90","","120","","2498.3","0.4","293","2","293","2","","","","","","","","8","P 63/m c m","-P 6c 2","193","(DIP)3(PF6)0.62(AcOEt)0.49","","","- C25.96 H9.92 F3.72 I6 N6 O0.98 P0.62 S12 -","- C36.96 H6 F3 I6 N6 P0.5 S12 -","- C73.92 H12 F6 I12 N12 P S24 -","2","0.0833333","","Imakubo, Tatsuro; Murayama, Ryosuke","Solvent dependence of crystal morphology, donor/anion ratio and electrical conductivity in a series of hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetrathiafulvalene (DIP)","CrystEngComm","2013","15","16","3072","","10.1039/c2ce26739j","","","0.71073","MoKα","","0.0526","0.0503","","","0.1187","0.1198","","","","","","1.469","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209540","4.902","0.0003","21.4561","0.0012","12.1298","0.0007","90","","100.151","0.002","90","","1255.82","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,3'-AzoPy 1-HB-XB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4- PhCOOH)2","3,3'-AzoPy 1-HB-XB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhCOOH)2","","- C24 H10 F8 I2 N4 O4 -","- C24 H10 F8 I2 N4 O4 -","- C48 H20 F16 I4 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0239","0.0207","","","0.0492","0.0508","","","","","","1.068","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209541","4.8724","0.0003","22.0007","0.0013","11.6936","0.0007","90","","101.336","0.003","90","","1229.06","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,3'-AzoPy 2-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4- PhCOOH)2","3,3'-AzoPy 2-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhCOOH)2","","- C24 H10 Br2 F8 N4 O4 -","- C24 H10 Br2 F8 N4 O4 -","- C48 H20 Br4 F16 N8 O8 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.0275","0.0261","","","0.0679","0.0688","","","","","","1.084","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209542","19.0228","0.0011","16.8636","0.001","7.2425","0.0004","90","","93.198","0.002","90","","2319.7","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","3,3'-AzoPy-3HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhOH)2","3,3'-AzoPy-3HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhOH)2","","- C22 H10 F8 I2 N4 O2 -","- C22 H10 F8 I2 N4 O2 -","- C88 H40 F32 I8 N16 O8 -","4","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0196","0.0176","","","0.045","0.0463","","","","","","1.021","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209543","18.2149","0.0008","16.4379","0.0007","7.4736","0.0004","90","","99.631","0.002","90","","2206.17","0.18","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,3'-AzoPy 4-HBXB, (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4- PhOH)2","3,3'-AzoPy 4-HBXB, (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhOH)2","","- C22 H10 Br2 F8 N4 O2 -","- C22 H10 Br2 F8 N4 O2 -","- C88 H40 Br8 F32 N16 O8 -","4","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0375","0.0265","","","0.0656","0.0699","","","","","","0.998","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209544","5.6341","0.0004","10.4834","0.0007","11.5197","0.0008","75.365","0.002","77.562","0.002","80.975","0.002","639.09","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","3,3'-AzoPy 8-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4- PhCH=NOH)2","3,3'-AzoPy 8-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-I-F4-PhCH=NOH)2","","- C24 H12 F8 I2 N6 O2 -","- C24 H12 F8 I2 N6 O2 -","- C24 H12 F8 I2 N6 O2 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0194","0.0186","","","0.0439","0.0444","","","","","","1.085","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209545","8.35","0.0008","8.3646","0.0008","9.8996","0.001","105.765","0.003","103.151","0.003","99.733","0.003","628","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","3,3'-AzoPy 5-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhCHO oxime)2","3,3'-AzoPy 5-HBXB (3-pyridyl)-N=N-(3-pyridyl), (4-Br-F4-PhCHO oxime)2","","- C24 H12 Br2 F8 N6 O2 -","- C24 H12 Br2 F8 N6 O2 -","- C24 H12 Br2 F8 N6 O2 -","1","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0597","0.048","","","0.1208","0.1288","","","","","","1.052","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209546","6.2112","0.0008","8.1879","0.0011","8.9824","0.0012","84.843","0.003","70.837","0.003","77.402","0.003","421.03","0.1","120","2","120","2","","","","","","","","6","P 1","P 1","1","4,4'-AzoPy 1-HB-XB (4-pyridyl)-N=N-(4-pyridyl), (4-I-F4- PhCOOH)","4,4'-AzoPy 1-HB-XB (4-pyridyl)-N=N-(4-pyridyl), (4-I-F4-PhCOOH)","","- C17 H9 F4 I N4 O2 -","- C17 H9 F4 I N4 O2 -","- C17 H9 F4 I N4 O2 -","1","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0489","0.0433","","","0.1123","0.1149","","","","","","1.065","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209547","10.1601","0.0006","13.4584","0.0008","14.4512","0.001","112.181","0.004","90.56","0.004","111.547","0.004","1676.5","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H9 Br F4 N4 O2 -","- C17 H9 Br F4 N4 O2 -","- C68 H36 Br4 F16 N16 O8 -","4","2","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.1012","0.0886","","","0.227","0.2362","","","","","","1.078","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209548","6.1515","0.0005","9.8197","0.0007","13.7443","0.001","81.558","0.003","85.932","0.003","78.342","0.003","803.57","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","4,4'-AzoPy 3-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhOH","4,4'-AzoPy 3-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhOH","","- C16 H9 F4 I N4 O -","- C16 H9 F4 I N4 O -","- C32 H18 F8 I2 N8 O2 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.0293","0.0275","","","0.0746","0.0756","","","","","","1.082","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209549","6.3706","0.0003","9.567","0.0005","13.3289","0.0007","79.453","0.002","83.09","0.002","79.476","0.001","782.03","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","4,4'-AzoPy 4-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-Br-F4-PhOH","4,4'-AzoPy 4-HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-Br-F4-PhOH","","- C16 H9 Br F4 N4 O -","- C16 H9 Br F4 N4 O -","- C32 H18 Br2 F8 N8 O2 -","2","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0311","0.0269","","","0.0699","0.072","","","","","","1.037","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209550","17.6282","0.0007","6.3167","0.0003","31.7318","0.0014","90","","96.518","0.002","90","","3510.6","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4,4'-AzoPy 8HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhCHO oxime","4,4'-AzoPy 8HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhCHO oxime","","- C17 H10 F4 I N5 O -","- C17 H10 F4 I N5 O -","- C136 H80 F32 I8 N40 O8 -","8","1","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","0.71073","MoKα","","0.0303","0.0239","","","0.0548","0.0575","","","","","","1.04","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209551","10.2846","0.001","4.6215","0.0005","27.841","0.002","90","","98.246","0.006","90","","1309.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","4,4'AzoPy 5-HBXB (4-pyridyl)-N=N-(4-pyridyl), (4-Br-F4-PhCHO oxime)2","4,4'AzoPy 5-HBXB (4-pyridyl)-N=N-(4-pyridyl), (4-Br-F4-PhCHO oxime)2","","- C24 H12 Br2 F8 N6 O2 -","- C24 H12 Br2 F8 N6 O2 -","- C48 H24 Br4 F16 N12 O4 -","2","0.5","","Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John","Competing hydrogen-bond and halogen-bond donors in crystal engineering","CrystEngComm","2013","15","16","3125","","10.1039/c2ce26747k","","","1.54178","CuKα","","0.0763","0.0595","","","0.1457","0.1586","","","","","","1.099","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209552","11.826","0.0005","5.0779","0.0002","14.4717","0.0006","90","","113.431","0.002","90","","797.38","0.06","123","1","123","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 F8 I2 -","- C16 F8 I2 -","- C32 F16 I4 -","2","0.5","","Walter, Sebastian M.; Sarwar, Mohammed G.; Chudzinski, Michael G.; Herdtweck, Eberhardt; Lough, Alan J.; Huber, Stefan M.; Taylor, Mark S.","Halogen bonding and π‒π interactions in the solid-state structure of a butadiynylene-linked bis(iodoperfluoroarene)","CrystEngComm","2013","15","16","3097","","10.1039/c2ce26751a","","","0.71073","MoKα","","0.0233","0.0223","","","0.0545","0.055","","","","","","1.087","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209553","13.7911","0.0004","30.7832","0.001","8.3658","0.0001","90","","96.292","0.0019","90","","3530.17","0.16","150","1","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H36 F8 I3 N -","- C32 H36 F8 I3 N -","- C128 H144 F32 I12 N4 -","4","1","","Walter, Sebastian M.; Sarwar, Mohammed G.; Chudzinski, Michael G.; Herdtweck, Eberhardt; Lough, Alan J.; Huber, Stefan M.; Taylor, Mark S.","Halogen bonding and π‒π interactions in the solid-state structure of a butadiynylene-linked bis(iodoperfluoroarene)","CrystEngComm","2013","15","16","3097","","10.1039/c2ce26751a","","","0.71073","MoKα","","0.0553","0.0433","","","0.0965","0.106","","","","","","1.069","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209554","14.347","0.0007","6.471","0.0003","76.54","0.003","90","","92.998","0.004","90","","7096.2","0.6","297","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 I2 N Ni2 S20 -","- C18 H6 I2 N Ni2 S20 -","- C144 H48 I16 N8 Ni16 S160 -","8","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0635","","","","0.1857","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209555","7.632","0.005","11.716","0.007","20.19","0.01","98.87","0.01","93.4","0.008","101.19","0.01","1742.4","1.8","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H6 Br2 N Ni2 S20 -","- C18 H6 Br2 N Ni2 S20 -","- C36 H12 Br4 N2 Ni4 S40 -","2","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0533","","","","0.1805","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209556","35.368","0.007","11.088","0.002","13.129","0.003","90","","103.317","0.003","90","","5010.2","1.8","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H6 I2 N Ni3 S30 -","- C24 H6 I2 N Ni3 S30 -","- C96 H24 I8 N4 Ni12 S120 -","4","0.5","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0389","","","","0.1034","","","","","","0.976","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209557","14.218","0.004","6.436","0.001","76.15","0.02","90","","93.836","0.009","90","","6953","3","296.2","","296.2","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H6 Br I N Ni2 S20 -","- C18 H6 Br I N Ni2 S20 -","- C144 H48 Br8 I8 N8 Ni16 S160 -","8","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0549","","","","0.1734","","","","","","1.121","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209558","7.427","0.002","11.68","0.003","21.199","0.007","81.935","0.01","96.406","0.011","99.938","0.011","1786.2","0.9","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H6 I2 N Ni2 S20 -","- C18 H6 I2 N Ni2 S20 -","- C36 H12 I4 N2 Ni4 S40 -","2","1","","Kosaka, Yosuke; Yamamoto, Hiroshi M.; Tajima, Akiko; Nakao, Akiko; Cui, Hengbo; Kato, Reizo","Supramolecular Ni(dmit)2 salts with halopyridinium cations -development of multifunctional molecular conductors with the use of competing supramolecular interactions","CrystEngComm","2013","15","16","3200","","10.1039/c2ce26841h","","","0.7107","MoKα","","","0.0559","","","","0.1679","","","","","","1.005","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209559","11.4552","0.0013","10.586","0.002","18.08","0.003","90","","107.115","0.003","90","","2095.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N3 O4 Zn -","- C22 H16 N3 O4 Zn -","- C88 H64 N12 O16 Zn4 -","4","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0733","0.0393","","","0.0998","0.1066","","","","","","0.897","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209560","11.5009","0.0014","10.475","0.002","18.115","0.003","90","","103.417","0.004","90","","2122.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N4 O4 Zn -","- C22 H17 N4 O4 Zn -","- C88 H68 N16 O16 Zn4 -","4","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0738","0.0385","","","0.0801","0.0858","","","","","","0.824","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209561","15.1367","0.0016","9.579","0.002","18.531","0.003","90","","96.767","0.003","90","","2668.2","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H40 N6 O14 Zn3 -","- C52 H40 N6 O14 Zn3 -","- C104 H80 N12 O28 Zn6 -","2","0.5","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.1197","0.0508","","","0.1044","0.1173","","","","","","0.818","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209562","25.161","0.003","11.253","0.002","18.172","0.003","90","","90","0.004","90","","5145.2","1.4","293","2","293","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C46 H34 N6 O14 Zn3 -","- C46 H34 N6 O14 Zn3 -","- C184 H136 N24 O56 Zn12 -","4","0.5","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71069","MoKα","","0.0951","0.045","","","0.1066","0.1151","","","","","","0.871","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209563","9.176","0.005","10.783","0.002","11.423","0.003","80.53","0.006","67.186","0.007","78.205","0.002","1015.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cd N3 O5 -","- C22 H18 Cd N3 O5 -","- C44 H36 Cd2 N6 O10 -","2","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71069","MoKα","","0.0824","0.0389","","","0.0518","0.055","","","","","","0.773","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209564","8.424","0.002","9.959","0.006","11.898","0.005","90.723","0.004","105.561","0.008","101.282","0.005","940.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cd N3 O4 -","- C22 H16 Cd N3 O4 -","- C44 H32 Cd2 N6 O8 -","2","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0676","0.047","","","0.1172","0.1208","","","","","","1.088","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209565","8.38","0.0014","20.837","0.004","11.227","0.003","90","","101.346","0.005","90","","1922.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cd N3 O4 -","- C22 H16 Cd N3 O4 -","- C88 H64 Cd4 N12 O16 -","4","1","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71073","MoKα","","0.0749","0.0357","","","0.0634","0.0687","","","","","","0.872","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209566","10.393","0.002","23.046","0.006","28.526","0.005","90","","95.381","0.004","90","","6802","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H30 Cd2 N6 O10 -","- C45 H28 Cd2 N6 O10 -","- C180 H112 Cd8 N24 O40 -","4","0.5","","Liu, Hai-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","A series of Zn(ii) and Cd(ii) coordination polymers based on flexible bis-[(pyridyl)-benzimidazole] ligand and different carboxylates: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","14","2699","","10.1039/c3ce00009e","","","0.71069","MoKα","","0.1699","0.0741","","","0.1722","0.1906","","","","","","1.013","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209567","24.935","0.003","14.5352","0.0015","17.7035","0.0019","90","","131.687","0.002","90","","4791.7","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H44 Cl4 Co2 N12 O2 -","- C53 H44 Cl4 Co2 N12 O2 -","- C212 H176 Cl16 Co8 N48 O8 -","4","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.0709","0.0527","","","0.1319","0.1439","","","","","","1.027","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209568","12.4628","0.0018","10.8337","0.0015","20.597","0.003","90","","105.875","0.003","90","","2674.9","0.7","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C53 H44 Cl6 Cu4 N12 O2 -","- C53 H44 Cl6 Cu4 N12 O2 -","- C106 H88 Cl12 Cu8 N24 O4 -","2","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.1474","0.1288","","","0.2922","0.3017","","","","","","1.129","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209569","10.271","0.004","17.067","0.006","12.28","0.005","90","","91.22","0.009","90","","2152.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H34 Cl2 Cu2 N12 -","- C50 H34 Cl2 Cu2 N12 -","- C100 H68 Cl4 Cu4 N24 -","2","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.1336","0.051","","","0.0973","0.1279","","","","","","0.941","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209570","7.8615","0.0006","10.7668","0.0008","14.0784","0.001","73.473","0.001","84.73","0.002","89.354","0.001","1137.44","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Cl2 N6 Zn -","- C25 H18 Cl2 N6 Zn -","- C50 H36 Cl4 N12 Zn2 -","2","1","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.0385","0.0313","","","0.0895","0.1106","","","","","","1.105","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209571","12.8398","0.0018","5.1086","0.0007","15.192","0.002","90","","105.007","0.003","90","","962.5","0.2","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C25 H18 N6 -","- C25 H18 N6 -","- C50 H36 N12 -","2","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.0555","0.0401","","","0.1053","0.1149","","","","","","1.08","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209572","16.896","0.001","16.503","0.001","27.4254","0.0016","90","","101.07","0.001","90","","7504.9","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H62 Cl6 Cu6 N18 O2 -","- C78 H62 Cl6 Cu6 N18 O2 -","- C312 H248 Cl24 Cu24 N72 O8 -","4","0.5","","Chen, Yanmei; Li, Lei; Cao, Yanyuan; Wu, Jian; Gao, Qian; Li, Yahong; Hu, Hailiang; Liu, Wei; Liu, Yonglu; Kang, Zhenhui; Li, Jingping","CuII-mediated controllable creation of tertiary and quaternary carbon centers: designed assembly and structures of a new class of copper complexes supported by in situ generated substituted 1-pyridineimidazo[1,5-a]pyridine ligands","CrystEngComm","2013","15","14","2675","","10.1039/c3ce00012e","","","0.71073","MoKα","","0.047","0.0344","","","0.0889","0.0967","","","","","","1.027","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209573","8.71","0.004","10.353","0.005","14.973","0.007","107.204","0.01","92.64","0.011","94.681","0.011","1282","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N10 O4 -","- C22 H16 N10 O4 -","- C44 H32 N20 O8 -","2","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.0895","0.0642","","","0.1826","0.1953","","","","","","1.194","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209574","8.366","0.001","9.982","0.001","14.679","0.002","91.465","0.001","97.58","0.003","105.924","0.003","1166","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N10 O3 S -","- C20 H22 N10 O3 S -","- C40 H44 N20 O6 S2 -","2","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.1038","0.0862","","","0.2387","0.2577","","","","","","1.01","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209575","8.9692","0.0018","10.621","0.002","14.453","0.003","83.86","0.03","85.29","0.03","77.44","0.03","1333.7","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N10 O -","- C18 H16 N10 O -","- C36 H32 N20 O2 -","2","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.0823","0.0716","","","0.1759","0.1805","","","","","","1.032","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209576","15.882","0.004","7.619","0.002","17.176","0.004","90","","115.635","0.005","90","","1873.8","0.8","571","2","571","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N10 O2 -","- C18 H18 N10 O2 -","- C72 H72 N40 O8 -","4","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.0824","0.0489","","","0.0981","0.1084","","","","","","0.903","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209577","12.342","0.003","13.853","0.003","14.853","0.003","90","","101.91","0.03","90","","2484.8","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N10 O2 -","- C18 H18 N10 O2 -","- C72 H72 N40 O8 -","4","1","","Anthony, Savarimuthu Philip; Varughese, Sunil","Diaminotriazine substituted diphenyl ether: reversible structural transformation and solvent dependent solid state fluorescence","CrystEngComm","2013","15","20","4117","","10.1039/c3ce00014a","","","0.71073","MoKα","","0.1017","0.0843","","","0.2246","0.2339","","","","","","1.061","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209578","15.3134","0.0003","14.0411","0.0002","16.3451","0.0003","90","","90.219","0.001","90","","3514.45","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H30 Cd2 N4 O9 -","- C35 H30 Cd2 N4 O9 -","- C140 H120 Cd8 N16 O36 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0551","0.045","","","0.2223","0.2457","","","","","","1.081","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209579","20.3025","0.0012","14.0277","0.0003","19.7191","0.0007","90","","120.074","0.005","90","","4859.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H21 Cd N4 O4 -","- C23 H21 Cd N4 O4 -","- C184 H168 Cd8 N32 O32 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0924","0.0823","","","0.2423","0.2654","","","","","","1.086","","","","has coordinates,has disorder","180426","2020-10-21","18:00:00",""
"7209580","13.443","0.0004","13.801","0.0005","18.8121","0.0004","90.97","0.002","104.982","0.002","116.719","0.003","2975.43","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 Cd2 N8 O12.5 -","- C58 H46 Cd2 N8 O12.5 -","- C116 H92 Cd4 N16 O25 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0635","0.0551","","","0.1726","0.1852","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209581","9.7163","0.0004","9.3623","0.0003","18.4041","0.0008","90","","105.392","0.004","90","","1614.12","0.11","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H36 Cd N9 O4 -","- C30 H36 Cd N9 O4 -","- C60 H72 Cd2 N18 O8 -","2","0.5","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0331","0.0287","","","0.0703","0.0738","","","","","","1.028","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209582","29.2901","0.0008","9.4068","0.0003","17.3833","0.0005","90","","124.817","0.003","90","","3932.1","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cd N9 O4 -","- C30 H34 Cd N9 O4 -","- C120 H136 Cd4 N36 O16 -","4","0.5","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0552","0.051","","","0.1458","0.1531","","","","","","1.04","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209583","10.1726","0.0006","11.8494","0.0007","13.6326","0.0008","68.34","0.006","70.388","0.006","68.92","0.005","1385.48","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C23 H20 Br3 Cd Co0 Ho0 N4 O6 -","- C23 H20 Br3 Cd N4 O6 -","- C46 H40 Br6 Cd2 N8 O12 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.0541","0.0499","","","0.1362","0.1422","","","","","","1.016","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209584","19.639","0.003","13.6527","0.001","19.0257","0.0014","90","","119.568","0.007","90","","4436.9","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Br2 Co N4 O4.5 -","- C19 H19 Br2 Co N4 O4.5 -","- C152 H152 Br16 Co8 N32 O36 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lin, Lang; Yu, RongMin; Lu, Can-Zhong","Stoichiometry, temperature, solvent, metal-directed syntheses of metal‒organic frameworks based on flexible V-shaped methylenebis(3,5-dimethylpyrazole) and various aromatic dicarboxylate acids","CrystEngComm","2013","15","18","3654","","10.1039/c3ce00048f","","","1.54184","CuKα","","0.096","0.0646","","","0.1609","0.1786","","","","","","1.034","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209585","9.639","0.004","10.219","0.005","21.866","0.01","90","","90","","90","","2153.8","1.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 N4 O2 Zn -","- C9 H8 N4 O2 Zn -","- C72 H64 N32 O16 Zn8 -","8","1","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.1061","0.0775","","","0.167","0.1818","","","","","","1.281","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209586","12.7","0.003","12.7","0.003","25.364","0.005","90","","90","","90","","4091","1.6","296","2","296","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C12 H10 N8 O5 Zn2 -","- C12 H10 N8 O5 Zn2 -","- C96 H80 N64 O40 Zn16 -","8","0.5","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.0844","0.0585","","","0.1628","0.1833","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209587","10.203","0.006","10.005","0.006","18.287","0.01","90","","90.56","0.008","90","","1866.7","1.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N8 O4 Zn2 -","- C14 H14 N8 O4 Zn2 -","- C56 H56 N32 O16 Zn8 -","4","1","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.0806","0.0655","","","0.1727","0.186","","","","","","0.991","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209588","22.579","0.003","18.542","0.003","13.6018","0.0019","90","","92.614","0.002","90","","5688.6","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N8 O15 Zn4 -","- C22 H18 N8 O15 Zn4 -","- C176 H144 N64 O120 Zn32 -","8","1","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.066","0.0396","","","0.0885","0.1","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209589","7.977","0.0009","16.763","0.002","15.8519","0.0019","90","","100.788","0.002","90","","2082.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N8 O13 Zn3 -","- C14 H12 N8 O13 Zn3 -","- C56 H48 N32 O52 Zn12 -","4","0.5","","Gao, JinYing; Wang, Ning; Xiong, XiaHua; Chen, ChuJun; Xie, WeiPing; Ran, XingRui; Long, Yi; Yue, ShanTang; Liu, YingLiang","Syntheses, structures, and photoluminescent properties of a series of zinc(ii)‒3-amino-1,2,4-triazolate coordination polymers constructed by varying carboxylate anions","CrystEngComm","2013","15","17","3261","","10.1039/c3ce00049d","","","0.71073","MoKα","","0.0866","0.0781","","","0.1936","0.2009","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209590","9.278","0.003","10.106","0.003","12.136","0.003","92.828","0.004","103.413","0.005","111.715","0.006","1016.8","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23.5 Mn N3 O9.75 -","- C16 H22 Mn N3 O9.75 -","- C32 H44 Mn2 N6 O19.5 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.1365","0.0825","","","0.1414","0.1629","","","","","","1.064","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209591","10.1259","0.0011","11.6606","0.0013","13.7407","0.0013","91.41","0.003","94.187","0.003","109.446","0.003","1523.7","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Mn N9 O4 -","- C32 H34 Mn N9 O4 -","- C64 H68 Mn2 N18 O8 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.1147","0.0707","","","0.1514","0.1732","","","","","","1.052","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209592","5.059","0.002","9.54","0.004","11.701","0.005","90.952","0.012","91.597","0.011","100.868","0.014","554.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Mn N6 O4 -","- C24 H24 Mn N6 O4 -","- C24 H24 Mn N6 O4 -","1","0.5","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.7107","MoKα","","0.1064","0.0604","","","0.123","0.1451","","","","","","1.045","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209593","12.2271","0.0006","16.76","0.0007","14.4858","0.0006","90","","94.476","0.004","90","","2959.5","0.2","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Co N6 O5 -","- C30 H28 Co N6 O5 -","- C120 H112 Co4 N24 O20 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71073","MoKα","","0.0702","0.0519","","","0.1465","0.1567","","","","","","1.011","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209594","15.253","0.003","15.285","0.003","18.224","0.003","107.496","0.002","101.147","0.003","112.147","0.002","3519.8","1.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H73 Co4 N12 O28.5 -","- C66 H72 Co4 N12 O28.5 -","- C132 H144 Co8 N24 O57 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.1311","0.0833","","","0.1663","0.1909","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209595","10.1205","0.0005","11.8855","0.0007","13.4846","0.0007","91.532","0.005","92.938","0.004","110.081","0.005","1519.72","0.15","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 N9 Ni O4.5 -","- C32 H34 N9 Ni O4.5 -","- C64 H68 N18 Ni2 O9 -","2","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71073","MoKα","","0.0787","0.0535","","","0.1047","0.116","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209596","10.0375","0.0014","15.2234","0.0018","18.925","0.002","90","","90","","90","","2891.8","0.6","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 Ni O6 -","- C30 H30 N6 Ni O6 -","- C120 H120 N24 Ni4 O24 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71075","MoKα","","0.0781","0.0578","","","0.1321","0.1462","","","","","","1.024","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209597","10.121","0.002","15.235","0.003","19.027","0.004","90","","90","","90","","2933.8","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 N6 Ni O6 -","- C30 H30 N6 Ni O6 -","- C120 H120 N24 Ni4 O24 -","4","1","","Li, Min; Ling, Qian; Yang, Zhi; Li, Bao-Long; Li, Hai-Yan","Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties","CrystEngComm","2013","15","18","3630","","10.1039/c3ce00057e","","","0.71073","MoKα","","0.1451","0.0887","","","0.1835","0.2054","","","","","","1.089","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209598","10.51","0.004","8.418","0.003","14.039","0.005","90","","97.052","0.005","90","","1232.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Co N3 O6 -","- C11 H9 Co N3 O6 -","- C44 H36 Co4 N12 O24 -","4","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","0.71073","MoKα","","0.0656","0.0455","","","0.0983","0.1079","","","","","","1.043","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209599","10.4369","0.0003","8.4152","0.0002","13.908","0.0004","90","","96.836","0.003","90","","1212.84","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 Ni O6 -","- C11 H9 N3 Ni O6 -","- C44 H36 N12 Ni4 O24 -","4","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","1.54184","CuKα","","0.0382","0.0349","","","0.0961","0.0989","","","","","","1.078","","","","has coordinates","180426","2020-10-21","18:00:00",""
"7209600","11.4084","0.0016","11.115","0.0016","8.8184","0.0012","90","","92.036","0.002","90","","1117.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Mn N3 O5 -","- C11 H7 Mn N3 O5 -","- C44 H28 Mn4 N12 O20 -","4","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","0.71073","MoKα","","0.0569","0.049","","","0.1271","0.134","","","","","","1.056","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209601","17.422","0.002","9.824","0.0014","15.803","0.002","90","","105.435","0.002","90","","2607.2","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 O7 Zn -","- C11 H11 N3 O7 Zn -","- C88 H88 N24 O56 Zn8 -","8","1","","Ji, Baoming; Deng, Dongsheng; Ma, Lufang; Li, Hongliang; Fan, Xuesen; Qu, Guirong; Cao, Lei; Zhou, Le","Cobalt(ii), nickel(ii), manganese(ii) and zinc(ii) metal‒organic frameworks constructed with the newly designed 2-(pyridin-4-yl)-4,6-pyrimidine dicarboxylic acid ligand: syntheses, crystal structures and properties","CrystEngComm","2013","15","20","4107","","10.1039/c3ce00068k","","","0.71073","MoKα","","0.0253","0.0221","","","0.0607","0.0629","","","","","","1.011","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209602","20.3883","0.0013","20.3883","0.0013","20.3883","0.0013","54.956","0.004","54.956","0.004","54.956","0.004","5289.3","0.7","298","2","298","2","","","","","","","","5","R -3 m :R","-P 3* 2","166","","","","- C24 H12 Cu2 N2 O12 -","- C24 H12 Cu2 N2 O12 -","- C72 H36 Cu6 N6 O36 -","3","0.25","","Zheng, Baishu; Liu, Heting; Wang, Zhaoxu; Yu, Xianyong; Yi, Pinggui; Bai, Junfeng","Porous NbO-type metal‒organic framework with inserted acylamide groups exhibiting highly selective CO2 capture","CrystEngComm","2013","15","18","3517","","10.1039/c3ce26177h","","","0.71073","MoKα","","0.0578","0.0522","","","0.1537","0.1571","","","","","","1.054","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209603","19.056","0.005","24.415","0.006","15.698","0.004","90","","109.463","0.013","90","","6886","3","150","2","150","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C42 H70 O35 -","- C42 H70 O35 -","- C168 H280 O140 -","4","1","","Ramos, Ana I.; Braga, Teresa M.; Silva, Patrícia; Fernandes, José A.; Ribeiro-Claro, Paulo; Lopes, Maria de Fátima Silva; Paz, Filipe A. Almeida; Braga, Susana S.","Chloramphenicol·cyclodextrin inclusion compounds: co-dissolution and mechanochemical preparations and antibacterial action","CrystEngComm","2013","15","15","2822","","10.1039/c3ce26414a","","","0.71073","MoKα","","0.2548","0.1366","","","0.3486","0.3942","","","","","","0.918","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209604","8.057","0.003","15.966","0.006","3.447","0.0016","90","","100.06","0.03","90","","436.6","0.3","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd5 F O9 -","- B3 Cd5 F O9 -","- B6 Cd10 F2 O18 -","2","0.5","","Zou, Guohong; Zhang, Liyuan; Ye, Ning","Synthesis, structure, and characterization of a new promising nonlinear optical crystal: Cd5(BO3)3F","CrystEngComm","2013","15","13","2422","","10.1039/c3ce26506d","","","0.71073","MoKα","","0.0359","0.0346","","","0.0736","0.0742","","","","","","1.172","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209605","6.9513","0.001","8.9349","0.0013","17.922","0.002","83.047","0.002","84.916","0.002","79.039","0.002","1082.3","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H30 Br4 F8 -","- C54 H30 Br4 F8 -","- C54 H30 Br4 F8 -","1","0.5","","Pang, Xue; Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","Co-crystallization turned on the phosphorescence of phenanthrene by C‒Br⋯π halogen bonding, π‒hole⋯π bonding and other assisting interactions","CrystEngComm","2013","15","14","2722","","10.1039/c3ce26661c","","","0.71073","MoKα","","0.0428","0.0307","","","0.0667","0.071","","","","","","1.028","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209606","10.6086","0.0007","21.0572","0.0007","11.4521","0.0007","90","","112.68","0.002","90","","2360.4","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","m-ClPhO-BsubPc","(3-Chlorophenolato)(subphthalocyaninato)boron","","- C30 H16 B Cl N6 O -","- C30 H16 B Cl N6 O -","- C120 H64 B4 Cl4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1475","0.0609","","","0.1242","0.1591","","","","","","1.026","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209607","10.6874","0.0003","21.2084","0.0005","11.4373","0.0003","90","","113.079","0.0013","90","","2384.93","0.11","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","m-BrPhO-BsubPc","(3-Bromophenolato)(subphthalocyaninato)boron","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C120 H64 B4 Br4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0983","0.0472","","","0.094","0.1113","","","","","","1.032","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209608","20.58","0.0004","17.0942","0.0004","16.7268","0.0004","90","","109.811","0.001","90","","5536.2","0.2","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(3-Iodophenolato)(subphthalocyaninato)boron","(3-Iodophenolato)(subphthalocyaninato)boron","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C240 H128 B8 I8 N48 O8 -","8","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0416","0.0292","","","0.0663","0.0694","","","","","","1.023","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209609","10.8999","0.0004","21.4167","0.0006","11.4529","0.0004","90","","114.267","0.0015","90","","2437.33","0.14","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(3-Iodophenolato)(subphthalocyaninato)boron","(3-Iodophenolato)(subphthalocyaninato)boron","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C120 H64 B4 I4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1224","0.0572","","","0.1365","0.1769","","","","","","1.043","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209610","10.1276","0.0003","10.835","0.0003","11.8593","0.0004","86.4627","0.0015","77.0822","0.0013","64.904","0.0015","1147.87","0.06","150","1","150","1","","","","","","","","6","P -1","-P 1","2","o-FPhO-BsubPc","(2-Fluorophenolato)(subphthalocyaninato)boron","","- C30 H16 B F N6 O -","- C30 H16 B F N6 O -","- C60 H32 B2 F2 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0897","0.0557","","","0.1396","0.1637","","","","","","1.046","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209611","8.088","0.0002","42.9323","0.0014","13.7269","0.0004","90","","99.379","0.0015","90","","4702.8","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","o-ClPhO-BsubPc","(2-Chlorophenolato)(subphthalocyaninato)boron","","- C30 H16 B Cl N6 O -","- C30 H16 B Cl N6 O -","- C240 H128 B8 Cl8 N48 O8 -","8","2","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.116","0.0609","","","0.1396","0.1708","","","","","","1.03","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209612","10.8223","0.0005","20.6856","0.0011","11.5946","0.0004","90","","112.325","0.003","90","","2401.1","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","o-BrPhO-BsubPc","(2-Bromophenolato)(subphthalocyaninato)boron","","- C30 H16 B Br N6 O -","- C30 H16 B Br N6 O -","- C120 H64 B4 Br4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1398","0.0865","","","0.2227","0.2668","","","","","","1.027","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209613","10.1641","0.0003","13.89","0.0004","19.3994","0.0006","90","","97.604","0.0016","90","","2714.71","0.14","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2-Iodophenolato)(subphthalocyaninato)boron","(2-Iodophenolato)(subphthalocyaninato)boron","","- C33 H19 B I N6 O -","- C33 H19 B I N6 O -","- C132 H76 B4 I4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.084","0.0479","","","0.1127","0.1317","","","","","","1.049","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209614","11.0324","0.0005","20.5587","0.0008","11.6778","0.0006","90","","112.71","0.002","90","","2443.3","0.2","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(2-Iodophenolato)(subphthalocyaninato)boron","(2-Iodophenolato)(subphthalocyaninato)boron","","- C30 H16 B I N6 O -","- C30 H16 B I N6 O -","- C120 H64 B4 I4 N24 O4 -","4","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1609","0.0914","","","0.2426","0.3026","","","","","","1.021","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209615","8.5099","0.0003","12.5191","0.0004","13.8756","0.0006","107.637","0.002","100.015","0.002","99.28","0.003","1350.77","0.09","150","1","150","1","","","","","","","","6","P -1","-P 1","2","Cl5-BsubPc","(Pentachlorophenolato)(subphthalocyaninato)boron","","- C30 H12 B Cl5 N6 O -","- C30 H12 B Cl5 N6 O -","- C60 H24 B2 Cl10 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.1322","0.0624","","","0.1477","0.1882","","","","","","1.02","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209616","11.0395","0.0003","11.7114","0.0004","13.16","0.0004","115.177","0.0018","94.94","0.0019","93.673","0.0017","1524.47","0.08","150","1","150","1","","","","","","","","6","P -1","-P 1","2","(Pentabromophenolato)(subphthalocyaninato)boron","(Pentabromophenolato)(subphthalocyaninato)boron","","- C33 H15 B Br5 N6 O -","- C33 H15 B Br5 N6 O -","- C66 H30 B2 Br10 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0632","0.0439","","","0.1036","0.1132","","","","","","1.009","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209617","8.4976","0.0003","12.9454","0.0004","13.965","0.0005","107.243","0.0018","97.553","0.002","101.703","0.002","1406.21","0.09","150","1","150","1","","","","","","","","6","P -1","-P 1","2","(Pentabromophenolato)(subphthalocyaninato)boron","(Pentabromophenolato)(subphthalocyaninato)boron","","- C30 H12 B Br5 N6 O -","- C30 H12 B Br5 N6 O -","- C60 H24 B2 Br10 N12 O2 -","2","1","","Virdo, Jessica D.; Kawar, Yazan H.; Lough, Alan J.; Bender, Timothy P.","Halogen bonds can direct the solid state arrangement of phenoxy‒boron subphthalocyanines","CrystEngComm","2013","15","16","3187","","10.1039/c3ce26711c","","","0.71073","MoKα","","0.0984","0.0656","","","0.1717","0.1901","","","","","","1.047","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209618","26.1217","0.001","20.3172","0.0006","21.5286","0.0005","90","","90.214","0.003","90","","11425.6","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H72 Ge5 N12 O30 V6 -","- C24 H48 Ge5 N12 O30 V6 -","- C192 H384 Ge40 N96 O240 V48 -","8","1","","You, Li-Sheng; Zhu, Qin-Yu; Zhang, Xiang; Pu, Ya-Yang; Bian, Guo-Qing; Dai, Jie","A new type of germanium‒vanadate cluster, [Ge5V6O21(heda)6] (Hheda = N-(2-hydroxyethyl)ethylenediamine)","CrystEngComm","2013","15","13","2411","","10.1039/c3ce26726a","","","0.71073","MoKα","","0.1205","0.0686","","","0.1644","0.1976","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209619","14.4599","0.0002","14.9417","0.0002","15.0638","0.0002","90","","117.683","0.001","90","","2882.07","0.07","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 Cl F4 I2 P -","- C22 H36 Cl F4 I2 P -","- C88 H144 Cl4 F16 I8 P4 -","4","1","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.0269","0.0209","","","0.0492","0.0537","","","","","","1.027","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209620","48.3095","0.001","8.7022","0.0002","13.6477","0.0003","90","","90","","90","","5737.5","0.2","200","2","200","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C22 H36 Br F4 I2 N -","- C22 H36 Br F4 I2 N -","- C176 H288 Br8 F32 I16 N8 -","8","1","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.074","0.0667","","","0.1845","0.1889","","","","","","1.123","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209621","49.7447","0.001","8.4785","0.0002","14.1541","0.0003","90","","104.119","0.001","90","","5789.3","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 Br2 F8 I4 P2 -","- C44 H72 Br2 F8 I4 P2 -","- C176 H288 Br8 F32 I16 P8 -","4","0.5","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.057","0.0429","","","0.1057","0.1136","","","","","","1.002","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209622","10.8351","0.0003","11.8074","0.0003","17.0179","0.0004","90","","92.343","0.001","90","","2175.35","0.1","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 Br F2 I P -","- C23 H20 Br F2 I P -","- C92 H80 Br4 F8 I4 P4 -","4","1","","Viger-Gravel, Jasmine; Leclerc, Sophie; Korobkov, Ilia; Bryce, David L.","Correlation between 13C chemical shifts and the halogen bonding environment in a series of solid para-diiodotetrafluorobenzene complexes","CrystEngComm","2013","15","16","3168","","10.1039/c3ce26750d","","","0.71073","MoKα","","0.019","0.0167","","","0.0452","0.0464","","","","","","1.045","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209623","8.687","0.0017","8.9","0.0018","13.039","0.003","104.06","0.03","97.67","0.03","105.15","0.03","922.8","0.4","293","2","293","2","","","","","","","Synthesis","5","P -1","-P 1","2","","","","- C19 H16 Cl N O6 -","- C19 H16 Cl N O6 -","- C38 H32 Cl2 N2 O12 -","2","1","","Briceño, Alexander; Leal, Dayana; Ortega, Gabriela; Delgado, Graciela Díaz de; Ocando, Edgar; Cubillan, Liz","Self-assembly, concomitant photochemical processes, and improvement of the yield of [2 + 2] photoreactions from supramolecular arrays via mechanochemical assistance","CrystEngComm","2013","15","15","2795","","10.1039/c3ce26752k","","","0.71073","MoKα","","0.1409","0.0957","","","0.1819","0.209","","","","","","1.12","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209624","3.88","0.003","10.058","0.006","12.438","0.009","76.64","0.03","88.3","0.04","82.26","0.04","468","0.6","293","2","293","2","","","","","","","Synthesis","4","P -1","-P 1","2","","","","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","- C20 H18 N2 O8 -","1","0.5","","Briceño, Alexander; Leal, Dayana; Ortega, Gabriela; Delgado, Graciela Díaz de; Ocando, Edgar; Cubillan, Liz","Self-assembly, concomitant photochemical processes, and improvement of the yield of [2 + 2] photoreactions from supramolecular arrays via mechanochemical assistance","CrystEngComm","2013","15","15","2795","","10.1039/c3ce26752k","","","0.71073","MoKα","","0.0715","0.0499","","","0.1241","0.1397","","","","","","1.015","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209625","7.969","0.0001","10.1122","0.0001","17.9406","0.0003","92.936","0.001","94.163","0.001","106.062","0.001","1381.78","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethamine+carbamazepine+methanol","","- C29 H33 Cl N6 O3 -","- C29 H33 Cl N6 O3 -","- C58 H66 Cl2 N12 O6 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0856","0.0544","","","0.1253","0.1415","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209626","7.9789","0.0004","10.3092","0.0005","13.6586","0.0007","68.186","0.003","87.884","0.002","75.726","0.003","1008.98","0.09","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethamine+theophylline","","- C19 H21 Cl N8 O2 -","- C19 H21 Cl N8 O2 -","- C38 H42 Cl2 N16 O4 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0771","0.0543","","","0.1318","0.1472","","","","","","1.037","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209627","6.904","0.0001","7.5866","0.0001","21.2823","0.0003","85.364","0.001","81.052","0.001","79.007","0.001","1079.44","0.03","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","Pyrimethaminium+saccharinate+methanol","","- C20 H22 Cl N5 O4 S -","- C20 H22 Cl N5 O4 S -","- C40 H44 Cl2 N10 O8 S2 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0506","0.0388","","","0.0936","0.1009","","","","","","1.031","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209628","7.8393","0.0002","11.0472","0.0003","12.106","0.0004","82.881","0.002","71.67","0.002","69.719","0.002","933.38","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethaminium+alpha-ketoglutarate","","- C17 H19 Cl N4 O5 -","- C17 H19 Cl N4 O5 -","- C34 H38 Cl2 N8 O10 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0585","0.0409","","","0.1008","0.111","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209629","10.0012","0.0003","11.5494","0.0004","11.7171","0.0004","107.432","0.002","106.355","0.002","99.557","0.002","1191.77","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethaminium+aspirinate+acetonitrile","","- C23 H24 Cl N5 O4 -","- C23 H24 Cl N5 O4 -","- C46 H48 Cl2 N10 O8 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0856","0.0471","","","0.124","0.1386","","","","","","1.014","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209630","7.6086","0.0001","9.945","0.0002","14.6138","0.0003","80.963","0.001","87.224","0.001","72.816","0.001","1043.31","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","Pyrimethaminium+p-coumarate+water","","- C21 H23 Cl N4 O4 -","- C21 H23 Cl N4 O4 -","- C42 H46 Cl2 N8 O8 -","2","1","","Delori, Amit; Galek, Peter T. A.; Pidcock, Elna; Patni, Mohit; Jones, William","Knowledge-based hydrogen bond prediction and the synthesis of salts and cocrystals of the anti-malarial drug pyrimethamine with various drug and GRAS molecules","CrystEngComm","2013","15","15","2916","","10.1039/c3ce26765b","","","0.71073","MoKα","","0.0551","0.0383","","","0.1106","0.1153","","","","","","1.038","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209631","10.194","0.0013","13.2638","0.0017","12.8106","0.0016","90","","106.048","0.002","90","","1664.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Gd N O9 -","- C12 H21 Gd N O9 -","- C48 H84 Gd4 N4 O36 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0634","0.0588","","","0.1146","0.1163","","","","","","1.256","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209632","10.287","0.0007","13.2402","0.0009","12.8956","0.0009","90","","106.596","0.001","90","","1683.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 N O9 Tb -","- C12 H21 N O9 Tb -","- C48 H84 N4 O36 Tb4 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0457","0.0399","","","0.0765","0.0781","","","","","","1.216","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209633","10.2267","0.0008","13.2034","0.0011","12.8125","0.0011","90","","106.391","0.0016","90","","1659.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H22 Dy N O9 -","- C12 H22 Dy N O9 -","- C48 H88 Dy4 N4 O36 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.056","0.0416","","","0.0862","0.0916","","","","","","1.088","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209634","10.2606","0.0005","13.2388","0.0007","12.8502","0.0007","90","","106.629","0.001","90","","1672.54","0.15","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Ho2 N2 O18 -","- C24 H42 Ho2 N2 O18 -","- C48 H84 Ho4 N4 O36 -","2","0.5","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0433","0.0347","","","0.0975","0.115","","","","","","1.288","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209635","10.2427","0.0004","13.2007","0.0004","12.8252","0.0005","90","","106.646","0.002","90","","1661.43","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Er2 N2 O18 -","- C24 H42 Er2 N2 O18 -","- C48 H84 Er4 N4 O36 -","2","0.5","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0412","0.0369","","","0.0765","0.0788","","","","","","0.884","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209636","8.2558","0.0017","10.82","0.002","14.719","0.003","90","","90","","90","","1314.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 O6 Tb -","- C11 H15 O6 Tb -","- C44 H60 O24 Tb4 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.027","0.0246","","","0.0597","0.061","","","","","","1.082","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209637","8.1149","0.0016","10.823","0.002","14.712","0.003","90","","90","","90","","1292.1","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Er O6 -","- C11 H15 Er O6 -","- C44 H60 Er4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.041","0.0377","","","0.0939","0.096","","","","","","1.049","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209638","8.1597","0.0016","10.818","0.002","14.716","0.003","90","","90","","90","","1299","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Ho O6 -","- C11 H15 Ho O6 -","- C44 H60 Ho4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","0.71073","MoKα","","0.0337","0.0302","","","0.07","0.072","","","","","","1.069","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209639","8.1878","0.0008","10.8856","0.0011","14.7371","0.0015","90","","90","","90","","1313.5","0.2","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Dy O6 -","- C11 H15 Dy O6 -","- C44 H60 Dy4 O24 -","4","1","","Jhu, Zih-Rong; Yang, Chen-I; Lee, Gene-Hsiang","Two new series of rare-earth organic frameworks involving two structural architectures: syntheses, structures and magnetic properties","CrystEngComm","2013","15","13","2456","","10.1039/c3ce26766k","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209640","10.7549","0.0019","12.012","0.002","7.6348","0.0014","90","","109.318","0.002","90","","930.8","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H2 Cd O5 -","- C9 H8 Cd O5 -","- C36 H32 Cd4 O20 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0168","0.0156","","","0.039","0.0399","","","","","","1.058","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209641","8.3518","0.0014","15.361","0.003","16.038","0.003","90","","100.053","0.002","90","","2026","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cd N2 O4 -","- C22 H20 Cd N2 O4 -","- C88 H80 Cd4 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0415","0.0276","","","0.0454","0.0481","","","","","","1.052","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209642","8.8542","0.0011","10.5788","0.0013","10.917","0.0013","108.08","0.001","92.099","0.001","92.315","0.001","970","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Cd N2 O4 -","- C21 H16 Cd N2 O4 -","- C42 H32 Cd2 N4 O8 -","2","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0249","0.0234","","","0.0575","0.0588","","","","","","1.053","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209643","10.095","0.002","15.929","0.003","14.236","0.003","90","","106.156","0.002","90","","2198.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H42 Cd3 N4 O12 -","- C46 H42 Cd3 N4 O12 -","- C92 H84 Cd6 N8 O24 -","2","0.5","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0479","0.0345","","","0.0804","0.0884","","","","","","1.034","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209644","10.198","0.002","22.367","0.005","13.285","0.003","90","","97.775","0.003","90","","3002.4","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H31 Cd3 N9 O14 -","- C17 H31 Cd3 N9 O14 -","- C68 H124 Cd12 N36 O56 -","4","1","","Liu, Guang-Zhen; Li, Xiao-Dong; Li, Xiao-Ling; Wang, Li-Ya","Structural and fluorescent regulation of Cd(ii) coordination polymers with homoterephthalate by N-donor second ligands","CrystEngComm","2013","15","13","2428","","10.1039/c3ce26781d","","","0.71073","MoKα","","0.0637","0.0542","","","0.1587","0.1672","","","","","","1.077","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209645","4.933","0.0003","8.4214","0.0005","12.3642","0.0008","100.542","0.005","82.986","0.005","97.144","0.005","498.45","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PIDA cocrystal with oxalamide host","","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","1","0.5","","Jin, Hongjian; Plonka, Anna M.; Parise, John B.; Goroff, Nancy S.","Pressure induced topochemical polymerization of diiodobutadiyne: a single-crystal-to-single-crystal transformation","CrystEngComm","2013","15","16","3106","","10.1039/c3ce26851a","","","0.71073","MoKα","","0.1125","0.0673","","","0.1787","0.2064","","","","","","1.05","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209646","11.4581","0.0004","11.6819","0.0004","11.8696","0.0006","64.132","0.004","81.202","0.004","72.663","0.003","1364.15","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H53 N14 O18.5 Zn3 -","- C48 H32 N14 O18.5 Zn3 -","- C48 H32 N14 O18.5 Zn3 -","1","0.5","","Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng","Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties","CrystEngComm","2013","15","14","2682","","10.1039/c3ce26854c","","","0.71073","MoKα","","0.0695","0.0609","","","0.155","0.1622","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209647","39.4912","0.0015","23.7984","0.0012","8.9131","0.0003","90","","90","","90","","8376.8","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H30 N16 O13 Zn3 -","- C33 H22 N16 O13 Zn3 -","- C264 H176 N128 O104 Zn24 -","8","1","","Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng","Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties","CrystEngComm","2013","15","14","2682","","10.1039/c3ce26854c","","","0.71073","MoKα","","0.1318","0.0749","","","0.1412","0.167","","","","","","1.043","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209648","7.9992","0.0004","7.6259","0.0003","20.6651","0.001","90","","97.391","0.004","90","","1250.12","0.1","121.2","","121.2","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C12 H8 Cd2 K3 N9 O16 -","- C12 H8 Cd2 K3 N9 O16 -","- C24 H16 Cd4 K6 N18 O32 -","2","0.5","","Zou, Ji-Yong; Gao, Hong-Ling; Shi, Wei; Cui, Jian-Zhong; Cheng, Peng","Auxiliary ligand-assisted structural diversities of three metal‒organic frameworks with potassium 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, crystal structures and luminescence properties","CrystEngComm","2013","15","14","2682","","10.1039/c3ce26854c","","","0.71073","MoKα","","0.0422","0.0404","","","0.1162","0.1183","","","","","","1.045","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209649","5.2649","0.0011","8.6837","0.0017","10.192","0.002","105.83","0.03","96.18","0.03","101.4","0.03","432.95","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F4 N2 O6 -","- C18 H12 F4 N2 O6 -","- C18 H12 F4 N2 O6 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.1018","0.0597","","","0.1803","0.242","","","","","","1.088","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209650","8.781","0.005","10.066","0.007","10.289","0.006","99.273","0.01","107.452","0.009","110.288","0.009","777.2","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 F8 N4 O8 -","- C30 H24 F8 N4 O8 -","- C30 H24 F8 N4 O8 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0968","0.0467","","","0.111","0.1581","","","","","","1.048","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209651","7.0147","0.0014","7.5439","0.0015","12.6","0.003","76.07","0.03","81.7","0.03","88.92","0.03","640.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H14 F8 N6 O8 -","- C24 H14 F8 N6 O8 -","- C24 H14 F8 N6 O8 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0687","0.0608","","","0.18","0.1904","","","","","","1.069","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209652","8.319","0.003","10.152","0.004","10.642","0.003","87.5","0.006","73.992","0.004","69.092","0.006","805.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 F4 N2 O4 -","- C18 H10 F4 N2 O4 -","- C36 H20 F8 N4 O8 -","2","1","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0699","0.0473","","","0.1238","0.1436","","","","","","1.061","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209653","10.041","0.002","6.8049","0.0014","13.405","0.003","90","","100.97","0.03","90","","899.2","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C20 H10 F4 N4 O5 -","- C20 H10 F4 N4 O5 -","- C40 H20 F8 N8 O10 -","2","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0382","0.0356","","","0.0997","0.1011","","","","","","1.087","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209654","7.9033","0.0016","7.9444","0.0016","13.749","0.003","99.65","0.03","96.63","0.03","91.26","0.03","844.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H20 F8 N4 O8 -","- C40 H20 F8 N4 O8 -","- C40 H20 F8 N4 O8 -","1","0.5","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0702","0.0604","","","0.2249","0.2335","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209655","7.8627","0.0016","9.6759","0.0019","13.503","0.003","79.34","0.03","81.08","0.03","66.64","0.03","923","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 F4 N2 O5 -","- C20 H12 F4 N2 O5 -","- C40 H24 F8 N4 O10 -","2","1","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0699","0.0475","","","0.1461","0.1883","","","","","","1.064","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209656","9.7141","0.0019","7.23","0.0014","17.407","0.004","90","","90","","90","","1222.5","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H6 F4 N2 O4 -","- C11 H6 F4 N2 O4 -","- C44 H24 F16 N8 O16 -","4","1","","Wang, Lei; Zhao, Lei; Hu, Yanjing; Wang, Wenqiang; Chen, Ruixin; Yang, Yu","A cooperation molecular recognition study: syntheses and analysis of supramolecular assemblies of tetrafluoroterephthalic acid with some aza compounds","CrystEngComm","2013","15","15","2835","","10.1039/c3ce26865a","","","0.71073","MoKα","","0.0354","0.0345","","","0.0871","0.0882","","","","","","1.066","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209657","5.0356","0.0003","9.3352","0.0006","31.222","0.002","90","","93.442","0.003","90","","1465.05","0.16","150","2","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","carbamazepine hemikis(fumaric acid)","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Rahim, Syarifah Abd; Hammond, Robert B.; Sheikh, Ahmad Y.; Roberts, Kevin J.","A comparative assessment of the influence of different crystallization screening methodologies on the solid forms of carbamazepine co-crystals","CrystEngComm","2013","15","19","3862","","10.1039/c3ce26878k","","","0.71073","MoKα","","0.0501","0.0361","","","0.084","0.0944","","","","","","1.068","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209658","22.6172","0.0006","10.9922","0.0003","17.0958","0.0005","90","","118.375","0.001","90","","3739.59","0.18","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cu I2 N O5 -","- C17 H14 Cu I2 N O5 -","- C136 H112 Cu8 I16 N8 O40 -","8","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0853","0.0561","","","0.1427","0.1554","","","","","","1.076","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209659","10.445","0.0011","10.5713","0.0011","12.0695","0.0012","64.728","0.006","82.156","0.007","67.008","0.006","1108.7","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H32 Cu2 I4 N4 O8 -","- C40 H32 Cu2 I4 N4 O8 -","- C40 H32 Cu2 I4 N4 O8 -","1","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0457","0.0341","","","0.1038","0.1125","","","","","","0.82","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209660","11.2066","0.0003","17.1224","0.0004","12.7046","0.0003","90","","96.758","0.002","90","","2420.87","0.1","120","","120","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Cl4 Cu2 I4 N4 O8 -","- C42 H28 Cl4 Cu2 I4 N4 O8 -","- C84 H56 Cl8 Cu4 I8 N8 O16 -","2","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0328","0.0268","","","0.061","0.0631","","","","","","1.055","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209661","9.765","0.0009","9.9384","0.0008","11.6831","0.001","73.381","0.005","80.448","0.005","84.369","0.005","1069.86","0.16","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 Cu2 I4 N4 O8 -","- C40 H24 Cu2 I4 N4 O8 -","- C40 H24 Cu2 I4 N4 O8 -","1","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0509","0.0394","","","0.0995","0.1047","","","","","","1.026","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209662","41.924","0.007","8.2952","0.0014","22.541","0.004","90","","90.592","0.003","90","","7839","2","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cu2 I4 O12 -","- C32 H32 Cu2 I4 O12 -","- C256 H256 Cu16 I32 O96 -","8","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0865","0.0448","","","0.0864","0.0991","","","","","","0.999","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209663","19.847","0.0009","14.0302","0.0006","12.2535","0.0005","90","","116.97","0.002","90","","3041","0.2","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Cl2 Cu I2 N4 O6 -","- C27 H22 Cl2 Cu I2 N4 O6 -","- C108 H88 Cl8 Cu4 I8 N16 O24 -","4","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0381","0.0341","","","0.0909","0.0932","","","","","","1.089","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209664","14.5424","0.0003","16.5333","0.0004","18.3008","0.0003","90","","98.676","0.001","90","","4349.78","0.16","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 Cu2 I4 N4 O10 -","- C40 H28 Cu2 I4 N4 O10 -","- C160 H112 Cu8 I16 N16 O40 -","4","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Brammer, Lee","Coordination chemistry meets halogen bonding and hydrogen bonding: building networks from 3-iodobenzoate paddlewheel units [Cu2(3-Ibz)4(L)2]","CrystEngComm","2013","15","16","3151","","10.1039/c3ce26890j","","","0.71073","MoKα","","0.0465","0.0367","","","0.0853","0.0903","","","","","","1.053","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209665","11.175","0.002","11.499","0.002","22.243","0.004","83.95","0.03","83.06","0.03","76.05","0.03","2745","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Cd3 N10 O18 -","- C48 H38 Cd3 N10 O18 -","- C96 H76 Cd6 N20 O36 -","2","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.1225","0.1036","","","0.2605","0.2745","","","","","","1.002","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209666","9.985","0.002","10.44","0.002","11.511","0.002","93.48","0.03","97.29","0.03","100.15","0.03","1167.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cd N5 O6 -","- C24 H15 Cd N5 O6 -","- C48 H30 Cd2 N10 O12 -","2","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.0358","0.0318","","","0.0904","0.0923","","","","","","1.076","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209667","14.495","0.003","16.313","0.003","19.838","0.004","90","","107.07","0.03","90","","4484.2","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H70 Cd4 N20 O25 -","- C80 H70 Cd4 N20 O25 -","- C160 H140 Cd8 N40 O50 -","2","0.5","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.0899","0.0671","","","0.1539","0.1631","","","","","","1.181","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209668","9.5869","0.0005","9.7706","0.0006","13.3468","0.0006","75.481","0.004","81.145","0.004","63.89","0.005","1085.39","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Cd N5 O7 -","- C20 H19 Cd N5 O7 -","- C40 H38 Cd2 N10 O14 -","2","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.0372","0.0313","","","0.0763","0.0807","","","","","","1.037","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209669","16.931","0.003","9.908","0.002","21.471","0.004","90","","108.61","0.03","90","","3413.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cd N10 O9 -","- C32 H32 Cd N10 O9 -","- C128 H128 Cd4 N40 O36 -","4","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.1039","0.0685","","","0.1417","0.1594","","","","","","0.984","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209670","7.041","0.0014","23.337","0.005","13.814","0.004","90","","116.54","0.02","90","","2030.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Cd N5 O6 -","- C20 H16 Cd N5 O6 -","- C80 H64 Cd4 N20 O24 -","4","1","","Huang, Fu-Ping; Yang, Zu-Mei; Yao, Peng-Fei; Yu, Qing; Tian, Jin-Lei; Bian, He-Dong; Yan, Shi-Ping; Liao, Dai-Zheng; Cheng, Peng","Coordination assemblies of the CdII‒BDC/bpt mixed-ligand system: positional isomeric effect, structural diversification and luminescent properties","CrystEngComm","2013","15","14","2657","","10.1039/c3ce26905a","","","0.71073","MoKα","","0.1529","0.126","","","0.2899","0.3007","","","","","","1.282","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209671","13.627","0.004","13.627","0.004","36.416","0.012","90","","90","","90","","6762","4","296","2","296","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C60 H56 N10 O17 -","- C60 H56 N10 O17 -","- C240 H224 N40 O68 -","4","0.5","","Konar, Anita Dutt","Can a single pyridinedicarboxylic acid be ample enough to nucleate supramolecular double helices in enantiomeric pseudopeptides?","CrystEngComm","2013","15","13","2466","","10.1039/c3ce26912d","","","0.71073","MoKα","","0.1765","0.0917","","","0.2331","0.2713","","","","","","0.931","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209672","13.5368","0.0006","13.5368","0.0006","36.4665","0.0015","90","","90","","90","","6682.3","0.5","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C62 H58 N10 O17 -","- C62 H58 N10 O17 -","- C248 H232 N40 O68 -","4","0.5","","Konar, Anita Dutt","Can a single pyridinedicarboxylic acid be ample enough to nucleate supramolecular double helices in enantiomeric pseudopeptides?","CrystEngComm","2013","15","13","2466","","10.1039/c3ce26912d","","","0.71073","MoKα","","0.0891","0.0717","","","0.2208","0.2361","","","","","","1.104","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209673","6.6678","0.0005","11.953","0.0009","12.7015","0.001","93.451","0.004","103.761","0.004","102.981","0.004","951.2","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Cu2 I4 O10 -","- C34 H28 Cu2 I4 O10 -","- C34 H28 Cu2 I4 O10 -","1","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0431","0.0302","","","0.0621","0.0661","","","","","","1.027","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209674","6.5847","0.0005","15.8533","0.0013","18.2578","0.0015","92.436","0.006","90.283","0.006","93.469","0.006","1900.7","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 S2 -","- C32 H28 Cu2 I4 O10 S2 -","- C64 H56 Cu4 I8 O20 S4 -","2","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0853","0.0512","","","0.119","0.13","","","","","","1.06","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209675","12.196","0.002","13.011","0.002","13.015","0.002","74.517","0.007","68.073","0.007","87.38","0.008","1843","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cu2 I4 O10 -","- C32 H28 Cu2 I4 O10 -","- C64 H56 Cu4 I8 O20 -","2","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0688","0.0411","","","0.0976","0.1093","","","","","","1.058","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209676","12.997","0.003","12.621","0.003","16.88","0.003","90","","96.15","0.03","90","","2753","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 Cu2 I4 N6 O14 -","- C46 H58 Cu2 I4 N6 O14 -","- C92 H116 Cu4 I8 N12 O28 -","2","0.5","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.0526","0.0429","","","0.1107","0.1149","","","","","","1.031","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209677","13.4825","0.0004","13.4825","0.0004","9.8363","0.0003","90","","90","","90","","1788.02","0.09","100","","100","","","","","","","","","6","I 4/m","-I 4","87","","","","- C36 H32 Cu2 I4 N2 O8 -","- C36 H32 Cu2 I4 N2 O8 -","- C72 H64 Cu4 I8 N4 O16 -","2","0.125","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.12","0.0858","","","0.2484","0.2747","","","","","","1.052","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209678","15.23","0.003","22.664","0.005","27.692","0.005","90","","102.821","0.01","90","","9320","3","150.15","","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 Cu2 I4 N2 O8 -","- C38 H24 Cu2 I4 N2 O8 -","- C304 H192 Cu16 I32 N16 O64 -","8","2","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.31","0.1425","","","0.3537","0.4112","","","","","","0.906","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209679","8.2079","0.0019","16.029","0.004","24.699","0.006","102.764","0.017","98.004","0.016","101.353","0.014","3049.9","1.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H56 Cu2 I4 N4 O10 -","- C66 H56 Cu2 I4 N4 O10 -","- C132 H112 Cu4 I8 N8 O20 -","2","1","","Smart, Paul; Bejarano-Villafuerte, Ángela; Hendry, Rebecca M.; Brammer, Lee","Persistent C‒I⋯π halogen-bonded layer motifs involving 4-iodobenzoate paddlewheel units, Cu2(4-Ibz)4(L)2","CrystEngComm","2013","15","16","3160","","10.1039/c3ce26919a","","","0.71073","MoKα","","0.231","0.108","","","0.2654","0.3417","","","","","","1.03","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209680","8.4221","0.0012","9.3371","0.0014","14.325","0.002","84.824","0.004","76.353","0.004","84.257","0.005","1086.6","0.3","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N4 O7 Zn -","- C21 H22 N4 O7 Zn -","- C42 H44 N8 O14 Zn2 -","2","1","","Meng, Qing-hong; Zhou, Pei; Song, Fang; Wang, Yue-bing; Liu, Gui-lei; Li, Hui","Controlled fluorescent properties of Zn(ii) salen-type complex based on ligand design","CrystEngComm","2013","15","15","2786","","10.1039/c3ce26935c","","","0.71073","MoKα","","0.0436","0.0375","","","0.08","0.0833","","","","","","1.049","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209681","11.95","0.002","7.6626","0.0015","17.867","0.004","90","","105.24","0.03","90","","1578.5","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N4 O5 Zn -","- C18 H12 N4 O5 Zn -","- C72 H48 N16 O20 Zn4 -","4","1","","Meng, Qing-hong; Zhou, Pei; Song, Fang; Wang, Yue-bing; Liu, Gui-lei; Li, Hui","Controlled fluorescent properties of Zn(ii) salen-type complex based on ligand design","CrystEngComm","2013","15","15","2786","","10.1039/c3ce26935c","","","0.71073","MoKα","","0.0597","0.0401","","","0.0896","0.1068","","","","","","1.088","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209682","9.4123","0.0016","9.4994","0.0007","13.1602","0.0018","74.96","0.02","83.55","0.03","82.9","0.03","1123.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 N4 O7 Zn -","- C18 H24 N4 O7 Zn -","- C36 H48 N8 O14 Zn2 -","2","1","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0631","0.0526","","","0.148","0.1613","","","","","","1.079","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209683","9.413","0.005","18.542","0.009","15.016","0.008","90","","100.205","0.008","90","","2579","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H30 Cl2 N4 O14 Zn -","- C14 H18 Cl2.003 N4 O14 Zn -","- C56 H72 Cl8.012 N16 O56 Zn4 -","4","1","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0894","0.0778","","","0.2472","0.2639","","","","","","1.074","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209684","17.083","0.012","22.908","0.016","23.481","0.015","90","","90","","90","","9189","11","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H22 N6 O2 S2 Zn -","- C16 H18 N6 O2 S2 Zn -","- C256 H288 N96 O32 S32 Zn16 -","16","0.5","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0938","0.0747","","","0.2358","0.2599","","","","","","1.085","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209685","14.429","0.004","19.03","0.005","24.58","0.007","90","","90","","90","","6749","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C14 H21 Cl2 N4 O1.5 Zn -","- C14 H18 Cl2 N4 O1.5 Zn -","- C224 H288 Cl32 N64 O24 Zn16 -","16","1","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0357","0.0326","","","0.0751","0.0766","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209686","9.654","0.003","12.336","0.003","13.268","0.004","62.445","0.013","77.26","0.017","68.993","0.016","1304.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 Br8 N8 O2 Zn4 -","- C28 H36 Br8 N8 O2 Zn4 -","- C28 H36 Br8 N8 O2 Zn4 -","1","0.5","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0855","0.0601","","","0.1683","0.1914","","","","","","1.102","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209687","9.377","0.003","11.834","0.004","12.956","0.004","64.086","0.01","79.02","0.014","71.274","0.012","1222.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H44 Cl8 N8 O4 Zn4 -","- C28 H36 Cl8 N8 O4 Zn4 -","- C28 H36 Cl8 N8 O4 Zn4 -","1","0.5","","Wen, Yuehong; Sheng, Tianlu; Hu, Shengmin; Wang, Yanlong; Tan, Chunhong; Ma, Xiao; Xue, Zhenzhen; Wang, Yong; Wu, Xintao","Effect of anions on the self-assembly of Zn(ii) with a hydrogenated Schiff base ligand: structural diversity and photoluminescent properties","CrystEngComm","2013","15","14","2714","","10.1039/c3ce26937j","","","0.71073","MoKα","","0.0656","0.0534","","","0.1591","0.1707","","","","","","1.077","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209688","14.1484","0.0005","14.2777","0.0005","21.0378","0.0007","106.575","0.003","95.223","0.003","100.968","0.003","3950.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H106 N2 O36 P S4 Y -","- C66 H106 N2 O36 P S4 Y -","- C132 H212 N4 O72 P2 S8 Y2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","0.71073","MoKα","","0.2079","0.1557","","","0.3324","0.3666","","","","","","1.009","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209689","14.1613","0.0004","14.2691","0.0003","21.0932","0.0006","106.609","0.002","95.188","0.002","101.065","0.002","3960.4","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H106 Gd N2 O36 P S4 -","- C66 H106 Gd N2 O36 P S4 -","- C132 H212 Gd2 N4 O72 P2 S8 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","0.71073","MoKα","","0.198","0.1553","","","0.3256","0.3542","","","","","","1.009","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209690","14.0694","0.0004","14.3067","0.0005","20.9333","0.0007","105.88","0.003","95.132","0.002","101.529","0.002","3924.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H100 N2 O33 P S4 Y -","- C67 H98 N2 O33 P S4 Y -","- C134 H196 N4 O66 P2 S8 Y2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","1.54178","CuKα","","0.1768","0.151","","","0.3304","0.3466","","","","","","1.009","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209691","14.685","0.0005","14.7838","0.0005","21.1776","0.0006","107.952","0.003","100.973","0.002","105.689","0.003","4018.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C69 H105 N O34 P S4 Y -","- C69 H105 N O34 P S4 Y -","- C138 H210 N2 O68 P2 S8 Y2 -","2","1","","Ling, Irene; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Micelle to extended multi-component bilayer systems involving decyl and dodecyl imidazolium and pyridinium cations","CrystEngComm","2013","15","15","2888","","10.1039/c3ce26991d","","","0.71073","MoKα","","0.1204","0.0866","","","0.1684","0.187","","","","","","1.003","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209692","9.0811","0.0006","9.5438","0.0005","12.3439","0.0009","78.643","0.004","71.021","0.003","67.775","0.004","933.16","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 N2 O9 S U -","- C18 H12 N2 O9 S U -","- C36 H24 N4 O18 S2 U2 -","2","1","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0378","0.0298","","","0.0671","0.0692","","","","","","1.022","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209693","9.8594","0.0005","11.6695","0.0007","14.334","0.0007","70.785","0.003","77.639","0.003","71.479","0.002","1465.57","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 N14 Ni2 O34 S2 U2 -","- C40 H44 N14 Ni2 O34 S2 U2 -","- C40 H44 N14 Ni2 O34 S2 U2 -","1","0.5","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0395","0.0302","","","0.0641","0.0661","","","","","","1.023","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209694","9.2111","0.0008","13.1733","0.0006","16.0964","0.0013","84.739","0.004","83.029","0.004","87.457","0.005","1929.4","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 N O9 S U -","- C14 H19 N O9 S U -","- C56 H76 N4 O36 S4 U4 -","4","2","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0861","0.049","","","0.1233","0.1353","","","","","","1.04","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209695","11.5202","0.0006","14.4501","0.001","22.0213","0.001","90","","100.47","0.003","90","","3604.8","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N2 O11.5 S U -","- C12 H8 N2 O11.5 S U -","- C96 H64 N16 O92 S8 U8 -","8","2","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.0704","0.042","","","0.0913","0.0989","","","","","","0.969","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209696","11.4801","0.0005","21.0566","0.0014","14.7227","0.001","90","","110.471","0.004","90","","3334.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 N2 O24 S2 U2 -","- C22 H30 N2 O24 S2 U2 -","- C88 H120 N8 O96 S8 U8 -","4","1","","Thuéry, Pierre","One- to three-dimensional uranyl‒organic assemblies with 3-sulfophthalic and 5-sulfoisophthalic acids","CrystEngComm","2013","15","13","2401","","10.1039/c3ce26996e","","","0.71073","MoKα","","0.069","0.0448","","","0.108","0.117","","","","","","1.048","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209697","18.3342","0.0006","7.6172","0.0002","16.7658","0.0007","90","","90","","90","","2341.43","0.14","116","1","116","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H7 Cd0.5 I N7 -","- C9 H7 Cd0.5 I N7 -","- C72 H56 Cd4 I8 N56 -","8","1","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0545","0.0323","","","0.0611","0.0714","","","","","","1.097","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209698","20.0843","0.0005","20.0843","0.0005","20.2408","0.0007","90","","90","","120","","7070.9","0.3","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C10.8 H8.4 B Cd0.6 F5.2 N8.4 O3.6 P0.2 -","- C10.8 H8.4 B0.996 Cd0.6 F5.184 N8.4 O3.6 P0.2 -","- C162 H126 B14.94 Cd9 F77.76 N126 O54 P3 -","15","0.833333","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.1105","0.0814","","","0.188","0.2076","","","","","","1.078","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209699","16.549","0.012","6.323","0.005","15.523","0.011","90","","109.066","0.01","90","","1535","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cd I2 N6 -","- C10 H8 Cd I2 N6 -","- C40 H32 Cd4 I8 N24 -","4","0.5","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0277","0.0236","","","0.0566","0.0596","","","","","","0.883","","","","has coordinates,has disorder","180427","2020-10-21","18:00:00",""
"7209700","5.5829","0.0013","7.2843","0.0017","9.482","0.002","93.241","0.003","102.883","0.003","94.796","0.003","373.46","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Cd N8 S2 -","- C12 H8 Cd N8 S2 -","- C12 H8 Cd N8 S2 -","1","0.5","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0251","0.0244","","","0.0671","0.0676","","","","","","1.074","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209701","7.4903","0.0012","12.354","0.002","16.282","0.003","101.81","0.003","97.598","0.002","91.796","0.003","1459.2","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H32 Cd2 F12 N24 O13 Si2 -","- C42 H32 Cd2 F12 N24 O13 Si2 -","- C42 H32 Cd2 F12 N24 O13 Si2 -","1","0.5","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0805","0.0714","","","0.1852","0.1961","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209702","16.247","0.004","16.247","0.004","8.146","0.004","90","","90","","120","","1862.2","1.1","150","2","150","2","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C30 H24 Cd Cl2 N18 O8 -","- C30 H24 Cd Cl2 N18 O8 -","- C60 H48 Cd2 Cl4 N36 O16 -","2","0.0833333","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.0936","0.0792","","","0.2685","0.2888","","","","","","1.018","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209703","7.5567","0.0017","12.29","0.003","16.329","0.004","101.322","0.003","97.13","0.003","92.066","0.003","1472.6","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cd F6 N12 O6 Si -","- C20 H16 Cd F6 N12 O6 Si -","- C40 H32 Cd2 F12 N24 O12 Si2 -","2","1","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.1343","0.0736","","","0.1722","0.2047","","","","","","1.046","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209704","16.21","0.004","16.21","0.004","8.07","0.004","90","","90","","120","","1836.4","1.1","173","2","173","2","","","","","","","","6","P 63/m c m","-P 6c 2","193","","","","- C30 H24 B2 Cd F8 N18 -","- C30 H24 B2 Cd F8 N18 -","- C60 H48 B4 Cd2 F16 N36 -","2","0.0833333","","Ding, Bin; Yang, Pan; Liu, Yuan Yuan; Wang, Ying; Du, Gui Xiang","Hydrothermal syntheses and characterization of a series of luminescent Cd(ii) frameworks with pyridine-based and benzene-based bis-triazole ligands","CrystEngComm","2013","15","13","2490","","10.1039/c3ce26998a","","","0.71073","MoKα","","0.1273","0.0897","","","0.2631","0.3056","","","","","","1.099","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209705","40.9855","0.0003","40.9855","0.0003","40.9855","0.0003","90","","90","","90","","68847.9","0.9","213","2","213","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","Zn5((Tp)Fe(CN)3)6(H2O)3.25,4.75MeCN,2.125Et2O,2H2O","Zn5[(Tp)Fe(CN)3]6(H2O)3.25,4.75MeCN,2.125Et2O,2H2O","","- C90 H106 B6 Fe6 N58.75 O7.38 Zn5 -","- C90.003 H74.1 B6 Fe6 N58.734 O7.304 Zn5 -","- C1440.05 H1185.6 B96 Fe96 N939.744 O116.864 Zn80 -","16","0.333333","","Li, Yong-Hua; Min, Yong-Gang; Wang, Shi; Zuo, Jing-Lin; Wang, Lian-Hui; Huang, Wei","An unusual (3,4)-connected cubic-C3N4 type network constructed with [FeIII(Tp)(CN)3]− (Tp− = hydrotris(pyrazolyl)borate)","CrystEngComm","2013","15","19","3772","","10.1039/c3ce27001g","","","0.71073","MoKα","","0.0658","0.0495","","","0.1289","0.1352","","","","","","0.982","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209706","20.073","0.004","20.073","0.004","15.195","0.006","90","","90","","120","","5302","3","223","2","223","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C36 H87 Cd3 Cl9 N24 O36 -","- C36 H36 Cd3 Cl9 N24 O24 -","- C108 H108 Cd9 Cl27 N72 O72 -","3","0.0833333","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.0877","0.0756","","","0.2116","0.2214","","","","","","1.065","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209707","12.6","0.03","12.647","0.014","12.733","0.013","106.08","0.03","105.57","0.05","104.49","0.05","1759","5","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H90 Cd3 Cl6 N24 O39 -","- C36 H36 Cd3 Cl6 N24 O30 -","- C36 H36 Cd3 Cl6 N24 O30 -","1","0.5","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.1668","0.1062","","","0.315","0.3672","","","","","","1.429","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209708","23.6197","0.0015","10.723","0.0006","29.6064","0.0017","90","","112.713","0.003","90","","6917","0.7","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H75 Cd2 Cl8 N24 Na3 O31 -","- C36 H36 Cd2 Cl8 N24 Na3 O18 -","- C144 H144 Cd8 Cl32 N96 Na12 O72 -","4","0.5","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.0641","0.0525","","","0.1556","0.1676","","","","","","1.068","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209709","11.018","0.0005","12.4823","0.001","12.741","0.0006","107.495","0.002","108.015","0.001","97.391","0.002","1541.11","0.16","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H70 Cd2 Cl4 N24 O29 -","- C36 H36 Cd2 Cl4 N24 O16 -","- C36 H36 Cd2 Cl4 N24 O16 -","1","0.5","","Liang, Li-Li; Chen, Kai; Ji, Ning-Ning; Cheng, Xiao-Jie; Zhao, Yi; Xiao, Xin; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Tetrachloride transition-metal dianion-induced coordination and supramolecular self-assembly of strontium dications to cucurbit[8]uril","CrystEngComm","2013","15","13","2416","","10.1039/c3ce27004a","","","0.71073","MoKα","","0.0389","0.0357","","","0.1045","0.1087","","","","","","1.089","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209710","14.3175","0.0003","14.402","0.0003","22.6162","0.0004","90","","100.498","0.001","90","","4585.42","0.16","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cd2 N O12 -","- C21 H21 Cd2 N O12 -","- C84 H84 Cd8 N4 O48 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0869","0.0541","","","0.138","0.1481","","","","","","0.886","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209711","22.8595","0.0006","18.742","0.0006","29.669","0.001","90","","104.858","0.001","90","","12286.2","0.7","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C207 H102 Cu24 O129 -","- C207 H102 Cu24 O129 -","- C207 H102 Cu24 O129 -","1","0.25","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0608","0.0439","","","0.1175","0.1222","","","","","","0.911","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209712","16.8167","0.0003","14.2636","0.0003","12.007","0.0003","90","","118.469","0.0009","90","","2531.82","0.1","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Co2 O14 -","- C17 H18 Co2 O14 -","- C68 H72 Co8 O56 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0733","0.0502","","","0.1387","0.1511","","","","","","0.982","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209713","16.8383","0.0005","14.7317","0.0004","11.9247","0.0004","90","","117.379","0.0012","90","","2626.65","0.14","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Mn2 O14 -","- C17 H18 Mn2 O14 -","- C68 H72 Mn8 O56 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible poly-carboxylic acids with metal ions. IV. Syntheses, structures, and magnetic properties of polymeric networks of 5-(3,5)-(dicarboxybenzyloxy)isophthalic acid with Cd(ii), Cu(ii), Co(ii) and Mn(ii) ions","CrystEngComm","2013","15","15","2853","","10.1039/c3ce27006h","","","0.71073","MoKα","","0.0747","0.0529","","","0.1448","0.1551","","","","","","1.003","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209714","27.6223","0.0007","10.1486","0.0002","16.6182","0.0005","90","","94.794","0.001","90","","4642.2","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 Cd3 N3 O17 -","- C34 H25 Cd3 N3 O17 -","- C136 H100 Cd12 N12 O68 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.0318","0.0256","","","0.0665","0.0699","","","","","","1.053","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209715","11.6416","0.0007","14.9517","0.0009","16.6108","0.0011","90","","93.893","0.003","90","","2884.6","0.3","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cu3 N4 O18 -","- C38 H38 Cu3 N4 O18 -","- C76 H76 Cu6 N8 O36 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.059","0.0516","","","0.1712","0.1752","","","","","","1.355","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209716","12.5175","0.0002","17.86","0.0003","12.3435","0.0002","90","","112.601","0.0006","90","","2547.62","0.07","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Co3 N4 O30 -","- C38 H62 Co3 N4 O30 -","- C76 H124 Co6 N8 O60 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.0739","0.048","","","0.1263","0.1434","","","","","","0.982","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209717","12.663","0.0014","18.189","0.002","12.5528","0.0014","90","","113.388","0.005","90","","2653.7","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Mn3 N2 O24 -","- C32 H32 Mn3 N2 O24 -","- C64 H64 Mn6 N4 O48 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71069","MoKα","","0.0539","0.0477","","","0.1593","0.1674","","","","","","0.978","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209718","12.4428","0.0004","17.7483","0.0006","12.2315","0.0003","90","","112.51","0.001","90","","2495.39","0.13","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 N4 Ni3 O30 -","- C38 H62 N4 Ni3 O30 -","- C76 H124 N8 Ni6 O60 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Coordination polymers of flexible polycarboxylic acids with metal ions. V. polymeric frameworks of 5-(3,5-dicarboxybenzyloxy)-3-pyridine carboxylic acid with Cd(ii), Cu(ii), Co(ii), Mn(ii) and Ni(ii) ions; synthesis, structure, and magnetic properties","CrystEngComm","2013","15","15","2863","","10.1039/c3ce27023h","","","0.71073","MoKα","","0.0972","0.0521","","","0.1297","0.1462","","","","","","0.916","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209719","13.7904","0.0006","13.029","0.0005","16.7784","0.0007","90","","110.786","0.001","90","","2818.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-lutidinium pamoate THF solvate","","","- C34 H33 N O7 -","- C34 H33 N O7 -","- C136 H132 N4 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0815","0.0631","","","0.1745","0.1909","","","","","","1.067","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209720","10.866","0.0012","24.737","0.003","11.8896","0.0013","90","","96.584","0.001","90","","3174.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,4-lutidinium pamoate dihydrate","","","- C37 H37.36 N2 O7.68 -","- C37 H37.354 N2 O7.677 -","- C148 H149.416 N8 O30.708 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0496","0.0399","","","0.1004","0.1074","","","","","","1.062","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209721","22.064","0.003","19.904","0.002","14.513","0.0017","90","","115.221","0.002","90","","5766","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-picolinium pamoate hydrate THF solvate","","","- C33 H32 N O7.5 -","- C33 H26 N O7.5 -","- C264 H208 N8 O60 -","8","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0862","0.0551","","","0.1295","0.1509","","","","","","1.048","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209722","22.221","0.003","19.525","0.003","14.438","0.002","90","","115.645","0.002","90","","5647.1","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-picolinium pamoate hydrate THF solvate","","","- C33 H32 N O7.5 -","- C33 H30 N O7.5 -","- C264 H240 N8 O60 -","8","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0829","0.0493","","","0.1142","0.1347","","","","","","1.033","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209723","13.445","0.0013","14","0.0013","13.8229","0.0013","90","","114.612","0.001","90","","2365.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-lutidinium pamoate","","","- C30 H25 N O6 -","- C30 H25 N O6 -","- C120 H100 N4 O24 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0504","0.0386","","","0.0939","0.1018","","","","","","1.045","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209724","13.7002","0.001","13.2762","0.001","16.7596","0.0012","90","","112.418","0.001","90","","2818","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-picolinium pamoate NMP solvate","","","- C34 H32 N2 O7 -","- C34 H32 N2 O7 -","- C136 H128 N8 O28 -","4","1","","Wahl, Helene; Haynes, Delia A.; Roex, Tanya le","Hydrate formation in pyridinium pamoate salts","CrystEngComm","2013","15","13","2450","","10.1039/c3ce27027k","","","0.71073","MoKα","","0.0892","0.0517","","","0.1222","0.144","","","","","","1.033","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209725","7.3335","0.0006","5.8827","0.0004","12.8465","0.0009","90","","99.79","0.007","90","","546.14","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N O4 -","- C11 H13 N O4 -","- C22 H26 N2 O8 -","2","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.0508","0.0337","","","0.0585","0.0606","","","","","","1.012","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209726","7.5402","0.0002","7.5402","0.0002","22.7232","0.0001","90","","90","","90","","1291.92","0.05","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C11 H15 Cu N O6 -","- C11 H15 Cu N O6 -","- C44 H60 Cu4 N4 O24 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.037","0.0356","","","0.0832","0.0845","","","","","","1.008","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209727","7.5385","0.00001","7.5385","0.00001","22.7308","0.0001","90","","90","","90","","1291.77","0.006","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C11 H15 Cu N O6 -","- C11 H15 Cu N O6 -","- C44 H60 Cu4 N4 O24 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.033","0.0298","","","0.0632","0.0649","","","","","","1.004","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209728","5.8266","0.0002","17.2093","0.0007","23.5764","0.0001","90","","90","","90","","2364.05","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cd N2 O11 -","- C22 H30 Cd N2 O11 -","- C88 H120 Cd4 N8 O44 -","4","1","","Li, Xinfa; Zhao, Huajun; Zeng, Qihua","Chirality and absolute helicity in a pair of enantiomeric amino acid derivatives and their complexes: structures, chiroptical, and photoluminescent properties","CrystEngComm","2013","15","18","3593","","10.1039/c3ce27028a","","","0.71073","MoKα","","0.0593","0.0378","","","0.0763","0.084","","","","","","1.001","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209729","21.79","0.001","21.79","0.001","6.9741","0.0005","90","","90","","90","","3311.3","0.3","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","[Zn(tzeg)]n","[Zn(tzeg)]n","","- C5 H7 N5 O2 Zn -","- C5 H7 N5 O2 Zn -","- C80 H112 N80 O32 Zn16 -","16","1","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Guo, Guo-Cong; Wu, A-Qing","Hydrothermal syntheses, crystal structures and physical properties of a new family of energetic coordination polymers with nitrogen-rich ligand N-[2-(1H-tetrazol-5-yl)ethyl]glycine","CrystEngComm","2013","15","14","2616","","10.1039/c3ce27048c","","","0.71073","MoKα","","0.0324","0.0297","","","0.0742","0.0758","","","","","","1.008","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209730","18.904","0.005","7.5712","0.0015","14.406","0.004","90","","120.575","0.019","90","","1775.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cd(tzeg)(H2O)]n","","","- C5 H9 Cd N5 O3 -","- C5 H9 Cd N5 O3 -","- C40 H72 Cd8 N40 O24 -","8","1","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Guo, Guo-Cong; Wu, A-Qing","Hydrothermal syntheses, crystal structures and physical properties of a new family of energetic coordination polymers with nitrogen-rich ligand N-[2-(1H-tetrazol-5-yl)ethyl]glycine","CrystEngComm","2013","15","14","2616","","10.1039/c3ce27048c","","","0.71073","MoKα","","0.0313","0.026","","","0.0643","0.0675","","","","","","1.009","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209731","18.672","0.009","7.359","0.003","14.81","0.007","90","","125.297","0.005","90","","1660.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Cu(tzeg)(H2O)]n","[Cu(tzeg)(H2O)]n","","- C5 H9 Cu N5 O3 -","- C5 H9 Cu N5 O3 -","- C40 H72 Cu8 N40 O24 -","8","1","","Wang, Shuai-Hua; Zheng, Fa-Kun; Wu, Mei-Feng; Liu, Zhi-Fa; Chen, Jun; Guo, Guo-Cong; Wu, A-Qing","Hydrothermal syntheses, crystal structures and physical properties of a new family of energetic coordination polymers with nitrogen-rich ligand N-[2-(1H-tetrazol-5-yl)ethyl]glycine","CrystEngComm","2013","15","14","2616","","10.1039/c3ce27048c","","","0.71073","MoKα","","0.0346","0.0279","","","0.0686","0.0728","","","","","","1.002","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209732","11.5417","0.001","19.8125","0.0017","15.9144","0.0014","90","","99.277","0.002","90","","3591.5","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N7 O3 Zn -","- C36 H29 N7 O3 Zn -","- C144 H116 N28 O12 Zn4 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.0648","0.0475","","","0.1288","0.1496","","","","","","1.126","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209733","10.3255","0.0006","17.0424","0.0008","19.2023","0.001","90","","105.25","0.001","90","","3260.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35.52 H29.08 N7 O4.52 Zn -","- C35.52 H29.08 N7 O4.52 Zn -","- C142.08 H116.32 N28 O18.08 Zn4 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.1059","0.0764","","","0.1987","0.2235","","","","","","1.056","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209734","10.0345","0.0002","17.8774","0.0005","18.5558","0.0004","90","","91.106","0.001","90","","3328.12","0.13","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N7 O5 Zn -","- C37 H33 N7 O5 Zn -","- C148 H132 N28 O20 Zn4 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.0841","0.0442","","","0.1005","0.1436","","","","","","1.171","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209735","22.1947","0.0006","12.6975","0.0003","28.1501","0.0006","90","","112.104","0.001","90","","7350.1","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H73 N16 O9 Zn3 -","- C80 H61 N16 O9 Zn3 -","- C320 H244 N64 O36 Zn12 -","4","1","","Xu, Guan-Cheng; Zhang, Li; Zhang, Yan-Hui; Guo, Ji-Xi; Shi, Man-Qi; Jia, Dian-Zeng","Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine","CrystEngComm","2013","15","15","2873","","10.1039/c3ce27049a","","","0.71073","MoKα","","0.1035","0.0576","","","0.1408","0.1787","","","","","","1.091","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209736","7.0862","0.0005","9.8582","0.0007","12.1267","0.0008","71.132","0.004","83.785","0.004","86.867","0.004","796.73","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H3 Bi3 Cu N4 O11 -","- C10 H3 Bi3 Cu N4 O11 -","- C20 H6 Bi6 Cu2 N8 O22 -","2","1","","SHI, Fa-Nian; Silva, Ana Rosa; Yang, Ting-Hai; Rocha, João","Mixed Cu(ii)‒Bi(iii) metal organic framework with a 2D inorganic subnetwork and its catalytic activity","CrystEngComm","2013","15","19","3776","","10.1039/c3ce27056d","","","0.71073","MoKα","","0.0604","0.0414","","","0.0887","0.0955","","","","","","1.044","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209737","11.8179","0.001","11.8179","0.001","37.714","0.005","90","","90","","90","","5267.2","0.9","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C20 H25 Co N4 O11 -","- C20 H13 Co N4 O11 -","- C160 H104 Co8 N32 O88 -","8","0.5","","Liu, Yong-Liang; Yue, Ke-Fen; Li, Dong-Sheng; Yu, Yang; Hou, Lei; Wang, Yao-Yu","The first one-fold inclined 1D →3D polycatenation assembly from unique interweaving triple-stranded helices","CrystEngComm","2013","15","15","2791","","10.1039/c3ce27061k","","","0.71073","MoKα","","0.1195","0.0659","","","0.1745","0.2097","","","","","","1.012","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209738","19.362","0.0003","19.362","0.0003","19.362","0.0003","90","","90","","90","","7258.56","0.19","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cd0.25 Cl0.06 N2 O0.25 -","- C1.5 H0.5 Cd0.25 Cl0.0625 N2 O0.25 -","- C72 H24 Cd12 Cl3 N96 O12 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0295","0.0268","","","0.0701","0.0718","","","","","","1.131","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209739","19.2945","0.0002","19.2945","0.0002","19.2945","0.0002","90","","90","","90","","7182.91","0.13","423","2","423","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cd0.29 Cl0.13 N2 -","- C1.5 H0.5 Cd0.29 Cl0.125 N2 -","- C72 H24 Cd13.92 Cl6 N96 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0606","0.0558","","","0.164","0.1698","","","","","","1.257","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209740","18.7976","0.0003","18.7976","0.0003","18.7976","0.0003","90","","90","","90","","6642.13","0.18","293","2","293","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.06 Co0.29 N2 O0.25 -","- C1.5 H0.5 Cl0.0625 Co0.28 N2 O0.25 -","- C72 H24 Cl3 Co13.44 N96 O12 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0702","0.0653","","","0.1889","0.1939","","","","","","1.123","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209741","18.5015","0.0003","18.5015","0.0003","18.5015","0.0003","90","","90","","90","","6333.17","0.18","423","2","423","2","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.19 Co0.31 N2 -","- C1.5 H0.5 Cl0.1875 Co0.315 N2 -","- C72 H24 Cl9 Co15.12 N96 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0942","0.0873","","","0.2512","0.2583","","","","","","1.221","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209742","18.6483","0.0003","18.6483","0.0003","18.6483","0.0003","90","","90","","90","","6485.12","0.18","294","2","294","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.13 N2 Ni0.31 O0.25 -","- C1.5 H0.5 Cl0.1275 N2 Ni0.315 O0.25 -","- C72 H24 Cl6.12 N96 Ni15.12 O12 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0723","0.0675","","","0.2012","0.2056","","","","","","1.106","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209743","18.5564","0.0003","18.5564","0.0003","18.5564","0.0003","90","","90","","90","","6389.71","0.18","423","2","423","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C1.5 H0.5 Cl0.1 N2 Ni0.42 O0.38 -","- C1.5 H0.5 Cl0.1125 N2 Ni0.415 O0.375 -","- C72 H24 Cl5.4 N96 Ni19.92 O18 -","48","1","","Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Wang, Chih-Chieh","Characterization, adsorption properties, metal ion-exchange and crystal-to-crystal transformation of Cd3[(Cd4Cl)3(BTT)8(H2O)12]2 framework, where BTT3− = 1,3,5-benzenetristetrazolate","CrystEngComm","2013","15","17","3377","","10.1039/c3ce27063g","","","0.71073","MoKα","","0.0801","0.0525","","","0.1491","0.1866","","","","","","1.183","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209744","12.1273","0.0011","13.8348","0.0014","20.0191","0.0018","73.539","0.006","73.108","0.006","70.312","0.006","2961.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H104 Cr2 Mn2 N20 O10 -","- C134 H104 Cr2 Mn2 N20 O10 -","- C134 H104 Cr2 Mn2 N20 O10 -","1","0.5","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.1773","0.069","","","0.1617","0.2169","","","","","","1.015","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209745","15.0704","0.0004","19.5784","0.0005","20.9873","0.0006","70.3","0.001","80.675","0.001","87.877","0.001","5751.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H104 Co2 Mn2 N20 O10 -","- C134 H104 Co2 Mn2 N20 O10 -","- C268 H208 Co4 Mn4 N40 O20 -","2","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.0624","0.0459","","","0.1418","0.1577","","","","","","1.002","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209746","15.0924","0.0007","19.7862","0.0009","21.0071","0.0011","70.461","0.003","81.22","0.003","88.865","0.003","5839.4","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H104 Cr2 Mn2 N20 O10 -","- C134 H104 Cr2 Mn2 N20 O10 -","- C268 H208 Cr4 Mn4 N40 O20 -","2","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.0635","0.0447","","","0.1311","0.1615","","","","","","1.028","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209747","12.0132","0.0018","13.8829","0.0019","19.838","0.003","72.979","0.002","73.582","0.002","70.255","0.002","2914.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C134 H108 Co2 Mn2 N20 O12 -","- C134 H108 Co2 Mn2 N20 O12 -","- C134 H108 Co2 Mn2 N20 O12 -","1","0.5","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.1117","0.0722","","","0.2041","0.2383","","","","","","1.017","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209748","15.9553","0.0014","17.9118","0.0016","24.897","0.002","90","","99.081","0.005","90","","7026.1","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H52 Cl4 Co Mn N10 O6 -","- C68 H52 Cl4 Co Mn N10 O6 -","- C272 H208 Cl16 Co4 Mn4 N40 O24 -","4","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.0791","0.0581","","","0.1727","0.1878","","","","","","1.055","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209749","16.102","0.004","18.12","0.004","24.444","0.005","90","","99.438","0.004","90","","7035","3","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C65 H44 Cl4 Cr Mn N10 O5 -","- C65 H44 Cl4 Cr Mn N10 O5 -","- C260 H176 Cl16 Cr4 Mn4 N40 O20 -","4","1","","Zhang, Daopeng; Zhao, Zengdian; Wang, Ping; Ni, Zhonghai","Substituent group tuned tri- and binuclear porphyrin-based cyanide-bridged bimetallic complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2013","15","13","2504","","10.1039/c3ce27064e","","","0.71073","MoKα","","0.1894","0.0759","","","0.172","0.226","","","","","","1.005","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209750","8.974","0.0018","9.951","0.002","29.751","0.006","90","","90.34","0.03","90","","2656.7","0.9","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl)ethanone-phenol co-crystal","","- C34 H28 N2 O3 -","- C34 H28 N2 O3 -","- C136 H112 N8 O12 -","4","2","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1614","0.0788","","","0.1346","0.1651","","","","","","1","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209751","8.7264","0.0017","13.335","0.003","19.06","0.004","84.69","0.03","86.33","0.03","75.72","0.03","2138.2","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl)ethanone","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C112 H88 N8 O8 -","4","2","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1317","0.0667","","","0.1656","0.1947","","","","","","1.034","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209752","10.133","0.002","8.776","0.0018","16.458","0.003","90","","92.6","0.03","90","","1462.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol- 1-yl)ethanone-2-naphthol co-crystal","","- C38 H30 N2 O3 -","- C38 H30 N2 O3 -","- C76 H60 N4 O6 -","2","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; Xu, Chunxiang; Zhao, Jing; Zhang, Hongjuan","Tuning solid-state fluorescence of pyrene derivatives via a cocrystal strategy","CrystEngComm","2013","15","18","3623","","10.1039/c3ce27102a","","","0.71073","MoKα","","0.1318","0.0651","","","0.1142","0.1343","","","","","","1.002","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209753","5.6999","0.0002","6.5428","0.0003","23.1874","0.001","90","","94.835","0.004","90","","861.66","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Prolinium cocrystal of S-Naproxen","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid - S-pyrrolidinium-2-carboxylate (1:1)","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0411","0.0389","","","0.1136","0.1168","","","","","","1.097","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209754","5.7713","0.0002","6.252","0.0003","23.8346","0.0011","90","","92.047","0.004","90","","859.46","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-Prolinium cocrystal of S-Naproxen","(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid - R-pyrrolidinium-2-carboxylate (1:1)","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0658","0.0642","","","0.1795","0.1811","","","","","","1.064","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209755","6.1054","0.0002","12.475","0.0005","49.1664","0.0013","90","","90","","90","","3744.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","DL-Prolinium cocrystal of RS-Naproxen","Pyrrolidinium-2-carboxylate-2-(6-methoxynaphthalen-2-yl)propanoic acid hydrate(1:1:1)","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C152 H200 N8 O48 -","8","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","1.54184","CuKα","","0.0717","0.0524","","","0.1415","0.1566","","","","","","1.026","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209756","13.122","0.002","5.898","0.001","24.075","0.003","90","","95.56","0.005","90","","1854.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Prolinium cocrystal of RS-Naproxen","Pyrrolidinium-2-carboxylate-2-(6-methoxynaphthalen-2-yl)propanoic acid hydrate(1:1:1)","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","2","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","On the influence of using a zwitterionic coformer for cocrystallization: structural focus on naproxen‒proline cocrystals","CrystEngComm","2013","15","17","3341","","10.1039/c3ce40084k","","","0.71073","MoKα","","0.05","0.0421","","","0.1052","0.1124","","","","","","0.832","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209757","12.1297","0.0004","13.0897","0.0004","14.3302","0.0006","91.39","0.003","98.373","0.003","90.423","0.002","2250.21","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H73.6 Cd4 Cl2 N18 Na0.4 O26 -","- C92 H64 Cd4 Cl2 N18 Na0.4 O26 -","- C92 H64 Cd4 Cl2 N18 Na0.4 O26 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.0488","0.0374","","","0.0889","0.0955","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209758","12.138","0.0007","13.146","0.0007","14.321","0.0008","91.158","0.005","98.911","0.005","90.567","0.004","2256.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H72 Cd4 N18 O25 -","- C84 H60 Cd4 N18 O25 -","- C84 H60 Cd4 N18 O25 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71069","MoKα","","0.0856","0.0567","","","0.1438","0.1627","","","","","","1.043","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209759","10.6682","0.0006","13.4763","0.0007","15.2036","0.0005","94.98","0.004","105.397","0.004","110.916","0.005","1928.04","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H64 N18 O19 Zn2 -","- C84 H62 N18 O19 Zn2 -","- C84 H62 N18 O19 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.0686","0.0462","","","0.0996","0.1102","","","","","","1.026","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209760","10.927","0.0008","13.416","0.0007","14.968","0.001","90.755","0.005","109.04","0.006","103.885","0.005","2003.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 N18 O17 Zn2 -","- C76 H44 N18 O18 Zn2 -","- C76 H44 N18 O18 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.1462","0.0883","","","0.1751","0.1981","","","","","","1.074","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209761","10.312","0.0011","15.257","0.0013","15.919","0.0018","61.382","0.01","73.331","0.009","74.962","0.008","2083.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H68 N18 O18 Zn2 -","- C88 H66 N18 O18 Zn2 -","- C88 H66 N18 O18 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71069","MoKα","","0.1219","0.0751","","","0.1718","0.199","","","","","","1.074","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209762","10.44","0.0005","14.925","0.0009","15.176","0.0006","65.274","0.005","75.741","0.004","71.068","0.005","2014.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H68 N18 O14 Zn2 -","- C88 H48 N18 O14 Zn2 -","- C88 H48 N18 O14 Zn2 -","1","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71073","MoKα","","0.1248","0.0707","","","0.161","0.1933","","","","","","1.017","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209763","25.601","0.0013","23.058","0.0008","17.317","0.0009","90","","116.446","0.007","90","","9152.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H78 Cd4 N18 O30 -","- C76 H58 Cd4 N18 O30 -","- C304 H232 Cd16 N72 O120 -","4","0.5","","Wang, Wei; Kan, Wei-Qiu; Yang, Jin; Ma, Jian-Fang","A series of coordination polymers assembled from d10 metals and a new multidentate N-donor ligand: syntheses, structures, and photoluminescent properties","CrystEngComm","2013","15","19","3824","","10.1039/c3ce40119g","","","0.71069","MoKα","","0.0742","0.0513","","","0.1439","0.1631","","","","","","1.047","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209764","8.503","0.013","11.983","0.017","15.39","0.02","90","","90.509","0.018","90","","1568","4","301","2","301","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C3 H12 Bi Cl3 N6 S3 -","- C3 H12 Bi Cl3 N6 S3 -","- C12 H48 Bi4 Cl12 N24 S12 -","4","1","","Li, Ming; Li, R. K.","Crystal growth and characterization of a new polymorph of bismuth trithiourea chloride","CrystEngComm","2013","15","20","4176","","10.1039/c3ce40121a","","","0.71075","MoKα","","0.0643","0.0496","","","0.1012","0.109","","","","","","1.071","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209765","13.593","0.0011","13.593","0.0011","7.1406","0.0011","90","","90","","120","","1142.6","0.2","299","2","299","2","","","","","","","","6","P 3","P 3","143","","","","- C3 H12 Bi Cl3 N6 S3 -","- C3 H12 Bi Cl3 N6 S3 -","- C9 H36 Bi3 Cl9 N18 S9 -","3","1","","Li, Ming; Li, R. K.","Crystal growth and characterization of a new polymorph of bismuth trithiourea chloride","CrystEngComm","2013","15","20","4176","","10.1039/c3ce40121a","","","0.71075","MoKα","","0.0672","0.0481","","","0.0703","0.0765","","","","","","1.111","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209766","16.091","0.012","8.987","0.006","24.71","0.013","90","","128.62","0.03","90","","2792","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Co N4 Ni O10 -","- C28 H25 Co N4 Ni O10 -","- C112 H100 Co4 N16 Ni4 O40 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhu, Li-Na","Analysis of factors governing the formation of single-stranded helical coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+","CrystEngComm","2013","15","15","2800","","10.1039/c3ce40124c","","","0.71073","MoKα","","0.0666","0.0517","","","0.1686","0.1763","","","","","","1.04","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209767","15.674","0.003","8.6916","0.0017","19.06","0.004","90","","91.3","0.03","90","","2595.9","0.9","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cu N4 Ni O12 -","- C24 H24 Cu N4 Ni O12 -","- C96 H96 Cu4 N16 Ni4 O48 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhu, Li-Na","Analysis of factors governing the formation of single-stranded helical coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+","CrystEngComm","2013","15","15","2800","","10.1039/c3ce40124c","","","0.71073","MoKα","","0.04","0.0333","","","0.0907","0.0945","","","","","","1.1","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209768","15.9","0.02","8.875","0.011","24.97","0.02","90","","128.93","0.05","90","","2741","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Mn N4 Ni O12 -","- C24 H16 Mn N4 Ni O12 -","- C96 H64 Mn4 N16 Ni4 O48 -","4","1","","Li, Xiao-Zeng; Hao, Peng-Peng; Wang, Dan; Zhu, Li-Na","Analysis of factors governing the formation of single-stranded helical coordination polymers from a macrocyclic metalloligand and Ca2+, Mn2+, Fe2+, Co2+, Ni2+, Cu2+, Zn2+ and Pb2+","CrystEngComm","2013","15","15","2800","","10.1039/c3ce40124c","","","0.71073","MoKα","","0.1275","0.0894","","","0.2367","0.294","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209769","15.86","0.005","14.713","0.005","7.995","0.003","104.946","0.003","82.339","0.001","68.821","0.003","1626.8","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C21.5 H20.5 Cu I4 N4.5 O Pb -","- C21.5 H20.5 Cu I4 N4.5 O Pb -","- C43 H41 Cu2 I8 N9 O2 Pb2 -","2","1","","Wang, Guan-E; Xu, Gang; Li, Pei-Xin; Wang, Shuai-Hua; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun","Diplex single-crystal-to-single-crystal transformation by different inducement","CrystEngComm","2013","15","14","2579","","10.1039/c3ce40136g","","","0.71073","MoKα","","0.0417","0.0368","","","0.0941","0.0954","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209770","17.943","0.006","19.378","0.006","7.853","0.002","90","","95.009","0.005","90","","2720.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu I4 N4 Pb -","- C20 H16 Cu I4 N4 Pb -","- C80 H64 Cu4 I16 N16 Pb4 -","4","1","","Wang, Guan-E; Xu, Gang; Li, Pei-Xin; Wang, Shuai-Hua; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun","Diplex single-crystal-to-single-crystal transformation by different inducement","CrystEngComm","2013","15","14","2579","","10.1039/c3ce40136g","","","0.71073","MoKα","","0.0439","0.0309","","","0.0601","0.0631","","","","","","0.959","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209771","17.604","0.006","14.926","0.005","16.292","0.006","90","","105.311","0.005","90","","4129","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu I6 N6 Pb2 -","- C30 H24 Cu I6 N6 Pb2 -","- C120 H96 Cu4 I24 N24 Pb8 -","4","1","","Wang, Guan-E; Xu, Gang; Li, Pei-Xin; Wang, Shuai-Hua; Wang, Ming-Sheng; Guo, Guo-Cong; Huang, Jin-Shun","Diplex single-crystal-to-single-crystal transformation by different inducement","CrystEngComm","2013","15","14","2579","","10.1039/c3ce40136g","","","0.71073","MoKα","","0.0735","0.0526","","","0.1392","0.1565","","","","","","1.011","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209772","13.5031","0.0006","11.2985","0.0005","25.4543","0.0012","90","","98.694","0.004","90","","3838.8","0.3","100","2","100","2","","","","","","","Starting reagent was purchased from SIGMA","5","P 1 21/n 1","-P 2yn","14","n-butylammoniun salt of tolbutamide","","","- C16 H29 N3 O3 S -","- C16 H29 N3 O3 S -","- C128 H232 N24 O24 S8 -","8","2","","Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A.","Crystalline products of tolbutamide decomposition in water after microwave treatment","CrystEngComm","2013","15","18","3582","","10.1039/c3ce40145f","","","0.71073","MoKα","","0.1041","0.0677","","","0.1339","0.1506","","","","","","1.041","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209773","5.1562","0.0002","8.325","0.0004","9.8583","0.0007","100.801","0.005","102.284","0.004","90.371","0.003","405.68","0.04","295","2","295","2","","","","","","","Starting reagent was purchased from SIGMA","5","P 1","P 1","1","p-toluenesulfonamide","","","- C7 H9 N O2 S -","- C7 H9 N O2 S -","- C14 H18 N2 O4 S2 -","2","2","","Drebushchak, Tatiana N.; Pankrushina, Natalia A.; Mikheev, Aleksandr N.; Thumm, Manfred K. A.","Crystalline products of tolbutamide decomposition in water after microwave treatment","CrystEngComm","2013","15","18","3582","","10.1039/c3ce40145f","","","0.71073","MoKα","","0.0539","0.0421","","","0.0893","0.0972","","","","","","1.027","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209774","17.795","0.0014","7.3167","0.0006","11.3957","0.0009","90","","97.479","0.001","90","","1471.1","0.2","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Co2 F2 N4 O13 -","- C24 H20 Co2 F2 N4 O13 -","- C48 H40 Co4 F4 N8 O26 -","2","0.5","","Zhang, Guangju; Hu, Hailiang; Li, Hao; Zhao, Fangfang; Liu, Yang; He, Xiaodie; Huang, Hui; Xu, Yan; Wei, Ying; Kang, Zhenhui","Homochiral metal‒organic porous materials for enantioselective recognition and electrocatalysis","CrystEngComm","2013","15","17","3288","","10.1039/c3ce40162f","","","0.71073","MoKα","","0.0447","0.0387","","","0.1067","0.1104","","","","","","1.066","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209775","17.857","0.01","7.324","0.004","11.409","0.006","90","","97.668","0.009","90","","1478.8","1.4","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 Co2 F2 N4 O13 -","- C24 H20 Co2 F2 N4 O13 -","- C48 H40 Co4 F4 N8 O26 -","2","0.5","","Zhang, Guangju; Hu, Hailiang; Li, Hao; Zhao, Fangfang; Liu, Yang; He, Xiaodie; Huang, Hui; Xu, Yan; Wei, Ying; Kang, Zhenhui","Homochiral metal‒organic porous materials for enantioselective recognition and electrocatalysis","CrystEngComm","2013","15","17","3288","","10.1039/c3ce40162f","","","0.71073","MoKα","","0.0618","0.0527","","","0.1512","0.1585","","","","","","1.051","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209776","23.6899","0.0004","23.6899","0.0004","30.8058","0.0007","90","","90","","120","","14972.3","0.5","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C61.5 H69.5 N4.5 O24.5 Zn4 -","- C48 H37.98 O20 Zn4 -","- C288 H227.88 O120 Zn24 -","6","0.333333","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0561","0.0465","","","0.135","0.14","","","","","","1.077","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209777","22.3139","0.0002","22.3139","0.0002","43.2016","0.0008","90","","90","","90","","21510.5","0.5","130","2","130","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C200 H240 Cd7 Cl2 N16 O68 -","- C200 H240 Cd7 Cl2 N16 O68 -","- C800 H960 Cd28 Cl8 N64 O272 -","4","0.25","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.1195","0.0526","","","0.1176","0.1295","","","","","","0.817","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209778","29.5046","0.0005","14.3407","0.0002","18.4708","0.0003","90","","90","","90","","7815.3","0.2","130","2","130","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C68 H60 O28 Pb6 -","- C68 H60 O28 Pb6 -","- C272 H240 O112 Pb24 -","4","0.5","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0673","0.03","","","0.0591","0.0624","","","","","","0.847","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209779","15.1458","0.0006","20.2514","0.0009","8.6838","0.0004","90","","90","","90","","2663.5","0.2","130","2","130","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C128 H144 O16 -","8","0.5","","Lestari, Witri Wahyu; Lönnecke, Peter; Sárosi, Menyhárt B.; Streit, Huayna Cerqueira; Adlung, Matthias; Wickleder, Claudia; Handke, Marcel; Einicke, Wolf-Dietrich; Gläser, Roger; Hey-Hawkins, Evamarie","Syntheses, structures and luminescence properties of novel metal‒organic frameworks based on zinc(ii), cadmium(ii) or lead(ii) and a 2,2′-dimethoxy-functionalised biphenyl linker","CrystEngComm","2013","15","19","3874","","10.1039/c3ce40179k","","","0.71073","MoKα","","0.0429","0.0376","","","0.1039","0.1061","","","","","","1.039","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209780","32.547","0.001","17.5335","0.0006","13.7923","0.0006","90","","90","","90","","7870.8","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C66 H86 Ce2 N12 O34 -","- C66 H78 Ce2 N12 O30 -","- C264 H312 Ce8 N48 O120 -","4","0.5","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.1123","0.056","","","0.0885","0.1057","","","","","","0.966","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209781","15.9742","0.0003","15.9742","0.0003","19.4383","0.0006","90","","90","","120","","4295.63","0.17","293","2","293","2","","","","","","","","7","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C48 H58 Ce F6 N8 O14 P -","- C48 H58 Ce F6 N8 O14 P -","- C144 H174 Ce3 F18 N24 O42 P3 -","3","0.25","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.0614","0.0453","","","0.121","0.1314","","","","","","1.067","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209782","29.134","0.006","14.254","0.003","14.244","0.003","90","","104.1","0.03","90","","5737","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H30 Ce N5 O14 -","- C23 H30 Ce N5 O14 -","- C184 H240 Ce8 N40 O112 -","8","1","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.1183","0.0838","","","0.2104","0.2347","","","","","","1.053","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209783","17.751","0.004","10.493","0.002","22.403","0.004","90","","104.44","0.03","90","","4041","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 Ce N4 O8 -","- C44 H48 Ce N4 O8 -","- C176 H192 Ce4 N16 O32 -","4","1","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.0967","0.0615","","","0.1154","0.1317","","","","","","1.069","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209784","14.56","0.003","15.267","0.003","16.804","0.003","70.46","0.03","72.52","0.03","64.76","0.03","3129.1","1.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H62 Ce Cl2 F18 N4 O11 P3 -","- C46 H58 Ce Cl2 F18 N4 O11 P3 -","- C92 H116 Ce2 Cl4 F36 N8 O22 P6 -","2","1","","Gao, Bo; Zhang, Qian; Yan, Pengfei; Hou, Guangfeng; Li, Guangming","Crystal engineering of salen type cerium complexes tuned by various cerium counterions","CrystEngComm","2013","15","20","4167","","10.1039/c3ce40207j","","","0.71073","MoKα","","0.1062","0.0727","","","0.1905","0.216","","","","","","1.021","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209785","19.663","0.0003","19.663","0.0003","19.663","0.0003","90","","90","","90","","7602.4","0.2","293","2","293","2","","","","","","","","6","P n -3 n :2","-P 4a 2bc 3","222","","","","- C96 H96 Cu6 Mo12 N72 O43 -","- C96 H96 Cu6 Mo12 N72 O43 -","- C192 H192 Cu12 Mo24 N144 O86 -","2","0.0416667","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71073","MoKα","","0.1236","0.1125","","","0.1915","0.1967","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209786","26.7741","0.0007","10.0535","0.0003","22.0865","0.0007","90","","97.275","0.003","90","","5897.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Mo10 N18 O42 Zn3 -","- C24 H26 Mo10 N18 O42 Zn3 -","- C96 H104 Mo40 N72 O168 Zn12 -","4","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71073","MoKα","","0.0368","0.0307","","","0.0676","0.0711","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209787","10.575","0.0005","10.894","0.0005","13.87","0.0007","87.233","0.004","72.403","0.004","66.408","0.004","1390.96","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Mo8 N18 O34 Zn2 -","- C24 H26 Mo8 N18 O34 Zn2 -","- C24 H26 Mo8 N18 O34 Zn2 -","1","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71069","MoKα","","0.0508","0.0356","","","0.0819","0.0895","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209788","10.549","0.0007","10.842","0.0007","13.8","0.0009","87.135","0.006","72.428","0.006","66.412","0.007","1374.43","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Co2 Mo8 N18 O34 -","- C24 H22 Co2 Mo8 N18 O34 -","- C24 H22 Co2 Mo8 N18 O34 -","1","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71069","MoKα","","0.0572","0.0379","","","0.0823","0.0908","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209789","12.113","0.0018","12.226","0.0015","12.289","0.0016","102.178","0.011","100.545","0.012","119.663","0.014","1454.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H52 Co2 Mo8 N18 O40 -","- C24 H24 Co2 Mo8 N18 O40 -","- C24 H24 Co2 Mo8 N18 O40 -","1","0.5","","Zhang, Zhe; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Five polyoxometalate-based inorganic‒organic hybrid compounds constructed by a multidentate N-donor ligand: syntheses, structures, electrochemistry, and photocatalysis properties","CrystEngComm","2013","15","19","3843","","10.1039/c3ce40210j","","","0.71069","MoKα","","0.1432","0.069","","","0.123","0.1567","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209790","20.9095","0.0016","19.3423","0.0008","11.6313","0.0008","90","","119.1","0.01","90","","4110.3","0.6","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H11 Ag3 F6 O5 -","- C19 H11 Ag3 F6 O5 -","- C152 H88 Ag24 F48 O40 -","8","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0619","0.0484","","","0.1214","0.1298","","","","","","1.086","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209791","11.746","0.002","12.454","0.003","14.005","0.003","76.38","0.03","74.67","0.03","87.77","0.03","1919.7","0.8","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H16 Ag6 F15 N O12 -","- C27 H16 Ag6 F15 N O12 -","- C54 H32 Ag12 F30 N2 O24 -","2","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0594","0.0524","","","0.118","0.1226","","","","","","1.03","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209792","7.6485","0.0002","11.1943","0.0003","30.1822","0.0007","94.781","0.002","92.459","0.002","90.367","0.002","2572.7","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 Ag6 N2 O10 -","- C60 H44 Ag6 N2 O10 -","- C120 H88 Ag12 N4 O20 -","2","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0709","0.0542","","","0.1253","0.1351","","","","","","1.024","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209793","9.0069","0.0018","23.389","0.005","16.537","0.005","90","","118.56","0.02","90","","3059.8","1.4","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H11 Ag5 F12 O10 -","- C23 H11 Ag5 F12 O10 -","- C92 H44 Ag20 F48 O40 -","4","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0854","0.0727","","","0.1752","0.1855","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209794","32.536","0.006","11.67","0.002","26.226","0.005","90","","127.6","0.03","90","","7890","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 Ag5 F9 O10 -","- C36 H22 Ag5 F9 O10 -","- C288 H176 Ag40 F72 O80 -","8","1","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.1495","0.1255","","","0.4347","0.4614","","","","","","1.082","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209795","13.8833","0.0014","24.923","0.003","13.0817","0.0013","90","","114.308","0.002","90","","4125.2","0.8","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H54 Ag8 F18 N8 O14 -","- C82 H54 Ag8 F18 N8 O14 -","- C164 H108 Ag16 F36 N16 O28 -","2","0.5","","Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.","Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons","CrystEngComm","2013","15","20","4087","","10.1039/c3ce40230d","","","0.71073","MoKα","","0.0345","0.027","","","0.0645","0.0671","","","","","","1.003","","","","has coordinates,has disorder","180428","2020-10-21","18:00:00",""
"7209796","4.128","0.0004","29.664","0.003","8.02","0.0007","90","","101.296","0.009","90","","963.05","0.16","130","1","130","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 S -","- C4 H4 N2 S -","- C32 H32 N16 S8 -","8","2","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0686","0.0658","","","0.2012","0.2028","","","","","","1.147","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209797","8.0166","0.001","12.9113","0.0009","6.5423","0.0006","90","","90","","90","","677.16","0.11","295","2","295","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C4 H5 Cl N2 S -","- C4 H5 Cl N2 S -","- C16 H20 Cl4 N8 S4 -","4","0.25","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","0.71073","MoKα","","0.0377","0.0318","","","0.0848","0.0867","","","","","","1.138","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209798","14.0264","0.0006","4.6351","0.0002","10.5403","0.0005","90","","90","","90","","685.26","0.05","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C4 H5 Br N2 S -","- C4 H5 Br N2 S -","- C16 H20 Br4 N8 S4 -","4","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0346","0.0341","","","0.0969","0.0975","","","","","","1.115","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209799","11.5502","0.0003","8.6872","0.0004","13.6237","0.0006","90","","90","","90","","1366.99","0.09","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H5 Br N2 S -","- C4 H5 Br N2 S -","- C32 H40 Br8 N16 S8 -","8","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","1.5418","CuKα","","0.0244","0.0235","","","0.0632","0.0641","","","","","","1.069","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7209800","11.812","0.005","9.152","0.005","13.478","0.005","90","","90","","90","","1457","1.1","100","2","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H5 I N2 S -","- C4 H5 I N2 S -","- C32 H40 I8 N16 S8 -","8","1","","Owczarzak, Anita M.; Kourkoumelis, Nikolaos; Hadjikakou, Sotiris K.; Kubicki, Maciej","The impact of the anion size on the crystal packing in 2-mercaptopyrimidine halides; isostructurality and polymorphism","CrystEngComm","2013","15","18","3607","","10.1039/c3ce40240a","","","0.7107","MoKα","","0.0789","0.0439","","","0.0743","0.0841","","","","","","1.064","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209801","34.1862","0.0007","20.4477","0.0003","34.3172","0.001","90","","108.802","0.002","90","","22708.6","0.9","173","2","173","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C127.5 H128 As4 O4 V8 -","- C127.49 H127.98 As4 O4 V8 -","- C1019.92 H1023.84 As32 O32 V64 -","8","1","","Elschenbroich, Christoph; Lu, Feng; Harms, Klaus; Pietzonka, Clemens","Intermolecular hydrogen bonds directed tetramer and intramolecular electronic communication: paramagnetic di([5]trovacenyl)arsinous acid","CrystEngComm","2013","15","18","3525","","10.1039/c3ce40246k","","","0.71073","MoKα","","0.085","0.0442","","","0.0962","0.1076","","","","","","0.901","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209802","18.3107","0.0004","16.6058","0.0004","11.7604","0.0003","90","","99.501","0.002","90","","3526.86","0.15","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H48 Br2 Cu N4 O6 Si2 -","- C28 H48 Br2 Cu N4 O6 Si2 -","- C112 H192 Br8 Cu4 N16 O24 Si8 -","4","0.5","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.1027","0.0859","","","0.2753","0.2887","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209803","12.1935","0.0002","20.2551","0.0003","15.1134","0.0002","90","","97.944","0.001","90","","3696.9","0.1","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Br2 Cu N4 O2 S2 Si2 -","- C28 H40 Br2 Cu N4 O2 S2 Si2 -","- C112 H160 Br8 Cu4 N16 O8 S8 Si8 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.076","0.0457","","","0.0976","0.1033","","","","","","1.013","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209804","11.9663","0.0001","11.9663","0.0001","16.2923","0.0003","90","","90","","90","","2332.93","0.05","173","2","173","2","","","","","","","","8","P 43","P 4cw","78","","","","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C64 H104 Br8 Cu4 N8 O8 S8 Si4 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.051","0.0374","","","0.0709","0.076","","","","","","0.929","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209805","11.9456","0.0001","11.9456","0.0001","16.2905","0.0004","90","","90","","90","","2324.61","0.06","173","2","173","2","","","","","","","","8","P 41","P 4w","76","","","","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C16 H26 Br2 Cu N2 O2 S2 Si -","- C64 H104 Br8 Cu4 N8 O8 S8 Si4 -","4","1","","Moon, So Yun; Noh, Tae Hwan; Jung, Ok-Sang","Insight into the crystallization process: relationships between crystal structures and properties of copper(ii) coordination polymers containing dimethylbis(4-pyridyl)silane","CrystEngComm","2013","15","19","3854","","10.1039/c3ce40257f","","","0.71073","MoKα","","0.0736","0.0585","","","0.1426","0.1613","","","","","","0.999","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209806","8.0406","0.0012","22.942","0.003","11.6153","0.0015","90","","108.4","0.012","90","","2033.1","0.5","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 F8 I2 N4 O -","- C16 H8 F8 I2 N4 O -","- C64 H32 F32 I8 N16 O4 -","4","1","","Saccone, Marco; Cavallo, Gabriella; Metrangolo, Pierangelo; Pace, Andrea; Pibiri, Ivana; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Halogen bond directionality translates tecton geometry into self-assembled architecture geometry","CrystEngComm","2013","15","16","3102","","10.1039/c3ce40268a","","","0.71073","MoKα","","0.034","0.0242","","","0.0532","0.0573","","","","","","1.034","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209807","13.1606","0.0012","5.5451","0.0006","31.302","0.003","90","","91.877","0.01","90","","2283.1","0.4","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 F12 I2 N4 O -","- C18 H8 F12 I2 N4 O -","- C72 H32 F48 I8 N16 O4 -","4","1","","Saccone, Marco; Cavallo, Gabriella; Metrangolo, Pierangelo; Pace, Andrea; Pibiri, Ivana; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Halogen bond directionality translates tecton geometry into self-assembled architecture geometry","CrystEngComm","2013","15","16","3102","","10.1039/c3ce40268a","","","0.71073","MoKα","","0.0375","0.0327","","","0.0821","0.0841","","","","","","1.122","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209808","8.7813","0.0017","15.715","0.003","10.4219","0.0014","90","","97.572","0.013","90","","1425.7","0.4","291.15","","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu2 N6 S4 -","- C24 H30 Cu2 N6 S4 -","- C48 H60 Cu4 N12 S8 -","2","0.5","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.7107","MoKα","","0.0964","0.0631","","","0.1805","0.2154","","","","","","1.045","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209809","9.6447","0.0003","10.2793","0.0004","10.651","0.0003","90","","91.74","0.003","90","","1055.46","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cu N3 S2 -","- C8 H7 Cu N3 S2 -","- C32 H28 Cu4 N12 S8 -","4","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0668","0.0488","","","0.1093","0.1228","","","","","","0.947","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209810","10.2175","0.0003","11.0524","0.0004","10.7815","0.0003","90","","94.854","0.003","90","","1213.17","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 Cu N3 S2 -","- C10 H11 Cu N3 S2 -","- C40 H44 Cu4 N12 S8 -","4","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0515","0.0376","","","0.0849","0.0927","","","","","","1.037","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209811","8.4491","0.0004","14.2366","0.0005","10.4911","0.0004","90","","105.447","0.004","90","","1216.35","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cu2 N6 S4 -","- C20 H22 Cu2 N6 S4 -","- C40 H44 Cu4 N12 S8 -","2","0.5","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0786","0.0692","","","0.1781","0.1902","","","","","","1.075","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209812","11.659","0.0004","12.0484","0.0003","28.1225","0.0007","90","","90","","90","","3950.43","0.19","291","2","291.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H17 Cu2 N5 S3 -","- C17 H17 Cu2 N5 S3 -","- C136 H136 Cu16 N40 S24 -","8","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.7107","MoKα","","0.0667","0.0488","","","0.1218","0.1448","","","","","","1.076","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209813","11.0461","0.0015","10.8682","0.0014","11.0982","0.0015","90","","96.472","0.002","90","","1323.9","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 B0 Cu N3 O0 S2 -","- C11 H13 Cu N3 S2 -","- C44 H52 Cu4 N12 S8 -","4","1","","Li, Li; Yue, Jun-Ming; Qiao, Yong-Zhen; Niu, Yun-Yin; Hou, Hong-Wei","The side chain template effect in viologen on the formation of polypseudorotaxane architecture: six novel metal coordination polymers and their properties","CrystEngComm","2013","15","19","3835","","10.1039/c3ce40276b","","","0.71073","MoKα","","0.0474","0.0326","","","0.0742","0.0818","","","","","","1.022","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209814","6.8994","0.0004","3.8566","0.0002","31.2021","0.0019","90","","90.571","0.001","90","","830.19","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0379","0.0345","","","0.09","0.0921","","","","","","1.106","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209815","6.8823","0.0002","3.9043","0.0001","31.4618","0.0012","90","","90.077","0.003","90","","845.4","0.05","240","2","240","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0413","0.0319","","","0.0634","0.0651","","","","","","1.118","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209816","6.6422","0.0004","3.9472","0.0004","32.9","0.003","90","","95.552","0.007","90","","858.53","0.13","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Br O2 -","- C9 H7 Br O2 -","- C36 H28 Br4 O8 -","4","1","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0661","0.0389","","","0.081","0.0868","","","","","","1.041","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209817","11.318","0.0004","11.3592","0.0004","16.8666","0.0006","98.753","0.003","102.761","0.003","103.029","0.003","2013.34","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20.8 H18 Br2 O4.9 -","- C20.8 H18 Br2 O4.9 -","- C83.2 H72 Br8 O19.6 -","4","2","","Yates, Jane L. R.; Sparkes, Hazel A.","4-Bromo-trans-cinnamic acid: structural characterisation and crystallographic investigation into the solid state [2 + 2] cycloaddition reaction and temperature induced phase transition","CrystEngComm","2013","15","18","3547","","10.1039/c3ce40300a","","","0.71073","MoKα","","0.0629","0.0459","","","0.1095","0.1198","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7209818","8.1051","0.0003","7.1178","0.0003","12.2732","0.0005","90","","103.646","0.004","90","","688.06","0.05","298","2","298","2","","","","","","","Synthetic Product","6","P 1 21 1","P 2yb","4","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide","2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide","","- C14 H11 Cl N2 O4 S -","- C14 H11 Cl N2 O4 S -","- C28 H22 Cl2 N4 O8 S2 -","2","1","","Martins, Felipe T.; Bonfilio, Rudy; Rosa, Iara M. L.; Santos, Leandro M.; Santos, Olimpia M. M.; Araújo, Magali B.; Doriguetto, Antônio C.","The form II of the antihypertensive drug chlorthalidone","CrystEngComm","2013","15","19","3767","","10.1039/c3ce40303c","","","0.71073","MoKα","","0.0306","0.028","","","0.063","0.0645","","","","","","1.034","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209819","6.6796","0.0002","7.6493","0.0003","10.2128","0.0005","90","","90","","90","","521.82","0.04","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","2,3,5,6-tetrafluoropyridine","","","- C5 H F4 N -","- C5 H F4 N -","- C20 H4 F16 N4 -","4","0.5","","Stammler, Hans-Georg; Vishnevskiy, Yury V.; Sicking, Constantin; Mitzel, Norbert W.","Charge density studies on 2,3,5,6-tetrafluoro- and pentafluoropyridine","CrystEngComm","2013","15","18","3536","","10.1039/c3ce40332g","","","0.71073","MoKα","","0.041","0.0202","","","","0.0221","0.0184","","","","","2.106","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209820","10.8764","0.0007","10.2849","0.001","11.1336","0.0015","90","","116.979","0.005","90","","1109.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Pyridine, 2,3,4,5,6-pentafluoro-","","","- C5 F5 N -","- C5 F5 N -","- C40 F40 N8 -","8","2","","Stammler, Hans-Georg; Vishnevskiy, Yury V.; Sicking, Constantin; Mitzel, Norbert W.","Charge density studies on 2,3,5,6-tetrafluoro- and pentafluoropyridine","CrystEngComm","2013","15","18","3536","","10.1039/c3ce40332g","","","0.71073","MoKα","","0.066","0.0295","","","","0.0326","0.024","","","","","2.944","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209821","14.9116","0.0006","21.1567","0.0009","16.8197","0.0006","90","","110.715","0.001","90","","4963.2","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H51 Cu N6 O4 P2 -","- C55 H51 Cu N6 O4 P2 -","- C220 H204 Cu4 N24 O16 P8 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0922","0.0671","","","0.2002","0.2188","","","","","","1.088","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209822","11.7362","0.0002","12.7941","0.0003","13.0346","0.0003","79.994","0.001","85.875","0.001","74.651","0.0009","1857.99","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Cu F6 N8 O5 -","- C36 H30 Cu F6 N8 O5 -","- C72 H60 Cu2 F12 N16 O10 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0615","0.0575","","","0.1718","0.1762","","","","","","1.066","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209823","18.311","0.0007","15.5229","0.0006","13.5546","0.0009","90","","128.044","0.001","90","","3034.2","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Cl4 Cu2 N8 -","- C30 H24 Cl4 Cu2 N8 -","- C120 H96 Cl16 Cu8 N32 -","4","0.5","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0541","0.0407","","","0.1065","0.1117","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209824","9.4972","0.0004","18.641","0.0007","21.2437","0.0007","90","","90","","90","","3760.9","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H19 Cl2 Cu N5 O -","- C18 H19 Cl2 Cu N5 O -","- C144 H152 Cl16 Cu8 N40 O8 -","8","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0315","0.0266","","","0.0688","0.071","","","","","","1.063","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209825","11.113","0.0003","12.054","0.0003","20.2158","0.0005","90","","95.667","0.001","90","","2694.79","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag N9 O3 -","- C30 H24 Ag N9 O3 -","- C120 H96 Ag4 N36 O12 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0358","0.0273","","","0.0634","0.0663","","","","","","1.04","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209826","13.0088","0.0007","15.4845","0.0008","14.3809","0.0008","90","","106.056","0.002","90","","2783.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag N9 O3 -","- C30 H24 Ag N9 O3 -","- C120 H96 Ag4 N36 O12 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0538","0.0377","","","0.0928","0.1016","","","","","","1.049","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209827","8.3882","0.0015","14.56","0.003","15.502","0.003","71.291","0.004","89.483","0.005","80.025","0.004","1763.9","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H24 Ag2 F6 N8 O4 -","- C34 H24 Ag2 F5.97 N8 O4 -","- C68 H48 Ag4 F11.94 N16 O8 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0718","0.0504","","","0.159","0.1964","","","","","","1.037","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209828","12.1082","0.0003","12.1082","0.0003","24.2726","0.0007","90","","90","","90","","3558.57","0.16","173","2","173","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C17 H12 Ag F3 N4 O2 -","- C17 H12 Ag F3 N4 O2 -","- C136 H96 Ag8 F24 N32 O16 -","8","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0407","0.0354","","","0.0946","0.0993","","","","","","1.07","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209829","43.4103","0.0009","12.3013","0.0003","19.7415","0.0004","90","","112.011","0.001","90","","9773.6","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H27 Ag N8 O3 S -","- C31 H27 Ag N8 O3 S -","- C372 H324 Ag12 N96 O36 S12 -","12","1.5","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0989","0.0643","","","0.1459","0.21","","","","","","1.106","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209830","6.8541","0.0004","10.2636","0.0006","12.8115","0.0007","90.296","0.002","100.408","0.001","95.783","0.001","881.67","0.09","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Ag N4 O3 S -","- C16 H15 Ag N4 O3 S -","- C32 H30 Ag2 N8 O6 S2 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.03","0.0265","","","0.074","0.0765","","","","","","1.069","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209831","12.0012","0.0008","12.6108","0.0008","21.0839","0.0014","81.438","0.002","85.256","0.002","74.156","0.001","3032.5","0.3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H48 Ag2 F6 N16 O6 S2 -","- C62 H48 Ag2 F6 N16 O6 S2 -","- C124 H96 Ag4 F12 N32 O12 S4 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.1136","0.0634","","","0.148","0.1759","","","","","","1.018","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209832","11.3429","0.0003","12.3026","0.0004","20.4226","0.0006","90","","95.378","0.001","90","","2837.37","0.15","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag Cl N8 O4 -","- C30 H24 Ag Cl N8 O4 -","- C120 H96 Ag4 Cl4 N32 O16 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0534","0.0413","","","0.1092","0.1177","","","","","","1.041","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209833","11.323","0.0007","12.173","0.0008","20.4002","0.0013","90","","95.93","0.001","90","","2796.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Ag B F4 N8 -","- C30 H24 Ag B F4 N8 -","- C120 H96 Ag4 B4 F16 N32 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0376","0.0324","","","0.0842","0.0874","","","","","","1.057","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209834","10.5418","0.0006","10.6453","0.0007","10.6524","0.0006","67.967","0.001","71.49","0.002","78.281","0.002","1045.98","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Au2 Cl6 N4 -","- C15 H12 Au2 Cl6 N4 -","- C30 H24 Au4 Cl12 N8 -","2","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0319","0.0221","","","0.0418","0.0447","","","","","","1","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209835","7.9242","0.0007","15.9274","0.0012","20.1872","0.0016","90","","90","","90","","2547.9","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Au2 Cl6 N6 -","- C19 H18 Au2 Cl6 N6 -","- C76 H72 Au8 Cl24 N24 -","4","1","","Pettinari, Claudio; Marchetti, Fabio; Orbisaglia, Serena; Pettinari, Riccardo; Ngoune, Jean; Gómez, Margarita; Santos, Carina; Álvarez, Eleuterio","Group 11 complexes with the bidentate di(1H-indazol-1-yl)methane and di(2H-indazol-2-yl)methane) ligands","CrystEngComm","2013","15","19","3892","","10.1039/c3ce40355f","","","0.71073","MoKα","","0.0263","0.0239","","","0.0568","0.0577","","","","","","1.045","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209836","17.198","0.0008","5.0156","0.0002","27.3815","0.0015","90","","97.311","0.002","90","","2342.68","0.19","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Indomethacin Nicotinamide (1/1)","2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid Pyridine-3-carboxamide (1/1)","","- C25 H22 Cl N3 O5 -","- C25 H22 Cl N3 O5 -","- C100 H88 Cl4 N12 O20 -","4","1","","Majumder, Mridul; Buckton, Graham; Rawlinson-Malone, Clare F.; Williams, Adrian C.; Spillman, Mark J.; Pidcock, Elna; Shankland, Kenneth","Application of hydrogen-bond propensity calculations to an indomethacin‒nicotinamide (1 : 1) co-crystal","CrystEngComm","2013","15","20","4041","","10.1039/c3ce40367j","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209837","13.253","0.013","12.775","0.012","43.66","0.04","90","","93.319","0.012","90","","7380","12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C73 H120 N2 O16 -","- C73 H120 N2 O16 -","- C292 H480 N8 O64 -","4","1","","Kumari, Harshita; Zhang, Jin; Erra, Loredana; Barbour, Leonard J.; Deakyne, Carol A.; Atwood, Jerry L.","Cocrystals of gabapentin with C-alkylresorcin[4]arenes","CrystEngComm","2013","15","20","4045","","10.1039/c3ce40441b","","","0.71073","MoKα","","0.1493","0.0868","","","0.2262","0.2776","","","","","","1.015","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209838","15.554","0.006","17.839","0.007","20.092","0.008","104.263","0.005","92.785","0.005","91.068","0.005","5394","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H73 N O17.63 -","- C51 H73 N O17.6315 -","- C204 H292 N4 O70.526 -","4","2","","Kumari, Harshita; Zhang, Jin; Erra, Loredana; Barbour, Leonard J.; Deakyne, Carol A.; Atwood, Jerry L.","Cocrystals of gabapentin with C-alkylresorcin[4]arenes","CrystEngComm","2013","15","20","4045","","10.1039/c3ce40441b","","","0.71073","MoKα","","0.1274","0.0769","","","0.207","0.2482","","","","","","1.015","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209839","12.6185","0.0016","6.6178","0.0008","15.435","0.0019","90","","111.15","0.007","90","","1202.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","FvFe","vollhardt10","","- C14 H8 Fe2 O4 -","- C14 H8 Fe2 O4 -","- C56 H32 Fe8 O16 -","4","1","","Hou, Zongrui; Nguyen, Son C; Lomont, Justin P; Harris, Charles B; Vinokurov, Nikolai; Vollhardt, K Peter C","Switching from Ru to Fe: picosecond IR spectroscopic investigation of the potential of the (fulvalene)tetracarbonyldiiron frame for molecular solar-thermal storage.","Physical chemistry chemical physics : PCCP","2013","15","20","7466","7469","10.1039/c3cp51292d","","","0.71073","MoKα","","0.0875","0.0405","","","0.0648","0.0765","","","","","","1.026","","","","has coordinates","204147","2020-10-21","18:00:00",""
"7209840","7.4617","0.0015","7.5189","0.0018","9.84","0.002","109.76","0.02","90.103","0.017","90.706","0.018","519.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O S2 -","- C10 H8 N2 O S2 -","- C20 H16 N4 O2 S4 -","2","1","","Singh, Maya Shankar; Nagaraju, Anugula; Verma, Girijesh Kumar; Shukla, Gaurav; Verma, Rajiv Kumar; Srivastava, Abhijeet; Raghuvanshi, Keshav","Eco-efficient, regioselective and rapid access to 4,5-disubstituted 1,2,3-thiadiazoles via [3 + 2] cycloaddition of α-enolicdithioesters with tosyl azide under solvent-free conditions","Green Chemistry","2013","15","4","954","","10.1039/c3gc37047j","","","0.71073","MoKα","","0.0637","0.0426","","","0.0991","0.1154","","","","","","1.024","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7209841","8.0015","0.0006","8.1903","0.0006","9.1812","0.0006","85.565","0.005","75.327","0.006","86.509","0.006","579.79","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C11H10N2O2S2","","","- C11 H10 N2 O2 S2 -","- C11 H10 N2 O2 S2 -","- C22 H20 N4 O4 S4 -","2","1","","Singh, Maya Shankar; Nagaraju, Anugula; Verma, Girijesh Kumar; Shukla, Gaurav; Verma, Rajiv Kumar; Srivastava, Abhijeet; Raghuvanshi, Keshav","Eco-efficient, regioselective and rapid access to 4,5-disubstituted 1,2,3-thiadiazoles via [3 + 2] cycloaddition of α-enolicdithioesters with tosyl azide under solvent-free conditions","Green Chemistry","2013","15","4","954","","10.1039/c3gc37047j","","","0.71073","MoKα","","0.0678","0.0453","","","0.1078","0.1238","","","","","","1.016","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209842","9.5564","0.0013","16.83","0.002","7.9596","0.001","90","","98.532","0.001","90","","1266","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Shen, Shao-Chun; Sun, Xing-Wen; Lin, Guo-Qiang","An eco-benign and highly efficient access to 3-heterocyclic-substituted isoindolinones in ammonia water","Green Chemistry","2013","15","4","896","","10.1039/c3gc40162f","","","0.71073","MoKα","","0.056","0.0399","","","0.0983","0.11","","","","","","1.031","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209843","7.9448","0.0012","11.1929","0.0017","18","0.003","85.128","0.002","81.477","0.002","85.234","0.002","1573.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H38 Cd2 N4 O16 -","- C23 H34 Cd2 N4 O16 -","- C46 H68 Cd4 N8 O32 -","2","1","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.0881","0.0621","","","0.1599","0.1685","","","","","","1.132","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209844","7.9857","0.0008","17.5783","0.0017","16.1584","0.0016","90","","94.614","0.001","90","","2260.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 Cd N4 O8 -","- C20 H21 Cd N4 O8 -","- C80 H84 Cd4 N16 O32 -","4","1","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.042","0.0345","","","0.0683","0.0703","","","","","","1.122","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209845","8.506","0.007","10.573","0.009","20.792","0.018","78.711","0.015","79.649","0.015","88.877","0.015","1804","3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 Cd2 N6 O12 -","- C34 H38 Cd2 N6 O12 -","- C68 H76 Cd4 N12 O24 -","2","1","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.084","0.0583","","","0.1487","0.1625","","","","","","1.027","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209846","5.6991","0.0007","9.5878","0.0012","14.1723","0.0018","74.213","0.001","89.714","0.001","84.881","0.001","742.07","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Cd N6 O10 -","- C28 H34 Cd N6 O10 -","- C28 H34 Cd N6 O10 -","1","0.5","","Wilson, Julie A.; Uebler, Jacob W.; LaDuca, Robert L.","Cadmium adipate coordination polymers prepared with isomeric pyridylamide precursors: pH-dependent in situ reaction chemistry and divergent dimensionalities","CrystEngComm","2013","15","26","5218","","10.1039/c2ce26583d","","","0.71073","MoKα","","0.0257","0.0233","","","0.0467","0.0473","","","","","","1.013","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209847","8.1772","0.0012","16.157","0.002","3.6286","0.0005","90","","101.399","0.001","90","","469.95","0.11","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 O10 Pr -","- B3 Ca4 O10 Pr -","- B6 Ca8 O20 Pr2 -","2","0.5","","Yu, Fapeng; Zhang, Shujun; Cheng, Xiufeng; Duan, Xiulan; Ma, Tingfeng; Zhao, Xian","Crystal growth, structure and thermal properties of noncentrosymmetric single crystals PrCa4O(BO3)3","CrystEngComm","2013","15","26","5226","","10.1039/c3ce00024a","","","0.71073","MoKα","","0.0153","0.0152","","","0.0305","0.0305","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209848","17.222","0.003","21.526","0.004","26.316","0.009","90","","109.84","0.03","90","","9177","4","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H53 As2 Na6 Ni4 O83.5 Ru3 W17 -","- C18 H18 As2 Na4 Ni4 O83.5 Ru3 W17 -","- C72 H72 As8 Na16 Ni16 O334 Ru12 W68 -","4","1","","Meng, Rui-Qi; Suo, Lin; Hou, Guang-Feng; Liang, Jing; Bi, Li-Hua; Li, Hao-Long; Wu, Li-Xin","Organo-Ru supported sandwich-type tungstoarsenates: synthesis, structure and catalytic properties","CrystEngComm","2013","15","29","5867","","10.1039/c3ce00045a","","","0.71073","MoKα","","0.1115","0.0653","","","0.1252","0.1425","","","","","","1.05","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7209849","17.345","0.004","21.607","0.004","26.322","0.005","90","","110.05","0.02","90","","9267","3","293","2","293","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C18 H56 As2 K1.5 Na4.5 O84.5 Ru3 W17 Zn4 -","- C18 H18 As2 K1.5 Na4.5 O85.5 Ru3 W17 Zn4 -","- C72 H72 As8 K6 Na18 O342 Ru12 W68 Zn16 -","4","1","","Meng, Rui-Qi; Suo, Lin; Hou, Guang-Feng; Liang, Jing; Bi, Li-Hua; Li, Hao-Long; Wu, Li-Xin","Organo-Ru supported sandwich-type tungstoarsenates: synthesis, structure and catalytic properties","CrystEngComm","2013","15","29","5867","","10.1039/c3ce00045a","","","0.71073","MoKα","","0.0878","0.0547","","","0.1121","0.1247","","","","","","1.021","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7209850","7.1312","0.0012","9.5963","0.0016","12.431","0.002","100.546","0.002","98.09","0.002","95.025","0.002","822.4","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl Er N2 O14 -","- C9 H16 Cl Er N2 O14 -","- C18 H32 Cl2 Er2 N4 O28 -","2","1","","Hong, Xu-Jia; Wang, Ming-Fang; Jin, Hong-Guang; Zhan, Qing-Guang; Liu, Yi-Ting; Jia, Hong-Yang; Liu, Xiang; Cai, Yue-Peng","Single-crystal to single-crystal transformation from a 1-D chain-like structure to a 2-D coordination polymer on heating","CrystEngComm","2013","15","28","5606","","10.1039/c3ce00060e","","","0.71073","MoKα","","0.0298","0.0283","","","0.0756","0.0764","","","","","","1.043","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209851","6.8722","0.0009","7.8857","0.0011","10.9592","0.0015","101.529","0.002","106.681","0.002","95.551","0.002","549.87","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H4 Cl Er N2 O8 -","- C9 H4 Cl Er N2 O8 -","- C18 H8 Cl2 Er2 N4 O16 -","2","1","","Hong, Xu-Jia; Wang, Ming-Fang; Jin, Hong-Guang; Zhan, Qing-Guang; Liu, Yi-Ting; Jia, Hong-Yang; Liu, Xiang; Cai, Yue-Peng","Single-crystal to single-crystal transformation from a 1-D chain-like structure to a 2-D coordination polymer on heating","CrystEngComm","2013","15","28","5606","","10.1039/c3ce00060e","","","0.71073","MoKα","","0.0259","0.0241","","","0.0584","0.0594","","","","","","1.021","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209852","7.044","","10.511","","9.693","","90","","106.24","","90","","689.029","","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C10 H6 Cl2 Cu2 N4 O4 -","- C10 H6 Cl2 Cu2 N4 O4 -","- C20 H12 Cl4 Cu4 N8 O8 -","2","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1202","0.0942","","","0.2265","0.2602","","","","","","1.048","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209853","11.545","0.007","7.765","0.005","14.669","0.009","90","","95.146","0.008","90","","1309.7","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl Cu2 N4 O5 -","- C10 H8 Cl Cu2 N4 O5 -","- C40 H32 Cl4 Cu8 N16 O20 -","4","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1617","0.1278","","","0.2654","0.2857","","","","","","0.984","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209854","7.6664","0.0016","31.951","0.007","15.481","0.003","90","","90","","90","","3792.1","1.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C10 H10 Cu3 I2 N4 O6 -","- C10 H10 Cu3 I2 N4 O6 -","- C80 H80 Cu24 I16 N32 O48 -","8","1","","Wen, Zhen-Zhen; Wen, Xi-Ling; Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","The construction of Cu(i)/Cu(ii) coordination polymers based on pyrazine‒carboxylate: Structural diversity tuned by in situ hydrolysis reaction","CrystEngComm","2013","15","26","5359","","10.1039/c3ce26817a","","","0.71073","MoKα","","0.1308","0.0867","","","0.1536","0.1696","","","","","","1.087","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209855","10.2783","0.0007","9.3993","0.0007","17.5516","0.0012","90","","103.055","0.001","90","","1651.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Cd N6 O5 -","- C14 H9 Cd N6 O5 -","- C56 H36 Cd4 N24 O20 -","4","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0301","0.0258","","","0.0894","0.1047","","","","","","1.008","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209856","23.6066","0.0015","10.0599","0.0006","17.7135","0.0011","90","","124.836","0.001","90","","3452.7","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cd N6 O6 -","- C14 H9 Cd N6 O6 -","- C112 H72 Cd8 N48 O48 -","8","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0401","0.0307","","","0.1122","0.144","","","","","","1.015","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209857","6.9138","0.0009","17.721","0.002","15.812","0.002","90","","100.216","0.002","90","","1906.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 Cd N6 O5 -","- C19 H14 Cd N6 O5 -","- C76 H56 Cd4 N24 O20 -","4","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0274","0.0235","","","0.0783","0.0908","","","","","","1.003","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209858","7.6227","0.0004","10.5639","0.0005","12.0613","0.0006","68.254","0.001","84.76","0.001","76.642","0.001","877.7","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 Cd N6 O7 -","- C15 H9 Cd N6 O7 -","- C30 H18 Cd2 N12 O14 -","2","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0322","0.0265","","","0.0875","0.1133","","","","","","1.038","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209859","17.9451","0.0011","8.3941","0.0005","19.5874","0.0012","90","","90","","90","","2950.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H9 N6 O4 Zn -","- C15 H9 N6 O4 Zn -","- C120 H72 N48 O32 Zn8 -","8","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0476","0.0297","","","0.1041","0.1383","","","","","","1.098","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209860","12.8475","0.001","19.5073","0.0015","17.9838","0.0013","90","","95.312","0.001","90","","4487.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H27 N18 O12 Zn3 -","- C45 H27 N18 O12 Zn3 -","- C180 H108 N72 O48 Zn12 -","4","1","","Chen, Shui-Sheng; Qiao, Rui; Sheng, Liang-Quan; Zhao, Yue; Yang, Song; Chen, Ming-Ming; Liu, Zhao-Di; Wang, Dei-Hai","Cadmium(ii) and zinc(ii) complexes with rigid 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene and varied carboxylate ligands","CrystEngComm","2013","15","28","5713","","10.1039/c3ce40150b","","","0.71073","MoKα","","0.0734","0.0395","","","0.108","0.137","","","","","","1.037","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209861","10.5471","0.0005","11.3694","0.0006","12.8451","0.0007","105.556","0.001","102.637","0.001","101.969","0.001","1388.74","0.13","191","2","191","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 Gd2 N8 O12 -","- C60 H66 Gd2 N8 O12 -","- C60 H66 Gd2 N8 O12 -","1","0.5","","Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui","Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative","CrystEngComm","2013","15","26","5301","","10.1039/c3ce40153g","","","0.71073","MoKα","","0.0336","0.0288","","","0.0667","0.0697","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209862","10.5341","0.0004","11.3689","0.0005","12.817","0.0006","105.56","0.001","102.874","0.001","101.815","0.001","1383.19","0.1","191","2","191","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H66 N8 O12 Tb2 -","- C60 H66 N8 O12 Tb2 -","- C60 H66 N8 O12 Tb2 -","1","0.5","","Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui","Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative","CrystEngComm","2013","15","26","5301","","10.1039/c3ce40153g","","","0.71073","MoKα","","0.0359","0.03","","","0.0666","0.0698","","","","","","1.054","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209863","12.2399","0.0005","18.9948","0.0008","14.4502","0.0006","90","","95.78","0.001","90","","3342.5","0.2","191","2","191","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H78 Dy2 N12 O12 -","- C68 H78 Dy2 N12 O12 -","- C136 H156 Dy4 N24 O24 -","2","0.5","","Zhao, Lang; Wu, Jianfeng; Ke, Hongshan; Tang, Jinkui","Three dinuclear lanthanide(iii) compounds of a polydentate Schiff base ligand: Slow magnetic relaxation behaviour of the DyIII derivative","CrystEngComm","2013","15","26","5301","","10.1039/c3ce40153g","","","0.71073","MoKα","","0.0294","0.0233","","","0.0594","0.0623","","","","","","1.107","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209864","12.34","0.003","7.8967","0.0015","14.187","0.003","90","","100.414","0.003","90","","1359.7","0.5","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","? 4-(2-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0488","0.0359","","","0.0887","0.0959","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209865","7.705","0.018","7.191","0.018","12.34","0.03","90","","92.39","0.07","90","","683","3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","? 4-(3-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C28 H18 Cl2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0845","0.0697","","","0.1752","0.1845","","","","","","1.088","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209866","10.8467","0.0015","14.129","0.002","26.79","0.004","90","","90","","90","","4105.6","1","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","? 4-(4-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C168 H108 Cl12 N48 O24 -","12","3","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0859","0.0449","","","0.0761","0.0883","","","","","","1.026","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209867","12.448","0.004","6.999","0.002","15.083","0.004","90","","95.273","0.006","90","","1308.5","0.7","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","? 4-(2-Chlorophenyl)-1-(3-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.1069","0.0844","","","0.1507","0.1596","","","","","","1.243","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7209868","7.08","0.002","8.369","0.002","13.026","0.004","102.628","0.004","94.538","0.005","114.741","0.004","671.2","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","? 4-(3-Chlorophenyl)-1-(3-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C28 H18 Cl2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.1067","0.0821","","","0.1925","0.205","","","","","","1.167","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209869","8.55","0.005","5.256","0.003","29.749","0.018","90","","96.543","0.01","90","","1328.2","1.4","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","? 4-(3-Chlorophenyl)-1-(4-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0993","0.0649","","","0.1399","0.1594","","","","","","1.043","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209870","7.013","0.004","7.312","0.004","13.309","0.007","94.793","0.008","96.114","0.008","107.261","0.008","643.2","0.6","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","? 4-(4-Chlorophenyl)-1-(2-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C28 H18 Cl2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0634","0.0527","","","0.1434","0.1507","","","","","","1.07","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209871","7.587","0.008","13.601","0.014","13.338","0.013","90","","91.266","0.017","90","","1376","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","? 4-(4-Chlorophenyl)-1-(3-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.1394","0.1","","","0.247","0.2781","","","","","","1.024","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209872","7.954","0.007","13.263","0.011","12.684","0.011","90","","94.559","0.014","90","","1334","2","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","? 4-(4-Chlorophenyl)-1-(4-nitrophenyl)-1H-1,2,3-triazole","","- C14 H9 Cl N4 O2 -","- C14 H9 Cl N4 O2 -","- C56 H36 Cl4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0637","0.0497","","","0.1148","0.1242","","","","","","1.04","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209873","5.4744","0.0014","11.366","0.003","11.235","0.003","90","","93.816","0.004","90","","697.5","0.3","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C28 H18 I2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0296","0.0293","","","0.0743","0.0749","","","","","","1.043","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209874","9.4462","0.0015","7.2925","0.0011","20.875","0.003","90","","96.379","0.002","90","","1429.1","0.4","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0343","0.0316","","","0.0806","0.0828","","","","","","1.052","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209875","5.431","0.002","21.767","0.009","12.162","0.005","90","","101.372","0.007","90","","1409.5","1","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.039","0.037","","","0.0934","0.0952","","","","","","1.078","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209876","8.945","0.0014","15.147","0.002","10.2164","0.0017","90","","92.321","0.003","90","","1383.1","0.4","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0334","0.0302","","","0.0781","0.0805","","","","","","1.029","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209877","8.566","0.004","8.694","0.004","10.011","0.005","85.508","0.007","71.441","0.007","72.559","0.007","674.2","0.6","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C28 H18 I2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0335","0.0314","","","0.0769","0.0781","","","","","","1.089","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209878","7.587","0.004","8.31","0.004","12.755","0.006","95.053","0.007","100.946","0.007","116.761","0.007","691","0.6","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C28 H18 I2 N8 O4 -","2","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0477","0.0427","","","0.0991","0.1014","","","","","","1.138","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209879","7.1884","0.0008","11.985","0.0013","16.2685","0.0017","90","","96.66","0.002","90","","1392.1","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0418","0.0345","","","0.0776","0.0812","","","","","","1.15","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209880","7.8521","0.0011","7.089","0.001","24.5","0.003","90","","90.151","0.002","90","","1363.8","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C56 H36 I4 N16 O8 -","4","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0296","0.0281","","","0.0662","0.0672","","","","","","1.172","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209881","27.638","0.006","5.5912","0.0013","17.974","0.004","90","","96.932","0.006","90","","2757.2","1.1","190","2","190","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 I N4 O2 -","- C14 H9 I N4 O2 -","- C112 H72 I8 N32 O16 -","8","1","","Ramana, C. V.; Goriya, Yogesh; Durugkar, Kulbhushan A.; Chatterjee, Soumitra; Krishnaswamy, Shobhana; Gonnade, Rajesh G.","Evaluation of viability of halogen⋯O2N interactions: Insight from crystal packing in a series of isomeric halo and nitro substituted triaryl compounds with modular positioning of halogen and NO2 groups","CrystEngComm","2013","15","26","5283","","10.1039/c3ce40192h","","","0.71073","MoKα","","0.0423","0.0338","","","0.0757","0.0884","","","","","","1.127","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209882","8.691","0.0004","12.9024","0.0007","14.6057","0.0008","90","","90","","90","","1637.81","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Co N4 S2 -","- C14 H14 Co N4 S2 -","- C56 H56 Co4 N16 S8 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0519","0.0353","","","0.0798","0.0875","","","","","","1.048","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209883","8.7299","0.0005","12.9","0.0006","14.6546","0.0006","90","","90","","90","","1650.34","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N4 S2 Zn -","- C14 H14 N4 S2 Zn -","- C56 H56 N16 S8 Zn4 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0602","0.0418","","","0.079","0.0847","","","","","","1.069","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209884","11.3517","0.0007","9.6554","0.0005","15.5866","0.0008","90","","90","","90","","1708.37","0.16","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Br2 Co N4 S2 -","- C12 H8 Br2 Co N4 S2 -","- C48 H32 Br8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.065","0.0515","","","0.1182","0.1265","","","","","","1.054","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209885","11.3675","0.0003","9.7875","0.0003","15.6246","0.0007","90","","90","","90","","1738.38","0.1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Br2 N4 S2 Zn -","- C12 H8 Br2 N4 S2 Zn -","- C48 H32 Br8 N16 S8 Zn4 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0584","0.0499","","","0.0887","0.0917","","","","","","1.327","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209886","8.6064","0.0002","12.7726","0.0003","14.6199","0.0004","90","","90","","90","","1607.11","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0322","0.0291","","","0.0629","0.064","","","","","","1.111","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209887","11.2928","0.0007","9.7123","0.0005","15.1913","0.0008","90","","90","","90","","1666.17","0.16","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0398","0.0312","","","0.0754","0.0799","","","","","","1.036","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209888","8.6264","0.0004","12.7738","0.0004","14.6614","0.0004","90","","90","","90","","1615.57","0.1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cl2 N4 S2 Zn -","- C12 H8 Cl2 N4 S2 Zn -","- C48 H32 Cl8 N16 S8 Zn4 -","4","1","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.033","0.0283","","","0.0618","0.0637","","","","","","1.037","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209889","11.3237","0.0004","9.7997","0.0003","15.2661","0.0006","90","","90","","90","","1694.06","0.1","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 N4 S2 Zn -","- C12 H8 Cl2 N4 S2 Zn -","- C48 H32 Cl8 N16 S8 Zn4 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0424","0.0376","","","0.0867","0.0891","","","","","","1.166","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209890","11.357","0.0008","9.7125","0.0005","15.391","0.0012","90","","90","","90","","1697.7","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H8 Cl2 Co N4 S2 -","- C12 H8 Cl2 Co N4 S2 -","- C48 H32 Cl8 Co4 N16 S8 -","4","0.5","","Wöhlert, Susanne; Jess, Inke; Englert, Ulli; Näther, Christian","Synthesis and crystal structures of Zn(ii) and Co(ii) coordination compounds with ortho substituted pyridine ligands: two structure types and polymorphism in the region of their coexistence","CrystEngComm","2013","15","26","5326","","10.1039/c3ce40208h","","","0.71073","MoKα","","0.0685","0.0507","","","0.0921","0.0986","","","","","","1.186","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209891","11.138","0.006","11.333","0.006","15.819","0.008","102.563","0.002","109.028","0.005","99.004","0.005","1785.6","1.6","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","- C52 H72 N2 Ni2 O14 S20 -","2","2","","Ye, Qiong; Shi, Ping-Ping; Fu, Xue-Qun; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Dielectric and structural phase transition of [Ni(dmit)2]− salt with (4-ethoxyanilinium)([18]crown-6) supramolecular cation","CrystEngComm","2013","15","26","5307","","10.1039/c3ce40220g","","","0.71073","MoKα","","0.0519","0.0411","","","0.1155","0.1343","","","","","","0.869","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209892","8.752","0.004","10.936","0.007","11.13","0.007","84.99","0.03","67.779","0.018","70.16","0.02","926.6","0.9","300","2","300","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","- C26 H36 N Ni O7 S10 -","1","1","","Ye, Qiong; Shi, Ping-Ping; Fu, Xue-Qun; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Dielectric and structural phase transition of [Ni(dmit)2]− salt with (4-ethoxyanilinium)([18]crown-6) supramolecular cation","CrystEngComm","2013","15","26","5307","","10.1039/c3ce40220g","","","0.71073","MoKα","","0.0754","0.0419","","","0.0961","0.1318","","","","","","0.97","","","","has coordinates,has disorder","180429","2020-10-21","18:00:00",""
"7209893","10.0145","0.0004","8.8239","0.0003","13.7249","0.0008","90","","90","","90","","1212.83","0.1","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H13 Cl2 N3 -","- C11 H13 Cl2 N3 -","- C44 H52 Cl8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0471","0.0383","","","0.079","0.0837","","","","","","1.031","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209894","10.0153","0.0005","9.8465","0.0005","12.7219","0.0006","90","","100.535","0.005","90","","1233.43","0.11","275","2","275","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl2 N3 -","- C11 H13 Cl2 N3 -","- C44 H52 Cl8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0697","0.0446","","","0.0952","0.113","","","","","","1.046","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209895","8.9165","0.0005","13.8016","0.0008","10.3354","0.0004","90","","102.248","0.005","90","","1242.94","0.11","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 Cl2 N3 -","- C11 H13 Cl2 N3 -","- C44 H52 Cl8 N12 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0832","0.0629","","","0.1032","0.1254","","","","","","1.024","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209896","9.4912","0.0006","14.474","0.0008","10.4976","0.001","90","","104.455","0.008","90","","1396.46","0.18","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N5 O6 -","- C11 H13 N5 O6 -","- C44 H52 N20 O24 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0743","0.0626","","","0.1168","0.139","","","","","","1.025","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209897","5.6882","0.0011","7.1254","0.001","18.859","0.003","93.019","0.012","93.569","0.014","112.646","0.015","701.6","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 N5 O6 -","- C11 H13 N5 O6 -","- C22 H26 N10 O12 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0975","0.0614","","","0.1457","0.1663","","","","","","1.018","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209898","9.3186","0.0019","13.311","0.003","11.444","0.002","90","","95.92","0.03","90","","1411.9","0.5","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N5 O6 -","- C11 H13 N5 O6 -","- C44 H52 N20 O24 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.092","0.0456","","","0.1178","0.1601","","","","","","1.088","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209899","6.2576","0.0013","14.176","0.003","9.4606","0.0019","90","","107.55","0.03","90","","800.2","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C22 H26 Cl4 N6 O16 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0952","0.0623","","","0.1382","0.1542","","","","","","1.034","","","","has coordinates","180429","2020-10-21","18:00:00",""
"7209900","14.059","0.003","5.0058","0.001","21.608","0.004","90","","95.23","0.03","90","","1514.4","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C44 H52 Cl8 N12 O32 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0874","0.065","","","0.1848","0.2053","","","","","","1.097","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209901","6.0703","0.0013","14.175","0.003","9.5289","0.0019","90","","105.04","0.03","90","","791.8","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Cl2 N3 O8 -","- C11 H13 Cl2 N3 O8 -","- C22 H26 Cl4 N6 O16 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0991","0.0638","","","0.1525","0.1774","","","","","","1.026","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209902","10.083","0.0004","13.1064","0.0005","23.2914","0.0013","90","","103.232","0.004","90","","2996.3","0.2","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 F6 N3 P -","- C11 H12 F6 N3 P -","- C88 H96 F48 N24 P8 -","8","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0799","0.0539","","","0.1519","0.166","","","","","","1.053","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209903","7.3681","0.0015","12.231","0.002","15.253","0.003","90","","98.31","0.03","90","","1360.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 F6 N3 P -","- C11 H12 F6 N3 P -","- C44 H48 F24 N12 P4 -","4","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.0881","0.0681","","","0.2058","0.2261","","","","","","1.078","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209904","6.3859","0.0002","13.0144","0.0005","18.0253","0.0007","90","","98.581","0.004","90","","1481.29","0.09","295","2","295","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C22 H25 F18 N6 P3 -","- C22 H25 F18 N6 P3 -","- C44 H50 F36 N12 P6 -","2","1","","Zhang, Zhu-Yan; Deng, Zhao-Peng; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Inorganic anion induced supramolecular architectures of flexible unsymmetrical bis(pyridyl) ionic salts mediated by various non-covalent interactions","CrystEngComm","2013","15","26","5261","","10.1039/c3ce40227d","","","0.71073","MoKα","","0.074","0.0508","","","0.1329","0.1538","","","","","","1.006","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209905","8.16","0.003","22.912","0.008","10.715","0.004","90","","102.583","0.005","90","","1955.2","1.2","296","2","296","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C5 H40 Mo6 N Na2 O42 P3 -","- C5 H8 Mo6 N Na2 O42 P3 -","- C10 H16 Mo12 N2 Na4 O84 P6 -","2","0.5","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Self-assembly of two ring-shaped hexanuclear Mo(vi) clusters","CrystEngComm","2013","15","27","5452","","10.1039/c3ce40228b","","","0.71073","MoKα","","0.0689","0.0552","","","0.1485","0.1565","","","","","","1.006","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209906","13.636","0.005","17.391","0.006","20.271","0.008","74.282","0.007","81.167","0.007","78.259","0.007","4506","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H68 Mn2 Mo12 N6 Na4 O78 P6 -","- C8 H16 Mn2 Mo12 N6 Na4 O78 P6 -","- C16 H32 Mn4 Mo24 N12 Na8 O156 P12 -","2","1","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Self-assembly of two ring-shaped hexanuclear Mo(vi) clusters","CrystEngComm","2013","15","27","5452","","10.1039/c3ce40228b","","","0.71073","MoKα","","0.1479","0.07","","","0.1616","0.1841","","","","","","1.037","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209907","7.7424","0.0003","10.6628","0.0006","12.8135","0.0004","112.188","0.004","93.106","0.003","104.943","0.004","932.69","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 La N O12 -","- C14 H17 La N O12 -","- C28 H34 La2 N2 O24 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0339","0.0299","","","0.0624","0.0646","","","","","","1.039","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209908","10.2113","0.0005","12.0766","0.0007","12.9701","0.0007","74.784","0.005","76.254","0.005","71.416","0.005","1442.02","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Er2 N2 O17 -","- C28 H20 Er2 N2 O17 -","- C56 H40 Er4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0618","0.0448","","","0.0887","0.097","","","","","","0.999","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209909","10.1999","0.001","12.0085","0.0012","12.9253","0.001","74.968","0.008","76.328","0.008","71.456","0.009","1429","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Yb2 -","- C28 H20 N2 O17 Yb2 -","- C56 H40 N4 O34 Yb4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0339","0.0256","","","0.0541","0.0568","","","","","","1.002","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209910","7.7062","0.0006","10.6544","0.0006","12.7524","0.0012","112.492","0.007","93.296","0.007","104.776","0.006","921.2","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17 Ce N O12 -","- C14 H17 Ce N O12 -","- C28 H34 Ce2 N2 O24 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.029","0.0265","","","0.0632","0.0645","","","","","","1.059","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209911","10.1992","0.0006","12.4966","0.0005","13.2905","0.0007","72.375","0.004","73.51","0.005","69.764","0.005","1484.08","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Pr2 -","- C28 H20 N2 O17 Pr2 -","- C56 H40 N4 O34 Pr4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0378","0.0317","","","0.0719","0.0758","","","","","","1.041","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209912","10.1782","0.001","12.457","0.0012","13.2659","0.0013","72.476","0.009","73.363","0.009","69.928","0.009","1474.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 Nd2 O17 -","- C28 H20 N2 Nd2 O17 -","- C56 H40 N4 Nd4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0353","0.0286","","","0.0643","0.0672","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209913","10.1638","0.0004","12.3381","0.0005","13.1801","0.0007","73.301","0.004","74.382","0.004","70.393","0.004","1463.71","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Sm2 -","- C28 H20 N2 O17 Sm2 -","- C56 H40 N4 O34 Sm4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0489","0.0375","","","0.0726","0.077","","","","","","1.038","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209914","10.1851","0.0009","12.2709","0.0012","13.1055","0.0017","73.633","0.01","75.226","0.009","70.826","0.008","1460.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Eu2 N2 O17 -","- C28 H20 Eu2 N2 O17 -","- C56 H40 Eu4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0387","0.0286","","","0.0614","0.0646","","","","","","1.036","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209915","10.2255","0.0007","12.2071","0.0007","13.0585","0.001","74.105","0.006","75.466","0.006","71.01","0.006","1458.71","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Gd2 N2 O17 -","- C28 H20 Gd2 N2 O17 -","- C56 H40 Gd4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0493","0.035","","","0.0615","0.0658","","","","","","1.014","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209916","10.2253","0.0005","12.1473","0.0006","13.0025","0.0006","74.69","0.004","75.995","0.004","71.226","0.004","1452.88","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O17 Tb2 -","- C28 H20 N2 O17 Tb2 -","- C56 H40 N4 O34 Tb4 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0387","0.0317","","","0.0733","0.0764","","","","","","1.092","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209917","10.223","0.0004","12.1165","0.0005","12.9755","0.0005","74.697","0.003","76.106","0.003","71.311","0.004","1447.07","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Dy2 N2 O17 -","- C28 H20 Dy2 N2 O17 -","- C56 H40 Dy4 N4 O34 -","2","1","","Sun, Xiao-Li; Shen, Bing-Xue; Zang, Shuang-Quan; Du, Chen-Xia","Effect of lanthanide contraction on crystal structures of Ln(iii) coordination polymers with dinuclear SBUs based on 3-(4-hydroxypyridinium-1-yl) phthalic acid and oxalic acid","CrystEngComm","2013","15","29","5910","","10.1039/c3ce40236c","","","0.71073","MoKα","","0.0447","0.0325","","","0.0603","0.0642","","","","","","1.023","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209918","10.2863","0.0003","4.1579","0.0001","16.339","0.0005","90","","98.83","0.003","90","","690.53","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B La Mo O6 -","- B La Mo O6 -","- B6 La6 Mo6 O36 -","6","3","","Yu, Yan; Li, Lingyun; Lin, Zhoubin; Wang, Guofu","Growth, structure and optical properties of a nonlinear optical crystal α-LaBMoO6","CrystEngComm","2013","15","26","5245","","10.1039/c3ce40364e","","","0.71073","MoKα","","0.0382","0.03","","","0.0707","0.079","","","","","","0.999","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209919","8.1571","0.001","14.7919","0.0018","20.877","0.003","108.625","0.002","95.964","0.002","98.671","0.002","2328.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 Co4 N4 O14 -","- C54 H34 Co4 N4 O14 -","- C108 H68 Co8 N8 O28 -","2","1","","Liu, Bo; Liu, Bin; Pang, Lingyan; Yang, Guoping; Cui, Lin; Wang, Yao-Yu; Shi, Qizhen","Unprecedented 1D alternate Co5 chain and discrete Co3 unit embedded in a 3D framework exhibiting slow magnetic relaxation behaviour","CrystEngComm","2013","15","26","5205","","10.1039/c3ce40373d","","","0.71073","MoKα","","0.0902","0.0537","","","0.1325","0.1612","","","","","","0.99","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209920","20.5909","0.0004","20.5909","0.0004","28.3082","0.0009","90","","90","","120","","10394.3","0.4","293","2","293","2","","","","","","","","6","P 65","P 65","170","","","","- C63 H72 Cd3 K3 N3 O30 -","- C63 H72 Cd3 K3 N3 O30 -","- C378 H432 Cd18 K18 N18 O180 -","6","1","","Liu, Yuecheng; Zhang, Huabin; Tian, Chongbin; Lin, Ping; Du, Shaowu","Interweaving of two enantiomorphic 3D Cd(ii)/K(i) coordination polymers with homochiral unequal triple concentric helical chains","CrystEngComm","2013","15","26","5201","","10.1039/c3ce40397a","","","0.71073","MoKα","","","0.0308","","","0.0734","0.0746","","","","","","1.072","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209921","20.609","0.003","20.609","0.003","28.314","0.004","90","","90","","120","","10415","3","293","2","293","2","","","","","","","","6","P 61","P 61","169","","","","- C63 H72 Cd3 K3 N3 O30 -","- C63 H72 Cd3 K3 N3 O30 -","- C378 H432 Cd18 K18 N18 O180 -","6","1","","Liu, Yuecheng; Zhang, Huabin; Tian, Chongbin; Lin, Ping; Du, Shaowu","Interweaving of two enantiomorphic 3D Cd(ii)/K(i) coordination polymers with homochiral unequal triple concentric helical chains","CrystEngComm","2013","15","26","5201","","10.1039/c3ce40397a","","","0.71073","MoKα","","","0.0704","","","0.1639","0.1652","","","","","","1.106","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209922","10.5251","0.0007","11.6823","0.0007","15.5758","0.0008","110.077","0.003","92.702","0.004","109.083","0.004","1672.3","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H25 Cd2 N8 O6 -","- C37 H25 Cd2 N8 O6 -","- C74 H50 Cd4 N16 O12 -","2","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Yu, Jie-Hui; Xu, Ji-Qing","Oxalate-extended Cd2±-acylhydrazidate coordination polymers: synthesis, structure and fluorescence property","CrystEngComm","2013","15","29","5919","","10.1039/c3ce40416a","","","0.71073","MoKα","","0.033","0.0259","","","0.0667","0.0723","","","","","","1.034","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209923","14.326","0.003","17.238","0.003","7.4095","0.0015","90","","97.4","0.03","90","","1814.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Cd2 N6 O8 -","- C16 H8 Cd2 N6 O9 -","- C64 H32 Cd8 N24 O36 -","4","1","","Jin, Juan; Bai, Fu-Quan; Jia, Ming-Jun; Yu, Jie-Hui; Xu, Ji-Qing","Oxalate-extended Cd2±-acylhydrazidate coordination polymers: synthesis, structure and fluorescence property","CrystEngComm","2013","15","29","5919","","10.1039/c3ce40416a","","","0.71073","MoKα","","0.0431","0.0361","","","0.0866","0.093","","","","","","1.004","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209924","13.9731","0.0004","26.4604","0.0007","19.5809","0.0006","90","","90","","90","","7239.7","0.4","100.1","","100.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H18 La2 O51 S12 -","- C36 H18 La2 O51 S12 -","- C144 H72 La8 O204 S48 -","4","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0455","","","","0.1257","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209925","13.916","0.0008","26.5308","0.0013","19.3049","0.0011","90","","90","","90","","7127.4","0.7","110.1","","110.1","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C36 H18 Ce2 O47 S12 -","- C36 H18 Ce2 O47 S12 -","- C144 H72 Ce8 O188 S48 -","4","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0722","","","","0.2427","","","","","","1.126","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209926","15.5737","0.0006","12.2953","0.0005","20.6509","0.0008","90","","110.621","0.0011","90","","3701","0.3","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H74 Eu2 O56 S12 -","- C36 H74 Eu2 O56 S12 -","- C72 H148 Eu4 O112 S24 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.027","","","","0.068","","","","","","1.021","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209927","14.9888","0.0007","12.4793","0.0006","20.4181","0.001","90","","109.189","0.0015","90","","3607","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H18 Lu2 O56 S12 -","- C36 H18 Lu2 O56 S12 -","- C72 H36 Lu4 O112 S24 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0537","","","","0.1256","","","","","","1.158","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209928","15.5538","0.0004","12.2885","0.0004","20.6249","0.0006","90","","110.567","0.0009","90","","3690.84","0.19","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H78 O56 S12 Tb2 -","- C36 H78 O56 S12 Tb2 -","- C72 H156 O112 S24 Tb4 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0207","","","","0.0543","","","","","","1.109","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209929","15.4846","0.0007","12.3023","0.0005","20.5851","0.0008","90","","110.451","0.0012","90","","3674.2","0.3","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H78 O56 S12 Tm2 -","- C36 H78 O56 S12 Tm2 -","- C72 H156 O112 S24 Tm4 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0263","","","","0.0619","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209930","15.4625","0.0005","12.2942","0.0004","20.5701","0.0006","90","","110.442","0.0008","90","","3664.1","0.2","100.1","","100.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H18 O56 S12 Yb2 -","- C36 H18 O56 S12 Yb2 -","- C72 H36 O112 S24 Yb4 -","2","0.5","","Yamada, Manabu; Hamada, Fumio","Supramolecular assemblies with water-soluble p-sulfonatothiacalix[6]arene lanthanide complexes: one-dimensional ‘ladder-type’ coordination polymers and one-dimensional hydrogen-bonded polymers","CrystEngComm","2013","15","28","5703","","10.1039/c3ce40431e","","","0.71075","MoKα","","","0.0471","","","","0.115","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209931","7.9992","0.0006","9.3303","0.0005","9.5016","0.0004","95.094","0.004","97.795","0.005","108.464","0.006","659.85","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Mn N2 O6 P -","- C11 H10 Mn N2 O6 P -","- C22 H20 Mn2 N4 O12 P2 -","2","1","","Duan, Chunmei; Luo, Daibing; Shang, Rui; Lin, Zhien","Solvent-free synthesis of new manganese phosphate‒oxalate hybrid solids","CrystEngComm","2013","15","28","5602","","10.1039/c3ce40457a","","","0.71073","MoKα","","0.0394","0.0314","","","0.0692","0.072","","","","","","1.04","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209932","6.1008","0.0008","6.7115","0.0007","12.9864","0.0008","92.04","0.007","95.79","0.008","107.914","0.008","502.13","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H7 Mn N O8 P -","- C7 H7 Mn N O8 P -","- C14 H14 Mn2 N2 O16 P2 -","2","1","","Duan, Chunmei; Luo, Daibing; Shang, Rui; Lin, Zhien","Solvent-free synthesis of new manganese phosphate‒oxalate hybrid solids","CrystEngComm","2013","15","28","5602","","10.1039/c3ce40457a","","","0.71073","MoKα","","0.0397","0.0306","","","0.0676","0.0718","","","","","","1.057","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209933","7.7715","0.0009","9.4619","0.0008","10.7591","0.0008","114.628","0.007","90.843","0.006","102.125","0.008","698.47","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Mn N2 O6 P -","- C13 H10 Mn N2 O6 P -","- C26 H20 Mn2 N4 O12 P2 -","2","1","","Duan, Chunmei; Luo, Daibing; Shang, Rui; Lin, Zhien","Solvent-free synthesis of new manganese phosphate‒oxalate hybrid solids","CrystEngComm","2013","15","28","5602","","10.1039/c3ce40457a","","","0.71073","MoKα","","0.0423","0.0321","","","0.0724","0.077","","","","","","1.068","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209934","17.7951","0.0006","6.9089","0.0003","13.0784","0.0005","90","","109.667","0.002","90","","1514.12","0.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-nitrobenzoic acid 4-phenylpyridine","3-nitrobenzoic acid 4-phenylpyridine","","- C18 H14 N2 O4 -","- C18 H14 N2 O4 -","- C72 H56 N8 O16 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0512","0.0424","","","0.117","0.1255","","","","","","1.052","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209935","8.1839","0.0002","10.88","0.0003","19.2168","0.0005","73.589","0.001","83.558","0.001","68.897","0.001","1531.19","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","4-aminobenzoic acid 4-phenylpyridine","4-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","2","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0779","0.0445","","","0.0966","0.1143","","","","","","1.02","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209936","9.5861","0.0009","10.1179","0.0009","14.4262","0.0011","88.676","0.007","76.576","0.007","64.447","0.009","1223.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","4-phenylpyridinium 3,5-dinitrobenzoate 3,5-dinitrobenzoic acid","4-phenylpyridinium 3,5-dinitrobenzoate 3,5-dinitrobenzoic acid","","- C25 H17 N5 O12 -","- C25 H17 N5 O12 -","- C50 H34 N10 O24 -","2","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0721","0.0374","","","0.0701","0.0757","","","","","","0.838","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209937","7.0267","0.0005","19.4733","0.0015","10.9698","0.0008","90","","102.362","0.003","90","","1466.23","0.19","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-phenylpyridinium gallate","4-phenylpyridinium gallate","","- C18 H15 N O5 -","- C18 H15 N O5 -","- C72 H60 N4 O20 -","4","2","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0378","0.036","","","0.0993","0.101","","","","","","1.05","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209938","22.4605","0.0005","7.1673","0.0002","20.0652","0.0005","90","","116.438","0.001","90","","2892.3","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-phenylpyridinium saliyclate","4-phenylpyridinium saliyclate","","- C18 H15 N O3 -","- C18 H15 N O3 -","- C144 H120 N8 O24 -","8","2","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0756","0.0565","","","0.1565","0.1654","","","","","","1.167","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209939","7.5367","0.0013","10.0173","0.0018","19.429","0.004","90","","92.881","0.008","90","","1465","0.5","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0542","0.0414","","","0.1051","0.1154","","","","","","1.025","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209940","7.5472","0.0009","10.0169","0.0012","19.516","0.003","90","","92.845","0.006","90","","1473.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0564","0.0421","","","0.1116","0.1192","","","","","","1.053","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209941","7.557","0.0007","10.0088","0.001","19.597","0.002","90","","92.793","0.005","90","","1480.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0621","0.0432","","","0.1133","0.1232","","","","","","1.044","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209942","7.5656","0.0006","10.0044","0.0009","19.6836","0.0018","90","","92.755","0.004","90","","1488.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-aminobenzoic acid 4-phenylpyridine","2-aminobenzoic acid 4-phenylpyridine","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.","Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer","CrystEngComm","2013","15","26","5250","","10.1039/c3ce40499d","","","0.71073","MoKα","","0.0587","0.0474","","","0.1262","0.138","","","","","","1.031","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209943","43.423","0.005","10.002","0.001","16.577","0.0018","90","","97.896","0.01","90","","7131.4","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H90 Cu2 N8 O15 Si6 -","- C48 H90 Cu2 N8 O15 Si6 -","- C192 H360 Cu8 N32 O60 Si24 -","4","0.5","","Vlad, Angelica; Zaltariov, Mirela-Fernanda; Shova, Sergiu; Novitchi, Ghenadie; Varganici, Cristian-Dragos; Train, Cyrille; Cazacu, Maria","Flexible linkers and dinuclear metallic nodes build up an original metal‒organic framework","CrystEngComm","2013","15","26","5368","","10.1039/c3ce40506k","","","0.7107","MoKα","","0.1679","0.0951","","","0.2342","0.2736","","","","","","1.018","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209944","7.936","0.002","12.2","0.003","34.428","0.007","90","","90","","90","","3333.3","1.4","80","2","80","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.54~L~0.46~)-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1684","0.0993","","","0.181","0.2168","","","","","","1.06","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209945","7.89","0.002","12.081","0.003","34.782","0.005","90","","90","","90","","3315.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.54~L~0.46~)-serinate methanol 1.57-solvate","","- C34.57 H42.28 N4 O11.57 -","- C34.57 H42.28 N4 O11.57 -","- C138.28 H169.12 N16 O46.28 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1454","0.0565","","","0.115","0.1388","","","","","","0.934","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209946","7.938","0.002","12.33","0.003","35.775","0.005","90","","90","","90","","3501.5","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.84~L~0.16~)-threoninate ethanol solvate 0.79-hydrate","","- C36 H45.61 N4 O11.81 -","- C36 H45.588 N4 O11.794 -","- C144 H182.352 N16 O47.176 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.54175","CuKα","","0.1631","0.0888","","","0.1948","0.2306","","","","","","0.834","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209947","7.904","0.002","12.189","0.003","15.721","0.003","106.65","0.02","103.48","0.02","98.91","0.03","1370.6","0.6","100","2","100","2","","","","","","","","4","P 1","P 1","1","","brucinium N-(3-nitrobenzoyl)-L-valinate brucine pentahydrate","","- C58 H76 N6 O18 -","- C58 H76 N6 O18 -","- C58 H76 N6 O18 -","1","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1019","0.0511","","","0.0744","0.0902","","","","","","0.964","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209948","7.88","0.003","12.092","0.002","34.308","0.006","90","","90","","90","","3269","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-D-alaninate methanol 1.61-solvate","","- C34.61 H42.45 N4 O10.61 -","- C34.615 H42.461 N4 O10.615 -","- C138.46 H169.844 N16 O42.46 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0798","0.0485","","","0.0972","0.1132","","","","","","1.032","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209949","7.919","0.002","12.266","0.003","34.42","0.005","90","","90","","90","","3343.4","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-L-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0867","0.0711","","","0.1577","0.1638","","","","","","1.14","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209950","12.144","0.003","7.893","0.002","34.093","0.005","90","","90.63","0.03","90","","3267.7","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3-nitrobenzoy)-(D~0.55~L~0.45~)-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0909","0.0828","","","0.2016","0.2066","","","","","","1.172","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209951","7.826","0.002","12.048","0.003","35.119","0.006","90","","90","","90","","3311.3","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.73~L~0.27~)-alaninate propan-1-ol solvate","","- C36 H44 N4 O10 -","- C36 H44 N4 O10 -","- C144 H176 N16 O40 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.5417","CuKα","","0.0808","0.0684","","","0.1715","0.1959","","","","","","1.055","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209952","7.798","0.002","12.117","0.003","35.287","0.005","90","","90","","90","","3334.2","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.77~L~0.23~)-alaninate propan-1,2-diol solvate","","- C36 H44 N4 O11 -","- C36 H44 N4 O11 -","- C144 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1351","0.0773","","","0.1727","0.1912","","","","","","1.023","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209953","7.882","0.002","12.211","0.003","35.713","0.006","90","","90","","90","","3437.3","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.51~L~0.49~)-alaninate propan-1,3-diol solvate","","- C36 H44 N4 O11 -","- C36.003 H44.008 N4 O11.002 -","- C144.012 H176.032 N16 O44.008 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1498","0.0704","","","0.1648","0.216","","","","","","0.984","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209954","7.922","0.002","12.252","0.003","35.746","0.006","90","","90","","90","","3469.5","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.82~L~0.18~)-alaninate butanol-1,2-diol 0.82-solvate 0.27-hydrate","","- C36.28 H44.74 N4 O10.91 -","- C36.284 H44.21 N4 O10.911 -","- C145.136 H176.84 N16 O43.644 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1495","0.0659","","","0.1374","0.1737","","","","","","1.033","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209955","7.837","0.002","12.202","0.003","35.412","0.006","90","","90","","90","","3386.3","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-(D~0.59~L~0.41~)-alaninate butanol-1,2-diol solvate","","- C37 H46 N4 O11 -","- C37 H46 N4 O11 -","- C148 H184 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1156","0.0719","","","0.1806","0.1954","","","","","","1.071","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209956","7.906","0.002","12.047","0.003","35.802","0.004","90","","90","","90","","3409.9","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoy)-(D~0.57~L~0.43~)-alaninate butan-1,4-diol solvate","","- C37 H46 N4 O11 -","- C37 H46 N4 O11 -","- C148 H184 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.2015","0.0436","","","0.0602","0.0831","","","","","","0.756","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209957","7.944","0.002","12.52","0.003","33.073","0.004","90","","90","","90","","3289.4","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-D-serinate trihydrate","","- C33 H42 N4 O13 -","- C33 H42 N4 O13 -","- C132 H168 N16 O52 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0514","0.0353","","","0.0717","0.0758","","","","","","0.94","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209958","7.835","0.002","12.067","0.003","34.634","0.006","90","","90","","90","","3274.5","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3-nitrobenzoyl)-L-serinate methanol solvate hydrate","","- C34 H42 N4 O12 -","- C34 H42 N4 O12 -","- C136 H168 N16 O48 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.1096","0.048","","","0.0825","0.0953","","","","","","0.882","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209959","12.47","0.003","13.622","0.003","14.178","0.004","90","","90","","90","","2408.4","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucine propan-1,2-diol solvate 0.19-hydrate","","- C26 H34.38 N2 O6.19 -","- C25.998 H34.369 N2 O6.185 -","- C103.992 H137.476 N8 O24.74 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","0.71073","MoKα","","0.0778","0.0588","","","0.1624","0.1797","","","","","","1.034","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209960","12.481","0.002","13.65","0.002","13.981","0.003","90","","90","","90","","2381.9","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucine butan-1,2-diol 0.84-solvate 0.16-hydrate","","- C26.37 H34.74 N2 O5.84 -","- C26.372 H34.43 N2 O5.844 -","- C105.488 H137.72 N8 O23.376 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Solid solutions of quasi-isomorphous diastereomeric salts ‒ kinetics versus thermodynamics","CrystEngComm","2013","15","28","5681","","10.1039/c3ce40512e","","","1.54175","CuKα","","0.0557","0.055","","","0.1489","0.1506","","","","","","1.048","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209961","15.2305","0.0018","15.2305","0.0018","15.2305","0.0018","90","","90","","90","","3533","0.7","296","2","296","2","","","","","","","","6","I m -3 m","-I 4 2 3","229","","","","- C12 H72 Co4 K O72 Ru6 -","- C12 H72.24 Co4 K O72 Ru6 -","- C24 H144.48 Co8 K2 O144 Ru12 -","2","0.0208333","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0499","0.0499","","","0.1625","0.1625","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209962","9.644","0.0019","9.592","0.0019","11.141","0.002","90","","109.71","0.03","90","","970.2","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C4 H20 Co K O22 Ru2 -","- C4 H20 Co K O22 Ru2 -","- C8 H40 Co2 K2 O44 Ru4 -","2","1","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0389","0.0338","","","0.0717","0.0735","","","","","","1.069","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209963","18.408","0.004","9.3923","0.0019","10.07","0.002","90","","90","","90","","1741","0.6","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C4 H10 Co K O17 Ru2 -","- C4 H10 Co K O17 Ru2 -","- C16 H40 Co4 K4 O68 Ru8 -","4","0.5","","Liu, Bin; Wang, Dan; Jin, Jin; Jia, Yan-Yan; Liu, Xue-Mei; Xue, Gang-Lin","Heterometallic Co(ii)‒Ru2(ii,iii) carbonates: from discrete ionic crystals to three-dimensional network","CrystEngComm","2013","15","28","5726","","10.1039/c3ce40517f","","","0.71073","MoKα","","0.0669","0.0549","","","0.1483","0.1566","","","","","","1.083","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209964","9.586","0.0019","10.713","0.002","13.527","0.003","90","","90","","90","","1389.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cu N4 O3 -","- C13 H14 Cu N4 O3 -","- C52 H56 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0273","0.0237","","","0.064","0.0662","","","","","","0.88","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209965","9.589","0.0019","10.709","0.002","13.528","0.003","90","","90","","90","","1389.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Cu N4 O3 -","- C13 H14 Cu N4 O3 -","- C52 H56 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0255","0.0235","","","0.0627","0.0635","","","","","","1.065","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209966","9.5958","0.0019","10.99","0.002","12.258","0.003","90","","90","","90","","1292.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 Cu N4 O3 -","- C12 H12 Cu N4 O3 -","- C48 H48 Cu4 N16 O12 -","4","1","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0293","0.0238","","","0.0518","0.0525","","","","","","0.96","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209967","8.2239","0.0016","9.5128","0.0019","10.46","0.002","64.03","0.03","71.43","0.03","83.95","0.03","696.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Br2 Cu2 N8 O4 -","- C24 H22 Br2 Cu2 N8 O4 -","- C24 H22 Br2 Cu2 N8 O4 -","1","0.5","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0843","0.0759","","","0.1943","0.1973","","","","","","1.266","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209968","9.518","0.004","11.058","0.004","14.814","0.006","92.275","0.007","105.925","0.007","109.584","0.006","1397.6","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Br Cu N4 O2 -","- C12 H11 Br Cu N4 O2 -","- C48 H44 Br4 Cu4 N16 O8 -","4","2","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.1529","0.0659","","","0.1619","0.1906","","","","","","1.018","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209969","13.724","0.003","13.478","0.003","15.482","0.007","90","","117.98","0.02","90","","2529","1.5","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Br Cu N4 O2 -","- C11 H9 Br Cu N4 O2 -","- C88 H72 Br8 Cu8 N32 O16 -","8","2","","Ding, Shuai; Gao, Yanfei; Ji, Yufei; Wang, Yanqin; Liu, Zhiliang","Homochiral crystallization of single-stranded helical coordination polymers: generated by the structure of auxiliary ligands or spontaneous symmetry breaking","CrystEngComm","2013","15","28","5598","","10.1039/c3ce40519b","","","0.71073","MoKα","","0.0426","0.0271","","","0.0656","0.0707","","","","","","1.057","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209970","10.2341","0.0002","10.5536","0.0002","10.9976","0.0002","94.6444","0.0018","108.019","0.0019","108.183","0.002","1052.24","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H28 Mn2 N10 O4 Pt S6 -","- C38 H28 Mn2 N10 O4 Pt S6 -","- C38 H28 Mn2 N10 O4 Pt S6 -","1","0.5","","Šilha, Tomáš; Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic characterizations of the first manganese(iii) Schiff base complexes involving hexathiocyanidoplatinate(iv) bridges","CrystEngComm","2013","15","26","5351","","10.1039/c3ce40524a","","","0.71073","MoKα","","0.0143","0.0142","","","0.0363","0.0364","","","","","","1.048","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209971","14.055","0.0004","14.4443","0.0004","17.5311","0.0007","90","","122.72","0.002","90","","2994.32","0.18","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Mn2 N10 O10 Pt S6 -","- C56 H52 Mn2 N10 O10 Pt S6 -","- C112 H104 Mn4 N20 O20 Pt2 S12 -","2","0.5","","Šilha, Tomáš; Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","Structural and magnetic characterizations of the first manganese(iii) Schiff base complexes involving hexathiocyanidoplatinate(iv) bridges","CrystEngComm","2013","15","26","5351","","10.1039/c3ce40524a","","","0.71073","MoKα","","0.0434","0.0314","","","0.0784","0.0812","","","","","","0.997","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209972","49.033","0.002","8.9877","0.0003","18.4357","0.0006","90","","90","","90","","8124.5","0.5","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H78 Cd Cl2 N14 O18 -","- C80 H80 Cd Cl2 N14 O18 -","- C320 H320 Cd4 Cl8 N56 O72 -","4","","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1186","0.0712","","","0.1952","0.2251","","","","","","1.031","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209973","49.17","0.004","9.0156","0.0007","18.0678","0.0015","90","","90","","90","","8009.4","1.1","150","2","150","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C80 H78 Cl2 N14 O18 Zn -","- C80 H78 Cl2 N14 O18 Zn -","- C320 H312 Cl8 N56 O72 Zn4 -","4","","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1246","0.11","","","0.3009","0.3135","","","","","","1.235","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7209974","25.242","0.009","19.401","0.007","8.718","0.003","90","","91.011","0.006","90","","4269","3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 Cu I N9 O6 -","- C43 H45 Cu I N9 O6 -","- C172 H180 Cu4 I4 N36 O24 -","4","1","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1038","0.0932","","","0.2713","0.2845","","","","","","1.077","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209975","46.404","0.005","8.9009","0.0009","19.4327","0.0019","90","","90.374","0.003","90","","8026.3","1.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H75 Cu N19 O9 S2 -","- C83 H75 Cu N19 O9 S2 -","- C332 H300 Cu4 N76 O36 S8 -","4","0.5","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.0934","0.0593","","","0.1543","0.1869","","","","","","1.102","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209976","29.174","0.004","16.934","0.002","18.119","0.002","90","","110.166","0.002","90","","8402.6","1.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C83 H76 N15 O12 -","- C83 H76 N15 O12 -","- C332 H304 N60 O48 -","4","1","","Tzeng, Biing-Chiau; Chao, An; Selvam, TamilSelvi; Chang, Tsung-Yi","Polyrotaxane frameworks containing N,N′,N′′-(4,4′,4′′-nitrilotris(4,1-phenylene))triisonicotinamide: structural and luminescent properties","CrystEngComm","2013","15","26","5337","","10.1039/c3ce40558c","","","0.71073","MoKα","","0.1026","0.0818","","","0.2206","0.251","","","","","","1.077","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209977","7.2366","0.0003","8.4314","0.0003","7.2292","0.0003","90","","90","","90","","441.09","0.03","295","2","295","2","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","","","- C3 H3 I3 N2 -","- C3 H3 I3 N2 -","- C6 H6 I6 N4 -","2","0.25","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0276","0.023","","","0.0492","0.0514","","","","","","1.056","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209978","7.8732","0.0005","15.4592","0.0007","9.6771","0.0006","90","","106.647","0.006","90","","1128.47","0.12","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 I N2 -","- C3 H5 I N2 -","- C24 H40 I8 N16 -","8","2","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0683","0.0624","","","0.132","0.1342","","","","","","1.276","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209979","7.8956","0.0009","7.8956","0.0009","8.0774","0.0016","90","","90","","120","","436.09","0.11","295","2","295","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C3 H5 I N2 -","- C2.9988 H4.998 I N1.9992 -","- C8.9964 H14.994 I3 N5.9976 -","3","0.0833333","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0204","0.0204","","","0.0547","0.0547","","","","","","0.975","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209980","13.9633","0.0016","15.6595","0.001","14.9399","0.0013","90","","116.778","0.007","90","","2916.4","0.5","115","2","115","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 I4 N4 -","- C6 H10 I4 N4 -","- C48 H80 I32 N32 -","8","1","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.0581","0.0463","","","0.1224","0.1289","","","","","","1.201","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7209981","14.1543","0.0012","15.7359","0.001","27.1076","0.0017","90","","90","","90","","6037.7","0.7","295","2","295","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H20 I8 N8 -","- C12 H20 I8 N8 -","- C96 H160 I64 N64 -","8","0.25","","Węcławik, Magdalena; Gągor, Anna; Piecha, Anna; Jakubas, Ryszard; Medycki, Wojciech","Synthesis, crystal structure and phase transitions of a series of imidazolium iodides","CrystEngComm","2013","15","28","5633","","10.1039/c3ce40559a","","","0.71073","MoKα","","0.1018","0.0343","","","0.0869","0.1057","","","","","","0.834","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209982","23.746","0.008","12.946","0.004","15.957","0.005","90","","90","","90","","4905","3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H18 Mn2 N14 O4 -","- C18 H16 Mn2 N14 O4 -","- C144 H128 Mn16 N112 O32 -","8","1","","Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Ma, Lu-Fang; Wu, Ya-Pan; Duan, Ya-Ping","Two solvent-dependent manganese(ii) supramolecular isomers: solid-state transformation and magnetic properties","CrystEngComm","2013","15","27","5412","","10.1039/c3ce40565f","","","0.71073","MoKα","","0.0698","0.0542","","","0.1264","0.1356","","","","","","1.032","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209983","19.6971","0.0009","19.6971","0.0009","19.9978","0.0008","90","","90","","90","","7758.7","0.6","296","2","296","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C21 H21 Mn2 N15 O3 -","- C21 H21 Mn2 N15 O3 -","- C168 H168 Mn16 N120 O24 -","8","0.5","","Dong, Wen-Wen; Li, Dong-Sheng; Zhao, Jun; Ma, Lu-Fang; Wu, Ya-Pan; Duan, Ya-Ping","Two solvent-dependent manganese(ii) supramolecular isomers: solid-state transformation and magnetic properties","CrystEngComm","2013","15","27","5412","","10.1039/c3ce40565f","","","0.71073","MoKα","","0.0711","0.0624","","","0.1755","0.1846","","","","","","1.064","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209984","16.2278","0.0013","10.2439","0.0009","17.3848","0.0014","90","","113.77","0.002","90","","2644.8","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl2 Cu Mn N2 O15 -","- C19 H26 Cl2 Cu Mn N2 O15 -","- C76 H104 Cl8 Cu4 Mn4 N8 O60 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0524","0.0396","","","0.1233","0.1341","","","","","","1.072","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209985","16.3338","0.001","10.193","0.0007","17.2984","0.0012","90","","114.814","0.002","90","","2614.1","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Cl2 Cu Fe N2 O15 -","- C19 H26 Cl2 Cu Fe N2 O15 -","- C76 H104 Cl8 Cu4 Fe4 N8 O60 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0487","0.0405","","","0.1348","0.1455","","","","","","1.161","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209986","11.5653","0.0015","26.5","0.003","22.771","0.003","90","","95.591","0.002","90","","6945.7","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H68 Cl2 Cu3 Mn N6 O24 -","- C69 H68 Cl2 Cu3 Mn N6 O24 -","- C276 H272 Cl8 Cu12 Mn4 N24 O96 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0618","0.0387","","","0.117","0.1384","","","","","","0.942","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209987","11.557","0.002","26.632","0.005","22.822","0.005","90","","95.719","0.006","90","","6989","2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H68 Cl2 Cu3 Fe N6 O24 -","- C69 H68 Cl2 Cu3 Fe N6 O24 -","- C276 H272 Cl8 Cu12 Fe4 N24 O96 -","4","1","","Biswas, Arpita; Mandal, Leena; Mondal, Suraj; Lucas, C. Robert; Mohanta, Sasankasekhar","More surprising differences between two closely similar compartmental ligand families and another dinuclear synthon to stabilize dinuclear‒mononuclear cocrystals","CrystEngComm","2013","15","29","5888","","10.1039/c3ce40569a","","","0.71073","MoKα","","0.0565","0.0376","","","0.1168","0.135","","","","","","0.953","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209988","12.2417","0.0004","12.8209","0.0005","20.5866","0.0008","94.519","0.003","90.329","0.003","111.576","0.003","2993.2","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H58 Cu3 N10 O52 P Tb W11 -","- C12 H40 Cu3 N10 O52 P Tb W11 -","- C24 H80 Cu6 N20 O104 P2 Tb2 W22 -","2","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Novel organic‒inorganic hybrid one-dimensional chain assembled by oxalate-bridging terbium-substituted phosphotungstate dimers and dinuclear copper(ii)‒oxalate clusters","CrystEngComm","2013","15","26","5209","","10.1039/c3ce40573g","","","0.71073","MoKα","","0.0519","0.0399","","","0.0962","0.1013","","","","","","1.063","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209989","10.814","0.0013","10.814","0.0013","25.41","0.004","90","","90","","90","","2971.5","0.7","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C19 H13 N7 O8 Zn2 -","- C19 H13 N7 O8 Zn2 -","- C76 H52 N28 O32 Zn8 -","4","0.5","","Pan, Jie; Jiang, Fei-Long; Yuan, Da-Qiang; Shan, Xiao-Chen; Wu, Ming-Yan; Zhou, Kang; Gai, Yan-Li; Li, Xing-Jun; Hong, Mao-Chun","The 3D porous metal‒organic frameworks based on bis(pyrazinyl)‒trizole: structures, photoluminescence and gas adsorption properties","CrystEngComm","2013","15","28","5673","","10.1039/c3ce40574e","","","0.71073","MoKα","","0.0325","0.0319","","","0.0873","0.0879","","","","","","1.096","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209990","20.73","0.008","14.751","0.005","20.709","0.008","90","","97.174","0.004","90","","6283","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H27 Cd2 N9 O9 -","- C27 H27 Cd2 N9 O9 -","- C216 H216 Cd16 N72 O72 -","8","1","","Pan, Jie; Jiang, Fei-Long; Yuan, Da-Qiang; Shan, Xiao-Chen; Wu, Ming-Yan; Zhou, Kang; Gai, Yan-Li; Li, Xing-Jun; Hong, Mao-Chun","The 3D porous metal‒organic frameworks based on bis(pyrazinyl)‒trizole: structures, photoluminescence and gas adsorption properties","CrystEngComm","2013","15","28","5673","","10.1039/c3ce40574e","","","0.71073","MoKα","","0.0801","0.0626","","","0.1886","0.2053","","","","","","1.081","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209991","7.5673","0.0005","9.3773","0.0005","7.7862","0.0005","90","","108.734","0.007","90","","523.24","0.06","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Mg N2 O8 -","- C8 H12 Mg N2 O8 -","- C16 H24 Mg2 N4 O16 -","2","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0405","0.0368","","","0.1088","0.1116","","","","","","1.192","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209992","7.5941","0.0004","5.6569","0.0003","13.1056","0.0006","90","","95.284","0.004","90","","560.61","0.05","301","2","301","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 Ca N2 O8 -","- C8 H12 Ca N2 O8 -","- C16 H24 Ca2 N4 O16 -","2","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0296","0.0257","","","0.0649","0.0669","","","","","","1.129","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209993","23.6213","0.0016","6.9431","0.0005","8.0865","0.0004","90","","104.072","0.009","90","","1286.43","0.15","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 N2 O9 Sr -","- C8 H14 N2 O9 Sr -","- C32 H56 N8 O36 Sr4 -","4","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0211","0.0196","","","0.0494","0.0501","","","","","","1.049","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209994","4.6423","0.0002","13.5308","0.0006","17.7254","0.0009","90","","93.474","0.004","90","","1111.36","0.09","301","2","301","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ba N2 O7 -","- C8 H10 Ba N2 O7 -","- C32 H40 Ba4 N8 O28 -","4","0.5","","Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo","The effect of earth metal ion on the property of peptide-based metal‒organic frameworks","CrystEngComm","2013","15","27","5545","","10.1039/c3ce40587g","","","0.71073","MoKα","","0.0151","0.015","","","0.0352","0.0353","","","","","","1.2","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209995","17.7748","0.0005","10.7982","0.0003","19.9149","0.0005","90","","106.716","0.003","90","","3660.86","0.18","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cl10 Cr14 H97 N29 O5 S16 -","- Cl10 Cr14 H97 N29 O5 S16 -","- Cl20 Cr28 H194 N58 O10 S32 -","2","0.25","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","Ionothermal synthesis and characterization of two cluster chalcohalides: [Cr7S8Cl2(NH3)14.5(H2O)1.5]Cl3·H2O and [Emim]2[Sn2As2S4(S2)2Br2.43Cl1.56]","CrystEngComm","2013","15","28","5594","","10.1039/c3ce40592c","","","0.71073","MoKα","","0.0482","0.0288","","","0.0674","0.07","","","","","","1.006","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209996","15.1894","0.0004","12.7155","0.0003","16.4353","0.0004","90","","90","","90","","3174.33","0.14","293","2","293","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C12 H22 As2 Br2.43 Cl1.56 N4 S8 Sn2 -","- C12 H22 As2 Br2.434 Cl1.56 N4 S8 Sn2 -","- C48 H88 As8 Br9.736 Cl6.24 N16 S32 Sn8 -","4","0.5","","Du, Ke-Zhao; Feng, Mei-Ling; Li, Jian-Rong; Huang, Xiao-Ying","Ionothermal synthesis and characterization of two cluster chalcohalides: [Cr7S8Cl2(NH3)14.5(H2O)1.5]Cl3·H2O and [Emim]2[Sn2As2S4(S2)2Br2.43Cl1.56]","CrystEngComm","2013","15","28","5594","","10.1039/c3ce40592c","","","0.71073","MoKα","","0.0471","0.0314","","","0.0641","0.0706","","","","","","1.005","","","","has coordinates,has disorder","180430","2020-10-21","18:00:00",""
"7209997","29.585","0.013","3.8211","0.0018","11.156","0.005","90","","97.327","0.005","90","","1250.9","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Potassium hydrogen bis(benzoate)","","","- C14 H11 K O4 -","- C14 H11 K O4 -","- C56 H44 K4 O16 -","4","0.5","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0548","0.0494","","","0.1323","0.1357","","","","","","1.122","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209998","6.875","0.0011","6.9872","0.0011","30.188","0.005","90","","90","","90","","1450.1","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Ammonium benzoate","","","- C7 H9 N O2 -","- C7 H9 N O2 -","- C56 H72 N8 O16 -","8","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0552","0.0428","","","0.0863","0.0916","","","","","","1.094","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7209999","29.234","0.01","3.8543","0.0013","11.408","0.004","90","","94.455","0.005","90","","1281.5","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ammonium hydrogen bis(benzoate)","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C56 H60 N4 O16 -","4","0.5","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0928","0.0616","","","0.1381","0.1545","","","","","","1.08","","","","has coordinates","180430","2020-10-21","18:00:00",""
"7210000","5.8207","0.0011","14.46","0.003","22.09","0.004","90","","97.084","0.003","90","","1845.1","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Sodium dihydrogen tris(benzoate)","","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Improved solid-state stability of salts by cocrystallization between conjugate acid‒base pairs","CrystEngComm","2013","15","29","5756","","10.1039/c3ce40593a","","","0.71073","MoKα","","0.0634","0.0437","","","0.1055","0.1159","","","","","","1.031","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210001","10.0863","0.0005","10.9647","0.0004","18.8209","0.0009","90","","92.043","0.004","90","","2080.14","0.16","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C88 H64 Br8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Halogen bonding synthon crossover in conformational polymorphism","CrystEngComm","2013","15","29","5813","","10.1039/c3ce40600h","","","0.71073","MoKα","","0.0831","0.0591","","","0.1117","0.1196","","","","","","1.153","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210002","3.8163","0.0006","22.85","0.003","11.918","0.002","90","","92.724","0.013","90","","1038.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C44 H32 Br4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Halogen bonding synthon crossover in conformational polymorphism","CrystEngComm","2013","15","29","5813","","10.1039/c3ce40600h","","","0.71073","MoKα","","0.0558","0.0486","","","0.1216","0.1265","","","","","","1.09","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7210003","12.568","0.0003","13.59","0.0004","25.68","0.0008","80.498","0.003","76.872","0.002","76.607","0.002","4125.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H109 Mo8 N36 O44 Zn4 -","- C120 H82 Mo8 N36 O44.5 Zn4 -","- C120 H82 Mo8 N36 O44.5 Zn4 -","1","0.5","","Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties","CrystEngComm","2013","15","29","5844","","10.1039/c3ce40626a","","","0.71069","MoKα","","0.0961","0.0719","","","0.1964","0.2163","","","","","","1.074","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210004","16.994","0.0003","18.914","0.0004","18.948","0.0008","108.314","0.003","106.718","0.002","109.066","0.002","4920.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H122 Mo16 N36 O81 S Zn6 -","- C120 H60 Mo16 N36 O81 S Zn6 -","- C120 H60 Mo16 N36 O81 S Zn6 -","1","0.5","","Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties","CrystEngComm","2013","15","29","5844","","10.1039/c3ce40626a","","","0.71069","MoKα","","0.0962","0.0716","","","0.1976","0.2232","","","","","","1.044","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210005","16.4725","0.0007","18.9713","0.0004","19.232","0.0005","108.409","0.002","108.935","0.003","106.424","0.003","4871.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H61 Cd2 Mo8 N18 O38.5 -","- C60 H34 Cd2 Mo8 N18 O38.5 -","- C120 H68 Cd4 Mo16 N36 O77 -","2","1","","Wang, Wei; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","Three new inorganic‒organic hybrid compounds constructed from two kinds of octamolybdate clusters and flexible multidentate N-donor ligand: syntheses, structures, electrochemistry, luminescence, and photocatalytic properties","CrystEngComm","2013","15","29","5844","","10.1039/c3ce40626a","","","0.71073","MoKα","","0.0957","0.0637","","","0.1592","0.1894","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210006","16.1814","0.0015","10.4831","0.0009","18.8326","0.0016","90","","90","","90","","3194.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H24 N2 O5 -","- C13 H24 N2 O5 -","- C104 H192 N16 O40 -","8","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.0688","0.0452","","","0.1045","0.1142","","","","","","1.271","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210007","9.4323","0.001","19.848","0.002","20.122","0.002","90","","90","","90","","3767.1","0.7","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C144 H208 N16 O40 -","8","1","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.0778","0.0562","","","0.127","0.137","","","","","","1.163","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210008","10.864","0.003","11.56","0.003","31.828","0.009","90.032","0.005","90.091","0.005","91.966","0.004","3994.9","1.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 N2 O6 -","- C18 H26 N2 O6 -","- C144 H208 N16 O48 -","8","4","","Maity, Suman Kumar; Bera, Santu; Paikar, Arpita; Pramanik, Apurba; Haldar, Debasish","Fabrication of microspheres from self-assembled γ-peptides","CrystEngComm","2013","15","29","5860","","10.1039/c3ce40689j","","","0.71073","MoKα","","0.1623","0.1255","","","0.3577","0.3793","","","","","","1.138","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210009","9.5387","0.0015","23.208","0.004","7.4056","0.0012","90","","90","","90","","1639.4","0.5","150","1","150","1","","","","","","","see text","3","P c c n","-P 2ab 2ac","56","hexa-2,4-diyne-1,6-diyl bis(phenylcarbonate)","hexa-2,4-diyne-1,6-diyl bis(phenylcarbonate)","","- C20 H14 O6 -","- C20 H14 O6 -","- C80 H56 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0441","0.0302","","","0.077","0.0811","","","","","","1.043","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210010","5.2422","0.0003","7.156","0.0004","13.2155","0.0007","93.426","0.004","98.645","0.004","109.868","0.005","457.66","0.05","150","1","150","1","","","","","","","see text","4","P -1","-P 1","2","","hexa-2,4-diyne-1,6-diyl bis(2,4,6-trifluorophenylcarbonate)","","- C20 H8 F6 O6 -","- C20 H8 F6 O6 -","- C20 H8 F6 O6 -","1","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0317","0.0285","","","0.0729","0.0747","","","","","","1.028","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210011","20.8305","0.0012","3.9051","0.0003","22.4954","0.0012","90","","110.433","0.007","90","","1714.8","0.2","150","1","150","1","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","hexa-2,4-diyne-1,6-diyl bis(3-fluorophenylcarbonate)","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","1","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0448","0.0364","","","0.097","0.1032","","","","","","1.053","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210012","22.665","0.005","9.956","0.005","7.442","0.005","90","","90","","90","","1679.3","1.5","150","1","150","1","","","","","","","see text","4","P c c n","-P 2ab 2ac","56","","hexa-2,4-diyne-1,6-diyl bis(2-fluorophenylcarbonate)","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0503","0.0367","","","0.0919","0.1004","","","","","","1.061","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210013","9.6359","0.0009","23.748","0.002","7.268","0.0006","90","","90","","90","","1663.2","0.3","150","1","150","1","","","","","","","see text","4","P c c n","-P 2ab 2ac","56","","hexa-2,4-diyne-1,6-diyl bis(4-fluorophenylcarbonate)'","","- C20 H12 F2 O6 -","- C20 H12 F2 O6 -","- C80 H48 F8 O24 -","4","0.5","","Dikundwar, Amol G.; Venkateswarlu, Ch.; Chandrakala, R. N.; Chandrasekaran, Srinivasan; Row, Tayur N. Guru","H/F isosteric substitution to attest different equi-energetic molecular conformations in crystals","CrystEngComm","2013","15","27","5403","","10.1039/c3ce40697k","","x-ray","0.71073","MoKα","","0.0508","0.0371","","","0.1015","0.1092","","","","","","1.049","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210014","14.8152","0.0019","9.6353","0.0018","7.0405","0.0009","90","","93.194","0.011","90","","1003.5","0.3","100","2","100","2","","","","","","","","4","I 1 2/m 1","-I 2y","12","","","","- C12 H18 N18 O6 -","- C12 H18 N18 O6 -","- C24 H36 N36 O12 -","2","0.25","","Prior, Timothy J.; Armstrong, Jennifer A.; Benoit, David M.; Marshall, Kayleigh L.","The structure of the melamine‒cyanuric acid co-crystal","CrystEngComm","2013","15","29","5838","","10.1039/c3ce40709h","","","0.71073","MoKα","","0.0727","0.0353","","","0.0898","0.1047","","","","","","0.957","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210015","7.007","0.0014","11.224","0.002","16.95","0.003","90","","91.95","0.03","90","","1332.3","0.4","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0879","0.0776","","","0.1913","0.2","","","","","","1.2","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210016","6.8143","0.0014","22.419","0.005","8.8759","0.0018","90","","101.85","0.03","90","","1327.1","0.5","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C52 H60 N12 O20 -","4","2","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0565","0.053","","","0.1358","0.1402","","","","","","1.052","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210017","7.8906","0.0016","8.703","0.0017","12.517","0.003","90","","97.84","0.03","90","","851.5","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0526","0.0502","","","0.1207","0.1229","","","","","","1.153","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210018","3.7036","0.0007","7.8401","0.0016","29.573","0.006","90","","90.63","0.03","90","","858.6","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O6 -","- C16 H18 N6 O6 -","- C32 H36 N12 O12 -","2","0.5","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0749","0.0671","","","0.1879","0.2067","","","","","","1.164","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210019","5.0595","0.001","17.246","0.003","19.056","0.004","90","","97.25","0.03","90","","1649.5","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N5 O6 -","- C16 H17 N5 O6 -","- C64 H68 N20 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0602","0.0589","","","0.1548","0.1595","","","","","","1.184","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210020","5.1175","0.001","17.467","0.004","18.763","0.004","90","","96.71","0.03","90","","1665.7","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N5 O6 -","- C16 H19 N5 O6 -","- C64 H76 N20 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Novel solid forms of the anti-tuberculosis drug, Isoniazid: ternary and polymorphic cocrystals","CrystEngComm","2013","15","29","5877","","10.1039/c3ce40729b","","","0.71073","MoKα","","0.0474","0.0461","","","0.1217","0.1231","","","","","","1.082","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210021","5.569","0.002","24.721","0.01","13.606","0.006","90","","101.183","0.005","90","","1837.6","1.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Br N O S -","- C21 H18 Br N O S -","- C84 H72 Br4 N4 O4 S4 -","4","1","","Ray, Suman; Brown, Mike; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda","A new MCM-41 supported HPF6 catalyst for the library synthesis of highly substituted 1,4-dihydropyridines and oxidation to pyridines: report of one-dimensional packing towards LMSOMs and studies on their photophysical properties","Green Chemistry","2013","15","7","1910","","10.1039/c3gc40441b","","","0.71073","MoKα","","0.1003","0.0703","","","0.1894","0.2097","","","","","","1.027","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210022","19.1534","0.001","10.4617","0.0005","12.4228","0.0006","90","","104.23","0.002","90","","2412.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N2 O3 -","- C29 H26 N2 O3 -","- C116 H104 N8 O12 -","4","1","","Ray, Suman; Brown, Mike; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda","A new MCM-41 supported HPF6 catalyst for the library synthesis of highly substituted 1,4-dihydropyridines and oxidation to pyridines: report of one-dimensional packing towards LMSOMs and studies on their photophysical properties","Green Chemistry","2013","15","7","1910","","10.1039/c3gc40441b","","","0.71073","MoKα","","0.0935","0.0517","","","0.1301","0.1553","","","","","","0.993","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210023","16.0558","0.0004","13.068","0.0004","11.5754","0.0004","90","","122.419","0.002","90","","2050.2","0.12","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H23 N2 O3 -","- C24 H22 N2 O3 -","- C96 H88 N8 O12 -","4","1","","Ray, Suman; Brown, Mike; Bhaumik, Asim; Dutta, Arghya; Mukhopadhyay, Chhanda","A new MCM-41 supported HPF6 catalyst for the library synthesis of highly substituted 1,4-dihydropyridines and oxidation to pyridines: report of one-dimensional packing towards LMSOMs and studies on their photophysical properties","Green Chemistry","2013","15","7","1910","","10.1039/c3gc40441b","","","0.71073","MoKα","","0.0642","0.0554","","","0.1694","0.1855","","","","","","0.839","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210024","8.2221","0.0001","11.5994","0.0002","31.6633","0.0004","90","","90","","90","","3019.77","0.07","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H7 Ag F7 N3 O3 -","- C13 H7 Ag F7 N3 O3 -","- C104 H56 Ag8 F56 N24 O24 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0444","0.0286","","","0.0693","0.0743","","","","","","1.07","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210025","25.2591","0.0008","10.5671","0.0003","15.034","0.0005","90","","103.597","0.0018","90","","3900.3","0.2","200","2","200","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Ag F7 N3 O5 S -","- C14 H13 Ag F7 N3 O5 S -","- C112 H104 Ag8 F56 N24 O40 S8 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0455","0.0342","","","0.0869","0.095","","","","","","1.061","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210026","7.3177","0.0001","12.7615","0.0001","29.9513","0.0004","90","","90","","90","","2797","0.06","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C11 H7 Ag Cl F4 N3 O5 -","- C11 H7 Ag Cl F4 N3 O5 -","- C88 H56 Ag8 Cl8 F32 N24 O40 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0209","0.0187","","","0.0457","0.0466","","","","","","1.094","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210027","18.417","0.007","6.399","0.0008","11.262","0.004","90","","95.79","0.03","90","","1320.5","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Ag F4 N4 O4 -","- C11 H7 Ag F4 N4 O4 -","- C44 H28 Ag4 F16 N16 O16 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0285","0.0233","","","0.0567","0.0597","","","","","","1.047","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210028","7.4891","0.0019","13.333","0.002","51.316","0.008","90","","90","","90","","5124","1.7","296","2","296","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C12 H10 F4 N4 -","- C12 H10 F4 N4 -","- C192 H160 F64 N64 -","16","0.5","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0617","0.0416","","","0.0968","0.1067","","","","","","1.109","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210029","28.875","0.008","6.4421","0.0002","20.64","0.004","90","","121.264","0.012","90","","3281.8","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag F7 N4 O2 -","- C14 H10 Ag F7 N4 O2 -","- C112 H80 Ag8 F56 N32 O16 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0613","0.0384","","","0.0794","0.0903","","","","","","1.031","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210030","13.6509","0.0005","10.3996","0.0003","15.5497","0.0006","90","","110.888","0.0019","90","","2062.42","0.13","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Ag F7 N4 O4 S -","- C15 H16 Ag F7 N4 O4 S -","- C60 H64 Ag4 F28 N16 O16 S4 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0501","0.0317","","","0.0715","0.0774","","","","","","1.013","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210031","6.4222","0.0001","16.1283","0.0003","14.7568","0.0003","90","","101.449","0.0013","90","","1498.08","0.05","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Ag Cl F4 N4 O4 -","- C12 H10 Ag Cl F4 N4 O4 -","- C48 H40 Ag4 Cl4 F16 N16 O16 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0505","0.0315","","","0.0667","0.0718","","","","","","1.018","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210032","6.3287","0.0001","25.1946","0.0008","9.113","0.0003","90","","100.591","0.0017","90","","1428.3","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Ag F4 N5 O3 -","- C12 H10 Ag F4 N5 O3 -","- C48 H40 Ag4 F16 N20 O12 -","4","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0389","0.0267","","","0.0564","0.0597","","","","","","1.086","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210033","7.8308","0.0003","31.6394","0.0014","12.6258","0.0005","90","","102.043","0.003","90","","3059.3","0.2","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Ag F4 N5 O3 -","- C12 H10 Ag F4 N5 O3 -","- C96 H80 Ag8 F32 N40 O24 -","8","1","","Eberhard, Jens; Stoll, Ion; Brockhinke, Regina; Neumann, Beate; Stammler, Hans-Georg; Riefer, Arthur; Rauls, Eva; Schmidt, Wolf Gero; Mattay, Jochen","Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report and overview","CrystEngComm","2013","15","21","4225","","10.1039/c2ce26388b","","","0.71073","MoKα","","0.0613","0.0336","","","0.0792","0.0876","","","","","","0.992","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210034","12.643","0.003","6.0744","0.0016","31.164","0.009","90","","101.399","0.005","90","","2346.1","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F N O4 -","- C29 H24 F N O4 -","- C116 H96 F4 N4 O16 -","4","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0687","0.0411","","","0.0985","0.1136","","","","","","1.017","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210035","10.01","0.002","6.179","0.0013","12.767","0.003","90","","107.203","0.003","90","","754.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 F N O2 -","- C18 H16 F N O2 -","- C36 H32 F2 N2 O4 -","2","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0388","0.0374","","","0.0915","0.0927","","","","","","1.059","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210036","12.742","0.003","6.0989","0.0013","30.926","0.007","90","","101.313","0.003","90","","2356.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24 F N O4 -","- C29 H24 F N O4 -","- C116 H96 F4 N4 O16 -","4","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0558","0.0479","","","0.1341","0.1409","","","","","","1.09","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210037","6.3741","0.0012","8.417","0.0015","27.401","0.005","90","","90","","90","","1470.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 F N O2 -","- C18 H16 F N O2 -","- C72 H64 F4 N4 O8 -","4","1","","Kobayashi, Yuhei; Sato, Tomohiro; Tanaka, Yuki; Harada, Takunori; Kuroda, Reiko; Imai, Yoshitane","Control of variable composition structures by fluorine substituent in supramolecular organic fluorophore composed of 2-naphthalenecarboxylic acid","CrystEngComm","2013","15","23","4624","","10.1039/c2ce26795k","","","0.71075","MoKα","","0.0438","0.0407","","","0.1081","0.1101","","","","","","1.082","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210038","13.5941","0.0012","14.3621","0.0012","14.2561","0.0012","90","","96.141","0.002","90","","2767.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Bpene","","","- C24 H25 N7 Ni2 O3 S -","- C21 H18.5 N6.5 Ni2 O2.99 S -","- C84 H74 N26 Ni8 O11.96 S4 -","4","1","","Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; Zavalij, P.; Espinal, L.; Siderius, D. W.; Allen, A. J.; Scheins, S.; Matranga, C.","Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4]","CrystEngComm","2013","15","23","4684","","10.1039/c3ce00017f","","","0.41328","","","0.1485","0.0448","","","0.0951","0.1064","","","","","","0.928","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210039","10.2891","0.0012","28.065","0.003","7.9247","0.0009","90","","90.885","0.002","90","","2288.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole hydrochloride salt","Aripiprazole hydrochloride salt","","- C23 H28 Cl3 N3 O2 -","- C23 H28 Cl3 N3 O2 -","- C92 H112 Cl12 N12 O8 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.0756","0.0627","","","0.142","0.1504","","","","","","1.101","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210040","14.9688","0.001","9.9536","0.0006","20.9154","0.0014","90","","108.004","0.001","90","","2963.7","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole benzoate monohydrate","Aripiprazole benzoate monohydrate","","- C30 H35 Cl2 N3 O5 -","- C30 H35 Cl2 N3 O5 -","- C120 H140 Cl8 N12 O20 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.0433","0.0372","","","0.1015","0.1079","","","","","","1.031","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210041","15.1552","0.0008","9.5732","0.0005","21.5283","0.0011","90","","103.887","0.001","90","","3032.1","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole-2,4-dihydoxybenzoate","Aripiprazole-2,4-dihydoxybenzoate","","- C30 H33 Cl2 N3 O6 -","- C30 H33 Cl2 N3 O6 -","- C120 H132 Cl8 N12 O24 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.0581","0.0524","","","0.1613","0.1682","","","","","","1.053","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210042","30.4165","0.0019","9.7801","0.0006","20.5636","0.0013","90","","105.319","0.001","90","","5899.8","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Aripiprazole-2,5-dihydroxybenzoate hemihydrate","Aripiprazole-2,5-dihydroxybenzoate hemihydrate","","- C30 H34 Cl2 N3 O6.5 -","- C30 H34 Cl2 N3 O6.5 -","- C240 H272 Cl16 N24 O52 -","8","2","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Cherukuvada, Suryanarayan","Adaptability of aripiprazole towards forming isostructural hydrogen bonding networks in multi-component salts: a rare case of strong O‒H⋯O− ↔ weak C‒H⋯O mimicry","CrystEngComm","2013","15","21","4321","","10.1039/c3ce00022b","","","0.71073","MoKα","","0.075","0.06","","","0.1514","0.1651","","","","","","1.056","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210043","14.4399","0.0008","14.5184","0.0008","15.3895","0.001","97.541","0.005","112.786","0.006","107.054","0.005","2731.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 Cu4 N20 O31 -","- C40 H26 Cu4 N20 O31 -","- C80 H52 Cu8 N40 O62 -","2","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0552","0.0322","","","0.0687","0.0714","","","","","","0.862","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210044","15.7724","0.0003","21.0412","0.0005","16.7687","0.0005","90","","96.915","0.002","90","","5524.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 Cu4 N20 O29 -","- C42 H28 Cu4 N20 O29 -","- C168 H112 Cu16 N80 O116 -","4","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0933","0.0425","","","0.0591","0.0618","","","","","","1.011","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210045","16.836","0.0004","21.2727","0.0004","15.8167","0.0004","90","","90","","90","","5664.7","0.2","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C22 H18 Cu2 N10 O15 -","- C22 H18 Cu2 N10 O15 -","- C176 H144 Cu16 N80 O120 -","8","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0569","0.0298","","","0.0593","0.0623","","","","","","0.823","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210046","16.2118","0.0004","16.2381","0.0003","22.4507","0.0005","90","","90","","90","","5910.1","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H20 Cu2 N10 O15 -","- C23 H20 Cu2 N10 O15 -","- C184 H160 Cu16 N80 O120 -","8","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0668","0.0338","","","0.0533","0.055","","","","","","0.989","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210047","23.5968","0.0008","20.9087","0.001","14.5568","0.0004","90","","98.621","0.003","90","","7100.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H46 Cu5 N20 O34 -","- C46 H40 Cu5 N20 O34.04 -","- C184 H160 Cu20 N80 O136.16 -","4","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.09","0.0552","","","0.1438","0.1678","","","","","","1.021","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210048","14.3577","0.0003","14.3577","0.0003","41.3854","0.0019","90","","90","","90","","8531.3","0.5","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C17 H18 Cu N8 O7 -","- C17 H10 Cu N8 O7 -","- C272 H160 Cu16 N128 O112 -","16","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.1146","0.0885","","","0.1858","0.1996","","","","","","1.137","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210049","13.9645","0.0001","13.9645","0.0001","35.2304","0.0005","90","","90","","90","","6870.18","0.12","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C28 H28 Cu2 N10 O14 -","- C28 H28 Cu2 N10 O14 -","- C224 H224 Cu16 N80 O112 -","8","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","1.54184","CuKα","","0.073","0.0603","","","0.1571","0.1712","","","","","","0.981","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210050","5.0173","0.0002","19.7139","0.0007","21.1911","0.0007","90","","90.675","0.003","90","","2095.88","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 Cu N8 O7.5 -","- C19 H14 Cu N8 O7.5 -","- C76 H56 Cu4 N32 O30 -","4","1","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0583","0.0403","","","0.0831","0.0896","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210051","4.8279","0.0002","10.5174","0.0004","13.4622","0.0004","103.093","0.003","98.068","0.003","92.034","0.003","657.6","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cd2 N10 O16 -","- C20 H16 Cd2 N10 O16 -","- C20 H16 Cd2 N10 O16 -","1","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0178","0.0166","","","0.0403","0.0405","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210052","11.9076","0.0004","11.9605","0.0004","12.866","0.0004","93.78","0.003","90.696","0.003","110.675","0.003","1709.42","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H76 Cd2 N22 O14 -","- C56 H73.036 Cd2 N22 O14 -","- C56 H73.036 Cd2 N22 O14 -","1","0.5","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0498","0.0349","","","0.0747","0.0771","","","","","","0.92","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210053","13.616","0.0002","13.616","0.0002","42.9496","0.0015","90","","90","","90","","7962.7","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C60 H56 Cd4 N32 O32 -","- C60 H56 Cd4 N32 O32 -","- C240 H224 Cd16 N128 O128 -","4","0.25","","Yang, Yan; Du, Peng; Yang, Jin; Kan, Wei-Qiu; Ma, Jian-Fang","A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers","CrystEngComm","2013","15","21","4357","","10.1039/c3ce00034f","","","0.71073","MoKα","","0.0731","0.0567","","","0.1425","0.1475","","","","","","0.955","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210054","8.9442","0.0018","9.2624","0.0019","16.481","0.003","94.62","0.03","97.63","0.03","104.75","0.03","1299.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H64 Cl2 Co4 O57 Ru4 -","- C8 H64 Cl2 Co4 O57 Ru4 -","- C8 H64 Cl2 Co4 O57 Ru4 -","1","0.5","","Liu, Bin; Jia, Yan-Yan; Jin, Jin; Liu, Xue-Mei; Xue, Gang-Lin","Layer structural bimetallic metamagnets obtained from the aggregation of Ru2(CO3)43− and Co2+ in existence of halogen","CrystEngComm","2013","15","21","4280","","10.1039/c3ce00071k","","","0.71073","MoKα","","0.0773","0.0691","","","0.1807","0.1866","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210055","15.064","0.003","16.143","0.003","10.759","0.002","90","","100.26","0.03","90","","2574.5","0.9","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H72 Br4 Co8 O106 Ru8 -","- C16 H72 Br4 Co8 O106 Ru8 -","- C16 H72 Br4 Co8 O106 Ru8 -","1","0.125","","Liu, Bin; Jia, Yan-Yan; Jin, Jin; Liu, Xue-Mei; Xue, Gang-Lin","Layer structural bimetallic metamagnets obtained from the aggregation of Ru2(CO3)43− and Co2+ in existence of halogen","CrystEngComm","2013","15","21","4280","","10.1039/c3ce00071k","","","0.71073","MoKα","","0.0696","0.0513","","","0.1145","0.1227","","","","","","1.083","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210056","14.1443","0.0015","14.3491","0.0015","15.0776","0.0016","109.334","0.005","105.904","0.005","99.933","0.005","2657.6","0.5","210","2","210","2","","","","","","","","5","P 1","P 1","1","","","","- C58 H32 F8 I4 N4 -","- C58 H32 F8 I4 N4 -","- C116 H64 F16 I8 N8 -","2","2","","Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.","Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes","CrystEngComm","2013","15","21","4386","","10.1039/c3ce26732f","","","0.71073","MoKα","","0.1804","0.0874","","","0.1678","0.2062","","","","","","1.047","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7210057","14.4076","0.0015","16.0078","0.0017","22.228","0.003","90","","93.266","0.005","90","","5118.2","1","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H32 F8 I4 N4 -","- C58 H32 F8 I4 N4 -","- C232 H128 F32 I16 N16 -","4","1","","Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.","Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes","CrystEngComm","2013","15","21","4386","","10.1039/c3ce26732f","","","0.71073","MoKα","","0.0512","0.0341","","","0.0708","0.0779","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210058","13.137","0.0014","9.4089","0.001","34.762","0.004","90","","91.436","0.005","90","","4295.4","0.8","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 F4 I2 N4 -","- C52 H32 F4 I2 N4 -","- C208 H128 F16 I8 N16 -","4","1","","Pigge, F. Christopher; Kapadia, Pradeep P.; Swenson, Dale C.","Halogen bonded networks from pyridyl-substituted tetraarylethylenes and diiodotetrafluorobenzenes","CrystEngComm","2013","15","21","4386","","10.1039/c3ce26732f","","","0.71073","MoKα","","0.0551","0.0431","","","0.1141","0.1236","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210059","14.8991","0.0011","16.8272","0.0012","22.2685","0.0017","73.868","0.004","74.7","0.004","66.883","0.003","4856.2","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H147 Mn Mo6 N10 O26 -","- C72 H147 Mn Mo6 N9.65 O26 -","- C144 H294 Mn2 Mo12 N19.3 O52 -","2","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0385","0.0287","","","0.0677","0.075","","","","","","1.046","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210060","18.0293","0.0007","20.8575","0.0008","26.7597","0.0011","90","","90","","90","","10062.9","0.7","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C79 H153 Mn Mo6 N8 O29 -","- C69.3 H128.5 Mn Mo6 N7.1 O28.4 -","- C277.2 H514 Mn4 Mo24 N28.4 O113.6 -","4","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.1592","0.0823","","","0.1817","0.2247","","","","","","1.056","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210061","28.3641","0.0005","23.7876","0.0005","15.0216","0.0003","90","","90","","90","","10135.3","0.3","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C68 H138 Mn Mo6 N7 O30 -","- C68 H136 Mn Mo6 N7 O30 -","- C272 H544 Mn4 Mo24 N28 O120 -","4","0.5","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0673","0.0482","","","0.1211","0.1302","","","","","","1.065","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210062","14.9246","0.0008","17.3492","0.001","20.5931","0.0011","77.925","0.004","78.223","0.003","74.076","0.003","4952.7","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H151 Mn Mo6 N10 O30 -","- C76 H133 Mn Mo6 N10 O30 -","- C152 H266 Mn2 Mo12 N20 O60 -","2","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.1347","0.0831","","","0.1661","0.1891","","","","","","1.095","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210063","17.8569","0.0002","27.1013","0.0003","21.2905","0.0002","90","","90.111","0.001","90","","10303.4","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C77 H161 Mn Mo6 N8 O33 -","- C75.2 H156.6 Mn Mo6 N7.5 O32.5 -","- C300.8 H626.4 Mn4 Mo24 N30 O130 -","4","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0553","0.0375","","","0.0891","0.0998","","","","","","1.037","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210064","17.24","0.0006","27.204","0.0011","20.4735","0.0008","90","","91.794","0.002","90","","9597.3","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H146 Mn Mo6 N7 O30 -","- C72 H146 Mn Mo6 N7 O30 -","- C288 H584 Mn4 Mo24 N28 O120 -","4","1","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.127","0.0551","","","0.0985","0.1263","","","","","","1.006","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210065","23.8498","0.0006","14.573","0.0003","15.4775","0.0004","90","","90","","90","","5379.4","0.2","150","2","150","2","","","","","","","","6","P m n a","-P 2ac 2","53","","","","- C78 H146 Mn Mo6 N7 O32 -","- C57 H14 Mn Mo6 N6.6 O32 -","- C114 H28 Mn2 Mo12 N13.2 O64 -","2","0.25","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.0812","0.0672","","","0.2065","0.2248","","","","","","1.086","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210066","23.5808","0.0003","24.7645","0.0003","29.9716","0.0004","100.967","0.002","103.918","0.002","93.897","0.002","16559.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C143 H219 Mn Mo6 N10 O37 -","- C138.5 H201.1 Mn Mo6 N8.6 O36.65 -","- C554 H804.4 Mn4 Mo24 N34.4 O146.6 -","4","2","","Hutin, Marie; Yvon, Carine; Yan, Jun; Macdonell, Andrew; Long, De-Liang; Cronin, Leroy","Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates","CrystEngComm","2013","15","22","4422","","10.1039/c3ce26816k","","","0.71073","MoKα","","0.1114","0.0497","","","0.1622","0.1866","","","","","","0.986","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210067","7.1512","0.00005","7.1512","0.00005","11.963","0.00011","90","","90","","120","","529.82","0.007","120","0.1","120","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0118","0.0111","","","0.0282","0.0283","","","","","","1.418","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210068","7.1641","0.00017","7.1641","0.00017","12.0317","0.0003","90","","90","","120","","534.79","0.02","150","0.1","150","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0212","0.0198","","","0.0516","0.0523","","","","","","1.205","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210069","7.17619","0.00014","7.17619","0.00014","12.1229","0.0003","90","","90","","120","","540.66","0.02","200","0.1","200","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0186","0.0167","","","0.0441","0.0447","","","","","","1.259","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210070","7.18791","0.00013","7.18791","0.00013","12.229","0.0003","90","","90","","120","","547.176","0.019","250","0.1","250","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0185","0.0155","","","0.0395","0.0404","","","","","","1.257","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210071","7.19508","0.00011","7.19508","0.00011","12.2986","0.0003","90","","90","","120","","551.388","0.018","280","0.1","280","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0192","0.0161","","","0.0421","0.043","","","","","","1.195","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210072","7.20163","0.00011","7.20163","0.00011","12.3501","0.0003","90","","90","","120","","554.706","0.018","300","0.1","300","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0203","0.0169","","","0.0407","0.0416","","","","","","1.186","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210073","7.20634","0.00014","7.20634","0.00014","12.402","0.0004","90","","90","","120","","557.77","0.02","320","0.1","320","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0228","0.0187","","","0.0431","0.0443","","","","","","1.219","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210074","7.21109","0.00019","7.21109","0.00019","12.461","0.0005","90","","90","","120","","561.16","0.03","340","0.1","340","0.1","","","","","","","","4","P 63 m c","P 6c -2c","186","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C4 H24 I4 N12 -","4","0.333333","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0254","0.0206","","","0.0479","0.0493","","","","","","1.183","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210075","5.23783","0.00009","7.54922","0.00014","6.98292","0.00013","90","","96.7315","0.0017","90","","274.212","0.009","360","0.1","360","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","guanidinium iodide","","","- C H6 I N3 -","- C H6 I N3 -","- C2 H12 I2 N6 -","2","0.5","","Szafrański, Marek; Jarek, Marcin","Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide","CrystEngComm","2013","15","23","4617","","10.1039/c3ce26979e","","","0.71073","MoKα","","0.0259","0.0232","","","0.0563","0.0583","","","","","","1.089","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210076","9.189","0.003","16.271","0.006","19.01","0.007","114.021","0.005","98.024","0.005","94.551","0.006","2541.4","1.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H54 N10 O12 S4 -","- C46 H54 N10 O12 S4 -","- C92 H108 N20 O24 S8 -","2","1","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1457","0.0892","","","0.1754","0.1987","","","","","","1.128","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210077","12.501","0.006","19.167","0.009","16.971","0.006","90","","120.12","0.02","90","","3517","3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H102 N12 O12 S -","- C70 H102 N12 O12 S -","- C140 H204 N24 O24 S2 -","2","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1885","0.1266","","","0.2498","0.2759","","","","","","1.196","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210078","9.538","0.012","13.957","0.017","22","0.03","94.69","0.015","100.617","0.017","99.018","0.016","2824","6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H174 N14 O16 S2 -","- C102 H174 N14 O16 S2 -","- C102 H174 N14 O16 S2 -","1","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1487","0.079","","","0.1506","0.1768","","","","","","1.122","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210079","27.889","0.004","16.427","0.002","24.753","0.003","90","","98.54","0.002","90","","11214","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H174 N14 O16 S2 -","- C102 H174 N14 O16 S2 -","- C408 H696 N56 O64 S8 -","4","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1931","0.104","","","0.1741","0.199","","","","","","1.002","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210080","12.43","0.005","14.615","0.006","21.187","0.009","90","","97.784","0.006","90","","3813","3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H108 N12 O12 -","- C74 H98 N12 O12 -","- C148 H196 N24 O24 -","2","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1552","0.0827","","","0.165","0.1952","","","","","","1.044","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210081","8.627","0.003","35.844","0.011","13.66","0.004","90","","102.017","0.004","90","","4131","2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H112 N12 O12 -","- C84 H112 N12 O12 -","- C168 H224 N24 O24 -","2","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.1293","0.0837","","","0.1944","0.2225","","","","","","1.063","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210082","23.764","0.005","17.225","0.004","20.791","0.005","90","","113.214","0.003","90","","7821","3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C78 H106 N12 O12 -","- C78 H106 N12 O12 -","- C312 H424 N48 O48 -","4","1","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.2458","0.1378","","","0.1693","0.1925","","","","","","1.172","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210083","41.951","0.007","8.8842","0.0015","19.048","0.003","90","","99.546","0.002","90","","7001","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H102 Cl2 N12 O8 -","- C70 H102 Cl2 N12 O8 -","- C280 H408 Cl8 N48 O32 -","4","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.0616","0.054","","","0.1511","0.16","","","","","","1.033","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210084","8.9484","0.0019","9.473","0.002","21.594","0.005","83.826","0.003","84.847","0.002","80.815","0.003","1791.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H102 Br2 N12 O8 -","- C70 H102 Br2 N12 O8 -","- C70 H102 Br2 N12 O8 -","1","0.5","","Wang, Jiamin; Li, Shaoguang; Yang, Peiju; Huang, Xiaojuan; Yang, Xiao-Juan; Wu, Biao","From anion complexes to anion coordination polymers (ACPs): assembly with a 1,5-naphthylene bridged bis-bisurea ligand","CrystEngComm","2013","15","22","4540","","10.1039/c3ce26982e","","","0.71073","MoKα","","0.0606","0.0479","","","0.1412","0.1615","","","","","","1.13","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210085","17.8097","0.0008","7.9282","0.0004","25.8018","0.0009","90","","119.499","0.002","90","","3170.9","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 N10 O6 -","- C31 H38 N10 O6 -","- C124 H152 N40 O24 -","4","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Sawant, Kamlesh D.; Naik, Tushar A.; Patkar, Laxmikant N.; Cherukuvada, Suryanarayan; Sreedhar, Bojja","Polymorphism in metformin embonate salt ‒ recurrence of dimeric and tetrameric guanidinium‒carboxylate synthons","CrystEngComm","2013","15","22","4448","","10.1039/c3ce26986h","","","0.71073","MoKα","","0.0653","0.0439","","","0.1171","0.1364","","","","","","1.046","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210086","7.468","0.0006","13.8016","0.0011","16.2856","0.0013","73.334","0.001","83.171","0.001","82.666","0.001","1588.9","0.2","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H38 N10 O6 -","- C31 H38 N10 O6 -","- C62 H76 N20 O12 -","2","1","","Nanubolu, Jagadeesh Babu; Sridhar, Balasubramanian; Ravikumar, Krishnan; Sawant, Kamlesh D.; Naik, Tushar A.; Patkar, Laxmikant N.; Cherukuvada, Suryanarayan; Sreedhar, Bojja","Polymorphism in metformin embonate salt ‒ recurrence of dimeric and tetrameric guanidinium‒carboxylate synthons","CrystEngComm","2013","15","22","4448","","10.1039/c3ce26986h","","","0.71073","MoKα","","0.0405","0.0363","","","0.104","0.1083","","","","","","1.04","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210087","11.399","0.0004","15.5354","0.0005","9.2351","0.0003","90","","109.568","0.004","90","","1540.97","0.1","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","1","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","","","0.71073","MoKα","","0.0802","0.044","","0.1142","0.0885","0.1136","","","","","","0.97","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210088","10.353","0.0003","12.3146","0.0003","9.4233","0.0002","90","","90","","90","","1201.41","0.05","173.1","","173.1","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C48 H48 N16 O4 -","4","0.5","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","","","0.71073","","","0.054","0.0395","","0.1093","0.0947","0.1093","","","","","","0.9727","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210089","4.537803","","19.75839","","19.85653","","90","","95.3888","","90","","1772.46","","","","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 N4 O -","- C20 H16 N4 O -","- C80 H64 N16 O4 -","4","2","","Fahsi, Karim; Deschamps, Jérôme; Chougrani, Kamel; Viau, Lydie; Boury, Bruno; Vioux, André; van der Lee, Arie; Dutremez, Sylvain G.","Stability and solid-state polymerization reactivity of imidazolyl- and benzimidazolyl-substituted diacetylenes: pivotal role of lattice water","CrystEngComm","2013","15","21","4261","","10.1039/c3ce27057b","powder diffraction","","1.541","X-rays","","","","","","","","","","","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7210090","29.5404","0.0012","29.5404","0.0012","14.9218","0.0012","90","","90","","120","","11276.8","1.1","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 Ce N2 Na0.33 O10 -","- C50 H32 Ce N2 Na0.333333 O10 -","- C450 H288 Ce9 N18 Na3 O90 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0412","0.0332","","","0.0984","0.1073","","","","","","1.001","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210091","22.264","0.012","28.623","0.016","29.104","0.015","90","","90","","90","","18547","17","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H14 Eu N3 O7 -","- C24 H14 Eu N3 O7 -","- C768 H448 Eu32 N96 O224 -","32","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0459","0.0359","","","0.1287","0.1336","","","","","","0.996","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210092","29.6966","0.0013","29.6966","0.0013","14.9618","0.0012","90","","90","","120","","11426.9","1.2","295","2","295","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 Gd N2 Na0.33 O10 -","- C50 H32 Gd N2 Na0.333333 O10 -","- C450 H288 Gd9 N18 Na3 O90 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.1196","0.0732","","","0.2235","0.2671","","","","","","1.001","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210093","29.5657","0.0012","29.5657","0.0012","14.8222","0.0011","90","","90","","120","","11220.7","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C50 H34.67 N2 Na0.33 O10 Pr -","- C50 H30.66 N2 Na0.333333 O10 Pr -","- C450 H275.94 N18 Na3 O90 Pr9 -","9","0.5","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0422","0.036","","","0.1006","0.1058","","","","","","1","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210094","22.304","0.003","28.721","0.004","29.158","0.004","90","","90","","90","","18678","4","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H14 N3 O7 Sm -","- C24 H12 N3 O7 Sm -","- C768 H384 N96 O224 Sm32 -","32","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian","Syntheses, structures, and luminescence of four lanthanide metal‒organic frameworks based on lanthanide-oxide chains with C2- or C3-symmetric trigonal-planar polycarboxylate ligands","CrystEngComm","2013","15","24","4910","","10.1039/c3ce27082c","","","0.71073","MoKα","","0.0512","0.0403","","","0.1308","0.1373","","","","","","0.997","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210095","6.1029","0.001","21.056","0.003","6.3665","0.0009","90","","100.526","0.016","90","","804.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Ni O2 S4 -","- C12 H18 Ni O2 S4 -","- C24 H36 Ni2 O4 S8 -","2","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.1005","0.0626","","","0.1343","0.166","","","","","","1.01","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210096","6.1216","0.0011","10.3788","0.0016","10.7918","0.0009","78.834","0.011","76.312","0.012","83.671","0.013","652.08","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 N4 Ni O2 S4 -","- C24 H22 N4 Ni O2 S4 -","- C24 H22 N4 Ni O2 S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.0897","0.0575","","","0.1549","0.1758","","","","","","0.968","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210097","6.2494","0.0004","6.9702","0.0005","15.3641","0.0013","80.996","0.006","82.99","0.006","89.46","0.005","656.03","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 N2 Ni O2 S4 -","- C26 H24 N2 Ni O2 S4 -","- C26 H24 N2 Ni O2 S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.0877","0.0569","","","0.1374","0.1526","","","","","","0.997","","","","has coordinates,has disorder","180431","2020-10-21","18:00:00",""
"7210098","17.2196","0.0009","5.8144","0.0003","13.3549","0.0006","90","","98.728","0.005","90","","1321.63","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Ni O2 S4 -","- C30 H22 Ni O2 S4 -","- C60 H44 Ni2 O4 S8 -","2","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.109","0.0586","","","0.1199","0.1413","","","","","","1.004","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210099","6.414","0.0006","7.9477","0.0008","14.5825","0.0013","98.677","0.008","97.771","0.008","106.057","0.009","693.83","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 N2 Ni O2 S4 -","- C26 H32 N2 Ni O2 S4 -","- C26 H32 N2 Ni O2 S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.1713","0.0669","","","0.0965","0.1239","","","","","","0.903","","","","has coordinates","180431","2020-10-21","18:00:00",""
"7210100","6.4456","0.0014","10.11","0.002","11.407","0.003","76","0.019","80.634","0.019","73.41","0.02","687.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N4 Ni S4 -","- C28 H26 N4 Ni S4 -","- C28 H26 N4 Ni S4 -","1","0.5","","Rajput, Gunjan; Singh, Vikram; Gupta, Ajit N.; Yadav, Manoj Kumar; Kumar, Vinod; Singh, Santosh Kumar; Prasad, Akhilesh; Drew, Michael G. B.; Singh, Nanhai","Unusual C‒H⋯Ni anagostic interactions in new homoleptic Ni(ii) dithio complexes","CrystEngComm","2013","15","23","4676","","10.1039/c3ce27096c","","","0.71073","MoKα","","0.1379","0.0867","","","0.2541","0.2835","","","","","","1.132","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210101","15.916","0.003","19.127","0.004","8.2011","0.0016","90","","90","","90","","2496.6","0.9","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C6 H8 Cd N10 O2 -","- C6 H8 Cd N10 O2 -","- C48 H64 Cd8 N80 O16 -","8","0.5","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0199","0.0196","","","0.0476","0.0481","","","","","","1.154","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210102","17.665","0.003","10.105","0.002","7.1333","0.0014","90","","91.73","0.03","90","","1272.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 N10 O3 Zn -","- C6 H8 N10 O3 Zn -","- C24 H32 N40 O12 Zn4 -","4","0.5","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0321","0.0309","","","0.0787","0.0794","","","","","","1.138","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210103","7.0989","0.0014","9.0946","0.0018","8.1688","0.0016","90","","102.65","0.03","90","","514.59","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Cu N10 O2 -","- C6 H8 Cu N10 O2 -","- C12 H16 Cu2 N20 O4 -","2","0.5","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0377","0.0352","","","0.0838","0.0851","","","","","","1.156","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210104","9.3707","0.0019","12.181","0.002","9.1857","0.0018","90","","90","","90","","1048.5","0.3","113","2","113","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C6 H8 Mn N10 O2 -","- C6 H8 Mn N10 O2 -","- C24 H32 Mn4 N40 O8 -","4","","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0731","0.0705","","","0.1862","0.1888","","","","","","1.303","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210105","9.4928","0.0019","18.587","0.004","8.9107","0.0018","90","","115.98","0.03","90","","1413.3","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H12 Cd N10 O2 -","- C8 H12 Cd N10 O2 -","- C32 H48 Cd4 N40 O8 -","4","1","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.0231","0.0228","","","0.048","0.0481","","","","","","1.035","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210106","9.811","0.002","18.035","0.004","8.8072","0.0018","90","","117.44","0.03","90","","1383","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C8 H12 Mn N10 O2 -","- C8 H12 Mn N10 O2 -","- C32 H48 Mn4 N40 O8 -","4","1","","Liao, Jian-Zhen; Ke, Hua; Liu, Jian-Jun; Li, Zuo-Yin; Lin, Mei-Jin; Wang, Jun-Dong; Huang, Chang-Cang","Coordination polymers of tetrazole-yl acylamide with octahedrally coordinated divalent transition metals: the effects of metal centers and side-groups on the structural topologies and symmetries","CrystEngComm","2013","15","24","4830","","10.1039/c3ce27100e","","","0.71073","MoKα","","0.079","0.0747","","","0.1766","0.1809","","","","","","1.129","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210107","22.1366","0.0006","10.4274","0.0003","10.7186","0.0003","90","","90","","90","","2474.14","0.12","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H14 N4 O2 -","- C12 H14 N4 O2 -","- C96 H112 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71073","MoKα","","0.054","0.039","","","0.085","0.092","","","","","","1.04","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210108","10.057","0.003","17.51","0.004","14.102","0.004","90","","95.722","0.003","90","","2471","1.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 F N4 O2 -","- C12 H13 F N4 O2 -","- C96 H104 F8 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.6911","synchrotron","","0.081","0.064","","","0.174","0.187","","","","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210109","12.6207","0.0007","9.8187","0.0005","11.0587","0.0007","90","","105.846","0.003","90","","1318.31","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N4 O2 -","- C12 H13 Cl N4 O2 -","- C48 H52 Cl4 N16 O8 -","4","1","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71073","MoKα","","0.08","0.047","","","0.117","0.134","","","","","","1.03","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210110","12.7435","0.0003","9.9927","0.0002","11.115","0.0003","90","","105.305","0.0013","90","","1365.21","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br N4 O2 -","- C12 H13 Br N4 O2 -","- C48 H52 Br4 N16 O8 -","4","1","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71073","MoKα","","0.041","0.028","","","0.066","0.071","","","","","","1.02","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210111","11.033","0.002","10.411","0.002","24.957","0.005","90","","90","","90","","2866.7","1","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H13 I N4 O2 -","- C12 H13 I N4 O2 -","- C96 H104 I8 N32 O16 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.6893","synchrotron","","0.05","0.036","","","0.074","0.079","","","","","","1.01","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210112","8.965","0.004","9.911","0.004","15.067","0.007","90","","96.587","0.014","90","","1329.9","1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N4 O3 -","- C13 H16 N4 O3 -","- C52 H64 N16 O12 -","4","1","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71069","MoKα","","0.066","0.056","","","0.123","0.129","","","","","","1.17","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210113","10.1622","0.0019","17.127","0.003","15.487","0.003","90","","92.476","0.007","90","","2693","0.9","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N5 O4 -","- C12 H13 N5 O4 -","- C96 H104 N40 O32 -","8","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.71069","MoKα","","0.088","0.07","","","0.15","0.159","","","","","","1.18","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210114","7.2818","0.0011","11.242","0.003","16.916","0.004","87.87","0.02","88.86","0.04","88.29","0.02","1383","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl2 N4 O2 -","- C12 H12 Cl2 N4 O2 -","- C48 H48 Cl8 N16 O8 -","4","2","","Cunha, Anna C.; Ferreira, Vitor F.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Wardell, Solange M. S. V.; Wardell, James L.; Tan, Peiyu Amelia; Bettens, Ryan P. A.; Seth, Saikat Kumar; Tiekink, Edward R. T.","Aryl-substituents moderate the nature of hydrogen bonds, N‒H⋯N versus N‒H⋯O, leading to supramolecular chains in the crystal structures of N-arylamino 1,2,3-triazole esters","CrystEngComm","2013","15","24","4917","","10.1039/c3ce40102b","","","0.6893","Synchrotron","","0.059","0.051","","","0.131","0.136","","","","","","1.11","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210115","20.769","0.002","11.6795","0.0012","20.382","0.002","90","","105.572","0.001","90","","4762.6","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Cd F3 N3 O5.5 -","- C24 H19 Cd F3 N3 O5.5 -","- C192 H152 Cd8 F24 N24 O44 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0469","0.0407","","","0.1053","0.1098","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210116","20.75","0.004","11.66","0.002","20.045","0.004","90","","105.057","0.002","90","","4683.3","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H15 Cd F3 N3 O4 -","- C24 H15 Cd F3 N3 O4 -","- C192 H120 Cd8 F24 N24 O32 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0594","0.0409","","","0.0925","0.1026","","","","","","1.029","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210117","27.5676","0.0009","27.5676","0.0009","14.3113","0.001","90","","90","","90","","10876.2","0.9","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C57 H51 Co2 F6 N6 O10 -","- C57 H51 Co2 F6 N6 O10 -","- C456 H408 Co16 F48 N48 O80 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0783","0.0465","","","0.0806","0.0877","","","","","","1.009","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210118","27.4279","0.0014","27.4279","0.0014","14.309","0.0019","90","","90","","90","","10764.5","1.6","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C57 H51 F6 N6 Ni2 O10 -","- C57 H51 F6 N6 Ni2 O10 -","- C456 H408 F48 N48 Ni16 O80 -","8","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.1227","0.0619","","","0.1161","0.1404","","","","","","1.031","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210119","13.023","0.016","10.525","0.013","14.555","0.019","90","","95.706","0.015","90","","1985","4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Cu F3 N2 O4 -","- C21 H15 Cu F3 N2 O4 -","- C84 H60 Cu4 F12 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.1948","0.0745","","","0.1424","0.1871","","","","","","1.005","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210120","13.567","0.003","11.779","0.002","11.206","0.002","90","","90","","90","","1790.8","0.6","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H10 Cu F4 N2 O4 -","- C20 H10 Cu F4 N2 O4 -","- C80 H40 Cu4 F16 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0413","0.0301","","","0.0563","0.0609","","","","","","1.049","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210121","14.162","0.003","13.601","0.003","10.898","0.002","90","","90","","90","","2099.1","0.7","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C20 H10 Cl4 Cu N2 O4 -","- C20 H10 Cl4 Cu N2 O4 -","- C80 H40 Cl16 Cu4 N8 O16 -","4","1","","Liu, Guang-Zhen; Li, Shi-Hui; Li, Xiao-Ling; Xin, Ling-Yun; Wang, Li-Ya","Three series of MOFs featuring various metal(ii)-carboxylate chains cross-linked by dipyridyl-typed coligands: synthesis, structure, and solvent-dependent luminescence","CrystEngComm","2013","15","22","4571","","10.1039/c3ce40109j","","","0.71073","MoKα","","0.0291","0.0239","","","0.054","0.0565","","","","","","1.029","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210122","11.302","0.005","11.733","0.005","19.506","0.005","105.608","0.005","101.952","0.005","98.351","0.005","2381.2","1.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 N2 O20 Zn4 -","- C38 H48 N2 O20 Zn4 -","- C76 H96 N4 O40 Zn8 -","2","1","","Xu, Guohai; Lv, Jianyi; Guo, Peng; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Two ligand-length-tunable interpenetrating coordination networks with stable Zn2 unit as three-connected uninode and supramolecular topologies","CrystEngComm","2013","15","22","4473","","10.1039/c3ce40117k","","","0.71069","MoKα","","0.0889","0.0491","","","0.1211","0.1375","","","","","","0.907","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210123","29.662","0.001","11.265","0.005","21.545","0.002","90","","130.711","0.001","90","","5457","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 N O9 Zn2 -","- C27 H26 N O9 Zn2 -","- C216 H208 N8 O72 Zn16 -","8","1","","Xu, Guohai; Lv, Jianyi; Guo, Peng; Zhou, Zhonggao; Du, Ziyi; Xie, Yongrong","Two ligand-length-tunable interpenetrating coordination networks with stable Zn2 unit as three-connected uninode and supramolecular topologies","CrystEngComm","2013","15","22","4473","","10.1039/c3ce40117k","","","0.71073","MoKα","","0.0415","0.0328","","","0.0891","0.0939","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210124","9.7785","0.0008","11.6587","0.0009","12.0337","0.0009","117.425","0.001","90.111","0.001","110.357","0.001","1119.78","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H50 Co Mo8 N4 O40 -","- C12 H20 Co Mo8 N4 O40 -","- C12 H20 Co Mo8 N4 O40 -","1","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0359","0.0343","","","0.0969","0.0982","","","","","","1.125","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210125","11.8266","0.0008","13.3267","0.0009","15.1283","0.0007","90","","125.293","0.003","90","","1946.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H34 Co2 Mo8 N2 O38 -","- C10 H18 Co2 Mo8 N2 O38 -","- C20 H36 Co4 Mo16 N4 O76 -","2","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0765","0.0745","","","0.2061","0.207","","","","","","1.374","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210126","11.4202","0.0003","12.6946","0.0003","15.3512","0.0004","90","","117.669","0.002","90","","1971.04","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H34 Cu2 Mo8 N2 O38 -","- C10 H16 Cu2 Mo8 N2 O38 -","- C20 H32 Cu4 Mo16 N4 O76 -","2","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0417","0.041","","","0.1064","0.1067","","","","","","1.428","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210127","9.4918","0.0009","9.9627","0.0009","17.1173","0.0016","84.318","0.002","83.069","0.002","72.651","0.002","1530.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H66 Cu3 Mo8 N4 O51 -","- C12 H14 Cu3 Mo8 N4 O51 -","- C12 H14 Cu3 Mo8 N4 O51 -","1","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.1105","0.1041","","","0.2077","0.2106","","","","","","1.301","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210128","11.8223","0.0008","13.3101","0.0009","15.1384","0.0008","90","","125.407","0.004","90","","1941.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H34 Mo8 N2 O38 Zn2 -","- C10 H17 Mo8 N2 O38 Zn2 -","- C20 H34 Mo16 N4 O76 Zn4 -","2","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0847","0.0801","","","0.192","0.1935","","","","","","1.429","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210129","9.7735","0.0003","11.6942","0.0004","12.0719","0.0004","117.561","0.001","90.082","0.001","110.577","0.001","1122.53","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H50 Mo8 N4 O40 Zn -","- C12 H20 Mo8 N4 O40 Zn -","- C12 H20 Mo8 N4 O40 Zn -","1","0.5","","Chen, Zhaofei; An, Haiyan; Zhang, Hua; Hu, Ying","Metal(ii)-directed self-assembly of amino acid functionalized polyoxometalates","CrystEngComm","2013","15","23","4711","","10.1039/c3ce40129d","","","0.71073","MoKα","","0.0357","0.0343","","","0.0895","0.0903","","","","","","1.153","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210130","6.6796","0.0004","21.6754","0.0014","9.7556","0.0007","90","","94.919","0.002","90","","1407.24","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.1012","0.041","","","0.1067","0.1347","","","","","","1.027","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210131","7.1644","0.0015","17.79","0.004","10.796","0.002","90","","96.59","0.005","90","","1366.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C64 H60 N4 O8 -","4","1","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.1505","0.062","","","0.1435","0.1871","","","","","","1.021","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210132","6.814","0.0003","18.4539","0.0009","10.2513","0.0005","90","","95.17","0.001","90","","1283.8","0.11","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.0508","0.0404","","","0.1125","0.1203","","","","","","1.086","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210133","20.0583","0.0004","7.1698","0.0001","20.374","0.0004","90","","113.15","0.001","90","","2694.13","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","2","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","1.54178","CuKα","","0.0858","0.0504","","","0.1305","0.1765","","","","","","1.114","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210134","6.8016","0.0006","12.5421","0.001","16.2644","0.0014","90","","93.012","0.002","90","","1385.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O4 -","- C32 H30 N2 O4 -","- C64 H60 N4 O8 -","2","0.5","","Kodama, Satoshi; Johmoto, Kohei; Sekine, Akiko; Fujii, Kotaro; Uekusa, Hidehiro","Structural understanding of solid-state photodimerization reactions of cinnamic amide derivatives in terms of reaction cavities ‒ color developer for thermosensitive paper","CrystEngComm","2013","15","23","4667","","10.1039/c3ce40130h","","","0.71075","MoKα","","0.1183","0.0477","","","0.1177","0.1577","","","","","","1.067","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210135","6.7183","0.0002","18.3065","0.0004","31.5007","0.0008","90","","90","","90","","3874.23","0.17","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C7 H21 Ge N3 O S6 Sb2 -","- C7 H21 Ge N3 O S6 Sb2 -","- C56 H168 Ge8 N24 O8 S48 Sb16 -","8","1","","Feng, Mei-Ling; Hu, Chun-Li; Wang, Kai-Yao; Du, Cheng-Feng; Huang, Xiao-Ying","[AEPH2][GeSb2S6]·CH3OH: a thiogermanate‒thioantimonate featuring an infinite ribbon-like structure with an unusual {GeSb3S11} unit and exhibiting the ability of photocatalytic degradation of organic dye","CrystEngComm","2013","15","25","5007","","10.1039/c3ce40143j","","","0.71073","MoKα","","0.0667","0.0384","","","0.06","0.0678","","","","","","1.015","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210136","8.4243","0.0014","12.227","0.002","13.193","0.002","96.96","0.002","93.427","0.002","101.28","0.002","1318","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N4 O6 -","- C26 H32 N4 O6 -","- C52 H64 N8 O12 -","2","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.0443","0.037","","","0.115","0.125","","","","","","0.878","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210137","9.2028","0.0009","11.529","0.0012","11.7206","0.0012","93.341","0.001","99.526","0.001","102.804","0.001","1190.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N4 O4 -","- C26 H28 N4 O4 -","- C52 H56 N8 O8 -","2","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.0413","0.0358","","","0.1322","0.1398","","","","","","1.181","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210138","6.5584","0.0005","40.426","0.003","7.1631","0.0005","90","","97.589","0.001","90","","1882.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O4 -","- C20 H23 N3 O4 -","- C80 H92 N12 O16 -","4","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.047","0.0411","","","0.1265","0.133","","","","","","0.878","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210139","8.835","0.003","10.724","0.003","15.174","0.004","91.638","0.004","100.515","0.004","106.191","0.004","1352.7","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H34 N4 O5 -","- C30 H34 N4 O5 -","- C60 H68 N8 O10 -","2","1","","Sander, John R. G.; Bučar, Dejan-Krešimir; Henry, Rodger F.; Giangiorgi, Brittany N.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","‘Masked synthons’ in crystal engineering: insulated components in acetaminophen cocrystal hydrates","CrystEngComm","2013","15","24","4816","","10.1039/c3ce40159f","","","0.71073","MoKα","","0.0715","0.0625","","","0.1653","0.1757","","","","","","1.053","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210140","11.241","0.002","9.006","0.0018","23.169","0.005","90","","94.8","0.03","90","","2337.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N4 O14 Sm -","- C18 H21 N4 O14 Sm -","- C72 H84 N16 O56 Sm4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0263","0.0231","","","0.0628","0.0644","","","","","","1.026","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210141","11.227","0.002","8.982","0.0018","23.119","0.005","90","","94.84","0.03","90","","2323","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Gd N4 O14 -","- C18 H21 Gd N4 O14 -","- C72 H84 Gd4 N16 O56 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.032","0.0274","","","0.0906","0.0962","","","","","","0.797","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210142","11.185","0.002","8.957","0.0018","23.074","0.005","90","","94.7","0.03","90","","2303.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N4 O14 Tb -","- C18 H21 N4 O14 Tb -","- C72 H84 N16 O56 Tb4 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0407","0.0339","","","0.1223","0.1314","","","","","","1.088","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210143","11.196","0.008","8.962","0.006","23.138","0.016","90","","94.772","0.008","90","","2314","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Dy N4 O14 -","- C18 H21 Dy N4 O14 -","- C72 H84 Dy4 N16 O56 -","4","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0417","0.0308","","","0.0695","0.0747","","","","","","0.972","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210144","6.5059","0.0006","9.8342","0.0008","10.9444","0.0009","99.882","0.007","106.505","0.007","106.19","0.007","620.36","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N2 O9 Tb -","- C10 H10 N2 O9 Tb -","- C20 H20 N4 O18 Tb2 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0279","0.0264","","","0.0689","0.0698","","","","","","1.05","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210145","6.482","0.002","9.848","0.003","10.907","0.004","100.004","0.003","106.484","0.003","106.293","0.003","616.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Ho N2 O9 -","- C10 H10 Ho N2 O9 -","- C20 H20 Ho2 N4 O18 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0221","0.0212","","","0.0609","0.0614","","","","","","1.117","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210146","6.733","0.002","7.45","0.003","12.049","0.004","87.684","0.004","77.44","0.004","80.434","0.003","581.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O8 Yb -","- C10 H8 N2 O8 Yb -","- C20 H16 N4 O16 Yb2 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0207","0.0194","","","0.0483","0.0489","","","","","","1.063","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210147","7.501","0.007","9.435","0.009","9.706","0.009","117.238","0.01","93.257","0.011","99.498","0.011","595.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O8 Pr -","- C10 H8 N2 O8 Pr -","- C20 H16 N4 O16 Pr2 -","2","1","","Wang, Ping; Fan, Rui-Qing; Yang, Yu-Lin; Liu, Xin-Rong; Xiao, Peng; Li, Xin-Yu; Hasi, Wuliji; Cao, Wen-Wu","1-D helical chain, 2-D layered network and 3-D porous lanthanide‒organic frameworks based on multiple coordination sites of benzimidazole-5,6-dicarboxylic acid: synthesis, crystal structure, photoluminescence and thermal stability","CrystEngComm","2013","15","22","4489","","10.1039/c3ce40184g","","","0.71073","MoKα","","0.0359","0.0298","","","0.074","0.0782","","","","","","1.008","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210148","20.6997","0.0018","5.805","0.0006","30.904","0.003","90","","104.387","0.006","90","","3597","0.6","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 F N3 O2 S -","- C21 H14 F N3 O2 S -","- C168 H112 F8 N24 O16 S8 -","8","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0746","0.0508","","","0.1116","0.1224","","","","","","1.032","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210149","20.5635","0.0007","5.8117","0.0002","32.1855","0.0011","90","","106.079","0.002","90","","3696","0.2","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 F2 N3 O2 S -","- C21 H13 F2 N3 O2 S -","- C168 H104 F16 N24 O16 S8 -","8","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0628","0.0416","","","0.097","0.1063","","","","","","1.027","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210150","8.2327","0.0016","8.8616","0.0017","13.577","0.003","87.741","0.012","85.797","0.01","73.758","0.01","948.2","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 F N3 O2 S -","- C22 H16 F N3 O2 S -","- C44 H32 F2 N6 O4 S2 -","2","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0951","0.0488","","","0.1181","0.1412","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210151","8.4625","0.0004","8.7356","0.0004","13.4092","0.0006","86.664","0.003","82.318","0.003","74.281","0.003","945.39","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 F N3 O3 S -","- C22 H16 F N3 O3 S -","- C44 H32 F2 N6 O6 S2 -","2","1","","Panini, Piyush; Mohan, T. P.; Gangwar, Usma; Sankolli, Ravish; Chopra, Deepak","Quantitative crystal structure analysis of 1,3,4-thiadiazole derivatives","CrystEngComm","2013","15","22","4549","","10.1039/c3ce40278a","","","0.71073","MoKα","","0.0951","0.0488","","","0.0961","0.1104","","","","","","1.012","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210152","12.876","0.003","18.938","0.004","28.202","0.006","90","","90","","90","","6877","3","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C16 H72 Cl N16 O40 V15 Zn4 -","- C16 H64 Cl N16 O40 V15 Zn4 -","- C64 H256 Cl4 N64 O160 V60 Zn16 -","4","1","","Zhou, Jian; Liu, Xing; Hu, Feilong; Chen, Rong; Zou, Huahong; Fu, Wensheng; Liang, Guoming; Chen, Yi","A novel 3-D chiral polyoxovanadate architecture based on breaking high symmetry of spherical [V15O36Cl]8− cluster","CrystEngComm","2013","15","23","4593","","10.1039/c3ce40280k","","","0.71073","MoKα","","0.0605","0.054","","","0.1528","0.1583","","","","","","1.059","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210153","3.8348","0.0009","12.718","0.003","14.067","0.003","90","","90","","90","","686.1","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H7 N O -","- C9 H7 N O -","- C36 H28 N4 O4 -","4","1","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.039","0.0354","","","0.089","0.0908","","","","","","1.04","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210154","6.9109","0.0014","12.289","0.003","12.647","0.003","112.713","0.008","93.424","0.007","103.103","0.007","951.9","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C44 H36 N4 O12 -","2","1","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.0677","0.0603","","","0.1615","0.1647","","","","","","1.214","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210155","3.908","0.0006","23.78","0.004","11.839","0.002","90","","100.833","0.009","90","","1080.6","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O6 -","- C26 H22 N2 O6 -","- C52 H44 N4 O12 -","2","0.5","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.0524","0.0482","","","0.1259","0.136","","","","","","1.074","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210156","5.1396","0.0015","12.118","0.004","11.792","0.003","90","","112.482","0.011","90","","678.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-Difluorobenzamide","","","- C7 H5 F2 N O -","- C7 H5 F2 N O -","- C28 H20 F8 N4 O4 -","4","1","","Mukherjee, Arijit; Tothadi, Srinu; Chakraborty, Shaunak; Ganguly, Somnath; Desiraju, Gautam R.","Synthon identification in co-crystals and polymorphs with IR spectroscopy. Primary amides as a case study","CrystEngComm","2013","15","23","4640","","10.1039/c3ce40286j","","","0.71073","MoKα","","0.0393","0.0355","","","0.0909","0.0934","","","","","","1.055","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210157","5.4942","0.0004","15.1735","0.001","10.498","0.0007","90","","101.707","0.001","90","","856.97","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","4-Aminopyridinium 4-nitrophenolate 4-nitrophenol","4-Aminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H16 N4 O6 -","- C17 H16 N4 O6 -","- C34 H32 N8 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0249","0.0241","","","0.0681","0.0688","","","","","","1.058","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210158","14.0366","0.001","10.7686","0.0007","11.8026","0.0008","90","","90","","90","","1784","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","2-Amino,6-methylpyridinium 4-nitrophenolate 4-nitrophenol","2-Amino,6-methylpyridinium 4-nitrophenolate 4-nitrophenol","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C72 H72 N16 O24 -","4","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0514","0.0434","","","0.0951","0.0989","","","","","","1.091","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210159","5.5319","0.0005","15.2012","0.0015","10.6928","0.001","90","","104.581","0.002","90","","870.21","0.14","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3,4-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","3,4-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C34 H34 N10 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0391","0.0372","","","0.0993","0.101","","","","","","1.069","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210160","5.4588","0.0004","15.0882","0.0012","10.8815","0.0009","90","","104.21","0.001","90","","868.82","0.12","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2,3-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","2,3-Diaminopyridinium 4-nitrophenolate 4-nitrophenol","","- C17 H17 N5 O6 -","- C17 H17 N5 O6 -","- C34 H34 N10 O12 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.03","0.0277","","","0.0714","0.0729","","","","","","1.031","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210161","11.367","0.002","3.8092","0.0007","13.278","0.003","90","","112.892","0.003","90","","529.65","0.18","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","3-Aminopyridine 4-nitrophenol","3-Aminopyridine 4-nitrophenol","","- C11 H11 N3 O3 -","- C11 H11 N3 O3 -","- C22 H22 N6 O6 -","2","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0579","0.0527","","","0.1347","0.1393","","","","","","1.071","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210162","5.016","0.0004","21.6277","0.0016","15.7012","0.0013","90","","90.769","0.001","90","","1703.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,3-Diaminopyrimidinium 4-nitrophenolate 4-nitrophenol","2,3-Diaminopyrimidinium 4-nitrophenolate 4-nitrophenol","","- C16 H16 N6 O6 -","- C16 H16 N6 O6 -","- C64 H64 N24 O24 -","4","1","","Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.","New acentric materials constructed from aminopyridines and 4-nitrophenol","CrystEngComm","2013","15","23","4700","","10.1039/c3ce40291f","","","0.71073","MoKα","","0.0362","0.0331","","","0.085","0.0891","","","","","","1.075","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210163","16.2454","0.0005","16.2454","0.0005","26.0964","0.0009","90","","90","","90","","6887.2","0.4","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C148 H108 Dy8 N12 O44 Si -","- C148 H108 Dy8 N12 O44 Si -","- C296 H216 Dy16 N24 O88 Si2 -","2","0.25","","She, Shi-Xiong; Zaworotko, Michael J.; Liu, Wei; Zhang, Zhu-Xiu; Li, Yahong","A unique μ8-silicate-bridged octametallic [Dy8SiO4] complex exhibiting slow magnetic relaxation","CrystEngComm","2013","15","25","5003","","10.1039/c3ce40295a","","","1.54178","CuKα","","0.0646","0.0457","","","0.1002","0.1098","","","","","","1.072","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210164","20.44","0.005","8.974","0.003","18.728","0.005","90","","95.099","0.005","90","","3421.7","1.7","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N2 O6 S Zn -","- C17 H15 N2 O6 S Zn -","- C136 H120 N16 O48 S8 Zn8 -","8","1","","Liu, Qing-Yan; Xiahou, Zuo-Juan; Wang, Yu-Ling; Li, Li-Qin; Chen, Li-Li; Fu, Yang","3D metal‒organic frameworks constructed of 2D metal aromatic sulfonate‒carboxylate layers and 1,3-di(4-pyridyl)propane pillars: syntheses, structural topologies, and luminescent properties","CrystEngComm","2013","15","24","4930","","10.1039/c3ce40315g","","","0.71073","MoKα","","0.0941","0.0688","","","0.1898","0.2076","","","","","","1.001","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210165","24.3069","0.0017","9.3535","0.0006","25.2396","0.0018","90","","101.62","0.001","90","","5620.7","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H45 Cd4 N6 O18 S2 -","- C57 H45 Cd4 N6 O18 S2 -","- C228 H180 Cd16 N24 O72 S8 -","4","0.5","","Liu, Qing-Yan; Xiahou, Zuo-Juan; Wang, Yu-Ling; Li, Li-Qin; Chen, Li-Li; Fu, Yang","3D metal‒organic frameworks constructed of 2D metal aromatic sulfonate‒carboxylate layers and 1,3-di(4-pyridyl)propane pillars: syntheses, structural topologies, and luminescent properties","CrystEngComm","2013","15","24","4930","","10.1039/c3ce40315g","","","0.71073","MoKα","","0.0611","0.0379","","","0.0774","0.0874","","","","","","1.021","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210166","9.4493","0.0007","8.7865","0.0005","21.4735","0.0013","90","","113.836","0.005","90","","1630.8","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H36 B14 N6 O26 -","- C8 H36 B14 N6 O26 -","- C16 H72 B28 N12 O52 -","2","0.5","","Wu, Lian-Zhi; Cheng, Lin; Shen, Jin-Ni; Yang, Guo-Yu","From discrete borate cluster to three-dimensional open framework","CrystEngComm","2013","15","22","4483","","10.1039/c3ce40327k","","","0.71073","MoKα","","0.1052","0.0896","","","0.2532","0.2735","","","","","","1.071","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210167","10.066","0.003","10.325","0.003","14.786","0.005","90","","91.456","0.005","90","","1536.2","0.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H38 Al2 B10 N6 O24 -","- C8 H38 Al2 B10 N6 O24 -","- C16 H76 Al4 B20 N12 O48 -","2","1","","Wu, Lian-Zhi; Cheng, Lin; Shen, Jin-Ni; Yang, Guo-Yu","From discrete borate cluster to three-dimensional open framework","CrystEngComm","2013","15","22","4483","","10.1039/c3ce40327k","","","0.71073","MoKα","","0.0592","0.0509","","","0.1305","0.1603","","","","","","1.05","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210168","12.548","0.002","5.2674","0.0009","27.842","0.005","90","","92.573","0.003","90","","1838.4","0.5","292","2","292","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Atovaquone","trans-2-(4-(4-chlorophenyl) cyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C22 H19 Cl O3 -","- C22 H19 Cl O3 -","- C88 H76 Cl4 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1781","0.0796","","","0.1182","0.1427","","","","","","1.048","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210169","5.9369","0.0007","18.358","0.002","16.6699","0.0018","90","","97.334","0.002","90","","1802","0.3","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","Atovaquone","trans-2-(4-(4-chlorophenyl) cyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C22 H19 Cl O3 -","- C22 H19 Cl O3 -","- C88 H76 Cl4 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1274","0.055","","","0.0818","0.0989","","","","","","0.952","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210170","13.2516","0.001","10.9285","0.0009","12.6302","0.001","90","","95.45","0.001","90","","1820.8","0.2","292","2","292","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","cis-Atovaquone","cis -2-(4-(4-chlorophenyl)cyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C22 H19 Cl O3 -","- C22 H19 Cl O3 -","- C88 H76 Cl4 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.0513","0.0386","","","0.0994","0.1101","","","","","","1.036","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210171","5.9504","0.0007","12.4798","0.0015","12.9769","0.0016","107.582","0.002","100.95","0.002","103.635","0.002","856.55","0.18","292","2","292","2","","","","","","","see text","3","P -1","-P 1","2","","trans- 2-(4-tert-butylcyclohexyl)-3-hydroxynaphthalene-1,4-dione","","- C20 H15 O3 -","- C20 H15 O3 -","- C40 H30 O6 -","2","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1535","0.093","","","0.2532","0.2959","","","","","","0.959","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210172","14.401","0.003","5.3279","0.0009","17.393","0.003","90","","98.926","0.003","90","","1318.4","0.4","292","2","292","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","2-cyclohexyl-3-hydroxynaphthalene-1,4-dione","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.081","0.0489","","","0.1205","0.1395","","","","","","0.974","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210173","10.3671","0.0011","7.0515","0.0007","25.102","0.002","90","","99.777","0.002","90","","1808.4","0.3","292","2","292","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","trans -2-(4-(4-chlorophenyl)cyclohexyl)-3-chloronaphthalene-1,4-dione","","- C22 H18 Cl2 O2 -","- C22 H18 Cl2 O2 -","- C88 H72 Cl8 O8 -","4","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1457","0.0635","","","0.0893","0.1129","","","","","","1.034","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210174","5.977","0.0018","12.226","0.004","13.103","0.004","103.814","0.005","90.038","0.004","95.271","0.006","925.6","0.5","292","2","292","2","","","","","","","see text","4","P -1","-P 1","2","","cis-2-(4-(4-chlorophenyl) cyclohexyl) -3-chloronaphthalene-1,4-dione","","- C22 H18 Cl2 O2 -","- C22 H18 Cl2 O2 -","- C44 H36 Cl4 O4 -","2","1","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.0859","0.0537","","","0.1361","0.1556","","","","","","1.027","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210175","11.7512","0.0016","12.7998","0.0018","13.985","0.002","75.766","0.003","67.022","0.002","83.02","0.003","1876.4","0.5","292","2","292","2","","","","","","","see text","5","P -1","-P 1","2","","cis-2-(4-(4-chlorophenyl)cyclohexyl)-3-nitronaphthalene-1,4-dione","","- C22 H18 Cl N O4 -","- C22 H18 Cl N O4 -","- C88 H72 Cl4 N4 O16 -","4","2","","Nayak, Susanta K.; Mallik, Srijita Basu; Kanaujia, Shankar Prasad; Sekar, Kanagaraj; Ranganathan, K. R.; Ananthalakshmi, V.; Jeyaraman, G.; Saralaya, S. S.; Rao, K. Sundararaja; Shridhara, K.; Nagarajan, K.; Row, Tayur N. Guru","Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design","CrystEngComm","2013","15","24","4871","","10.1039/c3ce40336j","","x-ray","0.71073","MoKα","","0.1346","0.0517","","","0.0892","0.1176","","","","","","0.945","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210176","10.6761","0.0016","10.7356","0.0016","11.9637","0.0018","69.991","0.002","77.562","0.002","60.8412","0.001","1123.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu Dy N5 O12 -","- C16 H16 Cu Dy N5 O12 -","- C32 H32 Cu2 Dy2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.162","0.13","","","0.2726","0.2977","","","","","","1.261","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210177","10.7491","0.0016","10.7585","0.0016","11.8901","0.0018","70.146","0.002","78.016","0.002","61.03","0.001","1129.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H Cu Eu N5 O12 -","- C16 H16 Cu Eu N5 O12 -","- C32 H32 Cu2 Eu2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0318","0.0284","","","0.0751","0.078","","","","","","1.09","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210178","10.725","0.004","10.747","0.004","11.917","0.004","70.146","0.004","77.912","0.005","60.967","0.004","1127.9","0.7","293","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu Gd N5 O12 -","- C16 H16 Cu Gd N5 O12 -","- C32 H32 Cu2 Gd2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0737","0.0575","","","0.1368","0.1488","","","","","","1.017","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210179","10.639","0.0016","10.6982","0.0016","11.9375","0.0018","70.078","0.002","77.61","0.002","60.7997","0.001","1113.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H Cu Ho N5 O12 -","- C16 H16 Cu Ho N5 O12 -","- C32 H32 Cu2 Ho2 N10 O24 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0485","0.0434","","","0.1083","0.1125","","","","","","1.031","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210180","10.672","0.0016","10.7194","0.0016","11.9351","0.0018","70.341","0.002","77.928","0.002","60.8544","0.001","1121.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cu N5 O12 Tb -","- C16 H16 Cu N5 O12 Tb -","- C32 H32 Cu2 N10 O24 Tb2 -","2","1","","Chen, ChuJun; Wang, Ning; Long, Yi; Gao, JinYing; Xie, WeiPing; Ran, XingRui; Yue, ShanTang","Series of novel 3D microporous heterometallic 3d‒4f coordination frameworks with (5,6)-connected topology: synthesis, crystal structure and magnetic properties","CrystEngComm","2013","15","23","4611","","10.1039/c3ce40346g","","","0.71073","MoKα","","0.0453","0.0395","","","0.0958","0.1013","","","","","","1.064","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210181","11.17","0.003","12.706","0.003","18.955","0.005","84.055","0.004","86.911","0.004","72.887","0.004","2556.5","1.1","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H48 Ag8 N24 O83 P2 W24 -","- C28 H40 Ag8 N24 O86 P2 W24 -","- C28 H40 Ag8 N24 O86 P2 W24 -","1","0.5","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71073","MoKα","","0.1393","0.11","","","0.2447","0.2538","","","","","","1.161","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210182","10.611","0.005","20.693","0.005","14.874","0.005","90","","129.67","0.02","90","","2513.9","1.7","187","2","187","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Ag4 N12 O40 P W12 -","- C16 H24 Ag4 N12 O40 P W12 -","- C32 H48 Ag8 N24 O80 P2 W24 -","2","0.5","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71069","MoKα","","0.0745","0.051","","","0.1038","0.1134","","","","","","1.03","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210183","20.252","0.002","13.5088","0.0014","38.953","0.004","90","","105.07","","90","","10290.3","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H27 N6 O46 P W12 -","- C8 H12 N6 O40 P W12 -","- C64 H96 N48 O320 P8 W96 -","8","1","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71073","MoKα","","0.0658","0.0398","","","0.0711","0.0731","","","","","","1.008","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210184","13.3672","0.0011","24.45","0.002","12.1885","0.0011","90","","98.47","0.002","90","","3940.1","0.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Ag5 N24 O40 P W12 -","- C40 H64 Ag5 N24 O40 P W12 -","- C80 H128 Ag10 N48 O80 P2 W24 -","2","0.5","","Wang, Xiuli; Zhao, Dan; Tian, Aixiang; Ying, Jun","A series of 3D PW12O403−-based AgI‒bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties","CrystEngComm","2013","15","22","4516","","10.1039/c3ce40375k","","","0.71073","MoKα","","0.0769","0.0641","","","0.1416","0.1465","","","","","","1.105","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210185","6.5711","0.0002","7.2502","0.0002","19.0229","0.0005","90","","99.665","0.001","90","","893.42","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H10 I2 S6 -","- C11 H10 I2 S6 -","- C22 H20 I4 S12 -","2","1","","Lieffrig, Julien; Pennec, Ronan Le; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule","CrystEngComm","2013","15","22","4408","","10.1039/c3ce40393a","","","0.71073","MoKα","","0.0373","0.026","","","0.0495","0.053","","","","","","1.048","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210186","9.6986","0.0004","26.2429","0.0008","14.5803","0.0006","90","","90","","90","","3711","0.2","293","2","293","2","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C22 H20 Cl I4 S12 -","- C22 H20 Cl I4 S12 -","- C88 H80 Cl4 I16 S48 -","4","0.5","","Lieffrig, Julien; Pennec, Ronan Le; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule","CrystEngComm","2013","15","22","4408","","10.1039/c3ce40393a","","","0.71073","MoKα","","0.0831","0.0453","","","0.0717","0.0823","","","","","","1.043","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210187","9.6691","0.0004","26.5929","0.0006","14.676","0.0005","90","","90","","90","","3773.6","0.2","293","2","293","2","","","","","","","","5","C 2 2 2","C 2 2","21","","","","- C22 H20 Br I4 S12 -","- C22 H20 Br I4 S12 -","- C88 H80 Br4 I16 S48 -","4","0.5","","Lieffrig, Julien; Pennec, Ronan Le; Jeannin, Olivier; Auban-Senzier, Pascale; Fourmigué, Marc","Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule","CrystEngComm","2013","15","22","4408","","10.1039/c3ce40393a","","","0.71073","MoKα","","0.0558","0.0294","","","0.0535","0.0614","","","","","","1.067","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210188","7.213","0.003","7.213","0.003","13.987","0.01","90","","90","","90","","727.7","0.7","296","2","296","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- B O8 P2 Pb Rb -","- B O8 P2 Pb Rb -","- B4 O32 P8 Pb4 Rb4 -","4","0.25","","Wang, Ying; Pan, Shilie; Zhang, Min; Han, Shujuan; Su, Xin; Dong, Lingyun","Synthesis, crystal growth and characterization of a new noncentrosymmetric borophosphate: RbPbBP2O8","CrystEngComm","2013","15","24","4956","","10.1039/c3ce40394g","","","0.71073","MoKα","","0.0333","0.0299","","","0.0737","0.0762","","","","","","1.088","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210189","11.1835","0.0003","31.5719","0.0009","14.7373","0.0004","90","","91.632","0.001","90","","5201.4","0.2","78","2","78","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C42.75 H32 Ag F6 N12.63 O8.37 P5 -","- C42.75 H32 Ag F6 N12.629 O8.373 P5 -","- C171 H128 Ag4 F24 N50.516 O33.492 P20 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.043","0.0378","","","0.0862","0.0904","","","","","","1.113","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210190","24.99","0.005","14.43","0.003","15.59","0.003","90","","90.7","0.03","90","","5621.4","1.9","85","2","85","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Ag2 F12 N12 O8 P6 -","- C40 H32 Ag2 F12 N12 O8 P6 -","- C160 H128 Ag8 F48 N48 O32 P24 -","4","0.5","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1566","0.0721","","","0.1638","0.1988","","","","","","1.042","","","","has coordinates,has disorder","278046","2022-09-21","15:45:42",""
"7210191","8.8673","0.0013","14.964","0.002","20.803","0.004","103.983","0.006","96.807","0.006","103.934","0.006","2553.6","0.7","198","2","198","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H32 Ag2 F6 N12 O14 P4 S2 -","- C42 H32 Ag2 F6 N12 O14 P4 S2 -","- C84 H64 Ag4 F12 N24 O28 P8 S4 -","2","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1359","0.0784","","","0.1968","0.2259","","","","","","1.046","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210192","8.837","0.0018","12.822","0.003","13.162","0.003","110.32","0.03","91.58","0.03","92","0.03","1396.4","0.6","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H32 Ag2 F6 N12 O15 P4 S2 -","- C46 H32 Ag2 F6 N12 O15 P4 S2 -","- C46 H32 Ag2 F6 N12 O15 P4 S2 -","1","0.5","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.0302","0.0267","","","0.068","0.0697","","","","","","1.064","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210193","36.803","0.002","7.3345","0.0004","27.2815","0.0016","90","","90","","90","","7364.1","0.7","198","2","198","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C56 H60 Ag3 F18 N16 O8 P7 -","- C56 H60 Ag3 F18 N16 O8 P7 -","- C224 H240 Ag12 F72 N64 O32 P28 -","4","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1245","0.0676","","","0.14","0.1702","","","","","","1.012","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210194","14.9201","0.0012","17.413","0.0014","17.8452","0.0014","100.983","0.004","92.204","0.004","102.358","0.004","4430.7","0.6","198","2","198","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H51 Ag4 F12 N16 O22 P4 S4 -","- C60 H51 Ag4 F12 N16 O22 P4 S4 -","- C120 H102 Ag8 F24 N32 O44 P8 S8 -","2","1","","Ainscough, Eric W.; Brodie, Andrew M.; Davidson, Ross J.; Jameson, Geoffrey B.; Otter, Carl A.","Flexible pyridyloxy-substituted cyclotetraphosphazene platforms linked by silver(i)","CrystEngComm","2013","15","21","4379","","10.1039/c3ce40395e","","","0.71073","MoKα","","0.1003","0.0507","","","0.1304","0.15","","","","","","0.965","","","","has coordinates,has disorder","180432","2020-10-21","18:00:00",""
"7210195","27.618","0.003","27.618","0.003","27.618","0.003","90","","90","","90","","21066","4","296","2","296","2","","","","","","","","7","I a -3","-I 2b 2c 3","206","","","","- C12 H76 B18 Cu3 N9 O73.5 V12 -","- C12 H45 B18 Cu3 N9 O73.5 V12 -","- C96 H360 B144 Cu24 N72 O588 V96 -","8","0.166667","","Zhou, Jian; Liu, Xing; Chen, Rong; Xiao, Hong-Ping; Hu, Feilong; Zou, Huahong; Zhou, Yun; Liu, Chun; Zhu, Ligang","New 3-D polyoxovanadoborate architectures based on [V12B18O60]16− clusters","CrystEngComm","2013","15","25","5057","","10.1039/c3ce40428e","","","0.71073","MoKα","","0.0901","0.0559","","","0.1488","0.1888","","","","","","1.181","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210196","14.083","0.003","17.226","0.003","18.264","0.006","90","","128.755","0.019","90","","3455.2","1.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H62 B18 N6 Na6 O73 V12 -","- C8 H40 B18 N6 Na6 O73 V12 -","- C16 H80 B36 N12 Na12 O146 V24 -","2","0.5","","Zhou, Jian; Liu, Xing; Chen, Rong; Xiao, Hong-Ping; Hu, Feilong; Zou, Huahong; Zhou, Yun; Liu, Chun; Zhu, Ligang","New 3-D polyoxovanadoborate architectures based on [V12B18O60]16− clusters","CrystEngComm","2013","15","25","5057","","10.1039/c3ce40428e","","","0.71073","MoKα","","0.0349","0.0313","","","0.0922","0.0953","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210197","11.333","0.0007","15.2656","0.001","15.6223","0.001","98.946","0.003","101.634","0.003","90.142","0.003","2613.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Co4 N4 O37 -","- C44 H16 Co4 N4 O36.94 -","- C88 H32 Co8 N8 O73.88 -","2","1","","Li, Meng-Yuan; Sevov, Slavi C.","Mellitate-based coordination polymers with a recurring motif: controlling dimensionality with secondary ligands","CrystEngComm","2013","15","25","5107","","10.1039/c3ce40442k","","","0.71073","MoKα","","0.1082","0.0603","","","0.1469","0.1703","","","","","","1.018","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210198","32.197","0.004","15.2214","0.0016","11.3816","0.0012","90","","90","","90","","5577.9","1.1","120","2","120","2","","","","","","","","5","C m c a","-C 2ac 2","64","Co-bpy-mellitate","","","- C11 H11.5 Co N O9.27 -","- C11 H11 Co N O9.266 -","- C176 H176 Co16 N16 O148.256 -","16","","","Li, Meng-Yuan; Sevov, Slavi C.","Mellitate-based coordination polymers with a recurring motif: controlling dimensionality with secondary ligands","CrystEngComm","2013","15","25","5107","","10.1039/c3ce40442k","","","0.71073","MoKα","","0.0513","0.0353","","","0.0849","0.0927","","","","","","1.04","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210199","19.986","0.003","11.382","0.002","15.228","0.004","90","","92.43","0.03","90","","3461","1.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Co-tpt-mel","","","- C30 H27 Co2 N6 O18.65 -","- C30 H24 Co2 N6 O18.646 -","- C120 H96 Co8 N24 O74.584 -","4","1","","Li, Meng-Yuan; Sevov, Slavi C.","Mellitate-based coordination polymers with a recurring motif: controlling dimensionality with secondary ligands","CrystEngComm","2013","15","25","5107","","10.1039/c3ce40442k","","","0.71073","MoKα","","0.0806","0.0486","","","0.1023","0.1177","","","","","","1.114","","","","has coordinates","180432","2020-10-21","18:00:00",""
"7210200","12.8567","0.0003","8.9378","0.0002","16.0555","0.0004","90","","101.613","0.002","90","","1807.18","0.07","291","2","291.15","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C16 H14 Cd2 O12 -","- C16 H12 Cd2 O12 -","- C64 H48 Cd8 O48 -","4","1","","Lou, Xin-Hua; Xu, Chen; Li, Hong-Mei; Wang, Zhi-Qiang; Guo, Hui; Xue, Dong-Xu","Metal-directed topological diversity of three fluorescent metal‒organic frameworks based on a new tetracarboxylate strut","CrystEngComm","2013","15","23","4606","","10.1039/c3ce40443a","","","0.7107","MoKα","","0.0381","0.0301","","","0.0624","0.0661","","","","","","1.069","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210201","10.1447","0.0007","13.8559","0.0009","26.1423","0.0017","90","","90","","90","","3674.7","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H42 N4 O12 Pb2 -","- C32 H42 N4 O12 Pb2 -","- C128 H168 N16 O48 Pb8 -","4","1","","Lou, Xin-Hua; Xu, Chen; Li, Hong-Mei; Wang, Zhi-Qiang; Guo, Hui; Xue, Dong-Xu","Metal-directed topological diversity of three fluorescent metal‒organic frameworks based on a new tetracarboxylate strut","CrystEngComm","2013","15","23","4606","","10.1039/c3ce40443a","","","0.71073","MoKα","","0.0303","0.0271","","","0.0666","0.068","","","","","","1.046","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210202","12.213","0.005","14.723","0.006","8.994","0.004","90","","108.105","0.004","90","","1537.2","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H6 O8 Zn2 -","- C16 H6 O8 Zn2 -","- C64 H24 O32 Zn8 -","4","0.5","","Lou, Xin-Hua; Xu, Chen; Li, Hong-Mei; Wang, Zhi-Qiang; Guo, Hui; Xue, Dong-Xu","Metal-directed topological diversity of three fluorescent metal‒organic frameworks based on a new tetracarboxylate strut","CrystEngComm","2013","15","23","4606","","10.1039/c3ce40443a","","","0.71073","MoKα","","0.0278","0.0222","","","0.0496","0.0518","","","","","","1.052","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210203","4.0678","0.0001","16.2705","0.0006","14.8387","0.0005","90","","96.127","0.002","90","","976.49","0.05","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis-(2-amino-5-iodopyridinium) diaquatrichlorocuprate chloride","","- C10 H16 Cl4 Cu I2 N4 O2 -","- C10 H16 Cl4 Cu I2 N4 O2 -","- C20 H32 Cl8 Cu2 I4 N8 O4 -","2","0.5","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0221","0.0189","","","0.0423","0.0435","","","","","","1.055","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210204","4.1214","0.0005","16.791","0.002","13.5186","0.0013","90","","92.598","0.01","90","","934.56","0.18","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(3-iodopyridinium) diaquatrichlorocuprate chloride","","- C10 H14 Cl4 Cu I2 N2 O2 -","- C10 H14 Cl4 Cu I2 N2 O2 -","- C20 H28 Cl8 Cu2 I4 N4 O4 -","2","0.5","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0707","0.0458","","","0.0579","0.0636","","","","","","1.019","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210205","8.1232","0.0003","8.9577","0.0004","13.9151","0.0007","79.998","0.002","78.419","0.001","85.351","0.002","975.73","0.08","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Bis(5-amino-2-iodopyridinium) diaquotrichlorocuprate chloride","","- C10 H16 Cl4 Cu I2 N4 O2 -","- C10 H15.2604 Cl4 Cu I2 N4 O2 -","- C20 H30.5208 Cl8 Cu2 I4 N8 O4 -","2","1","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0298","0.0234","","","0.0488","0.0511","","","","","","1.088","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210206","7.948","0.002","16.162","0.005","14.896","0.004","90","","95.18","0.004","90","","1905.7","0.9","163","2","163","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(2-amino-5-bromopyridinium) diaquatrichlorocuprate chloride","","- C10 H16 Br2 Cl4 Cu N4 O2 -","- C10 H15.8368 Br2 Cl4 Cu N4 O2 -","- C40 H63.3472 Br8 Cl16 Cu4 N16 O8 -","4","1","","Abdalrahman, Mahmoud A.; Awwadi, Firas F.; Jameson, Geoffrey B.; Landee, Christopher P.; Saunders, Christopher G.; Turnbull, Mark M.; Wikaira, Jan L.","Effects of halogen and hydrogen bonding on defect disorder: the ladder that wasn't there","CrystEngComm","2013","15","21","4309","","10.1039/c3ce40444g","","","0.71073","MoKα","","0.0363","0.0225","","","0.0492","0.0521","","","","","","0.942","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210207","11.2132","0.0008","15.3143","0.0011","19.9458","0.0015","90","","92.798","0.001","90","","3421.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Au2 Br4 O4 P2 S4 -","- C22 H28 Au2 Br4 O4 P2 S4 -","- C88 H112 Au8 Br16 O16 P8 S16 -","4","1","","Pillay, Michael N.; Omondi, Bernard; Staples, Richard J.; van Zyl, Werner E.","A hexanuclear gold(i) metallatriangle derived from a chiral dithiophosphate: synthesis, structure, luminescence and oxidative bromination reactivity","CrystEngComm","2013","15","22","4417","","10.1039/c3ce40496j","","x-ray","0.71073","MoKα","","0.0469","0.0299","","","0.0617","0.0673","","","","","","1.019","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210208","26.7928","0.0018","26.7928","0.0018","54.09","0.004","90","","90","","90","","38829","5","173","2","173","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C67 H86 Au6 Cl2 O12 P6 S12 -","- C67 H86 Au6 Cl2 O12 P6 S12 -","- C1072 H1376 Au96 Cl32 O192 P96 S192 -","16","1","","Pillay, Michael N.; Omondi, Bernard; Staples, Richard J.; van Zyl, Werner E.","A hexanuclear gold(i) metallatriangle derived from a chiral dithiophosphate: synthesis, structure, luminescence and oxidative bromination reactivity","CrystEngComm","2013","15","22","4417","","10.1039/c3ce40496j","","","0.71073","MoKα","","0.059","0.0357","","","0.0911","0.1045","","","","","","1.061","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210209","12.85","0.002","14.293","0.003","18.304","0.003","77.112","0.003","85.209","0.003","69.054","0.003","3060.5","0.9","100","2","100","2","","","","","","","see text","7","P -1","-P 1","2","","","","- C50 H32 Ag3 F18 N13 O12 S6 -","- C50 H32 Ag3 F18 N13 O12 S6 -","- C100 H64 Ag6 F36 N26 O24 S12 -","2","1","","Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.","Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.","CrystEngComm / RSC","2013","2013","21","4221","4224","10.1039/C3CE40500A","","","0.71073","MoKa","","0.09","0.0498","","","0.0848","0.0924","","","","","","0.801","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210210","13.259","0.002","23.277","0.004","16.617","0.003","90","","110.187","0.003","90","","4813.5","1.4","100","2","100","2","","","","","","","see text","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 Ag2 Cl2 F12 N10 O8 S4 -","- C39 H28 Ag2 Cl2 F12 N10 O8 S4 -","- C156 H112 Ag8 Cl8 F48 N40 O32 S16 -","4","1","","Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.","Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.","CrystEngComm / RSC","2013","2013","21","4221","4224","10.1039/C3CE40500A","","","0.71073","MoKa","","0.0747","0.0484","","","0.0922","0.0982","","","","","","0.957","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210211","18.812","0.0019","22.261","0.002","20.92","0.002","90","","110.691","0.002","90","","8195.7","1.4","100","2","100","2","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H42 Ag4 F24 N18 O16 S8 -","- C64 H42 Ag4 F24 N18 O16 S8 -","- C256 H168 Ag16 F96 N72 O64 S32 -","4","1","","Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.","Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.","CrystEngComm / RSC","2013","2013","21","4221","4224","10.1039/C3CE40500A","","","0.71073","MoKa","","0.0754","0.0463","","","0.0866","0.1002","","","","","","0.901","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210212","20.635","0.007","22.481","0.007","13.652","0.005","90","","124.337","0.009","90","","5229","3","100","2","100","2","","","","","","","see text","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 Ag F6 N6 O4 S2 -","- C23 H14 Ag F6 N6 O4 S2 -","- C184 H112 Ag8 F48 N48 O32 S16 -","8","1","","Türkmen, Yunus E.; Sen, Saikat; Rawal, Viresh H.","Stacks and clips: Uncanny similarities in the modes of self-assembly in tenary Ag(I) complexes with 1,2-diazines and chelating heteroarenes.","CrystEngComm / RSC","2013","2013","21","4221","4224","10.1039/C3CE40500A","","","0.71073","MoKa","","0.1071","0.084","","","0.2025","0.2169","","","","","","1.055","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210213","31.5","0.007","12.412","0.003","7.016","0.002","90","","90","","90","","2743.1","1.2","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,4-Diamino-6-phenyl-1,3,5-triazine+1,3-Phenylenediacetic acid","","- C28 H28 N10 O4 -","- C28 H28 N10 O4 -","- C112 H112 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.0721","0.0642","","","0.1617","0.1686","","","","","","1.106","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210214","12.405","0.004","6.948","0.002","31.402","0.011","90","","90","","90","","2706.5","1.5","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2,4-Diamino-6-phenyl-1,3,5-triazine+1,4-Phenylenediacetic acid","","- C28 H28 N10 O4 -","- C28 H28 N10 O4 -","- C112 H112 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.075","0.0685","","","0.1856","0.1904","","","","","","1.292","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210215","8.504","0.006","10.199","0.007","10.258","0.007","108.53","0.01","91.79","0.01","92.96","0.01","841.4","1","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2,4-Diamino-6-phenyl-1,3,5-triazine+Isophthalic Acid","","- C17 H15 N5 O4 -","- C17 H15 N5 O4 -","- C34 H30 N10 O8 -","2","1","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.1127","0.0594","","","0.1387","0.1886","","","","","","0.973","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210216","7.162","0.002","10.042","0.002","12.835","0.003","68.27","0.01","85.45","0.01","71.46","0.01","812.2","0.3","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2,4-Diamino-6-phenyl-1,3,5-triazine+Phthalic Acid","","- C17 H15 N5 O4 -","- C17 H15 N5 O4 -","- C34 H30 N10 O8 -","2","1","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.1222","0.0639","","","0.1624","0.2119","","","","","","1.012","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210217","9.821","0.003","7.135","0.002","12.126","0.002","90","","116.6","0.02","90","","759.8","0.4","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","2,4-Diamino-6-phenyl-1,3,5-triazine+benzoic acid","","- C16 H15 N5 O2 -","- C16 H15 N5 O2 -","- C32 H30 N10 O4 -","2","1","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.0931","0.0869","","","0.2169","0.2213","","","","","","1.576","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210218","29.943","0.001","7.007","0.002","12.152","0.004","90","","107.78","0.01","90","","2427.8","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,4-Diamino-6-phenyl-1,3,5-triazine+terephthalic acid","","- C26 H24 N10 O4 -","- C26 H24 N10 O4 -","- C104 H96 N40 O16 -","4","0.5","","Delori, Amit; Suresh, Eringathodi; Pedireddi, V. R.","Influence of molecular shape on the design and synthesis of supramolecular assemblies","CrystEngComm","2013","15","24","4811","","10.1039/c3ce40501j","","","0.71073","MoKα","","0.1085","0.0871","","","0.2998","0.3098","","","","","","2.037","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210219","13.777","0.004","12.017","0.003","18.451","0.005","90","","101.02","0.004","90","","2998.4","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd2 N4 O16 -","- C26 H28 Cd2 N4 O16 -","- C104 H112 Cd8 N16 O64 -","4","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.0226","0.021","","","0.0825","0.0836","","","","","","1.219","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210220","11.949","0.002","16.406","0.003","12.63","0.002","90","","117.449","0.002","90","","2197.2","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N4 O6 Zn -","- C25 H18 N4 O6 Zn -","- C100 H72 N16 O24 Zn4 -","4","1","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.0406","0.0345","","","0.0897","0.0932","","","","","","1.047","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210221","16.82","0.005","16.82","0.005","18.022","0.006","90","","90","","90","","5099","3","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H22 N4 O12 Sr -","- C26 H22 N4 O12 Sr -","- C208 H176 N32 O96 Sr8 -","8","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.1443","0.0763","","","0.159","0.1995","","","","","","1.106","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210222","25.1437","0.0013","25.1437","0.0013","14.5663","0.0015","90","","90","","120","","7975.1","1","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H30 Mn3 N4 O18 -","- C24 H30 Mn3 N4 O18 -","- C216 H270 Mn27 N36 O162 -","9","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.1137","0.0808","","","0.2299","0.2531","","","","","","1.1","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210223","13.9799","0.0008","14.9811","0.0005","14.9811","0.0005","110.785","0.001","108.123","0.002","108.123","0.001","2454.3","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H0 N12 O60 Zn9 -","- C72 H90 N12 O60 Zn9 -","- C72 H90 N12 O60 Zn9 -","1","0.5","","Xiong, Zhifang; Shi, Bingbing; Li, Li; Zhu, Yanyan; Li, Gang","Construction of transition-metal coordination polymers using multifunctional imidazole dicarboxylates as spacers","CrystEngComm","2013","15","24","4885","","10.1039/c3ce40511g","","","0.71073","MoKα","","0.214","0.1162","","","0.3007","0.3458","","","","","","1.068","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210224","12.24","0.002","13.285","0.003","33.139","0.007","98.09","0.03","91.58","0.03","106.32","0.03","5107","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H92 Ba2 N11 O57 V15 -","- C55 H91.6 Ba2 N11 O57 V15 -","- C110 H183.2 Ba4 N22 O114 V30 -","2","1","","Kastner, Katharina; Streb, Carsten","Solvent-shielding allows the self-assembly of supramolecular 1D barium vanadate chains","CrystEngComm","2013","15","24","4948","","10.1039/c3ce40536b","","x-ray","0.71073","MoKα","","0.0938","0.057","","","0.1281","0.1411","","","","","","1.054","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210225","11.34","0.002","11.638","0.002","12.492","0.003","104.74","0.03","103.04","0.03","107.93","0.03","1431.8","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H54 Ba2 N8 O36 V10 -","- C24 H54 Ba2 N8 O36 V10 -","- C24 H54 Ba2 N8 O36 V10 -","1","0.5","","Kastner, Katharina; Streb, Carsten","Solvent-shielding allows the self-assembly of supramolecular 1D barium vanadate chains","CrystEngComm","2013","15","24","4948","","10.1039/c3ce40536b","","x-ray","0.71073","MoKα","","0.077","0.0503","","","0.1138","0.1261","","","","","","1.03","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210226","16.9317","0.0008","16.9317","0.0008","22.0782","0.0019","90","","90","","120","","5481.4","0.6","291","2","291","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C72 H76 Cl3 Cu7 N24 O8 S8 W2 -","- C72 H75.96 Cl3 Cu7 N24 O8 S8 W2 -","- C144 H151.92 Cl6 Cu14 N48 O16 S16 W4 -","2","0.166667","","Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand","CrystEngComm","2013","15","25","5016","","10.1039/c3ce40542g","","","0.71073","MoKα","","0.073","0.048","","","0.0907","0.0953","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7210227","16.817","0.002","16.817","0.002","22.226","0.006","90","","90","","120","","5443.6","1.7","291","2","291","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C72 H76 Cl3 Cu7 Mo2 N24 O8 S8 -","- C72 H75.9996 Cl3 Cu7 Mo2 N24 O8 S8 -","- C144 H151.999 Cl6 Cu14 Mo4 N48 O16 S16 -","2","0.166667","","Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand","CrystEngComm","2013","15","25","5016","","10.1039/c3ce40542g","","","0.71073","MoKα","","0.0653","0.0514","","","0.1257","0.132","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210228","17.0636","0.0014","17.0636","0.0014","22.372","0.003","90","","90","","120","","5641.3","1","291","2","291","2","","","","","","","","8","P 63/m","-P 6c","176","","","","- C72 H74 Br3 Cu7 N24 O7 S8 W2 -","- C72 H74.0004 Br3 Cu7 N24 O7 S8 W2 -","- C144 H148.001 Br6 Cu14 N48 O14 S16 W4 -","2","0.166667","","Qin, Ling; Pan, Zhaorui; Qian, Liwu; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Anion-selectivity of cationic cluster‒organic nanospheres based on a nest-shaped [MS4Cu3X3] clustermonomer with a ditopic ligand","CrystEngComm","2013","15","25","5016","","10.1039/c3ce40542g","","","0.71073","MoKα","","0.0837","0.0542","","","0.1097","0.1186","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210229","8.3985","0.0017","9.819","0.002","10.245","0.002","70.94","0.03","81.82","0.03","72.29","0.03","759.8","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H9 F4 O2 -","- C21 H9 F4 O2 -","- C42 H18 F8 O4 -","2","1","","Chen, Hao; Gao, Fan; Yao, Erdong; Chen, Qi; Ma, Yuguo","Rapid mechanochemical preparation of a sandwich-like charge transfer complex","CrystEngComm","2013","15","22","4413","","10.1039/c3ce40585k","","","0.71073","MoKα","","0.0824","0.0677","","","0.1663","0.1797","","","","","","1.12","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210230","4.3337","0.0002","4.3337","0.0002","40.9103","0.0019","90","","90","","120","","665.4","0.05","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Bi2 Mn Te4 -","- Bi2 Mn Te4 -","- Bi6 Mn3 Te12 -","3","0.0833333","","Lee, Dong Sun; Kim, Tae-Hoon; Park, Cheol-Hee; Chung, Chan-Yeup; Lim, Young Soo; Seo, Won-Seon; Park, Hyung-Ho","Crystal structure, properties and nanostructuring of a new layered chalcogenide semiconductor, Bi2MnTe4","CrystEngComm","2013","15","27","5532","","10.1039/c3ce40643a","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210232","13.4164","0.0008","15.4139","0.0009","15.0463","0.0009","90","","112.966","0.001","90","","2864.9","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Diaqua-(mu-5-methoxy-isophtalato-O,O'')-bis- (N,N,N',N'-tetramethylethylen","","","- C21 H39 Cl Cu2 N4 O10 -","- C21 H39 Cl Cu2 N4 O10 -","- C84 H156 Cl4 Cu8 N16 O40 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0633","0.038","","","0.0695","0.0743","","","","","","0.821","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210233","13.4464","0.0009","15.6975","0.0011","13.9301","0.001","90","","111.165","0.002","90","","2742","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Diaqua-(mu-isophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendiamine)-d","","","- C20 H36 Cl Cu2 N4 O9 -","- C20 H36 Cl Cu2 N4 O9 -","- C80 H144 Cl4 Cu8 N16 O36 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.1536","0.1102","","","0.1944","0.2111","","","","","","1.264","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210234","13.4288","0.0007","15.5866","0.0008","14.6967","0.0008","90","","111.897","0.001","90","","2854.2","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Diaqua-(mu-5-nitroisophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendia","","","- C20 H36 Cl Cu2 N5 O11 -","- C20 H36 Cl Cu2 N5 O11 -","- C80 H144 Cl4 Cu8 N20 O44 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0627","0.0391","","","0.0777","0.0818","","","","","","0.854","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210235","27.4967","0.0015","15.6562","0.0009","15.3494","0.0009","90","","120.473","0.001","90","","5695.1","0.6","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","catena-(Diaqua-(mu-5-aminoisophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendia","","","- C20 H38 Cl Cu2 N5 O9 -","- C20 H38 Cl Cu2 N5 O9 -","- C160 H304 Cl8 Cu16 N40 O72 -","8","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0666","0.0416","","","0.0923","0.0973","","","","","","0.904","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210236","6.8445","0.0003","15.0636","0.0008","16.1247","0.0008","90","","98.489","0.001","90","","1644.29","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-(Aqua-(mu-isophtalato-O,O'')-N,N,N',N'- tetramethylethylen diamine)-copper(ii))","catena-[Aqua-(μ-isophtalato-O,O"")-N,N,N',N'-tetramethylethylen diamine)-copper(ii)]","","- C14 H22 Cu N2 O5 -","- C14 H22 Cu N2 O5 -","- C56 H88 Cu4 N8 O20 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0399","0.0348","","","0.0974","0.1002","","","","","","0.993","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210237","13.3966","0.0008","11.9465","0.0007","24.1319","0.0014","90","","100.382","0.001","90","","3798.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","catena-(Aqua-(mu-Tetrafluoroisophtalato-O,O'')-(N,N,N',N'- tetramethylethylendiami","","","- C28 H40 Cu2 F8 N4 O12 -","- C28 H40 Cu2 F8 N4 O12 -","- C112 H160 Cu8 F32 N16 O48 -","4","1","","Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús","Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization","CrystEngComm","2013","15","30","5961","","10.1039/c3ce00044c","","","0.71073","MoKα","","0.0485","0.0351","","","0.0795","0.083","","","","","","0.906","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210238","10.232","0.003","14.433","0.004","22.709","0.006","90","","90","","90","","3353.6","1.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","[Zn(3-tzbd)2.H2O]n","","","- C3.05 H2.29 N1.52 O0.57 Zn0.19 -","- C3.04762 H2.28571 N1.52381 O0.571429 Zn0.190476 -","- C128 H96 N64 O24 Zn8 -","42","5.25","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0584","0.057","","","0.1837","0.1854","","","","","","1.074","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210239","11.4833","0.0014","13.5101","0.0015","15.1777","0.0017","97.56","0.003","100.423","0.004","103.2","0.005","2217.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Zn2(3-tzbd)3(N3)(4,4'-bipy)2.H2O]n","","","- C88 H66 N38 O8 Zn4 -","- C88 H66 N38 O8 Zn4 -","- C88 H66 N38 O8 Zn4 -","1","0.5","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0598","0.0508","","","0.1247","0.1319","","","","","","1.055","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210240","14.6438","0.0015","25.7158","0.0016","7.1582","0.0006","90","","102.572","0.006","90","","2631","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Zn2(3-tzbd)2(OH)2(4,4'-bipy).H2O]n","","","- C104 H88 N40 O20 Zn8 -","- C104 H88 N40 O20 Zn8 -","- C104 H88 N40 O20 Zn8 -","1","0.125","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0636","0.0497","","","0.1404","0.155","","","","","","0.981","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210241","9.5171","0.0004","11.409","","12.9728","0.0001","69.741","0.01","77.556","0.012","80.174","0.012","1283.3","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Zn2(3-tzbd)4(phen)2","","","- C56 H36 N20 O4 Zn2 -","- C56 H36 N20 O4 Zn2 -","- C56 H36 N20 O4 Zn2 -","1","0.5","","Liu, Zhi-Fa; Wu, Mei-Feng; Zheng, Fa-Kun; Wang, Shuai-Hua; Zhang, Ming-Jian; Chen, Jun; Xiao, Yu; Guo, Guo-Cong; Wu, A-Qing","Zinc(ii) coordination compounds based on in situ generated 3-(5H-tetrazol)benzaldehyde with diverse modes: hydrothermal syntheses, crystal structures and photoluminescent properties","CrystEngComm","2013","15","35","7038","","10.1039/c3ce27111k","","","0.71073","MoKα","","0.0536","0.0468","","","0.1305","0.1406","","","","","","0.804","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210242","10.113","0.0012","13.323","0.0016","15.473","0.0018","90","","104.2","0.0013","90","","2021.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 Ni O5 -","- C21 H18 N4 Ni O5 -","- C84 H72 N16 Ni4 O20 -","4","1","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71069","MoKα","","0.0322","0.0268","","","0.0707","0.0736","","","","","","1.062","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210243","8.405","0.003","17.494","0.005","17.621","0.004","90","","100.421","0.008","90","","2548.2","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N8 Ni O7 -","- C25 H20 N8 Ni O7 -","- C100 H80 N32 Ni4 O28 -","4","1","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71069","MoKα","","0.0461","0.0345","","","0.0942","0.102","","","","","","1.03","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210244","17.3102","0.0007","10.8871","0.0004","30.2298","0.0012","90","","100.412","0.0005","90","","5603.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H27 N6 Ni O4 -","- C30 H27 N6 Ni O4 -","- C240 H216 N48 Ni8 O32 -","8","1","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71073","MoKα","","0.0444","0.0344","","","0.0918","0.096","","","","","","1.075","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210245","23.1936","0.001","15.0255","0.0007","16.4652","0.0013","90","","124.695","0.0004","90","","4717.8","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N10 Ni2 O15 -","- C44 H40 N10 Ni2 O15 -","- C176 H160 N40 Ni8 O60 -","4","0.5","","Guo, Feng; Zhu, Baoyong; Liu, Mingli; Zhang, Xiuling; Zhang, Jian; Zhao, Jiongpeng","Tuning structural topologies of four Ni(ii) coordination polymers through modifying the substitute group of organic ligand","CrystEngComm","2013","15","31","6191","","10.1039/c3ce40157j","","","0.71069","MoKα","","0.0445","0.0331","","","0.0808","0.0869","","","","","","1.004","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210246","18.9686","0.001","18.8743","0.0009","26.1162","0.0014","90","","107.436","0.001","90","","8920.5","0.8","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H92 In12 N12 Ni O3 S20 -","- C30 H60 In12 N10 Ni S20 -","- C120 H240 In48 N40 Ni4 S80 -","4","1","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71075","MoKα","","0.074","0.0563","","","0.1278","0.1387","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210247","32.042","0.004","9.8206","0.0008","24.305","0.002","90","","127.353","0.002","90","","6079.6","1","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H192 In8 N24 Ni4 O12 S16 -","- C72 In8 N24 Ni4 O12 S16 -","- C144 In16 N48 Ni8 O24 S32 -","2","0.25","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71075","MoKα","","0.0616","0.053","","","0.1344","0.1409","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210248","24.8713","0.0015","28.3131","0.0016","52.118","0.003","90","","90","","90","","36701","4","296","2","296","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C90 H222 Co8 In16 N30 O5 S37 -","- C72 H120 Co8 In16 N24 S37 -","- C576 H960 Co64 In128 N192 S296 -","8","0.25","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71073","MoKα","","0.1322","0.117","","","0.1907","0.1963","","","","","","1.167","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210249","22.9417","0.001","26.2387","0.001","27.3488","0.0011","90","","99.454","0.001","90","","16239.3","1.1","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C168 H408 Co17 In32 N56 O6 S68 -","- C132 Co17 In32 N52 O6 S68 -","- C264 Co34 In64 N104 O12 S136 -","2","0.5","","Wang, Yu-Hong; Jiang, Jian-Bing; Wang, Peng; Sun, Xiao-Lu; Zhu, Qin-Yu; Dai, Jie","Polymeric supertetrahedral InS clusters assembled by new linkages","CrystEngComm","2013","15","30","6040","","10.1039/c3ce40270c","","","0.71075","MoKα","","0.1141","0.0814","","","0.1798","0.202","","","","","","1.132","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210250","9.09","0.003","26.329","0.008","14.854","0.005","90","","95.493","0.004","90","","3539","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H20 Cd Cl4 N2 O5 -","- C35 H20 Cd Cl4 N2 O5 -","- C140 H80 Cd4 Cl16 N8 O20 -","4","1","","Yuan, Guozan; Rong, Lulu; Qiao, Xuelong; Ma, Li; Wei, Xianwen","Anion-controlled structures and luminescent properties of three Cd(ii) complexes assembled by a 2-substituted 8-hydroxyquinoline ligand","CrystEngComm","2013","15","36","7307","","10.1039/c3ce40348c","","","0.71073","MoKα","","0.0648","0.0448","","","0.1212","0.1341","","","","","","1.033","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210251","14.7666","0.001","24.2437","0.0017","14.97","0.001","90","","112.025","0.001","90","","4968.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H37 Cd2 Cl6 N3 O6 -","- C54 H37 Cd2 Cl6 N3 O6 -","- C216 H148 Cd8 Cl24 N12 O24 -","4","1","","Yuan, Guozan; Rong, Lulu; Qiao, Xuelong; Ma, Li; Wei, Xianwen","Anion-controlled structures and luminescent properties of three Cd(ii) complexes assembled by a 2-substituted 8-hydroxyquinoline ligand","CrystEngComm","2013","15","36","7307","","10.1039/c3ce40348c","","","0.71073","MoKα","","0.0916","0.0504","","","0.1256","0.1464","","","","","","1.049","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210252","15.88","0.002","24.478","0.003","26.637","0.004","90","","106.257","0.003","90","","9940","2","58","2","58","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H30 Cd2 Cl6 I N3 O3 -","- C52 H30 Cd2 Cl6 I N3 O4 -","- C416 H240 Cd16 Cl48 I8 N24 O32 -","8","1","","Yuan, Guozan; Rong, Lulu; Qiao, Xuelong; Ma, Li; Wei, Xianwen","Anion-controlled structures and luminescent properties of three Cd(ii) complexes assembled by a 2-substituted 8-hydroxyquinoline ligand","CrystEngComm","2013","15","36","7307","","10.1039/c3ce40348c","","","0.71073","MoKα","","0.1071","0.0538","","","0.1432","0.2035","","","","","","1.111","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210253","10.442","0.002","11.545","0.002","14.071","0.003","102.208","0.002","110.931","0.001","100.536","0.001","1485.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 O12 Pr -","- C33 H24 O12 Pr -","- C66 H48 O24 Pr2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0261","0.0234","","","0.0613","0.0758","","","","","","0.987","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210254","10.1324","0.0008","10.1905","0.0009","15.5442","0.001","96.333","0.002","97.155","0.003","114.009","0.003","1431.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 Er O11 -","- C33 H22 Er O11 -","- C66 H44 Er2 O22 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0662","0.0602","","","0.1755","0.1956","","","","","","1.109","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210255","10.1326","0.0005","10.1834","0.0004","15.5265","0.0008","96.308","0.004","97.128","0.004","113.89","0.004","1430.69","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 Ho O11 -","- C33 H22 Ho O11 -","- C66 H44 Ho2 O22 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0589","0.0452","","","0.0624","0.0687","","","","","","0.995","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210256","10.4475","0.0011","11.5142","0.0006","14.0367","0.0016","102.313","0.007","110.938","0.01","100.587","0.006","1476.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Nd O12 -","- C33 H24 Nd O12 -","- C66 H48 Nd2 O24 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0511","0.0414","","","0.0878","0.0931","","","","","","1.033","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210257","10.413","0.0011","11.4804","0.0018","14.1232","0.0019","102.54","0.006","111.188","0.001","100.429","0.003","1472.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 O12 Sm -","- C33 H24 O12 Sm -","- C66 H48 O24 Sm2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0393","0.0329","","","0.0873","0.1026","","","","","","1.082","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210258","10.3979","0.0006","11.4388","0.0006","14.1007","0.0008","102.635","0.005","111.321","0.005","100.381","0.005","1460.95","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Eu O12 -","- C33 H24 Eu O12 -","- C66 H48 Eu2 O24 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0467","0.036","","","0.0658","0.0702","","","","","","1.03","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210259","10.4002","0.0006","11.4239","0.0006","14.1035","0.0008","102.78","0.001","111.354","0.001","100.275","0.001","1458.8","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 Gd O12 -","- C33 H24 Gd O12 -","- C66 H48 Gd2 O24 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0308","0.028","","","0.0669","0.0687","","","","","","1.041","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210260","11.9617","0.0006","12.6849","0.0005","19.6998","0.001","90","","107.951","0.003","90","","2843.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 N2 O7 Tb -","- C34 H20 N2 O7 Tb -","- C136 H80 N8 O28 Tb4 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0445","0.0352","","","0.0902","0.1212","","","","","","1.074","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210261","11.9684","0.0006","12.6499","0.0004","19.6347","0.0017","90","","108","0.006","90","","2827.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H20 Dy N2 O7 -","- C34 H20 Dy N2 O7 -","- C136 H80 Dy4 N8 O28 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0498","0.0349","","","0.0706","0.0755","","","","","","1.038","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210262","12.0185","0.0004","12.6199","0.0005","19.586","0.0008","90","","108.006","0.003","90","","2825.16","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 Er N2 O7 -","- C34 H20 Er N2 O7 -","- C136 H80 Er4 N8 O28 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0494","0.0327","","","0.0476","0.0519","","","","","","0.9","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210263","12.0745","0.0018","12.584","0.002","19.537","0.002","90","","108","0.007","90","","2823.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H21 N2 O7 Yb -","- C34 H20 N2 O7 Yb -","- C136 H80 N8 O28 Yb4 -","4","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0618","0.0422","","","0.0748","0.0827","","","","","","1.076","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210264","10.3248","0.0019","11.3302","0.0018","14.087","0.003","102.938","0.014","111.17","0.017","100.561","0.014","1433.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H24 O12 Tb -","- C33 H24 O12 Tb -","- C66 H48 O24 Tb2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Chen, Xin; Zhang, Hong","Coordination polymers of lanthanide complexes with benzene dicarboxylato ligands","CrystEngComm","2013","15","32","6340","","10.1039/c3ce40357b","","","0.71073","MoKα","","0.0387","0.0331","","","0.0693","0.0752","","","","","","0.99","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7210265","8.1858","0.0008","10.6531","0.0012","20.967","0.002","90","","92.684","0.007","90","","1826.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C84 H96 N8 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.1232","0.0536","","","0.0896","0.1071","","","","","","1.049","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210266","21.5904","0.0013","13.638","0.0008","16.9958","0.0017","90","","123.947","0.003","90","","4151.4","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N2 O2 -","- C21 H24 N2 O2 -","- C168 H192 N16 O16 -","8","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.169","0.0818","","","0.1977","0.2355","","","","","","0.997","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210267","21.9667","0.0007","13.4559","0.0007","17.1405","0.0007","90","","124.165","0.004","90","","4192.1","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H27 N2 O2.5 -","- C22.5 H27 N2 O2.5 -","- C180 H216 N16 O20 -","8","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.0929","0.0689","","","0.1199","0.1273","","","","","","1.076","","","","has coordinates","212110","2020-10-21","18:00:00",""
"7210268","8.2791","0.0006","10.4599","0.0007","26.664","0.002","90","","96.212","0.007","90","","2295.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O4 S -","- C23 H32 N2 O4 S -","- C92 H128 N8 O16 S4 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphism and porosity in 4-[(4-hydroxy-3,5-dimethylphenyl)(5-methyl-1H-imidazol-4-yl)methyl]-2,6-dimethylphenol","CrystEngComm","2013","15","31","6249","","10.1039/c3ce40407b","","","0.71073","MoKα","","0.1084","0.0885","","","0.1671","0.1781","","","","","","1.007","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210269","8.927","0.002","9.233","0.002","12.683","0.003","94.158","0.004","96.911","0.004","104.064","0.005","1001","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H20 Ca Cu N2 O13 S -","- C11 H20 Ca Cu N2 O13 S -","- C22 H40 Ca2 Cu2 N4 O26 S2 -","2","1","","Zhang, Jinhong; Cheng, Shaomin; Wang, Xiangfei; Yuan, Limin; Xue, Mingqiang; Wang, Yang; Liu, Wenlong","Heterometallic coordination polymers based on dipeptide schiff base Cu(ii) metalloligand: synthesis, structures, and magnetic properties","CrystEngComm","2013","15","30","6074","","10.1039/c3ce40596f","","","0.71073","MoKα","","0.0542","0.0473","","","0.1233","0.1262","","","","","","1.006","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210270","8.1109","0.0011","11.7065","0.0018","16.46","0.003","90","","100.757","0.009","90","","1535.4","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cu N2 O9 S Sr -","- C11 H12 Cu N2 O9 S Sr -","- C44 H48 Cu4 N8 O36 S4 Sr4 -","4","1","","Zhang, Jinhong; Cheng, Shaomin; Wang, Xiangfei; Yuan, Limin; Xue, Mingqiang; Wang, Yang; Liu, Wenlong","Heterometallic coordination polymers based on dipeptide schiff base Cu(ii) metalloligand: synthesis, structures, and magnetic properties","CrystEngComm","2013","15","30","6074","","10.1039/c3ce40596f","","","0.71073","MoKα","","0.0962","0.0618","","","0.1125","0.117","","","","","","1.014","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210271","8.498","0.002","9.691","0.003","12.53","0.003","110.582","0.004","91.961","0.004","113.516","0.004","867.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 Ba Cu N2 O11 S -","- C11 H16 Ba Cu N2 O11 S -","- C22 H32 Ba2 Cu2 N4 O22 S2 -","2","1","","Zhang, Jinhong; Cheng, Shaomin; Wang, Xiangfei; Yuan, Limin; Xue, Mingqiang; Wang, Yang; Liu, Wenlong","Heterometallic coordination polymers based on dipeptide schiff base Cu(ii) metalloligand: synthesis, structures, and magnetic properties","CrystEngComm","2013","15","30","6074","","10.1039/c3ce40596f","","","0.71073","MoKα","","0.0386","0.0357","","","0.0925","0.0941","","","","","","1.048","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210272","18.871","0.013","18.123","0.013","14.501","0.01","90","","95.28","0.009","90","","4938","6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H13 Mn2 N6 O11 -","- C26 H13 Mn2 N6 O11 -","- C104 H52 Mn8 N24 O44 -","4","1","","Wang, Yu-Xian; Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Xu, Ling-Ling; Lachgar, Abdessadek; Zhang, Jian-Jun","Four (5,5)-connected three-dimensional metal organic materials based on pentacarboxylate ligand: Synthesis, structures and characterization","CrystEngComm","2013","15","32","6395","","10.1039/c3ce40599k","","","0.71073","MoKα","","0.0709","0.0502","","","0.1142","0.1225","","","","","","0.904","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210273","16","0.004","21.411","0.005","19.198","0.005","90","","99.861","0.003","90","","6480","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Cu4 N8 O17 -","- C31 H22 Cu4 N8 O17 -","- C124 H88 Cu16 N32 O68 -","4","1","","Wang, Yu-Xian; Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Xu, Ling-Ling; Lachgar, Abdessadek; Zhang, Jian-Jun","Four (5,5)-connected three-dimensional metal organic materials based on pentacarboxylate ligand: Synthesis, structures and characterization","CrystEngComm","2013","15","32","6395","","10.1039/c3ce40599k","","","0.71073","MoKα","","0.0558","0.0363","","","0.0775","0.0813","","","","","","0.958","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210274","10.8122","0.001","11.1482","0.0011","31.445","0.003","90","","90","","90","","3790.3","0.6","248","2","248","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl3 Cu N6 O10 -","- C10 H13 Cl3 Cu N6 O10 -","- C80 H104 Cl24 Cu8 N48 O80 -","8","1","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0477","0.0358","","","0.0938","0.1004","","","","","","1.02","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210275","32.804","0.003","6.6637","0.0006","21.391","0.002","90","","128.802","0.005","90","","3644.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H15 Cl Cu N8 O9 -","- C10 H15 Cl Cu N8 O9 -","- C80 H120 Cl8 Cu8 N64 O72 -","8","1","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0455","0.0404","","","0.1085","0.1133","","","","","","1.035","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210276","14.87","0.006","19.709","0.008","8.759","0.003","90","","106.423","0.004","90","","2462.3","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl4 Cu2 N12 -","- C20 H16 Cl4 Cu2 N12 -","- C80 H64 Cl16 Cu8 N48 -","4","0.5","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0651","0.0377","","","0.0483","0.0513","","","","","","1.58","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210277","14.641","0.007","14.569","0.007","12.478","0.006","90","","94.49","0.004","90","","2653","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Cl3 Cu2 N12 O5 -","- C20 H17 Cl3 Cu2 N12 O5 -","- C80 H68 Cl12 Cu8 N48 O20 -","4","0.5","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0492","0.0341","","","0.0799","0.0883","","","","","","1.027","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210278","11.2535","0.0006","11.921","0.001","12.0912","0.0009","92.17","0.007","115.524","0.006","107.005","0.006","1374.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Cl2 Cu2 N13 O6 -","- C20 H21 Cl2 Cu2 N13 O6 -","- C40 H42 Cl4 Cu4 N26 O12 -","2","1","","Cao, Jing; Liu, Jia-Cheng; Deng, Wen-Ting; Jin, Neng-Zhi","Structurally diverse copper(ii) complexes with pyridazine-integrated with pyrazine‒Schiff base ligand featuring an easily lost proton in the hydrazone backbone","CrystEngComm","2013","15","32","6359","","10.1039/c3ce40605a","","","0.71073","MoKα","","0.0462","0.0374","","","0.0896","0.0964","","","","","","1.035","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210279","9.924","0.008","9.781","0.006","22.976","0.016","90","","102.64","0.03","90","","2176","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N4 O7 S -","- C21 H20 N4 O7 S -","- C84 H80 N16 O28 S4 -","4","1","","Guo, Fang; Zhang, Ming-Qian; Famulari, Antonino; Martí-Rujas, Javier","Solid state transformations in stoichiometric hydrogen bonded molecular salts: ionic interconversion and dehydration processes","CrystEngComm","2013","15","31","6237","","10.1039/c3ce40614h","","","0.71073","MoKα","","0.0878","0.051","","","0.1228","0.1574","","","","","","0.965","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210280","21.4632","0.0018","5.7527","0.0005","18.1385","0.0015","90","","114.205","0.006","90","","2042.7","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N4 O6 S -","- C21 H18 N4 O6 S -","- C84 H72 N16 O24 S4 -","4","1","","Guo, Fang; Zhang, Ming-Qian; Famulari, Antonino; Martí-Rujas, Javier","Solid state transformations in stoichiometric hydrogen bonded molecular salts: ionic interconversion and dehydration processes","CrystEngComm","2013","15","31","6237","","10.1039/c3ce40614h","","","1.54178","CuKα","","0.1382","0.0576","","","0.1315","0.1629","","","","","","1.003","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210281","7.8714","0.0005","16.5514","0.0011","13.6543","0.0007","90","","124.464","0.003","90","","1466.69","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O6 S -","- C14 H12 N2 O6 S -","- C56 H48 N8 O24 S4 -","4","1","","Guo, Fang; Zhang, Ming-Qian; Famulari, Antonino; Martí-Rujas, Javier","Solid state transformations in stoichiometric hydrogen bonded molecular salts: ionic interconversion and dehydration processes","CrystEngComm","2013","15","31","6237","","10.1039/c3ce40614h","","","0.71073","MoKα","","0.0455","0.0416","","","0.1018","0.1048","","","","","","1.014","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210282","11.4318","0.0009","8.4683","0.0007","13.999","0.0001","90","","105.272","0.0001","90","","1307.36","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 I4 Ru2 -","- C20 H28 I4 Ru2 -","- C40 H56 I8 Ru4 -","2","0.5","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0434","0.0265","","","0.0533","0.0567","","","","","","0.874","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210283","7.7049","0.0007","8.3452","0.0007","20.036","0.002","90","","92.797","0.001","90","","1286.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 I4 Ru2 -","- C20 H28 I4 Ru2 -","- C40 H56 I8 Ru4 -","2","0.5","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0426","0.0357","","","0.0879","0.0913","","","","","","1.042","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210284","7.55","0.005","16.543","0.005","7.885","0.005","90","","103.431","0.005","90","0.05","957.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl4 Ru2 -","- C18 H20 Cl4 Ru2 -","- C36 H40 Cl8 Ru4 -","2","0.5","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0384","0.027","","","0.0887","0.1002","","","","","","0.715","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210285","15.659","0.005","7.66","0.005","17.82","0.005","90","0.005","112.476","0.005","90","0.005","1975.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 Cl2 N O2 Ru -","- C18 H23 Cl2 N O2 Ru -","- C72 H92 Cl8 N4 O8 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Pelagatti, Paolo","Polymorphs and co-crystal with half-sandwich Ru(ii) dimers [(η6-arene)RuX2]2","CrystEngComm","2013","15","34","6722","","10.1039/c3ce40618k","","","0.71073","MoKα","","0.0546","0.0353","","","0.0751","0.0818","","","","","","1.032","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210286","23.763","0.003","21.535","0.002","26.471","0.003","90","","97.687","0.002","90","","13424","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H34 Co2 N2 O12 -","- C45 H34 Co2 N2 O12 -","- C360 H272 Co16 N16 O96 -","8","1","","Zhou, Lian; Xue, Yun-Shan; Zhang, Jun; Du, Hong-Bin; You, Xiao-Zeng","Construction of three-dimensional metal‒organic frameworks in the presence of a tetrahedral ligand and a secondary bidentate linker","CrystEngComm","2013","15","31","6199","","10.1039/c3ce40621k","","","0.71073","MoKα","","0.0955","0.0507","","","0.1092","0.1168","","","","","","1.015","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210287","23.763","0.003","21.535","0.002","26.471","0.003","90","","97.687","0.002","90","","13424","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H34 N2 O12 Zn2 -","- C45 H34 N2 O12 Zn2 -","- C360 H272 N16 O96 Zn16 -","8","1","","Zhou, Lian; Xue, Yun-Shan; Zhang, Jun; Du, Hong-Bin; You, Xiao-Zeng","Construction of three-dimensional metal‒organic frameworks in the presence of a tetrahedral ligand and a secondary bidentate linker","CrystEngComm","2013","15","31","6199","","10.1039/c3ce40621k","","","0.71073","MoKα","","0.1332","0.0743","","","0.1969","0.2146","","","","","","1.069","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210288","26.39","0.002","19.0868","0.0016","27.639","0.002","90","","95.478","0.001","90","","13858.2","1.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H26.5 Cd O12.25 -","- C33 H26.5 Cd O12.25 -","- C264 H212 Cd8 O98 -","8","1","","Zhou, Lian; Xue, Yun-Shan; Zhang, Jun; Du, Hong-Bin; You, Xiao-Zeng","Construction of three-dimensional metal‒organic frameworks in the presence of a tetrahedral ligand and a secondary bidentate linker","CrystEngComm","2013","15","31","6199","","10.1039/c3ce40621k","","","0.71073","MoKα","","0.1195","0.0696","","","0.2096","0.2228","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210289","13.2108","0.001","14.2447","0.001","14.5976","0.0011","90","","113.318","0.001","90","","2522.7","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H44 Ag4 Cl4 N12 O20 S6 -","- C24 H44 Ag4 Cl4 N12 O20 S6 -","- C48 H88 Ag8 Cl8 N24 O40 S12 -","2","0.5","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0288","0.0263","","","0.0628","0.0641","","","","","","1.068","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210290","8.9829","0.0013","11.1316","0.0016","11.1548","0.0016","70.62","0.002","79.114","0.002","74.141","0.002","1006.2","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H12 Ag2 F6 N4 O4 S2 -","- C12 H12 Ag2 F6 N4 O4 S2 -","- C24 H24 Ag4 F12 N8 O8 S4 -","2","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0405","0.0363","","","0.0892","0.0937","","","","","","1.063","","","","has coordinates,has disorder","180433","2020-10-21","18:00:00",""
"7210291","12.862","0.002","19.608","0.004","26.579","0.005","90","","90","","90","","6703","2","296","2","296.15","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C16 H24 Ag2 As2 F12 N8 S3 -","- C16 H24 Ag2 As2 F12 N8 S3 -","- C128 H192 Ag16 As16 F96 N64 S24 -","8","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.1007","0.05","","","0.1345","0.1626","","","","","","1.029","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210292","6.9033","0.0012","7.852","0.0013","8.6789","0.0015","99.337","0.002","97.714","0.002","115.448","0.002","408.04","0.12","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H6 Ag N3 O3 S -","- C4 H6 Ag N3 O3 S -","- C8 H12 Ag2 N6 O6 S2 -","2","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0312","0.0306","","","0.0989","0.0992","","","","","","1.035","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210293","6.6152","0.0006","15.4671","0.0014","8.1921","0.0008","90","","113.208","0.001","90","","770.37","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu N6 O6 S2 -","- C8 H12 Cu N6 O6 S2 -","- C16 H24 Cu2 N12 O12 S4 -","2","0.5","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0218","0.021","","","0.0548","0.0553","","","","","","1.04","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210294","14.629","0.002","12.3526","0.0008","9.8215","0.001","90","","121.535","0.009","90","","1512.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C24 H40 Cu8 N44 O8 S4 -","- C24 H40 Cu8 N44 O8 S4 -","- C24 H40 Cu8 N44 O8 S4 -","1","0.125","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.15","0.0732","","","0.1561","0.2044","","","","","","1.03","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210295","25.7473","0.0014","25.7473","0.0014","23.3799","0.0013","90","","90","","120","","13422.6","1.3","173","2","173","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C20 H44 Cl4 N9 Ni4.5 O28.5 S4 -","- C20 H44 Cl4 N9 Ni4.5 O28.5033 S4 -","- C240 H528 Cl48 N108 Ni54 O342.04 S48 -","12","1","","Liu, Ju Yan; Liu, Zhong Yi; Zhang, Li Jun; Wang, You You; Yang, Pan; Wang, Ying; Ding, Bin; Zhao, Xiao Jun","Synthesis, structure, and characterization of a series of Ag(i), Cu(ii) and Ni(ii) complexes based on 2,5-dimethyl-1,3,4-thiodiazole","CrystEngComm","2013","15","32","6413","","10.1039/c3ce40672e","","","0.71073","MoKα","","0.0484","0.0377","","","0.095","0.1034","","","","","","1.047","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210296","23.986","0.006","23.986","0.006","10.481","0.004","90","","90","","90","","6030","3","293","2","293","2","","","","","","","","5","P 4/n n c :2","-P 4a 2bc","126","","","","- C7 H8 O6.5 P Zn -","- C7 H4 O6.5 P Zn -","- C112 H64 O104 P16 Zn16 -","16","1","","Deng, Mingli; Liu, Xiaofeng; Zheng, Qingshu; Chen, Zhenxia; Fang, Changye; Yue, Bin; He, Heyong","Controllable preparation and structures of two zinc phosphonocarboxylate frameworks with MER and RHO zeolitic topologies","CrystEngComm","2013","15","35","7056","","10.1039/c3ce40673c","","","0.71073","MoKα","","0.0962","0.0866","","","0.2631","0.274","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210297","32.652","0.005","32.652","0.005","32.652","0.005","90","","90","","90","","34812","9","293","2","293","2","","","","","","","","5","P n -3 n :2","-P 4a 2bc 3","222","","","","- C14 H10 O11 P2 Zn2.5 -","- C14 H8 O11 P2 Zn2.5 -","- C672 H384 O528 P96 Zn120 -","48","1","","Deng, Mingli; Liu, Xiaofeng; Zheng, Qingshu; Chen, Zhenxia; Fang, Changye; Yue, Bin; He, Heyong","Controllable preparation and structures of two zinc phosphonocarboxylate frameworks with MER and RHO zeolitic topologies","CrystEngComm","2013","15","35","7056","","10.1039/c3ce40673c","","","0.71073","MoKα","","0.0896","0.0559","","","0.1345","0.1473","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210298","9.4155","0.0006","9.9399","0.0004","15.3997","0.0008","82.238","0.007","86.946","0.007","88.633","0.008","1425.81","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H25 Mn2 N3 O11 S2 -","- C24 H25 Mn2 N3 O11 S2 -","- C48 H50 Mn4 N6 O22 S4 -","2","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.0802","0.0563","","","0.1467","0.1746","","","","","","0.933","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210299","16.4733","0.0012","10.6596","0.0006","21.7791","0.0013","90","","92.688","0.005","90","","3820.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 Mn3 N3 O15 S3 -","- C30 H27 Mn3 N3 O15 S3 -","- C120 H108 Mn12 N12 O60 S12 -","4","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.086","0.0644","","","0.1795","0.2088","","","","","","1.113","","","","has coordinates","180433","2020-10-21","18:00:00",""
"7210300","11.857","0.009","18.273","0.013","11.496","0.011","90","","99.2","0.02","90","","2459","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 Mn N O5 S -","- C10 H11 Mn N O5 S -","- C80 H88 Mn8 N8 O40 S8 -","8","1","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.0884","0.0602","","","0.1539","0.234","","","","","","1.17","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210301","22.7772","0.0016","22.7772","0.0016","12.8156","0.0018","90","","90","","90","","6648.7","1.1","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C14 H7 Mn2 O10 S2 -","- C14 H7 Mn2 O10 S2 -","- C112 H56 Mn16 O80 S16 -","8","0.5","","Tan, Yan-Xi; He, Yan-Ping; Zhang, Ying; Zheng, Yan-Jun; Zhang, Jian","Solvent controlled assembly of four Mn(ii)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties","CrystEngComm","2013","15","30","6009","","10.1039/c3ce40677f","","","0.71073","MoKα","","0.1448","0.1221","","","0.3106","0.3353","","","","","","1.097","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210302","24.3021","0.001","16.0142","0.0006","22.0018","0.0009","90","","100.138","0.001","90","","8428.9","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N Nd O9 Si -","- C30 H24 N Nd O9 Si -","- C240 H192 N8 Nd8 O72 Si8 -","8","1","","Xue, Yun-Shan; Zhou, Lian; Liu, Mei-Pin; Liu, Su-Meng; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng","Construction of lanthanide metal‒organic frameworks with highly-connected topology based on a tetrapodal linker","CrystEngComm","2013","15","31","6229","","10.1039/c3ce40682b","","","0.71073","MoKα","","0.0384","0.03","","","0.0798","0.0816","","","","","","1.14","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210303","18.735","0.002","30.214","0.003","24.837","0.003","90","","90","","90","","14059","3","296","2","296","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C84 H60 Eu4 O30 Si3 -","- C84 H48 Eu4 O30 Si3 -","- C336 H192 Eu16 O120 Si12 -","4","0.25","","Xue, Yun-Shan; Zhou, Lian; Liu, Mei-Pin; Liu, Su-Meng; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng","Construction of lanthanide metal‒organic frameworks with highly-connected topology based on a tetrapodal linker","CrystEngComm","2013","15","31","6229","","10.1039/c3ce40682b","","","0.71073","MoKα","","0.0775","0.0481","","","0.1252","0.1299","","","","","","1.085","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210304","18.774","0.002","29.704","0.003","24.89","0.003","90","","90","","90","","13880","3","296","2","296","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C84 H60 Er4 O30 Si3 -","- C84 H48 Er4 O30 Si3 -","- C336 H192 Er16 O120 Si12 -","4","0.25","","Xue, Yun-Shan; Zhou, Lian; Liu, Mei-Pin; Liu, Su-Meng; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng","Construction of lanthanide metal‒organic frameworks with highly-connected topology based on a tetrapodal linker","CrystEngComm","2013","15","31","6229","","10.1039/c3ce40682b","","","0.71073","MoKα","","0.0677","0.0402","","","0.0752","0.0772","","","","","","1.14","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210305","13.085","0.003","19.689","0.004","22.821","0.005","104.33","0.03","95.37","0.03","104.76","0.03","5431","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H104 As4 N2 Na10 O199 Tb6 W44 -","- C10 H18 As4 N2 Na10 O199 Tb6 W44 -","- C10 H18 As4 N2 Na10 O199 Tb6 W44 -","1","0.5","","Feng, Xiao-Jia; Han, Hua-Yan; Wang, Yong-Hui; Li, Lu-Lu; Li, Yang-Guang; Wang, En-Bo","Assembly of chainlike polyoxometalate-based lanthanide complexes in one-pot reaction system","CrystEngComm","2013","15","36","7267","","10.1039/c3ce40686e","","","0.71073","MoKα","","0.1438","0.0865","","","0.1569","0.1729","","","","","","1.045","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210306","13.047","0.003","19.597","0.004","22.707","0.005","104.41","0.03","95.24","0.03","104.76","0.03","5363","2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H114 As4 Dy6 N2 Na10 O204 W44 -","- C10 H18 As4 Dy6 N2 Na10 O201 W44 -","- C10 H18 As4 Dy6 N2 Na10 O201 W44 -","1","0.5","","Feng, Xiao-Jia; Han, Hua-Yan; Wang, Yong-Hui; Li, Lu-Lu; Li, Yang-Guang; Wang, En-Bo","Assembly of chainlike polyoxometalate-based lanthanide complexes in one-pot reaction system","CrystEngComm","2013","15","36","7267","","10.1039/c3ce40686e","","","0.71073","MoKα","","0.1067","0.0704","","","0.1456","0.1609","","","","","","1.038","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210307","15.4412","0.0012","19.3382","0.0015","22.4967","0.0017","77.841","0.001","83.381","0.001","87.227","0.001","6521.1","0.9","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C10 H134 As4 N2 Na10 Nd6 O214 W44 -","- C10 H18 As4 N2 Na10 Nd6 O194 W44 -","- C10 H18 As4 N2 Na10 Nd6 O194 W44 -","1","0.5","","Feng, Xiao-Jia; Han, Hua-Yan; Wang, Yong-Hui; Li, Lu-Lu; Li, Yang-Guang; Wang, En-Bo","Assembly of chainlike polyoxometalate-based lanthanide complexes in one-pot reaction system","CrystEngComm","2013","15","36","7267","","10.1039/c3ce40686e","","","0.71073","MoKα","","0.0915","0.0561","","","0.1297","0.1406","","","","","","0.973","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210308","8.4958","0.0005","15.7766","0.001","5.9616","0.0004","90","","99.269","0.003","90","","788.63","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H22 Cl4 Cu2 N2 -","- C10 H22 Cl4 Cu2 N2 -","- C20 H44 Cl8 Cu4 N4 -","2","0.5","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.0261","0.0208","","","0.0465","0.0486","","","","","","1.033","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210309","9.2245","0.0002","9.3525","0.0002","9.6145","0.0002","76.753","0.001","84.99","0.001","82.601","0.001","799.23","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H24 Cl4 Cu N2 O -","- C10 H24 Cl4 Cu N2 O -","- C20 H48 Cl8 Cu2 N4 O2 -","2","1","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.022","0.0185","","","0.045","0.0469","","","","","","1.042","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210310","7.6443","0.0004","7.6443","0.0004","19.1597","0.0012","90","","90","","90","","1119.6","0.11","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C4 H12 Cl4 Cu N2 -","- C4 H12 Cl4 Cu N2 -","- C16 H48 Cl16 Cu4 N8 -","4","0.5","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.0163","0.0154","","","0.0366","0.0368","","","","","","1.059","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210311","10.9151","0.0009","6.7334","0.0006","12.1914","0.001","90","","96.197","0.005","90","","890.78","0.13","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 Cl3 Cu N2 -","- C4 H12 Cl3 Cu N2 -","- C16 H48 Cl12 Cu4 N8 -","4","0.5","","Tuikka, Matti; Kersen, Ülo; Haukka, Matti","A new copper chloride chain by supported hydrogen bonding","CrystEngComm","2013","15","31","6177","","10.1039/c3ce40692j","","","0.71073","MoKα","","0.0527","0.0352","","","0.0618","0.0678","","","","","","1.022","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210312","26.88","0.005","19.664","0.004","16.83","0.003","90","","101.88","0.03","90","","8705","3","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H42 Er2 N6 O6 -","- C48 H42 Er2 N6 O6 -","- C384 H336 Er16 N48 O48 -","8","2","","Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan","Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand","CrystEngComm","2013","15","31","6213","","10.1039/c3ce40714d","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210313","11.0044","0.0006","17.2845","0.0004","11.531","0.0004","90","","104.002","0.004","90","","2128.09","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N4 O8 Yb2 -","- C42 H42 N4 O8 Yb2 -","- C84 H84 N8 O16 Yb4 -","2","0.5","","Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan","Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand","CrystEngComm","2013","15","31","6213","","10.1039/c3ce40714d","","","0.71073","MoKα","","0.046","0.03","","","0.0557","0.0642","","","","","","1.07","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210314","10.984","0.002","17.332","0.003","11.518","0.002","90","","102.68","0.03","90","","2139.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 Er N4 O8 Yb -","- C42 H42 Er N4 O8 Yb -","- C84 H84 Er2 N8 O16 Yb2 -","2","0.5","","Gao, Ting; Yang, Yu; Sun, Wen-Bin; Li, Guang-Ming; Hou, Guang-Feng; Yan, Peng-Fei; Li, Ji-Tong; Ding, Dan-Dan","Syntheses, structure and near-infrared (NIR) luminescence of Er2, Yb2, ErYb of homodinuclear and heterodinuclear lanthanide(iii) complexes based on salen ligand","CrystEngComm","2013","15","31","6213","","10.1039/c3ce40714d","","","0.71073","MoKα","","0.0606","0.0394","","","0.0802","0.0897","","","","","","1.064","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210315","9.1075","0.0004","15.797","0.0007","16.6894","0.0007","90","","105.699","0.001","90","","2311.55","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Felodipine : N,N-dimethylacetamide (1:1)","","","- C22 H28 Cl2 N2 O5 -","- C22 H28 Cl2 N2 O5 -","- C88 H112 Cl8 N8 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Crystal architecture and physicochemical properties of felodipine solvates","CrystEngComm","2013","15","30","6054","","10.1039/c3ce40715b","","","0.71073","MoKα","","0.0578","0.0475","","","0.1343","0.1422","","","","","","1.07","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210316","28.6544","0.0012","11.445","0.0005","14.573","0.0006","90","","90.715","0.001","90","","4778.8","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Felodipine : 1,3-dimethylimidazolidine-2-one (1:1)","","","- C23 H29 Cl2 N3 O5 -","- C23 H29 Cl2 N3 O5 -","- C184 H232 Cl16 N24 O40 -","8","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Crystal architecture and physicochemical properties of felodipine solvates","CrystEngComm","2013","15","30","6054","","10.1039/c3ce40715b","","","0.71073","MoKα","","0.054","0.0469","","","0.1202","0.1248","","","","","","1.084","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210317","16.3261","0.0018","11.4866","0.0011","14.7468","0.0017","90","","111.959","0.003","90","","2564.9","0.5","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Felodipine : tetramethylurea (1:1)","","","- C23 H31 Cl2 N3 O5 -","- C23 H31 Cl2 N3 O5 -","- C92 H124 Cl8 N12 O20 -","4","1","","Surov, Artem O.; Solanko, Katarzyna A.; Bond, Andrew D.; Bauer-Brandl, Annette; Perlovich, German L.","Crystal architecture and physicochemical properties of felodipine solvates","CrystEngComm","2013","15","30","6054","","10.1039/c3ce40715b","","","0.71073","MoKα","","0.1033","0.0563","","","0.142","0.1579","","","","","","0.959","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210318","7.0258","0.0004","8.7456","0.0007","11.5823","0.0008","97.224","0.006","105.576","0.006","106.448","0.006","641.61","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N4 O5 Zn0.5 -","- C12 H13 N4 O5 Zn0.5 -","- C24 H26 N8 O10 Zn -","2","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","1.54183","CuKα","","0.0373","0.0328","","","0.0859","0.0924","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210319","30.646","0.002","8.0603","0.0003","16.7255","0.0009","90","","116.28","0.007","90","","3704.4","0.4","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 N6 O14 Zn -","- C40 H40 N6 O14 Zn -","- C160 H160 N24 O56 Zn4 -","4","0.5","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","0.71073","MoKα","","0.0739","0.048","","","0.1036","0.1196","","","","","","0.981","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210320","30.58","0.002","8.0664","0.0003","16.7188","0.0009","90","","116.268","0.007","90","","3698.2","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 N6 Ni O14 -","- C40 H40 N6 Ni O14 -","- C160 H160 N24 Ni4 O56 -","4","0.5","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","1.5418","CuKα","","0.0586","0.0442","","","0.1147","0.1256","","","","","","1.048","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210321","9.5388","0.0004","9.6007","0.0003","11.3978","0.0005","83.76","0.003","84.192","0.003","69.97","0.004","972.57","0.07","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C43 H39 Cu N7 O11 -","- C43 H39 Cu N7 O11 -","- C43 H39 Cu N7 O11 -","1","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","1.5418","CuKα","","0.031","0.0285","","","0.0815","0.0863","","","","","","1.162","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210322","20.282","0.001","22.034","0.001","20.6546","0.0008","90","","90","","90","","9230.4","0.7","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C50 H44 Cr N11 O9 -","- C50 H36 Cr N11 O9 -","- C400 H288 Cr8 N88 O72 -","8","1","","Eshtiagh-Hosseini, Hossein; Mirzaei, Masoud; Biabani, Marzieh; Lippolis, Vito; Chahkandi, Mohammad; Bazzicalupi, Carla","Insight into the connecting roles of interaction synthons and water clusters within different transition metal coordination compounds of pyridine-2,5-dicarboxylic acid: experimental and theoretical studies","CrystEngComm","2013","15","34","6752","","10.1039/c3ce40743h","","","0.71073","MoKα","","0.1754","0.095","","","0.2255","0.2858","","","","","","0.99","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210323","16.8518","0.0003","9.3426","0.0002","16.0838","0.0003","90","","116.507","0.001","90","","2266.04","0.08","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N6 Ni -","- C28 H20 N6 Ni -","- C112 H80 N24 Ni4 -","4","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.033","0.0295","","","0.0781","0.0804","","","","","","1.057","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210324","13.8377","0.0003","13.8377","0.0003","20.3849","0.0004","90","","90","","120","","3380.39","0.12","173","2","173","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C46 H40 Cl6 N6 Ni O -","- C46 H40 Cl6 N6 Ni O -","- C138 H120 Cl18 N18 Ni3 O3 -","3","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0727","0.0636","","","0.1679","0.1748","","","","","","1.16","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210325","9.1455","0.0002","22.8915","0.0004","17.1438","0.0003","90","","103.468","0.001","90","","3490.43","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 Cl3 N6 Ni -","- C41 H29 Cl3 N6 Ni -","- C164 H116 Cl12 N24 Ni4 -","4","1","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0672","0.0449","","","0.1067","0.1209","","","","","","1.048","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210326","23.9544","0.0006","9.6535","0.0002","17.2072","0.0004","90","","107.043","0.002","90","","3804.32","0.16","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C83 H81 N19 Ni2 O5 -","- C83 H81 N19 Ni2 O5 -","- C166 H162 N38 Ni4 O10 -","2","0.5","","Béziau, Antoine; Baudron, Stéphane A.; Rogez, Guillaume; Hosseini, Mir Wais","Ni(ii) dipyrrin complexes bearing peripheral pyridyl or imidazolyl groups self-assemble into 2- and 3-D coordination polymers","CrystEngComm","2013","15","30","5980","","10.1039/c3ce40762d","","","0.71073","MoKα","","0.0348","0.0311","","","0.0815","0.0837","","","","","","1.033","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210327","16.8936","0.0016","7.615","0.0007","12.9428","0.0012","90","","91.339","0.002","90","","1664.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N O2 -","- C22 H19 N O2 -","- C88 H76 N4 O8 -","4","1","","Kobayashi, Yuhei; Tanaka, Yuki; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Chiral anthracene fluorescence system using achiral 1-naphthylmethylamine","CrystEngComm","2013","15","31","6259","","10.1039/c3ce40765a","","","0.71073","MoKα","","0.0793","0.0555","","","0.1336","0.1516","","","","","","1.062","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210328","12.589","0.002","5.9903","0.0009","14.136","0.002","90","","115.801","0.002","90","","959.8","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C52 H42 N2 O4 -","2","1","","Kobayashi, Yuhei; Tanaka, Yuki; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Chiral anthracene fluorescence system using achiral 1-naphthylmethylamine","CrystEngComm","2013","15","31","6259","","10.1039/c3ce40765a","","","0.71073","MoKα","","0.0707","0.0536","","","0.1115","0.1201","","","","","","1.097","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210329","18.302","0.006","8.68","0.003","12.923","0.004","90","","105.172","0.005","90","","1981.4","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N O2 -","- C28 H21 N O2 -","- C112 H84 N4 O8 -","4","1","","Kobayashi, Yuhei; Tanaka, Yuki; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Imai, Yoshitane","Chiral anthracene fluorescence system using achiral 1-naphthylmethylamine","CrystEngComm","2013","15","31","6259","","10.1039/c3ce40765a","","","0.71075","MoKα","","0.0826","0.0585","","","0.1502","0.1681","","","","","","1.077","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210330","18.044","0.006","18.044","0.006","19.407","0.008","90","","90","","90","","6319","4","296","2","296","2","","","","","","","","7","P 4 21 2","P 4ab 2ab","90","","","","- C24 H70 Cl2 N8 O28 Pd6 S8 -","- C24 H46 Cl2 N8 O28 Pd6 S8 -","- C96 H184 Cl8 N32 O112 Pd24 S32 -","4","0.5","","Lin, Zhengguo; Chen, Baokuan; Feng, Xiao; Wang, Bo; Chi, Yingnan; Fan, Yanxuan; Yang, Xinhang; Huang, Xianqiang; Hu, Changwen","Two chiral multinuclear palladium(ii) complexes comprising alternately arranged isomerous hexanuclear clusters","CrystEngComm","2013","15","33","6461","","10.1039/c3ce40773j","","","0.71073","MoKα","","0.1065","0.0664","","","0.1717","0.2022","","","","","","1.04","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7210331","16.252","0.003","19.15","0.003","22.751","0.004","90","","90","","90","","7081","2","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C30 H82 N12 O37 Pd6 S10 -","- C30 H60 N12 O37 Pd6 S10 -","- C120 H240 N48 O148 Pd24 S40 -","4","1","","Lin, Zhengguo; Chen, Baokuan; Feng, Xiao; Wang, Bo; Chi, Yingnan; Fan, Yanxuan; Yang, Xinhang; Huang, Xianqiang; Hu, Changwen","Two chiral multinuclear palladium(ii) complexes comprising alternately arranged isomerous hexanuclear clusters","CrystEngComm","2013","15","33","6461","","10.1039/c3ce40773j","","","0.71073","MoKα","","0.0914","0.0693","","","0.1759","0.202","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210332","9.51","0.005","9.693","0.006","13.597","0.008","103.857","0.005","100.543","0.004","107.06","0.008","1119.2","1.1","123","2","123","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","Rh_2_L1_2_CF3COO_2","","- C44 H28 F16 O10 Rh2 -","- C44 H28 F16 O10 Rh2 -","- C44 H28 F16 O10 Rh2 -","1","0.5","","Itoh, Takahiro; Kondo, Mio; Kanaike, Mari; Masaoka, Shigeyuki","Arene‒perfluoroarene interactions for crystal engineering of metal complexes: Controlled self-assembly of paddle-wheel dimers","CrystEngComm","2013","15","31","6122","","10.1039/c3ce40777b","","","0.710747","MoKα","","0.0684","0.0587","","","0.1575","0.1615","","","","","","1.229","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210333","9.0904","0.0005","26.7064","0.0002","17.9565","0.0008","90","","101.505","0.001","90","","4271.7","0.3","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/m 1","-P 2yb","11","","Cu_2_L1_4","","- C68 H32 Cu2 F20 O10 -","- C68 H32 Cu2 F20 O10 -","- C136 H64 Cu4 F40 O20 -","2","0.5","","Itoh, Takahiro; Kondo, Mio; Kanaike, Mari; Masaoka, Shigeyuki","Arene‒perfluoroarene interactions for crystal engineering of metal complexes: Controlled self-assembly of paddle-wheel dimers","CrystEngComm","2013","15","31","6122","","10.1039/c3ce40777b","","","0.71074","MoKα","","0.0818","0.0759","","","0.2422","0.2472","","","","","","1.143","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210334","8.006","0.002","11.184","0.003","34.465","0.005","90","","90","","90","","3086","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-(3,5-dinitrobenzoyl)-D-asparaginate 1.75-hydrate","","- C32 H35.5 N6 O11.75 -","- C32 H35.502 N6 O11.751 -","- C128 H142.008 N24 O47.004 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1026","0.0681","","","0.1489","0.1598","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210335","7.73","0.002","11.896","0.003","37.812","0.005","90","","90","","90","","3477","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","strychninium N-(3,5-dinitrobenzoyl)-L-asparaginate 5-hydrate","","- C32 H42 N6 O15 -","- C32 H42 N6 O15 -","- C128 H168 N24 O60 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.0671","0.0492","","","0.1076","0.1129","","","","","","1.038","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210336","12.358","0.003","8.354","0.002","18.078","0.002","90","","101.94","0.03","90","","1826","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","brucinium N-(3,5-dinitrobenzoyl)-D-asparaginate ethanol solvate hydrate","","- C36 H44 N6 O14 -","- C36 H43.9998 N6 O14 -","- C72 H87.9996 N12 O28 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1125","0.0766","","","0.1959","0.212","","","","","","1.037","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210337","38.752","0.005","12.287","0.003","7.909","0.002","90","","100.63","0.03","90","","3701.2","1.4","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-(3,5-dinitrobenzoyl)-L-asparaginate methanol 1.2-solvate 1.5-hydrate","","- C35.19 H43.75 N6 O14.69 -","- C35.189 H43.756 N6 O14.689 -","- C140.756 H175.024 N24 O58.756 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1778","0.0693","","","0.1202","0.1457","","","","","","0.873","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210338","7.924","0.002","12.14","0.003","20.495","0.003","73.21","0.02","79.37","0.02","80.53","0.03","1842.1","0.7","100","2","100","2","","","","","","","","4","P 1","P 1","1","","brucinium N-(3,5-dinitrobenzoyl)-L-asparaginate methanol 5-solvate","","- C36.5 H46 N6 O14.5 -","- C36.5 H45.998 N6 O14.4995 -","- C73 H91.996 N12 O28.999 -","2","2","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.1573","0.0631","","","0.1103","0.1335","","","","","","0.845","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210339","6.371","0.002","9.26","0.002","22.629","0.004","90","","90","","90","","1335","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3,5-dinitrobenzoyl)-D-asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","0.71073","MoKα","","0.0598","0.0423","","","0.0859","0.0911","","","","","","0.981","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210340","6.381","0.002","9.276","0.002","22.66","0.003","90","","90","","90","","1341.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-(3,5-dinitrobenzoyl)asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","1.54175","CuKα","","0.0919","0.0683","","","0.1646","0.1964","","","","","","1.06","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210341","4.583","0.002","21.947","0.005","12.852","0.003","90","","92.76","0.02","90","","1291.2","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-(3,5-dinitrobenzoyl)asparagine","","- C11 H10 N4 O8 -","- C11 H10 N4 O8 -","- C44 H40 N16 O32 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Spontaneous racemic resolution ‒ towards control of molecular recognition nature","CrystEngComm","2013","15","33","6448","","10.1039/c3ce40778k","","","1.54175","CuKα","","0.1472","0.064","","","0.1452","0.1674","","","","","","0.706","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210342","8.9669","0.0013","9.9577","0.0015","12.1033","0.0018","107.249","0.002","92.764","0.002","106.282","0.002","980.5","0.3","293","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 N4 O12 Zn2 -","- C44 H36 N4 O12 Zn2 -","- C44 H36 N4 O12 Zn2 -","1","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0733","0.0466","","","0.088","0.0987","","","","","","1.011","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210343","27.652","0.005","7.178","0.005","20.457","0.005","90","0.005","120.883","0.005","90","0.005","3485","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cd3 N2 O16 -","- C30 H34 Cd3 N2 O16 -","- C120 H136 Cd12 N8 O64 -","4","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.041","0.034","","","0.0647","0.067","","","","","","1.079","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210344","26.884","0.005","6.861","0.005","20.315","0.005","90","0.005","119.611","0.005","90","0.005","3258","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Co3 N2 O16 -","- C30 H30 Co3 N2 O16 -","- C120 H120 Co12 N8 O64 -","4","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0549","0.0397","","","0.0984","0.1083","","","","","","1.009","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210345","8.631","0.005","9.153","0.005","16.265","0.005","74.694","0.005","87.29","0.005","70.685","0.005","1168.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 Cd5 N18 O14 -","- C34 H36 Cd5 N18 O14 -","- C34 H36 Cd5 N18 O14 -","1","0.5","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0576","0.0524","","","0.1433","0.149","","","","","","1.065","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210346","10.7045","0.0017","13.064","0.002","16.586","0.003","90","","108.546","0.002","90","","2199","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 N2 O7 Zn -","- C21 H16 N2 O7 Zn -","- C84 H64 N8 O28 Zn4 -","4","1","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.084","0.0653","","","0.1853","0.2052","","","","","","1.055","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210347","15.532","0.003","19.713","0.003","15.214","0.003","90","","110.792","0.004","90","","4354.9","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H86 Cd6 N24 O41 -","- C68 H60 Cd6 N24 O41 -","- C136 H120 Cd12 N48 O82 -","2","0.25","","Hu, Dong-Hua; Sun, Chun-Yi; Liu, Fu-Hong; Qin, Chao; Wang, Xin-Long; Su, Zhong-Min","A series of coordination complexes based on unsymmetrical multicarboxylate ligands: syntheses, structures and properties","CrystEngComm","2013","15","34","6769","","10.1039/c3ce40782a","","","0.71073","MoKα","","0.0928","0.0654","","","0.15","0.166","","","","","","1.046","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210348","19.6517","0.0017","5.9639","0.0005","26.919","0.003","90","","105.21","0.007","90","","3044.4","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H35 N5 O7 Zn -","- C29 H35 N5 O7 Zn -","- C116 H140 N20 O28 Zn4 -","4","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.048","0.0337","","","0.0815","0.0873","","","","","","1.051","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210349","9.482","0.002","11.424","0.003","15.607","0.004","89.33","0.02","81.068","0.013","78.376","0.016","1635.5","0.7","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 N4 O10 Zn -","- C31 H38 N4 O10 Zn -","- C62 H76 N8 O20 Zn2 -","2","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.0754","0.0405","","","0.074","0.0773","","","","","","1.013","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210350","7.7047","0.0008","8.9034","0.0011","29.447","0.004","89.256","0.012","89.387","0.01","71.385","0.01","1914.1","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 N7 O7 Zn -","- C40 H48 N7 O7 Zn -","- C80 H96 N14 O14 Zn2 -","2","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.0533","0.0433","","","0.111","0.1179","","","","","","1.044","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210351","11.9409","0.0001","8.7538","0.0001","38.6259","0.0004","90","","95.216","0.001","90","","4020.78","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H49 Cd N6 O8 -","- C41 H49 Cd N6 O8 -","- C164 H196 Cd4 N24 O32 -","4","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.1142","0.0529","","","0.0873","0.1027","","","","","","1.002","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210352","9.7935","0.0004","12.1729","0.0006","18.9627","0.0009","78.802","0.003","89.871","0.003","70.511","0.003","2085.76","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H53 Cd N6 O11 -","- C42 H53 Cd N6 O11 -","- C84 H106 Cd2 N12 O22 -","2","1","","Cheng, Pei-Chi; Kuo, Po-Ting; Xie, Ming-Yuan; Hsu, Wayne; Chen, Jhy-Der","Structure-directing roles of auxiliary polycarboxylate ligands in the formation of Zn(ii) and Cd(ii) coordination polymers based on a flexible N,N′-di(3-pyridyl)dodecanediamide","CrystEngComm","2013","15","31","6264","","10.1039/c3ce40785c","","","0.71073","MoKα","","0.0599","0.0404","","","0.0783","0.0857","","","","","","1.05","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210353","5.9474","0.0005","14.2294","0.0017","10.5393","0.0009","90","","94.768","0.008","90","","888.83","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C44 H36 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","0.71073","MoKα","","0.1012","0.0583","","","0.1315","0.1532","","","","","","1.057","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210354","7.63","0.0015","12.848","0.003","10.165","0.002","90","","101.01","0.03","90","","978.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","0.7385","","","0.0461","0.0438","","","0.1262","0.1286","","","","","","1.074","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210355","11.1425","0.0003","15.6947","0.0004","14.6254","0.0005","90","","110.235","0.004","90","","2399.81","0.14","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C26 H28 N4 O3 -","- C26 H28 N4 O3 -","- C104 H112 N16 O12 -","4","1","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.0775","0.0593","","","0.1827","0.2012","","","","","","1.063","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210356","36.179","0.003","5.8548","0.0005","8.3919","0.0011","90","","102.225","0.009","90","","1737.3","0.3","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N4 O2 -","- C22 H18 N4 O2 -","- C88 H72 N16 O8 -","4","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.1282","0.0975","","","0.2733","0.2803","","","","","","1.358","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210357","5.2593","0.0005","5.0366","0.0004","35.673","0.003","90","","91.355","0.008","90","","944.68","0.14","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.0543","0.0391","","","0.109","0.1129","","","","","","1.105","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210358","5.1382","0.0001","7.0344","0.0001","29.416","0.0005","90","","93.937","0.001","90","","1060.71","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 O2 -","- C26 H26 N4 O2 -","- C52 H52 N8 O4 -","2","0.5","","Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina","Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives","CrystEngComm","2013","15","36","7212","","10.1039/c3ce40807h","","","1.5418","CuKα","","0.0411","0.0374","","","0.11","0.1136","","","","","","1.065","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210359","7.3871","0.0015","16.445","0.003","9.992","0.002","90","","94.97","0.03","90","","1209.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cd2 N4 O4 S4 -","- C20 H16 Cd2 N4 O4 S4 -","- C40 H32 Cd4 N8 O8 S8 -","2","0.5","","Zhang, Guoqi","Polymorphism in unusual one-dimensional coordination polymers based on cadmium(ii) and 2-mercaptopyridine N-oxide","CrystEngComm","2013","15","33","6453","","10.1039/c3ce40808f","","","0.71073","MoKα","","0.0349","0.0285","","","0.0678","0.07","","","","","","1.031","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210360","3.8452","0.0008","18.753","0.004","8.0557","0.0016","90","","93.49","0.03","90","","579.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cd N2 O2 S2 -","- C10 H8 Cd N2 O2 S2 -","- C20 H16 Cd2 N4 O4 S4 -","2","0.5","","Zhang, Guoqi","Polymorphism in unusual one-dimensional coordination polymers based on cadmium(ii) and 2-mercaptopyridine N-oxide","CrystEngComm","2013","15","33","6453","","10.1039/c3ce40808f","","","0.71073","MoKα","","0.0347","0.0307","","","0.082","0.0844","","","","","","1.026","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210361","43.577","0.003","7.6541","0.0005","21.0472","0.0013","90","","94.207","0.001","90","","7001.2","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H39 Co N6 O8 -","- C35 H39 Co N6 O8 -","- C280 H312 Co8 N48 O64 -","8","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.058","0.0408","","","0.1035","0.1102","","","","","","1.07","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210362","8.1724","0.001","11.1926","0.0014","15.0362","0.0019","76.094","0.002","89.461","0.002","89.015","0.002","1334.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H32 Co N4 O9 -","- C26 H32 Co N4 O9 -","- C52 H64 Co2 N8 O18 -","2","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.1235","0.0875","","","0.1744","0.1866","","","","","","0.986","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210363","9.0708","0.0011","10.1621","0.0012","11.7772","0.0014","99.457","0.002","106.621","0.002","108.491","0.002","946.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Co N3 O8 -","- C17 H22 Co N3 O8 -","- C34 H44 Co2 N6 O16 -","2","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.0601","0.0411","","","0.0956","0.1016","","","","","","1.002","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210364","6.913","0.0006","25.018","0.002","14.4591","0.0013","90","","96.337","0.002","90","","2485.4","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 Cu N4 O6 -","- C26 H26 Cu N4 O6 -","- C104 H104 Cu4 N16 O24 -","4","0.5","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.0476","0.0367","","","0.0886","0.0946","","","","","","0.997","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210365","16.258","0.002","9.5904","0.0011","18.92","0.002","90","","102.346","0.002","90","","2881.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H34 Cu N4 O10 -","- C26 H34 Cu N4 O10 -","- C104 H136 Cu4 N16 O40 -","4","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.0755","0.0441","","","0.0959","0.1126","","","","","","0.957","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210366","11.3258","0.0013","15.6874","0.0018","18.231","0.002","67.24","0.002","76.216","0.002","80.258","0.002","2890.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H68 Cu2 N10 O19 -","- C52 H68 Cu2 N10 O19 -","- C104 H136 Cu4 N20 O38 -","2","1","","Wang, Xiu-Li; Sui, Fang-Fang; Lin, Hong-Yan; Xu, Chuang; Liu, Guo-Cheng; Zhang, Ju-Wen; Tian, Ai-Xiang","Role of aromatic dicarboxylates in the structural diversity of cobalt(ii) and copper(ii) coordination polymers containing a flexible N,N′-di(3-pyridyl)octanediamide ligand","CrystEngComm","2013","15","36","7274","","10.1039/c3ce40825f","","","0.71073","MoKα","","0.1157","0.0608","","","0.1369","0.1627","","","","","","1.008","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210367","10.6425","0.0007","17.5482","0.0009","11.5193","0.0008","90","","141.11","0.003","90","","1350.65","0.17","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(pyridine)manganese(II)","","- C30 H28 Mn N2 O4 -","- C30 H28 Mn N2 O4 -","- C60 H56 Mn2 N4 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.058","0.0344","","","0.079","0.0834","","","","","","0.844","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210368","9.5507","0.0019","17.045","0.003","9.6962","0.0018","90","","110.425","0.018","90","","1479.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(pyridine)manganese(II)","","- C32 H32 Mn N2 O4 -","- C32 H32 Mn N2 O4 -","- C64 H64 Mn2 N4 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0955","0.0734","","","0.1943","0.2106","","","","","","1.145","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210369","13.5786","0.0008","13.5686","0.0012","18.24","0.002","90","","104.845","0.008","90","","3248.4","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(benzoylacetonato)bis(3,5-dimethylpyridine)manganese(II)","","- C34 H36 Mn N2 O4 -","- C34 H36 Mn N2 O4 -","- C136 H144 Mn4 N8 O16 -","4","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0748","0.0366","","","0.0876","0.095","","","","","","0.874","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210370","7.5573","0.0003","17.7535","0.0007","10.6145","0.0004","90","","101.146","0.003","90","","1397.27","0.1","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis(benzoylacetonato)bis(3-aminopyridine)manganese(II)","","- C30 H30 Mn N4 O4 -","- C30 H30 Mn N4 O4 -","- C60 H60 Mn2 N8 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0623","0.0315","","","0.0668","0.0712","","","","","","0.907","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210371","7.3008","0.0006","17.1487","0.001","13.0737","0.0013","90","","113.591","0.007","90","","1500","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(2-amino-3-methylpyridine)manganese(II)","","- C32 H34 Mn N4 O4 -","- C32 H34 Mn N4 O4 -","- C64 H68 Mn2 N8 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0773","0.0345","","","0.0768","0.0838","","","","","","0.881","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210372","7.3129","0.0016","8.752","0.002","24.543","0.007","90","","90.83","0.02","90","","1570.6","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(benzoylacetonato)bis(2-amino-5-methylpyridine)manganese(II)","","- C32 H34 Mn N4 O4 -","- C32 H34 Mn N4 O4 -","- C64 H68 Mn2 N8 O8 -","2","0.5","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0963","0.0379","","","0.0839","0.0945","","","","","","0.832","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210373","10.161","0.0004","12.6475","0.0005","12.9842","0.0006","85.849","0.004","73.618","0.004","74.865","0.004","1545.34","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","cis-bis(Benzoylacetonato)bis(2-amino-5-methylpyridine)manganese(II)","","- C32 H34 Mn N4 O4 -","- C32 H34 Mn N4 O4 -","- C64 H68 Mn2 N8 O8 -","2","1","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0769","0.0545","","","0.1495","0.1567","","","","","","1.024","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210374","9.0001","0.0007","12.7277","0.001","14.1367","0.0014","66.042","0.009","76.101","0.007","73.393","0.007","1403.8","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","cis-bis(benzoylacetonato)bis(2-aminopyridine)manganese(II)","","- C30 H30 Mn N4 O4 -","- C30 H30 Mn N4 O4 -","- C60 H60 Mn2 N8 O8 -","2","1","","Cvrtila, Ivica; Stilinović, Vladimir; Kaitner, Branko","Tuning of coordination geometry via cooperation of inter- and intramolecular hydrogen bonds in bis(benzoylacetonato)manganese(ii) adducts with pyridine derivatives","CrystEngComm","2013","15","33","6585","","10.1039/c3ce40826d","","","0.71073","MoKα","","0.0908","0.0364","","","0.0612","0.0677","","","","","","0.731","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210375","42.4912","0.0006","12.0468","0.0015","17.29","0.0007","90","","90","","90","","8850.5","1.2","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C24 H22 O8 -","- C24 H22 O8 -","- C384 H352 O128 -","16","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.0501","0.0426","","","0.1047","0.1101","","","","","","1.045","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210376","10.332","0.0009","13.792","0.0011","17.331","0.0014","70.708","0.007","88.355","0.007","87.483","0.007","2328.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H31 Na O19 Zn5 -","- C44 H26 O19 Zn5 -","- C88 H52 O38 Zn10 -","2","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.1018","0.0607","","","0.1329","0.1482","","","","","","0.971","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210377","13.137","0.0007","15.3527","0.0007","24.3497","0.0011","90","","105.103","0.005","90","","4741.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H43.5 N O15.25 Zn3 -","- C50 H32.5 N O15.25 Zn3 -","- C200 H130 N4 O61 Zn12 -","4","1","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.1089","0.0573","","","0.0983","0.1171","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210378","9.842","0.002","12.262","0.003","20.186","0.004","90","","97.577","0.019","90","","2414.8","0.9","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C52 H40 N4 O16 Zn3 -","- C52 H40 N4 O16 Zn3 -","- C104 H80 N8 O32 Zn6 -","2","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0944","0.0656","","","0.162","0.1854","","","","","","1.056","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210379","9.852","0.0004","12.241","0.0005","20.209","0.0008","90","","97.445","0.004","90","","2416.63","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C52 H40 Cd3 N4 O16 -","- C52 H40 Cd3 N4 O16 -","- C104 H80 Cd6 N8 O32 -","2","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0585","0.0369","","","0.0523","0.0574","","","","","","0.996","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210380","11.1595","0.0004","12.9301","0.0004","16.9715","0.0007","95.211","0.003","91.367","0.003","111.342","0.003","2267.24","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H74 O40 Pb7 -","- C88 H50 O40 Pb7 -","- C88 H50 O40 Pb7 -","1","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.0802","0.054","","","0.1238","0.1436","","","","","","1.034","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210381","10.113","0.0011","24.003","0.003","10.318","0.0007","90","","97.813","0.008","90","","2481.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C50 H34 N6 O15 Zn4 -","- C50 H24 N6 O15 Zn4 -","- C100 H48 N12 O30 Zn8 -","2","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0877","0.0526","","","0.1023","0.1193","","","","","","1.015","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210382","10.5387","0.0008","10.7309","0.0008","12.8111","0.0014","105.788","0.008","108.142","0.008","98.441","0.006","1281.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H46 N4 O16 Zn2 -","- C58 H42 N4 O16 Zn2 -","- C58 H42 N4 O16 Zn2 -","1","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71073","MoKα","","0.0977","0.061","","","0.1192","0.1337","","","","","","1.018","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210383","23.296","0.001","10.993","0.0004","27.031","0.0009","90","","103.73","0.004","90","","6724.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H58 N8 O18 Zn3 -","- C72 H50 N8 O18 Zn3 -","- C288 H200 N32 O72 Zn12 -","4","0.5","","Du, Peng; Yang, Yan; Yang, Jin; Liu, Ying-Ying; Kan, Wei-Qiu; Ma, Jian-Fang","A series of MOFs based on a tricarboxylic acid and various N-donor ligands: syntheses, structures, and properties","CrystEngComm","2013","15","35","6986","","10.1039/c3ce40828k","","","0.71069","MoKα","","0.0788","0.0516","","","0.1186","0.132","","","","","","1.011","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210384","12.685","0.003","13.348","0.003","16.747","0.005","100.13","0.004","103.059","0.005","110.356","0.003","2487.2","1.1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H100 Ag12 Br2 O20 P10 S20 -","- C40 H100 Ag12 Br2 O20 P10 S20 -","- C40 H100 Ag12 Br2 O20 P10 S20 -","1","0.5","","Li, Bing; Liao, Jian-Hong; Li, Yi-Juan; Liu, C. W.","Dihalogen-templated synthesis of dodecanuclear silver dichalcogenophosphate clusters","CrystEngComm","2013","15","31","6140","","10.1039/c3ce40829a","","","0.71073","MoKα","","0.0859","0.0555","","","0.1316","0.1545","","","","","","1.04","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210385","12.767","0.002","13.476","0.002","16.931","0.003","100.256","0.003","102.841","0.003","110.851","0.003","2546.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H100 Ag12 I2 O20 P10 S20 -","- C40 H100 Ag12 I2 O20 P10 S20 -","- C40 H100 Ag12 I2 O20 P10 S20 -","1","0.5","","Li, Bing; Liao, Jian-Hong; Li, Yi-Juan; Liu, C. W.","Dihalogen-templated synthesis of dodecanuclear silver dichalcogenophosphate clusters","CrystEngComm","2013","15","31","6140","","10.1039/c3ce40829a","","","0.71073","MoKα","","0.1181","0.0538","","","0.145","0.1784","","","","","","1.012","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210386","12.927","0.002","13.628","0.002","16.945","0.002","99.812","0.004","102.43","0.004","110.352","0.004","2633.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H100 Ag12 I2 O20 P10 Se20 -","- C40 H100 Ag12 I2 O20 P10 Se20 -","- C40 H100 Ag12 I2 O20 P10 Se20 -","1","0.5","","Li, Bing; Liao, Jian-Hong; Li, Yi-Juan; Liu, C. W.","Dihalogen-templated synthesis of dodecanuclear silver dichalcogenophosphate clusters","CrystEngComm","2013","15","31","6140","","10.1039/c3ce40829a","","","0.71073","MoKα","","0.1222","0.0585","","","0.1431","0.1895","","","","","","0.999","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210387","8.968","0.0003","10.388","0.0004","11.414","0.0004","99.427","0.003","112.791","0.002","90.988","0.003","963.25","0.06","298","2","298","2","","","","","","","Crystal Screening","6","P 1","P 1","1","lamivudine 4,5-dichloro hydrogen phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one 4,5-dichloro hydrogen phthalate","","- C16 H15 Cl2 N3 O7 S -","- C16 H15 Cl2 N3 O7 S -","- C32 H30 Cl4 N6 O14 S2 -","2","2","","da Silva, Cameron Capeletti; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Lamivudine salts with 1,2-dicarboxylic acids: A new and a rare synthon with double pairing motif fine-tuning their solubility","CrystEngComm","2013","15","32","6311","","10.1039/c3ce40844b","","x-ray","0.71073","MoKα","","0.0615","0.0451","","","0.1098","0.12","","","","","","1.019","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210388","5.311","0.0005","21.103","0.002","33.059","","90","","94.675","0.006","90","","3692.9","0.5","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","lamivudine hydrogen hemihydrate phthalate","4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-(1H)-pyrimidin-2-one hydrogen hemihydrate phthalate","","- C16 H18 N3 O7.5 S -","- C16 H18 N3 O7.5 S -","- C128 H144 N24 O60 S8 -","8","4","","da Silva, Cameron Capeletti; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Lamivudine salts with 1,2-dicarboxylic acids: A new and a rare synthon with double pairing motif fine-tuning their solubility","CrystEngComm","2013","15","32","6311","","10.1039/c3ce40844b","","","0.71073","MoKα","","0.1503","0.065","","","0.1757","0.2532","","","","","","0.99","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7210389","17.724","0.005","19.705","0.005","13.139","0.006","90","","127.496","0.002","90","","3641","2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H20 N6 O10 Zn2 -","- C20 H18 N6 O10 Zn2 -","- C80 H72 N24 O40 Zn8 -","4","0.5","","Yang, Feilong; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","A three-dimensional structure built of paddle-wheel and triazolate-dinuclear metal clusters: synthesis, deformation and reformation of paddle-wheel unit in the single-crystal-to-single-crystal transformation","CrystEngComm","2013","15","35","7031","","10.1039/c3ce40855h","","","0.71073","MoKα","","0.0515","0.0443","","","0.1415","0.1493","","","","","","1.08","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210390","8.23","0.004","21.274","0.01","14.195","0.007","90","","105.466","0.006","90","","2395","2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H21 N6 O9.5 Zn2 -","- C20 H20 N6 O9.5 Zn2 -","- C80 H80 N24 O38 Zn8 -","4","2","","Yang, Feilong; Zheng, Qingshu; Chen, Zhenxia; Ling, Yun; Liu, Xiaofeng; Weng, Linhong; Zhou, Yaming","A three-dimensional structure built of paddle-wheel and triazolate-dinuclear metal clusters: synthesis, deformation and reformation of paddle-wheel unit in the single-crystal-to-single-crystal transformation","CrystEngComm","2013","15","35","7031","","10.1039/c3ce40855h","","","0.71073","MoKα","","0.078","0.0566","","","0.1462","0.1663","","","","","","0.983","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210391","17.9896","0.0007","12.2939","0.0004","23.8922","0.0009","90","","107.805","0.004","90","","5031","0.3","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cu5(L1)4(MeOH)4](ClO4)2","","","- C40 H56 Cl2 Cu5 N8 O20 -","- C40 H56 Cl2 Cu5 N8 O20 -","- C160 H224 Cl8 Cu20 N32 O80 -","4","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0611","0.0423","","","0.0842","0.091","","","","","","1.074","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210392","11.283","0.002","11.482","0.002","13.688","0.003","72.42","0.03","80.58","0.03","61.8","0.03","1489.4","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu5(L)4(py)2](ClO4)2.py","","","- C51 H55 Cl2 Cu5 N11 O16 -","- C51 H55 Cl2 Cu5 N11 O16 -","- C51 H55 Cl2 Cu5 N11 O16 -","1","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.045","0.0378","","","0.1089","0.1152","","","","","","1.074","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210393","11.3067","0.0003","12.7372","0.0005","13.2511","0.0004","97.753","0.003","104.385","0.003","103.13","0.003","1762.79","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu5(L)4(py)6](ClO4)2","","","- C66 H70 Cl2 Cu5 N14 O16 -","- C66 H70 Cl2 Cu5 N14 O16 -","- C66 H70 Cl2 Cu5 N14 O16 -","1","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0348","0.0267","","","0.0644","0.0681","","","","","","1.063","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210394","11.3776","0.0007","12.6211","0.0009","12.6793","0.0008","90.229","0.006","107.558","0.006","104.589","0.006","1673.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","[Cu5(L)4(4,4-bpy)3](ClO4)2.H2O","","","- C66 H64 Cl2 Cu5 N14 O17 -","- C66 H64 Cl2 Cu5 N14 O17 -","- C66 H64 Cl2 Cu5 N14 O17 -","1","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0953","0.0696","","","0.1798","0.2254","","","","","","1.023","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210395","12.6809","0.0003","10.7919","0.0003","20.7122","0.0005","90","","100.018","0.002","90","","2791.27","0.12","149.8","","149.8","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Cu5]-tzp","","","- C48 H56 Cl2 Cu5 N12 O18 -","- C48 H56 Cl2 Cu5 N12 O18 -","- C96 H112 Cl4 Cu10 N24 O36 -","2","0.5","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0574","0.0379","","","0.0798","0.0874","","","","","","1.025","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210396","9.3958","0.0019","26.777","0.005","10.69","0.002","90","","100.54","0.03","90","","2644.1","0.9","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","[Cu5]","","","- C40 H47 Cl2 Cu5 N12 O20 -","- C40 H47 Cl2 Cu5 N12 O20 -","- C80 H94 Cl4 Cu10 N24 O40 -","2","1","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0746","0.0482","","","0.0686","0.0758","","","","","","0.963","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210397","11.064","0.0003","12.275","0.0004","17.2399","0.0006","110.321","0.003","96.075","0.003","96.316","0.002","2156.1","0.13","150","","150","","","","","","","","","6","P -1","-P 1","2","[Cu5]","","","- C32 H40 Cl2 Cu5 N8 O21 -","- C32 H40 Cl2 Cu5 N8 O20.99 -","- C64 H80 Cl4 Cu10 N16 O41.98 -","2","1","","McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.","Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks","CrystEngComm","2013","15","34","6672","","10.1039/c3ce40859k","","","0.7107","MoKα","","0.0456","0.0322","","","0.0742","0.0795","","","","","","1.063","","","","has coordinates,has disorder","180434","2020-10-21","18:00:00",""
"7210398","5.1041","0.0007","5.9092","0.0008","6.5261","0.001","96.484","0.012","103.696","0.013","101.969","0.011","184.34","0.05","298","2","298","2","","","","","","","","5","P 1","P 1","1","NAC","N-acetyl-L-cysteine","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C5 H9 N O3 S -","1","1","","Kumar, S. Sudalai; Nangia, Ashwini","A new conformational polymorph of N-acetyl-l-cysteine. The role of S‒H⋯O and C‒H⋯O interactions","CrystEngComm","2013","15","33","6498","","10.1039/c3ce40879e","","","0.71073","MoKα","","0.0532","0.0522","","","0.1418","0.1426","","","","","","1.105","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210399","6.0684","0.0006","7.6372","0.0009","16.005","0.002","90","","90","","90","","741.76","0.15","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","NAC","N-Acetyl-L-cysteine","","- C5 H9 N O3 S -","- C5 H9 N O3 S -","- C20 H36 N4 O12 S4 -","4","1","","Kumar, S. Sudalai; Nangia, Ashwini","A new conformational polymorph of N-acetyl-l-cysteine. The role of S‒H⋯O and C‒H⋯O interactions","CrystEngComm","2013","15","33","6498","","10.1039/c3ce40879e","","","0.71073","MoKα","","0.0718","0.0538","","","0.0864","0.0926","","","","","","1.109","","","","has coordinates","180434","2020-10-21","18:00:00",""
"7210400","19.8422","0.0006","13.8805","0.0004","17.235","0.0005","90","","101.477","0.001","90","","4651.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn2(tpa)2(adc)2].6H2O","","","- C44 H48 Mn2 N8 O14 -","- C44 H44 Mn2 N8 O14 -","- C176 H176 Mn8 N32 O56 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural diversity of the encapsulated water clusters in the 3D supramolecular assemblies: a cyclic quasi-planar hexamer of water constructed through strong hydrogen bonding interactions","CrystEngComm","2013","15","34","6652","","10.1039/c3ce40882e","","","0.71073","MoKα","","0.0305","0.0267","","","0.068","0.071","","","","","","1.03","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210401","20.877","0.005","14.366","0.003","16.576","0.004","90","","106.014","0.003","90","","4778.5","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn2(tpa)2(fumarate)2].8H2O","","","- C44 H56 Mn2 N8 O16 -","- C44 H52 Mn2 N8 O16 -","- C176 H208 Mn8 N32 O64 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural diversity of the encapsulated water clusters in the 3D supramolecular assemblies: a cyclic quasi-planar hexamer of water constructed through strong hydrogen bonding interactions","CrystEngComm","2013","15","34","6652","","10.1039/c3ce40882e","","","0.71073","MoKα","","0.0724","0.0445","","","0.1072","0.1186","","","","","","1.173","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210402","19.7966","0.0015","13.7795","0.0011","17.1799","0.0013","90","","101.871","0.003","90","","4586.2","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[Mn2(tpa)2(succinate)2].6H2O","","","- C44 H56 Mn2 N8 O14 -","- C44 H52 Mn2 N8 O14 -","- C176 H208 Mn8 N32 O56 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural diversity of the encapsulated water clusters in the 3D supramolecular assemblies: a cyclic quasi-planar hexamer of water constructed through strong hydrogen bonding interactions","CrystEngComm","2013","15","34","6652","","10.1039/c3ce40882e","","","0.71073","MoKα","","0.047","0.0462","","","0.1167","0.1174","","","","","","0.919","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210403","12.616","0.004","18.479","0.005","20.409","0.006","90","","90","","90","","4758","2","113","2","113","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C20 H27 Ag F6 N4 O1.5 P -","- C20 H22 Ag F6 N4 O1.5 P -","- C160 H176 Ag8 F48 N32 O12 P8 -","8","0.5","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0287","0.0276","","","0.078","0.079","","","","","","1.041","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210404","20.903","0.004","10.785","0.003","21.922","0.007","90","","90.808","0.013","90","","4942","2","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","complexes","","","- C42 H56 Ag2 F12 N8 O2 P2 -","- C42 H56 Ag2 F12 N8 O2 P2 -","- C168 H224 Ag8 F48 N32 O8 P8 -","4","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.1667","0.1235","","","0.2169","0.2438","","","","","","1.032","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210405","11.967","0.003","13.539","0.003","13.776","0.004","116.722","0.012","96.41","0.02","103.815","0.017","1873.2","0.9","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H74 Ag2 F12 N10 O2 P2 -","- C80 H74 Ag2 F12 N10 O2 P2 -","- C80 H74 Ag2 F12 N10 O2 P2 -","1","0.5","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0415","0.0345","","","0.0688","0.0713","","","","","","0.985","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210406","16.08","0.006","26.639","0.009","25.248","0.008","90","","98.115","0.006","90","","10707","6","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51.5 H48.25 Ag F6 N6.5 O1.75 P -","- C51.5 H41 Ag F6 N6.25 O1.755 P -","- C412 H328 Ag8 F48 N50 O14.04 P8 -","8","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.1036","0.0906","","","0.2328","0.2443","","","","","","1.109","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210407","15.946","0.003","17.488","0.003","19.16","0.003","68.336","0.004","85.729","0.009","86.013","0.009","4946.7","1.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C113 H100.5 Ag2 F12 N9.5 O4 P2 -","- C113 H100.5 Ag2 F12 N9.5 O4 P2 -","- C226 H201 Ag4 F24 N19 O8 P4 -","2","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0656","0.0543","","","0.1345","0.1423","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210408","12.733","0.002","15.734","0.003","19.262","0.004","83.265","0.008","80.083","0.008","70.44","0.006","3574.5","1.2","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H82 Ag F6 N6 O3 P -","- C77 H79 Ag F6 N6 O3 P -","- C154 H158 Ag2 F12 N12 O6 P2 -","2","1","","Lin, Cai-Xia; Kong, Xiao-Fei; Li, Qing-Shan; Zhang, Zheng-Zhi; Yuan, Yao-Feng; Xu, Feng-Bo","Dinuclear Ag(i) metallamacrocycles of bis-N-heterocyclic carbenes bridged by calixarene fragments: synthesis, structure and chemosensing behavior","CrystEngComm","2013","15","35","6948","","10.1039/c3ce40918j","","","0.71073","MoKα","","0.0465","0.0414","","","0.1159","0.1189","","","","","","1.047","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210409","10.2882","0.0005","19.9728","0.0011","35.485","0.002","90","","93.483","0.005","90","","7278.1","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H37.57 Br K0.81 O12.19 Ru S32 -","- C52 H37 Br K0.81 O12.19 Ru S32 -","- C208 H148 Br4 K3.24 O48.76 Ru4 S128 -","4","0.5","","Prokhorova, Tatiana G.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zverev, Vladimir N.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","The first molecular superconductor based on BEDT-TTF radical cation salt with paramagnetic tris(oxalato)ruthenate anion","CrystEngComm","2013","15","35","7048","","10.1039/c3ce40919h","","","0.71073","MoKα","","0.0558","0.0431","","","0.0914","0.0969","","","","","","1.02","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210410","10.3683","0.0004","19.6056","0.0009","36.0834","0.0013","90","","90","","90","","7334.9","0.5","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C53 H37.93 K0.69 N O12.31 Ru S32 -","- C53 H37 K0.69 N O12.31 Ru S32 -","- C212 H148 K2.76 N4 O49.24 Ru4 S128 -","4","0.5","","Prokhorova, Tatiana G.; Zorina, Leokadiya V.; Simonov, Sergey V.; Zverev, Vladimir N.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","The first molecular superconductor based on BEDT-TTF radical cation salt with paramagnetic tris(oxalato)ruthenate anion","CrystEngComm","2013","15","35","7048","","10.1039/c3ce40919h","","","0.71073","MoKα","","0.0794","0.0522","","","0.1103","0.1201","","","","","","1.018","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210411","11.0756","0.0005","11.6861","0.0004","17.838","0.001","75.754","0.003","77.852","0.002","69.903","0.003","2081.34","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H50 N22 Ni2 O42 U4 -","- C62 H50 N22 Ni2 O42 U4 -","- C62 H50 N22 Ni2 O42 U4 -","1","0.5","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0665","0.0325","","","0.0498","0.0549","","","","","","0.898","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210412","14.6158","0.0009","16.9169","0.0005","27.9857","0.0017","90","","102.458","0.003","90","","6756.7","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H48 Mn N12 O28 U6 -","- C54 H48 Mn N12 O28 U6 -","- C216 H192 Mn4 N48 O112 U24 -","4","0.5","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0872","0.0384","","","0.0488","0.0559","","","","","","0.87","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210413","8.2664","0.0002","24.604","0.0009","25.7372","0.001","90","","91.575","0.002","90","","5232.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H44 N6 Ni O25 U2 -","- C46 H42 N6 Ni O25 U2 -","- C184 H168 N24 Ni4 O100 U8 -","4","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0557","0.0308","","","0.0507","0.0543","","","","","","0.954","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210414","12.8461","0.0006","13.7347","0.0007","13.6634","0.0005","90","","115.429","0.003","90","","2177.18","0.18","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu N2 O14 U -","- C18 H18 Cu N2 O14 U -","- C72 H72 Cu4 N8 O56 U4 -","4","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.062","0.0368","","","0.076","0.0813","","","","","","0.988","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210415","7.1039","0.0002","12.1625","0.0007","22.2182","0.0014","103.229","0.003","92.916","0.004","100.199","0.004","1830.82","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H27 Cu N5 O21 U2 -","- C31 H23 Cu N5 O21 U2 -","- C62 H46 Cu2 N10 O42 U4 -","2","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0438","0.0302","","","0.0625","0.0654","","","","","","0.988","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210416","11.7697","0.0008","12.6971","0.001","15.9821","0.0007","86.772","0.005","79.231","0.005","63.746","0.004","2103.3","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 N4 Ni O19 U2 -","- C32 H28 N4 Ni O19 U2 -","- C64 H56 N8 Ni2 O38 U4 -","2","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.072","0.0393","","","0.0874","0.0944","","","","","","0.915","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210417","8.2402","0.0004","18.2164","0.0014","14.1658","0.0011","90","","91.122","0.004","90","","2126","0.3","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H32 Cu2 N6 O23 U2 -","- C34 H30 Cu2 N6 O23 U2 -","- C68 H60 Cu4 N12 O46 U4 -","2","1","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.061","0.0545","","","0.1444","0.1483","","","","","","1.051","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210418","13.7551","0.0009","9.6373","0.0004","24.9546","0.0013","90","","92.515","0.004","90","","3304.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Mn N4 O15 U2 -","- C28 H22 Mn N4 O15 U2 -","- C112 H88 Mn4 N16 O60 U8 -","4","0.5","","Thuéry, Pierre","Uranyl‒3d block metal ion heterometallic carboxylate complexes including additional chelating nitrogen donors","CrystEngComm","2013","15","33","6533","","10.1039/c3ce40941d","","","0.71073","MoKα","","0.0725","0.0474","","","0.1002","0.1077","","","","","","1.044","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210419","11.524","0.0011","12.878","0.0013","14.498","0.0014","107.331","0.001","107.397","0.001","94.717","0.001","1925","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Cu2 N12 O23 Si0.5 W6 -","- C20 H16 Cu2 N12 O23 Si0.5 W6 -","- C40 H32 Cu4 N24 O46 Si W12 -","2","1","","Shi, Zhen-yu; Zhang, Zhe-yu; Peng, Jun; Yu, Xia; Wang, Xiang","Assembly of copper‒tetrazole frameworks with role-changeable Keggin clusters: syntheses, structures, solvent-dependent luminescence and electrochemistry properties","CrystEngComm","2013","15","36","7199","","10.1039/c3ce41008k","","","0.71069","MoKα","","0.07","0.0477","","","0.102","0.1122","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210420","23.867","","18.177","","22.425","","90","","90","","90","","9728.65","","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C60 H56.5 Cu6.5 N36 O44 Si W12 -","- C60 H26 Cu6.5 N36 O44 Si W12 -","- C240 H104 Cu26 N144 O176 Si4 W48 -","4","1","","Shi, Zhen-yu; Zhang, Zhe-yu; Peng, Jun; Yu, Xia; Wang, Xiang","Assembly of copper‒tetrazole frameworks with role-changeable Keggin clusters: syntheses, structures, solvent-dependent luminescence and electrochemistry properties","CrystEngComm","2013","15","36","7199","","10.1039/c3ce41008k","","","0.71073","MoKα","","0.048","0.0424","","","0.0952","0.0979","","","","","","1.026","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210421","25.2998","0.0038","16.844","0.0027","7.88987","0.00081","90","","90","","90","","3362.3","0.8","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","fluorescein:acridine cocrystal","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.018","2.421","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210422","27.7697","0.0034","15.4238","0.002","7.98164","0.00085","90","","90","","90","","3418.7","0.7","293","","293","","","","","","","","","4","C m c 21","C 2c -2","36","fluorescein:phenantridine cocrystal","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.023","4.176","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210423","7.81238","0.00087","19.0241","0.0017","12.788","0.0014","90","","91.1378","0.0067","90","","1900.2","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","fluorescein:pyrazine cocrystal","","","- C24 H16 N2 O5 -","- C24 H16 N2 O5 -","- C96 H64 N8 O20 -","4","1","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","powder diffraction","","1.5418","CuKα","","","","","","","","","0.028","1.692","","","","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210424","8.6428","0.0003","19.627","0.0007","20.9268","0.0009","90","","98.748","0.004","90","","3508.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","1","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","","","1.54184","CuKα","","0.0573","0.0426","","","0.1066","0.1176","","","","","","1.026","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210425","27.6912","0.0012","15.3574","0.0009","7.8814","0.0004","90","","90","","90","","3351.7","0.3","120","2","120","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C46 H30 N2 O5 -","- C46 H30 N2 O5 -","- C184 H120 N8 O20 -","4","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","","","0.71073","MoKα","","0.0521","0.0383","","","0.0756","0.0808","","","","","","0.972","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210426","7.606","0.0004","11.1161","0.0009","12.0927","0.0008","115.965","0.007","93.139","0.005","92.811","0.006","914.8","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H36 N2 O12 -","- C46 H36 N2 O12 -","- C46 H36 N2 O12 -","1","0.5","","Bučar, Dejan-Krešimir; Filip, Stefan; Arhangelskis, Mihails; Lloyd, Gareth O.; Jones, William","Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals","CrystEngComm","2013","15","32","6289","","10.1039/c3ce41013g","","","0.71073","MoKα","","0.0721","0.0521","","","0.1379","0.1496","","","","","","1.055","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210427","8.7526","0.0008","12.8631","0.0011","14.0334","0.0014","67.419","0.009","86.643","0.008","74.314","0.008","1402.7","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N5 O7 -","- C12 H15 N5 O7 -","- C48 H60 N20 O28 -","4","2","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Simultaneously enhancing the solubility and permeability of acyclovir by crystal engineering approach","CrystEngComm","2013","15","33","6457","","10.1039/c3ce41017j","","","1.54178","CuKα","","0.0682","0.0505","","","0.1236","0.1367","","","","","","1.061","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210428","8.1849","0.001","8.8476","0.0009","11.6567","0.0012","70.21","0.009","86.985","0.009","80.948","0.009","784.39","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H19 N5 O7 -","- C13 H19 N5 O7 -","- C26 H38 N10 O14 -","2","1","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Simultaneously enhancing the solubility and permeability of acyclovir by crystal engineering approach","CrystEngComm","2013","15","33","6457","","10.1039/c3ce41017j","","","1.54178","CuKα","","0.0442","0.0366","","","0.0947","0.1011","","","","","","1.034","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210429","21.3178","0.0015","6.4895","0.0005","29.435","0.002","90","","103.906","0.008","90","","3952.7","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 N5 O11 -","- C14 H21 N5 O11 -","- C112 H168 N40 O88 -","8","1","","Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu","Simultaneously enhancing the solubility and permeability of acyclovir by crystal engineering approach","CrystEngComm","2013","15","33","6457","","10.1039/c3ce41017j","","","1.54178","CuKα","","0.0672","0.0471","","","0.123","0.1408","","","","","","0.981","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210430","15.4477","0.0008","15.7463","0.0008","6.4254","0.0003","90","","90","","90","","1562.94","0.13","120","2","120","2","","","","","","","","4","P n a 21","P 2c -2n","33","","KE14PCY13 4-HO-PhC(CN)=NOH, 2,3,5,6-Me4-pyridine-1-oxide","","- C16 H18 N4 O3 -","- C16 H18 N4 O3 -","- C64 H72 N16 O12 -","4","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","0.71073","MoKα","","0.0446","0.0384","","","0.1039","0.1095","","","","","","1.082","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210431","12.9863","0.0009","11.4938","0.0007","14.1061","0.0009","90","","105.555","0.002","90","","2028.4","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","KE14PCY20 4-HO-PhC(CN)=NOH, 1-[3-pyridylmethyl]-5,6-dimethylbenzimidazole","","- C23 H21 N5 O2 -","- C23 H21 N5 O2 -","- C92 H84 N20 O8 -","4","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","0.71073","MoKα","","0.0725","0.0532","","","0.1425","0.1558","","","","","","1.073","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210432","6.178","0.0003","16.1233","0.0009","16.2481","0.0009","85.088","0.002","87.986","0.003","81.153","0.002","1592.94","0.15","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","KEPCY17 4-HO-PhC(CN)=NOH, [1-(4-pyridylmethyl)-5,6-dimethylbenzimidazole]2","","- C38 H36 N8 O2 -","- C38 H36 N8 O2 -","- C76 H72 N16 O4 -","2","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","0.71073","MoKα","","0.0784","0.0569","","","0.1541","0.1714","","","","","","1.072","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210433","12.1479","0.0008","12.4551","0.0009","13.6598","0.001","90","","105.563","0.003","90","","1991","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N5 O2 -","- C23 H19 N5 O2 -","- C92 H76 N20 O8 -","4","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","1.54178","CuKα","","0.0936","0.0394","","","0.1298","0.1405","","","","","","1.087","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210434","5.5844","0.0004","12.341","0.0009","12.6218","0.001","69.286","0.004","89.334","0.005","78.144","0.005","794.5","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","KEPC11 4-HO-PhC(CN)=NOH, 4,4'-bipyridyl-1-oxide","","- C18 H14 N4 O3 -","- C18 H14 N4 O3 -","- C36 H28 N8 O6 -","2","1","","Aakeröy, Christer B.; Epa, Kanishka N.; Forbes, Safiyyah; Desper, John","Competing hydrogen-bond donors: phenols vs. cyanooximes","CrystEngComm","2013","15","30","5946","","10.1039/c3ce41023d","","","1.54178","CuKα","","0.0561","0.0466","","","0.1273","0.1372","","","","","","1.082","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210435","16.2099","0.0006","11.0498","0.0004","12.7896","0.0005","90","","103.183","0.002","90","","2230.45","0.15","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl N2 O S2 -","- C26 H23 Cl N2 O S2 -","- C104 H92 Cl4 N8 O4 S8 -","4","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.0495","0.035","","","0.0836","0.0916","","","","","","1.048","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210436","7.6912","0.0005","9.0394","0.0006","11.8022","0.0008","105.136","0.003","107.797","0.003","94.983","0.003","741.66","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 N2 O2 S -","- C18 H16 N2 O2 S -","- C36 H32 N4 O4 S2 -","2","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.0467","0.0364","","","0.1006","0.1081","","","","","","1.063","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210437","7.354","0.007","10.16","0.009","11.44","0.011","106.88","0.03","98.32","0.04","93.54","0.04","804.4","1.3","152","2","152","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 N O S2 -","- C21 H13 N O S2 -","- C42 H26 N2 O2 S4 -","2","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.0484","0.0371","","","0.0932","0.0998","","","","","","1.035","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210438","16.6265","0.0017","5.0888","0.0004","20.302","0.0015","90","","103.401","0.008","90","","1671","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H12 Cl N O S -","- C21 H12 Cl N O S -","- C84 H48 Cl4 N4 O4 S4 -","4","1","","Kumar, Abhinav; Hüch, Volker; Ram, Vishnu Ji","Partially reduced thiochromene based oxathiahelicenes: crystallographic, computational and Hirschfeld surface analyses","CrystEngComm","2013","15","35","7019","","10.1039/c3ce41078a","","","0.71073","MoKα","","0.1899","0.0589","","","0.1003","0.1357","","","","","","0.966","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210439","10.5666","0.0016","23.405","0.003","11.4006","0.0015","90","","101.661","0.002","90","","2761.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 N6 O4 Zn -","- C28 H30 N6 O4 Zn -","- C112 H120 N24 O16 Zn4 -","4","1","","Hou, Yuan-Feng; Yu, Yang; Yue, Ke-Fen; Wei, Qing; Liu, Yong-Liang; Zhou, Chun-Sheng; Wang, Yao-Yu","Two unique entangling ZnII/CdII coordination frameworks featuring multiform helical motifs based on long mixed ligands","CrystEngComm","2013","15","36","7161","","10.1039/c3ce41127c","","","0.71073","MoKα","","0.0714","0.0416","","","0.0988","0.1126","","","","","","1.03","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210440","11.9375","0.0013","11.9375","0.0013","17.2686","0.0018","90","","90","","120","","2131.2","0.4","296","2","296","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C84 H90 Cd3 N12 O12 S6 -","- C84 H90 Cd3 N12 O12 S6 -","- C84 H90 Cd3 N12 O12 S6 -","1","0.166667","","Hou, Yuan-Feng; Yu, Yang; Yue, Ke-Fen; Wei, Qing; Liu, Yong-Liang; Zhou, Chun-Sheng; Wang, Yao-Yu","Two unique entangling ZnII/CdII coordination frameworks featuring multiform helical motifs based on long mixed ligands","CrystEngComm","2013","15","36","7161","","10.1039/c3ce41127c","","","0.71073","MoKα","","0.0527","0.0379","","","0.0971","0.111","","","","","","0.905","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210441","8.5555","0.0003","6.8611","0.0003","12.8473","0.0005","90","","97.594","0.002","90","","747.52","0.05","110","2","110","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C13 H16 Co N2 O10 -","- C13 H16 Co N2 O10 -","- C26 H32 Co2 N4 O20 -","2","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0307","0.0262","","","0.0678","0.0708","","","","","","1.093","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210442","16.2119","0.0004","10.9173","0.0003","15.7225","0.0004","90","","90","","90","","2782.73","0.12","110","2","110","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H12 Cu N2 O8 -","- C13 H12 Cu N2 O8 -","- C104 H96 Cu8 N16 O64 -","8","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0444","0.0368","","","0.0922","0.0965","","","","","","1.014","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210443","8.0452","0.0002","12.6682","0.0004","18.8489","0.0006","90","","94.329","0.001","90","","1915.57","0.1","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 Cd N3 O8 -","- C17 H19 Cd N3 O8 -","- C68 H76 Cd4 N12 O32 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.034","0.0288","","","0.0696","0.0719","","","","","","1.009","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210444","7.9621","0.0002","12.726","0.0004","18.3006","0.0006","90","","90","","90","","1854.32","0.1","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cd N3 O8 -","- C17 H19 Cd N3 O8 -","- C68 H76 Cd4 N12 O32 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0305","0.0291","","","0.077","0.0781","","","","","","1.036","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210445","10.7873","0.0002","26.9072","0.0005","22.3486","0.0003","90","","101.173","0.001","90","","6363.87","0.19","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H41 Co4 N9 O27 -","- C54 H41 Co4 N9 O27 -","- C216 H164 Co16 N36 O108 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0394","0.0296","","","0.071","0.0739","","","","","","1.037","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210446","10.5259","0.0005","11.6385","0.0006","14.308","0.0006","105.079","0.002","103.924","0.002","100.717","0.002","1583.9","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Mn2 N4 O13 -","- C26 H18 Mn2 N4 O13 -","- C52 H36 Mn4 N8 O26 -","2","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0701","0.0657","","","0.1929","0.1952","","","","","","1.04","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210447","14.2941","0.0004","16.7256","0.0005","15.4016","0.0004","90","","115.904","0.002","90","","3312.22","0.17","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 Cd2 N5 O15.5 -","- C30 H29 Cd2 N5 O15.5 -","- C120 H116 Cd8 N20 O62 -","4","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","1D, 2D and 3D coordination polymers of 5,5′-methylenebis(oxy)dinicotinic acid with Co(ii), Mn(ii), Cu(ii) and Cd(ii) ions","CrystEngComm","2013","15","36","7257","","10.1039/c3ce41169a","","","0.71073","MoKα","","0.0775","0.0498","","","0.1157","0.1292","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210448","11.116","0","5.81","0","46.919","0.001","90","","90","","90","","3030.21","0.06","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H8 N2 Na O6 S -","- C13 H8 N2 Na O6 S -","- C104 H64 N16 Na8 O48 S8 -","8","1","","Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Pagano, Cinzia; Perioli, Luana; Viterbo, Davide; Boccaleri, Enrico; Paul, Geo; Milanesio, Marco","Structural characterization and thermal and chemical stability of bioactive molecule-hydrotalcite (LDH) nanocomposites.","Physical chemistry chemical physics : PCCP","2013","15","32","13418","13433","10.1039/c3cp51235e","","","0.71073","MoKα","","0.2403","0.1192","","","0.2176","0.2497","","","","","","1.066","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210449","15.4283","0.001","9.8446","0.0003","12.3063","0.0007","90","","109.738","0.007","90","","1759.33","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 N3 Na O3 S -","- C15 H20 N3 Na O3 S -","- C60 H80 N12 Na4 O12 S4 -","4","1","","Conterosito, Eleonora; Croce, Gianluca; Palin, Luca; Pagano, Cinzia; Perioli, Luana; Viterbo, Davide; Boccaleri, Enrico; Paul, Geo; Milanesio, Marco","Structural characterization and thermal and chemical stability of bioactive molecule-hydrotalcite (LDH) nanocomposites.","Physical chemistry chemical physics : PCCP","2013","15","32","13418","13433","10.1039/c3cp51235e","","","0.71073","MoKα","","0.0859","0.0564","","","0.1545","0.1828","","","","","","1.033","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210450","6.4063","0.001","8.1667","0.0013","23.311","0.004","90","","90","","90","","1219.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(HCaf)(HSO4)","Caffeinium Hydrogensulfate","","- C8 H12 N4 O6 S -","- C8 H12 N4 O6 S -","- C32 H48 N16 O24 S4 -","4","1","","Mottillo, Cristina; Lu, Yuneng; Pham, Minh-Hao; Cliffe, Matthew J.; Do, Trong-On; Friščić, Tomislav","Mineral neogenesis as an inspiration for mild, solvent-free synthesis of bulk microporous metal‒organic frameworks from metal (Zn, Co) oxides","Green Chemistry","2013","15","8","2121","","10.1039/c3gc40520f","","","0.71073","MoKα","","0.0712","0.043","","","0.0897","0.1006","","","","","","0.955","","","","has coordinates,has disorder","180435","2020-10-21","18:00:00",""
"7210451","7.3073","0.0003","7.1368","0.0003","15.6263","0.0007","90","","91.452","0.002","90","","814.66","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Cl N O2 -","- C8 H6 Cl N O2 -","- C32 H24 Cl4 N4 O8 -","4","1","","Deadman, Benjamin J.; Battilocchio, Claudio; Sliwinski, Eric; Ley, Steven V.","A prototype device for evaporation in batch and flow chemical processes","Green Chemistry","2013","15","8","2050","","10.1039/c3gc40967h","","","0.71073","MoKα","","0.0625","0.0541","","","0.1546","0.1594","","","","","","1.085","","","","has coordinates","180435","2020-10-21","18:00:00",""
"7210452","15.0238","0.0016","11.6122","0.001","20.9195","0.0019","90","","90","","90","","3649.6","0.6","150","","150","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H14 Cl3 N6 O P S3 -","- C9 H12 Cl3 N6 O P S3 -","- C72 H96 Cl24 N48 O8 P8 S24 -","8","1","","García-Álvarez, Rocío; Zablocka, Maria; Crochet, Pascale; Duhayon, Carine; Majoral, Jean-Pierre; Cadierno, Victorio","Thiazolyl-phosphine hydrochloride salts: effective auxiliary ligands for ruthenium-catalyzed nitrile hydration reactions and related amide bond forming processes in water","Green Chemistry","2013","15","9","2447","","10.1039/c3gc41201f","","","0.71073","MoKα","","0.0953","0.0588","","0.0941","0.0708","0.0708","","","","","","1.1169","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210558","9.1069","0.0012","10.5452","0.0013","13.5137","0.0017","100.441","0.001","102.85","0.001","102.922","0.001","1196.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 La2 O15 S3 -","- C18 H12 La2 O15 S3 -","- C36 H24 La4 O30 S6 -","2","1","","Li, Zhao-Hao; Zhang, Tian; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Three-dimensional pillared layered supramolecular networks comprising polymeric layers and tetrameric {H2O}4 pillars","CrystEngComm","2013","15","37","7423","","10.1039/c3ce40645h","","","0.71073","MoKα","","0.0197","0.0179","","","0.0446","0.0459","","","","","","1.001","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210559","9.0148","0.0015","10.4259","0.0018","13.458","0.002","100.259","0.002","102.113","0.002","103.114","0.002","1170.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 O15 Pr2 S3 -","- C18 H12 O15 Pr2 S3 -","- C36 H24 O30 Pr4 S6 -","2","1","","Li, Zhao-Hao; Zhang, Tian; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Three-dimensional pillared layered supramolecular networks comprising polymeric layers and tetrameric {H2O}4 pillars","CrystEngComm","2013","15","37","7423","","10.1039/c3ce40645h","","","0.71073","MoKα","","0.0237","0.0216","","","0.0554","0.0568","","","","","","1.059","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210560","9.0536","0.0011","10.4806","0.0012","13.4765","0.0016","100.386","0.001","102.395","0.001","103.042","0.001","1181","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Ce2 O15 S3 -","- C18 H12 Ce2 O15 S3 -","- C36 H24 Ce4 O30 S6 -","2","1","","Li, Zhao-Hao; Zhang, Tian; Xue, Li-Ping; Miao, Shao-Bin; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Three-dimensional pillared layered supramolecular networks comprising polymeric layers and tetrameric {H2O}4 pillars","CrystEngComm","2013","15","37","7423","","10.1039/c3ce40645h","","","0.71073","MoKα","","0.0229","0.021","","","0.0514","0.0526","","","","","","1.052","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210561","11.042","0.0007","42.906","0.001","15.604","0.003","90","","97.004","0.001","90","","7337.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C68 H64 N12 O22 Zn3 -","- C68 H48 N12 O14 Zn3 -","- C272 H192 N48 O56 Zn12 -","4","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.1055","0.0624","","","0.1658","0.182","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210562","16.6","0.0006","9.298","0.0006","43.166","0.003","90","","100.424","0.001","90","","6552.6","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H64 N12 O18 Zn3 -","- C68 H44 N12 O18 Zn3 -","- C272 H176 N48 O72 Zn12 -","4","0.5","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.1117","0.0531","","","0.1335","0.1721","","","","","","0.989","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210563","12.834","0.0012","16.313","0.0015","17.983","0.0017","73.818","0.001","82.768","0.001","67.562","0.001","3341.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H56 N12 O18 Zn3 -","- C68 H48 N12 O18 Zn3 -","- C136 H96 N24 O36 Zn6 -","2","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.0985","0.0525","","","0.1185","0.1396","","","","","","0.972","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210564","8.703","0.001","10.52","0.0012","11.84","0.0013","81.291","0.002","76.006","0.002","88.202","0.002","1039.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N2 O8 Zn -","- C22 H17 N2 O8 Zn -","- C44 H34 N4 O16 Zn2 -","2","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.0942","0.0543","","","0.1408","0.1795","","","","","","1.012","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210565","10.068","0.004","10.373","0.004","14.022","0.006","78.26","0.006","83.303","0.006","67.218","0.006","1320.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N4 O8 Zn2 -","- C28 H20 N4 O8 Zn2 -","- C56 H40 N8 O16 Zn4 -","2","1","","Chen, Lei; Zhang, Li; Li, Shun-Li; Qiu, Yong-Qing; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min","Self-assembly of metal‒organic frameworks based on N-donor ligand and flexible tricarboxylic acids with different angular characters","CrystEngComm","2013","15","40","8214","","10.1039/c3ce40910d","","","0.71069","MoKα","","0.1055","0.0671","","","0.1746","0.2118","","","","","","1.033","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210566","8.029","0.0002","9.8549","0.0003","14.3776","0.0004","90","","90","","90","","1137.63","0.05","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Ag N3 P S -","- C6 H12 Ag N3 P S -","- C24 H48 Ag4 N12 P4 S4 -","4","1","","Jaros, Sabina W.; Smoleński, Piotr; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Pombeiro, Armando J. L.; Kirillov, Alexander M.","New silver BioMOFs driven by 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTAS): synthesis, topological analysis and antimicrobial activity","CrystEngComm","2013","15","40","8060","","10.1039/c3ce40913a","","","0.71069","MoKα","","0.0294","0.0258","","","0.0548","0.0559","","","","","","1.012","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210567","9.5475","0.0003","11.44","0.0003","13.2092","0.0004","90","","109.974","0.001","90","","1355.97","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H32 Ag4 N6 O12 P2 S4 -","- C12 H32 Ag4 N6 O12 P2 S4 -","- C24 H64 Ag8 N12 O24 P4 S8 -","2","1","","Jaros, Sabina W.; Smoleński, Piotr; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Pombeiro, Armando J. L.; Kirillov, Alexander M.","New silver BioMOFs driven by 1,3,5-triaza-7-phosphaadamantane-7-sulfide (PTAS): synthesis, topological analysis and antimicrobial activity","CrystEngComm","2013","15","40","8060","","10.1039/c3ce40913a","","","0.71069","MoKα","","0.0161","0.016","","","0.0401","0.0402","","","","","","1.034","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210568","7.003","0.003","9.8","0.004","10.744","0.004","63.29","0.004","87.998","0.005","70.983","0.004","617.3","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H22 F6 N12 O3 Si Zn -","- C20 H22 F6 N12 O3 Si Zn -","- C20 H22 F6 N12 O3 Si Zn -","1","0.5","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.0848","0.0553","","","0.1223","0.1496","","","","","","1.053","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210569","7.555","0.0005","9.5468","0.0006","10.3006","0.0006","113.679","0.001","91.987","0.001","104.327","0.001","651.67","0.07","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Cd F6 N12 O4 Si -","- C20 H22 Cd F6 N12 O4 Si -","- C20 H22 Cd F6 N12 O4 Si -","1","0.5","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.0398","0.0365","","","0.0788","0.0815","","","","","","1.08","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210570","10.135","0.003","13.562","0.004","20.655","0.006","90","","90","","90","","2839","1.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H10 Br2 N6 O Zn -","- C10 H10 Br2 N6 O Zn -","- C80 H80 Br16 N48 O8 Zn8 -","8","1","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.1206","0.0717","","","0.1684","0.1937","","","","","","1.067","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210571","8.905","0.003","11.572","0.004","14.981","0.004","90","","120.87","0.014","90","","1325.1","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Cd N14 O2 S2 -","- C22 H20 Cd N14 O2 S2 -","- C44 H40 Cd2 N28 O4 S4 -","2","0.5","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.0747","0.0493","","","0.1081","0.1212","","","","","","1.063","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210572","14.287","0.011","22.046","0.016","8.268","0.006","90","","98.563","0.01","90","","2575","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 B2 Cd F8 N12 -","- C20 H16 B2 Cd F8 N12 -","- C80 H64 B8 Cd4 F32 N48 -","4","1","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.1698","0.091","","","0.2301","0.2697","","","","","","1.061","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210573","14.327","0.003","22.105","0.005","8.3039","0.0019","90","","98.79","0.003","90","","2598.9","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cd Cl2 N12 O8 -","- C20 H16 Cd Cl2 N12 O8 -","- C80 H64 Cd4 Cl8 N48 O32 -","4","1","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.1165","0.0573","","","0.1195","0.1446","","","","","","1.011","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210574","20.5262","0.0016","20.5262","0.0016","20.152","0.003","90","","90","","120","","7353","1.4","173","2","173","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C60 H48 Cd3 N36 -","- C60 H48 Cd3 N36 -","- C180 H144 Cd9 N108 -","3","0.0833333","","Yang, Pan; Wu, Xiang Xia; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Hydrothermal synthesis and characterization of a series of luminescent Zn(ii) and Cd(ii) coordination polymers with the new versatile multidentate ligand 1,3-di-(1,2,4-triazol-4-yl)benzene","CrystEngComm","2013","15","40","8097","","10.1039/c3ce40946e","","","0.71073","MoKα","","0.049","0.0428","","","0.1254","0.1285","","","","","","1.082","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210575","7.2608","0.0015","11.973","0.002","9.6567","0.0019","90","","98.88","0.03","90","","829.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Cl N O2 -","- C9 H6 Cl N O2 -","- C36 H24 Cl4 N4 O8 -","4","1","","Luo, Yang-Hui; Sun, Bai-Wang","An investigation into the substituent effect of halogen atoms on the crystal structures of indole-3-carboxylic acid (ICA)","CrystEngComm","2013","15","37","7490","","10.1039/c3ce40952j","","","0.71073","MoKα","","0.1783","0.1691","","","0.3918","0.3962","","","","","","1.187","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210576","12.025","0.005","19.464","0.008","15.323","0.005","90","","126.97","0.02","90","","2865","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Mo8 N16 O26 -","- C32 H52 Mo8 N16 O26 -","- C64 H104 Mo16 N32 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.025","0.0223","","","0.0557","0.0568","","","","","","1.06","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210577","17.379","0.003","10.932","0.002","24.384","0.004","90","","134.332","0.008","90","","3313.7","1.1","","","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 Mo8 N20 O26 -","- C40 H64 Mo8 N20 O26 -","- C80 H128 Mo16 N40 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.1302","0.1255","","","","0.3351","","","","","","1.183","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210578","11.3366","0.0013","11.3529","0.0013","11.3639","0.0014","72.391","0.002","71.058","0.002","80.06","0.002","1314","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H52 Mo8 N12 O26 -","- C30 H52 Mo8 N12 O26 -","- C30 H52 Mo8 N12 O26 -","1","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0276","0.0234","","","0.0576","0.0604","","","","","","1.027","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210579","12.1992","0.0004","23.5887","0.0006","11.8092","0.0004","90","","109.758","0.003","90","","3198.19","0.18","293","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H68 Mo8 N16 O26 -","- C40 H52 Mo8 N16 O26 -","- C80 H104 Mo16 N32 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.053","0.0402","","","0.1025","0.1104","","","","","","1.015","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210580","10.1921","0.0004","21.5036","0.0009","15.3277","0.0005","90","","120.334","0.002","90","","2899.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H64 Mo8 N12 O26 -","- C36 H60 Mo8 N12 O26 -","- C72 H120 Mo16 N24 O52 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.027","0.0219","","","0.0728","0.1049","","","","","","1.232","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210581","12.5903","0.0018","11.8542","0.0016","24.806","0.003","90","","100.449","0.002","90","","3640.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H88 Mo8 N16 O28 -","- C48 H60 Mo8 N16 O28 -","- C96 H120 Mo16 N32 O56 -","2","0.5","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.15","0.085","","","0.2152","0.268","","","","","","1.015","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210582","15.878","0.003","10.1503","0.0019","16.704","0.003","90","","115.779","0.003","90","","2424.2","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H96 Mo9 N32 O32 S3 -","- C64 H96 Mo8.996 N32 O32 S3.004 -","- C64 H96 Mo8.996 N32 O32 S3.004 -","1","0.25","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.115","0.0734","","","0.1772","0.2803","","","","","","1.231","","","","has coordinates,has disorder","287939","2023-12-01","16:52:17",""
"7210583","11.6102","0.0009","11.6102","0.0009","19.4306","0.0014","90","","90","","120","","2268.3","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C12 H18 Mo N6 O3 -","- C12 H18 Mo N6 O3 -","- C72 H108 Mo6 N36 O18 -","6","0.333333","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0442","0.038","","","0.0663","0.0706","","","","","","1.119","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210584","9.6874","0.0007","18.8238","0.0014","10.3652","0.0006","90","","102.994","0.007","90","","1841.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H36 Mo3 N12 O9 -","- C30 H36 Mo3 N12 O9 -","- C60 H72 Mo6 N24 O18 -","2","1","","Chen, Baokuan; Lin, Zhengguo; Wang, Bo; Feng, Xiao; Fan, Linyuan; Yang, Song; Huang, Xianqiang; Hu, Changwen","A new synthetic approach to functionalize oxomolybdenum complexes","CrystEngComm","2013","15","37","7410","","10.1039/c3ce40994e","","","0.71073","MoKα","","0.0973","0.0599","","","0.078","0.0867","","","","","","1","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210585","11.3955","0.0004","12.1907","0.0005","12.5537","0.0005","65.085","0.004","74.281","0.003","75.437","0.003","1503.55","0.11","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H67 Cu2 N8 O56 Si Tb W11 -","- C8 H32 Cu2 N8 O56 Si Tb W11 -","- C8 H32 Cu2 N8 O56 Si Tb W11 -","1","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.0733","0.0702","","","0.186","0.1881","","","","","","1.03","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210586","11.4202","0.0005","12.2341","0.0006","12.6593","0.0007","64.764","0.005","73.918","0.004","75.541","0.004","1519.57","0.15","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C8 H51 Cu2 Eu Ge N8 O48 W11 -","- C8 H32 Cu2 Eu Ge N8 O48 W11 -","- C8 H32 Cu2 Eu Ge N8 O48 W11 -","1","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.067","0.0607","","","0.158","0.1634","","","","","","1.089","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210587","46.988","0.003","12.2367","0.0003","23.1895","0.0006","90","","104.813","0.004","90","","12890.3","1","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C14 H72 Cu3 Ge N12 O51.5 Tb W11 -","- C14 H51 Cu3 Ge N12 O51.5 Tb W11 -","- C112 H408 Cu24 Ge8 N96 O412 Tb8 W88 -","8","1","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.0986","0.0717","","","0.1811","0.2014","","","","","","1.035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210588","41.5173","0.0015","12.1282","0.0004","23.1543","0.001","90","","90.93","0.004","90","","11657.4","0.8","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C20 H102 Cu4 N16 Na2 O98 P2 Sm2 W22 -","- C20 H66 Cu4 N16 Na2 O98 P2 Sm2 W22 -","- C80 H264 Cu16 N64 Na8 O392 P8 Sm8 W88 -","4","0.5","","Zhao, Hai-Yan; Zhao, Jun-Wei; Yang, Bai-Feng; He, Huan; Yang, Guo-Yu","Organic‒inorganic hybrids based on monovacant Keggin-type polyoxotungstates and 3d‒4f heterometals","CrystEngComm","2013","15","40","8186","","10.1039/c3ce41007b","","","0.71073","MoKα","","0.0928","0.0763","","","0.1945","0.2077","","","","","","1.023","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210589","5.1601","0.0002","7.6565","0.0003","9.1728","0.0003","74.888","0.003","84.185","0.003","71.767","0.002","332.23","0.02","296","","296","","","","","","","","see text","5","P -1","-P 1","2","","","","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","1","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Bandeira, Nuno A. G.; Calhorda, Maria José; Kozlevčar, Bojan; Jagličić, Zvonko; Popović, Zora","Can self-assembly of copper(ii) picolinamide building blocks be controlled?","CrystEngComm","2013","15","40","8074","","10.1039/c3ce41011k","","x-ray","0.71073","MoKα","","0.0355","0.032","","","0.0968","0.1003","","","","","","1.053","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210590","24.077","0.0005","6.552","0.0001","19.6808","0.0005","90","","102.133","0.002","90","","3035.34","0.11","296","","296","","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 Cu2 N8 O12 -","- C24 H22 Cl2 Cu2 N8 O12 -","- C96 H88 Cl8 Cu8 N32 O48 -","4","0.5","","Đaković, Marijana; Vila-Viçosa, Diogo; Bandeira, Nuno A. G.; Calhorda, Maria José; Kozlevčar, Bojan; Jagličić, Zvonko; Popović, Zora","Can self-assembly of copper(ii) picolinamide building blocks be controlled?","CrystEngComm","2013","15","40","8074","","10.1039/c3ce41011k","","x-ray","0.71073","MoKα","","0.0397","0.0288","","","0.0742","0.0764","","","","","","0.944","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210591","14.789","0.002","14.789","0.002","17.044","0.003","90","","90","","90","","3727.8","1","153","2","153","2","","","","","","","","5","P -4","P -4","81","complex1","","","- C65 H67 N11 O22 Zn4 -","- C65 H67 N11 O22 Zn4 -","- C130 H134 N22 O44 Zn8 -","2","0.5","","Tang, Bei-bei; Ma, Heng; Li, Guan-zheng; Wang, Yue-bing; Anwar, Gulinazi; Shi, Rufei; Li, Hui","Synthesis, crystal structures and luminescent properties of tetranuclear Zn molecular clusters with aroylhydrazone ligand","CrystEngComm","2013","15","40","8069","","10.1039/c3ce41034j","","","0.71073","MoKα","","0.0848","0.0641","","","0.1685","0.1828","","","","","","1.089","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210592","10.508","0.002","10.684","0.002","12.276","0.003","112.1","0.03","104.75","0.03","90.29","0.03","1227","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","complex2","","","- C44 H54 N6 O20 Zn4 -","- C44 H54 N6 O20 Zn4 -","- C44 H54 N6 O20 Zn4 -","1","0.5","","Tang, Bei-bei; Ma, Heng; Li, Guan-zheng; Wang, Yue-bing; Anwar, Gulinazi; Shi, Rufei; Li, Hui","Synthesis, crystal structures and luminescent properties of tetranuclear Zn molecular clusters with aroylhydrazone ligand","CrystEngComm","2013","15","40","8069","","10.1039/c3ce41034j","","","0.71073","MoKα","","0.0351","0.0263","","","0.063","0.0657","","","","","","0.981","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210593","10.6882","0.0015","10.6882","0.0015","16.036","0.003","90","","90","","90","","1831.9","0.5","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H10 Cd F2 N10 O2 -","- C16 H10 Cd F2 N10 O2 -","- C64 H40 Cd4 F8 N40 O8 -","4","0.5","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0229","0.0228","","","0.0488","0.0489","","","","","","1.132","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210594","18.118","0.003","18.118","0.003","17.507","0.003","90","","90","","120","","4976.9","1.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H30 Cd3 N36 O18 -","- C48 H30 Cd3 N36 O18 -","- C144 H90 Cd9 N108 O54 -","3","0.166667","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0446","0.0435","","","0.0765","0.0769","","","","","","1.304","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210595","10.877","0.002","10.898","0.002","14.101","0.003","90","","90","","90","","1671.5","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 Cd N10 O2 S2 -","- C12 H8 Cd N10 O2 S2 -","- C48 H32 Cd4 N40 O8 S8 -","4","1","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.021","0.0209","","","0.0541","0.0542","","","","","","1.097","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210596","10.5749","0.0015","10.5749","0.0015","16.256","0.003","90","","90","","90","","1817.9","0.5","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C14 H10 Cd N12 O2 -","- C14.04 H10 Cd N12.008 O2 -","- C56.16 H40 Cd4 N48.032 O8 -","4","0.5","","Liao, Jian-Zhen; Chen, Da-Chi; Li, Fang; Chen, Yong; Zhuang, Nai-Feng; Lin, Mei-Jin; Huang, Chang-Cang","From achiral tetrazolate-based tectons to chiral coordination networks: effects of substituents on the structures and NLO properties","CrystEngComm","2013","15","40","8180","","10.1039/c3ce41037d","","","0.71073","MoKα","","0.0581","0.0479","","","0.1112","0.1159","","","","","","1.066","","","","has coordinates,has disorder","180436","2020-10-21","18:00:00",""
"7210597","12.6283","0.0013","14.9622","0.0017","18.9869","0.0016","90","","123.236","0.005","90","","3000.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Mn2 N2 O11 -","- C32 H30 Mn2 N2 O11 -","- C128 H120 Mn8 N8 O44 -","4","1","","Zhou, Xiang; Liu, Ping; Huang, Wen-Huan; Kang, Meng; Wang, Yao-Yu; Shi, Qi-Zhen","Solvents influence on sizes of channels in three fry topological Mn(ii)-MOFs based on metal‒carboxylate chains: syntheses, structures and magnetic properties","CrystEngComm","2013","15","40","8125","","10.1039/c3ce41120f","","","0.71073","MoKα","","0.1039","0.0608","","","0.1682","0.2031","","","","","","1.083","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210598","12.646","0.003","14.834","0.004","18.979","0.003","90","","123.145","0.011","90","","2981","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Mn2 N2 O11 -","- C30 H30 Mn2 N2 O11 -","- C120 H120 Mn8 N8 O44 -","4","1","","Zhou, Xiang; Liu, Ping; Huang, Wen-Huan; Kang, Meng; Wang, Yao-Yu; Shi, Qi-Zhen","Solvents influence on sizes of channels in three fry topological Mn(ii)-MOFs based on metal‒carboxylate chains: syntheses, structures and magnetic properties","CrystEngComm","2013","15","40","8125","","10.1039/c3ce41120f","","","0.71073","MoKα","","0.0893","0.0568","","","0.1839","0.2621","","","","","","1.045","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210599","12.463","0.002","7.4574","0.0013","29.451","0.006","90","","96.324","0.003","90","","2720.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Mn2 N2 O10 -","- C28 H24 Mn2 N2 O10 -","- C112 H96 Mn8 N8 O40 -","4","1","","Zhou, Xiang; Liu, Ping; Huang, Wen-Huan; Kang, Meng; Wang, Yao-Yu; Shi, Qi-Zhen","Solvents influence on sizes of channels in three fry topological Mn(ii)-MOFs based on metal‒carboxylate chains: syntheses, structures and magnetic properties","CrystEngComm","2013","15","40","8125","","10.1039/c3ce41120f","","","0.71073","MoKα","","0.0825","0.0449","","","0.1221","0.1705","","","","","","1.017","","","","has coordinates","180436","2020-10-21","18:00:00",""
"7210600","10.122","0.002","11.522","0.003","12.223","0.003","67.343","0.004","88.969","0.005","71.665","0.004","1240","0.5","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 N12 O20 Zn2 -","- C38 H46.4 N12 O20 Zn2 -","- C38 H46.4 N12 O20 Zn2 -","1","0.5","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.1178","0.0838","","","0.1985","0.2129","","","","","","1.093","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210601","10.1946","0.0017","17.174","0.003","22.85","0.004","90","","90.227","0.004","90","","4000.6","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H34 N12 O16 Zn3 -","- C32 H24 N12 O16 Zn3 -","- C128 H96 N48 O64 Zn12 -","4","0.5","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.0693","0.0564","","","0.1343","0.1411","","","","","","1.016","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210602","10.168","0.003","10.872","0.003","12.335","0.003","96.229","0.004","111.668","0.004","107.805","0.004","1168.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Cd N6 O8 -","- C19 H20 Cd N6 O8 -","- C38 H40 Cd2 N12 O16 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.047","0.0406","","","0.0972","0.1017","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210603","9.5581","0.0004","10.3024","0.0005","11.8449","0.0005","83.516","0.004","70.759","0.004","69.978","0.004","1034.67","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 N6 O6 Zn -","- C21 H16 N6 O6 Zn -","- C42 H32 N12 O12 Zn2 -","2","1","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.0362","0.031","","","0.071","0.0733","","","","","","1.052","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210604","9.341","0.0004","12.5779","0.0006","14.0193","0.0005","103.842","0.004","105.081","0.003","99.784","0.004","1496.11","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H46 Cd N12 O24 -","- C60 H46 Cd N12 O24 -","- C60 H46 Cd N12 O24 -","1","0.5","","Luo, Yu-Hui; Yue, Feng-Xia; Yu, Xiao-Yang; Gu, Ling-Ling; Zhang, Hong; Chen, Xin","A series of entangled ZnII/CdII coordination polymers constructed from 1,3,5-benzenetricarboxylate acid and flexible triazole ligands","CrystEngComm","2013","15","40","8116","","10.1039/c3ce41157e","","","0.71073","MoKα","","0.0345","0.0295","","","0.0658","0.0687","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7210605","11.364","0.005","6.636","0.003","12.345","0.005","90","","106.424","0.004","90","","893","0.7","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H20 F3 N O3 -","- C18 H20 F3 N O3 -","- C36 H40 F6 N2 O6 -","2","1","","Ichikawa, Akio; Ono, Hiroshi; Mikata, Yuji","Crystal structures of Mosher's salt and ester elucidated by X-ray crystallography","CrystEngComm","2013","15","40","8088","","10.1039/c3ce41160e","","","0.7107","MoKα","","","0.0371","","","","0.0896","","","","","","1.105","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210606","50.5752","0.0014","50.5752","0.0014","12.5528","0.0002","90","","90","","120","","27806.5","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C47 H78 Cl N25 O27 -","- C47 H52.39 Cl N25 O26.9893 -","- C846 H943.02 Cl18 N450 O485.808 -","18","1","","Danylyuk, Oksana; Fedin, Vladimir P.; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with isoprenaline: the effect of the metal ion on the crystallization pathway and supramolecular architecture","CrystEngComm","2013","15","37","7414","","10.1039/c3ce41236a","","","1.54184","CuKα","","0.0836","0.0722","","","0.196","0.2047","","","","","","1.039","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210607","18.1241","0.0003","16.4081","0.0002","21.0869","0.0003","90","","98.917","0.001","90","","6195.08","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H78 Cl2 Mg0.5 N25 O27 -","- C47 H54 Cl2 Mg0.5 N25 O26.732 -","- C188 H216 Cl8 Mg2 N100 O106.928 -","4","1","","Danylyuk, Oksana; Fedin, Vladimir P.; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with isoprenaline: the effect of the metal ion on the crystallization pathway and supramolecular architecture","CrystEngComm","2013","15","37","7414","","10.1039/c3ce41236a","","","1.54184","CuKα","","0.0743","0.0676","","","0.1934","0.201","","","","","","1.045","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210608","22.1854","0.0002","15.9734","0.0002","22.9981","0.0003","90","","105.02","0.0011","90","","7871.53","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H214 Ca2 Cl4 N50 O83 -","- C94 H108 Ca2 Cl4 N50 O83.038 -","- C188 H216 Ca4 Cl8 N100 O166.076 -","2","0.5","","Danylyuk, Oksana; Fedin, Vladimir P.; Sashuk, Volodymyr","Host‒guest complexes of cucurbit[6]uril with isoprenaline: the effect of the metal ion on the crystallization pathway and supramolecular architecture","CrystEngComm","2013","15","37","7414","","10.1039/c3ce41236a","","","1.54184","CuKα","","0.0934","0.0859","","","0.2439","0.2505","","","","","","1.012","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210609","12.8817","0.0008","14.0348","0.0008","14.256","0.0008","63.351","0.001","71.012","0.001","76.078","0.001","2164.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Al F6 I3 N3 O7 -","- C39 H32 Al F6 I3 N3 O7 -","- C78 H64 Al2 F12 I6 N6 O14 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione ‒ a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.042","0.036","","","","0.073","","","","","","0.905","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210610","7.142","0.006","7.388","0.006","14.672","0.013","81.132","0.015","78.539","0.015","62.6","0.012","671.9","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","HacacPy-TFDIB","","","- C13 H11 F2 I N O2 -","- C13 H11 F2 I N O2 -","- C26 H22 F4 I2 N2 O4 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione – a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.0811","0.055","","","0.1243","0.135","","","","","","0.955","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210611","7.633","0.0004","16.4167","0.0008","18.6385","0.0009","113.341","0.0006","98.4034","0.0007","95.2702","0.0007","2092.38","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Fe(acacPy)3 - TFDIB","","","- C37 H31 Cl3 F4 Fe I2 N3 O6 -","- C37 H31 Cl3 F4 Fe I2 N3 O6 -","- C74 H62 Cl6 F8 Fe2 I4 N6 O12 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione – a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.0431","0.0336","","","0.0799","0.0856","","","","","","1.046","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210612","12.8817","0.0008","14.0348","0.0008","14.256","0.0008","63.3512","0.0008","71.0117","0.0008","76.0783","0.0008","2164.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H32 Al F6 I3 N3 O7 -","- C39 H32 Al F6 I3 N3 O7 -","- C78 H64 Al2 F12 I6 N6 O14 -","2","1","","Merkens, Carina; Pan, Fangfang; Englert, Ulli","3-(4-Pyridyl)-2,4-pentanedione ‒ a bridge between coordinative, halogen, and hydrogen bonds","CrystEngComm","2013","15","40","8153","","10.1039/c3ce41306c","","","0.71073","MoKα","","0.0978","0.0542","","","0.1022","0.1175","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210613","5.8451","0.0003","7.7034","0.0004","34.6478","0.0016","90","","91.116","0.002","90","","1559.8","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N3 O2 S -","- C17 H16 N3 O2 S -","- C68 H64 N12 O8 S4 -","4","1","","Martins, Inês; Martins, Marta; Fernandes, Auguste; André, Vânia; Duarte, M. Teresa","An insight into dapsone co-crystals: sulfones as participants in supramolecular interactions","CrystEngComm","2013","15","40","8173","","10.1039/c3ce41323c","","","0.71073","MoKα","","0.0689","0.0498","","","0.1236","0.1315","","","","","","1.056","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210614","8.27","0.0006","37.058","0.003","5.9595","0.0004","90","","99.089","0.004","90","","1803.5","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N3 O3 S -","- C18 H23 N3 O3 S -","- C72 H92 N12 O12 S4 -","4","1","","Martins, Inês; Martins, Marta; Fernandes, Auguste; André, Vânia; Duarte, M. Teresa","An insight into dapsone co-crystals: sulfones as participants in supramolecular interactions","CrystEngComm","2013","15","40","8173","","10.1039/c3ce41323c","","","0.71073","MoKα","","0.1363","0.0581","","","0.1003","0.1167","","","","","","0.951","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210615","7.0582","0.0013","17.577","0.003","8.5676","0.0016","90","","101.257","0.002","90","","1042.5","0.3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0714","0.0537","","","0.1209","0.1299","","","","","","1.198","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210616","14.032","0.008","19.114","0.01","4.625","0.003","90","","90","","90","","1240.5","1.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H14 N4 O2 -","- C11 H14 N4 O2 -","- C44 H56 N16 O8 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0986","0.0469","","","0.1037","0.1272","","","","","","1.011","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210617","13.554","0.002","21.511","0.003","4.517","0.0007","90","","90","","90","","1317","0.3","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H16 N4 O3 -","- C11 H16 N4 O3 -","- C44 H64 N16 O12 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Wang, Jin-Hua; Wan, Wen-Zhu; Qin, Tin-Xiao; Wang, Yong-Qiang; Mou, Kai-Li; Li, Tian-Duo; Ma, Lu-Fang","Dynamic one-dimensional water in a nonporous organic solid with optics response","CrystEngComm","2013","15","37","7430","","10.1039/c3ce41340c","","","0.71073","MoKα","","0.0561","0.0381","","","0.1036","0.118","","","","","","0.829","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210618","32.702","0.003","32.702","0.003","32.702","0.003","90","","90","","90","","34972","6","293","2","293","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C60 H48 N30 O18 Zn3 -","- C60 H48 N30 O18 Zn3 -","- C960 H768 N480 O288 Zn48 -","16","0.0833333","","Xue, Zhen-Zhen; Sheng, Tian-Lu; Zhu, Qi-Long; Yuan, Da-Qiang; Wang, Yan-Long; Tan, Chun-Hong; Hu, Sheng-Min; Wen, Yue-Hong; Wang, Yong; Fu, Rui-Biao; Wu, Xin-Tao","Two cationic metal‒organic frameworks featuring different cage-to-cage connections: syntheses, crystal structures, photoluminescence and gas sorption properties","CrystEngComm","2013","15","40","8139","","10.1039/c3ce41364k","","","0.71073","MoKα","","0.0867","0.0862","","","0.2419","0.2426","","","","","","1.068","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210619","21.703","0.003","20.062","0.003","22.121","0.003","90","","108.799","0.002","90","","9118","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H36 Cl4 N18 O16 Zn2 -","- C45 H36 Cl4 N18 O16 Zn2 -","- C180 H144 Cl16 N72 O64 Zn8 -","4","1","","Xue, Zhen-Zhen; Sheng, Tian-Lu; Zhu, Qi-Long; Yuan, Da-Qiang; Wang, Yan-Long; Tan, Chun-Hong; Hu, Sheng-Min; Wen, Yue-Hong; Wang, Yong; Fu, Rui-Biao; Wu, Xin-Tao","Two cationic metal‒organic frameworks featuring different cage-to-cage connections: syntheses, crystal structures, photoluminescence and gas sorption properties","CrystEngComm","2013","15","40","8139","","10.1039/c3ce41364k","","","0.71073","MoKα","","0.0549","0.0488","","","0.1425","0.1481","","","","","","0.976","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210620","13.4896","0.0014","13.4896","0.0014","6.7343","0.0018","90","","90","","90","","1225.4","0.4","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 P S4 -","- C28 H16 F6 P S4 -","- C56 H32 F12 P2 S8 -","2","0.25","","Kadoya, Tomofumi; Ashizawa, Minoru; Higashino, Toshiki; Kawamoto, Tadashi; Kumeta, Shohei; Matsumoto, Hidetoshi; Mori, Takehiko","A highly conducting organic metal derived from an organic-transistor material: benzothienobenzothiophene.","Physical chemistry chemical physics : PCCP","2013","15","41","17818","17822","10.1039/c3cp52881b","","","0.71069","MoKα","","","0.0392","","","","0.1368","","","","","","0.854","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210621","13.407","0.005","13.407","0.005","6.638","0.006","90","","90","","90","","1193.2","1.2","298","","298","","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C28 H16 F6 P S4 -","- C28 H16 F6 P S4 -","- C56 H32 F12 P2 S8 -","2","0.25","","Kadoya, Tomofumi; Ashizawa, Minoru; Higashino, Toshiki; Kawamoto, Tadashi; Kumeta, Shohei; Matsumoto, Hidetoshi; Mori, Takehiko","A highly conducting organic metal derived from an organic-transistor material: benzothienobenzothiophene.","Physical chemistry chemical physics : PCCP","2013","15","41","17818","17822","10.1039/c3cp52881b","","","0.71069","MoKα","","","0.0438","","","","0.1291","","","","","","0.951","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210622","10.118","0.003","13.083","0.003","16.308","0.005","79.427","0.011","89.959","0.013","69.619","0.009","1984.6","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H10 N4 O S2 -","- C73 H10 N4 O S2 -","- C146 H20 N8 O2 S4 -","2","1","","Yang, Pingao; Chen, Shan; Liu, Yu; Xiao, Zuo; Ding, Liming","A pyridine-functionalized pyrazolinofullerene used as a buffer layer in polymer solar cells.","Physical chemistry chemical physics : PCCP","2013","15","40","17076","17078","10.1039/c3cp53426j","","","0.71073","MoKα","","0.1351","0.1241","","","0.315","0.3271","","","","","","1.099","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210623","13.1218","0.001","20.9009","0.0017","20.6305","0.0016","90","","90","","90","","5658.1","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H22 Cd N6 O5 -","- C32 H22 Cd N6 O5 -","- C256 H176 Cd8 N48 O40 -","8","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0605","0.0398","","","0.0832","0.0909","","","","","","1.075","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210624","8.6115","0.0007","13.5673","0.0011","13.2854","0.0011","90","","106.616","0.001","90","","1487.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cd N3 O4 -","- C17 H10 Cd N3 O4 -","- C68 H40 Cd4 N12 O16 -","4","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0268","0.0241","","","0.06","0.0613","","","","","","1.055","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210625","19.926","0.007","22.305","0.008","11.721","0.004","90","","116.127","0.004","90","","4677","3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C17 H10 N3 O4.5 Zn -","- C17 H10 N3 O4.505 Zn -","- C136 H80 N24 O36.04 Zn8 -","8","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0649","0.0566","","","0.1856","0.1943","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210626","7.8497","0.0007","14.0717","0.0013","13.8997","0.0011","90","","109.381","0.004","90","","1448.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cu N3 O4 -","- C17 H10 Cu N3 O4 -","- C68 H40 Cu4 N12 O16 -","4","1","","Yuan, Fei; Xie, Juan; Hu, Huai-Ming; Yuan, Chun-Mei; Xu, Bing; Yang, Meng-Lin; Dong, Fa-Xin; Xue, Gang-Lin","Effect of pH/metal ion on the structure of metal‒organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine","CrystEngComm","2013","15","7","1460","","10.1039/c2ce26171e","","","0.71073","MoKα","","0.0521","0.0421","","","0.1019","0.1078","","","","","","1.059","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210627","7.409","0.005","9.176","0.005","15.771","0.005","96.032","0.005","94.122","0.005","109.011","0.005","1001.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Mn N2 O5 -","- C19.95 H19.85 Mn N2 O4.99 -","- C39.9 H39.7 Mn2 N4 O9.98 -","2","1","","Kar, Paramita; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Formation of two drastically different MOFs based on Mn(ii)‒benzoate and pyrazine with a change in seasonal temperature: structural analysis and magnetic study","CrystEngComm","2013","15","2","400","","10.1039/c2ce26258d","","","0.71073","MoKα","","0.0715","0.0646","","","0.2098","0.2193","","","","","","1.075","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210628","15.997","0.005","15.389","0.005","28.622","0.005","90","0.005","95.335","0.005","90","0.005","7016","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C74 H58 Mn5 N2 O22 -","- C74 H58 Mn5 N2 O22 -","- C296 H232 Mn20 N8 O88 -","4","0.5","","Kar, Paramita; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Formation of two drastically different MOFs based on Mn(ii)‒benzoate and pyrazine with a change in seasonal temperature: structural analysis and magnetic study","CrystEngComm","2013","15","2","400","","10.1039/c2ce26258d","","","0.71073","MoKα","","0.0681","0.0494","","","0.1458","0.155","","","","","","1.131","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210629","10.614","0.002","12.316","0.003","20.809","0.004","90","","104.34","0.03","90","","2635.4","1","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 La O15 P4 -","- C20 H23 La O15 P4 -","- C80 H92 La4 O60 P16 -","4","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0277","0.0193","","","0.0483","0.0543","","","","","","1.009","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210630","22.492","0.003","8.066","0.001","15.534","0.002","90","","91.5","0.01","90","","2817.2","0.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H16 O8 P2 -","- C11 H16 O8 P2 -","- C88 H128 O64 P16 -","8","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0434","0.0275","","","0.0648","0.0759","","","","","","1.024","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210631","16.2835","0.0005","7.8798","0.0002","19.1588","0.0005","90","","90","","90","","2458.28","0.12","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H12 O6 P2 -","- C11 H12 O6 P2 -","- C88 H96 O48 P16 -","8","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0973","0.0447","","","0.1058","0.1271","","","","","","1.002","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210632","9.2113","0.0002","26.5836","0.0005","6.8556","0.0001","90","","96.74","0.002","90","","1667.13","0.05","295","2","295","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C22 H39 La O21 P4 -","- C22 H38 La O21 P4 -","- C44 H76 La2 O42 P8 -","2","0.5","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0181","0.0173","","","0.0413","0.0417","","","","","","1.028","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210633","23.267","0.004","4.886","0.001","12.329","0.002","90","","93.18","0.01","90","","1399.4","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O8 P2 -","- C10 H14 O8 P2 -","- C40 H56 O32 P8 -","4","1","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.1113","0.0441","","","0.0783","0.0947","","","","","","1.016","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210634","6.0078","0.0004","16.9401","0.0012","13.0061","0.0008","90","","116.158","0.003","90","","1188.1","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N O5 S Sr -","- C9 H9 N O5 S Sr -","- C36 H36 N4 O20 S4 Sr4 -","4","1","","Chen, Qian; Guo, Ping-Chun; Zhao, Shun-Ping; Liu, Jian-Lan; Ren, Xiao-Ming","A rhombus channel metal‒organic framework comprised of Sr2+ and thiophene-2, 5-dicarboxylic acid exhibiting novel dielectric bistability","CrystEngComm","2013","15","6","1264","","10.1039/c2ce26450a","","","0.71073","MoKα","","0.0331","0.0239","","","0.0569","0.0592","","","","","","1.056","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210635","9.6317","0.0006","10.0666","0.0006","13.223","0.0008","100.815","0.001","108.214","0.001","102.074","0.001","1145.87","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N3 O4 Zn -","- C27 H20 N3 O4 Zn -","- C54 H40 N6 O8 Zn2 -","2","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0475","0.039","","","0.0894","0.0928","","","","","","0.948","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210636","28.3656","0.0016","11.4712","0.0006","18.2929","0.001","90","","102.876","0.001","90","","5802.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Co N4 O5 -","- C33 H28 Co N4 O5 -","- C264 H224 Co8 N32 O40 -","8","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0554","0.0428","","","0.118","0.1245","","","","","","1.005","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210637","28.676","0.004","11.7344","0.0015","17.82","0.003","90","","101.202","0.002","90","","5882.1","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H21 Cd N3 O4 -","- C30 H21 Cd N3 O4 -","- C240 H168 Cd8 N24 O32 -","8","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0653","0.0448","","","0.1301","0.1413","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210638","11.972","0.003","12.043","0.004","27.792","0.008","90","","99.959","0.004","90","","3947","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H27 N5 O4 Zn -","- C38 H27 N5 O4 Zn -","- C152 H108 N20 O16 Zn4 -","4","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0915","0.0756","","","0.2144","0.232","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210639","25.0837","0.0011","8.7814","0.0004","22.6654","0.001","90","","91.853","0.001","90","","4989.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H19 Co N2 O4 -","- C28 H19 Co N2 O4 -","- C224 H152 Co8 N16 O32 -","8","1","","Zhou, Jianliang; Wang, Yuanyuan; Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Zheng, Hegen","Syntheses, characterizations and properties of five new metal‒organic complexes based on flexible ligand 4,4′-(phenylazanediyl)dibenzoic acid","CrystEngComm","2013","15","3","616","","10.1039/c2ce26521d","","","0.71073","MoKα","","0.0559","0.0492","","","0.1376","0.1436","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210640","4.84119","0.00015","31.5272","0.001","7.9505","0.0003","90","","93.844","0.003","90","","1210.75","0.07","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N -","- C14 H14 Cl N -","- C56 H56 Cl4 N4 -","4","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKa","","","0.0929","","","","0.2658","","","","","","1.04","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210641","18.1754","0.0004","6.91256","0.00013","25.7534","0.0005","90","","110.555","0.0009","90","","3029.63","0.11","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H45 Cl3 N2 O4 -","- C28 H28 Cl3 N2 O4 -","- C112 H112 Cl12 N8 O16 -","4","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0741","","","","0.2346","","","","","","1.064","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210642","4.8772","0.0002","16.2559","0.0007","18.5704","0.0008","80.839","0.003","87.297","0.002","84.649","0.003","1446.43","0.11","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16.5 Cl1.5 N O -","- C14 H14 Cl1.5 N O -","- C56 H56 Cl6 N4 O4 -","4","2","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0884","","","","0.1799","","","","","","1.034","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210643","4.70335","0.00013","32.1116","0.0009","8.1926","0.0003","90","","98.0162","0.0019","90","","1225.26","0.07","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 Br Cl N -","- C13 H11 Br Cl N -","- C52 H44 Br4 Cl4 N4 -","4","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0658","","","","0.1743","","","","","","1.108","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210644","4.79","0.0001","8.28058","0.00017","16.2189","0.0004","105.827","0.0014","91.591","0.0013","98.634","0.0014","610.31","0.02","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C13 H11 Cl N2 O2 -","- C13 H11 Cl N2 O2 -","- C26 H22 Cl2 N4 O4 -","2","2","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0449","","","","0.1981","","","","","","1.206","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210645","5.0232","0.0003","7.3643","0.0003","17.3038","0.0008","92.657","0.003","91.992","0.003","92.424","0.004","638.42","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Cl F3 N -","- C14 H11 Cl F3 N -","- C28 H22 Cl2 F6 N2 -","2","1","","Yamada, Shinji; Sako, Nodoka; Okuda, Mai; Hozumi, Atsuko","A dual-synthon in pyridinium chloride: formation of ladder-like and columnar motifs through hydrogen bonds and cation‒π interactions","CrystEngComm","2013","15","1","199","","10.1039/c2ce26547h","","","1.54187","CuKα","","","0.0631","","","","0.1487","","","","","","0.992","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210646","12.996","0.005","22.878","0.005","13.696","0.005","90","0.005","93.972","0.005","90","0.005","4062","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H31 Cu N5 O4 -","- C17 H31 Cu N5 O4 -","- C136 H248 Cu8 N40 O32 -","8","2","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71069","MoKα","","0.1157","0.0556","","","0.1376","0.1729","","","","","","1.025","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210647","11.135","","13.601","","14.886","","90","","96.37","","90","","2240.52","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Cu2 N10 O10 -","- C38 H50 Cu2 N10 O10 -","- C76 H100 Cu4 N20 O20 -","2","0.5","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.0905","0.0468","","","0.1006","0.1153","","","","","","0.981","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210648","13.536","","9.938","","16.885","","90","","90","","90","","2271.38","","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cd N5 O4 -","- C19 H23 Cd N5 O4 -","- C76 H92 Cd4 N20 O16 -","4","1","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.1166","0.05","","","0.1023","0.1341","","","","","","0.822","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210649","23.396","0.005","6.654","0.005","23.775","0.005","90","","112.26","0.03","90","","3425","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H46 Ag2 Cu N8 O16 -","- C20 H46 Ag2 Cu N8 O16 -","- C80 H184 Ag8 Cu4 N32 O64 -","4","0.5","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.0983","0.0633","","","0.1701","0.2182","","","","","","1.106","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210650","16.435","","7.076","","20.06","","90","","107.66","","90","","2222.92","","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C14 H20 Cd Cu N2 O14 -","- C14 H18 Cd Cu N2 O14 -","- C56 H72 Cd4 Cu4 N8 O56 -","4","0.5","","Semerci, Fatih; Yeşilel, Okan Zafer; Keskin, Seda; Darcan, Cihan; Taş, Murat; Dal, Hakan","Construction of homo- and heterometallic-pyridine-2,3-dicarboxylate metallosupramolecular networks with structural diversity: 1D T5(2) water tape and unexpected coordination mode of pyridine-2,3-dicarboxylate","CrystEngComm","2013","15","6","1244","","10.1039/c2ce26675j","","","0.71073","MoKα","","0.0929","0.0771","","","0.2406","0.2592","","","","","","1.07","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210651","6.7098","0.0013","21.342","0.004","13.358","0.004","90","","106.86","0.03","90","","1830.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Co3 N20 O4 -","- C28 H28 Co3 N20 O4 -","- C56 H56 Co6 N40 O8 -","2","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0368","0.0307","","","0.0755","0.0785","","","","","","1.056","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210652","10.1598","0.0002","10.1598","0.0002","14.4082","0.0005","90","","90","","90","","1487.24","0.07","293","2","293","2","","","","","","","","4","P -4 n 2","P -4 -2n","118","","","","- C14 H12 N10 Zn -","- C14 H12 N10 Zn -","- C56 H48 N40 Zn4 -","4","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0316","0.0241","","","0.0613","0.0653","","","","","","1.047","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210653","9.6538","0.0011","6.8521","0.0007","12.5458","0.001","90","","106.164","0.006","90","","797.08","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Ag N5 -","- C7 H6 Ag N5 -","- C28 H24 Ag4 N20 -","4","1","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.052","0.0386","","","0.1012","0.1075","","","","","","1.1","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210654","12.0719","0.0006","7.3729","0.0004","10.1929","0.0005","90","","106.434","0.001","90","","870.15","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Co N4 O3 -","- C8 H6 Co N4 O3 -","- C32 H24 Co4 N16 O12 -","4","1","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0276","0.024","","","0.0606","0.0624","","","","","","1.054","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210655","17.362","0.015","7.135","0.006","7.475","0.006","90","","90","","90","","926","1.3","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H4 N4 O2 Pb -","- C8 H4 N4 O2 Pb -","- C32 H16 N16 O8 Pb4 -","4","0.5","","Sun, Jia-Yin; Wang, Li; Zhang, Dao-Jun; Li, Da; Cao, Yu; Zhang, Li-Ying; Zeng, Shuang-Li; Pang, Guang-Sheng; Fan, Yong; Xu, Jia-Ning; Song, Tian-You","Construction of metal‒organic coordination polymers derived from 4-substituted tetrazole‒benzoate ligands: synthesis, structure, luminescence, and magnetic behaviors","CrystEngComm","2013","15","17","3402","","10.1039/c2ce26793d","","","0.71073","MoKα","","0.0307","0.03","","","0.0762","0.0766","","","","","","1.112","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210656","17.4047","0.0013","26.943","0.002","17.9892","0.0015","90","","106.941","0.004","90","","8069.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(bis(μ~9~-(5,5',5'',5'''-((Adamantane-1,3,5,7-tetrayl)- tetra-(phen-4-yl))-tetrakistetrazolato))- bis-(μ~2~-chloro)-tetraaqua-tetrakisdimethylformamido- penta-manganese(ii) dimethylformamide and water solvate )","","- C109 H147 Cl2 Mn5 N43 O18 -","- C117.922 H70 Cl2 Mn5 N43.458 O17.5 -","- C235.844 H140 Cl4 Mn10 N86.916 O35 -","2","0.5","","Boldog, Ishtvan; Domasevitch, Konstantin V.; Baburin, Igor A.; Ott, Holger; Gil-Hernández, Beatriz; Sanchiz, Joaquín; Janiak, Christoph","A rare alb-4,8-Cmce metal‒coordination network based on tetrazolate and phosphonate functionalized 1,3,5,7-tetraphenyladamantane","CrystEngComm","2013","15","6","1235","","10.1039/c2ce26819a","","","0.71073","MoKα","","0.1289","0.0994","","","0.2659","0.2919","","","","","","1.081","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7210657","22.6358","0.0007","19.0353","0.0005","27.9879","0.0011","90","","110.636","0.002","90","","11285.7","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[{μ~5~- pentahydrogen((adamant-1,3,5,7-tetrayl)-phen-4-yl)- tetraphosphonate-O,O',O'',O''',O'''')- -triaqua-lantanum(iii)} water and methanol solvate]","","- C34 H39 La O15 P4 -","- C36.35 H27.808 La O17.8 P4 -","- C290.8 H222.464 La8 O142.4 P32 -","8","1","","Boldog, Ishtvan; Domasevitch, Konstantin V.; Baburin, Igor A.; Ott, Holger; Gil-Hernández, Beatriz; Sanchiz, Joaquín; Janiak, Christoph","A rare alb-4,8-Cmce metal‒coordination network based on tetrazolate and phosphonate functionalized 1,3,5,7-tetraphenyladamantane","CrystEngComm","2013","15","6","1235","","10.1039/c2ce26819a","","","0.71073","MoKα","","0.1627","0.0994","","","0.2592","0.3014","","","","","","1.051","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210658","18.5326","0.0014","13.145","0.0014","14.9863","0.0016","90","","122.453","0.003","90","","3080.7","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Co-mellitate-MeOH","","","- C14 H48 Co3 O34 -","- C14 H34 Co3 O30 -","- C56 H136 Co12 O120 -","4","0.5","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","0.71073","MoKα","","0.0294","0.0243","","","0.0628","0.0658","","","","","","1.04","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210659","24.165","0.004","9.0577","0.0012","16.073","0.002","90","","100.167","0.004","90","","3462.8","0.9","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Cobalt-mellitate","","","- C12 H12 Co3 O18 -","- C12 H12 Co3 O18 -","- C96 H96 Co24 O144 -","8","1","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","0.71073","MoKα","","0.0262","0.021","","","0.0544","0.0572","","","","","","1.05","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210660","20.8707","0.0017","6.4205","0.0005","16.0526","0.0013","90","","122.827","0.001","90","","1807.6","0.3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Co4(mel)(OH)2(H2O)]6(H2O)","","","- C12 H14 Co4 O20 -","- C12 H14 Co4 O20 -","- C48 H56 Co16 O80 -","4","0.5","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","0.71073","MoKα","","0.0295","0.0212","","","0.0445","0.0473","","","","","","1.059","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210661","15.7969","0.0008","20.9803","0.0011","20.0682","0.001","90","","96.453","0.002","90","","6608.9","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Mn-bpy-mellitate","","","- C64 H52.17 Mn4 N8 O32.08 -","- C64 H52 Mn4 N8 O32.088 -","- C256 H208 Mn16 N32 O128.352 -","4","1","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","1.54178","CuKα","","0.0392","0.0314","","","0.0718","0.0756","","","","","","1.025","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210662","9.0764","0.0003","21.9597","0.0008","16.5364","0.0006","90","","94.617","0.002","90","","3285.3","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(Mn2(H2mel)(phen)2(H2O)2)","","","- C72 H44 Mn4 N8 O28 -","- C72 H44 Mn4 N8 O28 -","- C144 H88 Mn8 N16 O56 -","2","0.5","","Li, Meng-Yuan; Sevov, Slavi C.","Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers","CrystEngComm","2013","15","6","1225","","10.1039/c2ce26866c","","","1.54178","CuKα","","0.0522","0.0458","","","0.1121","0.1154","","","","","","1.056","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210663","9.931","0.0018","10.078","0.0019","19.577","0.004","99.024","0.002","93.008","0.003","103.845","0.002","1870.6","0.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2-(4-Dimethylaminostylbyl)idene malonic acid dimethyl ester","2-(4-Dimethylaminostylbyl)idene malonic acid dimethyl ester","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C88 H92 N4 O16 -","4","2","","Coluccini, Carmine; Sharma, Arvind K.; Caricato, Marco; Sironi, Angelo; Cariati, Elena; Righetto, Stefania; Tordin, Elisa; Botta, Chiara; Forni, Alessandra; Pasini, Dario","Switching of emissive and NLO properties in push-pull chromophores with crescent PPV-like structures.","Physical chemistry chemical physics : PCCP","2013","15","5","1666","1674","10.1039/c2cp43140h","","","0.71073","MoKα","","0.1438","0.0539","","","0.098","0.1275","","","","","","0.951","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210664","10.8756","0.0005","16.1912","0.0007","20.1235","0.0008","90","","94.485","0.007","90","","3532.7","0.3","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H37 N2 O6 -","- C42 H36 N2 O6 -","- C168 H144 N8 O24 -","4","1","","Kamino, Shinichiro; Muranaka, Atsuya; Murakami, Miho; Tatsumi, Asana; Nagaoka, Noriyuki; Shirasaki, Yoshinao; Watanabe, Keiko; Yoshida, Kengo; Horigome, Jun; Komeda, Seiji; Uchiyama, Masanobu; Enomoto, Shuichi","A red-emissive aminobenzopyrano-xanthene dye: elucidation of fluorescence emission mechanisms in solution and in the aggregate state.","Physical chemistry chemical physics : PCCP","2013","15","6","2131","2140","10.1039/c2cp43503a","","","1.54187","CuKα","","0.1113","0.0814","","","0.2629","0.3082","","","","","","1","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210665","8.3587","0.0005","11.358","0.0006","16.6543","0.0009","71.237","0.001","81.473","0.001","86.107","0.001","1480.21","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","mu-aqua-mu-hydroxo-mu-acetato-kappa2-O1,O2-bis(2,2'-bipyridyl)dicopper(II) trifluoromethanesulfonate","","- C24 H22 Cu2 F6 N4 O10 S2 -","- C24 H22 Cu2 F6 N4 O10 S2 -","- C48 H44 Cu4 F12 N8 O20 S4 -","2","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.0368","0.0325","","","0.0871","0.0894","","","","","","1.064","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210666","8.0321","0.0006","11.1208","0.0008","16.9976","0.0012","87.467","0.004","88.341","0.004","79.509","0.004","1491.11","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","mu-aqua-mu-hydroxo-mu-formato-kappa2-O1,O2-bis(4,4'-dimethyl-2,2'-bipyridyl) dicopper(II) perchlorate","","- C25 H28 Cl2 Cu2 N4 O12 -","- C25 H28 Cl2 Cu2 N4 O12 -","- C50 H56 Cl4 Cu4 N8 O24 -","2","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.0356","0.0283","","","0.0827","0.0953","","","","","","1.099","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210667","8.4364","0.0005","11.008","0.0007","17.0555","0.001","94.232","0.001","92.777","0.001","95.28","0.001","1570.45","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","mu-aqua-mu-hydroxo-mu-acetato-kappa2-O1,O2-bis(2,2'-bipyridyl) dicopper(II) perchlorate","","- C26 H30 Cl2 Cu2 N4 O12 -","- C26 H30 Cl2 Cu2 N4 O12 -","- C52 H60 Cl4 Cu4 N8 O24 -","2","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.0333","0.0301","","","0.0811","0.0832","","","","","","1.046","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210668","8.2136","0.0003","16.5961","0.0006","22.9861","0.0009","90","","95.828","0.001","90","","3117.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","mu-aqua-mu-hydroxo-mu-acetato-kappa2-O1,O2-bis(5,5'-dimethyl-2,2'-bipyridyl) dicopper(II) perchlorate","","- C26 H30 Cl2 Cu2 N4 O12 -","- C26 H30 Cl2 Cu2 N4 O12 -","- C104 H120 Cl8 Cu8 N16 O48 -","4","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.0325","0.0292","","","0.0785","0.0806","","","","","","1.049","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210669","8.66","0.001","12.712","0.002","16.826","0.002","71.42","0.01","89.94","0.01","75.56","0.01","1694.1","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","mu-aqua-mu-hydroxo-mu-trimethylacetato-kappa2-O1,O2- bis(5,5'-dimethyl-2,2'-bipyridyl)dicopper(II) percholrate","","- C29 H35 Cl2 Cu2 N4 O12 -","- C29 H35 Cl2 Cu2 N4 O12 -","- C58 H70 Cl4 Cu4 N8 O24 -","2","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.09","0.0778","","","0.1758","0.1835","","","","","","1.267","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210670","9.1312","0.0006","17.4262","0.0011","22.0653","0.0014","90","","90.562","0.003","90","","3510.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","mu-aqua-mu-hydroxo-mu-acetato-kappa2-O1,O2-bis(5,5'-dimethyl-2,2'-bipyridyl) dicopper(II) trifluoromethanesulfonate","","- C28 H30 Cu2 F6 N4 O10 S2 -","- C28 H30 Cu2 F6 N4 O10 S2 -","- C112 H120 Cu8 F24 N16 O40 S8 -","4","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.081","0.0652","","","0.1436","0.1534","","","","","","1.147","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210671","9.1519","0.0006","12.255","0.0008","16.5318","0.001","104.155","0.002","92.966","0.002","97.551","0.002","1775.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","mu-aqua-mu-hydroxo-mu-propionato-kappa2-O1,O2- bis(5,5'-dimethyl-2,2'-bipyridyl)dicopper(II) trifluoromethanesulfonate","","- C29 H32 Cu2 F6 N4 O10 S2 -","- C29 H32 Cu2 F6 N4 O10 S2 -","- C58 H64 Cu4 F12 N8 O20 S4 -","2","1","","Wannarit, Nanthawat; Pakawatchai, Chaveng; Mutikainen, Ilpo; Costa, Ramon; Moreira, Ibério de P R; Youngme, Sujittra; Illas, Francesc","Hetero triply-bridged dinuclear copper(II) compounds with ferromagnetic coupling: a challenge for current density functionals.","Physical chemistry chemical physics : PCCP","2013","15","6","1966","1975","10.1039/c2cp43839a","","","0.71073","MoKα","","0.0476","0.0424","","","0.1197","0.1265","","","","","","1.057","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210672","8.0832","0.001","8.7332","0.0008","9.2121","0.0008","80.892","0.008","71.071","0.01","74.681","0.009","591.4","0.11","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","1","0.5","","Arcís-Castillo, Zulema; Piñeiro-López, Lucía; Muñoz, M. Carmen; Ballesteros, Rafael; Abarca, Belén; Real, José Antonio","Structural, magnetic and calorimetric studies of a crystalline phase of the spin crossover compound [Fe(tzpy)2(NCSe)2]","CrystEngComm","2013","15","17","3455","","10.1039/c3ce00003f","","","0.71073","MoKα","","0.093","0.0568","","","0.121","0.1524","","","","","","0.916","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210673","8.19","0.003","8.861","0.003","9.396","0.002","80.68","0.03","71.62","0.03","76.25","0.03","625.7","0.4","325","1","325","1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","- C24 H16 Fe N10 Se2 -","1","0.5","","Arcís-Castillo, Zulema; Piñeiro-López, Lucía; Muñoz, M. Carmen; Ballesteros, Rafael; Abarca, Belén; Real, José Antonio","Structural, magnetic and calorimetric studies of a crystalline phase of the spin crossover compound [Fe(tzpy)2(NCSe)2]","CrystEngComm","2013","15","17","3455","","10.1039/c3ce00003f","","","0.71073","MoKα","","0.1049","0.0655","","","0.1207","0.1787","","","","","","0.931","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210674","17.1875","0.0002","17.1875","0.0002","12.1717","0.0002","90","","90","","90","","3595.64","0.08","2","2","2","2","","","","","","","AF18","4","I -4","I -4","82","","","","- C36 H72 Mn12 O56 -","- C36 H72 Mn12 O56 -","- C72 H144 Mn24 O112 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","x-ray","0.71073","MoKα","K-L~3~","0.0408","0.0366","","","0.0888","0.0907","","","","","","1.077","","","","has coordinates,has disorder","288544","2023-12-24","01:38:19",""
"7210675","17.235","0.004","17.235","0.004","12.038","0.003","90","","90","","90","","3575.8","1.5","100","","100","","","","","","","","AF37A","4","I -4","I -4","82","","","","- C32 H64 Mn12 O52 -","- C32 H64 Mn12 O52 -","- C64 H128 Mn24 O104 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","","0.71073","MoKα","","0.0458","0.0434","","0.0372","0.0329","0.0332","","","","","","1.1297","","","","has coordinates","288544","2023-12-24","01:38:19",""
"7210676","16.0506","0.0012","16.0506","0.0012","11.9067","0.0012","90","","90","","90","","3067.4","0.4","100","","100","","","","","","","","AF37A","4","I -4","I -4","82","","","","- C32 H56 Mn12 O48 -","- C32 H56 Mn12 O48 -","- C64 H112 Mn24 O96 -","2","0.25","","Farrell, Andrew R.; Coome, Jonathan A.; Probert, Michael R.; Goeta, Andrès E.; Howard, Judith A. K.; Lemée-Cailleau, Marie-Hélène; Parsons, Simon; Murrie, Mark","Ultra-low temperature structure determination of a Mn12 single-molecule magnet and the interplay between lattice solvent and structural disorder","CrystEngComm","2013","15","17","3423","","10.1039/c3ce00042g","","","0.71073","MoKα","","0.0234","0.0223","","0.0459","0.045","0.0457","","","","","","0.9668","","","","has coordinates","288544","2023-12-24","01:38:19",""
"7210677","21.1177","0.0016","14.9308","0.0011","8.8929","0.0007","90","","90","","90","","2804","0.4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C26 H16 Mn N14 S2 -","- C26 H16 Mn N14 S2 -","- C104 H64 Mn4 N56 S8 -","4","","","Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh","Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers","CrystEngComm","2013","15","15","3031","","10.1039/c3ce00058c","","","0.71073","MoKα","","0.0595","0.0379","","","0.092","0.1029","","","","","","1.037","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210678","15.637","0.005","5.627","0.005","16.468","0.005","90","0.005","116.561","0.005","90","0.005","1296.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Mn N6 O6 -","- C28 H26 Mn N6 O6 -","- C56 H52 Mn2 N12 O12 -","2","0.5","","Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh","Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers","CrystEngComm","2013","15","15","3031","","10.1039/c3ce00058c","","","0.71073","MoKα","","0.0429","0.0329","","","0.0824","0.0875","","","","","","1.048","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210679","11.336","0.005","12.249","0.005","13.784","0.005","85.864","0.005","67.811","0.005","74.415","0.005","1706.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H46 Mn3 N12 O12 -","- C66 H46 Mn3 N12 O12 -","- C66 H46 Mn3 N12 O12 -","1","0.5","","Seth, Piya; Bauzá, Antonio; Frontera, Antonio; Massera, Chiara; Gamez, Patrick; Ghosh, Ashutosh","Analysis of the contribution of the π-acidity of the s-tetrazine ring in the crystal packing of coordination polymers","CrystEngComm","2013","15","15","3031","","10.1039/c3ce00058c","","","0.71073","MoKα","","0.1196","0.0581","","","0.136","0.1639","","","","","","0.903","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210680","11.0483","0.0006","20.7209","0.0011","22.0818","0.0014","115.715","0.006","99.403","0.005","90.774","0.004","4473.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H40 Co4 N4 O22 -","- C52 H40 Co4 N4 O22 -","- C104 H80 Co8 N8 O44 -","2","1","","Li, Huijun; Han, Yi; Lv, Xiaofeng; Du, Shanshan; Hou, Hongwei; Fan, Yaoting","3D CoII, NiII, CoII-doped NiII noninterpenetrated ladder-polymers: structural and magnetic studies","CrystEngComm","2013","15","18","3672","","10.1039/c3ce00061c","","","0.71073","MoKα","","0.1145","0.0645","","","0.1639","0.1842","","","","","","0.881","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210681","16.783","0.0013","14.1889","0.001","18.6834","0.0014","90","","97.743","0.001","90","","4408.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 N2 Ni2 O11 -","- C26 H20 N2 Ni2 O11 -","- C104 H80 N8 Ni8 O44 -","4","0.5","","Li, Huijun; Han, Yi; Lv, Xiaofeng; Du, Shanshan; Hou, Hongwei; Fan, Yaoting","3D CoII, NiII, CoII-doped NiII noninterpenetrated ladder-polymers: structural and magnetic studies","CrystEngComm","2013","15","18","3672","","10.1039/c3ce00061c","","","0.71073","MoKα","","0.0691","0.043","","","0.1034","0.111","","","","","","0.816","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210682","16.846","0.012","14.179","0.01","18.754","0.014","90","","97.701","0.01","90","","4439","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Co0.94 N2 Ni1.06 O11 -","- C26 H20 Co0.94 N2 Ni1.06 O11 -","- C104 H80 Co3.76 N8 Ni4.24 O44 -","4","0.5","","Li, Huijun; Han, Yi; Lv, Xiaofeng; Du, Shanshan; Hou, Hongwei; Fan, Yaoting","3D CoII, NiII, CoII-doped NiII noninterpenetrated ladder-polymers: structural and magnetic studies","CrystEngComm","2013","15","18","3672","","10.1039/c3ce00061c","","","0.71073","MoKα","","0.1235","0.0761","","","0.2046","0.2232","","","","","","0.988","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210683","24.401","0.004","24.401","0.004","11.5733","0.0018","90","","90","","120","","5967.6","1.7","173","2","173","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C12 H31 Cu3 N7 O8 -","- C12 H24 Cu3 N7 O8 -","- C108 H216 Cu27 N63 O72 -","9","0.5","","Xia, Bing; Chen, Zhenxia; Zheng, Qingshu; Zheng, Hua; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","A flexible porous metal‒azolate framework constructed by [Cu3(μ3-OH)(μ2-O)(triazolate)2]+ building blocks: synthesis, reversible structural transformation and related magnetic properties","CrystEngComm","2013","15","17","3484","","10.1039/c3ce00070b","","","0.71073","MoKα","","0.0615","0.0555","","","0.1499","0.1568","","","","","","1.132","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210684","24.9131","0.0014","24.9131","0.0014","10.8608","0.0012","90","","90","","120","","5837.8","0.8","173","2","173","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C9 H24 Cu3 N6 O9 -","- C9 H24 Cu3 N6 O9 -","- C81 H216 Cu27 N54 O81 -","9","0.5","","Xia, Bing; Chen, Zhenxia; Zheng, Qingshu; Zheng, Hua; Deng, Mingli; Ling, Yun; Weng, Linhong; Zhou, Yaming","A flexible porous metal‒azolate framework constructed by [Cu3(μ3-OH)(μ2-O)(triazolate)2]+ building blocks: synthesis, reversible structural transformation and related magnetic properties","CrystEngComm","2013","15","17","3484","","10.1039/c3ce00070b","","","0.71073","MoKα","","0.0711","0.0658","","","0.1866","0.1902","","","","","","1.154","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210685","51.5597","0.0007","58.692","0.0008","3.381","","90","","90","","90","","10231.4","0.2","296","2","296","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- B8 Cd7 Na2 O20 -","- B8 Cd7 Na2 O20 -","- B192 Cd168 Na48 O480 -","24","1.5","","Zhou, Lin; Pan, Shilie; Dong, Xiaoyu; Yu, Hongwei; Wu, Hongping; Zhang, Fangfang; Zhou, Zhongxiang","Na2Cd7B8O20: a new noncentrosymmetric compound with special [B3O7] units","CrystEngComm","2013","15","17","3412","","10.1039/c3ce26587k","","","0.71073","MoKα","","0.0507","0.0412","","","0.1016","0.1074","","","","","","1.063","","","","has coordinates,has disorder","180437","2020-10-21","18:00:00",""
"7210686","32.44","0.005","38.7","0.005","14.781","0.005","90","0.005","90","0.005","90","0.005","18556","7","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C52 H36 Cd N10 S2 -","- C52 H36 Cd N10 S2 -","- C832 H576 Cd16 N160 S32 -","16","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0457","0.0398","","","0.1191","0.1262","","","","","","1.017","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210687","13.46","0.005","25.921","0.005","7.34","0.005","90","0.005","95.017","0.005","90","0.005","2551","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Hg N6 S2 -","- C27 H18 Hg N6 S2 -","- C108 H72 Hg4 N24 S8 -","4","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0334","0.0264","","","0.065","0.0681","","","","","","1.032","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210688","17.794","0.005","18.67","0.005","14.665","0.005","90","0.005","96.751","0.005","90","0.005","4838","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br2 Hg N4 -","- C25 H18 Br2 Hg N4 -","- C200 H144 Br16 Hg8 N32 -","8","2","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.1023","0.0424","","","0.0793","0.1065","","","","","","0.991","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210689","13.334","0.005","26.776","0.005","7.767","0.005","90","0.005","100.081","0.005","90","0.005","2730","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Hg I2 N4 -","- C25 H18 Hg I2 N4 -","- C100 H72 Hg4 I8 N16 -","4","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0494","0.0452","","","0.1415","0.1454","","","","","","1.075","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210690","12.194","0.005","12.533","0.005","15.864","0.005","86.325","0.005","71.489","0.005","87.781","0.005","2293.9","1.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H40 Co N10 O S2 -","- C53 H40 Co N10 O S2 -","- C106 H80 Co2 N20 O2 S4 -","2","1","","Jin, Feng; Wang, Hui-Zhen; Zhang, Ying; Wang, Yang; Zhang, Jun; Kong, Lin; Hao, Fu-Ying; Yang, Jia-Xiang; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Metal cation- and anion-induced assembly: structures and luminescent properties","CrystEngComm","2013","15","18","3687","","10.1039/c3ce26685k","","","0.71069","MoKα","","0.0487","0.0392","","","0.1297","0.1442","","","","","","1.087","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210691","8.2456","0.0018","8.2456","0.0018","33.852","0.011","90","","90","","90","","2301.6","1","296","2","296","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H14 Cd N2 O8 S2 -","- C22 H14 Cd N2 O8 S2 -","- C88 H56 Cd4 N8 O32 S8 -","4","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker","CrystEngComm","2013","15","14","2745","","10.1039/c3ce26686a","","","0.71073","MoKα","","0.0176","0.0176","","","0.0471","0.0471","","","","","","1.077","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210692","19.1466","0.0019","16.2759","0.0016","13.1959","0.0013","90","","95.905","0.001","90","","4090.4","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd N2 O7 S -","- C18 H18 Cd N2 O7 S -","- C144 H144 Cd8 N16 O56 S8 -","8","1","","Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker","CrystEngComm","2013","15","14","2745","","10.1039/c3ce26686a","","","0.71073","MoKα","","0.0411","0.0271","","","0.0546","0.0593","","","","","","1.024","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210693","13.6833","0.0019","10.995","0.0016","16.252","0.002","90","","92.354","0.002","90","","2443","0.6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H46 Cd2 N6 O8 S2 -","- C51 H46 Cd2 N6 O8 S2 -","- C102 H92 Cd4 N12 O16 S4 -","2","0.5","","Li, Zhao-Hao; Xue, Li-Ping; Li, Shi-Hui; Wang, Jian-Ge; Zhao, Bang-Tun; Kan, Jian; Su, Wei-Ping","Bis(pyridyl) ancillary ligands modulated uninodal 4-, 5- and 6-connected Cd(ii) coordination polymers based on 3,4-thiophenedicarboxylate linker","CrystEngComm","2013","15","14","2745","","10.1039/c3ce26686a","","","0.71073","MoKα","","0.1367","0.0588","","","0.1292","0.1949","","","","","","1.027","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210694","9.2965","0.0012","8.9901","0.0012","16.812","0.002","90","","96.943","0.01","90","","1394.8","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H26 N2 O10 -","- C34 H26 N2 O10 -","- C68 H52 N4 O20 -","2","1","","Jana, Poulami; Maity, Suman Kumar; Bera, Santu; Ghorai, Pradip Kumar; Haldar, Debasish","Hierarchical self-assembly of naphthalene bisimides to fluorescent microspheres and fluoride sensing","CrystEngComm","2013","15","13","2512","","10.1039/c3ce26700h","","","1.54178","CuKα","","0.0359","0.0319","","","0.0782","0.0807","","","","","","1.049","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210695","22.128","0.013","28.524","0.016","29.033","0.018","90","","90","","90","","18325","19","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H12 N3 O7 Y -","- C24 H12 N3 O7 Y -","- C768 H384 N96 O224 Y32 -","32","1","","Zhang, Huabin; Lin, Ping; Zou, Guodong; Shan, Xiaochen; Du, Fenglei; Du, Shaowu","An unusual highly connected 3D net with hydrophilic pore surface","CrystEngComm","2013","15","15","3016","","10.1039/c3ce26788a","","","0.71073","MoKα","","0.1045","0.087","","","0.2005","0.2113","","","","","","1.033","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210696","10.4354","0.0011","11.5091","0.0012","12.1928","0.0012","80.05","0.001","70.954","0.001","73.524","0.001","1322.2","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O17 Zn3 -","- C24 H22 O17 Zn3 -","- C48 H44 O34 Zn6 -","2","1","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0521","0.0451","","","0.1052","0.1122","","","","","","1.013","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210697","9.3898","0.0007","19.8601","0.0014","17.9499","0.0011","90","","110.534","0.003","90","","3134.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H66 N8 O16 Zn2 -","- C56 H54 N8 O16 Zn2 -","- C112 H108 N16 O32 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0933","0.0733","","","0.2195","0.2376","","","","","","1.072","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210698","7.7","0.004","7.867","0.004","19.442","0.009","85.133","0.006","88.43","0.006","88.495","0.006","1172.7","1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 O13 Zn -","- C24 H20 O13 Zn -","- C48 H40 O26 Zn2 -","2","1","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.1289","0.0907","","","0.2414","0.289","","","","","","0.984","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210699","20.334","0.002","15.2784","0.0016","8.0062","0.0009","90","","105.844","0.001","90","","2392.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 O14 Zn2 -","- C24 H14 O14 Zn2 -","- C96 H56 O56 Zn8 -","4","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0658","0.0404","","","0.1087","0.1287","","","","","","0.899","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7210700","8.7504","0.001","10.7138","0.0012","21.673","0.002","93.144","0.002","100.882","0.002","112.205","0.002","1829.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H60 Co2 N2 O32 -","- C76 H60 Co2 N2 O32 -","- C76 H60 Co2 N2 O32 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.09","0.0594","","","0.1578","0.1807","","","","","","0.873","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210701","8.815","0.004","15.386","0.007","16.055","0.008","104.527","0.006","92.798","0.006","101.187","0.006","2056.9","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H66 N4 O30 Zn2 -","- C92 H66 N4 O30 Zn2 -","- C92 H66 N4 O30 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.104","0.0609","","","0.129","0.153","","","","","","1","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210702","8.792","0.009","15.468","0.016","15.983","0.017","104.543","0.016","93.056","0.014","101.711","0.014","2048","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H66 N4 O30 Zn2 -","- C96 H66 N4 O30 Zn2 -","- C96 H66 N4 O30 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0961","0.0582","","","0.1419","0.1694","","","","","","0.875","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210703","7.9598","0.0006","15.1435","0.0012","17.0375","0.0014","90","","99.431","0.001","90","","2025.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 N4 O14 Zn2 -","- C44 H30 N4 O14 Zn2 -","- C88 H60 N8 O28 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.0603","0.0426","","","0.1271","0.1458","","","","","","0.976","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210704","8.695","0.005","16.594","0.009","17.034","0.009","90","","100.459","0.007","90","","2417","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H46 N4 O14 Zn2 -","- C48 H38 N4 O14 Zn2 -","- C96 H76 N8 O28 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.1589","0.0737","","","0.196","0.2383","","","","","","1.092","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210705","8.158","0.002","17.418","0.004","17.558","0.004","90","","98.28","0.003","90","","2468.9","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 N8 O14 Zn2 -","- C44 H30 N8 O14 Zn2 -","- C88 H60 N16 O28 Zn4 -","2","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.1269","0.0843","","","0.2361","0.2671","","","","","","1.085","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210706","8.642","0.013","10.856","0.016","21.62","0.03","93.143","0.016","100.055","0.019","111.373","0.019","1844","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H60 N2 O32 Zn2 -","- C76 H50 N2 O32 Zn2 -","- C76 H50 N2 O32 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Ju, Zhan-Feng; Li, Chun-Ju; Zhang, Qi-Kai; Li, Ming-Xing","Syntheses, structures, and photoluminescent properties of ten metal‒organic frameworks constructed by a flexible tetracarboxylate ligand","CrystEngComm","2013","15","14","2731","","10.1039/c3ce26864k","","","0.71073","MoKα","","0.2484","0.154","","","0.3972","0.4435","","","","","","1.289","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210707","12.166","0.002","12.6128","0.0011","13.073","0.003","90","","116.86","0.008","90","","1789.6","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H13 In3 Na O19 P5 -","- H13 In3 Na O19 P5 -","- H52 In12 Na4 O76 P20 -","4","1","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0447","0.0378","","","0.0682","0.0714","","","","","","0.992","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210708","5.477","0.0003","5.477","0.0003","13.0083","0.0012","90","","90","","120","","337.94","0.04","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- H2 In O6 P2 Rb -","- In O6 P2 Rb -","- In2 O12 P4 Rb2 -","2","0.166667","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0304","0.0304","","","0.0736","0.0736","","","","","","1.023","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210709","5.494","0.003","5.494","0.003","19.823","0.014","90","","90","","120","","518.2","0.5","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- Cs H2 In O6 P2 -","- Cs In O6 P2 -","- Cs3 In3 O18 P6 -","3","0.0833333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0413","0.0413","","","0.0798","0.0798","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210710","15.6227","0.0005","15.6227","0.0005","12.4684","0.0006","90","","90","","120","","2635.44","0.17","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Al2 Ba3 H6 O18 P6 -","- Al2 Ba3 H6 O18 P6 -","- Al12 Ba18 H36 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0256","0.0234","","","0.0579","0.0591","","","","","","1.081","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210711","15.7158","0.0015","15.7158","0.0015","12.679","0.004","90","","90","","120","","2712","0.9","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba3 Ga2 H6 O18 P6 -","- Ba3 Ga2 H6 O18 P6 -","- Ba18 Ga12 H36 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0607","0.0442","","","0.073","0.0784","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210712","15.932","0.008","15.932","0.008","13.327","0.014","90","","90","","120","","2930","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- Ba3 H6 In2 O18 P6 -","- Ba3 H6 In2 O18 P6 -","- Ba18 H36 In12 O108 P36 -","6","0.333333","","Wang, Xi-Jia; Zhang, Jian-Han; Song, Jun-Ling; Kong, Fang; Mao, Jiang-Gao","Syntheses, crystal structures of a series of novel alkali metal or alkaline earth metal phosphites","CrystEngComm","2013","15","13","2519","","10.1039/c3ce26885c","","","0.71073","MoKα","","0.0252","0.0222","","","0.0434","0.0445","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210713","10.6675","0.0005","21.4119","0.0009","24.6267","0.0014","90","","90","","90","","5625","0.5","173","2","173","2","","","","","","","","7","P b c m","-P 2c 2b","57","","","","- C41 H54 Ag3 Cl7 N2 O13 S8 -","- C41 H54 Ag3 Cl7 N2 O13 S8 -","- C164 H216 Ag12 Cl28 N8 O52 S32 -","4","0.5","","Lee, Eunji; Lee, Shim Sung","Unusual endo/exocyclic silver(i) coordination polymers of an NS4-macrocycle exhibiting solvent-induced single-crystal to single-crystal transformation","CrystEngComm","2013","15","9","1814","","10.1039/c3ce26900k","","","0.71073","MoKα","","0.0808","0.045","","","0.0987","0.1162","","","","","","1.031","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210714","8.8495","0.0014","12.1336","0.0019","12.559","0.002","80.603","0.007","89.677","0.007","81.09","0.007","1314.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H53 Ag3 Cl3 N3 O13 S8 -","- C41 H53 Ag3 Cl3 N3 O13 S8 -","- C41 H53 Ag3 Cl3 N3 O13 S8 -","1","0.5","","Lee, Eunji; Lee, Shim Sung","Unusual endo/exocyclic silver(i) coordination polymers of an NS4-macrocycle exhibiting solvent-induced single-crystal to single-crystal transformation","CrystEngComm","2013","15","9","1814","","10.1039/c3ce26900k","","","0.71073","MoKα","","0.0714","0.0708","","","0.1968","0.1971","","","","","","1.087","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210715","11.9158","0.0003","14.3094","0.0004","18.5432","0.0005","90","","94.685","0.001","90","","3151.2","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N4 Ni O8 -","- C31 H32 N4 Ni O8 -","- C124 H128 N16 Ni4 O32 -","4","1","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.1526","0.0555","","","0.09","0.1125","","","","","","1.005","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210716","12.4702","0.0002","22.7872","0.0004","11.0779","0.0002","90","","90","","90","","3147.91","0.09","273","2","273","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C30 H28 N4 Ni O8 -","- C30 H28 N4 Ni O8 -","- C120 H112 N16 Ni4 O32 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.0736","0.042","","","0.1109","0.1285","","","","","","1.072","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210717","24.5212","0.0018","11.1701","0.0008","12.2369","0.0008","90","","90","","90","","3351.7","0.4","100","2","100","2","","","","","","","","6","I m a 2","I 2 -2a","46","","","","- C30 H30 N4 Ni O10 S -","- C30 H26 N4 Ni O10 S -","- C120 H104 N16 Ni4 O40 S4 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.0683","0.0622","","","0.1706","0.176","","","","","","1.091","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210718","21.5324","0.0003","12.8686","0.0002","20.5775","0.0003","90","","93.497","0.001","90","","5691.24","0.15","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H50 N4 Ni2 O20 S2 -","- C46 H46 N4 Ni2 O20 S2 -","- C184 H184 N16 Ni8 O80 S8 -","4","0.5","","Liao, Yu-Hung; Hsu, Wayne; Yang, Chun-Chuen; Wu, Can-Yu; Chen, Jhy-Der; Wang, Ju-Chun","Structural diversity of Ni(ii) coordination polymers containing dipyridyl amide and angular dicarboxylate ligands: synthesis, structures and magnetism","CrystEngComm","2013","15","19","3974","","10.1039/c3ce26928k","","","0.71073","MoKα","","0.099","0.0567","","","0.1515","0.1736","","","","","","1.052","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210719","9.8199","0.0008","17.4052","0.0012","8.6142","0.0006","90","","105.229","0.008","90","","1420.61","0.19","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrahydrated diketopiperazinediacetato dicobalt hexahydrates","","","- C16 H40 Co2 N4 O20 -","- C16 H40 Co2 N4 O20 -","- C32 H80 Co4 N8 O40 -","2","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1161","0.0702","","","0.1066","0.1228","","","","","","1.028","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210720","9.726","0.004","17.322","0.005","8.608","0.003","90","","105.16","0.04","90","","1399.8","0.9","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrahydrated diketopiperazinediacetato dicobalt hexahydrates","","","- C16 H40 N4 Ni2 O20 -","- C16 H40 N4 Ni2 O20 -","- C32 H80 N8 Ni4 O40 -","2","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1805","0.0887","","","0.1031","0.1349","","","","","","0.963","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210721","9.793","0.0007","17.4391","0.0011","8.6138","0.0006","90","","105.169","0.007","90","","1419.82","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetrahydrated diketopiperazinediacetato dizinc hexahydrates","","","- C16 H40 N4 O20 Zn2 -","- C16 H40 N4 O20 Zn2 -","- C32 H80 N8 O40 Zn4 -","2","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.0961","0.0557","","","0.1196","0.1539","","","","","","0.885","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210722","20.3827","0.0016","6.2408","0.0004","20.2968","0.0017","90","","105.286","0.008","90","","2490.5","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexahydrated diketopiperazinediacetato dicobalt hydrate","","","- C16 H34 Co2 N4 O17 -","- C16 H34 Co2 N4 O17 -","- C64 H136 Co8 N16 O68 -","4","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1077","0.0673","","","0.1142","0.1299","","","","","","1.029","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210723","20.2101","0.0014","6.2209","0.0005","20.2424","0.0015","90","","104.9","0.008","90","","2459.4","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexahydrated diketopiperazinediacetato dinickel hydrate","","","- C16 H34 N4 Ni2 O17 -","- C16 H34 N4 Ni2 O17 -","- C64 H136 N16 Ni8 O68 -","4","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.0874","0.0583","","","0.1216","0.1393","","","","","","1.069","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210724","20.3516","0.0013","6.2589","0.0004","20.3214","0.0013","90","","105.162","0.007","90","","2498.4","0.3","446","2","446","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hexahydrated diketopiperazinediacetato dinickel hydrate","","","- C16 H34 N4 O17 Zn2 -","- C16 H34 N4 O17 Zn2 -","- C64 H136 N16 O68 Zn8 -","4","0.5","","Yang, Yu-Chen; Jiang, Xue; Zhou, Zhao-Hui","Conversions between dimeric and polymeric ketopiperazinediacetato complexes constructed by water-layers","CrystEngComm","2013","15","39","7999","","10.1039/c3ce26999j","","","0.71073","MoKα","","0.1115","0.0709","","","0.0968","0.1092","","","","","","1.065","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210725","21.501","0.004","26.51","0.008","30.067","0.006","90","","90","","90","","17138","7","123","2","123","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C23 H10 Cd N5 O9 -","- C23 H10 Cd N5 O9 -","- C552 H240 Cd24 N120 O216 -","24","1.5","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0926","0.0694","","","0.1703","0.1854","","","","","","1.089","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210726","15.1245","0.0009","15.1245","0.0009","12.6105","0.0014","90","","90","","120","","2498.2","0.3","273","2","273","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 H4 Br Cd N0 O8 -","- C16 H4 Br Cd O8 -","- C48 H12 Br3 Cd3 O24 -","3","0.25","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0814","0.0751","","","0.2214","0.2304","","","","","","1.079","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210727","14.6756","0.0007","14.6756","0.0007","12.8469","0.0011","90","","90","","120","","2396.2","0.3","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C16 H6 Cd N2 O12 -","- C16 H6 Cd N2 O12 -","- C48 H18 Cd3 N6 O36 -","3","0.25","","Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong","Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units","CrystEngComm","2013","15","17","3470","","10.1039/c3ce27103j","","","0.71073","MoKα","","0.0782","0.0655","","","0.1752","0.1843","","","","","","1.066","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210728","7.4706","0.0018","10.994","0.002","16.357","0.004","71.743","0.007","86.791","0.007","76.869","0.007","1242.3","0.5","","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cd N2 O10 S -","- C28 H16 Cd N2 O10 S -","- C56 H32 Cd2 N4 O20 S2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0261","0.0229","","","0.0526","0.0544","","","","","","1.051","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210729","10.905","0.005","13.194","0.007","14.97","0.008","110.429","0.007","95.307","0.006","91.644","0.006","2005.5","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 Cd2 N4 O14.5 S -","- C40 H31 Cd2 N4 O14.5 S -","- C80 H62 Cd4 N8 O29 S2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0699","0.0523","","","0.1345","0.1464","","","","","","1.084","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210730","11.8489","0.0007","16.7123","0.0006","18.8636","0.0011","90","","105.17","0.004","90","","3605.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H24 Cd2 N4 O11 S -","- C40 H24 Cd2 N4 O11 S -","- C160 H96 Cd8 N16 O44 S4 -","4","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0519","0.0394","","","0.0888","0.0973","","","","","","1.077","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210731","9.885","0.003","14.331","0.004","21.418","0.007","85.964","0.005","89.432","0.006","86.079","0.006","3019.5","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 Cd2 N8 O18 S -","- C64 H54 Cd2 N8 O18 S -","- C128 H108 Cd4 N16 O36 S2 -","2","1","","Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Luo, Jun-Hua; Hong, Mao-Chun","pH modulated assembly in the mixed-ligand system Cd(ii)‒dpstc‒phen: structural diversity and luminescent properties","CrystEngComm","2013","15","19","3992","","10.1039/c3ce27108k","","","0.71073","MoKα","","0.0599","0.0474","","","0.1284","0.1438","","","","","","1.04","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210732","13.9963","0.001","28.938","0.002","27.5474","0.0019","90","","92.911","0.001","90","","11143","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C120 H100 Mn4 N20 O137 P4 W36 -","- C120 H100 Mn4 N20 O134 P4 W36 -","- C240 H200 Mn8 N40 O268 P8 W72 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0683","0.0443","","","0.0947","0.1074","","","","","","1.045","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210733","13.9401","0.0009","23.1952","0.0015","14.6689","0.001","90","","108.094","0.001","90","","4508.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C46 H42 Mn2 N12 O63 P2 W18 -","- C46 H40 Mn2 N12 O63 P2 W18 -","- C92 H80 Mn4 N24 O126 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0584","0.0335","","","0.0628","0.0701","","","","","","1.018","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210734","13.9922","0.0008","22.7043","0.0012","14.7236","0.0008","90","","108.519","0.001","90","","4435.2","0.4","293","2","293","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C46 H44 Cu2 N12 O63 P2 W18 -","- C46 H44 Cu2 N12 O63 P2 W18 -","- C92 H88 Cu4 N24 O126 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0375","0.0266","","","0.0564","0.0599","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210735","29.7818","0.0017","23.1391","0.0013","17.8019","0.001","90","","101.189","0.001","90","","12034.5","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C168 H128 Mn6 N28 O135 P4 W36 -","- C168 H130 Mn6 N28 O135 P4 W36 -","- C336 H260 Mn12 N56 O270 P8 W72 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0394","0.0278","","","0.0556","0.0589","","","","","","1.04","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210736","17.4716","0.0006","19.9622","0.0007","32.5448","0.0012","90","","97.927","0.001","90","","11242.2","0.7","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H58 Cl2 Cu4 N13 O68 P2 W18 -","- C74 H58 Cl2 Cu4 N13 O68 P2 W18 -","- C296 H232 Cl8 Cu16 N52 O272 P8 W72 -","4","1","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0579","0.0405","","","0.084","0.0903","","","","","","1.062","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210737","14.8896","0.0016","13.1433","0.0015","22.255","0.002","90","","92.16","0.002","90","","4352.2","0.8","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C24 H42 Cu3 N16 O68 P2 W18 -","- C24 H42 Cu3 N16 O68 P2 W18 -","- C48 H84 Cu6 N32 O136 P4 W36 -","2","0.5","","Yu, Kai; Yu, Yang; Jiang, Bo-Dong; Zhou, Bai-Bin","Assembly of organic‒inorganic hybrid supramolecular materials based on {P2W18O62}6− anion and Cu(ii)/Mn(ii) complex","CrystEngComm","2013","15","25","5156","","10.1039/c3ce40088c","","","0.71073","MoKα","","0.0817","0.0506","","","0.087","0.093","","","","","","1.052","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210738","7.2811","0.0001","7.4048","0.0001","9.7916","0.0001","92.74","0.001","95.62","0.001","91.154","0.001","524.613","0.011","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C22 H16 Br2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0263","0.0237","","","0.0608","0.0621","","","","","","1.048","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210739","7.2607","0.0001","7.3081","0.0001","9.6963","0.0001","95.14","0.001","91.75","0.001","90.494","0.001","512.163","0.011","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C22 H16 Cl2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0348","0.0307","","","0.0867","0.0903","","","","","","1.057","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210740","10.1568","0.0001","11.0027","0.0002","18.8432","0.0003","90","","91.4","0.001","90","","2105.14","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C88 H64 Br8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0789","0.0431","","","0.0975","0.1114","","","","","","1.02","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210741","4.8485","0.0005","13.4762","0.0012","16.8631","0.0018","90","","95.849","0.009","90","","1096.09","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C44 H32 I4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0835","0.0602","","","0.1477","0.1576","","","","","","0.979","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210742","4.3086","0.0003","12.7522","0.0006","19.6521","0.0011","90","","92.258","0.005","90","","1078.93","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C44 H32 I4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0623","0.048","","","0.1129","0.118","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210743","5.9493","0.0005","7.6138","0.0008","12.9655","0.0012","79.339","0.008","85.153","0.008","69.377","0.007","540.05","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 I N3 O -","- C11 H8 I N3 O -","- C22 H16 I2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1108","0.0643","","","0.1346","0.1512","","","","","","0.926","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210744","6.9967","0.0005","7.5829","0.0006","19.4101","0.0012","98.546","0.006","99.133","0.006","96.346","0.006","995.93","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C44 H32 F4 N12 O4 -","4","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0863","0.0506","","","0.1146","0.1339","","","","","","1.042","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210745","3.851","0.0003","22.8635","0.0018","11.9533","0.0011","90","","92.229","0.007","90","","1051.66","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C44 H32 Br4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1195","0.057","","","0.1014","0.1166","","","","","","0.937","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210746","10.1207","0.0007","11.0228","0.0007","18.8469","0.0015","90","","90.255","0.006","90","","2102.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C88 H64 Cl8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0919","0.0817","","","0.1111","0.1411","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210747","5.8921","0.0001","27.1491","0.0004","6.401","0.0002","90","","109.455","0.002","90","","965.47","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C44 H32 F4 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1093","0.071","","","0.1209","0.1317","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210748","11.7158","0.0011","3.8018","0.0004","10.9082","0.001","90","","100.377","0.007","90","","477.92","0.08","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C22 H16 F2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0907","0.0584","","","0.0973","0.1052","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210749","5.8575","0.0001","7.3767","0.0001","13.3668","0.0002","101.59","0.001","96.747","0.001","110.547","0.001","518.551","0.015","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br N3 O -","- C11 H8 Br N3 O -","- C22 H16 Br2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0266","0.0235","","","0.059","0.06","","","","","","1.079","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210750","5.8668","0.0005","7.2831","0.0007","13.1604","0.001","101.762","0.007","96.668","0.006","110.602","0.006","504.37","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl N3 O -","- C11 H8 Cl N3 O -","- C22 H16 Cl2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.1012","0.0617","","","0.1321","0.1458","","","","","","0.997","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210751","5.976","0.0004","23.928","0.002","13.3223","0.001","90","","93.047","0.006","90","","1902.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 F N3 O -","- C11 H8 F N3 O -","- C88 H64 F8 N24 O8 -","8","2","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0921","0.0751","","","0.0918","0.1112","","","","","","1.021","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210752","5.9838","0.0008","7.5827","0.0011","11.0466","0.0012","83.44","0.01","85.331","0.01","69.289","0.011","465.31","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C22 H18 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tehrani, Alireza Azhdari","Effect of halogen bonding interaction on supramolecular assembly of halogen-substituted phenylpyrazinamides","CrystEngComm","2013","15","16","3222","","10.1039/c3ce40093j","","","0.71073","MoKα","","0.0903","0.0382","","","0.0713","0.0804","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210753","16.3306","0.0003","8.9356","0.0003","8.2884","0.0002","90","","90","","90","","1209.47","0.05","298","","298","","","","","","","","","7","I m a 2","I 2 -2a","46","","","","- C4 H8 Al Cu F5 N8 O -","- C4 H8 Al Cu F5 N8 O -","- C16 H32 Al4 Cu4 F20 N32 O4 -","4","0.5","","Cadiau, Amandine; Auguste, Sandy; Taulelle, Francis; Martineau, Charlotte; Adil, Karim","Hydrothermal synthesis, ab-initio structure determination and NMR study of the first mixed Cu‒Al fluorinated MOF","CrystEngComm","2013","15","17","3430","","10.1039/c3ce40099a","powder diffraction","","1.5418","CuKα","","","","","","","","","5.7535","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210754","9.4237","0.0004","7.8685","0.0004","19.5593","0.001","90","","90","","90","","1450.33","0.12","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0457","0.039","","","0.1072","0.1122","","","","","","1.069","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210755","10.5091","0.0002","9.4298","0.0002","15.1828","0.0005","90","","90","","90","","1504.6","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0453","0.0408","","","0.1103","0.1144","","","","","","1.034","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7210756","12.1758","0.0005","9.4952","0.0005","12.9071","0.0007","90","","90","","90","","1492.21","0.13","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0532","0.0381","","","0.091","0.0988","","","","","","1.08","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210757","9.4117","0.0004","7.7523","0.0003","20.2204","0.0007","90","","90","","90","","1475.33","0.1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0421","0.0377","","","0.094","0.0968","","","","","","1.066","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210758","4.7762","0.0001","13.3736","0.0003","13.9528","0.0003","90","","92.396","0.001","90","","890.46","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0421","0.0356","","","0.0868","0.0903","","","","","","1.057","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210759","13.5119","0.0006","9.7785","0.0004","6.7775","0.0003","90","","99.459","0.003","90","","883.31","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0457","0.0394","","","0.0945","0.0992","","","","","","1.089","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210760","9.6701","0.0005","9.2755","0.0004","19.8362","0.0011","90","","90","","90","","1779.21","0.16","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C72 H64 F24 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0477","0.0424","","","0.1163","0.1205","","","","","","1.068","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210761","9.509","0.005","9.299","0.005","16.435","0.009","90","","90","","90","","1453.3","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0702","0.0452","","","0.1125","0.1502","","","","","","1.109","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210762","7.4896","0.001","9.7758","0.0013","10.3578","0.0013","88.856","0.006","85.667","0.006","75.912","0.007","733.45","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C32 H32 F4 N4 O4 -","4","2","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0544","0.0501","","","0.1562","0.16","","","","","","1.128","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7210763","9.783","0.0006","9.5402","0.0006","15.4045","0.0009","90","","90","","90","","1437.73","0.15","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0496","0.041","","","0.1248","0.1474","","","","","","1.127","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210764","10.9014","0.0005","9.9282","0.0004","13.308","0.0006","90","","90","","90","","1440.34","0.11","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H8 F N O -","- C8 H8 F N O -","- C64 H64 F8 N8 O8 -","8","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0433","0.0359","","","0.0924","0.0972","","","","","","1.087","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210765","11.352","0.0003","8.9766","0.0003","8.9705","0.0003","90","","98.02","0.002","90","","905.17","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0435","0.0359","","","0.0901","0.0943","","","","","","1.061","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210766","12.8863","0.0006","10.0799","0.0005","6.9999","0.0004","90","","103.892","0.003","90","","882.64","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0525","0.0481","","","0.134","0.1377","","","","","","1.135","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210767","5.0567","0.0003","11.6521","0.0005","14.6968","0.0007","90","","91.565","0.003","90","","865.63","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 F3 N O -","- C9 H8 F3 N O -","- C36 H32 F12 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Quantitative insights into energy contributions of intermolecular interactions in fluorine and trifluoromethyl substituted isomeric N-phenylacetamides and N-methylbenzamides","CrystEngComm","2013","15","18","3711","","10.1039/c3ce40111a","","","0.71073","MoKα","","0.0511","0.0406","","","0.1042","0.1105","","","","","","1.103","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7210768","17.1365","0.0014","17.9392","0.0015","18.5138","0.0015","104.378","0.003","102.328","0.003","110.919","0.003","4854.1","0.7","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H128 Cl10 La2 N28 O57 Zn2 -","- C42 H42 Cl10 La2 N28 O26 Zn2 -","- C84 H84 Cl20 La4 N56 O52 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0743","0.0512","","","0.1249","0.1342","","","","","","0.945","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210769","26.473","0.004","18.878","0.003","19.864","0.003","90","","104.752","0.004","90","","9600","3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H49 Cl5 N14 O21 Yb Zn -","- C21 H21 Cl5 N14 O12 Yb Zn -","- C168 H168 Cl40 N112 O96 Yb8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0712","0.0598","","","0.1815","0.1948","","","","","","1.11","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210770","26.2356","0.0012","18.6413","0.0009","19.8143","0.0009","90","","105.573","0.002","90","","9334.7","0.8","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H60 Cl5 Lu N14 O26.5 Zn -","- C21 H21 Cl5 Lu N14 O12 Zn -","- C168 H168 Cl40 Lu8 N112 O96 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0559","0.0462","","","0.1403","0.149","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210771","16.9138","0.0008","17.2483","0.0008","20.4015","0.0009","98.006","0.002","112.641","0.001","109.75","0.002","4915.2","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H116 Ce2 Cl10 N28 O51 Zn2 -","- C42 H42 Ce2 Cl10 N28 O26 Zn2 -","- C84 H84 Ce4 Cl20 N56 O52 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.064","0.0567","","","0.1719","0.1796","","","","","","1.097","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210772","16.8979","0.0014","17.2593","0.0015","20.3082","0.0017","98.015","0.003","112.613","0.003","109.997","0.003","4880.8","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H124 Cl10 N28 O55 Pr2 Zn2 -","- C42 H42 Cl10 N28 O26 Pr2 Zn2 -","- C84 H84 Cl20 N56 O52 Pr4 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.1","0.0892","","","0.2524","0.2679","","","","","","1.071","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210773","16.9105","0.001","17.314","0.001","20.3622","0.0018","98.271","0.002","112.638","0.003","109.941","0.002","4905.6","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H116 Cl10 N28 Nd2 O51 Zn2 -","- C42 H42 Cl10 N28 Nd2 O26 Zn2 -","- C84 H84 Cl20 N56 Nd4 O52 Zn4 -","2","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.074","0.0654","","","0.1968","0.2078","","","","","","1.106","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210774","26.2615","0.0014","18.7064","0.0011","20.178","0.0011","90","","105.513","0.002","90","","9551.5","0.9","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H55 Cl5 N14 O24 Sm Zn -","- C21 H21 Cl5 N14 O12 Sm Zn -","- C168 H168 Cl40 N112 O96 Sm8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0612","0.0527","","","0.1591","0.1647","","","","","","1.09","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210775","26.6201","0.0019","18.9954","0.0014","20.0385","0.0015","90","","104.03","0.002","90","","9830.4","1.3","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H58 Cl5 Gd N14 O25.5 Zn -","- C21 H21 Cl5 Gd N14 O12 Zn -","- C168 H168 Cl40 Gd8 N112 O96 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0515","0.0436","","","0.1244","0.1297","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210776","26.375","0.002","18.8405","0.0017","20.0249","0.0018","90","","104.69","0.003","90","","9625.5","1.4","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H58 Cl5 N14 O25.5 Tb Zn -","- C21 H21 Cl5 N14 O12 Tb Zn -","- C168 H168 Cl40 N112 O96 Tb8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0564","0.0488","","","0.1468","0.1541","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210777","26.4821","0.0016","18.9227","0.0012","19.9297","0.0013","90","","104.577","0.002","90","","9665.5","1.1","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H64 Cl5 Er N14 O28.5 Zn -","- C21 H21 Cl5 Er N14 O12 Zn -","- C168 H168 Cl40 Er8 N112 O96 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0718","0.0594","","","0.1746","0.1873","","","","","","1.154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210778","26.4242","0.0016","18.8983","0.0011","19.8907","0.0011","90","","104.698","0.002","90","","9607.8","1","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H58 Cl5 N14 O25.5 Tm Zn -","- C21 H21 Cl5 N14 O12 Tm Zn -","- C168 H168 Cl40 N112 O96 Tm8 Zn8 -","8","1","","Liang, Li-Li; Zhao, Yi; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang; Liu, Jing-Xin","Coordination nanotubes self-assembled from cucurbit[7]uril and lanthanide cations","CrystEngComm","2013","15","19","3943","","10.1039/c3ce40147b","","","0.71073","MoKα","","0.0718","0.0606","","","0.1817","0.1911","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210779","17.9776","0.0002","17.9776","0.0002","22.3567","0.0003","90","","90","","90","","7225.55","0.15","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H24 Co N4 O14 S2 -","- C32 H24 Co N4 O14 S2 -","- C256 H192 Co8 N32 O112 S16 -","8","0.5","","Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel","Thermal stability and crystallochemical analysis for CoII-based coordination polymers with TPP and TPPS porphyrins","CrystEngComm","2013","15","20","4181","","10.1039/c3ce40161h","","","1.54184","CuKα","","0.0856","0.0669","","","0.1845","0.204","","","","","","1.051","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210780","25.1252","0.0004","11.7811","0.0002","23.979","0.0004","90","","93.596","0.001","90","","7083.9","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C98 H65.56 Co1.22 N10 -","- C98 H65.56 Co1.22 N10 -","- C392 H262.24 Co4.88 N40 -","4","0.5","","Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel","Thermal stability and crystallochemical analysis for CoII-based coordination polymers with TPP and TPPS porphyrins","CrystEngComm","2013","15","20","4181","","10.1039/c3ce40161h","","","1.5418","CuKα","","0.0438","0.0416","","","0.1095","0.1115","","","","","","1.056","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210781","8.706","0.003","21.861","0.008","10.073","0.004","90","","103.923","0.003","90","","1860.8","1.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O7 Zn -","- C18 H15 N3 O6.419 Zn -","- C72 H60 N12 O25.676 Zn4 -","4","1","","Xing, Feifei; Jia, Juan; Liu, Licong; Zhong, Lina; Shao, Min; Bai, Yue-ling; Zhao, Yongmei; Zhu, Shourong; He, Xiang; Li, Mingxing","Synthesis, structure and adsorption of coordination polymers constructed from 3,3′,5,5′-azobenzenetetracarboxylic acid and Zn ions","CrystEngComm","2013","15","24","4970","","10.1039/c3ce40174j","","","0.71073","MoKα","","0.087","0.0677","","","0.1914","0.2035","","","","","","1.097","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210782","13.8359","0.0019","12.997","0.0018","24.9","0.003","90","","118.689","0.006","90","","3928","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N5 O11 Zn2 -","- C31 H23 N5 O11 Zn2 -","- C124 H92 N20 O44 Zn8 -","4","1","","Xing, Feifei; Jia, Juan; Liu, Licong; Zhong, Lina; Shao, Min; Bai, Yue-ling; Zhao, Yongmei; Zhu, Shourong; He, Xiang; Li, Mingxing","Synthesis, structure and adsorption of coordination polymers constructed from 3,3′,5,5′-azobenzenetetracarboxylic acid and Zn ions","CrystEngComm","2013","15","24","4970","","10.1039/c3ce40174j","","","0.71073","MoKα","","0.2545","0.1193","","","0.3106","0.3961","","","","","","1.041","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210783","9.5593","0.0013","10.2131","0.0014","11.9424","0.0016","110.091","0.002","99.943","0.002","95.8","0.002","1062.2","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 N8 O20 Zn3 -","- C42 H30 N8 O20 Zn3 -","- C42 H30 N8 O20 Zn3 -","1","0.5","","Xing, Feifei; Jia, Juan; Liu, Licong; Zhong, Lina; Shao, Min; Bai, Yue-ling; Zhao, Yongmei; Zhu, Shourong; He, Xiang; Li, Mingxing","Synthesis, structure and adsorption of coordination polymers constructed from 3,3′,5,5′-azobenzenetetracarboxylic acid and Zn ions","CrystEngComm","2013","15","24","4970","","10.1039/c3ce40174j","","","0.71073","MoKα","","0.1288","0.0664","","","0.1432","0.1712","","","","","","0.868","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210784","14.8149","0.0018","54.114","0.006","9.2584","0.0012","90","","110.055","0.009","90","","6972.3","1.5","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C199 H219 N21 O61 Zn8 -","- C160 H80 N8 O48 Zn8 -","- C160 H80 N8 O48 Zn8 -","1","0.125","","Lalonde, Marianne B.; Getman, Rachel B.; Lee, Jeong Yong; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.; Georgiev, Peter A.; Embs, Jan P.; Eckert, Juergen; Farha, Omar K.; Snurr, Randall Q.; Hupp, Joseph T.","A zwitterionic metal‒organic framework with free carboxylic acid sites that exhibits enhanced hydrogen adsorption energies","CrystEngComm","2013","15","45","9408","","10.1039/c3ce40198g","","","1.54178","CuKα","","0.2304","0.0953","","","0.2167","0.2623","","","","","","0.622","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210785","9.2506","0.0006","14.4032","0.001","27.384","0.002","97.587","0.006","93.139","0.006","106.92","0.005","3443.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H59 Br N7 O18 Zn2 -","- C40 H24 Br N2 O13 Zn2 -","- C80 H48 Br2 N4 O26 Zn4 -","2","1","","Lalonde, Marianne B.; Getman, Rachel B.; Lee, Jeong Yong; Roberts, John M.; Sarjeant, Amy A.; Scheidt, Karl A.; Georgiev, Peter A.; Embs, Jan P.; Eckert, Juergen; Farha, Omar K.; Snurr, Randall Q.; Hupp, Joseph T.","A zwitterionic metal‒organic framework with free carboxylic acid sites that exhibits enhanced hydrogen adsorption energies","CrystEngComm","2013","15","45","9408","","10.1039/c3ce40198g","","","1.54178","CuKα","","0.1351","0.0903","","","0.2221","0.2452","","","","","","0.911","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210786","4.6628","0.0017","7.013","0.003","13.081","0.005","90","","90","","90","","427.8","0.3","293","2","293","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Br3 Hg2 I -","- Br3 Hg2 I -","- Br6 Hg4 I2 -","2","0.25","","Huang, Yin; Meng, Xianggao; Kang, Lei; Li, Yanjun; Zhong, Cheng; Lin, Zheshuai; Chen, Xingguo; Qin, Jingui","Hg2Br3I: a new mixed halide nonlinear optical material in the infrared region","CrystEngComm","2013","15","20","4196","","10.1039/c3ce40213d","","","0.71073","MoKα","","0.0407","0.0386","","","0.0983","0.099","","","","","","1.084","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210787","10.07","0.005","10.734","0.005","11.474","0.005","115.129","0.005","109.861","0.005","97.138","0.005","1002.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Co4 N4 O18 -","- C36 H52 Co4 N4 O18 -","- C36 H52 Co4 N4 O18 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0468","0.0395","","","0.1063","0.1106","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210788","10.2072","0.0009","10.7719","0.0007","11.5617","0.0008","114.506","0.007","109.613","0.007","97.489","0.006","1034.31","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Mn4 N4 O18 -","- C36 H52 Mn4 N4 O18 -","- C36 H52 Mn4 N4 O18 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71073","MoKα","","0.0887","0.0497","","","0.1178","0.1285","","","","","","0.919","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210789","12.706","0.005","13.774","0.005","14.198","0.005","79.814","0.005","69.227","0.005","79.861","0.005","2269.3","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H98 Co8 N8 O35 -","- C80 H98 Co8 N8 O35 -","- C80 H98 Co8 N8 O35 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0875","0.0504","","","0.1345","0.1524","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210790","12.722","0.003","13.796","0.003","14.181","0.003","79.7","0.03","68.75","0.03","80","0.03","2266.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H96 N8 O35 Zn8 -","- C80 H96 N8 O35 Zn8 -","- C80 H96 N8 O35 Zn8 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71073","MoKα","","0.0973","0.0554","","","0.1272","0.1485","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210791","14.726","0.005","16.062","0.005","10.163","0.005","90","0.005","123.115","0.005","90","0.005","2013.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H44 Co4 N4 O17 -","- C34 H44 Co4 N4 O17 -","- C68 H88 Co8 N8 O34 -","2","0.25","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0733","0.0479","","","0.1101","0.1208","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210792","14.719","0.005","16.064","0.005","10.16","0.005","90","0.005","123.156","0.005","90","0.005","2011.2","1.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H44 N4 O17 Zn4 -","- C34 H44 N4 O17 Zn4 -","- C68 H88 N8 O34 Zn8 -","2","0.25","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0407","0.0302","","","0.0708","0.0748","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210793","10.507","0.005","10.58","0.005","10.725","0.005","101.281","0.005","108.121","0.005","90.551","0.005","1108","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Co4 N4 O19 -","- C36 H48 Co4 N4 O19 -","- C36 H48 Co4 N4 O19 -","1","0.5","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71069","MoKα","","0.0594","0.046","","","0.1403","0.1544","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210794","23.579","0.0011","9.9671","0.0002","20.2015","0.0018","90","","114.428","0.004","90","","4322.6","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Co2 N2 O8.7 -","- C19 H26 Co2 N2 O8.7 -","- C152 H208 Co16 N16 O69.6 -","8","1","","Chen, Huan-Huan; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties","CrystEngComm","2013","15","25","5168","","10.1039/c3ce40239h","","","0.71073","MoKα","","0.0889","0.0547","","","0.1458","0.1568","","","","","","0.934","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210795","8.447","0.004","11.013","0.006","14.285","0.006","107.72","0.03","100.94","0.02","97.82","0.03","1215.9","1.1","293","","293","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H24 N3 Ni O8 -","- C21.809 H22.427 N3 Ni O8 -","- C43.618 H44.854 N6 Ni2 O16 -","2","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","powder diffraction","","1.54051","X-ray","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210796","8.23","0.003","10.54","0.004","14.14","0.003","97.46","0.02","99.97","0.03","109.71","0.03","1113.6","0.7","298","2","298","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H17 N3 Ni O8 -","- C20 H17 N3 Ni O8 -","- C40 H34 N6 Ni2 O16 -","2","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","","","0.71073","MoKα","","0.1112","0.0717","","","0.1756","0.2121","","","","","","1.054","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210797","8.5403","0.0004","10.9818","0.0005","14.1674","0.0007","105.113","0.004","102.302","0.004","97.866","0.004","1226.97","0.11","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H27 N3 Ni O8 -","- C24 H27 N3 Ni O8 -","- C48 H54 N6 Ni2 O16 -","2","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","","","1.54184","CuKα","","0.0909","0.0748","","","0.1804","0.1958","","","","","","1.034","","","","has coordinates,has disorder","180438","2020-10-21","18:00:00",""
"7210798","8.8297","0.0001","7.4138","0.0001","29.8081","0.0004","90","","96.841","0.001","90","","1937.39","0.04","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 Ni O9 -","- C18 H19 N3 Ni O9 -","- C72 H76 N12 Ni4 O36 -","4","1","","Calderón-Casado, Ainhoa; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María-Isabel","Host‒guest chemistry of NiII coordination compounds with PDC and (py)2CO: reversible crystal-to-amorphous transformations induced by solvent exchange","CrystEngComm","2013","15","25","5134","","10.1039/c3ce40377g","","","1.54184","CuKα","","0.0449","0.0433","","","0.0982","0.0991","","","","","","1.097","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210799","12.5726","0.0019","13.341","0.002","13.473","0.004","102.989","0.002","109.678","0.002","108.726","0.002","1869.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H68 Cd2 Cl2 Cu4 N14 O18 -","- C72 H64 Cd2 Cl2 Cu4 N14 O18 -","- C72 H64 Cd2 Cl2 Cu4 N14 O18 -","1","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0471","0.0352","","","0.088","0.0949","","","","","","1.052","","","","has coordinates","180438","2020-10-21","18:00:00",""
"7210800","8.89","0.005","13.226","0.005","17.248","0.005","101.448","0.005","98.822","0.005","107.349","0.005","1847.6","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H64 Cd2 Cl2 Cu4 N14 O16 -","- C72 H64 Cd2 Cl2 Cu4 N14 O16 -","- C72 H64 Cd2 Cl2 Cu4 N14 O16 -","1","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.1187","0.1133","","","0.3239","0.3255","","","","","","1.089","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210801","8.09","0.005","27.992","0.005","17.987","0.005","90","0.005","90","0.005","90","0.005","4073","3","293","2","293","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C36 H32 Cd Cl Cu2 N7 O8 -","- C36 H32 Cd Cl Cu2 N7 O8 -","- C144 H128 Cd4 Cl4 Cu8 N28 O32 -","4","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0486","0.0357","","","0.0952","0.1023","","","","","","1.038","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210802","11.377","0.005","11.377","0.005","25.411","0.005","90","0.005","90","0.005","120","0.005","2848.4","1.9","293","2","293","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C38 H32 Cd Cu2 N10 O4 -","- C38 H32 Cd Cu2 N10 O4 -","- C114 H96 Cd3 Cu6 N30 O12 -","3","0.5","","Das, Lakshmi Kanta; Ghosh, Ashutosh","Structural diversity in the complexes based on a hetero-trimetallic Cu2Cd node and dicyanamide spacer: a hexanuclear cluster, a 1D stair polymer and a 1D zigzag chain as supramolecular isomers, and a 3D network","CrystEngComm","2013","15","45","9444","","10.1039/c3ce40382c","","","0.71073","MoKα","","0.0319","0.0291","","","0.0728","0.0743","","","","","","1.027","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210803","10.5123","0.0007","15.0065","0.001","15.3954","0.0016","113.108","0.003","107.716","0.003","98.386","0.002","2028","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H76 Cd Cl16 N24 O29 Zn4 -","- C36 H36 Cd Cl16 N24 O22 Zn4 -","- C36 H36 Cd Cl16 N24 O22 Zn4 -","1","0.5","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1177","0.1108","","","0.3192","0.3226","","","","","","1.129","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210804","15.1118","0.0008","15.5851","0.0008","17.0616","0.0012","64.897","0.002","80.888","0.002","81.757","0.001","3579.8","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cd Cl5 N24 O40 Y -","- C36 H36 Cd Cl5 N24 O16 Y -","- C72 H72 Cd2 Cl10 N48 O32 Y2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0769","0.0529","","","0.1393","0.1499","","","","","","0.964","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210805","15.14","0.0007","15.7332","0.0007","17.1707","0.0008","64.184","0.001","81.023","0.002","81.956","0.002","3624.8","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H94 Cd Cl5 N24 O41 Sm -","- C36 H36 Cd Cl5 N24 O16 Sm -","- C72 H72 Cd2 Cl10 N48 O32 Sm2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0575","0.0499","","","0.1428","0.1489","","","","","","1.064","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210806","15.164","0.0014","15.6132","0.0014","17.1565","0.0015","64.327","0.003","81.022","0.003","82.192","0.003","3605.5","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H96 Cd Cl5 Eu N24 O42 -","- C36 H36 Cd Cl5 Eu N24 O16 -","- C72 H72 Cd2 Cl10 Eu2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0568","0.0472","","","0.1327","0.1399","","","","","","1.089","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210807","15.136","0.003","15.719","0.003","17.189","0.003","64.678","0.006","80.911","0.006","81.763","0.006","3637.1","1.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H102 Cd Cl5 Gd N24 O45 -","- C36 H36 Cd Cl5 Gd N24 O16 -","- C72 H72 Cd2 Cl10 Gd2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0411","0.0365","","","0.098","0.1009","","","","","","1.053","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210808","15.101","0.006","15.634","0.006","17.21","0.007","64.686","0.013","80.871","0.014","81.896","0.013","3614","3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cd Cl5 N24 O40 Tb -","- C36 H36 Cd Cl5 N24 O16 Tb -","- C72 H72 Cd2 Cl10 N48 O32 Tb2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0874","0.0688","","","0.1703","0.1824","","","","","","0.946","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210809","15.1428","0.0019","15.569","0.002","17.119","0.002","64.842","0.004","80.884","0.005","81.789","0.004","3594.1","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H96 Cd Cl5 Dy N24 O42 -","- C36 H36 Cd Cl5 Dy N24 O16 -","- C72 H72 Cd2 Cl10 Dy2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0476","0.0415","","","0.1135","0.118","","","","","","1.047","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210810","15.135","0.003","15.617","0.003","17.079","0.004","64.87","0.008","80.916","0.008","81.719","0.008","3595.5","1.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H138 Cd Cl5 Ho N24 O63 -","- C36 H36 Cd Cl5 Ho N24 O16 -","- C72 H72 Cd2 Cl10 Ho2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1497","0.1247","","","0.3566","0.3823","","","","","","1.436","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210811","15.0779","0.0008","15.608","0.0008","17.0335","0.0009","65.006","0.002","81.067","0.002","81.602","0.002","3574.6","0.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cd Cl5 Er N24 O40 -","- C36 H36 Cd Cl5 Er N24 O16 -","- C72 H72 Cd2 Cl10 Er2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.047","0.0404","","","0.1086","0.1133","","","","","","1.028","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210812","15.127","0.004","15.586","0.005","17.087","0.005","65.083","0.01","80.892","0.012","81.824","0.012","3594.7","1.9","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H98 Cd Cl5 N24 O43 Tm -","- C36 H36 Cd Cl5 N24 O16 Tm -","- C72 H72 Cd2 Cl10 N48 O32 Tm2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0474","0.0411","","","0.1097","0.115","","","","","","1.064","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210813","15.076","0.003","15.57","0.003","17.006","0.004","64.892","0.007","80.96","0.007","81.779","0.007","3556.8","1.3","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H112 Cd Cl5 N24 O50 Yb -","- C36 H36 Cd Cl5 N24 O16 Yb -","- C72 H72 Cd2 Cl10 N48 O32 Yb2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1082","0.0896","","","0.2242","0.2432","","","","","","0.99","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210814","15.064","0.01","15.606","0.01","16.975","0.011","64.896","0.018","80.645","0.019","81.17","0.019","3550","4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H138 Cd Cl5 Lu N24 O63 -","- C36 H36 Cd Cl5 Lu N24 O16 -","- C72 H72 Cd2 Cl10 Lu2 N48 O32 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1358","0.08","","","0.2253","0.2513","","","","","","1.067","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210815","10.4581","0.0011","26.99","0.003","29.15","0.003","90","","94.84","0.003","90","","8198.7","1.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H116 Cl10 N24 O52 Sm2 Zn2 -","- C36 H36 Cl10 N24 O22 Sm2 Zn2 -","- C144 H144 Cl40 N96 O88 Sm8 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.145","0.1112","","","0.3127","0.3369","","","","","","1.153","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210816","10.3737","0.0018","27.124","0.005","29.044","0.005","90","","95.595","0.006","90","","8133","2","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H98 Cl10 Eu2 N24 O43 Zn2 -","- C36 H36 Cl10 Eu2 N24 O22 Zn2 -","- C144 H144 Cl40 Eu8 N96 O88 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0669","0.0524","","","0.1541","0.1615","","","","","","1.07","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210817","10.38","0.002","26.98","0.005","29.004","0.005","90","","95.53","0.006","90","","8085","3","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H94 Cl10 Gd2 N24 O41 Zn2 -","- C36 H36 Cl10 Gd2 N24 O22 Zn2 -","- C144 H144 Cl40 Gd8 N96 O88 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.09","0.0648","","","0.192","0.2065","","","","","","1.044","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210818","10.3566","0.0009","27.003","0.003","28.938","0.003","90","","95.463","0.003","90","","8056","1.4","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H124 Cl10 N24 O56 Tb2 Zn2 -","- C36 H36 Cl10 N24 O22 Tb2 Zn2 -","- C144 H144 Cl40 N96 O88 Tb8 Zn8 -","4","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1098","0.096","","","0.2589","0.2689","","","","","","1.048","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210819","12.166","0.004","19.686","0.006","14.752","0.005","90","","112.805","0.009","90","","3256.9","1.8","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H72 Cl6 Dy2 N24 O30 -","- C36 H36 Cl6 Dy2 N24 O24 -","- C72 H72 Cl12 Dy4 N48 O48 -","2","0.5","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0295","0.0265","","","0.0713","0.0729","","","","","","1.044","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210820","12.306","0.0007","20.5511","0.0012","13.7026","0.0007","90","","95.421","0.002","90","","3449.9","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H74 Cl8 N24 O29 Zn2 -","- C36 H36 Cl8 N24 O16 Zn2 -","- C72 H72 Cl16 N48 O32 Zn4 -","2","0.5","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0564","0.0433","","","0.1233","0.1303","","","","","","1.101","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210821","15.31","0.02","15.81","0.02","17.28","0.02","64.156","0.015","81.043","0.017","81.527","0.017","3704","8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H100 Cl5 Ho N24 O44 Zn -","- C36 H36 Cl5 Ho N24 O17 Zn -","- C72 H72 Cl10 Ho2 N48 O34 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.1101","0.0677","","","0.1657","0.1841","","","","","","0.949","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210822","15.142","0.002","15.54","0.002","16.992","0.002","63.894","0.005","80.645","0.005","81.604","0.005","3530.1","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H92 Cl5 Er N24 O40 Zn -","- C36 H36 Cl5 Er N24 O16 Zn -","- C72 H72 Cl10 Er2 N48 O32 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0624","0.0536","","","0.142","0.1484","","","","","","1.037","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210823","15.1322","0.0015","15.5741","0.0015","16.9621","0.0016","64.032","0.004","81.003","0.004","81.418","0.004","3535","0.6","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H94 Cl5 N24 O41 Tm Zn -","- C36 H36 Cl5 N24 O17 Tm Zn -","- C72 H72 Cl10 N48 O34 Tm2 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0778","0.0602","","","0.1488","0.1583","","","","","","0.956","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210824","15.138","0.002","15.585","0.002","16.967","0.002","64.023","0.005","80.796","0.005","81.44","0.006","3538.2","0.8","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H94 Cl5 N24 O41 Yb Zn -","- C36 H36 Cl5 N24 O17 Yb Zn -","- C72 H72 Cl10 N48 O34 Yb2 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.057","0.0486","","","0.1435","0.1489","","","","","","1.049","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210825","15.1379","0.001","15.6777","0.0011","16.9861","0.0012","63.936","0.002","80.761","0.002","81.111","0.002","3558.3","0.4","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H100 Cl5 Lu N24 O44 Zn -","- C36 H36 Cl5 Lu N24 O16 Zn -","- C72 H72 Cl10 Lu2 N48 O32 Zn2 -","2","1","","Zhao, Yi; Liang, Li-Li; Chen, Kai; Zhang, Ting; Xiao, Xin; Zhang, Yun-Qian; Tao, Zhu; Xue, Sai-Feng; Zhu, Qian-Jiang","Inorganic anion-aided coordination of lanthanide metal ions to cucurbituril and supramolecular self-assembly: potential applications in the separation of light lanthanides","CrystEngComm","2013","15","39","7987","","10.1039/c3ce40568k","","","0.71073","MoKα","","0.0526","0.0454","","","0.1187","0.1238","","","","","","0.998","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210826","28.7527","0.0001","28.7527","0.0001","35.4316","0.0002","90","","90","","90","","29291.9","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","I 4/m","-I 4","87","UHM-7","","","- C228 H120 Cu12 N8 O61 Si6 -","- C228 H120 Cu12 N8 O61 Si6 -","- C912 H480 Cu48 N32 O244 Si24 -","4","0.25","","Frahm, Daniela; Hoffmann, Frank; Fröba, Michael","Linker extensions in metal‒organic frameworks: a way to isoreticular networks or new topologies?","CrystEngComm","2013","15","45","9429","","10.1039/c3ce40594j","","","1.54178","CuKα","","0.1309","0.1159","","","0.3455","0.3876","","","","","","1.791","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210827","7.0933","0.0006","16.2066","0.0011","8.8042","0.0007","90","","93.749","0.003","90","","1009.95","0.14","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H17 Cl N2 O2 -","- C7 H17 Cl N2 O2 -","- C28 H68 Cl4 N8 O8 -","4","1","","Rotival, Romain; Corvis, Yohann; Cartigny, Yohann; Négrier, Philippe; Marchivie, Mathieu; Massip, Stéphane; Gana, Inès; Lemoine, Pascale; Espeau, Philippe","Comprehensive determination of the solid state stability of bethanechol chloride active pharmaceutical ingredient using combined analytical tools","CrystEngComm","2013","15","39","7970","","10.1039/c3ce40707a","","","1.5418","CuKα","","0.0838","0.0739","","","0.1797","0.1921","","","","","","1.002","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210828","7.9283","0.0001","13.373","0.0002","15.2752","0.0002","90","","102.284","0.001","90","","1582.48","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 Cd N12 O2 -","- C8 H22 Cd N12 O2 -","- C32 H88 Cd4 N48 O8 -","4","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0372","0.0326","","","0.0841","0.087","","","","","","0.968","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210829","6.3061","0.0009","6.9947","0.001","7.908","0.0012","76.149","0.005","74.174","0.005","69.324","0.005","309.99","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H14 Mn N8 O6 -","- C4 H14 Mn N8 O6 -","- C4 H14 Mn N8 O6 -","1","0.5","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.042","0.0417","","","0.1185","0.1188","","","","","","1.123","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210830","7.7533","0.0003","13.1193","0.0005","15.5043","0.0006","90","","99.829","0.003","90","","1553.92","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H22 N12 O2 Zn -","- C8 H18 N12 O2 Zn -","- C32 H72 N48 O8 Zn4 -","4","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.113","0.0732","","","0.193","0.2221","","","","","","1.056","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210831","11.892","0.0003","7.2477","0.0002","14.5382","0.0004","90","","98.479","0.002","90","","1239.35","0.06","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H34 Co N20 O6 -","- C12 H34 Co N20 O6 -","- C24 H68 Co2 N40 O12 -","2","0.5","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0796","0.0673","","","0.198","0.2087","","","","","","1.059","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210832","7.0262","0.0004","8.45","0.0005","12.2755","0.0009","103.213","0.004","97.971","0.004","105.3","0.003","668.83","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H18 Cu N12 -","- C8 H18 Cu N12 -","- C16 H36 Cu2 N24 -","2","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0379","0.0331","","","0.1033","0.1076","","","","","","1.055","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210833","8.8748","0.0003","25.091","0.0006","23.252","0.0007","90","","97.411","0.002","90","","5134.4","0.3","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H48 Mn2 N24 O6 -","- C48 H48 Mn2 N24 O6 -","- C192 H192 Mn8 N96 O24 -","4","1","","Yang, Meng; OuYang, Zhen-Jie; Chen, Wen-Bin; Zhou, Rong-Fu; Li, Nan; Dong, Wen","Structures of six photochromic 3d complexes containing 3,3′-azobis-1,2,4-triazole ligand","CrystEngComm","2013","15","42","8529","","10.1039/c3ce40736e","","","0.71073","MoKα","","0.0702","0.0479","","","0.1087","0.1203","","","","","","1.016","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210834","15.0657","0.0003","9.2696","0.0002","28.1087","0.0006","90","","91.797","0.001","90","","3923.53","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 O12 -","- C38 H38 O12 -","- C152 H152 O48 -","4","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.1189","0.082","","","0.2526","0.2763","","","","","","1.052","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210835","32.8482","0.0013","7.0555","0.0002","25.7963","0.0018","90","","128.815","0.001","90","","4658.3","0.4","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C49 H36 O8 -","- C49 H36 O8 -","- C196 H144 O32 -","4","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0871","0.0609","","","0.1757","0.191","","","","","","1.052","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210836","7.8893","0.0002","9.9296","0.0002","11.9272","0.0003","74.725","0.001","81.357","0.001","83.184","0.001","888.03","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0538","0.0424","","","0.1159","0.1246","","","","","","1.035","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210837","12.0986","0.0004","20.2849","0.0005","11.2091","0.0003","90","","98.449","0.001","90","","2721.07","0.13","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 O9 -","- C30 H32 O9 -","- C120 H128 O36 -","4","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0753","0.0472","","","0.1236","0.1403","","","","","","1.001","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210838","13.0066","0.0005","8.3251","0.0003","8.5054","0.0003","90","","106.143","0.002","90","","884.66","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0607","0.0457","","","0.1384","0.1595","","","","","","1.078","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210839","10.6996","0.0004","10.814","0.0004","11.0347","0.0004","84.07","0.002","89.396","0.002","87.954","0.002","1269.1","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H30 O6 -","- C30 H30 O6 -","- C60 H60 O12 -","2","1","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0821","0.0512","","","0.1377","0.1573","","","","","","1.053","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210840","27.539","0.002","7.4754","0.0004","25.6914","0.0019","90","","90","","90","","5289","0.6","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C57 H52 O8 -","- C57 H52 O8 -","- C228 H208 O32 -","4","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.1466","0.0801","","","0.1819","0.2031","","","","","","1.002","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210841","4.97","0.0002","7.437","0.0003","7.9748","0.0004","85.355","0.002","82.615","0.002","75.241","0.002","282.32","0.02","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 O6 -","- C12 H14 O6 -","- C12 H14 O6 -","1","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0511","0.0454","","","0.133","0.1396","","","","","","1.06","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210842","15.6242","0.0012","8.155","0.0006","8.4742","0.0006","90","","96.557","0.002","90","","1072.68","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O4 -","- C28 H26 O4 -","- C56 H52 O8 -","2","0.5","","Chaumont, Clément; Mobian, Pierre; Kyritsakas, Nathalie; Henry, Marc","Synthesis, topology and energy analysis of crystalline resorcinol-based oligophenylene molecules with various symmetries","CrystEngComm","2013","15","34","6845","","10.1039/c3ce40761f","","","0.71073","MoKα","","0.0857","0.0517","","","0.132","0.1517","","","","","","1.045","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210843","28.1955","0.0019","14.1957","0.001","33.3812","0.0017","90","","135.955","0.003","90","","9288.9","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C85 H58 Mn7 N13 O50 -","- C85 H58 Mn7 N13 O50 -","- C340 H232 Mn28 N52 O200 -","4","0.5","","Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan","Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands","CrystEngComm","2013","15","35","7121","","10.1039/c3ce40772a","","","0.71073","MoKα","","0.0617","0.0418","","","0.1133","0.1286","","","","","","1.033","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210844","12.273","0.008","13.134","0.008","15.83","0.009","95.556","0.011","94.659","0.006","107.71","0.01","2403","3","386","2","386","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H29 Mn4 N9 O27 -","- C42 H29 Mn4 N9 O27 -","- C84 H58 Mn8 N18 O54 -","2","1","","Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan","Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands","CrystEngComm","2013","15","35","7121","","10.1039/c3ce40772a","","","0.71073","MoKα","","0.0931","0.0707","","","0.1552","0.1652","","","","","","1.024","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210845","21.2387","0.001","16.0539","0.0008","14.6979","0.0007","90","","108.837","0.001","90","","4743","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H41 Mn3 N8 O25 -","- C39 H41 Mn3 N8 O25 -","- C156 H164 Mn12 N32 O100 -","4","1","","Yang, Yuting; Tu, Changzheng; Cheng, Feixiang; Wang, Fan","Syntheses, structures, and magnetic properties of a series of Mn-containing coordination polymers based on 5-nitro-1,2,3-benzenetricarboxylic acid and different N-donor ligands","CrystEngComm","2013","15","35","7121","","10.1039/c3ce40772a","","","0.71073","MoKα","","0.0501","0.0357","","","0.0928","0.1057","","","","","","1.063","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210846","9.8523","0.0007","19.5244","0.0015","19.6699","0.0015","89.715","0.002","83.058","0.002","87.776","0.002","3753.1","0.5","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H78 Cd3 N4 O18 -","- C58 H78 Cd3 N4 O18 -","- C116 H156 Cd6 N8 O36 -","2","1","","Chaudhari, Abhijeet K.; Mukherjee, Soumya; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.","Bi-porous metal‒organic framework with hydrophilic and hydrophobic channels: selective gas sorption and reversible iodine uptake studies","CrystEngComm","2013","15","45","9465","","10.1039/c3ce40795k","","","0.71073","MoKα","","0.1223","0.0993","","","0.292","0.3074","","","","","","1.221","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210847","11.552","0.005","14.116","0.006","10.387","0.004","90","","96.412","0.007","90","","1683.2","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag4 N4 O6 S2 -","- C10 H8 Ag4 N4 O6 S2 -","- C40 H32 Ag16 N16 O24 S8 -","4","1","","Chen, Zhen; Zhang, Liangliang; Liu, Fuling; Wang, Rangming; Sun, Daofeng","Anion-controlled formation of two silver lamella frameworks based on in situ ligand reaction","CrystEngComm","2013","15","44","8877","","10.1039/c3ce40809d","","","0.71073","MoKα","","0.0402","0.0303","","","0.0813","0.0981","","","","","","1.135","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210848","10.0593","0.0019","23.506","0.005","7.2278","0.0014","90","","116.631","0.003","90","","1527.7","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag3 Cl N2 O4 S2 -","- C10 H8 Ag3 Cl N2 O4 S2 -","- C40 H32 Ag12 Cl4 N8 O16 S8 -","4","0.5","","Chen, Zhen; Zhang, Liangliang; Liu, Fuling; Wang, Rangming; Sun, Daofeng","Anion-controlled formation of two silver lamella frameworks based on in situ ligand reaction","CrystEngComm","2013","15","44","8877","","10.1039/c3ce40809d","","","0.71073","MoKα","","0.0396","0.0296","","","0.0722","0.0782","","","","","","1.033","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210849","11.0165","0.0009","10.8877","0.0008","16.1364","0.0013","90","","104.391","0.008","90","","1874.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N2 O4 Zn -","- C21 H21 N2 O4 Zn -","- C84 H84 N8 O16 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.1107","0.0563","","","0.0779","0.0931","","","","","","0.891","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210850","11.1621","0.0005","11.0123","0.0005","16.2424","0.0009","90","","104.843","0.005","90","","1929.9","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cd N2 O4 -","- C21 H21 Cd N2 O4 -","- C84 H84 Cd4 N8 O16 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.036","0.0286","","","0.0692","0.0744","","","","","","1.069","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210851","9.2171","0.0018","10.278","0.002","17.086","0.005","90","","116.74","0.02","90","","1445.5","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 N4 O5 Zn -","- C32 H36 N4 O5 Zn -","- C64 H72 N8 O10 Zn2 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0622","0.0518","","","0.1078","0.1143","","","","","","1.012","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210852","9.0664","0.0018","10.293","0.002","17.46","0.005","90","","115.29","0.02","90","","1473.2","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 Cd N4 O5 -","- C32 H36 Cd N4 O5 -","- C64 H72 Cd2 N8 O10 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.031","0.0291","","","0.0646","0.0658","","","","","","1.09","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210853","11.922","0.002","14.355","0.003","13.754","0.003","90","","100.06","0.03","90","","2317.7","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N2 O5 Zn -","- C25 H21 N2 O5 Zn -","- C100 H84 N8 O20 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0641","0.052","","","0.147","0.1643","","","","","","0.901","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210854","12.224","0.002","13.993","0.003","14.16","0.003","90","","99.42","0.03","90","","2389.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cd N2 O5 -","- C25 H21 Cd N2 O5 -","- C100 H84 Cd4 N8 O20 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0402","0.034","","","0.0845","0.0944","","","","","","1.163","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210855","14.083","0.003","14.906","0.003","16.326","0.003","97.91","0.03","95.29","0.03","95.71","0.03","3358.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H68 N8 O12 S2 Zn2 -","- C72 H68 N8 O12 S2 Zn2 -","- C144 H136 N16 O24 S4 Zn4 -","2","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.1506","0.095","","","0.2391","0.2903","","","","","","0.947","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210856","19.456","0.004","22","0.004","16.095","0.003","90","","99.83","0.03","90","","6788","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cd N4 O6 S -","- C36 H34 Cd N4 O6 S -","- C288 H272 Cd8 N32 O48 S8 -","8","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.1262","0.0786","","","0.1775","0.213","","","","","","0.995","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210857","10.981","0.002","10.867","0.002","16.101","0.003","90","","104.41","0.03","90","","1860.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N2 O4 Zn -","- C21 H21 N2 O4 Zn -","- C84 H84 N8 O16 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0565","0.0495","","","0.1018","0.1061","","","","","","1.066","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210858","9.2122","0.0018","10.31","0.002","17.092","0.005","90","","117.59","0.02","90","","1438.8","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 N4 O5 Zn -","- C32 H36 N4 O5 Zn -","- C64 H72 N8 O10 Zn2 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0814","0.0718","","","0.1624","0.1686","","","","","","1.164","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210859","9.0575","0.0018","10.338","0.002","17.427","0.005","90","","115.35","0.02","90","","1474.7","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H36 Cd N4 O5 -","- C32 H36 Cd N4 O5 -","- C64 H72 Cd2 N8 O10 -","2","0.5","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0538","0.0514","","","0.1109","0.1123","","","","","","1.132","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210860","11.936","0.002","14.277","0.003","13.726","0.003","90","","99.86","0.03","90","","2304.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N2 O5 Zn -","- C25 H21 N2 O5 Zn -","- C100 H84 N8 O20 Zn4 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0692","0.0625","","","0.1386","0.1432","","","","","","1.006","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210861","12.241","0.002","14.012","0.003","14.167","0.003","90","","99.53","0.03","90","","2396.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cd N2 O5 -","- C25 H21 Cd N2 O5 -","- C100 H84 Cd4 N8 O20 -","4","1","","Liu, Lu; Huang, Chao; Wang, Zhengchuang; Wu, Dongqing; Hou, Hongwei; Fan, Yaoting","Entangled Zn(ii)/Cd(ii) coordination complexes based on a flexible bis(methylbenzimidazole) ligand and different dicarboxylates","CrystEngComm","2013","15","35","7095","","10.1039/c3ce40823j","","","0.71073","MoKα","","0.0705","0.0539","","","0.1002","0.1105","","","","","","0.991","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210862","21.83","0.014","21.83","0.014","52.55","0.04","90","","90","","120","","21688","3","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H214 Cl2 N48 O95 Rb2 -","- C72 H72 Cl2.002 N48 O25 Rb2 -","- C432 H432 Cl12.012 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1603","0.0845","","","0.2539","0.2826","","","","","","0.959","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210863","21.7553","0.0014","21.7553","0.0014","52.07","0.004","90","","90","","120","","21343","3","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H210 Cl2 N48 O93 Rb2 -","- C72 H72 Cl2.002 N48 O25 Rb2 -","- C432 H432 Cl12.012 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1165","0.0708","","","0.212","0.2347","","","","","","0.951","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210864","21.755","0.005","21.755","0.005","52.173","0.009","90","","90","","120","","21384","8","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C72 H212 Cl2 N48 O94 Rb2 -","- C72 H72 Cl1.999 N48 O25 Rb2 -","- C432 H432 Cl11.994 N288 O150 Rb12 -","6","0.333333","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1237","0.0654","","","0.1793","0.1966","","","","","","0.906","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210865","21.879","0.008","21.879","0.008","52.67","0.04","90","","90","","120","","21835","2","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C144 H436 Cl4 N96 O194 Rb4 -","- C144 H144 Cl4 N96 O50 Rb4 -","- C432 H432 Cl12 N288 O150 Rb12 -","3","0.166667","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1532","0.0894","","","0.244","0.264","","","","","","0.915","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7210866","22.174","0.003","22.174","0.003","18.102","0.005","90","","90","","120","","7708","3","223","2","223","2","","","","","","","","7","P -3","-P 3","147","","","","- C144 H380 Cl24 In6 N96 Na2 O164 -","- C144 H144 Cl24 In6 N96 Na2 O66 -","- C144 H144 Cl24 In6 N96 Na2 O66 -","1","0.166667","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.0983","0.0603","","","0.1701","0.1829","","","","","","0.94","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210867","18.733","0.006","21.701","0.007","22.301","0.007","118.963","0.004","90.299","0.005","104.709","0.005","7584","4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C144 H446 Cl8 N96 O199 Sr4 -","- C144 H144 Cl8 N96 O70 Sr4 -","- C144 H144 Cl8 N96 O70 Sr4 -","1","0.5","","Ji, Ning-Ning; Cheng, Xiao-Jie; Liang, Li-Li; Xiao, Xin; Zhang, Yun-Qian; Xue, Sai-Feng; Tao, Zhu; Zhu, Qian-Jiang","The synthesis of networks based on the coordination of cucurbit[8]urils and alkali or alkaline earth ions in the presence of the polychloride transition-metal anions","CrystEngComm","2013","15","38","7709","","10.1039/c3ce40840j","","","0.71073","MoKα","","0.1384","0.0835","","","0.2258","0.2491","","","","","","0.968","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210868","20.0954","0.0003","29.8975","0.0005","24.9908","0.0004","90","","110.867","0.002","90","","14029.7","0.4","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C217.5 H259.5 Cl20 Cu10 N56.5 O30.5 -","- C217.5 H259.5 Cl20 Cu10 N56.5 O30.5 -","- C435 H519 Cl40 Cu20 N113 O61 -","2","1","","Zhang, Lu-Yin; Liu, Yu; Li, Kang; Pan, Mei; Yan, Cheng; Wei, Shi-Chao; Chen, Yong-Xin; Su, Cheng-Yong","Formation of 0D M5L2 helicate cage and 1D loop-and-chain complexes: stepwise assembly and catalytic activity","CrystEngComm","2013","15","35","7106","","10.1039/c3ce40845k","","","1.54178","CuKα","","0.1028","0.074","","","0.1983","0.2182","","","","","","1.011","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210869","12.6625","0.0007","12.7389","0.0007","15.6693","0.0007","91.249","0.004","102.326","0.004","108.969","0.005","2323.8","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H80 Cl16 Cu5 N20 O4 -","- C88 H80 Cl16 Cu5 N20 O4 -","- C88 H80 Cl16 Cu5 N20 O4 -","1","0.5","","Zhang, Lu-Yin; Liu, Yu; Li, Kang; Pan, Mei; Yan, Cheng; Wei, Shi-Chao; Chen, Yong-Xin; Su, Cheng-Yong","Formation of 0D M5L2 helicate cage and 1D loop-and-chain complexes: stepwise assembly and catalytic activity","CrystEngComm","2013","15","35","7106","","10.1039/c3ce40845k","","","1.54178","CuKα","","0.073","0.065","","","0.1822","0.1913","","","","","","1.022","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210870","4.697","0.0008","9.949","0.0014","15.105","0.002","103.05","0.012","92.105","0.013","96.701","0.013","681.48","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 Co N O7 -","- C14 H13 Co N O7 -","- C28 H26 Co2 N2 O14 -","2","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.1116","0.0625","","","0.0896","0.1133","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210871","4.911","0.0002","29.757","0.0011","10.197","0.0004","90","","103.639","0.004","90","","1448.13","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N Ni O8 -","- C14 H11 N Ni O8 -","- C56 H44 N4 Ni4 O32 -","4","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0695","0.0651","","","0.1665","0.1683","","","","","","1.251","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210872","8.413","0.0012","5.334","0.0007","13.284","0.0014","90","","97.52","0.013","90","","590.99","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H9 Cu N O5 -","- C14 H9 Cu N O5 -","- C28 H18 Cu2 N2 O10 -","2","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0737","0.0528","","","0.0926","0.106","","","","","","1.048","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210873","18.4215","0.0003","18.4215","0.0003","47.8464","0.0014","90","","90","","120","","14061.4","0.5","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10 Cd N O5.5 -","- C14 H9 Cd N O5.49667 -","- C504 H324 Cd36 N36 O197.88 -","36","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71073","MoKα","","0.0681","0.0417","","","0.1038","0.1209","","","","","","1.127","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210874","18.263","0.0014","18.263","0.0014","47.393","0.003","90","","90","","120","","13689.5","1.7","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10 Mn N O5.5 -","- C14 H9 Mn N O5.5 -","- C504 H324 Mn36 N36 O198 -","36","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.1583","0.0781","","","0.1788","0.2293","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210875","14.843","0.0004","9.53","0.0003","12.658","0.0004","90","","103.631","0.003","90","","1740.09","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Cu2 N4 O12 -","- C38 H30 Cu2 N4 O12 -","- C76 H60 Cu4 N8 O24 -","2","0.5","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0456","0.0349","","","0.0899","0.0967","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210876","7.916","0.0006","9.847","0.0006","12.377","0.0009","103.997","0.006","94.233","0.006","107.48","0.006","881.65","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Cd2 N4 O12 -","- C38 H30 Cd2 N4 O12 -","- C38 H30 Cd2 N4 O12 -","1","0.5","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0757","0.0486","","","0.0628","0.0734","","","","","","1.011","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210877","8.229","0.0004","9.735","0.0005","14.83","0.0008","89.604","0.004","76.115","0.004","65.898","0.005","1047.18","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Mn N3 O6 -","- C24 H19 Mn N3 O6 -","- C48 H38 Mn2 N6 O12 -","2","1","","Xu, Na; Yang, Jin; He, Yuan-Chun; Liu, Ying-Ying; Ma, Jian-Fang","Syntheses, structures, luminescent sensor, and magnetism of a series of coordination polymers constructed by 3-carboxy-1-(4′-carboxy-benzyl)-2-oxidopyridinium","CrystEngComm","2013","15","36","7360","","10.1039/c3ce40850g","","","0.71069","MoKα","","0.0618","0.0412","","","0.0838","0.0974","","","","","","1.024","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210878","29.716","0.006","18.584","0.004","22.937","0.005","90","","109.3","0.03","90","","11955","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C129 H155 Cd3 N3 O25 -","- C129 H151 Cd3 N3 O25 -","- C516 H604 Cd12 N12 O100 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0664","0.0605","","","0.1382","0.1418","","","","","","1.126","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210879","14.063","0.003","28.085","0.006","15.736","0.003","90","","109.45","0.03","90","","5860","2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H73 Cd N O10 -","- C59 H57 Cd O7 -","- C236 H228 Cd4 O28 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0616","0.0531","","","0.1304","0.1373","","","","","","1.106","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210880","31.277","0.006","17.558","0.004","23.629","0.005","90","","110.54","0.03","90","","12151","5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C131 H157 Co3 N5 O25 -","- C131 H154 Co3 N5 O25 -","- C524 H616 Co12 N20 O100 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.1067","0.0972","","","0.2416","0.2489","","","","","","1.147","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210881","32.199","0.004","17.4926","0.0019","23.786","0.003","90","","115.27","0.02","90","","12115","3","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C130 H152 Mn3 N4 O23 -","- C126 H140 Mn3 N4 O22 -","- C504 H560 Mn12 N16 O88 -","4","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0806","0.0722","","","0.1723","0.1808","","","","","","1.001","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210882","11.737","0.002","17.132","0.003","30.875","0.006","94.26","0.03","95.75","0.03","100.9","0.03","6038","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H156 N4 O22 Zn4 -","- C134 H154 N4 O22 Zn4 -","- C268 H308 N8 O44 Zn8 -","2","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.0691","0.0624","","","0.1449","0.1483","","","","","","1.098","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210883","16.765","0.003","28.419","0.006","11.636","0.002","90","","99.94","0.03","90","","5460.7","1.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H58 Cl N3 O11 Zn2 -","- C57 H38 Cl N3 O11 Zn2 -","- C228 H152 Cl4 N12 O44 Zn8 -","4","0.5","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Stepwise tuning of the substituent groups from mother BTB ligands to two hexaphenylbenzene based ligands for construction of diverse coordination polymers","CrystEngComm","2013","15","42","8511","","10.1039/c3ce40856f","","","0.71073","MoKα","","0.1206","0.1095","","","0.2682","0.2819","","","","","","1.161","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210884","24.585","0.005","13.726","0.002","23.486","0.004","90","","95.409","0.007","90","","7890","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C86 H74 Co3 N12 O18 -","- C86 H60 Co3 N12 O18 -","- C344 H240 Co12 N48 O72 -","4","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0737","0.0466","","","0.1151","0.1328","","","","","","1.019","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210885","24.1977","0.0017","13.9528","0.001","25.1006","0.0018","90","","96.677","0.002","90","","8417.1","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H62 Cd3 N10 O17 -","- C80 H56 Cd3 N10 O17 -","- C320 H224 Cd12 N40 O68 -","4","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0795","0.0714","","","0.1775","0.1817","","","","","","1.089","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210886","28.157","0.002","16.659","0.0012","14.5584","0.0011","90","","93.284","0.003","90","","6817.7","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 N6 O27 Zn4 -","- C56 H36 N6 O27 Zn4 -","- C224 H144 N24 O108 Zn16 -","4","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0723","0.0484","","","0.1375","0.1538","","","","","","1.064","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210887","9.6563","0.0006","14.3534","0.001","15.571","0.001","87.588","0.002","74.823","0.002","85.179","0.002","2075.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H66 Co7 N12 O38 -","- C84 H48 Co7 N12 O38 -","- C84 H48 Co7 N12 O38 -","1","0.5","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.052","0.0441","","","0.1205","0.1293","","","","","","1.046","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210888","10.1907","0.0004","10.2746","0.0004","13.2039","0.0006","80.321","0.001","81.001","0.001","66.278","0.001","1241.64","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N5 Ni O8 -","- C26 H16 N5 Ni O8 -","- C52 H32 N10 Ni2 O16 -","2","1","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.0462","0.0386","","","0.0988","0.1069","","","","","","1.068","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210889","8.0093","0.0008","9.0265","0.0009","22.4","0.002","86.845","0.004","85.477","0.004","68.016","0.003","1496.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 N4 O11 Zn -","- C31 H21 N4 O11 Zn -","- C62 H42 N8 O22 Zn2 -","2","1","","Zhao, Wen; Han, Jie; Tian, Ge; Zhao, Xiao-Li","Ancillary ligand-assisted structural diversity of six new MOFs with 5-(4-carboxybenzoylamino)-isophthalic acid: syntheses, crystal structures and photoluminescence properties","CrystEngComm","2013","15","37","7522","","10.1039/c3ce40858b","","","0.71073","MoKα","","0.1568","0.0757","","","0.1678","0.218","","","","","","1.008","","","","has coordinates,has disorder","180439","2020-10-21","18:00:00",""
"7210890","20.048","0.004","12.245","0.002","29.217","0.006","90","","108.84","0.03","90","","6788","3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 Cd N5 O6 -","- C39 H30 Cd N5 O6 -","- C312 H240 Cd8 N40 O48 -","8","1","","Liu, Gui-lei; Li, Hui","Auxiliary ligand-controlled supramolecular assembly of three Cd(ii) coordination polymers based on a (E)-3-(quinolin-4-yl) acrylic acid: syntheses, structures and photoluminescent properties","CrystEngComm","2013","15","34","6870","","10.1039/c3ce40864g","","","0.71073","MoKα","","0.1305","0.1142","","","0.2314","0.239","","","","","","1.186","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210891","15.5371","0.0006","15.4888","0.0006","9.0606","0.0004","90","","92.877","0.001","90","","2177.69","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cd N2 O5 -","- C24 H18 Cd N2 O5 -","- C96 H72 Cd4 N8 O20 -","4","1","","Liu, Gui-lei; Li, Hui","Auxiliary ligand-controlled supramolecular assembly of three Cd(ii) coordination polymers based on a (E)-3-(quinolin-4-yl) acrylic acid: syntheses, structures and photoluminescent properties","CrystEngComm","2013","15","34","6870","","10.1039/c3ce40864g","","","0.71073","MoKα","","0.0332","0.0236","","","0.0506","0.0554","","","","","","1.029","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210892","24.217","0.013","11.868","0.007","10.137","0.006","90","","102.156","0.008","90","","2848","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 Cd N4 O4 -","- C34 H24 Cd N4 O4 -","- C136 H96 Cd4 N16 O16 -","4","0.5","","Liu, Gui-lei; Li, Hui","Auxiliary ligand-controlled supramolecular assembly of three Cd(ii) coordination polymers based on a (E)-3-(quinolin-4-yl) acrylic acid: syntheses, structures and photoluminescent properties","CrystEngComm","2013","15","34","6870","","10.1039/c3ce40864g","","","0.71073","MoKα","","0.051","0.0458","","","0.1135","0.1186","","","","","","1.041","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210893","7.711","0.003","8.959","0.003","9.103","0.003","88.46","0.005","88.793","0.004","74.567","0.005","605.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N4 O8 Zn2 -","- C9 H8 N4 O7 Zn2 -","- C18 H16 N8 O14 Zn4 -","2","1","","Calahorro, Antonio J.; Salinas-Castillo, Alfonso; Seco, José Manuel; Zuñiga, Javier; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Luminescence and magnetic properties of three metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand","CrystEngComm","2013","15","38","7636","","10.1039/c3ce40869h","","","0.71069","MoKα","","0.0535","0.0415","","","0.1011","0.1098","","","","","","1.033","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210894","13.739","0.002","24.301","0.003","15.179","0.002","90","","90","","90","","5067.8","1.2","120","1","120","1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C27 H46 Co8 N18 O33 -","- C27 H9 Co8 N18 O25 -","- C108 H36 Co32 N72 O100 -","4","0.5","","Calahorro, Antonio J.; Salinas-Castillo, Alfonso; Seco, José Manuel; Zuñiga, Javier; Colacio, Enrique; Rodríguez-Diéguez, Antonio","Luminescence and magnetic properties of three metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand","CrystEngComm","2013","15","38","7636","","10.1039/c3ce40869h","","","0.71069","MoKα","","0.2517","0.0827","","","0.2059","0.2383","","","","","","0.581","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210895","14.061","0.006","5.039","0.002","19.598","0.008","90","","102.641","0.008","90","","1354.9","1","30","","30","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N3 O8 -","- C13 H9 N3 O8 -","- C52 H36 N12 O32 -","4","1","","Ford, Samantha J.; McIntyre, Garry J.; Johnson, Mark R.; Evans, Ivana Radosavljević","Structure and dynamics studies of the short strong hydrogen bond in the 3,5-dinitrobenzoic acid‒nicotinic acid molecular complex","CrystEngComm","2013","15","37","7576","","10.1039/c3ce40874d","","neutron","","thermalneutrons","","0.1958","0.0877","","","0.1417","0.1666","","","","","","1.089","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210896","14.061","0.006","5.039","0.002","19.598","0.008","90","","102.641","0.008","90","","1354.9","1","300","","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N3 O8 -","- C13 H9 N3 O8 -","- C52 H36 N12 O32 -","4","1","","Ford, Samantha J.; McIntyre, Garry J.; Johnson, Mark R.; Evans, Ivana Radosavljević","Structure and dynamics studies of the short strong hydrogen bond in the 3,5-dinitrobenzoic acid‒nicotinic acid molecular complex","CrystEngComm","2013","15","37","7576","","10.1039/c3ce40874d","","neutron","","thermalneutrons","","0.2548","0.0823","","","0.1166","0.1566","","","","","","0.964","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210897","6.0867","0.0002","31.3792","0.0008","8.2848","0.0002","90","","108.618","0.001","90","","1499.55","0.07","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H19 Na3 O16 P2 -","- H19 Na3 O16 P2 -","- H76 Na12 O64 P8 -","4","1","","Perras, Frédéric A.; Korobkov, Ilia; Bryce, David L.","NMR crystallography of sodium diphosphates: combining dipolar, shielding, quadrupolar, diffraction, and computational information","CrystEngComm","2013","15","43","8727","","10.1039/c3ce40875b","","","0.71073","MoKα","","0.0265","0.0255","","","0.0739","0.0746","","","","","","1.01","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210898","22.241","0.005","8.9299","0.0018","21.092","0.004","90","","116.253","0.007","90","","3757","1.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cu N3 O5 -","- C19 H19 Cu N3 O5 -","- C152 H152 Cu8 N24 O40 -","8","1","","Qiblawi, Sultan H.; Pochodylo, Amy L.; LaDuca, Robert L.","Divalent copper trans-1,4-cyclohexanedicarboxylate coordination polymers with isomeric dipyridylamide ligands: new pillared and self-penetrated binodal networks","CrystEngComm","2013","15","44","8979","","10.1039/c3ce40889b","","","0.71073","MoKα","","0.0529","0.0357","","","0.0717","0.0781","","","","","","1.016","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210899","10.3498","0.0007","10.8338","0.0008","20.2124","0.0015","84.101","0.001","78.486","0.001","76.172","0.001","2152.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H50 Cu2 N6 O16 -","- C38 H50 Cu2 N6 O16 -","- C76 H100 Cu4 N12 O32 -","2","1","","Qiblawi, Sultan H.; Pochodylo, Amy L.; LaDuca, Robert L.","Divalent copper trans-1,4-cyclohexanedicarboxylate coordination polymers with isomeric dipyridylamide ligands: new pillared and self-penetrated binodal networks","CrystEngComm","2013","15","44","8979","","10.1039/c3ce40889b","","","0.71073","MoKα","","0.0405","0.0329","","","0.0849","0.0896","","","","","","1.051","","","","has coordinates","180439","2020-10-21","18:00:00",""
"7210900","8.3395","0.0002","15.7388","0.0004","12.694","0.0004","90","","105.565","0.001","90","","1605.03","0.08","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H28 N8 O10 Zn2 -","- C30 H28 N8 O10 Zn2 -","- C60 H56 N16 O20 Zn4 -","2","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0401","0.0339","","","0.0782","0.0813","","","","","","1.045","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210901","9.4798","0.0012","10.1009","0.0012","11.1659","0.0014","96.353","0.006","111.398","0.005","99.654","0.005","964","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N5 O6 Zn -","- C18 H19 N5 O6 Zn -","- C36 H38 N10 O12 Zn2 -","2","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0827","0.0576","","","0.1523","0.169","","","","","","1.041","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210902","9.3228","0.0004","14.8745","0.0006","12.8792","0.0005","90","","102.712","0.002","90","","1742.21","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O6 Zn -","- C16 H16 N4 O6 Zn -","- C64 H64 N16 O24 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0633","0.0373","","","0.0961","0.1052","","","","","","1.068","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210903","8.4157","0.0005","16.7161","0.001","13.1197","0.0007","90","","90.98","0.002","90","","1845.38","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N4 O5 Zn -","- C17 H18 N4 O5 Zn -","- C68 H72 N16 O20 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0717","0.0439","","","0.1217","0.1346","","","","","","1.039","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210904","14.8499","0.0006","9.339","0.0004","35.7679","0.0015","90","","99.905","0.001","90","","4886.5","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 N4 O6 Zn -","- C25 H27 N4 O6 Zn -","- C200 H216 N32 O48 Zn8 -","8","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0748","0.0558","","","0.1247","0.131","","","","","","1.094","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210905","8.4539","0.0005","16.364","0.001","13.255","0.0008","90","","92.011","0.002","90","","1832.56","0.19","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br N4 O5 Zn -","- C16 H11 Br N4 O5 Zn -","- C64 H44 Br4 N16 O20 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0844","0.0527","","","0.16","0.1709","","","","","","1.089","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210906","9.5734","0.0004","10.1279","0.0004","11.314","0.0005","80.503","0.001","66.394","0.001","80.43","0.001","985.31","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 I N4 O7 Zn -","- C15 H15 I N4 O7 Zn -","- C30 H30 I2 N8 O14 Zn2 -","2","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0472","0.0371","","","0.0923","0.0969","","","","","","1.055","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210907","12.5177","0.0005","7.5794","0.0003","15.9998","0.0006","90","","111.745","0.002","90","","1409.99","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N6 O12 Zn2 -","- C23 H14 N6 O12 Zn2 -","- C46 H28 N12 O24 Zn4 -","2","0.5","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0713","0.0463","","","0.1289","0.143","","","","","","1.053","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210908","9.361","0.003","10.108","0.003","11.47","0.004","95.845","0.012","112.739","0.01","97.487","0.012","978.6","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H34 N14 O11 Zn2 -","- C33 H22 N14 O11 Zn2 -","- C33 H22 N14 O11 Zn2 -","1","0.5","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.0879","0.0562","","","0.1411","0.1574","","","","","","0.972","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210909","9.446","0.002","14.595","0.004","13.058","0.003","90","","99.624","0.008","90","","1774.9","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N7 O5 Zn -","- C15 H13 N7 O5 Zn -","- C60 H52 N28 O20 Zn4 -","4","1","","Sengupta, Satirtha; Ganguly, Sumi; Goswami, Arijit; Sukul, Pradip K.; Mondal, Raju","Identification of a robust and reproducible noncluster-type SBU: effect of coexistent groups on network topologies, helicity, and properties","CrystEngComm","2013","15","41","8353","","10.1039/c3ce40904j","","","0.71073","MoKα","","0.1824","0.0773","","","0.2065","0.2444","","","","","","1.172","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210910","62.779","0.007","62.779","0.007","62.779","0.007","90","","90","","90","","247425","5","100","2","100","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C23 H17 N O10 Zn2 -","- C21 H9 O10 Zn2 -","- C4032 H1728 O1920 Zn384 -","192","1","","Kim, Dongwook; Lah, Myoung Soo","Metal‒organic framework with two different types of rigid triscarboxylates: net topology and gas sorption behaviour","CrystEngComm","2013","15","45","9491","","10.1039/c3ce40929e","","","0.67","synchrotron","","0.1064","0.085","","","0.2807","0.3095","","","","","","1.188","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7210911","5.0243","0.0008","26.279","0.005","6.0065","0.001","90","","96.332","0.006","90","","788.2","0.2","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 N O S -","- C7 H9 N O S -","- C28 H36 N4 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0716","0.0468","","","0.1232","0.1484","","","","","","1.182","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210912","4.9534","0.0006","6.4415","0.0008","24.643","0.003","90","","90","","90","","786.29","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 N O S -","- C7 H9 N O S -","- C28 H36 N4 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0442","0.0361","","","0.086","0.0896","","","","","","1.156","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210913","5.1527","0.0006","12.1505","0.0016","16.292","0.002","84.04","0.004","88.391","0.004","78.975","0.004","995.7","0.2","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H36 F4 I2 N4 O4 S4 -","- C34 H36 F4 I2 N4 O4 S4 -","- C34 H36 F4 I2 N4 O4 S4 -","1","0.5","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0516","0.0328","","","0.0678","0.0754","","","","","","0.971","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210914","8.867","0.004","6.102","0.003","15.553","0.007","90","","103.913","0.011","90","","816.8","0.7","130","2","130","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C13 H9 F4 I2 N O S -","- C13 H9 F4 I2 N O S -","- C26 H18 F8 I4 N2 O2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Daly, Carla A.; O'Mahony, Graham E.; Maguire, Anita R.; Lawrence, Simon E.","Co-crystallisation through halogen bonding with racemic or enantiopure sulfinamides","CrystEngComm","2013","15","37","7571","","10.1039/c3ce40932e","","","0.71073","MoKα","","0.0355","0.032","","","0.0752","0.0769","","","","","","1.036","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210915","4.5847","0.0003","19.1307","0.0016","8.9047","0.0006","90","","90","","90","","781.02","0.1","100","2","100","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C5 H13 N3 O2 -","- C5 H13 N3 O2 -","- C20 H52 N12 O8 -","4","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","1.54184","CuKα","","0.0321","0.03","","","0.0873","0.0892","","","","","","1.101","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210916","6.7949","0.0005","4.5234","0.0003","12.2711","0.0009","90","","95.701","0.007","90","","375.3","0.05","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C5 H12 N2 O3 -","- C5 H12 N2 O3 -","- C10 H24 N4 O6 -","2","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","0.71073","MoKα","","0.0507","0.0455","","","0.1251","0.1294","","","","","","1.052","","","","has coordinates","288501","2023-12-22","13:20:51",""
"7210917","10.0368","0.0002","7.6417","0.00018","18.6502","0.0004","90","","96.082","0.002","90","","1422.39","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H43 N11 O3 S4 -","- C16 H43 N11 O3 S4 -","- C32 H86 N22 O6 S8 -","2","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","0.71073","MoKα","","0.0337","0.0267","","","0.0618","0.0656","","","","","","1.037","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210918","9.4441","0.0003","7.1099","0.0002","13.7207","0.0004","90","","94.022","0.003","90","","919.03","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H24 N8 O2 S4 -","- C8 H24 N8 O2 S4 -","- C16 H48 N16 O4 S8 -","2","0.5","","Taouss, Christina; Thomas, Lena; Jones, Peter G.","Packing principles for urea and thiourea solvates: structures of urea : morpholine (1 : 1), urea : 1,4-dioxane (1 : 1), thiourea : morpholine (4 : 3) and thiourea : 1,4-dioxane (4 : 1)","CrystEngComm","2013","15","34","6829","","10.1039/c3ce40933c","","","0.71073","MoKα","","0.038","0.028","","","0.0578","0.0607","","","","","","1.04","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210919","6.419","0.001","10.026","0.002","10.326","0.002","69.67","0.02","80.22","0.02","80.44","0.01","610","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","NaBA_BA_2H2O","","","- C8 H11 N4 Na O8 -","- C8 H11 N4 Na O8 -","- C16 H22 N8 Na2 O16 -","2","1","","Chierotti, Michele R.; Gaglioti, Katia; Gobetto, Roberto; Braga, Dario; Grepioni, Fabrizia; Maini, Lucia","From molecular crystals to salt co-crystals of barbituric acid via the carbonate ion and an improvement of the solid state properties","CrystEngComm","2013","15","37","7598","","10.1039/c3ce40938d","","","0.71073","MoKα","","0.0982","0.072","","","0.1847","0.2032","","","","","","0.991","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210920","14.686","0.005","16.19","0.002","10.926","0.003","90","","131.41","0.05","90","","1948.4","1.7","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","KBA_BA0.5_1.5H2O","","","- C12 H16 K2 N6 O12 -","- C12 H16 K2 N6 O12 -","- C48 H64 K8 N24 O48 -","4","0.5","","Chierotti, Michele R.; Gaglioti, Katia; Gobetto, Roberto; Braga, Dario; Grepioni, Fabrizia; Maini, Lucia","From molecular crystals to salt co-crystals of barbituric acid via the carbonate ion and an improvement of the solid state properties","CrystEngComm","2013","15","37","7598","","10.1039/c3ce40938d","","","0.7107","MoKα","","0.0799","0.0552","","","0.1382","0.1649","","","","","","0.924","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210921","51.935","0.007","11.828","0.003","12.781","0.003","90","","91.88","0.01","90","","7847","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","BA_KBA_2H2O","","","- C8 H11 K N4 O8 -","- C8 H10.6667 K N4 O8 -","- C192 H256 K24 N96 O192 -","24","3","","Chierotti, Michele R.; Gaglioti, Katia; Gobetto, Roberto; Braga, Dario; Grepioni, Fabrizia; Maini, Lucia","From molecular crystals to salt co-crystals of barbituric acid via the carbonate ion and an improvement of the solid state properties","CrystEngComm","2013","15","37","7598","","10.1039/c3ce40938d","","","0.71073","MoKα","","0.0729","0.0593","","","0.1687","0.1791","","","","","","1.081","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210922","7.8795","0.0016","9.76","0.002","13.612","0.003","90","","90","","90","","1046.8","0.4","105","2","105","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,5,7-triazabicyclo[4.4.0]dec-5-ene.oxalicacid","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium.hydrogen oxalate","","- C9 H15 N3 O4 -","- C9 H15 N3 O4 -","- C36 H60 N12 O16 -","4","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids","CrystEngComm","2013","15","36","7321","","10.1039/c3ce40960k","","","0.71073","MoKα","","0.0304","0.0278","","","0.0692","0.071","","","","","","1.038","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210923","7.014","0.003","12.065","0.005","17.179","0.007","90","","90.118","0.006","90","","1453.8","1","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,5,7-triazabicyclo[4.4.0]dec-5-ene.adipic acid","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium hydrogen adipate","","- C13 H23 N3 O4 -","- C13 H23 N3 O4 -","- C52 H92 N12 O16 -","4","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids","CrystEngComm","2013","15","36","7321","","10.1039/c3ce40960k","","","0.71073","MoKα","","0.0834","0.0533","","","0.1185","0.1329","","","","","","0.985","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210924","7.1832","0.0007","8.9257","0.0009","9.8008","0.001","71.298","0.001","75.374","0.001","81.203","0.001","574.13","0.1","105","2","105","2","","","","","","","","4","P -1","-P 1","2","1,5,7-triazabicyclo[4.4.0]dec-5-ene.glycolicacid","1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium.glycolate","","- C9 H19 N3 O4 -","- C9 H18.996 N3 O3.998 -","- C18 H37.992 N6 O7.996 -","2","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids","CrystEngComm","2013","15","36","7321","","10.1039/c3ce40960k","","","0.71073","MoKα","","0.0374","0.0335","","","0.0906","0.0942","","","","","","1.056","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210925","13.031","0.0006","13.031","0.0006","29.498","0.0016","90","","90","","120","","4337.9","0.4","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","AlPO STA-2, as-prepared","","","- C16 H24 Al12 N4 O50 P12 -","- C15.98 H24 Al12 N4 O49.98 P12 -","- C47.94 H72 Al36 N12 O149.94 P36 -","3","0.166667","","Seymour, Valerie R.; Eschenroeder, Eike C. V.; Castro, Maria; Wright, Paul A.; Ashbrook, Sharon E.","Application of NMR crystallography to the determination of the mechanism of charge-balancing in organocation-templated AlPO STA-2","CrystEngComm","2013","15","43","8668","","10.1039/c3ce40965a","","","1.54187","CuKα","","0.1716","0.1126","","","0.2973","0.3568","","","","","","1.25","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210926","17.87","0.002","17.87","0.002","7.7402","0.0009","90","","90","","90","","2471.7","0.5","150","2","150","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C48 H52 Cu F4 N12 O14 S -","- C48 H40 Cu F4 N12 O14 S -","- C96 H80 Cu2 F8 N24 O28 S2 -","2","0.25","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0703","0.0614","","","0.179","0.1855","","","","","","1.072","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210927","18.1493","0.0017","18.1493","0.0017","7.9703","0.0008","90","","90","","90","","2625.4","0.4","150","2","150","2","","","","","","","","7","P -4","P -4","81","","","","- C48 H48 Cd F4 N12 O12 S -","- C48 H40 Cd F4 N12 O12 S -","- C96 H80 Cd2 F8 N24 O24 S2 -","2","0.5","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0344","0.0336","","","0.0888","0.0895","","","","","","1.092","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210928","13.2254","0.0008","14.6731","0.0009","17.1748","0.001","98.663","0.002","109.9","0.001","103.784","0.002","2944","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H40 Cu N16 O8 S -","- C52 H40 Cu N16 O8 S -","- C104 H80 Cu2 N32 O16 S2 -","2","1","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.0701","0.0551","","","0.1436","0.1522","","","","","","1.046","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210929","30.708","0.002","6.6182","0.0005","19.1423","0.0015","90","","94.254","0.002","90","","3879.6","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Co N10 O14 S -","- C32 H34 Co N10 O14 S -","- C128 H136 Co4 N40 O56 S4 -","4","0.5","","Akhuli, Bidyut; Ghosh, Tamal Kanti; Ghosh, Pradyut","Effect of coordinating (‒CN) vs. non-coordinating (‒F) substituents in 3-pyridyl urea receptors toward second sphere sulfate recognition: selective crystallisation of CuSO4 from mixtures of competing anions/cations","CrystEngComm","2013","15","45","9472","","10.1039/c3ce40974k","","","0.71073","MoKα","","0.1035","0.0836","","","0.218","0.2396","","","","","","1.063","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210930","9.0686","0.0006","9.8673","0.0007","10.1779","0.0008","96.769","0.006","94.398","0.006","102.954","0.006","876.36","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H52 Co2 N8 O2 S6 Sn2 -","- C20 H52 Co2 N8 O2 S6 Sn2 -","- C20 H52 Co2 N8 O2 S6 Sn2 -","1","0.5","","Zeisler, Christoph; Näther, Christian; Bensch, Wolfgang","A new synthetic approach to force bond formation between a transition metal complex and a thiostannate anion: solvothermal synthesis and crystal structure of [Co2(cyclam)2Sn2S6]·2H2O","CrystEngComm","2013","15","44","8874","","10.1039/c3ce40976g","","","0.71073","MoKα","","0.0361","0.0268","","","0.052","0.0539","","","","","","1.044","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210931","12.395","0.003","18.092","0.004","14.144","0.003","90","","115.46","0.03","90","","2863.8","1.3","153.15","","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H74 Co2 N10 O33 P2 -","- C38 H74 Co2 N10 O33 P2 -","- C76 H148 Co4 N20 O66 P4 -","2","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0892","0.0611","","","0.1137","0.1273","","","","","","1.015","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210932","10.924","0.002","22.372","0.005","20.725","0.004","90","","90","","90","","5065","1.8","153.15","","153.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C38 H62 Cu2 N10 O27 P2 -","- C38 H62 Cu2 N10 O27 P2 -","- C152 H248 Cu8 N40 O108 P8 -","4","0.5","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.055","0.0462","","","0.1139","0.1186","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210933","12.387","0.003","18.193","0.004","14.163","0.003","90","","115.87","0.03","90","","2871.9","1.3","153.15","","153.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H74 N10 Ni2 O33 P2 -","- C38 H74 N10 Ni2 O33 P2 -","- C76 H148 N20 Ni4 O66 P4 -","2","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0998","0.0673","","","0.1197","0.1379","","","","","","1.064","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210934","11.359","0.002","14.395","0.003","14.726","0.003","90","","90","","90","","2407.9","0.8","153.15","0.02","153.15","0.02","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 Co N4 O13 P -","- C19 H27 Co N4 O13 P -","- C76 H108 Co4 N16 O52 P4 -","4","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0461","0.0382","","","0.078","0.0813","","","","","","0.998","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210935","11.272","0.002","14.383","0.003","14.72","0.003","90","","90","","90","","2386.5","0.8","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N4 Ni O13 P -","- C19 H27 N4 Ni O13 P -","- C76 H108 N16 Ni4 O52 P4 -","4","1","","Zhou, Pei; Yao, Jian-feng; Sheng, Chuan-fang; Li, Hui","A continuing tale of chirality: metal coordination extended axial chirality of 4,4′-bipy to 1D infinite chain under cooperation of a nucleotide ligand","CrystEngComm","2013","15","42","8430","","10.1039/c3ce40977e","","","0.71073","MoKα","","0.0516","0.0406","","","0.0897","0.0941","","","","","","0.993","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210936","24.117","0.005","7.1088","0.0014","19.077","0.004","90","","112.94","0.03","90","","3012","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H66 Co2 N2 O20 -","- C70 H46 Co2 N2 O20 -","- C140 H92 Co4 N4 O40 -","2","0.5","","Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao","Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework","CrystEngComm","2013","15","41","8273","","10.1039/c3ce41000e","","","0.71073","MoKα","","0.1658","0.0847","","","0.1764","0.2243","","","","","","1.047","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210937","18.4701","0.0016","44.767","0.005","7.2462","0.0008","90","","90","","90","","5991.5","1.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C70 H60 Cd2 N2 O17 -","- C70 H44 Cd2 N2 O17 -","- C280 H176 Cd8 N8 O68 -","4","0.5","","Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao","Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework","CrystEngComm","2013","15","41","8273","","10.1039/c3ce41000e","","","0.71073","MoKα","","0.1873","0.1115","","","0.223","0.2737","","","","","","1.05","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210938","9.9355","0.001","12.1661","0.0013","23.473","0.003","75.392","0.002","80.66","0.002","79.549","0.002","2679.7","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H46 Eu N2 O12 -","- C48 H24 Eu O9 -","- C96 H48 Eu2 O18 -","2","1","","Yu, Fan; Zhang, Yu-Min; Guo, Yan-Hua; Li, Ai-Hua; Yu, Guo-Xian; Li, Bao","Various crystal structures based on 4,4′-(diethynylanthracene-9,10-diyl) dibenzoic acid: from 0D dimer to 3D net framework","CrystEngComm","2013","15","41","8273","","10.1039/c3ce41000e","","","0.71073","MoKα","","0.0672","0.0511","","","0.1077","0.1132","","","","","","0.934","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210939","29.5937","0.0008","29.5937","0.0008","10.168","0.0005","90","","90","","90","","8905","0.6","296","2","296","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C66 H54 B2 F4 N8 O13 Zn3 -","- C66 H6 B2 F4 N8 O13 Zn3 -","- C264 H24 B8 F16 N32 O52 Zn12 -","4","0.25","","Zhou, Lian; Xue, Yun-Shan; Xu, Yan; Zhang, Jun; Du, Hong-Bin","Two photoluminescent metal‒organic frameworks based on a BODIPY-derived bipyridine ligand","CrystEngComm","2013","15","36","7315","","10.1039/c3ce41002a","","","0.71073","MoKα","","0.1001","0.0771","","","0.2233","0.2415","","","","","","1.1","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210940","25.4125","0.0008","25.4125","0.0008","19.8941","0.0012","90","","90","","120","","11126.3","0.8","291","2","291","2","","","","","","","","7","P 6/m","-P 6","175","","","","- C32 H27 B Cd F2 N4 O4 -","- C32 H27.65 B Cd F2 N4 O4 -","- C192 H165.9 B6 Cd6 F12 N24 O24 -","6","0.5","","Zhou, Lian; Xue, Yun-Shan; Xu, Yan; Zhang, Jun; Du, Hong-Bin","Two photoluminescent metal‒organic frameworks based on a BODIPY-derived bipyridine ligand","CrystEngComm","2013","15","36","7315","","10.1039/c3ce41002a","","","0.71073","MoKα","","0.0821","0.0585","","","0.1704","0.1816","","","","","","1.009","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210941","11.304","0.0002","19.5436","0.0004","11.8709","0.0002","90","","92.304","0.001","90","","2620.41","0.08","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Ag F6 N4 O4 Sb -","- C22 H23 Ag F6 N4 O4 Sb -","- C88 H92 Ag4 F24 N16 O16 Sb4 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0796","0.0468","","","0.1402","0.1634","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210942","11.2301","0.0006","19.192","0.0011","11.8597","0.0006","90","","92.214","0.002","90","","2554.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Ag F6 N4 O4 P -","- C22 H23 Ag F6 N4 O4 P -","- C88 H92 Ag4 F24 N16 O16 P4 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0823","0.0631","","","0.1737","0.1949","","","","","","1.054","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210943","11.403","0.003","12.604","0.004","20.686","0.005","89.498","0.015","89.662","0.015","84.312","0.016","2958.3","1.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H55 Ag2 F14 N8 O8 Sb2 -","- C52 H55 Ag2 F14 N8 O8 Sb2 -","- C104 H110 Ag4 F28 N16 O16 Sb4 -","2","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.1045","0.06","","","0.1652","0.1956","","","","","","1.125","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210944","11.3548","0.0005","20.4728","0.0007","12.5381","0.0004","90","","95.959","0.001","90","","2898.91","0.19","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Ag F6 N4 O4 P -","- C26 H28 Ag F6 N4 O4 P -","- C104 H112 Ag4 F24 N16 O16 P4 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0888","0.0604","","","0.1916","0.2156","","","","","","1.058","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210945","7.4347","0.0004","18.1183","0.001","15.1884","0.0009","90","","95.864","0.003","90","","2035.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Ag2 F12 N4 O5 Sb2 -","- C35 H32 Ag2 F12 N4 O5 Sb2 -","- C70 H64 Ag4 F24 N8 O10 Sb4 -","2","0.5","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0453","0.0395","","","0.1003","0.1051","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7210946","13.5994","0.0005","9.9972","0.0005","14.0444","0.0007","90","","90","","90","","1909.42","0.15","298","2","298","2","","","","","","","","7","P m n a","-P 2ac 2","53","","","","- C17 H16 Ag F6 N2 O3 P -","- C17 H16 Ag F6 N2 O3 P -","- C68 H64 Ag4 F24 N8 O12 P4 -","4","0.5","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0572","0.0505","","","0.1682","0.1744","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210947","7.1344","0.0002","9.0828","0.0003","16.2936","0.0006","90","","102.446","0.002","90","","1031.02","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C44 H48 N8 O8 -","4","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0427","0.0342","","","0.1229","0.1377","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210948","8.8137","0.0007","11.885","0.0004","12.882","0.0004","115.13","0.001","102.974","0.002","95.33","0.002","1163.07","0.11","275","2","275","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C52 H56 N8 O8 -","4","2","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.079","0.0524","","","0.1342","0.1524","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7210949","9.357","0.0006","9.7318","0.001","9.7501","0.0005","103.814","0.004","117.36","0.003","104.07","0.004","698.71","0.1","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C34 H28 N4 O4 -","2","1","","Niranjana, P.; Pati, Anita; Porwal, Suheel K.; Ramkumar, Venkatachalam; Gharpure, Santosh J.; Chand, Dillip Kumar","Coordination polymers via self-assembly of silver(i) and cis-bis-nitrile-oxa-bowl derivatives","CrystEngComm","2013","15","45","9623","","10.1039/c3ce41003j","","","0.71073","MoKα","","0.0717","0.0462","","","0.1128","0.1274","","","","","","1.04","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210950","26.359","0.005","15.14","0.003","20.434","0.004","90","","99.63","0.03","90","","8040","3","293","2","293","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C144 H124 Cl2 Cu10 Gd4 I8 N12 O46 -","- C144 H124 Cl2 Cu10 Gd4 I8 N12 O46 -","- C288 H248 Cl4 Cu20 Gd8 I16 N24 O92 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Three pillared-layer 3d‒4f heterometallic frameworks based on tetranuclear lanthanide clusters","CrystEngComm","2013","15","45","9504","","10.1039/c3ce41010b","","","0.71073","MoKα","","0.0654","0.0591","","","0.1419","0.1477","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210951","56.02","0.018","10.073","0.003","20.97","0.007","90","","106.13","0.005","90","","11367","6","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C100 H80 Cl2 Cu7 I5 La4 N8 O40 -","- C100 H80 Cl2 Cu7 I5 La4 N8 O40 -","- C400 H320 Cl8 Cu28 I20 La16 N32 O160 -","4","0.5","","Fang, Wei-Hui; Yang, Guo-Yu","Three pillared-layer 3d‒4f heterometallic frameworks based on tetranuclear lanthanide clusters","CrystEngComm","2013","15","45","9504","","10.1039/c3ce41010b","","","0.71073","MoKα","","0.0683","0.0526","","","0.1569","0.1977","","","","","","1.029","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210952","10.1624","0.0002","21.5001","0.0002","27.9291","0.0004","104.614","0.011","99.824","0.009","101.566","0.008","5625.3","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H80 Cu7 I6 La4 N8 Na O36 -","- C102 H80 Cu7 I6 La4 N8 Na O36 -","- C204 H160 Cu14 I12 La8 N16 Na2 O72 -","2","1","","Fang, Wei-Hui; Yang, Guo-Yu","Three pillared-layer 3d‒4f heterometallic frameworks based on tetranuclear lanthanide clusters","CrystEngComm","2013","15","45","9504","","10.1039/c3ce41010b","","","0.71073","MoKα","","0.0681","0.0556","","","0.1989","0.2106","","","","","","1.042","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210953","9.91","0.0007","16.4571","0.0011","10.5782","0.0007","90","","103.579","0.001","90","","1677","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 Cu2 I2 N4 -","- C12 H18 Cu2 I2 N4 -","- C48 H72 Cu8 I8 N16 -","4","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.036","0.0315","","","0.0849","0.0876","","","","","","1.069","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210954","4.2896","0.0009","10.405","0.002","12.346","0.003","110.327","0.003","95.585","0.003","92.3","0.003","512.66","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H9 Cu2 I2 N2 -","- C6 H9 Cu2 I2 N2 -","- C12 H18 Cu4 I4 N4 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0355","0.0315","","","0.0813","0.0852","","","","","","1.047","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210955","10.3645","0.0008","10.7637","0.0009","12.0346","0.001","106.935","0.0012","90.3554","0.0013","101.801","0.0011","1254.11","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0399","0.0304","","","0.0667","0.0716","","","","","","1.02","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210956","8.3121","0.0014","12.843","0.002","10.0096","0.0017","90","","90","","90","","1068.5","0.3","298","2","298","2","","","","","","","","5","P m m a","-P 2a 2a","51","","","","- C6 H5 Cu2 I2 N2 -","- C6 H5 Cu2 I2 N2 -","- C24 H20 Cu8 I8 N8 -","4","0.5","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0254","0.0229","","","0.0631","0.065","","","","","","1.045","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210957","7.7974","0.0016","9.6942","0.0019","11.209","0.002","115.68","0.003","101.089","0.003","109.236","0.003","662.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu I N4 -","- C12 H10 Cu I N4 -","- C24 H20 Cu2 I2 N8 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.038","0.031","","","0.0742","0.079","","","","","","1.009","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210958","43.528","0.014","4.1804","0.0013","24.057","0.007","90","","115.413","0.005","90","","3954","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Cu4 I4 N4 -","- C12 H10 Cu4 I4 N4 -","- C96 H80 Cu32 I32 N32 -","8","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0609","0.0381","","","0.0799","0.0898","","","","","","1.016","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210959","10.2669","0.0012","10.7531","0.0014","11.8781","0.0015","106.838","0.002","90.109","0.002","101.79","0.002","1226","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0293","0.0252","","","0.0688","0.0804","","","","","","1.154","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210960","10.2961","0.0009","10.7386","0.001","11.9132","0.001","106.768","0.001","90.207","0.001","101.726","0.001","1232.14","0.19","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0279","0.0249","","","0.0598","0.0632","","","","","","1.072","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210961","10.352","0.002","10.76","0.002","11.977","0.002","106.782","0.003","90.335","0.003","101.715","0.003","1247.7","0.4","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 Cu3 I3 N6 -","- C18 H27 Cu3 I3 N6 -","- C36 H54 Cu6 I6 N12 -","2","1","","Yuan, Shuai; Wang, Hua; Wang, Deng-Xu; Lu, Hai-Feng; Feng, Sheng-Yu; Sun, Di","Reactant ratio-modulated six new copper(i)‒iodide coordination complexes based on diverse [CumIm] aggregates and biimidazole linkers: syntheses, structures and temperature-dependent luminescence properties","CrystEngComm","2013","15","38","7792","","10.1039/c3ce41021h","","","0.71073","MoKα","","0.0398","0.0313","","","0.078","0.0892","","","","","","1.095","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210962","20.467","0.003","20.467","0.003","34.344","0.007","90","","90","","90","","14387","4","100","2","100","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C44 H50 Cu2 Mn2 N6 O21 -","- C44 H44 Cu2 Mn2 N6 O21 -","- C352 H352 Cu16 Mn16 N48 O168 -","8","1","","Grancha, Thais; Tourbillon, Clarisse; Ferrando-Soria, Jesús; Julve, Miguel; Lloret, Francesc; Pasán, Jorge; Ruiz-Pérez, Catalina; Fabelo, Oscar; Pardo, Emilio","Self-assembly of a chiral three-dimensional manganese(ii)‒copper(ii) coordination polymer with a double helical architecture","CrystEngComm","2013","15","45","9312","","10.1039/c3ce41022f","","x-ray","0.7379","monocromaticsynchrotron","","0.0842","0.0788","","","0.2218","0.2274","","","","","","1.07","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210963","7.8765","0.0007","8.8951","0.0008","9.798","0.0009","111.508","0.008","96.724","0.007","103.525","0.008","605.15","0.11","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0412","0.0341","","","0.0864","0.0907","","","","","","1.042","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210964","7.8111","0.0003","9.2247","0.0004","9.9092","0.0004","112.132","0.004","94.384","0.003","105.209","0.003","625.84","0.05","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Br N2 O -","- C13 H13 Br N2 O -","- C26 H26 Br2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.058","0.0468","","","0.0929","0.0962","","","","","","1.094","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210965","10.087","0.002","18.483","0.004","7.299","0.002","90","","103.53","0.03","90","","1323","0.6","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 I N2 O -","- C13 H13 I N2 O -","- C52 H52 I4 N8 O4 -","4","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0905","0.0385","","","0.0663","0.0753","","","","","","0.858","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210966","7.0907","0.001","9.6958","0.0009","10.6145","0.0012","98.732","0.009","101.034","0.011","110.132","0.011","653.46","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Cl N2 O -","- C14 H15 Cl N2 O -","- C28 H30 Cl2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0507","0.0407","","","0.1067","0.1146","","","","","","1.043","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210967","7.1357","0.0009","9.8039","0.0014","10.6502","0.0017","73.234","0.013","79.126","0.013","69.98","0.012","666.93","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 Br N2 O -","- C14 H15 Br N2 O -","- C28 H30 Br2 N4 O2 -","2","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.08","0.0497","","","0.0957","0.1086","","","","","","0.991","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210968","10.996","0.0011","18.6186","0.0017","7.3756","0.0008","90","","107.184","0.011","90","","1442.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 I N2 O -","- C14 H15 I N2 O -","- C56 H60 I4 N8 O4 -","4","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.1003","0.047","","","0.0833","0.1028","","","","","","0.963","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210969","16.712","0.002","10.3361","0.001","7.5219","0.0008","90","","110.794","0.013","90","","1214.7","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 F N2 O2 -","- C13 H15 F N2 O2 -","- C52 H60 F4 N8 O8 -","4","0.5","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","0.71073","MoKα","","0.0785","0.046","","","0.1145","0.132","","","","","","1.018","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210970","18.043","0.0012","7.0446","0.0006","20.792","0.002","90","","90","","90","","2642.8","0.4","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C13 H15 Cl N2 O2 -","- C13 H15 Cl N2 O2 -","- C104 H120 Cl8 N16 O16 -","8","1","","Trzybiński, Damian; Sikorski, Artur","Solvent-bridged frameworks of hydrogen bonds in crystals of 9-aminoacridinium halides","CrystEngComm","2013","15","34","6808","","10.1039/c3ce41027g","","","1.54184","CuKα","","0.157","0.0738","","","0.1642","0.213","","","","","","0.993","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210971","11.061","0.002","11.061","0.002","17.145","0.003","90","","90","","90","","2097.6","0.6","293","2","293","2","","","","","","","","8","P 42/n c m :2","-P 4ac 2ac","138","","","","- C4 H4 Cl2 Cu K2 Li O19 Ru2 -","- C4 H4 Cl2 Cu K2 Li O19 Ru2 -","- C16 H16 Cl8 Cu4 K8 Li4 O76 Ru8 -","4","0.25","","Jia, Yan-Yan; Liu, Bin; Liu, Xue-Mei; Yang, Jian-Hui","Syntheses, structures and magnetic properties of two heterometallic carbonates: K2Li[Cu(H2O)2Ru2(CO3)4X2]·5H2O (X = Cl, Br)","CrystEngComm","2013","15","39","7936","","10.1039/c3ce41029c","","","0.71073","MoKα","","0.0633","0.0537","","","0.1501","0.1589","","","","","","1.04","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210972","10.9758","0.0009","11.2844","0.001","17.2476","0.0014","90","","90","","90","","2136.2","0.3","296","2","296","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C4 H4 Br2 Cu K2 Li O19 Ru2 -","- C4 H4 Br2 Cu K2 Li O19 Ru2 -","- C16 H16 Br8 Cu4 K8 Li4 O76 Ru8 -","4","0.5","","Jia, Yan-Yan; Liu, Bin; Liu, Xue-Mei; Yang, Jian-Hui","Syntheses, structures and magnetic properties of two heterometallic carbonates: K2Li[Cu(H2O)2Ru2(CO3)4X2]·5H2O (X = Cl, Br)","CrystEngComm","2013","15","39","7936","","10.1039/c3ce41029c","","","0.71073","MoKα","","0.0303","0.0241","","","0.0602","0.0632","","","","","","1.032","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210973","9.3967","0.0003","9.3967","0.0003","32.3703","0.0018","90","","90","","90","","2858.2","0.2","296","2","296","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C24 H24 Cu4 I2 N4 S4 W -","- C24 H24 Cu4 I2 N4 S4 W -","- C48 H48 Cu8 I4 N8 S8 W2 -","2","0.25","","Zhang, Ming-Dao; Qin, Ling; Yao, Xiao-Qiang; Yang, Qing-Xiang; Guo, Zi-Jian; Zheng, He-Gen","The synthesis, structure and third-order nonlinear optical effect of a new 2D cluster polymer based on a [WS4Cu4]2+ SBU and 1,2-di(pyridin-4-yl)ethane","CrystEngComm","2013","15","36","7354","","10.1039/c3ce41033a","","","0.71073","MoKα","","0.0345","0.0323","","","0.1202","0.1217","","","","","","1.01","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210974","13.629","0.003","24.248","0.005","14.286","0.003","90","","104.645","0.003","90","","4567.8","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 N2 O5 Zn -","- C18 H12 N2 O5 Zn -","- C144 H96 N16 O40 Zn8 -","8","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0623","0.0447","","","0.1201","0.1278","","","","","","0.961","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210975","10.163","0.006","10.737","0.006","11.3","0.006","74.521","0.009","89.84","0.009","68.492","0.009","1099.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H10 N2 Ni O7 -","- C18 H10 N2 Ni O7 -","- C36 H20 N4 Ni2 O14 -","2","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0618","0.0547","","","0.1613","0.167","","","","","","1.057","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210976","9.6938","0.0014","13.682","0.002","16.569","0.002","90","","93.601","0.002","90","","2193.2","0.5","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N6 O5 Zn -","- C23 H15 N6 O5 Zn -","- C92 H60 N24 O20 Zn4 -","4","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0539","0.0364","","","0.0875","0.0962","","","","","","1.026","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210977","16.784","0.002","12.9256","0.0018","14.555","0.002","90","","108.565","0.002","90","","2993.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 N0 O11 Zn2 -","- C16 H6 O11 Zn2 -","- C64 H24 O44 Zn8 -","4","1","","Zhang, Liangliang; Guo, Jie; Meng, Qingguo; Wang, Rongming; Sun, Daofeng","Syntheses, structures and characteristics of four metal‒organic coordination polymers based on 5-hydroxyisophthalic acid and N-containing auxiliary ligands","CrystEngComm","2013","15","45","9578","","10.1039/c3ce41035h","","","0.71073","MoKα","","0.0768","0.0695","","","0.2229","0.2315","","","","","","1.054","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210978","8.82","","8.9583","0.0001","10.4738","0.0005","77.724","0.017","80.631","0.017","62.901","0.011","717.79","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl Cu N O8 -","- C9 H16 Cl Cu N O8 -","- C18 H32 Cl2 Cu2 N2 O16 -","2","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0555","0.0487","","","0.1294","0.1351","","","","","","1.172","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210979","7.1898","0.0001","10.0419","0.0001","12.11","0.0001","98.042","0.013","103.19","0.008","110.599","0.009","773.24","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H16 Cl2 N O8 Pr -","- C9 H16 Cl2 N O8 Pr -","- C18 H32 Cl4 N2 O16 Pr2 -","2","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0153","0.0145","","","0.0359","0.0362","","","","","","1.079","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210980","10.9253","0.0014","9.6867","0.001","18.827","0.002","90","","95.438","0.01","90","","1983.5","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H22 Cl2 Eu N O11 -","- C9 H8 Cl2 Eu N O12.006 -","- C36 H32 Cl8 Eu4 N4 O48.024 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0758","0.064","","","0.1176","0.1246","","","","","","1","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210981","10.919","0.003","9.67","0.002","18.815","0.005","90","","95.275","0.004","90","","1978.2","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H22 Cl2 Gd N O11 -","- C9 H8 Cl2 Gd N O12 -","- C36 H32 Cl8 Gd4 N4 O48 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0338","0.0284","","","0.0718","0.0738","","","","","","1.005","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210982","12.865","0.004","9.172","0.003","15.432","0.005","90","","113.897","0.005","90","","1664.8","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cl2 Er N O9 -","- C9 H18 Cl1.9951 Er N O9 -","- C36 H72 Cl7.9804 Er4 N4 O36 -","4","1","","Cai, Li-Zhen; Wang, Ming-Sheng; Wang, Shuai-Hua; Li, Pei-Xin; Guo, Guo-Cong; Huang, Jin-Shun","Syntheses, structures, and magnetic properties of one-dimensional coordination polymers based on N-succinopyridine ligand","CrystEngComm","2013","15","38","7670","","10.1039/c3ce41050a","","","0.71073","MoKα","","0.0338","0.0305","","","0.0707","0.0729","","","","","","1.056","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210983","15.999","0.0015","10.6917","0.0014","14.4959","0.0019","90","","116.938","0.008","90","","2210.6","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H38 Co2 N8 O18 -","- C42 H32 Co2 N8 O18 -","- C84 H64 Co4 N16 O36 -","2","0.5","","Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin","pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property","CrystEngComm","2013","15","45","9537","","10.1039/c3ce41056k","","","0.71073","MoKα","","0.0703","0.0468","","","0.1091","0.1179","","","","","","1.105","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210984","27.882","0.003","13.2793","0.0016","18.463","0.002","90","","107.198","0.002","90","","6530.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H50 Co3 N16 O16 -","- C66 H42 Co3 N16 O16 -","- C264 H168 Co12 N64 O64 -","4","0.5","","Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin","pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property","CrystEngComm","2013","15","45","9537","","10.1039/c3ce41056k","","","0.71073","MoKα","","0.0719","0.057","","","0.1424","0.1494","","","","","","1.042","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210985","20.096","0.001","23.088","0.001","14.616","0.001","90","","90","","90","","6781.5","0.6","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C33 H30 Co2 N8 O11 -","- C33 H25 Co2 N8 O11 -","- C264 H200 Co16 N64 O88 -","8","1","","Luo, Li; Lv, Gao-Chao; Wang, Peng; Liu, Qing; Chen, Kai; Sun, Wei-Yin","pH-Dependent cobalt(ii) frameworks with mixed 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl and 1,3,5-benzenetricarboxylate ligands: synthesis, structure and sorption property","CrystEngComm","2013","15","45","9537","","10.1039/c3ce41056k","","","0.71069","MoKα","","0.0579","0.0499","","","0.1499","0.1555","","","","","","1.337","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210986","15.0103","0.0008","15.0103","0.0008","10.0791","0.0012","90","","90","","90","","2270.9","0.3","296","2","296","2","","","","","","","","5","P 42/m","-P 4c","84","","","","- C H Co N O -","- C3.03448 H1.51724 Co0.137931 N0.413793 O -","- C88 H44 Co4 N12 O29 -","29","3.625","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.1061","0.0811","","","0.2106","0.2387","","","","","","1.107","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210987","17.465","0.018","9.797","0.01","16.253","0.016","90","","104.207","0.012","90","","2696","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 Co N O7 -","- C13 H13 Co N O7 -","- C104 H104 Co8 N8 O56 -","8","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0467","0.0345","","","0.0864","0.0912","","","","","","1.05","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210988","7.233","0.003","10.039","0.005","10.219","0.005","114.141","0.005","99.715","0.005","103.757","0.006","627.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H0 N Ni O5 -","- C13 H11 N Ni O6 -","- C26 H22 N2 Ni2 O12 -","2","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0514","0.0403","","","0.097","0.1027","","","","","","1.044","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210989","10.344","0.007","13.377","0.009","15.091","0.01","76.574","0.009","78.994","0.008","85.999","0.008","1993","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 N12 O17 Zn4 -","- C92 H60 N12 O17 Zn4 -","- C92 H60 N12 O17 Zn4 -","1","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.1921","0.0981","","","0.2324","0.2814","","","","","","0.936","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210990","10.22","0.015","13.41","0.02","15.08","0.02","76.59","0.02","78.429","0.017","86.24","0.02","1969","5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 Co4 N12 O17 -","- C92 H60 Co4 N12 O17 -","- C92 H60 Co4 N12 O17 -","1","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.2603","0.089","","","0.1816","0.2595","","","","","","0.947","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210991","12.824","0.009","10.318","0.007","31.48","0.02","90","","101.75","","90","","4078","5","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C H Co N O -","- C3.92157 H2.35294 Co0.156863 N0.470588 O0.627451 -","- C200 H120 Co8 N24 O32 -","51","12.75","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.097","0.0588","","","0.1296","0.1424","","","","","","0.923","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210992","10.254","0.004","13.361","0.006","16.14","0.005","90","","125.468","0.018","90","","1800.9","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H40 N6 Ni2 O13 -","- C30 H40 N6 Ni2 O13 -","- C60 H80 N12 Ni4 O26 -","2","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0475","0.0404","","","0.1033","0.1081","","","","","","1.071","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210993","8.318","0.01","10.274","0.016","10.462","0.011","110.18","0.01","102.095","0.011","98.619","0.013","796.2","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H0 N0 O0 Pb -","- C18 H11 N2 O4 Pb -","- C36 H22 N4 O8 Pb2 -","2","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.0479","0.0432","","","0.1063","0.1084","","","","","","1.058","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210994","20.547","0.009","9.966","0.005","15.687","0.007","90","","99.638","0.006","90","","3167","3","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C41 H0 Co N0 O0 -","- C25 H16 Co N5 O6 -","- C100 H64 Co4 N20 O24 -","4","0.5","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.1095","0.0788","","","0.2189","0.2438","","","","","","1.077","","","","has coordinates,has disorder","180440","2020-10-21","18:00:00",""
"7210995","9.94","0.02","10.51","0.02","10.98","0.02","74.51","0.03","67.11","0.03","74.83","0.03","1002","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Co N3 O9 -","- C19 H13 Co N3 O9 -","- C38 H26 Co2 N6 O18 -","2","1","","Hu, Fei-Long; Mi, Yan; Gu, Yun-Qiong; Zhu, Li-Gang; Yang, Sheng-Lan; Wei, Han; Lang, Jian-Ping","Structure diversities of ten entangled coordination polymers assembled from reactions of Co(ii) or Ni(ii) salts with 5-(pyridin-4-yl)isophthalic acid in the absence or presence of auxiliary N-donor ligands","CrystEngComm","2013","15","45","9553","","10.1039/c3ce41059e","","","0.71073","MoKα","","0.2175","0.0822","","","0.1619","0.2081","","","","","","0.818","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210996","12.2391","0.0009","16.214","0.0009","18.1327","0.001","106.807","0.005","103.456","0.006","105.134","0.006","3134.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H54 Eu2 N5 O26 P3 -","- C46 H38 Eu2 N5 O26 P3 -","- C92 H76 Eu4 N10 O52 P6 -","2","1","","Yu, Wen-Jing; Chen, Xi; Li, Jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Lanthanide coordination polymers with hexa-carboxylate ligands derived from cyclotriphosphazene as bridging linkers: synthesis, thermal and luminescent properties","CrystEngComm","2013","15","38","7732","","10.1039/c3ce41060a","","","0.71073","MoKα","","0.1184","0.0769","","","0.195","0.2274","","","","","","1.03","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210997","34.882","0.004","12.059","0.002","15.391","0.003","90","","90","","90","","6474.1","1.8","293","2","293","2","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C44 H51 Eu2 N4 O28 P3 -","- C44 H31 Eu2 N4 O28 P3 -","- C176 H124 Eu8 N16 O112 P12 -","4","0.5","","Yu, Wen-Jing; Chen, Xi; Li, Jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Lanthanide coordination polymers with hexa-carboxylate ligands derived from cyclotriphosphazene as bridging linkers: synthesis, thermal and luminescent properties","CrystEngComm","2013","15","38","7732","","10.1039/c3ce41060a","","","0.71073","MoKα","","0.148","0.0752","","","0.1593","0.1892","","","","","","0.944","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210998","9.2371","0.0003","9.8604","0.0003","30.4599","0.001","96.869","0.003","92.323","0.002","92.071","0.002","2749.81","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H38 Eu2 N5 O24 P3 -","- C47 H38 Eu2 N5 O24 P3 -","- C94 H76 Eu4 N10 O48 P6 -","2","1","","Yu, Wen-Jing; Chen, Xi; Li, Jia; Li, Bao; Zhang, Tian-le; Tao, Jun","Lanthanide coordination polymers with hexa-carboxylate ligands derived from cyclotriphosphazene as bridging linkers: synthesis, thermal and luminescent properties","CrystEngComm","2013","15","38","7732","","10.1039/c3ce41060a","","","0.71073","MoKα","","0.0737","0.0594","","","0.127","0.1343","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7210999","33.0001","0.0004","33.0001","0.0004","33.0001","0.0004","90","","90","","90","","35937.3","0.8","293","2","293","2","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C330 H534 N51 O75 Tb3 -","- C132 H72 O27 Tb3 -","- C528 H288 O108 Tb12 -","4","0.0833333","","He, Yabing; Furukawa, Hiroyasu; Wu, Chuande; O'Keeffe, Michael; Chen, Banglin","A mesoporous lanthanide‒organic framework constructed from a dendritic hexacarboxylate with cages of 2.4 nm","CrystEngComm","2013","15","45","9328","","10.1039/c3ce41062e","","","0.71073","MoKα","","0.1777","0.0698","","","0.1495","0.1675","","","","","","1.052","","","","has coordinates","180440","2020-10-21","18:00:00",""
"7211000","5.893","0.0007","8.8346","0.0011","15.801","0.002","99.553","0.006","99.826","0.007","109.432","0.006","742.11","0.17","296","2","296","2","","","","","","","synthesis","7","P 1","P 1","1","complex2","Complex2","","- C26 H34 Cl Cs Cu N2 O7 -","- C26 H34 Cl Cs Cu N2 O7 -","- C26 H34 Cl Cs Cu N2 O7 -","1","1","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.0647","0.057","","","0.1466","0.1515","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211001","18.365","0.004","21.101","0.005","27.684","0.006","90","","90","","90","","10728","4","296","2","296","2","","","","","","","syn","6","C 2 2 21","C 2c 2","20","complex3","Complex3","","- C78 H114 Cs Cu3 N7 O27 -","- C78 H102 Cs Cu3 N6 O18 -","- C312 H408 Cs4 Cu12 N24 O72 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1373","0.1041","","","0.2668","0.2883","","","","","","0.981","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211002","17.675","0.005","21.173","0.005","26.561","0.005","90","","90","","90","","9940","4","296","2","296","2","","","","","","","synthesis","7","C 2 2 21","C 2c 2","20","Complex5","Complex5","","- C78 H102 Br Cu3 K N6 O23 -","- C78 H102 Br Cu3 K N6 O23 -","- C312 H408 Br4 Cu12 K4 N24 O92 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1428","0.057","","","0.1232","0.1631","","","","","","1.037","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211003","18.5555","0.0012","20.9943","0.0013","27.1327","0.0016","90","","90","","90","","10569.8","1.1","296","2","296","2","","","","","","","syn","7","C 2 2 21","C 2c 2","20","Complex6","Complex6","","- C80 H96 Cu3 I K N6 O27 -","- C80 H96 Cu3 I K N6 O27 -","- C320 H384 Cu12 I4 K4 N24 O108 -","4","0.5","","Dubey, Mrigendra; Ray, Manabendra","Retention of Cs‒Cl bond induces coordination polymer formation over trinuclear chiral assembly of copper(ii) complexes of l-leucine derived ligand","CrystEngComm","2013","15","45","9648","","10.1039/c3ce41070f","","x-ray","0.71073","MoKα","","0.1504","0.1101","","","0.3032","0.3224","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211004","6.115","0.002","6.85","0.001","20.781","0.002","90","","90","","90","","870.5","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H14 Cl N O3 -","- C5 H14 Cl N O3 -","- C20 H56 Cl4 N4 O12 -","4","1","","Adhikari, Soma; Seth, Saikat Kumar; Kar, Tanusree","Structural studies and physicochemical properties of l-valine hydrochloride monohydrate","CrystEngComm","2013","15","36","7372","","10.1039/c3ce41079j","","","0.71073","MoKα","","0.0178","0.0178","","","0.0465","0.0465","","","","","","1.171","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211005","12.2465","0.0018","8.9751","0.0013","21.857","0.003","90","","116.809","0.006","90","","2144.2","0.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N6 O4 -","- C26 H22 N6 O4 -","- C104 H88 N24 O16 -","4","1","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.71073","MoKα","","0.11","0.0957","","","0.167","0.173","","","","","","1.29","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211006","10.959","0.01","12.244","0.01","14.385","0.017","87.42","0.05","88.82","0.05","68.55","0.05","1795","3","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H70 Mn N20 O19 -","- C78 H66 Mn N20 O18 -","- C78 H66 Mn N20 O18 -","1","0.5","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.71075","MoKα","","0.164","0.0977","","","0.207","0.241","","","","","","1.125","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211007","8.861","0.005","13.585","0.007","19.115","0.009","97.849","0.004","94.829","0.006","106.464","0.01","2167.6","1.9","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C82 H70 Cl12 Mn N20 O18 -","- C78 H66 Mn N18 O12 -","- C78 H66 Mn N18 O12 -","1","0.5","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.6889","synchrotron","","0.137","0.119","","","0.338","0.355","","","","","","1.078","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211008","35.385","0.011","8.383","0.003","20.831","0.006","90","","122.313","0.005","90","","5222","3","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H51 Mn N15 O15 -","- C55 H51 Mn N15 O15 -","- C220 H204 Mn4 N60 O60 -","4","0.5","","Richards, Victoria J.; Blake, Alexander J.; Lewis, William; Nowell, Harriott; Parmenter, Christopher D. J.; Champness, Neil R.","Manganese(ii) and copper(ii) nitrate bis-imidazole coordination polymers: dimensionality and product morphology","CrystEngComm","2013","15","45","9704","","10.1039/c3ce41082j","","","0.71073","MoKα","","0.127","0.0839","","","0.182","0.199","","","","","","1.084","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211009","11.4086","0.0015","25.257","0.003","12.6476","0.0017","90","","103.292","0.003","90","","3546.7","0.8","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 Cu9 N12 O43 S4 -","- C44 H42 Cu9 N12 O43 S4 -","- C88 H84 Cu18 N24 O86 S8 -","2","0.5","","Zhu, Xia; Zhao, Shan; Peng, Yan-Fen; Li, Bao-Long; Wu, Bing","A (3,14)-connected three-dimensional metal‒organic framework based on the unprecedented enneanuclear copper(ii) cluster [Cu9(μ3-OH)4(μ2-OH)2]","CrystEngComm","2013","15","44","9154","","10.1039/c3ce41086b","","","0.71075","MoKα","","0.0934","0.0743","","","0.1752","0.1909","","","","","","1.076","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211010","7.6333","0.0003","24.1332","0.0011","30.5291","0.0014","90","","93.505","0.003","90","","5613.4","0.4","228","2","228","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","MMPF-7","","","- C48 H24 In1.29 N4 O8.57 -","- C48 H24 In1.285 N4 O8.57 -","- C192 H96 In5.14 N16 O34.28 -","4","0.5","","Gao, Wen-Yang; Zhang, Zhuxiu; Cash, Lindsay; Wojtas, Lukasz; Chen, Yu-Sheng; Ma, Shengqian","Two rare indium-based porous metal‒metalloporphyrin frameworks exhibiting interesting CO2 uptake","CrystEngComm","2013","15","45","9320","","10.1039/c3ce41090k","","","1.54178","CuKα","","0.0758","0.0535","","","0.1291","0.1367","","","","","","0.951","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211011","41.982","0.002","21.5588","0.0012","43.755","0.002","90","","92.635","0.001","90","","39560","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","MMPF-8","","","- C72 H40 In2 N4 O10 -","- C72 H40 In2 N4 O10 -","- C1152 H640 In32 N64 O160 -","16","4","","Gao, Wen-Yang; Zhang, Zhuxiu; Cash, Lindsay; Wojtas, Lukasz; Chen, Yu-Sheng; Ma, Shengqian","Two rare indium-based porous metal‒metalloporphyrin frameworks exhibiting interesting CO2 uptake","CrystEngComm","2013","15","45","9320","","10.1039/c3ce41090k","","","0.41328","synchrotron","","0.1043","0.0699","","","0.177","0.1891","","","","","","1.049","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211012","15.1849","0.0004","17.0797","0.0004","18.8731","0.0004","90","","97.172","0.002","90","","4856.5","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H29 Cu2 N3 O10 -","- C30 H29 Cu2 N3 O10 -","- C120 H116 Cu8 N12 O40 -","4","0.5","","Ju, Zhanfeng; Yuan, Daqiang","Wings waving: coordinating solvent-induced structural diversity of new Cu(ii) flexible MOFs with crystal to crystal transformation and gas sorption capability","CrystEngComm","2013","15","45","9513","","10.1039/c3ce41095a","","","1.54184","CuKα","","0.0528","0.048","","","0.1491","0.156","","","","","","1.069","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211013","10.6325","0.0009","10.7258","0.0008","18.3532","0.0014","76.671","0.006","86.717","0.006","74.278","0.007","1960.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 Cu2 N O10 -","- C24 H15 Cu2 N O10 -","- C48 H30 Cu4 N2 O20 -","2","1","","Ju, Zhanfeng; Yuan, Daqiang","Wings waving: coordinating solvent-induced structural diversity of new Cu(ii) flexible MOFs with crystal to crystal transformation and gas sorption capability","CrystEngComm","2013","15","45","9513","","10.1039/c3ce41095a","","","1.54184","CuKα","","0.1269","0.0903","","","0.2137","0.2342","","","","","","0.982","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211014","25.622","0.002","13.8443","0.0013","25.612","0.004","90","","116.582","0.001","90","","8124.7","1.6","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H34 N0 O16 Si2 Zn3 -","- C56 H34 O16 Si2 Zn3 -","- C224 H136 O64 Si8 Zn12 -","4","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.0595","0.0536","","","0.1259","0.1282","","","","","","1.006","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211015","13.935","0.0016","14.196","0.003","14.6708","0.0017","107.988","0.002","113.735","0.001","100.298","0.002","2368.8","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H84 N6 O24 Si2 Zn5 -","- C82 H84 N6 O24 Si2 Zn5 -","- C82 H84 N6 O24 Si2 Zn5 -","1","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.0963","0.0777","","","0.2562","0.2693","","","","","","1","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211016","13.9817","0.0019","14.1817","0.0019","14.27","0.003","115.922","0.002","113.196","0.002","97.144","0.001","2183.4","0.6","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","- C82 H90 Cd4 N6 O24 Si2 -","1","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.034","0.0326","","","0.0805","0.0813","","","","","","1.007","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211017","13.875","0.007","14.072","0.007","14.208","0.007","116.3","0.005","109.724","0.005","101.428","0.005","2133.1","1.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","- C80 H88 Cd4 N8 O24 Si2 -","1","0.5","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.0549","0.0491","","","0.117","0.1213","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211018","38.22","0.02","29.788","0.019","25.377","0.016","90","","99.005","0.008","90","","28536","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H66 O39 Si4 Zn9 -","- C112 H66 O39 Si4 Zn9 -","- C448 H264 O156 Si16 Zn36 -","4","1","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.2487","0.0803","","","0.1782","0.1895","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211019","12.706","0.004","12.706","0.004","23.817","0.008","90","","90","","90","","3845","2","110","2","110","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","","","- C28 H16 O10 Si Zn2 -","- C28 H16 O10 Si Zn2 -","- C56 H32 O20 Si2 Zn4 -","2","0.125","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.1014","0.0537","","","0.1166","0.127","","","","","","1.008","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211020","13.775","0.004","14.507","0.004","24.244","0.007","83.217","0.003","81.797","0.003","65.572","0.003","4357","2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H32 Cd4 O20 Si2 -","- C56 H32 Cd4 O20 Si2 -","- C112 H64 Cd8 O40 Si4 -","2","1","","Zhang, Muwei; Chen, Ying-Pin; Zhou, Hong-Cai","Structural design of porous coordination networks from tetrahedral building units","CrystEngComm","2013","15","45","9544","","10.1039/c3ce41105b","","","0.71073","MoKα","","0.152","0.1254","","","0.2771","0.2893","","","","","","1.008","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211021","36.85","0.02","7.469","0.004","8.756","0.005","90","","90","","90","","2410","2","173","2","173","2","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C26 H26 Mg N0 O5 S -","- C26 H26 Mg O5 S -","- C104 H104 Mg4 O20 S4 -","4","0.25","","Liu, Yangyang; Chen, Ying-Pin; Liu, Tian-Fu; Yakovenko, Andrey A.; Raiff, Aaron M.; Zhou, Hong-Cai","Selective gas adsorption and unique phase transition properties in a stable magnesium metal-organic framework constructed from infinite metal chains","CrystEngComm","2013","15","45","9688","","10.1039/c3ce41106k","","","0.71073","MoKα","","0.1139","0.0676","","","0.1946","0.2291","","","","","","1.053","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211022","9.8606","0.0015","11.6737","0.0017","12.5124","0.0018","66.93","0.002","74.602","0.003","65.787","0.002","1199.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 Cd3 F12 N2 O20 -","- C36 H38 Cd3 F12 N2 O20 -","- C36 H38 Cd3 F12 N2 O20 -","1","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0439","0.0358","","","0.1167","0.1531","","","","","","1.015","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211023","5.4767","0.0007","10.4619","0.0013","17.4891","0.0019","90","","106.381","0.004","90","","961.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Cd F4 N2 O8 -","- C14 H18 Cd F4 N2 O8 -","- C28 H36 Cd2 F8 N4 O16 -","2","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0255","0.0239","","","0.0723","0.0733","","","","","","1.074","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211024","18.597","0.004","17.566","0.003","19.258","0.004","90","","116.427","0.002","90","","5633.7","1.9","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl12 N4 Na2 O17 Zn2 -","- C37 H32 Cl12 N4 Na2 O17 Zn2 -","- C148 H128 Cl48 N16 Na8 O68 Zn8 -","4","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0856","0.0637","","","0.1737","0.197","","","","","","1.033","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211025","10.3749","0.0008","17.7228","0.0014","14.3154","0.0011","90","","106.919","0.002","90","","2518.3","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl6 K N2 O7 Zn -","- C17 H14 Cl6 K N2 O7 Zn -","- C68 H56 Cl24 K4 N8 O28 Zn4 -","4","1","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0563","0.0373","","","0.1167","0.1364","","","","","","1.039","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211026","14.426","0.003","47.197","0.008","7.0539","0.0013","90","","107.58","0.008","90","","4578.4","1.5","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H54 Cd8 F32 O59 -","- C64 H54 Cd8 F32 O59 -","- C128 H108 Cd16 F64 O118 -","2","0.25","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0803","0.0556","","","0.1293","0.1362","","","","","","1.099","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211027","5.349","0.002","12.309","0.006","15.159","0.006","90","","95.851","0.009","90","","992.9","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Cl4 O14 Zn -","- C8 H20 Cl4 O14 Zn -","- C16 H40 Cl8 O28 Zn2 -","2","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Huang, Kun-Lin; Luo, Hai-Kun; He, Ming-Yang; Du, Miao; Chen, Qun","Alkali-metal-regulated construction of superhydrophilic ZnII and CdII coordination polymers with perhalogenated terephthalate ligands","CrystEngComm","2013","15","45","9613","","10.1039/c3ce41108g","","","0.71073","MoKα","","0.0713","0.0597","","","0.1689","0.1716","","","","","","1.055","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211028","24.377","0.003","24.377","0.003","24.856","0.005","90","","90","","120","","12792","3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H36 Co9 N36 Na6 O66 -","- C48 H6 Co9 N36 Na6 O66 -","- C144 H18 Co27 N108 Na18 O198 -","3","0.166667","","Tian, Dan; Liu, Sui-Jun; Chang, Ze; Zhang, Ying-Hui; Zhao, Jiong-Peng; Bu, Xian-He","Edge-directed assembly of a 3D 2p–3d heterometallic metal–organic framework based on a cubic Co8(TzDC)12 cage","CrystEngComm","2013","15","45","9344","","10.1039/c3ce41117f","","","0.71073","MoKα","","0.2073","0.1868","","","0.534","0.5476","","","","","","2.188","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7211029","23.91","0.003","23.91","0.003","23.91","0.003","90","","90","","90","","13669","3","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C72 H36 O32 Zr6 -","- C72 H36 O32 Zr6 -","- C288 H144 O128 Zr24 -","4","0.0208333","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.0734","0.0701","","","0.1881","0.1934","","","","","","1.089","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211030","16.994","0.003","18.454","0.004","22.477","0.004","90","","90","","90","","7049","2","296","2","296","2","","","","","","","","4","I m m m","-I 2 2","71","","","","- C48 H24 Hf6 O32 -","- C48 H24 Hf6 O32 -","- C96 H48 Hf12 O64 -","2","0.125","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.0547","0.05","","","0.1512","0.1619","","","","","","1.18","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211031","17.6","0.002","17.6","0.002","22.6","0.004","90","","90","","90","","7000.6","1.7","293","2","296","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C48 H24 Hf6 O32 -","- C48 H24 Hf6 O32 -","- C96 H48 Hf12 O64 -","2","0.0625","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.0579","0.0554","","","0.1624","0.1642","","","","","","1.17","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211032","22.53","0.005","25.38","0.005","16.9","0.003","90","","90","","90","","9664","3","296","2","296","2","","","","","","","","4","C m m a","-C 2a 2","67","","","","- C40 H24 O32 Zr6 -","- C40 H24 O32 Zr6 -","- C160 H96 O128 Zr24 -","4","0.25","","Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S.; Kaskel, Stefan","Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs","CrystEngComm","2013","15","45","9572","","10.1039/c3ce41121d","","x-ray","0.88561","synchrotron","","0.1512","0.123","","","0.3064","0.3232","","","","","","1.527","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211033","13.0268","0.0004","23.255","0.0006","10.1923","0.0003","90","","90","","90","","3087.64","0.15","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C69 H50 In2 N4 O14 -","- C69 H50 In2 N4 O14 -","- C138 H100 In4 N8 O28 -","2","0.5","","Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M. Ángeles","Indium metal‒organic frameworks as catalysts in solvent-free cyanosilylation reaction","CrystEngComm","2013","15","45","9562","","10.1039/c3ce41123k","","","1.54178","CuKα","","0.0978","0.0587","","","0.1544","0.1814","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211034","12.4606","0.0003","23.6079","0.0007","10.0948","0.0003","90","","90","","90","","2969.57","0.14","296","2","296","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C65 H50 In2 N4 O14 -","- C65 H50 In2 N4 O14 -","- C130 H100 In4 N8 O28 -","2","0.5","","Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M. Ángeles","Indium metal‒organic frameworks as catalysts in solvent-free cyanosilylation reaction","CrystEngComm","2013","15","45","9562","","10.1039/c3ce41123k","","","1.54178","CuKα","","0.1326","0.0717","","","0.2095","0.2542","","","","","","1.038","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211035","18.7659","0.0011","18.7659","0.0011","11.3114","0.0013","90","","90","","120","","3449.7","0.5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H36 Cu6 O70 P W12 -","- C48 H36 Cu6 O70 P W12 -","- C48 H36 Cu6 O70 P W12 -","1","0.166667","","He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei","Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control","CrystEngComm","2013","15","45","9340","","10.1039/c3ce41136b","","","0.71073","MoKα","","0.1406","0.1045","","","0.3207","0.3418","","","","","","1.187","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211036","29.26","0.04","9.821","0.014","18.95","0.03","90","","113.821","0.017","90","","4982","13","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cu N O5 -","- C24 H21 Cu N O5 -","- C192 H168 Cu8 N8 O40 -","8","1","","He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei","Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control","CrystEngComm","2013","15","45","9340","","10.1039/c3ce41136b","","","0.71073","MoKα","","0.102","0.0582","","","0.2105","0.232","","","","","","0.707","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211037","18.041","0.0038","27.83","0.0058","24.1272","0.0051","90","","106.695","0.003","90","","11603","4","293","2","293","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C118 H142 Cu4 N10 O88 P W12 -","- C118 H142 Cu4 N10 O88 P W12 -","- C236 H284 Cu8 N20 O176 P2 W24 -","2","0.5","","He, Zhi; Pang, Qingqing; Rankine, Damien; Sumby, Christopher J.; Zhang, Lijuan; Doonan, Christian J.; Li, Qiaowei","Encapsulation of polyoxometalates within layered metal‒organic frameworks with topological and pore control","CrystEngComm","2013","15","45","9340","","10.1039/c3ce41136b","","","0.71073","MoKα","","0.1178","0.0673","","","0.2236","0.2716","","","","","","1.063","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211038","10.3697","0.0004","12.6801","0.0003","7.7756","0.0002","90","","109.059","0.004","90","","966.36","0.06","120","","120","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C3 H8 N3 Na O3 S3 -","- C3 H8 N3 Na O3 S3 -","- C12 H32 N12 Na4 O12 S12 -","4","2","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0315","0.029","","","0.0797","0.0931","","","","","","1.16","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7211039","10.453","0.0002","12.7369","0.0002","7.86207","0.00017","90","","109.644","0.002","90","","985.83","0.03","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N3 Na O3 S3 -","- C3 H8 N3 Na O3 S3 -","- C12 H32 N12 Na4 O12 S12 -","4","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0263","0.0254","","","0.0708","0.0716","","","","","","1.077","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211040","7.3438","0.0004","10.3247","0.0004","11.6813","0.0005","76.285","0.003","80.914","0.004","87.551","0.004","849.64","0.07","298.6","0.2","298.6","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 K2 N6 O2 S6 -","- C6 H8 K2 N6 O2 S6 -","- C12 H16 K4 N12 O4 S12 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0401","0.0372","","","0.1028","0.1066","","","","","","1.054","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211041","7.3545","0.0003","10.5336","0.0004","11.7338","0.0005","76.921","0.004","80.641","0.004","88.73","0.004","873.54","0.06","298.6","0.8","298.6","0.8","","","","","","","","6","P -1","-P 1","2","","","","- C6 H8 N6 O2 Rb2 S6 -","- C6 H8 N6 O2 Rb2 S6 -","- C12 H16 N12 O4 Rb4 S12 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0366","0.0325","","","0.0885","0.0928","","","","","","1.068","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211042","7.5673","0.0003","11.2806","0.0006","11.4428","0.0004","107.984","0.004","94.103","0.003","102.469","0.004","897.06","0.07","298.9","0.8","298.9","0.8","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10.5 N6 O3 Rb1.5 S6 -","- C6 H10.5 N6 O3 Rb1.5 S6 -","- C12 H21 N12 O6 Rb3 S12 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0303","0.0295","","","0.0745","0.075","","","","","","1.222","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211043","5.1031","0.0003","7.9838","0.0006","10.9408","0.0006","96.431","0.005","103.27","0.005","104.265","0.005","413.7","0.05","300","0.14","300","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C3 H2 Cs N3 S3 -","- C3 H2 Cs N3 S3 -","- C6 H4 Cs2 N6 S6 -","2","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0307","0.0301","","","0.0852","0.0857","","","","","","1.149","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211044","5.41409","0.00008","21.2829","0.0003","14.9761","0.0002","90","","92.3402","0.0013","90","","1724.22","0.04","300","0.14","300","0.14","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H4 Cs2 N6 S6 -","- C6 H4 Cs2 N6 S6 -","- C24 H16 Cs8 N24 S24 -","4","1","","Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.","Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals","CrystEngComm","2013","15","45","9400","","10.1039/c3ce41150h","","","1.5418","CuKα","","0.0478","0.046","","","0.1207","0.1236","","","","","","1.223","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211045","15.435","0.007","6.762","0.003","8.883","0.004","90","","96.343","0.002","90","","921.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 N4 O2 -","- C16 H32 N4 O2 -","- C32 H64 N8 O4 -","2","0.5","","Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen","NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds","CrystEngComm","2013","15","43","8784","","10.1039/c3ce41158c","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211046","6.092","0.003","7.325","0.004","12.473","0.006","73.828","0.003","83.507","0.003","87.597","0.002","531.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H32 N4 O4 -","- C18 H32 N4 O4 -","- C18 H32 N4 O4 -","1","0.5","","Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen","NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds","CrystEngComm","2013","15","43","8784","","10.1039/c3ce41158c","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211047","14.183","0.003","6.159","0.001","9.889","0.002","90","","98.383","0.001","90","","854.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N2 O2 -","- C16 H30 N2 O2 -","- C32 H60 N4 O4 -","2","0.5","","Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen","NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds","CrystEngComm","2013","15","43","8784","","10.1039/c3ce41158c","","","1.54056","CuKα1","","","","","","","","","","","","","","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211048","6.616","0.005","11.643","0.005","30.632","0.005","90","0.005","95.291","0.005","90","0.005","2350","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag N11 O8 -","- C16 H22 Ag N11 O8 -","- C64 H88 Ag4 N44 O32 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.0449","0.0318","","","0.0761","0.0817","","","","","","1.068","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211049","6.72","0.005","11.611","0.005","30.232","0.005","90","","95.504","0.005","90","","2348","2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","N9-propyladenine-N1-oxide_AgBF4","","","- C16 H22 Ag B F4 N10 O4 -","- C16 H22 Ag B F4 N10 O4 -","- C64 H88 Ag4 B4 F16 N40 O16 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.0816","0.0575","","","0.1554","0.1941","","","","","","1.046","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211050","16.106","0.005","6.901","0.005","21.48","0.005","90","0.005","93.47","0.005","90","0.005","2383","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Ag F6 N10 O3 P -","- C16 H22 Ag F6 N10 O3 P -","- C64 H88 Ag4 F24 N40 O12 P4 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.1013","0.0701","","","0.1751","0.2182","","","","","","1.094","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211051","20.15","0.005","6.903","0.005","20.342","0.005","90","0.005","116.516","0.005","90","0.005","2532","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 Ag F3 N10 O7 S -","- C17 H24 Ag F3 N10 O7 S -","- C68 H96 Ag4 F12 N40 O28 S4 -","4","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71069","MoKα","","0.0949","0.0588","","","0.135","0.1551","","","","","","1.039","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211052","12.7023","0.0017","9.2602","0.0012","13.3792","0.0017","90","","117.315","0.002","90","","1398.3","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H22 Ag2 Cl2 N10 O13 -","- C16 H22 Ag2 Cl2 N10 O13 -","- C32 H44 Ag4 Cl4 N20 O26 -","2","1","","Prajapati, Rajneesh Kumar; Kumar, Jitendra; Verma, Sandeep","Counteranion-directed structural consequences in silver‒adenine N-oxide complexes","CrystEngComm","2013","15","45","9316","","10.1039/c3ce41164h","","","0.71073","MoKα","","0.0416","0.0399","","","0.1036","0.1056","","","","","","1.066","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211053","9.303","0.0003","5.169","0.0002","24.7981","0.0008","90","","98.872","0.002","90","","1178.2","0.07","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O8 Pb2 -","- C24 H18 N2 O8 Pb2 -","- C48 H36 N4 O16 Pb4 -","2","0.5","","Akhbari, Kamran; Morsali, Ali","Solid- and solution-state structural transformations in flexible lead(ii) supramolecular polymers","CrystEngComm","2013","15","44","8915","","10.1039/c3ce41171k","","","0.71073","MoKα","","0.0523","0.047","","","0.0899","0.0916","","","","","","1.323","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211054","16.581","0.006","7.331","0.003","14.377","0.006","90","","109.247","0.006","90","","1649.9","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 O4 Pb -","- C20 H12 N2 O4 Pb -","- C80 H48 N8 O16 Pb4 -","4","1","","Akhbari, Kamran; Morsali, Ali","Solid- and solution-state structural transformations in flexible lead(ii) supramolecular polymers","CrystEngComm","2013","15","44","8915","","10.1039/c3ce41171k","","","0.71073","MoKα","","0.0356","0.0316","","","0.1095","0.1187","","","","","","1.082","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211055","13.9323","0.0011","9.9261","0.0008","17.7413","0.0013","90","","112.95","0.002","90","","2259.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Cu F6 N3 O5 -","- C19 H17 Cu F6 N3 O5 -","- C76 H68 Cu4 F24 N12 O20 -","4","1","","Chanthapally, Anjana; Oh, Wei Ting; Vittal, Jagadese J.","[2 + 2] Cycloaddition reaction as a tool to monitor the formation of thermodynamically stable ladder coordination polymers","CrystEngComm","2013","15","45","9324","","10.1039/c3ce41176a","","","0.71073","MoKα","","0.0773","0.064","","","0.1519","0.1615","","","","","","1.045","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211056","8.017","0.0006","10.1567","0.0003","11.0657","0.0011","78.156","0.011","89.947","0.015","77.156","0.013","858.85","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag I3 Mn O9 -","- Ag I3 Mn O9 -","- Ag4 I12 Mn4 O36 -","4","2","","Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates","CrystEngComm","2013","15","38","7776","","10.1039/c3ce41185k","","","0.71073","MoKα","","0.04","0.0344","","","0.0749","0.0765","","","","","","1.117","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211057","7.1101","0.0003","7.6749","0.0003","10.2429","0.0004","90.078","0.003","103.552","0.003","99.571","0.003","535.35","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag I4 Mn O12 -","- Ag I4 Mn O12 -","- Ag2 I8 Mn2 O24 -","2","1","","Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates","CrystEngComm","2013","15","38","7776","","10.1039/c3ce41185k","","","0.71073","MoKα","","0.0185","0.0159","","","0.0326","0.0333","","","","","","1.058","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211058","6.6378","0.0003","6.8724","0.0003","10.0243","0.0005","73.544","0.004","72.194","0.004","81.327","0.004","416.51","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ag3 I6 Mn O18 -","- Ag3 I6 Mn O18 -","- Ag3 I6 Mn O18 -","1","0.5","","Xu, Xiang; Hu, Chun-Li; Yang, Bing-Ping; Mao, Jiang-Gao","Syntheses, crystal structures and magnetic properties of three new silver manganese(ii) or manganese(iii) mixed metal iodates","CrystEngComm","2013","15","38","7776","","10.1039/c3ce41185k","","","0.71073","MoKα","","0.0248","0.0196","","","0.0395","0.0425","","","","","","1.046","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211059","14.7676","0.0018","19.224","0.0014","19.7451","0.0016","65.774","0.002","87.413","0.003","67.535","0.002","4682.3","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H83 Cd3 N3 O25 -","- C66 H54 Cd3 O22 -","- C132 H108 Cd6 O44 -","2","1","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0624","0.0528","","","0.1665","0.1671","","","","","","1.06","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211060","16.1796","0.0015","19.1505","0.0017","19.5848","0.0012","112.451","0.002","93.548","0.003","104.215","0.002","5353.9","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H96 Mn3 N5 O26.5 -","- C72 H68 Mn3 N2 O22 -","- C144 H136 Mn6 N4 O44 -","2","1","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0667","0.0567","","","0.1545","0.156","","","","","","1.096","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211061","15.26","0.002","17.273","0.003","20.297","0.003","99.832","0.002","104.423","0.003","115.202","0.002","4448.1","1.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C155 H167 Co7 N7 O51 -","- C152 H152 Co7 N6 O46 -","- C152 H152 Co7 N6 O46 -","1","0.5","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0682","0.0589","","","0.1568","0.1594","","","","","","1.039","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211062","14.692","0.002","18.436","0.003","19.8419","0.0016","115.514","0.002","96.834","0.003","108.036","0.002","4408","1","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H94 N4 O28 Zn3 -","- C72 H68 N2 O23 Zn3 -","- C144 H136 N4 O46 Zn6 -","2","1","","Zhou, Lian; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin","Synthesis and properties of four coordination polymers built from a semi-rigid tripod carboxylic acid","CrystEngComm","2013","15","44","8989","","10.1039/c3ce41186a","","","0.71073","MoKα","","0.0584","0.0546","","","0.1376","0.1383","","","","","","1.075","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211063","13.2907","0.001","5.1776","0.0004","25.343","0.002","90","","110.038","0.006","90","","1638.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","phenazopyridine","","","- C18 H17 N5 O3 -","- C18 H17 N5 O3 -","- C72 H68 N20 O12 -","4","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0716","0.0482","","","0.1192","0.14","","","","","","1.017","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211064","4.7841","0.0002","9.317","0.0003","18.9162","0.0003","90","","92.498","0.002","90","","842.36","0.05","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","phenazopyridine","","","- C18 H17 N5 O3 -","- C18 H17 N5 O3 -","- C36 H34 N10 O6 -","2","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0652","0.0537","","","0.1438","0.1656","","","","","","1.062","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211065","26.8924","0.0007","5.1332","0.0001","13.0371","0.0004","90","","100.854","0.003","90","","1767.5","0.08","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","phenazopyridine","","","- C18 H19 N5 O4 -","- C18 H19 N5 O4 -","- C72 H76 N20 O16 -","4","1","","Tao, Qian; Chen, Jia-Mei; Lu, Tong-Bu","Two polymorphs and one hydrate of a molecular salt involving phenazopyridine and salicylic acid","CrystEngComm","2013","15","39","7852","","10.1039/c3ce41188e","","","1.54178","CuKα","","0.0474","0.0379","","","0.0907","0.1062","","","","","","1.061","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7211066","14.327","0.002","17.039","0.003","6.49","0.0011","90","","90","","90","","1584.3","0.4","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H20 N O4 P -","- C15 H20 N O4 P -","- C60 H80 N4 O16 P4 -","4","1","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Brela, Mateusz; Garcia, Yann","Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2","CrystEngComm","2013","15","39","7845","","10.1039/c3ce41195h","","","0.71073","MoKα","","0.0858","0.0797","","","0.1674","0.1706","","","","","","1.056","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211067","9.8501","0.0012","11.0661","0.0018","17.707","0.002","92.032","0.011","92.94","0.01","111.728","0.013","1787.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 N2 O3 P S -","- C16 H19 N2 O3 P S -","- C64 H76 N8 O12 P4 S4 -","4","2","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Brela, Mateusz; Garcia, Yann","Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2","CrystEngComm","2013","15","39","7845","","10.1039/c3ce41195h","","","0.71073","MoKα","","0.0855","0.0613","","","0.1539","0.1693","","","","","","1.014","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211068","12.06","0.002","10.7171","0.001","13.9639","0.0013","90","","90.435","0.011","90","","1804.8","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 N4 Ni O6 P2 S2 -","- C32 H36 N4 Ni O6 P2 S2 -","- C64 H72 N8 Ni2 O12 P4 S4 -","2","0.5","","Safin, Damir A.; Babashkina, Maria G.; Robeyns, Koen; Mitoraj, Mariusz P.; Kubisiak, Piotr; Brela, Mateusz; Garcia, Yann","Experimental and theoretical investigations of the NiII complex with N-phosphorylated thiourea iPrNHC(S)NHP(O)(OPh)2","CrystEngComm","2013","15","39","7845","","10.1039/c3ce41195h","","","0.71073","MoKα","","0.0507","0.0397","","","0.0976","0.1049","","","","","","1.017","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211069","8.306","0.0017","9.0369","0.0018","14.377","0.003","90","","90","","90","","1079.1","0.4","293","2","293","2","","","","","","","","3","F m m m","-F 2 2","69","","","","- Au Eu2 Si3 -","- Au0.996 Eu2 Si3.004 -","- Au7.968 Eu16 Si24.032 -","8","0.25","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal structure and physical properties of indium flux grown RE2AuSi3 (RE = Eu, Yb)","CrystEngComm","2013","15","39","8006","","10.1039/c3ce41198b","","","0.71073","MoKα","","0.0346","0.032","","","0.0709","0.074","","","","","","1.008","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211070","8.2003","0.0016","14.187","0.003","16.869","0.003","90","","90","","90","","1962.5","0.7","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- Au0.98 Si3.02 Yb2 -","- Au0.982 Si3.018 Yb2 -","- Au15.712 Si48.288 Yb32 -","16","0.5","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal structure and physical properties of indium flux grown RE2AuSi3 (RE = Eu, Yb)","CrystEngComm","2013","15","39","8006","","10.1039/c3ce41198b","","","0.71073","MoKα","","0.0793","0.0433","","","0.088","0.1017","","","","","","1.034","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211071","14.791","0.003","17.227","0.003","25.476","0.005","90","","101.96","0.03","90","","6350","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H82 Cl4 Cu N8 O28 -","- C48 H82 Cl4 Cu N8 O28 -","- C192 H328 Cl16 Cu4 N32 O112 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","synchrotron","","0.0987","0.0817","","","0.21","0.2239","","","","","","1.034","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211072","14.231","0.003","16.882","0.003","26.121","0.005","90","","98.73","0.03","90","","6203","2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 Cl2 Fe N10 O18 S2 -","- C50 H78 Cl2 Fe N10 O18 S2 -","- C200 H312 Cl8 Fe4 N40 O72 S8 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.710698","synchrotron","","0.1","0.0825","","","0.2426","0.2592","","","","","","1.036","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211073","14.138","0.003","16.749","0.003","26.051","0.005","90","","99.11","0.03","90","","6091","2","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H78 Cl2 N10 Ni O18 S2 -","- C50 H78 Cl2 N10 Ni O18 S2 -","- C200 H312 Cl8 N40 Ni4 O72 S8 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","synchrotron","","0.1017","0.0695","","","0.1849","0.212","","","","","","1.053","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211074","17.576","0.004","14.207","0.003","25.869","0.005","90","","95.43","0.03","90","","6431","2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H84 Cl4 N8 Ni O30 -","- C48 H84 Cl4 N8 Ni O30 -","- C192 H336 Cl16 N32 Ni4 O120 -","4","1","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","synchrotron","","0.1746","0.097","","","0.2335","0.2742","","","","","","1.015","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211075","17.7217","0.0005","14.2395","0.0005","25.8471","0.0007","90","","95.929","0.001","90","","6487.6","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H82 Cl4 N8 O30 Zn -","- C48 H84 Cl4 N8 O30 Zn -","- C192 H336 Cl16 N32 O120 Zn4 -","4","1","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","MoKα","","0.1005","0.0851","","","0.1467","0.1534","","","","","","1.195","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211076","9.5947","0.0003","10.3589","0.0003","14.8323","0.0004","86.675","0.001","88.007","0.001","85.2","0.001","1465.88","0.07","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 N6 O4 S2 Zn -","- C26 H36 N6 O4 S2 Zn -","- C52 H72 N12 O8 S4 Zn2 -","2","1","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.71073","MoKα","","0.0328","0.0311","","","0.0862","0.0938","","","","","","1.121","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211077","12.6015","0.0003","23.5649","0.0004","23.6458","0.0005","90","","90","","90","","7021.7","0.3","123.01","0.15","123.01","0.15","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H94 Cl2 Fe N10 O20 S2 -","- C58 H94 Cl2 Fe N10 O20 S2 -","- C232 H376 Cl8 Fe4 N40 O80 S8 -","4","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","1.5418","CuKα","","0.0735","0.0503","","","0.1315","0.1434","","","","","","1.063","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211078","16.366","0.002","16.366","0.002","10.158","0.002","90","","90","","90","","2720.8","0.7","123","2","123","2","","","","","","","","6","P 4","P 4","75","","","","- C50 H72 Cu N10 O8 S2 -","- C50 H72 Cu N10 O8 S2 -","- C100 H144 Cu2 N20 O16 S4 -","2","0.5","","Gee, William J.; Moubaraki, Boujemaa; Murray, Keith S.; Batten, Stuart R.","Coordination polymers of a dipyridylazacrown ligand: structural, thermal and spectroscopic properties","CrystEngComm","2013","15","45","9655","","10.1039/c3ce41202d","","","0.710698","synchrotron","","0.2808","0.205","","","0.4817","0.5275","","","","","","1.55","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211079","9.344","0.002","18.507","0.006","14.312","0.003","90","","94.404","0.02","90","","2467.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Dy O10 -","- C28 H17 Dy O10 -","- C112 H68 Dy4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.1954","0.0905","","","0.1753","0.2502","","","","","","0.93","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211080","9.3363","0.0004","18.4457","0.001","14.3315","0.0007","90","","94.174","0.005","90","","2461.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 O10 Tb -","- C28 H17 O10 Tb -","- C112 H68 O40 Tb4 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.1017","0.0654","","","0.1468","0.1772","","","","","","1.036","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211081","9.3657","0.0005","18.4465","0.001","14.386","0.0011","90","","94.004","0.006","90","","2479.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Gd O10 -","- C28 H17 Gd O10 -","- C112 H68 Gd4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.1365","0.0706","","","0.1243","0.1583","","","","","","1.014","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211082","9.3135","0.0004","18.5484","0.0011","14.2816","0.0007","90","","94.483","0.004","90","","2459.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Ho O10 -","- C28 H17 Ho O10 -","- C112 H68 Ho4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0924","0.0487","","","0.0696","0.0859","","","","","","1","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211083","9.2869","0.0003","18.5404","0.0009","14.2415","0.0006","90","","94.635","0.003","90","","2444.12","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Er O10 -","- C28 H17 Er O10 -","- C112 H68 Er4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0701","0.0427","","","0.0572","0.0668","","","","","","1.003","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211084","9.3601","0.0007","18.417","0.0015","14.3938","0.001","90","","93.847","0.007","90","","2475.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H17 Eu O10 -","- C28 H17 Eu O10 -","- C112 H68 Eu4 O40 -","4","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0665","0.0396","","","0.0683","0.0789","","","","","","1.023","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211085","9.7896","0.0008","11.5519","0.0008","12.6529","0.0019","74.677","0.009","72.626","0.01","72.086","0.007","1275.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 Dy2 O24 -","- C56 H42 Dy2 O24 -","- C56 H42 Dy2 O24 -","1","0.5","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0809","0.0554","","","0.0777","0.0898","","","","","","1.04","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211086","9.8077","0.0019","11.548","0.002","12.6506","0.0016","74.508","0.013","72.369","0.014","71.967","0.017","1274.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 O12 Tb -","- C28 H21 O12 Tb -","- C56 H42 O24 Tb2 -","2","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.071","0.0504","","","0.0898","0.102","","","","","","1.076","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211087","9.7629","0.0011","11.5128","0.0007","12.6274","0.001","74.605","0.006","72.647","0.009","72.2","0.008","1265.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 Gd O12 -","- C28 H21 Gd O12 -","- C56 H42 Gd2 O24 -","2","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0693","0.049","","","0.0733","0.0817","","","","","","1.028","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211088","9.7886","0.0007","11.5573","0.0008","12.5972","0.0012","74.649","0.007","72.626","0.007","71.873","0.006","1269.19","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 Ho O12 -","- C28 H21 Ho O12 -","- C56 H42 Ho2 O24 -","2","1","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.0443","0.036","","","0.0628","0.0693","","","","","","1.077","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211089","9.8061","0.0009","11.5898","0.0008","12.6074","0.001","74.575","0.006","72.548","0.008","71.682","0.007","1274.08","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 Er2 O24 -","- C56 H42 Er2 O24 -","- C56 H42 Er2 O24 -","1","0.5","","Gao, Yanfei; Cao, Jianwei; Song, Ye; Zhang, Guonan; Wang, Yanqin; Liu, Zhiliang","Structure control and crystal-to-crystal transformation for two series of lanthanide‒organic coordination polymers","CrystEngComm","2013","15","42","8522","","10.1039/c3ce41207e","","","0.71073","MoKα","","0.077","0.0547","","","0.0878","0.1","","","","","","1.048","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211090","12.201","0.006","23.969","0.012","18.375","0.006","90","","123.08","0.02","90","","4503","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C90 H86 Co4 N6 O18 P4 -","- C90 H86 Co4 N6 O18 P4 -","- C180 H172 Co8 N12 O36 P8 -","2","0.5","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0748","0.0505","","","0.1098","0.1224","","","","","","1.016","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211091","16.7089","0.0013","33.4493","0.0017","18.7258","0.0011","90","","97.315","0.003","90","","10380.7","1.1","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H83 Mn5 N8 O22 P2 -","- C96 H83 Mn5 N8 O22 P2 -","- C384 H332 Mn20 N32 O88 P8 -","4","1","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0862","0.0614","","","0.1429","0.1502","","","","","","0.994","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211092","32.705","0.003","23.209","0.002","29.898","0.003","90","","100.549","0.001","90","","22311","4","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C105 H93 Mn5 N12 O24 P2 -","- C105 H93 Mn5 N12 O24 P2 -","- C840 H744 Mn40 N96 O192 P16 -","8","1","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0969","0.0633","","","0.1387","0.1465","","","","","","1.001","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211093","21.3091","0.0013","27.1193","0.0014","32.2464","0.0012","90","","90","","90","","18634.8","1.6","291","2","291","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C167 H151 Mn10 N15 O44 P8 -","- C167 H151 Mn10 N15 O44 P8 -","- C668 H604 Mn40 N60 O176 P32 -","4","0.5","","Ma, Yun-Sheng; Cai, Wang-Shui; Chen, Bin; Chang, Jian-Yu; Tang, Xiao-Yan; Yuan, Rong-Xin","Four coordination clusters using fluorenyl and carbazyl phosphonates as ligands","CrystEngComm","2013","15","37","7615","","10.1039/c3ce41212a","","","0.71073","MoKα","","0.0519","0.051","","","0.1238","0.1241","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211094","23.908","0.004","10.0503","0.0018","17.068","0.003","90","","90","","90","","4101.1","1.2","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H38 N10 O18 Zn3 -","- C32 H38 N10 O18 Zn3 -","- C128 H152 N40 O72 Zn12 -","4","0.5","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0807","0.0476","","","0.1163","0.1335","","","","","","1.053","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211095","9.718","0.002","9.962","0.003","13.971","0.003","90","","128.918","0.011","90","","1052.3","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C19 H25 N5 O6 Zn -","- C19 H25 N5 O6 Zn -","- C38 H50 N10 O12 Zn2 -","2","0.5","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0557","0.0439","","","0.1048","0.1122","","","","","","1.042","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211096","11.044","0.002","11.997","0.002","17.106","0.003","87.79","0.03","74.9","0.03","79.42","0.03","2150.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H37 N10 O5 Zn2 -","- C49 H37 N10 O5 Zn2 -","- C98 H74 N20 O10 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0817","0.0475","","","0.1224","0.1459","","","","","","1.017","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211097","10.9728","0.0019","12.61","0.002","16.807","0.003","77.404","0.002","79.051","0.002","89.147","0.002","2227.4","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H42 N10 O6 Zn2 -","- C51 H36 N10 O6 Zn2 -","- C102 H72 N20 O12 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0574","0.0396","","","0.105","0.1125","","","","","","1.078","","","","has coordinates","180441","2020-10-21","18:00:00",""
"7211098","11.358","0.004","15.04","0.006","15.209","0.006","72.965","0.005","84.833","0.006","81.685","0.005","2454.8","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H38 N10 O3.5 Zn2 -","- C49 H38 N10 O3.5 Zn2 -","- C98 H76 N20 O7 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.1154","0.081","","","0.2475","0.2774","","","","","","1.06","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211099","12.411","0.003","14.631","0.003","16.969","0.003","66.11","0.03","78.09","0.03","72.06","0.03","2668.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 N10 O8 Zn2 -","- C56 H56 N10 O8 Zn2 -","- C112 H112 N20 O16 Zn4 -","2","1","","Zhang, Xiaoxi; Xing, Na; Bai, Fengying; Wan, Lijuan; Shan, Hui; Hou, Yanan; Xing, Yongheng; Shi, Zhan","Multi-functional d10 metal‒organic materials based on bis-pyrazole/pyridine ligands supported by a 2,6-di(3-pyrazolyl)pyridine with different spanning flexible dicarboxylate ligands: synthesis, structure, photoluminescent and catalytic properties","CrystEngComm","2013","15","44","9135","","10.1039/c3ce41213j","","","0.71073","MoKα","","0.0813","0.0489","","","0.1269","0.1458","","","","","","1.011","","","","has coordinates,has disorder","180441","2020-10-21","18:00:00",""
"7211100","6.897","0.003","45.92","0.02","8.08","0.004","90","","94.826","0.007","90","","2550","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N2 O -","- C34 H26 N2 O -","- C136 H104 N8 O4 -","4","1","","Zhang, Yujian; Sun, Jingwei; Lv, Xiaojing; Ouyang, Mi; Cao, Feng; Pan, Guoxiang; Pan, Luping; Fan, Guangbo; Yu, Weiwei; He, Chao; Zheng, Sishi; Zhang, Feng; Wang, Wei; Zhang, Cheng","Heating and mechanical force-induced “turn on” fluorescence of cyanostilbene derivative with H-type stacking","CrystEngComm","2013","15","44","8998","","10.1039/c3ce41221k","","","0.71073","MoKα","","0.1298","0.0865","","","0.2139","0.231","","","","","","1.065","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211101","7.9698","0.0017","9.389","0.002","15.464","0.003","90","","92.31","0.005","90","","1156.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C56 H32 N8 O4 -","4","1","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71073","MoKα","","0.0805","0.0548","","","0.1305","0.1436","","","","","","1.08","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211102","5.1665","0.001","18.453","0.004","18.155","0.003","90","","90","","90","","1730.9","0.6","273","2","273","2","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C15 H8 Ag F3 N2 O4 S -","- C15 H8 Ag F3 N2 O4 S -","- C60 H32 Ag4 F12 N8 O16 S4 -","4","0.5","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71073","MoKα","","0.0767","0.0667","","","0.1843","0.1935","","","","","","1.034","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211103","11.093","0.004","12.53","0.004","12.33","0.004","90","","93.515","0.006","90","","1710.6","1","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H8 Ag F3 N2 O4 S -","- C15 H8 Ag F3 N2 O4 S -","- C60 H32 Ag4 F12 N8 O16 S4 -","4","1","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71073","MoKα","","0.0307","0.0272","","","0.0698","0.072","","","","","","1.079","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211104","14.141","0.003","15.663","0.003","16.402","0.003","90","","108.459","0.006","90","","3446","1.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H34 Ag3 F9 N8 O14 S3 -","- C59 H34 Ag3 F9 N8 O14 S3 -","- C118 H68 Ag6 F18 N16 O28 S6 -","2","1","","Anthony, Savarimuthu Philip; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.","A structurally versatile coordination polymer: demonstrating spontaneous resolution, conformational polymorphism and gel formation","CrystEngComm","2013","15","33","6602","","10.1039/c3ce41224e","","","0.71075","MoKα","","0.0979","0.0828","","","0.2318","0.255","","","","","","1.077","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211105","8.671","0.006","12.162","0.008","13.095","0.008","110.238","0.012","95.823","0.013","93.793","0.013","1281.4","1.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N9 O15 -","- C20 H19 N9 O15 -","- C40 H38 N18 O30 -","2","1","","Manna, Prankrishna; Seth, Saikat Kumar; Mitra, Monojit; Das, Amrita; Singh, N. Jiten; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata","A successive layer-by-layer assembly of supramolecular frameworks driven by a novel type of face-to-face π±-π+ interactions","CrystEngComm","2013","15","39","7879","","10.1039/c3ce41230j","","","0.71073","MoKα","","0.0513","0.0377","","","0.0981","0.11","","","","","","1.029","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211106","25.791","0.002","25.791","0.002","11.1284","0.0013","90","","90","","120","","6410.6","1","213","2","213","2","","","","","","","","6","R -3 :H","-R 3","148","","bis-Thiocyanato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole)cadmium(II), solvate with 0.66 Dichloromethane","","- C22.667 H29.333 Cd Cl1.333 N10 S2 -","- C22.6667 H28 Cd Cl1.3336 N10 S2 -","- C204 H252 Cd9 Cl12.0024 N90 S18 -","9","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0404","0.0353","","","0.0786","0.0807","","","","","","1.136","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211107","14.4685","0.0012","22.858","0.003","23.048","0.003","90","","90","","90","","7622.5","1.5","213","2","213","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","bis-Thiocyanato-mu-Hexafluorosilicato-tetrakis (3,3',5,5'-Tetramethyl-4,4'-bipyrazole)dicadmium(II), Solvate with 6 Chloroform","","- C48 H62 Cd2 Cl18 F6 N18 S2 Si -","- C48 H62 Cd2 Cl18 F6 N18 S2 Si -","- C192 H248 Cd8 Cl72 F24 N72 S8 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0687","0.0577","","","0.1557","0.1624","","","","","","1.046","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211108","19.522","0.0008","19.522","0.0008","33.791","0.003","90","","90","","90","","12878","1.4","213","2","213","2","","","","","","","","8","P 42/m","-P 4c","84","","bis-Thiocyanato-mu-Hexafluorosilicato-tetrakis (3,3',5,5'-Tetramethyl-4,4'-bipyrazole)dicadmium(II), Solvate with 2 Dichloromethane","","- C44 H60 Cd2 Cl4 F6 N18 S2 Si -","- C44 H60 Cd2 Cl4 F6 N18 S2 Si -","- C352 H480 Cd16 Cl32 F48 N144 S16 Si8 -","8","1","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.065","0.0559","","","0.1487","0.1544","","","","","","0.994","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7211109","13.6869","0.001","15.5383","0.0009","15.877","0.0012","90","","90.047","0.008","90","","3376.6","0.4","213","2","213","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","mu-Hexafluorosilicato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole) cadmium(II), Hexahydrate","","- C20 H40 Cd F6 N8 O6 Si -","- C20 H28 Cd F6 N8 O6 Si -","- C80 H112 Cd4 F24 N32 O24 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0339","0.0312","","","0.0788","0.0795","","","","","","1.019","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7211110","15.893","0.0012","11.8892","0.0011","16.7929","0.0012","90","","91.161","0.003","90","","3172.5","0.4","213","2","213","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","mu-Hexafluorosilicato-bis(3,3',5,5'-Tetramethyl-4,4'-bipyrazole) cadmium(II), Solvate with 1.5 Dichloromethane","","- C21.5 H31 Cd Cl3 F6 N8 Si -","- C21.5 H31 Cd Cl3 F6 N8 Si -","- C86 H124 Cd4 Cl12 F24 N32 Si4 -","4","0.5","","Ponomarova, Vira V.; Komarchuk, Vasiliy V.; Boldog, Ishtvan; Krautscheid, Harald; Domasevitch, Konstantin V.","Modular construction of 3D coordination frameworks incorporating SiF62− links: Accessing the significance of [M(pyrazole)4{SiF6}] synthon","CrystEngComm","2013","15","41","8280","","10.1039/c3ce41238e","","","0.71073","MoKα","","0.0305","0.0291","","","0.0731","0.0738","","","","","","1.098","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7211111","15.219","0.003","75.54","0.015","14.401","0.003","90","","90","","90","","16556","6","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C54 H56 Cu3 N14 O18 -","- C48 H42 Cu3 N12 O16 -","- C384 H336 Cu24 N96 O128 -","8","1","","Bloch, Witold M.; Doonan, Christian J.; Sumby, Christopher J.","Using hinged ligands to target structurally flexible copper(ii) MOFs","CrystEngComm","2013","15","45","9663","","10.1039/c3ce41244j","","","0.7107","Synchrotron","","0.0934","0.0815","","","0.2502","0.2618","","","","","","1.029","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211112","19.4251","0.0009","36.589","0.002","37.762","0.002","90","","114.202","0.004","90","","24480","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C140 H188 Cu6 N30 O38 -","- C104 H100 Cu6 N16 O20 -","- C416 H400 Cu24 N64 O80 -","4","1","","Bloch, Witold M.; Doonan, Christian J.; Sumby, Christopher J.","Using hinged ligands to target structurally flexible copper(ii) MOFs","CrystEngComm","2013","15","45","9663","","10.1039/c3ce41244j","","","0.7107","Synchrotron","","0.0795","0.0573","","","0.1634","0.1746","","","","","","0.971","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211113","5.36","0.0003","8.5693","0.0007","13.4999","0.0011","98.83","0.004","93.8","0.005","95.524","0.005","607.8","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","lithium hemibenzoate","","- C14 H11 Li O4 -","- C14 H11 Li O4 -","- C28 H22 Li2 O8 -","2","1","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0948","0.0538","","","0.1173","0.1327","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211114","5.8077","0.0001","14.4331","0.0004","22.0139","0.0006","90","","97.047","0.002","90","","1831.33","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sodium benzoate.2benzoic acid","","- C21 H17 Na O6 -","- C21 H17 Na O6 -","- C84 H68 Na4 O24 -","4","1","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0526","0.0405","","","0.0957","0.1023","","","","","","1.043","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211115","29.586","0.002","3.7964","0.0003","11.1214","0.0008","90","","97.096","0.009","90","","1239.59","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","potassium hemibenzoate","","- C14 H11 K O4 -","- C14 H11 K O4 -","- C56 H44 K4 O16 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0545","0.0432","","","0.1054","0.1114","","","","","","1.051","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211116","29.347","0.004","3.8697","0.0005","11.3973","0.0016","90","","95.478","0.007","90","","1288.4","0.3","100","2","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","rubidium hemibenzoate 6-coordinate polymorph 100 K","","- C14 H11 O4 Rb -","- C14 H11 O4 Rb -","- C56 H44 O16 Rb4 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71075","MoKα","","0.0253","0.025","","","0.0685","0.0687","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211117","29.0315","0.0009","6.963","0.0002","6.6156","0.0002","90","","99.297","0.002","90","","1319.75","0.07","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rubidium hemibenzoate 8 coordinate polymorph","","- C14 H11 O4 Rb -","- C14 H11 O4 Rb -","- C56 H44 O16 Rb4 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0302","0.0278","","","0.0704","0.0723","","","","","","1.115","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211118","28.9095","0.0008","7.0509","0.0002","6.7779","0.0002","90","","99.97","0.002","90","","1360.73","0.07","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","cesium hemibenzoate monoclinic polymorph","","- C14 H11 Cs O4 -","- C14 H11 Cs O4 -","- C56 H44 Cs4 O16 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0196","0.0189","","","0.0457","0.0459","","","","","","1.083","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211119","28.3393","0.0019","7.0215","0.0003","6.9066","0.0004","90","","90","","90","","1374.31","0.14","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","cesium hemibenzoate orthorhombic phase","","- C14 H11 Cs O4 -","- C14 H11 Cs O4 -","- C56 H44 Cs4 O16 -","4","0.5","","Rees, Gregory J.; Day, Stephen P.; Lari, Alberth; Howes, Andrew P.; Iuga, Dinu; Pitak, Mateusz B.; Coles, Simon J.; Threlfall, Terry L.; Light, Mark E.; Smith, Mark E.; Quigley, David; Wallis, John D.; Hanna, John V.","A multinuclear solid state NMR, density functional theory and X-Ray diffraction study of hydrogen bonding in Group I hydrogen dibenzoates","CrystEngComm","2013","15","43","8823","","10.1039/c3ce41258j","","","0.71073","MoKα","","0.0426","0.0312","","","0.0503","0.054","","","","","","1.176","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211120","15.125","0.003","6.941","0.001","11.257","0.002","90","","94.76","0.03","90","","1177.7","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C0 H0 F1.5 N0 Na1.5 O5 U -","- F1.5 Na1.5 O5 U -","- F12 Na12 O40 U8 -","8","1","","Chen, Fei; Wang, Congzhi; Shi, Weiqun; Zhang, Miao; Liu, Caiming; Zhao, Yuliang; Chai, Zhifang","Two new uranyl fluoride complexes with UVIO‒alkali (Na, Cs) interactions: Experimental and theoretical studies","CrystEngComm","2013","15","39","8041","","10.1039/c3ce41261j","","","0.71073","MoKα","","0.0217","0.0198","","","0.047","0.0479","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211121","12.1485","0.0012","11.8621","0.0013","12.3655","0.0012","90","","90","","90","","1782","0.3","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cs F5 O4 U2 -","- Cs F5 O4 U2 -","- Cs8 F40 O32 U16 -","8","0.5","","Chen, Fei; Wang, Congzhi; Shi, Weiqun; Zhang, Miao; Liu, Caiming; Zhao, Yuliang; Chai, Zhifang","Two new uranyl fluoride complexes with UVIO‒alkali (Na, Cs) interactions: Experimental and theoretical studies","CrystEngComm","2013","15","39","8041","","10.1039/c3ce41261j","","","0.71073","MoKα","","0.0306","0.0273","","","0.0701","0.0719","","","","","","1.006","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211122","20.4","0.009","9.284","0.009","7.13","0.007","90","","108.7","0.04","90","","1279.1","1.9","150","2","150.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Co0.84 Mn0.16 N O5 -","- C13 H9 Co0.84 Mn0.16 N O5 -","- C52 H36 Co3.36 Mn0.64 N4 O20 -","4","0.5","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.7107","MoKα","","0.109","0.063","","","0.1314","0.1448","","","","","","1.036","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211123","19.2638","0.0011","7.1952","0.0005","9.2847","0.0007","90","","90","","90","","1286.92","0.15","296","","296","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C13 H9 Co0.84 Mn0.16 N O5 -","- C13 H9 Co0.84 Mn0.16 N O5 -","- C52 H36 Co3.36 Mn0.64 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.7107","MoKα","","0.0865","0.0568","","","0.1106","0.1213","","","","","","1.083","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211124","20.4094","0.0013","9.1206","0.0005","7.1342","0.0004","90","","109.377","0.005","90","","1252.78","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.5","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.71073","MoKα","","0.0925","0.0732","","","0.1834","0.1964","","","","","","1.05","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211125","19.2841","0.0015","7.1837","0.0007","9.2835","0.0009","90","","90","","90","","1286.1","0.2","566","2","566","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","1.54184","CuKα","","0.0642","0.0485","","","0.1108","0.1367","","","","","","1.159","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211126","19.4519","0.0009","7.3237","0.0004","9.326","0.0005","90","","90","","90","","1328.58","0.12","150","2","150.15","","","","","","","","","6","I m m a","-I 2b 2","74","","","","- C13 H9 Co0.35 Mn0.65 N O5 -","- C13 H9 Co0.35 Mn0.65 N O5 -","- C52 H36 Co1.4 Mn2.6 N4 O20 -","4","0.25","","Munn, Alexis S.; Clarkson, Guy J.; Millange, Franck; Dumont, Yves; Walton, Richard I.","M(ii) (M = Mn, Co, Ni) variants of the MIL-53-type structure with pyridine-N-oxide as a co-ligand","CrystEngComm","2013","15","45","9679","","10.1039/c3ce41268g","","","0.71073","MoKα","","0.0548","0.0405","","","0.0948","0.103","","","","","","1.055","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211127","7.5611","0.0006","14.9501","0.0011","10.3894","0.0006","90","","123.74","0.004","90","","976.6","0.13","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethenzamide hydrochloride salt","","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0281","0.0257","","","0.0709","0.0729","","","","","","1.061","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211128","7.6316","0.0006","15.2521","0.0011","10.6249","0.0006","90","","124.184","0.004","90","","1023.06","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethenzamide hydrobromide salt","","","- C9 H12 Br N O2 -","- C9 H12 Br N O2 -","- C36 H48 Br4 N4 O8 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0266","0.021","","","0.0489","0.0508","","","","","","1.038","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211129","9.0833","0.0006","5.1811","0.0004","16.3294","0.0011","90","","91.011","0.001","90","","768.37","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Salicylamide hydrochloride salt","","","- C7 H8 Cl N O2 -","- C7 H8 Cl N O2 -","- C28 H32 Cl4 N4 O8 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0331","0.0275","","","0.0752","0.0794","","","","","","1.095","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211130","38.522","0.005","38.522","0.005","3.9027","0.0005","90","","90","","120","","5015.5","1.1","173","2","173","2","","","","","","","","4","R 3 :H","R 3","146","Ethenzamide HNO3 salt","","","- C54 H57 N15 O37 -","- C54 H57 N15 O37 -","- C162 H171 N45 O111 -","3","0.333333","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0852","0.065","","","0.2001","0.2149","","","","","","1.517","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211131","6.7925","0.0017","14.67","0.004","11.674","0.003","90","","95.785","0.003","90","","1157.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ethenzamide HClO4 salt","","","- C9 H12 Cl N O6 -","- C9 H12 Cl N O6 -","- C36 H48 Cl4 N4 O24 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0388","0.033","","","0.0834","0.0869","","","","","","1.056","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211132","10.2073","0.0007","5.0535","0.0003","16.909","0.0011","90","","104.791","0.001","90","","843.31","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","SalicylamidE HNO3 salt","","","- C7 H8 N2 O5 -","- C7 H8 N2 O5 -","- C28 H32 N8 O20 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.037","0.0322","","","0.0855","0.0893","","","","","","1.077","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211133","18.6631","0.0017","5.1858","0.0005","20.166","0.0018","90","","106.852","0.001","90","","1867.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Salicylamide HClO4 salt","","","- C7 H8 Cl N O6 -","- C7 H8 Cl N O6 -","- C56 H64 Cl8 N8 O48 -","8","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0477","0.0338","","","0.0819","0.0882","","","","","","1.058","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211134","5.8473","0.0004","23.1474","0.0015","7.2982","0.0005","90","","95.948","0.001","90","","982.49","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Acetaminophen hydrobromide monohydrate salt","","","- C8 H12 Br N O3 -","- C8 H12 Br N O3 -","- C32 H48 Br4 N4 O12 -","4","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0349","0.0271","","","0.0594","0.0619","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211135","26.813","0.005","5.6138","0.0011","13.838","0.003","90","","90.014","0.002","90","","2082.9","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Phenacetin hemi hydrochloride","","","- C20 H27 Cl N2 O4 -","- C20 H27 Cl N2 O4 -","- C80 H108 Cl4 N8 O16 -","4","0.5","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0346","0.0327","","","0.0991","0.1077","","","","","","1.105","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211136","6.7923","0.0004","13.4759","0.0008","14.1913","0.0008","76.127","0.001","77.312","0.001","87.962","0.001","1230.08","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Phenacetin hydrochloride salt trihydrate","","","- C20 H33 Cl2 N2 O7 -","- C20 H33 Cl2 N2 O7 -","- C40 H66 Cl4 N4 O14 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.063","0.0508","","","0.1715","0.1835","","","","","","1.315","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211137","13.3","0.0007","12.1554","0.0007","28.501","0.0014","90","","111.742","0.002","90","","4279.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Phenacetin hemi hydrobromide","","","- C20 H27 Br N2 O4 -","- C20 H27 Br N2 O4 -","- C160 H216 Br8 N16 O32 -","8","2","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0423","0.0285","","","0.0665","0.0717","","","","","","1.008","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211138","6.8379","0.0008","13.72","0.0016","14.2131","0.0017","76.208","0.002","77.572","0.002","87.122","0.002","1264.6","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","Phenacetin hydrobromide trihydrate","","","- C20 H33 Br2 N2 O7 -","- C20 H33 Br2 N2 O7 -","- C40 H66 Br4 N4 O14 -","2","1","","Perumalla, Sathyanarayana Reddy; Sun, Changquan Calvin","Synthon preference in O-protonated amide crystals ‒ dominance of short strong hydrogen bonds","CrystEngComm","2013","15","44","8941","","10.1039/c3ce41271g","","","0.71073","MoKα","","0.0417","0.0331","","","0.0921","0.0969","","","","","","1.042","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211139","8.945","0.003","10.17","0.003","11.149","0.003","111.26","0.03","100.11","0.03","97.47","0.03","909.6","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.1456","0.0786","","","0.1391","0.1611","","","","","","1.111","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211140","8.747","0.003","10.231","0.003","10.915","0.003","110.96","0.03","98.49","0.03","98","0.03","882.5","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0687","0.0461","","","0.1253","0.1343","","","","","","1.001","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211141","7.629","0.002","33.472","0.009","10.073","0.003","90","","98.39","0.03","90","","2544.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N4 O8.5 -","- C28 H25 N4 O8.5 -","- C112 H100 N16 O34 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.1186","0.0657","","","0.1374","0.1598","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211142","7.449","0.002","33.32","0.008","10.028","0.003","90","","97.88","0.03","90","","2465.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N4 O8.5 -","- C28 H25 N4 O8.5 -","- C112 H100 N16 O34 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0614","0.0464","","","0.1026","0.109","","","","","","1.061","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211143","3.78","0.002","41.196","0.01","11.65","0.004","90","","92.69","0.03","90","","1812.1","1.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O7 -","- C21 H18 N2 O7 -","- C84 H72 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0453","0.0366","","","0.075","0.0784","","","","","","1.056","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211144","3.706","0.002","41.15","0.01","11.564","0.004","90","","92.44","0.03","90","","1761.9","1.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H18 N2 O7 -","- C21 H18 N2 O7 -","- C84 H72 N8 O28 -","4","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0389","0.0339","","","0.0716","0.0736","","","","","","1.053","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211145","4.278","0.002","12.561","0.004","17.37","0.006","94.86","0.03","92.76","0.03","99.14","0.03","916.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.1656","0.0689","","","0.1043","0.1281","","","","","","1.001","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211146","4.265","0.002","12.485","0.004","17.03","0.006","94.22","0.03","91.27","0.03","100.04","0.03","889.9","0.6","102","2","102","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0727","0.0394","","","0.0739","0.0787","","","","","","1.019","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211147","7.479","0.003","8.702","0.003","14.642","0.004","104.49","0.03","92.07","0.03","105.2","0.03","885.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 N2 O7 -","- C21 H16 N2 O7 -","- C42 H32 N4 O14 -","2","1","","Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa","Cocrystals of fisetin, luteolin and genistein with pyridinecarboxamide coformers: crystal structures, analysis of intermolecular interactions, spectral and thermal characterization","CrystEngComm","2013","15","38","7696","","10.1039/c3ce41285g","","","0.71073","MoKα","","0.0518","0.0439","","","0.1088","0.1132","","","","","","1.089","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211148","15.8046","0.001","18.7688","0.001","20.6949","0.0012","90","","102.839","0.003","90","","5985.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H146 N10 O32 P6 Zn7 -","- C108 H146 N10 O32 P6 Zn7 -","- C216 H292 N20 O64 P12 Zn14 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.0887","0.0632","","","0.1422","0.1593","","","","","","1.097","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211149","15.836","0.006","22.682","0.008","18.49","0.007","90","","105.99","0.006","90","","6385","4","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H150 N14 O48 P6 Zn9 -","- C96.006 H114 N14 O48 P6 Zn9 -","- C192.012 H228 N28 O96 P12 Zn18 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.0658","0.0609","","","0.1685","0.173","","","","","","1.121","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211150","15.827","0.006","22.632","0.008","18.636","0.006","90","","106.024","0.006","90","","6416","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H150 N14 O48 P6 Zn9 -","- C96 H114 N13.994 O48 P6 Zn9 -","- C192 H228 N27.988 O96 P12 Zn18 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.1048","0.0859","","","0.1974","0.2085","","","","","","1.204","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211151","15.789","0.006","18.802","0.007","20.84","0.008","90","","103.286","0.007","90","","6021","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H146 N10 O32 P6 Zn7 -","- C108 H146 N10 O32 P6 Zn7 -","- C216 H292 N20 O64 P12 Zn14 -","2","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Two new molecular zinc phosphonates with bright luminescence for sensing UV radiation","CrystEngComm","2013","15","44","8937","","10.1039/c3ce41298a","","","0.71073","MoKα","","0.0595","0.0451","","","0.1227","0.1338","","","","","","1.039","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211152","18.768","0.009","28.89","0.014","9.479","0.005","90","","90","","90","","5140","4","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H24 N3 O7.5 S Zn -","- C24 H19 N3 O6 S Zn -","- C192 H152 N24 O48 S8 Zn8 -","8","1","","Wei, Na; Zhang, Ya-Ru; Han, Zheng-Bo","Thiadiazole-functional porous metal‒organic framework as luminescent probe for Cd2+","CrystEngComm","2013","15","44","8883","","10.1039/c3ce41308j","","","0.71073","MoKα","","0.0933","0.09","","","0.2343","0.2358","","","","","","1.205","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211153","12.7243","0.0013","14.7895","0.0015","19.099","0.0019","106.503","0.001","95.497","0.001","99.092","0.001","3365","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H33 Ag7 Cl N20 O40 P W11 -","- C30 H29 Ag7 Cl N20 O40 P W11 -","- C60 H58 Ag14 Cl2 N40 O80 P2 W22 -","2","1","","Shi, Zhen-yu; Peng, Jun; Li, Yang-guang; Zhang, Zhe-yu; Yu, Xia; Alimaje, Kundawlet; Wang, Xiang","Assembly of multinuclear Ag complexes and Keggin polyoxometalates adjusted by organic ligands: syntheses, structures and luminescence","CrystEngComm","2013","15","37","7583","","10.1039/c3ce41312h","","","0.71073","MoKα","","0.0761","0.0553","","","0.1492","0.1601","","","","","","1.077","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211154","20.222","0.005","20.222","0.005","14.199","0.005","90","0.005","90","0.005","90","0.005","5806","3","293","2","293","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C24 H22 Ag3 N10 O42 P W12 -","- C24 H18 Ag3 N10 O42 P W12 -","- C96 H72 Ag12 N40 O168 P4 W48 -","4","0.5","","Shi, Zhen-yu; Peng, Jun; Li, Yang-guang; Zhang, Zhe-yu; Yu, Xia; Alimaje, Kundawlet; Wang, Xiang","Assembly of multinuclear Ag complexes and Keggin polyoxometalates adjusted by organic ligands: syntheses, structures and luminescence","CrystEngComm","2013","15","37","7583","","10.1039/c3ce41312h","","","0.71069","MoKα","","0.0845","0.0531","","","0.1004","0.1125","","","","","","1.178","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211155","5.5406","0.0006","11.413","0.0013","12.5086","0.0015","64.504","0.002","88.982","0.002","81.527","0.002","705.23","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Cl4 Co N4 O10 S2 -","- C24 H16 Cl4 Co N4 O10 S2 -","- C24 H16 Cl4 Co N4 O10 S2 -","1","0.5","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.0632","0.0424","","","0.0916","0.1006","","","","","","1.023","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211156","10.026","0.001","10.3105","0.001","10.8084","0.0011","67.618","0.001","74.945","0.001","64.458","0.001","926.02","0.16","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H10 Cd Cl2 N3 O5 S -","- C17 H10 Cd Cl2 N3 O5 S -","- C34 H20 Cd2 Cl4 N6 O10 S2 -","2","1","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.0206","0.0196","","","0.0499","0.0504","","","","","","1.078","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211157","16.236","0.002","10.7795","0.0014","22.336","0.003","90","","110.571","0.002","90","","3659.9","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 Cl2 N3 O4 S Zn -","- C17 H10 Cl2 N3 O4 S Zn -","- C136 H80 Cl16 N24 O32 S8 Zn8 -","8","1","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.024","0.0216","","","0.0565","0.0578","","","","","","1.05","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211158","10.642","0.0011","16.0895","0.0016","18.2984","0.0019","64.614","0.002","89.078","0.002","79.539","0.002","2776.8","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C92 H78 Cl6 Cu6 N16 O37 S6 -","- C92 H68 Cl6 Cu6 N16 O37 S6 -","- C92 H68 Cl6 Cu6 N16 O37 S6 -","1","0.5","","Zhao, Fangfang; Zhang, Guangju; Dong, Huan; Ji, Wenbin; Zhou, Lei; Li, Hao; Hu, Hailiang; Liu, Yang; Kang, Zhenhui","Transition metal-directed assembly of diverse coordination polymers based on multifunctional ligand 2,4-dichloro-5-sulfamoylbenzoic acid","CrystEngComm","2013","15","42","8483","","10.1039/c3ce41331d","","","0.71073","MoKα","","0.0762","0.0454","","","0.0983","0.112","","","","","","1","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211159","18.7028","0.0047","18.7028","0.0047","18.2028","0.006","90","","90","","90","","6367","3","295","","295","","","","","","","","","5","I 4/m m m","-I 4 2","139","MIL125-NH2","","","- C24 H39 N3 O29 Ti4 -","- C30 H15 N5 O50.875 Ti4 -","- C60 H30 N10 O101.75 Ti8 -","2","0.0625","","Smalley, Adam P.; Reid, David G.; Tan, Jin Chong; Lloyd, Gareth O.","Alternative synthetic methodology for amide formation in the post-synthetic modification of Ti-MIL125-NH2","CrystEngComm","2013","15","45","9368","","10.1039/c3ce41332b","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","0.06929","4.663","","","","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211160","9.6931","0.0006","11.3006","0.0008","14.3505","0.001","73.455","0.003","81.523","0.003","81.699","0.004","1481.66","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 La N3 O11.5 -","- C25.5 H20.5 La N3 O10.8 -","- C51 H41 La2 N6 O21.6 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0699","0.0596","","","0.166","0.1777","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211161","9.6675","0.0008","11.2358","0.001","14.3181","0.0011","73.513","0.004","81.448","0.004","82.179","0.005","1467.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 Ce N3 O11.5 -","- C25.5 H20.5 Ce N3 O10.7 -","- C51 H41 Ce2 N6 O21.4 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.116","0.0833","","","0.2081","0.2348","","","","","","1.018","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211162","9.6508","0.0007","11.3218","0.0009","14.3139","0.0011","73.017","0.004","81.282","0.004","81.99","0.004","1471","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 O11.5 Pr -","- C25.5 H20.5 N3 O10.7 Pr -","- C51 H41 N6 O21.4 Pr2 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0907","0.0719","","","0.1974","0.2177","","","","","","1.065","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211163","9.6255","0.0003","11.3582","0.0004","14.3241","0.0005","72.709","0.002","81.124","0.002","81.892","0.002","1469.81","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 Nd O11.5 -","- C25.5 H20.5 N3 Nd O10.7 -","- C51 H41 N6 Nd2 O21.4 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0671","0.0575","","","0.1591","0.1713","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211164","9.5818","0.0005","11.4188","0.0007","14.313","0.0008","72.293","0.003","80.953","0.003","81.968","0.003","1466.23","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 O11.5 Sm -","- C25.5 H20.5 N3 O10.9 Sm -","- C51 H41 N6 O21.8 Sm2 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0843","0.0659","","","0.1803","0.1987","","","","","","1.069","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211165","9.5632","0.0003","11.4212","0.0004","14.3028","0.0005","72.138","0.002","80.833","0.002","81.905","0.002","1460.86","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 Eu N3 O11.5 -","- C25.5 H20.5 Eu N3 O10.2 -","- C51 H41 Eu2 N6 O20.4 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0687","0.0539","","","0.1402","0.154","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211166","9.5532","0.0006","11.4479","0.0007","14.3067","0.0008","71.998","0.003","80.74","0.003","81.872","0.003","1461.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 Gd N3 O11.5 -","- C25.5 H20.5 Gd N3 O10.9 -","- C51 H41 Gd2 N6 O21.8 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.0744","0.0619","","","0.1527","0.1649","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211167","9.471","0.003","11.43","0.004","14.264","0.004","71.787","0.012","80.912","0.008","82.319","0.011","1442.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H23 N3 O11.5 Tb -","- C25.5 H20.5 N3 O10.9 Tb -","- C51 H41 N6 O21.8 Tb2 -","2","1","","Guo, Li-Rong; Tang, Xiao-Liang; Ju, Zheng-Hua; Zhang, Kai-Ming; Jiang, Hui-E; Liu, Wei-Sheng","Lanthanide metal‒organic frameworks constructed by asymmetric 2-nitrobiphenyl-4,4′-dicarboxylate ligand: syntheses, structures, luminescence and magnetic investigations","CrystEngComm","2013","15","44","9020","","10.1039/c3ce41370e","","","0.71073","MoKα","","0.1648","0.0967","","","0.2182","0.2556","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211168","10.513","0.002","10.585","0.002","13.976","0.003","75.452","0.017","74.622","0.018","89.947","0.017","1447.9","0.5","215","2","215","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 Cd Co2 N O9 -","- C27 H23 Cd Co2 N O9 -","- C54 H46 Cd2 Co4 N2 O18 -","2","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.102","0.0598","","","0.1281","0.1401","","","","","","0.896","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211169","10.2788","0.001","10.2788","0.001","26.373","0.003","90","","90","","90","","2786.4","0.5","213","2","213","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C24 H24 Co2 O12 Zn -","- C24 H24 Co2 O12 Zn -","- C96 H96 Co8 O48 Zn4 -","4","0.25","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0408","0.029","","","0.0736","0.0763","","","","","","0.927","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211170","10.3301","0.001","10.2174","0.0011","26.267","0.003","90","","90","","93.932","0.008","2765.9","0.5","180","2","180","2","","","","","","","","5","I 1 1 2/b","-I 2b","15","","","","- C24 H17.5 Co2 O8.75 Zn -","- C24 H16 Co2 O8.75 Zn -","- C96 H64 Co8 O35 Zn4 -","4","0.5","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0947","0.0687","","","0.1961","0.2108","","","","","","1.005","","","","has coordinates","209504","2020-10-21","18:00:00",""
"7211171","10.5609","0.0006","10.5609","0.0006","22.641","0.0016","90","","90","","90","","2525.2","0.3","180","2","180","2","","","","","","","","5","P 41","P 4w","76","","","","- C25.5 H22 Co2 Cu O9.5 -","- C25.5 H22 Co2 Cu O9.5 -","- C102 H88 Co8 Cu4 O38 -","4","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","x-ray","0.71073","MoKα","","0.0668","0.0454","","","0.1081","0.1153","","","","","","0.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211172","10.5985","0.0012","10.5985","0.0012","20.4","0.003","90","","90","","90","","2291.5","0.5","180","2","180","2","","","","","","","","5","P 41","P 4w","76","","","","- C24.5 H18 Co2 Cu O8.5 -","- C24.5 H18 Co2 Cu O8.5 -","- C98 H72 Co8 Cu4 O34 -","4","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","x-ray","0.71073","MoKα","","0.1071","0.0765","","","0.224","0.2422","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211173","6.8096","0.0012","12.27","0.003","14.134","0.003","84.323","0.016","78.295","0.015","79.696","0.016","1135.3","0.4","213","2","213","2","","","","","","","","8","P -1","-P 1","2","","","","- C22 H16 Co F6 N2 O4 P Zn -","- C22 H16 Co F6 N2 O4 P Zn -","- C44 H32 Co2 F12 N4 O8 P2 Zn2 -","2","1","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0724","0.044","","","0.099","0.1055","","","","","","0.873","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211174","16.6224","0.0013","11.4498","0.0008","23.447","0.003","90","","90","","90","","4462.5","0.7","213","2","213","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C22 H16 Co F6 N2 O4 P Zn -","- C22 H16 Co F6 N2 O4 P Zn -","- C176 H128 Co8 F48 N16 O32 P8 Zn8 -","8","2","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0662","0.042","","","0.0802","0.0853","","","","","","0.83","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211175","16.541","0.0016","11.1592","0.0007","23.5962","0.0018","90","","90","","90","","4355.5","0.6","180","2","180","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C22 H16 Co Cu F6 N2 O4 P -","- C22 H16 Co Cu F6 N2 O4 P -","- C176 H128 Co8 Cu8 F48 N16 O32 P8 -","8","2","","Kettner, Florian; Kischel, Marcus; Krautscheid, Harald","Coordination polymers based on 1,1′-cobaltocenium dicarboxylate linkers","CrystEngComm","2013","15","42","8437","","10.1039/c3ce41371c","","","0.71073","MoKα","","0.0748","0.0523","","","0.1232","0.1327","","","","","","0.953","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211176","7.566","0.0003","11.56","0.0004","12.262","0.0004","74.727","0.002","76.51","0.002","78.804","0.002","995.93","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O8 S -","- C20 H20 N2 O8 S -","- C40 H40 N4 O16 S2 -","2","1","","Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.","A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions","CrystEngComm","2013","15","42","8422","","10.1039/c3ce41376d","","x-ray","0.71073","MoKα","","0.0483","0.034","","","0.0765","0.083","","","","","","1.02","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211177","10.4318","0.0006","16.658","0.001","10.1656","0.0005","90","","90","","90","","1766.51","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H16 N2 O10 S -","- C16 H16 N2 O10 S -","- C64 H64 N8 O40 S4 -","4","0.5","","Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.","A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions","CrystEngComm","2013","15","42","8422","","10.1039/c3ce41376d","","","0.71073","MoKα","","0.0779","0.0361","","","0.0681","0.075","","","","","","0.803","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211178","15.876","0.003","23.562","0.005","12.514","0.003","90","","117.77","0.03","90","","4142","1.9","120","2","120","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Ca N2 O11 S -","- C16 H16 Ca N2 O11 S -","- C128 H128 Ca8 N16 O88 S8 -","8","1","","Allão Cassaro, Rafael A.; Resende, Jackson A. L. C.; Santos Jr., Sauli; Sorace, Lorenzo; Andruh, Marius; Vaz, Maria G. F.","A 3-D coordination network constructed from an angular bis-oxamato tecton and calcium ions","CrystEngComm","2013","15","42","8422","","10.1039/c3ce41376d","","x-ray","1.54184","CuKα","","0.067","0.05","","","0.1346","0.1436","","","","","","1.058","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211179","23.643","0.009","10.85","0.005","34.239","0.015","90","","100.091","0.011","90","","8647","6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H56 Mn3 N4 O19 -","- C72 H56 Mn3 N4 O19 -","- C288 H224 Mn12 N16 O76 -","4","0.5","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.1128","0.0872","","","0.2307","0.252","","","","","","1.014","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211180","29.96","0.007","20.191","0.005","16.386","0.004","90","","110.129","0.004","90","","9307","4","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H50 Mn3 N4 O19 -","- C64 H50 Mn3 N4 O19 -","- C256 H200 Mn12 N16 O76 -","4","0.5","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.1427","0.0977","","","0.275","0.3136","","","","","","1.006","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211181","47.138","0.012","75.02","0.02","10.521","0.003","90","","90","","90","","37205","17","273","2","273","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C64 H54 Mn3 N4 O21 -","- C64 H54 Mn3 N4 O21 -","- C1024 H864 Mn48 N64 O336 -","16","1","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.124","0.0696","","","0.1448","0.1593","","","","","","1.066","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211182","15.3269","0.0012","25.4411","0.0018","31.096","0.002","73.244","0.002","80.178","0.002","82.093","0.002","11390","1.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C131 H107 Mn6 N6 O43 -","- C131 H104 Mn6 N6 O43 -","- C262 H208 Mn12 N12 O86 -","2","1","","Yi, Fei-Yan; Dang, Song; Yang, Weiting; Sun, Zhong-Ming","Construction of porous Mn(ii)-based metal‒organic frameworks by flexible hexacarboxylic acid and rigid coligands","CrystEngComm","2013","15","41","8320","","10.1039/c3ce41406j","","","0.71073","MoKα","","0.187","0.0836","","","0.1836","0.1985","","","","","","1.004","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211183","32.393","0.003","10.8402","0.0012","20.303","0.002","90","","96.286","0.002","90","","7086.5","1.2","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","m-HOPhO-BsubPc","(3-Hydroxyphenolato)(subphthalocyaninato)boron","","- C45 H32 B N6 O2 -","- C45 H32 B N6 O2 -","- C360 H256 B8 N48 O16 -","8","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","0.71073","MoKα","","0.0977","0.052","","","0.1182","0.1382","","","","","","1.021","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211184","16.211","0.0011","9.4838","0.0006","20.4044","0.0014","90","","110.991","0.004","90","","2928.8","0.3","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-HOPhO-BsubPc","(4-Hydroxyphenolato)(subphthalocyaninato)boron","","- C37 H25 B N6 O2 -","- C37 H25 B N6 O2 -","- C148 H100 B4 N24 O8 -","4","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","1.54178","CuKα","","0.0384","0.0346","","","0.0857","0.0887","","","","","","1.05","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211185","8.9397","0.0005","12.8974","0.0008","13.0121","0.0007","105.828","0.003","109.874","0.003","99.661","0.003","1299.94","0.14","150","1","150","1","","","","","","","","6","P -1","-P 1","2","m-HOPhO-BsubPc","(3-Hydroxyphenolato)(subphthalocyaninato)boron","","- C30.69 H19 B Cl1.38 N6 O2.31 -","- C30.69 H19 B Cl1.38 N6 O2.31 -","- C61.38 H38 B2 Cl2.76 N12 O4.62 -","2","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","1.54178","CuKα","","0.0697","0.0674","","","0.1732","0.1743","","","","","","1.195","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211186","9.845","0.0009","11.2012","0.001","12.2165","0.001","107.938","0.002","106.262","0.002","101.412","0.002","1169.37","0.18","147","2","147","2","","","","","","","","5","P -1","-P 1","2","p-HOPhO-BsubPc","(4-Hydroxyphenolato)(subphthalocyaninato)boron","","- C30 H17 B N6 O2 -","- C30 H17 B N6 O2 -","- C60 H34 B2 N12 O4 -","2","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","0.71073","MoKα","","0.0507","0.0388","","","0.093","0.1007","","","","","","1.036","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211187","26.2251","0.0013","11.7733","0.0007","12.0258","0.0006","90","","92.248","0.003","90","","3710.2","0.3","147","2","147","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","HO-BsubPc","(Hydroxo)(subphthalocyaninato)boron","","- C24 H13 B N6 O -","- C24 H13 B N6 O -","- C192 H104 B8 N48 O8 -","8","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","1.54178","CuKα","","0.044","0.0387","","","0.0961","0.1003","","","","","","1.061","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211188","23.4583","0.0004","11.7386","0.0002","19.4923","0.0005","90","","120.188","0.001","90","","4639.6","0.17","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","o-HOPhO-BsubPc","(2-Hydroxyphenolato)(subphthalocyaninato)boron","","- C30 H17 B N6 O2 -","- C30 H17 B N6 O2 -","- C240 H136 B8 N48 O16 -","8","1","","Virdo, Jessica D.; Crandall, Laura; Dang, Jeremy D.; Fulford, Mabel V.; Lough, Alan J.; Durfee, William S.; Bender, Timothy P.","The influence of strong and weak hydrogen bonds on the solid state arrangement of hydroxy-containing boron subphthalocyanines","CrystEngComm","2013","15","42","8578","","10.1039/c3ce41412d","","","0.71073","MoKα","","0.0552","0.0387","","","0.089","0.0969","","","","","","1.022","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211189","19.6105","0.0009","18.635","0.0007","16.3206","0.0005","90","","93.94","0.002","90","","5950.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 Cd2 N6 O12 -","- C64 H56 Cd2 N6 O12 -","- C256 H224 Cd8 N24 O48 -","4","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Li, Xingjun; Zhang, Linjie; Gai, Yanli; Hong, Maochun","Structural evolution via modifying (6,3) layer: from inclined polycatenation to parallel polyrotaxane-like interpenetration","CrystEngComm","2013","15","42","8426","","10.1039/c3ce41417e","","","0.71073","MoKα","","0.0518","0.0431","","","0.1093","0.1311","","","","","","1","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211190","8.6267","0.0008","11.9716","0.0016","12.8657","0.0013","105.11","0.005","91.309","0.005","99.975","0.005","1260.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H20 Co N2 O6 S -","- C26 H20 Co N2 O6 S -","- C52 H40 Co2 N4 O12 S2 -","2","1","","Bu, Yang; Jiang, Feilong; Zhou, Kang; Li, Xingjun; Zhang, Linjie; Gai, Yanli; Hong, Maochun","Structural evolution via modifying (6,3) layer: from inclined polycatenation to parallel polyrotaxane-like interpenetration","CrystEngComm","2013","15","42","8426","","10.1039/c3ce41417e","","","0.71073","MoKα","","0.0967","0.0732","","","0.1931","0.242","","","","","","1.001","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211191","7.94506","0.0001","9.93697","0.00012","45.0334","0.0005","90","","90","","90","","3555.38","0.07","291","2","291.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cu3 N9 S6 -","- C30 H24 Cu3 N9 S6 -","- C120 H96 Cu12 N36 S24 -","4","1","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","1.5418","CuKα","","0.0473","0.0387","","","0.0857","0.0904","","","","","","1.048","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211192","9.6275","0.0002","9.2206","0.0002","19.3389","0.0004","90","","91.532","0.002","90","","1716.13","0.06","291","2","291.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H30 Cu2 N8 S5 -","- C32 H30 Cu2 N8 S5 -","- C64 H60 Cu4 N16 S10 -","2","1","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","0.7107","MoKα","","0.0448","0.0344","","","0.0651","0.0691","","","","","","1.019","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211193","9.19","0.004","20.588","0.009","24.602","0.011","90","","90","","90","","4655","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C76 H60 Cu8 N24 O0 S16 -","- C76 H60 Cu8 N24 S16 -","- C152 H120 Cu16 N48 S32 -","2","0.25","","Li, Li; Zhu, Lu; Yue, Zhong-Cheng; Zhang, Wen-Li; Zhang, Bing; Niu, Yun-Yin; Hou, Hong-Wei","Three unprecedent polycational templated cuprous thiocyanate networks: synthesis, structure, and properties","CrystEngComm","2013","15","42","8395","","10.1039/c3ce41430b","","","0.71073","MoKα","","0.1654","0.0593","","","0.0912","0.1229","","","","","","1.005","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211194","7.6604","0.0006","11.9068","0.0009","13.5985","0.001","98.88","0.001","96.962","0.002","106.219","0.001","1158.91","0.15","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H63 F4 I N2 O2 -","- C52 H63 F4 I N2 O2 -","- C52 H63 F4 I N2 O2 -","1","0.5","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0392","0.0344","","","0.0882","0.0908","","","","","","1.04","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211195","7.578","0.0006","13.9976","0.0011","20.0546","0.0016","110.067","0.002","90.141","0.002","103.225","0.002","1937.5","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H47 F4 I N2 O2 -","- C44 H47 F4 I N2 O2 -","- C88 H94 F8 I2 N4 O4 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0614","0.0407","","","0.089","0.1002","","","","","","1.023","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211196","4.7732","0.0006","9.5951","0.0013","23.78","0.003","88.044","0.002","89.076","0.002","76.708","0.002","1059.3","0.2","110","2","110","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F4 I N O -","- C23 H20 F4 I N O -","- C46 H40 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0469","0.0377","","","0.0844","0.0922","","","","","","1.119","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211197","6.1484","0.0004","12.8888","0.0009","14.8433","0.001","97.495","0.001","96.075","0.001","90.147","0.001","1159.51","0.14","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 F4 I N O -","- C25 H24 F4 I N O -","- C50 H48 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0356","0.0316","","","0.0715","0.0735","","","","","","1.104","","","","has coordinates,has disorder","180442","2020-10-21","18:00:00",""
"7211198","8.8395","0.0005","12.9338","0.0007","20.8991","0.0011","90","","101.784","0.001","90","","2339","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 F4 I N O -","- C25 H24 F4 I N O -","- C100 H96 F16 I4 N4 O4 -","4","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.71073","MoKα","","0.0236","0.0211","","","0.0542","0.0556","","","","","","1.048","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211199","5.4342","0.0002","11.9349","0.0004","19.0791","0.0005","94.229","0.002","94.338","0.003","95.863","0.003","1223.26","0.07","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F4 I N O -","- C27 H28 F4 I N O -","- C54 H56 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.7107","MoKα","","0.0388","0.0326","","","0.0729","0.077","","","","","","1.067","","","","has coordinates","180442","2020-10-21","18:00:00",""
"7211200","5.4791","0.00012","13.3643","0.0002","18.9794","0.0003","107.316","0.0015","94.6772","0.0017","92.7169","0.0016","1318.59","0.04","110","0.1","110","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C29 H32 F4 I N O -","- C29 H32 F4 I N O -","- C58 H64 F8 I2 N2 O2 -","2","1","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.7107","MoKα","","0.0297","0.0254","","","0.0559","0.0577","","","","","","1.068","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211201","7.6705","0.0002","11.9764","0.0005","13.1845","0.0005","67.842","0.004","87.532","0.003","72.143","0.003","1064.08","0.08","109.95","0.1","109.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 F4 I N2 O2 -","- C48 H55 F4 I N2 O2 -","- C48 H55 F4 I N2 O2 -","1","0.5","","Präsang, Carsten; McAllister, Linda J.; Whitwood, Adrian C.; Bruce, Duncan W.","1 : 1 and 2 : 1 co-crystals of alkoxystilbazoles with tetrafluoroiodobenzenes: halogen bonding, a rare Carene‒H⋯N hydrogen bond and unsymmetric iodine⋯pyridine interactions","CrystEngComm","2013","15","44","8947","","10.1039/c3ce41454j","","","0.7107","MoKα","","0.0496","0.0389","","","0.0803","0.0859","","","","","","1.033","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211202","7.5755","0.0004","7.3774","0.0004","12.0168","0.0006","90","","102.173","0.003","90","","656.49","0.06","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 Br2 D6 O -","- C3 Br2 D6 O -","- C12 Br8 D24 O4 -","4","0.5","","Jones, R. H.; Knight, K. S.; Marshall, W. G.; Coles, S. J.; Horton, P. N.; Pitak, M. B.","The competition between halogen bonds (Br⋯O) and C‒H⋯O hydrogen bonds: the structure of the acetone‒bromine complex revisited","CrystEngComm","2013","15","42","8572","","10.1039/c3ce41472h","","","0.71073","MoKα","","0.0353","0.0309","","0.0788","0.0743","0.0726","","","","","","1.0035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211203","7.6349","0.0005","7.4263","0.0006","12.1724","0.0008","90","","102.788","0.004","90","","673.04","0.08","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 Br2 D6 O -","- C3 Br2 D6 O -","- C12 Br8 D24 O4 -","4","0.5","","Jones, R. H.; Knight, K. S.; Marshall, W. G.; Coles, S. J.; Horton, P. N.; Pitak, M. B.","The competition between halogen bonds (Br⋯O) and C‒H⋯O hydrogen bonds: the structure of the acetone‒bromine complex revisited","CrystEngComm","2013","15","42","8572","","10.1039/c3ce41472h","","","0.71073","MoKα","","0.0623","0.0562","","0.1507","0.1391","0.1374","","","","","","1.0975","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211204","7.58233","0.00011","7.37528","0.00009","12.04151","0.00016","90","","102.263","0.0006","90","","658.019","0.015","110","","110","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 Br2 D6 O -","- C3 Br2 D6 O -","- C12 Br8 D24 O4 -","4","0.5","","Jones, R. H.; Knight, K. S.; Marshall, W. G.; Coles, S. J.; Horton, P. N.; Pitak, M. B.","The competition between halogen bonds (Br⋯O) and C‒H⋯O hydrogen bonds: the structure of the acetone‒bromine complex revisited","CrystEngComm","2013","15","42","8572","","10.1039/c3ce41472h","powder diffraction","neutron","","neutron","","","","","","","","0.17965","","3.53","","","","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211205","9.45","0.0019","19.88","0.004","13.513","0.004","90","","127.38","0.019","90","","2017.3","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl N3 O5 Zn -","- C22 H15 Cl N3 O5 Zn -","- C88 H60 Cl4 N12 O20 Zn4 -","4","1","","Fan, Mengchan; Yao, Zhenguo; Li, Chen; Xia, Yu; Zhang, Qi; Dai, Jingcao; Fu, Zhiyong","A stimuli-responsive zinc-based chain framework constructed via metal‒ligand directed assembly","CrystEngComm","2013","15","42","8408","","10.1039/c3ce41497c","","","0.71073","MoKα","","0.0343","0.0328","","","0.0914","0.0926","","","","","","1.039","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211206","7.6033","0.0002","11.4827","0.0003","11.8705","0.0004","83.186","0.001","71.662","0.002","80.423","0.002","967.59","0.05","100","2","100","2","","","","","","","Isabelle Kirby","5","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C34 H44 Cl2 N10 O10 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.071","0.038","","","","0.029","","","","","","1.396","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211207","7.797","0.002","11.214","0.003","12.211","0.003","91.753","0.005","104.56","0.007","95.232","0.013","1027.5","0.5","100","2","100","2","","","","","","","Isabelle Kirby","4","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium acetate","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C38 H50 N10 O14 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.08","0.053","","","","0.061","","","","","","1.645","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211208","35.929","0.006","7.0153","0.0011","12.624","0.002","90","","90","","90","","3181.9","0.9","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium fluoride","","- C30 H32 F N9 O10 -","- C30 H32 F N9 O10 -","- C120 H128 F4 N36 O40 -","4","0.5","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.6889","","","0.05","0.035","","","","0.047","","","","","","2.569","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211209","6.8211","0.0005","14.4139","0.0011","19.7918","0.0016","90","","90","","90","","1945.9","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C68 H88 Cl4 N20 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.4859","","","0.071","0.038","","","","0.038","","","","","","1.173","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211210","12.5269","0.0003","6.6896","0.0002","25.244","0.0009","90","","93.856","0.002","90","","2110.66","0.11","120","2","120","2","","","","","","","Isabelle Kirby","4","P 1 21/n 1","-P 2yn","14","1,3(3-nitro)phenylurea with tma oac","","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C76 H100 N20 O28 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.1257","0.0605","","","0.1355","0.1634","","","","","","1.047","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211211","9.602","0.003","10.807","0.003","12.433","0.004","109.859","0.005","96.598","0.003","103.537","0.0005","1152.7","0.6","100","","100","2","","","","","","","Isabelle Kirby","4","P -1","-P 1","2","","1,3-bis(3,5-dinitrophenyl)urea with tetramethylacetate","","- C19 H23 N7 O11 -","- C19 H23 N7 O11 -","- C38 H46 N14 O22 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.6889","","","0.0471","0.0432","","","0.1179","0.1275","","","","","","1.076","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211212","21.8064","0.0019","4.6133","0.0003","12.5773","0.0011","90","","90","","90","","1265.27","0.18","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","1,3-bis(2-nitrophenyl)urea","","- C13 H10 N4 O5 -","- C13 H10 N4 O5 -","- C52 H40 N16 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","","0.71073","MoKα","","0.0621","0.0541","","","0.1238","0.1303","","","","","","1.098","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211213","7.771","0.003","11.172","0.004","12.177","0.005","91.74","0.03","104.56","0.03","95.27","0.03","1017.3","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1,3-bis(4-nitrophenyl)urea with tetramethylammonium acetate","","- C19 H25 N5 O7 -","- C19 H25 N5 O7 -","- C38 H50 N10 O14 -","2","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","neutron","","neutron","","0.0978","0.0868","","","0.184","0.1944","","","","","","1.066","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211214","6.812","0.003","14.403","0.005","19.79","0.007","90","","90","","90","","1941.7","1.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride","","- C17 H22 Cl N5 O5 -","- C17 H22 Cl N5 O5 -","- C68 H88 Cl4 N20 O20 -","4","1","","Kirby, Isabelle L.; Pitak, Mateusz B.; Wenzel, Marco; Wilson, Claire; Sparkes, Hazel A.; Coles, Simon J.; Gale, Philip A.","Systematic structural analysis of a series of anion receptor complexes","CrystEngComm","2013","15","44","9003","","10.1039/c3ce41503a","","neutron","","neutron","","0.0695","0.0695","","","0.1783","0.1783","","","","","","1.049","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211215","24.152","0.005","8.23","0.0016","23.368","0.005","90","","115.92","0.03","90","","4177.6","1.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N6 O2 -","- C24 H20 N6 O2 -","- C192 H160 N48 O16 -","8","1","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1688","0.0698","","","0.1801","0.228","","","","","","0.958","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211216","7.6423","0.0004","29.0929","0.0017","11.6687","0.0004","90","","92.778","0.003","90","","2591.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N7 O2 -","- C28 H27 N7 O2 -","- C112 H108 N28 O8 -","4","1","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1971","0.068","","","0.1357","0.1798","","","","","","0.929","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211217","20.064","0.003","20.064","0.003","13.088","0.003","90","","90","","90","","5268.8","1.6","173","2","173","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C100 H80 B4 F16 Fe4 N26 O9 -","- C100 H72 B4 F16 Fe4 N26 O9 -","- C200 H144 B8 F32 Fe8 N52 O18 -","2","0.25","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1164","0.089","","","0.2141","0.2278","","","","","","1.082","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211218","29.541","0.006","18.148","0.004","27.02","0.005","90","","90","","90","","14486","5","173","2","173","2","","","","","","","","7","P b a m","-P 2 2ab","55","","","","- C118 H103 F24 N31 O33 S8 Zn4 -","- C118 H80 F24 N31 O33 S8 Zn4 -","- C472 H320 F96 N124 O132 S32 Zn16 -","4","0.5","","Stefankiewicz, Artur R.; Harrowfield, Jack; Madalan, Augustin M.; Lehn, Jean-Marie","Tuning the planarity of [2 ×2] grids","CrystEngComm","2013","15","44","9128","","10.1039/c3ce41510d","","","0.71073","MoKα","","0.1333","0.0771","","","0.2242","0.2606","","","","","","1.052","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211219","16.724","0.002","23.732","0.003","14.189","0.003","90","","90","","90","","5631.5","1.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C26 H26 Cd N4 O10 -","- C26 H26 Cd N4 O10 -","- C208 H208 Cd8 N32 O80 -","8","2","","McCormick, Laura J.; Turner, David R.","Inclined 1D→2D polycatenation of chiral chains with large π-surfaces","CrystEngComm","2013","15","41","8234","","10.1039/c3ce41538d","","","0.71073","MoKα","","0.0337","0.0331","","","0.0876","0.0899","","","","","","1.096","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211220","10.184","0.001","24.895","0.003","10.777","0.002","90","","90","","90","","2732.3","0.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 Br F4 Li N4 O4 -","- C20 H28 Br F4 Li N4 O4 -","- C80 H112 Br4 F16 Li4 N16 O16 -","4","1","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.1071","0.0486","","","0.1171","0.144","","","","","","1.013","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211221","6.197","0.004","8.635","0.002","28.79","0.009","90","","90","","90","","1540.6","1.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 Cl F2 Li N2 O4 -","- C10 H6 Cl F2 Li N2 O4 -","- C40 H24 Cl4 F8 Li4 N8 O16 -","4","1","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.0395","0.0386","","","0.1069","0.1081","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211222","10.408","0.002","25.175","0.003","10.745","0.002","90","","90","","90","","2815.4","0.8","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C22 H40 Br Li N4 O4 -","- C19.84 H4 Br Li N4 O4 -","- C79.36 H16 Br4 Li4 N16 O16 -","4","0.5","","Wouters, Johan; Grepioni, Fabrizia; Braga, Dario; Kaminski, Rafal M.; Rome, Sandrine; Aerts, Luc; Quéré, Luc","Novel pharmaceutical compositions through co-crystallization of racetams and Li+ salts","CrystEngComm","2013","15","44","8898","","10.1039/c3ce41539b","","","1.54178","CuKα","","0.0696","0.0463","","","0.1184","0.1325","","","","","","1.039","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211223","10.8762","0.0002","10.9064","0.0002","12.251","0.0002","75.952","0.001","76.275","0.001","78.378","0.001","1353.45","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Au Eu N10 O6 -","- C23 H16 Au Eu N10 O6 -","- C46 H32 Au2 Eu2 N20 O12 -","2","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0383","0.0274","","0.0247","0.0194","0.0192","","","","","","1.1411","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211224","10.8442","0.0002","10.8853","0.0002","12.2574","0.0003","75.733","0.001","76.437","0.001","78.82","0.001","1348.86","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Au N10 O6 Tb -","- C23 H16 Au N10 O6 Tb -","- C46 H32 Au2 N20 O12 Tb2 -","2","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0413","0.0293","","0.0278","0.0233","0.0228","","","","","","1.1422","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211225","10.847","0.002","10.8781","0.0019","12.255","0.002","75.675","0.01","76.336","0.009","78.43","0.01","1345.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H16 Au Gd N10 O6 -","- C23 H16 Au Gd N10 O6 -","- C46 H32 Au2 Gd2 N20 O12 -","2","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0254","0.0203","","0.0164","0.0152","0.0151","","","","","","1.1238","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211226","15.3869","0.0003","17.6799","0.0003","18.9791","0.0004","90","","90","","90","","5163.05","0.17","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Au3 Eu N18 -","- C48 H32 Au3 Eu N18 -","- C192 H128 Au12 Eu4 N72 -","4","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0403","0.0303","","","0.0561","0.0599","","","","","","0.9","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211227","15.366","0.002","17.645","0.002","18.959","0.003","90","","90","","90","","5140.4","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Au3 Gd N18 -","- C48 H29 Au3 Gd N18 -","- C192 H116 Au12 Gd4 N72 -","4","1","","Thompson, John R.; Roberts, Ryan J.; Williams, Vance E.; Leznoff, Daniel B.","Birefringent, emissive coordination polymers incorporating bis(benzimidazole)pyridine as an anisotropic building block","CrystEngComm","2013","15","45","9387","","10.1039/c3ce41556b","","","0.71073","MoKα","","0.0361","0.0278","","","0.051","0.0531","","","","","","0.973","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211228","14.0972","0.0011","8.2977","0.0008","15.9525","0.0014","90","","104.203","0.007","90","","1809","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N5 O3 Pb -","- C14 H14 Cl N5 O3 Pb -","- C56 H56 Cl4 N20 O12 Pb4 -","4","1","","Hashemi, Lida; Morsali, Ali","Solid state structural transformation of 1D to intermediate 2D and then to 3D porous coordination polymer by anion replacement; new precursors for preparation of PbCl2, Pb3O2Cl2 and PbO nanoparticles","CrystEngComm","2013","15","44","8894","","10.1039/c3ce41566j","","","0.71073","MoKα","","0.107","0.0777","","","0.1703","0.1821","","","","","","1.111","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211229","12.805","0.001","4.0989","0.0003","16.246","0.001","90","","96.729","0.001","90","","846.82","0.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H14 Cl2 N4 Pb -","- C14 H14 Cl2 N4 Pb -","- C28 H28 Cl4 N8 Pb2 -","2","0.5","","Hashemi, Lida; Morsali, Ali","Solid state structural transformation of 1D to intermediate 2D and then to 3D porous coordination polymer by anion replacement; new precursors for preparation of PbCl2, Pb3O2Cl2 and PbO nanoparticles","CrystEngComm","2013","15","44","8894","","10.1039/c3ce41566j","","","0.71073","MoKα","","0.0157","0.0155","","","0.0388","0.0389","","","","","","1.06","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211230","11.4008","0.0014","9.6644","0.0011","16.7665","0.0019","90","","96.393","0.003","90","","1835.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Cl Cu O2 S2 -","- C18 H20 Cl Cu O2 S2 -","- C72 H80 Cl4 Cu4 O8 S8 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.0922","0.0429","","","0.1011","0.1365","","","","","","1.016","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211231","19.6238","0.0008","9.2933","0.0004","22.3113","0.0009","90","","114.138","0.002","90","","3713.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Br2 Cu2 O4 S4 -","- C36 H40 Br2 Cu2 O4 S4 -","- C144 H160 Br8 Cu8 O16 S16 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.0949","0.0441","","","0.0986","0.1281","","","","","","0.855","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211232","11.814","0.012","14.973","0.015","11.418","0.012","90","","105.401","0.019","90","","1947","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cu N O2 S3 -","- C19 H20 Cu N O2 S3 -","- C76 H80 Cu4 N4 O8 S12 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.1484","0.0898","","","0.1817","0.1996","","","","","","1.043","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211233","12.9194","0.0005","19.501","0.0006","8.3487","0.0003","90","","93.55","0.002","90","","2099.35","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Br2 Hg O2 S2 -","- C18 H20 Br2 Hg O2 S2 -","- C72 H80 Br8 Hg4 O8 S8 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.054","0.0364","","","0.0724","0.0785","","","","","","1.017","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211234","12.9144","0.0003","8.0371","0.0002","25.7905","0.0006","90","","100.243","0.001","90","","2634.24","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Hg2 I4 O2 S2 -","- C18 H20 Hg2 I4 O2 S2 -","- C72 H80 Hg8 I16 O8 S8 -","4","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.095","0.0788","","","0.1988","0.2137","","","","","","1.039","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211235","8.8401","0.0002","9.9305","0.0002","12.666","0.0003","80.608","0.001","73.482","0.001","80.915","0.001","1044.39","0.04","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 N2 O8 Pd S2 -","- C18 H20 N2 O8 Pd S2 -","- C36 H40 N4 O16 Pd2 S4 -","2","1","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.0267","0.0241","","","0.0581","0.0601","","","","","","1.015","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211236","12.1618","0.0003","12.8043","0.0003","19.3631","0.0004","71.46","0.001","74.748","0.001","88.068","0.002","2753.99","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H40 N2 O10 Pd S4 -","- C36 H40 N2 O10 Pd S4 -","- C108 H120 N6 O30 Pd3 S12 -","3","1.5","","Kim, Seulgi; Lee, Eunji; Park, Ki-Min; Lee, Shim Sung","Exocyclic coordination chemistry of an O2S2-macrocycle with copper(i), mercury(ii) and palladium(ii) ions","CrystEngComm","2013","15","42","8544","","10.1039/c3ce41573b","","","0.71073","MoKα","","0.074","0.0458","","","0.0887","0.0995","","","","","","1.033","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211237","23.695","0.001","26.6618","0.001","7.2913","0.0005","90","","95.95","0.01","90","","4581.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 Bi Cl4 N4 O2 -","- C20 H17 Bi Cl4 N4 O2 -","- C160 H136 Bi8 Cl32 N32 O16 -","8","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.0999","0.0343","","","0.0441","0.0554","","","","","","1.018","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211238","18.8244","0.0008","9.7773","0.0002","16.519","0.0007","90","","94.968","0.005","90","","3028.93","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Bi Cl4 N2 O -","- C10 H9 Bi Cl4 N2 O -","- C80 H72 Bi8 Cl32 N16 O8 -","8","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.1204","0.0446","","","0.0513","0.0626","","","","","","1.034","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211239","10.1031","0.0006","12.8928","0.0005","12.5741","0.001","90","","104.077","0.006","90","","1588.68","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Bi2 Br8 N4 O2 -","- C20 H18 Bi2 Br8 N4 O2 -","- C40 H36 Bi4 Br16 N8 O4 -","2","0.5","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.0764","0.0375","","","0.0509","0.0583","","","","","","1.038","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211240","8.4049","0.0008","21.2014","0.0018","9.3965","0.0006","90","","107.241","0.005","90","","1599.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H9 Bi Br4 N2 O -","- C10 H9 Bi Br4 N2 O -","- C40 H36 Bi4 Br16 N8 O4 -","4","1","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","","0.71073","MoKα","","0.1326","0.0517","","","0.0973","0.1205","","","","","","1.008","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211241","19.2567","0.0008","13.3429","0.0005","12.3084","0.0007","90","","107.434","0.003","90","","3017.2","0.2","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H25 Bi Cl6 N4 O3 S -","- C22 H25 Bi Cl6 N4 O3 S -","- C88 H100 Bi4 Cl24 N16 O12 S4 -","4","0.5","","Toma, Oksana; Mercier, Nicolas; Allain, Magali; Botta, Chiara","Protonated N-oxide-4,4′-bipyridine: from luminescent BiIII complexes to hybrids based on H-bonded dimers or H-bonded open 2D square supramolecular networks","CrystEngComm","2013","15","42","8565","","10.1039/c3ce41579a","","x-ray","0.71073","MoKα","","0.1143","0.0355","","","0.05","0.0607","","","","","","0.966","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211242","10.1639","0.0004","16.0423","0.0006","16.2284","0.0006","90","","102.593","0.001","90","","2582.42","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H20 N2 O6 Zn -","- C30 H20 N2 O6 Zn -","- C120 H80 N8 O24 Zn4 -","4","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.043","0.0298","","","0.077","0.0828","","","","","","1.03","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211243","8.7642","0.0006","31.696","0.002","10.7597","0.0007","90","","110.882","0.001","90","","2792.6","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H28 N4 Ni O7 -","- C30 H26 N4 Ni O7 -","- C120 H104 N16 Ni4 O28 -","4","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.0605","0.0505","","","0.1347","0.1442","","","","","","1.063","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211244","18.281","0.002","36.104","0.004","17.145","0.002","90","","90","","90","","11316","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C33 H26 N2 Ni O6 -","- C33 H26 N2 Ni O6 -","- C528 H416 N32 Ni16 O96 -","16","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.1008","0.0489","","","0.0911","0.1078","","","","","","1.002","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211245","10.9446","0.0009","15.2526","0.0012","16.0944","0.0013","102.793","0.001","105.421","0.001","99.034","0.001","2458.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 Cd2 N4 O14 -","- C54 H38 Cd2 N4 O14 -","- C108 H76 Cd4 N8 O28 -","2","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.074","0.0283","","","0.0739","0.0895","","","","","","0.859","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211246","11.0578","0.0005","11.4735","0.0005","28.3323","0.0012","94.696","0.001","90.345","0.001","95.797","0.001","3563.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H54 Mn3 N4 O19 -","- C84 H52 Mn3 N4 O19 -","- C168 H104 Mn6 N8 O38 -","2","1","","Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan","Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties","CrystEngComm","2013","15","44","9112","","10.1039/c3ce41623b","","","0.71073","MoKα","","0.0629","0.0398","","","0.0991","0.1098","","","","","","1.047","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211247","9.3588","0.0013","12.8986","0.0018","13.0717","0.0019","90","","97.534","0.002","90","","1564.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O7 U -","- C13 H18 N2 O7 U -","- C52 H72 N8 O28 U4 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0154","0.0137","","","0.0315","0.032","","","","","","1.084","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211248","28.995","0.003","32.585","0.004","9.3986","0.0011","90","","90","","90","","8879.8","1.8","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H4 N2 O18 U2 -","- C14 H4 N2 O18 U2 -","- C224 H64 N32 O288 U32 -","16","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0497","0.0432","","","0.1018","0.1045","","","","","","1.128","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211249","10.327","0.003","12.129","0.003","15.073","0.004","90","","106.288","0.008","90","","1812.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H2 N O13 U2 -","- C7 H2 N O13 U2 -","- C28 H8 N4 O52 U8 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0524","0.0381","","","0.0977","0.1045","","","","","","0.963","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211250","10.0704","0.001","8.3162","0.0008","13.624","0.0013","90","","106.031","0.001","90","","1096.61","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H4 N2 O18 U3 -","- C14 H4 N2 O18 U3 -","- C28 H8 N4 O36 U6 -","2","0.5","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0458","0.0306","","","0.0572","0.0622","","","","","","0.998","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211251","12.362","0.002","9.9067","0.0016","22.294","0.004","90","","98.383","0.002","90","","2701.1","0.8","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H8 N5 O48 Sm7 U2 -","- C28 H8 N5 O48 Sm7 U2 -","- C56 H16 N10 O96 Sm14 U4 -","2","0.5","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0566","0.0473","","","0.1012","0.1052","","","","","","1.045","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211252","8.8835","0.0008","9.2545","0.0008","28.075","0.003","90","","90","","90","","2308.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H4 Cl2 N2 O15 U2 -","- C14 H4 Cl2 N2 O15 U2 -","- C56 H16 Cl8 N8 O60 U8 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0277","0.0253","","","0.0551","0.0559","","","","","","1.071","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211253","9.3706","0.0005","9.2284","0.0005","24.2878","0.0012","90","","92.128","0.001","90","","2098.85","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H6 Cl2 N2 O14 U2 -","- C14 H6 Cl2 N2 O14 U2 -","- C56 H24 Cl8 N8 O56 U8 -","4","1","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0212","0.0196","","","0.0441","0.0445","","","","","","1.186","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211254","28.157","0.006","10.174","0.002","13.23","0.003","90","","91.302","0.003","90","","3789","1.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H8 Cl4 N4 Na2 O24 U3 -","- C28 H8 Cl4 N4 Na2 O24 U3 -","- C112 H32 Cl16 N16 Na8 O96 U12 -","4","0.5","","Cantos, Paula M.; Pope, Simon J. A.; Cahill, Christopher L.","An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies","CrystEngComm","2013","15","44","9039","","10.1039/c3ce41655k","","","0.71073","MoKα","","0.0467","0.0312","","","0.0678","0.0759","","","","","","0.831","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211255","33.4782","0.0019","9.1734","0.0005","17.5749","0.001","90","","90","","90","","5397.4","0.5","123","2","123","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C58 H74 N2 O14 -","- C58 H74 N2 O14 -","- C232 H296 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.058","0.0457","","","0.1154","0.1241","","","","","","1.052","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211256","34.399","0.004","9.4442","0.0011","17.646","0.002","90","","95.37","0.001","90","","5707.5","1.1","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H82 N2 O14 -","- C62 H82 N2 O14 -","- C248 H328 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.0777","0.0459","","","0.1021","0.1172","","","","","","1.02","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211257","36.8591","0.0018","9.2839","0.0005","18.0544","0.0009","90","","90.634","0.001","90","","6177.8","0.5","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H90 N2 O14 -","- C66 H90 N2 O14 -","- C264 H360 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.0743","0.0502","","","0.1152","0.1283","","","","","","1.034","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211258","36.162","0.012","9.347","0.003","17.877","0.006","90","","112.125","0.004","90","","5598","3","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H78 N2 O14 -","- C62 H78 N2 O14 -","- C248 H312 N8 O56 -","4","0.5","","Sekiya, Ryo; Yamasaki, Yutaro; Katayama, Susumu; Shio, Hidemi; Haino, Takeharu","Head-to-tail polymeric columnar structure of calix[4]arene possessing catechol arms in the solid state","CrystEngComm","2013","15","42","8404","","10.1039/c3ce41660g","","x-ray","0.71073","MoKα","","0.059","0.0438","","","0.1086","0.1173","","","","","","1.055","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211259","8.8079","0.0004","12.2447","0.0004","12.525","0.0006","90","","90","","90","","1350.82","0.1","115","2","115","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 Ag Cl N O4 -","- C12 H15 Ag Cl N O4 -","- C48 H60 Ag4 Cl4 N4 O16 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.019","0.0181","","","0.0448","0.0451","","","","","","1.054","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211260","12.6852","0.0004","8.1924","0.0003","12.8192","0.0005","90","","99.738","0.002","90","","1313","0.08","114","2","114","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Ag Cl N2 O4 -","- C11 H14 Ag Cl N2 O4 -","- C44 H56 Ag4 Cl4 N8 O16 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0236","0.0216","","","0.0565","0.058","","","","","","1.105","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211261","15.3229","0.0009","21.2905","0.0011","8.0381","0.0004","90","","90","","90","","2622.3","0.2","114","2","114","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H26 Ag2 Cl2 N6 O8 -","- C20 H26 Ag2 Cl2 N6 O8 -","- C80 H104 Ag8 Cl8 N24 O32 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0832","0.0478","","","0.108","0.1199","","","","","","0.935","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211262","11.6969","0.0003","12.974","0.0003","20.015","0.0005","90","","90","","90","","3037.39","0.13","114","2","114","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 Ag2 F6 N6 O7 S2 -","- C22 H28 Ag2 F6 N6 O7 S2 -","- C88 H112 Ag8 F24 N24 O28 S8 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0237","0.021","","","0.0423","0.0431","","","","","","0.995","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211263","7.8652","0.0003","14.0587","0.0005","14.8864","0.0006","113.746","0.002","92.329","0.002","90.687","0.002","1504.73","0.1","117","2","117.15","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Ag2 F6 N4 O6 S4 -","- C20 H24 Ag2 F6 N4 O6 S4 -","- C40 H48 Ag4 F12 N8 O12 S8 -","2","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0578","0.0451","","","0.1241","0.1297","","","","","","1.25","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211264","12.1378","0.0004","10.7654","0.0003","13.2121","0.0004","90","","111.584","0.002","90","","1605.35","0.09","116","2","116","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 Ag Cl N2 O4 -","- C15 H16 Ag Cl N2 O4 -","- C60 H64 Ag4 Cl4 N8 O16 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Diallylaminoarenes: a new class of versatile ligands for silver(i) that consistently lead to one-dimensional polymeric metallosupramolecular assemblies","CrystEngComm","2013","15","44","9064","","10.1039/c3ce41707g","","","0.71073","MoKα","","0.0494","0.0362","","","0.1012","0.1068","","","","","","0.981","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211265","10.9576","0.0004","12.0044","0.0004","12.122","0.0004","65.317","0.002","70.029","0.002","76.155","0.002","1352.96","0.08","114","2","114","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H28 Ag2 Cl3 N5 O10 -","- C18 H28 Ag2 Cl3 N5 O10 -","- C36 H56 Ag4 Cl6 N10 O20 -","2","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0408","0.0313","","","0.0786","0.0818","","","","","","1.054","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211266","41.519","0.006","41.519","0.006","9.1478","0.0018","90","","90","","120","","13657","4","114","2","114","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C17 H20 Ag2 Cl F6 N5 O6 S2 -","- C17 H20 Ag2 Cl F6 N5 O6 S2 -","- C306 H360 Ag36 Cl18 F108 N90 O108 S36 -","18","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0508","0.0453","","","0.1406","0.1463","","","","","","1.046","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211267","12.404","0.0004","22.1684","0.0008","23.4044","0.0008","90","","97.655","0.002","90","","6378.3","0.4","112","2","112","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Ag2 F6 N5 O6 S2 -","- C24 H31 Ag2 F6 N5 O6 S2 -","- C192 H248 Ag16 F48 N40 O48 S16 -","8","2","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0656","0.0474","","","0.1183","0.1307","","","","","","1.022","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211268","10.4069","0.0002","13.8557","0.0004","37.5419","0.001","90","","90","","90","","5413.3","0.2","117","2","117","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H60 Ag4 Cl4 N12 O16 -","- C42 H60 Ag4 Cl4 N12 O16 -","- C168 H240 Ag16 Cl16 N48 O64 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0411","0.037","","","0.0897","0.0919","","","","","","1.132","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211269","15.867","0.0007","12.8111","0.0005","18.0525","0.0008","90","","93.503","0.002","90","","3662.7","0.3","114","2","114","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Ag3 F9 N6 O9 S3 -","- C24 H30 Ag3 F9 N6 O9 S3 -","- C96 H120 Ag12 F36 N24 O36 S12 -","4","1","","Kelemu, Solomon W.; Steel, Peter J.","Highly pyramidalised heteroaromatic nitrogens in discrete multinuclear silver(i) complexes assembled from bis- and tris-(diallylamino)azines","CrystEngComm","2013","15","44","9072","","10.1039/c3ce41708e","","","0.71073","MoKα","","0.0518","0.032","","","0.0636","0.0681","","","","","","0.977","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211270","8.9539","0.0002","37.2276","0.0006","9.1021","0.0002","90","","90.1219","0.0016","90","","3034.02","0.11","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","1-butyl-3-methylimidazolium tetrakis(hexafluoroisopropoxy)borate","[C4MIM][B(hfip)4]","","- C20 H19 B F24 N2 O4 -","- C20 H19 B F24 N2 O4 -","- C80 H76 B4 F96 N8 O16 -","4","2","","Beichel, Witali; Yu, Yang; Dlubek, Günter; Krause-Rehberg, Reinhard; Pionteck, Jürgen; Pfefferkorn, Dirk; Bulut, Safak; Bejan, Dana; Friedrich, Christian; Krossing, Ingo","Free volume in ionic liquids: a connection of experimentally accessible observables from PALS and PVT experiments with the molecular structure from XRD data.","Physical chemistry chemical physics : PCCP","2013","15","22","8821","8830","10.1039/c3cp43306d","","x-ray","0.71073","MoKα","K-L~3~","0.0671","0.0468","","","0.1146","0.1294","","","","","","1.142","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7211271","16.0167","0.0007","16.0167","0.0007","17.0905","0.0015","90","","90","","90","","4384.3","0.5","120","2","120","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C22 H36 Br I12 N -","- C22 H36 Br I12 N -","- C88 H144 Br4 I48 N4 -","4","0.125","","Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation.","Physical chemistry chemical physics : PCCP","2013","15","12","4320","4328","10.1039/c3cp43865a","","","0.71073","MoKα","","0.0557","0.0513","","","0.1363","0.1406","","","","","","1.126","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211272","15.9134","0.0008","15.9134","0.0008","17.0463","0.0018","90","","90","","90","","4316.7","0.5","110","2","110","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C22 H36 Cl I12 N -","- C22 H36 Cl I12 N -","- C88 H144 Cl4 I48 N4 -","4","0.125","","Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation.","Physical chemistry chemical physics : PCCP","2013","15","12","4320","4328","10.1039/c3cp43865a","","","0.71073","MoKα","","0.0571","0.0517","","","0.1305","0.1342","","","","","","1.137","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211273","9.003","0.003","9.062","0.003","19.036","0.007","81.642","0.006","80.716","0.006","64.652","0.006","1380.1","0.8","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H36 I5 N -","- C18 H36 I5 N -","- C36 H72 I10 N2 -","2","1","","Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation.","Physical chemistry chemical physics : PCCP","2013","15","12","4320","4328","10.1039/c3cp43865a","","","0.71073","MoKα","","0.0911","0.0778","","","0.2239","0.2441","","","","","","1.018","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211274","14.979","0.003","4.3028","0.0008","12.748","0.002","90","","108.508","0.003","90","","779.1","0.2","110","2","110","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C2 I4 -","- C2 I4 -","- C8 I16 -","4","1","","Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation.","Physical chemistry chemical physics : PCCP","2013","15","12","4320","4328","10.1039/c3cp43865a","","","0.71073","MoKα","","0.0413","0.0397","","","0.0886","0.0893","","","","","","1.251","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211275","13.4297","0.0011","14.0614","0.0012","15.1348","0.0013","98.12","0.001","101.36","0.001","106.241","0.001","2631.1","0.4","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H36 Br I4 N -","- C18 H36 Br I4 N -","- C72 H144 Br4 I16 N4 -","4","2","","Wang, Hui; Zhao, Xiao Ran; Jin, Wei Jun","The C-I···X¯ halogen bonding of tetraiodoethylene with halide anions in solution and cocrystals investigated by experiment and calculation.","Physical chemistry chemical physics : PCCP","2013","15","12","4320","4328","10.1039/c3cp43865a","","","0.71073","MoKα","","0.0435","0.0337","","","0.0699","0.0742","","","","","","1.029","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211276","16.8008","0.0005","17.0945","0.0005","28.2942","0.001","83.338","0.002","84.698","0.002","62.656","0.002","7162.4","0.4","113","2","113","2","","","","","","","Synthesized by the authors. See text","7","P -1","-P 1","2","","","","- C148 H128 Au8 Cl8 N2 O6 P8 -","- C148 H128 Au8 Cl8 N2 O6 P8 -","- C296 H256 Au16 Cl16 N4 O12 P16 -","2","1","","Anderson, David P.; Alvino, Jason F.; Gentleman, Alexander; Qahtani, Hassan Al; Thomsen, Lars; Polson, Matthew I. J.; Metha, Gregory F.; Golovko, Vladimir B.; Andersson, Gunther G.","Chemically-synthesised, atomically-precise gold clusters deposited and activated on titania.","Physical chemistry chemical physics : PCCP","2013","15","11","3917","3929","10.1039/c3cp44005b","","","0.71073","MoKα","","0.1241","0.0634","","","0.1305","0.1446","","","","","","0.946","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211277","22.5484","0.0008","18.1152","0.0006","34.6185","0.0012","90","","95.997","0.002","90","","14063.2","0.8","113","2","113","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C289 H242 Au22 Cl8 P16 -","- C289 H242 Au22 Cl8 P16 -","- C578 H484 Au44 Cl16 P32 -","2","0.5","","Anderson, David P.; Alvino, Jason F.; Gentleman, Alexander; Qahtani, Hassan Al; Thomsen, Lars; Polson, Matthew I. J.; Metha, Gregory F.; Golovko, Vladimir B.; Andersson, Gunther G.","Chemically-synthesised, atomically-precise gold clusters deposited and activated on titania.","Physical chemistry chemical physics : PCCP","2013","15","11","3917","3929","10.1039/c3cp44005b","","","0.71073","MoKα","","0.1329","0.057","","","0.1319","0.1614","","","","","","1.024","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211278","19.838","0.008","8.085","0.003","17.795","0.007","90","","120.77","0.007","90","","2452.4","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H30 N3 Ni S4 -","- C22 H30 N3 Ni S4 -","- C88 H120 N12 Ni4 S16 -","4","0.5","","Li, Xin-Yu; Sun, Yong-Gang; Huo, Peng; Shao, Ming-Yan; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system.","Physical chemistry chemical physics : PCCP","2013","15","11","4016","4023","10.1039/c3cp44054k","","","0.7107","MoKα","","0.0809","0.059","","","0.1269","0.1385","","","","","","1.08","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211279","7.696","0.002","9.276","0.003","14.063","0.005","83.413","0.014","83.083","0.014","70.712","0.011","937.7","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 Cl N2 Ni O5 S4 -","- C14 H12 Cl N2 Ni O5 S4 -","- C28 H24 Cl2 N4 Ni2 O10 S8 -","2","1","","Li, Xin-Yu; Sun, Yong-Gang; Huo, Peng; Shao, Ming-Yan; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system.","Physical chemistry chemical physics : PCCP","2013","15","11","4016","4023","10.1039/c3cp44054k","","","0.71075","MoKα","","0.081","0.0593","","","0.104","0.1125","","","","","","1.099","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211280","9.049","0.004","11.691","0.006","14.982","0.007","90","","96.088","0.009","90","","1576","1.3","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H33 N4 Ni O5 S5 -","- C27 H33 N4 Ni O5 S5 -","- C54 H66 N8 Ni2 O10 S10 -","2","1","","Li, Xin-Yu; Sun, Yong-Gang; Huo, Peng; Shao, Ming-Yan; Ji, Shu-Fang; Zhu, Qin-Yu; Dai, Jie","Metal centered oxidation or ligand centered oxidation of metal dithiolene? Spectral, electrochemical and structural studies on a nickel-4-pyridine-1,2-dithiolate system.","Physical chemistry chemical physics : PCCP","2013","15","11","4016","4023","10.1039/c3cp44054k","","","0.71075","MoKα","","0.0933","0.0662","","","0.1017","0.1129","","","","","","1.068","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211281","12.897","0.001","17.499","0.002","17.785","0.002","85.433","0.008","69.071","0.009","70.433","0.009","3528.8","0.7","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H72 N4 Na2 O12 -","- C96 H72 N4 Na2 O12 -","- C192 H144 N8 Na4 O24 -","2","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions.","Physical chemistry chemical physics : PCCP","2013","15","23","9136","9144","10.1039/c3cp44359k","","","0.7107","MoKα","","0.1299","0.0803","","","0.2091","0.2434","","","","","","1.08","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211282","26.826","0.003","16.3245","0.0014","24.427","0.002","90","","93.108","0.007","90","","10681.4","1.7","175","2","175","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C141 H77 Cl2 N5 Na2 O12 -","- C141 H77 Cl2 N5 Na2 O12 -","- C564 H308 Cl8 N20 Na8 O48 -","4","1","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions.","Physical chemistry chemical physics : PCCP","2013","15","23","9136","9144","10.1039/c3cp44359k","","","0.7107","MoKα","","0.1424","0.0707","","","0.1981","0.2401","","","","","","0.984","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211283","11.9324","0.0004","23.1418","0.0008","17.7613","0.0006","90","","99.424","0.003","90","","4838.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C144 H68 Cl4 N2 P4 -","- C143.988 H67.99 Cl4 N2 P4 -","- C287.976 H135.98 Cl8 N4 P8 -","2","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions.","Physical chemistry chemical physics : PCCP","2013","15","23","9136","9144","10.1039/c3cp44359k","","","0.71073","MoKα","","0.0602","0.0489","","","0.1135","0.1192","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211284","29.656","0.003","13.5007","0.0009","14.8007","0.0015","90","","113.549","0.012","90","","5432.3","1","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C86 H42 Cl4 N4 -","- C86 H42 Cl4 N4 -","- C344 H168 Cl16 N16 -","4","0.5","","Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.","Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions.","Physical chemistry chemical physics : PCCP","2013","15","23","9136","9144","10.1039/c3cp44359k","","","0.71073","MoKα","","0.0763","0.0588","","","0.1564","0.1656","","","","","","1.053","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211285","12.8751","0.0008","15.0096","0.001","15.4142","0.001","113.342","0.006","107.797","0.006","99.46","0.005","2461.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H44 B Cl6 F2 N5 S -","- C51 H44 B Cl6 F2 N5 S -","- C102 H88 B2 Cl12 F4 N10 S2 -","2","1","","Bai, Dan; Benniston, Andrew C.; Hagon, Jerry; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.","Tuning the Förster overlap integral: energy transfer over 20 Ångstroms from a pyrene-based donor to borondipyrromethene (Bodipy).","Physical chemistry chemical physics : PCCP","2013","15","24","9854","9861","10.1039/c3cp50173f","","","1.54178","CuKα","","0.1285","0.0931","","","0.2659","0.2952","","","","","","1.066","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211286","5.7787","0.0002","17.0131","0.0007","7.9775","0.0002","90","","90.043","0.002","90","","784.3","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C4 H9 O3 Re S -","- C4 H9 O3 Re S -","- C16 H36 O12 Re4 S4 -","4","2","","Saleh, Nidal; Zrig, Samia; Roisnel, Thierry; Guy, Laure; Bast, Radovan; Saue, Trond; Darquié, Benoît; Crassous, Jeanne","A chiral rhenium complex with predicted high parity violation effects: synthesis, stereochemical characterization by VCD spectroscopy and quantum chemical calculations.","Physical chemistry chemical physics : PCCP","2013","15","26","10952","10959","10.1039/c3cp50199j","","x-ray","0.71073","MoKα","","0.0504","0.0355","","","0.084","0.0944","","","","","","1.025","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211287","16.95","0.003","9.6195","0.0015","20.795","0.003","90","","93.618","0.005","90","","3383.9","0.9","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 Bi N3 S6 -","- C39 H24 Bi N3 S6 -","- C156 H96 Bi4 N12 S24 -","4","1","","Liu, Gao-Yan; Xu, Ling-Yun; Zhou, Feng; Zhang, Yong; Li, Hua; Xu, Qing Feng; Lu, Jian Mei","Dynamic random access memory devices based on bismuth sulfide nanoplates prepared from a single source precursor.","Physical chemistry chemical physics : PCCP","2013","15","27","11554","11558","10.1039/c3cp50700a","","","","","","0.124","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211288","4.7127","0.0018","5.203","0.002","3.2439","0.0013","90","","90","","90","","79.54","0.05","293","","293","","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- F1.159 H0.841 Mn O0.841 -","- F1.16 H0.84 Mn O0.84 -","- F2.32 H1.68 Mn2 O1.68 -","2","0.5","","Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori; Avdeev, Maxim; Liu, Samuel; Ling, Chris D.","Synthesis and characterization of the crystal structure and magnetic properties of the hydroxyfluoride MnF(2-x)(OH)x (x ~ 0.8).","Physical chemistry chemical physics : PCCP","2013","15","31","13061","13069","10.1039/c3cp50740h","","","0.71073","MoKα","","0.0385","0.0385","","","0.0812","0.0812","","","","1.15","1.15","1.15","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211289","9.692","0.002","19.705","0.005","21.494","0.005","90","","100.178","0.003","90","","4040.3","1.6","120","2","120.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C200 H192 N16 -","8","2","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","","0.6889","synchrotron","","0.0971","0.0559","","","0.1293","0.1471","","","","","","1.001","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211290","36.809","0.006","12.205","0.002","8.9185","0.0015","90","","95.551","0.002","90","","3987.9","1.1","120","","393","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 N2 -","- C25 H24 N2 -","- C200 H192 N16 -","8","2","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","","0.6889","synchrotron","","0.0925","0.0834","","","0.2142","0.2205","","","","","","1.035","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211291","12.6166","0.0002","12.1515","0.0002","26.519","0.0004","90","","98.306","0.0004","90","","4023","0.11","99.98","","99.98","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 N4 -","- C50 H46 N4 -","- C200 H184 N16 -","4","1","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","x-ray","1.54188","CuKα","K-L~3~","0.038","0.0353","","","0.0882","0.0903","","","","","","1.031","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211292","8.8877","0.0001","23.4338","0.0004","10.4997","0.0002","90","","114.417","0.0003","90","","1991.21","0.06","100.01","","100.01","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 N4 O2 -","- C50 H46 N4 O2 -","- C100 H92 N8 O4 -","2","0.5","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","x-ray","1.54188","CuKα","K-L~3~","0.0363","0.035","","","0.0897","0.0907","","","","","","1.03","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211293","18.7885","0.0005","10.0808","0.0003","21.5264","0.0005","90","","102.418","0.001","90","","3981.78","0.18","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 N4 O2 -","- C50 H46 N4 O2 -","- C200 H184 N16 O8 -","4","0.5","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","x-ray","1.54188","CuKα","K-L~3~","0.0382","0.0367","","","0.0963","0.0976","","","","","","1.017","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211294","16.1305","0.001","15.4759","0.0006","16.6219","0.0006","90","","94.267","0.001","90","","4137.9","0.3","160","","160","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C50 H46 N4 O2 -","- C50 H46 N4 O2 -","- C200 H184 N16 O8 -","4","0.5","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","x-ray","1.54188","CuKα","K-L~3~","0.052","0.0498","","","0.1357","0.1379","","","","","","1.022","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211295","16.0313","0.0004","30.9627","0.0009","16.5171","0.0005","90","","93.792","0.001","90","","8180.7","0.4","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 N4 O2 -","- C50 H46 N4 O2 -","- C400 H368 N32 O16 -","8","2","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","x-ray","1.54188","CuKα","K-L~3~","0.0637","0.0577","","","0.1604","0.1659","","","","","","1.076","","","","has coordinates,has disorder","180443","2020-10-21","18:00:00",""
"7211296","12.1735","0.0002","12.2821","0.0003","15.1686","0.0003","111.605","0.0004","101.149","0.0004","98.891","0.0005","2004.46","0.07","100","","373.15","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H46 N4 -","- C50 H46 N4 -","- C100 H92 N8 -","2","1","","Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew","The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.","Physical chemistry chemical physics : PCCP","2013","15","20","7848","7853","10.1039/c3cp50757b","","x-ray","1.54188","CuKα","K-L~3~","0.0381","0.0373","","","0.0937","0.0943","","","","","","1.036","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211297","7.4931","0.0015","10.855","0.002","15.27","0.003","86.57","0.03","88.5","0.03","79.38","0.03","1218.4","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H15 Cl3 N4 O2 S -","- C27 H15 Cl3 N4 O2 S -","- C54 H30 Cl6 N8 O4 S2 -","2","1","","Chen, Songhua; Qin, Zhihong; Liu, Taifeng; Wu, Xingzhi; Li, Yongjun; Liu, Huibiao; Song, Yinglin; Li, Yuliang","Aggregation-induced emission on benzothiadiazole dyads with large third-order optical nonlinearity.","Physical chemistry chemical physics : PCCP","2013","15","30","12660","12666","10.1039/c3cp51273h","","","0.71073","MoKα","","0.1374","0.0933","","","0.1526","0.1706","","","","","","1.135","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211298","13.8385","0.0008","13.8385","","7.8284","0.0008","90","","90","","120","","1298.32","0.15","298","","298","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- B2 H19.69 Mg N5.85 -","- B2 H19.6906 Mg N5.8453 -","- B12 H118.144 Mg6 N35.0718 -","6","0.5","","He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping","Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.","Physical chemistry chemical physics : PCCP","2013","15","25","10487","10493","10.1039/c3cp51473k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.07125","","1.65","","","","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211299","7.693","0.0007","11.9132","0.0012","6.8954","0.0011","90","","90","","90","","631.95","0.13","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- B H6 Li N -","- B H6 Li N -","- B8 H48 Li8 N8 -","8","2","","He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping","Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.","Physical chemistry chemical physics : PCCP","2013","15","25","10487","10493","10.1039/c3cp51473k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.10008","","1.71","","","","","","","has coordinates","180443","2020-10-21","18:00:00",""
"7211300","7.8984","0.0007","7.0663","0.0006","7.4985","0.0006","90","","93.339","0.004","90","","417.8","0.06","298","","298","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- B3 H16 Li3 N2 -","- B3 H16 Li3 N2 -","- B6 H32 Li6 N4 -","2","1","","He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping","Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.","Physical chemistry chemical physics : PCCP","2013","15","25","10487","10493","10.1039/c3cp51473k","powder diffraction","x-ray","1.5406","CuKα","","","","","","","","0.11371","","1.15","","","","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211301","27.6303","0.001","4.10757","0.00017","19.1097","0.0006","90","","110.163","0.003","90","","2035.91","0.13","120","2","123","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C24 H18 N4 O3 -","- C24 H18 N4 O3 -","- C96 H72 N16 O12 -","4","1","","Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M","The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties.","Physical chemistry chemical physics : PCCP","2013","15","31","13013","13023","10.1039/c3cp51957k","","","1.54184","CuKα","","0.0441","0.0434","","","0.1129","0.1143","","","","","","1.081","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211302","4.3137","0.0002","9.9807","0.0004","25.5817","0.0008","90","","94.618","0.003","90","","1097.81","0.08","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 O2 -","- C26 H22 N4 O2 -","- C52 H44 N8 O4 -","2","0.5","","Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M","The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties.","Physical chemistry chemical physics : PCCP","2013","15","31","13013","13023","10.1039/c3cp51957k","","","0.71073","MoKα","","0.04","0.0366","","","0.0916","0.0942","","","","","","1.039","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211303","27.4458","0.0009","4.3843","0.0001","19.1157","0.0007","90","","110.267","0.003","90","","2157.8","0.12","273","2","273","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C25 H20 N4 O2 -","- C25 H20 N4 O2 -","- C100 H80 N16 O8 -","4","1","","Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M","The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties.","Physical chemistry chemical physics : PCCP","2013","15","31","13013","13023","10.1039/c3cp51957k","","","1.54178","","","0.0732","0.0542","","","0.1331","0.1472","","","","","","1.015","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211304","4.1838","0.0003","9.5677","0.0006","12.2486","0.0008","96.676","0.005","91.076","0.005","93.139","0.006","486.09","0.06","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N2 O -","- C12 H9 N2 O -","- C24 H18 N4 O2 -","2","1","","Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M","The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties.","Physical chemistry chemical physics : PCCP","2013","15","31","13013","13023","10.1039/c3cp51957k","","","0.71073","MoKα","","0.0678","0.0464","","","0.1126","0.1303","","","","","","1.057","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211305","9.9974","0.0006","13.0768","0.0009","18.1443","0.0012","98.349","0.003","94.887","0.003","111.453","0.003","2159.6","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H51 Ca N5 O19 S3 -","- C35 H51 Ca N5 O19 S3 -","- C70 H102 Ca2 N10 O38 S6 -","2","1","","Spies, Christian; Finkler, Björn; Acar, Nursel; Jung, Gregor","Solvatochromism of pyranine-derived photoacids.","Physical chemistry chemical physics : PCCP","2013","15","45","19893","19905","10.1039/c3cp53082e","","","0.71073","MoKα","","0.0896","0.0582","","","0.1437","0.1609","","","","","","1.088","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211306","6.2877","0.0002","7.7823","0.0004","12.5635","0.0005","88.036","0.004","89.839","0.003","76.687","0.004","597.89","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","bis(N-methylimidazole)silver nitrate","","- C8 H12 Ag N5 O3 -","- C8 H12 Ag N5 O3 -","- C16 H24 Ag2 N10 O6 -","2","1","","Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Depuydt, Daphne; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","Room-temperature silver-containing liquid metal salts with nitrate anions.","Physical chemistry chemical physics : PCCP","2013","15","43","18934","18943","10.1039/c3cp53263a","","","0.71073","MoKα","","0.0289","0.0247","","","0.0638","0.0662","","","","","","1.044","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211307","16.434","0.0013","7.8736","0.0007","13.8845","0.0013","90","","106.748","0.009","90","","1720.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(N-butylimidazole)silver nitrate","bis(N-butylimidazole)silver nitrate","","- C14 H24 Ag N5 O3 -","- C14 H24 Ag N5 O3 -","- C56 H96 Ag4 N20 O12 -","4","1","","Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Depuydt, Daphne; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","Room-temperature silver-containing liquid metal salts with nitrate anions.","Physical chemistry chemical physics : PCCP","2013","15","43","18934","18943","10.1039/c3cp53263a","","","0.71073","MoKα","","0.0255","0.0218","","","0.0489","0.0511","","","","","","1.049","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211308","4.5579","0.0004","8.222","0.0005","23.099","0.002","89.274","0.007","87.415","0.007","78.188","0.006","846.44","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","bis(N-dodecylimidazole)silver nitrate dihydrate","bis(N-dodecylimidazole)silver nitrate dihydrate","","- C30 H60 Ag N5 O5 -","- C30 H56 Ag N5 O5 -","- C30 H56 Ag N5 O5 -","1","0.5","","Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Depuydt, Daphne; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan","Room-temperature silver-containing liquid metal salts with nitrate anions.","Physical chemistry chemical physics : PCCP","2013","15","43","18934","18943","10.1039/c3cp53263a","","","0.71073","MoKα","","0.0715","0.0526","","","0.084","0.0937","","","","","","1.021","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211309","29.305","0.001","35.039","0.002","7.0828","0.0002","90","","90","","90","","7272.7","0.5","180","2","180","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H19 Cl2 N3 O -","- C20 H19 Cl2 N3 O -","- C320 H304 Cl32 N48 O16 -","16","1","","Yan, Dongpeng; Fan, Guoling; Guan, Yan; Meng, Qingyun; Li, Congju; Wang, Jiaona","Tuning solid-state blue and red luminescence by the formation of solvate crystals.","Physical chemistry chemical physics : PCCP","2013","15","45","19845","19852","10.1039/c3cp53929f","","","0.71073","MoKα","","0.1318","0.1159","","","0.3237","0.3462","","","","","","1.568","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211310","5.6826","0.0003","10.3721","0.0006","12.1384","0.0009","70.264","0.002","89.299","0.002","82.447","0.003","667.18","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 Cl6 N2 O2 -","- C26 H18 Cl6 N2 O2 -","- C26 H18 Cl6 N2 O2 -","1","0.5","","Yan, Dongpeng; Fan, Guoling; Guan, Yan; Meng, Qingyun; Li, Congju; Wang, Jiaona","Tuning solid-state blue and red luminescence by the formation of solvate crystals.","Physical chemistry chemical physics : PCCP","2013","15","45","19845","19852","10.1039/c3cp53929f","","","0.71073","MoKα","","0.0556","0.0433","","","0.1177","0.123","","","","","","1.059","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211311","8.1356","0.0009","10.6065","0.0013","12.462","0.0015","91.571","0.006","105.781","0.006","100.384","0.006","1014.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N4 O5 -","- C21 H21 N4 O5 -","- C42 H42 N8 O10 -","2","1","","Prasanna, Pitchaimani; Perumal, Subbu; Menéndez, J. Carlos","Chemodivergent, multicomponent domino reactions in aqueous media: l-proline-catalyzed assembly of densely functionalized 4H-pyrano[2,3-c]pyrazoles and bispyrazolyl propanoates from simple, acyclic starting materials","Green Chemistry","2013","15","5","1292","","10.1039/c3gc37128j","","","0.71073","MoKα","","0.051","0.0447","","","0.1293","0.1366","","","","","","1.014","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211312","12.2016","0.0005","13.6995","0.0005","15.4526","0.0005","90","","110.166","0.002","90","","2424.65","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N4 O4 -","- C24 H23 N4 O4 -","- C96 H92 N16 O16 -","4","1","","Prasanna, Pitchaimani; Perumal, Subbu; Menéndez, J. Carlos","Chemodivergent, multicomponent domino reactions in aqueous media: l-proline-catalyzed assembly of densely functionalized 4H-pyrano[2,3-c]pyrazoles and bispyrazolyl propanoates from simple, acyclic starting materials","Green Chemistry","2013","15","5","1292","","10.1039/c3gc37128j","","","0.71073","MoKα","","0.0799","0.0604","","","0.2001","0.2121","","","","","","1.103","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211313","9.7594","0.0004","18.5524","0.0006","18.8335","0.0005","90","","90","","90","","3410","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 Cl6 O8 -","- C30 H36 Cl6 O8 -","- C120 H144 Cl24 O32 -","4","1","","Haldar, Saikat; Kolet, Swati P.; Thulasiram, Hirekodathakallu V.","Biocatalysis: fungi mediated novel and selective 12β- or 17β-hydroxylation on the basic limonoid skeleton","Green Chemistry","2013","15","5","1311","","10.1039/c3gc40193f","","","0.71073","MoKα","","0.064","0.0553","","","0.1667","0.1767","","","","","","1.262","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211314","18.8143","0.0002","18.2714","0.0002","14.9031","0.0002","90","","117.805","0.0004","90","","4531.61","0.09","100","","100","","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H33 Cl Ni O3 P2 -","- C19 H33 Cl Ni O3 P2 -","- C152 H264 Cl8 Ni8 O24 P16 -","8","1","","Vabre, Boris; Lindeperg, Fabien; Zargarian, Davit","Direct, one-pot synthesis of POCOP-type pincer complexes from metallic nickel","Green Chemistry","2013","15","11","3188","","10.1039/c3gc40968f","","","1.54178","CuKα","","0.0265","0.0253","","","0.0951","0.0984","","","","","","0.918","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211315","15.908","0.0012","13.0746","0.001","11.134","0.0008","90","","91.464","0.003","90","","2315","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 Cl Ni O4 P2 -","- C20 H33 Cl Ni O4 P2 -","- C80 H132 Cl4 Ni4 O16 P8 -","4","1","","Vabre, Boris; Lindeperg, Fabien; Zargarian, Davit","Direct, one-pot synthesis of POCOP-type pincer complexes from metallic nickel","Green Chemistry","2013","15","11","3188","","10.1039/c3gc40968f","","","1.54178","CuKα","","0.0305","0.0304","","","0.0844","0.0845","","","","","","1.004","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211316","10.4275","0.0004","14.033","0.0005","20.573","0.0007","90","","101.18","0.001","90","","2953.3","0.18","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H47 Cl Ni O2 P2 -","- C26 H47 Cl Ni O2 P2 -","- C104 H188 Cl4 Ni4 O8 P8 -","4","1","","Vabre, Boris; Lindeperg, Fabien; Zargarian, Davit","Direct, one-pot synthesis of POCOP-type pincer complexes from metallic nickel","Green Chemistry","2013","15","11","3188","","10.1039/c3gc40968f","","","1.54178","CuKα","","0.0464","0.0448","","","0.1176","0.1192","","","","","","1.074","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211317","10.293","0.001","11.524","0.002","15.213","0.002","78.18","0.01","84.68","0.01","76.56","0.01","1715.9","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H38 O10 -","- C38 H38 O10 -","- C76 H76 O20 -","2","1","","Forsythe, W. Graham; Garrett, Mark D.; Hardacre, Christopher; Nieuwenhuyzen, Mark; Sheldrake, Gary N.","An efficient and flexible synthesis of model lignin oligomers","Green Chemistry","2013","15","11","3031","","10.1039/c3gc41110a","","","0.71073","MoKα","","0.118","0.0749","","","0.2063","0.2511","","","","","","1.045","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211318","16.032","0.004","11.544","0.003","32.695","0.007","90","","90.772","0.004","90","","6050","3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N9 O3 -","- C33 H27 N9 O3 -","- C264 H216 N72 O24 -","8","2","","Zhao, Chao-Wei; Ma, Jian-Ping; Liu, Qi-Kui; Yu, Yang; Wang, Peng; Li, Yan-An; Wang, Kui; Dong, Yu-Bin","A self-assembled Pd6L8 nanoball for Suzuki‒Miyaura coupling reactions in both homogeneous and heterogeneous formats","Green Chemistry","2013","15","11","3150","","10.1039/c3gc41154k","","","0.71073","MoKα","","0.1221","0.0663","","","0.1361","0.1631","","","","","","1.024","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211319","17.2201","0.0016","15.7615","0.0014","19.2134","0.0018","90","","90","","90","","5214.8","0.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H20 Cl6 Fe N O4 -","- C25 H20 Cl6 Fe N O4 -","- C200 H160 Cl48 Fe8 N8 O32 -","8","1","","Taherimehr, Masoumeh; Al-Amsyar, Syed M.; Whiteoak, Christopher J.; Kleij, Arjan W.; Pescarmona, Paolo P.","High activity and switchable selectivity in the synthesis of cyclic and polymeric cyclohexene carbonates with iron amino triphenolate catalysts","Green Chemistry","2013","15","11","3083","","10.1039/c3gc41303a","","","0.71073","MoKα","","0.0588","0.0381","","","0.0823","0.0925","","","","","","1.04","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211320","7.7968","0.0002","21.1512","0.0005","9.1046","0.0003","90","","114.189","0.003","90","","1369.63","0.07","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Mitchell, Lorna J.; Lewis, William; Moody, Christopher J.","Solar photochemistry: optimisation of the photo Friedel‒Crafts acylation of naphthoquinones","Green Chemistry","2013","15","10","2830","","10.1039/c3gc41477a","","x-ray","1.5418","CuKα","K-L~2,3~","0.0378","0.0329","","","0.09","0.0941","","","","","","1.044","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211321","12.8287","0.0003","7.9789","0.0003","24.2643","0.0009","90","","90","","90","","2483.67","0.14","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C120 H128 O32 -","8","1","","Mitchell, Lorna J.; Lewis, William; Moody, Christopher J.","Solar photochemistry: optimisation of the photo Friedel‒Crafts acylation of naphthoquinones","Green Chemistry","2013","15","10","2830","","10.1039/c3gc41477a","","x-ray","1.5418","CuKα","K-L~2,3~","0.0525","0.0438","","","0.1128","0.1191","","","","","","1.032","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211322","15.7243","0.0011","5.0123","0.0003","18.5815","0.0012","90","","107.285","0.007","90","","1398.36","0.17","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","","Mitchell, Lorna J.; Lewis, William; Moody, Christopher J.","Solar photochemistry: optimisation of the photo Friedel‒Crafts acylation of naphthoquinones","Green Chemistry","2013","15","10","2830","","10.1039/c3gc41477a","","x-ray","1.5418","CuKα","K-L~2,3~","0.0436","0.0362","","","0.0987","0.1048","","","","","","1.048","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211323","10.28","0.002","16.992","0.003","11.204","0.002","90","","97.87","0.03","90","","1938.7","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Mo N14 O6 Pr -","- C26 H42 Mo N14 O6 Pr -","- C52 H84 Mo2 N28 O12 Pr2 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0554","0.0514","","","0.1275","0.1303","","","","","","1.074","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211324","10.257","0.002","16.936","0.003","11.176","0.002","90","","98.09","0.03","90","","1922.1","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H42 Mo N14 Nd O6 -","- C26 H42 Mo N14 Nd O6 -","- C52 H84 Mo2 N28 Nd2 O12 -","2","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0541","0.0481","","","0.102","0.1051","","","","","","1.006","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211325","16.68","0.003","11.19","0.002","21.33","0.004","90","","91.58","0.03","90","","3979.7","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Mo N14 O6 Sm -","- C26 H42 Mo N14 O6 Sm -","- C104 H168 Mo4 N56 O24 Sm4 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.1047","0.0834","","","0.2163","0.241","","","","","","0.924","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211326","16.5","0.003","11.084","0.002","21.108","0.004","90","","90.85","0.03","90","","3859.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Eu Mo N14 O6 -","- C26 H42 Eu Mo N14 O6 -","- C104 H168 Eu4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0991","0.0764","","","0.1619","0.1743","","","","","","1.15","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211327","16.426","0.003","11.051","0.002","21.097","0.004","90","","91.17","0.03","90","","3828.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Gd Mo N14 O6 -","- C26 H42 Gd Mo N14 O6 -","- C104 H168 Gd4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0753","0.0581","","","0.1567","0.1713","","","","","","1.076","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211328","16.396","0.003","10.996","0.002","21.194","0.004","90","","90.86","0.03","90","","3820.6","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Ho Mo N14 O6 -","- C26 H42 Ho Mo N14 O6 -","- C104 H168 Ho4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0734","0.0595","","","0.1395","0.1522","","","","","","1.171","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211329","16.369","0.005","10.983","0.003","21.234","0.004","90","","91.124","0.014","90","","3816.7","1.7","566","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Er Mo N14 O6 -","- C26 H42 Er Mo N14 O6 -","- C104 H168 Er4 Mo4 N56 O24 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.1173","0.0933","","","0.2325","0.2534","","","","","","1.045","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211330","16.405","0.003","10.957","0.002","21.382","0.004","90","","91.21","0.03","90","","3842.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Mo N14 O6 Tm -","- C26 H42 Mo N14 O6 Tm -","- C104 H168 Mo4 N56 O24 Tm4 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.0917","0.0712","","","0.1652","0.1824","","","","","","1.19","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211331","16.344","0.003","10.96","0.002","21.261","0.004","90","","91","0.03","90","","3807.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 Mo N14 O6 Yb -","- C26 H42 Mo N14 O6 Yb -","- C104 H168 Mo4 N56 O24 Yb4 -","4","1","","Tong, Yu-Zhang; Wang, Qing-Lun; Su, Cheng-Yun; Ma, Yue; Ren, Shi; Xu, Gong-Feng; Yang, Guang-Ming; Cheng, Peng; Liao, Dai-Zheng","Nine cyanide-bridged bimetallic magnetic chains derived from octacyanomolybdate(v) and lanthanide(iii) building blocks","CrystEngComm","2013","15","46","9906","","10.1039/c3ce41048j","","","0.71073","MoKα","","0.1171","0.0752","","","0.1434","0.1627","","","","","","1.086","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211332","22.638","0.002","23.917","0.002","5.1656","0.0004","90","","90","","90","","2796.8","0.4","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C12 H14 Cu N4 O4 -","- C12 H14 Cu N4 O4 -","- C96 H112 Cu8 N32 O32 -","8","0.5","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0335","0.0327","","","0.0806","0.0816","","","","","","1.051","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211333","10.9931","0.0005","10.9931","0.0005","18.085","0.0009","90","","90","","90","","2185.54","0.18","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0325","0.0316","","","0.0836","0.0849","","","","","","1.01","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211334","10.9857","0.0008","10.9857","0.0008","9.1031","0.0009","90","","90","","90","","1098.61","0.16","438","2","438","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21.004 Cu2 N5.002 O5 -","- C32 H42.008 Cu4 N10.004 O10 -","2","0.25","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","0.71073","MoKα","","0.0273","0.0263","","","0.0677","0.0685","","","","","","1.025","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211335","10.9932","0.0001","10.9932","0.0001","18.0928","0.0003","90","","90","","90","","2186.52","0.05","300","2","300","2","","","","","","","","5","P 43","P 4cw","78","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0423","0.0421","","","0.1028","0.1031","","","","","","1.054","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211336","10.978","0.0003","10.978","0.0003","9.1059","0.0004","90","","90","","90","","1097.41","0.06","440","2","440","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21.228 Cu2 N5 O5 -","- C32 H42.456 Cu4 N10 O10 -","2","0.25","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0231","0.0229","","","0.0615","0.0617","","","","","","1.018","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211337","10.9902","0.0001","10.9902","0.0001","18.094","0.003","90","","90","","90","","2185.5","0.4","298","2","298","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21 Cu2 N5 O5 -","- C64 H84 Cu8 N20 O20 -","4","1","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0294","0.0292","","","0.0807","0.0807","","","","","","1.023","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211338","10.9855","0.0003","10.9855","0.0003","9.1106","0.0004","90","","90","","90","","1099.48","0.06","440","2","440","2","","","","","","","","5","P 42 n m","P 4n -2n","102","","","","- C16 H21 Cu2 N5 O5 -","- C16 H21.24 Cu2 N5 O5 -","- C32 H42.48 Cu4 N10 O10 -","2","0.25","","Qi, Xiao-Lin; Zhang, Chi; Wang, Bao-Ying; Xue, Wei; He, Chun-Ting; Liu, Si-Yang; Zhang, Wei-Xiong; Chen, Xiao-Ming","Two new polar coordination polymers with diamond networks: interpenetration and thermal phase transition","CrystEngComm","2013","15","45","9530","","10.1039/c3ce41111g","","","1.54178","CuKα","","0.0216","0.0214","","","0.0601","0.0602","","","","","","1.02","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211339","8.7","0.0002","11.4517","0.0003","23.0491","0.0008","90","","90","","90","","2296.38","0.11","200","2","200","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H86 N8 O43 Zn8 -","- C84 H86 N8 O43 Zn8 -","- C84 H86 N8 O43 Zn8 -","1","0.25","","Liu, Yen-Hsiang; Peng, Chia-Chien; Lee, Szu-Hsuan; Chien, Po-Hsiu; Wu, Pei-Chen","In situ resolved ligand chirality in preparing a chiral 3D zinc‒cyclopentane‒tetracarboxylate based coordination polymer","CrystEngComm","2013","15","47","10333","","10.1039/c3ce41143e","","x-ray","0.71073","MoKα","","0.1168","0.0596","","","0.1242","0.1482","","","","","","1.019","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211340","10.3022","0.0003","12.5187","0.0004","25.8195","0.0011","101.016","0.003","92.618","0.003","96.446","0.003","3240.2","0.2","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H93.2 Mo24 N24 O82.6 -","- C72 H92 Mo24 N24 O82.6 -","- C72 H92 Mo24 N24 O82.6 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0645","0.0378","","","0.0623","0.0708","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211341","9.651","0.0006","10.4093","0.0007","20.4141","0.0012","75.506","0.005","79.777","0.005","78.407","0.005","1927.5","0.2","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H48 Cu Mo16 N12 O56 -","- C36 H48 Cu Mo16 N12 O56 -","- C36 H48 Cu Mo16 N12 O56 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0448","0.0323","","","0.0669","0.073","","","","","","1.046","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211342","10.5513","0.0007","12.9013","0.0005","13.0406","0.0006","65.07","0.004","71.264","0.005","68.809","0.005","1470.67","0.15","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Cu Mo8 N12 O30 -","- C36 H46 Cu Mo8 N12 O30 -","- C36 H46 Cu Mo8 N12 O30 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0489","0.0325","","","0.0496","0.0541","","","","","","1.018","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211343","11.4044","0.0006","22.5801","0.0008","11.8951","0.0006","90","","115.844","0.006","90","","2756.8","0.3","291","2","291.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Cu2 Mo8 N12 O29 -","- C36 H36 Cu2 Mo8 N12 O29 -","- C72 H72 Cu4 Mo16 N24 O58 -","2","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0494","0.0355","","","0.0669","0.0715","","","","","","1.083","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211344","9.6394","0.0004","10.3809","0.0004","20.3352","0.0008","104.412","0.004","95.009","0.003","101.078","0.003","1914.45","0.14","291","2","291.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H50 Co Mo16 N12 O56 -","- C36 H46 Co Mo16 N12 O56 -","- C36 H46 Co Mo16 N12 O56 -","1","0.5","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0384","0.0291","","","0.0633","0.0676","","","","","","1.04","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211345","11.8441","0.0005","11.8441","0.0005","9.2064","0.0004","90","","90","","120","","1118.47","0.08","291","2","291.15","","","","","","","","","6","P -3","-P 3","147","","","","- C18 H24 Mo N6 O7 Zn -","- C18 H24 Mo N6 O7 Zn -","- C36 H48 Mo2 N12 O14 Zn2 -","2","0.333333","","Yue, Zhong-Cheng; Shen, Li-Xia; Wu, Huan-Huan; Li, Xing-Hui; Niu, Yun-Yin","pH-dependent assembly of metal‒organic hybrid compounds based on octamolybdates and a new flexible multidentate ligand","CrystEngComm","2013","15","46","9938","","10.1039/c3ce41223g","","","0.7107","MoKα","","0.0651","0.0489","","","0.1428","0.1576","","","","","","1.016","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211346","13.9824","0.0008","5.5774","0.0003","9.8671","0.0005","90","","90","","90","","769.49","0.07","296","2","296","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba O9 Te W2 -","- Ba O9 Te W2 -","- Ba4 O36 Te4 W8 -","4","0.5","","Zhang, Zhonghan; Tao, Xutang; Zhang, Junjie; Sun, Youxuan; Zhang, Chengqian; Li, Bo","Synthesis, crystal growth, and characterization of the orthorhombic BaTeW2O9: a new polymorph of BaTeW2O9","CrystEngComm","2013","15","47","10197","","10.1039/c3ce41272e","","","0.71073","MoKα","","0.0186","0.0175","","","0.0367","0.037","","","","","","1.268","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211347","5.832","0.001","13.649","0.002","13.79","0.002","90","","90","","90","","1097.7","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Ca(H2alend).H2O","","","- C4 H13 Ca N O8 P2 -","- C4 H11 Ca N O8 P2 -","- C16 H44 Ca4 N4 O32 P8 -","4","1","","Alvarez, Elsa; Marquez, Alfonso Garcia; Devic, Thomas; Steunou, Nathalie; Serre, Christian; Bonhomme, Christian; Gervais, Christel; Izquierdo-Barba, Isabel; Vallet-Regi, Maria; Laurencin, Danielle; Mauri, Francesco; Horcajada, Patricia","A biocompatible calcium bisphosphonate coordination polymer: towards a metal-linker synergistic therapeutic effect?","CrystEngComm","2013","15","46","9899","","10.1039/c3ce41346b","","","0.71073","MoKα","","0.1139","0.094","","","0.235","0.2476","","","","","","1.115","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211348","3.848","0.006","11.006","0.009","26.045","0.008","99.47","0.03","90","","90","","1088","1.9","150","2","150","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","","","","- C11 H0 O2 S4 -","- C11 O2 S4 -","- C44 O8 S16 -","4","1","","Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Teresa Duarte, M.; Techert, Simone; Veciana, Jaume; Rovira, Concepció","Solid state photodimerisation of tetrathiafulvalene derivatives bearing carboxylate and carboxylic acid substituents","CrystEngComm","2013","15","46","9878","","10.1039/c3ce41353e","","","0.71069","MoKα","","0.2531","0.1432","","","0.3231","0.3774","","","","","","1.069","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211349","43.192","0.004","6.091","0.003","23.009","0.006","90","","91.706","0.009","90","","6051","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound4","","","- C26 H20 O5 S8 -","- C26 H20 O5 S8 -","- C208 H160 O40 S64 -","8","1","","Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Teresa Duarte, M.; Techert, Simone; Veciana, Jaume; Rovira, Concepció","Solid state photodimerisation of tetrathiafulvalene derivatives bearing carboxylate and carboxylic acid substituents","CrystEngComm","2013","15","46","9878","","10.1039/c3ce41353e","","","0.71069","MoKα","","0.0809","0.0514","","","0.1225","0.1327","","","","","","1.061","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211350","17.7765","0.0014","10.2326","0.0008","20.9614","0.0017","90","","108.681","0.001","90","","3612","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cd N6 O5 -","- C15 H14 Cd N6 O5 -","- C120 H112 Cd8 N48 O40 -","8","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.048","0.0371","","","0.1254","0.1311","","","","","","1.055","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211351","8.817","0.003","35.043","0.011","14.69","0.004","90","","121.574","0.014","90","","3867","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Cd3 N12 O10 -","- C38 H25 Cd3 N12 O9.5 -","- C152 H100 Cd12 N48 O38 -","4","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.0408","0.0284","","","0.0607","0.0662","","","","","","0.982","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211352","12.2094","0.001","10.709","0.0009","18.4149","0.0015","90","","92.646","0.001","90","","2405.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cd2 N6 O10 -","- C20 H18 Cd2 N6 O10 -","- C80 H72 Cd8 N24 O40 -","4","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.0239","0.0209","","","0.0509","0.0532","","","","","","0.959","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211353","8.1335","0.0019","16.014","0.004","16.343","0.004","62.282","0.002","87.655","0.002","87.504","0.002","1882.1","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cd3 N12 O14 -","- C32 H28 Cd3 N12 O14 -","- C64 H56 Cd6 N24 O28 -","2","1","","Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya","Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands","CrystEngComm","2013","15","46","9980","","10.1039/c3ce41356j","","","0.71073","MoKα","","0.0239","0.0211","","","0.049","0.0506","","","","","","1.053","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211354","26.5522","0.0013","16.7313","0.0009","8.0639","0.0004","90","","107.038","0.003","90","","3425.2","0.3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 Cu2 F5 N3 O8 -","- C35 H26 Cu2 F5 N3 O8 -","- C140 H104 Cu8 F20 N12 O32 -","4","0.5","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0672","0.061","","","0.1639","0.1696","","","","","","1.114","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211355","26.366","0.003","16.393","0.002","8.1433","0.0009","90","","107.648","0.006","90","","3354","0.7","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H57 Cu4 F5 N6 O16 -","- C70 H57 Cu4 F5 N6 O16 -","- C140 H114 Cu8 F10 N12 O32 -","2","0.25","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0541","0.0502","","","0.1518","0.156","","","","","","1.125","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211356","10.6918","0.0011","17.4451","0.0017","10.9674","0.0011","90","","96.054","0.004","90","","2034.2","0.4","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H14 F5 N3 -","- C27 H14 F5 N3 -","- C108 H56 F20 N12 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0296","0.0293","","","0.0777","0.0782","","","","","","1.061","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211357","39.181","0.002","16.518","0.0009","25.5638","0.0014","90","","129.465","0.003","90","","12772.7","1.3","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C128 H108 F20 N12 O31 Zn5 -","- C128 H86 F20 N12 O31 Zn5 -","- C512 H344 F80 N48 O124 Zn20 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.; Crochet, Aurélien; Batten, Stuart R.","Do perfluoroarene⋯arene and C‒H⋯F interactions make a difference to the structures of 4,2′:6′,4′′-terpyridine-based coordination polymers?","CrystEngComm","2013","15","46","10068","","10.1039/c3ce41384e","","","1.54178","CuKα","","0.0962","0.0683","","","0.1802","0.2057","","","","","","1.023","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211358","5.512","0.002","25.524","0.01","7.743","0.003","90","","109.287","0.009","90","","1028.2","0.7","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N8 S2 -","- C20 H22 N8 S2 -","- C40 H44 N16 S4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.076","0.0536","","","0.1317","0.153","","","","","","1.099","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211359","13.584","0.003","7.9537","0.0015","12.942","0.002","90","","115.153","0.004","90","","1265.7","0.4","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C18 H18 Cl4 N8 S2 Zn2 -","- C18 H18 Cl4 N8 S2 Zn2 -","- C36 H36 Cl8 N16 S4 Zn4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0403","0.0307","","","0.0845","0.1079","","","","","","1.096","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211360","19.4605","0.0018","11.6501","0.001","14.0409","0.0013","90","","121.981","0.002","90","","2700.2","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl4 N8 S2 Zn2 -","- C20 H22 Cl4 N8 S2 Zn2 -","- C80 H88 Cl16 N32 S8 Zn8 -","4","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0597","0.0463","","","0.1073","0.1134","","","","","","1.028","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211361","11.1507","0.0015","16.62","0.002","14.0288","0.0019","90","","107.922","0.003","90","","2473.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Cl4 N16 S4 Zn2 -","- C42 H48 Cl4 N16 S4 Zn2 -","- C84 H96 Cl8 N32 S8 Zn4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0418","0.0341","","","0.0831","0.0865","","","","","","1.035","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211362","9.1365","0.001","13.0198","0.0015","13.8696","0.0016","90","","92.449","0.002","90","","1648.4","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl2 N5 S Zn -","- C14 H13 Cl2 N5 S Zn -","- C56 H52 Cl8 N20 S4 Zn4 -","4","1","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0444","0.037","","","0.089","0.0931","","","","","","1.055","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211363","8.9397","0.0005","17.7137","0.0009","10.9396","0.0006","90","","100.914","0.001","90","","1701.01","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cl4 N10 S2 Zn2 -","- C28 H26 Cl4 N10 S2 Zn2 -","- C56 H52 Cl8 N20 S4 Zn4 -","2","0.5","","Jiang, Lu; Wang, Zhe; Bai, Shi-Qiang; Hor, T. S. Andy","Tuning the Zn(ii) coordination assembly by adjusting the spacers of 2-pyridylthiomethyl functionalized 1,2,3-triazoles","CrystEngComm","2013","15","48","10451","","10.1039/c3ce41385c","","","0.71073","MoKα","","0.0288","0.0264","","","0.0654","0.0664","","","","","","1.043","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211364","12.787","0.003","13.339","0.003","16.139","0.004","65.969","0.004","83.547","0.004","85.33","0.004","2496.3","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H40 F15 I3 N8 O2 -","- C46 H40 F15 I3 N8 O2 -","- C92 H80 F30 I6 N16 O4 -","2","1","","Geer, Michael F.; Mazzuca, James; Smith, Mark D.; Shimizu, Linda S.","Short, strong halogen bonding in co-crystals of pyridyl bis-urea macrocycles and iodoperfluorocarbons","CrystEngComm","2013","15","46","9923","","10.1039/c3ce41413b","","","0.71073","MoKα","","0.0357","0.0293","","","0.0682","0.0713","","","","","","1.046","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211365","9.372","0.002","9.757","0.002","10.799","0.003","77.105","0.004","84.963","0.004","63.533","0.004","861.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H40 F4 I2 N8 O2 -","- C30 H40 F4 I2 N8 O2 -","- C30 H40 F4 I2 N8 O2 -","1","0.5","","Geer, Michael F.; Mazzuca, James; Smith, Mark D.; Shimizu, Linda S.","Short, strong halogen bonding in co-crystals of pyridyl bis-urea macrocycles and iodoperfluorocarbons","CrystEngComm","2013","15","46","9923","","10.1039/c3ce41413b","","","0.71073","MoKα","","0.0375","0.0335","","","0.0793","0.0814","","","","","","1.044","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211366","8.3319","0.0015","11.289","0.002","13.162","0.002","84.68","0.004","80.485","0.004","74.665","0.004","1175.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H38 F8 I6 N8 O2 -","- C32 H38 F7.998 I6 N8 O2 -","- C32 H38 F7.998 I6 N8 O2 -","1","0.5","","Geer, Michael F.; Mazzuca, James; Smith, Mark D.; Shimizu, Linda S.","Short, strong halogen bonding in co-crystals of pyridyl bis-urea macrocycles and iodoperfluorocarbons","CrystEngComm","2013","15","46","9923","","10.1039/c3ce41413b","","","0.71073","MoKα","","0.0701","0.0497","","","0.1106","0.1191","","","","","","1.091","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211367","9.9643","0.0005","11.976","0.0006","12.4981","0.0007","67.931","0.005","76.363","0.005","80.105","0.004","1337.44","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H30 Cd5 N26 O14 -","- C46 H30 Cd5 N26 O14 -","- C46 H30 Cd5 N26 O14 -","1","0.5","","Yang, E.; Ding, Qing-Rong; Kang, Yao; Wang, Fei","Two photoluminescent metal‒organic frameworks with highly-connected topological nets","CrystEngComm","2013","15","48","10563","","10.1039/c3ce41415a","","","0.71073","MoKα","","0.0423","0.0366","","","0.0962","0.1015","","","","","","1.016","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211368","12.0876","0.0005","13.9694","0.0005","17.0235","0.0006","91.703","0.003","110.084","0.003","100.902","0.003","2637","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H22 Cd5 N24 O14 -","- C42 H22 Cd5 N24 O14 -","- C84 H44 Cd10 N48 O28 -","2","1","","Yang, E.; Ding, Qing-Rong; Kang, Yao; Wang, Fei","Two photoluminescent metal‒organic frameworks with highly-connected topological nets","CrystEngComm","2013","15","48","10563","","10.1039/c3ce41415a","","","0.71073","MoKα","","0.0429","0.0343","","","0.089","0.093","","","","","","1.194","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211369","19.563","0.006","18.755","0.005","20.674","0.006","90","","113.675","0.016","90","","6947","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H54 Mo12 N12 O39 -","- C42 H54 Mo12 N12 O39 -","- C168 H216 Mo48 N48 O156 -","4","1","","Yue, Zhong-Cheng; Du, Hai-Juan; Niu, Yun-Yin; Jin, Guo-Xin","An unprecedented ι-type octamolybdate: [TbI1]2[(β-Mo8O26)0.5(ι-Mo8O26)] directed by a new tricationic template","CrystEngComm","2013","15","46","9844","","10.1039/c3ce41418c","","","0.71073","MoKα","","0.0611","0.0354","","","0.0642","0.0738","","","","","","1.01","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211370","10.923","0.004","10.889","0.004","12.814","0.004","90","","102.503","0.017","90","","1488","0.9","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H39 N3 O6 -","- C29 H39 N3 O6 -","- C58 H78 N6 O12 -","2","1","","Konar, Anita Dutt","The unique crystallographic signature of a β-turn mimic nucleated by N-methylated phenylalanine and Aib as corner residue: conformational and self-assembly studies","CrystEngComm","2013","15","48","10569","","10.1039/c3ce41448e","","","0.71073","MoKα","","0.0497","0.0448","","","0.1235","0.128","","","","","","1.067","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211371","12.575","0.004","10.973","0.003","13.526","0.005","90","","105.577","0.009","90","","1797.8","1","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N3 O6 -","- C27 H35 N3 O6 -","- C54 H70 N6 O12 -","2","1","","Konar, Anita Dutt","The unique crystallographic signature of a β-turn mimic nucleated by N-methylated phenylalanine and Aib as corner residue: conformational and self-assembly studies","CrystEngComm","2013","15","48","10569","","10.1039/c3ce41448e","","","0.71073","MoKα","","0.1863","0.0993","","","0.2502","0.2947","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211372","26.273","","10.799","","25.051","","90","","95.02","","90","","7080.26","","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C30 H32 Cd3 O21 -","- C30 H32 Cd3 O21 -","- C240 H256 Cd24 O168 -","8","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0294","0.0259","","","0.0648","0.0668","","","","","","1.06","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211373","10.3202","0.0005","13.9105","0.0007","16.3411","0.0007","90","","95.892","0.004","90","","2333.52","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 Cd N2 O8 -","- C27 H20 Cd N2 O8 -","- C108 H80 Cd4 N8 O32 -","4","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0488","0.0408","","","0.1363","0.1455","","","","","","1.063","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211374","8.5092","0.0002","40.4753","0.0013","15.5716","0.0004","90","","118.257","0.002","90","","4724","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H34 Cd3 N4 O14 -","- C54 H34 Cd3 N4 O14 -","- C216 H136 Cd12 N16 O56 -","4","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0617","0.0433","","","0.0804","0.0892","","","","","","1.055","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211375","9.8127","0.0005","13.7846","0.0012","16.4007","0.0013","73.692","0.007","80.411","0.006","77.779","0.006","2067.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H34 Mn N4 O12 -","- C50 H34 Mn N4 O12 -","- C100 H68 Mn2 N8 O24 -","2","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.1084","0.0617","","","0.1112","0.1456","","","","","","1.05","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211376","7.3341","0.0004","10.9138","0.0006","11.253","0.0009","90.484","0.005","104.231","0.006","105.006","0.005","840.8","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 Co2 O11 -","- C15 H16 Co2 O11 -","- C30 H32 Co4 O22 -","2","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.0918","0.0767","","","0.1882","0.1999","","","","","","1.062","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211377","9.4312","0.0014","9.7651","0.0011","12.7597","0.0017","108.799","0.011","103.281","0.012","93.934","0.011","1069.6","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 Mn3 N4 O12 -","- C50 H30 Mn3 N4 O12 -","- C50 H30 Mn3 N4 O12 -","1","0.5","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.7107","MoKα","","0.1053","0.0879","","","0.2063","0.2164","","","","","","1.112","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211378","9.5262","0.0019","21.006","0.004","12.489","0.002","90","","111.832","0.009","90","","2319.9","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H16 N2 O6 Pb -","- C27 H16 N2 O6 Pb -","- C108 H64 N8 O24 Pb4 -","4","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.038","0.0251","","","0.0509","0.0546","","","","","","0.998","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211379","13.144","0.0005","16.1395","0.0008","17.3653","0.0009","112.258","0.005","104.013","0.004","96.65","0.004","3218.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H48 N5 Ni3 O19 -","- C55 H48 N5 Ni3 O19 -","- C110 H96 N10 Ni6 O38 -","2","1","","Gu, Jin-Zhong; Kirillov, Alexander M.; Wu, Jiang; Lv, Dong-Yu; Tang, Yu; Wu, Jin-Cai","Synthesis, structural versatility, luminescent and magnetic properties of a series of coordination polymers constructed from biphenyl-2,4,4′-tricarboxylate and different N-donor ligands","CrystEngComm","2013","15","47","10287","","10.1039/c3ce41457d","","","0.71073","MoKα","","0.1097","0.0688","","","0.1639","0.1911","","","","","","1.026","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211380","6.955","0.002","18.182","0.003","22.181","0.003","90","","95.31","0.03","90","","2792.9","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate methanol 5.24-solvate","","- C41.23 H48.96 Cl6 Cu2 N16 O13.22 -","- C41.23 H28 Cl6 Cu2 N16 O13.23 -","- C82.46 H56 Cl12 Cu4 N32 O26.46 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.1709","0.0541","","","0.1287","0.1521","","","","","","0.868","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211381","6.971","0.002","17.912","0.003","22.289","0.003","90","","95.64","0.03","90","","2769.6","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate tetrachloromethane disolvate","","- C38 H28 Cl14 Cu2 N16 O8 -","- C38 H28 Cl14 Cu2 N16 O8 -","- C76 H56 Cl28 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.293","0.105","","","0.1311","0.1983","","","","","","0.95","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211382","6.999","0.002","17.994","0.003","22.019","0.003","90","","95.67","0.03","90","","2759.5","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate toluene disolvate","","- C50 H44 Cl6 Cu2 N16 O8 -","- C50 H44 Cl6 Cu2 N16 O8 -","- C100 H88 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.2272","0.0595","","","0.0753","0.1046","","","","","","0.777","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211383","14.183","0.003","18.048","0.003","22.365","0.004","90","","95.08","0.03","90","","5702.4","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate o-xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C208 H192 Cl24 Cu8 N64 O32 -","4","1","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.1009","0.0412","","","0.0724","0.0831","","","","","","0.813","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211384","6.987","0.002","18.534","0.003","22.097","0.004","90","","94.78","0.03","90","","2851.5","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate m-xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C104 H96 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.095","0.0422","","","0.0736","0.0814","","","","","","0.844","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211385","6.946","0.002","18.278","0.003","22.45","0.004","90","","91.75","0.03","90","","2848.9","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate p-xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C104 H96 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.1048","0.0393","","","0.0652","0.0768","","","","","","0.847","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211386","7.023","0.002","18.472","0.003","22.101","0.004","90","","95.36","0.03","90","","2854.6","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate naphthalene clathrate","","- C56 H44 Cl6 Cu2 N16 O8 -","- C56 H44 Cl6 Cu2 N16 O8 -","- C112 H88 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.2903","0.1199","","","0.1754","0.2289","","","","","","0.93","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211387","6.993","0.002","18.663","0.003","22.01","0.004","90","","95.07","0.03","90","","2861.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate xylene disolvate","","- C52 H48 Cl6 Cu2 N16 O8 -","- C52 H48 Cl6 Cu2 N16 O8 -","- C104 H96 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","0.71073","MoKα","","0.2566","0.1132","","","0.1762","0.2269","","","","","","1.017","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211388","7.093","0.002","18.185","0.003","18.27","0.003","90","","90.4","0.03","90","","2356.5","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","bis(μ~2~-4-(E)-(4-chlorobenzylidene)amino-4H-1,2,4-triazole)-bis((E)-4-(chlor obenzylidene)amino-4H-1,2,4-triazole)-di-copper(i) diperchlorate","","- C36 H28 Cl6 Cu2 N16 O8 -","- C36 H28 Cl6 Cu2 N16 O8 -","- C72 H56 Cl12 Cu4 N32 O16 -","2","0.5","","Białońska, Agata; Drabent, Krzysztof; Filipowicz, Barbara; Siczek, Miłosz","Reversible guest vapour sorption in breathing crystals of a discrete ionic binuclear Cu(i) complex","CrystEngComm","2013","15","46","9859","","10.1039/c3ce41461b","","","1.54175","CuKα","","0.2944","0.0646","","","0.1244","0.1669","","","","","","0.531","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211389","8.1994","0.0016","16.883","0.003","12.655","0.004","90","","129.974","0.019","90","","1342.5","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Co N14 O2 -","- C8 H8 Co N14 O2 -","- C32 H32 Co4 N56 O8 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.1349","0.1184","","","0.2687","0.2759","","","","","","0.974","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211390","8.2502","0.0007","16.8656","0.001","12.7981","0.001","90","","129.908","0.005","90","","1366","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N14 O3 Zn -","- C8 H8 N14 O3 Zn -","- C32 H32 N56 O12 Zn4 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.1195","0.1135","","","0.2805","0.2821","","","","","","1.181","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211391","9.6277","0.0006","6.4382","0.0004","9.7615","0.0006","90","","95.393","0.005","90","","602.39","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H3 Cu0.5 N7 -","- C4 H3 Cu0.5 N7 -","- C16 H12 Cu2 N28 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.0433","0.0339","","","0.0861","0.0885","","","","","","1.098","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7211392","8.3955","0.0017","16.678","0.003","13.398","0.004","90","","128.62","0.02","90","","1465.7","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd N14 O2.5 -","- C8 H8 Cd N14 O2.5 -","- C32 H32 Cd4 N56 O10 -","4","1","","Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng","A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties","CrystEngComm","2013","15","46","10094","","10.1039/c3ce41462k","","","0.71073","MoKα","","0.0785","0.0609","","","0.1319","0.1378","","","","","","1.19","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211393","18.1047","0.0018","26.696","0.003","18.618","0.003","90","","115.839","0.002","90","","8098.9","1.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H84 Cu3 N12 O24 -","- C78 H72 Cu3 N12 O24 -","- C312 H288 Cu12 N48 O96 -","4","0.5","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0695","0.0449","","","0.1144","0.1225","","","","","","1.058","","","","has coordinates,has disorder","180444","2020-10-21","18:00:00",""
"7211394","10.1362","0.0013","16.167","0.002","16.57","0.002","110.64","0.002","92.365","0.002","102.114","0.002","2464.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H102 Cu3 N16 O28 -","- C90 H86 Cu3 N16 O28 -","- C90 H86 Cu3 N16 O28 -","1","0.5","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.092","0.0541","","","0.122","0.1351","","","","","","1.005","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211395","9.9622","0.001","18.3107","0.0018","15.7167","0.0015","90","","106.788","0.002","90","","2744.8","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu N4 O7 -","- C26 H26 Cu N4 O7 -","- C104 H104 Cu4 N16 O28 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0464","0.0388","","","0.1118","0.1156","","","","","","1.076","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211396","9.8769","0.0011","12.6544","0.0014","16.4665","0.0018","109.065","0.002","91.359","0.002","106.942","0.002","1844.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cu2 N4 O11 -","- C34 H30 Cu2 N4 O11 -","- C68 H60 Cu4 N8 O22 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0446","0.0347","","","0.1043","0.1082","","","","","","1.119","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211397","9.8628","0.0006","18.1938","0.0011","15.8811","0.0009","90","","106.858","0.001","90","","2727.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Co N4 O7 -","- C26 H26 Co N4 O7 -","- C104 H104 Co4 N16 O28 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0369","0.0298","","","0.0783","0.081","","","","","","1.038","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211398","9.9566","0.0005","18.2591","0.0009","15.6736","0.0008","90","","107.467","0.001","90","","2718.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N4 Ni O7 -","- C26 H26 N4 Ni O7 -","- C104 H104 N16 Ni4 O28 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0306","0.0262","","","0.0702","0.072","","","","","","1.042","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211399","9.7361","0.0006","18.0736","0.0012","16.1041","0.001","90","","105.956","0.001","90","","2724.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N4 O7 Zn -","- C26 H26 N4 O7 Zn -","- C104 H104 N16 O28 Zn4 -","4","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0382","0.0295","","","0.0721","0.0748","","","","","","1.039","","","","has coordinates","180444","2020-10-21","18:00:00",""
"7211400","10.1518","0.0006","11.2296","0.0007","12.6969","0.0007","86.471","0.001","79.731","0.001","66.137","0.001","1302.43","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Cd N4 O7 -","- C26 H26 Cd N4 O7 -","- C52 H52 Cd2 N8 O14 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0261","0.0234","","","0.0561","0.0572","","","","","","1.045","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211401","10.1198","0.0012","10.1243","0.0012","13.32","0.0016","99.284","0.002","99.883","0.002","109.078","0.002","1235.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cd N4 O6 -","- C26 H24 Cd N4 O6 -","- C52 H48 Cd2 N8 O12 -","2","1","","Wang, Xiuli; Luan, Jian; Lin, Hongyan; Xu, Chuang; Liu, Guocheng; Zhang, Juwen; Tian, Aixiang","The design and construction of a series of metal‒organic coordination polymers based on two isomeric semi-rigid bis-pyridyl-bis-amide ligands and three aromatic polycarboxylates","CrystEngComm","2013","15","46","9995","","10.1039/c3ce41498a","","","0.71073","MoKα","","0.0313","0.0264","","","0.0634","0.0655","","","","","","1.042","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211402","10.5554","0.0008","22.6863","0.0018","12.4204","0.001","90","","100.712","0.001","90","","2922.4","0.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag6 K2 N20 O40 P W12 -","- C24 H16 Ag6 K2 N20 O40 P W12 -","- C48 H32 Ag12 K4 N40 O80 P2 W24 -","2","0.5","","Sun, Jingwen; Li, Mengting; Sha, Jingquan; Yan, Pengfei; Wang, Cheng; Li, Shuxian; Pan, Yang","Assembly of the first polyoxometalate-based hybrid with [ring+helix] channels and photocatalytic activity","CrystEngComm","2013","15","48","10584","","10.1039/c3ce41518j","","","0.71073","MoKα","","0.0817","0.0582","","","0.1408","0.1532","","","","","","1.042","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211403","10.8996","0.0004","19.1551","0.0006","29.1067","0.001","90","","90","","90","","6077","0.4","173","2","173","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","4-phenyl-1,2,3,5-dithiadiazolyl- 4-(4'-perfluoropyridyl)-1,2,3,5-dithiadiazolyl co-crystal","","","- C13 H5 F4 N5 S4 -","- C13 H5 F4 N5 S4 -","- C208 H80 F64 N80 S64 -","16","2","","Robinson, Sean W.; Haynes, Delia A.; Rawson, Jeremy M.","Co-crystal formation with 1,2,3,5-dithiadiazolyl radicals","CrystEngComm","2013","15","47","10205","","10.1039/c3ce41519h","","","1.54178","CuKα","","0.0243","0.0237","","","0.0658","0.0662","","","","","","1.096","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211404","9.225","0.004","30.478","0.013","8.366","0.003","90","","90","","90","","2352.2","1.7","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C15 H10 Cu2 N2 O8 S2 -","- C15 H10 Cu2 N2 O8 S2 -","- C60 H40 Cu8 N8 O32 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.1473","0.0922","","","0.2165","0.2392","","","","","","0.983","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211405","9.7573","0.001","16.7259","0.0017","10.2055","0.001","90","","95.508","0.002","90","","1657.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 Cu N2 O7 S2 -","- C14 H11 Cu N2 O7 S2 -","- C56 H44 Cu4 N8 O28 S8 -","4","1","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.127","0.0455","","","0.0568","0.0685","","","","","","0.754","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211406","14.86","0.003","30.778","0.005","11.919","0.002","90","","95.102","0.003","90","","5429.7","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cu N4 O7 S4 -","- C22 H16 Cu N4 O7 S4 -","- C176 H128 Cu8 N32 O56 S32 -","8","1","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.0983","0.061","","","0.1538","0.1782","","","","","","0.846","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211407","10.01","0.004","24.79","0.009","9.343","0.003","90","","113.657","0.007","90","","2123.6","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Cu N2 O10 S2 -","- C12 H8 Cu N2 O10 S2 -","- C48 H32 Cu4 N8 O40 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; Fabelo, Oscar; Fernández-Hermida, Nuria; Lloret, Francesc; Vázquez-López, Ezequiel M.","Metallosupramolecular compounds based on Cu(ii)/oxalate/twisted NSSN ligands showing a new in situ S‒C bond cleavage","CrystEngComm","2013","15","48","10550","","10.1039/c3ce41525b","","","0.71073","MoKα","","0.2339","0.0768","","","0.193","0.2848","","","","","","0.985","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211408","19.662","0.007","13.469","0.004","19.049","0.007","90","","119.676","0.004","90","","4383","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H17 Cl2 Co N4 O4.5 -","- C19 H18 Cl2 Co N4 O4.5 -","- C152 H144 Cl16 Co8 N32 O36 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0789","0.0672","","","0.176","0.1874","","","","","","1.007","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211409","9.911","0.003","10.115","0.003","12.281","0.004","83.369","0.014","67.12","0.012","69.755","0.012","1064","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cd Cl2 N4 O4 -","- C19 H18 Cd Cl2 N4 O4 -","- C38 H36 Cd2 Cl4 N8 O8 -","2","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0826","0.0576","","","0.1604","0.2407","","","","","","1.004","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211410","20.3721","0.0008","9.4647","0.0002","17.2551","0.0007","90","","97.434","0.003","90","","3299.1","0.2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H38 Cd N8 O6 -","- C30 H38 Cd N8 O6 -","- C120 H152 Cd4 N32 O24 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.056","0.0387","","","0.109","0.1457","","","","","","1.009","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211411","12.412","0.005","16.372","0.007","31.497","0.013","90","","90","","90","","6400","5","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C16 H17 Cu N4 O4 -","- C16 H17 Cu N4 O4 -","- C256 H272 Cu16 N64 O64 -","16","0.5","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0454","0.0364","","","0.1247","0.1379","","","","","","1.007","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211412","21.489","0.003","7.1038","0.0008","23.022","0.004","90","","92.15","0.013","90","","3511.9","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Co N4 O5 -","- C16 H19 Co N4 O5 -","- C128 H152 Co8 N32 O40 -","8","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.0571","0.0457","","","0.1248","0.1434","","","","","","1.014","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211413","12.3734","0.0002","11.2005","0.0002","15.8979","0.0003","90","","109.179","0.002","90","","2080.97","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 Mn N5 O7 -","- C19 H21 Mn N5 O7 -","- C76 H84 Mn4 N20 O28 -","4","1","","Guo, Xiang-Guang; Yang, Wen-Bin; Wu, Xiao-Yuan; Zhang, Qi-Kai; Lu, Can-Zhong","Construction of coordination polymers based on methylenebis(3,5-dimethylpyrazole) and varied aromatic carboxylic acids","CrystEngComm","2013","15","46","10107","","10.1039/c3ce41575a","","","0.71073","MoKα","","0.05","0.0462","","","0.1315","0.1342","","","","","","1.031","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211414","6.9774","0.0002","10.7434","0.0005","11.8115","0.0004","103.704","0.003","102.664","0.003","103.066","0.003","802.36","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br2 F4 N2 -","- C16 H10 Br2 F4 N2 -","- C32 H20 Br4 F8 N4 -","2","1","","Arcus, Vickery L.; Bernstein, Daniel R.; Crombie, Cameron W.; Saunders, Graham C.","Infinite stacking of alternating polyfluoroaryl rings and bromide anions","CrystEngComm","2013","15","46","9841","","10.1039/c3ce41582a","","","1.54184","CuKα","","0.0457","0.045","","","0.1469","0.1473","","","","","","1.147","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211415","22.718","0.0013","11.7263","0.0004","22.8679","0.0012","90","","118.173","0.007","90","","5370.2","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 Li N10 O7 Tb -","- C60 H50.409 Li N10 O7 Tb -","- C240 H201.636 Li4 N40 O28 Tb4 -","4","1","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.0745","0.0487","","","0.128","0.1393","","","","","","1.045","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211416","8.3","0.0007","28.445","0.0003","18.869","0.0006","90","","90","","90","","4454.8","0.4","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 N10 Na O5 Tb -","- C55 H38 N10 Na O5 Tb -","- C220 H152 N40 Na4 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71069","MoKα","","0.0372","0.0273","","","0.0615","0.0651","","","","","","1.092","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211417","8.4313","0.0003","28.1513","0.001","18.9773","0.0006","90","","90","","90","","4504.3","0.3","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 K N10 O5 Tb -","- C55 H38 K N10 O5 Tb -","- C220 H152 K4 N40 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.073","0.0451","","","0.0736","0.0798","","","","","","1.047","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211418","8.4628","0.0005","28.0868","0.0009","19.0589","0.0007","90","","90","","90","","4530.2","0.3","150","1","150","1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H38 N10 O5 Rb Tb -","- C55 H38 N10 O5 Rb Tb -","- C220 H152 N40 O20 Rb4 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71069","MoKα","","0.1025","0.0543","","","0.0788","0.0906","","","","","","0.944","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211419","8.0865","0.0002","28.952","0.0012","19.304","0.0005","90","","90","","90","","4519.5","0.2","149.95","0.1","149.95","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C55 H34 Cs N10 O5 Tb -","- C55 H34 Cs N10 O5 Tb -","- C220 H136 Cs4 N40 O20 Tb4 -","4","0.5","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.0588","0.0417","","","0.1086","0.1154","","","","","","1.045","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211420","13.1038","0.0003","32.3516","0.0006","15.5736","0.0004","90","","105.086","0.002","90","","6374.6","0.3","149.95","0.1","149.95","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H60 N13 O10 Tb Zn -","- C70 H60 N13 O10 Tb Zn -","- C280 H240 N52 O40 Tb4 Zn4 -","4","1","","Ma, Qi; Feng, Xuenan; Cao, Wei; Wang, Hailong; Jiang, Jianzhuang","Mixed (phthalocyanine)(Schiff-base) terbium(iii)‒alkali metal(i)/zinc(ii) complexes: synthesis, structures, and spectroscopic properties","CrystEngComm","2013","15","47","10383","","10.1039/c3ce41619d","","","0.71073","MoKα","","0.1119","0.0666","","","0.145","0.1619","","","","","","0.977","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211421","9.7536","0.0012","11.3569","0.0017","15.934","0.003","90","","107.79","0.011","90","","1680.6","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N3 O7 Zn -","- C15 H16 N3 O7 Zn -","- C60 H64 N12 O28 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0446","0.0338","","","0.0747","0.08","","","","","","1.058","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211422","16.031","0.003","7.3539","0.0008","13.9631","0.0007","90","","109.457","0.007","90","","1552.1","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N3 O5 Zn -","- C15 H12 N3 O5 Zn -","- C60 H48 N12 O20 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0344","0.0273","","","0.0685","0.0727","","","","","","1.063","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211423","12.0604","0.0013","9.1735","0.001","17.818","0.003","90","","100.645","0.012","90","","1937.4","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 N3 O10 Zn -","- C15 H22 N3 O10 Zn -","- C60 H88 N12 O40 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0436","0.0338","","","0.0833","0.0885","","","","","","1.039","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211424","10.524","0.0004","11.2622","0.0005","12.3561","0.0005","72.554","0.002","74.971","0.002","83.246","0.002","1348.07","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 Cd N5 O11 -","- C23 H25 Cd N5 O11 -","- C46 H50 Cd2 N10 O22 -","2","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0277","0.0238","","","0.0624","0.0652","","","","","","1.029","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211425","11.6305","0.0017","15.905","0.003","13.6118","0.0015","90","","95.368","0.014","90","","2506.9","0.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N4 O8 Zn -","- C25 H22 N4 O8 Zn -","- C100 H88 N16 O32 Zn4 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0451","0.0312","","","0.0684","0.0739","","","","","","1.049","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211426","11.3111","0.0002","13.8834","0.0003","16.8506","0.0003","90","","99.992","0.001","90","","2606.02","0.09","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H26 Cd N4 O10 -","- C25 H26 Cd N4 O10 -","- C100 H104 Cd4 N16 O40 -","4","2","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.1255","0.0579","","","0.0658","0.0806","","","","","","0.993","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211427","11.5273","0.0001","9.0488","0.0001","18.0697","0.0002","90","","97.707","0.001","90","","1867.79","0.03","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H17 Cd N2 O9 -","- C17 H16 Cd N2 O9 -","- C68 H64 Cd4 N8 O36 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0326","0.0253","","","0.0602","0.0634","","","","","","1.048","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211428","6.0834","0.0009","20.891","0.002","16.21","0.002","90","","94.148","0.012","90","","2054.7","0.4","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N2 O11 Zn1.5 -","- C17 H14 N2 O11 Zn1.5 -","- C68 H56 N8 O44 Zn6 -","4","1","","Cheng, Pei-Chi; Wu, Ming-Hao; Xie, Ming-Yuan; Huang, Wun-Jhih; He, Hsiu-Yi; Wu, Tsung-Tai; Lo, Yang-Chih; Proserpio, Davide M.; Chen, Jhy-Der","Construction of N,N′-di(3-pyridyl)adipoamide-based Zn(ii) and Cd(ii) coordination networks by tuning the isomeric effect of polycarboxylate ligands","CrystEngComm","2013","15","47","10346","","10.1039/c3ce41622d","","","0.71073","MoKα","","0.0718","0.0421","","","0.095","0.1077","","","","","","1.041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7211429","9.5341","0.0007","9.9276","0.0007","11.9991","0.0009","88.762","0.003","77.544","0.003","85.953","0.003","1106.2","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H48 Cu2 N6 O18 U -","- C40 H48 Cu2 N6 O18 U -","- C40 H48 Cu2 N6 O18 U -","1","0.5","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0297","0.0294","","","0.0808","0.0813","","","","","","1.1","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211430","9.1507","0.0008","15.0173","0.0012","10.8775","0.0009","90","","102.155","0.003","90","","1461.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C23 H27 Cu N5 O12 U -","- C23 H27 Cu N5 O12 U -","- C46 H54 Cu2 N10 O24 U2 -","2","0.5","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0601","0.0424","","","0.1034","0.1162","","","","","","1.041","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211431","14.195","0.0015","14.5483","0.0015","15.8562","0.0016","64.927","0.004","74.116","0.004","63.15","0.004","2632.4","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H51 Cu2 N9 O19 U -","- C48 H51 Cu2 N9 O19 U -","- C96 H102 Cu4 N18 O38 U2 -","2","1","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0583","0.0398","","","0.1099","0.1261","","","","","","1.005","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211432","14.6991","0.0017","16.299","0.002","23.209","0.003","90","","96.525","0.005","90","","5524.4","1.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 Cu N5 O18 U2 -","- C18 H19 Cu N5 O18 U2 -","- C144 H152 Cu8 N40 O144 U16 -","8","1","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0949","0.0434","","","0.0867","0.1076","","","","","","1.011","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211433","12.493","0.0017","10.3764","0.0014","18.9139","0.0018","90","","121.136","0.006","90","","2098.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 Cu N2 O5 -","- C21 H26 Cu N2 O5 -","- C84 H104 Cu4 N8 O20 -","4","1","","Bhattacharya, Sagarika; Jana, Arpita; Mohanta, Sasankasekhar","Crystal structures of discrete, one-dimensional and cocrystalline copper(ii)‒uranyl(vi) systems: the influence of the reactant ratio in the competition between hydrogen bonds and coordinate bonds","CrystEngComm","2013","15","47","10374","","10.1039/c3ce41625a","","","0.71073","MoKα","","0.0729","0.0448","","","0.0997","0.1117","","","","","","1.023","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211434","13.4533","0.0005","9.833","0.0004","22.8428","0.0009","90","","93.222","0.005","90","","3017","0.2","130","1","130","1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C19 H12 F2 O3 -","- C19 H12 F2 O3 -","- C152 H96 F16 O24 -","8","4","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","1.54178","CuKα","","0.0341","0.0332","","","0.0909","0.0922","","","","","","1.016","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211435","7.3019","0.0006","10.2526","0.0009","13.043","0.001","94.613","0.007","103.996","0.007","110.709","0.008","871.3","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 F2 O3 -","- C21 H16 F2 O3 -","- C42 H32 F4 O6 -","2","1","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","0.71073","MoKα","","0.0744","0.0497","","","0.1161","0.1323","","","","","","1.047","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211436","6.9778","0.0003","11.1289","0.0005","11.5383","0.0005","96.213","0.003","98.252","0.004","93.542","0.004","878.8","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 F2 O3 -","- C21 H16 F2 O3 -","- C42 H32 F4 O6 -","2","1","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","0.71073","MoKα","","0.0853","0.048","","","0.1007","0.1134","","","","","","0.983","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211437","5.6775","0.0003","30.6798","0.0009","9.5451","0.0004","90","","105.898","0.004","90","","1599.02","0.12","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 F2 N2 O2 -","- C19 H14 F2 N2 O2 -","- C76 H56 F8 N8 O8 -","4","1","","Owczarzak, Anita M.; Samshuddin, Seranthimata; Narayana, Badiadka; Yathirajan, Hemmige S.; Kubicki, Maciej","Pseudosymmetry, polymorphism and weak interactions: 4,4′′-difluoro-5′-hydroxy-1,1′:3′,1′′-terphenyl-4′-carboxylic acid and its derivatives","CrystEngComm","2013","15","46","9893","","10.1039/c3ce41639a","","","1.54178","CuKα","","0.0426","0.0401","","","0.1058","0.1084","","","","","","1.039","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211438","13.4187","0.0006","9.2108","0.0004","23.0093","0.0009","90","","94.022","0.004","90","","2836.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N2 O4 -","- C17 H15 N2 O4 -","- C136 H120 N16 O32 -","8","1","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.1124","0.0556","","","0.1224","0.1397","","","","","","1.04","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211439","8.1505","0.0006","8.9476","0.0008","16.1219","0.0012","75.732","0.007","85.986","0.006","77.938","0.007","1114.09","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H30 N2 O8 -","- C21 H30 N2 O8 -","- C42 H60 N4 O16 -","2","1","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.1434","0.0574","","","0.1052","0.1345","","","","","","0.972","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211440","9.2171","0.0008","13.7702","0.001","16.1954","0.0014","78.083","0.007","79.755","0.007","81.159","0.007","1964.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N2 O6.5 -","- C21 H25 N2 O6.5 -","- C84 H100 N8 O26 -","4","2","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.3463","0.0984","","","0.1469","0.2268","","","","","","0.913","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211441","16.0482","0.0016","6.7332","0.0006","14.503","0.0019","90","","100.002","0.012","90","","1543.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 N4 O12 -","- C32 H36 N4 O12 -","- C64 H72 N8 O24 -","2","0.5","","d'Agostino, Simone; Grepioni, Fabrizia; Braga, Dario; Moreschi, Daniele; Fattori, Valeria; Delchiaro, Francesca; Di Motta, Simone; Negri, Fabrizia","Exciton coupling in molecular salts of 2-(1,8-naphthalimido)ethanoic acid and cyclic amines: modulation of the solid-state luminescence","CrystEngComm","2013","15","48","10470","","10.1039/c3ce41651h","","","0.71073","MoKα","","0.1919","0.0642","","","0.0997","0.1411","","","","","","0.958","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211442","7.0586","0.0004","11.6096","0.0004","12.8621","0.0007","90","","92.413","0.005","90","","1053.08","0.09","150","2","150","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N4 -","- C12 H10 N4 -","- C48 H40 N16 -","4","1","","Waidmann, Thomas; Fritsch, Nico; Tucher, Johannes; Rudolf, Marc; Glaser, Felix; Guldi, Dirk M.; Burzlaff, Nicolai","Battlement-shaped 1D coordination polymer based on a bis(N-methylimidazole-2-yl)butadiyne ligand","CrystEngComm","2013","15","47","10157","","10.1039/c3ce41652f","","x-ray","0.71073","MoKα","","0.0443","0.0387","","","0.0958","0.0993","","","","","","1.068","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211443","8.0568","0.001","10.3125","0.001","16.0151","0.0016","98.594","0.008","94.875","0.009","93.583","0.009","1307.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C44 H50 N8 O20 Zn5 -","- C44 H50 N8 O20 Zn5 -","- C44 H50 N8 O20 Zn5 -","1","0.5","","Waidmann, Thomas; Fritsch, Nico; Tucher, Johannes; Rudolf, Marc; Glaser, Felix; Guldi, Dirk M.; Burzlaff, Nicolai","Battlement-shaped 1D coordination polymer based on a bis(N-methylimidazole-2-yl)butadiyne ligand","CrystEngComm","2013","15","47","10157","","10.1039/c3ce41652f","","x-ray","0.71073","MoKα","","0.0931","0.053","","","0.1122","0.1285","","","","","","1.015","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211444","5.5732","0.0006","5.5732","0.0006","25.339","0.004","90","","90","","120","","681.6","0.15","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- H2 I4 K4 O27 V4 Zn4 -","- I4 K4 O27 V4 Zn4 -","- I4 K4 O27 V4 Zn4 -","1","0.0833333","","Yang, Bing-Ping; Xu, Xiang; Huang, Chao; Mao, Jiang-Gao","K4TM4(V2O7)2(IO3)4(H2O) (TM = Zn, Ni, Co): a series of quinary mixed metal‒vanadium(v)‒iodates","CrystEngComm","2013","15","48","10464","","10.1039/c3ce41653d","","","0.71073","MoKα","","0.0387","0.0347","","","0.07","0.0717","","","","","","1.23","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211445","5.5379","0.0002","5.5379","0.0002","25.931","0.002","90","","90","","120","","688.72","0.06","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- H2 I4 K4 Ni4 O27 V4 -","- I4 K3.992 Ni4 O27 V4 -","- I4 K3.992 Ni4 O27 V4 -","1","0.0833333","","Yang, Bing-Ping; Xu, Xiang; Huang, Chao; Mao, Jiang-Gao","K4TM4(V2O7)2(IO3)4(H2O) (TM = Zn, Ni, Co): a series of quinary mixed metal‒vanadium(v)‒iodates","CrystEngComm","2013","15","48","10464","","10.1039/c3ce41653d","","","0.71073","MoKα","","0.0521","0.0512","","","0.0968","0.0972","","","","","","1.391","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211446","5.584","0.0002","5.584","0.0002","25.991","0.002","90","","90","","120","","701.85","0.06","293","2","293","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- Co4 H2 I4 K4 O27 V4 -","- Co4 I4 K4.002 O27 V4 -","- Co4 I4 K4.002 O27 V4 -","1","0.0833333","","Yang, Bing-Ping; Xu, Xiang; Huang, Chao; Mao, Jiang-Gao","K4TM4(V2O7)2(IO3)4(H2O) (TM = Zn, Ni, Co): a series of quinary mixed metal‒vanadium(v)‒iodates","CrystEngComm","2013","15","48","10464","","10.1039/c3ce41653d","","","0.71073","MoKα","","0.0279","0.027","","","0.0689","0.0697","","","","","","1.212","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211447","10.0459","0.0002","11.4179","0.0003","15.4175","0.0003","90","","90","","90","","1768.43","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 Bi N3 O4 S2 -","- C14 H14 Bi N3 O4 S2 -","- C56 H56 Bi4 N12 O16 S8 -","4","1","","Sun, Yan-Qiong; Ge, Su-Zhi; Liu, Qi; Zhong, Jie-Cen; Chen, Yi-Ping","A novel 3-D chiral bismuth‒organic framework with mixed carboxylate, pyridine and thiolate donors exhibiting a semiconductive property","CrystEngComm","2013","15","47","10188","","10.1039/c3ce41696h","","","0.71073","MoKα","","0.0364","0.0277","","","0.0547","0.058","","","","","","1.017","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211448","9.2244","0.0013","12.2312","0.0017","14.169","0.002","85.858","0.002","73.698","0.002","75.367","0.002","1484.6","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H30 N6 O7 -","- C33 H30 N6 O7 -","- C66 H60 N12 O14 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0787","0.0618","","","0.1429","0.153","","","","","","1.058","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211449","9.24","0.004","12.251","0.005","14.291","0.006","85.662","0.007","74.595","0.006","75.064","0.006","1506.9","1.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N6 O7 -","- C34 H32 N6 O7 -","- C68 H64 N12 O14 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.09","0.0686","","","0.2084","0.2248","","","","","","1.085","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211450","9.0028","0.0007","12.1877","0.0009","14.2782","0.001","82.971","0.001","76.802","0.001","76.409","0.001","1478.65","0.19","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N6 O7 -","- C32 H28 N6 O7 -","- C64 H56 N12 O14 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0817","0.0622","","","0.1621","0.1733","","","","","","1.065","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211451","10.593","0.004","13.595","0.005","13.825","0.005","116.453","0.005","102.398","0.007","100.412","0.006","1651.7","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N6 O7 S -","- C34 H32 N6 O7 S -","- C68 H64 N12 O14 S2 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.1355","0.0812","","","0.2056","0.2365","","","","","","0.998","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211452","8.981","0.0009","12.4978","0.0012","20.847","0.002","84.296","0.002","78.149","0.002","76.41","0.002","2222.7","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H46 N6 O9 -","- C51 H46 N6 O9 -","- C102 H92 N12 O18 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0796","0.0681","","","0.1556","0.1626","","","","","","1.104","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211453","9.118","0.003","12.291","0.004","20.327","0.006","82.842","0.006","79.34","0.006","75.048","0.005","2155.8","1.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H38 N6 O8 -","- C48 H38 N6 O8 -","- C96 H76 N12 O16 -","2","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.1649","0.1185","","","0.2315","0.2539","","","","","","1.158","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211454","8.6103","0.0013","31.467","0.005","16.826","0.003","90","","103.106","0.003","90","","4440.1","1.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H41 N7 O7 -","- C51 H41 N7 O7 -","- C204 H164 N28 O28 -","4","1","","Wang, Jungang; Xiang, Jiachen; Wu, Anxin; Meng, Xianggao","Robust R22(8) hydrogen bonded dimer for crystal engineering of glycoluril derivatives","CrystEngComm","2013","15","46","10079","","10.1039/c3ce41702f","","","0.71073","MoKα","","0.0687","0.0472","","","0.1312","0.1528","","","","","","1.051","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211455","16.411","0.003","13.323","0.003","15.828","0.003","90","","98.087","0.003","90","","3426.3","1.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Dy Fe N11 O6 -","- C27 H33 Dy Fe N11 O6 -","- C108 H132 Dy4 Fe4 N44 O24 -","4","1","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0278","0.0221","","","0.0521","0.0546","","","","","","1.017","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211456","16.362","0.002","13.2326","0.0017","15.67","0.002","90","","98.246","0.002","90","","3357.7","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 Co Dy N11 O6 -","- C27 H33 Co Dy N11 O6 -","- C108 H132 Co4 Dy4 N44 O24 -","4","1","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0877","0.0429","","","0.0719","0.0813","","","","","","1.017","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211457","10.2315","0.0017","13.364","0.002","13.475","0.002","94.491","0.002","111.353","0.002","101.917","0.002","1655","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 Fe2 Ho2 N20 O14 -","- C50 H64 Fe2 Ho2 N20 O14 -","- C50 H64 Fe2 Ho2 N20 O14 -","1","0.5","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0355","0.0299","","","0.0837","0.1024","","","","","","1.129","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211458","10.179","0.002","13.196","0.003","13.425","0.003","93.782","0.004","111.077","0.002","102.158","0.003","1624.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H66 Co2 Ho2 N20 O15 -","- C50 H66 Co2 Ho2 N20 O15 -","- C50 H66 Co2 Ho2 N20 O15 -","1","0.5","","Muddassir, Mohd.; Song, Xiao-Jiao; Chen, Ying; Cao, Fan; Wei, Rong-Min; Song, You","Ion-induced diversity in structure and magnetic properties of hexacyanometalate‒lanthanide bimetallic assemblies","CrystEngComm","2013","15","48","10541","","10.1039/c3ce41704b","","","0.71073","MoKα","","0.0304","0.026","","","0.0806","0.1027","","","","","","1.228","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211459","15.8147","0.0005","18.6849","0.0006","21.3439","0.0007","75.3559","0.0015","88.6776","0.0015","68.4075","0.0014","5656.8","0.3","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C100 H74 B2 F48 Se12 -","- C100 H74 B2 F48 Se12 -","- C200 H148 B4 F96 Se24 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","1.54178","CuKα","","0.0507","0.0359","","","0.0835","0.0909","","","","","","1.028","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211460","14.3266","0.0008","14.8667","0.0009","20.0581","0.0011","90","","90","","90","","4272.2","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H28 B F24 N2 -","- C42 H28 B F24 N2 -","- C168 H112 B4 F96 N8 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","1.54178","CuKα","","0.0556","0.0477","","","0.1226","0.1284","","","","","","1.041","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211461","15.022","0.012","32.94","0.03","13.667","0.01","90","","109.008","0.01","90","","6394","9","100","2","99.98","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H36 B F24 -","- C72 H36 B F24 -","- C288 H144 B4 F96 -","4","0.5","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.0907","0.0555","","","0.144","0.1582","","","","","","1.071","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211462","16.96","0.004","32.662","0.007","14.213","0.003","90","","100.821","0.006","90","","7733","3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C76 H64 B F24 -","- C76 H64 B F24 -","- C304 H256 B4 F96 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.1431","0.0698","","","0.1748","0.2007","","","","","","0.934","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211463","12.8081","0.0003","13.7618","0.0004","13.8612","0.0004","109.975","0.0013","90.7942","0.0013","97.8496","0.0013","2269.9","0.11","100","2","100.04","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 B F24 S4 -","- C42 H24 B F24 S4 -","- C84 H48 B2 F48 S8 -","2","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.0676","0.0424","","","0.096","0.1086","","","","","","1.035","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211464","16.355","0.004","33.297","0.009","14.053","0.004","90","","103.984","0.005","90","","7426","3","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H60 B F24 -","- C72 H60 B F24 -","- C288 H240 B4 F96 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.1461","0.0752","","","0.1949","0.2202","","","","","","0.988","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211465","13.058","0.002","15.975","0.003","21.315","0.004","90","","93.417","0.004","90","","4438.4","1.4","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H18 B Cl2 F24 S4 -","- C39 H18 B Cl2 F24 S4 -","- C156 H72 B4 Cl8 F96 S16 -","4","1","","Rosokha, Sergiy V.; Stern, Charlotte L.; Ritzert, Jeremy T.","π-Bonded molecular wires: self-assembly of mixed-valence cation-radical stacks within the nanochannels formed by inert tetrakis[3,5-bis(trifluoromethyl)phenyl]borate anions","CrystEngComm","2013","15","48","10638","","10.1039/c3ce41719k","","","0.71073","MoKα","","0.1231","0.0648","","","0.144","0.1732","","","","","","1.016","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211466","14.6567","0.0003","14.6567","0.0003","14.6567","0.0003","90","","90","","90","","3148.54","0.11","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C16 H36 I6 N4 Pb -","- C16 H35.88 I6 N4 Pb -","- C64 H143.52 I24 N16 Pb4 -","4","0.166667","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0296","0.0296","","","0.076","0.076","","","","","","1.341","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211467","9.3555","0.0006","20.2788","0.0012","14.7688","0.001","90","","126.541","0.004","90","","2251.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 I10 N4 Pb3 -","- C20 H44 I10 N4 Pb3 -","- C40 H88 I20 N8 Pb6 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0371","0.0298","","","0.0588","0.0609","","","","","","0.948","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211468","10.839","0.004","20.008","0.006","12.216","0.004","90","","110.346","0.003","90","","2484","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 I10 N4 Pb3 -","- C24 H52 I10 N4 Pb3 -","- C48 H104 I20 N8 Pb6 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0599","0.0511","","","0.1383","0.1463","","","","","","1.108","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211469","10.1927","0.0004","10.1927","0.0004","14.8276","0.001","90","","90","","120","","1334.07","0.12","293","2","293","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C6 H18 I6 N2 O Pb -","- C6 H14 I6 N2 O Pb -","- C12 H28 I12 N4 O2 Pb2 -","2","0.166667","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0297","0.0294","","","0.0791","0.0792","","","","","","1.166","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211470","15.5866","0.0006","32.6596","0.0015","9.4273","0.0004","90","","90","","90","","4799","0.4","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H82 I24 N10 Pb7 -","- C36 H82 I24 N10 Pb7 -","- C72 H164 I48 N20 Pb14 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0323","0.0277","","","0.0425","0.0442","","","","","","0.886","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211471","9.1225","0.0011","22.378","0.003","15.398","0.002","90","","95.343","0.002","90","","3129.7","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 I12 N4 O Pb4 -","- C40 H54 I12 N4 O Pb4 -","- C80 H108 I24 N8 O2 Pb8 -","2","0.5","","Wang, Guan-E; Jiang, Xiao-Ming; Zhang, Ming-Jian; Chen, Hui-Fen; Liu, Bin-Wen; Wang, Ming-Sheng; Guo, Guo-Cong","Crystal structures and optical properties of iodoplumbates hybrids templated by in situ synthesized 1,4-diazabicyclo[2.2.2]octane derivatives","CrystEngComm","2013","15","47","10399","","10.1039/c3ce41720d","","","0.71073","MoKα","","0.0257","0.0219","","","0.0439","0.0448","","","","","","0.951","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211472","9.9838","0.0004","19.7383","0.0008","19.7279","0.0009","90","","106.96","0.003","90","","3718.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 Co N6 O4 -","- C44 H28 Co N6 O4 -","- C176 H112 Co4 N24 O16 -","4","1","","Yang, Juan; Liu, Junliang; Wang, Xin; Chi, Xiaolin; Zhang, Jinling; Zhang, Huayi; Xiao, Dongrong; Luo, Qunli","An unusual 3D 8-connected entangled coordination network with coexistence of self-threading, polythreading and interpenetration","CrystEngComm","2013","15","48","10435","","10.1039/c3ce41727a","","","0.71073","MoKα","","0.1663","0.0611","","","0.0887","0.1083","","","","","","1.117","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211473","21.96","0.004","7.655","0.0015","6.167","0.0012","90","","91.47","0.03","90","","1036.4","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0269","0.0268","","","0.0654","0.0655","","","","","","1.061","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211474","21.963","0.004","7.6577","0.0015","6.1689","0.0012","90","","91.48","0.03","90","","1037.2","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0291","0.0286","","","0.0652","0.0654","","","","","","1.09","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211475","7.6439","0.0015","22.013","0.004","6.1556","0.0012","90","","90","","90","","1035.8","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0399","0.0382","","","0.0629","0.0638","","","","","","1.073","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211476","7.6486","0.0015","22.019","0.004","6.155","0.0012","90","","90","","90","","1036.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C8 H20 Ce2 O22 S -","- C8 H20 Ce2 O22 S -","- C16 H40 Ce4 O44 S2 -","2","0.5","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0206","0.0203","","","0.0493","0.0495","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7211477","5.9704","0.0012","23.888","0.005","10.792","0.002","90","","105.03","0.03","90","","1486.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Ce2 O17 S2 -","- C4 H10 Ce2 O17 S2 -","- C16 H40 Ce8 O68 S8 -","4","1","","Qi, Jin-Li; Zheng, Yue-Qing; Xu, Wei; Zhu, Hong-Lin; Lin, Jian-Li; Chang, Hai-Sheng","New Ce(iii) sulfate‒tartrate-based MOFs: an insight into the controllable self-assembly of acentric metal‒organic complexes","CrystEngComm","2013","15","48","10618","","10.1039/c3ce41740a","","","0.71073","MoKα","","0.0433","0.0346","","","0.0702","0.0733","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7211478","11.03","0.002","13.57","0.003","13.623","0.003","90","","113.4","0.03","90","","1871.3","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H32 Cu2 N8 O14 -","- C40 H32 Cu2 N8 O14 -","- C80 H64 Cu4 N16 O28 -","2","0.5","","Simões, Tatiana R. G.; do Pim, Walace D.; Silva, Ingrid F.; Oliveira, Willian X. C.; Pinheiro, Carlos B.; Pereira, Cynthia L. M.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.","Solvent-driven dimensionality control in molecular systems containing CuII, 2,2′-bipyridine and an oxamato-based ligand","CrystEngComm","2013","15","47","10165","","10.1039/c3ce41783b","","","1.5418","CuKα","","0.0548","0.0379","","","0.0903","0.1005","","","","","","1.036","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211479","13.5402","0.0008","11.3945","0.0007","16.0434","0.0009","90","","90","","90","","2475.2","0.3","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C21 H17 Cu N4 O7 S -","- C21 H17 Cu N4 O7 S -","- C84 H68 Cu4 N16 O28 S4 -","4","0.5","","Simões, Tatiana R. G.; do Pim, Walace D.; Silva, Ingrid F.; Oliveira, Willian X. C.; Pinheiro, Carlos B.; Pereira, Cynthia L. M.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.","Solvent-driven dimensionality control in molecular systems containing CuII, 2,2′-bipyridine and an oxamato-based ligand","CrystEngComm","2013","15","47","10165","","10.1039/c3ce41783b","","","0.71073","MoKα","","0.0777","0.0484","","","0.1289","0.1578","","","","","","0.816","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211480","22.9907","0.0019","22.9907","0.0019","22.9907","0.0019","90","","90","","90","","12152.2","1.7","200","2","200","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C36 H60 K6 N12 O62 Rh4 S12 Zn4 -","- C36 H60 K6 N12 O62 Rh4 S12 Zn4 -","- C144 H240 K24 N48 O248 Rh16 S48 Zn16 -","4","0.333333","","Yoshinari, Nobuto; Yamashita, Ukyo; Konno, Takumi","A 1 : 1 intercluster compound consisting of +6 and −6 charged RhIII4ZnII4 octanuclear cations and anions with aminothiolate ligands","CrystEngComm","2013","15","46","10016","","10.1039/c3ce41800f","","","0.7107","MoKα","","0.0614","0.06","","","0.1658","0.171","","","","","","1.113","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211481","23.6018","0.0003","26.1777","0.0005","28.6623","0.0005","90","","90","","90","","17708.7","0.5","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H132 N24 O90 Rh8 S24 Zn8 -","- C60 H132 N24 O90 Rh8 S24 Zn8 -","- C240 H528 N96 O360 Rh32 S96 Zn32 -","4","1","","Yoshinari, Nobuto; Yamashita, Ukyo; Konno, Takumi","A 1 : 1 intercluster compound consisting of +6 and −6 charged RhIII4ZnII4 octanuclear cations and anions with aminothiolate ligands","CrystEngComm","2013","15","46","10016","","10.1039/c3ce41800f","","","0.71075","MoKα","","0.0796","0.0574","","","0.1147","0.1254","","","","","","1.082","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211482","5.178","0.004","7.208","0.005","8.889","0.007","90","","100.84","0.009","90","","325.8","0.4","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Kawabata, Yohei; Kikuchi, Kentaro; Ono, Toshio; Hosokoshi, Yuko; Fujita, Wataru","Large structural transformation and ferromagnetic ordering in a coordination polymer with a two-dimensional square-planar lattice, bis(glycolato)copper(ii)","CrystEngComm","2013","15","47","10193","","10.1039/c3ce41806e","","","0.71075","MoKα","","","0.0457","","","","0.1166","","","","","","1.118","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211483","5.0908","0.0008","8.6939","0.0012","7.73","0.0014","90","","107.141","0.008","90","","326.93","0.09","249","","249","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Cu O6 -","- C4 H6 Cu O6 -","- C8 H12 Cu2 O12 -","2","0.5","","Yoneyama, Shota; Kodama, Takeshi; Kikuchi, Koichi; Kawabata, Yohei; Kikuchi, Kentaro; Ono, Toshio; Hosokoshi, Yuko; Fujita, Wataru","Large structural transformation and ferromagnetic ordering in a coordination polymer with a two-dimensional square-planar lattice, bis(glycolato)copper(ii)","CrystEngComm","2013","15","47","10193","","10.1039/c3ce41806e","","","0.71075","MoKα","","","0.0255","","","","0.064","","","","","","1.183","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211484","19.392","0.012","7.228","0.005","9.387","0.006","90","","90","","90","","1315.7","1.5","273","2","273","2","","","","","","","","5","I m m a","-I 2b 2","74","","","","- C13 H9 Co N O5 -","- C13 H9 Co N O5 -","- C52 H36 Co4 N4 O20 -","4","0.25","","Liu, Yongxin; Liu, Dan; Yu, Yang; Xu, Jin; Han, Xiaohui; Wang, Cheng","Structural and magnetic investigation of CoII/MnII-based MIL-53 analogues with mixed ligands of neutral N-oxides and organic carboxylates","CrystEngComm","2013","15","48","10611","","10.1039/c3ce41824c","","","0.71073","MoKα","","0.0567","0.052","","","0.1593","0.162","","","","","","1.14","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211485","7.1654","0.0003","18.5414","0.0008","10.8922","0.0005","90","","90","","90","","1447.1","0.11","273","2","273","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H11 Co N O5 -","- C14 H11 Co N O5 -","- C56 H44 Co4 N4 O20 -","4","0.5","","Liu, Yongxin; Liu, Dan; Yu, Yang; Xu, Jin; Han, Xiaohui; Wang, Cheng","Structural and magnetic investigation of CoII/MnII-based MIL-53 analogues with mixed ligands of neutral N-oxides and organic carboxylates","CrystEngComm","2013","15","48","10611","","10.1039/c3ce41824c","","","0.71073","MoKα","","0.0276","0.0255","","","0.0647","0.0656","","","","","","1.081","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211486","13.9309","0.0004","13.9309","0.0004","27.6863","0.0012","90","","90","","120","","4653.2","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C12 H15 N15 O15 Zn9 -","- C12 H15 N15 O15 Zn9 -","- C72 H90 N90 O90 Zn54 -","6","1","","Wen, Jiong; Yang, Xiao-Gang; Guo, Wei; Liu, Chun-Sen; Du, Miao","A unique 3-D (3,18)-connected coordination framework based on a new type of {Zn18} double-stranded metallacrown","CrystEngComm","2013","15","47","10171","","10.1039/c3ce41828f","","","0.71073","MoKα","","0.0879","0.0557","","","0.1875","0.2221","","","","","","1.052","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7211487","13.4158","0.0004","21.8551","0.0006","14.4779","0.0004","90","","92.291","0.003","90","","4241.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C104 H72 Cd3 O20 P2 -","- C104 H72 Cd3 O20 P2 -","- C208 H144 Cd6 O40 P4 -","2","0.5","","Chen, Shu-Mei; Chen, Yan-Fei; Lin, Rui; Lei, Xiao-Ping; Zhang, Jian","Organic templates promoted photocatalytic and photoluminescent properties between two coordination polymers","CrystEngComm","2013","15","48","10423","","10.1039/c3ce41930d","","","0.71073","MoKα","","0.0557","0.0352","","","0.0883","0.0984","","","","","","0.801","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211488","15.1394","0.0007","16.567","0.0007","17.868","0.0007","95.399","0.003","97.074","0.003","102.332","0.004","4311.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H68 Cd3 N O20 -","- C72 H68 Cd3 N O20 -","- C144 H136 Cd6 N2 O40 -","2","1","","Chen, Shu-Mei; Chen, Yan-Fei; Lin, Rui; Lei, Xiao-Ping; Zhang, Jian","Organic templates promoted photocatalytic and photoluminescent properties between two coordination polymers","CrystEngComm","2013","15","48","10423","","10.1039/c3ce41930d","","","0.71073","MoKα","","0.0992","0.0831","","","0.2448","0.2624","","","","","","1.143","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211489","23.8424","0.0005","14.7858","0.0003","7.6296","0.0002","90","","90","","90","","2689.65","0.11","200","2","200","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C15 H23 Cd2 N9 O15 S2 -","- C15 H23 Cd2 N9 O15 S2 -","- C60 H92 Cd8 N36 O60 S8 -","4","0.5","","Safin, Damir A.; Xu, Yang; Korobkov, Ilia; Bryce, David L.; Murugesu, Muralee","Renaissance of the coordination chemistry of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT). Part I: First crystal structure of a TPymT complex with a d-metal cation","CrystEngComm","2013","15","48","10419","","10.1039/c3ce42146e","","","0.71073","MoKα","","0.0266","0.0219","","","0.0569","0.0594","","","","","","1.009","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211490","14.5748","0.0014","7.2463","0.0007","24.444","0.002","90","","90","","90","","2581.6","0.4","15","","15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H9 N2 P S2 -","- C14 H9 N2 P S2 -","- C112 H72 N16 P8 S16 -","8","1","","Hey, Jakob; Leusser, Dirk; Kratzert, Daniel; Fliegl, Heike; Dieterich, Johannes M.; Mata, Ricardo A.; Stalke, Dietmar","Heteroaromaticity approached by charge density investigations and electronic structure calculations.","Physical chemistry chemical physics : PCCP","2013","15","47","20600","20610","10.1039/c3cp53756k","","","0.71073","MoKα","","0.015","0.015","","","","0.029","","","","","","1.434","","","","has coordinates","180445","2020-10-21","18:00:00",""
"7211491","29.861","0.003","10.2141","0.0011","21.675","0.002","90","","117.455","0.001","90","","5866.4","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cl N O7 -","- C32 H26 Cl N O7 -","- C256 H208 Cl8 N8 O56 -","8","1","","Wang, Huiyan; Liu, Xuecheng; Feng, Xian; Huang, Zhibin; Shi, Daqing","GAP chemistry for pyrrolyl coumarin derivatives: a highly efficient one-pot synthesis under catalyst-free conditions","Green Chemistry","2013","15","12","3307","","10.1039/c3gc41799a","","","0.71073","MoKα","","0.1042","0.0517","","","0.1258","0.1518","","","","","","1.018","","","","has coordinates,has disorder","180445","2020-10-21","18:00:00",""
"7214523","20.507","0.009","16.63","0.007","14.456","0.006","90","","113.214","0.007","90","","4531","3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H25 N6 O13 Tb -","- C13 H15 N6 O13 Tb -","- C104 H120 N48 O104 Tb8 -","8","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.079","0.0631","","","0.1687","0.1838","","","","","","1.063","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214524","11.252","0.006","15.764","0.009","9.851","0.006","90","","93.173","0.008","90","","1744.7","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Eu N6 O11 -","- C11 H16 Eu N6 O11 -","- C44 H64 Eu4 N24 O44 -","4","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.0628","0.0515","","","0.1464","0.1558","","","","","","1.089","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214525","11.225","0.004","15.717","0.005","9.817","0.003","90","","93.16","0.005","90","","1729.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Gd N6 O11 -","- C11 H16 Gd N6 O11 -","- C44 H64 Gd4 N24 O44 -","4","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.0844","0.0724","","","0.1782","0.1886","","","","","","1.078","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214526","11.1943","0.0006","15.6877","0.0013","9.8087","0.0006","90","","93.125","0.006","90","","1720","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 N6 O11 Tb -","- C11 H16 N6 O11 Tb -","- C44 H64 N24 O44 Tb4 -","4","1","","Huang, Yihui; Zhu, Qilong; Sheng, Tianlu; Hu, Shengmin; Fu, Ruibiao; Shen, Chaojun; Tan, Chunhong; Wen, Yuehong; Bai, Songyan; Wu, Xintao","Lanthanide coordination polymers assembled from triazine-based flexible polycarboxylate ligands and their luminescent properties","CrystEngComm","2013","15","18","3560","","10.1039/c3ce27020c","","","0.71073","MoKα","","0.0384","0.0364","","","0.0942","0.0962","","","","","","1.051","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214527","4.664","0.002","13.625","0.006","6.339","0.002","90","","115.82","0.03","90","","362.6","0.3","296","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C8 H4 Mn O4 -","- C8 H4 Mn O4 -","- C16 H8 Mn2 O8 -","2","0.5","","Li, Ya-Min; Xiao, Chang-Yu; Zhang, Xu-Dong; Xu, Yan-Qing; Lun, Hui-Jie; Niu, Jing-Yang","MnII, CuII and CoII coordination polymers showing antiferromagnetism, and the coexistence of spin frustration and long range magnetic ordering","CrystEngComm","2013","15","38","7756","","10.1039/c3ce41046c","","","0.71073","MoKα","","0.0459","0.0435","","","0.1193","0.1199","","","","","","1.218","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214528","13.171","0.005","5.1292","0.0018","11.719","0.004","90","","110.745","0.006","90","","740.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Cu N0 O4 -","- C8 H4 Cu O4 -","- C32 H16 Cu4 O16 -","4","1","","Li, Ya-Min; Xiao, Chang-Yu; Zhang, Xu-Dong; Xu, Yan-Qing; Lun, Hui-Jie; Niu, Jing-Yang","MnII, CuII and CoII coordination polymers showing antiferromagnetism, and the coexistence of spin frustration and long range magnetic ordering","CrystEngComm","2013","15","38","7756","","10.1039/c3ce41046c","","","0.71073","MoKα","","0.0535","0.0444","","","0.107","0.1106","","","","","","1.064","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214529","11.648","0.002","12.091","0.003","11.846","0.003","90","","103.245","0.004","90","","1624","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Co3 O10 -","- C16 H10 Co3 O10 -","- C64 H40 Co12 O40 -","4","1","","Li, Ya-Min; Xiao, Chang-Yu; Zhang, Xu-Dong; Xu, Yan-Qing; Lun, Hui-Jie; Niu, Jing-Yang","MnII, CuII and CoII coordination polymers showing antiferromagnetism, and the coexistence of spin frustration and long range magnetic ordering","CrystEngComm","2013","15","38","7756","","10.1039/c3ce41046c","","","0.71073","MoKα","","0.0601","0.0409","","","0.1045","0.1136","","","","","","0.966","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214530","18.961","0.004","18.961","0.004","50.901","0.01","90","","90","","120","","15848","6","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C34 H14 Cu3 O15 -","- C34 H14 Cu3 O15 -","- C204 H84 Cu18 O90 -","6","0.25","","Lu, Zhiyong; Du, Liting; Zheng, Baishu; Bai, Junfeng; Zhang, Mingxing; Yun, Ruirui","A highly porous agw-type metal‒organic framework and its CO2 and H2 adsorption capacity","CrystEngComm","2013","15","45","9348","","10.1039/c3ce41119b","","","0.71073","MoKα","","0.17","0.1023","","","0.34","0.3758","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214531","22.6591","0.0011","22.6591","0.0011","12.7035","0.0012","90","","90","","90","","6522.4","0.8","173","2","173","2","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C26.5 H27.75 Co N2 O7.38 -","- C26.5 H16 Co N2 O7.38 -","- C212 H128 Co8 N16 O59.04 -","8","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.0909","0.0666","","","0.2142","0.2347","","","","","","1.051","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214532","17.0218","0.0005","10.599","0.0003","18.3064","0.0005","90","","106.073","0.001","90","","3173.63","0.16","173","2","173","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C55 H57.9 Co2 N4 O16.35 -","- C55.2 H48 Co2 N4 O16.35 -","- C110.4 H96 Co4 N8 O32.7 -","2","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.0715","0.0569","","","0.1746","0.1951","","","","","","1.074","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214533","10.7022","0.0004","10.7022","0.0004","22.8742","0.0019","90","","90","","120","","2268.9","0.2","173","2","173","2","","","","","","","","5","P 32","P 32","145","","","","- C26.4 H24.2 Co N2 O7.1 -","- C26.4 H22 Co N2 O7.1 -","- C79.2 H66 Co3 N6 O21.3 -","3","1","","Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.","Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate","CrystEngComm","2013","15","45","9521","","10.1039/c3ce41064a","","","0.71073","MoKα","","0.1398","0.1046","","","0.2944","0.3235","","","","","","1.298","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214534","17.753","0.0015","17.8428","0.0015","19.7082","0.0017","102.91","0.002","102.857","0.002","90.683","0.002","5920","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Cu F20 N12 O9 S2 -","- C50 H24 Cu F20 N12 O9 S2 -","- C200 H96 Cu4 F80 N48 O36 S8 -","4","2","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1518","0.0829","","","0.2092","0.2412","","","","","","0.941","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214535","14.069","0.0015","16.4751","0.0018","17.8873","0.0019","70.271","0.002","81.333","0.002","67.876","0.002","3614","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H42 Cd2 F20 N12 O17 S4 -","- C52 H36 Cd2 F20 N12 O17 S4 -","- C104 H72 Cd4 F40 N24 O34 S8 -","2","1","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0997","0.0688","","","0.1769","0.1966","","","","","","1.049","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214536","42.976","0.014","7.96","0.003","8.547","0.003","90","","96.42","0.005","90","","2905.5","1.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 Cu F10 N4 O3 -","- C26 H14 Cl2 Cu F10 N4 O3 -","- C104 H56 Cl8 Cu4 F40 N16 O12 -","4","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1244","0.1141","","","0.2674","0.2736","","","","","","1.309","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214537","16.085","0.0007","16.085","0.0007","20.6375","0.0012","90","","90","","90","","5339.5","0.5","298","2","298","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C48 H22 Cl2 Cu F20 N8 O13 -","- C48 H20 Cl2 Cu F20 N8 O13 -","- C192 H80 Cl8 Cu4 F80 N32 O52 -","4","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0791","0.0678","","","0.2069","0.2269","","","","","","1.028","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214538","15.859","0.002","20.759","0.003","16.412","0.002","90","","90.95","0.003","90","","5402.4","1.2","100","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H24 B2 Cu F28 N8 O6 -","- C48 H20 B2 Cu F28 N8 O6 -","- C192 H80 B8 Cu4 F112 N32 O24 -","4","1","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1097","0.0729","","","0.1891","0.2206","","","","","","1.031","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214539","22.2079","0.0012","22.2079","0.0012","11.9119","0.0013","90","","90","","90","","5874.8","0.8","100","2","100","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C96 H48 Cl4 Cu2 F40 N16 O12 -","- C96 H40 Cl4 Cu2 F40 N16 O12 -","- C192 H80 Cl8 Cu4 F80 N32 O24 -","2","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1122","0.0982","","","0.2629","0.2771","","","","","","1.005","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214540","20.7225","0.0011","10.7393","0.0006","23.8872","0.0013","90","","101.536","0.001","90","","5208.6","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H20 Cl4 Cu2 F20 N8 O5 -","- C48 H20 Cl4 Cu2 F20 N8 O5 -","- C192 H80 Cl16 Cu8 F80 N32 O20 -","4","1","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0663","0.0441","","","0.1258","0.1452","","","","","","0.975","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214541","12.1671","0.0009","14.9959","0.0012","7.1861","0.0005","90","","100.349","0.002","90","","1289.82","0.17","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 Cl2 Cu F10 N4 O2 -","- C24 H10 Cl2 Cu F10 N4 O2 -","- C48 H20 Cl4 Cu2 F20 N8 O4 -","2","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0512","0.0399","","","0.1169","0.1283","","","","","","0.984","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214542","17.8802","0.0014","17.8802","0.0014","8.4406","0.0009","90","","90","","90","","2698.5","0.4","298","2","298","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C48 H45 Cu N12 O15 S -","- C48 H45 Cu N12 O15 S -","- C96 H90 Cu2 N24 O30 S2 -","2","0.25","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.0847","0.0784","","","0.2371","0.2412","","","","","","1.16","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214543","4.8692","0.0008","47.735","0.008","6.2805","0.001","90","","91.129","0.004","90","","1459.5","0.4","298","2","298","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C26 H16 Cu F10 N4 O7 S -","- C26 H14 Cu F10 N4 O7 S -","- C52 H28 Cu2 F20 N8 O14 S2 -","2","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1148","0.0949","","","0.22","0.2359","","","","","","1.261","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214544","42.46","0.015","8.054","0.003","18.087","0.006","90","","98.341","0.006","90","","6120","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H34 Cu F26 N8 O7 Si -","- C52 H28 Cu F26 N8 O7 Si -","- C208 H112 Cu4 F104 N32 O28 Si4 -","4","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Studying fluorous interactions in a series of coordination compounds derived from mono-pyridyl ligands equipped with hydrogen bonding functionality: exploiting anion⋯πF interaction in separating ClO4− anion from a competing mixture of anions","CrystEngComm","2013","15","45","9415","","10.1039/c3ce40359a","","","0.71073","MoKα","","0.1386","0.0916","","","0.2497","0.2937","","","","","","0.995","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214545","13.758","0.0011","25.2156","0.0018","14.9205","0.0011","90","","111.399","0.004","90","","4819.3","0.6","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","(Zn(bpdc-[NO2]2(dabco)(DMF))n","","","- C20 H10 N4 O9 Zn -","- C20 H10 N4 O9 Zn -","- C160 H80 N32 O72 Zn8 -","8","1","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","1.54178","CuKα","","0.0704","0.0645","","","0.1942","0.2009","","","","","","1.118","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214546","28.0614","0.0011","30.0942","0.0019","30.0947","0.0012","90","","90","","90","","25415","2","250","2","250","2","","","","","","","","5","F m m m","-F 2 2","69","BMOF-1-bpdc-[NO2]2","","","- C48 H0 N8 O17 Zn2 -","- C48 N8 O17.002 Zn2 -","- C768 N128 O272.032 Zn32 -","16","0.5","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","1.54178","CuKα","","0.1671","0.1579","","","0.5586","0.5968","","","","","","1.097","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214547","21.3799","0.0018","21.4597","0.0018","27.944","0.002","90","","90","","90","","12820.9","1.8","250","2","250","2","","","","","","","","5","C c c m","-C 2 2c","66","BMOF-1-bpdc-NO2","","","- C38 H8 N6 O8 Zn2 -","- C37.92 H8 N6 O8 Zn2 -","- C151.68 H32 N24 O32 Zn8 -","4","0.25","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","0.71073","MoKα","","0.0886","0.0466","","","0.1265","0.1379","","","","","","0.993","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214548","21.355","0.002","21.355","0.002","19.211","0.002","90","","90","","90","","8760.9","1.5","250","2","250","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","DMOF-1-bpdc-NO2","","","- C36 H0 N2 O8 Zn2 -","- C36 N2 O8 Zn2 -","- C144 N8 O32 Zn8 -","4","0.125","","Dau, Phuong V.; Cohen, Seth M.","The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs","CrystEngComm","2013","15","45","9304","","10.1039/c3ce41124a","","","0.71073","MoKα","","0.1058","0.0647","","","0.2214","0.2398","","","","","","1.014","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214549","20.8424","0.0008","10.6114","0.0003","9.0023","0.0004","90","","111.686","0.004","90","","1850.09","0.13","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H8 Mo O7 P -","- C4 H8 Mo O7 P -","- C32 H64 Mo8 O56 P8 -","8","1","","Ayi, Ayi A.; Burrows, Andrew D.; Mahon, Mary F.; Sebestyen, Viorica M.","A molybdenum diphosphonate network structure exhibiting reversible dehydration and selective uptake of methanol","CrystEngComm","2013","15","45","9301","","10.1039/c3ce40484f","","","0.7107","MoKα","","0.0328","0.02","","","0.0405","0.0415","","","","","","0.946","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214550","17.4807","0.0003","17.4807","0.0003","10.435","0.0002","90","","90","","120","","2761.47","0.09","100","2","100","2","","","","","","","","5","P 61","P 61","169","ThrZnOAc","","","- C12 H26 N2 O10 Zn -","- C12 H16 N2 O10 Zn -","- C72 H96 N12 O60 Zn6 -","6","1","","Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul","Relating pore hydrophilicity with vapour adsorption capacity in a series of amino acid based metal organic frameworks","CrystEngComm","2013","15","45","9634","","10.1039/c3ce41083h","","","0.71073","MoKα","","0.0533","0.0513","","","0.1358","0.1378","","","","","","1.051","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214551","20.3296","0.0018","10.0183","0.0009","20.7795","0.0019","90","","103.925","0.001","90","","4107.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N6 O16 Zn2 -","- C42 H30 N6 O16 Zn2 -","- C168 H120 N24 O64 Zn8 -","4","0.5","","He, Xiang; Lu, Xiao-Peng; Tian, Yu-Yang; Li, Ming-Xing; Zhu, Shourong; Xing, Feifei; Morris, Russell E.","Controlling interpenetration in metal‒organic frameworks by tuning the conformations of flexible bis(triazole) ligands","CrystEngComm","2013","15","45","9437","","10.1039/c3ce40445e","","","0.71073","MoKα","","0.0853","0.0602","","","0.1417","0.1617","","","","","","1.072","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214552","10.1203","0.0019","12.479","0.002","12.856","0.002","114.531","0.002","100.79","0.002","92.305","0.002","1438.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H46 N12 O10 Zn2 -","- C60 H46 N12 O10 Zn2 -","- C60 H46 N12 O10 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Tian, Yu-Yang; Li, Ming-Xing; Zhu, Shourong; Xing, Feifei; Morris, Russell E.","Controlling interpenetration in metal‒organic frameworks by tuning the conformations of flexible bis(triazole) ligands","CrystEngComm","2013","15","45","9437","","10.1039/c3ce40445e","","","0.71073","MoKα","","0.117","0.0806","","","0.236","0.2581","","","","","","1.101","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214553","16.1284","0.0002","16.1284","0.0002","5.2134","0.0001","90","","90","","90","","1356.14","0.04","298","2","298","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C24 H20 Cd Cl2 N8 O4 -","- C24 H20 Cd Cl2 N8 O4 -","- C48 H40 Cd2 Cl4 N16 O8 -","2","0.25","","Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti","Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation","CrystEngComm","2013","15","45","9457","","10.1039/c3ce40754c","","","0.71073","MoKα","","0.0258","0.0243","","","0.0676","0.0686","","","","","","1.068","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214554","10.6965","0.0005","10.9917","0.0005","11.8093","0.0005","99.715","0.002","98.778","0.002","92.825","0.002","1348.49","0.11","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Cd Cl2 N16 O10 -","- C48 H44 Cd Cl2 N16 O10 -","- C48 H44 Cd Cl2 N16 O10 -","1","0.5","","Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti","Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation","CrystEngComm","2013","15","45","9457","","10.1039/c3ce40754c","","","0.71073","MoKα","","0.0491","0.0447","","","0.1352","0.1399","","","","","","1.04","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214555","7.4763","0.0001","8.3707","0.0001","9.0121","0.0001","93.246","0.001","113.291","0.001","105.23","0.001","491.575","0.012","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cd N4 O8 -","- C16 H22 Cd N4 O8 -","- C16 H22 Cd N4 O8 -","1","0.5","","Bhattacharya, Biswajit; Dey, Rajdip; Maity, Dilip Kumar; Ghoshal, Debajyoti","Formation of three new metal organic hybrids of Cd(ii) with N,N′ donor spacer: an in situ perchlorate to chloride transformation","CrystEngComm","2013","15","45","9457","","10.1039/c3ce40754c","","","0.71073","MoKα","","0.018","0.0178","","","0.0476","0.0477","","","","","","1.097","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214556","5.8966","0.0003","26.491","0.0016","9.3632","0.0006","90","","104.022","0.002","90","","1419.01","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O7 Sr -","- C13 H10 N2 O7 Sr -","- C52 H40 N8 O28 Sr4 -","4","1","","Roy, Bijan; Mukherjee, Sandip; Mukherjee, Partha Sarathi","Sr2+ and Cd2+ coordination polymers: the effect of the different coordinating behaviour of a newly designed tricarboxylic acid","CrystEngComm","2013","15","45","9596","","10.1039/c3ce41080c","","","0.71073","MoKα","","0.067","0.0486","","","0.1159","0.1289","","","","","","1.167","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214557","18.775","0.004","11.423","0.002","22.206","0.005","90","","90.663","0.006","90","","4762.1","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H53 Cd2 N7 O24 -","- C35 H53 Cd2 N7 O24 -","- C140 H212 Cd8 N28 O96 -","4","1","","Roy, Bijan; Mukherjee, Sandip; Mukherjee, Partha Sarathi","Sr2+ and Cd2+ coordination polymers: the effect of the different coordinating behaviour of a newly designed tricarboxylic acid","CrystEngComm","2013","15","45","9596","","10.1039/c3ce41080c","","","0.71073","MoKα","","0.0739","0.0432","","","0.0841","0.0925","","","","","","1.062","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214558","12.6341","0.0008","35.035","0.002","8.0278","0.0005","90","","104.375","0.003","90","","3442.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 N10 O10 S -","- C29 H36 N10 O10 S -","- C116 H144 N40 O40 S4 -","4","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","A supramolecular dual-host based ion-pair induced formation of 1D coordination polymer","CrystEngComm","2013","15","45","9641","","10.1039/c3ce41054d","","","0.71073","MoKα","","0.1497","0.095","","","0.1733","0.2031","","","","","","1.273","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214559","15.532","0.0005","18.0531","0.0006","18.7587","0.0006","96.715","0.002","94.667","0.002","108.814","0.002","4904.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C158 H215.2 K4 N40 O66 -","- C158 H215.2 K4 N40 O66 -","- C158 H215.2 K4 N40 O66 -","1","0.5","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","A supramolecular dual-host based ion-pair induced formation of 1D coordination polymer","CrystEngComm","2013","15","45","9641","","10.1039/c3ce41054d","","","0.71073","MoKα","","0.178","0.0883","","","0.2153","0.2884","","","","","","1.028","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214560","18.0166","0.0005","18.0166","0.0005","18.6077","0.0005","90","","90","","120","","5230.8","0.2","210","2","210","2","","","","","","","","5","R -3 :H","-R 3","148","","(2-ethoxy-imidazolate-4-amide-5-imidato)-zinc(II) dimethylformamide solvate","","- C8.5 H11.5 N4.5 O3.5 Zn -","- C7 H8 N4 O3 Zn -","- C126 H144 N72 O54 Zn18 -","18","1","","Mondal, Suvendu Sekhar; Dey, Subarna; Baburin, Igor A.; Kelling, Alexandra; Schilde, Uwe; Seifert, Gotthard; Janiak, Christoph; Holdt, Hans-Jürgen","Syntheses of two imidazolate-4-amide-5-imidate linker-based hexagonal metal‒organic frameworks with flexible ethoxy substituent","CrystEngComm","2013","15","45","9394","","10.1039/c3ce41632a","","","0.71073","MoKα","","0.0236","0.0212","","","0.0559","0.0569","","","","","","1.049","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214561","18.6648","0.0014","14.4855","0.0013","20.3605","0.0017","90","","91.374","0.007","90","","5503.3","0.8","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C56 H53 B2 Cu2 F8 N4 O P3 -","- C56 H53 B2 Cu2 F8 N4 O P3 -","- C224 H212 B8 Cu8 F32 N16 O4 P12 -","4","1","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","0.71073","MoKα","","0.1583","0.0591","","","0.0945","0.1114","","","","","","0.799","","","","has coordinates","198636","2020-10-21","18:00:00",""
"7214562","12.6603","0.0006","15.6342","0.0007","17.0355","0.0008","78.234","0.004","68.971","0.004","68.871","0.004","2924.9","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C58 H66 B2 Cu2 F8 N3 O5 P3 -","- C58 H66 B2 Cu2 F8 N3 O5 P3 -","- C116 H132 B4 Cu4 F16 N6 O10 P6 -","2","1","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","0.71073","MoKα","","0.1065","0.0537","","","0.1105","0.12","","","","","","0.945","","","","has coordinates","198636","2020-10-21","18:00:00",""
"7214563","42.216","0.002","17.4513","0.0007","20.096","0.0009","90","","90","","90","","14805.2","1.1","173","2","173","2","","","","","","","","7","C m c a","-C 2ac 2","64","","","","- C66 H56 B2 Cu2 F8 N8 P2 -","- C66 H56 B Cu2 F4 N8 P2 -","- C528 H448 B8 Cu16 F32 N64 P16 -","8","","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","0.71073","MoKα","","0.2079","0.0949","","","0.245","0.2938","","","","","","0.691","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214564","25.4343","0.0005","39.7572","0.0008","17.0847","0.0003","90","","125.4","0.002","90","","14082.1","0.6","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 B2 Cu2 F8 N8 P2 -","- C66 H56 B2 Cu2 F8 N8 P2 -","- C528 H448 B16 Cu16 F64 N64 P16 -","8","1","","Lin, Yu-Mei; Lei, Zhen; Chang, Shan-Shan; Wang, Quan-Ming","Directed formation of tri-connected Cu(i) coordination polymers","CrystEngComm","2013","15","45","9372","","10.1039/c3ce41101j","","","1.54178","CuKα","","0.077","0.0661","","","0.2058","0.2197","","","","","","1.01","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214565","18.3877","0.0007","22.2348","0.0008","13.2146","0.0005","90","","93.58","0.003","90","","5392.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H43 N7 Ni3 O17 -","- C44 H43 N7 Ni3 O17 -","- C176 H172 N28 Ni12 O68 -","4","0.5","","Hou, Duan-Chuan; Jiang, Gui-Yuan; Fu, Hong-Ru; Zhao, Zhen; Zhang, Jian","A microporous nickel‒organic framework with an unusual 10-connected bct net and high capacity for CO2, H2 and hydrocarbons","CrystEngComm","2013","15","45","9499","","10.1039/c3ce40548f","","","0.71073","MoKα","","0.11","0.0759","","","0.2259","0.239","","","","","","1.424","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214566","10.4873","0.0015","13.908","0.002","17.158","0.003","67.376","0.005","89.533","0.005","81.192","0.005","2279.3","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H49 Cl Cu2 N4 O14 -","- C48 H49 Cl Cu2 N4 O14 -","- C96 H98 Cl2 Cu4 N8 O28 -","2","1","","Jana, Arpita; Weyhermüller, Thomas; Mohanta, Sasankasekhar","Metal complex analogues of crown ethers as the preorganized motif to stabilize aquated proton in solid state","CrystEngComm","2013","15","20","4099","","10.1039/c3ce27075k","","","0.71073","MoKα","","0.0849","0.0444","","","0.0911","0.1098","","","","","","1.009","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214567","10.973","0.002","14.052","0.003","17.507","0.004","111.32","0.002","95.487","0.002","103.616","0.003","2394.6","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H61 Cl Cu2 N4 O14 -","- C48 H61 Cl Cu2 N4 O14 -","- C96 H122 Cl2 Cu4 N8 O28 -","2","1","","Jana, Arpita; Weyhermüller, Thomas; Mohanta, Sasankasekhar","Metal complex analogues of crown ethers as the preorganized motif to stabilize aquated proton in solid state","CrystEngComm","2013","15","20","4099","","10.1039/c3ce27075k","","","0.71073","MoKα","","0.1031","0.0533","","","0.123","0.1476","","","","","","1.01","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214568","13.8039","0.0007","44.74","0.002","15.9315","0.0007","90","","120.633","0.003","90","","8466","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H98 Cl2 Cu4 N8 O28 -","- C80 H98 Cl2 Cu4 N8 O28 -","- C320 H392 Cl8 Cu16 N32 O112 -","4","1","","Jana, Arpita; Weyhermüller, Thomas; Mohanta, Sasankasekhar","Metal complex analogues of crown ethers as the preorganized motif to stabilize aquated proton in solid state","CrystEngComm","2013","15","20","4099","","10.1039/c3ce27075k","","","0.71073","MoKα","","0.0962","0.0513","","","0.1115","0.1282","","","","","","1.045","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214569","16.063","0.0008","16.485","0.0009","19.025","0.0008","90","","90","","90","","5037.8","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C42 H24 I2 In4 N6 O27 -","- C42 H18 I2 In4 N6 O27 -","- C168 H72 I8 In16 N24 O108 -","4","0.5","","He, Yuan-Chun; Kan, Wei-Qiu; Guo, Jiao; Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","Iodine-templated assembly of an In(iii) complex with a single-crystal-to-single-crystal transition","CrystEngComm","2013","15","37","7406","","10.1039/c3ce41337c","","","0.71069","MoKα","","0.0863","0.069","","","0.1732","0.1868","","","","","","1.082","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214570","7.9561","0.0001","7.9561","0.0001","8.2785","0.0003","90","","90","","90","","524.03","0.02","296","0.2","296","0.2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.125","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.71073","MoKα","","0.0739","0.0286","","","0.0535","0.059","","","","","","0.821","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214571","7.9005","0.0011","7.9005","0.0011","8.1982","0.0016","90","","90","","90","","511.71","0.14","120","0.2","120","0.2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.25","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.71073","MoKα","","0.0322","0.0175","","","0.0469","0.0483","","","","","","1.02","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7214572","7.994","0.0011","7.994","0.0011","8.275","0.0017","90","","90","","90","","528.81","0.15","293","2","293","2","","","","","","","","5","P 42/m n m","-P 4n 2n","136","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.125","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.8292","neutron","","0.0656","0.0337","","","0.076","0.0865","","","","","","1.001","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214573","7.869","0.0011","7.869","0.0011","8.248","0.0016","90","","90","","90","","510.73","0.14","20","2","20","2","","","","","","","","5","P -4 21 m","P -4 2ab","113","","diammonium tetrabromocuprate dihydrate","","- Br4 Cu H12 N2 O2 -","- Br4 Cu H12 N2 O2 -","- Br8 Cu2 H24 N4 O4 -","2","0.25","","Małuszyńska, Hanna; Tylczyński, Zbigniew; Cousson, Alain","Ferroelastoelectric ordering in (NH4)2CuBr4·2H2O single crystal","CrystEngComm","2013","15","37","7498","","10.1039/c3ce41113c","","","0.832","neutron","","0.0554","0.0416","","","0.0857","0.0935","","","","","","1.07","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7214574","11.2134","0.0006","7.7976","0.0004","16.128","0.0007","90","","103.26","0.005","90","","1372.6","0.12","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfacetamide-acetamide","Sulfacetamide-acetamide 1:1","","- C10 H15 N3 O4 S -","- C10 H15 N3 O4 S -","- C40 H60 N12 O16 S4 -","4","1","","Goud, N. Rajesh; Nangia, Ashwini","Synthon polymorphs of sulfacetamide‒acetamide cocrystal based on N‒H⋯OS and N‒H⋯OC hydrogen bonding","CrystEngComm","2013","15","37","7456","","10.1039/c3ce41179f","","","0.71073","MoKα","","0.0806","0.0511","","","0.1111","0.1287","","","","","","1.017","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214575","22.2392","0.0016","8.4705","0.0004","14.771","0.0011","90","","107.056","0.008","90","","2660.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Sulfacetamide-acetamide","Sulfacetamide-acetamide 1:1","","- C10 H15 N3 O4 S -","- C10 H15 N3 O4 S -","- C80 H120 N24 O32 S8 -","8","1","","Goud, N. Rajesh; Nangia, Ashwini","Synthon polymorphs of sulfacetamide‒acetamide cocrystal based on N‒H⋯OS and N‒H⋯OC hydrogen bonding","CrystEngComm","2013","15","37","7456","","10.1039/c3ce41179f","","","0.71073","MoKα","","0.0633","0.0462","","","0.1079","0.1203","","","","","","1.048","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214576","18.928","0.005","14.293","0.005","15.24","0.005","90","","108.95","0.005","90","","3900","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H80 Cl10 Co4 N16 O6 P2 -","- C56 H80 Cl10 Co4 N16 O6 P2 -","- C112 H160 Cl20 Co8 N32 O12 P4 -","2","0.25","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71069","MoKα","","0.0637","0.0487","","","0.1174","0.1295","","","","","","1.021","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214577","18.985","0.005","14.238","0.005","15.264","0.005","90","","109.48","0.005","90","","3890","2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C56 H80 Cl10 N16 O6 P2 Zn4 -","- C56 H80 Cl10 N16 O6 P2 Zn4 -","- C112 H160 Cl20 N32 O12 P4 Zn8 -","2","0.25","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71073","MoKα","","0.0269","0.0248","","","0.0622","0.0634","","","","","","1.092","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214578","12.271","0.005","13.575","0.005","14.049","0.005","87.852","0.005","70.724","0.005","71.366","0.005","2087.2","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 Cl8 Co2 N6 O6 P2 -","- C24 H48 Cl8 Co2 N6 O6 P2 -","- C48 H96 Cl16 Co4 N12 O12 P4 -","2","1","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71069","MoKα","","0.0503","0.0421","","","0.0965","0.0999","","","","","","1.068","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214579","12.267","0.005","13.569","0.005","14.029","0.005","87.78","0.005","70.635","0.005","71.328","0.005","2081.1","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 Cl8 N6 O6 P2 Zn2 -","- C24 H48 Cl8 N6 O6 P2 Zn2 -","- C48 H96 Cl16 N12 O12 P4 Zn4 -","2","1","","Chandrasekhar, Vadapalli; Sahoo, Dipankar; Metre, Ramesh K.","Isomorphic Co(ii) and Zn(ii) phosphonates: co-crystal formation of [{M2(η1-DMPzH)4(Cl3CPO3)2}{M(η1-DMPzH)2Cl2}2](toluene)2 (M = Co(ii) and Zn(ii))","CrystEngComm","2013","15","37","7419","","10.1039/c3ce40997j","","","0.71069","MoKα","","0.0325","0.0262","","","0.062","0.0646","","","","","","1.058","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214580","8.5377","0.0011","13.1086","0.0017","14.4617","0.0018","90","","90","","90","","1618.5","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 N2 Ni O2 S2 Se -","- C10 H16 Cl2 N2 Ni O2 S2 Se -","- C40 H64 Cl8 N8 Ni4 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0372","0.029","","","0.0496","0.0524","","","","","","0.901","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214581","8.5078","0.0008","13.3811","0.0012","14.3894","0.0013","90","","90","","90","","1638.1","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 Co N2 O2 S2 Se -","- C10 H16 Cl2 Co N2 O2 S2 Se -","- C40 H64 Cl8 Co4 N8 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0264","0.0206","","","0.0369","0.038","","","","","","0.985","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214582","8.481","0.0006","13.4884","0.0009","14.3386","0.0011","90","","90","","90","","1640.3","0.2","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C10 H16 Cl2 Fe N2 O2 S2 Se -","- C10 H16 Cl2 Fe N2 O2 S2 Se -","- C40 H64 Cl8 Fe4 N8 O8 S8 Se4 -","4","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0431","0.0366","","","0.0732","0.0761","","","","","","1.033","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214583","3.7767","0.0017","9.284","0.004","10.824","0.005","78.814","0.007","82.416","0.008","82.514","0.007","366.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H4 Cd0.5 Cl N2 Se -","- C6 H4 Cd0.5 Cl N2 Se -","- C12 H8 Cd Cl2 N4 Se2 -","2","1","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.1061","0.06","","","0.1273","0.1481","","","","","","0.973","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214584","3.7203","0.001","9.278","0.002","10.769","0.003","80.055","0.004","81.254","0.004","83.353","0.004","360.34","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Cl2 Mn N4 Se2 -","- C12 H8 Cl2 Mn N4 Se2 -","- C12 H8 Cl2 Mn N4 Se2 -","1","0.5","","Lee, Lucia Myongwon; Elder, Philip J. W.; Dube, Paul A.; Greedan, John E.; Jenkins, Hilary A.; Britten, James F.; Vargas-Baca, Ignacio","The size of the metal ion controls the structures of the coordination polymers of benzo-2,1,3-selenadiazole","CrystEngComm","2013","15","37","7434","","10.1039/c3ce40752g","","","0.71073","MoKα","","0.0311","0.0254","","","0.0595","0.0618","","","","","","1.086","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7214585","24.46","0.004","9.9842","0.0014","23.479","0.003","90","","110.705","0.003","90","","5363.6","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H42 Mn2 N8 O11 -","- C65 H42 Mn2 N8 O11 -","- C260 H168 Mn8 N32 O44 -","4","0.5","","Yang, Li-Rong; Zhang, Huai-Min; You, Qian-qian; Wu, Lan-Zhi; Liu, Liu; Song, Shuang","Coordination polymers based on 3,3′,4,4′-benzophenone-tetracarboxylate and N-containing pillars: syntheses, structure, characterization and properties","CrystEngComm","2013","15","37","7505","","10.1039/c3ce40456k","","","0.71073","MoKα","","0.0602","0.0441","","","0.1279","0.1355","","","","","","1.073","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214586","11.0612","0.0016","15.0262","0.0017","16.7833","0.0016","90","","95.491","0.001","90","","2776.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H15 N2 O10 Zn2 -","- C27 H15 N2 O10 Zn2 -","- C108 H60 N8 O40 Zn8 -","4","1","","Yang, Li-Rong; Zhang, Huai-Min; You, Qian-qian; Wu, Lan-Zhi; Liu, Liu; Song, Shuang","Coordination polymers based on 3,3′,4,4′-benzophenone-tetracarboxylate and N-containing pillars: syntheses, structure, characterization and properties","CrystEngComm","2013","15","37","7505","","10.1039/c3ce40456k","","","0.71073","MoKα","","0.0397","0.0317","","","0.0816","0.0846","","","","","","1.039","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214587","11.0632","0.0006","15.0159","0.0008","16.7772","0.0009","90","","95.394","0.001","90","","2774.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H20 N3 O10 Zn2 -","- C32 H20 N3 O10 Zn2 -","- C128 H80 N12 O40 Zn8 -","4","1","","Yang, Li-Rong; Zhang, Huai-Min; You, Qian-qian; Wu, Lan-Zhi; Liu, Liu; Song, Shuang","Coordination polymers based on 3,3′,4,4′-benzophenone-tetracarboxylate and N-containing pillars: syntheses, structure, characterization and properties","CrystEngComm","2013","15","37","7505","","10.1039/c3ce40456k","","","0.71073","MoKα","","0.0378","0.0312","","","0.0862","0.0887","","","","","","1.078","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214588","8.373","0.0001","9.072","0.0002","12.65","0.0003","95.47","0.001","96.202","0.001","110.315","0.001","886.71","0.03","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C23.5 H20 O3 -","- C23.5 H20 O3 -","- C47 H40 O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.0422","0.036","","","0.0934","0.0967","","","","","","1.07","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214589","8.3498","0.0002","9.0863","0.0002","12.6308","0.0003","95.767","0.001","96.368","0.001","110.027","0.002","884.89","0.04","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18.5 Cl0.5 O3 -","- C23 H18.5 Cl0.5 O3 -","- C46 H37 Cl O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.0501","0.0378","","","0.0893","0.0957","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7214590","8.367","0.0003","9.1032","0.0003","12.6727","0.0005","95.847","0.001","96.491","0.001","110.005","0.002","890.91","0.06","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H18.5 Cl0.5 O3 -","- C23 H16 Cl0.5 O3 -","- C46 H32 Cl O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.0961","0.0456","","","0.1035","0.1211","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214591","8.3704","0.0003","9.0991","0.0004","12.6749","0.0006","95.811","0.001","96.459","0.001","110.021","0.003","891.11","0.07","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C23.09 H18.78 Cl0.41 O3 -","- C23.1 H16 Cl0.4 O3 -","- C46.2 H32 Cl0.8 O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.1128","0.0504","","","0.1124","0.1328","","","","","","1.024","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214592","8.3923","0.0003","9.0879","0.0004","12.7002","0.0007","95.557","0.002","96.234","0.002","110.261","0.003","893.88","0.07","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C23.5 H20 O3 -","- C23.5 H16 O3 -","- C47 H32 O6 -","2","1","","Nassimbeni, Luigi R.; Su, Hong","How to monitor guest exchange in host‒guest systems","CrystEngComm","2013","15","37","7396","","10.1039/c3ce40675j","","","0.71073","MoKα","","0.1452","0.0495","","","0.0951","0.1184","","","","","","0.918","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214593","10.825","0.003","28.608","0.002","24.372","0.0012","90","","93.639","0.005","90","","7532","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H83 Co6 N7 O33 -","- C40 H26 Co6 O26 -","- C160 H104 Co24 O104 -","4","1","","Wang, Hai-Ning; Liu, Fu-Hong; Zhu, Yan-Fei; Wang, Xin-Long; Chen, Zhi-Hui; Su, Zhong-Min","Synthesis and property investigation of two hexa-cobalt cluster based porous coordination polymers","CrystEngComm","2013","15","37","7402","","10.1039/c3ce41044g","","","0.71069","MoKα","","0.1382","0.1243","","","0.3321","0.3492","","","","","","1.142","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214594","10.806","0.003","28.554","0.0014","24.329","0.0015","90","","93.658","0.005","90","","7492","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H83 Co6 N7 O33 -","- C40 H20 Co6 O26 -","- C160 H80 Co24 O104 -","4","1","","Wang, Hai-Ning; Liu, Fu-Hong; Zhu, Yan-Fei; Wang, Xin-Long; Chen, Zhi-Hui; Su, Zhong-Min","Synthesis and property investigation of two hexa-cobalt cluster based porous coordination polymers","CrystEngComm","2013","15","37","7402","","10.1039/c3ce41044g","","","0.71069","MoKα","","0.1497","0.1299","","","0.3308","0.3457","","","","","","1.289","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214595","28.764","0.004","21.682","0.003","10.933","0.0014","90","","90","","90","","6818.5","1.6","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C29 H34 Co3 N3 O15 -","- C23 H20 Co3 N O13 -","- C184 H160 Co24 N8 O104 -","8","1","","Wang, Hai-Ning; Liu, Fu-Hong; Zhu, Yan-Fei; Wang, Xin-Long; Chen, Zhi-Hui; Su, Zhong-Min","Synthesis and property investigation of two hexa-cobalt cluster based porous coordination polymers","CrystEngComm","2013","15","37","7402","","10.1039/c3ce41044g","","","0.71069","MoKα","","0.0794","0.047","","","0.0995","0.1081","","","","","","1.036","","","","has coordinates,has disorder","180476","2020-10-21","18:00:00",""
"7214596","6.47","0.0006","10.5728","0.0009","11.0821","0.0009","76.8","0.007","84.592","0.007","73.686","0.008","707.97","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 N2 Ni S4 -","- C30 H28 N2 Ni S4 -","- C30 H28 N2 Ni S4 -","1","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1087","0.063","","","0.1369","0.1504","","","","","","0.996","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214597","6.545","0.002","10.393","0.004","11.114","0.005","75.24","0.04","74.79","0.03","78.01","0.03","697.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N4 Ni S4 -","- C24 H34 N4 Ni S4 -","- C24 H34 N4 Ni S4 -","1","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.227","0.1048","","","0.2105","0.277","","","","","","0.917","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214598","14.0619","0.0007","14.3634","0.0006","19.3287","0.001","90","","91.009","0.005","90","","3903.3","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 Cl2 N4 Ni O4 S6 -","- C30 H48 Cl2 N4 Ni O4 S6 -","- C120 H192 Cl8 N16 Ni4 O16 S24 -","4","1","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1384","0.0698","","","0.1499","0.1895","","","","","","0.916","","","","has coordinates","180476","2020-10-21","18:00:00",""
"7214599","7.9767","0.0008","19.507","0.002","15.317","0.002","90","","91.905","0.009","90","","2382","0.5","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H64 Cl2 N4 Ni O4 S6 -","- C38 H64 Cl2 N4 Ni O4 S6 -","- C76 H128 Cl4 N8 Ni2 O8 S12 -","2","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1596","0.0735","","","0.1116","0.1452","","","","","","0.959","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214600","15.7634","0.0014","9.4746","0.0009","24.016","0.004","90","","97.142","0.009","90","","3559","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C62 H112 Cl2 N4 Ni O4 S6 -","- C62 H112 Cl2 N4 Ni O4 S6 -","- C124 H224 Cl4 N8 Ni2 O8 S12 -","2","0.5","","Singh, Santosh K.; Drew, Michael G. B.; Singh, Nanhai","Self assembly of homoleptic Ni(ii) dithiocarbamates and dithiocarbimates via Ni⋯H‒C anagostic and C‒H⋯π (chelate) interactions","CrystEngComm","2013","15","47","10255","","10.1039/c3ce41358f","","","0.71073","MoKα","","0.1854","0.0828","","","0.154","0.1999","","","","","","0.898","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214601","7.117","0.007","10.007","0.008","16.788","0.016","73.45","0.04","85.81","0.04","74.91","0.04","1106.6","1.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","2","","Shida, Toshihide; Mutai, Toshiki; Araki, Koji","Sterically induced polymorphism: ON‒OFF control of excited-state intramolecular proton transfer (ESIPT) luminescence of 1-methyl-2-(2′-hydroxyphenyl)benzimidazole","CrystEngComm","2013","15","47","10179","","10.1039/c3ce41742e","","","0.71075","MoKα","","0.138","0.1009","","","0.273","0.2949","","","","","","1.08","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214602","7.516","0.001","15.318","0.001","11.199","0.001","90","","114.615","0.002","90","","1172.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Shida, Toshihide; Mutai, Toshiki; Araki, Koji","Sterically induced polymorphism: ON‒OFF control of excited-state intramolecular proton transfer (ESIPT) luminescence of 1-methyl-2-(2′-hydroxyphenyl)benzimidazole","CrystEngComm","2013","15","47","10179","","10.1039/c3ce41742e","","","1.54184","CuKα","","0.0661","0.0607","","","0.152","0.1581","","","","","","1.093","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214603","21.216","0.001","21.216","","17.221","0.001","90","","90","","120","","6713","0.5","298","2","298","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C17 H18 N2 O -","- C17 H18 N2 O -","- C306 H324 N36 O18 -","18","1","","Shida, Toshihide; Mutai, Toshiki; Araki, Koji","Sterically induced polymorphism: ON‒OFF control of excited-state intramolecular proton transfer (ESIPT) luminescence of 1-methyl-2-(2′-hydroxyphenyl)benzimidazole","CrystEngComm","2013","15","47","10179","","10.1039/c3ce41742e","","","1.54184","CuKα","","0.0687","0.0624","","","0.1459","0.1504","","","","","","1.106","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214604","14.9927","0.0004","24.6112","0.0005","30.667","0.0006","90","","90","","90","","11315.8","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[[{Mn(C6N4H18)(C6N4H20)}{Mn(C6N4H18)}4V15Ge6O48(0.5H2O)]*(C6N4H18)*2H2O","","","- C36 H115 Ge6 Mn5 N24 O50.5 V15 -","- C36 H110 Ge6 Mn5 N24 O50.5 V15 -","- C144 H440 Ge24 Mn20 N96 O202 V60 -","4","1","","Wang, Jing; Näther, Christian; Speldrich, Manfred; Kögerler, Paul; Bensch, Wolfgang","Chain and layer networks of germanato-polyoxovanadates","CrystEngComm","2013","15","47","10238","","10.1039/c3ce41512k","","","0.71073","MoKα","","0.0794","0.0667","","","0.1427","0.1493","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214605","26.9906","0.0004","14.7778","0.0003","24.9887","0.0004","90","","91.573","0.001","90","","9963.3","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H118 Ge6 N24 Ni4 O51 V15 -","- C36 H104 Ge6 N24 Ni4 O51 V15 -","- C144 H416 Ge24 N96 Ni16 O204 V60 -","4","0.5","","Wang, Jing; Näther, Christian; Speldrich, Manfred; Kögerler, Paul; Bensch, Wolfgang","Chain and layer networks of germanato-polyoxovanadates","CrystEngComm","2013","15","47","10238","","10.1039/c3ce41512k","","","0.71073","MoKα","","0.0619","0.0566","","","0.1387","0.1425","","","","","","1.115","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214606","12.418","0.003","16.869","0.003","20.201","0.004","101.395","0.004","101.351","0.004","96.407","0.004","4017","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C138 H160 Cl10 N32 O20 Pd5 -","- C138 H160 Cl10 N32 O20 Pd5 -","- C138 H160 Cl10 N32 O20 Pd5 -","1","0.5","","Ma, Chunhua; Wang, Jintao; Zhao, Lin; Shi, Yueqin; Luo, Wenping; Yan, Yawkai; Fang, Min; Wang, Xiujian; Liu, Hong-Ke","(M3L4 + M2L4): a unique example of a co-crystal containing M3L4 and M2L4 metallocages","CrystEngComm","2013","15","47","10311","","10.1039/c3ce40928g","","","0.71073","MoKα","","0.155","0.0724","","","0.1932","0.249","","","","","","0.935","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214607","12.5497","0.0012","21.783","0.002","17.7472","0.0016","90","","97.507","0.002","90","","4810","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C192 H Mn12 N8 O88 -","- C192 H168 Mn12 N8 O88 -","- C192 H168 Mn12 N8 O88 -","1","0.25","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.2123","0.0692","","","0.1491","0.2293","","","","","","1.002","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214608","5.8403","0.0007","13.6345","0.0015","13.9084","0.0016","109.15","0.002","98.89","0.002","99.218","0.002","1006.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H34 Mn O20 -","- C42 H34 Mn O20 -","- C42 H34 Mn O20 -","1","0.5","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0899","0.048","","","0.1173","0.171","","","","","","1.002","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214609","16.579","","9.446","","27.37","","90","","102.71","","90","","4181.25","","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C84 H76 Mn6 O48 -","- C84 H76 Mn6 O46 -","- C168 H152 Mn12 O92 -","2","0.25","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0718","0.05","","","0.1356","0.1571","","","","","","1.001","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214610","13.134","0.003","13.102","0.003","25.336","0.005","90","","93.935","0.004","90","","4349.6","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 Mn2.5 O18 -","- C43 H28 Mn2.5 O18 -","- C172 H112 Mn10 O72 -","4","1","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0708","0.0708","","","0.2185","0.2185","","","","","","1.021","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214611","17.438","","11.119","","18.114","","90","","115.64","","90","","3166.34","","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 Mn1.5 N2 O13 -","- C29 H31 Mn1.5 N2 O13 -","- C116 H124 Mn6 N8 O52 -","4","1","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.0756","0.0635","","","0.2192","0.2399","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7214612","27.565","0.003","21.395","0.003","9.3865","0.001","90","","106.317","0.003","90","","5312.8","1.1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C192 H Mn12 N8 O80 -","- C192 H160 Mn12 N8 O80 -","- C192 H160 Mn12 N8 O80 -","1","0.125","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.1251","0.0583","","","0.1325","0.1462","","","","","","0.998","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214613","27.579","","21.701","","9.515","","90","","106.34","","90","","5464.64","","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H44 Mn3 N2 O20 -","- C50 H44 Mn3 N2 O20 -","- C200 H176 Mn12 N8 O80 -","4","0.5","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.1665","0.0842","","","0.241","0.2986","","","","","","1.003","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214614","27.752","0.004","21.889","0.003","9.5237","0.0013","90","","107.685","0.003","90","","5511.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C208 H Mn12 N8 O80 -","- C208 H176 Mn12 N8 O80 -","- C208 H176 Mn12 N8 O80 -","1","0.125","","Huang, Wen-Huan; Luan, Xin-Jun; Zhou, Xiang; Chen, Jun; Wang, Yao-Yu; Shi, Qi-Zhen","The influence of ligand configuration, solvent size and solvent polarity on the porous shape and void volume in a series of isomeric or isomorphic porous MOFs","CrystEngComm","2013","15","47","10389","","10.1039/c3ce41801d","","","0.71073","MoKα","","0.1209","0.0616","","","0.134","0.1484","","","","","","1.002","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214615","21.701","0.004","23.071","0.005","23.286","0.005","63.91","0.03","68.86","0.03","64.94","0.03","9264","4","258","2","258","2","","","","","","","","5","P 1","P 1","1","","","","- C296 H374 N16 O95 Zn16 -","- C296 H366 N16 O95 Zn16 -","- C296 H366 N16 O95 Zn16 -","1","1","","Li, Qiaowei; Shin, Sung Min; Moon, Dohyun; Jeong, Kyung Seok; Jeong, Nakcheol","Chiral porous metal‒organic frameworks from chiral building units with different metrics","CrystEngComm","2013","15","47","10161","","10.1039/c3ce41586d","","","1.54178","CuKα","","0.0598","0.0542","","","0.1388","0.1439","","","","","","1","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214616","22.945","0.005","31.803","0.006","32.955","0.007","90","","90","","90","","24048","9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C200 H188 N4 O42 Zn8 -","- C200 H188 N4 O42 Zn8 -","- C800 H752 N16 O168 Zn32 -","4","1","","Li, Qiaowei; Shin, Sung Min; Moon, Dohyun; Jeong, Kyung Seok; Jeong, Nakcheol","Chiral porous metal‒organic frameworks from chiral building units with different metrics","CrystEngComm","2013","15","47","10161","","10.1039/c3ce41586d","","","0.9","synchrotron","","0.1115","0.0788","","","0.1906","0.2107","","","","","","0.993","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7214617","5.159","0.003","18.175","0.006","12.684","0.004","90","","93.77","0.03","90","","1186.7","0.9","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","R-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","<i>R</i>-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","2","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1255","0.0695","","","0.1523","0.1791","","","","","","1.033","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214618","9.586","0.003","10.369","0.005","12.306","0.008","90","","90","","90","","1223.2","1.1","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","rac-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","rac-N'-3-methylcyclopentylidene-4-hydroxy benzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1442","0.0701","","","0.1347","0.1613","","","","","","1.044","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214619","5.19","0.003","18.133","0.006","12.562","0.004","90","","93.79","0.03","90","","1179.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rac-N'-3-methylcyclopentylidene-4-hydroxybenzohydrazide","rac-N'-3-methylcyclopentylidene-4- hydroxybenzohydrazide","","- C13 H16 N2 O2 -","- C13 H16 N2 O2 -","- C52 H64 N8 O8 -","4","1","","Centore, Roberto; Fusco, Sandra; Jazbinsek, Mojca; Capobianco, Amedeo; Peluso, Andrea","Polar crystals in imines of 4-hydroxybenzohydrazide: a comparison between racemic and enantiomorphic crystals","CrystEngComm","2013","15","17","3318","","10.1039/c3ce00005b","","x-ray","0.71073","MoKα","","0.1463","0.077","","","0.1366","0.1604","","","","","","1.107","","","","has coordinates,has disorder","180477","2020-10-21","18:00:00",""
"7214620","11.144","0.0002","11.45","0.0002","14.8721","0.0003","90","","92.6884","0.0011","90","","1895.57","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","2-((2,6-dimethylphenyl)amino)-N,N-dimethyl-2-oxoethanaminium 2,4,6-trioxohexahydropyrimidin-5-ide","2-[(2,6-dimethylphenyl)amino]-N,N-dimethyl-2-oxoethanaminium 2,4,6-trioxohexahydropyrimidin-5-ide","","- C18 H26 N4 O4 -","- C18 H26 N4 O4 -","- C72 H104 N16 O16 -","4","2","","Gryl, Marlena; Kozieł, Marcin; Stadnicka, Katarzyna; Matulková, Irena; Němec, Ivan; Tesařová, Naďa; Němec, Petr","Lidocaine barbiturate: a promising material for second harmonic generation","CrystEngComm","2013","15","17","3275","","10.1039/c3ce00059a","","","0.71073","MoKα","","0.0407","0.0373","","","0.0894","0.0908","","","","","","1.141","","","","has coordinates","180477","2020-10-21","18:00:00",""
"7215129","8.998","0.012","9.624","0.013","13.044","0.018","94.09","0.03","106.38","0.03","91.93","0.03","1079","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F N3 O7 -","- C24 H24 F N3 O7 -","- C48 H48 F2 N6 O14 -","2","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.0693","0.0549","","","0.1769","0.2131","","","","","","1.087","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215130","13.994","0.0017","13.6288","0.0018","22.537","0.003","90","","90","","90","","4298.3","1","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 F N3 O7 -","- C24 H24 F N3 O7 -","- C192 H192 F8 N24 O56 -","8","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.1252","0.0592","","","0.1332","0.1709","","","","","","0.995","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215131","9.8768","0.0019","10.2489","0.0019","13.674","0.003","89.319","0.004","74.752","0.004","71.679","0.004","1264","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 F N3 O9 -","- C28 H27 F N3 O9 -","- C56 H54 F2 N6 O18 -","2","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.0801","0.0585","","","0.1782","0.23","","","","","","1.079","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215132","9.567","0.0008","8.1152","0.0006","30.906","0.003","90","","92.476","0.002","90","","2397.2","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 F N4 O8 -","- C24 H27 F N4 O8 -","- C96 H108 F4 N16 O32 -","4","1","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.063","0.0472","","","0.1507","0.1659","","","","","","1.102","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215133","9.964","0.003","14.76","0.004","18.275","0.005","90","","90.283","0.005","90","","2687.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H64 F2 N8 O21 -","- C48 H64 F2 N8 O21 -","- C96 H128 F4 N16 O42 -","2","0.5","","Huang, Xian-Feng; Zhang, Zhi-Hui; Zhang, Qing-Qing; Wang, Ling-Zhu; He, Ming-Yang; Chen, Qun; Song, Guo-Qiang; Wei, Lin; Wang, Fan; Du, Miao","Norfloxacin salts with benzenedicarboxylic acids: charge-assisted hydrogen-bonding recognition and solubility regulation","CrystEngComm","2013","15","30","6090","","10.1039/c3ce40567b","","","0.71073","MoKα","","0.0952","0.0797","","","0.2345","0.2475","","","","","","1.039","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215134","13.2068","0.0019","13.2068","0.0019","14.76","0.003","90","","90","","120","","2229.5","0.6","153","2","153","2","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- B45 K21 O90 Yb8 -","- B45 K21 O90 Yb8.031 -","- B45 K21 O90 Yb8.031 -","1","0.0555556","","Feng, Kai; Yin, Wenlong; Hao, Wenyu; Yao, Jiyong; Wu, Yicheng","A novel UV nonlinear optical crystal material: K21Yb8B45O90","CrystEngComm","2013","15","25","5064","","10.1039/c3ce40545a","","","0.71073","MoKα","","0.0191","0.0173","","","0.0412","0.0415","","","","","","0.953","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215135","14.5329","0.0007","13.9697","0.0007","25.1208","0.0018","90","","97.713","0.007","90","","5053.9","0.5","200","","200","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C60 H116 Cl4 N O44 Ru4 V10 -","- C60 H116 Cl4 N O44 Ru4 V10 -","- C120 H232 Cl8 N2 O88 Ru8 V20 -","2","0.5","","Hashikawa, Akihiro; Sawada, Yuki; Yamamoto, Yuma; Nishio, Masaki; Kosaka, Wataru; Hayashi, Yoshihito; Miyasaka, Hitoshi","Polyoxometalate-based frameworks with a linker of paddlewheel diruthenium(ii, iii) complexes","CrystEngComm","2013","15","24","4852","","10.1039/c3ce40426a","","","0.6988","","","","0.0708","","","","0.199","","","","","","0.864","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215136","39.7827","0.001","13.3368","0.0003","12.0345","0.0002","90","","90","","90","","6385.2","0.2","93","","93","","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C39 H78 Cl4 Mo6 N O27 Ru2 -","- C39 H18 Cl4 Mo6 N O27 Ru2 -","- C156 H72 Cl16 Mo24 N4 O108 Ru8 -","4","0.5","","Hashikawa, Akihiro; Sawada, Yuki; Yamamoto, Yuma; Nishio, Masaki; Kosaka, Wataru; Hayashi, Yoshihito; Miyasaka, Hitoshi","Polyoxometalate-based frameworks with a linker of paddlewheel diruthenium(ii, iii) complexes","CrystEngComm","2013","15","24","4852","","10.1039/c3ce40426a","","","0.71075","MoKα","","","0.0415","","","","0.108","","","","","","1.057","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215137","37.856","0.005","14.1562","0.0015","28.44","0.004","90","","131.399","0.002","90","","11433","3","113","","113","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C68 H132 Cl4 Mo12 N O56 P Ru4 -","- C68 H132 Cl4 Mo12 N O56 P Ru4 -","- C272 H528 Cl16 Mo48 N4 O224 P4 Ru16 -","4","0.5","","Hashikawa, Akihiro; Sawada, Yuki; Yamamoto, Yuma; Nishio, Masaki; Kosaka, Wataru; Hayashi, Yoshihito; Miyasaka, Hitoshi","Polyoxometalate-based frameworks with a linker of paddlewheel diruthenium(ii, iii) complexes","CrystEngComm","2013","15","24","4852","","10.1039/c3ce40426a","","","0.7107","MoKα","","","0.0814","","","","0.1874","","","","","","1.106","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215138","4.2457","0.0004","4.2457","0.0004","17.449","0.003","90","","90","","120","","272.4","0.06","744","2","744","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0008 Sb1.9992 Te5 -","- Ge2.0008 Sb1.9992 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0621","0.0348","","","0.0373","0.0396","","","","1.69","1.69","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215139","4.2418","0.0004","4.2418","0.0004","17.445","0.004","90","","90","","120","","271.83","0.07","692","2","692","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0006 Sb1.9994 Te5 -","- Ge2.0006 Sb1.9994 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0582","0.0353","","","0.0373","0.039","","","","1.65","1.65","1.32","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215140","4.2257","0.0002","4.2257","0.0002","17.281","0.002","90","","90","","120","","267.24","0.04","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","","0.56085","AgKα","","0.0558","0.035","","","0.0399","0.0417","","","","1.91","1.91","1.63","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215141","4.2257","0.0002","4.2257","0.0002","17.2809","0.0018","90","","90","","120","","267.24","0.03","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge1.876 Sb2.039 Te5 -","- Ge1.86 Sb2.04 Te5 -","- Ge1.86 Sb2.04 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0371","0.0275","","","0.0324","0.0334","","","","1.43","1.43","1.28","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215142","4.2374","0.0002","4.2374","0.0002","17.3459","0.0018","90","","90","","120","","269.73","0.03","486","2","486","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge1.999 Sb2.001 Te5 -","- Ge1.999 Sb2.001 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0446","0.0298","","","0.0346","0.0359","","","","1.55","1.55","1.31","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215143","4.2434","0.0003","4.2434","0.0003","17.389","0.002","90","","90","","120","","271.16","0.04","589","2","589","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","germanium antimony telluride","","","- Ge2 Sb2 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","- Ge2.0002 Sb1.9998 Te5 -","1","0.0833333","","Urban, Philipp; Schneider, Matthias N.; Erra, Loredana; Welzmiller, Simon; Fahrnbauer, Felix; Oeckler, Oliver","Temperature dependent resonant X-ray diffraction of single-crystalline Ge2Sb2Te5","CrystEngComm","2013","15","24","4823","","10.1039/c3ce26956f","","x-ray","0.40681","synchrotron","","0.0567","0.036","","","0.0383","0.0401","","","","1.7","1.7","1.37","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215144","10.7437","0.0014","11.9023","0.0015","12.0615","0.0016","90.789","0.002","108.826","0.002","110.71","0.002","1351.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H14 Br4 Cd N6 O5 -","- C23 H14 Br4 Cd N6 O5 -","- C46 H28 Br8 Cd2 N12 O10 -","2","1","","Wang, Lei; Yan, Zhi-Hao; Xiao, Zhenyu; Guo, Dong; Wang, Wenqiang; Yang, Yu","Reactant ratio-modulated entangled Cd(ii) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration","CrystEngComm","2013","15","27","5552","","10.1039/c3ce40273h","","","0.71073","MoKα","","0.0483","0.0332","","","0.0697","0.0756","","","","","","1.003","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215145","12.5908","0.0013","12.7757","0.0014","13.737","0.0015","86.559","0.002","80.567","0.002","72.878","0.002","2083","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 Br8 Cd N6 O10 -","- C33 H22 Br8 Cd N6 O10 -","- C66 H44 Br16 Cd2 N12 O20 -","2","1","","Wang, Lei; Yan, Zhi-Hao; Xiao, Zhenyu; Guo, Dong; Wang, Wenqiang; Yang, Yu","Reactant ratio-modulated entangled Cd(ii) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration","CrystEngComm","2013","15","27","5552","","10.1039/c3ce40273h","","","0.71073","MoKα","","0.0674","0.0382","","","0.0791","0.0889","","","","","","0.995","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215146","13.5703","0.001","14.408","0.0011","19.4879","0.0015","93.937","0.001","109.856","0.001","93.505","0.001","3560.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H26 Br8 Cd2 N12 O9 -","- C46 H26 Br8 Cd2 N12 O9 -","- C92 H52 Br16 Cd4 N24 O18 -","2","1","","Wang, Lei; Yan, Zhi-Hao; Xiao, Zhenyu; Guo, Dong; Wang, Wenqiang; Yang, Yu","Reactant ratio-modulated entangled Cd(ii) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration","CrystEngComm","2013","15","27","5552","","10.1039/c3ce40273h","","","0.71073","MoKα","","0.092","0.0597","","","0.1568","0.1715","","","","","","0.959","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215147","13.6363","0.0011","16.8584","0.0015","8.226","0.0009","90","","99.159","0.001","90","","1866.9","0.3","145","13","145","13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 N3 O13 Zn2 -","- C37 H37 N3 O13 Zn2 -","- C74 H74 N6 O26 Zn4 -","2","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.059","0.0422","","","0.0922","0.1032","","","","","","1.067","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215148","13.9411","0.0008","17.0817","0.0012","7.668","0.0018","90","","91.974","0.009","90","","1825","0.5","121.4","0.1","121.4","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 Cd2 N3 O13 -","- C37 H37 Cd2 N3 O13 -","- C74 H74 Cd4 N6 O26 -","2","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.1512","0.081","","","0.2001","0.2618","","","","","","1.053","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215149","15.1064","0.0014","13.6928","0.0012","22.126","0.002","90","","90","","90","","4576.7","0.7","121.4","0.1","121.4","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H18 N2 O6 Zn -","- C27 H18 N2 O6 Zn -","- C216 H144 N16 O48 Zn8 -","8","1","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.075","0.0482","","","0.0968","0.1112","","","","","","1.035","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215150","7.3348","0.0005","18.9816","0.0016","33.871","0.003","90","","90","","90","","4715.7","0.7","125","6","125","6","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C54 H42 N4 O13 Zn2 -","- C54 H42 N4 O13 Zn2 -","- C216 H168 N16 O52 Zn8 -","4","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.0904","0.0644","","","0.1173","0.1297","","","","","","1.08","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215151","10.2647","0.0011","13.926","0.0014","29.09","0.003","90","","99.377","0.001","90","","4102.7","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cd2 N2 O16 -","- C42 H34 Cd2 N2 O16 -","- C168 H136 Cd8 N8 O64 -","4","1","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.71073","MoKα","","0.1925","0.0728","","","0.1312","0.1652","","","","","","0.888","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215152","10.1479","0.0012","13.8385","0.0015","28.596","0.002","90","","100.104","0.001","90","","3953.5","0.7","121.2","0.14","121.2","0.14","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cd2 N2 O16 -","- C42 H36 Cd2 N2 O16 -","- C168 H144 Cd8 N8 O64 -","4","1","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.1347","0.0812","","","0.1943","0.2431","","","","","","1.073","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215153","19.507","0.002","12.5344","0.0009","11.6931","0.0014","90","","115.375","0.01","90","","2583.2","0.5","121.5","0.14","121.5","0.14","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N3 O10 Zn -","- C27 H23 N3 O10 Zn -","- C108 H92 N12 O40 Zn4 -","4","0.5","","Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng","Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands","CrystEngComm","2013","15","27","5476","","10.1039/c3ce40583d","","","0.7107","MoKα","","0.1437","0.079","","","0.169","0.2139","","","","","","1.083","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215154","9.378","0.002","12.245","0.003","13.488","0.003","90","","92.744","0.003","90","","1547.1","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cl0 N7 O3 V -","- C13 H14 N7 O3 V -","- C52 H56 N28 O12 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0487","0.0425","","","0.1251","0.1293","","","","","","1.081","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215155","13.447","0.003","8.7943","0.0018","22.021","0.004","90","","105.599","0.003","90","","2508.2","0.9","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H24 N10 O S2 V -","- C19 H24 N10 O S2 V -","- C76 H96 N40 O4 S8 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0946","0.0538","","","0.1201","0.1401","","","","","","1.023","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215156","9.3562","0.001","11.9681","0.0012","11.9868","0.0012","60.215","0.002","84.303","0.002","81.998","0.002","1152.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H52 N16 O14 V2 -","- C40 H52 N16 O14 V2 -","- C40 H52 N16 O14 V2 -","1","0.5","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0737","0.0507","","","0.124","0.1332","","","","","","1.014","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215157","8.009","0.0017","12.111","0.003","18.06","0.004","90","","92.664","0.003","90","","1749.9","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N5 O7 S V -","- C13 H17 N5 O7 S V -","- C52 H68 N20 O28 S4 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0928","0.0531","","","0.1315","0.1535","","","","","","1.021","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215158","12.26","0.002","8.0264","0.0015","19.192","0.004","90","","102.58","0.002","90","","1843.2","0.6","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N5 O6 S V -","- C15 H19 N5 O6 S V -","- C60 H76 N20 O24 S4 V4 -","4","1","","Chen, Chen; Sun, Qiao; Ren, Dong-Xue; Zhang, Rui; Bai, Feng-Ying; Xing, Yong-Heng; Shi, Zhan","Bromoperoxidase mimic as catalysts for oxidative bromination—synthesis, structures and properties of the diversified oxidation state of vanadium(iii, iv and v) complexes with pincer N-heterocycle ligands","CrystEngComm","2013","15","27","5561","","10.1039/c3ce40410b","","","0.71073","MoKα","","0.0564","0.0442","","","0.1167","0.1234","","","","","","1.066","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215159","15.139","0.004","4.0242","0.0007","20.829","0.005","90","","90.99","0.02","90","","1268.8","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br4 Hg N6 O2 -","- C22 H16 Br4 Hg N6 O2 -","- C44 H32 Br8 Hg2 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1037","0.0618","","","0.1583","0.1965","","","","","","0.952","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215160","14.8401","0.0002","3.887","0.0002","20.9156","0.0002","90","","90.532","0.001","90","","1206.43","0.07","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C44 H32 Br4 Cl4 Hg2 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0566","0.0318","","","0.058","0.0645","","","","","","0.986","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215161","13.5526","0.0008","4.4302","0.0003","22.2992","0.0014","90","","90.631","0.005","90","","1338.78","0.15","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 Hg I2 N6 O2 -","- C22 H16 Br2 Hg I2 N6 O2 -","- C44 H32 Br4 Hg2 I4 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0647","0.0466","","","0.102","0.1087","","","","","","0.977","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215162","14.5572","0.0007","7.3163","0.0004","24.0305","0.001","90","","101.012","0.004","90","","2512.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C22 H16 Br2 Cl2 Hg N6 O2 -","- C88 H64 Br8 Cl8 Hg4 N24 O8 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0823","0.0713","","","0.1717","0.1798","","","","","","1.187","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215163","14.906","0.003","3.8968","0.0008","20.955","0.004","90","","90.7","0.03","90","","1217.1","0.4","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl4 Hg N6 O2 -","- C22 H16 Cl4 Hg N6 O2 -","- C44 H32 Cl8 Hg2 N12 O4 -","2","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0375","0.03","","","0.0808","0.0924","","","","","","1.166","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215164","14.5824","0.0012","7.4123","0.0006","24.848","0.002","90","","102.074","0.007","90","","2626.4","0.4","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl2 Hg I2 N6 O2 -","- C22 H16 Cl2 Hg I2 N6 O2 -","- C88 H64 Cl8 Hg4 I8 N24 O8 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0757","0.0671","","","0.1756","0.1846","","","","","","1.151","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215165","4.1959","0.0013","11.098","0.004","13.238","0.004","105.92","0.03","94.03","0.03","92.17","0.03","590.3","0.3","298","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Br2 F2 Hg N6 O2 -","- C22 H16 Br2 F2 Hg N6 O2 -","- C22 H16 Br2 F2 Hg N6 O2 -","1","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1465","0.1196","","","0.3144","0.3452","","","","","","1.309","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215166","7.4778","0.0014","13.555","0.002","13.597","0.002","119.497","0.012","90.612","0.014","101.727","0.013","1164.6","0.4","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 Cl2 F2 Hg N6 O2 -","- C22 H16 Cl2 F2 Hg N6 O2 -","- C44 H32 Cl4 F4 Hg2 N12 O4 -","2","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1059","0.0739","","","0.1638","0.177","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215167","13.9671","0.0011","7.6637","0.0005","23.921","0.002","90","","101.728","0.007","90","","2507","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F2 Hg I2 N6 O2 -","- C22 H16 F2 Hg I2 N6 O2 -","- C88 H64 F8 Hg4 I8 N24 O8 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0779","0.0499","","","0.1021","0.1125","","","","","","1.069","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215168","7.893","0.003","8.012","0.003","13.861","0.005","101.27","0.03","92.18","0.03","115","0.03","771.9","0.6","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H8 Br2 Hg I N3 O -","- C11 H8 Br2 Hg I N3 O -","- C22 H16 Br4 Hg2 I2 N6 O2 -","2","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.1388","0.1121","","","0.2849","0.3025","","","","","","1.183","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215169","43.913","0.008","4.098","0.0006","15.368","0.003","90","","104.707","0.013","90","","2674.9","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl2 Hg I2 N6 O2 -","- C22 H16 Cl2 Hg I2 N6 O2 -","- C88 H64 Cl8 Hg4 I8 N24 O8 -","4","0.5","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0788","0.0596","","","0.1261","0.1349","","","","","","1.216","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215170","14.3544","0.0009","7.8891","0.0006","14.744","0.0011","90","","99.842","0.005","90","","1645.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H8 Hg I3 N3 O -","- C11 H8 Hg I3 N3 O -","- C44 H32 Hg4 I12 N12 O4 -","4","1","","Khavasi, Hamid Reza; Tahrani, Alireza Azhdari","The role of secondary bonding on supramolecular assembly of coordination compounds: diversity of coordination modes and supramolecular structures","CrystEngComm","2013","15","29","5799","","10.1039/c3ce40433a","","","0.71073","MoKα","","0.0694","0.0619","","","0.1592","0.1653","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215171","13.8783","0.0008","13.8783","0.0008","20.2283","0.0015","90","","90","","120","","3374.1","0.4","220","","220","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0617","0.0479","","","0.0873","0.0914","","","","","","1.151","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215172","13.9053","0.0013","13.9053","0.0013","20.333","0.003","90","","90","","120","","3404.8","0.7","300","","300","","","","","","","","","4","R -3 :H","-R 3","148","Rb2SnCu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0434","0.0287","","","0.0664","0.0736","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215173","13.8636","0.0003","13.8636","0.0004","20.1758","0.0004","90","","90","","120","","3358.25","0.14","140","","140","","","","","","","","","4","R -3 :H","-R 3","148","Rb2SnCu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0638","0.0562","","","0.1132","0.1163","","","","","","1.161","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215174","13.8771","0.0008","13.8771","0.0008","20.2392","0.0013","90","","90","","120","","3375.4","0.4","230","","230","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0592","0.047","","","0.0964","0.1014","","","","","","1.168","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215175","13.8749","0.001","13.8749","0.001","20.2458","0.0014","90","","90","","120","","3375.4","0.4","245","","245","","","","","","","","","4","R -3 :H","-R 3","148","Rb2Sn1Cu3F12","","","- Cu3 F12 Rb2 Sn -","- Cu3 F12 Rb2 Sn -","- Cu36 F144 Rb24 Sn12 -","12","0.666667","","Downie, Lewis J.; Thompson, Stephen P.; Tang, Chiu C.; Parsons, Simon; Lightfoot, Philip","Re-entrant structural phase transition in a frustrated kagome magnet, Rb2SnCu3F12","CrystEngComm","2013","15","37","7426","","10.1039/c3ce41422a","","","0.71073","MoKα","","0.0707","0.0515","","","0.1101","0.1189","","","","","","1.124","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7215176","9.694","0.005","24.806","0.001","15.879","0.0007","90","","90","","90","","3818","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 Co3 N2 O17 -","- C36 H34 Co3 N2 O17 -","- C144 H136 Co12 N8 O68 -","4","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0422","0.0348","","","0.0879","0.0935","","","","","","1.063","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215177","9.678","0.0004","24.873","0.0012","15.827","0.0008","90","","90","","90","","3809.9","0.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36 H38 N2 O17 Zn3 -","- C36 H34 N2 O17 Zn3 -","- C144 H136 N8 O68 Zn12 -","4","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0406","0.0317","","","0.0753","0.0799","","","","","","1.08","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215178","13.444","0.0005","8.406","0.0004","23.783","0.0007","90","","93.752","0.003","90","","2681.96","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H52 Co3 N6 O16 -","- C56 H48 Co3 N6 O16 -","- C112 H96 Co6 N12 O32 -","2","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0615","0.0441","","","0.0996","0.1098","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7215179","9.653","0.0004","13.823","0.0005","15.233","0.0008","81.369","0.004","78.69","0.004","75.595","0.004","1919.45","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H84 N14 Ni3 O18 -","- C78 H74 N14 Ni3 O18 -","- C78 H74 N14 Ni3 O18 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0877","0.0544","","","0.1319","0.1519","","","","","","1.014","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215180","8.299","0.0004","12.733","0.0007","15.717","0.0007","76.61","0.004","84.891","0.004","86.738","0.004","1608.14","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 Co3 N14 O20 -","- C60 H64 Co3 N14 O20 -","- C60 H64 Co3 N14 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0577","0.0417","","","0.0918","0.1013","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215181","8.286","0.0009","12.649","0.0014","15.745","0.0015","76.209","0.009","84.84","0.009","86.847","0.009","1595.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 N14 Ni3 O20 -","- C60 H68 N14 Ni3 O20 -","- C60 H68 N14 Ni3 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0731","0.0476","","","0.0828","0.0938","","","","","","1.028","","","","has coordinates,has disorder","180482","2020-10-21","18:00:00",""
"7215182","8.261","0.0005","12.761","0.0007","15.75","0.0011","76.617","0.005","85.085","0.005","86.823","0.005","1608.23","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H68 N14 O20 Zn3 -","- C60 H64 N14 O20 Zn3 -","- C60 H64 N14 O20 Zn3 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0584","0.0407","","","0.0882","0.0972","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7215183","8.628","0.0004","11.714","0.0006","16.556","0.0008","78.743","0.004","80.461","0.004","84.379","0.004","1614.68","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H72 Co3 N10 O20 -","- C64 H68 Co3 N10 O20 -","- C64 H68 Co3 N10 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.05","0.0383","","","0.0931","0.1007","","","","","","1.028","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215184","10.104","0.0006","10.537","0.0008","15.197","0.0009","70.911","0.006","87.456","0.005","87.386","0.006","1526.66","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H72 Co3 N10 O20 -","- C56 H64 Co3 N10 O20 -","- C56 H64 Co3 N10 O20 -","1","0.5","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0443","0.0341","","","0.0782","0.0844","","","","","","1.05","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215185","16.746","0.0008","7.019","0.0003","18.05","0.0009","90","","116.184","0.006","90","","1903.88","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N Ni O9 -","- C18 H21 N Ni O9 -","- C72 H84 N4 Ni4 O36 -","4","1","","Han, Rong-Min; Ma, Jian-Fang; Liu, Ying-Ying; Yang, Jin","Syntheses, structures, and photoluminescent properties of a series of coordination polymers based on a new 2′-carboxybiphenyl-4-ylmethylaminodiacetic acid and different N-donor ligands","CrystEngComm","2013","15","28","5641","","10.1039/c3ce40528a","","","0.71069","MoKα","","0.0267","0.0237","","","0.0596","0.0615","","","","","","1.04","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215186","15.4078","0.0008","11.8022","0.0007","18.1893","0.001","90","","109.455","0.006","90","","3118.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- Ca2 H62 Na6 O72 W12 -","- Ca2 Na6 O72 W12 -","- Ca4 Na12 O144 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0859","0.0502","","","0.0804","0.0918","","","","","","0.97","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215187","15.8131","0.0004","12.3772","0.0003","15.9268","0.0004","90","","101.166","0.002","90","","3058.22","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H54 O68 Sr4 W12 -","- O68 Sr4 W12 -","- O136 Sr8 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0536","0.0335","","","0.0547","0.0558","","","","","","1.126","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215188","11.4169","0.0012","23.762","0.003","12.4588","0.0014","90","","110.587","0.001","90","","3164.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H62 Na2 O72 Sr4 W12 -","- Na2 O72 Sr4 W12 -","- Na4 O144 Sr8 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0663","0.0582","","","0.1507","0.1574","","","","","","1.035","","","","has coordinates","180482","2020-10-21","18:00:00",""
"7215189","11.4467","0.0005","23.8573","0.0008","12.462","0.0005","90","","110.458","0.004","90","","3188.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Ba4 H61 Na2 O71.5 W12 -","- Ba4 Na2 O71.5 W12 -","- Ba8 Na4 O143 W24 -","2","0.5","","Cui, Keyu; Li, Fengyan; Xu, Lin; Wang, Yuchao; Sun, Zhixia; Fu, Honggang","A 3D all-inorganic architecture based on the [H2W12O42]10− building block with different alkaline-earth metal linkers: crystal structures, surface photovoltage and photoluminescent properties","CrystEngComm","2013","15","23","4721","","10.1039/c3ce40222c","","","0.71073","MoKα","","0.0823","0.0618","","","0.1639","0.1785","","","","","","1.059","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7215190","8.652","0.003","8.652","0.003","12.582","0.004","90","","90","","90","","941.9","0.6","273","2","100","2","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Ge Li10 P2 S12 -","- Ge Li9.992 P2 S12 -","- Ge2 Li19.984 P4 S24 -","2","0.125","","Kuhn, Alexander; Köhler, Jürgen; Lotsch, Bettina V.","Single-crystal X-ray structure analysis of the superionic conductor Li10GeP2S12.","Physical chemistry chemical physics : PCCP","2013","15","28","11620","11622","10.1039/c3cp51985f","","x-ray","0.71073","MoKα","","0.0514","0.0355","","","0.088","0.1056","","","","","","1.154","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215191","8.719","0.003","8.719","0.003","12.639","0.004","90","","90","","90","","960.8","0.6","273","2","298","2","","","","","","","","4","P 42/n m c :1","P 4n 2n -1n","137","","","","- Ge Li10 P2 S12 -","- Ge Li10.028 P2 S12 -","- Ge2 Li20.056 P4 S24 -","2","0.125","","Kuhn, Alexander; Köhler, Jürgen; Lotsch, Bettina V.","Single-crystal X-ray structure analysis of the superionic conductor Li10GeP2S12.","Physical chemistry chemical physics : PCCP","2013","15","28","11620","11622","10.1039/c3cp51985f","","x-ray","0.71073","MoKα","","0.0616","0.0455","","","0.1118","0.1299","","","","","","1.171","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216696","9.624","0.003","9.777","0.003","10.267","0.003","89.282","0.007","73.95","0.006","86.894","0.006","927","0.5","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H12 F6 -","- C24 H12 F6 -","- C48 H24 F12 -","2","1","","Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima","Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives","RSC Advances","2013","3","19","6803","6806","10.1039/C3RA40974K","","","0.71075","MoKα","","","0.0636","","","","0.166","","","","","","1.001","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216697","9.7598","0.0016","9.8853","0.0016","11.7566","0.0019","71.537","0.005","81.277","0.006","76.796","0.005","1043.6","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H16 F6 -","- C28 H16 F6 -","- C56 H32 F12 -","2","1","","Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima","Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives","RSC Advances","2013","3","19","6803","6806","10.1039/C3RA40974K","","","0.71075","MoKα","","","0.0817","","","","0.2548","","","","","","1.034","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216698","21.785","0.005","5.4006","0.0013","16.888","0.004","90","","104.112","0.004","90","","1926.9","0.8","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 F6 S2 -","- C24 H12 F6 S2 -","- C96 H48 F24 S8 -","4","0.5","","Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima","Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives","RSC Advances","2013","3","19","6803","6806","10.1039/C3RA40974K","","","0.71073","MoKα","","0.0609","0.051","","","0.1536","0.1636","","","","","","1.238","","","","has coordinates,has disorder","180497","2020-10-21","18:00:00",""
"7216699","11.8145","","8.9218","","12.4651","","90","","95.06","","90","","1308.78","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 F6 O2 -","- C34 H20 F6 O2 -","- C136 H80 F24 O8 -","4","1","","Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima","Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives","RSC Advances","2013","3","19","6803","6806","10.1039/C3RA40974K","","","","","","","","","","","","","","","","","","","","","has coordinates","180497","2020-10-21","18:00:00",""
"7216700","15.259","0.004","11.705","0.003","12.681","0.003","90","","113.096","0.005","90","","2083.4","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H8 F16 -","- C21 H8 F16 -","- C84 H32 F64 -","4","1","","Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima","Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives","RSC Advances","2013","3","19","6803","6806","10.1039/C3RA40974K","","","0.71075","MoKα","","0.0745","0.0584","","","0.1433","0.1541","","","","","","1.088","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7216701","28.388","0.009","5.7555","0.0015","14.35","0.005","90","","76.509","0.005","90","","2279.9","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H8 F20 -","- C23 H8 F20 -","- C92 H32 F80 -","4","1","","Shigeyuki Yamada; Keita Kinoshita; Shota Iwama; Takashi Yamazaki; Toshio Kubota; Tomoko Yajima","Development of novel synthetic routes to bis(perfluoroalkyl)-substituted anthracene derivatives","RSC Advances","2013","3","19","6803","6806","10.1039/C3RA40974K","","","0.71075","MoKα","","0.0914","0.0634","","","0.1545","0.173","","","","","","1.022","","","","has coordinates","180498","2020-10-21","18:00:00",""
"7228110","8.36","0.01","8.36","0.01","8.36","0.01","90","","90","","90","","584.3","1.2","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","Iron diiron(III) oxide","Magnetite","- Fe3 O4 -","- Fe3 O4 -","- Fe24 O32 -","8","0.0416667","","El Mendili, Y.; Abdelouas, A.; Bardeau, J.-F.","Insight into the mechanism of carbon steel corrosion under aerobic and anaerobic conditions","Physical Chemistry and Chemical Physics","2013","15","23","9197","9204","10.1039/c3cp50853f","","","","","","","","","","","","","","","","","","","","","has coordinates","199389","2020-10-21","18:00:00",""
"7228542","5.42","","5.42","","5.42","","90","","90","","90","","159.22","","","","","","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- Fe S2 -","- Fe S2 -","- Fe4 S8 -","4","1","","El Mendili, Y.; Abdelouas, A.; Bardeau, J.-F.","Impact of a sulphidogenic environment on the corrosion behavior of carbon steel at 90 °C","RSC Advances","2013","3","35","15148","15156","10.1039/C3RA42221F","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7233076","9.301","0.004","12.332","0.005","17.567","0.007","90","","103.82","0.009","90","","1956.6","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 B F2 N2 Si -","- C20 H23 B F2 N2 Si -","- C80 H92 B4 F8 N8 Si4 -","4","1","","Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure","JOURNAL OF MATERIALS CHEMISTRY C","2013","1","","4691","4698","10.1039/C3TC30632A","","","0.71073","MoKα","","0.3129","0.1272","","","0.3024","0.3528","","","","","","1.053","","","","has coordinates","216974","2020-10-21","18:00:00",""
"7233077","6.88","0.003","10.87","0.005","26.448","0.012","90","","93.084","0.009","90","","1975.1","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H23 B F2 N2 Si -","- C20 H23 B F2 N2 Si -","- C80 H92 B4 F8 N8 Si4 -","4","2","","Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure","JOURNAL OF MATERIALS CHEMISTRY C","2013","1","","4691","4698","10.1039/C3TC30632A","","","0.71073","MoKα","","0.1964","0.1176","","","0.267","0.311","","","","","","1.036","","","","has coordinates","216975","2020-10-21","18:00:00",""
"7233078","9.0644","0.0018","13.838","0.003","17.166","0.003","84.182","0.009","89.033","0.01","78.19","0.009","2096.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 B F2 N2 Si -","- C22 H27 B F2 N2 Si -","- C88 H108 B4 F8 N8 Si4 -","4","2","","Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure","JOURNAL OF MATERIALS CHEMISTRY C","2013","1","","4691","4698","10.1039/C3TC30632A","","","0.71073","MoKα","","0.1584","0.108","","","0.2556","0.2772","","","","","","1.104","","","","has coordinates","216976","2020-10-21","18:00:00",""
"7233079","30.7303","0.0015","6.5809","0.0003","20.933","0.001","90","","90","","90","","4233.3","0.3","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H27 B F2 N2 Si -","- C22 H27 B F2 N2 Si -","- C176 H216 B8 F16 N16 Si8 -","8","2","","Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure","JOURNAL OF MATERIALS CHEMISTRY C","2013","1","","4691","4698","10.1039/C3TC30632A","","","0.71073","MoKα","","0.0965","0.0686","","","0.1624","0.1849","","","","","","1.019","","","","has coordinates","216977","2020-10-21","18:00:00",""
"7233080","8.957","0.004","14.264","0.007","17.227","0.008","81.589","0.009","88.643","0.008","87.439","0.009","2174.8","1.8","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 B F2 N2 Si -","- C22 H27 B F2 N2 Si -","- C88 H108 B4 F8 N8 Si4 -","4","2","","Swamy, Chinna Ayya P; Mukherjee, Sanjoy; Thilagar, Pakkirisamy","Tuning the solid state emission of meso-Me3SiC6H4 BODIPYs by tuning their solid state structure","JOURNAL OF MATERIALS CHEMISTRY C","2013","1","","4691","4698","10.1039/C3TC30632A","","","0.71073","MoKα","","0.1493","0.087","","","0.2063","0.2428","","","","","","1.066","","","","has coordinates","216978","2020-10-21","18:00:00",""
"7233081","11.4876","0.0011","19.033","0.003","21.883","0.003","78.208","0.012","88.161","0.01","79.175","0.011","4600.2","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38.39 H40.78 Cl2.78 F10 Ir N8 P -","- C38.39 H40.78 Cl2.78 F10 Ir N8 P -","- C153.56 H163.12 Cl11.12 F40 Ir4 N32 P4 -","4","2","","Sebastian B. Meier; Wiebke Sarfert; Jose M. Junquera-Hernandez; Manuel Delgado; Daniel Tordera; Enrique Orti; Henk J. Bolink; Florian Kessler; Rosario Scopelliti; Michael Gratzel; M. Khaja Nazeeruddind; Etienne Baranoff","A deep-blue emitting charged bis-cyclometallated iridium(III) complex for light-emitting electrochemical cells","Journal of Materials Chemistry C","2013","1","","58","68","10.1039/C2TC00251E","","","0.71073","MoKα","","0.0837","0.0505","","","0.0998","0.1155","","","","","","1.051","","","","has coordinates,has disorder","216979","2020-10-21","18:00:00",""
"7233082","10.581","0.002","11.669","0.002","17.239","0.003","72.23","0.03","79.69","0.03","75.14","0.03","1947.4","0.7","291","2","291","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H24 Eu F9 N2 O8 S2 Zn -","- C35 H24 Eu F9 N2 O8 S2 Zn -","- C70 H48 Eu2 F18 N4 O16 S4 Zn2 -","2","1","","Shimin Wang; Bin Zhang; Yanhui Hou; Chenxia Du; Yangjie Wu","A highly pure red luminescent europium(III) complex with a Schiff base zinc(II) complex as a neutral ligand","Journal of Materials Chemistry C","2013","1","","406","409","10.1039/C2TC00279E","","","0.71073","MoKα","","0.1055","0.069","","","0.1371","0.1558","","","","","","1.054","","","","has coordinates,has disorder","216980","2020-10-21","18:00:00",""
"7233112","34.9751","0.0013","9.6151","0.0003","15.9638","0.0006","90","","109.068","0.002","90","","5073.9","0.3","180","2","180","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H16 Cl2 F4 Ir N5 O2 -","- C27 H16 Cl2 F4 Ir N5 O2 -","- C216 H128 Cl16 F32 Ir8 N40 O16 -","8","1","","Youngjin Kang; Yi-Lu Chang; Jia-Sheng Lu; Soo-Byung Ko; Yingli Rao; Maria Varlan; Zheng-Hong Luc; Suning Wang","Highly efficient blue phosphorescent and electroluminescent Ir(III) compounds","Journal of Materials Chemistry C","2013","1","","441","450","10.1039/C2TC00270A","","","0.71073","MoKα","","0.0575","0.041","","","0.0935","0.0993","","","","","","1.068","","","","has coordinates","217022","2020-10-21","18:00:00",""
"7233113","7.6661","0.0001","18.1556","0.0003","16.2735","0.0003","90","","99.199","0.001","90","","2235.86","0.06","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 F4 Ir N4 O2 -","- C25 H17 F4 Ir N4 O2 -","- C100 H68 F16 Ir4 N16 O8 -","4","1","","Youngjin Kang; Yi-Lu Chang; Jia-Sheng Lu; Soo-Byung Ko; Yingli Rao; Maria Varlan; Zheng-Hong Luc; Suning Wang","Highly efficient blue phosphorescent and electroluminescent Ir(III) compounds","Journal of Materials Chemistry C","2013","1","","441","450","10.1039/C2TC00270A","","","0.71073","MoKα","","0.0296","0.0246","","","0.0602","0.0631","","","","","","1.03","","","","has coordinates","217023","2020-10-21","18:00:00",""
"7233114","9.6512","0.0008","22.813","0.002","19.5335","0.0017","90","","93.96","0.002","90","","4290.5","0.6","90","2","90","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H42 B Cl2 Cu N4 P2 -","- C49 H42 B Cl2 Cu N4 P2 -","- C196 H168 B4 Cl8 Cu4 N16 P8 -","4","1","","Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Masataka Yashima; Mikio Hoshinoa; Masahisa Osawa","Highly efficient green organic light-emitting diodes containing luminescent tetrahedral copper(I) complexes","Journal of Materials Chemistry C","2013","1","","542","551","10.1039/C2TC00263A","","","0.71073","MoKα","","0.0759","0.0677","","","0.1658","0.1721","","","","","","1.12","","","","has coordinates","217024","2020-10-21","18:00:00",""
"7233115","12.4467","0.0008","13.2352","0.0011","13.7652","0.0009","89.778","0.004","70.725","0.004","78.648","0.003","2094","0.3","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C48 H32 B Cu F8 N4 P2 -","- C48 H32 B Cu F8 N4 P2 -","- C96 H64 B2 Cu2 F16 N8 P4 -","2","1","","Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Masataka Yashima; Mikio Hoshinoa; Masahisa Osawa","Highly efficient green organic light-emitting diodes containing luminescent tetrahedral copper(I) complexes","Journal of Materials Chemistry C","2013","1","","542","551","10.1039/C2TC00263A","","","0.71073","MoKα","","0.0344","0.0297","","","0.0802","0.083","","","","","","1.087","","","","has coordinates","217025","2020-10-21","18:00:00",""
"7233116","12.6861","0.0016","20.39","0.003","44.345","0.006","90","","90","","90","","11471","3","90","","90","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C56 H32 B Cu F24 N4 P2 -","- C56 H32 B Cu F24 N4 P2 -","- C448 H256 B8 Cu8 F192 N32 P16 -","8","1","","Satoshi Igawa; Masashi Hashimoto; Isao Kawata; Masataka Yashima; Mikio Hoshinoa; Masahisa Osawa","Highly efficient green organic light-emitting diodes containing luminescent tetrahedral copper(I) complexes","Journal of Materials Chemistry C","2013","1","","542","551","10.1039/C2TC00263A","","","0.71073","MoKα","","0.0804","0.0671","","","0.1561","0.1642","","","","","","1.132","","","","has coordinates","217026","2020-10-21","18:00:00",""
"7233117","25.213","0.002","16.3919","0.0013","26.065","0.003","90","","90","","90","","10772.4","1.7","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C52 H30 F18 Ir N3 O2 P2 -","- C52 H30 F18 Ir N3 O2 P2 -","- C416 H240 F144 Ir8 N24 O16 P16 -","8","1","","Hong-Yan Li; Liang Zhou; Ming-Yu Teng; Qiu-Lei Xu; Chen Lin; You-Xuan Zheng; Jing-Lin Zuo; Hong-Jie Zhangb; Xiao-Zeng Youa","Highly efficient green phosphorescent OLEDs based on a novel iridium complex","Journal of Materials Chemistry C","2013","1","","560","565","10.1039/C2TC00052K","","","0.71073","MoKα","","0.0624","0.0371","","","0.0896","0.0983","","","","","","1.055","","","","has coordinates,has disorder","217027","2020-10-21","18:00:00",""
"7233118","7.6164","0.0006","6.5945","0.0006","6.3107","0.0005","90","","90","","90","","316.96","0.05","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Cu3 P S0.71 Se3.29 -","- Cu3 P S0.711 Se3.289 -","- Cu6 P2 S1.422 Se6.578 -","2","0.5","","Vorranutch Itthibenchapong; Robert S. Kokenyesi; Andrew J. Ritenour; Lev N. Zakharov; Shannon W. Boettcher; John F. Wagerd; Douglas A. Keszler","Earth-abundant Cu-based chalcogenide semiconductors as photovoltaic absorbers","Journal of Materials Chemistry C","2013","1","","657","652","10.1039/C2TC00106C","","","0.71073","MoKα","","0.0294","0.0283","","","0.066","0.0678","","","","","","1","","","","has coordinates","217028","2020-10-21","18:00:00",""
"7233119","7.5034","0.0005","6.4951","0.0005","6.2174","0.0004","90","","90","","90","","303.01","0.04","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Cu3 P S1.89 Se2.11 -","- Cu3 P S1.896 Se2.104 -","- Cu6 P2 S3.792 Se4.208 -","2","0.5","","Vorranutch Itthibenchapong; Robert S. Kokenyesi; Andrew J. Ritenour; Lev N. Zakharov; Shannon W. Boettcher; John F. Wagerd; Douglas A. Keszler","Earth-abundant Cu-based chalcogenide semiconductors as photovoltaic absorbers","Journal of Materials Chemistry C","2013","1","","657","652","10.1039/C2TC00106C","","","0.71073","MoKα","","0.0252","0.0242","","","0.0574","0.0582","","","","","","1.048","","","","has coordinates","217029","2020-10-21","18:00:00",""
"7233120","9.524","0.002","13.963","0.003","14.858","0.003","73.185","0.003","74.497","0.003","73.671","0.003","1777.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 F4 Ir N5 -","- C41 H36 F4 Ir N5 -","- C82 H72 F8 Ir2 N10 -","2","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Guanidinate ligated iridium(III) complexes with various cyclometalated ligands: synthesis, structure, and highly efficient electrophosphorescent properties with a wide range of emission colours","Journal of Materials Chemistry C","2013","1","","677","689","10.1039/C2TC00242F","","","0.71073","MoKα","","0.0622","0.0506","","","0.1126","0.1162","","","","","","0.994","","","","has coordinates","217030","2020-10-21","18:00:00",""
"7233121","10.378","0.003","10.421","0.003","17.146","0.005","85.018","0.003","81.768","0.003","79.502","0.004","1801","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H40 Ir N5 -","- C45 H40 Ir N5 -","- C90 H80 Ir2 N10 -","2","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Guanidinate ligated iridium(III) complexes with various cyclometalated ligands: synthesis, structure, and highly efficient electrophosphorescent properties with a wide range of emission colours","Journal of Materials Chemistry C","2013","1","","677","689","10.1039/C2TC00242F","","","0.71073","MoKα","","0.0326","0.0291","","","0.0686","0.0696","","","","","","1.006","","","","has coordinates","217031","2020-10-21","18:00:00",""
"7233122","9.13","0.008","17.026","0.014","24.47","0.02","88.939","0.013","89.1","0.012","87.355","0.012","3799","6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H40 Ir N5 O2 -","- C45 H40 Ir N5 O2 -","- C180 H160 Ir4 N20 O8 -","4","2","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Guanidinate ligated iridium(III) complexes with various cyclometalated ligands: synthesis, structure, and highly efficient electrophosphorescent properties with a wide range of emission colours","Journal of Materials Chemistry C","2013","1","","677","689","10.1039/C2TC00242F","","","0.71073","MoKα","","0.1298","0.092","","","0.213","0.2235","","","","","","1.117","","","","has coordinates","217032","2020-10-21","18:00:00",""
"7233123","9.311","0.006","16.719","0.011","24.391","0.017","90","","90.481","0.012","90","","3797","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 Ir N5 S2 -","- C45 H40 Ir N5 S2 -","- C180 H160 Ir4 N20 S8 -","4","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Guanidinate ligated iridium(III) complexes with various cyclometalated ligands: synthesis, structure, and highly efficient electrophosphorescent properties with a wide range of emission colours","Journal of Materials Chemistry C","2013","1","","677","689","10.1039/C2TC00242F","","","0.71073","MoKα","","0.0795","0.0422","","","0.0609","0.0667","","","","","","0.655","","","","has coordinates","217033","2020-10-21","18:00:00",""
"7233124","10.335","0.005","13.42","0.007","17.234","0.009","80.228","0.007","77.838","0.007","72.643","0.007","2216","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 Ir N5 S2 -","- C52 H48 Ir N5 S2 -","- C104 H96 Ir2 N10 S4 -","2","1","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Guanidinate ligated iridium(III) complexes with various cyclometalated ligands: synthesis, structure, and highly efficient electrophosphorescent properties with a wide range of emission colours","Journal of Materials Chemistry C","2013","1","","677","689","10.1039/C2TC00242F","","","0.71073","MoKa","","0.0546","0.0423","","","0.0807","0.0831","","","","","","0.913","","","","has coordinates","217034","2020-10-21","18:00:00",""
"7233125","14.992","0.007","29.691","0.014","10.583","0.005","90","","106.707","0.007","90","","4512","4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(Piq)2Ir{iPrN)2C(NPh2)}]","","","- C56 H52 Ir N5 -","- C56 H52 Ir N5 -","- C224 H208 Ir4 N20 -","4","0.5","","Virendra Kumar Rai; Masayoshi Nishiura; Masanori Takimoto; Zhaomin Hou","Guanidinate ligated iridium(III) complexes with various cyclometalated ligands: synthesis, structure, and highly efficient electrophosphorescent properties with a wide range of emission colours","Journal of Materials Chemistry C","2013","1","","677","689","10.1039/C2TC00242F","","","0.71073","MoKα","","0.0494","0.0346","","","0.0611","0.0631","","","","","","0.859","","","","has coordinates","217035","2020-10-21","18:00:00",""
"7233126","17.668","0.007","18.234","0.008","9.624","0.004","90","","98.597","0.007","90","","3066","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cl N3 Pt -","- C36 H36 Cl N3 Pt -","- C144 H144 Cl4 N12 Pt4 -","4","1","","Dongfang Qiu; Xiaoyu Bao; Qian Zhao; Yu-Quan Feng; Hongwei Wang; Kecheng Liu","Electrochromic and proton-induced phosphorescence properties of Pt(II) chlorides with arylamine functionalized cyclometalating ligands","Journal of Materials Chemistry C","2013","1","","695","704","10.1039/C2TC00196A","","","0.71073","MoKα","","0.1254","0.0571","","","0.1164","0.1466","","","","","","1.089","","","","has coordinates","217036","2020-10-21","18:00:00",""
"7233127","7.1914","0.0004","7.9109","0.0004","20.1775","0.0011","96.509","0.007","93.7","0.014","93.897","0.01","1134.85","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Cl2 N2 O12 -","- C18 H20 Cl2 N2 O12 -","- C36 H40 Cl4 N4 O24 -","2","1","","Xue-Jun Zhou; Cheng Chen; Cai-Xia Ren; Jian-Ke Sun; Jie Zhang","Tunable solid-state photoluminescence based on proton-triggered structural transformation of 4,4'-bipyridinium derivative","Journal of Materials Chemistry C","2013","1","","744","750","10.1039/C2TC00111J","","","0.71073","MoKα","","0.0859","0.0675","","","0.1189","0.1275","","","","","","1.014","","","","has coordinates,has disorder","217037","2020-10-21","18:00:00",""
"7233128","9.2324","0.0002","21.4758","0.0006","9.494","0.0002","90","","96.749","0.002","90","","1869.36","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N2 O7 -","- C18 H15 Cl N2 O7 -","- C72 H60 Cl4 N8 O28 -","4","1","","Xue-Jun Zhou; Cheng Chen; Cai-Xia Ren; Jian-Ke Sun; Jie Zhang","Tunable solid-state photoluminescence based on proton-triggered structural transformation of 4,4'-bipyridinium derivative","Journal of Materials Chemistry C","2013","1","","744","750","10.1039/C2TC00111J","","","1.54178","CuKα","","0.081","0.0702","","","0.1629","0.1705","","","","","","1.068","","","","has coordinates,has disorder","217038","2020-10-21","18:00:00",""
"7233129","27.357","0.005","8.6859","0.0008","18.312","0.003","90","","119.076","0.007","90","","3802.9","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N2 O7 -","- C18 H14 N2 O7 -","- C144 H112 N16 O56 -","8","1","","Xue-Jun Zhou; Cheng Chen; Cai-Xia Ren; Jian-Ke Sun; Jie Zhang","Tunable solid-state photoluminescence based on proton-triggered structural transformation of 4,4'-bipyridinium derivative","Journal of Materials Chemistry C","2013","1","","744","750","10.1039/C2TC00111J","","","0.71073","MoKα","","0.1174","0.0701","","","0.2041","0.28","","","","","","1.028","","","","has coordinates","217039","2020-10-21","18:00:00",""
"7233130","10.7639","0.0006","28.0012","0.0015","14.6392","0.0008","90","","90.031","0.01","90","","4412.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H42 Ir N3 O3 -","- C54 H42 Ir N3 O3 -","- C216 H168 Ir4 N12 O12 -","4","1","","Guiping Tan; Shuming Chen; Ning Sun; Yanhu Li; Daniel Fortin; Wai-Yeung Wong; Hoi-Sing Kwok; Dongge Ma; Hongbin Wu; Lixiang Wang; Pierre D. Harvey","Highly efficient iridium(III) phosphors with phenoxy-substituted ligands and their high-performance OLEDs","Journal of Materials Chemistry C","2013","1","","808","821","10.1039/C2TC00123C","","","0.71073","MoKα","","0.0455","0.0285","","","0.0661","0.0731","","","","","","1.014","","","","has coordinates","217040","2020-10-21","18:00:00",""
"7233131","10.1672","0.0011","11.4723","0.0013","29.66","0.003","90","","95.018","0.002","90","","3446.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 Ir N2 O4 -","- C41 H35 Ir N2 O4 -","- C164 H140 Ir4 N8 O16 -","4","1","","Guiping Tan; Shuming Chen; Ning Sun; Yanhu Li; Daniel Fortin; Wai-Yeung Wong; Hoi-Sing Kwok; Dongge Ma; Hongbin Wu; Lixiang Wang; Pierre D. Harvey","Highly efficient iridium(III) phosphors with phenoxy-substituted ligands and their high-performance OLEDs","Journal of Materials Chemistry C","2013","1","","808","821","10.1039/C2TC00123C","","","0.71073","MoKα","","0.0525","0.0333","","","0.0725","0.079","","","","","","1.031","","","","has coordinates","217041","2020-10-21","18:00:00",""
"7233132","10.701","0.002","16.98","0.004","18.627","0.004","90","","90","","90","","3384.6","1.3","293","2","293","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C27 H26 Gd N6 O14 -","- C27 H27 Gd N6 O14 -","- C108 H108 Gd4 N24 O56 -","4","1","","Huabin Zhang; Xiaochen Shan; Liujiang Zhou; Ping Lin; Renfu Li; En Ma; Xiangguang Guo; Shaowu Du","Full-colour fluorescent materials based on mixed-lanthanide(III) metal-organic complexes with high-efficiency white light emission","Journal of Materials Chemistry C","2013","1","","888","891","10.1039/C2TC00414C","","","0.71073","MoKα","","0.0374","0.0268","","","0.0821","0.1066","","","","","","1.082","","","","has coordinates","217042","2020-10-21","18:00:00",""
"7233137","16.5479","0.0018","10.9047","0.001","17.9038","0.0018","90","","103.448","0.004","90","","3142.2","0.5","93","2","93","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C33 H33 F4 Ir N4 O2 -","- C33 H33 F4 Ir N4 O2 -","- C132 H132 F16 Ir4 N16 O8 -","4","1","","Florian Kessler; Yuichiro Watanabe; Hisahiro Sasabe; Hiroshi Katagiri; Md. K. Nazeeruddin; Michael Gratzel; Junji Kidobc","High-performance pure blue phosphorescent OLED using a novel bis-heteroleptic iridium(III) complex with fluorinated bipyridyl ligands","Journal of Materials Chemistry C","2013","1","","1070","1075","10.1039/C2TC00836J","","","0.71075","MoKα","","0.0532","0.0474","","","0.0696","0.0714","","","","","","1.24","","","","has coordinates","217054","2020-10-21","18:00:00",""
"7233138","9.99","0.0012","11.2","0.0014","17.2","0.0016","90.79","0.005","95.38","0.005","101.15","0.01","1878.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Ni7 O31 -","- C24 H26 Ni7 O30.902 -","- C48 H52 Ni14 O61.804 -","2","1","","Honghan Fei; Andrew D. LaForge; Tedmann M. Onyango; Jeremy C. Robins; Peter Y. Zavalij; Arthur P. Ramirez; Scott R. J. Oliver","Synthesis and magnetic properties of a 3-D nickel hydroxide capped by succinate","Journal of Materials Chemistry C","2013","1","","1099","1104","10.1039/C2TC00428C","","","0.71073","MoKα","","0.0501","0.0477","","","0.1055","0.1066","","","","","","1.251","","","","has coordinates","217055","2020-10-21","18:00:00",""
"7233139","11.1832","0.0007","11.4422","0.0007","16.2022","0.001","90","","109.272","0.001","90","","1957.1","0.2","173","2","173","2","","","","","","","Prof. J Harvey - Vanderbilt University","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H31 B10 N3 -","- C12 H31 B10 N3 -","- C48 H124 B40 N12 -","4","1","","Aleksandra Jankowiak; Andrzej Balinski; James E. Harvey; Kristein Mason; Adam Januszko; Piotr Kaszynski; Victor G. Young, Jr; Andre Persoons","[closo-B10H10]2- as a structural element for quadrupolar liquid crystals: a new class of liquid crystalline NLO chromophores","Journal of Materials Chemistry C","2013","1","","1144","1159","10.1039/C2TC00547F","","","0.71073","MoKα","","0.0878","0.0577","","0.1444","0.1296","","","","1.054","1.128","1.128","","","","","has coordinates","217056","2020-10-21","18:00:00",""
"7233140","10.7989","0.0002","21.0221","0.0004","17.132","0.0004","90","0.001","99.468","0.001","90","0.001","3836.25","0.14","173","2","173","2","","","","","","","James E. Harvey","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H56 B20 N4 S2 -","- C20 H56 B20 N4 S2 -","- C80 H224 B80 N16 S8 -","4","1","","Aleksandra Jankowiak; Andrzej Balinski; James E. Harvey; Kristein Mason; Adam Januszko; Piotr Kaszynski; Victor G. Young, Jr; Andre Persoons","[closo-B10H10]2- as a structural element for quadrupolar liquid crystals: a new class of liquid crystalline NLO chromophores","Journal of Materials Chemistry C","2013","1","","1144","1159","10.1039/C2TC00547F","","","0.71073","MoKα","","0.1031","0.058","","0.118","0.104","","","","1.059","1.165","1.165","","","","","has coordinates","217057","2020-10-21","18:00:00",""
"7233141","9.7645","0.0012","15.716","0.002","20.148","0.003","77.516","0.002","83.823","0.002","78.246","0.002","2948.9","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H47 B10 N O S -","- C22 H47 B10 N O S -","- C88 H188 B40 N4 O4 S4 -","4","2","","Aleksandra Jankowiak; Andrzej Balinski; James E. Harvey; Kristein Mason; Adam Januszko; Piotr Kaszynski; Victor G. Young, Jr; Andre Persoons","[closo-B10H10]2- as a structural element for quadrupolar liquid crystals: a new class of liquid crystalline NLO chromophores","Journal of Materials Chemistry C","2013","1","","1144","1159","10.1039/C2TC00547F","","","0.71073","MoKα","","0.1449","0.0905","","","0.2374","0.2834","","","","","","1.049","","","","has coordinates,has disorder","217058","2020-10-21","18:00:00",""
"7233142","10.3883","0.0001","10.3883","0.0001","37.2221","0.0006","90","","90","","120","","3478.73","0.07","293","","293","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","Tricalcium Phosphate:Mn","Tricalcium Phosphate:Mn","","- Ca28.85 Mn2.66 O84 P21 -","- Ca28.845 Mn2.655 O84 P21 -","- Ca57.69 Mn5.31 O168 P42 -","2","0.111111","","Aurelie Bessiere; Aurelie Lecointre; Rajia Ait Benhamou; Emmanuelle Suard; Gilles Wallez; Bruno Viana","How to induce red persistent luminescence in biocompatible Ca3(PO4)2","Journal of Materials Chemistry C","2013","1","","1252","1259","10.1039/C2TC00138A","powder diffraction","","1.59438","ConstantWavelengthNeutronDiffraction","","","","","","","","","2.9806","3.11","","","","","","","has coordinates","217059","2020-10-21","18:00:00",""
"7233143","9.795","0.005","9.798","0.005","19.81","0.005","95.148","0.005","97.711","0.005","118.407","0.005","1631.2","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H26 F10 Ir N8 P -","- C30 H26 F10 Ir N8 P -","- C60 H52 F20 Ir2 N16 P2 -","2","1","","Guo-Gang Shan; Hai-Bin Li; Hai-Zhu Sun; Dong-Xia Zhu; Hong-Tao Cao; Zhong-Min Su","Controllable synthesis of iridium(III)-based aggregation-induced emission and/or piezochromic luminescence phosphors by simply adjusting the substitution on ancillary ligands","Journal of Materials Chemistry C","2013","1","","1440","1449","10.1039/C2TC00558A","","","0.71069","MoKα","","0.1082","0.0993","","","0.2611","0.2662","","","","","","1.086","","","","has coordinates","217060","2020-10-21","18:00:00",""
"7233144","6.9519","0.0012","7.871","0.0013","38.831","0.007","90","","92.118","0.003","90","","2123.3","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,7-Bis-(pentafluorobenzoyl)-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Bis-(pentafluorobenzoyl)-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C24 H2 F10 O4 S2 -","- C24 H2 F10 O4 S2 -","- C96 H8 F40 O16 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0693","0.0429","","","0.0909","0.106","","","","","","1.048","","","","has coordinates","217061","2020-10-21","18:00:00",""
"7233145","8.542","0.0009","5.9376","0.0006","44.37","0.005","90","","93.56","0.002","90","","2246.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,7-Bis-(4-trifluoromethylbenzoyl)-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Bis-(4-trifluoromethylbenzoyl)-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C26 H10 F6 O4 S2 -","- C26 H10 F6 O4 S2 -","- C104 H40 F24 O16 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0739","0.0544","","","0.113","0.1221","","","","","","1.117","","","","has coordinates,has disorder","217062","2020-10-21","18:00:00",""
"7233146","11.659","0.007","16.482","0.009","22.503","0.013","75.532","0.011","89.384","0.013","87.65","0.011","4184","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,7-Bis-(3,5-di-trifluromethylbenzo-1-yl) -benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Bis-(3,5-di-trifluromethylbenzo-1-yl) -benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C28 H8 F12 O4 S2 -","- C28 H8 F12 O4 S2 -","- C168 H48 F72 O24 S12 -","6","3","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.1776","0.0974","","","0.2338","0.3094","","","","","","1.016","","","","has coordinates","217063","2020-10-21","18:00:00",""
"7233147","14.6242","0.001","17.9041","0.0013","21.1195","0.0015","90","","109.098","0.001","90","","5225.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2,7-Bis-(pentafluorobenzoyl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","2,7-Bis-(pentafluorobenzoyl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","","- C26 H8 F10 N2 O6 S2 -","- C26 H8 F10 N2 O6 S2 -","- C208 H64 F80 N16 O48 S16 -","8","2","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0463","0.0341","","","0.0796","0.0875","","","","","","1.006","","","","has coordinates","217064","2020-10-21","18:00:00",""
"7233148","10.3282","0.0009","7.4175","0.0007","34.636","0.003","90","","94.423","0.002","90","","2645.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2,7-Bis-(4-trifluoromethylbenzoyl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","2,7-Bis-(4-trifluoromethylbenzoyl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","","- C28 H16 F6 N2 O6 S2 -","- C28 H16 F6 N2 O6 S2 -","- C112 H64 F24 N8 O24 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0342","0.0308","","","0.079","0.0817","","","","","","1.031","","","","has coordinates,has disorder","217065","2020-10-21","18:00:00",""
"7233149","16.86","0.002","15.304","0.002","10.1282","0.0014","90","","124.484","0.002","90","","2154.1","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,7-Bis-(thiophen-2-oyl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","2,7-Bis-(thiophen-2-oyl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","","- C22 H14 N2 O6 S4 -","- C22 H14 N2 O6 S4 -","- C88 H56 N8 O24 S16 -","4","0.5","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0318","0.031","","","0.0846","0.0855","","","","","","1.103","","","","has coordinates,has disorder","217066","2020-10-21","18:00:00",""
"7233150","7.349","0.003","11.374","0.005","20.588","0.009","76.147","0.008","82.786","0.008","75.325","0.007","1612.5","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","2,7-Bis-(5-n-nonyl-thiophen-2-yl)-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Bis-(5-n-nonyl-thiophen-2-yl)-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C36 H44 O2 S4 -","- C36 H44 O2 S4 -","- C72 H88 O4 S8 -","2","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.1319","0.069","","","0.152","0.1801","","","","","","0.975","","","","has coordinates","217067","2020-10-21","18:00:00",""
"7233151","5.4624","0.001","34.996","0.006","14.787","0.003","90","","90","","90","","2826.7","0.9","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","2,7-Bis-(4-n-hexyl-thiophene-2-yl)-benzo[1,2-d:4,3-d']bis(thiazole)-4,5-dione","2,7-Bis-(4-n-hexyl-thiophene-2-yl)-benzo[1,2-d:4,3-d']bis(thiazole)-4,5-dione","","- C28 H30 N2 O2 S4 -","- C28 H30 N2 O2 S4 -","- C112 H120 N8 O8 S16 -","4","0.5","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0621","0.0385","","","0.0881","0.1019","","","","","","1.048","","","","has coordinates","217068","2020-10-21","18:00:00",""
"7233152","11.205","0.006","11.868","0.007","16.094","0.009","103.904","0.011","97.871","0.011","94.16","0.011","2046","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","2,7-Bis-(4-n-hexyl-5-trimethylsilylthiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis- (1,3-dioxolane)","2,7-Bis-(4-n-hexyl-5-trimethylsilylthiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis- (1,3-dioxolane)","","- C38 H54 N2 O4 S4 Si2 -","- C38 H54 N2 O4 S4 Si2 -","- C76 H108 N4 O8 S8 Si4 -","2","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0578","0.0441","","","0.1115","0.1223","","","","","","1.037","","","","has coordinates","217069","2020-10-21","18:00:00",""
"7233153","7.4786","0.0008","21.309","0.002","12.5339","0.0013","90","","94.645","0.002","90","","1990.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,7-Bis-(thiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","2,7-Bis-(thiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)-4,5-bis-(1,3-dioxolane)","","- C20 H14 N2 O4 S4 -","- C20 H14 N2 O4 S4 -","- C80 H56 N8 O16 S16 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0539","0.038","","","0.0886","0.0976","","","","","","1.043","","","","has coordinates","217070","2020-10-21","18:00:00",""
"7233154","40.227","0.008","7.2753","0.0015","20.654","0.004","90","","116.42","0.03","90","","5413","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2-(5-Pentafluorobenzoyl-thiophen-2-yl)-7-(thiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)- 4,5-bis-(1,3-dioxolane)","2-(5-Pentafluorobenzoyl-thiophen-2-yl)-7-(thiophen-2-yl) -benzo[1,2-d:4,3-d']bis(thiazole)- 4,5-bis-(1,3-dioxolane)","","- C27 H13 F5 N2 O5 S4 -","- C27 H13 F5 N2 O5 S4 -","- C216 H104 F40 N16 O40 S32 -","8","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.2616","0.1661","","","0.3989","0.4616","","","","","","1.401","","","","has coordinates","217071","2020-10-21","18:00:00",""
"7233155","5.3435","0.0004","20.1523","0.0015","24.6864","0.0018","90","","92.021","0.001","90","","2656.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-Bis-(thiophen-2-yl)-3,5-di-n-hexyl-4H-cyclopenta[1,2-b:5,4-b'] dithiophen-4-one","2,6-Bis-(thiophen-2-yl)-3,5-di-n-hexyl-4H-cyclopenta[1,2-b:5,4-b'] dithiophen-4-one","","- C29 H32 O S4 -","- C29 H32 O S4 -","- C116 H128 O4 S16 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0775","0.0535","","","0.1169","0.13","","","","","","1.028","","","","has coordinates,has disorder","217072","2020-10-21","18:00:00",""
"7233156","3.8903","0.0007","16.656","0.003","14.363","0.003","90","","95.947","0.003","90","","925.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,7-Difluoro-benzo[1,2-b:6,5-b']dithiophene-4,5-dione-4,5-dione","2,7-Difluoro-benzo[1,2-b:6,5-b']dithiophene-4,5-dione-4,5-dione","","- C10 H2 F2 O2 S2 -","- C10 H2 F2 O2 S2 -","- C40 H8 F8 O8 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0296","0.0267","","","0.0711","0.0739","","","","","","1.069","","","","has coordinates","217073","2020-10-21","18:00:00",""
"7233157","3.8509","0.0011","19.822","0.005","13.742","0.004","90","","92.669","0.006","90","","1047.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,7-Dichloro-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Dichloro-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C10 H2 Cl2 O2 S2 -","- C10 H2 Cl2 O2 S2 -","- C40 H8 Cl8 O8 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0904","0.0822","","","0.2282","0.2343","","","","","","1.225","","","","has coordinates","217074","2020-10-21","18:00:00",""
"7233158","21.681","0.0017","5.6778","0.0005","17.7679","0.0014","90","","104.249","0.001","90","","2119.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C10 H2 Br2 O2 S2 -","- C10 H2 Br2 O2 S2 -","- C80 H16 Br16 O16 S16 -","8","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0272","0.0221","","","0.0537","0.0559","","","","","","1.006","","","","has coordinates","217075","2020-10-21","18:00:00",""
"7233159","12.766","0.005","6.323","0.002","17.766","0.007","90","","92.054","0.005","90","","1433.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,7-Diiodo-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","2,7-Diiodo-benzo[1,2-b:6,5-b']dithiophene-4,5-dione","","- C10 H2 I2 O2 S2 -","- C10 H2 I2 O2 S2 -","- C40 H8 I8 O8 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0995","0.0938","","","0.2105","0.2127","","","","","","1.157","","","","has coordinates","217076","2020-10-21","18:00:00",""
"7233160","20.229","0.005","20.229","0.005","7.688","0.003","90","","90","","90","","3146","1.6","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-bis(ethyleneoxolane)","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-bis(ethyleneoxolane)","","- C14 H10 Br2 O4 S2 -","- C14 H10 Br2 O4 S2 -","- C112 H80 Br16 O32 S16 -","8","0.5","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0885","0.0468","","","0.1073","0.1347","","","","","","1.064","","","","has coordinates","217077","2020-10-21","18:00:00",""
"7233161","6.907","0.003","10.238","0.003","10.674","0.004","100.888","0.006","103.524","0.006","99.264","0.004","703.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2,7-Difluoro-benzo[1,2-b:6,5-b']dithiophene-4,5-bis-(ethyleneoxolane)","2,7-Difluoro-benzo[1,2-b:6,5-b']dithiophene-4,5-bis-(ethyleneoxolane)","","- C14 H10 F2 O4 S2 -","- C14 H10 F2 O4 S2 -","- C28 H20 F4 O8 S4 -","2","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0327","0.0282","","","0.0715","0.0746","","","","","","1.032","","","","has coordinates","217078","2020-10-21","18:00:00",""
"7233162","14.021","0.004","7.945","0.002","14.062","0.004","90","","95.009","0.007","90","","1560.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-bis-(1,3-dioxolane)","2,7-Dibromo-benzo[1,2-b:6,5-b']dithiophene-4,5-bis-(1,3-dioxolane)","","- C14 H10 Br2 O4 S2 -","- C14 H10 Br2 O4 S2 -","- C56 H40 Br8 O16 S8 -","4","1","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.026","0.0211","","","0.0524","0.0545","","","","","","1.017","","","","has coordinates","217079","2020-10-21","18:00:00",""
"7233163","7.2936","0.001","20.532","0.003","26.509","0.004","90","","90","","90","","3969.8","1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2,6-Dibromo-4H-cyclopenta[1,2-b:5,4-b']dithiophen-4-one","2,6-Dibromo-4H-cyclopenta[1,2-b:5,4-b']dithiophen-4-one","","- C9 H2 Br2 O S2 -","- C9 H2 Br2 O S2 -","- C144 H32 Br32 O16 S32 -","16","4","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0523","0.045","","","0.1054","0.109","","","","","","1.102","","","","has coordinates","217080","2020-10-21","18:00:00",""
"7233164","7.9083","0.0008","8.4393","0.0008","19.2066","0.0019","90","","92.076","0.002","90","","1281","0.2","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","2,7-Bis-(pentafluorobenzoyl)-benzo[1,2-b:6,5-b'] dithiophene-4,5-bis-(ethyleneoxolane)","2,7-Bis-(pentafluorobenzoyl)-benzo[1,2-b:6,5-b'] dithiophene-4,5-bis-(ethyleneoxolane)","","- C28 H10 F10 O6 S2 -","- C28 H10 F10 O6 S2 -","- C56 H20 F20 O12 S4 -","2","0.5","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.1061","0.0432","","","0.0593","0.0716","","","","","","0.816","","","","has coordinates","217081","2020-10-21","18:00:00",""
"7233165","37.478","0.002","7.0932","0.0004","14.7217","0.0008","90","","108.247","0.001","90","","3716.8","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","4,4'-Dibromo-2,2'-bis(4-hexyl-5-(trimethylsilyl)thiophen-2-yl)-5,5'-bithiazole","4,4'-Dibromo-2,2'-bis(4-hexyl-5-(trimethylsilyl)thiophen-2-yl)-5,5'-bithiazole","","- C32 H46 Br2 N2 S4 Si2 -","- C32 H46 Br2 N2 S4 Si2 -","- C128 H184 Br8 N8 S16 Si8 -","4","0.5","","Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder","Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport","Journal of Materials Chemistry C","2013","1","","1467","1481","10.1039/C2TC00805J","","","0.71073","MoKα","","0.0471","0.0356","","","0.092","0.0982","","","","","","1.051","","","","has coordinates","217082","2020-10-21","18:00:00",""
"7233174","8.194","0.002","16.337","0.005","31.464","0.008","90","","90","","90","","4212","2","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H20 N2 -","- C30 H20 N2 -","- C240 H160 N16 -","8","1","","Bilal R. Kaafarani; Ala'a O. El-Ballouli; Roman Trattnig; Alexandr Fonari; Stefan Sax; Brigitte Wex; Chad Risko; Rony S. Khnayzer; Stephen Barlow; Digambara Patra; Tatiana V. Timofeeva; Emil J. W. List; Jean-Luc Bredase; Seth R. Mardere","Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence","Journal of Materials Chemistry C","2013","1","","1638","1650","10.1039/C2TC00474G","","","0.71073","MoKα","","0.1234","0.0558","","","0.1121","0.1431","","","","","","1.004","","","","has coordinates","217106","2020-10-21","18:00:00",""
"7233175","16.051","0.01","11.186","0.007","11.531","0.007","90","","94.031","0.009","90","","2065","2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 H56 N2 -","- C52 H56 N2 -","- C104 H112 N4 -","2","0.5","","Bilal R. Kaafarani; Ala'a O. El-Ballouli; Roman Trattnig; Alexandr Fonari; Stefan Sax; Brigitte Wex; Chad Risko; Rony S. Khnayzer; Stephen Barlow; Digambara Patra; Tatiana V. Timofeeva; Emil J. W. List; Jean-Luc Bredase; Seth R. Mardere","Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence","Journal of Materials Chemistry C","2013","1","","1638","1650","10.1039/C2TC00474G","","","0.71073","MoKα","","0.0661","0.0501","","","0.1376","0.1578","","","","","","1.023","","","","has coordinates,has disorder","217107","2020-10-21","18:00:00",""
"7233176","13.167","0.005","13.192","0.005","8.213","0.003","90","","106.701","0.007","90","","1366.4","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 N2 -","- C40 H28 N2 -","- C80 H56 N4 -","2","0.5","","Bilal R. Kaafarani; Ala'a O. El-Ballouli; Roman Trattnig; Alexandr Fonari; Stefan Sax; Brigitte Wex; Chad Risko; Rony S. Khnayzer; Stephen Barlow; Digambara Patra; Tatiana V. Timofeeva; Emil J. W. List; Jean-Luc Bredase; Seth R. Mardere","Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence","Journal of Materials Chemistry C","2013","1","","1638","1650","10.1039/C2TC00474G","","","0.71073","MoKα","","0.0862","0.0448","","","0.0963","0.1147","","","","","","1.006","","","","has coordinates,has disorder","217108","2020-10-21","18:00:00",""
"7233177","17.743","0.002","10.9925","0.0013","11.3555","0.0014","90","","100.023","0.002","90","","2181","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 N2 -","- C56 H56 N2 -","- C112 H112 N4 -","2","0.5","","Bilal R. Kaafarani; Ala'a O. El-Ballouli; Roman Trattnig; Alexandr Fonari; Stefan Sax; Brigitte Wex; Chad Risko; Rony S. Khnayzer; Stephen Barlow; Digambara Patra; Tatiana V. Timofeeva; Emil J. W. List; Jean-Luc Bredase; Seth R. Mardere","Bis(carbazolyl) derivatives of pyrene and tetrahydropyrene: synthesis, structures, optical properties, electrochemistry, and electroluminescence","Journal of Materials Chemistry C","2013","1","","1638","1650","10.1039/C2TC00474G","","","0.71073","MoKα","","0.1318","0.0643","","","0.132","0.1566","","","","","","1.009","","","","has coordinates","217109","2020-10-21","18:00:00",""
"7233178","9.6242","0.0008","5.364","0.002","14.677","0.002","90","","105.87","0.01","90","","728.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N -","- C11 H7 N -","- C44 H28 N4 -","4","1","","Miriam Mas-Montoya; Rocio Ponce Ortiz; David Curiel; Arturo Espinosa; Magali Allain; Antonio Facchetti; Tobin J. Marks","Isomeric carbazolocarbazoles: synthesis, characterization and comparative study in Organic Field Effect Transistors","Journal of Materials Chemistry C","2013","1","","1959","1969","10.1039/C2TC00363E","","x-ray","0.71073","MoKα","","","0.067","","","","0.1347","","","","","","1.059","","","","has coordinates","217110","2020-10-21","18:00:00",""
"7233179","15.341","0.003","12.123","0.001","8.5232","0.0008","90","","96.53","0.01","90","","1574.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 N2 -","- C38 H46 N2 -","- C76 H92 N4 -","2","0.5","","Miriam Mas-Montoya; Rocio Ponce Ortiz; David Curiel; Arturo Espinosa; Magali Allain; Antonio Facchetti; Tobin J. Marks","Isomeric carbazolocarbazoles: synthesis, characterization and comparative study in Organic Field Effect Transistors","Journal of Materials Chemistry C","2013","1","","1959","1969","10.1039/C2TC00363E","","x-ray","0.71073","MoKα","","","0.0761","","","","0.1873","","","","","","1.066","","","","has coordinates","217111","2020-10-21","18:00:00",""
"7233180","7.6871","0.0005","9.4028","0.0006","11.9518","0.0009","68.803","0.005","87.124","0.006","73.605","0.006","771.38","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H38 N2 -","- C42 H38 N2 -","- C42 H38 N2 -","1","0.5","","Miriam Mas-Montoya; Rocio Ponce Ortiz; David Curiel; Arturo Espinosa; Magali Allain; Antonio Facchetti; Tobin J. Marks","Isomeric carbazolocarbazoles: synthesis, characterization and comparative study in Organic Field Effect Transistors","Journal of Materials Chemistry C","2013","1","","1959","1969","10.1039/C2TC00363E","","x-ray","0.71073","MoKα","","","0.0553","","","","0.1446","","","","","","1.022","","","","has coordinates","217112","2020-10-21","18:00:00",""
"7233181","13.8049","0.0017","12.2389","0.0016","25.979","0.004","90","","102.745","0.003","90","","4281.2","1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C49 H24 F8 -","- C49 H23 F8 -","- C196 H92 F32 -","4","1","","Zhanfeng Li; Bo Jiao; Zhaoxin Wu; Peng Liu; Lin Ma; Xiaoli Lei; Dongdong Wang; Guijiang Zhou; Huaiming Hu; Xun Hou","Fluorinated 9,9'-spirobifluorene derivatives as host materials for highly efficient blue organic light-emitting devices","Journal of Materials Chemistry C","2013","1","","2183","2192","10.1039/C3TC00466J","","","0.71073","MoKα","","0.2033","0.1003","","","0.2584","0.3356","","","","","","1.017","","","","has coordinates","217113","2020-10-21","18:00:00",""
"7233182","5.0554","0.0004","10.5514","0.0008","13.4788","0.001","100.067","0.002","94.337","0.002","92.778","0.002","704.49","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 O8 S2 -","- C32 H30 O8 S2 -","- C32 H30 O8 S2 -","1","0.5","","Chandrani Pramanik; Yushu Li; Anup Singh; Weimin Lin; Jennifer L. Hodgson; Jonathan B. Briggs; Simka Ellis; Peter Muller; Nicol E. McGruer; Glen P. Miller","Water soluble pentacene","Journal of Materials Chemistry C","2013","1","","2193","2201","10.1039/C3TC00278K","","","0.71073","MoKα","","0.0655","0.0489","","","0.141","0.1669","","","","","","0.748","","","","has coordinates","217114","2020-10-21","18:00:00",""
"7233183","9.2953","0.0019","26.199","0.005","9.9218","0.0017","90","","98.104","0.007","90","","2392.1","0.8","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O4 S2 -","- C28 H24 O4 S2 -","- C112 H96 O16 S8 -","4","1","","Chandrani Pramanik; Yushu Li; Anup Singh; Weimin Lin; Jennifer L. Hodgson; Jonathan B. Briggs; Simka Ellis; Peter Muller; Nicol E. McGruer; Glen P. Miller","Water soluble pentacene","Journal of Materials Chemistry C","2013","1","","2193","2201","10.1039/C3TC00278K","","","0.71073","MoKα","","0.0893","0.0456","","","0.0882","0.1036","","","","","","1.013","","","","has coordinates","217115","2020-10-21","18:00:00",""
"7233184","26.3406","0.0014","9.3058","0.0005","19.5502","0.0009","90","","105.696","0.003","90","","4613.5","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 N2 O S2 -","- C30 H18 N2 O S2 -","- C240 H144 N16 O8 S16 -","8","1","","Brodie L. Reid; Steven B. Briggs; Louise E. Karagiannidis; Sara Muzzioli; Paolo Raiteri; Mark E. Light; Stefano Stagni; Pierpaolo Brulatti; Philip A. Gale; Mark I. Ogdena; Massimiliano Massi","Blue emitting C2-symmetrical dibenzothiazolyl substituted pyrrole, furan and thiophene","Journal of Materials Chemistry C","2013","1","","2209","2216","10.1039/C3TC00760J","","","0.71073","MoKα","","0.196","0.1334","","","0.2508","0.2863","","","","","","1.074","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7233185","6.985","0.0001","20.4992","0.0005","10.7665","0.0003","90","","99.844","0.002","90","","1518.92","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H10 N2 S3 -","- C18 H10 N2 S3 -","- C72 H40 N8 S12 -","4","1","","Brodie L. Reid; Steven B. Briggs; Louise E. Karagiannidis; Sara Muzzioli; Paolo Raiteri; Mark E. Light; Stefano Stagni; Pierpaolo Brulatti; Philip A. Gale; Mark I. Ogdena; Massimiliano Massi","Blue emitting C2-symmetrical dibenzothiazolyl substituted pyrrole, furan and thiophene","Journal of Materials Chemistry C","2013","1","","2209","2216","10.1039/C3TC00760J","","","0.71073","MoKα","","0.0836","0.0601","","","0.1108","0.1224","","","","","","1.125","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7233186","10.557","0.005","33.014","0.01","10.957","0.003","90","","118.22","0.02","90","","3365","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 F12 Ir N4 P -","- C36 H22 F12 Ir N4 P -","- C144 H88 F48 Ir4 N16 P4 -","4","1","","Nail M. Shavaleev; Rosario Scopelliti; Michael Gratzel; Mohammad K. Nazeeruddin; Antonio Pertegas; Cristina Roldan-Carmona; Daniel Tordera; Henk J. Bolink","Pulsed-current versus constant-voltage light-emitting electrochemical cells with trifluoromethyl-substituted cationic iridium(III) complexes","Journal of Materials Chemistry C","2013","1","","2241","2248","10.1039/C3TC00808H","","","0.71073","MoKα","","0.0323","0.0277","","","0.0671","0.0703","","","","","","1.104","","","","has coordinates,has disorder","217118","2020-10-21","18:00:00",""
"7233187","19.198","0.003","68.958","0.01","11.0075","0.0012","90","","90","","90","","14572","3","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C38 H26 F12 Ir N4 P -","- C38 H26 F12 Ir N4 P -","- C608 H416 F192 Ir16 N64 P16 -","16","1","","Nail M. Shavaleev; Rosario Scopelliti; Michael Gratzel; Mohammad K. Nazeeruddin; Antonio Pertegas; Cristina Roldan-Carmona; Daniel Tordera; Henk J. Bolink","Pulsed-current versus constant-voltage light-emitting electrochemical cells with trifluoromethyl-substituted cationic iridium(III) complexes","Journal of Materials Chemistry C","2013","1","","2241","2248","10.1039/C3TC00808H","","","0.71073","MoKα","","0.0181","0.0168","","","0.0359","0.0364","","","","","","1.124","","","","has coordinates","217119","2020-10-21","18:00:00",""
"7233188","13.44","0.003","13.5222","0.0013","26.448","0.006","90","","91.526","0.016","90","","4804.9","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 F12 Ir N4 P -","- C42 H38 F12 Ir N4 P -","- C168 H152 F48 Ir4 N16 P4 -","4","1","","Nail M. Shavaleev; Rosario Scopelliti; Michael Gratzel; Mohammad K. Nazeeruddin; Antonio Pertegas; Cristina Roldan-Carmona; Daniel Tordera; Henk J. Bolink","Pulsed-current versus constant-voltage light-emitting electrochemical cells with trifluoromethyl-substituted cationic iridium(III) complexes","Journal of Materials Chemistry C","2013","1","","2241","2248","10.1039/C3TC00808H","","","0.71073","MoKα","","0.0829","0.0629","","","0.1552","0.1679","","","","","","1.08","","","","has coordinates","217120","2020-10-21","18:00:00",""
"7233190","10.532","0.003","11.391","0.004","11.792","0.004","89.01","0.03","68.18","0.02","83.4","0.02","1304.1","0.8","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N O P -","- C32 H34 N O P -","- C64 H68 N2 O2 P2 -","2","1","","Atsushi Wada; Takuma Yasuda; Qisheng Zhang; Yu Seok Yang; Isao Takasu; Shintaro Enomoto; Chihaya Adachi","A host material consisting of a phosphinic amide directly linked donor-acceptor structure for efficient blue phosphorescent organic light-emitting diodes","Journal of Materials Chemistry C","2013","1","","2404","2407","10.1039/C3TC00939D","","","1.54187","CuKα","","","0.0568","","","","0.1317","","","","","","0.949","","","","has coordinates","217140","2020-10-21","18:00:00",""
"7233191","9.984","0.006","8.89","0.005","10.791","0.007","90","","99.593","0.009","90","","944.4","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C36 H44 N8 O12 -","2","0.5","","Zhihua Sun; Xinqiang Wang; Junhua Luo; Shuquan Zhang; Daqiang Yuan; Maochun Hong","Ferroelastic phase transition and switchable dielectric behavior associated with ordering of molecular motion in a perovskite-like architectured supramolecular cocrystal","Journal of Materials Chemistry C","2013","1","","2561","2567","10.1039/C3TC30166D","","","0.71073","MoKα","","0.0569","0.0461","","","0.1303","0.139","","","","","","1.068","","","","has coordinates","217141","2020-10-21","18:00:00",""
"7233192","9.805","0.005","13.762","0.006","13.774","0.007","80.039","0.013","83.93","0.009","84.024","0.011","1813.3","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C72 H88 N16 O24 -","4","2","","Zhihua Sun; Xinqiang Wang; Junhua Luo; Shuquan Zhang; Daqiang Yuan; Maochun Hong","Ferroelastic phase transition and switchable dielectric behavior associated with ordering of molecular motion in a perovskite-like architectured supramolecular cocrystal","Journal of Materials Chemistry C","2013","1","","2561","2567","10.1039/C3TC30166D","","","0.71073","MoKα","","0.1829","0.1768","","","0.4157","0.4191","","","","","","1.089","","","","has coordinates","217142","2020-10-21","18:00:00",""
"7233193","9.785","0.002","13.7474","0.0018","13.7474","0.0018","80.157","0.014","84.13","0.02","84.13","0.02","1805.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C72 H88 N16 O24 -","4","2","","Zhihua Sun; Xinqiang Wang; Junhua Luo; Shuquan Zhang; Daqiang Yuan; Maochun Hong","Ferroelastic phase transition and switchable dielectric behavior associated with ordering of molecular motion in a perovskite-like architectured supramolecular cocrystal","Journal of Materials Chemistry C","2013","1","","2561","2567","10.1039/C3TC30166D","","","0.71073","MoKα","","0.1193","0.105","","","0.2386","0.2449","","","","","","1.184","","","","has coordinates","217143","2020-10-21","18:00:00",""
"7233194","9.951","0.002","12.281","0.003","15.068","0.003","64.411","0.007","75.445","0.012","76.456","0.011","1590.8","0.6","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H88 Cl2 N4 O12 Pd -","- C66 H88 Cl2 N4 O12 Pd -","- C66 H88 Cl2 N4 O12 Pd -","1","0.5","","Tomohiro Hirade; Yumi Okui; Mina Han","A design strategy for stable light-sensitive palladium complexes","Journal of Materials Chemistry C","2013","1","","2672","2679","10.1039/C3TC00779K","","","0.7107","MoKα","","","0.0269","","","","0.0776","","","","","","1.018","","","","has coordinates","217144","2020-10-21","18:00:00",""
"7233195","7.682","0.005","27.931","0.019","12.387","0.009","90","","97.151","0.008","90","","2637","3","163.1","","163","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C30 H38 N2 O2 -","- C30 H38 N2 O2 -","- C120 H152 N8 O8 -","4","1","","Tomohiro Hirade; Yumi Okui; Mina Han","A design strategy for stable light-sensitive palladium complexes","Journal of Materials Chemistry C","2013","1","","2672","2679","10.1039/C3TC00779K","","","0.7107","MoKα","","","0.1166","","","","0.3781","","","","","","1.354","","","","has coordinates","217145","2020-10-21","18:00:00",""
"7233196","8.0239","0.0013","8.2206","0.001","19.4355","0.0017","78.047","0.016","85.5","0.02","86.15","0.02","1248.6","0.3","113","","113","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H36 N2 O2 -","- C29 H36 N2 O2 -","- C58 H72 N4 O4 -","2","1","","Tomohiro Hirade; Yumi Okui; Mina Han","A design strategy for stable light-sensitive palladium complexes","Journal of Materials Chemistry C","2013","1","","2672","2679","10.1039/C3TC00779K","","","0.7107","MoKα","","","0.068","","","","0.1833","","","","","","0.86","","","","has coordinates","217146","2020-10-21","18:00:00",""
"7233197","16.463","0.0005","14.2801","0.0004","21.6052","0.0007","90","","99.901","0.002","90","","5003.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","tris(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate) mono(bathophenanthroline)erbium(III)","","- C48 H46 Er F9 N2 O6 -","- C48 H46 Er F9 N2 O6 -","- C192 H184 Er4 F36 N8 O24 -","4","1","","Pablo Martin-Ramos; Manuela Ramos Silva; Carmen Coya; Carlos Zaldo; Angel Luis Alvarez; Susana Alvarez-Garcia; Ana M. Matos Beja; Jesus Martin-Gil","Novel erbium(III) fluorinated beta-diketonate complexes with N,N-donors for optoelectronics: from synthesis to solution-processed devices","Journal of Materials Chemistry C","2013","1","","2725","2734","10.1039/C3TC00649B","","","0.71073","MoKα","","0.1331","0.0519","","","0.0969","0.1248","","","","","","0.943","","","","has coordinates","217147","2020-10-21","18:00:00",""
"7233198","14.2828","0.0004","16.986","0.0005","18.2384","0.0005","90","","109.558","0.0011","90","","4169.5","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tris(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate) mono(5-nitro-1,10-phenanthroline)erbium(III)","","- C36 H36 Er F9 N3 O8 -","- C36 H36 Er F9 N3 O8 -","- C144 H144 Er4 F36 N12 O32 -","4","1","","Pablo Martin-Ramos; Manuela Ramos Silva; Carmen Coya; Carlos Zaldo; Angel Luis Alvarez; Susana Alvarez-Garcia; Ana M. Matos Beja; Jesus Martin-Gil","Novel erbium(III) fluorinated beta-diketonate complexes with N,N-donors for optoelectronics: from synthesis to solution-processed devices","Journal of Materials Chemistry C","2013","1","","2725","2734","10.1039/C3TC00649B","","","0.71073","MoKα","","0.0865","0.0436","","","0.0959","0.1122","","","","","","1.009","","","","has coordinates,has disorder","217148","2020-10-21","18:00:00",""
"7233199","9.6862","0.0005","12.0313","0.0006","18.1634","0.001","100.086","0.003","103.81","0.003","101.682","0.003","1956.59","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","tris(1,1,1-trifluoro-5,5-dimethyl-2,4-hexanedionate) mono(bipyridine)erbium(III)","","- C34 H38 Er F9 N2 O6 -","- C34 H38 Er F9 N2 O6 -","- C68 H76 Er2 F18 N4 O12 -","2","1","","Pablo Martin-Ramos; Manuela Ramos Silva; Carmen Coya; Carlos Zaldo; Angel Luis Alvarez; Susana Alvarez-Garcia; Ana M. Matos Beja; Jesus Martin-Gil","Novel erbium(III) fluorinated beta-diketonate complexes with N,N-donors for optoelectronics: from synthesis to solution-processed devices","Journal of Materials Chemistry C","2013","1","","2725","2734","10.1039/C3TC00649B","","","0.71073","MoKα","","0.064","0.0442","","","0.1061","0.1203","","","","","","1.024","","","","has coordinates","217149","2020-10-21","18:00:00",""
"7233200","6.7671","0.0003","10.0846","0.0005","12.0321","0.0006","98.99","0.002","106.294","0.002","104.765","0.003","738.8","0.06","100","","100","","","","","","","","Synthesized by the authors. See text","2","P -1","-P 1","2","","","","- C40 H42 -","- C40 H42 -","- C40 H42 -","1","0.5","","Afshin Dadvand; Wei-Hsin Sun; Andrey G. Moiseev; Francine Belanger-Gariepy; Federico Rosei; Hong Meng; Dmitrii F. Perepichka","1,5-, 2,6- and 9,10-distyrylanthracenes as luminescent organic semiconductors","Journal of Materials Chemistry C","2013","1","","2817","2825","10.1039/C3TC30247D","","","1.54178","CuKα","","0.0749","0.0649","","","0.1836","0.1918","","","","","","1.06","","","","has coordinates","217151","2020-10-21","18:00:00",""
"7233201","6.5844","0.0003","9.2194","0.0003","13.5405","0.0005","100.098","0.0016","99.8398","0.0018","105.709","0.0016","758.05","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","2","P -1","-P 1","2","","","","- C40 H42 -","- C40 H42 -","- C40 H42 -","1","0.5","","Afshin Dadvand; Wei-Hsin Sun; Andrey G. Moiseev; Francine Belanger-Gariepy; Federico Rosei; Hong Meng; Dmitrii F. Perepichka","1,5-, 2,6- and 9,10-distyrylanthracenes as luminescent organic semiconductors","Journal of Materials Chemistry C","2013","1","","2817","2825","10.1039/C3TC30247D","","","1.54178","CuKα","","0.0568","0.0532","","","0.1582","0.1636","","","","","","1.028","","","","has coordinates","217152","2020-10-21","18:00:00",""
"7233202","10.6775","0.0007","5.5932","0.0004","26.003","0.0017","90","","91.474","0.001","90","","1552.42","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N6 O2 -","- C16 H18 N6 O2 -","- C64 H72 N24 O8 -","4","1","","Yixing Yang; Pamela Cohn; Sang-Hyun Eom; Khalil A. Abboud; Ronald K. Castellano; Jiangeng Xue","Ultraviolet-violet electroluminescence from highly fluorescent purines","Journal of Materials Chemistry C","2013","1","","2867","2874","10.1039/C3TC00734K","","","0.71073","MoKα","","0.0541","0.0394","","","0.0954","0.1004","","","","","","1.037","","","","has coordinates","217153","2020-10-21","18:00:00",""
"7233203","30.895","0.007","6.2288","0.0017","7.8286","0.0016","90","","94.063","0.018","90","","1502.7","0.6","298.1","","298.1","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 S6 -","- C14 H8 S6 -","- C56 H32 S24 -","4","1","","Tomoyuki Kakinuma; Hirotaka Kojima; Tadashi Kawamoto; Takehiko Mori","Giant phototransistor response in dithienyltetrathiafulvalene derivatives","Journal of Materials Chemistry C","2013","1","","2900","2905","10.1039/C3TC30089G","","","0.71069","MoKα","","","0.0559","","","","0.1509","","","","","","1.054","","","","has coordinates","217154","2020-10-21","18:00:00",""
"7233204","17.71","0.006","6.1607","0.0012","10.744","0.004","90","","100.39","0.03","90","","1153","0.6","293.1","","293.1","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 S6 -","- C22 H24 S6 -","- C44 H48 S12 -","2","0.5","","Tomoyuki Kakinuma; Hirotaka Kojima; Tadashi Kawamoto; Takehiko Mori","Giant phototransistor response in dithienyltetrathiafulvalene derivatives","Journal of Materials Chemistry C","2013","1","","2900","2905","10.1039/C3TC30089G","","","0.71069","MoKα","","","0.0807","","","","0.1768","","","","","","1.052","","","","has coordinates","217155","2020-10-21","18:00:00",""
"7233205","5.286","0.0007","5.286","0.0007","9.066","0.0018","90","","90","","90","","253.32","0.07","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- Cd Mo O6 Te -","- Cd Mo O6 Te -","- Cd2 Mo2 O12 Te2 -","2","0.25","","Sangen Zhao; Xingxing Jiang; Ran He; Shu-quan Zhang; Zhihua Sun; Junhua Luo; Zheshuai Lin; Maochun Honga","A combination of multiple chromophores enhances second-harmonic generation in a nonpolar noncentrosymmetric oxide: CdTeMoO6","Journal of Materials Chemistry C","2013","1","","2906","2912","10.1039/C3TC30151F","","","0.71073","MoKα","","0.0156","0.0147","","","0.0348","0.0354","","","","","","1.034","","","","has coordinates","288221","2023-12-11","22:20:44",""
"7233206","9.7802","0.0012","11.724","0.0015","15.3546","0.0019","92.77","0.002","93.282","0.002","114.31","0.002","1596.9","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","Ir(ppy)2(iPr2gua)","","","- C35 H44 Ir N5 -","- C35 H44 Ir N5 -","- C70 H88 Ir2 N10 -","2","1","","Tai Peng; Guomeng Li; Kaiqi Ye; Chenguang Wang; Shanshan Zhao; Yu Liu; Zhaomin Hou; Yue Wang","Highly efficient phosphorescent OLEDs with host-independent and concentration-insensitive properties based on a bipolar iridium complex","Journal of Materials Chemistry C","2013","1","","2920","2926","10.1039/C3TC00500C","","","0.71073","MoKα","","0.033","0.0302","","","0.0739","0.0748","","","","","","1.017","","","","has coordinates","217157","2020-10-21","18:00:00",""
"7233214","9.7487","0.0011","13.1235","0.0018","15.369","0.002","107.494","0.013","98.048","0.011","110.541","0.012","1688.5","0.5","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","N-(4-(3,5-dimethylpyrazol-4-yl)phenyl)benzamide_methanol_solvate","","- C19 H21 N3 O2 -","- C19 H20 N3 O2 -","- C76 H80 N12 O8 -","4","2","","Sandra Moyano; Joaquin Barbera; Beatriz E. Diosdado; Jose Luis Serrano; Anabel Elduque; Raquel Gimenez","Self-assembly of 4-aryl-1H-pyrazoles as a novel platform for luminescent supramolecular columnar liquid crystals","Journal of Materials Chemistry C","2013","1","","3119","3128","10.1039/C3TC30174E","","","0.71073","MoKα","","0.1605","0.0738","","","0.143","0.1831","","","","","","0.995","","","","has coordinates","217166","2020-10-21","18:00:00",""
"7233215","8.029","0.0003","18.9754","0.0009","13.3607","0.0005","90","","106.218","0.004","90","","1954.55","0.14","290","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 N4 O4 -","- C23 H20 N4 O4 -","- C92 H80 N16 O16 -","4","1","","Guo-Ping Yong; Yu-Mei Zhao; Ya Feng; Xue-Rui Zhang","Stacking-induced broadband near-infrared absorption beyond 2500 nm and deep-red phosphorescence from purely organic radicals","Journal of Materials Chemistry C","2013","1","","3395","3398","10.1039/C3TC30438H","","","1.54184","CuKα","","0.0992","0.0841","","","0.2162","0.2295","","","","","","1.052","","","","has coordinates","217167","2020-10-21","18:00:00",""
"7233216","32.6356","0.0016","8.5232","0.0003","15.46","0.0009","90","","116.224","0.005","90","","3857.7","0.4","290","2","290","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N5 O4 -","- C22 H19 N5 O4 -","- C176 H152 N40 O32 -","8","1","","Guo-Ping Yong; Yu-Mei Zhao; Ya Feng; Xue-Rui Zhang","Stacking-induced broadband near-infrared absorption beyond 2500 nm and deep-red phosphorescence from purely organic radicals","Journal of Materials Chemistry C","2013","1","","3395","3398","10.1039/C3TC30438H","","","1.54184","CuKα","","0.042","0.0362","","","0.0955","0.1011","","","","","","1.048","","","","has coordinates","217168","2020-10-21","18:00:00",""
"7233217","17.064","0.019","3.894","0.004","25.72","0.03","90","","108.82","0.015","90","","1618","3","173.1","","173.1","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H8 N2 S4 -","- C20 H8 N2 S4 -","- C80 H32 N8 S16 -","4","1","","Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives","Journal of Materials Chemistry C","2013","1","","3467","3481","10.1039/C3TC30346B","","","0.7107","MoKα","","","0.113","","","","0.2638","","","","","","1.257","","","","has coordinates","217169","2020-10-21","18:00:00",""
"7233218","12.5806","0.0012","4.8247","0.0005","13.7178","0.0013","90","","96.563","0.002","90","","827.18","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H8 N2 S4 -","- C20 H8 N2 S4 -","- C40 H16 N4 S8 -","2","1","","Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives","Journal of Materials Chemistry C","2013","1","","3467","3481","10.1039/C3TC30346B","","","0.71073","MoKα","","0.0533","0.0502","","","0.134","0.137","","","","","","1.175","","","","has coordinates","217170","2020-10-21","18:00:00",""
"7233219","11.247","0.005","5.014","0.002","14.169","0.006","90","","91.668","0.007","90","","798.7","0.6","173.1","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 N2 S4 -","- C20 H8 N2 S4 -","- C40 H16 N4 S8 -","2","0.5","","Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives","Journal of Materials Chemistry C","2013","1","","3467","3481","10.1039/C3TC30346B","","","0.7107","MoKα","","","0.0456","","","","0.1027","","","","","","1.101","","","","has coordinates","217171","2020-10-21","18:00:00",""
"7233220","4.8942","0.0014","12.751","0.003","17.057","0.005","76.147","0.011","84.81","0.013","72.178","0.01","983.7","0.5","123.1","","123.1","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H56 N2 S4 -","- C44 H55.88 N2 S4 -","- C44 H55.88 N2 S4 -","1","0.5","","Yongfa Xie; Takuya Fujimoto; Simon Dalgleish; Yoshiaki Shuku; Michio M. Matsushita; Kunio Awaga","Synthesis, optical properties and charge transport characteristics of a series of novel thiophene-fused phenazine derivatives","Journal of Materials Chemistry C","2013","1","","3467","3481","10.1039/C3TC30346B","","","0.7107","MoKα","","","0.0627","","","","0.0718","","","","","","1.427","","","","has coordinates","217172","2020-10-21","18:00:00",""
"7233221","11.0893","0.0019","15.523","0.002","15.895","0.003","90","","105.15","0.017","90","","2641.1","0.8","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H35 N2 O1.5 -","- C31 H35 N2 O1.5 -","- C124 H140 N8 O6 -","4","1","","Ross D. Jansen-van Vuuren; Almantas Pivrikas; Ajay K. Pandey; Paul L. Burn","Colour selective organic photodetectors utilizing ketocyanine-cored dendrimers","Journal of Materials Chemistry C","2013","1","","3532","3543","10.1039/C3TC30472H","","x-ray","1.5418","CuKα","","0.0846","0.0392","","","0.0886","0.0972","","","","","","0.763","","","","has coordinates","217173","2020-10-21","18:00:00",""
"7233222","10.669","0.002","4.4434","0.0009","4.2996","0.0009","90","","90","","90","","203.83","0.07","153.15","","153.15","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- B3 Be La O7 -","- B3 Be La O7 -","- B6 Be2 La2 O14 -","2","0.5","","Xue Yan; Siyang Luo; Zheshuai Lin; Yinchao Yue; Xiaoyang Wang; Lijuan Liuab; Chuangtian Chenab","LaBeB3O7: a new phase-matchable nonlinear optical crystal exclusively containing the tetrahedral XO4 (X = B and Be) anionic groups","Journal of Materials Chemistry C","2013","1","","3616","3622","10.1039/C3TC30294F","","","0.71073","MoKα","","0.0292","0.0289","","","0.0645","0.0646","","","","","","1.096","","","","has coordinates","217174","2020-10-21","18:00:00",""
"7233434","15.03","0.004","15.677","0.004","19.167","0.004","91.365","0.003","93.191","0.003","106.915","0.003","4310.4","1.8","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C148 H112 Ag2 Cl2 Eu2 F36 N6 O22 P6 Pt -","- C140 H92 Ag2 Cl2 Eu2 F36 N6 O20 P6 Pt -","- C140 H92 Ag2 Cl2 Eu2 F36 N6 O20 P6 Pt -","1","0.5","","Jia Li; Jin-Yun Wang; Zhong-Ning Chen","Sensitized EuIII luminescence through energy transfer from PtM2 (M = Ag or Au) alkynyl chromophores in PtM2Eu2 heteropentanuclear complexes","Journal of Materials Chemistry C","2013","1","","3661","3668","10.1039/C3TC30474D","","","0.71073","MoKα","","0.0716","0.0592","","","0.1587","0.1701","","","","","","1.064","","","","has coordinates,has disorder","217704","2020-10-21","18:00:00",""
"7233435","12.3652","0.0001","16.9603","0.0002","26.9859","0.0002","106.747","0.007","95.282","0.012","101.088","0.008","5252.3","0.4","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C156 H132 Au2 Cl2 Eu2 F36 N6 O24 P6 Pt -","- C140 H92 Au2 Cl2 Eu2 F36 N6 O20 P6 Pt -","- C140 H92 Au2 Cl2 Eu2 F36 N6 O20 P6 Pt -","1","0.5","","Jia Li; Jin-Yun Wang; Zhong-Ning Chen","Sensitized EuIII luminescence through energy transfer from PtM2 (M = Ag or Au) alkynyl chromophores in PtM2Eu2 heteropentanuclear complexes","Journal of Materials Chemistry C","2013","1","","3661","3668","10.1039/C3TC30474D","","","0.71073","MoKα","","0.0708","0.057","","","0.1409","0.1509","","","","","","1.006","","","","has coordinates,has disorder","217705","2020-10-21","18:00:00",""
"7233436","31.227","0.007","9.785","0.002","21.174","0.005","90","","109.053","0.002","90","","6115","2","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 N2 -","- C46 H30 N2 -","- C368 H240 N16 -","8","2","","Jian-Yong Hu; Yong-Jin Pu; Yusuke Yamashita; Fumiya Satoh; So Kawata; Hiroshi Katagiri; Hisahiro Sasabe; Junji Kido","Excimer-emitting single molecules with stacked p-conjugated groups covalently linked at the 1,8-positions of naphthalene for highly efficient blue and green OLEDs","Journal of Materials Chemistry C","2013","1","","3871","3878","10.1039/C3TC30319E","","","0.71075","MoKα","","0.049","0.0436","","","0.1069","0.112","","","","","","1.076","","","","has coordinates","217706","2020-10-21","18:00:00",""
"7233437","5.72937","0.00017","7.48221","0.00019","25.6222","0.0007","90","","97.8031","0.0018","90","","1088.21","0.05","93","","93","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 O2 -","- C32 H22 O2 -","- C64 H44 O4 -","2","0.5","","Kazuaki Oniwa; Thangavel Kanagasekaran; Tienan Jin; Md. Akhtaruzzaman; Yoshinori Yamamoto; Hiroyuki Tamura; Ikutaro Hamada; Hidekazu Shimotani; Naoki Asao; Susumu Ikeda; Katsumi Tanigaki","Single crystal biphenyl end-capped furan-incorporated oligomers: influence of unusual packing structure on carrier mobility and luminescence","Journal of Materials Chemistry C","2013","1","","4163","4170","10.1039/C3TC30220B","","","1.54187","CuKα","","","0.0402","","","","0.1081","","","","","","1.088","","","","has coordinates","217707","2020-10-21","18:00:00",""
"7233438","5.7894","0.0002","7.6083","0.0004","49.676","0.003","87.332","0.004","89.233","0.003","89.946","0.004","2185.54","0.19","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H22 O S -","- C32 H22 O S -","- C128 H88 O4 S4 -","4","2","","Kazuaki Oniwa; Thangavel Kanagasekaran; Tienan Jin; Md. Akhtaruzzaman; Yoshinori Yamamoto; Hiroyuki Tamura; Ikutaro Hamada; Hidekazu Shimotani; Naoki Asao; Susumu Ikeda; Katsumi Tanigaki","Single crystal biphenyl end-capped furan-incorporated oligomers: influence of unusual packing structure on carrier mobility and luminescence","Journal of Materials Chemistry C","2013","1","","4163","4170","10.1039/C3TC30220B","","","1.54186","CuKα","","","0.101","","","","0.2954","","","","","","1.078","","","","has coordinates","217708","2020-10-21","18:00:00",""
"7233439","15.5322","0.0005","15.6498","0.0005","17.2181","0.0009","88.714","0.006","85.179","0.006","81.898","0.005","4128.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C160 H160 Cu8 I8 N8 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","0.71073","MoKα","","0.0483","0.0403","","","0.1179","0.1256","","","","","","0.997","","","","has coordinates","217709","2020-10-21","18:00:00",""
"7233440","15.3088","0.0005","15.5278","0.0007","16.9897","0.0008","89.042","0.005","85.531","0.006","81.924","0.004","3986.4","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H83 Cu4 I4 N5 P4 -","- C82 H83 Cu4 I4 N5 P4 -","- C164 H166 Cu8 I8 N10 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","0.71073","MoKα","","0.0508","0.0491","","","0.1673","0.169","","","","","","1.073","","","","has coordinates","217710","2020-10-21","18:00:00",""
"7233441","15.3491","0.0004","15.4845","0.0004","16.9896","0.0004","88.448","0.002","85.496","0.002","81.231","0.002","3977.98","0.18","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C160 H160 Cu8 I8 N8 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","1.54184","CuKα","","0.0289","0.0229","","","0.0549","0.0582","","","","","","0.987","","","","has coordinates","217711","2020-10-21","18:00:00",""
"7233442","15.3594","0.0004","15.4883","0.0004","16.9959","0.0005","88.447","0.002","85.484","0.002","81.238","0.002","3983.11","0.19","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C160 H160 Cu8 I8 N8 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","1.54184","CuKα","","0.0321","0.0257","","","0.0659","0.076","","","","","","1.072","","","","has coordinates","217712","2020-10-21","18:00:00",""
"7233443","15.3915","0.0003","15.5053","0.0004","17.0242","0.0004","88.46","0.002","85.486","0.002","81.26","0.002","4002.73","0.16","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C160 H160 Cu8 I8 N8 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","1.54184","CuKα","","0.0307","0.0238","","","0.0571","0.061","","","","","","0.984","","","","has coordinates","217713","2020-10-21","18:00:00",""
"7233444","15.4242","0.0003","15.5207","0.0004","17.0532","0.0004","88.46","0.002","85.455","0.002","81.274","0.002","4022.04","0.16","230","2","230","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C160 H160 Cu8 I8 N8 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","1.54184","CuKα","","0.0339","0.0258","","","0.0601","0.069","","","","","","1.03","","","","has coordinates","217714","2020-10-21","18:00:00",""
"7233445","15.4577","0.0003","15.5354","0.0004","17.0827","0.0004","88.465","0.002","85.427","0.002","81.285","0.002","4041.54","0.16","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C160 H160 Cu8 I8 N8 P8 -","2","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","1.54184","CuKα","","0.0375","0.0273","","","0.0611","0.0668","","","","","","0.989","","","","has coordinates","217715","2020-10-21","18:00:00",""
"7233446","13.722","0.003","25.304","0.006","27.966","0.007","90","","98.81","0.006","90","","9596","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C320 H320 Cu16 I16 N16 P16 -","4","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","0.71073","MoKα","","0.0955","0.0653","","","0.1838","0.2097","","","","","","1.014","","","","has coordinates","217716","2020-10-21","18:00:00",""
"7233447","13.663","0.002","25.134","0.004","28.011","0.005","90","","98.145","0.003","90","","9522","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C80 H80 Cu4 I4 N4 P4 -","- C80 H80 Cu4 I4 N4 P4 -","- C320 H320 Cu16 I16 N16 P16 -","4","1","","Xiao-Chen Shan; Fei-Long Jiang; Lian Chen; Ming-Yan Wu; Jie Pan; Xiu-Yan Wan; Mao-Chun Hong","Using cuprophilicity as a multi-responsive chromophore switching color in response to temperature, mechanical force and solvent vapors","Journal of Materials Chemistry C","2013","1","","4339","4349","10.1039/C3TC30482E","","","0.71073","MoKα","","0.0645","0.0494","","","0.1523","0.1686","","","","","","0.992","","","","has coordinates","217717","2020-10-21","18:00:00",""
"7233448","5.416","0.0004","16.0287","0.0012","18.689","0.0018","115.342","0.002","91.826","0.004","94.608","0.003","1457.6","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C36 H42 O2 -","- C36 H42 O2 -","- C72 H84 O4 -","2","2","","Ori Gidron; Afshin Dadvand; Emily Wei-Hsin Sun; Insik Chung; Linda J. W. Shimon; Michael Bendikov; Dmitrii F. Perepichka","Oligofuran-containing molecules for organic electronics","Journal of Materials Chemistry C","2013","1","","4358","4367","10.1039/C3TC00079F","","","0.71073","MoKα","","0.0726","0.0442","","","0.0824","0.0929","","","","","","1.005","","","","has coordinates","217718","2020-10-21","18:00:00",""
"7233449","10.9321","0.0011","17.289","0.0014","21.859","0.002","74.282","0.005","80.472","0.005","82.288","0.006","3904.7","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Cu P3 S -","- C48 H38 Cu P3 S -","- C192 H152 Cu4 P12 S4 -","4","2","","Masahisa Osawa; Isao Kawata; Ryuji Ishii; Satoshi Igawa; Masashi Hashimoto; Mikio Hoshino","Application of neutral d10 coinage metal complexes with an anionic bidentate ligand in delayed fluorescence-type organic light-emitting diodes","Journal of Materials Chemistry C","2013","1","","4375","4383","10.1039/C3TC30524D","","","0.71073","MoKα","","0.1108","0.0723","","","0.1604","0.1838","","","","","","1.098","","","","has coordinates","217719","2020-10-21","18:00:00",""
"7233450","10.8301","0.0006","12.0774","0.0006","15.888","0.0009","72.281","0.002","88.762","0.002","81.29","0.002","1956.06","0.18","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Ag P3 S -","- C48 H38 Ag P3 S -","- C96 H76 Ag2 P6 S2 -","2","1","","Masahisa Osawa; Isao Kawata; Ryuji Ishii; Satoshi Igawa; Masashi Hashimoto; Mikio Hoshino","Application of neutral d10 coinage metal complexes with an anionic bidentate ligand in delayed fluorescence-type organic light-emitting diodes","Journal of Materials Chemistry C","2013","1","","4375","4383","10.1039/C3TC30524D","","","0.71073","MoKα","","0.073","0.0433","","","0.1031","0.1305","","","","","","1.05","","","","has coordinates","217720","2020-10-21","18:00:00",""
"7233451","10.8554","0.0018","12.0178","0.0018","15.617","0.002","73.052","0.006","88.148","0.009","80.401","0.007","1921.3","0.5","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 Au P3 S -","- C48 H38 Au P3 S -","- C96 H76 Au2 P6 S2 -","2","1","","Masahisa Osawa; Isao Kawata; Ryuji Ishii; Satoshi Igawa; Masashi Hashimoto; Mikio Hoshino","Application of neutral d10 coinage metal complexes with an anionic bidentate ligand in delayed fluorescence-type organic light-emitting diodes","Journal of Materials Chemistry C","2013","1","","4375","4383","10.1039/C3TC30524D","","","0.71073","MoKα","","0.0619","0.0491","","","0.0832","0.0908","","","","","","1.076","","","","has coordinates","217721","2020-10-21","18:00:00",""
"7233452","9.4123","0.0007","12.9289","0.001","14.5929","0.0011","90","","99.292","0.001","90","","1752.5","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7-pyrrolidino-7-benzylamino-8,8-dicyanoquinodimethane","7-pyrrolidino-7-benzylamino-8,8-dicyanoquinodimethane","","- C21 H20 N4 -","- C21 H20 N4 -","- C84 H80 N16 -","4","1","","Ch. G. Chandaluri; T. P. Radhakrishnan","Hierarchical assembly of a molecular material through the amorphous phase and the evolution of its fluorescence emission","Journal of Materials Chemistry C","2013","1","","4464","4471","10.1039/C3TC30615A","","","0.71073","MoKα","","0.0443","0.0416","","","0.1067","0.109","","","","","","1.06","","","","has coordinates,has disorder","217722","2020-10-21","18:00:00",""
"7233453","20.669","0.008","6.745","0.002","24.891","0.011","90","","102.363","0.014","90","","3390","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 N4 O3 -","- C42 H36 N4 O3 -","- C168 H144 N16 O12 -","4","1","","Yuping Zhang; Chunshuang Liang; Hongxing Shang; Yao Ma; Shimei Jiang","Supramolecular organogels and nanowires based on a V-shaped cyanostilbene amide derivative with aggregation-induced emission (AIE) properties","Journal of Materials Chemistry C","2013","1","","4472","4480","10.1039/C3TC30545G","","","0.71073","MoKα","","0.1542","0.0845","","","0.1816","0.2131","","","","","","1.056","","","","has coordinates","217723","2020-10-21","18:00:00",""
"7233477","7.599","0.005","7.984","0.005","27.611","0.015","91.65","0.04","95.04","0.04","108.88","0.05","1576","1.7","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H25 Cl3 N4 O3 -","- C39 H25 Cl3 N4 O3 -","- C78 H50 Cl6 N8 O6 -","2","1","","Jiyoung Lee; Katsuyuki Shizu; Hiroyuki Tanaka; Hiroko Nomura; Takuma Yasuda; Chihaya Adachi","Oxadiazole- and triazole-based highly-efficient thermally activated delayed fluorescence emitters for organic light-emitting diodes","Journal of Materials Chemistry C","2013","1","","4599","4604","10.1039/C3TC30699B","","","1.54187","CuKα","","","0.1353","","","","0.3902","","","","","","0.922","","","","has coordinates","217737","2020-10-21","18:00:00",""
"7233478","13.094","0.003","14.061","0.003","23.454","0.005","94.235","0.001","97.134","0.003","113.48","0.003","3893.8","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Eu5Zn2C140H135O47N40","","","- C140 H135 Eu5 N40 O47 Zn2 -","- C140 H135 Eu5 N40 O47 Zn2 -","- C140 H135 Eu5 N40 O47 Zn2 -","1","0.5","","Zhi-Fa Liu; Mei-Feng Wu; Shuai-Hua Wang; Fa-Kun Zheng; Guan-E. Wang; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang","Eu3±doped Tb3+ metal-organic frameworks emitting tunable three primary colors towards white light","Journal of Materials Chemistry C","2013","1","","4634","4639","10.1039/C3TC30733F","","","0.71073","MoKα","","0.0526","0.0436","","","0.1194","0.1283","","","","","","1.038","","","","has coordinates,has disorder","217738","2020-10-21","18:00:00",""
"7233479","12.973","0.003","14.046","0.005","23.376","0.006","94.335","0.012","96.686","0.009","113.976","0.005","3829.9","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","C140H135N40O47Tb5Zn2","","","- C140 H135 N40 O47 Tb5 Zn2 -","- C140 H135 N40 O47 Tb5 Zn2 -","- C140 H135 N40 O47 Tb5 Zn2 -","1","0.5","","Zhi-Fa Liu; Mei-Feng Wu; Shuai-Hua Wang; Fa-Kun Zheng; Guan-E. Wang; Jun Chen; Yu Xiao; A-Qing Wu; Guo-Cong Guo; Jin-Shun Huang","Eu3±doped Tb3+ metal-organic frameworks emitting tunable three primary colors towards white light","Journal of Materials Chemistry C","2013","1","","4634","4639","10.1039/C3TC30733F","","","0.71073","MoKα","","0.09","0.0756","","","0.1786","0.1905","","","","","","0.995","","","","has coordinates,has disorder","217739","2020-10-21","18:00:00",""
"7233480","5.228","0.003","9.351","0.005","4.734","0.003","90","","90","","90","","231.4","0.2","296","2","296","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- B Ba Cl F4 -","- B Ba Cl F4 -","- B2 Ba2 Cl2 F8 -","2","0.5","","Min Zhang; Shilie Pan; Zhihua Yang; Ying Wang; Xin Su; Yun Yang; Zhenjun Huang; Shujuan Han; Kenneth R. Poeppelmeier","BaClBF4: a new noncentrosymmetric pseudo-Aurivillius type material with transparency range from deep UV to middle IR and a high laser damage threshold","Journal of Materials Chemistry C","2013","1","","4740","4745","10.1039/C3TC30581C","","","0.71073","MoKα","","0.0184","0.0178","","","0.0423","0.0436","","","","","","1.213","","","","has coordinates","217740","2020-10-21","18:00:00",""
"7233481","23.504","0.003","23.504","0.003","9.1114","0.0013","90","","90","","90","","5033.5","1.2","296","2","296","2","","","","","","","","4","P -4","P -4","81","","","","- C33 H24 Ir N3 -","- C33 H24 Ir N3 -","- C264 H192 Ir8 N24 -","8","2","","Ping Wang; Fei-Fei Wang; Yi Chen; Qiang Niu; Lei Lu; Hong-Ming Wang; Xi-Cun Gao; Bin Wei; Hong-Wei Wu; Xin Cai; De-Chun Zou","Synthesis of all-deuterated tris(2-phenylpyridine)iridium for highly stable electrophosphorescence: the ""deuterium effect""","Journal of Materials Chemistry C","2013","1","","4821","4825","10.1039/C3TC30547C","","","0.71073","MoKα","","0.0251","0.0226","","","0.0522","0.0531","","","","","","1.136","","","","has coordinates","217741","2020-10-21","18:00:00",""
"7233482","15.196","0.008","7.934","0.004","29.846","0.016","90","","90","","90","","3598","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N O S -","- C23 H19 N O S -","- C184 H152 N8 O8 S8 -","8","1","","Lin Kong; Jia-xiang Yang; Zhao-ming Xue; Hong-ping Zhou; Long-jiu Cheng; Qiong Zhang; Jie-ying Wu; Bao-kang Jin; Sheng-yi Zhang; Yu-peng Tian","Regulation of luminescence band and exploration of antibacterial activity of a nanohybrid composed of fluorophore-phenothiazine nanoribbons dispersed with Ag nanoparticles","Journal of Materials Chemistry C","2013","1","","5047","5057","10.1039/C3TC30515E","","","0.71073","MoKα","","0.1129","0.0515","","","0.1277","0.1588","","","","","","1.031","","","","has coordinates","217742","2020-10-21","18:00:00",""
"7233483","8.6174","0.0001","11.3389","0.0002","19.7751","0.0003","92.949","0.001","98.462","0.001","94.427","0.001","1901.66","0.05","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H32 N6 -","- C53 H32 N6 -","- C106 H64 N12 -","2","1","","Tsu-Hui Su; Chun-Hsiang Fan; Yu-Han Ou-Yang; Lun-Chia Hsu; Chien-Hong Cheng","Highly efficient deep-red organic electrophosphorescent devices with excellent operational stability using bis(indoloquinoxalinyl) derivatives as the host materials","Journal of Materials Chemistry C","2013","1","","5084","5092","10.1039/C3TC30823E","","","0.71073","MoKα","","0.0525","0.0387","","","0.1034","0.1164","","","","","","1.08","","","","has coordinates","217744","2020-10-21","18:00:00",""
"7233484","5.8757","0.0008","11.0628","0.0015","12.9069","0.0017","75.27","0.003","78.072","0.003","87.7","0.003","793.81","0.19","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H28 N6 -","- C46 H28 N6 -","- C46 H28 N6 -","1","0.5","","Tsu-Hui Su; Chun-Hsiang Fan; Yu-Han Ou-Yang; Lun-Chia Hsu; Chien-Hong Cheng","Highly efficient deep-red organic electrophosphorescent devices with excellent operational stability using bis(indoloquinoxalinyl) derivatives as the host materials","Journal of Materials Chemistry C","2013","1","","5084","5092","10.1039/C3TC30823E","","","0.71073","MoKα","","0.0817","0.0728","","","0.1748","0.1794","","","","","","1.081","","","","has coordinates","217745","2020-10-21","18:00:00",""
"7233485","12.8002","0.0005","14.0687","0.0006","19.615","0.0007","80.878","0.003","85.943","0.002","88.948","0.003","3478.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H29 N7 -","- C47 H29 N7 -","- C188 H116 N28 -","4","2","","Tsu-Hui Su; Chun-Hsiang Fan; Yu-Han Ou-Yang; Lun-Chia Hsu; Chien-Hong Cheng","Highly efficient deep-red organic electrophosphorescent devices with excellent operational stability using bis(indoloquinoxalinyl) derivatives as the host materials","Journal of Materials Chemistry C","2013","1","","5084","5092","10.1039/C3TC30823E","","","0.71073","MoKα","","0.1666","0.0715","","","0.1561","0.2056","","","","","","1.016","","","","has coordinates","217746","2020-10-21","18:00:00",""
"7233486","10.361","0.0004","14.0189","0.0004","14.7013","0.0004","81.415","0.002","71.874","0.002","70.406","0.002","1909.47","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H132 Ag4 N12 O10 -","- C60 H132 Ag4 N12 O10 -","- C60 H132 Ag4 N12 O10 -","1","0.5","","Chen-Ni Chen; Teng-Yuan Dong; Ting-Chang Chang; Min-Chen Chen; Ho-Lin Tsai; Weng-Sing Hwang","Solution-based beta-diketonate silver ink for direct printing of highly conductive features on a flexible substrate","Journal of Materials Chemistry C","2013","1","","5161","5168","10.1039/C3TC30911H","","","0.71073","MoKα","","0.0496","0.0334","","","0.0881","0.1059","","","","","","1.127","","","","has coordinates,has disorder","217747","2020-10-21","18:00:00",""
"7233487","7.7081","0.0009","8.6036","0.0009","15.1979","0.0018","86.966","0.006","80.202","0.006","69.316","0.005","929.14","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Au N O -","- C19 H26 Au N O -","- C38 H52 Au2 N2 O2 -","2","1","","Kaori Fujisawa; Naoya Kawakami; Yusuke Onishi; Yuichi Izumi; Sho Tamai; Nana Sugimoto; Osamu Tsutsumi","Photoluminescent properties of liquid crystalline gold(I) isocyanide complexes with a rod-like molecular structure","Journal of Materials Chemistry C","2013","1","","5359","5366","10.1039/C3TC31105H","","","0.71075","MoKα","","","0.0585","","","","0.1741","","","","","","1.136","","","","has coordinates","217750","2020-10-21","18:00:00",""
"7233488","7.3596","0.0008","9.8116","0.0006","13.9641","0.0014","89.373","0.007","88.527","0.009","83.285","0.006","1001.06","0.16","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Au N O -","- C20 H28 Au N O -","- C40 H56 Au2 N2 O2 -","2","1","","Kaori Fujisawa; Naoya Kawakami; Yusuke Onishi; Yuichi Izumi; Sho Tamai; Nana Sugimoto; Osamu Tsutsumi","Photoluminescent properties of liquid crystalline gold(I) isocyanide complexes with a rod-like molecular structure","Journal of Materials Chemistry C","2013","1","","5359","5366","10.1039/C3TC31105H","","x-ray","1.54184","CuKα","","0.0506","0.0453","","","","0.1246","","","","","","1.18","","","","has coordinates,has disorder","217751","2020-10-21","18:00:00",""
"7233489","7.4166","0.0008","9.7574","0.0017","14.458","0.0017","90.711","0.013","90.313","0.011","97.749","0.011","1036.6","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","1c","","- C21 H30 Au N O -","- C21 H30 Au N O -","- C42 H60 Au2 N2 O2 -","2","1","","Kaori Fujisawa; Naoya Kawakami; Yusuke Onishi; Yuichi Izumi; Sho Tamai; Nana Sugimoto; Osamu Tsutsumi","Photoluminescent properties of liquid crystalline gold(I) isocyanide complexes with a rod-like molecular structure","Journal of Materials Chemistry C","2013","1","","5359","5366","10.1039/C3TC31105H","","x-ray","1.54178","CuKα","","0.0377","0.0368","","","","0.0994","","","","","","1.145","","","","has coordinates,has disorder","217752","2020-10-21","18:00:00",""
"7233490","8.9221","0.0016","9.6174","0.0011","13.6118","0.0019","76.298","0.01","77.979","0.013","87.684","0.013","1109.8","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","1d","","- C22 H32 Au N O -","- C22 H32 Au N O -","- C44 H64 Au2 N2 O2 -","2","1","","Kaori Fujisawa; Naoya Kawakami; Yusuke Onishi; Yuichi Izumi; Sho Tamai; Nana Sugimoto; Osamu Tsutsumi","Photoluminescent properties of liquid crystalline gold(I) isocyanide complexes with a rod-like molecular structure","Journal of Materials Chemistry C","2013","1","","5359","5366","10.1039/C3TC31105H","","","1.54184","CuKα","","0.098","0.0473","","","","0.132","","","","","","1.008","","","","has coordinates,has disorder","217753","2020-10-21","18:00:00",""
"7233491","27.567","0.008","9.156","0.003","13.752","0.014","90","","97.93","0.05","90","","3438","4","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O4 -","- C22 H18 N2 O4 -","- C176 H144 N16 O32 -","8","1","","Tomoyuki Kakinuma; Hirotaka Kojima; Minoru Ashizawa; Hidetoshi Matsumoto; Takehiko Mori","Correlation of mobility and molecular packing in organic transistors based on cycloalkyl naphthalene diimides","Journal of Materials Chemistry C","2013","1","","5395","5401","10.1039/C3TC30920G","","","0.71069","MoKα","","","0.0509","","","","0.1603","","","","","","1.027","","","","has coordinates","217754","2020-10-21","18:00:00",""
"7233492","6.0407","0.0018","16.75","0.006","5.2404","0.0019","98.72","0.05","104.53","0.05","74.8","0.05","493.2","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","1","0.5","","Tomoyuki Kakinuma; Hirotaka Kojima; Minoru Ashizawa; Hidetoshi Matsumoto; Takehiko Mori","Correlation of mobility and molecular packing in organic transistors based on cycloalkyl naphthalene diimides","Journal of Materials Chemistry C","2013","1","","5395","5401","10.1039/C3TC30920G","","","0.7107","MoKα","","","0.0664","","","","0.1502","","","","","","1.257","","","","has coordinates","217755","2020-10-21","18:00:00",""
"7233493","6.211","0.006","17.454","0.015","5.236","0.006","90.85","0.04","100.77","0.04","94.3","0.03","555.8","1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","1","0.5","","Tomoyuki Kakinuma; Hirotaka Kojima; Minoru Ashizawa; Hidetoshi Matsumoto; Takehiko Mori","Correlation of mobility and molecular packing in organic transistors based on cycloalkyl naphthalene diimides","Journal of Materials Chemistry C","2013","1","","5395","5401","10.1039/C3TC30920G","","","0.7107","MoKα","","","0.1209","","","","0.4078","","","","","","0.855","","","","has coordinates","217756","2020-10-21","18:00:00",""
"7233494","19.385","0.004","7.095","0.003","8.96","0.004","90","","97.38","0.02","90","","1222.1","0.8","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 O4 -","- C30 H34 N2 O4 -","- C60 H68 N4 O8 -","2","0.5","","Tomoyuki Kakinuma; Hirotaka Kojima; Minoru Ashizawa; Hidetoshi Matsumoto; Takehiko Mori","Correlation of mobility and molecular packing in organic transistors based on cycloalkyl naphthalene diimides","Journal of Materials Chemistry C","2013","1","","5395","5401","10.1039/C3TC30920G","","","0.71069","MoKα","","","0.0669","","","","0.2591","","","","","","0.979","","","","has coordinates","217757","2020-10-21","18:00:00",""
"7233495","25.1073","0.0011","11.3157","0.0005","12.0314","0.0005","90","","96.39","0.002","90","","3397","0.3","100","0.1","100","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C52 H30 N2 -","- C52 H30 N2 -","- C208 H120 N8 -","4","0.5","","Rajeswara Rao M; Chia-Wei Liao; Wei-Lin Su; Shih-Sheng Sun","Quinoxaline based D-A-D molecules: high contrast reversible solid-state mechano- and thermo-responsive fluorescent materials","Journal of Materials Chemistry C","2013","1","","5491","5501","10.1039/C3TC31179A","","","0.71073","MoKα","","0.0841","0.0487","","","0.1075","0.1237","","","","","","1.043","","","","has coordinates","217758","2020-10-21","18:00:00",""
"7233496","8.1522","0.0002","26.7993","0.0007","16.6605","0.0004","90","","95.25","0.001","90","","3624.6","0.16","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C48 H30 N2 -","- C47.892 H29.91 N2 -","- C191.568 H119.64 N8 -","4","1","","Rajeswara Rao M; Chia-Wei Liao; Wei-Lin Su; Shih-Sheng Sun","Quinoxaline based D-A-D molecules: high contrast reversible solid-state mechano- and thermo-responsive fluorescent materials","Journal of Materials Chemistry C","2013","1","","5491","5501","10.1039/C3TC31179A","","","0.71073","MoKα","","0.1076","0.0683","","","0.1814","0.1977","","","","","","1.141","","","","has coordinates,has disorder","217759","2020-10-21","18:00:00",""
"7233497","8.958","0.006","10.065","0.005","15.398","0.008","100.358","0.017","100.19","0.02","90.81","0.02","1342.6","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H82 N4 O2 -","- C64 H82 N4 O2 -","- C64 H82 N4 O2 -","1","0.5","","Chenguang Wang; Dong Chen; Weiping Chen; Shanyong Chen; Kaiqi Ye; Hongyu Zhang; Jingying Zhang; Yue Wang","Polymorph, assembly, luminescence and semiconductor properties of a quinacridone derivative with extended pi-conjugated framework","Journal of Materials Chemistry C","2013","1","","5548","5556","10.1039/C3TC30803K","","","0.71073","MoKα","","0.1069","0.0525","","","0.1309","0.1541","","","","","","0.917","","","","has coordinates","217760","2020-10-21","18:00:00",""
"7233498","9.04","0.008","10.523","0.007","14.736","0.01","75.89","0.02","89.97","0.03","89.11","0.03","1359.3","1.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H82 N4 O2 -","- C64 H82 N4 O2 -","- C64 H82 N4 O2 -","1","0.5","","Chenguang Wang; Dong Chen; Weiping Chen; Shanyong Chen; Kaiqi Ye; Hongyu Zhang; Jingying Zhang; Yue Wang","Polymorph, assembly, luminescence and semiconductor properties of a quinacridone derivative with extended pi-conjugated framework","Journal of Materials Chemistry C","2013","1","","5548","5556","10.1039/C3TC30803K","","","0.71073","MoKα","","0.2425","0.09","","","0.2052","0.2817","","","","","","0.954","","","","has coordinates","217761","2020-10-21","18:00:00",""
"7233499","8.8808","0.0003","10.9801","0.0003","13.8034","0.0004","82.731","0.002","72.77","0.001","76.798","0.002","1249.11","0.07","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H34 N4 O3 -","- C26 H34 N4 O3 -","- C52 H68 N8 O6 -","2","1","","Muhammad Tariq; Shahid Hameed; Ivan H. Bechtold; Adailton J. Bortoluzzi; Aloir A. Merlo","Synthesis and characterization of some novel tetrazole liquid crystals","Journal of Materials Chemistry C","2013","1","","5583","5593","10.1039/C3TC30966E","","","0.71073","MoKα","","0.0785","0.0629","","","0.1824","0.2006","","","","","","1.046","","","","has coordinates","217768","2020-10-21","18:00:00",""
"7233500","6.1964","0.0004","7.3745","0.0004","33.1004","0.0018","93.63","0.003","94.782","0.003","95.576","0.003","1496.24","0.15","190","2","190","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H46 N4 O3 -","- C32 H46 N4 O3 -","- C64 H92 N8 O6 -","2","2","","Muhammad Tariq; Shahid Hameed; Ivan H. Bechtold; Adailton J. Bortoluzzi; Aloir A. Merlo","Synthesis and characterization of some novel tetrazole liquid crystals","Journal of Materials Chemistry C","2013","1","","5583","5593","10.1039/C3TC30966E","","","0.71073","MoKα","","0.079","0.0661","","","0.172","0.1794","","","","","","1.057","","","","has coordinates","217770","2020-10-21","18:00:00",""
"7233501","13.4731","0.0001","15.1376","0.0001","19.00509","0.00012","90","","106.9","0.0007","90","","3708.7","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Phenyl-C61-butyric acid methyl ester'","Phenyl-C61-butyric acid methyl ester'","","- C72 H14 O2 -","- C72 H14 O2 -","- C288 H56 O8 -","4","1","","Giuseppe Paterna; Anna J. Warren; Jacob Spencer; Gwyndaf Evans; Victoria Garcia Sakai; Jochen Blumberger; Franco Cacialli","Micro-focused X-ray diffraction characterization of high-quality [6,6]-phenyl-C61-butyric acid methyl ester single crystals without solvent impurities","Journal of Materials Chemistry C","2013","1","","5619","5623","10.1039/C3TC31075B","","","0.62","Synchrotron","","0.0581","0.0512","","","0.1426","0.1503","","","","","","1.058","","","","has coordinates","217771","2020-10-21","18:00:00",""
"7233502","9.2956","0.0001","16.8937","0.0005","14.1056","0.0003","90","","108.13","0.002","90","","2105.13","0.08","173","0.14","173","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Si -","- C28 H22 Si -","- C112 H88 Si4 -","4","1","","Engui Zhao; Jacky W. Y. Lam; Yuning Hong; Jianzhao Liu; Qian Peng; Jianhua Hao; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang","How do substituents affect silole emission?","Journal of Materials Chemistry C","2013","1","","5661","5668","10.1039/C3TC30880D","","x-ray","1.5418","CuKα","","0.0344","0.0318","","","0.0839","0.086","","","","","","1.006","","","","has coordinates","217772","2020-10-21","18:00:00",""
"7233503","18.8276","0.0004","11.936","0.0003","15.027","0.0003","90","","104.794","0.002","90","","3265.02","0.13","173","0.14","173","0.14","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 Si2 -","- C39 H34 Si2 -","- C156 H136 Si8 -","4","1","","Engui Zhao; Jacky W. Y. Lam; Yuning Hong; Jianzhao Liu; Qian Peng; Jianhua Hao; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang","How do substituents affect silole emission?","Journal of Materials Chemistry C","2013","1","","5661","5668","10.1039/C3TC30880D","","x-ray","1.5418","CuKα","","0.0714","0.057","","","0.1425","0.1556","","","","","","1.003","","","","has coordinates","217773","2020-10-21","18:00:00",""
"7233504","11.2522","0.0002","24.9636","0.0004","18.4374","0.0004","90","","104.987","0.002","90","","5002.82","0.17","173","2","173","0.14","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C52 H50 Cl4 Si3 -","- C52 H50 Cl4 Si3 -","- C208 H200 Cl16 Si12 -","4","0.5","","Engui Zhao; Jacky W. Y. Lam; Yuning Hong; Jianzhao Liu; Qian Peng; Jianhua Hao; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang","How do substituents affect silole emission?","Journal of Materials Chemistry C","2013","1","","5661","5668","10.1039/C3TC30880D","","x-ray","1.5418","CuKα","","0.0611","0.0587","","","0.1619","0.1644","","","","","","1.013","","","","has coordinates","217774","2020-10-21","18:00:00",""
"7233505","21.092","0.013","6.521","0.003","12.149","0.007","90","","119.587","0.008","90","","1453.1","1.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Di Jiang; Zheng Xue; Yongjun Li; Huibiao Liu; Wensheng Yang","Synthesis of donor-acceptor molecules based on isoxazolones for investigation of their nonlinear optical properties","Journal of Materials Chemistry C","2013","1","","5694","5700","10.1039/C3TC31228C","","","0.71073","MoKα","","0.0556","0.0539","","","0.1341","0.1356","","","","","","1.109","","","","has coordinates","217775","2020-10-21","18:00:00",""
"7233506","5.844","0.004","7.72","0.005","44.76","0.03","90","","90","","90","","2019","2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N2 O2 -","- C26 H22 N2 O2 -","- C104 H88 N8 O8 -","4","1","","Di Jiang; Zheng Xue; Yongjun Li; Huibiao Liu; Wensheng Yang","Synthesis of donor-acceptor molecules based on isoxazolones for investigation of their nonlinear optical properties","Journal of Materials Chemistry C","2013","1","","5694","5700","10.1039/C3TC31228C","","","0.71073","MoKα","","0.0942","0.0851","","","0.1588","0.1635","","","","","","1.206","","","","has coordinates","217776","2020-10-21","18:00:00",""
"7233507","16.6077","0.0015","8.2169","0.0008","20.052","0.002","90","","109.011","0.011","90","","2587.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N2 O2 -","- C36 H24 N2 O2 -","- C144 H96 N8 O8 -","4","1","","Di Jiang; Zheng Xue; Yongjun Li; Huibiao Liu; Wensheng Yang","Synthesis of donor-acceptor molecules based on isoxazolones for investigation of their nonlinear optical properties","Journal of Materials Chemistry C","2013","1","","5694","5700","10.1039/C3TC31228C","","","1.54178","CuKα","","0.0718","0.0528","","","0.1428","0.1649","","","","","","0.996","","","","has coordinates","217777","2020-10-21","18:00:00",""
"7233508","13.7978","0.0009","17.4765","0.0012","26.166","0.0017","83.044","0.005","79.39","0.005","88.249","0.005","6155.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(2,6-dimethyl-3,5-heptanedionate)mono(5-nitro- 1,10-phenanthroline)erbium(III)","","- C39 H52 Er N3 O8 -","- C39 H52 Er N3 O8 -","- C234 H312 Er6 N18 O48 -","6","3","","P. Martin-Ramos; V. Lavin; M. Ramos Silva; I. R. Martin; F. Lahoz; P. Chamorro-Posada; J. A. Paixao; J. Martin-Gil","Novel erbium(III) complexes with 2,6-dimethyl-3,5-heptanedione and different N,N-donor ligands for ormosil and PMMA matrices doping","Journal of Materials Chemistry C","2013","1","","5701","5710","10.1039/C3TC30686K","","","0.71073","MoKα","","0.2784","0.0812","","","0.1535","0.219","","","","","","0.938","","","","has coordinates,has disorder","217778","2020-10-21","18:00:00",""
"7233509","13.2245","0.0003","16.7752","0.0004","18.0529","0.0004","92.312","0.001","94.601","0.001","92.751","0.001","3983.48","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Tris(2,6-dimethyl-3,5-heptanedionate) mono(2,2-bipyridine)erbium(III)","","- C37 H53 Er N2 O6 -","- C37 H53 Er N2 O6 -","- C148 H212 Er4 N8 O24 -","4","2","","P. Martin-Ramos; V. Lavin; M. Ramos Silva; I. R. Martin; F. Lahoz; P. Chamorro-Posada; J. A. Paixao; J. Martin-Gil","Novel erbium(III) complexes with 2,6-dimethyl-3,5-heptanedione and different N,N-donor ligands for ormosil and PMMA matrices doping","Journal of Materials Chemistry C","2013","1","","5701","5710","10.1039/C3TC30686K","","","0.71073","MoKα","","0.0914","0.0409","","","0.0869","0.1052","","","","","","0.973","","","","has coordinates","217779","2020-10-21","18:00:00",""
"7233510","14.3822","0.0004","15.6172","0.0005","23.5197","0.0006","90","","105.38","0.0014","90","","5093.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris(2,6-dimethyl-3,5-heptanedionate) mono(bathophenanthroline)erbium(III)","","- C51 H61 Er N2 O6 -","- C51 H61 Er N2 O6 -","- C204 H244 Er4 N8 O24 -","4","1","","P. Martin-Ramos; V. Lavin; M. Ramos Silva; I. R. Martin; F. Lahoz; P. Chamorro-Posada; J. A. Paixao; J. Martin-Gil","Novel erbium(III) complexes with 2,6-dimethyl-3,5-heptanedione and different N,N-donor ligands for ormosil and PMMA matrices doping","Journal of Materials Chemistry C","2013","1","","5701","5710","10.1039/C3TC30686K","","","0.71073","MoKα","","0.0709","0.0484","","","0.1439","0.1659","","","","","","1.035","","","","has coordinates,has disorder","217780","2020-10-21","18:00:00",""
"7233511","14.5958","0.0011","14.9387","0.001","16.2175","0.0011","90","","98.656","0.002","90","","3495.8","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cl2 N2 Si2 -","- C34 H46 Cl2 N2 Si2 -","- C136 H184 Cl8 N8 Si8 -","4","1","","Benjamin D. Lindner; Yexiang Zhang; Stefan Hofle; Nancy Berger; Claudia Teusch; Malte Jesper; Kenneth I. Hardcastle; Xuhong Qian; Uli Lemmer; Alexander Colsmann; Uwe H. F. Bunz; Manuel Hamburger","N-Fused quinoxalines and benzoquinoxalines as attractive emitters for organic light emitting diodes","Journal of Materials Chemistry C","2013","1","","5718","5724","10.1039/C3TC30828F","","","0.71073","MoKα","","0.1088","0.0518","","","0.1057","0.1273","","","","","","0.997","","","","has coordinates,has disorder","217781","2020-10-21","18:00:00",""
"7233512","14.8061","0.001","16.0206","0.0011","17.5296","0.0011","97.524","0.004","98.064","0.004","90.635","0.004","4079.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H54 N2 Si2 -","- C46 H54 N2 Si2 -","- C184 H216 N8 Si8 -","4","2","","Benjamin D. Lindner; Yexiang Zhang; Stefan Hofle; Nancy Berger; Claudia Teusch; Malte Jesper; Kenneth I. Hardcastle; Xuhong Qian; Uli Lemmer; Alexander Colsmann; Uwe H. F. Bunz; Manuel Hamburger","N-Fused quinoxalines and benzoquinoxalines as attractive emitters for organic light emitting diodes","Journal of Materials Chemistry C","2013","1","","5718","5724","10.1039/C3TC30828F","","","1.54178","CuKα","","0.1516","0.0762","","","0.1721","0.208","","","","","","1.042","","","","has coordinates,has disorder","217782","2020-10-21","18:00:00",""
"7233513","11.1333","0.0012","13.6022","0.0015","17.6452","0.0019","80.944","0.002","81.277","0.002","72.615","0.002","2502.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H74 N2 Si2 -","- C54 H74 N2 Si2 -","- C108 H148 N4 Si4 -","2","1","","Benjamin D. Lindner; Yexiang Zhang; Stefan Hofle; Nancy Berger; Claudia Teusch; Malte Jesper; Kenneth I. Hardcastle; Xuhong Qian; Uli Lemmer; Alexander Colsmann; Uwe H. F. Bunz; Manuel Hamburger","N-Fused quinoxalines and benzoquinoxalines as attractive emitters for organic light emitting diodes","Journal of Materials Chemistry C","2013","1","","5718","5724","10.1039/C3TC30828F","","","0.71073","MoKα","","0.1222","0.0652","","","0.1716","0.2064","","","","","","1.069","","","","has coordinates,has disorder","217783","2020-10-21","18:00:00",""
"7233514","14.5474","0.0008","14.9254","0.0009","16.2869","0.001","90","","97.065","0.004","90","","3509.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 N2 Si2 -","- C36 H52 N2 Si2 -","- C144 H208 N8 Si8 -","4","1","","Benjamin D. Lindner; Yexiang Zhang; Stefan Hofle; Nancy Berger; Claudia Teusch; Malte Jesper; Kenneth I. Hardcastle; Xuhong Qian; Uli Lemmer; Alexander Colsmann; Uwe H. F. Bunz; Manuel Hamburger","N-Fused quinoxalines and benzoquinoxalines as attractive emitters for organic light emitting diodes","Journal of Materials Chemistry C","2013","1","","5718","5724","10.1039/C3TC30828F","","","0.71073","MoKα","","0.0836","0.0607","","","0.1509","0.1667","","","","","","1.087","","","","has coordinates","217784","2020-10-21","18:00:00",""
"7233515","7.262","0.003","9.148","0.005","11.131","0.005","102.635","0.008","94.961","0.007","106.756","0.005","682","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H26 S4 -","- C36 H26 S4 -","- C36 H26 S4 -","1","0.5","","Jing Zhang; Zhiying Ma; Qian Zhang; Tarunpreet Singh Virk; Hua Geng; Dong Wang; Wei Xu; Zhigang Shuai; Kamaljit Singh; Wenping Hu; Daoben Zhu","Substitution effects on the electrical tranporting properties of tetrathia[22]annulene[2,1,2,1]: experimental and theoretical investigations","Journal of Materials Chemistry C","2013","1","","5765","5771","10.1039/C3TC30776J","","","0.71073","MoKα","","0.0496","0.0462","","","0.118","0.1213","","","","","","1.08","","","","has coordinates","217785","2020-10-21","18:00:00",""
"7233516","11.102","0.003","11.949","0.003","12.195","0.003","108.95","0.002","112.42","0.002","95.82","0.002","1366.7","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 Cl2 S4 -","- C34 H20 Cl2 S4 -","- C68 H40 Cl4 S8 -","2","1","","Jing Zhang; Zhiying Ma; Qian Zhang; Tarunpreet Singh Virk; Hua Geng; Dong Wang; Wei Xu; Zhigang Shuai; Kamaljit Singh; Wenping Hu; Daoben Zhu","Substitution effects on the electrical tranporting properties of tetrathia[22]annulene[2,1,2,1]: experimental and theoretical investigations","Journal of Materials Chemistry C","2013","1","","5765","5771","10.1039/C3TC30776J","","","0.71073","MoKα","","0.0525","0.0455","","","0.1041","0.1078","","","","","","1.117","","","","has coordinates","217786","2020-10-21","18:00:00",""
"7233517","21.1753","0.0011","21.0416","0.0011","15.4504","0.0008","90","","90","","90","","6884.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H45 Gd7 O60 S8 -","- C28 H45 Gd7 O59.55 S8 -","- C112 H180 Gd28 O238.2 S32 -","4","1","","Richard F. D Vries; Susana Alvarez-Garcia; Natalia Snejko; Luisa E. Bausa; Enrique Gutierrez-Puebla; Alicia de Andres; M. Angeles Monge","Multimetal rare earth MOFs for lighting and thermometry: tailoring color and optimal temperature range through enhanced disulfobenzoic triplet phosphorescence","Journal of Materials Chemistry C","2013","1","","6316","6324","10.1039/C3TC30858H","","","0.71073","MoKα","","0.0574","0.0448","","","0.0999","0.108","","","","","","1.111","","","","has coordinates,has disorder","217787","2020-10-21","18:00:00",""
"7233518","10.544","0.005","36.761","0.017","5.8903","0.0019","90","","101.277","0.016","90","","2239","1.7","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C50 H28 O4 S -","- C50 H28 O4 S -","- C100 H56 O8 S2 -","2","0.25","","Rajeswara Rao M; Chia-Wei Liao; Shih-Sheng Sun","Structurally simple thienodipyrandione-containing reversible fluorescent switching piezo- and acido-chromic materials","Journal of Materials Chemistry C","2013","1","","6386","6394","10.1039/C3TC31504E","","","0.71073","MoKα","","0.218","0.0834","","","0.2048","0.2504","","","","","","0.876","","","","has coordinates","217788","2020-10-21","18:00:00",""
"7233519","36.933","0.005","13.519","0.0017","11.839","0.0013","90","","94.1","0.012","90","","5896.1","1.3","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 O5 S2 -","- C40 H26 O5 S2 -","- C320 H208 O40 S16 -","8","1","","Rajeswara Rao M; Chia-Wei Liao; Shih-Sheng Sun","Structurally simple thienodipyrandione-containing reversible fluorescent switching piezo- and acido-chromic materials","Journal of Materials Chemistry C","2013","1","","6386","6394","10.1039/C3TC31504E","","","0.71073","MoKα","","0.2354","0.0962","","","0.1762","0.2348","","","","","","1.013","","","","has coordinates","217789","2020-10-21","18:00:00",""
"7235260","17.313","0.0007","13.4192","0.0006","19.7406","0.0009","90","","115.153","0.002","90","","4151.4","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N6 Pd S2 -","- C18 H20 N6 Pd S2 -","- C144 H160 N48 Pd8 S16 -","8","2","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.0483","0.0335","","","0.1029","0.1231","","","","","","0.849","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235261","7.908","0.004","26.302","0.014","9.794","0.005","90","","90.686","0.007","90","","2037","1.8","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H14 Cl2 N6 Pd S2 -","- C16 H14 Cl2 N6 Pd S2 -","- C64 H56 Cl8 N24 Pd4 S8 -","4","2","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.1289","0.1218","","","0.307","0.3127","","","","","","1.973","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235262","17.767","0.005","13.134","0.004","8.83","0.003","90","","90","","90","","2060.5","1.1","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H20 N6 O2 Pd S2 -","- C18 H20 N6 O2 Pd S2 -","- C72 H80 N24 O8 Pd4 S8 -","4","1","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.0528","0.0367","","","0.0738","0.0808","","","","","","0.885","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235263","9.9226","0.0003","10.9475","0.0003","12.409","0.0003","91.136","0.001","107.096","0.001","109.299","0.001","1205.73","0.06","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H21 Cl N3 P Pd S -","- C26 H21 Cl N3 P Pd S -","- C52 H42 Cl2 N6 P2 Pd2 S2 -","2","1","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.0283","0.0246","","","0.0701","0.0744","","","","","","0.822","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235264","9.9753","0.0003","10.8801","0.0004","12.5208","0.0004","90.807","0.002","107.726","0.002","109.247","0.002","1212.11","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 N3 P Pd S -","- C27 H24 N3 P Pd S -","- C54 H48 N6 P2 Pd2 S2 -","2","1","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.0373","0.0294","","","0.0774","0.084","","","","","","0.832","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235265","9.9825","0.001","10.0841","0.001","26.259","0.003","100.477","0.005","93.419","0.006","96.826","0.005","2571.9","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H22 N3 O P Pd S -","- C26 H22 N3 O P Pd S -","- C104 H88 N12 O4 P4 Pd4 S4 -","4","2","","Dutta, Jayita; Bhattacharya, Samaresh","Controlled interaction of benzaldehyde thiosemicarbazones with palladium: formation of bis-complexes with cis-geometry and organopalladium complexes, and their catalytic application in C‒C and C‒N coupling","RSC Advances","2013","3","27","10707","","10.1039/c3ra40829a","","","0.71073","MoKα","","0.2105","0.2018","","","0.4921","0.4961","","","","","","1.319","","","","has coordinates","232640","2020-10-21","18:00:00",""
"7235266","14.1523","0.0007","15.1344","0.0007","18.0022","0.0009","66.294","0.004","71.031","0.004","64.522","0.005","3132.7","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H20 N12 O42 Sm2 -","- C40 H20 N12 O42 Sm2 -","- C80 H40 N24 O84 Sm4 -","2","1","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0644","0.0352","","","0.0885","0.1021","","","","","","1.034","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235267","8.9815","0.0003","14.0907","0.0004","14.1747","0.0005","67.246","0.003","78.097","0.003","71.811","0.003","1564.11","0.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 Eu N6 O21 -","- C20 H25 Eu N6 O21 -","- C40 H50 Eu2 N12 O42 -","2","1","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.052","0.0411","","","0.0962","0.1037","","","","","","1.049","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235268","13.7707","0.0005","13.8802","0.0003","17.897","0.0005","82.98","0.002","81.471","0.003","70.077","0.002","3171.07","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H46 Dy2 N12 O42 -","- C40 H20 Dy2 N12 O42 -","- C80 H40 Dy4 N24 O84 -","2","1","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0527","0.0387","","","0.105","0.1153","","","","","","1.007","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235269","20.836","0.004","9.4722","0.0016","28.136","0.005","90","","106.372","0.003","90","","5327.8","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H46 Dy3 N13 O33 -","- C40 H44 Dy3 N13 O33 -","- C160 H176 Dy12 N52 O132 -","4","0.5","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0444","0.0419","","","0.1169","0.1205","","","","","","1.023","","","","has coordinates,has disorder","232642","2020-10-21","18:00:00",""
"7235270","8.3855","0.0002","9.4526","0.0003","13.2169","0.0003","88.674","0.002","79.772","0.002","66.784","0.003","946.23","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Dy2 N6 O24 -","- C28 H38 Dy2 N6 O24 -","- C28 H38 Dy2 N6 O24 -","1","0.5","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0267","0.0244","","","0.0588","0.0608","","","","","","1.007","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235271","8.4976","0.0005","10.4677","0.0005","12.1637","0.0008","112.855","0.005","96.677","0.005","103.448","0.005","943.57","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 Er N3 O10 -","- C18 H9 Er N3 O10 -","- C36 H18 Er2 N6 O20 -","2","1","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0206","0.0191","","","0.0491","0.0498","","","","","","1.003","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235272","8.4828","0.0005","10.4482","0.0005","12.1414","0.0008","112.753","0.005","96.732","0.005","103.42","0.005","939.2","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 N3 O10 Tm -","- C18 H9 N3 O10 Tm -","- C36 H18 N6 O20 Tm2 -","2","1","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0239","0.0225","","","0.0574","0.0585","","","","","","1.055","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235273","8.4728","0.0005","10.4366","0.0005","12.152","0.0008","112.738","0.005","96.828","0.005","103.269","0.005","938.45","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H9 N3 O10 Yb -","- C18 H9 N3 O10 Yb -","- C36 H18 N6 O20 Yb2 -","2","1","","Liu, Song-Juan; Huang, Yuanbiao; Lin, Zu-Jin; Li, Xin-Fa; Cao, Rong","Syntheses, structures and photoluminescent properties of lanthanide coordination polymers based on pyridyl functionalized imidazole dicarboxylic acid","RSC Advances","2013","3","24","9279","","10.1039/c3ra41166d","","","0.71073","MoKα","","0.0305","0.0267","","","0.0573","0.0593","","","","","","1.03","","","","has coordinates","232642","2020-10-21","18:00:00",""
"7235274","12.696","0.009","17.151","0.012","10.238","0.007","90","","114.694","0.005","90","","2025","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","17b","17b","","- C19 H14 O5 S4 -","- C19 H14 O5 S4 -","- C76 H56 O20 S16 -","4","0.5","","Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng","Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C‒S coupling between aryl iodides and zinc‒thiolate complex (TBA)2[Zn(DMIT)2]","RSC Advances","2013","3","26","10193","","10.1039/c3ra41349g","","","0.71073","MoKα","","0.0718","0.0426","","","0.0916","0.1073","","","","","","1.018","","","","has coordinates","232644","2020-10-21","18:00:00",""
"7235275","11.066","0.012","11.928","0.013","13.426","0.014","78.033","0.01","89.127","0.01","86.984","0.009","1731","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","24b","24b","","- C15 H8 N2 O5 S4 -","- C15 H8 N2 O5 S4 -","- C60 H32 N8 O20 S16 -","4","2","","Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng","Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C‒S coupling between aryl iodides and zinc‒thiolate complex (TBA)2[Zn(DMIT)2]","RSC Advances","2013","3","26","10193","","10.1039/c3ra41349g","","","0.71073","MoKα","","0.1165","0.0653","","","0.1516","0.177","","","","","","1.036","","","","has coordinates","232644","2020-10-21","18:00:00",""
"7235276","10.892","0.003","8.013","0.0019","14.444","0.003","90","","90","","90","","1260.6","0.5","293","2","293","2","","","","","","","","4","P m n b","-P 2bc 2a","62","34a","34a","","- C11 H6 O2 S5 -","- C11 H6 O2 S5 -","- C44 H24 O8 S20 -","4","0.5","","Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng","Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C‒S coupling between aryl iodides and zinc‒thiolate complex (TBA)2[Zn(DMIT)2]","RSC Advances","2013","3","26","10193","","10.1039/c3ra41349g","","","0.71073","MoKα","","0.0466","0.0346","","","0.0814","0.0919","","","","","","1.046","","","","has coordinates,has disorder","232644","2020-10-21","18:00:00",""
"7235277","11.411","0.003","11.385","0.0017","19.507","0.003","90","","90","","90","","2534.2","0.9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","35a","35a","","- C9 H6 S6 -","- C9 H6 S6 -","- C72 H48 S48 -","8","1","","Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng","Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C‒S coupling between aryl iodides and zinc‒thiolate complex (TBA)2[Zn(DMIT)2]","RSC Advances","2013","3","26","10193","","10.1039/c3ra41349g","","","0.71073","MoKα","","0.0586","0.0402","","","0.0814","0.1085","","","","","","1.095","","","","has coordinates","232644","2020-10-21","18:00:00",""
"7235278","4.967","0.005","27.181","0.014","7.764","0.007","90","","117.55","0.06","90","","929.3","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C48 H36 O8 -","2","0.5","","Gaur, Ruchi; Mishra, Lallan","Bi-nuclear Ru(ii) complexes of bis-chalcone and bis-flavonol: synthesis, characterization, photo cleavage of DNA and Topoisomerase I inhibition","RSC Advances","2013","3","30","12210","","10.1039/c3ra41451e","","","0.71073","MoKα","","0.2075","0.0532","","","0.0538","0.0967","","","","","","0.735","","","","has coordinates","232646","2020-10-21","18:00:00",""
"7235279","14.565","0.007","15.905","0.007","16.366","0.008","85.02","0.05","88.64","0.05","73.41","0.05","3620","3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83.9 H58 N17.6 Ni3 O8.9 -","- C83.9 H57.6 N17.6 Ni3 O8.9 -","- C167.8 H115.2 N35.2 Ni6 O17.8 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Philippidis, Aggelos; Tzimopoulos, Demetrios I.; Fotopoulou, Eirini; Siczek, Milosz; Lis, Tadeusz; Milios, Constantinos J.","An indeno-quinoxaline based oxime ligand for the synthesis of polynuclear Ni(ii) clusters","RSC Advances","2013","3","32","13214","","10.1039/c3ra41455h","","","0.71073","MoKα","","0.4374","0.1214","","","0.1253","0.2189","","","","","","0.932","","","","has coordinates,has disorder","232648","2020-10-21","18:00:00",""
"7235280","17.036","0.007","17.422","0.007","19.4","0.008","64.27","0.04","77.69","0.03","63.98","0.04","4659","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C101.5 H74.6 N18 Ni6 O18.8 -","- C101.5 H72 N18 Ni6 O18.8 -","- C203 H144 N36 Ni12 O37.6 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Philippidis, Aggelos; Tzimopoulos, Demetrios I.; Fotopoulou, Eirini; Siczek, Milosz; Lis, Tadeusz; Milios, Constantinos J.","An indeno-quinoxaline based oxime ligand for the synthesis of polynuclear Ni(ii) clusters","RSC Advances","2013","3","32","13214","","10.1039/c3ra41455h","","","0.71073","MoKα","","0.2115","0.0562","","","0.0485","0.0599","","","","","","0.889","","","","has coordinates,has disorder","232648","2020-10-21","18:00:00",""
"7235281","15.782","0.004","17.617","0.005","19.885","0.005","93.8","0.03","100.35","0.03","97","0.03","5376","3","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C102.8 H105 Cl N18 Ni5 O27.2 -","- C102.8 H102.2 Cl N18 Ni5 O27.2 -","- C205.6 H204.4 Cl2 N36 Ni10 O54.4 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Philippidis, Aggelos; Tzimopoulos, Demetrios I.; Fotopoulou, Eirini; Siczek, Milosz; Lis, Tadeusz; Milios, Constantinos J.","An indeno-quinoxaline based oxime ligand for the synthesis of polynuclear Ni(ii) clusters","RSC Advances","2013","3","32","13214","","10.1039/c3ra41455h","","","0.71073","MoKα","","0.1068","0.0643","","","0.1664","0.2008","","","","","","1.03","","","","has coordinates,has disorder","232648","2020-10-21","18:00:00",""
"7235282","18.314","0.007","18.903","0.006","19.287","0.006","96.06","0.03","106.28","0.03","101.89","0.03","6176","4","80","2","80","2","","","","","","","","6","P -1","-P 1","2","","","","- C130 H104 Cl2 N29.5 Ni7 O24.75 -","- C130 H102.5 Cl2 N29.5 Ni7 O24.75 -","- C260 H205 Cl4 N59 Ni14 O49.5 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Philippidis, Aggelos; Tzimopoulos, Demetrios I.; Fotopoulou, Eirini; Siczek, Milosz; Lis, Tadeusz; Milios, Constantinos J.","An indeno-quinoxaline based oxime ligand for the synthesis of polynuclear Ni(ii) clusters","RSC Advances","2013","3","32","13214","","10.1039/c3ra41455h","","","0.71073","MoKα","","0.2127","0.0901","","","0.1474","0.1914","","","","","","1.038","","","","has coordinates,has disorder","232648","2020-10-21","18:00:00",""
"7235283","17.608","0.005","18.43","0.005","21.084","0.006","81.07","0.03","82.32","0.03","83.47","0.03","6668","3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C135.75 H108.4 Cl2 N27 Ni8 O29.95 -","- C135.75 H108 Cl2 N27 Ni8 O29.95 -","- C271.5 H216 Cl4 N54 Ni16 O59.9 -","2","1","","Canaj, Angelos B.; Nodaraki, Lydia E.; Philippidis, Aggelos; Tzimopoulos, Demetrios I.; Fotopoulou, Eirini; Siczek, Milosz; Lis, Tadeusz; Milios, Constantinos J.","An indeno-quinoxaline based oxime ligand for the synthesis of polynuclear Ni(ii) clusters","RSC Advances","2013","3","32","13214","","10.1039/c3ra41455h","","","0.71073","MoKα","","0.174","0.0613","","","0.0903","0.1021","","","","","","1.019","","","","has coordinates,has disorder","232648","2020-10-21","18:00:00",""
"7235285","11.015","0.006","17.421","0.009","29.938","0.017","90","","93.99","0.01","90","","5731","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H19 Cl Co2 N5 O12 -","- C36 H19 Cl Co2 N5 O12 -","- C144 H76 Cl4 Co8 N20 O48 -","4","1","","Zou, Yang; Li, Yuanyuan; Yu, Chaoyong; Yin, Fei; Lah, Myoung Soo","A supramoleculear self-assembled flexible open framework based on the coordination of honeycomb layers possessing octahedral and tetrahedral CoII geometries","RSC Advances","2013","3","43","19889","","10.1039/c3ra43290d","","","0.71073","MoKα","","0.1565","0.0797","","","0.1894","0.2215","","","","","","0.836","","","","has coordinates","232652","2020-10-21","18:00:00",""
"7235286","9.6448","0.0004","12.0294","0.0005","12.29","0.0005","101.413","0.001","102.447","0.001","103.514","0.001","1306.74","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H58 Li2 N2 O8 P2 -","- C58 H58 Li2 N2 O8 P2 -","- C58 H58 Li2 N2 O8 P2 -","1","0.5","","Aleksanyan, D. V.; Kozlov, V. A.; Petrov, B. I.; Balashova, T. V.; Pushkarev, A. P.; Dmitrienko, A. O.; Fukin, G. K.; Cherkasov, A. V.; Bochkarev, M. N.; Lazarev, N. M.; Bessonova, Y. A.; Abakumov, G. A.","Lithium, zinc and scandium complexes of phosphorylated salicylaldimines: synthesis, structure, thermochemical and photophysical properties, and application in OLEDs","RSC Advances","2013","3","46","24484","","10.1039/c3ra43885f","","","0.71073","MoKα","","0.0599","0.0453","","","0.1137","0.1209","","","","","","1.043","","","","has coordinates","232655","2020-10-21","18:00:00",""
"7235287","29.3832","0.0018","10.1971","0.0006","24.3422","0.0015","90","","125.879","0.001","90","","5909.6","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H66 N4 O6 P2 Zn -","- C72 H66 N4 O6 P2 Zn -","- C288 H264 N16 O24 P8 Zn4 -","4","0.5","","Aleksanyan, D. V.; Kozlov, V. A.; Petrov, B. I.; Balashova, T. V.; Pushkarev, A. P.; Dmitrienko, A. O.; Fukin, G. K.; Cherkasov, A. V.; Bochkarev, M. N.; Lazarev, N. M.; Bessonova, Y. A.; Abakumov, G. A.","Lithium, zinc and scandium complexes of phosphorylated salicylaldimines: synthesis, structure, thermochemical and photophysical properties, and application in OLEDs","RSC Advances","2013","3","46","24484","","10.1039/c3ra43885f","","","0.71073","MoKα","","0.0538","0.0394","","","0.0929","0.0981","","","","","","1.049","","","","has coordinates","232657","2020-10-21","18:00:00",""
"7235288","15.59","0.004","7.2248","0.0016","14.053","0.003","90","","92.501","0.007","90","","1581.3","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H20 I4 O4 -","- C32 H20 I4 O4 -","- C64 H40 I8 O8 -","2","0.25","","Singha, Raju; Dhara, Shubhendu; Ray, Jayanta K.","Highly stereo-selective synthesis of (Z)-2,3-diiodo-1,4-diarylbut-2-ene-1,4-diones via oxidative iodination of 1,4-diarylbuta-1,3-diynes","RSC Advances","2013","3","46","23989","","10.1039/c3ra44965c","","","0.71073","MoKα","","0.0352","0.0257","","","0.058","0.0625","","","","","","1.042","","","","has coordinates","232658","2020-10-21","18:00:00",""
"7235351","8.0569","0.0001","9.2642","0.0002","18.9932","0.0004","90","","90.551","0.002","90","","1417.6","0.05","120","2","120","2","","","","","","","Synthetic","3","P 1 21/n 1","-P 2yn","14","","4,4'-(buta-1,3-diyne-1,4-diyl)bis(N,N-diphenylaniline)","","- C40 H28 N2 -","- C40 H28 N2 -","- C80 H56 N4 -","2","0.5","","Planells, Miquel; Abate, Antonio; Hollman, Derek J.; Stranks, Samuel D.; Bharti, Vishal; Gaur, Jitender; Mohanty, Dibyajyoti; Chand, Suresh; Snaith, Henry J.; Robertson, Neil","Diacetylene bridged triphenylamines as hole transport materials for solid state dye sensitized solar cells","Journal of Materials Chemistry A","2013","1","23","6949","","10.1039/c3ta11417a","","x-ray","1.54178","CuKα","","0.0427","0.036","","","0.0892","0.0941","","","","","","1.03","","","","has coordinates","232714","2020-10-21","18:00:00",""
"7235352","18.74123","0.00011","9.94915","0.00007","18.52083","0.00011","90","","90","","90","","3453.38","0.04","120","","120","","","","","","","","Synthetic","4","P c a 21","P 2c -2ac","29","","4,4'-(buta-1,3-diyne-1,4-diyl)bis(N,N-bis(4-methoxyphenyl)aniline)","","- C44 H36 N2 O4 -","- C44 H36 N2 O4 -","- C176 H144 N8 O16 -","4","1","","Planells, Miquel; Abate, Antonio; Hollman, Derek J.; Stranks, Samuel D.; Bharti, Vishal; Gaur, Jitender; Mohanty, Dibyajyoti; Chand, Suresh; Snaith, Henry J.; Robertson, Neil","Diacetylene bridged triphenylamines as hole transport materials for solid state dye sensitized solar cells","Journal of Materials Chemistry A","2013","1","23","6949","","10.1039/c3ta11417a","","x-ray","1.54184","CuKα","","0.0273","0.027","","0.0592","0.0589","0.0592","","","","","","1.0124","","","","has coordinates","232714","2020-10-21","18:00:00",""
"7238735","9.573","0.0005","15.2408","0.0009","16.3095","0.001","90","","91.996","0.002","90","","2378.1","0.2","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H90 N2 O13 -","- C36 H90 N2 O13 -","- C72 H180 N4 O26 -","2","1","","Rouch, Anne; Castellan, Tessa; Fabing, Isabelle; Saffon, Nathalie; Rodriguez, Jean; Constantieux, Thierry; Plaquevent, Jean-Christophe; Génisson, Yves","Tartrate-based ionic liquids: unified synthesis and characterisation","RSC Adv.","2013","3","2","413","","10.1039/C2RA21637J","","","0.71073","MoKα","","0.0953","0.0625","","","0.1579","0.1808","","","","","","1.031","","","","has coordinates,has disorder","244321","2020-10-21","18:00:00",""
"7238745","14.8729","0.0016","18.838","0.002","17.819","0.002","90","","111.125","0.002","90","","4656.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H81 N2 O2 Zr3 -","- C46 H81 N2 O2 Zr3 -","- C184 H324 N8 O8 Zr12 -","4","1","","Mukherjee, Arup; Sen, Tamal K.; Mandal, Swadhin K.; Maity, Bholanath; Koley, Debasis","Construction of oxygen-bridged multimetallic assembly: dual catalysts for hydroamination reactions","RSC Adv.","2013","3","4","1255","","10.1039/C2RA21778C","","","0.71073","MoKα","","0.0309","0.0238","","","0.0617","0.0664","","","","","","1.087","","","","has coordinates","244326","2020-10-21","18:00:00",""
"7238757","9.8376","0.0014","9.1284","0.0012","15.0458","0.0019","90","","95.922","0.009","90","","1343.9","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 B Cl4 F2 N2 O -","- C10 H5 B Cl4 F2 N2 O -","- C40 H20 B4 Cl16 F8 N8 O4 -","4","1","","Wang, Lu; Zhang, Yuhui; Xiao, Yi","meso-Alkoxy BODIPYs with a good balance between larger Stokes shifts and higher fluorescence quantum yields","RSC Advances","2013","3","7","2203","","10.1039/c2ra21920d","","","0.71073","MoKα","","0.0475","0.0384","","","0.1098","0.1159","","","","","","1.068","","","","has coordinates","244332","2020-10-21","18:00:00",""
"7238762","6.3422","0.001","9.6502","0.0005","40.63","0.004","90","","90","","90","","2486.7","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 F N2 O6 -","- C27 H25 F N2 O6 -","- C108 H100 F4 N8 O24 -","4","1","","Sen, Subhabrata; Kamma, Siva R.; Gundla, Rambabu; Adepally, Uma; Kuncha, Santosh; Thirnathi, Sridhar; Prasad, U. Viplava","A reagent based DOS strategy via Evans chiral auxiliary: highly stereoselective Michael reaction towards optically active quinolizidinones, piperidinones and pyrrolidinones","RSC Advances","2013","3","7","2404","","10.1039/c2ra22115b","","","1.54184","CuKα","","0.0627","0.0453","","","0.1046","0.1163","","","","","","0.934","","","","has coordinates","244336","2020-10-21","18:00:00",""
"7238764","9.5021","0.0013","11.2799","0.0014","24.739","0.003","90","","95.125","0.008","90","","2641","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N4 S -","- C22.4 H30.4 N3.2 S0.8 -","- C112 H152 N16 S4 -","5","1.25","","Sahoo, Santosh K.; Khatun, Nilufa; Gogoi, Anupal; Deb, Arghya; Patel, Bhisma K.","Cu(ii) catalysed chemoselective oxidative transformation of thiourea to thioamidoguanidine/2-aminobenzothiazole","RSC Adv.","2013","3","2","438","","10.1039/C2RA22240J","","","0.71073","MoKα","","0.1134","0.057","","","0.1242","0.1421","","","","","","1.045","","","","has coordinates","244338","2020-10-21","18:00:00",""
"7238765","10.1289","0.0003","11.2225","0.0003","11.7532","0.0004","94.059","0.002","112.599","0.002","107.266","0.002","1151.66","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H11 Br2 N2 O2 S2 -","- C11 H11 Br N2 O S -","- C44 H44 Br4 N8 O4 S4 -","4","2","","Sahoo, Santosh K.; Khatun, Nilufa; Gogoi, Anupal; Deb, Arghya; Patel, Bhisma K.","Cu(ii) catalysed chemoselective oxidative transformation of thiourea to thioamidoguanidine/2-aminobenzothiazole","RSC Adv.","2013","3","2","438","","10.1039/C2RA22240J","","","0.71073","MoKα","","0.0851","0.0435","","","0.0836","0.0866","","","","","","1.383","","","","has coordinates","244338","2020-10-21","18:00:00",""
"7238771","7.5536","0.0004","18.6217","0.0006","14.9419","0.0013","90","","93.727","0.006","90","","2097.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Cl2 Cu N2 -","- C26 H17 Cl2 Cu N2 -","- C104 H68 Cl8 Cu4 N8 -","4","1","","Kundu, Suman; Biswas, Manas Kumar; Banerjee, Ananya; Bhadra, Kakali; Kumar, Gopinatha Suresh; Drew, Michael G. B.; Bhadra, Ranjan; Ghosh, Prasanta","Synthesis, structure and DNA binding studies of 9-phenyldibenzo[a,c] phenazin-9-ium","RSC Advances","2013","3","9","3054","","10.1039/c2ra22317a","","","0.71073","MoKα","","0.0606","0.0322","","","0.0789","0.088","","","","","","0.856","","","","has coordinates","244340","2020-10-21","18:00:00",""
"7238772","16.0226","0.001","21.7926","0.0011","8.8475","0.0006","90","","90","","90","","3089.3","0.3","393","2","393","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H31 Co Fe O P2 S2 -","- C34 H31 Co Fe O P2 S2 -","- C136 H124 Co4 Fe4 O4 P8 S8 -","4","0.5","","Gao, Hui; Huang, Jing; Chen, Limin; Liu, Ruliang; Chen, Jinzhu","Synthesis, characterization and computational study of heterobimetallic CoFe complexes for mimicking hydrogenase","RSC Advances","2013","3","11","3557","","10.1039/c2ra22388k","","","0.71073","MoKα","","0.0471","0.0352","","","0.0862","0.0904","","","","","","0.98","","","","has coordinates","244341","2020-10-21","18:00:00",""
"7238773","9.2896","0.0016","19.504","0.004","20.846","0.004","90","","90","","90","","3777","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H17 Cl N2 O3 -","- C23 H17 Cl N2 O3 -","- C184 H136 Cl8 N16 O24 -","8","1","","Khurana, Jitender M.; Lumb, Anshika; Chaudhary, Ankita; Nand, Bhaskara","Synthesis and in vitro evaluation of antioxidant activity of diverse naphthopyranopyrimidines, diazaanthra[2,3-d][1,3]dioxole-7,9-dione and tetrahydrobenzo[a]xanthen-11-ones","RSC Adv.","2013","3","6","1844","","10.1039/C2RA22406B","","","0.71073","MoKα","","0.0785","0.0552","","","0.1161","0.126","","","","","","1.031","","","","has coordinates","244342","2020-10-21","18:00:00",""
"7238776","5.8519","0.0004","11.3138","0.0008","15.5758","0.0011","76.561","0.004","84.861","0.003","89.129","0.003","998.94","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 F2 N2 O3 -","- C23 H24 F2 N2 O3 -","- C46 H48 F4 N4 O6 -","2","1","","Dandia, Anshu; Jain, Anuj K.; Sharma, Sonam","CuFe2O4 nanoparticles as a highly efficient and magnetically recoverable catalyst for the synthesis of medicinally privileged spiropyrimidine scaffolds","RSC Advances","2013","3","9","2924","","10.1039/c2ra22477a","","","0.71073","MoKα","","0.0784","0.0558","","","0.1642","0.2024","","","","","","1.07","","","","has coordinates","244344","2020-10-21","18:00:00",""
"7238777","5.86514","0.00013","14.6361","0.0003","18.7566","0.0003","90","","94.0394","0.0018","90","","1606.12","0.05","120","1","120","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","D469","","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C72 H76 N12 S4 -","4","1","","Jishkariani, Davit; Hall, C. Dennis; Oliferenko, Alexander; Tomlin, Blake J.; Steel, Peter J.; Katritzky, Alan R.","Thermal fragmentation of spirodithiohydantoins: A novel route to NHCs","RSC Adv.","2013","3","6","1669","","10.1039/C2RA22487A","","","1.54184","CuKα","","0.0426","0.0335","","","0.0865","0.0937","","","","","","1.03","","","","has coordinates","244345","2020-10-21","18:00:00",""
"7238781","16.348","0.003","16.635","0.003","20.293","0.004","89.29","0.03","87.12","0.03","68.48","0.03","5127","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H93 Cd2 N7 Ni2 O19 -","- C68 H64 Cd2 N4 Ni2 O16 -","- C136 H128 Cd4 N8 Ni4 O32 -","2","1","","Ren, Yanwei; Shi, Yanchao; Chen, Junxian; Yang, Shaorong; Qi, Chaorong; Jiang, Huanfeng","Ni(salphen)-based metal‒organic framework for the synthesis of cyclic carbonates by cycloaddition of CO2 to epoxides","RSC Advances","2013","3","7","2167","","10.1039/c2ra22550f","","","0.71073","MoKα","","0.1333","0.081","","","0.2369","0.265","","","","","","0.947","","","","has coordinates","244348","2020-10-21","18:00:00",""
"7238782","9.924","0.0011","12.4951","0.0014","8.6343","0.0009","90","","90","","90","","1070.7","0.2","295","2","295","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H10 N O5 P Zn -","- C9 H10 N O5 P Zn -","- C36 H40 N4 O20 P4 Zn4 -","4","1","","Chu, Wei; Zhu, Yan-Yu; Sun, Zhen-Gang; Jiao, Cheng-Qi; Li, Jing; Sun, Shou-Hui; Tian, Hui; Zheng, Ming-Jing","Zinc(ii) and cadmium(ii) carboxyphosphonates with a 3D pillared-layered structure: synthesis, crystal structures, high thermal stabilities and luminescent properties","RSC Adv.","2013","3","2","623","","10.1039/C2RA22571A","","","0.71073","MoKα","","0.072","0.048","","","0.0847","0.0934","","","","","","1.036","","","","has coordinates","244349","2020-10-21","18:00:00",""
"7238783","7.6418","0.0011","12.739","0.0018","24.237","0.004","90","","90","","90","","2359.4","0.6","295","2","295","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C9 H11 Cd Cl N O5 P -","- C9 H11 Cd Cl N O5 P -","- C72 H88 Cd8 Cl8 N8 O40 P8 -","8","1","","Chu, Wei; Zhu, Yan-Yu; Sun, Zhen-Gang; Jiao, Cheng-Qi; Li, Jing; Sun, Shou-Hui; Tian, Hui; Zheng, Ming-Jing","Zinc(ii) and cadmium(ii) carboxyphosphonates with a 3D pillared-layered structure: synthesis, crystal structures, high thermal stabilities and luminescent properties","RSC Adv.","2013","3","2","623","","10.1039/C2RA22571A","","","0.71073","MoKα","","0.0663","0.0382","","","0.075","0.0862","","","","","","1.007","","","","has coordinates","244349","2020-10-21","18:00:00",""
"7238784","15.143","0.0004","13.8141","0.0004","17.0179","0.0005","90","","90","","90","","3559.92","0.17","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24.33 H25.33 Al N3 O6 -","- C30.6667 H20 N4 O5.33333 -","- C184 H120 N24 O32 -","6","0.75","","Goswami, Shyamaprosad; Aich, Krishnendu; Das, Avijit Kumar; Manna, Abhishek; Das, Sangita","A naphthalimide‒quinoline based probe for selective, fluorescence ratiometric sensing of trivalent ions","RSC Advances","2013","3","7","2412","","10.1039/c2ra22624c","","","0.71073","MoKα","","0.055","0.0394","","","0.1237","0.1561","","","","","","0.627","","","","has coordinates","244350","2020-10-21","18:00:00",""
"7238785","10.1813","0.0014","11.4717","0.0015","13.7287","0.0018","92.49","0.002","91.719","0.002","107.966","0.002","1522.3","0.4","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 Cl N3 O -","- C13 H15 Cl N3 O -","- C52 H60 Cl4 N12 O4 -","4","2","","Xiang, Dexuan; Bi, Xihe; Liao, Peiqiu; Fang, Guichun; Wang, Zikun; Xin, Xiaoqing; Dong, Dewen","Solvent-controlled, regio-switchable formation of 3-/5-arylaminopyrazole isomer in cyclocondensation of β-aminoenones with hydrazides: intermolecular hydrogen bonding plays a role","RSC Adv.","2013","3","2","386","","10.1039/C2RA22647B","","","0.71073","MoKα","","0.1146","0.0779","","","0.2134","0.2315","","","","","","1.061","","","","has coordinates","244351","2020-10-21","18:00:00",""
"7238786","9.012","0.003","9.445","0.002","15.967","0.004","90","","90","","90","","1359.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Cl0 N3 O -","- C14 H17 N3 O -","- C56 H68 N12 O4 -","4","1","","Xiang, Dexuan; Bi, Xihe; Liao, Peiqiu; Fang, Guichun; Wang, Zikun; Xin, Xiaoqing; Dong, Dewen","Solvent-controlled, regio-switchable formation of 3-/5-arylaminopyrazole isomer in cyclocondensation of β-aminoenones with hydrazides: intermolecular hydrogen bonding plays a role","RSC Adv.","2013","3","2","386","","10.1039/C2RA22647B","","","0.71069","MoKα","","0.0677","0.0547","","","0.1391","0.148","","","","","","1.067","","","","has coordinates","244351","2020-10-21","18:00:00",""
"7238787","24.007","0.0017","13.3108","0.0007","24.2954","0.0014","90","","90","","90","","7763.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C46 H40 N6 O S3 -","- C46 H40 N6 O S3 -","- C368 H320 N48 O8 S24 -","8","1","","Elumalai, Palani; Rajakannu, Palanisamy; Hussain, Firasat; Sathiyendiran, Malaichamy","Design strategy for arranging an aromatic cyclic trimer into a tripodal molecule","RSC Advances","2013","3","7","2171","","10.1039/c2ra22679k","","","0.71073","MoKα","","0.158","0.0909","","","0.1479","0.1739","","","","","","1.133","","","","has coordinates","244352","2020-10-21","18:00:00",""
"7238788","17.2659","0.0004","14.8731","0.0004","18.4787","0.0005","90","","94.267","0.003","90","","4732.1","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H64 B2 N2 -","- C57 H64 B2 N2 -","- C228 H256 B8 N8 -","4","1","","Mirjafari, Arsalan; Pham, Lam N.; McCabe, John R.; Mobarrez, Niloufar; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Sykora, Richard E.; Davis, James H.","Building a bridge between aprotic and protic ionic liquids","RSC Adv.","2013","3","2","337","","10.1039/C2RA22752E","","","0.71073","MoKα","","0.064","0.0433","","","0.0944","0.1044","","","","","","1.026","","","","has coordinates","244353","2020-10-21","18:00:00",""
"7238789","12.1683","0.0006","13.3609","0.0004","16.6212","0.0008","90","","98.35","0.004","90","","2673.6","0.2","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 F12 N4 O8 S4 -","- C12 H20 F12 N4 O8 S4 -","- C48 H80 F48 N16 O32 S16 -","4","1","","Mirjafari, Arsalan; Pham, Lam N.; McCabe, John R.; Mobarrez, Niloufar; Salter, E. Alan; Wierzbicki, Andrzej; West, Kevin N.; Sykora, Richard E.; Davis, James H.","Building a bridge between aprotic and protic ionic liquids","RSC Adv.","2013","3","2","337","","10.1039/C2RA22752E","","","0.71073","MoKα","","0.0862","0.0547","","","0.1189","0.1375","","","","","","1.023","","","","has coordinates,has disorder","244353","2020-10-21","18:00:00",""
"7238790","5.9527","0.0003","10.0187","0.0005","20.8776","0.001","90","","90","","90","","1245.1","0.11","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 N3 S -","- C15 H11 N3 S -","- C60 H44 N12 S4 -","4","1","","Chen, Chung-Yu; Yang, Cheng-Hao; Hu, Wan-Ping; Kishore Vandavasi, Jaya; Chung, Mei-Ing; Wang, Jeh-Jeng","Synthesis of fused triazolo[4,5-d]quinoline/chromene/thiochromene derivatives via palladium catalysis mediated by tetrabutylammonium iodide","RSC Advances","2013","3","8","2710","","10.1039/c2ra22799a","","x-ray","0.71073","MoKα","","0.0412","0.0352","","","0.0794","0.0834","","","","","","1.033","","","","has coordinates","244354","2020-10-21","18:00:00",""
"7238791","9.5689","0.0005","14.041","0.0007","11.5099","0.0006","90","","91.885","0.005","90","","1545.6","0.14","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N4 O3 -","- C18 H16 N4 O3 -","- C72 H64 N16 O12 -","4","1","","Chen, Chung-Yu; Yang, Cheng-Hao; Hu, Wan-Ping; Kishore Vandavasi, Jaya; Chung, Mei-Ing; Wang, Jeh-Jeng","Synthesis of fused triazolo[4,5-d]quinoline/chromene/thiochromene derivatives via palladium catalysis mediated by tetrabutylammonium iodide","RSC Advances","2013","3","8","2710","","10.1039/c2ra22799a","","x-ray","0.71073","MoKα","","0.0717","0.0501","","","0.1158","0.1298","","","","","","1.012","","","","has coordinates","244354","2020-10-21","18:00:00",""
"7238792","9.7873","0.0002","13.851","0.0003","11.8661","0.0002","90","","90.573","0.002","90","","1608.53","0.06","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Chen, Chung-Yu; Yang, Cheng-Hao; Hu, Wan-Ping; Kishore Vandavasi, Jaya; Chung, Mei-Ing; Wang, Jeh-Jeng","Synthesis of fused triazolo[4,5-d]quinoline/chromene/thiochromene derivatives via palladium catalysis mediated by tetrabutylammonium iodide","RSC Advances","2013","3","8","2710","","10.1039/c2ra22799a","","x-ray","1.54178","CuKα","","0.0471","0.0394","","","0.1102","0.1145","","","","","","1.074","","","","has coordinates","244354","2020-10-21","18:00:00",""
"7238793","7.692","0.003","20.23","0.007","14.097","0.005","90","","94.13","0.009","90","","2187.9","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 F24 N4 O P4 -","- C37 H34 F24 N4 O P4 -","- C74 H68 F48 N8 O2 P8 -","2","0.5","","Xi, Hai-Tao; Zhao, Ting; Sun, Xiao-Qiang; Miao, Chun-Bao; Zong, Ting; Meng, Qi","Rapid and efficient solvent-free synthesis of cyclophanes based on bipyridinium under mechanical ball milling","RSC Adv.","2013","3","3","691","","10.1039/C2RA22802E","","","0.71073","MoKα","","0.2205","0.0744","","","0.1323","0.1699","","","","","","1.009","","","","has coordinates,has disorder","244355","2020-10-21","18:00:00",""
"7238794","10.0819","0.0018","10.9811","0.0019","14.025","0.003","68.984","0.005","76.417","0.005","79.993","0.005","1402","0.5","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C37 H35 F24 N5 O7 P4 -","- C37 H35 F24 N5 O7 P4 -","- C37 H35 F24 N5 O7 P4 -","1","1","","Xi, Hai-Tao; Zhao, Ting; Sun, Xiao-Qiang; Miao, Chun-Bao; Zong, Ting; Meng, Qi","Rapid and efficient solvent-free synthesis of cyclophanes based on bipyridinium under mechanical ball milling","RSC Adv.","2013","3","3","691","","10.1039/C2RA22802E","","","0.71073","MoKα","","0.2429","0.1188","","","0.2914","0.3799","","","","","","1.047","","","","has coordinates","244355","2020-10-21","18:00:00",""
"7238795","30.293","0.004","9.286","0.0009","23.902","0.003","90","","126.001","0.012","90","","5439.5","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H44 N4 O12 Zn2 -","- C64 H44 N4 O12 Zn2 -","- C256 H176 N16 O48 Zn8 -","4","0.5","","Phukan, Nithi; Baruah, Jubaraj B.","A supramolecular assembly and complexes of zinc 2-hydoxy-3-naphthoate","RSC Adv.","2013","3","4","1151","","10.1039/C2RA22811D","","","0.71073","MoKα","","0.0893","0.0699","","","0.2291","0.2398","","","","","","1.159","","","","has coordinates","244356","2020-10-21","18:00:00",""
"7238796","29.846","0.003","10.3057","0.001","38.188","0.003","90","","99.598","0.005","90","","11581.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H48 N4 O14 Zn2 -","- C68 H45 N4 O14 Zn2 -","- C544 H360 N32 O112 Zn16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","A supramolecular assembly and complexes of zinc 2-hydoxy-3-naphthoate","RSC Adv.","2013","3","4","1151","","10.1039/C2RA22811D","","","0.71073","MoKα","","0.1983","0.0631","","","0.1493","0.1808","","","","","","0.854","","","","has coordinates","244357","2020-10-21","18:00:00",""
"7238797","8.9838","0.0007","11.7412","0.0009","12.3478","0.0011","90","","98.822","0.006","90","","1287.04","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N O3 -","- C16 H12 N O3 -","- C64 H48 N4 O12 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","A supramolecular assembly and complexes of zinc 2-hydoxy-3-naphthoate","RSC Adv.","2013","3","4","1151","","10.1039/C2RA22811D","","","0.71073","MoKα","","0.1423","0.0465","","","0.0792","0.0972","","","","","","0.773","","","","has coordinates","244358","2020-10-21","18:00:00",""
"7238798","13.6247","0.0003","10.5447","0.0002","20.8365","0.0005","90","","96.106","0.002","90","","2976.56","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 N2 O6 Zn -","- C35 H28 N2 O6 Zn -","- C140 H112 N8 O24 Zn4 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","A supramolecular assembly and complexes of zinc 2-hydoxy-3-naphthoate","RSC Adv.","2013","3","4","1151","","10.1039/C2RA22811D","","","0.71073","MoKα","","0.068","0.0448","","","0.0773","0.0874","","","","","","1.05","","","","has coordinates","244359","2020-10-21","18:00:00",""
"7238799","7.082","0.001","8.632","0.001","10.345","0.001","65.37","0.01","88.98","0.01","83.89","0.01","571.36","0.13","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C28 H30 N2 O4 -","2","1","","Agarwal, Sameer; Kataeva, Olga; Schmidt, Ulrike; Knölker, Hans-Joachim","Silver(i)-promoted oxidative cyclisation to pyrrolo[2,1-a]isoquinolines and application to the synthesis of (±)-crispine A","RSC Adv.","2013","3","4","1089","","10.1039/C2RA22823H","","","0.71073","MoKα","","0.0735","0.0428","","","0.0925","0.106","","","","","","1.061","","","","has coordinates","244360","2020-10-21","18:00:00",""
"7238800","13.9744","0.0004","14.0021","0.0004","19.6538","0.0008","72.123","0.001","81.273","0.001","79.907","0.001","3583.6","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H92 N12 O4 S4 -","- C68 H92 N12 O4 S4 -","- C136 H184 N24 O8 S8 -","2","1","","Zhao, Haiyang; Zhan, Junyan; Zou, Zhilong; Miao, Fajun; Chen, Hong; Zhang, Li; Cao, Xianliang; Tian, Deimei; Li, Haibing","Novel 1,3-alternate thiacalix[4]arenes: click synthesis, silver ion binding and self-assembly","RSC Adv.","2013","3","4","1029","","10.1039/C2RA22831A","","","0.71073","MoKα","","0.0827","0.0595","","","0.1702","0.1836","","","","","","1.002","","","","has coordinates,has disorder","244362","2020-10-21","18:00:00",""
"7238801","14.74","0.003","7.292","0.0015","7.574","0.0015","90","","111.61","0.03","90","","756.9","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2.5 H2.5 N2.5 O2.5 -","- C2.5 H2.5 N2.5 O2.5 -","- C20 H20 N20 O20 -","8","1","","Liu, Jin-Jian; Liu, Zu-Liang; Cheng, Jian; Fang, Dong","Synthesis, crystal structure and properties of energetic complexes constructed from transition metal cations (Fe and Co) and ANPyO","RSC Advances","2013","3","9","2917","","10.1039/c2ra22839d","","","0.71073","MoKα","","0.0638","0.0493","","","0.1482","0.1625","","","","","","1.007","","","","has coordinates","244363","2020-10-21","18:00:00",""
"7238802","11.808","0.002","12.955","0.003","14.764","0.003","114.5","0.03","93.46","0.03","109","0.03","1892.4","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H33 Co N18 O18 -","- C24 H33 Co N18 O18 -","- C48 H66 Co2 N36 O36 -","2","1","","Liu, Jin-Jian; Liu, Zu-Liang; Cheng, Jian; Fang, Dong","Synthesis, crystal structure and properties of energetic complexes constructed from transition metal cations (Fe and Co) and ANPyO","RSC Advances","2013","3","9","2917","","10.1039/c2ra22839d","","","0.71073","MoKα","","0.1599","0.078","","","0.1462","0.1739","","","","","","1.001","","","","has coordinates","244363","2020-10-21","18:00:00",""
"7238803","11.715","0.002","12.9","0.003","14.978","0.003","68.45","0.03","89.43","0.03","73.76","0.03","2010.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Fe N18 O18.5 -","- C24 H34 Fe N18 O18.5 -","- C48 H68 Fe2 N36 O37 -","2","1","","Liu, Jin-Jian; Liu, Zu-Liang; Cheng, Jian; Fang, Dong","Synthesis, crystal structure and properties of energetic complexes constructed from transition metal cations (Fe and Co) and ANPyO","RSC Advances","2013","3","9","2917","","10.1039/c2ra22839d","","","0.71073","MoKα","","0.168","0.0763","","","0.1336","0.1669","","","","","","1.001","","","","has coordinates","244363","2020-10-21","18:00:00",""
"7238804","23.7915","0.0017","14.0624","0.001","19.667","0.002","90","","119.796","0.001","90","","5710","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Cu Mo4 N4 O16 -","- C18 H24 Cu Mo4 N4 O16 -","- C144 H192 Cu8 Mo32 N32 O128 -","8","1","","Wang, XiuLi; Xu, Chuang; Lin, HongYan; Liu, GuoCheng; Luan, Jian; Chang, ZhiHan","Two novel octamolybdate-based frameworks decorated by flexible bis-pyridyl-bis-amide ligands with different spacer lengths","RSC Advances","2013","3","11","3592","","10.1039/c2ra22855f","","","0.71073","MoKα","","0.0335","0.0261","","","0.0679","0.0717","","","","","","0.988","","","","has coordinates,has disorder","244364","2020-10-21","18:00:00",""
"7238805","8.6427","0.0006","12.3466","0.0009","12.8266","0.001","96.667","0.001","94.739","0.001","101.744","0.001","1323.02","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H20 Cu Mo4 N4 O18 -","- C14 H18 Cu Mo4 N4 O18 -","- C28 H36 Cu2 Mo8 N8 O36 -","2","1","","Wang, XiuLi; Xu, Chuang; Lin, HongYan; Liu, GuoCheng; Luan, Jian; Chang, ZhiHan","Two novel octamolybdate-based frameworks decorated by flexible bis-pyridyl-bis-amide ligands with different spacer lengths","RSC Advances","2013","3","11","3592","","10.1039/c2ra22855f","","","0.71073","MoKα","","0.0255","0.0214","","","0.055","0.0568","","","","","","1.027","","","","has coordinates,has disorder","244365","2020-10-21","18:00:00",""
"7238806","32.099","0.006","6.2507","0.0005","18.637","0.003","90","","122.027","0.006","90","","3170.2","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 O3 S -","- C17 H20 O3 S -","- C136 H160 O24 S8 -","8","1","","Seike, Aya; Yamagami, Kaoru; Kakitani, Yoshimasa; Kuwajima, Miki; Uoyama, Hiroki; Nagaoka, Shin-ichi; Nakae, Takahiro; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, structure and properties of ethyl naphth[2,3-f]isoindole-1-carboxylate","RSC Advances","2013","3","9","3006","","10.1039/c2ra22870j","","","0.7107","MoKα","","0.0429","0.0377","","","0.0947","0.0988","","","","","","1.056","","","","has coordinates","244366","2020-10-21","18:00:00",""
"7238807","8.651","0.004","9.558","0.004","17.186","0.007","90","","94.3","0.006","90","","1417","1.1","120","2","120","0","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C64 H84 N4 O12 -","4","1","","Seike, Aya; Yamagami, Kaoru; Kakitani, Yoshimasa; Kuwajima, Miki; Uoyama, Hiroki; Nagaoka, Shin-ichi; Nakae, Takahiro; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, structure and properties of ethyl naphth[2,3-f]isoindole-1-carboxylate","RSC Advances","2013","3","9","3006","","10.1039/c2ra22870j","","","0.71075","MoKα","","0.0413","0.0396","","","0.0934","0.095","","","","","","1.05","","","","has coordinates","244366","2020-10-21","18:00:00",""
"7238808","10.023","0.002","12.899","0.003","9.221","0.0018","90","","115.59","0.003","90","","1075.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Seike, Aya; Yamagami, Kaoru; Kakitani, Yoshimasa; Kuwajima, Miki; Uoyama, Hiroki; Nagaoka, Shin-ichi; Nakae, Takahiro; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, structure and properties of ethyl naphth[2,3-f]isoindole-1-carboxylate","RSC Advances","2013","3","9","3006","","10.1039/c2ra22870j","","","0.7107","MoKα","","0.0626","0.0578","","","0.1602","0.1699","","","","","","1.177","","","","has coordinates","244366","2020-10-21","18:00:00",""
"7238809","3.86191","0.00015","21.4583","0.0009","16.3912","0.0007","90","","93.24","0.007","90","","1356.17","0.1","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H26 N2 O4 -","- C38 H26 N2 O4 -","- C76 H52 N4 O8 -","2","1","","Seike, Aya; Yamagami, Kaoru; Kakitani, Yoshimasa; Kuwajima, Miki; Uoyama, Hiroki; Nagaoka, Shin-ichi; Nakae, Takahiro; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu","Synthesis, structure and properties of ethyl naphth[2,3-f]isoindole-1-carboxylate","RSC Advances","2013","3","9","3006","","10.1039/c2ra22870j","","","1.54187","CuKα","","0.1051","0.0948","","","0.2188","0.2327","","","","","","1.008","","","","has coordinates","244366","2020-10-21","18:00:00",""
"7238810","6.9284","0.0004","8.1002","0.0005","9.1236","0.0005","75.226","0.003","85.617","0.003","66.772","0.003","454.8","0.05","173","","173","","","","","","","","","3","P -1","-P 1","2","3-hydroxy-4-phenyl-3-cyclobutene-1,2-dione","3-hydroxy-4-phenyl-3-cyclobutene-1,2-dione","","- C10 H8 O4 -","- C10 H8 O4 -","- C20 H16 O8 -","2","1","","Ohsedo, Yutaka; Miyamoto, Misao; Oono, Masashi; Shikii, Kazuaki; Tanaka, Akihiro","Hydrogel formed by a simple squaric acid derivative","RSC Advances","2013","3","12","3844","","10.1039/c2ra22921h","","","1.54178","CuKα","","0.0373","0.0362","","","0.098","0.0993","","","","","","1.012","","","","has coordinates","244367","2020-10-21","18:00:00",""
"7238811","13.1373","0.0002","18.6703","0.0003","30.2795","0.0005","90","","95.792","0.001","90","","7389","0.2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C114 H147 Eu3 N46 O23 W3 -","- C114 H147 Eu3 N46 O23 W3 -","- C228 H294 Eu6 N92 O46 W6 -","2","1","","Chorazy, Szymon; Nakabayashi, Koji; Ozaki, Noriaki; Pełka, Robert; Fic, Tomasz; Mlynarski, Jacek; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Thermal switching between blue and red luminescence in magnetic chiral cyanido-bridged EuIII‒WVcoordination helices","RSC Adv.","2013","3","4","1065","","10.1039/C2RA23033J","","","0.71075","MoKα","","0.0396","0.0374","","","0.0899","0.0908","","","","","","1.122","","","","has coordinates,has disorder","244368","2020-10-21","18:00:00",""
"7238812","13.1255","0.0003","18.6363","0.0003","30.2302","0.0006","90","","95.662","0.001","90","","7358.6","0.3","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C114 H147 Eu3 N46 O23 W3 -","- C114 H147 Eu3 N46 O23 W3 -","- C228 H294 Eu6 N92 O46 W6 -","2","1","","Chorazy, Szymon; Nakabayashi, Koji; Ozaki, Noriaki; Pełka, Robert; Fic, Tomasz; Mlynarski, Jacek; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Thermal switching between blue and red luminescence in magnetic chiral cyanido-bridged EuIII‒WVcoordination helices","RSC Adv.","2013","3","4","1065","","10.1039/C2RA23033J","","","0.71075","MoKα","","0.0452","0.041","","","0.0835","0.0862","","","","","","1.075","","","","has coordinates,has disorder","244368","2020-10-21","18:00:00",""
"7238813","7.133","0.002","9.113","0.003","17.801","0.006","89.141","0.01","79.247","0.008","84.05","0.008","1130.7","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 Br N2 O7 -","- C23 H23 Br N2 O7 -","- C46 H46 Br2 N4 O14 -","2","1","","Jia, Yang; Du, Da-Ming","Catalyst-free, one-pot three-component 1,3-dipolar cycloaddition of diethyl 2-aminomalonate, benzaldehydes and 3-nitro-2H-chromenes","RSC Adv.","2013","3","6","1970","","10.1039/C2RA23035F","","","0.71073","MoKα","","0.0519","0.0392","","","0.0908","0.0965","","","","","","0.999","","","","has coordinates","244369","2020-10-21","18:00:00",""
"7238814","11.75","0.005","15.514","0.005","16.213","0.005","72.754","0.005","85.225","0.005","73.299","0.005","2703.5","1.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H63 Fe3 N3 O3 -","- C69 H63 Fe3 N3 O3 -","- C138 H126 Fe6 N6 O6 -","2","1","","Maragani, Ramesh; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh","C3 symmetric ferrocenyl triazines: synthesis, structure, and properties","RSC Advances","2013","3","9","2889","","10.1039/c2ra23153k","","","0.71073","MoKα","","0.0839","0.072","","","0.2014","0.2135","","","","","","1.038","","","","has coordinates","244370","2020-10-21","18:00:00",""
"7238815","6.8796","0.0003","18.3527","0.0007","7.5914","0.0003","90","","92.61","0.002","90","","957.49","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N O4 -","- C24 H19 N O4 -","- C48 H38 N2 O8 -","2","1","","Rana, Sunil; Brown, Mike; Mukhopadhyay, Chhanda","FeCl3 catalysed multicomponent divergent synthesis of a library of indeno-fused heterocycles","RSC Advances","2013","3","10","3291","","10.1039/c2ra23332k","","","0.71073","MoKα","","0.0437","0.0362","","","0.0901","0.0949","","","","","","1.039","","","","has coordinates","244371","2020-10-21","18:00:00",""
"7238816","13.2463","0.0015","10.6252","0.0013","21.094","0.002","90","","103.473","0.005","90","","2887.2","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 N O6 -","- C32 H33 N O6 -","- C128 H132 N4 O24 -","4","1","","Rana, Sunil; Brown, Mike; Mukhopadhyay, Chhanda","FeCl3 catalysed multicomponent divergent synthesis of a library of indeno-fused heterocycles","RSC Advances","2013","3","10","3291","","10.1039/c2ra23332k","","","0.71073","MoKα","","0.1394","0.072","","","0.1789","0.2159","","","","","","1.035","","","","has coordinates","244371","2020-10-21","18:00:00",""
"7238817","15.366","0.002","10.1563","0.0014","18.42","0.003","90","","107.313","0.002","90","","2744.4","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 N O6 -","- C33 H27 N O6 -","- C132 H108 N4 O24 -","4","1","","Rana, Sunil; Brown, Mike; Mukhopadhyay, Chhanda","FeCl3 catalysed multicomponent divergent synthesis of a library of indeno-fused heterocycles","RSC Advances","2013","3","10","3291","","10.1039/c2ra23332k","","","0.71073","MoKα","","0.103","0.0621","","","0.1879","0.2192","","","","","","1.051","","","","has coordinates","244371","2020-10-21","18:00:00",""
"7238818","8.4764","0.0013","26.185","0.004","10.0293","0.0016","90","","93.002","0.004","90","","2223","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 N O4 -","- C29 H21 N O4 -","- C116 H84 N4 O16 -","4","1","","Rana, Sunil; Brown, Mike; Mukhopadhyay, Chhanda","FeCl3 catalysed multicomponent divergent synthesis of a library of indeno-fused heterocycles","RSC Advances","2013","3","10","3291","","10.1039/c2ra23332k","","","0.71073","MoKα","","0.0747","0.0541","","","0.1302","0.1445","","","","","","1.064","","","","has coordinates","244371","2020-10-21","18:00:00",""
"7238819","28.72","0.003","15.8481","0.0011","14.2792","0.001","90","","100.32","0.003","90","","6394.1","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 In4 N8 Te6 -","- C12 H36 In4 N8 Te6 -","- C96 H288 In32 N64 Te48 -","8","1","","Zhang, Ruibo; Emge, Thomas J.; Zheng, Chong; Li, Jing","The first single-sized (∼1 nm) and periodically ordered array of In2Te3semiconductor quantum dots self-assembled in solution","J. Mater. Chem. A","2013","1","2","199","","10.1039/C2TA00050D","","","0.71073","MoKα","","0.0811","0.0514","","","0.1225","0.1366","","","","","","1.008","","","","has coordinates,has disorder","244384","2020-10-21","18:00:00",""
"7238820","21.5221","0.0015","21.5221","0.0015","66.232","0.008","90","","90","","120","","26569","4","160","2","160","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C52 H33 Cd6 N7 O30 -","- C52 H29 Cd6 N7 O30 -","- C468 H261 Cd54 N63 O270 -","9","0.5","","Li, Yun-Wu; Li, Jian-Rong; Wang, Li-Fu; Zhou, Bo-Yu; Chen, Qiang; Bu, Xian-He","Microporous metal‒organic frameworks with open metal sites as sorbents for selective gas adsorption and fluorescence sensors for metal ions","J. Mater. Chem. A","2013","1","3","495","","10.1039/C2TA00635A","","","0.71073","MoKα","","0.0402","0.0387","","","0.0855","0.0861","","","","","","0.956","","","","has coordinates,has disorder","244385","2020-10-21","18:00:00",""
"7238821","22.045","0.003","22.045","0.003","22.495","0.005","90","","90","","90","","10932","3","386","2","386","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C24 H10 N3 O13 Zn3 -","- C24 H10 N3 O13 Zn3 -","- C192 H80 N24 O104 Zn24 -","8","0.5","","Li, Yun-Wu; Li, Jian-Rong; Wang, Li-Fu; Zhou, Bo-Yu; Chen, Qiang; Bu, Xian-He","Microporous metal‒organic frameworks with open metal sites as sorbents for selective gas adsorption and fluorescence sensors for metal ions","J. Mater. Chem. A","2013","1","3","495","","10.1039/C2TA00635A","","","0.71073","MoKα","","0.0596","0.0461","","","0.1245","0.1316","","","","","","1.045","","","","has coordinates,has disorder","244385","2020-10-21","18:00:00",""
"7238822","18.5676","0.0007","18.5676","0.0007","52.205","0.003","90","","90","","120","","15586.7","1.2","293","2","293","2","","","","","","","","6","R 3 2 :H","R 3 2""","155","","","","- C18 H7 Cl Cu N0 O6 -","- C18 H7 Cl Cu O6 -","- C324 H126 Cl18 Cu18 O108 -","18","1","","He, Yabing; Xiang, Shengchang; Zhang, Zhangjing; Xiong, Shunshun; Wu, Chuande; Zhou, Wei; Yildirim, Taner; Krishna, Rajamani; Chen, Banglin","A microporous metal‒organic framework assembled from an aromatic tetracarboxylate for H2 purification","Journal of Materials Chemistry A","2013","1","7","2543","","10.1039/c2ta01260j","","","1.54178","CuKα","","0.0962","0.0715","","","0.1895","0.2237","","","","","","0.975","","","","has coordinates","244386","2020-10-21","18:00:00",""
"7238823","8.7709","0.0012","5.7826","0.0008","13.318","0.0018","90","","98.504","0.006","90","","668.04","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H3 N5 O3 -","- C4 H3 N5 O3 -","- C16 H12 N20 O12 -","4","1","","He, Chunlin; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","4-Chloro-3,5-dinitropyrazole: a precursor for promising insensitive energetic compounds","Journal of Materials Chemistry A","2013","1","8","2863","","10.1039/c2ta01359b","","","0.71073","MoKα","","0.0989","0.0422","","","0.0848","0.1037","","","","","","1.022","","","","has coordinates","244387","2020-10-21","18:00:00",""
"7238824","6.4359","0.0004","12.7184","0.0007","15.8769","0.001","90","","90","","90","","1299.59","0.14","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3,5-dinitro-1H-pyrazole-1,4-diamine","","- C3 H4 N6 O4 -","- C3 H4 N6 O4 -","- C24 H32 N48 O32 -","8","1","","He, Chunlin; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","4-Chloro-3,5-dinitropyrazole: a precursor for promising insensitive energetic compounds","Journal of Materials Chemistry A","2013","1","8","2863","","10.1039/c2ta01359b","","","0.71073","MoKα","","0.0304","0.0286","","","0.0768","0.0784","","","","","","1.063","","","","has coordinates","244387","2020-10-21","18:00:00",""
"7238825","10.6408","0.0009","16.2706","0.001","7.5669","0.0007","90","","110.783","0.008","90","","1224.83","0.18","290","","290","","","","","","","","","5","A 1 2 1","A 2y","5","4-bromo-4'nitrobenzylidene aniline","4-bromo-4'nitrobenzylidene aniline","","- C13 H9 Br N2 O2 -","- C13 H9 Br N2 O2 -","- C52 H36 Br4 N8 O8 -","4","1","","Subashini, Ashokkumar; Leela, Sundararaman; Ramamurthi, Kandasamy; Arakcheeva, Alla; Stoeckli-Evans, Helen; Petříček, Vaclav; Chapuis, Gervais; Pattison, Philip; Reji, Philip","Synthesis, growth and characterization of 4-bromo-4′-nitrobenzylidene aniline (BNBA): a novel nonlinear optical material with a (3+1)-dimensional incommensurately modulated structure","CrystEngComm","2013","15","13","2474","","10.1039/c3ce26663j","","","0.7","synchrotron","","0.0488","0.0296","","","0.0302","0.0312","","","","1.66","1.66","1.31","","","","has coordinates","244396","2020-10-21","18:00:00",""
"7238826","10.5217","0.001","16.2535","0.0016","7.4403","0.0007","90","","110.709","0.007","90","","1190.2","0.2","","","173","","","","","","","","","5","A 1 2 1","A 2y","5","BNBA","4-bromo-4'nitrobenzylidene aniline","","- C13 H9 Br N2 O2 -","- C6.5 H4.5 Br0.5 N O -","- C26 H18 Br2 N4 O4 -","4","1","","Subashini, Ashokkumar; Leela, Sundararaman; Ramamurthi, Kandasamy; Arakcheeva, Alla; Stoeckli-Evans, Helen; Petříček, Vaclav; Chapuis, Gervais; Pattison, Philip; Reji, Philip","Synthesis, growth and characterization of 4-bromo-4′-nitrobenzylidene aniline (BNBA): a novel nonlinear optical material with a (3+1)-dimensional incommensurately modulated structure","CrystEngComm","2013","15","13","2474","","10.1039/c3ce26663j","","","0.71073","MoKα","","0.0718","0.0473","","","0.0448","0.0471","","","","2.01","2.01","1.76","","","","has coordinates","244396","2020-10-21","18:00:00",""
"7238827","24.1322","0.0007","8.2047","0.0003","15.471","0.0005","90","","90","","90","","3063.22","0.17","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C61 H63 F6 N12 Ni2 O12.5 -","- C61 H63 F6 N12 Ni2 O12.5 -","- C122 H126 F12 N24 Ni4 O25 -","2","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.122","0.0613","","","0.123","0.1637","","","","","","1.018","","","","has coordinates,has disorder","244397","2020-10-21","18:00:00",""
"7238828","13.0719","0.0006","15.3456","0.0006","21.2185","0.0009","94.012","0.002","106.478","0.002","106.321","0.002","3864.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H80 N12 Ni3 O27 -","- C74 H80 N12 Ni3 O27 -","- C148 H160 N24 Ni6 O54 -","2","1","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.1691","0.0976","","","0.2334","0.2976","","","","","","0.985","","","","has coordinates,has disorder","244397","2020-10-21","18:00:00",""
"7238829","18.927","0.0008","15.5587","0.0007","15.9579","0.0006","90","","113.848","0.001","90","","4298.1","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H42 N8 Ni2 O11 -","- C44 H42 N8 Ni2 O11 -","- C176 H168 N32 Ni8 O44 -","4","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.0997","0.0731","","","0.2187","0.2468","","","","","","1.07","","","","has coordinates,has disorder","244397","2020-10-21","18:00:00",""
"7238830","13.5733","0.0005","15.9205","0.0007","20.8014","0.0009","90","","90","","90","","4495.1","0.3","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H44 Cd2 N8 O12 -","- C45 H44 Cd2 N8 O12 -","- C180 H176 Cd8 N32 O48 -","4","0.5","","Lin, Jian-Wen; Thanasekaran, Pounraj; Chang, Jing-Shang; Wu, Jing-Yun; Lai, Long-Li; Lu, Kuang-Lieh","Host‒guest key‒lock hydrogen-bonding interactions: a rare case in the design of a V-shaped polycarboxylate Ni(ii)-based chiral coordination polymer","CrystEngComm","2013","15","45","9798","","10.1039/c3ce41047a","","","0.71073","MoKα","","0.1024","0.0814","","","0.169","0.1761","","","","","","1.401","","","","has coordinates","244397","2020-10-21","18:00:00",""
"7238831","9.7539","0.0015","19.227","0.003","24.684","0.004","90","","90","","90","","4629.2","1.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H24 N12 Na2 O34 Zn5 -","- C30 H24 N12 Na2 O34 Zn5 -","- C120 H96 N48 Na8 O136 Zn20 -","4","0.5","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0504","0.0448","","","0.1266","0.1303","","","","","","1.043","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238832","10.559","0.003","10.857","0.003","11.426","0.003","108.323","0.004","108.209","0.004","93.566","0.004","1162.3","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H13 Cl N6 Na4 O14 -","- C15 H13 Cl N6 Na4 O14 -","- C30 H26 Cl2 N12 Na8 O28 -","2","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.1","0.093","","","0.2139","0.2179","","","","","","1.215","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238833","5.3371","0.0016","10.693","0.003","18.67","0.006","80.696","0.005","84.7","0.005","86.105","0.006","1045.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Mg2 N6 O13 -","- C15 H14 Mg2 N6 O13 -","- C30 H28 Mg4 N12 O26 -","2","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0873","0.0759","","","0.1642","0.1703","","","","","","1.211","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238834","22.799","0.004","10.812","0.002","10.723","0.002","90","","109.793","0.003","90","","2487.1","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Cu2 N6 O18 -","- C15 H14 Cu2 N6 O18 -","- C60 H56 Cu8 N24 O72 -","4","0.5","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0554","0.0469","","","0.1191","0.1233","","","","","","1.135","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238835","20.045","0.004","12.656","0.003","21.157","0.004","90","","90.688","0.004","90","","5366.9","1.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 Cu2 N6 O20 -","- C15 H13 Cu2 N6 O20 -","- C120 H104 Cu16 N48 O160 -","8","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.1161","0.1139","","","0.2269","0.2279","","","","","","1.192","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238836","14.005","0.006","10.324","0.004","19.368","0.008","90","","102.13","0.007","90","","2737.9","1.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N6 O21 Zn2 -","- C15 H14 N6 O21 Zn2 -","- C60 H56 N24 O84 Zn8 -","4","1","","Goswami, Pramod Kumar; Singh, Monika; Thaimattam, Ram; Ramanan, Arunachalam","Extending the supramolecular synthon concept in flexible polyaminocarboxylate based coordination polymers","CrystEngComm","2013","15","45","9787","","10.1039/c3ce41067f","","","0.71073","MoKα","","0.0579","0.049","","","0.1258","0.1313","","","","","","1.121","","","","has coordinates","244398","2020-10-21","18:00:00",""
"7238837","10.31","","13.738","","15.829","","67.25","","81.91","","89.77","","2043.88","","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H29 Ag B F4 N3 O10 S3 -","- C30 H27 Ag B F4 N3 O10 S3 -","- C60 H54 Ag2 B2 F8 N6 O20 S6 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0961","0.0756","","","0.1995","0.2115","","","","","","1.013","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238838","11.2552","0.0011","13.6464","0.0014","16.3098","0.0016","110.448","0.002","100.874","0.002","95.504","0.002","2269.2","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H38.5 Ag F6 N3 O11.75 S3 Sb -","- C30 H33 Ag F6 N3 O11.75 S3 Sb -","- C60 H66 Ag2 F12 N6 O23.5 S6 Sb2 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0706","0.0506","","","0.1489","0.1674","","","","","","1.053","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238839","10.6004","0.0012","11.6175","0.0014","12.1474","0.0014","83.729","0.002","83.464","0.002","74.505","0.002","1427.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H19 Ag F3 N3 O10 -","- C28 H15 Ag F3 N3 O10 -","- C56 H30 Ag2 F6 N6 O20 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0542","0.0448","","","0.1293","0.1394","","","","","","1.014","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238840","10.8496","0.0015","12.2389","0.0017","13.0651","0.0018","92.079","0.002","93.681","0.002","92.701","0.002","1728","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C28 H22 Ag Cl3 F3 N3 O10 S2 -","- C28 H21.759 Ag Cl3 F3 N3 O10 S2 -","- C56 H43.518 Ag2 Cl6 F6 N6 O20 S4 -","2","1","","Xiong, Ying; Yang, Rui; Chen, Sha; Jiang, Ji-Jun; Su, Cheng-Yong","Assembly of Ag(i) coordination polymers from a tripyridyl-ester ligand: effects of counter anion, ligand conformation and π‒π interaction on non-interpenetrating 2D →3D dimension increase","CrystEngComm","2013","15","45","9751","","10.1039/c3ce41071d","","","0.71073","MoKα","","0.0983","0.0665","","","0.1762","0.2107","","","","","","0.846","","","","has coordinates,has disorder","244399","2020-10-21","18:00:00",""
"7238841","10.099","0.002","16.811","0.003","15.251","0.003","90","","96.81","0.03","90","","2571","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Cd N2 O10 -","- C22 H23 Cd N2 O10 -","- C88 H92 Cd4 N8 O40 -","4","1","","Zhang, Xiaoping; Zhou, Jingmin; Shi, Wei; Zhang, Zhenjie; Cheng, Peng","Two cadmium(ii) coordination polymers constructed by carboxylate and pyridine mixed ligands: synthesis, structure and luminescent properties","CrystEngComm","2013","15","45","9738","","10.1039/c3ce41073k","","","0.71073","MoKα","","0.0822","0.0733","","","0.1709","0.1761","","","","","","1.053","","","","has coordinates","244400","2020-10-21","18:00:00",""
"7238842","10.5925","0.001","19.4409","0.0018","23.682","0.002","73.744","0.001","83.661","0.002","89.712","0.002","4651.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H53 Cd6 N9 O29.5 -","- C83 H53 Cd6 N9 O29.25 -","- C166 H106 Cd12 N18 O58.5 -","2","1","","Zhang, Xiaoping; Zhou, Jingmin; Shi, Wei; Zhang, Zhenjie; Cheng, Peng","Two cadmium(ii) coordination polymers constructed by carboxylate and pyridine mixed ligands: synthesis, structure and luminescent properties","CrystEngComm","2013","15","45","9738","","10.1039/c3ce41073k","","","0.71075","MoKα","","0.0916","0.0693","","","0.1858","0.1997","","","","","","1.094","","","","has coordinates,has disorder","244400","2020-10-21","18:00:00",""
"7238843","10.8861","0.0008","10.2944","0.0008","14.3534","0.0008","90","","120.868","0.004","90","","1380.68","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cd F2 N2 O4 -","- C12 H6 Cd F2 N2 O4 -","- C48 H24 Cd4 F8 N8 O16 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0366","0.0349","","","0.0921","0.0936","","","","","","1.072","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238844","15.1219","0.0008","9.4338","0.0005","9.0516","0.0005","90","","113.688","0.001","90","","1182.48","0.11","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H6 Cd F2 N2 O4 -","- C12 H6 Cd F2 N2 O4 -","- C48 H24 Cd4 F8 N8 O16 -","4","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0185","0.018","","","0.0435","0.0439","","","","","","1.094","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238845","13.9287","0.0015","12.7175","0.0014","6.9109","0.0008","90","","95.088","0.002","90","","1219.4","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cd Cl F N2 O3 -","- C9 H10 Cd Cl F N2 O3 -","- C36 H40 Cd4 Cl4 F4 N8 O12 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.021","0.0178","","","0.0405","0.0418","","","","","","1.027","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238846","11.1319","0.0006","9.9512","0.0005","14.2568","0.0006","90","","120.015","0.003","90","","1367.51","0.12","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Cd Cl2 N2 O4 -","- C12 H6 Cd Cl2 N2 O4 -","- C48 H24 Cd4 Cl8 N8 O16 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0233","0.0191","","","0.043","0.0445","","","","","","1.037","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238847","5.6741","0.0014","9.26","0.002","15.044","0.004","90","","104.33","0.008","90","","765.9","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cd Cl2 N2 O6 -","- C12 H10 Cd Cl2 N2 O6 -","- C24 H20 Cd2 Cl4 N4 O12 -","2","0.5","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.018","0.0161","","","0.0426","0.0439","","","","","","1.085","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238848","14.1516","0.0006","12.6704","0.0006","7.0376","0.0003","90","","93.615","0.001","90","","1259.38","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cd Cl2 N2 O3 -","- C9 H10 Cd Cl2 N2 O3 -","- C36 H40 Cd4 Cl8 N8 O12 -","4","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0223","0.0194","","","0.0434","0.0446","","","","","","1.057","","","","has coordinates","244401","2020-10-21","18:00:00",""
"7238849","15.2423","0.0008","17.1026","0.0008","15.0777","0.0007","90","","120.312","0.001","90","","3393.2","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H12 Cd Cl2 N2 O5.5 -","- C13.5 H7 Cd Cl2 N2 O5.5 -","- C108 H56 Cd8 Cl16 N16 O44 -","8","1","","Li, Cheng-Peng; Chen, Jing; Liu, Peng-Wen; Du, Miao","Structural diversity and fluorescent properties of CdII coordination polymers with 5-halonicotinates regulated by solvent and ligand halogen-substituting effect","CrystEngComm","2013","15","45","9713","","10.1039/c3ce41116h","","","0.71073","MoKα","","0.0408","0.0312","","","0.0786","0.0835","","","","","","1.069","","","","has coordinates,has disorder","244401","2020-10-21","18:00:00",""
"7238850","16.6263","0.0003","12.7971","0.0003","14.4678","0.0003","90","","90","","90","","3078.29","0.11","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C17 H28 B2 Cu2 F8 N4 O12 -","- C17 H24 B2 Cu2 F7.992 N4 O12 -","- C68 H96 B8 Cu8 F31.968 N16 O48 -","4","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0639","0.0578","","","0.1562","0.1597","","","","","","1.163","","","","has coordinates,has disorder","244402","2020-10-21","18:00:00",""
"7238851","15.6203","0.0016","11.564","0.002","14.8705","0.0014","90","","90","","90","","2686.1","0.6","130","2","130","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C14 H14 B2 Cu2 F8 N4 O8 -","- C14 H14 B2 Cu2 F8 N4 O8 -","- C56 H56 B8 Cu8 F32 N16 O32 -","4","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.1507","0.0784","","","0.2015","0.2428","","","","","","0.97","","","","has coordinates,has disorder","244402","2020-10-21","18:00:00",""
"7238852","12.4176","0.0002","22.5346","0.0003","10.1644","0.0002","90","","107.054","0.002","90","","2719.19","0.08","130","2","130","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C16 H28 Cu3 F6 N4 O14 Si -","- C16 H28 Cu3 F6 N4 O14 Si -","- C64 H112 Cu12 F24 N16 O56 Si4 -","4","1","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0282","0.0266","","","0.0687","0.0699","","","","","","1.056","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7238853","7.1674","0.0006","7.5711","0.0008","8.4825","0.0011","109.937","0.011","94.919","0.008","116.156","0.009","372.9","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cu N4 O8 -","- C14 H14 Cu N4 O8 -","- C14 H14 Cu N4 O8 -","1","0.5","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0836","0.0818","","","0.3175","0.3181","","","","","","1.331","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7238854","12.3883","0.0003","12.3883","0.0003","14.5923","0.0004","90","","90","","90","","2239.48","0.1","130","2","130","2","","","","","","","","8","P -4 2 c","P -4 2c","112","","","","- C28 H42 B Cu2 F4 N8 Na O23 -","- C28 H28 B Cu2 F4 N8 Na O23 -","- C56 H56 B2 Cu4 F8 N16 Na2 O46 -","2","0.25","","Abrahams, Brendan F.; Maynard-Casely, Helen E.; Robson, Richard; White, Keith F.","Copper(ii) coordination polymers of imdc− (H2imdc+ = the 1,3-bis(carboxymethyl)imidazolium cation): unusual sheet interpenetration and an unexpected single crystal-to-single crystal transformation","CrystEngComm","2013","15","45","9729","","10.1039/c3ce41226a","","","1.54184","CuKα","","0.0624","0.0569","","","0.1636","0.1715","","","","","","1.073","","","","has coordinates","244402","2020-10-21","18:00:00",""
"7238855","20.109","0.0007","20.109","0.0007","20.109","0.0007","90","","90","","90","","8131.5","0.5","293","2","293","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","HHU-1","","","- C18 H18 Co4 N6 O7 -","- C18 H18 Co4 N6 O5.5 -","- C144 H144 Co32 N48 O44 -","8","0.0833333","","Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph","Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node","CrystEngComm","2013","15","45","9757","","10.1039/c3ce41426d","","","1.5418","CuKα","","0.0814","0.0723","","","0.2078","0.2203","","","","","","1.157","","","","has coordinates,has disorder","244403","2020-10-21","18:00:00",""
"7238856","20.071","0.003","20.071","0.003","20.071","0.003","90","","90","","90","","8086","2","293","2","293","2","","","","","","","","5","F -4 3 m","F -4 2 3","216","HHU-2","","","- C18 H18 N6 O7 Zn4 -","- C18 H18 N6 O7 Zn4 -","- C144 H144 N48 O56 Zn32 -","8","0.0833333","","Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph","Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node","CrystEngComm","2013","15","45","9757","","10.1039/c3ce41426d","","","1.5418","CuKα","","0.0491","0.0376","","","0.0937","0.0998","","","","","","1.001","","","","has coordinates,has disorder","244403","2020-10-21","18:00:00",""
"7238857","14.242","0.003","14.278","0.003","14.332","0.004","90","","90","","90","","2914.4","1.2","95","2","95","2","","","","","","","","5","P 2 2 2","P 2 2","16","HHU-3","","","- C36 H20 Co4 N6 O7 -","- C36 H20 Co4 N6 O7 -","- C36 H20 Co4 N6 O7 -","1","0.25","","Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph","Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node","CrystEngComm","2013","15","45","9757","","10.1039/c3ce41426d","","","1.54178","CuKα","","0.112","0.0691","","","0.1453","0.1574","","","","","","0.923","","","","has coordinates,has disorder","244403","2020-10-21","18:00:00",""
"7238858","19.063","0.002","19.875","0.002","19.898","0.002","92.131","0.002","112.476","0.002","112.5","0.002","6285.6","1.1","90","2","90","2","","","","","","","","3","P -1","-P 1","2","3H2","","","- C40 H34 O7 -","- C40 H34 O7 -","- C320 H272 O56 -","8","4","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.1117","0.0733","","","0.1964","0.2376","","","","","","1.031","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238859","20.9859","0.001","16.4295","0.0008","9.2328","0.0004","90","","114.34","0.001","90","","2900.4","0.2","90","2","90","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3Me2","","","- C38 H30 O6 -","- C38 H30 O6 -","- C152 H120 O24 -","4","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.0481","0.038","","","0.0975","0.1055","","","","","","1.013","","","","has coordinates","244404","2020-10-21","18:00:00",""
"7238860","11.335","0.005","14.854","0.005","15.823","0.005","90","","106.14","0.005","90","","2559.1","1.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5H2","","","- C64 H64 O8 -","- C64 H64 O8 -","- C128 H128 O16 -","2","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71069","MoKα","","0.1442","0.0879","","","0.2333","0.2769","","","","","","1.037","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238861","18.978","0.005","23.17","0.005","23.477","0.005","87.73","0.005","68.378","0.005","68.299","0.005","8861","4","90","2","90","2","","","","","","","","5","P -1","-P 1","2","PMOF-1","","","- C348 H314 N16 O61 Zn8 -","- C348 H304 N16 O61 Zn8 -","- C348 H304 N16 O61 Zn8 -","1","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.1332","0.0958","","","0.2697","0.2908","","","","","","1.081","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238862","8.5277","0.0006","16.9942","0.0012","17.4044","0.0012","113.501","0.004","101.299","0.004","95.99","0.004","2221","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","TMOF-3","","","- C47 H52 N4 O9 Zn -","- C47 H51 N4 O9 Zn -","- C94 H102 N8 O18 Zn2 -","2","1","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","0.71073","MoKα","","0.1064","0.0767","","","0.2123","0.2357","","","","","","1.036","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238863","11.3952","0.0007","16.0546","0.0009","25.1653","0.0016","84.376","0.004","82.666","0.004","78.759","0.004","4465.9","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","TMOF-3-bipy","","","- C223 H174 Cl5 N11 O27 Zn4 -","- C221.668 H174.89 Cl4.778 N11 O27 Zn4 -","- C221.668 H174.89 Cl4.778 N11 O27 Zn4 -","1","0.5","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","1.54178","CuKα","","0.0872","0.0798","","","0.22","0.2343","","","","","","1.031","","","","has coordinates,has disorder","244404","2020-10-21","18:00:00",""
"7238864","33.48","0.02","33.48","0.02","105.59","0.07","90","","90","","120","","102500","11","90","2","90","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","TMOF-4","","","- C216 H148 O39 Zn7 -","- C216 H144 O39 Zn7 -","- C2592 H1728 O468 Zn84 -","12","0.333333","","Crane, Angela K.; Wong, Elaine Y. L.; MacLachlan, Mark J.","Metal‒organic frameworks from novel flexible triptycene- and pentiptycene-based ligands","CrystEngComm","2013","15","45","9811","","10.1039/c3ce41459k","","","1.54178","CuKα","","0.1737","0.1166","","","0.3416","0.3755","","","","","","1.266","","","","has coordinates","244404","2020-10-21","18:00:00",""
"7238865","14.7153","0.0013","9.0139","0.0008","16.3787","0.0014","90","","107.313","0.003","90","","2074.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br2 Cd N5 -","- C21 H17 Br2 Cd N5 -","- C84 H68 Br8 Cd4 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0694","0.0388","","","0.1037","0.1258","","","","","","0.815","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238866","14.578","0.003","8.8123","0.0016","16.385","0.003","90","","108.323","0.006","90","","1998.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl2 Hg N5 -","- C21 H17 Cl2 Hg N5 -","- C84 H68 Cl8 Hg4 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0802","0.043","","","0.1108","0.1294","","","","","","0.817","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238867","14.706","0.002","9.0229","0.0014","16.359","0.003","90","","107.064","0.004","90","","2075.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br2 Hg N5 -","- C21 H17 Br2 Hg N5 -","- C84 H68 Br8 Hg4 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0284","0.0218","","","0.0809","0.0868","","","","","","0.732","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238868","14.586","0.005","9.65","0.003","16.442","0.006","90","","105.081","0.011","90","","2234.6","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Hg I2 N5 -","- C21 H17 Hg I2 N5 -","- C84 H68 Hg4 I8 N20 -","4","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.0925","0.0403","","","0.1046","0.1303","","","","","","0.792","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238869","10.338","0.014","10.672","0.014","11.641","0.016","69.36","0.04","86.54","0.04","78.69","0.04","1178","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 Cd I2 N5 O2 -","- C21 H17 Cd I2 N5 O2 -","- C42 H34 Cd2 I4 N10 O4 -","2","1","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.3896","0.1411","","","0.2649","0.3272","","","","","","0.777","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238870","14.449","0.003","8.2156","0.0014","20.383","0.004","90","","109.156","0.005","90","","2285.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H42 Cl6 Cu3 N10 O4 -","- C42 H34 Cl6 Cu3 N10 O4 -","- C84 H68 Cl12 Cu6 N20 O8 -","2","0.5","","Dey, Avishek; Mandal, Sumit K.; Biradha, Kumar","Metal‒organic gels and coordination networks of pyridine-3,5-bis(1-methyl-benzimidazole-2-yl) and metal halides: self sustainability, mechano, chemical responsiveness and gas and dye sorptions","CrystEngComm","2013","15","45","9769","","10.1039/c3ce41501e","","","0.71073","MoKα","","0.1193","0.0624","","","0.15","0.1834","","","","","","1.057","","","","has coordinates","244405","2020-10-21","18:00:00",""
"7238871","17.946","0.003","19.663","0.004","16.913","0.003","90","","97.455","0.002","90","","5917.7","1.9","273","2","273","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C18 H108 Cu7 N18 O96 P2 W22 -","- C18 H72 Cu7 N18 O96 P2 W22 -","- C36 H144 Cu14 N36 O192 P4 W44 -","2","0.25","","Li, Shaobin; Zhu, Wei; Ma, Huiyuan; Pang, Haijun; Liu, Heng; Yu, Tingting","Structure and bifunctional electrocatalytic activity of a novel 3D framework based on dimeric monocopper-substituted polyoxoanions as ten-connected linkages","RSC Advances","2013","3","25","9770","","10.1039/c3ra00018d","","","0.71073","MoKα","","0.1084","0.0651","","","0.1545","0.1787","","","","","","1.041","","","","has coordinates","244437","2020-10-21","18:00:00",""
"7238872","9.8335","0.0007","8.2851","0.0006","12.1849","0.0008","90","","102.006","0","90","","971.01","0.12","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 N5 O2 -","- C9 H7 N5 O2 -","- C36 H28 N20 O8 -","4","1","","Saiprathima, Parvathaneni; Srinivas, Keesara; Sridhar, Balasubramanian; Rao, Mandapati Mohan","“On water” one-pot synthesis of quaternary centered 3-hydroxy-3-(1H-tetrazol-5-yl)indolin-2-ones","RSC Advances","2013","3","21","7708","","10.1039/c3ra00021d","","","0.71073","MoKα","","0.0348","0.0337","","","0.0887","0.0898","","","","","","1.028","","","","has coordinates","244438","2020-10-21","18:00:00",""
"7238873","12.6583","0.0008","7.1048","0.0004","15.7542","0.001","90","","104.404","0.001","90","","1372.31","0.15","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N6 O -","- C15 H12 N6 O -","- C60 H48 N24 O4 -","4","1","","Saiprathima, Parvathaneni; Srinivas, Keesara; Sridhar, Balasubramanian; Rao, Mandapati Mohan","“On water” one-pot synthesis of quaternary centered 3-hydroxy-3-(1H-tetrazol-5-yl)indolin-2-ones","RSC Advances","2013","3","21","7708","","10.1039/c3ra00021d","","","0.71073","MoKα","","0.0385","0.0365","","","0.0952","0.0976","","","","","","1.092","","","","has coordinates","244438","2020-10-21","18:00:00",""
"7238874","18.05","0.004","6.754","0.0014","21.429","0.004","90","","90","","90","","2612.4","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C26 H32 Br2 N4 -","- C26 H32 Br2 N4 -","- C104 H128 Br8 N16 -","4","1","","Yang, Wei; Gou, Gao-Zhang; Wang, Yi; Fu, Wen-Fu","Abnormal bis-NHC mediated aerial oxidation of arylaldehydes: highly efficient transformation of arylaldehydes to the corresponding carboxylic acids catalyzed by organic catalysts","RSC Advances","2013","3","18","6334","","10.1039/c3ra00046j","","","0.71073","MoKα","","0.1203","0.0553","","","0.1322","0.1715","","","","","","1.064","","","","has coordinates","244439","2020-10-21","18:00:00",""
"7238875","6.8588","0.0014","18.823","0.004","22.137","0.004","90","","93.85","0.03","90","","2851.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Br2 N4 O -","- C27 H36 Br2 N4 O -","- C108 H144 Br8 N16 O4 -","4","1","","Yang, Wei; Gou, Gao-Zhang; Wang, Yi; Fu, Wen-Fu","Abnormal bis-NHC mediated aerial oxidation of arylaldehydes: highly efficient transformation of arylaldehydes to the corresponding carboxylic acids catalyzed by organic catalysts","RSC Advances","2013","3","18","6334","","10.1039/c3ra00046j","","","0.71073","MoKα","","0.0905","0.0401","","","0.0851","0.1154","","","","","","1.066","","","","has coordinates","244439","2020-10-21","18:00:00",""
"7238876","14.276","0.003","9.1205","0.0018","13.007","0.003","90","","113.75","0.03","90","","1550.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 Br2 N4 -","- C28 H36 Br2 N4 -","- C56 H72 Br4 N8 -","2","0.5","","Yang, Wei; Gou, Gao-Zhang; Wang, Yi; Fu, Wen-Fu","Abnormal bis-NHC mediated aerial oxidation of arylaldehydes: highly efficient transformation of arylaldehydes to the corresponding carboxylic acids catalyzed by organic catalysts","RSC Advances","2013","3","18","6334","","10.1039/c3ra00046j","","","0.71073","MoKα","","0.1437","0.1107","","","0.337","0.3575","","","","","","1.113","","","","has coordinates","244439","2020-10-21","18:00:00",""
"7238877","10.427","0.002","19.086","0.004","19.748","0.004","90","","90","","90","","3930","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O4 S -","- C22 H18 N2 O4 S -","- C176 H144 N16 O32 S8 -","8","1","","Wu, Jiaping; Shang, Yongjia; Wang, Cuie; He, Xinwei; Yan, Zhenglei; Hu, Manman; Zhou, Fuyin","Synthesis of 3,4-dihydro-2H-1,4-benzo[b]thiazine derivatives via DABCO-catalyzed one-pot three-component condensation reactions","RSC Advances","2013","3","14","4643","","10.1039/c3ra00123g","","","0.71073","MoKα","","0.0549","0.0407","","","0.1047","0.117","","","","","","1.024","","","","has coordinates","244440","2020-10-21","18:00:00",""
"7238878","10.1879","0.001","10.7179","0.001","11.053","0.0011","95.363","0.001","109.891","0.001","115.952","0.001","977.64","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Cl2 N O S -","- C22 H17 Cl2 N O S -","- C44 H34 Cl4 N2 O2 S2 -","2","1","","Wu, Jiaping; Shang, Yongjia; Wang, Cuie; He, Xinwei; Yan, Zhenglei; Hu, Manman; Zhou, Fuyin","Synthesis of 3,4-dihydro-2H-1,4-benzo[b]thiazine derivatives via DABCO-catalyzed one-pot three-component condensation reactions","RSC Advances","2013","3","14","4643","","10.1039/c3ra00123g","","","0.71073","MoKα","","0.0446","0.038","","","0.1012","0.1077","","","","","","1.043","","","","has coordinates","244440","2020-10-21","18:00:00",""
"7238879","16.8695","0.0014","10.4525","0.0008","27.352","0.003","90","","103.47","0.005","90","","4690.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 F3 N3 O -","- C28 H20 F3 N3 O -","- C224 H160 F24 N24 O8 -","8","1","","Gunasekaran, Pethaiah; Indumathi, Sethuraman; Perumal, Subbu","l-Proline-catalyzed three-component domino reactions in the regioselective synthesis of novel densely functionalized pyrazolo[3,4-b]pyridines","RSC Advances","2013","3","22","8318","","10.1039/c3ra00136a","","","0.71073","MoKα","","0.0974","0.0487","","","0.1193","0.1432","","","","","","1.029","","","","has coordinates","244441","2020-10-21","18:00:00",""
"7238880","10.9142","0.0008","14.4914","0.0011","16.5792","0.0012","68.963","0.001","85.539","0.001","79.574","0.001","2406.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","work","","","- C52 H68 O12 -","- C52 H68 O12 -","- C104 H136 O24 -","2","1","","Ngodwana, Lonwabo; Kleinhans, Dewald J.; Smuts, Anri-Jacques; van Otterlo, Willem A. L.; Arnott, Gareth E.","Selective derivatisation of resorcinarene ethers via an ortholithiation approach","RSC Advances","2013","3","12","3873","","10.1039/c3ra00141e","","","0.71073","MoKα","","0.0531","0.0443","","","0.1111","0.1169","","","","","","1.021","","","","has coordinates","244442","2020-10-21","18:00:00",""
"7238881","15.7383","0.0004","50.6519","0.0011","18.0535","0.0004","90","","90","","90","","14391.8","0.6","150","2","150","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C88 H80 Fe4 O4 -","- C88 H80 Fe4 O4 -","- C704 H640 Fe32 O32 -","8","1","","Sharma, Rekha; Margani, Ramesh; Mobin, Shaikh M.; Misra, Rajneesh","Ferrocenyl substituted calixarenes: synthesis, structure and properties","RSC Advances","2013","3","17","5785","","10.1039/c3ra00146f","","","0.71073","MoKα","","0.0788","0.0672","","","0.1628","0.1715","","","","","","1.066","","","","has coordinates","244443","2020-10-21","18:00:00",""
"7238882","10.7641","0.0013","31.164","0.004","16.577","0.002","90","","103.768","0.006","90","","5401","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H29 F2 N3 O2 -","- C31 H29 F2 N3 O2 -","- C248 H232 F16 N24 O16 -","8","2","","Dandia, Anshu; Jain, Anuj K.; Laxkar, Ashok K.","Synthesis and biological evaluation of highly functionalized dispiro heterocycles","RSC Advances","2013","3","22","8422","","10.1039/c3ra00170a","","","0.71073","MoKα","","0.1163","0.0607","","","0.1647","0.2067","","","","","","0.986","","","","has coordinates","244444","2020-10-21","18:00:00",""
"7238883","7.745","0.0002","9.8432","0.0002","10.1768","0.0002","84.638","0.001","73.912","0.001","75.135","0.001","720.29","0.03","100","","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H16 Cl N O3 -","- C16 H16 Cl N O3 -","- C32 H32 Cl2 N2 O6 -","2","1","","Wu, Dong-Dong; Huang, Cheng-Mei; Wu, Yi-Han; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Acid-mediated transformation of spirocyclopropyl oxetanes: a facile approach to spirocyclopropyl butenolides and γ-butyrolactones","RSC Advances","2013","3","20","7529","","10.1039/c3ra00178d","","","0.71073","MoKα","","0.0346","0.0319","","","0.0902","0.0929","","","","","","1.04","","","","has coordinates,has disorder","244445","2020-10-21","18:00:00",""
"7238884","9.2655","0.0007","9.3737","0.0007","33.083","0.003","90","","90","","90","","2873.3","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","1","","Wu, Dong-Dong; Huang, Cheng-Mei; Wu, Yi-Han; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Acid-mediated transformation of spirocyclopropyl oxetanes: a facile approach to spirocyclopropyl butenolides and γ-butyrolactones","RSC Advances","2013","3","20","7529","","10.1039/c3ra00178d","","","0.71073","MoKα","","0.0712","0.0485","","","0.1356","0.1531","","","","","","1.024","","","","has coordinates","244445","2020-10-21","18:00:00",""
"7238885","9.6909","0.0005","15.7393","0.0008","9.9721","0.0006","90","","111.376","0.001","90","","1416.39","0.13","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl I N O2 -","- C14 H13 Cl I N O2 -","- C56 H52 Cl4 I4 N4 O8 -","4","1","","Wu, Dong-Dong; Huang, Cheng-Mei; Wu, Yi-Han; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Acid-mediated transformation of spirocyclopropyl oxetanes: a facile approach to spirocyclopropyl butenolides and γ-butyrolactones","RSC Advances","2013","3","20","7529","","10.1039/c3ra00178d","","","0.71073","MoKα","","0.0561","0.0445","","","0.1066","0.1142","","","","","","1.054","","","","has coordinates","244445","2020-10-21","18:00:00",""
"7238886","13.3795","0.0007","12.7454","0.0008","17.2339","0.001","90","","90","","90","","2938.8","0.3","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C136 H152 N8 O32 -","8","1","","Wu, Dong-Dong; Huang, Cheng-Mei; Wu, Yi-Han; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan","Acid-mediated transformation of spirocyclopropyl oxetanes: a facile approach to spirocyclopropyl butenolides and γ-butyrolactones","RSC Advances","2013","3","20","7529","","10.1039/c3ra00178d","","","0.71073","MoKα","","0.0517","0.0405","","","0.1059","0.1143","","","","","","1.035","","","","has coordinates","244445","2020-10-21","18:00:00",""
"7238887","10.0504","0.0007","8.675","0.0007","21.42","0.0012","90","","103.066","0.006","90","","1819.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-1,4-diphenyl-2-(4-toluidino)-2-butane-1,4-dione","(Z)-1,4-diphenyl-2-(4-toluidino)-2-butane-1,4-dione","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Paul, Nidhin; Sathishkumar, Ramalingam; Anuba, Chellathurai; Muthusubramanian, Shanmugam","Reactions of diphenacylaniline and diphenacyl sulfide under Gewald conditions: generation of enamines and thioamides","RSC Advances","2013","3","20","7445","","10.1039/c3ra21556c","","","0.71073","MoKα","","0.0695","0.0477","","","0.1407","0.1626","","","","","","1.018","","","","has coordinates","244446","2020-10-21","18:00:00",""
"7238888","10.428","0.005","16.883","0.005","17.61","0.005","90","","119.485","0.017","90","","2698.8","1.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6'-benzoyl-7'-(4-chlorophenyl)-3'-phenyl-3',6',7',7a'- tetrahydro-1 'H-spiro(indoline-3,5'-pyrrolo(1,2-c)thiazol)-2-one","6'-benzoyl-7'-(4-chlorophenyl)-3'-phenyl-3',6',7',7a'-tetrahydro-1 'H-spiro[indoline-3,5'-pyrrolo[1,2-c]thiazol]-2-one","","- C32 H25 Cl N2 O2 S -","- C32 H25 Cl N2 O2 S -","- C128 H100 Cl4 N8 O8 S4 -","4","1","","Kumar, Atul; Gupta, Garima; Srivastava, Suman; Bishnoi, Ajay Kumar; Saxena, Ruchi; Kant, Ruchir; Khanna, Ranjana S.; Maulik, Prakas R.; Dwivedi, Anila","Novel diastereoselective synthesis of spiropyrrolidine-oxindole derivatives as anti-breast cancer agents","RSC Advances","2013","3","14","4731","","10.1039/c3ra21595d","","","0.71073","MoKα","","0.1604","0.0704","","","0.1208","0.1679","","","","","","1.031","","","","has coordinates","244447","2020-10-21","18:00:00",""
"7238889","8.3588","0.0002","10.3505","0.0003","10.9632","0.0003","63.8699","0.0015","84.6098","0.0015","83.0969","0.0016","844.5","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 Br2 N4 O2 -","- C38 H30 Br2 N4 O2 -","- C38 H30 Br2 N4 O2 -","1","0.5","","Nandajan, Paramjyothi C.; Neelakandan, Prakash P.; Ramaiah, Danaboyina","Interplay of monomer, intra- and intermolecular excimer fluorescence in cyclophanes and selective recognition of methanol vapours","RSC Advances","2013","3","16","5624","","10.1039/c3ra21678k","","","1.54178","CuKα","","0.0844","0.0786","","","0.2179","0.2278","","","","","","1.098","","","","has coordinates","244448","2020-10-21","18:00:00",""
"7238890","10.3953","0.0004","17.2537","0.0006","16.1405","0.0006","90","","100.491","0.002","90","","2846.53","0.18","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H58 Br2 N8 O3 -","- C60 H52 Br3.999 N8 O3 -","- C120 H104 Br7.998 N16 O6 -","2","1","","Nandajan, Paramjyothi C.; Neelakandan, Prakash P.; Ramaiah, Danaboyina","Interplay of monomer, intra- and intermolecular excimer fluorescence in cyclophanes and selective recognition of methanol vapours","RSC Advances","2013","3","16","5624","","10.1039/c3ra21678k","","","0.71073","MoKα","","0.0956","0.0637","","","0.1719","0.1974","","","","","","1.056","","","","has coordinates","244448","2020-10-21","18:00:00",""
"7238891","7.4751","0.0011","22.522","0.002","7.5169","0.0009","90","0.011","109.736","0.009","90","0.012","1191.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H3 Cl N4 S4 -","- C8 H3 Cl N4 S4 -","- C32 H12 Cl4 N16 S16 -","4","1","","Pop, Flavia; Ding, Jie; Daku, Latévi Max Lawson; Hauser, Andreas; Avarvari, Narcis","Tetrathiafulvalene-s-tetrazine: versatile platform for donor‒acceptor systems and multifunctional ligands","RSC Advances","2013","3","10","3218","","10.1039/c3ra21702g","","","0.71073","MoKα","","0.1116","0.0516","","","0.0852","0.1026","","","","","","1.037","","","","has coordinates","244449","2020-10-21","18:00:00",""
"7238892","8.7852","0.0017","9.2555","0.0014","16.386","0.004","74.976","0.017","88.387","0.014","72.238","0.014","1223.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Cl2 N7 S4 Zn -","- C20 H15 Cl2 N7 S4 Zn -","- C40 H30 Cl4 N14 S8 Zn2 -","2","1","","Pop, Flavia; Ding, Jie; Daku, Latévi Max Lawson; Hauser, Andreas; Avarvari, Narcis","Tetrathiafulvalene-s-tetrazine: versatile platform for donor‒acceptor systems and multifunctional ligands","RSC Advances","2013","3","10","3218","","10.1039/c3ra21702g","","","0.71073","MoKα","","0.0952","0.043","","","0.0817","0.0923","","","","","","1.013","","","","has coordinates","244449","2020-10-21","18:00:00",""
"7238893","16.0317","0.0017","22.181","0.002","10.2433","0.0013","90","","90","","90","","3642.5","0.7","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C37 H35 Cl2 N9 O5 -","- C37 H35 Cl2 N9 O5 -","- C148 H140 Cl8 N36 O20 -","4","0.5","","Das, Subrata; Thakur, Ashim Jyoti; Medhi, Tapas; Das, Babulal","An efficient stereo-controlled synthesis of bis-pyrimido-[4,5-d]-pyrimidine derivatives via aza-Diels‒Alder methodology and their preliminary bioactivity","RSC Advances","2013","3","10","3407","","10.1039/c3ra22089c","","","0.71073","MoKα","","0.11","0.0844","","","0.2139","0.2467","","","","","","1.062","","","","has coordinates","244450","2020-10-21","18:00:00",""
"7238894","5.9798","0.0009","14.147","0.002","25.909","0.004","90","","90","","90","","2191.8","0.6","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","((5R,7S)-7-isopropoxy-3-(4-nitrophenyl)-4-oxo-2-phenyl- 2,4,5,7-tetrahydropyrano(3,4-c)pyrazol-5-yl) methyl acetate","((5R,7S)-7-isopropoxy-3-(4-nitrophenyl)-4-oxo-2- phenyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-5-yl) methyl acetate","","- C24 H23 N3 O7 -","- C24 H23 N3 O7 -","- C96 H92 N12 O28 -","4","1","","Saquib, Mohammad; Husain, Irfan; Kant, Ruchir; Meena, Sanjeev; Gauniyal, H. M.; Sinha, Sudhir; Maulik, P. R.; Shaw, Arun K.","Regioselective synthesis of densely functionalized, enantiopure, sugar‒pyrazole hybrids as potential scaffolds for drug discovery","RSC Advances","2013","3","14","4526","","10.1039/c3ra22287j","","","0.71073","MoKα","","0.0624","0.0464","","","0.0927","0.101","","","","","","1.004","","","","has coordinates","244451","2020-10-21","18:00:00",""
"7238895","13.4391","0.0015","13.64","0.0017","14.3996","0.0018","107.046","0.001","103.576","0.001","114.569","0.002","2093.2","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H45 N7 O3 -","- C49 H45 N7 O3 -","- C98 H90 N14 O6 -","2","1","","Tu, Man-Su; Li, Ying; Wang, Xiang; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","Regioselective [5 + 1] rearrangement‒annulation: a new and efficient domino route to highly functionalized [1,6]naphthyridines","RSC Advances","2013","3","12","3877","","10.1039/c3ra22328k","","","0.71073","MoKα","","0.1898","0.0856","","","0.1955","0.2303","","","","","","1.034","","","","has coordinates,has disorder","244452","2020-10-21","18:00:00",""
"7238896","7.2369","0.0007","12.2218","0.0012","13.4418","0.0013","116.25","0.01","100.287","0.008","95.328","0.008","1029.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 F N5 O6 -","- C22 H14 F N5 O6 -","- C44 H28 F2 N10 O12 -","2","1","","Kamal, Ahmed; Swapna, Ponnampalli","An improved iron-mediated synthesis of N-2-aryl substituted 1,2,3-triazoles","RSC Advances","2013","3","20","7419","","10.1039/c3ra22485f","","","0.71073","MoKα","","0.0937","0.0441","","","0.0698","0.081","","","","","","0.924","","","","has coordinates","244453","2020-10-21","18:00:00",""
"7238897","19.4681","0.0006","23.9169","0.0007","21.0592","0.0006","90","","94.136","0.001","90","","9780","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C94 H98 Mn6 N16 O22 -","- C94 H98 Mn6 N16 O22 -","- C376 H392 Mn24 N64 O88 -","4","0.5","","Seth, Piya; Ghosh, Ashutosh","A mixed-valence Mn6 cluster exhibiting self-assembled vesicular structure and catecholase-like activity in solution state","RSC Advances","2013","3","11","3717","","10.1039/c3ra22710c","","","0.71073","MoKα","","0.0859","0.0535","","","0.1606","0.1826","","","","","","1.024","","","","has coordinates","244454","2020-10-21","18:00:00",""
"7238898","8.4466","0.0017","9.1058","0.0018","9.865","0.002","111.85","0.03","91.9","0.03","115.1","0.03","621","0.3","108","2","108","2","","","","","","","","6","P -1","-P 1","2","bis pyridinium tetrachlorodioxouranate pyridine solvate","","","- C20 H22 Cl4 N4 O2 U -","- C20 H22 Cl4 N4 O2 U -","- C20 H22 Cl4 N4 O2 U -","1","0.5","","Hashem, Emtithal; Swinburne, Adam N.; Schulzke, Carola; Evans, Rachel C.; Platts, James A.; Kerridge, Andrew; Natrajan, Louise S.; Baker, Robert J.","Emission spectroscopy of uranium(iv) compounds: a combined synthetic, spectroscopic and computational study","RSC Advances","2013","3","13","4350","","10.1039/c3ra22712j","","","0.71073","MoKα","","0.0418","0.0415","","","0.106","0.1062","","","","","","1.05","","","","has coordinates","244455","2020-10-21","18:00:00",""
"7238899","9.885","0.004","11.87","0.004","16.503","0.006","70.885","0.014","89.6","0.02","78.787","0.015","1791.3","1.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Cl4 Co N2 O -","- C38 H36 Cl4 Co N2 -","- C76 H72 Cl8 Co2 N4 -","2","1","","Li, Lei; Fu, Yan-Qing; Guo, Fang; Gao, Ji; Tong, Jian; Zhou, Zhong-Fu","Polymorphism and photoluminescence in a naphthalene-based ligand, and its supramolecular structures through second-sphere coordination with the [CoCl4]2− anion","RSC Advances","2013","3","29","11594","","10.1039/c3ra22748k","","","0.71073","MoKα","","0.0405","0.0288","","","0.0699","0.073","","","","","","0.931","","","","has coordinates","244457","2020-10-21","18:00:00",""
"7238900","11.477","0.003","11.962","0.002","15.832","0.004","72.51","0.016","89.22","0.018","64.483","0.01","1853.8","0.8","273","2","273","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 Cl4 Co N2 O -","- C40 H42 Cl4 Co N2 O -","- C80 H84 Cl8 Co2 N4 O2 -","2","1","","Li, Lei; Fu, Yan-Qing; Guo, Fang; Gao, Ji; Tong, Jian; Zhou, Zhong-Fu","Polymorphism and photoluminescence in a naphthalene-based ligand, and its supramolecular structures through second-sphere coordination with the [CoCl4]2− anion","RSC Advances","2013","3","29","11594","","10.1039/c3ra22748k","","","0.71073","MoKα","","0.0545","0.0434","","","0.1272","0.1344","","","","","","1.079","","","","has coordinates","244457","2020-10-21","18:00:00",""
"7238901","18.561","0.005","7.9107","0.0019","19.052","0.005","90","","90.835","0.004","90","","2797.1","1.2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H34 N2 -","- C38 H34 N2 -","- C152 H136 N8 -","4","1","","Li, Lei; Fu, Yan-Qing; Guo, Fang; Gao, Ji; Tong, Jian; Zhou, Zhong-Fu","Polymorphism and photoluminescence in a naphthalene-based ligand, and its supramolecular structures through second-sphere coordination with the [CoCl4]2− anion","RSC Advances","2013","3","29","11594","","10.1039/c3ra22748k","","","0.71073","MoKα","","0.1004","0.0784","","","0.1387","0.1473","","","","","","1.235","","","","has coordinates","244457","2020-10-21","18:00:00",""
"7238902","8.512","0.005","8.74","0.005","9.863","0.004","72.12","0.03","77.79","0.03","79.76","0.03","677.5","0.6","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H34 N2 -","- C38 H34 N2 -","- C38 H34 N2 -","1","0.5","","Li, Lei; Fu, Yan-Qing; Guo, Fang; Gao, Ji; Tong, Jian; Zhou, Zhong-Fu","Polymorphism and photoluminescence in a naphthalene-based ligand, and its supramolecular structures through second-sphere coordination with the [CoCl4]2− anion","RSC Advances","2013","3","29","11594","","10.1039/c3ra22748k","","","0.71073","MoKα","","0.0582","0.037","","","0.0725","0.0772","","","","","","1.143","","","","has coordinates","244457","2020-10-21","18:00:00",""
"7238903","14.727","0.001","18.251","0.002","22.211","0.002","90","","90","","90","","5969.9","0.9","250","2","250","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C92 H68 N -","- C91.9738 H68 N -","- C367.895 H272 N4 -","4","1","","Shestakov, Alexander F.; Konarev, Dmitri V.; Simonov, Sergey V.; Khasanov, Salavat S.; Lapshin, Alexander N.; Goldshleger, Nataliya F.","Structure and spectral properties of fullerene ‒ tetraoctylammonium bromide composition in neutral and ionic states: experimental data and theoretical analysis","RSC Advances","2013","3","22","8341","","10.1039/c3ra22787a","","","0.71073","MoKα","","0.198","0.1222","","","0.311","0.3396","","","","","","1.84","","","","has coordinates,has disorder","244458","2020-10-21","18:00:00",""
"7238904","12.524","0.002","12.391","0.002","11.553","0.002","90","","107.019","0.003","90","","1714.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 O4 P -","- C20 H21 O4 P -","- C80 H84 O16 P4 -","4","1","","Cao, Deng-Ke; Lu, Yue-Hao; Zheng, Tao; Zhang, Yu-Hao; Li, Yi-Zhi; Zheng, Li-Min","Reaction of an anthracene-based cyclic phosphonate ester with trimethylsilyl bromide unexpectedly generating two phosphonates: syntheses, crystal structures and fluorescent properties","RSC Advances","2013","3","12","4001","","10.1039/c3ra22863k","","","0.71073","MoKα","","0.0571","0.0516","","","0.143","0.1457","","","","","","1.081","","","","has coordinates","244459","2020-10-21","18:00:00",""
"7238905","21.51","0.003","5.6451","0.0008","14.508","0.002","90","","100.285","0.003","90","","1733.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br O3 P -","- C20 H20 Br O3 P -","- C80 H80 Br4 O12 P4 -","4","1","","Cao, Deng-Ke; Lu, Yue-Hao; Zheng, Tao; Zhang, Yu-Hao; Li, Yi-Zhi; Zheng, Li-Min","Reaction of an anthracene-based cyclic phosphonate ester with trimethylsilyl bromide unexpectedly generating two phosphonates: syntheses, crystal structures and fluorescent properties","RSC Advances","2013","3","12","4001","","10.1039/c3ra22863k","","","0.71073","MoKα","","0.0566","0.0431","","","0.1236","0.1266","","","","","","1.033","","","","has coordinates","244459","2020-10-21","18:00:00",""
"7238906","6.3845","0.0017","13.615","0.004","22.618","0.007","90","","90","","90","","1966.1","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br2 O3 P -","- C20 H21 Br2 O3 P -","- C80 H84 Br8 O12 P4 -","4","1","","Cao, Deng-Ke; Lu, Yue-Hao; Zheng, Tao; Zhang, Yu-Hao; Li, Yi-Zhi; Zheng, Li-Min","Reaction of an anthracene-based cyclic phosphonate ester with trimethylsilyl bromide unexpectedly generating two phosphonates: syntheses, crystal structures and fluorescent properties","RSC Advances","2013","3","12","4001","","10.1039/c3ra22863k","","","0.71073","MoKα","","0.0685","0.0513","","","0.102","0.1055","","","","","","1.057","","","","has coordinates","244459","2020-10-21","18:00:00",""
"7238907","15.5601","0.0006","28.2409","0.001","8.9927","0.0003","90","","90","","90","","3951.7","0.2","298","2","298","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C20 H33 Br8 Cl2 Co2 N8 O12.5 -","- C20 H33 Br8 Cl2 Co2 N8 O12.5 -","- C80 H132 Br32 Cl8 Co8 N32 O50 -","4","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0795","0.0652","","","0.1518","0.1585","","","","","","1.093","","","","has coordinates,has disorder","244460","2020-10-21","18:00:00",""
"7238908","8.476","0.002","9.327","0.003","13.954","0.005","85.457","0.002","80.366","0.003","81.064","0.002","1072.8","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H20 Br4 Cl Co N4 O6 -","- C12 H20 Br4 Cl Co N4 O6 -","- C24 H40 Br8 Cl2 Co2 N8 O12 -","2","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0401","0.033","","","0.0869","0.0901","","","","","","1.05","","","","has coordinates","244460","2020-10-21","18:00:00",""
"7238909","16.136","0.006","8.72","0.003","19.343","0.006","90","","105.925","0.002","90","","2617.2","1.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H32 Br4 Co N5 O6 -","- C17 H32 Br4 Co N5 O6 -","- C68 H128 Br16 Co4 N20 O24 -","4","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0658","0.0351","","","0.0571","0.0638","","","","","","0.964","","","","has coordinates","244460","2020-10-21","18:00:00",""
"7238910","6.546","0.002","31.167","0.011","11.809","0.003","90","","104.774","0.002","90","","2329.6","1.2","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Br4 Cl Co N4 O6 -","- C18 H16 Br4 Cl Co N4 O6 -","- C72 H64 Br16 Cl4 Co4 N16 O24 -","4","0.5","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0653","0.0548","","","0.1402","0.1605","","","","","","1.119","","","","has coordinates,has disorder","244460","2020-10-21","18:00:00",""
"7238911","30.152","0.008","12.333","0.003","30.405","0.005","90","","97.404","0.005","90","","11212","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H40 Br8 Co2 N10 O12 -","- C50 H40 Br8 Co2 N10 O12 -","- C400 H320 Br64 Co16 N80 O96 -","8","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0815","0.052","","","0.1256","0.1405","","","","","","0.985","","","","has coordinates","244460","2020-10-21","18:00:00",""
"7238912","14.845","0.003","15.798","0.003","16.567","0.003","115.922","0.001","103.402","0.001","102.119","0.001","3176.8","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H36 Br8 Cl2 Co2 N8 O13 -","- C61 H36 Br8 Cl2 Co2 N8 O13 -","- C122 H72 Br16 Cl4 Co4 N16 O26 -","2","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0756","0.0499","","","0.13","0.1476","","","","","","1.02","","","","has coordinates","244460","2020-10-21","18:00:00",""
"7238913","12.733","0.003","20.347","0.005","15.916","0.004","90","","100.654","0.004","90","","4052.4","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Br8 Co N5 O9 -","- C34 H26 Br8 Co N5 O9 -","- C136 H104 Br32 Co4 N20 O36 -","4","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0716","0.0421","","","0.0943","0.1045","","","","","","1.021","","","","has coordinates","244460","2020-10-21","18:00:00",""
"7238914","10.637","0.003","10.995","0.003","16.387","0.004","96.351","0.002","93.693","0.002","104.486","0.002","1835.7","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Br8 Co N5 O5 -","- C26 H23 Br8 Co N5 O5 -","- C52 H46 Br16 Co2 N10 O10 -","2","1","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0825","0.0562","","","0.1585","0.1721","","","","","","1.009","","","","has coordinates,has disorder","244460","2020-10-21","18:00:00",""
"7238915","18.519","0.003","14.082","0.003","26.628","0.004","90","","91.79","0.003","90","","6941","2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C39 H70 Br12 Co3 N15 O20 -","- C39 H54 Br12 Co3 N15 O20 -","- C156 H216 Br48 Co12 N60 O80 -","4","2","","Panja, Anangamohan","A series of tetrabromocatecholate chelated cobalt(iii) complexes with various N-donor ancillary ligands: syntheses, crystal structures, co-crystallization, thermally induced valence tautomerism and electrochemical studies","RSC Advances","2013","3","15","4954","","10.1039/c3ra22897e","","","0.71073","MoKα","","0.0932","0.0633","","","0.1375","0.1536","","","","","","1.016","","","","has coordinates","244460","2020-10-21","18:00:00",""
"7238916","16.64","0.008","7.053","0.004","14.173","0.007","90","","101.753","0.008","90","","1628.5","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N5 O2 -","- C18 H17 N5 O2 -","- C72 H68 N20 O8 -","4","1","","Xiang, Haoyue; Chen, Yanhong; He, Qian; Xie, Yuyuan; Yang, Chunhao","Pot, atom and step economic synthesis: a diversity-oriented approach to construct 2-substituted pyrrolo[2,1-f][1,2,4]triazin-4(3H)-ones","RSC Advances","2013","3","17","5807","","10.1039/c3ra22909b","","","0.71073","MoKα","","0.0851","0.0798","","","0.2193","0.2254","","","","","","1.091","","","","has coordinates","244461","2020-10-21","18:00:00",""
"7238917","7.0998","0.0005","10.4533","0.0007","14.2795","0.001","103.513","0.005","104.362","0.004","101.119","0.004","962.19","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","x2","","","- C21 H14 Br N5 O2 -","- C21 H14 Br N5 O2 -","- C42 H28 Br2 N10 O4 -","2","1","","Xiang, Haoyue; Chen, Yanhong; He, Qian; Xie, Yuyuan; Yang, Chunhao","Pot, atom and step economic synthesis: a diversity-oriented approach to construct 2-substituted pyrrolo[2,1-f][1,2,4]triazin-4(3H)-ones","RSC Advances","2013","3","17","5807","","10.1039/c3ra22909b","","","0.71073","MoKα","","0.0472","0.0359","","","0.0774","0.0835","","","","","","0.958","","","","has coordinates","244461","2020-10-21","18:00:00",""
"7238918","7.1731","0.0002","9.058","0.0003","15.2735","0.0005","96.965","0.001","93.337","0.001","112.608","0.001","903.39","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","X3","","","- C20 H17 N5 O4 -","- C20 H17 N5 O4 -","- C40 H34 N10 O8 -","2","1","","Xiang, Haoyue; Chen, Yanhong; He, Qian; Xie, Yuyuan; Yang, Chunhao","Pot, atom and step economic synthesis: a diversity-oriented approach to construct 2-substituted pyrrolo[2,1-f][1,2,4]triazin-4(3H)-ones","RSC Advances","2013","3","17","5807","","10.1039/c3ra22909b","","","0.71073","MoKα","","0.0363","0.0343","","","0.0893","0.0931","","","","","","1.055","","","","has coordinates","244461","2020-10-21","18:00:00",""
"7238919","18.414","0.003","9.8998","0.0012","22.545","0.004","90","","104.963","0.007","90","","3970.5","1.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H40 N2 -","- C44 H40 N2 -","- C176 H160 N8 -","4","1","","Pal, Suman; Hatai, Joydev; Srikanth, K.; Bandyopadhyay, Subhajit","Light gated reversible modulation of Cu2+ binding","RSC Advances","2013","3","11","3739","","10.1039/c3ra23089a","","","0.71073","MoKα","","0.1469","0.0632","","","0.1578","0.1965","","","","","","0.805","","","","has coordinates,has disorder","244462","2020-10-21","18:00:00",""
"7238920","12.0296","0.0013","10.7993","0.001","15.4635","0.0016","90","","129.493","0.006","90","","1550.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N5 O5 S -","- C14 H11 N5 O5 S -","- C56 H44 N20 O20 S4 -","4","1","","Basu, Arghya; Dey, Sandeep Kumar; Das, Gopal","Amidothiourea based colorimetric receptors for basic anions: evidence of anion induced deprotonation of amide ‒NH proton and hydroxide induced anion⋯π interaction with the deprotonated receptors","RSC Advances","2013","3","18","6596","","10.1039/c3ra23123b","","","0.71073","MoKα","","0.1293","0.0508","","","0.1083","0.1485","","","","","","0.998","","","","has coordinates","244463","2020-10-21","18:00:00",""
"7238921","7.9913","0.0002","12.2522","0.0004","17.6848","0.0005","78.78","0.002","89.551","0.002","76.168","0.002","1647.83","0.08","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 N6 O5 S -","- C30 H46 N6 O5 S -","- C60 H92 N12 O10 S2 -","2","1","","Basu, Arghya; Dey, Sandeep Kumar; Das, Gopal","Amidothiourea based colorimetric receptors for basic anions: evidence of anion induced deprotonation of amide ‒NH proton and hydroxide induced anion⋯π interaction with the deprotonated receptors","RSC Advances","2013","3","18","6596","","10.1039/c3ra23123b","","","0.71073","MoKα","","0.0629","0.0428","","","0.1137","0.1313","","","","","","1.049","","","","has coordinates","244463","2020-10-21","18:00:00",""
"7238922","11.9041","0.0007","12.0508","0.0007","13.7606","0.0008","71.458","0.004","71.925","0.004","69.239","0.004","1706.02","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 N6 O6 S -","- C30 H48 N6 O6 S -","- C60 H96 N12 O12 S2 -","2","1","","Basu, Arghya; Dey, Sandeep Kumar; Das, Gopal","Amidothiourea based colorimetric receptors for basic anions: evidence of anion induced deprotonation of amide ‒NH proton and hydroxide induced anion⋯π interaction with the deprotonated receptors","RSC Advances","2013","3","18","6596","","10.1039/c3ra23123b","","","0.71073","MoKα","","0.1372","0.0657","","","0.1714","0.2034","","","","","","1.018","","","","has coordinates","244463","2020-10-21","18:00:00",""
"7238923","15.6959","0.0006","16.0526","0.0007","17.2487","0.0008","111.24","0.002","111.383","0.002","93.571","0.002","3676.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H98 N12 O11 S2 -","- C68 H98 N12 O11 S2 -","- C136 H196 N24 O22 S4 -","2","1","","Basu, Arghya; Dey, Sandeep Kumar; Das, Gopal","Amidothiourea based colorimetric receptors for basic anions: evidence of anion induced deprotonation of amide ‒NH proton and hydroxide induced anion⋯π interaction with the deprotonated receptors","RSC Advances","2013","3","18","6596","","10.1039/c3ra23123b","","","0.71073","MoKα","","0.1103","0.0684","","","0.1891","0.2174","","","","","","1.134","","","","has coordinates","244463","2020-10-21","18:00:00",""
"7238924","9.6658","0.0012","10.3292","0.0014","18.5201","0.0018","85.614","0.012","86.144","0.014","81.723","0.01","1821.5","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H9 Cl O2 -","- C15 H9 Cl O2 -","- C90 H54 Cl6 O12 -","6","3","","Li, Jinming; Chen, Huiyu; Zhang-Negrerie, Daisy; Du, Yunfei; Zhao, Kang","Synthesis of coumarins via PIDA/I2-mediated oxidative cyclization of substituted phenylacrylic acids","RSC Advances","2013","3","13","4311","","10.1039/c3ra23188g","","","0.71073","MoKα","","0.1134","0.0435","","","0.0851","0.1095","","","","","","0.848","","","","has coordinates","244464","2020-10-21","18:00:00",""
"7238925","11.849","0.006","7.997","0.004","20.87","0.01","90","","100.374","0.006","90","","1945.2","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O5 S -","- C20 H25 N O5 S -","- C80 H100 N4 O20 S4 -","4","1","","Wang, Linfei; Wang, Shuo-En; Wang, Weibin; Fan, Renhua","Accessing bridged bicyclic compounds or meta carbon-functionalized anilines from the dearomatization of anilines","RSC Advances","2013","3","17","5775","","10.1039/c3ra23224g","","","0.71073","MoKα","","0.0587","0.0501","","","0.1422","0.1505","","","","","","1.058","","","","has coordinates","244465","2020-10-21","18:00:00",""
"7238926","8.2705","0.0016","9.4515","0.0014","9.4618","0.0019","82.682","0.014","64.188","0.019","85.91","0.014","660.3","0.2","103.6","","103.6","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H18 N4 -","- C15 H18 N4 -","- C30 H36 N8 -","2","1","","Shi, Liangliang; Wang, Ruji; Yang, Haijun; Jiang, Yuyang; Fu, Hua","Efficient copper-catalyzed domino synthesis of tetrazoloisoquinolines","RSC Advances","2013","3","18","6278","","10.1039/c3ra23230a","","","0.7107","MoKα","","0.0674","0.0532","","","0.1358","0.1483","","","","","","1.055","","","","has coordinates","244466","2020-10-21","18:00:00",""
"7238927","23.955","0.004","7.5099","0.0012","8.5462","0.0014","90","","95.195","0.003","90","","1531.1","0.4","295","","295","","","","","","","","see text","3","P 1 c 1","P -2yc","7","","","","- C21 H16 O -","- C21 H16 O -","- C84 H64 O4 -","4","2","","Shanmugaraju, Sankarasekaran; Jadhav, Harshal; Karthik, Rajendran; Mukherjee, Partha Sarathi","Electron rich supramolecular polymers as fluorescent sensors for nitroaromatics","RSC Advances","2013","3","15","4940","","10.1039/c3ra23269g","","x-ray","0.71073","MoKα","","0.1202","0.0695","","","0.0793","0.0893","","","","","","1.069","","","","has coordinates","244467","2020-10-21","18:00:00",""
"7238928","16.8215","0.0008","24.9185","0.0014","7.4008","0.0004","90","","90","","90","","3102.2","0.3","296","","296","","","","","","","","see text","3","P b c n","-P 2n 2ab","60","","","","- C36 H34 O4 -","- C36 H34 O4 -","- C144 H136 O16 -","4","0.5","","Shanmugaraju, Sankarasekaran; Jadhav, Harshal; Karthik, Rajendran; Mukherjee, Partha Sarathi","Electron rich supramolecular polymers as fluorescent sensors for nitroaromatics","RSC Advances","2013","3","15","4940","","10.1039/c3ra23269g","","x-ray","0.71073","MoKα","","0.1726","0.084","","","0.2172","0.2771","","","","","","0.936","","","","has coordinates","244467","2020-10-21","18:00:00",""
"7238929","18.729","0.003","14.865","0.003","7.6628","0.0013","90","","90","","90","","2133.4","0.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C11 H22 Cl7 Mo N2 O3 -","- C11 H22 Cl7 Mo N2 O3 -","- C44 H88 Cl28 Mo4 N8 O12 -","4","0.5","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Lactam/MoCl5 interaction in CH2Cl2: synthesis and X-ray characterization of protonated δ-valerolactam salts","RSC Advances","2013","3","25","10007","","10.1039/c3ra23305g","","","0.71073","MoKα","","0.0255","0.0225","","","0.0534","0.055","","","","","","1.065","","","","has coordinates","244468","2020-10-21","18:00:00",""
"7238930","9.2987","0.0008","11.7668","0.001","22.2829","0.0018","90","","101.262","0.001","90","","2391.2","0.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C15 H29 Cl5 Mo N3 O4 -","- C15.001 H29 Cl5 Mo N3 O4 -","- C60.004 H116 Cl20 Mo4 N12 O16 -","4","1","","Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","Lactam/MoCl5 interaction in CH2Cl2: synthesis and X-ray characterization of protonated δ-valerolactam salts","RSC Advances","2013","3","25","10007","","10.1039/c3ra23305g","","","0.71073","MoKα","","0.0285","0.0234","","","0.0531","0.0555","","","","","","1.02","","","","has coordinates,has disorder","244468","2020-10-21","18:00:00",""
"7238931","5.2551","0.0004","12.1219","0.0007","14.2706","0.0012","109.989","0.006","95.075","0.007","94.816","0.005","844.59","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O8 -","- C18 H20 O8 -","- C36 H40 O16 -","2","1","","Markoulides, Marios S.; Ioannou, Georgios I.; Manos, Manolis J.; Chronakis, Nikos","One-pot thermally chemocontrolled double Diels‒Alder strategies. A route to [4 + 2] functionalisation/[4 + 2] derivatization of C60","RSC Advances","2013","3","14","4750","","10.1039/c3ra23327h","","","0.71073","MoKα","","0.0545","0.0436","","","0.1197","0.1272","","","","","","1.053","","","","has coordinates","244469","2020-10-21","18:00:00",""
"7238932","13.3575","0.0006","15.2746","0.0008","7.8745","0.0004","90","","98.222","0.004","90","","1590.12","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C68 H76 N4 O24 -","4","1","","Markoulides, Marios S.; Ioannou, Georgios I.; Manos, Manolis J.; Chronakis, Nikos","One-pot thermally chemocontrolled double Diels‒Alder strategies. A route to [4 + 2] functionalisation/[4 + 2] derivatization of C60","RSC Advances","2013","3","14","4750","","10.1039/c3ra23327h","","","1.54184","CuKα","","0.0605","0.0452","","","0.1177","0.128","","","","","","0.946","","","","has coordinates","244469","2020-10-21","18:00:00",""
"7238933","17.7475","0.0006","11.7784","0.0006","35.4048","0.0012","90","","90","","90","","7400.9","0.5","195","2","195","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H52 N6 O2 Ru -","- C38 H48 N6 O2 Ru -","- C304 H384 N48 O16 Ru8 -","8","1","","Shinozaki, Kazuteru; Tenmyo, Kazuhiro; Suzuki, Takayoshi","Isotope effect of crystal water on emission lifetime of Ru(dbb)2(CN)2·2H2O (dbb = 4,4′-di-tert-butyl-2,2′-bipyridine) crystal","RSC Advances","2013","3","20","7579","","10.1039/c3ra23362f","","","0.71075","MoKα","","0.0772","0.0461","","","0.1046","0.1277","","","","","","1.077","","","","has coordinates","244470","2020-10-21","18:00:00",""
"7238934","17.7803","0.0006","11.8826","0.0007","35.7471","0.0013","90","","90","","90","","7552.5","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H52 N6 O2 Ru -","- C38 H48 N6 O2 Ru -","- C304 H384 N48 O16 Ru8 -","8","1","","Shinozaki, Kazuteru; Tenmyo, Kazuhiro; Suzuki, Takayoshi","Isotope effect of crystal water on emission lifetime of Ru(dbb)2(CN)2·2H2O (dbb = 4,4′-di-tert-butyl-2,2′-bipyridine) crystal","RSC Advances","2013","3","20","7579","","10.1039/c3ra23362f","","","0.71075","MoKα","","0.0894","0.0498","","","0.1191","0.1408","","","","","","1.097","","","","has coordinates","244470","2020-10-21","18:00:00",""
"7238935","11.446","0.002","14.77","0.003","14.492","0.002","90","","96.015","0.003","90","","2436.5","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H39 Br3 O13 -","- C48 H39 Br3 O13 -","- C96 H78 Br6 O26 -","2","1","","Liu, Jie-Qing; Peng, Xing-Rong; Zhang, Wei-Ming; Shi, Lei; Li, Xu-Yang; Chen, Jian-Chao; Qiu, Ming-Hua","Swietemahalactone, a rearranged phragmalin-type limonoid with anti-bacterial effect, from Swietenia mahagoni","RSC Advances","2013","3","15","4890","","10.1039/c3ra23401k","","","0.71073","MoKα","","0.1082","0.0723","","","0.202","0.2273","","","","","","1.01","","","","has coordinates","244471","2020-10-21","18:00:00",""
"7238936","9.592","0.002","10.08","0.003","11.857","0.003","89.893","0.01","76.026","0.007","80.083","0.008","1094.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 Cl N2 O3 -","- C28 H19 Cl N2 O3 -","- C56 H38 Cl2 N4 O6 -","2","1","","Wang, Qiang; Xu, Zhouqing; Fan, Xuesen","Selective synthesis of oxygen-containing heterocycles via tandem reactions of 1,2-allenic ketones with ethyl 4-chloroacetoacetate","RSC Advances","2013","3","13","4156","","10.1039/c3ra23432k","","","0.71073","MoKα","","0.0652","0.0587","","","0.123","0.1266","","","","","","1.162","","","","has coordinates","244472","2020-10-21","18:00:00",""
"7238937","9.4369","0.0019","17.895","0.004","8.6611","0.0017","90","","91.58","0.03","90","","1462.1","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Wang, Qiang; Xu, Zhouqing; Fan, Xuesen","Selective synthesis of oxygen-containing heterocycles via tandem reactions of 1,2-allenic ketones with ethyl 4-chloroacetoacetate","RSC Advances","2013","3","13","4156","","10.1039/c3ra23432k","","","0.71073","MoKα","","0.0627","0.0531","","","0.1262","0.1336","","","","","","1.116","","","","has coordinates","244472","2020-10-21","18:00:00",""
"7238938","10.085","0.002","11.302","0.002","13.269","0.003","80.76","0.03","78.81","0.03","82.3","0.03","1456.1","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-ethyl 2-(2-(2-(2,4-dinitrophenyl)hydrazono)-2-phenylethyl)-2,5-dimethyl-7-phenylbenzo[d][1,3]dioxole-4-carboxylate","","- C32 H27 N4 O8 -","- C32 H27 N4 O8 -","- C64 H54 N8 O16 -","2","1","","Wang, Qiang; Xu, Zhouqing; Fan, Xuesen","Selective synthesis of oxygen-containing heterocycles via tandem reactions of 1,2-allenic ketones with ethyl 4-chloroacetoacetate","RSC Advances","2013","3","13","4156","","10.1039/c3ra23432k","","","0.71073","MoKα","","0.0884","0.0691","","","0.1609","0.1756","","","","","","1.112","","","","has coordinates","244472","2020-10-21","18:00:00",""
"7238939","34.3374","0.0012","6.0181","0.0002","18.6307","0.0006","90","","104.012","0.002","90","","3735.4","0.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 N2 O -","- C21 H24 N2 O -","- C168 H192 N16 O8 -","8","1","","Bag, Subhendu Sekhar; Ghorai, Samir; Jana, Subhashis; Mukherjee, Chandan","Solvatochromic fluorescent cyanophenoxazine: design, synthesis, photophysical properties and fluorescence light-up sensing of ct-DNA","RSC Advances","2013","3","16","5374","","10.1039/c3ra23463k","","","0.71073","MoKα","","0.1038","0.0856","","","0.2631","0.2862","","","","","","1.053","","","","has coordinates","244473","2020-10-21","18:00:00",""
"7238940","9.184","0.001","18.429","0.002","13.3004","0.0015","90","","94.728","0.002","90","","2243.5","0.4","291","1","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diethyl[(2S*,5S*,6S*)-3-benzyl-2-methyl-4-oxo-3,4,5,6- tetrahydro-2H-2,6-methanobenzo[g][1,3]oxazocin-5-yl]phosphonate","","- C23 H28 N O5 P -","- C23 H28 N O5 P -","- C92 H112 N4 O20 P4 -","4","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","0.71073","MoKα","","0.0567","0.0504","","","0.1457","0.1496","","","","","","1.03","","","","has coordinates,has disorder","244474","2020-10-21","18:00:00",""
"7238941","10.2612","0.0001","11.1638","0.0001","11.3877","0.0001","88.85","0.001","70.398","0.001","70.439","0.001","1151.71","0.02","293","1","293","2","","","","","","","","5","P -1","-P 1","2","","diethyl ((3aR*,9R*,9aR*,10R*)-12-benzyl-11-oxo-2,3,9,9a-tetrahydro-1H-3a,9- (epiminoethano)cyclopenta[b]chromen-10-yl)phosphonate","","- C25 H30 N O5 P -","- C25 H30 N O5 P -","- C50 H60 N2 O10 P2 -","2","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0399","0.0397","","","0.1094","0.1096","","","","","","1.05","","","","has coordinates","244474","2020-10-21","18:00:00",""
"7238942","10.3639","0.0019","11.35","0.002","11.563","0.002","87.909","0.005","70.26","0.005","69.399","0.005","1193.1","0.4","291","1","291","2","","","","","","","","5","P -1","-P 1","2","","diethyl ((4aR*,9R*,9aR*,11R*)-13-benzyl-12-oxo-1,2,3,4,9,9a-hexahydro-4a,9- (epiminoethano)xanthen-11-yl)phosphonate","","- C26 H32 N O5 P -","- C26 H32 N O5 P -","- C52 H64 N2 O10 P2 -","2","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0604","0.0596","","","0.1745","0.1755","","","","","","1.052","","","","has coordinates","244474","2020-10-21","18:00:00",""
"7238943","12.4626","0.0001","8.235","0.0001","12.6582","0.0001","90","","114.56","0.01","90","","1181.57","0.1","100","1","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diethyl[(3R*,4R*,4aR*))-1-benzyl-4-(2-hydroxyphenyl)-2-oxo-1,2,3,4,4a,5,6,7- octahydroquinolin-3-yl]phosphonate","","- C26 H32 N O5 P -","- C26 H32 N O5 P -","- C52 H64 N2 O10 P2 -","2","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0423","0.0423","","","0.1182","0.1182","","","","","","1.05","","","","has coordinates","244474","2020-10-21","18:00:00",""
"7238944","9.2805","0.0001","12.9476","0.0002","16.1252","0.0002","99.392","0.001","91.714","0.001","90.912","0.001","1910.35","0.04","100","1","100","2","","","","","","","","4","P 1","P 1","1","","(3aS,9S,9aS)-10-methylene-12-[(R)-1-phenylethyl]-2,3,9,9a-tetrahydro-1H-3a,9- -(epiminoethano)cyclopenta[b]chromen-11-one","","- C96 H102 N4 O9 -","- C96 H102 N4 O9 -","- C96 H102 N4 O9 -","1","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0257","0.0256","","","0.0741","0.0755","","","","","","1.045","","","","has coordinates","244474","2020-10-21","18:00:00",""
"7238945","9.3543","0.0001","13.0737","0.0002","16.3819","0.0002","99.063","0.001","91.667","0.001","90.832","0.001","1977.21","0.04","291","1","291","2","","","","","","","","4","P 1","P 1","1","","(3aR,9R,9aR)-10-methylene-12-[(S)-1-phenylethyl]-2,3,9,9a-tetrahydro-1H-3a,9- -(epiminoethano)cyclopenta[b]chromen-11-one","","- C96 H102 N4 O9 -","- C96 H102 N4 O9 -","- C96 H102 N4 O9 -","1","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0364","0.0362","","","0.107","0.1072","","","","","","1.056","","","","has coordinates","244474","2020-10-21","18:00:00",""
"7238946","15.3327","0.0012","9.0849","0.0007","19.0305","0.0015","90","","101.416","0.003","90","","2598.4","0.4","291","1","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diethyl [(3R,4R)-4-(2-hydroxyphenyl)-2-oxo-1-((R)-1- phenylethyl)-1,2,3,4,5,6,7,8-octahydroquinolin-3-yl]phosphonate","","- C54 H68 N2 O10 P2 -","- C54 H68 N2 O10 P2 -","- C108 H136 N4 O20 P4 -","2","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0425","0.0419","","","0.1175","0.1184","","","","","","1.03","","","","has coordinates,has disorder","244474","2020-10-21","18:00:00",""
"7238947","15.3297","0.0002","9.0879","0.0001","19.0093","0.0003","90","","101.437","0.001","90","","2595.69","0.06","291","1","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","diethyl [(3S,4S)-4-(2-hydroxyphenyl)-2-oxo-1-((S)-1- phenylethyl)-1,2,3,4,5,6,7,8-octahydroquinolin-3-yl]phosphonate","","- C54 H68 N2 O10 P2 -","- C54 H68 N2 O10 P2 -","- C108 H136 N4 O20 P4 -","2","1","","Deredas, D.; Albrecht, Ł.; Maniukiewicz, W.; Wojciechowski, J.; Wolf, W. M.; Paluch, P.; Janecki, T.; Różalski, M.; Krajewska, U.; Janecka, A.; Krawczyk, H.","Three-component reaction of 3-(diethoxyphosphoryl)coumarin, enolizable ketones and primary amines: Simple, stereoselective synthesis of benzo[1,3]oxazocine skeletons","RSC Advances","2013","3","19","6821","","10.1039/c3ra40184g","","","1.54178","CuKα","","0.0348","0.0342","","","0.0957","0.0964","","","","","","1.031","","","","has coordinates,has disorder","244474","2020-10-21","18:00:00",""
"7238948","10.0647","0.0007","13.9863","0.0012","20.4134","0.0015","90","","90","","90","","2873.6","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 -","- C15 H22 N2 -","- C120 H176 N16 -","8","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.193","0.0813","","","0.1213","0.1605","","","","","","1.017","","","","has coordinates","244475","2020-10-21","18:00:00",""
"7238949","8.531","0.003","18.801","0.007","11.864","0.005","90","","108.015","0.006","90","","1809.6","1.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 N4 -","- C22 H24 N4 -","- C88 H96 N16 -","4","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.3165","0.0777","","","0.1658","0.2637","","","","","","0.856","","","","has coordinates","244475","2020-10-21","18:00:00",""
"7238950","12.9488","0.0007","14.6721","0.0012","25.565","0.002","90","","90","","90","","4857","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C224 H256 N32 O16 -","16","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.2501","0.0539","","","0.0597","0.0834","","","","","","0.709","","","","has coordinates","244475","2020-10-21","18:00:00",""
"7238951","16.4455","0.0008","7.7792","0.0003","18.8199","0.0009","90","","90","","90","","2407.68","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C112 H128 N16 O8 -","8","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.117","0.0587","","","0.106","0.1285","","","","","","1.002","","","","has coordinates","244475","2020-10-21","18:00:00",""
"7238952","10.024","0.001","5.3217","0.0005","16.2081","0.0016","90","","94.059","0.009","90","","862.45","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O -","- C10 H11 N O -","- C40 H44 N4 O4 -","4","1","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.1239","0.0682","","","0.1538","0.1894","","","","","","1.016","","","","has coordinates","244475","2020-10-21","18:00:00",""
"7238953","17.324","0.003","9.7036","0.0013","18.044","0.003","90","","91.045","0.019","90","","3032.8","0.8","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N3 -","- C18 H21 N3 -","- C144 H168 N24 -","8","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.3784","0.0848","","","0.1207","0.1851","","","","","","0.771","","","","has coordinates","244475","2020-10-21","18:00:00",""
"7238954","15.422","0.0012","9.7194","0.0006","17.4527","0.0016","90","","110.396","0.01","90","","2452","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C112 H128 N16 O8 -","8","2","","Mahanta, Sanjeev P.; Panda, Pradeepta K.","Condensation of cyclohexanediones with pyrrole under acidic conditions: unusual products and interesting structural features","RSC Adv.","2013","3","18","6614","","10.1039/C3RA40208H","","","0.71073","MoKα","","0.2132","0.0748","","","0.1758","0.2186","","","","","","0.851","","","","has coordinates","244475","2020-10-21","18:00:00",""
"7238955","5.0442","0.001","5.2642","0.0011","8.9187","0.0018","90","","90","","90","","236.82","0.08","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- Mo O6 Te Zn -","- Mo O6 Te Zn -","- Mo2 O12 Te2 Zn2 -","2","0.5","","Zhao, Sangen; Luo, Junhua; Zhou, Pan; Zhang, Shu-Quan; Sun, Zhihua; Hong, Maochun","ZnTeMoO6: a strong second-harmonic generation material originating from three types of asymmetric building units","RSC Advances","2013","3","33","14000","","10.1039/c3ra40247a","","","0.71073","MoKα","","0.0407","0.0336","","","0.0856","0.1368","","","","","","0.942","","","","has coordinates","244476","2020-10-21","18:00:00",""
"7238956","8.0693","0.0008","14.737","0.0013","18.6512","0.0018","90","","93.62","0.001","90","","2213.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O -","- C28 H24 N2 O -","- C112 H96 N8 O4 -","4","1","","Liu, Jia-Yan; Li, Qiu-Yun; Jiang, Bo; Tu, Shu-Jiang","Three-component domino reactions providing rapid and efficient routes to fully substituted pyrroles","RSC Advances","2013","3","15","5056","","10.1039/c3ra40252e","","","0.71073","MoKα","","0.0883","0.0491","","","0.1154","0.1461","","","","","","1.079","","","","has coordinates","244477","2020-10-21","18:00:00",""
"7238957","10.5132","0.0011","10.604","0.0012","22.086","0.002","78.682","0.001","84.544","0.002","72.606","0.001","2302.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O2 S -","- C27 H25 N O2 S -","- C108 H100 N4 O8 S4 -","4","2","","Liu, Jia-Yan; Li, Qiu-Yun; Jiang, Bo; Tu, Shu-Jiang","Three-component domino reactions providing rapid and efficient routes to fully substituted pyrroles","RSC Advances","2013","3","15","5056","","10.1039/c3ra40252e","","","0.71073","MoKα","","0.1553","0.0656","","","0.1345","0.1522","","","","","","1.041","","","","has coordinates","244477","2020-10-21","18:00:00",""
"7238958","11.9309","0.0011","14.0473","0.0013","15.0113","0.0015","100.801","0.002","90.905","0.001","97.856","0.001","2445.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Br2 Cl N2 O2 -","- C25 H21 Br2 Cl N2 O2 -","- C100 H84 Br8 Cl4 N8 O8 -","4","2","","Liu, Jia-Yan; Li, Qiu-Yun; Jiang, Bo; Tu, Shu-Jiang","Three-component domino reactions providing rapid and efficient routes to fully substituted pyrroles","RSC Advances","2013","3","15","5056","","10.1039/c3ra40252e","","","0.71073","MoKα","","0.2959","0.1442","","","0.3698","0.4226","","","","","","1.013","","","","has coordinates","244477","2020-10-21","18:00:00",""
"7238959","12.6212","0.0003","6.9825","0.0002","15.3469","0.0009","90","","101.991","0.003","90","","1322.97","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C60 H44 N4 O12 S4 -","4","1","","Majee, Debashis; Srivastava, Anvita; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed highly efficient synthesis of Z-5-alkylidene cyclic sulfamidate imines: an easy access to 5-alkyl-substituted cyclic sulfamidate imines","RSC Advances","2013","3","29","11502","","10.1039/c3ra40299a","","","0.71073","MoKα","","0.0377","0.0338","","","0.0861","0.0896","","","","","","1.032","","","","has coordinates","244478","2020-10-21","18:00:00",""
"7238960","9.8446","0.0003","14.244","0.0003","15.0095","0.0003","90","","97.378","0.002","90","","2087.3","0.09","293","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O5 S -","- C21 H25 N O5 S -","- C84 H100 N4 O20 S4 -","4","1","","Majee, Debashis; Srivastava, Anvita; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed highly efficient synthesis of Z-5-alkylidene cyclic sulfamidate imines: an easy access to 5-alkyl-substituted cyclic sulfamidate imines","RSC Advances","2013","3","29","11502","","10.1039/c3ra40299a","","","0.71073","MoKα","","0.0448","0.0393","","","0.1062","0.1111","","","","","","1.094","","","","has coordinates","244478","2020-10-21","18:00:00",""
"7238961","5.4787","0.0001","21.0779","0.0006","16.8942","0.0004","90","","93.526","0.002","90","","1947.24","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N4 O2 -","- C21 H24 N4 O2 -","- C84 H96 N16 O8 -","4","1","","Majee, Debashis; Srivastava, Anvita; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed highly efficient synthesis of Z-5-alkylidene cyclic sulfamidate imines: an easy access to 5-alkyl-substituted cyclic sulfamidate imines","RSC Advances","2013","3","29","11502","","10.1039/c3ra40299a","","","0.71073","MoKα","","0.0634","0.0501","","","0.1321","0.1427","","","","","","1.068","","","","has coordinates","244478","2020-10-21","18:00:00",""
"7238962","5.871","0.005","16.844","0.005","29.189","0.005","90","0.005","90","0.005","90","0.005","2887","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H11 Br2 Cl O -","- C15 H11 Br2 Cl O -","- C120 H88 Br16 Cl8 O8 -","8","1","","Xue, Hongxun; Tan, Hui; Wei, Donglei; Wei, Ying; Lin, Shaoxia; Liang, Fushun; Zhao, Baozhong","N-Bromosuccinimide‒carboxylic acid combination: mild and efficient access to dibromination of unsaturated carbonyl compounds","RSC Advances","2013","3","16","5382","","10.1039/c3ra40360b","","","0.71069","MoKα","","0.0727","0.0369","","","0.0692","0.0805","","","","","","1.012","","","","has coordinates","244479","2020-10-21","18:00:00",""
"7238963","22.833","0.002","22.833","0.002","25.201","0.003","90","","90","","90","","13138","2","150","2","150","2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","","","","- C72 H160 Cl2 Dy2 O58 V12 -","- C64 H144 Cl2 Dy2 O56 V12 -","- C256 H576 Cl8 Dy8 O224 V48 -","4","0.125","","Šimuneková, Mária; Prodius, Denis; Mereacre, Valeriu; Schwendt, Peter; Turta, Constantin; Bettinelli, Marco; Speghini, Adolfo; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","Tetradecanuclear lanthanide-vanadium “nanochocolates”: catalytically-active cationic heteropolyoxovanadium clusters","RSC Advances","2013","3","18","6299","","10.1039/c3ra40385h","","","0.71073","MoKα","","0.0918","0.0694","","","0.1871","0.2008","","","","","","1.057","","","","has coordinates,has disorder","244480","2020-10-21","18:00:00",""
"7238964","19.4147","0.0012","20.993","0.0013","46.517","0.004","90","","90","","90","","18959","2","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H123 Cl2 Dy2 O53 V12 -","- C54 H109.5 Cl Dy2 O53 V12 -","- C432 H876 Cl8 Dy16 O424 V96 -","8","1","","Šimuneková, Mária; Prodius, Denis; Mereacre, Valeriu; Schwendt, Peter; Turta, Constantin; Bettinelli, Marco; Speghini, Adolfo; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.","Tetradecanuclear lanthanide-vanadium “nanochocolates”: catalytically-active cationic heteropolyoxovanadium clusters","RSC Advances","2013","3","18","6299","","10.1039/c3ra40385h","","","0.71073","MoKα","","0.1177","0.0832","","","0.2062","0.2224","","","","","","1.112","","","","has coordinates,has disorder","244480","2020-10-21","18:00:00",""
"7238965","10.71","0.004","13.065","0.005","7.573","0.003","90","","97.613","0.005","90","","1050.3","0.7","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H7 N9 O6 -","- C4 H7 N9 O6 -","- C16 H28 N36 O24 -","4","1","","Song, Jinhong; Wang, Kai; Liang, Lixuan; Bian, Chengming; Zhou, Zhiming","High-energy-density materials based on 1-nitramino-2,4-dinitroimidazole","RSC Advances","2013","3","27","10859","","10.1039/c3ra40410b","","","0.71073","MoKα","","0.0558","0.0347","","","0.0729","0.0793","","","","","","1.002","","","","has coordinates","244481","2020-10-21","18:00:00",""
"7238966","8.5763","0.0004","11.3553","0.0005","14.2144","0.0007","88.862","0.004","73.88","0.004","85.889","0.004","1326.44","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 N3 S -","- C15 H11 N3 S -","- C60 H44 N12 S4 -","4","2","","Ramulu, B. Janaki; Chanda, Tanmoy; Chowdhury, Sushobhan; Nandi, Ganesh C.; Singh, Maya Shankar","Organocatalyzed straightforward synthesis of highly fluorescent 3,5-disubstituted 2,6-dicyanoanilines via domino annulation of α-enolicdithioesters with malononitrile","RSC Advances","2013","3","16","5345","","10.1039/c3ra40450a","","","0.71073","MoKα","","0.0642","0.0421","","","0.093","0.1043","","","","","","1.003","","","","has coordinates","244482","2020-10-21","18:00:00",""
"7238967","5.8622","0.0005","5.9939","0.0005","14.537","0.002","91.77","0.006","99.179","0.006","117.482","0.005","444.15","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C8 H12 O5 -","- C8 H12 O5 -","- C16 H24 O10 -","2","1","","Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M.","Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick","RSC Advances","2013","3","20","7265","","10.1039/c3ra40555a","","","0.71073","MoKα","","0.0577","0.0406","","","0.1005","0.1066","","","","","","1.063","","","","has coordinates","244483","2020-10-21","18:00:00",""
"7238968","19.425","0.003","6.0562","0.0008","20.621","0.004","90","","116.361","0.006","90","","2173.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 O5 -","- C11 H16 O5 -","- C88 H128 O40 -","8","2","","Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M.","Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick","RSC Advances","2013","3","20","7265","","10.1039/c3ra40555a","","","0.71073","MoKα","","0.1968","0.0643","","","0.1303","0.184","","","","","","0.944","","","","has coordinates","244483","2020-10-21","18:00:00",""
"7238969","6.0548","0.0019","6.263","0.0016","17.151","0.005","92.206","0.018","90.083","0.015","115.426","0.014","586.8","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O5 -","- C12 H18 O5 -","- C24 H36 O10 -","2","1","","Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M.","Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick","RSC Advances","2013","3","20","7265","","10.1039/c3ra40555a","","","0.71073","MoKα","","0.1503","0.0577","","","0.1191","0.1733","","","","","","1.006","","","","has coordinates","244483","2020-10-21","18:00:00",""
"7238970","9.8007","0.0003","6.1104","0.0004","21.5634","0.001","90","","112.699","0.003","90","","1191.33","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O7 -","- C12 H11 N O7 -","- C48 H44 N4 O28 -","4","1","","Griesbeck, Axel G.; Schlundt, Viktor; Neudörfl, Jörg M.","Functionalized polar 1,2,4-trioxanes as building blocks by singlet oxygenation of 4-hydroxy tiglic acid using the solvent deuterium isotope trick","RSC Advances","2013","3","20","7265","","10.1039/c3ra40555a","","","0.71073","MoKα","","0.0458","0.0344","","","0.0869","0.0916","","","","","","1.054","","","","has coordinates","244483","2020-10-21","18:00:00",""
"7238971","14.7073","0.001","12.5151","0.001","7.3471","0.0006","90","","96.386","0.007","90","","1343.94","0.18","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H18 O6 -","- C13 H18 O6 -","- C52 H72 O24 -","4","1","","Huang, Xiao-Jun; Wang, Lei; Shao, Meng; Hu, Shu-Zhi; Jiang, Ren-Wang; Yao, Xin-Sheng; Li, Yao-Lan; Yin, Zhi-Qi; Wang, Ying; Ye, Wen-Cai","Oleonin, the first secoiridoid with 1α-configuration from Ligustrum lucidum","RSC Advances","2013","3","37","16300","","10.1039/c3ra40557e","","","1.54184","CuKα","","0.0558","0.0435","","","0.1026","0.1107","","","","","","1.022","","","","has coordinates","244484","2020-10-21","18:00:00",""
"7238972","9.3776","0.0005","13.9561","0.0009","14.0544","0.0008","90","","90","","90","","1839.37","0.19","113","2","113","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","0.5","","Iwakura, Izumi; Kato, Saki; Hino, Ryotaro; Fukumoto, Ayumu; Komori-Orisaku, Keiko; Koide, Yoshihiro","Pulsed Nd:YAG laser induced high throughput stereospecific [2 + 2] cycloaddition of highly organized 1,2-bis(4-pyridyl)ethylene in a supramolecular scaffold","RSC Advances","2013","3","16","5354","","10.1039/c3ra40558c","","","0.71075","MoKα","","0.0686","0.0597","","","0.1763","0.1916","","","","","","1.144","","","","has coordinates","244485","2020-10-21","18:00:00",""
"7238973","12.023","0.008","12.412","0.008","16.806","0.011","90","","109.855","0.007","90","","2359","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 N O2 S -","- C30 H23 N O2 S -","- C120 H92 N4 O8 S4 -","4","1","","Xiao, Qing; Luo, Yong; Yan, Yujun; Ding, Qiuping; Wu, Jie","A palladium-catalyzed reaction of 2-alkynylbromobenzene with 2-(2-alkynyl)benzenesulfonamide","RSC Advances","2013","3","17","5779","","10.1039/c3ra40582f","","","0.71073","MoKα","","0.0623","0.0498","","","0.1251","0.1336","","","","","","1.065","","","","has coordinates","244486","2020-10-21","18:00:00",""
"7238974","16.85","0.004","6.4351","0.0018","22.782","0.006","90","","107.41","0.03","90","","2357.1","1.1","291.15","","291.15","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 -","- C34 H24 -","- C136 H96 -","4","1","","Li, Ye-Xin; Pang, Mao-Ping; Zhang, Zhen-Wei; Li, Guo-Bao; Sun, Guo-Xin","Substitution position tuning of the different aggregation-induced emission properties of four (1-naphthyl)vinyl(9-anthryl)vinylbenzene isomers: from ACQ to AIEE and AIE","RSC Advances","2013","3","35","14950","","10.1039/c3ra40612a","","","0.7107","MoKα","","0.21","0.0718","","","0.1227","0.1774","","","","","","1.025","","","","has coordinates","244487","2020-10-21","18:00:00",""
"7238975","15.7869","0.0007","6.0629","0.0003","25.6359","0.001","90","","107.102","0.005","90","","2345.23","0.19","291.15","","291.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 -","- C34 H24 -","- C136 H96 -","4","1","","Li, Ye-Xin; Pang, Mao-Ping; Zhang, Zhen-Wei; Li, Guo-Bao; Sun, Guo-Xin","Substitution position tuning of the different aggregation-induced emission properties of four (1-naphthyl)vinyl(9-anthryl)vinylbenzene isomers: from ACQ to AIEE and AIE","RSC Advances","2013","3","35","14950","","10.1039/c3ra40612a","","","0.7107","MoKα","","0.0934","0.053","","","0.1104","0.1298","","","","","","1.012","","","","has coordinates","244487","2020-10-21","18:00:00",""
"7238976","8.781","0.004","10.43","0.004","13.144","0.005","87.774","0.005","82.039","0.006","80.848","0.005","1176.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 Cl2 N2 O -","- C30 H18 Cl2 N2 O -","- C60 H36 Cl4 N4 O2 -","2","1","","Liu, Gang; Liu, Hongliang; Pu, Shouzhi; Wu, Jie","An unexpected silver triflate-catalyzed reaction of 2-alkynylbenzaldoxime in the presence of benzoyl chloride","RSC Advances","2013","3","27","10666","","10.1039/c3ra40615f","","","0.71073","MoKα","","0.0893","0.0665","","","0.2005","0.2337","","","","","","1.103","","","","has coordinates","244488","2020-10-21","18:00:00",""
"7238977","12.522","0.003","22.397","0.005","9.999","0.002","90","","90","","90","","2804.3","1.1","296","2","296","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C29 H21 B Cl2 F2 Ir N3 O3 -","- C29 H21 B Cl2 F2 Ir N3 O3 -","- C116 H84 B4 Cl8 F8 Ir4 N12 O12 -","4","1","","Sun, Huibin; Yang, Lijuan; Yang, Huiran; Liu, Shujuan; Xu, Wenjuan; Liu, Xiangmei; Tu, Zhenzhen; Su, Haiquan; Zhao, Qiang; Huang, Wei","Heteronuclear phosphorescent iridium(iii) complexes with tunable photophysical and excited-state properties by chelating BF2 moiety for application in bioimaging","RSC Advances","2013","3","23","8766","","10.1039/c3ra40639c","","","0.71073","MoKα","","0.0322","0.0266","","","0.0621","0.0681","","","","","","1.047","","","","has coordinates","244489","2020-10-21","18:00:00",""
"7238978","26.5063","0.0014","14.8912","0.0008","19.0898","0.0014","90","","100.821","0.007","90","","7401","0.8","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H41 N2 O10 -","- C41 H41 N2 O9.5 -","- C328 H328 N16 O76 -","8","1","","Ibrahim, Yehia A.; Al-Awadi, Nouria A.; Al-Azemi, Talal F.; Abraham, Susan; John, Elizabeth","Sequential Staudinger ketene‒imine cycloaddition, RCM approach to polycyclic macrocyclic bisazetidinones","RSC Advances","2013","3","18","6408","","10.1039/c3ra40649k","","","0.71075","MoKα","","","0.0506","","","","0.1506","","","","","","1.037","","","","has coordinates","244490","2020-10-21","18:00:00",""
"7238979","11.8216","0.0004","19.5371","0.0006","17.1819","0.0012","90","","108.392","0.008","90","","3765.6","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H44 N2 O9 -","- C43 H44 N2 O9 -","- C172 H176 N8 O36 -","4","1","","Ibrahim, Yehia A.; Al-Awadi, Nouria A.; Al-Azemi, Talal F.; Abraham, Susan; John, Elizabeth","Sequential Staudinger ketene‒imine cycloaddition, RCM approach to polycyclic macrocyclic bisazetidinones","RSC Advances","2013","3","18","6408","","10.1039/c3ra40649k","","","0.71075","MoKα","","","0.0596","","","","0.1841","","","","","","1.095","","","","has coordinates","244491","2020-10-21","18:00:00",""
"7238980","29.474","0.011","5.5845","0.0018","14.548","0.005","90","","111.92","0.04","90","","2221.5","1.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H27 N3 O8 -","- C20 H27 N3 O8 -","- C80 H108 N12 O32 -","4","1","","Soni, Kiran; Sah, Ajay K.","Alanyl glycoconjugate: a selective receptor for free and protein-bound tryptophan","RSC Advances","2013","3","30","12096","","10.1039/c3ra40668g","","","0.71073","MoKα","","0.1337","0.0649","","","0.1672","0.1984","","","","","","0.893","","","","has coordinates","244492","2020-10-21","18:00:00",""
"7238981","13.8463","0.0013","10.151","0.0011","10.2472","0.0008","90","","91.449","0.008","90","","1439.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br2 N2 -","- C15 H10 Br2 N2 -","- C60 H40 Br8 N8 -","4","1","","Zhang, Jiajun; Meng, Ling-Guo; Li, Pinhua; Wang, Lei","The sequential reactions of tetrazoles with bromoalkynes for the synthesis of (Z)-N-(2-bromo-1-vinyl)-N-arylcyanamides and 2-arylindoles","RSC Advances","2013","3","19","6807","","10.1039/c3ra40669e","","","0.71073","MoKα","","0.0839","0.0415","","","0.0753","0.0896","","","","","","1.039","","","","has coordinates","244493","2020-10-21","18:00:00",""
"7238982","13.499","0.0012","10.1988","0.0009","10.2864","0.0011","90","","92.019","0.001","90","","1415.3","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Br Cl N2 -","- C15 H10 Br Cl N2 -","- C60 H40 Br4 Cl4 N8 -","4","1","","Zhang, Jiajun; Meng, Ling-Guo; Li, Pinhua; Wang, Lei","The sequential reactions of tetrazoles with bromoalkynes for the synthesis of (Z)-N-(2-bromo-1-vinyl)-N-arylcyanamides and 2-arylindoles","RSC Advances","2013","3","19","6807","","10.1039/c3ra40669e","","","0.71073","MoKα","","0.0647","0.0363","","","0.0771","0.0871","","","","","","1.048","","","","has coordinates,has disorder","244493","2020-10-21","18:00:00",""
"7238983","10.706","0.002","14.746","0.003","16.87","0.004","90","","90","","90","","2663.3","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 F3 N O4 S -","- C9 H16 F3 N O4 S -","- C72 H128 F24 N8 O32 S8 -","8","2","","Shevchuk, Michael V.; Kukhar, Valery P.; Röschenthaler, Gerd-Volker; Bassil, Bassem S.; Kawada, Kosuke; Soloshonok, Vadim A.; Sorochinsky, Alexander E.","New asymmetric approach to β-trifluoromethyl isoserines","RSC Advances","2013","3","18","6479","","10.1039/c3ra40687c","","","0.71073","MoKα","","0.0262","0.0242","","","0.0594","0.0601","","","","","","1.026","","","","has coordinates","244494","2020-10-21","18:00:00",""
"7238984","25.049","0.002","8.4762","0.0007","8.8991","0.0008","90","","90","","90","","1889.5","0.3","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C14 H24 F3 N O6 S -","- C14 H24 F3 N O6 S -","- C56 H96 F12 N4 O24 S4 -","4","1","","Shevchuk, Michael V.; Kukhar, Valery P.; Röschenthaler, Gerd-Volker; Bassil, Bassem S.; Kawada, Kosuke; Soloshonok, Vadim A.; Sorochinsky, Alexander E.","New asymmetric approach to β-trifluoromethyl isoserines","RSC Advances","2013","3","18","6479","","10.1039/c3ra40687c","","","0.71073","MoKα","","0.0477","0.0455","","","0.1237","0.1251","","","","","","1.017","","","","has coordinates","244494","2020-10-21","18:00:00",""
"7238985","9.689","0.004","15.769","0.009","18.511","0.007","90","","119.76","0.017","90","","2455","2","291","2","291","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C120 H112 O16 -","4","1","","Qi, Qingkai; Liu, Yifei; Fang, Xiaofeng; Zhang, Yumo; Chen, Peng; Wang, Yi; Yang, Bing; Xu, Bin; Tian, Wenjing; Zhang, Sean Xiao-An","AIE (AIEE) and mechanofluorochromic performances of TPE-methoxylates: effects of single molecular conformations","RSC Advances","2013","3","21","7996","","10.1039/c3ra40734a","","","0.71073","MoKα","","0.1162","0.0547","","","0.1388","0.1673","","","","","","1.035","","","","has coordinates","244495","2020-10-21","18:00:00",""
"7238986","19.567","0.012","5.624","0.004","13.776","0.012","90","","125.66","0.03","90","","1231.7","1.6","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C30 H28 O4 -","- C30 H28 O4 -","- C60 H56 O8 -","2","0.5","","Qi, Qingkai; Liu, Yifei; Fang, Xiaofeng; Zhang, Yumo; Chen, Peng; Wang, Yi; Yang, Bing; Xu, Bin; Tian, Wenjing; Zhang, Sean Xiao-An","AIE (AIEE) and mechanofluorochromic performances of TPE-methoxylates: effects of single molecular conformations","RSC Advances","2013","3","21","7996","","10.1039/c3ra40734a","","","0.71073","MoKα","","0.0559","0.0387","","","0.0961","0.1064","","","","","","1.052","","","","has coordinates","244495","2020-10-21","18:00:00",""
"7238987","13.427","0.0013","5.6126","0.0005","16.7627","0.0019","90","","91.685","0.01","90","","1262.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(4-methoxyphenyl)isoquinolin-1-amine","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Rao, D. Nageswar; Rasheed, Sk.; Aravinda, S.; Vishwakarma, Ram A.; Das, Parthasarathi","Base and ligand free copper-catalyzed N-arylation of 2-amino-N-heterocycles with boronic acids in air","RSC Advances","2013","3","29","11472","","10.1039/c3ra40735g","","","0.71073","MoKα","","0.2057","0.0562","","","0.0782","0.1153","","","","","","0.954","","","","has coordinates","244496","2020-10-21","18:00:00",""
"7238988","10.8173","0.0019","11.0856","0.0019","13.235","0.002","89.971","0.01","69.525","0.01","63.586","0.011","1308.7","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N9 O8 -","- C19 H25 N9 O8 -","- C38 H50 N18 O16 -","2","1","","Radhakrishnan, K.; Burgula, Laxmi Narayana; Kundu, Lal Mohan","Watson‒Crick and Hoogsteen tri-base pairing: a co-crystal structure of a 2 : 1 complex of 6-isopropyluracil and adenine nucleobases","RSC Advances","2013","3","20","7282","","10.1039/c3ra40766g","","","0.71073","MoKα","","0.089","0.0645","","","0.1749","0.1892","","","","","","0.892","","","","has coordinates","244497","2020-10-21","18:00:00",""
"7238989","8.9957","0.0019","13.855","0.003","11.033","0.002","90","","90.941","0.006","90","","1374.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Cd Cl2 N4 S -","- C9 H12 Cd Cl2 N4 S -","- C36 H48 Cd4 Cl8 N16 S4 -","4","1","","Manikandan, Rajendran; Chitrapriya, Nataraj; Jang, Yoon Jung; Viswanathamurthi, Periasamy","Evaluation of DNA-binding, radical scavenging and cytotoxic activity of five coordinated Cd(ii) complexes containing 2-acetylpyridine-N4-substituted thiosemicarbazone","RSC Advances","2013","3","29","11647","","10.1039/c3ra40814k","","","0.71073","MoKα","","0.0341","0.0289","","","0.0786","0.0822","","","","","","1.045","","","","has coordinates","244498","2020-10-21","18:00:00",""
"7238990","7.119","0.0005","7.462","0.0005","12.573","0.0009","76.093","0.003","85.589","0.003","73.234","0.003","620.74","0.08","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H14 O4 -","- C16 H14 O4 -","- C32 H28 O8 -","2","1","","Petrov, Vesselin; Diniz, Ana Marta; Cunha-Silva, Luís; Parola, A. Jorge; Pina, Fernando","Kinetic and thermodynamic study of 2′-hydroxy-8-methoxyflavylium. Reaction network interconverting flavylium cation and flavanone","RSC Advances","2013","3","27","10786","","10.1039/c3ra40846a","","","0.71073","MoKα","","0.056","0.038","","","0.09","0.0988","","","","","","1.028","","","","has coordinates","244499","2020-10-21","18:00:00",""
"7238991","18.8356","0.0003","9.5741","0.0001","15.4158","0.0002","90","","103.78","0.001","90","","2699.98","0.06","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O9 -","- C28 H28 N2 O9 -","- C112 H112 N8 O36 -","4","1","","Tan, Wei; Zhu, Xiao-Tong; Zhang, Shu; Xing, Gui-Juan; Zhu, Ren-Yi; Shi, Feng","Diversity-oriented synthesis of spiro-oxindole-based 2,5-dihydropyrroles via three-component cycloadditions and evaluation on their cytotoxicity","RSC Advances","2013","3","27","10875","","10.1039/c3ra40874d","","","1.54184","CuKα","","0.0501","0.0436","","","0.1179","0.1253","","","","","","1.061","","","","has coordinates","244500","2020-10-21","18:00:00",""
"7238992","9.5334","0.0004","6.4275","0.0002","13.057","0.0005","90","","108.293","0.002","90","","759.65","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N4 S -","- C17 H14 N4 S -","- C34 H28 N8 S2 -","2","1","","Basu, Arghya; Thiyagarajan, Durairaj; Kar, Chirantan; Ramesh, Aiyagari; Das, Gopal","Synthesis, crystal structure and bio-macromolecular interaction studies of pyridine-based thiosemicarbazone and its Ni(ii) and Cu(ii) complexes","RSC Advances","2013","3","33","14088","","10.1039/c3ra40904j","","","0.71073","MoKα","","0.0479","0.0444","","","0.1197","0.1237","","","","","","0.909","","","","has coordinates","244501","2020-10-21","18:00:00",""
"7238993","9.0267","0.001","33.436","0.003","12.2036","0.0011","90","","100.916","0.006","90","","3616.6","0.6","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H33 N9 Ni O S2 -","- C37 H33 N9 Ni O S2 -","- C148 H132 N36 Ni4 O4 S8 -","4","2","","Basu, Arghya; Thiyagarajan, Durairaj; Kar, Chirantan; Ramesh, Aiyagari; Das, Gopal","Synthesis, crystal structure and bio-macromolecular interaction studies of pyridine-based thiosemicarbazone and its Ni(ii) and Cu(ii) complexes","RSC Advances","2013","3","33","14088","","10.1039/c3ra40904j","","","0.71073","MoKα","","0.2287","0.0879","","","0.2039","0.206","","","","","","0.857","","","","has coordinates","244501","2020-10-21","18:00:00",""
"7238994","7.5413","0.0004","13.9846","0.0008","15.6339","0.0009","90","","101.29","0.003","90","","1616.88","0.16","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl Cu N4 S -","- C17 H13 Cl Cu N4 S -","- C68 H52 Cl4 Cu4 N16 S4 -","4","1","","Basu, Arghya; Thiyagarajan, Durairaj; Kar, Chirantan; Ramesh, Aiyagari; Das, Gopal","Synthesis, crystal structure and bio-macromolecular interaction studies of pyridine-based thiosemicarbazone and its Ni(ii) and Cu(ii) complexes","RSC Advances","2013","3","33","14088","","10.1039/c3ra40904j","","","0.71073","MoKα","","0.0528","0.0306","","","0.0721","0.0771","","","","","","0.912","","","","has coordinates","244501","2020-10-21","18:00:00",""
"7238995","8.6741","0.0009","9.1126","0.0009","12.8419","0.0011","96.627","0.007","102.887","0.008","106.395","0.009","931.84","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","macrocycle","(6Z,16E)-2,9-Dioxa-17-methoxycarbonyltricyclo[17.3.0.010,15]docosane-1(19),6,10(15),11,13,16-hexaen-20-one","","- C22 H24 O5 -","- C22 H24 O5 -","- C44 H48 O10 -","2","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis‒Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0727","0.0471","","","0.1042","0.1214","","","","","","1.035","","","","has coordinates","244503","2020-10-21","18:00:00",""
"7238996","12.6354","0.0009","10.1017","0.0007","15.6517","0.0011","90","","95.22","0.001","90","","1989.5","0.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","macrocycle","(4E,15E)-10,10-Dimethyl-2,7-dioxa-15-methoxycarbonyltricyclo [15.4.0.08,13]henicosane-1(17),4,8(13),15,18,20-hexaen-12-one","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis‒Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.1257","0.0975","","","0.1821","0.1945","","","","","","1.289","","","","has coordinates","244503","2020-10-21","18:00:00",""
"7238997","9.5864","0.0007","12.2835","0.0009","14.5863","0.001","90","","97.979","0.001","90","","1701","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","macrocycle","(4E,14E)-2,7-Dioxa-15-methoxycarbonyltricyclo[15.3.0.08,13] icosane-1(17),4,8(13),9,11,14-hexaen- 18-one","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis‒Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0955","0.0567","","","0.1175","0.134","","","","","","1.006","","","","has coordinates","244503","2020-10-21","18:00:00",""
"7238998","20.44","0.006","10.579","0.003","7.873","0.002","90","","92.119","0.005","90","","1701.3","0.8","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","macrocycle","(4Z,14E)-2,7-Dioxa-15-methoxycarbonyltricyclo[15.3.0.08,13] icosane-1(17),4,8(13),9,11,14-hexaen-18-one","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis‒Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0637","0.0503","","","0.1106","0.1175","","","","","","1.095","","","","has coordinates","244503","2020-10-21","18:00:00",""
"7238999","8.4362","0.0009","10.6638","0.0012","12.5335","0.0014","76.146","0.002","79.366","0.002","84.811","0.002","1074.7","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","macrocycle","(4E,16E)-11,11-Dimethyl-2,8-dioxa-16-methoxycarbonyltricyclo[16.4.0.09,14]docosane-1(18),4,9(14),16,19,-21-hexaen-13-one","","- C24 H28 O5 -","- C24 H28 O5 -","- C48 H56 O10 -","2","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis‒Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0954","0.085","","","0.215","0.2211","","","","","","1.178","","","","has coordinates","244503","2020-10-21","18:00:00",""
"7239000","12.4423","0.0016","12.3999","0.0016","13.5967","0.0018","90","","97.19","0.002","90","","2081.2","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(7Z,17E)-2,10-Dioxa-18-methoxycarbonyltricyclo(18.3.0.011,16) tricosane-1(20),7,11(16),12,14,17-hexaen-21-one","(7Z,17E)-2,10-Dioxa-18-methoxycarbonyltricyclo[18.3.0.011,16] tricosane-1(20),7,11(16),12,14,17-hexaen-21-one","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis‒Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0865","0.0662","","","0.1879","0.2083","","","","","","1.061","","","","has coordinates,has disorder","244503","2020-10-21","18:00:00",""
"7239001","12.518","0.002","8.3814","0.0013","23.699","0.004","90","","103.33","0.003","90","","2419.5","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","macrocycle","(11E,21E)-2,14-Dioxa-22-methoxycarbonyltricyclo[22.3.0.015,20]heptacosane-1(24),11,15(20),16,18,21-hexaen-25-one","","- C27 H34 O5 -","- C27 H34 O5 -","- C108 H136 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis‒Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.1089","0.0828","","","0.2082","0.225","","","","","","1.12","","","","has coordinates","244503","2020-10-21","18:00:00",""
"7239002","12.1101","0.001","12.3001","0.001","13.492","0.0011","90","","90","","90","","2009.7","0.3","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","macrocycle","(4E,15E)-10,10-Dimethyl-2,7-dioxa-15-methoxycarbonyltricyclo[15.3.1.08,13]henicosane-1(21),4,-8(13),15,17,19-hexaen-12-one","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis‒Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0693","0.0631","","","0.1357","0.1395","","","","","","1.142","","","","has coordinates","244503","2020-10-21","18:00:00",""
"7239003","25.1535","0.0018","8.7953","0.0006","36.307","0.003","90","","96.419","0.001","90","","7981.9","1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","(4Z,15E)-10,10-Dimethyl-2,7-dioxa-15-methoxycarbonyltricyclo (15.3.1.08,13)henicosane-1(21),4,8(13),15,17,19-hexaen-12-one","(4Z,15E)-10,10-Dimethyl-2,7-dioxa-15-methoxycarbonyltricyclo [15.3.1.08,13]henicosane-1(21),4,8(13),15,17,19-hexaen-12-one","","- C23 H26 O5 -","- C23 H26 O5 -","- C368 H416 O80 -","16","2","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis‒Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0658","0.0595","","","0.1441","0.1482","","","","","","1.101","","","","has coordinates","244503","2020-10-21","18:00:00",""
"7239004","15.8167","0.0012","8.221","0.0006","15.9694","0.0012","90","","116.312","0.001","90","","1861.3","0.2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","macrocycle","(4E,16E)-2,8-Dioxa-16-methoxycarbonyltricyclo[16.3.1.09,14]docosane-1(22),4,9(14),16,18,20-hexaen-13-one","","- C22 H24 O5 -","- C22 H24 O5 -","- C88 H96 O20 -","4","1","","Basavaiah, Deevi; Kumar, Katta Santosh; Aravindu, Kunche; Lingaiah, Balthu","The Baylis‒Hillman acetates in organic synthesis: development of a facile strategy for synthesis of functionalized unsaturated benzo-fused macrocyclic ethers and [n] metacyclophanes","RSC Advances","2013","3","25","9629","","10.1039/c3ra40926k","","","0.71073","MoKα","","0.0567","0.0519","","","0.1315","0.1368","","","","","","1.078","","","","has coordinates","244503","2020-10-21","18:00:00",""
"7239005","7.343","0.0007","12.189","0.0011","12.8943","0.0011","70.277","0.008","87.489","0.007","81.431","0.008","1074.23","0.18","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","ethyl 6-nitro-1H-indazole-3-carboxylate","","- C10 H9 N3 O4 -","- C10 H9 N3 O4 -","- C40 H36 N12 O16 -","4","2","","Ramesh, Samikannu; Arunachalam, Pirama Nayagam; Lalitha, Appaswami","Regioselective ethoxy-carbonylation of indoles and indazoles using DEAD and tetraethylammonium cyanide","RSC Advances","2013","3","23","8666","","10.1039/c3ra40972d","","","0.71073","MoKα","","0.1483","0.0965","","","0.2696","0.324","","","","","","1.033","","","","has coordinates","244504","2020-10-21","18:00:00",""
"7239006","19.5407","0.0009","8.005","0.0004","6.7851","0.0003","90","","90","","90","","1061.35","0.09","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","S-3-benzyl-4-methyl-1,3-oxazolidine-2-thione, compound 11","","- C11 H13 N O S -","- C11 H13 N O S -","- C44 H52 N4 O4 S4 -","4","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0334","0.0282","","","0.067","0.0692","","","","","","1.081","","","","has coordinates","244505","2020-10-21","18:00:00",""
"7239007","7.4816","0.0002","15.2728","0.0004","9.6621","0.0003","90","","97.115","0.002","90","","1095.54","0.05","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","N-t-Butoxycarbonyl-4-methyl-1,3-oxazolidine-2-thione, 14","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0367","0.0293","","","0.0722","0.0759","","","","","","1.055","","","","has coordinates","244505","2020-10-21","18:00:00",""
"7239008","9.1981","0.0004","9.2778","0.0003","23.4543","0.0011","90","","90","","90","","2001.55","0.14","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-t-Butoxycarbonyl-4-methyl-1,3-oxazolidine-2-one, 17","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C72 H120 N8 O32 -","8","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0724","0.0494","","","0.095","0.1008","","","","","","1.063","","","","has coordinates","244505","2020-10-21","18:00:00",""
"7239009","9.6972","0.0006","6.7661","0.0003","17.4884","0.001","90","","100.177","0.005","90","","1129.4","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Butoxycarbonyl-4-methylthiazolidin-2-one, compound 31","","- C9 H15 N O3 S -","- C9 H15 N O3 S -","- C36 H60 N4 O12 S4 -","4","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0625","0.0516","","","0.1188","0.1271","","","","","","1.032","","","","has coordinates","244505","2020-10-21","18:00:00",""
"7239010","11.4804","0.0003","9.954","0.0003","28.7919","0.0008","90","","90","","90","","3290.22","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(+/-)N-(t-Butoxycarbonyl)-O-(2',2'-dimethylpropanethiocarbonyl)-alaninol compound 35","","- C13 H25 N O3 S -","- C13 H25 N O3 S -","- C104 H200 N8 O24 S8 -","8","2","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0939","0.0636","","","0.1478","0.1595","","","","","","1.009","","","","has coordinates","244505","2020-10-21","18:00:00",""
"7239011","13.1321","0.0004","11.0452","0.0003","10.1525","0.0003","90","","100.532","0.003","90","","1447.78","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N,N-Dimethyl-O-((N'-Boc)-2-aminopropyl) thionocarbamate compound 36","","- C11 H22 N2 O3 S -","- C11 H22 N2 O3 S -","- C44 H88 N8 O12 S4 -","4","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0505","0.0387","","","0.1099","0.1132","","","","","","1.082","","","","has coordinates","244505","2020-10-21","18:00:00",""
"7239012","5.9611","0.0002","19.2487","0.0006","17.6222","0.0005","90","","94.909","0.003","90","","2014.61","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N,N-Dimethyl-O-((N',N'-di-Boc)-2-aminopropyl) thionocarbamate compound 37","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C64 H120 N8 O20 S4 -","4","1","","Awheda, Ismail; Saygili, Nezire; Garner, A. Christopher; Wallis, John D.","Activation and regioselectivity of five-membered cyclic thionocarbamates to nucleophilic attack","RSC Advances","2013","3","47","24997","","10.1039/c3ra41074a","","","0.71073","MoKα","","0.0562","0.0398","","","0.1018","0.1058","","","","","","1.058","","","","has coordinates","244505","2020-10-21","18:00:00",""
"7239013","12.2603","0.001","12.7294","0.0011","10.9082","0.0009","90","","110.413","0.006","90","","1595.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H28 N2 O3 -","- C13 H28 N2 O3 -","- C52 H112 N8 O12 -","4","1","","Wang, Hui; Gurau, Gabriela; Kelley, Steven P.; Myerson, Allan S.; Rogers, Robin D.","Hydrophobic vs. hydrophilic ionic liquid separations strategies in support of continuous pharmaceutical manufacturing","RSC Advances","2013","3","25","10019","","10.1039/c3ra41082j","","","0.71073","MoKα","","0.1278","0.0675","","","0.1561","0.1907","","","","","","1.027","","","","has coordinates,has disorder","244506","2020-10-21","18:00:00",""
"7239014","9.1727","0.0012","12.4922","0.0014","15.7956","0.0017","90","","104.861","0.012","90","","1749.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl0 O2 S -","- C11.4286 H6.28571 Cl0.571429 O1.71429 S1.14286 -","- C80 H44 Cl4 O12 S8 -","7","1.75","","Shukla, Gaurav; Verma, Girijesh Kumar; Nagaraju, Anugula; Verma, Rajiv Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","DMAP mediated one-pot domino thienannulation: a versatile, regioselective and green mechanochemical route to naphtho[2,3-b]thiophenes","RSC Advances","2013","3","33","13811","","10.1039/c3ra41100a","","","0.71073","MoKα","","0.1034","0.0636","","","0.1618","0.1954","","","","","","1.046","","","","has coordinates","244507","2020-10-21","18:00:00",""
"7239015","8.245","0.005","8.504","0.005","12.515","0.005","97.9","0.005","92.639","0.005","113.007","0.005","795.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","naphtho[b]thiophene","","","- C18 H10 O3 S3 -","- C18 H10 O3 S3 -","- C36 H20 O6 S6 -","2","1","","Shukla, Gaurav; Verma, Girijesh Kumar; Nagaraju, Anugula; Verma, Rajiv Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","DMAP mediated one-pot domino thienannulation: a versatile, regioselective and green mechanochemical route to naphtho[2,3-b]thiophenes","RSC Advances","2013","3","33","13811","","10.1039/c3ra41100a","","","0.71073","MoKα","","0.0597","0.0439","","","0.1173","0.1285","","","","","","1.045","","","","has coordinates","244507","2020-10-21","18:00:00",""
"7239016","6.1217","0.0014","11.429","0.003","11.589","0.003","85.145","0.019","83.541","0.019","80.709","0.019","793.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C36 H34 N2 O6 S2 -","2","1","","Shukla, Gaurav; Verma, Girijesh Kumar; Nagaraju, Anugula; Verma, Rajiv Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar","DMAP mediated one-pot domino thienannulation: a versatile, regioselective and green mechanochemical route to naphtho[2,3-b]thiophenes","RSC Advances","2013","3","33","13811","","10.1039/c3ra41100a","","","0.71073","MoKα","","0.1626","0.1058","","","0.2586","0.3071","","","","","","1.079","","","","has coordinates","244507","2020-10-21","18:00:00",""
"7239017","25.197","0.005","12.849","0.005","25.351","0.005","90","0.005","105.04","0.005","90","0.005","7926","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H47 Cl2 N17 O8 Ru2 -","- C71 H47 Cl2 N17 O8 Ru2 -","- C284 H188 Cl8 N68 O32 Ru8 -","4","1","","Saha, Debasish; Das, Shyamal; Karmakar, Srikanta; Dutta, Supriya; Baitalik, Sujoy","Synthesis, structural characterization and anion-, cation- and solvent-induced tuning of photophysical properties of a bimetallic Ru(ii) complex: combined experimental and DFT/TDDFT investigation","RSC Advances","2013","3","38","17314","","10.1039/c3ra41114a","","","0.71073","MoKα","","0.1312","0.0779","","","0.1885","0.2084","","","","","","1.042","","","","has coordinates","244508","2020-10-21","18:00:00",""
"7239018","21.75","0.006","9.476","0.003","24.315","0.007","90","","101.661","0.004","90","","4908","2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 N2 O6 -","- C27 H26 N2 O6 -","- C216 H208 N16 O48 -","8","1","","Huang, Lan; Su, Jingru; Zhong, Desheng; Wang, Haibo; Liu, Ruiyuan; Yu, Le; Zhu, Qiuhua; Liu, Shuwen","Copper-induced fluorescence enhancement and particle-size decrease of a C-6 unsubstituted tetrahydropyrimidine racemate","RSC Advances","2013","3","32","13286","","10.1039/c3ra41121d","","","0.71073","MoKα","","0.1063","0.0574","","","0.1305","0.1573","","","","","","1.041","","","","has coordinates","244509","2020-10-21","18:00:00",""
"7239019","5.9139","0.0018","18.664","0.006","8.834","0.003","90","","93.314","0.005","90","","973.4","0.5","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H15 Cl N2 O5 -","- C23 H15 Cl N2 O5 -","- C46 H30 Cl2 N4 O10 -","2","1","","Ma, Shijun; Wu, Lulu; Liu, Ming; Xu, Xiufang; Huang, Yaodong; Wang, Yongmei","Highly enantioselective aza-Michael addition reactions of 4-nitrophthalimide with α,β-unsaturated ketones","RSC Advances","2013","3","29","11498","","10.1039/c3ra41179f","","","0.71073","MoKα","","0.0434","0.0309","","","0.0531","0.0555","","","","","","1.017","","","","has coordinates","244510","2020-10-21","18:00:00",""
"7239020","11.3616","0.0015","11.6419","0.0015","14.837","0.0019","90","","96.197","0.002","90","","1951","0.4","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H20 O -","- C28 H20 O -","- C112 H80 O4 -","4","1","","Teng, Ming-yu; Liu, Ying; Li, Shao-lu; Huang, Guoli; Jiang, Juli; Wang, Leyong","Synthesis, chemo-selective properties of substituted 9-aryl-9H-fluorenes from triarylcarbinols and enantiomerical kinetics of chiral 9-methoxy-11-(naphthalen-1-yl)-11H-benzo[a]fluorene","RSC Advances","2013","3","23","9016","","10.1039/c3ra41273c","","","0.71073","MoKα","","0.1055","0.0416","","","0.0625","0.0711","","","","","","0.964","","","","has coordinates","244511","2020-10-21","18:00:00",""
"7239021","12.975","0.003","7.2022","0.0015","19.2","0.004","90","","94.338","0.003","90","","1789.1","0.7","153","2","153","2","","","","","","","","2","P -1","-P 1","2","","","","- C27 H18 -","- C27 H18 -","- C108 H72 -","4","2","","Teng, Ming-yu; Liu, Ying; Li, Shao-lu; Huang, Guoli; Jiang, Juli; Wang, Leyong","Synthesis, chemo-selective properties of substituted 9-aryl-9H-fluorenes from triarylcarbinols and enantiomerical kinetics of chiral 9-methoxy-11-(naphthalen-1-yl)-11H-benzo[a]fluorene","RSC Advances","2013","3","23","9016","","10.1039/c3ra41273c","","","0.71073","MoKα","","0.1354","0.0662","","","0.1318","0.1471","","","","","","1.014","","","","has coordinates","244511","2020-10-21","18:00:00",""
"7239022","15.412","0.002","5.8149","0.0009","19.488","0.003","90","","96.633","0.002","90","","1734.8","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 O3 -","- C22 H20 O3 -","- C88 H80 O12 -","4","1","","Teng, Ming-yu; Liu, Ying; Li, Shao-lu; Huang, Guoli; Jiang, Juli; Wang, Leyong","Synthesis, chemo-selective properties of substituted 9-aryl-9H-fluorenes from triarylcarbinols and enantiomerical kinetics of chiral 9-methoxy-11-(naphthalen-1-yl)-11H-benzo[a]fluorene","RSC Advances","2013","3","23","9016","","10.1039/c3ra41273c","","","0.71073","MoKα","","0.0766","0.0472","","","0.1006","0.1091","","","","","","1.053","","","","has coordinates","244511","2020-10-21","18:00:00",""
"7239023","10.533","0.002","6.5954","0.0013","26.832","0.005","90","","97.565","0.003","90","","1847.8","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 O2 -","- C25 H20 O2 -","- C100 H80 O8 -","4","1","","Teng, Ming-yu; Liu, Ying; Li, Shao-lu; Huang, Guoli; Jiang, Juli; Wang, Leyong","Synthesis, chemo-selective properties of substituted 9-aryl-9H-fluorenes from triarylcarbinols and enantiomerical kinetics of chiral 9-methoxy-11-(naphthalen-1-yl)-11H-benzo[a]fluorene","RSC Advances","2013","3","23","9016","","10.1039/c3ra41273c","","","0.71073","MoKα","","0.0822","0.0484","","","0.1167","0.1308","","","","","","0.971","","","","has coordinates","244511","2020-10-21","18:00:00",""
"7239024","10.949","0.002","17.19","0.003","12.099","0.002","90","","90","","90","","2277.2","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H17 Cl4 Fe O -","- C23 H17 Cl4 Fe O -","- C92 H68 Cl16 Fe4 O4 -","4","0.5","","Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan","Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts","RSC Advances","2013","3","22","8232","","10.1039/c3ra41274a","","","0.71073","MoKα","","0.1538","0.0765","","","0.1697","0.2092","","","","","","1","","","","has coordinates","244512","2020-10-21","18:00:00",""
"7239025","13.319","0.006","18.375","0.007","19.555","0.008","90","","90","","90","","4786","3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H19 Cl4 Fe O2 -","- C24 H19 Cl4 Fe O2 -","- C192 H152 Cl32 Fe8 O16 -","8","1","","Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan","Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts","RSC Advances","2013","3","22","8232","","10.1039/c3ra41274a","","","0.71073","MoKα","","0.0819","0.0413","","","0.0863","0.1038","","","","","","1.021","","","","has coordinates","244512","2020-10-21","18:00:00",""
"7239026","7.542","0.012","18.02","0.03","19.28","0.03","90","","96.98","0.02","90","","2601","7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cl4 Fe O3 -","- C25 H21 Cl4 Fe O3 -","- C100 H84 Cl16 Fe4 O12 -","4","1","","Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan","Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts","RSC Advances","2013","3","22","8232","","10.1039/c3ra41274a","","","0.71073","MoKα","","0.2712","0.0847","","","0.15","0.1981","","","","","","1.006","","","","has coordinates","244512","2020-10-21","18:00:00",""
"7239027","7.772","0.006","19.769","0.016","17.515","0.014","90","","92.98","0.01","90","","2687","4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl4 Fe O4 -","- C26 H23 Cl4 Fe O4 -","- C104 H92 Cl16 Fe4 O16 -","4","1","","Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan","Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts","RSC Advances","2013","3","22","8232","","10.1039/c3ra41274a","","","0.71073","MoKα","","0.0981","0.0479","","","0.1068","0.1264","","","","","","0.999","","","","has coordinates","244512","2020-10-21","18:00:00",""
"7239028","10.487","0.0006","32.446","0.002","9.5526","0.0005","90","","107.715","0.004","90","","3096.3","0.3","275","2","275","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 Cl4 Fe O3 -","- C29 H25 Cl4 Fe O3 -","- C116 H100 Cl16 Fe4 O12 -","4","1","","Ye, Junwei; Zhang, Xiangdong; Deng, Dai; Ning, Guiling; Liu, Tianqing; Zhuang, Meiling; Yang, Lijian; Gong, Weitao; Lin, Yuan","Selective C‒C bond cleavage of cyclopentadiene rings assisted by ferric chloride to synthesize water-soluble pyrylium salts","RSC Advances","2013","3","22","8232","","10.1039/c3ra41274a","","","0.71073","MoKα","","0.1069","0.0584","","","0.1643","0.1943","","","","","","1.036","","","","has coordinates","244512","2020-10-21","18:00:00",""
"7239029","12.5933","0.0011","15.1264","0.0013","15.0649","0.0013","90","","111.798","0.001","90","","2664.5","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)thiophen-2-yl acetate","","- C15 H13 N O3 S -","- C15 H13 N O3 S -","- C120 H104 N8 O24 S8 -","8","2","","Patpi, Santhosh Reddy; Sridhar, Balasubramanian; Tadikamalla, Prabhakar Rao; Kantevari, Srinivas","Pd-catalyzed site selective C‒H acetoxylation of aryl/heteroaryl/thiophenyl tethered dihydroquinolinones","RSC Advances","2013","3","26","10251","","10.1039/c3ra41312h","","","0.71073","MoKα","","0.0674","0.0563","","","0.1625","0.174","","","","","","1.187","","","","has coordinates,has disorder","244513","2020-10-21","18:00:00",""
"7239030","16.2313","0.001","15.4503","0.001","8.0772","0.0005","90","","96.738","0.001","90","","2011.6","0.2","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C100 H92 N4 O12 -","4","1","","Patpi, Santhosh Reddy; Sridhar, Balasubramanian; Tadikamalla, Prabhakar Rao; Kantevari, Srinivas","Pd-catalyzed site selective C‒H acetoxylation of aryl/heteroaryl/thiophenyl tethered dihydroquinolinones","RSC Advances","2013","3","26","10251","","10.1039/c3ra41312h","","","0.71073","MoKα","","0.0439","0.0377","","","0.1021","0.1075","","","","","","1.03","","","","has coordinates","244513","2020-10-21","18:00:00",""
"7239031","25.7493","0.0014","8.1753","0.0003","21.7304","0.0012","90","","117.408","0.007","90","","4061","0.4","291","2","291.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 O -","- C28 H20 O -","- C224 H160 O8 -","8","1","","Cai, Ranran; Huang, Mengmeng; Cui, Xiuling; Zhang, Jianye; Du, Chenxia; Wu, Yusheng; Wu, Yangjie","Synthesis of cyclopentadienyl alkyl ethers via Pd-catalyzed cyclotrimerization of diarylacetylenes","RSC Advances","2013","3","32","13140","","10.1039/c3ra41326h","","","0.7107","MoKα","","0.0786","0.048","","","0.1043","0.1209","","","","","","1.026","","","","has coordinates","244514","2020-10-21","18:00:00",""
"7239032","19.936","0.0009","7.9365","0.0003","25.6157","0.0014","90","","127.958","0.003","90","","3195.6","0.3","291","2","291.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H38 O -","- C41 H35 O -","- C164 H140 O4 -","4","1","","Cai, Ranran; Huang, Mengmeng; Cui, Xiuling; Zhang, Jianye; Du, Chenxia; Wu, Yusheng; Wu, Yangjie","Synthesis of cyclopentadienyl alkyl ethers via Pd-catalyzed cyclotrimerization of diarylacetylenes","RSC Advances","2013","3","32","13140","","10.1039/c3ra41326h","","","1.5418","CuKα","","0.0951","0.0764","","","0.2249","0.2499","","","","","","1.06","","","","has coordinates,has disorder","244514","2020-10-21","18:00:00",""
"7239033","10.131","0.003","10.15","0.002","14.682","0.004","99.93","0.02","93.55","0.02","114.56","0.03","1337.5","0.7","291","2","291.15","","","","","","","","","3","P -1","-P 1","2","","","","- C36 H28 O -","- C36 H28 O -","- C72 H56 O2 -","2","1","","Cai, Ranran; Huang, Mengmeng; Cui, Xiuling; Zhang, Jianye; Du, Chenxia; Wu, Yusheng; Wu, Yangjie","Synthesis of cyclopentadienyl alkyl ethers via Pd-catalyzed cyclotrimerization of diarylacetylenes","RSC Advances","2013","3","32","13140","","10.1039/c3ra41326h","","","1.5418","CuKα","","0.0672","0.0451","","","0.1212","0.1409","","","","","","1.051","","","","has coordinates","244514","2020-10-21","18:00:00",""
"7239034","8.2474","0.0016","17.675","0.003","11.501","0.002","90","","101.32","0.03","90","","1643.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C80 H80 N8 O8 -","4","1","","Long, Lingliang; Li, Xiufen; Zhang, Dongdong; Meng, Suci; Zhang, Jinfang; Sun, Xianglan; Zhang, Chi; Zhou, Liping; Wang, Lin","Amino-coumarin based fluorescence ratiometric sensors for acidic pH and their application for living cells imaging","RSC Advances","2013","3","30","12204","","10.1039/c3ra41329b","","","0.71073","MoKα","","0.0741","0.0549","","","0.1128","0.1234","","","","","","1.105","","","","has coordinates","244515","2020-10-21","18:00:00",""
"7239035","7.6964","0.0006","9.0385","0.0009","28.1815","0.0019","90","","90","","90","","1960.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 N O5 -","- C21 H27 N O5 -","- C84 H108 N4 O20 -","4","1","","Savić, Marina P.; Djurendić, Evgenija A.; Petri, Edward T.; Ćelić, Andjelka; Klisurić, Olivera R.; Sakač, Marija N.; Jakimov, Dimitar S.; Kojić, Vesna V.; Gaši, Katarina M. Penov","Synthesis, structural analysis and antiproliferative activity of some novel D-homo lactone androstane derivatives","RSC Advances","2013","3","26","10385","","10.1039/c3ra41336e","","","1.5418","CuKα","","0.0711","0.0448","","","0.1108","0.1413","","","","","","1.028","","","","has coordinates","244516","2020-10-21","18:00:00",""
"7239036","7.6411","0.0003","8.3284","0.0004","27.4713","0.0013","90","","90","","90","","1748.22","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O5 -","- C19 H27 N O5 -","- C76 H108 N4 O20 -","4","1","","Savić, Marina P.; Djurendić, Evgenija A.; Petri, Edward T.; Ćelić, Andjelka; Klisurić, Olivera R.; Sakač, Marija N.; Jakimov, Dimitar S.; Kojić, Vesna V.; Gaši, Katarina M. Penov","Synthesis, structural analysis and antiproliferative activity of some novel D-homo lactone androstane derivatives","RSC Advances","2013","3","26","10385","","10.1039/c3ra41336e","","","0.71073","MoKα","","0.0571","0.0465","","","0.0901","0.0946","","","","","","1.075","","","","has coordinates","244516","2020-10-21","18:00:00",""
"7239037","9.0098","0.0008","11.0194","0.0011","18.008","0.002","90","","101.284","0.01","90","","1753.3","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N2 O5 -","- C20 H17 N2 O5 -","- C80 H68 N8 O20 -","4","1","","Jaiswal, Pradeep Kumar; Biswas, Soumen; Singh, Shivendra; Pathak, Biswarup; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective synthesis of highly functionalized tetrahydrocarbazoles through a domino Michael‒Henry reaction: an easy access to four contiguous chiral centers","RSC Advances","2013","3","27","10644","","10.1039/c3ra41409d","","","0.71073","MoKα","","0.1045","0.0962","","","0.244","0.2504","","","","","","1.049","","","","has coordinates","244517","2020-10-21","18:00:00",""
"7239038","8.876","0.0002","11.1516","0.0002","17.9923","0.0006","90","","104.062","0.003","90","","1727.54","0.08","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","1","","Jaiswal, Pradeep Kumar; Biswas, Soumen; Singh, Shivendra; Pathak, Biswarup; Mobin, Shaikh M.; Samanta, Sampak","Stereoselective synthesis of highly functionalized tetrahydrocarbazoles through a domino Michael‒Henry reaction: an easy access to four contiguous chiral centers","RSC Advances","2013","3","27","10644","","10.1039/c3ra41409d","","","0.71073","MoKα","","0.0888","0.0832","","","0.2457","0.2516","","","","","","1.093","","","","has coordinates","244517","2020-10-21","18:00:00",""
"7239039","9.95","0.004","13.482","0.005","17.253","0.006","90","","105.438","0.009","90","","2230.9","1.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H48 Cu N6 O8 -","- C48 H48 Cu N6 O8 -","- C96 H96 Cu2 N12 O16 -","2","1","","Samanta, Suvendu; Das, Sudipto; Samanta, Partha Kumar; Dutta, Supriya; Biswas, Papu","A mononuclear copper(ii) complex immobilized in mesoporous silica: an efficient heterogeneous catalyst for the aerobic oxidation of benzylic alcohols","RSC Advances","2013","3","42","19455","","10.1039/c3ra41417e","","","0.71073","MoKα","","0.0344","0.0303","","","0.0742","0.077","","","","","","1.027","","","","has coordinates","244518","2020-10-21","18:00:00",""
"7239040","9.469","0.003","10.956","0.003","12.77","0.004","70.023","0.004","68.5","0.004","87.844","0.004","1152.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Cu N10 S2 -","- C19 H24 Cu N10 S2 -","- C38 H48 Cu2 N20 S4 -","2","1","","Wang, Xuan; Xing, Yong Heng; Bai, Feng Ying; Wang, Xin Yu; Guan, Qing Lin; Hou, Ya Nan; Zhang, Rui; Shi, Zhan","Synthesis, structure, and surface photovoltage properties of a series of novel d7‒d10 metal complexes with pincer N-heterocycle ligands","RSC Advances","2013","3","36","16021","","10.1039/c3ra41459k","","","0.71073","MoKα","","0.0784","0.0508","","","0.1245","0.1421","","","","","","1.027","","","","has coordinates","244519","2020-10-21","18:00:00",""
"7239041","8.8512","0.0018","11.923","0.002","13.48","0.003","65.61","0.03","89.96","0.03","70.44","0.03","1205.1","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 N10 Ni S2 -","- C19 H24 N10 Ni S2 -","- C38 H48 N20 Ni2 S4 -","2","1","","Wang, Xuan; Xing, Yong Heng; Bai, Feng Ying; Wang, Xin Yu; Guan, Qing Lin; Hou, Ya Nan; Zhang, Rui; Shi, Zhan","Synthesis, structure, and surface photovoltage properties of a series of novel d7‒d10 metal complexes with pincer N-heterocycle ligands","RSC Advances","2013","3","36","16021","","10.1039/c3ra41459k","","","0.71073","MoKα","","0.0912","0.058","","","0.152","0.1675","","","","","","1.048","","","","has coordinates","244519","2020-10-21","18:00:00",""
"7239042","7.7012","0.0017","11.514","0.003","14.198","0.003","85.868","0.004","75.758","0.004","86.508","0.004","1215.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H24 Co N10 S2 -","- C19 H24 Co N10 S2 -","- C38 H48 Co2 N20 S4 -","2","1","","Wang, Xuan; Xing, Yong Heng; Bai, Feng Ying; Wang, Xin Yu; Guan, Qing Lin; Hou, Ya Nan; Zhang, Rui; Shi, Zhan","Synthesis, structure, and surface photovoltage properties of a series of novel d7‒d10 metal complexes with pincer N-heterocycle ligands","RSC Advances","2013","3","36","16021","","10.1039/c3ra41459k","","","0.71073","MoKα","","0.079","0.0554","","","0.1493","0.1591","","","","","","1.042","","","","has coordinates","244519","2020-10-21","18:00:00",""
"7239043","13.9708","0.0007","15.4535","0.0008","11.0815","0.0005","90","","106.174","0.001","90","","2297.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 N14 Ni O -","- C17 H26 N14 Ni O -","- C68 H104 N56 Ni4 O4 -","4","1","","Wang, Xuan; Xing, Yong Heng; Bai, Feng Ying; Wang, Xin Yu; Guan, Qing Lin; Hou, Ya Nan; Zhang, Rui; Shi, Zhan","Synthesis, structure, and surface photovoltage properties of a series of novel d7‒d10 metal complexes with pincer N-heterocycle ligands","RSC Advances","2013","3","36","16021","","10.1039/c3ra41459k","","","0.71073","MoKα","","0.0618","0.0515","","","0.1339","0.1464","","","","","","1.047","","","","has coordinates","244519","2020-10-21","18:00:00",""
"7239044","16.86","0.004","11.386","0.004","11.379","0.003","90","","95.365","0.007","90","","2174.8","1.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 Co N14 -","- C17 H24 Co N14 -","- C68 H96 Co4 N56 -","4","0.5","","Wang, Xuan; Xing, Yong Heng; Bai, Feng Ying; Wang, Xin Yu; Guan, Qing Lin; Hou, Ya Nan; Zhang, Rui; Shi, Zhan","Synthesis, structure, and surface photovoltage properties of a series of novel d7‒d10 metal complexes with pincer N-heterocycle ligands","RSC Advances","2013","3","36","16021","","10.1039/c3ra41459k","","","0.71073","MoKα","","0.057","0.0397","","","0.1003","0.1073","","","","","","1.002","","","","has coordinates","244519","2020-10-21","18:00:00",""
"7239045","22.219","0.0013","7.2701","0.0003","19.4157","0.0011","90","","117.964","0.007","90","","2770.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","","Lei, Shenghui","Synthetic studies towards the Lycopodium alkaloid paniculatine","RSC Advances","2013","3","27","11014","","10.1039/c3ra41467a","","","1.54184","CuKα","","0.0455","0.0436","","","0.114","0.1156","","","","","","1.033","","","","has coordinates","244520","2020-10-21","18:00:00",""
"7239046","12.8516","0.0006","9.598","0.0004","17.1017","0.0009","90","","98.929","0.005","90","","2083.92","0.17","293","2","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","","Lei, Shenghui","Synthetic studies towards the Lycopodium alkaloid paniculatine","RSC Advances","2013","3","27","11014","","10.1039/c3ra41467a","","","1.54184","CuKα","","0.0815","0.0595","","","0.1459","0.1648","","","","","","1.061","","","","has coordinates","244520","2020-10-21","18:00:00",""
"7239047","12.523","0.0003","9.641","0.0002","14.152","0.0004","90","","102.01","0.003","90","","1671.23","0.07","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H26 Cl N O3 -","- C17 H26 Cl N O3 -","- C68 H104 Cl4 N4 O12 -","4","1","","Lei, Shenghui","Synthetic studies towards the Lycopodium alkaloid paniculatine","RSC Advances","2013","3","27","11014","","10.1039/c3ra41467a","","","1.5418","CuKα","","0.0508","0.0384","","","0.0996","0.1156","","","","","","1.036","","","","has coordinates","244520","2020-10-21","18:00:00",""
"7239048","6.8754","0.0003","10.7487","0.0005","11.7991","0.0006","91.303","0.003","92.041","0.003","99.15","0.003","859.97","0.07","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H28 O -","- C20 H28 O -","- C40 H56 O2 -","2","1","","Kakde, Badrinath N.; De, Subhadip; Dey, Dhananjay; Bisai, Alakesh","Metal triflate-catalyzed cyclization of arylvinylcarbinols: formal synthesis of (±)-dichroanone and (±)-taiwaniaquinone H","RSC Advances","2013","3","22","8176","","10.1039/c3ra41497c","","","0.71073","MoKα","","0.0935","0.0724","","","0.2132","0.2331","","","","","","1.035","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7239049","8.0057","0.0015","19.331","0.004","9.6263","0.0016","90","","95.807","0.011","90","","1482.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O3 -","- C18 H22 O3 -","- C72 H88 O12 -","4","1","","Kakde, Badrinath N.; De, Subhadip; Dey, Dhananjay; Bisai, Alakesh","Metal triflate-catalyzed cyclization of arylvinylcarbinols: formal synthesis of (±)-dichroanone and (±)-taiwaniaquinone H","RSC Advances","2013","3","22","8176","","10.1039/c3ra41497c","","","0.71073","MoKα","","0.0805","0.0472","","","0.1136","0.1254","","","","","","0.975","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7239050","9.524","0.003","9.968","0.003","10.582","0.003","96.259","0.005","102.562","0.005","90.735","0.005","974","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H27 N3 O4 -","- C19 H27 N3 O4 -","- C38 H54 N6 O8 -","2","1","","Joseph, Nayana; Rajan, Rani; John, Jubi; Devika, N. V.; Chand, S. Sarath; Suresh, E.; Pihko, Petri M.; Radhakrishnan, K. V.","An exclusive approach to 3,4-disubstituted cyclopentenes and alkylidene cyclopentenes via the palladium catalyzed ring opening of azabicyclic olefins with aryl halides","RSC Advances","2013","3","21","7751","","10.1039/c3ra41504j","","","0.71073","MoKα","","0.0925","0.0783","","","0.1668","0.175","","","","","","1.182","","","","has coordinates","244522","2020-10-21","18:00:00",""
"7239051","7.8668","0.0002","15.1461","0.0003","15.4604","0.0004","77.883","0.001","89.983","0.001","78","0.001","1759.92","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","4-(4-Bromophenyl)-6-(methylamino)-5-nitro-2-phenyl- 4H-pyran-3-carbonitrile","","- C19 H14 Br N3 O3 -","- C19 H14 Br N3 O3 -","- C76 H56 Br4 N12 O12 -","4","2","","Sivakumar, Sathiyamoorthi; Kanchithalaivan, Selvaraj; Kumar, Raju Ranjith","A one-pot three-component domino protocol for the synthesis of penta-substituted 4H-pyrans","RSC Advances","2013","3","32","13357","","10.1039/c3ra41510d","","","0.71073","MoKα","","0.0864","0.0479","","","0.1119","0.1288","","","","","","1.019","","","","has coordinates","244523","2020-10-21","18:00:00",""
"7239052","6.77744","0.00012","14.074","0.0003","19.0348","0.0004","90","","90","","90","","1815.65","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 O3 -","- C20 H30 O3 -","- C80 H120 O12 -","4","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar; Reddy, P. Srinivasa","Direct organocatalytic stereoselective transfer hydrogenation of conjugated olefins of steroids","RSC Advances","2013","3","32","13497","","10.1039/c3ra41519h","","","1.5418","CuKα","","0.0499","0.0466","","","0.1301","0.1336","","","","","","1.061","","","","has coordinates","244524","2020-10-21","18:00:00",""
"7239053","7.9253","0.0018","8.4074","0.0017","25.074","0.005","90","","90","","90","","1670.7","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H28 O2 -","- C19 H28 O2 -","- C76 H112 O8 -","4","1","","Ramachary, Dhevalapally B.; Sakthidevi, Rajasekar; Reddy, P. Srinivasa","Direct organocatalytic stereoselective transfer hydrogenation of conjugated olefins of steroids","RSC Advances","2013","3","32","13497","","10.1039/c3ra41519h","","","0.71073","MoKα","","0.0877","0.0588","","","0.1188","0.1356","","","","","","1.024","","","","has coordinates","244524","2020-10-21","18:00:00",""
"7239054","11.9651","0.0006","19.467","0.0012","12.9495","0.0007","90","","91.992","0.002","90","","3014.4","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H92 Ce2 Cl2 O20 Ti4 -","- C36 H92 Ce2 Cl2 O20 Ti4 -","- C72 H184 Ce4 Cl4 O40 Ti8 -","2","0.5","","Lv, Yaokang; Yao, Mingming; Holgado, Juan Pedro; Roth, Torsten; Steiner, Alexander; Gan, Lihua; Lambert, Richard M.; Wright, Dominic S.","A low-temperature single-source route to an efficient broad-band cerium(iii) photocatalyst using a bimetallic polyoxotitanium cage","RSC Advances","2013","3","33","13659","","10.1039/c3ra41524d","","","0.71073","MoKα","","0.0439","0.0319","","","0.0749","0.0828","","","","","","0.991","","","","has coordinates","244525","2020-10-21","18:00:00",""
"7239055","15.63","0.004","23.318","0.005","20.732","0.005","90","","93.994","0.007","90","","7538","3","199","2","199","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H110 Ce O29 Ti8 -","- C44 H110 Ce O29 Ti8 -","- C176 H440 Ce4 O116 Ti32 -","4","0.5","","Lv, Yaokang; Yao, Mingming; Holgado, Juan Pedro; Roth, Torsten; Steiner, Alexander; Gan, Lihua; Lambert, Richard M.; Wright, Dominic S.","A low-temperature single-source route to an efficient broad-band cerium(iii) photocatalyst using a bimetallic polyoxotitanium cage","RSC Advances","2013","3","33","13659","","10.1039/c3ra41524d","","","0.71073","MoKα","","0.0671","0.0462","","","0.1137","0.1305","","","","","","1.037","","","","has coordinates,has disorder","244525","2020-10-21","18:00:00",""
"7239056","8.8513","0.0005","16.517","0.0009","11.4378","0.0006","90","","94.84","0.001","90","","1666.21","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N3 O2 S -","- C18 H21 N3 O2 S -","- C72 H84 N12 O8 S4 -","4","1","","Chen, Li-Hsun; Chuang, Ying-Sheng; Narhe, Bharat D.; Sun, Chung-Ming","A concise synthesis of 2-(2-aminothiophene)-benzimidazoles by one-pot multicomponent reaction","RSC Advances","2013","3","33","13934","","10.1039/c3ra41545g","","","0.71073","MoKα","","0.0402","0.0319","","","0.0783","0.083","","","","","","1.036","","","","has coordinates","244526","2020-10-21","18:00:00",""
"7239057","21.059","0.003","11.2828","0.0016","15.679","0.002","90","","95.888","0.002","90","","3705.7","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(4Z)-4-(2-(imidazolidin-2-ylidene)-3-oxo-3-phenylpropylidene) -3-methyl-1-phenyl-1H-pyrazol-5(4H)-one","","- C22 H20 N4 O2 -","- C22 H20 N4 O2 -","- C176 H160 N32 O16 -","8","2","","Yu, Fuchao; Chen, Zhiqiong; Hao, Xiaopan; Jiang, Xiuyang; Yan, Shengjiao; Lin, Jun","Three component solvent-free synthesis of 1H-pyrazol-5(4H)-one-based heterocyclic ketene aminal derivatives","RSC Advances","2013","3","32","13183","","10.1039/c3ra41547c","","","0.71073","MoKα","","0.1247","0.0525","","","0.1139","0.1373","","","","","","0.907","","","","has coordinates","244527","2020-10-21","18:00:00",""
"7239058","12.774","0.005","19.299","0.005","11.056","0.005","90","","98.752","0.005","90","","2693.8","1.8","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C16 H25 Cu4 N12 O41 P W12 -","- C16 H24 Cu4 N12 O41 P W12 -","- C32 H48 Cu8 N24 O82 P2 W24 -","2","0.25","","Tian, AiXiang; Lin, XiaoLing; Liu, XiaoJing; Ying, Jun; Wang, XiuLi","Hydroxyl- and chloro-bridges as “structural assistants” in the construction of two new Keggin-based 3D frameworks","RSC Advances","2013","3","38","17188","","10.1039/c3ra41567h","","","0.71069","MoKα","","0.0463","0.0378","","","0.1048","0.1108","","","","","","0.985","","","","has coordinates","244528","2020-10-21","18:00:00",""
"7239059","12.067","0.005","15.262","0.005","20.31","0.005","96.457","0.005","95.796","0.005","90.465","0.005","3697","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H54 Cl Cu2 N24 O43 P W12 -","- C32 H48 Cl Cu2 N24 O43 P W12 -","- C64 H96 Cl2 Cu4 N48 O86 P2 W24 -","2","1","","Tian, AiXiang; Lin, XiaoLing; Liu, XiaoJing; Ying, Jun; Wang, XiuLi","Hydroxyl- and chloro-bridges as “structural assistants” in the construction of two new Keggin-based 3D frameworks","RSC Advances","2013","3","38","17188","","10.1039/c3ra41567h","","","0.71069","MoKα","","0.104","0.0763","","","0.1572","0.1705","","","","","","1.093","","","","has coordinates,has disorder","244528","2020-10-21","18:00:00",""
"7239060","9.88","0.0005","22.9781","0.0015","6.1558","0.0004","90","","90","","90","","1397.51","0.15","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 N2 O2 S -","- C16 H12 N2 O2 S -","- C64 H48 N8 O8 S4 -","4","1","","Tiwari, Karishma; Mishra, Monika; Singh, Vinod P.","A highly sensitive and selective fluorescent sensor for Al3+ ions based on thiophene-2-carboxylic acid hydrazide Schiff base","RSC Advances","2013","3","30","12124","","10.1039/c3ra41573b","","","0.71073","MoKα","","0.0619","0.0439","","","0.0852","0.0963","","","","","","1.065","","","","has coordinates","244529","2020-10-21","18:00:00",""
"7239061","4.9215","0.0007","13.8042","0.0018","26.079","0.003","90","","90","","90","","1771.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 Br N2 O3 -","- C19 H21 Br N2 O3 -","- C76 H84 Br4 N8 O12 -","4","1","","Maurya, Hardesh K.; Vasudev, Prema G.; Gupta, Atul","A regioselective synthesis of 2,6-diarylpyridines","RSC Advances","2013","3","31","12955","","10.1039/c3ra41575a","","","0.71073","MoKα","","0.0244","0.0224","","","0.0573","0.0583","","","","","","0.806","","","","has coordinates","244530","2020-10-21","18:00:00",""
"7239062","13.228","0.003","12.583","0.003","26.182","0.008","90","","108.3","0.03","90","","4138","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 F9 Nd O14 -","- C40 H36 F9 Nd O14 -","- C160 H144 F36 Nd4 O56 -","4","1","","Li, Weizuo; Yan, Pengfei; Hou, Guangfeng; Li, Hongfeng; Li, Guangming","Near-infrared luminescent hybrid materials ‒ PMMA doped with a neodymium complex: synthesis, structure and photophysical properties","RSC Advances","2013","3","39","18173","","10.1039/c3ra41594e","","","0.71073","MoKα","","0.076","0.0508","","","0.1124","0.1248","","","","","","1.065","","","","has coordinates","244531","2020-10-21","18:00:00",""
"7239063","11.777","0.002","12.332","0.003","18.168","0.004","78.47","0.03","88.87","0.03","70.05","0.03","2426.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Cl4 F9 O15 Yb -","- C41 H40 Cl4 F9 O15 Yb -","- C82 H80 Cl8 F18 O30 Yb2 -","2","1","","Li, Weizuo; Yan, Pengfei; Hou, Guangfeng; Li, Hongfeng; Li, Guangming","Near-infrared luminescent hybrid materials ‒ PMMA doped with a neodymium complex: synthesis, structure and photophysical properties","RSC Advances","2013","3","39","18173","","10.1039/c3ra41594e","","","0.71073","MoKα","","0.0765","0.0564","","","0.1425","0.1592","","","","","","1.035","","","","has coordinates","244531","2020-10-21","18:00:00",""
"7239064","13.3522","0.0005","19.6431","0.0009","19.7333","0.0005","90","","106.942","0.003","90","","4951","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H38 F9 N2 Nd O12 -","- C51 H38 F9 N2 Nd O12 -","- C204 H152 F36 N8 Nd4 O48 -","4","1","","Li, Weizuo; Yan, Pengfei; Hou, Guangfeng; Li, Hongfeng; Li, Guangming","Near-infrared luminescent hybrid materials ‒ PMMA doped with a neodymium complex: synthesis, structure and photophysical properties","RSC Advances","2013","3","39","18173","","10.1039/c3ra41594e","","","0.71073","MoKα","","0.1091","0.0575","","","0.1113","0.1324","","","","","","1.033","","","","has coordinates","244531","2020-10-21","18:00:00",""
"7239065","8.4438","0.0006","11.4961","0.0008","13.5973","0.0009","103.513","0.006","96.609","0.006","95.597","0.006","1264.21","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 F3 O4 -","- C13 H11 F3 O4 -","- C52 H44 F12 O16 -","4","2","","Li, Weizuo; Yan, Pengfei; Hou, Guangfeng; Li, Hongfeng; Li, Guangming","Near-infrared luminescent hybrid materials ‒ PMMA doped with a neodymium complex: synthesis, structure and photophysical properties","RSC Advances","2013","3","39","18173","","10.1039/c3ra41594e","","","0.71073","MoKα","","0.0702","0.0458","","","0.1033","0.1194","","","","","","1.022","","","","has coordinates,has disorder","244531","2020-10-21","18:00:00",""
"7239069","8.1895","0.0002","8.5987","0.0003","16.7988","0.0005","92.215","0.002","102.812","0.002","105.961","0.002","1102.75","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 N8 Ni O2 S4 -","- C46 H50 N8 Ni O2 S4 -","- C46 H50 N8 Ni O2 S4 -","1","0.5","","Yang, Xiong-Bo; Zhou, Li; Huang, Long-Biao; Xu, Jia-Ju; Zhou, Ye; Han, Su-Ting; Xu, Zong-Xiang; Lau, Victor C. Y.; Hon-Wah Lam, Micheal; Wong, Wai-Yeung; Roy, V. A. L.","Importance of alkyl chain-length on the self-assembly of new Ni(qdt)2 complexes and charge transport properties","RSC Advances","2013","3","30","12075","","10.1039/c3ra41633j","","","1.54178","CuKα","","0.0435","0.042","","","0.1202","0.1217","","","","","","1.05","","","","has coordinates,has disorder","244534","2020-10-21","18:00:00",""
"7239070","14.8356","0.0002","10.8116","0.0002","13.3564","0.0002","90","","93.711","0.001","90","","2137.83","0.06","133","2","133","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 N8 Ni S4 -","- C48 H50 N8 Ni S4 -","- C96 H100 N16 Ni2 S8 -","2","0.5","","Yang, Xiong-Bo; Zhou, Li; Huang, Long-Biao; Xu, Jia-Ju; Zhou, Ye; Han, Su-Ting; Xu, Zong-Xiang; Lau, Victor C. Y.; Hon-Wah Lam, Micheal; Wong, Wai-Yeung; Roy, V. A. L.","Importance of alkyl chain-length on the self-assembly of new Ni(qdt)2 complexes and charge transport properties","RSC Advances","2013","3","30","12075","","10.1039/c3ra41633j","","","1.5418","CuKα","","0.0267","0.0257","","","0.0701","0.0707","","","","","","1.062","","","","has coordinates","244534","2020-10-21","18:00:00",""
"7239071","15.263","0.0003","9.2809","0.0002","16.8903","0.0003","90","","93.097","0.002","90","","2389.09","0.08","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 N8 Ni O2 S4 -","- C50 H58 N8 Ni O2 S4 -","- C100 H116 N16 Ni2 O4 S8 -","2","0.5","","Yang, Xiong-Bo; Zhou, Li; Huang, Long-Biao; Xu, Jia-Ju; Zhou, Ye; Han, Su-Ting; Xu, Zong-Xiang; Lau, Victor C. Y.; Hon-Wah Lam, Micheal; Wong, Wai-Yeung; Roy, V. A. L.","Importance of alkyl chain-length on the self-assembly of new Ni(qdt)2 complexes and charge transport properties","RSC Advances","2013","3","30","12075","","10.1039/c3ra41633j","","","1.54184","CUKα","","0.0318","0.0307","","","0.0849","0.0859","","","","","","1.033","","","","has coordinates","244534","2020-10-21","18:00:00",""
"7239072","5.6282","0.0009","9.0457","0.0014","22.768","0.004","90","","90","","90","","1159.1","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Br N3 O -","- C11 H10 Br N3 O -","- C44 H40 Br4 N12 O4 -","4","1","","Li, Nai-Kai; Liu, Zhao-Min; Huang, Xiao-Fei; Zhang, Jin-Xin; Chen, Xiang; Wang, Yong; Wang, Xing-Wang","Enantioselective Strecker-type reaction between azomethine imines and trimethylsilyl cyanide catalyzed by a cinchona alkaloid-derived thiourea bearing multiple hydrogen-bonding donors","RSC Advances","2013","3","24","9154","","10.1039/c3ra41640b","","","0.71073","MoKα","","0.0557","0.0462","","","0.1173","0.122","","","","","","1.063","","","","has coordinates","244535","2020-10-21","18:00:00",""
"7239073","5.5927","0.001","9.9073","0.0017","11.448","0.002","113.882","0.004","91.874","0.004","99.063","0.004","569.49","0.17","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C11 H10 Br N3 O -","- C11 H10 Br N3 O -","- C22 H20 Br2 N6 O2 -","2","2","","Li, Nai-Kai; Liu, Zhao-Min; Huang, Xiao-Fei; Zhang, Jin-Xin; Chen, Xiang; Wang, Yong; Wang, Xing-Wang","Enantioselective Strecker-type reaction between azomethine imines and trimethylsilyl cyanide catalyzed by a cinchona alkaloid-derived thiourea bearing multiple hydrogen-bonding donors","RSC Advances","2013","3","24","9154","","10.1039/c3ra41640b","","","0.71073","MoKα","","0.0523","0.0355","","","0.0814","0.088","","","","","","0.947","","","","has coordinates,has disorder","244535","2020-10-21","18:00:00",""
"7239074","16.4103","0.0006","10.588","0.0004","16.0074","0.0006","90","","94.814","0.002","90","","2771.51","0.18","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 N2 -","- C40 H26 N2 -","- C160 H104 N8 -","4","1","","Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir","Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications","RSC Advances","2013","3","24","9381","","10.1039/c3ra41642a","","","0.71073","MoKα","","0.0591","0.042","","","0.1066","0.1184","","","","","","0.908","","","","has coordinates","244536","2020-10-21","18:00:00",""
"7239075","33.6125","0.0006","8.5624","0.0002","26.3251","0.0006","90","","116.544","0.001","90","","6777.8","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 N2 -","- C46 H30 N2 -","- C368 H240 N16 -","8","1","","Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir","Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications","RSC Advances","2013","3","24","9381","","10.1039/c3ra41642a","","","0.71073","MoKα","","0.0794","0.0621","","","0.1961","0.2167","","","","","","0.86","","","","has coordinates","244536","2020-10-21","18:00:00",""
"7239076","10.7889","0.0003","19.9049","0.0005","17.5852","0.0005","90","","106.621","0.001","90","","3618.67","0.17","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C52 H35 N3 -","- C52 H35 N3 -","- C208 H140 N12 -","4","1","","Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir","Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications","RSC Advances","2013","3","24","9381","","10.1039/c3ra41642a","","","0.71073","MoKα","","0.1304","0.0643","","","0.169","0.2234","","","","","","1.095","","","","has coordinates","244536","2020-10-21","18:00:00",""
"7239077","10.7569","0.0003","13.6042","0.0003","16.642","0.0004","106.93","0.002","104.183","0.002","90.917","0.002","2248.77","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H39 N3 -","- C58 H39 N3 -","- C116 H78 N6 -","2","1","","Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir","Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications","RSC Advances","2013","3","24","9381","","10.1039/c3ra41642a","","","0.71073","MoKα","","0.0736","0.0485","","","0.1486","0.1723","","","","","","0.687","","","","has coordinates","244536","2020-10-21","18:00:00",""
"7239078","13.1698","0.0003","14.2017","0.0003","25.4887","0.0005","100.776","0.002","96.286","0.001","94.685","0.002","4629.48","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H55 B N -","- C57 H48 B N -","- C228 H192 B4 N4 -","4","2","","Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir","Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications","RSC Advances","2013","3","24","9381","","10.1039/c3ra41642a","","","0.71073","MoKα","","0.2158","0.0719","","","0.1659","0.1993","","","","","","0.805","","","","has coordinates","244536","2020-10-21","18:00:00",""
"7239079","10.703","0.0012","13.3547","0.0015","14.8791","0.0013","92.18","0.003","90.261","0.003","109.366","0.003","2004.6","0.4","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H39 Cl2 N -","- C54 H39 Cl2 N -","- C108 H78 Cl4 N2 -","2","1","","Chen, Chien-Tien; Chao, Wei-Shan; Liu, Hao-Wei; Wei, Yi; Jou, Jwo-Huei; Kumar, Sudhir","Spirally configured cis-stilbene/fluorene hybrids as ambipolar, fluorescent materials for organic light emitting diode applications","RSC Advances","2013","3","24","9381","","10.1039/c3ra41642a","","","0.71073","MoKα","","0.0557","0.0435","","","0.1235","0.1372","","","","","","1.076","","","","has coordinates","244536","2020-10-21","18:00:00",""
"7239080","20.791","0.011","5.874","0.003","11.646","0.006","90","","90","","90","","1422.3","1.3","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C17 H16 Fe N2 O -","- C17 H16 Fe N2 O -","- C68 H64 Fe4 N8 O4 -","4","1","","Kashyap, Bishwapran; Phukan, Prodeep","A new ferrocene-based bulky pyridine as an efficient reusable homogeneous catalyst","RSC Advances","2013","3","35","15327","","10.1039/c3ra41674g","","","0.71073","MoKα","","0.0358","0.0335","","","0.0733","0.0742","","","","","","1.1","","","","has coordinates","244537","2020-10-21","18:00:00",""
"7239081","28.447","0.009","6.2758","0.0019","12.914","0.004","90","","116.647","0.007","90","","2060.6","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Fe N4 O2 -","- C24 H22 Fe N4 O2 -","- C96 H88 Fe4 N16 O8 -","4","0.5","","Kashyap, Bishwapran; Phukan, Prodeep","A new ferrocene-based bulky pyridine as an efficient reusable homogeneous catalyst","RSC Advances","2013","3","35","15327","","10.1039/c3ra41674g","","","0.71073","MoKα","","0.0388","0.0366","","","0.0946","0.0965","","","","","","1.118","","","","has coordinates","244537","2020-10-21","18:00:00",""
"7239082","5.9746","0.0003","17.1181","0.0011","25.5543","0.0015","90","","90","","90","","2613.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 F6 N O3 -","- C28 H29 F6 N O3 -","- C112 H116 F24 N4 O12 -","4","1","","Romanski, Jan; Nowak, Piotr; Maksymiuk, Anna; Chapuis, Christian; Jurczak, Janusz","Diastereoselective 1,3-dipolar cycloadditions of both electronically modified phenyl-nitrile oxides and stilbenes","RSC Advances","2013","3","45","23105","","10.1039/c3ra41718b","","","0.71073","MoKα","","0.0442","0.0394","","","0.1185","0.1247","","","","","","1.051","","","","has coordinates","244538","2020-10-21","18:00:00",""
"7239083","9.0578","0.0003","17.9136","0.0007","10.2169","0.0004","90","","113.597","0.002","90","","1519.16","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H47 N O5 -","- C32 H47 N O5 -","- C64 H94 N2 O10 -","2","1","","Romanski, Jan; Nowak, Piotr; Maksymiuk, Anna; Chapuis, Christian; Jurczak, Janusz","Diastereoselective 1,3-dipolar cycloadditions of both electronically modified phenyl-nitrile oxides and stilbenes","RSC Advances","2013","3","45","23105","","10.1039/c3ra41718b","","","0.71073","MoKα","","0.0452","0.0405","","","0.1096","0.1136","","","","","","1.042","","","","has coordinates","244538","2020-10-21","18:00:00",""
"7239084","16.705","0.002","21.458","0.002","12.8736","0.0009","90","","99.698","0.009","90","","4548.7","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Br N3 O2 S -","- C26 H20 Br N3 O2 S -","- C208 H160 Br8 N24 O16 S8 -","8","2","","Postolachi, Rodica; Danac, Ramona; Buurma, Niklaas J.; Pui, Aurel; Balan, Mihaela; Shova, Sergiu; Deleanu, Calin","New cycloimmonium ylide ligands and their palladium(ii) affinities","RSC Advances","2013","3","38","17260","","10.1039/c3ra41911h","","","0.7107","MoKα","","0.3011","0.0868","","","0.0991","0.149","","","","","","0.834","","","","has coordinates","244539","2020-10-21","18:00:00",""
"7239085","17.4912","0.0006","12.3477","0.0004","23.7674","0.0008","90","","93.302","0.001","90","","5124.7","0.3","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C60 H42 Cl6 N4 -","- C60 H42 Cl6 N4 -","- C240 H168 Cl24 N16 -","4","0.5","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.0763","0.0685","","","0.1881","0.1949","","","","","","1.059","","","","has coordinates,has disorder","244540","2020-10-21","18:00:00",""
"7239086","24.8385","0.0006","11.3087","0.0002","12.6953","0.0003","90","","112.668","0.001","90","","3290.54","0.13","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H25 Cl3 O2 -","- C45 H25 Cl3 O2 -","- C180 H100 Cl12 O8 -","4","0.5","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.0607","0.0584","","","0.1496","0.1529","","","","","","1.07","","","","has coordinates,has disorder","244540","2020-10-21","18:00:00",""
"7239087","11.4108","0.0003","11.8461","0.0003","13.6538","0.0003","83.843","0.001","66.38","0.001","84.23","0.001","1677.9","0.07","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H25 Cl3 O2 -","- C45 H25 Cl3 O2 -","- C90 H50 Cl6 O4 -","2","1","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.0611","0.047","","","0.1227","0.1352","","","","","","1.055","","","","has coordinates,has disorder","244540","2020-10-21","18:00:00",""
"7239088","10.2853","0.0003","12.1795","0.0004","14.7576","0.0005","90","","106.415","0.001","90","","1773.33","0.1","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H40 O2 -","- C52 H40 O2 -","- C104 H80 O4 -","2","0.5","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.0716","0.0668","","","0.1822","0.1868","","","","","","1.06","","","","has coordinates","244540","2020-10-21","18:00:00",""
"7239089","24.018","0.003","10.21","0.0014","22.028","0.003","90","","90.352","0.002","90","","5401.7","1.2","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C67 H53 Cl9 -","- C67 H53 Cl9 -","- C268 H212 Cl36 -","4","1","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71073","MoKα","","0.1651","0.0774","","","0.1927","0.2429","","","","","","1.015","","","","has coordinates","244540","2020-10-21","18:00:00",""
"7239090","24.6901","0.0005","21.1291","0.0005","17.5492","0.0004","90","","130.453","0.001","90","","6966.4","0.3","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 Cl12 F12 -","- C72 H50 Cl12 F12 -","- C288 H200 Cl48 F48 -","4","0.5","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.0854","0.0693","","","0.2002","0.2151","","","","","","1.064","","","","has coordinates,has disorder","244540","2020-10-21","18:00:00",""
"7239091","11.1984","0.0005","11.3073","0.0005","16.8154","0.0007","73.809","0.001","86.841","0.001","75.504","0.001","1979.43","0.15","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H52 O -","- C56 H52 O -","- C112 H104 O2 -","2","1","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.0902","0.0697","","","0.2024","0.2343","","","","","","1.055","","","","has coordinates,has disorder","244540","2020-10-21","18:00:00",""
"7239092","41.93","0.004","15.3835","0.0014","18.8623","0.0018","90","","102.912","0.001","90","","11859.1","1.9","90","2","90","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53.33 H40 Br2 Cl1.74 O0.75 -","- C53.3333 H40 Br2 Cl1.746 O0.751333 -","- C640 H480 Br24 Cl20.952 O9.016 -","12","1.5","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71073","MoKα","","0.1482","0.0994","","","0.279","0.3153","","","","","","1.04","","","","has coordinates,has disorder","244540","2020-10-21","18:00:00",""
"7239093","13.271","0.01","30.35","0.02","12.823","0.01","90","","121.152","0.011","90","","4420","6","103","2","103","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C60 H30 F12 -","- C60 H30 F12 -","- C240 H120 F48 -","4","0.5","","Tanaka, Kazuki; Aratani, Naoki; Kuzuhara, Daiki; Sakamoto, Sadaaki; Okujima, Tetsuo; Ono, Noboru; Uno, Hidemitsu; Yamada, Hiroko","A soluble bispentacenequinone precursor for creation of directly 6,6′-linked bispentacenes and a tetracyanobipentacenequinodimethane","RSC Advances","2013","3","35","15310","","10.1039/c3ra41914b","","","0.71075","MoKα","","0.2213","0.1051","","","0.2478","0.3304","","","","","","1.035","","","","has coordinates,has disorder","244540","2020-10-21","18:00:00",""
"7239094","6.6655","0.0008","21.962","0.002","32.777","0.004","90","","90","","90","","4798.2","0.9","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C35 H23 N -","- C35 H23 N -","- C280 H184 N8 -","8","1","","Bej, Ansuman; Chakraborty, Amarnath; Sarkar, Amitabha","Solvent free, phosphine free Pd-catalyzed annulations of aryl bromides with diarylacetylenes","RSC Advances","2013","3","36","15812","","10.1039/c3ra41924j","","","0.71073","MoKα","","0.058","0.0453","","","0.1389","0.1479","","","","","","1.102","","","","has coordinates","244541","2020-10-21","18:00:00",""
"7239095","8.242","0.004","15.9","0.008","18.948","0.01","90","","90","","90","","2483","2","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C35 H24 O -","- C35 H24 O -","- C140 H96 O4 -","4","1","","Bej, Ansuman; Chakraborty, Amarnath; Sarkar, Amitabha","Solvent free, phosphine free Pd-catalyzed annulations of aryl bromides with diarylacetylenes","RSC Advances","2013","3","36","15812","","10.1039/c3ra41924j","","","0.71073","MoKα","","0.0538","0.0468","","","0.1137","0.1213","","","","","","0.504","","","","has coordinates","244541","2020-10-21","18:00:00",""
"7239096","7.6535","0.0009","11.5648","0.0014","13.8466","0.0017","67.639","0.003","84.037","0.004","81.169","0.004","1118.6","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H30 S2 -","- C27 H30 S2 -","- C54 H60 S4 -","2","1","","Xiong, Xiaoli; Liu, Qiancai; Zhang, Jun; Zhu, Min; Wang, Yanmei; Deng, Shiming","A facile synthesis of dithieno[3,2-b:6,7-b]fluorenes via a tandem annulation‒reduction","RSC Advances","2013","3","39","17707","","10.1039/c3ra41927d","","","0.71073","MoKα","","0.0492","0.0357","","","0.0908","0.1006","","","","","","1.027","","","","has coordinates","244542","2020-10-21","18:00:00",""
"7239097","10.5092","0.0014","11.2202","0.0016","11.4916","0.0016","115.706","0.014","94.335","0.011","113.346","0.013","1069.6","0.4","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H27 N O7 -","- C23 H27 N O7 -","- C46 H54 N2 O14 -","2","1","","Cherepanova, Maria; Kiss, Loránd; Sillanpää, Reijo; Fülöp, Ferenc","Synthesis of novel functionalized cispentacins through C‒C oxidative cleavage of diendo-norbornene β-amino acid","RSC Advances","2013","3","25","9757","","10.1039/c3ra41963k","","","1.54184","CuKα","","0.0384","0.0348","","","0.0899","0.0937","","","","","","1.045","","","","has coordinates","244543","2020-10-21","18:00:00",""
"7239098","9.6417","0.0006","15.1369","0.0011","16.1772","0.0011","90","","97.283","0.003","90","","2341.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(butyryloxy) methyl 2-methyl-4-(4-methylpiperazin-1-yl)-4H-benzo[b]thieno[2,3-e][1,4]diazepine-5-carboxylate","","- C23 H28 N4 O4 S -","- C23 H28 N4 O4 S -","- C92 H112 N16 O16 S4 -","4","1","","Blumberg, Laura C.; Zeidan, Tarek A.; Maddaford, Adrian; Warren, Nicole C.; Hutchison, Panee","Novel N-5-(acyloxyalkoxy)carbonyl prodrugs of olanzapine with physicochemical properties for extended-release","RSC Advances","2013","3","37","16270","","10.1039/c3ra41967c","","","1.54178","CuKα","","0.034","0.0317","","","0.0841","0.0856","","","","","","1.024","","","","has coordinates","244545","2020-10-21","18:00:00",""
"7239099","14.43","0.0015","14.9488","0.0015","16.224","0.0014","90","","92.753","0.007","90","","3495.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(hexanoyloxy) methyl 2-methyl-4-(4-methylpiperazin-1-yl)-5H-benzo[b]thieno[2,3-e][1,4]diazepine-5-\ carboxylate","","- C35 H52 N4 O4 S -","- C35 H52 N4 O4 S -","- C140 H208 N16 O16 S4 -","4","1","","Blumberg, Laura C.; Zeidan, Tarek A.; Maddaford, Adrian; Warren, Nicole C.; Hutchison, Panee","Novel N-5-(acyloxyalkoxy)carbonyl prodrugs of olanzapine with physicochemical properties for extended-release","RSC Advances","2013","3","37","16270","","10.1039/c3ra41967c","","","1.54178","CuKα","","0.0472","0.037","","","0.0946","0.1007","","","","","","1.06","","","","has coordinates","244545","2020-10-21","18:00:00",""
"7239100","10.5728","0.0002","14.8243","0.0003","16.8046","0.0003","90","","104.795","0.001","90","","2546.53","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(palmitoyloxy) methyl 2-methyl-4-(4-methylpiperazin-1-yl)-4H-benzo[b]thieno[2,3-e][1,4]diazepine-5-carboxylate","","- C25 H32 N4 O4 S -","- C25 H32 N4 O4 S -","- C100 H128 N16 O16 S4 -","4","1","","Blumberg, Laura C.; Zeidan, Tarek A.; Maddaford, Adrian; Warren, Nicole C.; Hutchison, Panee","Novel N-5-(acyloxyalkoxy)carbonyl prodrugs of olanzapine with physicochemical properties for extended-release","RSC Advances","2013","3","37","16270","","10.1039/c3ra41967c","","","1.54178","CuKα","","0.0744","0.0505","","","0.1325","0.1497","","","","","","1.02","","","","has coordinates","244545","2020-10-21","18:00:00",""
"7239101","8.5996","0.0013","14.555","0.002","20.633","0.003","90","","90","","90","","2582.6","0.6","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C128 H104 N24 O8 -","8","1","","Duan, Fujun; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Hu, Yuefei; Wu, Huayue","Copper-catalyzed sequential arylation and intramolecular annulation of 2-(2-bromophenyl)-2,3-dihydroquinazolin-4(1H)-ones with amidines","RSC Advances","2013","3","46","24001","","10.1039/c3ra41969j","","","0.71073","MoKα","","0.1025","0.0511","","","0.1391","0.1744","","","","","","1.009","","","","has coordinates","244546","2020-10-21","18:00:00",""
"7239102","9.666","0.01","10.849","0.011","15.997","0.016","90","","100.738","0.019","90","","1648","3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N4 O -","- C19 H22 N4 O -","- C76 H88 N16 O4 -","4","1","","Duan, Fujun; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Hu, Yuefei; Wu, Huayue","Copper-catalyzed sequential arylation and intramolecular annulation of 2-(2-bromophenyl)-2,3-dihydroquinazolin-4(1H)-ones with amidines","RSC Advances","2013","3","46","24001","","10.1039/c3ra41969j","","","0.71073","MoKα","","0.0896","0.0566","","","0.1773","0.2063","","","","","","1.101","","","","has coordinates","244546","2020-10-21","18:00:00",""
"7239103","5.2403","0.0004","16.3094","0.0012","17.842","0.0013","90","","94.921","0.001","90","","1519.3","0.2","298","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N3 O2 -","- C19 H17 N3 O2 -","- C76 H68 N12 O8 -","4","1","","Duan, Fujun; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Hu, Yuefei; Wu, Huayue","Copper-catalyzed sequential arylation and intramolecular annulation of 2-(2-bromophenyl)-2,3-dihydroquinazolin-4(1H)-ones with amidines","RSC Advances","2013","3","46","24001","","10.1039/c3ra41969j","","","0.71073","MoKα","","0.0416","0.0357","","","0.1027","0.1073","","","","","","1.077","","","","has coordinates","244546","2020-10-21","18:00:00",""
"7239104","11.692","0.004","11.309","0.004","17.125","0.006","90","","91.039","0.008","90","","2264","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 N4 O2 -","- C25 H26 N4 O2 -","- C100 H104 N16 O8 -","4","1","","Duan, Fujun; Liu, Miaochang; Chen, Jiuxi; Ding, Jinchang; Hu, Yuefei; Wu, Huayue","Copper-catalyzed sequential arylation and intramolecular annulation of 2-(2-bromophenyl)-2,3-dihydroquinazolin-4(1H)-ones with amidines","RSC Advances","2013","3","46","24001","","10.1039/c3ra41969j","","","0.71073","MoKα","","0.1318","0.0729","","","0.2025","0.2386","","","","","","1.042","","","","has coordinates","244546","2020-10-21","18:00:00",""
"7239105","8.934","0.0018","9.905","0.002","19.041","0.004","90.35","0.03","102.43","0.03","100.88","0.03","1614","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H32 N P2 S2 -","- C39 H26 N P2 S2 -","- C78 H52 N2 P4 S4 -","2","1","","Garau, Alessandra; Caboni, Pierluigi; Caltagirone, Claudia; Demartin, Francesco; Isaia, Francesco; Lippolis, Vito","A highly selective off‒on fluorescent chemodosimeter for Hg2+ based on a anthracene‒bis(phosphinesulfide) conjugate","RSC Advances","2013","3","30","12149","","10.1039/c3ra42005a","","","0.71073","MoKα","","0.0955","0.0463","","","0.0881","0.1029","","","","","","0.852","","","","has coordinates","244547","2020-10-21","18:00:00",""
"7239106","10.7619","0.0005","7.9318","0.0004","19.9964","0.001","90","","96.129","0.004","90","","1697.16","0.14","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6-nitro-2-(2-nitro-phenyl)-4-phenyl-quinazoline","","","- C20 H12 N4 O4 -","- C20 H12 N4 O4 -","- C80 H48 N16 O16 -","4","1","","Panja, Sumit Kumar; Saha, Satyen","Recyclable, magnetic ionic liquid bmim[FeCl4]-catalyzed, multicomponent, solvent-free, green synthesis of quinazolines","RSC Advances","2013","3","34","14495","","10.1039/c3ra42039f","","","0.71073","MoKα","","0.0839","0.052","","","0.1095","0.1273","","","","","","1.008","","","","has coordinates","244548","2020-10-21","18:00:00",""
"7239107","7.8795","0.0007","10.879","0.0008","19.733","0.002","90","","90","","90","","1691.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-(6-chloro-4-phenyl-1,2-dihydroquinolin-2-yl)phenol","","- C20 H15 Cl N2 O -","- C20 H15 Cl N2 O -","- C80 H60 Cl4 N8 O4 -","4","1","","Panja, Sumit Kumar; Saha, Satyen","Recyclable, magnetic ionic liquid bmim[FeCl4]-catalyzed, multicomponent, solvent-free, green synthesis of quinazolines","RSC Advances","2013","3","34","14495","","10.1039/c3ra42039f","","","0.71073","MoKα","","0.0735","0.0528","","","0.1147","0.1309","","","","","","1.053","","","","has coordinates","244548","2020-10-21","18:00:00",""
"7239108","30.174","0.01","4.6629","0.0019","32.708","0.012","90","","99.186","0.014","90","","4543","3","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H73 N6 O18.5 -","- C34 H66 N6 O18.5 -","- C136 H264 N24 O74 -","4","1","","Mathiselvam, Manoharan; Loganathan, Duraikkannu; Varghese, Babu","Synthesis and characterization of thiourea- and urea-linked glycolipids as low-molecular-weight hydrogelators","RSC Advances","2013","3","34","14528","","10.1039/c3ra42041h","","","0.71073","MoKα","","0.1059","0.0689","","","0.1749","0.2031","","","","","","1.048","","","","has coordinates,has disorder","244549","2020-10-21","18:00:00",""
"7239109","14.0188","0.0002","14.596","0.0002","20.585","0.0003","90","","106.508","0.001","90","","4038.45","0.1","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C56 H37 N5 -","- C56 H37 N5 -","- C224 H148 N20 -","4","1","","Chou, Shu-Hua; Hung, Wen-Yi; Chen, Chih-Ming; Liu, Qu-Yuan; Liu, Yi-Hung; Wong, Ken-Tsung","Manipulation of connecting topology in carbazole/benzimidazole universal bipolar host materials for RGB and White PhOLEDs","RSC Advances","2013","3","33","13891","","10.1039/c3ra42067a","","","1.54178","CuKα","","0.0782","0.0471","","","0.1188","0.1336","","","","","","1.033","","","","has coordinates","244550","2020-10-21","18:00:00",""
"7239110","21.7946","0.0017","14.4951","0.0011","17.2969","0.0013","90","","93.203","0.001","90","","5455.8","0.7","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C102 H120 F12 N12 O18 Rh4 S4 -","- C102 H120 F12 N12 O18 Rh4 S4 -","- C204 H240 F24 N24 O36 Rh8 S8 -","2","0.5","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Size recognition and optical unloading of polyaromatic compounds based on a coordination box containing face-to-face olefin bonds","RSC Advances","2013","3","29","11476","","10.1039/c3ra42075b","","","0.71073","MoKα","","0.0699","0.0517","","","0.1419","0.1561","","","","","","1.073","","","","has coordinates","244551","2020-10-21","18:00:00",""
"7239111","19.3744","0.0015","20.4476","0.0016","16.1066","0.0012","90","","91.537","0.001","90","","6378.5","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C117 H126 F12 N12 O19 Rh4 S4 -","- C115 H113 F12 N12 O15 Rh4 S4 -","- C230 H226 F24 N24 O30 Rh8 S8 -","2","0.5","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Size recognition and optical unloading of polyaromatic compounds based on a coordination box containing face-to-face olefin bonds","RSC Advances","2013","3","29","11476","","10.1039/c3ra42075b","","","0.71073","MoKα","","0.0935","0.0569","","","0.1489","0.1668","","","","","","0.948","","","","has coordinates,has disorder","244551","2020-10-21","18:00:00",""
"7239112","12.9496","0.0002","23.8189","0.0004","18.5603","0.0004","90","","97.901","0.001","90","","5670.49","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C104 H116 F12 N12 O14 Rh4 S4 -","- C96 H96 F12 N12 O12 Rh4 S4 -","- C192 H192 F24 N24 O24 Rh8 S8 -","2","0.5","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Size recognition and optical unloading of polyaromatic compounds based on a coordination box containing face-to-face olefin bonds","RSC Advances","2013","3","29","11476","","10.1039/c3ra42075b","","","1.54178","CuKα","","0.0869","0.0752","","","0.2109","0.2246","","","","","","1.079","","","","has coordinates,has disorder","244551","2020-10-21","18:00:00",""
"7239113","19.4313","0.001","20.8183","0.0011","16.1878","0.0008","90","","91.188","0.001","90","","6547","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C130 H124 F12 N12 O14 Rh4 S4 -","- C130 H114 F12 N12 O14 Rh4 S4 -","- C260 H228 F24 N24 O28 Rh8 S8 -","2","0.5","","Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin","Size recognition and optical unloading of polyaromatic compounds based on a coordination box containing face-to-face olefin bonds","RSC Advances","2013","3","29","11476","","10.1039/c3ra42075b","","","0.71073","MoKα","","0.0748","0.0501","","","0.1434","0.1549","","","","","","1.056","","","","has coordinates,has disorder","244551","2020-10-21","18:00:00",""
"7239114","13.9267","0.0006","8.4827","0.0003","13.6567","0.0005","90","","103.56","0.004","90","","1568.38","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(6aS,7aR,14aR)-2-nitro-6a,7,7a,12,13,14a-hexahydro-6H-chromeno[3',4':4,5] pyrrolo[2,1-a]isoquinoline","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Parmar, Narsidas J.; Pansuriya, Bhavesh R.; Labana, Balvantsingh M.; Kant, Rajni; Gupta, Vivek K.","A convenient 1,3-dipolar cycloaddition‒reduction synthetic sequence from 2-allyloxy-5-nitro-salicylaldehyde to aminobenzopyran-annulated heterocycles","RSC Advances","2013","3","38","17527","","10.1039/c3ra42220h","","","0.71073","MoKα","","0.1039","0.0599","","","0.1173","0.1338","","","","","","1.06","","","","has coordinates","244552","2020-10-21","18:00:00",""
"7239115","31.2908","0.0012","9.2585","0.0003","12.661","0.0005","90","","90","","90","","3668","0.2","110","2","110","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","1","","Bandyopadhyay, Debasish; Rhodes, Elvira; Banik, Bimal K.","A green, chemoselective, and practical approach toward N-(2-azetidinonyl) 2,5-disubstituted pyrroles","RSC Advances","2013","3","37","16756","","10.1039/c3ra42266f","","","0.71073","MoKα","","0.073","0.0434","","","0.087","0.096","","","","","","1.015","","","","has coordinates","244553","2020-10-21","18:00:00",""
"7239116","9.5368","0.0002","11.2841","0.0003","16.5037","0.0005","90","","90.689","0.002","90","","1775.9","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Bandyopadhyay, Debasish; Rhodes, Elvira; Banik, Bimal K.","A green, chemoselective, and practical approach toward N-(2-azetidinonyl) 2,5-disubstituted pyrroles","RSC Advances","2013","3","37","16756","","10.1039/c3ra42266f","","","1.54178","CuKα","","0.0415","0.0392","","","0.0941","0.0957","","","","","","1.067","","","","has coordinates","244553","2020-10-21","18:00:00",""
"7239117","15.6995","0.0012","10.4795","0.0009","17.7531","0.0016","90","","111.535","0.008","90","","2716.9","0.4","98","2","98","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(+/-)<i>N</i>-(chrysen-6-yl)-3-(2,5-dimethyl-1<i>H</i>-pyrrol-1-yl)-4- (thiophene-2-yl)azetidin-2-one acetone solvate","","- C34 H30 N2 O2 S -","- C34 H29 N2 O2 S -","- C136 H116 N8 O8 S4 -","4","1","","Bandyopadhyay, Debasish; Rhodes, Elvira; Banik, Bimal K.","A green, chemoselective, and practical approach toward N-(2-azetidinonyl) 2,5-disubstituted pyrroles","RSC Advances","2013","3","37","16756","","10.1039/c3ra42266f","","","0.71073","MoKα","","0.058","0.0436","","","0.0968","0.1044","","","","","","0.991","","","","has coordinates,has disorder","244553","2020-10-21","18:00:00",""
"7239118","8.337","0.005","8.48","0.005","12.878","0.005","99.234","0.005","106.409","0.005","93.053","0.005","857.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C40 H36 N4 O4 S2 -","2","1","","Palanisamy, Pandaram; Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas; Kumaresan, Sudalaiandi","Synthesis, characterization, antimicrobial, anticancer, and antituberculosis activity of some new pyrazole, isoxazole, pyrimidine and benzodiazepine derivatives containing thiochromeno and benzothiepino moieties","RSC Advances","2013","3","42","19300","","10.1039/c3ra42283f","","","0.71073","MoKα","","0.0492","0.039","","","0.1052","0.1128","","","","","","1.046","","","","has coordinates","244554","2020-10-21","18:00:00",""
"7239119","16.8526","0.0002","9.0052","0.0001","27.1364","0.0004","90","","125.282","0.001","90","","3361.8","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C152 H128 N16 O16 S8 -","8","2","","Palanisamy, Pandaram; Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas; Kumaresan, Sudalaiandi","Synthesis, characterization, antimicrobial, anticancer, and antituberculosis activity of some new pyrazole, isoxazole, pyrimidine and benzodiazepine derivatives containing thiochromeno and benzothiepino moieties","RSC Advances","2013","3","42","19300","","10.1039/c3ra42283f","","","0.71073","MoKα","","0.0629","0.0394","","","0.0928","0.1049","","","","","","1.017","","","","has coordinates","244554","2020-10-21","18:00:00",""
"7239120","19.7959","0.0019","19.7959","0.0019","11.155","0.002","90","","90","","90","","4371.4","1","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","CPWWSS","","","- C25 H22 N4 O2 -","- C25 H22 N4 O2 -","- C200 H176 N32 O16 -","8","2","","Barman, Apurba Kr.; Verma, Sandeep","Solid state structures and solution phase self-assembly of clicked mannosylated diketopiperazines","RSC Advances","2013","3","34","14691","","10.1039/c3ra42310g","","","0.71073","MoKα","","0.0745","0.0553","","","0.1149","0.1237","","","","","","1.001","","","","has coordinates","244555","2020-10-21","18:00:00",""
"7239121","8.505","0.002","14.137","0.001","24.601","0.003","90","","90","","90","","2957.9","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CMPWWSSR","","","- C32 H33 N7 O9 -","- C32 H33 N7 O9 -","- C128 H132 N28 O36 -","4","1","","Barman, Apurba Kr.; Verma, Sandeep","Solid state structures and solution phase self-assembly of clicked mannosylated diketopiperazines","RSC Advances","2013","3","34","14691","","10.1039/c3ra42310g","","","0.71073","MoKα","","0.0891","0.0638","","","0.1573","0.1822","","","","","","1.086","","","","has coordinates","244555","2020-10-21","18:00:00",""
"7239122","10.752","0.004","11.307","0.004","14.521","0.005","90","","111.549","0.014","90","","1642","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N2 O4 -","- C20 H14 N2 O4 -","- C80 H56 N8 O16 -","4","1","","Paul, Sanjay; Ghosh, Sirshendu; Bhattacharyya, Pranabes; Das, Asish R.","Synthesis of a SO3H-bearing carbonaceous solid catalyst, PEG‒SAC: application for the easy access to a diversified library of pyran derivatives","RSC Advances","2013","3","34","14254","","10.1039/c3ra42352b","","","0.71073","MoKα","","0.0649","0.0434","","","0.1189","0.1346","","","","","","0.848","","","","has coordinates","244556","2020-10-21","18:00:00",""
"7239123","15.2706","0.0019","11.075","0.0013","11.6658","0.0014","90","","122.294","0.003","90","","1667.8","0.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 O5 -","- C8 H8 O5 -","- C64 H64 O40 -","8","1","","Thiyagarajan, Shanmugam; Pukin, Aliaksei; van Haveren, Jacco; Lutz, Martin; van Es, Daan S.","Concurrent formation of furan-2,5- and furan-2,4-dicarboxylic acid: unexpected aspects of the Henkel reaction","RSC Adv.","2013","3","36","15678","","10.1039/C3RA42457J","","","0.71073","MoKα","","0.0516","0.0411","","","0.1096","0.12","","","","","","1.048","","","","has coordinates","244557","2020-10-21","18:00:00",""
"7239124","21.4954","0.0013","21.4954","0.0013","21.4954","0.0013","90","","90","","90","","9932","1","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C25 H104 N24 Ni5 O73 P2 W19 -","- C25 H96 N24 Ni5 O73 P2 W19 -","- C100 H384 N96 Ni20 O292 P8 W76 -","4","0.333333","","Liu, Zhu-Jun; Yao, Shuang; Zhang, Zhi-Ming; Wang, En-Bo","A polyoxometalate-based ionic crystal assembly from a heterometallic cluster and polyoxoanions with visible-light catalytic activity","RSC Advances","2013","3","43","20829","","10.1039/c3ra42594k","","","0.71073","MoKα","","0.0508","0.0377","","","0.0882","0.0955","","","","","","1.022","","","","has coordinates","244558","2020-10-21","18:00:00",""
"7239125","45.96","0.03","14.997","0.008","34.57","0.02","90","","119.729","0.008","90","","20692","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C200 H196 N36 O40 Ti4 Zn4 -","- C200 H196 N36 O40 Ti4 Zn4 -","- C800 H784 N144 O160 Ti16 Zn16 -","4","0.5","","Metherell, A. J.; Ward, M. D.","A tetrameric hetero-octanuclear cyclic helicate formed from a bridging ligand with two inequivalent binding sites","RSC Advances","2013","3","34","14281","","10.1039/c3ra42598c","","","0.71075","MoKα","","0.1367","0.109","","","0.2759","0.3","","","","","","1.062","","","","has coordinates","244559","2020-10-21","18:00:00",""
"7239126","4.807","0.003","18.377","0.013","22.149","0.015","90","","91.68","0.03","90","","1956","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br N4 O3 -","- C22 H19 Br N4 O3 -","- C88 H76 Br4 N16 O12 -","4","1","","Metherell, A. J.; Ward, M. D.","A tetrameric hetero-octanuclear cyclic helicate formed from a bridging ligand with two inequivalent binding sites","RSC Advances","2013","3","34","14281","","10.1039/c3ra42598c","","","0.71075","MoKα","","0.1019","0.0752","","","0.189","0.214","","","","","","1.062","","","","has coordinates","244559","2020-10-21","18:00:00",""
"7239127","14.0169","0.0003","16.7072","0.0003","19.0984","0.0004","90","","90","","90","","4472.52","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H44 N2 O8 Re2 -","- C48 H44 N2 O8 Re2 -","- C192 H176 N8 O32 Re8 -","4","1","","Sathish, Veerasamy; Babu, Eththilu; Ramdass, Arumugam; Lu, Zong-Zhan; Chang, Tzu-Ting; Velayudham, Murugesan; Thanasekaran, Pounraj; Lu, Kuang-Lieh; Li, Wen-Shan; Rajagopal, Seenivasan","Photoswitchable alkoxy-bridged binuclear rhenium(i) complexes ‒ a potential probe for biomolecules and optical cell imaging","RSC Advances","2013","3","40","18557","","10.1039/c3ra42627k","","","0.71073","MoKα","","0.0571","0.0463","","","0.1113","0.1178","","","","","","1.067","","","","has coordinates","244560","2020-10-21","18:00:00",""
"7239128","8.2594","0.0017","12.235","0.002","13.77","0.003","74.3","0.03","81.22","0.03","73.35","0.03","1279.2","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C58 H68 N6 -","- C58 H68 N6 -","- C58 H68 N6 -","1","0.5","","Xing, Qifeng; Zhao, Tong; Qiao, Yusen; Wang, Lin; Redshaw, Carl; Sun, Wen-Hua","Synthesis, characterization and ethylene polymerization behavior of binuclear iron complexes bearing N,N′-bis(1-(6-(1-(arylimino)ethyl) pyridin-2-yl)ethylidene)benzidines","RSC Advances","2013","3","48","26184","","10.1039/c3ra42631a","","","0.71073","MoKα","","","0.1361","","","0.3522","0.4188","","","","","","1.152","","","","has coordinates","244561","2020-10-21","18:00:00",""
"7239129","7.108","0.0001","10.9002","0.0002","14.3071","0.0002","80.435","0.001","85.677","0.001","71.96","0.001","1039.01","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N5 O2 -","- C23 H21 N5 O2 -","- C46 H42 N10 O4 -","2","1","","Selvaraju, Manikandan; Shiu, Wei-Shuen; Kulkarni, Manohar V.; Sun, Chung-Ming","Ionic liquid supported synthesis of tricyclic pyrimido[1,2-a]benzimidazoles by a telescoped Michael/hetero annulation strategy","RSC Advances","2013","3","44","22314","","10.1039/c3ra42658k","","","0.71073","MoKα","","0.056","0.0449","","","0.1269","0.1417","","","","","","1.08","","","","has coordinates","244562","2020-10-21","18:00:00",""
"7239130","14.159","0.004","14.219","0.004","15.69","0.004","83.409","0.009","64.951","0.009","65.669","0.008","2600.7","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C45.33 H26.67 O2.67 S1.33 -","- C45.3333 H26.6667 O2.66667 S1.33333 -","- C136 H80 O8 S4 -","3","1.5","","Mitra, Tapobrata; Das, Joyee; Maji, Manasi; Das, Ranjita; Das, Uttam Kumar; Chattaraj, Pratim K.; Basak, Amit","A one-pot Garratt‒Braverman cyclization and Scholl oxidation route to acene‒helicene hybrids","RSC Advances","2013","3","43","19844","","10.1039/c3ra42696c","","","0.71073","MoKα","","0.4118","0.1252","","","0.2441","0.3794","","","","","","0.933","","","","has coordinates","244563","2020-10-21","18:00:00",""
"7239131","11.693","0.002","12.779","0.002","12.838","0.002","82.653","0.006","67.803","0.005","73.719","0.005","1704.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 N0 O2 S -","- C22 H16 O2 S -","- C88 H64 O8 S4 -","4","2","","Mitra, Tapobrata; Das, Joyee; Maji, Manasi; Das, Ranjita; Das, Uttam Kumar; Chattaraj, Pratim K.; Basak, Amit","A one-pot Garratt‒Braverman cyclization and Scholl oxidation route to acene‒helicene hybrids","RSC Advances","2013","3","43","19844","","10.1039/c3ra42696c","","","0.71073","MoKα","","0.1374","0.0729","","","0.1641","0.199","","","","","","1.014","","","","has coordinates","244563","2020-10-21","18:00:00",""
"7239132","17.7927","0.0014","11.1432","0.0009","18.4952","0.0015","90","","102.033","0.002","90","","3586.4","0.5","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C39 H38 N2 O8 S -","- C39 H38 N2 O8 S -","- C156 H152 N8 O32 S4 -","4","2","","Huang, You-ming; Zheng, Chang-wu; Zhao, Gang","Organocatalyzed aza-Michael‒Michael cascade reactions to construct spirooxindole tetrahydroquinolines with all-carbon chiral centers","RSC Advances","2013","3","38","16999","","10.1039/c3ra42783h","","","0.71073","MoKα","","0.076","0.0572","","","0.1375","0.1512","","","","","","1.019","","","","has coordinates,has disorder","244564","2020-10-21","18:00:00",""
"7239133","7.3183","0.0005","12.5581","0.0009","27.197","0.002","90","","90","","90","","2499.5","0.3","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","maleimide","1-phenyl-3-(phenylamino)-1H-pyrrole-2,5-dione","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","2","","Boominathan, Muthusamy; Sathish, Veerasamy; Nagaraj, Muthupandi; Bhuvanesh, Nattamai; Muthusubramanian, Shanmugam; Rajagopal, Seenivasan","Aggregation induced emission characteristics of maleimide derivatives","RSC Advances","2013","3","44","22246","","10.1039/c3ra42809e","","","1.54178","CuKα","","0.0663","0.0538","","","0.1386","0.1456","","","","","","1.051","","","","has coordinates","244565","2020-10-21","18:00:00",""
"7239134","7.487","0.0015","16.276","0.003","11.153","0.002","90","","90.01","0.03","90","","1359.1","0.4","298","","298","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H50 O4 -","- C31 H50 O4 -","- C62 H100 O8 -","2","1","","Kacharov, Alexey D.; Yemets, Sergiy V.; Nemykin, Victor N.; Kacharova, Liliya M.; Fokin, Andrey A.; Krasutsky, Pavel A.","Stereoselectivity of A-ring contraction for 3-oxotriterpenoids","RSC Advances","2013","3","41","19057","","10.1039/c3ra42929f","","","0.71073","MoKα","","0.0923","0.0797","","0.1995","0.1774","0.1995","","","","","","0.9688","","","","has coordinates","244566","2020-10-21","18:00:00",""
"7239135","27.5725","0.0017","12.5357","0.0008","17.3474","0.0011","90","","126.062","0.001","90","","4847","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H26 N6 O2 -","- C27 H26 N6 O2 -","- C216 H208 N48 O16 -","8","1","","Tang, Lijun; Cai, Mingjun; Zhou, Pei; Zhao, Jia; Zhong, Keli; Hou, Shuhua; Bian, Yanjiang","A highly selective and ratiometric fluorescent sensor for relay recognition of zinc(ii) and sulfide ions based on modulation of excited-state intramolecular proton transfer","RSC Advances","2013","3","37","16802","","10.1039/c3ra42931h","","","0.71073","MoKα","","0.0682","0.0437","","","0.1084","0.1232","","","","","","1.03","","","","has coordinates","244567","2020-10-21","18:00:00",""
"7239136","12.297","0.005","17.946","0.005","10.559","0.005","100.61","0.005","102.44","0.005","105.11","0.005","2124.3","1.5","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C88 H128 O16 -","- C88 H128 O16 -","- C88 H128 O16 -","1","1","","Ghirga, Francesca; D'Acquarica, Ilaria; Monache, Giuliano Delle; Toscano, Sara; Mannina, Luisa; Sobolev, Anatoly P.; Ugozzoli, Franco; Crocco, Domenico; Antiochia, Riccarda; Botta, Bruno","Undecenyl resorc[4]arene in the chair conformation as preorganized synthon for olefin metathesis","RSC Advances","2013","3","38","17567","","10.1039/c3ra42943a","","","1.54178","CuKα","","0.134","0.0639","","","0.143","0.1667","","","","","","1.04","","","","has coordinates","244568","2020-10-21","18:00:00",""
"7239137","8.1484","0.0011","18.284","0.002","15.475","0.002","90","","90","","90","","2305.5","0.5","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C17 H29 Br2 N7 Pd -","- C17 H29 Br2 N7 Pd -","- C68 H116 Br8 N28 Pd4 -","4","0.5","","Chen, Qian; Lv, Lanlan; Yu, Meng; Shi, Yanhui; Li, Yuling; Pang, Guangsheng; Cao, Changsheng","Simple, efficient and reusable Pd‒NHC catalysts for hydroamination","RSC Advances","2013","3","40","18359","","10.1039/c3ra42990c","","","0.71073","MoKα","","0.0497","0.0421","","","0.1361","0.1536","","","","","","1.025","","","","has coordinates,has disorder","244569","2020-10-21","18:00:00",""
"7239138","16.0644","0.0018","9.4857","0.0011","13.3115","0.0016","90","","100.765","0.003","90","","1992.7","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Br2 N6 Pd -","- C14 H24 Br2 N6 Pd -","- C56 H96 Br8 N24 Pd4 -","4","1","","Chen, Qian; Lv, Lanlan; Yu, Meng; Shi, Yanhui; Li, Yuling; Pang, Guangsheng; Cao, Changsheng","Simple, efficient and reusable Pd‒NHC catalysts for hydroamination","RSC Advances","2013","3","40","18359","","10.1039/c3ra42990c","","","0.71073","MoKα","","0.1493","0.1349","","","0.3353","0.3444","","","","","","1.245","","","","has coordinates","244569","2020-10-21","18:00:00",""
"7239139","7.874","","12","","14.805","","90","","94.7","","90","","1394.19","","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 O2 P2 -","- C38 H28 O2 P2 -","- C76 H56 O4 P4 -","2","0.5","","Zhao, Yan; Duan, Lian; Zhang, Xiao; Zhang, Deqiang; Qiao, Juan; Dong, Guifang; Wang, Liduo; Qiu, Yong","White light emission from an exciplex based on a phosphine oxide type electron transport compound in a bilayer device structure","RSC Advances","2013","3","44","21453","","10.1039/c3ra43017k","","","0.71073","MoKα","","0.0429","0.0414","","","0.0977","0.0988","","","","","","1.111","","","","has coordinates","244570","2020-10-21","18:00:00",""
"7239140","22.834","0.007","8.194","0.003","13.429","0.004","90","","98.048","0.008","90","","2487.8","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H41 Br N2 O2 -","- C22 H41 Br N2 O2 -","- C88 H164 Br4 N8 O8 -","4","1","","Tseng, Jing C. W.; Rondla, Rohini; Su, Padi Y. S.; Lin, Ivan J. B.","The roles of betaine-ester analogues of 1-N-alkyl-3-N′-methyl imidazolium salts: as amphotropic ionic liquid crystals and organogelators","RSC Advances","2013","3","47","25151","","10.1039/c3ra43067g","","","0.71073","MoKα","","0.1492","0.0476","","","0.1041","0.1508","","","","","","0.889","","","","has coordinates","244571","2020-10-21","18:00:00",""
"7239141","8.4947","0.0007","9.0566","0.0007","32.905","0.003","82.735","0.004","88.304","0.004","88.047","0.004","2508.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H41 B F4 N2 O2 -","- C22 H41 B F4 N2 O2 -","- C88 H164 B4 F16 N8 O8 -","4","2","","Tseng, Jing C. W.; Rondla, Rohini; Su, Padi Y. S.; Lin, Ivan J. B.","The roles of betaine-ester analogues of 1-N-alkyl-3-N′-methyl imidazolium salts: as amphotropic ionic liquid crystals and organogelators","RSC Advances","2013","3","47","25151","","10.1039/c3ra43067g","","","0.71073","MoKα","","0.1447","0.0748","","","0.143","0.1705","","","","","","1.048","","","","has coordinates","244571","2020-10-21","18:00:00",""
"7239142","15.87","0.003","15.196","0.003","6.029","0.0012","90","","90.95","0.03","90","","1453.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 I N3 O -","- C15 H12 I N3 O -","- C60 H48 I4 N12 O4 -","4","1","","Zhang, Zhenhua; Chang, Lina; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","Synthesis of 2-vinyl-2H-benzotriazoles via NIS-promoted regio/stereoselective addition of 1H-benzotriazole to alkynes","RSC Advances","2013","3","40","18446","","10.1039/c3ra43075h","","","0.71073","MoKα","","0.0941","0.0628","","","0.1537","0.1704","","","","","","1.004","","","","has coordinates","244572","2020-10-21","18:00:00",""
"7239143","14.964","0.003","7.602","0.0015","16.564","0.003","90","","103.44","0.03","90","","1832.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 I N3 O2 -","- C19 H18 I N3 O2 -","- C76 H72 I4 N12 O8 -","4","1","","Zhang, Zhenhua; Chang, Lina; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","Synthesis of 2-vinyl-2H-benzotriazoles via NIS-promoted regio/stereoselective addition of 1H-benzotriazole to alkynes","RSC Advances","2013","3","40","18446","","10.1039/c3ra43075h","","","0.71073","MoKα","","0.0939","0.0634","","","0.1521","0.169","","","","","","1.009","","","","has coordinates","244572","2020-10-21","18:00:00",""
"7239144","10.665","0.002","11.535","0.002","18.711","0.004","89.19","0.03","82.8","0.03","64.4","0.03","2057.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H36 I2 N6 O4 -","- C44 H36 I2 N6 O4 -","- C88 H72 I4 N12 O8 -","2","1","","Zhang, Zhenhua; Chang, Lina; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","Synthesis of 2-vinyl-2H-benzotriazoles via NIS-promoted regio/stereoselective addition of 1H-benzotriazole to alkynes","RSC Advances","2013","3","40","18446","","10.1039/c3ra43075h","","","0.71073","MoKα","","0.0946","0.0585","","","0.1529","0.1735","","","","","","1.073","","","","has coordinates","244572","2020-10-21","18:00:00",""
"7239145","8.372","0.0017","16.816","0.003","15.35","0.003","90","","94.16","0.03","90","","2155.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 I N3 O Si -","- C20 H22 I N3 O Si -","- C80 H88 I4 N12 O4 Si4 -","4","1","","Zhang, Zhenhua; Chang, Lina; Wang, Shaozhong; Wang, Huaqin; Yao, Zhu-Jun","Synthesis of 2-vinyl-2H-benzotriazoles via NIS-promoted regio/stereoselective addition of 1H-benzotriazole to alkynes","RSC Advances","2013","3","40","18446","","10.1039/c3ra43075h","","","0.71073","MoKα","","0.1245","0.0597","","","0.1102","0.1284","","","","","","1.008","","","","has coordinates","244572","2020-10-21","18:00:00",""
"7239146","15.961","0.002","12.6449","0.0016","7.1365","0.0009","90","","94.32","0.002","90","","1436.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Fe N3 O2 -","- C17 H13 Fe N3 O2 -","- C68 H52 Fe4 N12 O8 -","4","1","","Zhao, Haiying; Guo, Le; Chen, Shufeng; Bian, Zhanxi","Synthesis, complexation of 1,2,3-(NH)-triazolylferrocene derivatives and their catalytic effect on thermal decomposition of ammonium perchlorate","RSC Advances","2013","3","43","19929","","10.1039/c3ra43117g","","","0.71073","MoKα","","0.0386","0.0311","","","0.1067","0.1147","","","","","","0.914","","","","has coordinates","244573","2020-10-21","18:00:00",""
"7239147","11.6361","0.0004","6.8244","0.0002","12.1675","0.0005","90","","103.755","0.004","90","","938.5","0.06","293","2","293","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 Gd N6 O14 -","- C8 H12 Cl Cu2 Gd N6 O14 -","- C16 H24 Cl2 Cu4 Gd2 N12 O28 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.0282","0.0265","","","0.0598","0.0606","","","","","","1.122","","","","has coordinates","244574","2020-10-21","18:00:00",""
"7239148","11.6342","0.0004","6.8158","0.0003","12.1505","0.0004","90","","103.834","0.004","90","","935.54","0.06","293","2","293","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 N6 O14 Tb -","- C8 H8 Cl Cu2 N6 O14 Tb -","- C16 H16 Cl2 Cu4 N12 O28 Tb2 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.1036","0.0936","","","0.257","0.2699","","","","","","1.102","","","","has coordinates","244574","2020-10-21","18:00:00",""
"7239149","11.55","0.002","6.7557","0.0015","12.137","0.003","90","","103.35","0.03","90","","921.4","0.4","128","2","128","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 Dy N6 O14 -","- C8 H12 Cl Cu2 Dy N6 O14 -","- C16 H24 Cl2 Cu4 Dy2 N12 O28 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.0873","0.076","","","0.1603","0.169","","","","","","1.06","","","","has coordinates,has disorder","244574","2020-10-21","18:00:00",""
"7239150","11.5691","0.0017","6.7563","0.0009","12.088","0.002","90","","103.437","0.015","90","","919","0.2","293","2","293","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 Ho N6 O14 -","- C8 H12 Cl Cu2 Ho N6 O14 -","- C16 H24 Cl2 Cu4 Ho2 N12 O28 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.0483","0.046","","","0.0971","0.0985","","","","","","1.165","","","","has coordinates","244574","2020-10-21","18:00:00",""
"7239151","11.5842","0.001","6.772","0.0006","12.0905","0.0015","90","","103.604","0.011","90","","921.87","0.17","128.7","0.14","128.7","0.14","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 Er N6 O14 -","- C8 H8 Cl Cu2 Er N6 O14 -","- C16 H16 Cl2 Cu4 Er2 N12 O28 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.0638","0.0624","","","0.1384","0.1392","","","","","","1.208","","","","has coordinates","244574","2020-10-21","18:00:00",""
"7239156","8.8776","0.0018","8.9196","0.0018","9.984","0.002","98.89","0.03","108.72","0.03","110.34","0.03","669.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Co3 N2 O20 P4 -","- C16 H20 Co3 N2 O20 P4 -","- C16 H20 Co3 N2 O20 P4 -","1","0.5","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.0872","0.0586","","","0.0966","0.1042","","","","","","1.096","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239157","5.4294","0.0011","15.982","0.003","12.892","0.003","90","","98.23","0.03","90","","1107.2","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Co N O8 P2 -","- C7 H11 Co N O8 P2 -","- C28 H44 Co4 N4 O32 P8 -","4","1","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.0721","0.0496","","","0.0854","0.0921","","","","","","1.057","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239158","7.2146","0.0014","9.358","0.0019","11.945","0.002","93.03","0.03","107.48","0.03","110.72","0.03","707.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H14 Co N O11 P2 -","- C8 H14 Co N O11 P2 -","- C16 H28 Co2 N2 O22 P4 -","2","1","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.0872","0.0547","","","0.1287","0.1566","","","","","","1.088","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239159","7.7416","0.0015","9.2139","0.0018","15.336","0.003","90","","95.96","0.03","90","","1088","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Cu N2 O14 P4 -","- C14 H20 Cu N2 O14 P4 -","- C28 H40 Cu2 N4 O28 P8 -","2","0.5","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.0609","0.0451","","","0.0936","0.099","","","","","","1.042","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239160","8.6015","0.0017","8.9334","0.0018","9.6326","0.0019","109.44","0.03","99.01","0.03","110.06","0.03","624.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cu3 N2 O18 P4 -","- C16 H18 Cu3 N2 O18 P4 -","- C16 H18 Cu3 N2 O18 P4 -","1","0.5","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.0641","0.0448","","","0.0963","0.1042","","","","","","1.001","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239161","5.5056","0.0011","9.82","0.002","9.839","0.002","94.13","0.03","103.16","0.03","102.49","0.03","501.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H9 Cu N O7 P2 -","- C7 H9 Cu N O7 P2 -","- C14 H18 Cu2 N2 O14 P4 -","2","1","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.1027","0.0698","","","0.1361","0.1455","","","","","","1.12","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239162","5.5564","0.0011","9.887","0.002","10.489","0.002","71.93","0.03","88.77","0.03","78.8","0.03","536.9","0.2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cu4 N2 O14 P4 -","- C14 H15 Cu4 N2 O14 P4 -","- C14 H15 Cu4 N2 O14 P4 -","1","0.5","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.1042","0.0629","","","0.1189","0.1319","","","","","","1.047","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239163","5.5529","0.0011","16.196","0.003","12.86","0.003","90","","98.23","0.03","90","","1144.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H11 Mn N O8 P2 -","- C7 H11 Mn N O8 P2 -","- C28 H44 Mn4 N4 O32 P8 -","4","1","","Ma, Yun-Sheng; Yin, Wen-Yu; Cai, Wang-Shui; Zhu, Ping-Zhou; Tang, Xiao-Yan; Yuan, Rong-Xin; Roy, Soumyajit","Eight novel metal diphosphonates based on 2-(4-pyridinyl)-1-hydroxyl-1,1-ethylidenediphosphonate: syntheses, structures, and magnetic properties","RSC Advances","2013","3","40","18430","","10.1039/c3ra43137a","","","0.71073","MoKα","","0.089","0.0583","","","0.0917","0.0989","","","","","","1.082","","","","has coordinates","244576","2020-10-21","18:00:00",""
"7239164","11.5284","0.0002","15.3983","0.0003","20.2646","0.0004","90","","91.7392","0.0017","90","","3595.67","0.12","170","2","170","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cl2 O10 -","- C40 H34 Cl2 O10 -","- C160 H136 Cl8 O40 -","4","1","","Pan, Mingguang; Xue, Min","A pillar[2]arene[3]hydroquinone which can self-assemble to form a molecular zipper in the solid state","RSC Advances","2013","3","43","20287","","10.1039/c3ra43142h","","","1.54184","CuKα","","0.0644","0.058","","","0.1623","0.1695","","","","","","1.074","","","","has coordinates","244577","2020-10-21","18:00:00",""
"7239165","12.0359","0.0003","21.1081","0.0005","14.8313","0.0004","90","","98.54","0.003","90","","3726.19","0.17","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 N3 O10 -","- C43 H35 N3 O10 -","- C172 H140 N12 O40 -","4","1","","Pan, Mingguang; Xue, Min","A pillar[2]arene[3]hydroquinone which can self-assemble to form a molecular zipper in the solid state","RSC Advances","2013","3","43","20287","","10.1039/c3ra43142h","","","1.54184","CuKα","","0.0714","0.058","","","0.1618","0.1761","","","","","","1.036","","","","has coordinates","244577","2020-10-21","18:00:00",""
"7239166","10.3617","0.0004","12.5519","0.0007","17.8498","0.0009","70.793","0.005","86.489","0.004","66.809","0.004","2008.91","0.19","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H50 O12 -","- C45 H50 O12 -","- C90 H100 O24 -","2","1","","Pan, Mingguang; Xue, Min","A pillar[2]arene[3]hydroquinone which can self-assemble to form a molecular zipper in the solid state","RSC Advances","2013","3","43","20287","","10.1039/c3ra43142h","","","1.54184","CuKα","","0.0665","0.0581","","","0.1642","0.1763","","","","","","1.033","","","","has coordinates","244577","2020-10-21","18:00:00",""
"7239167","12.3034","0.0004","12.4408","0.0004","12.8156","0.0004","90","","91.19","0.002","90","","1961.19","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H6 Mn N2 O2 -","- C4 H5.33333 Mn0.666667 N1.33333 O4 -","- C48 H64 Mn8 N16 O48 -","12","3","","Pato-Doldán, B.; Gómez-Aguirre, L. C.; Bermúdez-García, J. M.; Sánchez-Andújar, M.; Fondado, A.; Mira, J.; Castro-García, S.; Señarís-Rodríguez, M. A.","Coexistence of magnetic and electrical order in the new perovskite-like (C3N2H5)[Mn(HCOO)3] formate","RSC Advances","2013","3","44","22404","","10.1039/c3ra43165g","","","0.71073","MoKα","","0.0668","0.0381","","","0.1042","0.1251","","","","","","0.905","","","","has coordinates","244578","2020-10-21","18:00:00",""
"7239168","12.1962","0.0003","12.3675","0.0003","12.8155","0.0003","90","","91.428","0.001","90","","1932.44","0.08","100","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Mn2 N4 O12 -","- C6 H8 Mn N2 O6 -","- C48 H64 Mn8 N16 O48 -","8","2","","Pato-Doldán, B.; Gómez-Aguirre, L. C.; Bermúdez-García, J. M.; Sánchez-Andújar, M.; Fondado, A.; Mira, J.; Castro-García, S.; Señarís-Rodríguez, M. A.","Coexistence of magnetic and electrical order in the new perovskite-like (C3N2H5)[Mn(HCOO)3] formate","RSC Advances","2013","3","44","22404","","10.1039/c3ra43165g","","","0.71073","MoKα","","0.045","0.0341","","","0.0873","0.0936","","","","","","1.081","","","","has coordinates","244578","2020-10-21","18:00:00",""
"7239169","7.9151","0.0013","10.1402","0.0017","10.6377","0.0017","71.748","0.01","82.952","0.009","75.932","0.01","785.5","0.2","273","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O5 -","- C34 H34 N2 O10 -","- C34 H34 N2 O10 -","1","0.5","","Chong, Qinglei; Xin, Xiaoyi; Wang, Chunxiang; Wu, Fan; Wan, Boshun","Synthesis of functionalized 2-pyridones via Michael addition and cyclization reaction of amines, alkynes and dialkyl acetylene dicarboxylates","RSC Advances","2013","3","44","21222","","10.1039/c3ra43189d","","","0.71073","MoKα","","0.0646","0.0541","","","0.1551","0.1648","","","","","","1.098","","","","has coordinates","244579","2020-10-21","18:00:00",""
"7239170","25.61","0.003","16.1687","0.0017","22.954","0.002","90","","111.185","0.002","90","","8862.5","1.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H57 Br N4 O8 -","- C40 H57 Br N4 O8 -","- C320 H456 Br8 N32 O64 -","8","1","","Prakash, Praveen; Jijy, E.; Shimi, M.; Aparna, P. S.; Suresh, E.; Radhakrishnan, K. V.","Mild rhodium(i) catalyzed ring opening of cyclopropane appended spirotricyclic olefins through C‒H activation of arylboronic acids","RSC Advances","2013","3","43","19933","","10.1039/c3ra43191f","","","0.71073","MoKα","","0.0463","0.0369","","","0.0946","0.0987","","","","","","1.08","","","","has coordinates","244580","2020-10-21","18:00:00",""
"7239171","10.3294","0.0002","14.8602","0.0004","19.1562","0.0004","90","","122.631","0.001","90","","2476.3","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,5,5,7a-tetramethyl-3-phenyl-5,5a,6,7,7a,15,15a,15b- octahydro-3H-pyrazolo[4'',3'':5',6']pyrano[4',3':5,6] thiochromeno[2,3-b]quinoline","","- C30 H29 N3 O S -","- C30 H29 N3 O S -","- C120 H116 N12 O4 S4 -","4","1","","Parmar, Narsidas J.; Barad, Hitesh A.; Labana, Balvantsingh M.; Kant, Rajni; Gupta, Vivek K.","A glycerol mediated domino reaction: an efficient, green synthesis of polyheterocycles incorporating a new thiochromeno[2,3-b]quinoline unit","RSC Advances","2013","3","43","20719","","10.1039/c3ra43205j","","","0.71073","MoKα","","0.0603","0.0436","","","0.0979","0.1053","","","","","","1.04","","","","has coordinates","244581","2020-10-21","18:00:00",""
"7239172","11.6331","0.0008","13.7394","0.0008","31.943","0.002","90","","93.752","0.006","90","","5094.6","0.6","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C34 H74 Al Cl6 Mg2 N O7 Si2 -","- C34 H74 Al Cl6 Mg2 N O7 Si2 -","- C136 H296 Al4 Cl24 Mg8 N4 O28 Si8 -","4","1","","Zhao-Karger, Zhirong; Zhao, Xiangyu; Fuhr, Olaf; Fichtner, Maximilian","Bisamide based non-nucleophilic electrolytes for rechargeable magnesium batteries","RSC Advances","2013","3","37","16330","","10.1039/c3ra43206h","","","0.71073","MoKα","","0.1681","0.0612","","","0.1317","0.1609","","","","","","0.859","","","","has coordinates","244582","2020-10-21","18:00:00",""
"7239173","13.0575","0.0001","13.1701","0.0002","13.9178","0.0002","75.4887","0.0006","70.9784","0.0006","81.8128","0.0007","2185.72","0.05","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H30 Cl F6 N2 O3 Re -","- C48 H30 Cl F6 N2 O3 Re -","- C96 H60 Cl2 F12 N4 O6 Re2 -","2","1","","Redshaw, Carl; Watkins, Scott; Humphrey, Simon M.; Bulman Page, Philip C.; Ashby, Shane; Chao, Yimin; Herbert, Christopher J.; Mueller, Anja","Rhenium(i) phenanthrolines bearing electron withdrawing CF3 substituents: synthesis, characterization and biological evaluation","RSC Advances","2013","3","46","23963","","10.1039/c3ra43207f","","","0.71073","MoKα","","0.0373","0.0332","","","0.0857","0.0882","","","","","","1.051","","","","has coordinates,has disorder","244583","2020-10-21","18:00:00",""
"7239174","9.011","0.0003","10.3134","0.0005","22.7196","0.0009","90","","90","","90","","2111.42","0.15","290","2","290","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 Br N2 O3 S -","- C22 H17 Br N2 O3 S -","- C88 H68 Br4 N8 O12 S4 -","4","1","","Li, Yuan; Su, Yu-Han; Dong, De-Jun; Wu, Zhao; Tian, Shi-Kai","Chiral boron Lewis acid-catalyzed asymmetric synthesis of 4,5-dihydropyrrolo[1,2-a]quinoxalines","RSC Advances","2013","3","40","18275","","10.1039/c3ra43248c","","","0.71073","MoKα","","0.0928","0.0578","","","0.1241","0.1422","","","","","","1.023","","","","has coordinates","244584","2020-10-21","18:00:00",""
"7239175","23.2721","0.0005","3.8985","0.0001","16.3943","0.0003","90","","90","","90","","1487.39","0.06","110","2","109.8","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H13 N O3 -","- C20 H13 N O3 -","- C80 H52 N4 O12 -","4","1","","Mamane, Victor; Chamas, Zein; Aubert, Emmanuel; Fort, Yves","Ag2O mediated N-demethylation and oxidative opening of indenopyrido[2,1-a]isoindolones. Efficient access to polysubstituted 1-azafluorenones","RSC Advances","2013","3","41","19110","","10.1039/c3ra43278e","","","1.5418","CuKα","","0.0251","0.0244","","","0.0694","0.0695","","","","","","1.085","","","","has coordinates","244585","2020-10-21","18:00:00",""
"7239176","11.015","0.006","17.421","0.009","29.938","0.017","90","","93.99","0.01","90","","5731","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H20 Cl Co2 N6 O19 -","- C39 H20 Cl Co2 N6 O19 -","- C156 H80 Cl4 Co8 N24 O76 -","4","1","","Zou, Yang; Li, Yuanyuan; Yu, Chaoyong; Yin, Fei; Lah, Myoung Soo","A supramoleculear self-assembled flexible open framework based on the coordination of honeycomb layers possessing octahedral and tetrahedral CoII geometries","RSC Advances","2013","3","43","19889","","10.1039/c3ra43290d","","","0.71073","MoKα","","0.2272","0.1078","","","0.281","0.3267","","","","","","0.953","","","","has coordinates","244586","2020-10-21","18:00:00",""
"7239177","12.4864","0.0007","17.5092","0.0011","10.6207","0.0005","90","","108.458","0.002","90","","2202.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N5 O5 -","- C24 H21 N5 O5 -","- C96 H84 N20 O20 -","4","1","","Mukherjee, Manjira; Sen, Buddhadeb; Pal, Siddhartha; Hundal, Maninder S.; Mandal, Sushil Kumar; Khuda-Bukhsh, Anisur Rahman; Chattopadhyay, Pabitra","A cell permeable Cr3+ selective chemosensor and its application in living cell imaging","RSC Advances","2013","3","43","19978","","10.1039/c3ra43305f","","","0.71073","MoKα","","0.0856","0.0524","","","0.1334","0.1528","","","","","","1.028","","","","has coordinates","244587","2020-10-21","18:00:00",""
"7239178","16.4482","0.0019","14.1872","0.0017","7.1744","0.0008","90","","114.241","0.002","90","","1526.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","Cu2C27H31O18","","","- C27 H31 Cu2 O18 -","- C27 H31 Cu2 O18 -","- C54 H62 Cu4 O36 -","2","0.25","","Guo, Zhengang; Reddy, M. V.; Goh, Bee Min; San, Angela Koh Phei; Bao, Qiaoliang; Loh, Kian Ping","Electrochemical performance of graphene and copper oxide composites synthesized from a metal‒organic framework (Cu-MOF)","RSC Advances","2013","3","41","19051","","10.1039/c3ra43308k","","","0.71073","MoKα","","0.0453","0.0418","","","0.1248","0.1271","","","","","","1.176","","","","has coordinates,has disorder","244588","2020-10-21","18:00:00",""
"7239179","9.798","0.0013","7.8015","0.0009","20.558","0.002","90","","98.077","0.013","90","","1555.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(1-(4-Fluorophenyl)-2-methyl-4-phenyl-1H-pyrrol-3-yl) ethanone","","- C19 H16 F N O -","- C19 H16 F N O -","- C76 H64 F4 N4 O4 -","4","1","","Bharate, Jaideep B.; Sharma, Rajni; Aravinda, Subrayashastry; Gupta, Vivek K.; Singh, Baldev; Bharate, Sandip B.; Vishwakarma, Ram A.","Montmorillonite clay catalyzed synthesis of functionalized pyrroles through domino four-component coupling of amines, aldehydes, 1,3-dicarbonyl compounds and nitroalkanes","RSC Advances","2013","3","44","21736","","10.1039/c3ra43324b","","","0.71073","MoKα","","0.1052","0.051","","","0.1129","0.1476","","","","","","1.019","","","","has coordinates","244589","2020-10-21","18:00:00",""
"7239180","10.883","0.0013","17.564","0.002","12.8833","0.0015","90","","110.187","0.001","90","","2311.4","0.5","273","2","273","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C51 H38 Cl N3 O2 P2 Ru S -","- C51 H38 Cl N3 O2 P2 Ru S -","- C102 H76 Cl2 N6 O4 P4 Ru2 S2 -","2","1","","Kalaivani, P.; Prabhakaran, R.; Poornima, P.; Huang, R.; Hornebecq, V.; Dallemer, F.; Vijaya Padma, V.; Natarajan, K.","Synthesis and structural characterization of new ruthenium(ii) complexes and investigation of their antiproliferative and metastatic effect against human lung cancer (A549) cells","RSC Advances","2013","3","43","20363","","10.1039/c3ra43335h","","","0.71073","MoKα","","0.0309","0.0295","","","0.0779","0.0794","","","","","","1.026","","","","has coordinates","244590","2020-10-21","18:00:00",""
"7239181","10.697","0.0008","19.9205","0.0015","21.2569","0.0016","93.109","0.001","94.365","0.001","90.994","0.001","4508.8","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C102 H88 Cl2 N6 O5 P4 Ru2 S2 -","- C102 H88 Cl2 N6 O5 P4 Ru2 S2 -","- C204 H176 Cl4 N12 O10 P8 Ru4 S4 -","2","1","","Kalaivani, P.; Prabhakaran, R.; Poornima, P.; Huang, R.; Hornebecq, V.; Dallemer, F.; Vijaya Padma, V.; Natarajan, K.","Synthesis and structural characterization of new ruthenium(ii) complexes and investigation of their antiproliferative and metastatic effect against human lung cancer (A549) cells","RSC Advances","2013","3","43","20363","","10.1039/c3ra43335h","","","0.71073","MoKα","","0.0463","0.038","","","0.1093","0.1178","","","","","","0.775","","","","has coordinates","244590","2020-10-21","18:00:00",""
"7239182","7.8847","0.0005","11.3771","0.0007","20.8098","0.0013","90","","90","","90","","1866.7","0.2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(2-(dimethylamino)-5-iso-propylphenyl) dibenzo[b,d]furan-2-ol","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Chiranjeevi, Barreddi; Koyyada, Ganesh; Prabusreenivasan, S.; Kumar, Vanaja; Sujitha, Pombala; Kumar, C. Ganesh; Sridhar, B.; Shaik, Saida; Chandrasekharam, Malapaka","Iron-catalyzed aryl-aryl cross coupling route for the synthesis of 1-(2-amino)-phenyl)dibenzo[b,d]furan-2-ol derivatives and their biological evaluation","RSC Advances","2013","3","37","16475","","10.1039/c3ra43345e","","","0.71073","MoKα","","0.0329","0.0307","","","0.0821","0.0842","","","","","","1.067","","","","has coordinates","244591","2020-10-21","18:00:00",""
"7239183","4.275","0.0004","19.7528","0.0015","17.138","0.002","90","","92.163","0.009","90","","1446.2","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl N2 S -","- C16 H13 Cl N2 S -","- C64 H52 Cl4 N8 S4 -","4","1","","Sharma, Nutan; Chundawat, Tejpal Singh; Mohapatra, Subash Chandra; Bhagat, Sunita","Solid support mediated chemo and regioselective synthesis of 3H-1,5- benzodiazepines from diversely substituted α-oxo ketene dithioacetals","RSC Advances","2013","3","37","16336","","10.1039/c3ra43347a","","","0.71073","MoKα","","0.0566","0.0457","","","0.1045","0.1102","","","","","","1.076","","","","has coordinates","244592","2020-10-21","18:00:00",""
"7239184","10.788","0.002","12.438","0.003","27.874","0.006","90","","90","","90","","3740.2","1.4","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H38 Br Cl2 N O -","- C41 H38 Br Cl2 N O -","- C164 H152 Br4 Cl8 N4 O4 -","4","1","","Qi, Qingkai; Fang, Xiaofeng; Liu, Yifei; Zhou, Peng; Zhang, Yumo; Yang, Bing; Tian, Wenjing; Zhang, Sean Xiao-An","A TPE-oxazoline molecular switch with tunable multi-emission in both solution and solid state","RSC Advances","2013","3","38","16986","","10.1039/c3ra43357a","","","0.71073","MoKα","","0.1208","0.0535","","","0.1032","0.1229","","","","","","0.945","","","","has coordinates","244593","2020-10-21","18:00:00",""
"7239185","11.086","0.007","12.646","0.009","12.71","0.007","75.39","0.02","68.94","0.02","67.74","0.02","1524.9","1.7","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H35 N O -","- C40 H35 N O -","- C80 H70 N2 O2 -","2","1","","Qi, Qingkai; Fang, Xiaofeng; Liu, Yifei; Zhou, Peng; Zhang, Yumo; Yang, Bing; Tian, Wenjing; Zhang, Sean Xiao-An","A TPE-oxazoline molecular switch with tunable multi-emission in both solution and solid state","RSC Advances","2013","3","38","16986","","10.1039/c3ra43357a","","","0.71073","MoKα","","0.1651","0.0755","","","0.2012","0.2659","","","","","","0.962","","","","has coordinates","244593","2020-10-21","18:00:00",""
"7239186","29.024","0.003","29.024","0.003","11.2581","0.0011","90","","90","","120","","8213.2","1.4","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H69 Cl6 Cu6 N21 -","- C84 H69 Cl6 Cu6 N21 -","- C252 H207 Cl18 Cu18 N63 -","3","0.166667","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.098","0.0608","","","0.168","0.2003","","","","","","1.057","","","","has coordinates,has disorder","244594","2020-10-21","18:00:00",""
"7239187","10.7383","0.0012","15.1497","0.0016","10.7339","0.0011","90","","117.971","0.001","90","","1542.2","0.3","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C30 H32 Cl2 Cu2 N6 O2 S2 -","- C30 H32 Cl2 Cu2 N6 O2 S2 -","- C60 H64 Cl4 Cu4 N12 O4 S4 -","2","0.25","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.087","0.0634","","","0.1834","0.2086","","","","","","1.081","","","","has coordinates","244594","2020-10-21","18:00:00",""
"7239188","7.6592","0.001","14.613","0.0017","20.536","0.002","90","","93.188","0.001","90","","2294.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu I N6 -","- C26 H20 Cu I N6 -","- C104 H80 Cu4 I4 N24 -","4","1","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.0516","0.0334","","","0.0686","0.0735","","","","","","1.017","","","","has coordinates","244594","2020-10-21","18:00:00",""
"7239189","10.798","0.0011","9.0501","0.0009","15.7801","0.0015","90","","102.55","0.001","90","","1505.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 N6 O8 Zn2 -","- C30 H24 N6 O8 Zn2 -","- C60 H48 N12 O16 Zn4 -","2","0.5","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.1579","0.0812","","","0.1825","0.2237","","","","","","0.956","","","","has coordinates","244594","2020-10-21","18:00:00",""
"7239190","11.174","0.0012","15.3189","0.0017","15.2751","0.0015","90","","93.765","0.001","90","","2609","0.5","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C52 H44 Ag4 N24 O2 -","- C52 H44 Ag4 N24 O2 -","- C104 H88 Ag8 N48 O4 -","2","0.5","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.1478","0.0899","","","0.1994","0.2375","","","","","","1.092","","","","has coordinates","244594","2020-10-21","18:00:00",""
"7239191","12.2383","0.0011","12.2768","0.0012","14.7929","0.0016","109.411","0.002","108.631","0.002","98.71","0.001","1902.1","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H73 Co4 N10 O30 S4 -","- C60 H73 Co4 N10 O30 S4 -","- C60 H73 Co4 N10 O30 S4 -","1","0.5","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.1136","0.0643","","","0.1737","0.2136","","","","","","1.033","","","","has coordinates,has disorder","244594","2020-10-21","18:00:00",""
"7239192","7.0161","0.0001","7.8647","0.0001","15.6706","0.0002","79.524","0.001","78.134","0.001","67.639","0.001","777.444","0.019","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Cu N6 O8 -","- C32 H38 Cu N6 O8 -","- C32 H38 Cu N6 O8 -","1","0.5","","Tang, Yun-Yu; Ding, Cai-Xia; Ng, Seik-Weng; Xie, Yong-Shu","Syntheses, structures and photoluminescence of Zn(ii), Ag(i), Cu(i) and Co(ii) coordination polymers of a tetrapyridyl ligand","RSC Advances","2013","3","39","18134","","10.1039/c3ra43405b","","","0.71073","MoKα","","0.0347","0.0311","","","0.0816","0.0847","","","","","","1.029","","","","has coordinates","244594","2020-10-21","18:00:00",""
"7239193","5.8652","0.0012","11.593","0.002","15.295","0.003","90","","98.44","0.03","90","","1028.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cd N6 S4 -","- C16 H12 Cd N6 S4 -","- C32 H24 Cd2 N12 S8 -","2","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0222","0.0206","","","0.0488","0.0495","","","","","","1.128","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239194","10.9674","0.0007","18.1011","0.0009","4.9514","0.0002","90","","90","","90","","982.96","0.09","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H15 Br2 Cd N4 S2 -","- C15 H16 Br2 Cd N4 S2 -","- C30 H32 Br4 Cd2 N8 S4 -","2","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0201","0.018","","","0.0431","0.0436","","","","","","1.049","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239195","28.015","0.002","5.9167","0.0003","21.764","0.0018","90","","113.306","0.008","90","","3313.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 Br2 Cd3 N8 S6 -","- C19 H26 Br2 Cd3 N8 S6 -","- C76 H104 Br8 Cd12 N32 S24 -","4","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0429","0.035","","","0.0823","0.0858","","","","","","1.041","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239196","9.7352","0.0004","12.262","0.0007","14.6609","0.001","90","","99.067","0.004","90","","1728.25","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 Cd3 N12 O0 S8 -","- C20 H26 Cd3 N12 S8 -","- C40 H52 Cd6 N24 S16 -","2","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.026","0.0232","","","0.059","0.0619","","","","","","1.122","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239197","6.3554","0.0013","17.096","0.003","10.443","0.002","90","","101.9","0.03","90","","1110.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H22 Cd N6 Se4 -","- C14 H22 Cd N6 Se4 -","- C28 H44 Cd2 N12 Se8 -","2","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0375","0.0294","","","0.0608","0.0642","","","","","","1.039","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239198","24.0628","0.0016","4.7489","0.0003","19.195","0.0013","90","","102.636","0.004","90","","2140.3","0.2","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Br0 Cd Cl0 N6 O2 S0 Se4 -","- C12 H14 Cd N6 O2 Se4 -","- C48 H56 Cd4 N24 O8 Se16 -","4","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0525","0.0481","","","0.1304","0.1344","","","","","","1.16","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239199","23.862","0.005","4.0296","0.0008","20.735","0.004","90","","104.48","0.03","90","","1930.4","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Br6 Cd2 N2 O0 S2 -","- C10 H10 Br6 Cd2 N2 S2 -","- C40 H40 Br24 Cd8 N8 S8 -","4","0.5","","Jia, Hong-Li; Li, Guang-Hua; Ding, Hong; Gao, Zhong-Min; Zeng, Guang; Yu, Jie-Hui; Xu, Ji-Qing","New halo(pseudohalo)cadmates templated by protonatated N-heterocyclic/diamine molecules","RSC Advances","2013","3","37","16416","","10.1039/c3ra43421d","","","0.71073","MoKα","","0.0586","0.0516","","","0.1154","0.1183","","","","","","1.061","","","","has coordinates","244595","2020-10-21","18:00:00",""
"7239200","13.2892","0.001","14.1229","0.0009","21.3956","0.0015","83.245","0.002","83.276","0.002","78.905","0.002","3894.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H46 Mn3 N13 O13 -","- C72 H46 Mn3 N13 O13 -","- C144 H92 Mn6 N26 O26 -","2","1","","Yu, Meihui; Hu, Ming; Wu, Zhenting","Synthesis, crystal structures and properties of transition metal coordination polymers based on a rigid triazole dicarboxylic acid","RSC Advances","2013","3","47","25175","","10.1039/c3ra43425g","","","0.71073","MoKα","","0.1122","0.0543","","","0.082","0.0912","","","","","","0.964","","","","has coordinates","244597","2020-10-21","18:00:00",""
"7239201","20.321","0.006","12.9865","0.0016","14.312","0.003","90","","99.21","0.02","90","","3728.2","1.4","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H30 N6 O17 Zn4 -","- C32 H30 N6 O17 Zn4 -","- C128 H120 N24 O68 Zn16 -","4","1","","Yu, Meihui; Hu, Ming; Wu, Zhenting","Synthesis, crystal structures and properties of transition metal coordination polymers based on a rigid triazole dicarboxylic acid","RSC Advances","2013","3","47","25175","","10.1039/c3ra43425g","","","0.71073","MoKα","","0.1441","0.1027","","","0.2708","0.3252","","","","","","1.07","","","","has coordinates","244597","2020-10-21","18:00:00",""
"7239202","8.5531","0.0016","8.5859","0.0016","14.526","0.003","74.229","0.003","86.484","0.003","65.613","0.003","933.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cd N3 O9 -","- C16 H19 Cd N3 O9 -","- C32 H38 Cd2 N6 O18 -","2","1","","Yu, Meihui; Hu, Ming; Wu, Zhenting","Synthesis, crystal structures and properties of transition metal coordination polymers based on a rigid triazole dicarboxylic acid","RSC Advances","2013","3","47","25175","","10.1039/c3ra43425g","","","0.71073","MoKα","","0.0306","0.0265","","","0.0764","0.0881","","","","","","1.085","","","","has coordinates","244597","2020-10-21","18:00:00",""
"7239203","8.4018","0.0018","17.937","0.004","19.719","0.004","90","","94.26","0.004","90","","2963.5","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cu","","","- C28 H21 Cu N5 O6 -","- C28 H21 Cu N5 O6 -","- C112 H84 Cu4 N20 O24 -","4","1","","Yu, Meihui; Hu, Ming; Wu, Zhenting","Synthesis, crystal structures and properties of transition metal coordination polymers based on a rigid triazole dicarboxylic acid","RSC Advances","2013","3","47","25175","","10.1039/c3ra43425g","","","0.71073","MoKα","","0.0869","0.0451","","","0.0932","0.1032","","","","","","0.89","","","","has coordinates","244597","2020-10-21","18:00:00",""
"7239204","35.041","0.006","6.2652","0.0011","7.1363","0.0012","90","","92.85","0.003","90","","1564.8","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H13 F2 N3 -","- C19 H13 F2 N3 -","- C76 H52 F8 N12 -","4","0.5","","Wong, Wing-Yan; Lee, Siu-Fung; Chan, Hoi-Shan; Mak, Thomas C. W.; Wong, Chi-Hin; Huang, Lau-Shan; Stoddart, J. Fraser; Cham-Fai Leung, Ken","Recognition between V- and dumbbell-shaped molecules","RSC Advances","2013","3","48","26382","","10.1039/c3ra43470b","","","0.71073","MoKα","","0.0607","0.0471","","","0.1245","0.1442","","","","","","1.054","","","","has coordinates","244598","2020-10-21","18:00:00",""
"7239205","12.053","0.0004","12.8073","0.0004","16.0081","0.0009","95.831","0.001","99.983","0.001","114.149","0.001","2179.41","0.16","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H48 Cl F6 N2 O4 P -","- C48 H48 Cl F6 N2 O4 P -","- C96 H96 Cl2 F12 N4 O8 P2 -","2","1","","Wong, Wing-Yan; Lee, Siu-Fung; Chan, Hoi-Shan; Mak, Thomas C. W.; Wong, Chi-Hin; Huang, Lau-Shan; Stoddart, J. Fraser; Cham-Fai Leung, Ken","Recognition between V- and dumbbell-shaped molecules","RSC Advances","2013","3","48","26382","","10.1039/c3ra43470b","","","0.71073","MoKα","","0.0524","0.042","","","0.1117","0.1235","","","","","","1.011","","","","has coordinates","244598","2020-10-21","18:00:00",""
"7239206","7.166","0.0006","40.204","0.003","6.3427","0.0005","90","","90","","90","","1827.3","0.3","296","2","296","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C21 H19 N3 O2 -","- C21 H19 N3 O2 -","- C84 H76 N12 O8 -","4","0.5","","Wong, Wing-Yan; Lee, Siu-Fung; Chan, Hoi-Shan; Mak, Thomas C. W.; Wong, Chi-Hin; Huang, Lau-Shan; Stoddart, J. Fraser; Cham-Fai Leung, Ken","Recognition between V- and dumbbell-shaped molecules","RSC Advances","2013","3","48","26382","","10.1039/c3ra43470b","","","0.71073","MoKα","","0.0926","0.0439","","","0.092","0.1147","","","","","","1","","","","has coordinates","244598","2020-10-21","18:00:00",""
"7239207","4.7249","0.0007","6.2811","0.0009","28.965","0.004","90","","94.639","0.003","90","","856.8","0.2","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C42 H38 N6 -","2","0.5","","Wong, Wing-Yan; Lee, Siu-Fung; Chan, Hoi-Shan; Mak, Thomas C. W.; Wong, Chi-Hin; Huang, Lau-Shan; Stoddart, J. Fraser; Cham-Fai Leung, Ken","Recognition between V- and dumbbell-shaped molecules","RSC Advances","2013","3","48","26382","","10.1039/c3ra43470b","","","0.71073","MoKα","","0.181","0.1742","","","0.6124","0.6184","","","","","","3.356","","","","has coordinates","244598","2020-10-21","18:00:00",""
"7239208","29.391","0.01","8.506","0.002","15.998","0.005","90","","107.195","0.005","90","","3821","2","293.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O7 -","- C40 H36 N4 O14 -","- C160 H144 N16 O56 -","4","0.5","","Borah, Pallabi; Naidu, P. Seetham; Majumder, Swarup; Bhuyan, Pulak J.","An efficient one-pot three-component reaction for the synthesis of novel functionalized pyrano[3,2-c]coumarins catalyzed by Na2CO3 in aqueous medium","RSC Advances","2013","3","43","20450","","10.1039/c3ra43484b","","","0.71075","MoKα","","","0.0653","","","","0.0569","","","","","","6.408","","","","has coordinates","244599","2020-10-21","18:00:00",""
"7239209","4.2876","0.0005","19.102","0.002","23.711","0.003","90","","90","","90","","1942","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","'4-(4-ethylphenyl)-2-phenyl-3-thioxo-2,3-dihydro-1H-pyrrolo[3,4-c] quinolin-1-one'","","- C25 H18 N2 O S -","- C25 H18 N2 O S -","- C100 H72 N8 O4 S4 -","4","1","","Avula, Sreenivas; Koppireddi, Satish; Komsani, Jayaram Reddy; Nanubolu, Jagadeesh Babu; Yadla, Rambabu","One-pot two-component tandem multiple transformations in the synthesis of N,4-diaryl-2,3-dihydropyrrolo[3,4-c]quinolin-1,3-diones and their 3-thioxo-analogues under neat conditions","RSC Advances","2013","3","43","20990","","10.1039/c3ra43489c","","","0.71073","MoKα","","0.0912","0.0867","","","0.1938","0.1965","","","","","","1.315","","","","has coordinates","244600","2020-10-21","18:00:00",""
"7239210","10.1432","0.0003","8.1265","0.0002","20.362","0.0006","90","","97.036","0.002","90","","1665.77","0.08","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","1","","Gharpure, Santosh J.; Sathiyanarayanan, A. M.; Vuram, Prasanna K.","Hetero Diels‒Alder reaction of olefin with o-quinone methides generated using (±)-binolphosphoric acid for the stereoselective synthesis of 2,4-diarylbenzopyrans: application to the formal synthesis of myristinin B/C","RSC Advances","2013","3","40","18279","","10.1039/c3ra43526a","","","0.71073","MoKα","","0.0959","0.055","","","0.1319","0.1551","","","","","","1.023","","","","has coordinates","244601","2020-10-21","18:00:00",""
"7239211","8.2985","0.0003","28.795","0.0011","9.4916","0.0003","90","","111.617","0.002","90","","2108.55","0.13","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 O5 -","- C25 H26 O5 -","- C100 H104 O20 -","4","1","","Gharpure, Santosh J.; Sathiyanarayanan, A. M.; Vuram, Prasanna K.","Hetero Diels‒Alder reaction of olefin with o-quinone methides generated using (±)-binolphosphoric acid for the stereoselective synthesis of 2,4-diarylbenzopyrans: application to the formal synthesis of myristinin B/C","RSC Advances","2013","3","40","18279","","10.1039/c3ra43526a","","","0.71073","MoKα","","0.1012","0.0518","","","0.1175","0.1384","","","","","","1.039","","","","has coordinates","244601","2020-10-21","18:00:00",""
"7239212","8.2911","0.0006","19.77","0.0018","17.1314","0.0014","90","","96.314","0.003","90","","2791.1","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 O6 -","- C32 H30 O6 -","- C128 H120 O24 -","4","1","","Gharpure, Santosh J.; Sathiyanarayanan, A. M.; Vuram, Prasanna K.","Hetero Diels‒Alder reaction of olefin with o-quinone methides generated using (±)-binolphosphoric acid for the stereoselective synthesis of 2,4-diarylbenzopyrans: application to the formal synthesis of myristinin B/C","RSC Advances","2013","3","40","18279","","10.1039/c3ra43526a","","","0.71073","MoKα","","0.0555","0.0376","","","0.0951","0.1083","","","","","","1.022","","","","has coordinates","244601","2020-10-21","18:00:00",""
"7239213","13.2722","0.0019","5.7365","0.0006","21.383","0.003","90","","103.844","0.004","90","","1580.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O -","- C21 H18 O -","- C84 H72 O4 -","4","1","","Gharpure, Santosh J.; Sathiyanarayanan, A. M.; Vuram, Prasanna K.","Hetero Diels‒Alder reaction of olefin with o-quinone methides generated using (±)-binolphosphoric acid for the stereoselective synthesis of 2,4-diarylbenzopyrans: application to the formal synthesis of myristinin B/C","RSC Advances","2013","3","40","18279","","10.1039/c3ra43526a","","","0.71073","MoKα","","0.091","0.052","","","0.1178","0.1388","","","","","","1.054","","","","has coordinates","244601","2020-10-21","18:00:00",""
"7239214","9.333","0.0004","9.5986","0.0004","14.6529","0.0007","107.576","0.002","92.267","0.002","90.024","0.002","1250.3","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 I O6 -","- C23.004 H20.004 I O6 -","- C46.008 H40.008 I2 O12 -","2","1","","Gharpure, Santosh J.; Sathiyanarayanan, A. M.; Vuram, Prasanna K.","Hetero Diels‒Alder reaction of olefin with o-quinone methides generated using (±)-binolphosphoric acid for the stereoselective synthesis of 2,4-diarylbenzopyrans: application to the formal synthesis of myristinin B/C","RSC Advances","2013","3","40","18279","","10.1039/c3ra43526a","","","0.71073","MoKα","","0.0691","0.06","","","0.1982","0.2301","","","","","","1.025","","","","has coordinates,has disorder","244601","2020-10-21","18:00:00",""
"7239215","15.458","0.0003","9.54826","0.00016","20.432","0.0004","90","","90","","90","","3015.7","0.1","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N4 O P -","- C16 H17 N4 O P -","- C128 H136 N32 O8 P8 -","8","1","","Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi","P-oxidation of gem-dicationic phosphines","RSC Advances","2013","3","43","20391","","10.1039/c3ra43563f","","","1.5418","CuKα","","0.031","0.0308","","0.0428","0.0427","0.0425","","","","","","0.9638","","","","has coordinates","244602","2020-10-21","18:00:00",""
"7239216","15.7038","0.0003","25.3224","0.0003","13.7018","0.0002","90","","107.623","0.0018","90","","5192.93","0.15","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 F6 N4 O6 P S2 -","- C20 H23 F6 N4 O6 P S2 -","- C160 H184 F48 N32 O48 P8 S16 -","8","2","","Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi","P-oxidation of gem-dicationic phosphines","RSC Advances","2013","3","43","20391","","10.1039/c3ra43563f","","","1.5418","CuKα","","0.0378","0.0334","","0.0356","0.0337","0.0337","","","","","","1.1819","","","","has coordinates","244602","2020-10-21","18:00:00",""
"7239217","11.3573","0.0002","12.6287","0.0003","10.6515","0.0002","90","","90","","90","","1527.72","0.05","180","","180","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H17 N4 P -","- C16 H17 N4 P -","- C64 H68 N16 P4 -","4","0.5","","Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi","P-oxidation of gem-dicationic phosphines","RSC Advances","2013","3","43","20391","","10.1039/c3ra43563f","","","0.71073","MoKα","","0.0354","0.0325","","0.0436","0.0422","0.042","","","","","","0.9987","","","","has coordinates","244602","2020-10-21","18:00:00",""
"7239218","10.2649","0.0003","12.1611","0.0004","12.7816","0.0004","81.178","0.002","71.935","0.002","72.878","0.002","1446.29","0.08","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H26 F6 N5 O7 P S2 -","- C22 H26 F6 N5 O7 P S2 -","- C44 H52 F12 N10 O14 P2 S4 -","2","1","","Maaliki, Carine; Canac, Yves; Lepetit, Christine; Duhayon, Carine; Chauvin, Remi","P-oxidation of gem-dicationic phosphines","RSC Advances","2013","3","43","20391","","10.1039/c3ra43563f","","","0.71073","MoKα","","0.0689","0.0418","","0.0612","0.0408","0.0379","","","","","","1.1243","","","","has coordinates","244602","2020-10-21","18:00:00",""
"7239221","25.957","0.006","11.995","0.003","23.968","0.005","90","","94.994","0.003","90","","7434","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 N4 O2 -","- C48 H38 N4 O2 -","- C384 H304 N32 O16 -","8","1","","Xia, Guomin; Wu, Zhiwei; Yuan, Yanli; Wang, Hongming","The regioselectivity and synthetic mechanism of 1,2-benzimidazole squaraines: combined experimental and theoretical studies","RSC Advances","2013","3","39","18055","","10.1039/c3ra43608j","","","0.71073","MoKα","","0.2049","0.1005","","","0.1617","0.2009","","","","","","1.08","","","","has coordinates","244604","2020-10-21","18:00:00",""
"7239222","7.536","0.0005","8.54","0.0006","15.3432","0.0011","74.7452","0.0007","77.1894","0.0008","83.1256","0.0008","926.97","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C44 H42 N2 O8 -","2","1","","Li, Yanqiu; Yang, Bingchuan; Sun, Yan; Wang, Huayi; Li, Huipeng; Fang, Shuai; Niu, Xiaoyi; Ma, Chen","A metal-free tandem cycloaddition strategy for the synthesis of indolizines from pyridine derivatives and γ-bromo-crotonates under mild conditions","RSC Advances","2013","3","44","21418","","10.1039/c3ra43613f","","","0.71069","MoKα","","0.0575","0.0399","","","0.0948","0.1048","","","","","","1.017","","","","has coordinates","244605","2020-10-21","18:00:00",""
"7239223","13.9994","0.0006","14.0662","0.0006","15.3078","0.0007","108.714","0.004","107.27","0.004","96.152","0.003","2657.2","0.2","140","2","140","2","","","","","","","","6","P 1","P 1","1","","","","- C73 H78 F24 N7 O10 P4 -","- C73 H78 F24 N7 O10 P4 -","- C73 H78 F24 N7 O10 P4 -","1","1","","Li, Jinying; Wei, Peifa; Wu, Xiujuan; Xue, Min; Yan, Xuzhou; Zhou, Qizhong","Taco complex-templated dynamic clipping to cryptand-based [2]rotaxane- and [2]catenane-type mechanically interlocked structures","RSC Advances","2013","3","44","21289","","10.1039/c3ra43629b","","","1.54184","CuKα","","0.0783","0.0717","","","0.1983","0.2111","","","","","","1.061","","","","has coordinates","244606","2020-10-21","18:00:00",""
"7239224","26.01","0.005","6.636","0.0013","7.5136","0.0015","90","","90","","90","","1296.9","0.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","coanp","2-(Cyclo-octylamino)-5-nitropyridine","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","1","","Aboulfadl, Hanane; Bonin, Michel; Burgner, Matthias; Brahimi, Khadidja; Hulliger, Jürg","Molecular recognition at growing crystal faces revealed by phase sensitive second harmonic microscopy","RSC Advances","2013","3","47","25145","","10.1039/c3ra43641a","","","1.54184","CuKα","","0.0325","0.0308","","","0.0808","0.0814","","","","","","1.165","","","","has coordinates","244607","2020-10-21","18:00:00",""
"7239225","13.3194","0.0011","8.1505","0.0007","27.37","0.002","90","","103.908","0.0012","90","","2884.2","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 S2 -","- C17 H18 S2 -","- C136 H144 S16 -","8","2","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0536","0.037","","","0.0843","0.0926","","","","","","1.059","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7239226","6.0477","0.0007","15.1049","0.0018","9.4034","0.0011","90","","93.9707","0.0016","90","","856.94","0.17","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 S4 -","- C14 H28 S4 -","- C28 H56 S8 -","2","0.5","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0296","0.0243","","","0.0628","0.0661","","","","","","1.066","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7239227","8.2277","0.0008","10.2736","0.001","11.2901","0.0011","90","","103.528","0.0015","90","","927.85","0.16","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H14 O S2 -","- C7 H14 O S2 -","- C28 H56 O4 S8 -","4","1","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0412","0.0305","","","0.076","0.081","","","","","","1.053","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7239228","8.1567","0.0006","6.6861","0.0005","12.7905","0.001","90","","97.2784","0.0011","90","","691.93","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H24 O S2 -","- C13 H24 O S2 -","- C26 H48 O2 S4 -","2","1","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0279","0.0263","","","0.0655","0.0665","","","","","","1.055","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7239229","8.1947","0.0005","9.7139","0.0006","19.6679","0.0011","90","","90","","90","","1565.61","0.16","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 O S2 -","- C14 H26 O S2 -","- C56 H104 O4 S8 -","4","1","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0274","0.0261","","","0.0707","0.0717","","","","","","1.08","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7239230","8.49","0.003","20.303","0.006","11.09","0.003","90","","90.152","0.005","90","","1911.6","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H30 O S2 -","- C20 H30 O S2 -","- C80 H120 O4 S8 -","4","2","","Fuchs, Christian; Edgar, Mark; Elsegood, Mark R. J.; Weaver, George W.","Studies on the double alkylation of 2,2-disubstituted-1,3-dithiacycloalkane-S-oxides: synthesis of tertiary thiol derivatives","RSC Advances","2013","3","44","21911","","10.1039/c3ra43688h","","","0.71073","MoKα","","0.0973","0.0793","","","0.203","0.2225","","","","","","1.081","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7239231","9.7769","0.0004","12.0198","0.0005","12.1405","0.0005","97.106","0.004","97.676","0.004","103.809","0.004","1354.99","0.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H82 Cl4 Hg2 N2 O2 P4 -","- C48 H82 Cl4 Hg2 N2 O2 P4 -","- C48 H82 Cl4 Hg2 N2 O2 P4 -","1","0.5","","Ghalib, Mohammed; Jones, Peter G.; Palm, Gottfried J.; Heinicke, Joachim W.","Phosphanyl-substituted π-excess σ2P heterocycles: Coordination behaviour of 2-di-tert-butylphosphanyl-1-neopentyl-1,3-benzazaphosphole towards CuCl, HgCl2 and [Rh(COD)2]BF4","RSC Advances","2013","3","39","17726","","10.1039/c3ra43706j","","","0.71073","MoKα","","0.0224","0.0193","","","0.041","0.0421","","","","","","1.043","","","","has coordinates","244609","2020-10-21","18:00:00",""
"7239232","10.70896","0.00015","18.337","0.0003","14.961","0.0002","90","","91.102","0.002","90","","2937.35","0.07","150","2","150","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 B F3 N O P2 Rh -","- C28 H46 B F3 N O P2 Rh -","- C112 H184 B4 F12 N4 O4 P8 Rh4 -","4","1","","Ghalib, Mohammed; Jones, Peter G.; Palm, Gottfried J.; Heinicke, Joachim W.","Phosphanyl-substituted π-excess σ2P heterocycles: Coordination behaviour of 2-di-tert-butylphosphanyl-1-neopentyl-1,3-benzazaphosphole towards CuCl, HgCl2 and [Rh(COD)2]BF4","RSC Advances","2013","3","39","17726","","10.1039/c3ra43706j","","","0.71073","MoKα","","0.0389","0.0313","","","0.0737","0.078","","","","","","1.049","","","","has coordinates","244609","2020-10-21","18:00:00",""
"7239233","11.9823","0.0006","8.3551","0.0004","17.551","0.0009","90","","104.948","0.002","90","","1697.63","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O2 S -","- C15 H14 N4 O2 S -","- C60 H56 N16 O8 S4 -","4","1","","Dandia, Anshu; Singh, Ruby; Joshi, Jyoti; Maheshwari, Shuchi; Soni, Pragya","Ultrasound promoted catalyst-free and selective synthesis of spiro[indole-3,4′-pyrazolo[3,4-e][1,4]thiazepines] in aqueous media and evaluation of their anti-hyperglycemic activity","RSC Advances","2013","3","41","18992","","10.1039/c3ra43745k","","","0.71073","MoKα","","0.0769","0.0735","","","0.2496","0.2592","","","","","","1.153","","","","has coordinates","244610","2020-10-21","18:00:00",""
"7239234","8.9355","0.0009","10.2534","0.0011","22.396","0.002","90","","90","","90","","2051.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O8 -","- C20 H22 O8 -","- C80 H88 O32 -","4","1","","Jiang, Min; Xiong, Bing; Shen, Yu-mei; Yang, Chunhao","Design, synthesis, and preliminary biological evaluation of novel ketone derivatives of shikimic acid","RSC Advances","2013","3","43","20599","","10.1039/c3ra43755h","","","0.71073","MoKα","","0.0511","0.0409","","","0.0916","0.0964","","","","","","0.985","","","","has coordinates","244611","2020-10-21","18:00:00",""
"7239235","7.3536","0.0015","7.5164","0.0015","9.6215","0.0019","74.24","0.03","78.39","0.03","78.91","0.03","495.97","0.19","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H10 O3 -","- C13 H10 O3 -","- C26 H20 O6 -","2","1","","Kapdi, Anant R.; Karbelkar, Amruta; Naik, Minal; Pednekar, Suhas; Fischer, Christian; Schulzke, Carola; Tromp, Moniek","Efficient synthesis of coumarin-based tetra and pentacyclic rings using phospha-palladacycles","RSC Advances","2013","3","43","20905","","10.1039/c3ra43821j","","","0.71073","MoKα","","0.0995","0.0558","","","0.1184","0.1416","","","","","","1.089","","","","has coordinates","244612","2020-10-21","18:00:00",""
"7239236","9.4706","0.0019","26.2","0.005","11.299","0.002","90","","95.64","0.03","90","","2790","0.9","170","2","170","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O5 -","- C18 H14 O5 -","- C144 H112 O40 -","8","2","","Kapdi, Anant R.; Karbelkar, Amruta; Naik, Minal; Pednekar, Suhas; Fischer, Christian; Schulzke, Carola; Tromp, Moniek","Efficient synthesis of coumarin-based tetra and pentacyclic rings using phospha-palladacycles","RSC Advances","2013","3","43","20905","","10.1039/c3ra43821j","","","0.71073","MoKα","","0.1175","0.0498","","","0.1135","0.1416","","","","","","0.95","","","","has coordinates","244612","2020-10-21","18:00:00",""
"7239237","6.8656","0.0014","12.618","0.003","13.593","0.003","90","","90","","90","","1177.6","0.5","170","2","170","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 O3 -","- C16 H10 O3 -","- C64 H40 O12 -","4","1","","Kapdi, Anant R.; Karbelkar, Amruta; Naik, Minal; Pednekar, Suhas; Fischer, Christian; Schulzke, Carola; Tromp, Moniek","Efficient synthesis of coumarin-based tetra and pentacyclic rings using phospha-palladacycles","RSC Advances","2013","3","43","20905","","10.1039/c3ra43821j","","","0.71073","MoKα","","0.0693","0.0469","","","0.1147","0.1276","","","","","","1.053","","","","has coordinates","244612","2020-10-21","18:00:00",""
"7239238","7.1648","0.0014","7.7947","0.0016","8.605","0.0017","74.65","0.03","80.31","0.03","82.76","0.03","455.13","0.17","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H7 F O3 -","- C12 H7 F O3 -","- C24 H14 F2 O6 -","2","1","","Kapdi, Anant R.; Karbelkar, Amruta; Naik, Minal; Pednekar, Suhas; Fischer, Christian; Schulzke, Carola; Tromp, Moniek","Efficient synthesis of coumarin-based tetra and pentacyclic rings using phospha-palladacycles","RSC Advances","2013","3","43","20905","","10.1039/c3ra43821j","","","0.71073","MoKα","","0.0687","0.0486","","","0.1293","0.1425","","","","","","1.063","","","","has coordinates","244612","2020-10-21","18:00:00",""
"7239239","10.8332","0.0008","10.9777","0.0008","10.9787","0.0008","93.999","0.001","107.303","0.001","116.927","0.001","1078.87","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 N O5 P S -","- C20 H26 N O5 P S -","- C40 H52 N2 O10 P2 S2 -","2","1","","Pallikonda, Gangaram; Chakravarty, Manab","Triflic acid mediated functionalization of α-hydroxyphosphonates: route for sulfonamide phosphonates","RSC Advances","2013","3","43","20503","","10.1039/c3ra43823f","","","0.71073","MoKα","","0.0538","0.0472","","","0.129","0.1353","","","","","","1.052","","","","has coordinates","244613","2020-10-21","18:00:00",""
"7239244","8.2841","0.0004","16.116","0.0008","26.3361","0.0014","90","","90","","90","","3516","0.3","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","4,5-diiodo-1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide","","- C8 H9 F6 I2 N3 O4 S2 -","- C8 H9 F6 I2 N3 O4 S2 -","- C64 H72 F48 I16 N24 O32 S16 -","8","1","","Mukai, Tomohiro; Nishikawa, Keiko","4,5-Dihaloimidazolium-based ionic liquids: effects of halogen-bonding on crystal structures and ionic conductivity","RSC Advances","2013","3","43","19952","","10.1039/c3ra43899f","","","0.71073","MoKα","","0.0466","0.0307","","","0.0654","0.0704","","","","","","1.024","","","","has coordinates","244616","2020-10-21","18:00:00",""
"7239245","9.6737","0.0005","13.8295","0.0008","13.7694","0.0008","90","","106.979","0.001","90","","1761.81","0.17","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4,5-dibromo-1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide","","- C8 H9 Br2 F6 N3 O4 S2 -","- C8 H9 Br2 F6 N3 O4 S2 -","- C32 H36 Br8 F24 N12 O16 S8 -","4","1","","Mukai, Tomohiro; Nishikawa, Keiko","4,5-Dihaloimidazolium-based ionic liquids: effects of halogen-bonding on crystal structures and ionic conductivity","RSC Advances","2013","3","43","19952","","10.1039/c3ra43899f","","","0.71073","MoKα","","0.0635","0.0374","","","0.0785","0.0853","","","","","","0.967","","","","has coordinates","244616","2020-10-21","18:00:00",""
"7239246","7.1562","0.0013","7.2456","0.0013","11.618","0.002","82.299","0.01","89.056","0.01","70.66","0.01","563.03","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 Cu N4 O14 -","- C16 H28 Cu N4 O14 -","- C16 H28 Cu N4 O14 -","1","0.5","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.048","0.043","","","0.1214","0.1244","","","","","","1.045","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239247","14.0765","0.0007","9.4805","0.0003","15.3959","0.0006","90","","116.278","0.005","90","","1842.29","0.15","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H44 Cu N6 O16 -","- C28 H44 Cu N6 O16 -","- C56 H88 Cu2 N12 O32 -","2","0.5","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.0687","0.0505","","","0.1402","0.1596","","","","","","0.955","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239248","6.6726","0.0004","10.795","0.001","12.0764","0.001","65.544","0.009","79.053","0.006","77.697","0.006","768.57","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cu N6 O12 -","- C32 H24 Cu N6 O12 -","- C32 H24 Cu N6 O12 -","1","0.5","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.078","0.0628","","","0.1779","0.1964","","","","","","0.922","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239249","9.0129","0.0015","12.6761","0.0017","13.0543","0.0012","113.147","0.011","90.103","0.011","105.573","0.013","1311.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Cu N4 O14 -","- C20 H32 Cu N4 O14 -","- C40 H64 Cu2 N8 O28 -","2","1","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.1014","0.0687","","","0.1635","0.202","","","","","","1.058","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239250","11.0057","0.0004","14.0625","0.0006","14.8817","0.0006","104.224","0.002","104.901","0.002","95.615","0.002","2125.4","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H84 Cu3 N12 O40 -","- C66 H84 Cu3 N12 O40 -","- C66 H84 Cu3 N12 O40 -","1","0.5","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.0647","0.045","","","0.1162","0.1277","","","","","","0.954","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239251","7.3437","0.0002","10.6541","0.0002","15.0967","0.0003","73.928","0.001","89.572","0.001","79.771","0.001","1115.88","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Cu N4 O10 -","- C19 H26 Cu N4 O10 -","- C38 H52 Cu2 N8 O20 -","2","1","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.0323","0.0281","","","0.0712","0.0776","","","","","","1.021","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239252","7.3979","0.0005","14.413","0.0008","15.7932","0.0009","75.612","0.005","82.51","0.005","78.59","0.005","1593.05","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H74 Cu3 N12 O36 -","- C50 H50 Cu3 N12 O36 -","- C50 H50 Cu3 N12 O36 -","1","0.5","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.0726","0.0504","","","0.1097","0.1281","","","","","","0.985","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239253","8.6201","0.0007","13.104","0.0007","13.3617","0.0013","107.296","0.007","108.463","0.008","97.992","0.006","1320.8","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Cu N4 O13 -","- C20 H34 Cu N4 O13 -","- C40 H68 Cu2 N8 O26 -","2","1","","Shankar, Krapa; Das, Babulal; Baruah, Jubaraj B.","Organic cations controlling the nuclearity of copper(ii) 2,5-pyridinedicarboxylates","RSC Advances","2013","3","48","26220","","10.1039/c3ra44008g","","","0.71073","MoKα","","0.0917","0.0597","","","0.162","0.2132","","","","","","0.831","","","","has coordinates","244617","2020-10-21","18:00:00",""
"7239254","11.2343","0.0001","6.0495","0.0001","11.3801","0.0001","90","","106.943","0.001","90","","739.843","0.016","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Br2 N4 S4 -","- C10 H4 Br2 N4 S4 -","- C20 H8 Br4 N8 S8 -","2","0.5","","Afjeh, Soofieh S.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","Optoelectronic and structural properties of a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines","RSC Advances","2013","3","45","23438","","10.1039/c3ra44044c","","","0.71073","MoKα","","0.0534","0.0397","","","0.0774","0.0817","","","","","","1.26","","","","has coordinates","244618","2020-10-21","18:00:00",""
"7239255","5.6375","0.0005","13.6973","0.0012","15.9263","0.0014","87.35","0.004","81.484","0.003","79.921","0.003","1197.22","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N4 S4 -","- C22 H30 N4 S4 -","- C44 H60 N8 S8 -","2","1","","Afjeh, Soofieh S.; Leitch, Alicea A.; Korobkov, Ilia; Brusso, Jaclyn L.","Optoelectronic and structural properties of a family of thiophene functionalized 1,5-dithia-2,4,6,8-tetrazocines","RSC Advances","2013","3","45","23438","","10.1039/c3ra44044c","","","0.71073","MoKα","","0.1392","0.0546","","","0.0831","0.0966","","","","","","1.069","","","","has coordinates,has disorder","244618","2020-10-21","18:00:00",""
"7239256","11.639","0.005","13.976","0.005","20.968","0.005","90","0.005","104.729","0.005","90","0.005","3299","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 N2 O4 -","- C40 H42 N2 O4 -","- C160 H168 N8 O16 -","4","1","","Mahajabeen, Pula; Chadha, Anju","A novel green route for the synthesis of N-phenylacetamides, benzimidazoles and acridinediones using Candida parapsilosis ATCC 7330","RSC Advances","2013","3","44","21972","","10.1039/c3ra44058c","","","0.71073","MoKα","","0.0668","0.0434","","","0.1162","0.1402","","","","","","1.062","","","","has coordinates","244619","2020-10-21","18:00:00",""
"7239259","9.415","0.007","14.394","0.01","15.1","0.01","90","","97.725","0.013","90","","2028","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N5 O5 S -","- C20 H19 N5 O5 S -","- C80 H76 N20 O20 S4 -","4","1","","Yu, Chengbin; Lyu, Hairong; Cai, Yan; Miao, Xinyu; Miao, Zhiwei","An environmentally benign approach for the synthesis of 3,3′-pyrrolidonyl spirooxindole derivatives via a cascade Knoevenagel‒Michael‒cyclization multicomponent reaction","RSC Advances","2013","3","41","18857","","10.1039/c3ra44119a","","","0.71073","MoKα","","0.0944","0.0615","","","0.1126","0.1233","","","","","","1.02","","","","has coordinates","244621","2020-10-21","18:00:00",""
"7239260","9.2228","0.0006","7.4537","0.0005","16.957","0.0012","90","","96.151","0.002","90","","1158.98","0.14","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N O6 -","- C27 H25 N O6 -","- C54 H50 N2 O12 -","2","1","","Qiu, Lin; Guo, Xin; Zhou, Jun; Liu, Shunying; Yang, Liping; Wu, Xiang; Hu, Wenhao","A stereoselective synthesis of fully substituted tetrahydrofurans through 1,3-dipolar cycloaddition with cinnamaldehydes: an easy access to chroman derivatives","RSC Advances","2013","3","43","20065","","10.1039/c3ra44123g","","","0.71073","MoKα","","0.0282","0.0273","","","0.0722","0.0731","","","","","","1.079","","","","has coordinates","244622","2020-10-21","18:00:00",""
"7239263","15.228","0.003","21.695","0.004","9.17","0.0018","90","","94.7","0.03","90","","3019.3","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H44 N3 -","- C33 H44 N3 -","- C132 H176 N12 -","4","1","","Wei, Liguo; Yang, Yulin; Fan, Ruiqing; Wang, Ping; Li, Liang; Yu, Jia; Yang, Bin; Cao, Wenwu","Enhance the performance of dye-sensitized solar cells by co-sensitization of 2,6-bis(iminoalkyl)pyridine and N719","RSC Advances","2013","3","48","25908","","10.1039/c3ra44194f","","","0.71073","MoKα","","0.1208","0.0607","","","0.1596","0.1845","","","","","","1.089","","","","has coordinates","244624","2020-10-21","18:00:00",""
"7239264","7.939","0.0008","12.3208","0.0013","25.998","0.003","90","","96.234","0.002","90","","2528","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H35 N3 -","- C29 H35 N3 -","- C116 H140 N12 -","4","1","","Wei, Liguo; Yang, Yulin; Fan, Ruiqing; Wang, Ping; Li, Liang; Yu, Jia; Yang, Bin; Cao, Wenwu","Enhance the performance of dye-sensitized solar cells by co-sensitization of 2,6-bis(iminoalkyl)pyridine and N719","RSC Advances","2013","3","48","25908","","10.1039/c3ra44194f","","","0.71073","MoKα","","0.1315","0.0574","","","0.0868","0.1012","","","","","","0.947","","","","has coordinates","244624","2020-10-21","18:00:00",""
"7239270","11.6092","0.0007","9.0436","0.0005","14.338","0.0008","90","","105.713","0.003","90","","1449.08","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Co3 N2 O14 -","- C28 H30 Co3 N2 O14 -","- C56 H60 Co6 N4 O28 -","2","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Parshamoni, Srinivasulu; Jena, Himanshu Sekhar; Konar, Sanjit","A 2D coordination polymer based on Co3-SBU showing spin-canting ferromagnetic behaviour","RSC Advances","2013","3","47","25237","","10.1039/c3ra44331k","","","0.71073","MoKα","","0.0324","0.0299","","","0.109","0.1113","","","","","","0.951","","","","has coordinates","244628","2020-10-21","18:00:00",""
"7239271","14.4216","0.0004","14.4216","0.0004","14.764","0.0008","90","","90","","90","","3070.7","0.2","273","2","273","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C10.25 H12 Cu N O5 -","- C10.25 H12 Cu N O5 -","- C82 H96 Cu8 N8 O40 -","8","1","","Yang, Weiting; Yi, Fei-Yan; Li, Xiao-Dong; Wang, Lei; Dang, Song; Sun, Zhong-Ming","Construction of Cu(ii) coordination polymers based on semi-rigid tetrahedral pyridine ligands","RSC Advances","2013","3","47","25065","","10.1039/c3ra44348e","","","0.71073","MoKα","","0.074","0.0488","","","0.1676","0.191","","","","","","1.06","","","","has coordinates","244629","2020-10-21","18:00:00",""
"7239272","11.5577","0.0009","15.1458","0.0012","15.1471","0.0012","85.08","0.002","86.468","0.002","74.596","0.002","2544.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H48 Cu2 N4 O14 -","- C53 H44 Cu2 N4 O14 -","- C106 H88 Cu4 N8 O28 -","2","1","","Yang, Weiting; Yi, Fei-Yan; Li, Xiao-Dong; Wang, Lei; Dang, Song; Sun, Zhong-Ming","Construction of Cu(ii) coordination polymers based on semi-rigid tetrahedral pyridine ligands","RSC Advances","2013","3","47","25065","","10.1039/c3ra44348e","","","0.71073","MoKα","","0.1252","0.0669","","","0.1527","0.1737","","","","","","0.918","","","","has coordinates","244629","2020-10-21","18:00:00",""
"7239273","9.5268","0.0006","9.5268","0.0006","23.401","0.003","90","","90","","90","","2123.9","0.3","273","2","273","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C6.25 H6 Cu0.25 N O1.5 -","- C6.25 H6 Cu0.25 N O1.5 -","- C50 H48 Cu2 N8 O12 -","8","1","","Yang, Weiting; Yi, Fei-Yan; Li, Xiao-Dong; Wang, Lei; Dang, Song; Sun, Zhong-Ming","Construction of Cu(ii) coordination polymers based on semi-rigid tetrahedral pyridine ligands","RSC Advances","2013","3","47","25065","","10.1039/c3ra44348e","","","0.71073","MoKα","","0.0624","0.0413","","","0.1038","0.1095","","","","","","0.969","","","","has coordinates","244629","2020-10-21","18:00:00",""
"7239279","7.628","0.007","19.796","0.018","21.5","0.02","90","","90","","90","","3247","5","100","1","100","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 B N2 O -","- C20 H21 B N2 O -","- C160 H168 B8 N16 O8 -","8","1","","Vanveller, Brett; Aronoff, Matthew R.; Raines, Ronald T.","A Divalent Protecting Group for Benzoxaboroles.","RSC advances","2013","44","3","21331","21334","10.1039/C3RA44385J","","","0.71073","MoKα","","0.0748","0.0495","","","0.1127","0.1272","","","","","","1.054","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7239280","20.471","0.014","3.8634","0.0016","12.536","0.007","90","","101.42","0.07","90","","971.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","none","5-amino-1-(4-bromophenyl)-1H-1,2,3-triazole-4-carbonitrile","","- C9 H6 Br N5 -","- C9 H6 Br N5 -","- C36 H24 Br4 N20 -","4","1","","Singh, Harjinder; Sindhu, Jayant; Khurana, Jitender M.","Synthesis of biologically as well as industrially important 1,4,5-trisubstituted-1,2,3-triazoles using a highly efficient, green and recyclable DBU‒H2O catalytic system","RSC Advances","2013","3","44","22360","","10.1039/c3ra44440f","","","0.71073","MoKα","","0.0786","0.0575","","","0.1433","0.1641","","","","","","0.973","","","","has coordinates","244632","2020-10-21","18:00:00",""
"7239281","8.746","0.014","9.852","0.015","16.48","0.03","104.013","0.015","99.76","0.015","90.639","0.015","1356","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H26 F2 O -","- C37 H26 F2 O -","- C74 H52 F4 O2 -","2","1","","He, Ting; Gao, Pin; Qiu, Yi-Feng; Yan, Xiao-Biao; Liu, Xue-Yuan; Liang, Yong-Min","Gold-catalyzed intermolecular reaction of 2-(1-alkynyl)-2-alken-1-ones with diarylethenes to construct polysubstituted cyclopenta[c]furans through a cascade heterocyclization/[3+2] cycloaddition sequence","RSC Advances","2013","3","43","19913","","10.1039/c3ra44467h","","","0.71073","MoKα","","0.1697","0.1342","","","0.3953","0.4136","","","","","","1.075","","","","has coordinates","244633","2020-10-21","18:00:00",""
"7239282","8.2658","0.0004","15.6654","0.0007","12.7267","0.0006","90","","107.505","0.002","90","","1571.63","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F N2 O2 -","- C18 H16 F N2 O2 -","- C72 H64 F4 N8 O8 -","4","1","","Sathesh, Venkatesan; Sathishkumar, Munusamy; Ramachandran, Gunasekar; Rathore, Ravindranath S.; Sathiyanarayanan, Kulathu Iyer","A green approach for the one-pot multi-component synthesis of N-substituted γ, δ and ε-lactams involving C‒N bond formation catalyzed by FeCl3","RSC Advances","2013","3","45","23035","","10.1039/c3ra44472d","","","0.71073","MoKα","","0.0854","0.0588","","","0.1738","0.2014","","","","","","1.044","","","","has coordinates","244634","2020-10-21","18:00:00",""
"7239289","10.9071","0.0017","8.843","0.0014","19.865","0.003","90","","101.897","0.003","90","","1874.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H53 N3 O13 -","- C32 H53 N3 O13 -","- C64 H106 N6 O26 -","2","1","","Pawar, Sachin A.; Jabgunde, Amit M.; Petzold, Katja; Maguire, Glenn E. M.; Dhavale, Dilip D.; Kruger, Hendrik G.; Govender, Thavendran","Investigation and folding pattern of l-ido and d-gluco peptides by EASY ROESY NMR and X-ray","RSC Advances","2013","3","45","23355","","10.1039/c3ra44542a","","","0.71073","MoKα","","0.0709","0.0429","","","0.0996","0.1126","","","","","","0.992","","","","has coordinates","244638","2020-10-21","18:00:00",""
"7239290","41.043","0.008","5.0993","0.001","16.334","0.003","90","","90","","90","","3418.6","1.1","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C32 H49 N3 O10 -","- C32 H49 N3 O10 -","- C128 H196 N12 O40 -","4","1","","Pawar, Sachin A.; Jabgunde, Amit M.; Petzold, Katja; Maguire, Glenn E. M.; Dhavale, Dilip D.; Kruger, Hendrik G.; Govender, Thavendran","Investigation and folding pattern of l-ido and d-gluco peptides by EASY ROESY NMR and X-ray","RSC Advances","2013","3","45","23355","","10.1039/c3ra44542a","","","0.71073","MoKα","","0.0641","0.0541","","","0.1699","0.2","","","","","","1.106","","","","has coordinates","244638","2020-10-21","18:00:00",""
"7239291","9.2847","0.0014","19.642","0.003","27.419","0.004","90","","90","","90","","5000.4","1.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 N O8.5 -","- C24 H29 N O8.5 -","- C192 H232 N8 O68 -","8","2","","Pawar, Sachin A.; Jabgunde, Amit M.; Petzold, Katja; Maguire, Glenn E. M.; Dhavale, Dilip D.; Kruger, Hendrik G.; Govender, Thavendran","Investigation and folding pattern of l-ido and d-gluco peptides by EASY ROESY NMR and X-ray","RSC Advances","2013","3","45","23355","","10.1039/c3ra44542a","","","0.71073","MoKα","","0.1316","0.0559","","","0.1155","0.1425","","","","","","0.958","","","","has coordinates","244638","2020-10-21","18:00:00",""
"7239299","8.4087","0.0009","17.6504","0.0018","19.4816","0.0019","90","","96.184","0.002","90","","2874.6","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 N2 O4 -","- C32 H38 N2 O4 -","- C128 H152 N8 O16 -","4","0.5","","Li, Ende; Cheng, Xingcan; Wang, Chengyu; Sun, Xia; Li, Yanzhong","Copper-catalyzed synthesis of 1,2,4-trisubstituted pyrroles via cascade reactions of aryloxy-enynes with amines","RSC Advances","2013","3","45","22872","","10.1039/c3ra44595j","","","0.71073","MoKα","","0.0585","0.046","","","0.1217","0.1312","","","","","","1.048","","","","has coordinates","244641","2020-10-21","18:00:00",""
"7239300","5.476","0.0011","5.215","0.001","33.117","0.007","90","","94.12","0.01","90","","943.3","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 O5 P -","- C8 H9 O5 P -","- C32 H36 O20 P4 -","4","1","","Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy","Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions","RSC Advances","2013","3","45","23119","","10.1039/c3ra44614j","","","0.71073","MoKα","","0.0572","0.0334","","","0.0696","0.0771","","","","","","1.002","","","","has coordinates","244643","2020-10-21","18:00:00",""
"7239301","16.6389","0.0022","7.1141","0.0012","9.104","0.0017","90","","95.46","0.01","90","","1072.8","0.3","295","2","295","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C16 H22 Ca O13 P2 -","- C16 H22 Ca O13 P2 -","- C32 H44 Ca2 O26 P4 -","2","0.5","","Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy","Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions","RSC Advances","2013","3","45","23119","","10.1039/c3ra44614j","","","0.71073","MoKα","","0.0961","0.0392","","","0.0586","0.0689","","","","","","1.001","","","","has coordinates","244643","2020-10-21","18:00:00",""
"7239302","5.3149","0.0011","5.7684","0.0012","16.702","0.003","92.08","0.01","90.42","0.01","93.12","0.02","510.94","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Ca O12 P2 -","- C16 H20 Ca O12 P2 -","- C16 H20 Ca O12 P2 -","1","0.5","","Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy","Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions","RSC Advances","2013","3","45","23119","","10.1039/c3ra44614j","","","0.71073","MoKα","","0.0592","0.0299","","","0.0583","0.0622","","","","","","1.001","","","","has coordinates","244643","2020-10-21","18:00:00",""
"7239303","4.9848","0.001","6.5942","0.0013","22.857","0.005","85.39","0.01","84.54","0.01","85.06","0.02","743.2","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H32 Ca N2 O14 P2 -","- C26 H32 Ca N2 O14 P2 -","- C26 H32 Ca N2 O14 P2 -","1","0.5","","Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy","Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions","RSC Advances","2013","3","45","23119","","10.1039/c3ra44614j","","","0.71073","MoKα","","0.1539","0.0795","","","0.1531","0.1689","","","","","","1.009","","","","has coordinates","244643","2020-10-21","18:00:00",""
"7239304","17.908","0.004","4.7119","0.0009","17.201","0.003","90","","115.94","0.01","90","","1305.2","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O5 P -","- C13 H13 N O5 P -","- C52 H52 N4 O20 P4 -","4","1","","Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy","Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions","RSC Advances","2013","3","45","23119","","10.1039/c3ra44614j","","","0.71073","MoKα","","0.1461","0.0495","","","0.0533","0.0589","","","","","","1.001","","","","has coordinates","244643","2020-10-21","18:00:00",""
"7239305","22.995","0.005","11.763","0.002","9.298","0.0019","90","","96.14","0.01","90","","2500.6","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H13 N O5 P -","- C13 H13 N O5 P -","- C104 H104 N8 O40 P8 -","8","1","","Dobrzyńska, Danuta; Kubiak, Joanna; Janczak, Jan; Zoń, Jerzy","Supramolecular networks formation in crystals of 3-carboxybenzylphosphonic acid, its complexes and salts: from coordination bonds to weak intermolecular interactions","RSC Advances","2013","3","45","23119","","10.1039/c3ra44614j","","","0.71073","MoKα","","0.0473","0.0318","","","0.079","0.0913","","","","","","1.001","","","","has coordinates","244643","2020-10-21","18:00:00",""
"7239308","12.8233","0.0009","16.9231","0.0015","9.0073","0.0006","90","","90","","90","","1954.7","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H26 N2 -","- C24 H26 N2 -","- C96 H104 N8 -","4","1","","Shelke, Ganesh M.; Rao, V. Kameshwara; Tiwari, Rakesh K.; Chhikara, Bhupender S.; Parang, Keykavous; Kumar, Anil","Bismuth triflate-catalyzed condensation of indoles with acetone","RSC Advances","2013","3","44","22346","","10.1039/c3ra44693j","","","0.71073","MoKα","","0.1091","0.0757","","","0.1575","0.2001","","","","","","1.098","","","","has coordinates","244645","2020-10-21","18:00:00",""
"7239310","9.6811","0.0007","14.0805","0.0011","18.2882","0.0014","67.492","0.004","88.996","0.004","83.445","0.004","2287.1","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H0 N O -","- C30 H26 N O -","- C120 H104 N4 O4 -","4","2","","Guo, Zhi-Wei; Huang, Xiao; Mao, Jia-Min; Zhu, Wei-Dong; Xie, Jian-Wu","Diastereoselective synthesis of polysubstituted Δ1-pyrroline derivatives from in situ generated nitrile ylides","RSC Advances","2013","3","47","25103","","10.1039/c3ra44736g","","","0.71073","MoKα","","0.137","0.0586","","","0.1536","0.2011","","","","","","0.955","","","","has coordinates","244647","2020-10-21","18:00:00",""
"7239311","8.744","0.0002","16.3482","0.0003","13.175","0.0003","90","","96.694","0.001","90","","1870.51","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N0.33 O0.33 -","- C8 H7 N0.333333 O0.333333 -","- C96 H84 N4 O4 -","12","3","","Guo, Zhi-Wei; Huang, Xiao; Mao, Jia-Min; Zhu, Wei-Dong; Xie, Jian-Wu","Diastereoselective synthesis of polysubstituted Δ1-pyrroline derivatives from in situ generated nitrile ylides","RSC Advances","2013","3","47","25103","","10.1039/c3ra44736g","","","0.71073","MoKα","","0.0681","0.0451","","","0.1157","0.1287","","","","","","1.077","","","","has coordinates","244647","2020-10-21","18:00:00",""
"7239312","9.277","0.0003","9.277","0.0003","34.749","0.003","90","","90","","120","","2589.9","0.3","296","2","296","2","","","","","","","","4","P 32","P 32","145","","","","- C7.94 H6.53 N0.35 O0.18 -","- C7.94118 H6.52941 N0.352941 O0.176471 -","- C135 H111 N6 O3 -","17","5.66667","","Guo, Zhi-Wei; Huang, Xiao; Mao, Jia-Min; Zhu, Wei-Dong; Xie, Jian-Wu","Diastereoselective synthesis of polysubstituted Δ1-pyrroline derivatives from in situ generated nitrile ylides","RSC Advances","2013","3","47","25103","","10.1039/c3ra44736g","","","0.71073","MoKα","","0.1998","0.0596","","","0.1175","0.1684","","","","","","0.921","","","","has coordinates","244647","2020-10-21","18:00:00",""
"7239313","39.108","0.004","8.1605","0.0008","16.4308","0.0015","90","","111.789","0.008","90","","4869.1","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H24 Cl N O S -","- C30.5 H24 Cl N O S -","- C244 H192 Cl8 N8 O8 S8 -","8","1","","Guo, Zhi-Wei; Huang, Xiao; Mao, Jia-Min; Zhu, Wei-Dong; Xie, Jian-Wu","Diastereoselective synthesis of polysubstituted Δ1-pyrroline derivatives from in situ generated nitrile ylides","RSC Advances","2013","3","47","25103","","10.1039/c3ra44736g","","","0.71073","MoKα","","0.0767","0.0463","","","0.1272","0.1416","","","","","","1.125","","","","has coordinates","244647","2020-10-21","18:00:00",""
"7239314","15.8108","0.0005","12.3955","0.0003","17.2329","0.0004","90","","103.966","0.003","90","","3277.51","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H15 Fe3 O8 P Se2 -","- C32 H15 Fe3 O8 P Se2 -","- C128 H60 Fe12 O32 P4 Se8 -","4","1","","Mathur, Pradeep; Rai, Dhirendra K.; Ji, Radhe Shyam; Pathak, Biswarup; Boodida, Sathyanarayana; Mobin, Shaikh M.","Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine ligated chalcogen bridged iron carbonyl clusters","RSC Advances","2013","3","48","26025","","10.1039/c3ra44788j","","","0.71073","MoKα","","0.0765","0.0322","","","0.052","0.0562","","","","","","0.745","","","","has coordinates","244648","2020-10-21","18:00:00",""
"7239315","13.5732","0.0002","14.7934","0.0004","23.9691","0.0004","93.64","0.002","102.402","0.001","113.657","0.002","4244.84","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C86 H54 Cl6 Fe9 O8 P2 Te2 -","- C86 H54 Cl6 Fe9 O8 P2 Te2 -","- C172 H108 Cl12 Fe18 O16 P4 Te4 -","2","1","","Mathur, Pradeep; Rai, Dhirendra K.; Ji, Radhe Shyam; Pathak, Biswarup; Boodida, Sathyanarayana; Mobin, Shaikh M.","Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine ligated chalcogen bridged iron carbonyl clusters","RSC Advances","2013","3","48","26025","","10.1039/c3ra44788j","","","0.71073","MoKα","","0.0481","0.0361","","","0.0979","0.1008","","","","","","1.055","","","","has coordinates","244648","2020-10-21","18:00:00",""
"7239316","13.2129","0.0004","13.5675","0.0005","16.7696","0.0004","69.22","0.003","79.805","0.002","67.923","0.003","2601.28","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H30 Fe3 O7 P2 Te2 -","- C55 H30 Fe3 O7 P2 Te2 -","- C110 H60 Fe6 O14 P4 Te4 -","2","1","","Mathur, Pradeep; Rai, Dhirendra K.; Ji, Radhe Shyam; Pathak, Biswarup; Boodida, Sathyanarayana; Mobin, Shaikh M.","Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine ligated chalcogen bridged iron carbonyl clusters","RSC Advances","2013","3","48","26025","","10.1039/c3ra44788j","","","0.71073","MoKα","","0.1484","0.0816","","","0.2286","0.33","","","","","","1.215","","","","has coordinates","244648","2020-10-21","18:00:00",""
"7239317","13.766","0.0008","34.2279","0.0015","16.4303","0.0008","90","","103.375","0.005","90","","7531.7","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H54 Fe9 O7 P2 Se2 -","- C79 H54 Fe9 O7 P2 Se2 -","- C316 H216 Fe36 O28 P8 Se8 -","4","1","","Mathur, Pradeep; Rai, Dhirendra K.; Ji, Radhe Shyam; Pathak, Biswarup; Boodida, Sathyanarayana; Mobin, Shaikh M.","Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine ligated chalcogen bridged iron carbonyl clusters","RSC Advances","2013","3","48","26025","","10.1039/c3ra44788j","","","0.71073","MoKα","","0.1778","0.1017","","","0.25","0.3051","","","","","","1.012","","","","has coordinates","244648","2020-10-21","18:00:00",""
"7239318","13.6063","0.0009","15.1594","0.0009","21.7386","0.0014","90","","104.529","0.007","90","","4340.5","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H27 Fe6 O8 P Se2 -","- C44 H27 Fe6 O8 P Se2 -","- C176 H108 Fe24 O32 P4 Se8 -","4","1","","Mathur, Pradeep; Rai, Dhirendra K.; Ji, Radhe Shyam; Pathak, Biswarup; Boodida, Sathyanarayana; Mobin, Shaikh M.","Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine ligated chalcogen bridged iron carbonyl clusters","RSC Advances","2013","3","48","26025","","10.1039/c3ra44788j","","","0.71073","MoKα","","0.0505","0.0283","","","0.0554","0.0583","","","","","","0.85","","","","has coordinates","244648","2020-10-21","18:00:00",""
"7239319","13.3152","0.001","13.5992","0.001","16.6909","0.0016","69.687","0.008","79.78","0.007","67.006","0.007","2606.1","0.4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H30 Fe3 O7 P2 Se2 -","- C55 H30 Fe3 O7 P2 Se2 -","- C110 H60 Fe6 O14 P4 Se4 -","2","1","","Mathur, Pradeep; Rai, Dhirendra K.; Ji, Radhe Shyam; Pathak, Biswarup; Boodida, Sathyanarayana; Mobin, Shaikh M.","Structural and electrochemical aspects of tris(ferrocenyl/phenyl-ethynyl)phosphine ligated chalcogen bridged iron carbonyl clusters","RSC Advances","2013","3","48","26025","","10.1039/c3ra44788j","","","","","","0.109","","","","","","","","","","","","","","","has coordinates","244648","2020-10-21","18:00:00",""
"7239321","4.882","0.005","28.92","0.03","9.203","0.01","90","","94.85","0.03","90","","1295","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl N O -","- C16 H12 Cl N O -","- C64 H48 Cl4 N4 O4 -","4","1","","Li, Jian; Ding, Dong; Liu, Li; Sun, Jiangtao","CuI-catalyzed cross-coupling of diazoacetamide with terminal alkynes: an approach to synthesizing substituted dienamides and 3-butynamides","RSC Advances","2013","3","44","21260","","10.1039/c3ra44801k","","","0.71073","MoKα","","0.0974","0.0466","","","0.1208","0.1553","","","","","","0.832","","","","has coordinates","244650","2020-10-21","18:00:00",""
"7239327","11.2921","0.0006","18.9103","0.0013","11.3518","0.0008","90","","96.286","0.004","90","","2409.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N6 -","- C27 H30 N6 -","- C108 H120 N24 -","4","1","","Wezenberg, Sander J.; Ferroni, Fiammetta; Pieraccini, Silvia; Schweizer, W. Bernd; Ferrarini, Alberta; Spada, Gian Piero; Diederich, François","Effective cholesteric liquid crystal inducers based on axially chiral alleno-acetylenes","RSC Advances","2013","3","45","22845","","10.1039/c3ra44883e","","","0.71073","MoKα","","0.1081","0.0494","","","0.0911","0.1101","","","","","","0.985","","","","has coordinates","244654","2020-10-21","18:00:00",""
"7239328","5.8859","0.0005","27.177","0.002","18.4902","0.0014","90","","94.2","0.003","90","","2949.8","0.4","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C39 H36 -","- C39 H36 -","- C156 H144 -","4","2","","Wezenberg, Sander J.; Ferroni, Fiammetta; Pieraccini, Silvia; Schweizer, W. Bernd; Ferrarini, Alberta; Spada, Gian Piero; Diederich, François","Effective cholesteric liquid crystal inducers based on axially chiral alleno-acetylenes","RSC Advances","2013","3","45","22845","","10.1039/c3ra44883e","","","0.71073","MoKα","","0.0756","0.0453","","","0.0867","0.0976","","","","","","0.996","","","","has coordinates","244654","2020-10-21","18:00:00",""
"7239331","5.6921","0.0002","13.3051","0.0005","13.9862","0.0006","64.365","0.004","80.711","0.003","86.393","0.003","942.42","0.07","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C19 H20 Cu N O5 P2 -","- C19 H20 Cu N O5 P2 -","- C38 H40 Cu2 N2 O10 P4 -","2","1","","Taddei, Marco; Ienco, Andrea; Costantino, Ferdinando; Guerri, Annalisa","Supramolecular interactions impacting on the water stability of tubular metal‒organic frameworks","RSC Advances","2013","3","48","26177","","10.1039/c3ra44910f","","x-ray","1.5418","CuKα","","0.0626","0.0365","","","0.0875","0.0983","","","","","","1.004","","","","has coordinates","244657","2020-10-21","18:00:00",""
"7239332","5.7631","0.0003","13.0859","0.0008","13.6759","0.0007","67.345","0.005","81.812","0.005","89.757","0.005","940.64","0.1","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C19 H20 Co N O5 P2 -","- C19 H20 Co N O5 P2 -","- C38 H40 Co2 N2 O10 P4 -","2","1","","Taddei, Marco; Ienco, Andrea; Costantino, Ferdinando; Guerri, Annalisa","Supramolecular interactions impacting on the water stability of tubular metal‒organic frameworks","RSC Advances","2013","3","48","26177","","10.1039/c3ra44910f","","x-ray","0.71069","MoKα","","0.0891","0.042","","","0.0676","0.0746","","","","","","0.84","","","","has coordinates","244657","2020-10-21","18:00:00",""
"7239333","33.046","0.0013","13.284","0.0005","22.963","0.0009","90","","116.035","0.002","90","","9057.5","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C188 H168 Cu4 N20 O40 -","- C188 H168 Cu4 N20 O40 -","- C376 H336 Cu8 N40 O80 -","2","0.25","","Wills, Kathryn A.; Mandujano-Ramírez, Humberto J.; Merino, Gabriel; Mattia, Davide; Hewat, Tracy; Robertson, Neil; Oskam, Gerko; Jones, Matthew D.; Lewis, Simon E.; Cameron, Petra J.","Investigation of a copper(i) biquinoline complex for application in dye-sensitized solar cells","RSC Advances","2013","3","45","23361","","10.1039/c3ra44936j","","","0.71073","MoKα","","0.1063","0.07","","","0.1692","0.193","","","","","","1.072","","","","has coordinates,has disorder","244658","2020-10-21","18:00:00",""
"7239348","9.65","0.005","12.313","0.007","17.436","0.01","87.08","0.04","76.79","0.03","87.47","0.03","2013.2","1.9","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H72 Cl8 Mn4 N16 O3 -","- C73 H72 Cl8 Mn4 N16 O3 -","- C73 H72 Cl8 Mn4 N16 O3 -","1","0.5","","Gobeze, Worku A.; Brooker, Sally","Two distinct tetranuclear motifs, rectangular vs. extended, are observed for complexes of a bis-tetradentate pyrimidine-based ligand","RSC Advances","2013","3","46","24307","","10.1039/c3ra45091k","","","0.71073","MoKα","","0.2197","0.1191","","","0.2866","0.3486","","","","","","1.021","","","","has coordinates,has disorder","244663","2020-10-21","18:00:00",""
"7239349","11.916","0.0015","12.3755","0.0014","15.7457","0.0019","77.888","0.004","73.973","0.003","83.045","0.003","2177.1","0.5","89","2","89","2","","","","","","","","6","P -1","-P 1","2","","","","- C78.4 H94.6 Cl8 N16 Ni4 O6.9 -","- C78.4 H94.6 Cl8 N16 Ni4 O6.9 -","- C78.4 H94.6 Cl8 N16 Ni4 O6.9 -","1","0.5","","Gobeze, Worku A.; Brooker, Sally","Two distinct tetranuclear motifs, rectangular vs. extended, are observed for complexes of a bis-tetradentate pyrimidine-based ligand","RSC Advances","2013","3","46","24307","","10.1039/c3ra45091k","","","0.71073","MoKα","","0.1397","0.0735","","","0.1977","0.2324","","","","","","1.063","","","","has coordinates,has disorder","244663","2020-10-21","18:00:00",""
"7239350","12.727","0.004","13.733","0.002","13.977","0.002","118.696","0.008","99.214","0.012","98.49","0.012","2042.9","0.8","92","2","92","2","","","","","","","","6","P -1","-P 1","2","","","","- C73 H79 Cl8 Cu4 N16 O4.5 -","- C73 H79 Cl8 Cu4 N16 O4.5 -","- C73 H79 Cl8 Cu4 N16 O4.5 -","1","0.5","","Gobeze, Worku A.; Brooker, Sally","Two distinct tetranuclear motifs, rectangular vs. extended, are observed for complexes of a bis-tetradentate pyrimidine-based ligand","RSC Advances","2013","3","46","24307","","10.1039/c3ra45091k","","","0.71073","MoKα","","0.0671","0.057","","","0.1667","0.1752","","","","","","1.092","","","","has coordinates,has disorder","244663","2020-10-21","18:00:00",""
"7239362","5.0932","0.0006","11.5499","0.0014","16.654","0.002","92.331","0.01","93.567","0.01","101.183","0.01","957.8","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","4-((4-hydroxy-3-(piperidin-1-ylmethyl)naphthalen-1-yl)diazenyl)benzonitrile","","- C23 H22 N4 O -","- C23 H22 N4 O -","- C46 H44 N8 O2 -","2","1","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism ‒ switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","1.54186","CuKα","","0.0736","0.0511","","","0.1277","0.1454","","","","","","1.047","","","","has coordinates","244670","2020-10-21","18:00:00",""
"7239363","15.6608","0.0009","12.611","0.0005","11.6097","0.0007","90","","108.592","0.004","90","","2173.2","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-cyanophenylazo-4-naphthol-piperidinium perchlorate","1-((4-(2-(4-cyanophenyl)hydrazono)-1-oxo-1, 4-dihydronaphthalen-2-yl)methyl)piperidin-1-ium perchlorate","","- C23 H23 Cl N4 O5 -","- C23 H23 Cl N4 O5 -","- C92 H92 Cl4 N16 O20 -","4","1","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism ‒ switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","0.71073","MoKα","","0.0588","0.0368","","","0.093","0.099","","","","","","0.971","","","","has coordinates","244670","2020-10-21","18:00:00",""
"7239364","16.448","0.005","6.722","0.005","23.296","0.005","90","0.005","110.275","0.005","90","0.005","2416","2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-((4-(2-(4-cyanophenyl)hydrazono)-1-oxo-1,4 -dihydronaphthalen-2-yl)methyl)piperidin-1-ium hydrogensulfate methanol solvate","","- C24 H28 N4 O6 S -","- C24 H28 N4 O6 S -","- C96 H112 N16 O24 S4 -","4","1","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism ‒ switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","0.71073","MoKα","","0.1405","0.0637","","","0.1436","0.1708","","","","","","0.872","","","","has coordinates","244670","2020-10-21","18:00:00",""
"7239365","5.2175","0.0007","10.7215","0.0016","17.295","0.003","82.197","0.012","81.572","0.012","89.056","0.012","948.2","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","4-((4-nitrophenyl)diazenyl)-2-(piperidin-1-ylmethyl)naphthalen-1-ol","","- C22 H22 N4 O3 -","- C22 H22 N4 O3 -","- C44 H44 N8 O6 -","2","1","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism ‒ switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","0.71073","MoKα","","0.1476","0.0605","","","0.153","0.1832","","","","","","0.842","","","","has coordinates","244670","2020-10-21","18:00:00",""
"7239366","15.4219","0.0007","12.5442","0.0005","11.5782","0.0005","90","","107.116","0.003","90","","2140.66","0.16","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-nitrophenylazo-4-naphthol-piperidinium perchlorate","(Z)-1-((4-(2-(4-nitrophenyl)hydrazono)-1-oxo-1, 4-dihydronaphthalen-2-yl)methyl)piperidin-1-ium perchlorate","","- C22 H23 Cl N4 O7 -","- C22 H23 Cl N4 O7 -","- C88 H92 Cl4 N16 O28 -","4","1","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism ‒ switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","0.71073","MoKα","","0.0661","0.0541","","","0.1602","0.1671","","","","","","1.085","","","","has coordinates","244670","2020-10-21","18:00:00",""
"7239367","7.498","0.005","21.404","0.005","13.732","0.005","90","","91.611","0.005","90","","2202.9","1.8","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-((4-(2-(4-nitrophenyl)hydrazono)-1-oxo-1,4-dihydronaphthalen-2-yl) methyl)piperidin-1-ium hydrogensulfate'","","- C22 H24 N4 O7 S -","- C22 H24 N4 O7 S -","- C88 H96 N16 O28 S4 -","4","2","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism ‒ switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","0.71073","MoKα","","0.082","0.0493","","","0.1189","0.1325","","","","","","0.915","","","","has coordinates","244670","2020-10-21","18:00:00",""
"7239368","6.9584","0.0006","12.8269","0.0011","13.1334","0.0011","76.183","0.007","85.273","0.007","86.982","0.007","1133.77","0.17","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","'diaqua 1-((4-(2-(4-nitrophenyl)hydrazono)-1-oxo-1,4-dihydronaphthalen-2-yl) methyl)piperidin-1-ium chloride'","","- C22 H27 Cl N4 O5 -","- C22 H27 Cl N4 O5 -","- C44 H54 Cl2 N8 O10 -","2","1","","Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M.","Controlled tautomerism ‒ switching caused by an “underground” anionic effect","RSC Advances","2013","3","47","25410","","10.1039/c3ra45326j","","x-ray","0.71073","MoKα","","0.0618","0.0362","","","0.0859","0.0927","","","","","","0.964","","","","has coordinates","244670","2020-10-21","18:00:00",""
"7239395","7.2917","0.0015","10.673","0.002","15.371","0.003","81.46","0.004","87.501","0.004","82.96","0.004","1173.7","0.4","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H24 N2 O8 -","- C27 H24 N2 O8 -","- C54 H48 N4 O16 -","2","1","","Wu, Tao; Zhang, Xiao-Peng; You, Xiao-Zeng","Stereo-chemical analysis of racemization of a chiral bipyridine","RSC Advances","2013","3","48","26047","","10.1039/c3ra45645e","","","0.71073","MoKα","","0.0864","0.0766","","","0.1765","0.18","","","","","","1.222","","","","has coordinates","244678","2020-10-21","18:00:00",""
"7239408","39.423","0.0014","11.962","0.0004","18.996","0.0004","90","","106.61","0.002","90","","8584.3","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C464 H352 N16 O16 -","8","1","","Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin","Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure","RSC Advances","2013","3","48","25758","","10.1039/c3ra45849k","","","0.71073","MoKα","","0.0577","0.0391","","","0.0919","0.1008","","","","","","1.023","","","","has coordinates","244688","2020-10-21","18:00:00",""
"7239409","16.6293","0.0005","11.5306","0.0002","22.3729","0.0006","90","","95.23","0.001","90","","4272.05","0.19","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H44 N2 O2 -","- C58 H44 N2 O2 -","- C232 H176 N8 O8 -","4","1","","Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin","Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure","RSC Advances","2013","3","48","25758","","10.1039/c3ra45849k","","","0.71073","MoKα","","0.0797","0.0441","","","0.1053","0.1193","","","","","","1.047","","","","has coordinates","244688","2020-10-21","18:00:00",""
"7239410","9.9365","0.0006","20.7883","0.0013","18.8462","0.0013","90","","100.617","0.002","90","","3826.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H37 N O2 -","- C52 H37 N O2 -","- C208 H148 N4 O8 -","4","1","","Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin","Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure","RSC Advances","2013","3","48","25758","","10.1039/c3ra45849k","","","0.71073","MoKα","","0.0806","0.0463","","","0.1006","0.1154","","","","","","1.016","","","","has coordinates","244688","2020-10-21","18:00:00",""
"7239411","9.8747","0.0008","20.9315","0.0016","18.7773","0.0014","90","","99.001","0.002","90","","3833.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H37 N O2 -","- C52 H37 N O2 -","- C208 H148 N4 O8 -","4","1","","Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin","Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure","RSC Advances","2013","3","48","25758","","10.1039/c3ra45849k","","","0.71073","MoKα","","0.0949","0.05","","","0.1081","0.1265","","","","","","1.013","","","","has coordinates,has disorder","244688","2020-10-21","18:00:00",""
"7239414","21.155","0.005","28.507","0.005","27.46","0.005","90","0.005","90","0.005","90","0.005","16560","6","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C144 H104 Cu8 Mo16 N40 O55 -","- C144 H104 Cu8 Mo16 N40 O55 -","- C576 H416 Cu32 Mo64 N160 O220 -","4","1","","Zhou, Shi; Liu, Bo; Chen, Ya-Guang; Li, Xiao-Min; Wang, Dong-Xiao","A hybrid compound based on octamolybdates and a rigid multidentate ligand: synthesis, structure and characterization","RSC Advances","2013","3","47","24910","","10.1039/c3ra45917a","","","0.71073","MoKα","","0.1085","0.0551","","","0.0895","0.1094","","","","","","0.983","","","","has coordinates","244691","2020-10-21","18:00:00",""
"7239418","14.2101","0.0006","7.1147","0.0002","15.2952","0.0007","90","","114.959","0.005","90","","1401.94","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O4 S -","- C17 H14 O4 S -","- C68 H56 O16 S4 -","4","1","","Akula, Ramulu; Ibrahim, Hasim","Tosyl cyanide as a C-sulfinylating agent: 3-sulfinylation of 4-hydroxycoumarins and related heterocycles","RSC Advances","2013","3","48","25719","","10.1039/c3ra45987j","","","1.54184","CuKα","","0.0305","0.0302","","","0.082","0.0824","","","","","","1.06","","","","has coordinates","244693","2020-10-21","18:00:00",""
"7239451","4.4486","0.0001","25.8691","0.0006","7.4266","0.0002","90","","95.867","0.001","90","","850.19","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H10 N2 O2 -","- C9 H10 N2 O2 -","- C36 H40 N8 O8 -","4","1","","Wang, Junfeng; Pang, Yi","A Simple Sensitive ESIPT On-Off Fluorescent Sensor for Selective Detection of Al<sup>3+</sup> in Water.","RSC advances","2013","4","12","5845","5848","10.1039/C3RA47104G","","","0.71073","MoKα","","0.0411","0.0345","","","0.0892","0.0941","","","","","","1.045","","","","has coordinates","244716","2020-10-21","18:00:00",""
"7239491","6.2395","0.0001","3.9925","0.0001","40.3716","0.0007","90","","90.8189","0.0012","90","","1005.6","0.03","100","","90","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O2 S4 -","- C7 H7 N O2 S4 -","- C28 H28 N4 O8 S16 -","4","1","","Kobayashi, Yuka; Fujii, Takenori; Terasaki, Ichiro; Kino, Hiori; Jin, Yongcheng; Hibino, Takashi; Kobayashi, Tetsuya; Nishibori, Eiji; Sawa, Hiroshi; Yoshikawa, Hideki; Terauchi, Takeshi; Sumi, Satoshi","Room-temperature proton transport and its effect on thermopower in a solid ionic semiconductor, TTFCOONH4","Journal of Materials Chemistry A","2013","1","16","5089","","10.1039/c3ta00011g","powder diffraction","","0.9468","synchrotron","","","","","","","","","0.058","","","","","","","","has coordinates","244732","2020-10-21","18:00:00",""
"7239492","29.0739","0.001","14.5356","0.0005","13.5095","0.0005","90","","100.097","0.005","90","","5620.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 La N3 O8 -","- C22 H20 La N3 O8 -","- C176 H160 La8 N24 O64 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0526","0.0473","","","0.1438","0.1485","","","","","","1.084","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239493","29.0489","0.0012","14.5685","0.0006","13.5097","0.0007","90","","100.119","0.005","90","","5628.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Ce N3 O8 -","- C22 H20 Ce N3 O8 -","- C176 H160 Ce8 N24 O64 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0723","0.0575","","","0.1493","0.1567","","","","","","1.069","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239494","33.657","0.002","14.2909","0.0005","12.8304","0.0009","90","","124.037","0.009","90","","5114","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Ce N O9 -","- C19 H14 Ce N O9 -","- C152 H112 Ce8 N8 O72 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0471","0.0409","","","0.1238","0.1283","","","","","","1.09","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239495","28.667","0.004","14.9105","0.0018","12.013","0.002","90","","106.274","0.015","90","","4929.1","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H47 Ce4 N4 O32 -","- C69 H47 Ce4 N4 O32 -","- C138 H94 Ce8 N8 O64 -","2","0.25","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","1.54184","CuKα","","0.0623","0.0576","","","0.1666","0.1718","","","","","","1.151","","","","has coordinates,has disorder","244734","2020-10-21","18:00:00",""
"7239496","28.877","0.002","14.3145","0.0009","13.6347","0.0014","90","","99.644","0.009","90","","5556.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N3 O8 Pr -","- C22 H20 N3 O8 Pr -","- C176 H160 N24 O64 Pr8 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0889","0.0674","","","0.2086","0.228","","","","","","1.15","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239497","28.8085","0.001","14.314","0.0007","13.5515","0.0006","90","","99.776","0.004","90","","5507","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H34 N5 O16 Sm2 -","- C41 H34 N5 O16 Sm2 -","- C164 H136 N20 O64 Sm8 -","4","0.5","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0609","0.0461","","","0.1334","0.1414","","","","","","1.109","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239498","29.255","0.002","12.699","0.0019","14.2602","0.001","90","","97.522","0.008","90","","5252.2","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Eu N2 O8 -","- C19 H14 Eu N2 O8 -","- C152 H112 Eu8 N16 O64 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","1.54184","CuKα","","0.0842","0.0718","","","0.2025","0.2199","","","","","","1.098","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239499","28.747","0.002","14.4478","0.001","13.3233","0.0008","90","","99.76","0.007","90","","5453.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H68 Gd4 N10 O32 -","- C82 H68 Gd4 N10 O32 -","- C164 H136 Gd8 N20 O64 -","2","0.25","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","1.54184","CuKα","","0.0877","0.075","","","0.2065","0.2199","","","","","","1.066","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239500","29.157","0.002","13.0903","0.0012","13.9533","0.0009","90","","97.576","0.006","90","","5279.1","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 N2 O8 Tb -","- C19 H14 N2 O8 Tb -","- C152 H112 N16 O64 Tb8 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0649","0.0445","","","0.1133","0.121","","","","","","0.958","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239501","28.7897","0.0008","13.9077","0.0007","13.6093","0.0005","90","","99.074","0.003","90","","5381","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Dy N2 O8 -","- C19 H13 Dy N2 O8 -","- C152 H104 Dy8 N16 O64 -","8","1","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.099","0.0855","","","0.266","0.2738","","","","","","1.134","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239502","28.6752","0.0016","14.354","0.0007","13.3467","0.001","90","","99.65","0.006","90","","5415.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H68 Ho4 N10 O32 -","- C82 H64 Ho4 N10 O32 -","- C164 H128 Ho8 N20 O64 -","2","0.25","","Efthymiou, Constantinos G.; Kyprianidou, Eleni J.; Milios, Constantinos J.; Manos, Manolis J.; Tasiopoulos, Anastasios J.","Flexible lanthanide MOFs as highly selective and reusable liquid MeOH sorbents","Journal of Materials Chemistry A","2013","1","16","5061","","10.1039/c3ta00115f","","","0.71073","MoKα","","0.0925","0.0864","","","0.2292","0.2318","","","","","","1.031","","","","has coordinates","244734","2020-10-21","18:00:00",""
"7239503","12.262","0.004","13.572","0.005","24.934","0.009","90","","90","","90","","4150","3","296","2","296","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C41 H40 In2 N2 O22 -","- C41 H35 In2 N2 O22 -","- C82 H70 In4 N4 O44 -","2","0.5","","Xue, Yun-Shan; He, Yabing; Zhou, Lian; Chen, Fei-Jian; Xu, Yan; Du, Hong-Bin; You, Xiao-Zeng; Chen, Banglin","A photoluminescent microporous metal organic anionic framework for nitroaromatic explosive sensing","Journal of Materials Chemistry A","2013","1","14","4525","","10.1039/c3ta01118f","","","0.71073","MoKα","","0.1404","0.0992","","","0.2645","0.2949","","","","","","1.034","","","","has coordinates","244735","2020-10-21","18:00:00",""
"7239504","48.197","0.01","17.145","0.003","27.248","0.005","90","","117.37","0.03","90","","19996","9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H114 Cl2 N42 O8 Zn9 -","- C128 H114 Cl2 N42 O8 Zn9 -","- C512 H456 Cl8 N168 O32 Zn36 -","4","0.5","","Li, Yun-Wu; He, Kun-Huan; Bu, Xian-He","Bottom-up assembly of a porous MOF based on nanosized nonanuclear zinc precursors for highly selective gas adsorption","Journal of Materials Chemistry A","2013","1","13","4186","","10.1039/c3ta01322g","","","0.71073","MoKα","","0.1141","0.0647","","","0.1609","0.1834","","","","","","1.001","","","","has coordinates,has disorder","244736","2020-10-21","18:00:00",""
"7239505","9.0217","0.0019","10.1","0.002","10.108","0.002","78.436","0.009","73.667","0.007","79.609","0.009","858.4","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Fe N2 O4 -","- C18 H12 Fe N2 O4 -","- C36 H24 Fe2 N4 O8 -","2","1","","Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu","Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity","Journal of Materials Chemistry A","2013","1","11","3675","","10.1039/c3ta01414b","","","0.71075","MoKα","","0.065","0.0533","","","0.1545","0.1709","","","","","","1.104","","","","has coordinates","244737","2020-10-21","18:00:00",""
"7239506","10.064","0.003","11.475","0.003","15.916","0.005","90","","103.182","0.005","90","","1789.6","0.9","223","2","223","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H12 Fe N2 O4 -","- C18 H12 Fe N2 O4 -","- C72 H48 Fe4 N8 O16 -","4","1","","Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu","Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity","Journal of Materials Chemistry A","2013","1","11","3675","","10.1039/c3ta01414b","","","0.71075","MoKα","","0.1087","0.0987","","","0.2965","0.3074","","","","","","1.161","","","","has coordinates","244737","2020-10-21","18:00:00",""
"7239507","10.23","0.014","11.58","0.015","17.68","0.02","90","","98.09","0.02","90","","2074","5","223","2","223","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H12 Fe I2.5 N2 O4 -","- C18 H12 Fe I2.5 N2 O4 -","- C72 H48 Fe4 I10 N8 O16 -","4","1","","Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu","Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity","Journal of Materials Chemistry A","2013","1","11","3675","","10.1039/c3ta01414b","","","0.71075","MoKα","","0.2631","0.1548","","","0.3527","0.4283","","","","","","1.116","","","","has coordinates","244737","2020-10-21","18:00:00",""
"7239508","10.11","0.003","11.484","0.004","15.735","0.005","90","","105.542","0.004","90","","1760.1","1","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C37 H29 Fe2 N7 O9 -","- C37 H29 Fe2 N7 O9 -","- C74 H58 Fe4 N14 O18 -","2","1","","Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu","Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity","Journal of Materials Chemistry A","2013","1","11","3675","","10.1039/c3ta01414b","","","0.71075","MoKα","","0.0874","0.0828","","","0.2583","0.2659","","","","","","1.887","","","","has coordinates","244737","2020-10-21","18:00:00",""
"7239509","10.187","0.011","10.273","0.01","10.759","0.009","66.69","0.03","77.57","0.04","81.17","0.04","1006.9","1.7","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H12 Fe N4 O6 -","- C18 H11 Fe N3 O6 -","- C36 H22 Fe2 N6 O12 -","2","1","","Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu","Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity","Journal of Materials Chemistry A","2013","1","11","3675","","10.1039/c3ta01414b","","","0.71075","MoKα","","0.1158","0.0953","","","0.2804","0.3096","","","","","","1.062","","","","has coordinates","244737","2020-10-21","18:00:00",""
"7239510","10.034","0.003","10.25","0.003","10.487","0.003","67.006","0.017","75.61","0.02","77.56","0.02","953.2","0.5","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 Fe N2 O6 -","- C19 H11 Fe N2 O5 -","- C38 H22 Fe2 N4 O10 -","2","1","","Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu","Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity","Journal of Materials Chemistry A","2013","1","11","3675","","10.1039/c3ta01414b","","","0.71075","MoKα","","0.0942","0.0812","","","0.2482","0.2596","","","","","","1.155","","","","has coordinates","244737","2020-10-21","18:00:00",""
"7239511","9.11","0.0003","10.3806","0.0007","16.1429","0.001","82.065","0.013","77.497","0.009","82.299","0.013","1467.53","0.16","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C58 H58 Cu4 N12 O16 -","- C58 H58 Cu4 N12 O16 -","- C58 H58 Cu4 N12 O16 -","1","1","","Bai, Songyan; Sheng, Tianlu; Tan, Chunhong; Zhu, Qilong; Huang, Yihui; Jiang, Hao; Hu, Shengmin; Fu, Ruibiao; Wu, Xintao","Distinct anion sensing by a 2D self-assembled Cu(ι)-based metal‒organic polymer with versatile visual colorimetric responses and efficient selective separations via anion exchange","Journal of Materials Chemistry A","2013","1","9","2970","","10.1039/c3ta01580g","","","0.71073","MoKα","","0.0463","0.0378","","","0.0915","0.0969","","","","","","1.032","","","","has coordinates","244738","2020-10-21","18:00:00",""
"7239512","4.9619","0.0004","13.106","0.0014","12.2014","0.0009","90","","91.684","0.006","90","","793.12","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C38 H38 N2 O6 -","2","1","","Gong, Wei-tao; Gao, Bei; Zhao, Jian-zhang; Ning, Gui-ling","Rational design of a reusable chemodosimeter for the selective detection of Hg2+","Journal of Materials Chemistry A","2013","1","18","5501","","10.1039/c3ta10412e","","","0.71073","MoKα","","0.0584","0.0439","","","0.1161","0.1252","","","","","","1.018","","","","has coordinates","244739","2020-10-21","18:00:00",""
"7239513","23.616","0.003","23.616","0.003","6.9313","0.0015","90","","90","","90","","3865.7","1.1","296","2","296","2","","","","","","","","6","P 42/m b c","-P 4c 2ab","135","","","","- C19 H18 Cl Hg N O3 -","- C19 H4 Cl Hg N O3 -","- C152 H32 Cl8 Hg8 N8 O24 -","8","0.5","","Gong, Wei-tao; Gao, Bei; Zhao, Jian-zhang; Ning, Gui-ling","Rational design of a reusable chemodosimeter for the selective detection of Hg2+","Journal of Materials Chemistry A","2013","1","18","5501","","10.1039/c3ta10412e","","","0.71073","MoKα","","0.0825","0.0436","","","0.1004","0.1107","","","","","","1.123","","","","has coordinates","244739","2020-10-21","18:00:00",""
"7239514","6.463","0.005","6.953","0.006","7.081","0.006","84.521","0.008","73.66","0.007","76.135","0.008","296.3","0.4","294","2","294","2","","","","","","","","6","P 1","P 1","1","","","","- C4 H12 B K O12 Sr -","- C4 H12 B K O12 Sr -","- C4 H12 B K O12 Sr -","1","1","","Fan, Xiaoyun; Pan, Shilie; Guo, Jing; Hou, Xueling; Han, Jian; Zhang, Fangfang; Li, Feng; Poeppelmeier, Kenneth R.","New tartratoborates: synthesis, structure, and characterization of non-centrosymmetric ASr[C4H2O6B(OH)2]·4H2O (A = K+, Rb+)","Journal of Materials Chemistry A","2013","1","35","10389","","10.1039/c3ta10474e","","","0.71073","MoKα","","0.0266","0.0266","","","0.0674","0.0675","","","","","","1.035","","","","has coordinates","244740","2020-10-21","18:00:00",""
"7239515","6.4606","0.0011","7.0808","0.0012","7.1089","0.0012","84.753","0.002","77.266","0.002","73.183","0.002","303.51","0.09","296","2","296","2","","","","","","","","6","P 1","P 1","1","","","","- C4 H12 B O12 Rb Sr -","- C4 H12 B O12 Rb Sr -","- C4 H12 B O12 Rb Sr -","1","1","","Fan, Xiaoyun; Pan, Shilie; Guo, Jing; Hou, Xueling; Han, Jian; Zhang, Fangfang; Li, Feng; Poeppelmeier, Kenneth R.","New tartratoborates: synthesis, structure, and characterization of non-centrosymmetric ASr[C4H2O6B(OH)2]·4H2O (A = K+, Rb+)","Journal of Materials Chemistry A","2013","1","35","10389","","10.1039/c3ta10474e","","","0.71073","MoKα","","0.0245","0.0231","","","0.0556","0.0563","","","","","","0.712","","","","has coordinates","244740","2020-10-21","18:00:00",""
"7239516","15.6464","0.0004","15.6464","0.0004","19.7878","0.0015","90","","90","","120","","4195.2","0.4","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- C54 H60 N18 O42 P10 Zn9 -","- C54 H52 N18 O42 P10 Zn9 -","- C108 H104 N36 O84 P20 Zn18 -","2","0.333333","","Zhang, Jie; Yao, Zhenguo; Liao, Shijun; Dai, Jingcao; Fu, Zhiyong","A hybrid metal phosphate‒phosphite material grafted with electron deficient organic components showing interesting fluorescent and photosensitive properties","Journal of Materials Chemistry A","2013","1","16","4945","","10.1039/c3ta10478h","","","1.54178","CuKα","","0.0997","0.0951","","","0.2637","0.2727","","","","","","1.06","","","","has coordinates","244741","2020-10-21","18:00:00",""
"7239517","4.838","0.002","23.956","0.01","4.936","0.002","90","","107.152","0.006","90","","546.6","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C H5 Cl N6 -","- C H5 Cl N6 -","- C4 H20 Cl4 N24 -","4","1","","Lin, Qiu-Han; Li, Yu-Chuan; Qi, Cai; Liu, Wei; Wang, Yuan; Pang, Si-Ping","Nitrogen-rich salts based on 5-hydrazino-1H-tetrazole: a new family of high-density energetic materials","Journal of Materials Chemistry A","2013","1","23","6776","","10.1039/c3ta10503b","","","0.71073","MoKα","","0.0436","0.0334","","","0.077","0.0832","","","","","","1.002","","","","has coordinates","244742","2020-10-21","18:00:00",""
"7239518","11.907","0.005","5.0089","0.0019","9.905","0.004","90","","90.211","0.006","90","","590.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H5 N7 O3 -","- C H5 N7 O3 -","- C4 H20 N28 O12 -","4","1","","Lin, Qiu-Han; Li, Yu-Chuan; Qi, Cai; Liu, Wei; Wang, Yuan; Pang, Si-Ping","Nitrogen-rich salts based on 5-hydrazino-1H-tetrazole: a new family of high-density energetic materials","Journal of Materials Chemistry A","2013","1","23","6776","","10.1039/c3ta10503b","","","0.71073","MoKα","","0.0421","0.0334","","","0.084","0.0881","","","","","","1","","","","has coordinates","244742","2020-10-21","18:00:00",""
"7239519","7.108","0.002","7.3045","0.0019","8.78","0.002","68.351","0.007","86.953","0.011","80.308","0.01","417.64","0.19","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C2 H5 N11 O2 -","- C2 H5 N11 O2 -","- C4 H10 N22 O4 -","2","1","","Lin, Qiu-Han; Li, Yu-Chuan; Qi, Cai; Liu, Wei; Wang, Yuan; Pang, Si-Ping","Nitrogen-rich salts based on 5-hydrazino-1H-tetrazole: a new family of high-density energetic materials","Journal of Materials Chemistry A","2013","1","23","6776","","10.1039/c3ta10503b","","","0.71073","MoKα","","0.0437","0.0354","","","0.0774","0.0809","","","","","","0.999","","","","has coordinates","244742","2020-10-21","18:00:00",""
"7239520","7.762","0.002","9.4","0.003","17.653","0.005","90","","90","","90","","1288","0.6","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H5 Cl N6 O4 -","- C H5 Cl N6 O4 -","- C8 H40 Cl8 N48 O32 -","8","1","","Lin, Qiu-Han; Li, Yu-Chuan; Qi, Cai; Liu, Wei; Wang, Yuan; Pang, Si-Ping","Nitrogen-rich salts based on 5-hydrazino-1H-tetrazole: a new family of high-density energetic materials","Journal of Materials Chemistry A","2013","1","23","6776","","10.1039/c3ta10503b","","","0.71073","MoKα","","0.0395","0.0375","","","0.1077","0.1094","","","","","","1.002","","","","has coordinates","244742","2020-10-21","18:00:00",""
"7239521","8.8362","0.0011","12.5804","0.0015","8.5551","0.001","90","","90","","90","","951","0.2","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H0 I3 N Pb -","- C I3 N Pb -","- C4 I12 N4 Pb4 -","4","0.5","","Baikie, Tom; Fang, Yanan; Kadro, Jeannette M.; Schreyer, Martin; Wei, Fengxia; Mhaisalkar, Subodh G.; Graetzel, Michael; White, Tim J.","Synthesis and crystal chemistry of the hybrid perovskite (CH3NH3)PbI3 for solid-state sensitised solar cell applications","Journal of Materials Chemistry A","2013","1","18","5628","","10.1039/c3ta10518k","","x-ray","0.71069","","","0.0657","0.0523","","0.1322","0.1299","","","","2.22","2.48","2.48","","","","","has coordinates","244743","2020-10-21","18:00:00",""
"7239522","9.5553","0.0004","9.639","0.0005","12.4046","0.0006","69.482","0.001","70.698","0.001","87.293","0.001","1006.83","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Cd3 F12 O16 -","- C28 H38 Cd3 F12 O16 -","- C28 H38 Cd3 F12 O16 -","1","0.5","","Mansoor, Muhammad Adil; Ehsan, Muhammad Ali; McKee, Vickie; Huang, Nay-Ming; Ebadi, Mehdi; Arifin, Zainudin; Basirun, Wan Jeffrey; Mazhar, Muhammad","Hexagonal structured Zn(1−x)CdxO solid solution thin films: synthesis, characterization and applications in photoelectrochemical water splitting","Journal of Materials Chemistry A","2013","1","17","5284","","10.1039/c3ta10558j","","","0.71073","MoKα","","0.0304","0.0266","","","0.0682","0.0704","","","","","","1.054","","","","has coordinates","244744","2020-10-21","18:00:00",""
"7239523","13.4641","0.0002","13.4641","0.0002","23.3751","0.0004","90","","90","","90","","4237.48","0.11","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C13 H7 N O4 Zn -","- C13 H7 N O4 Zn -","- C104 H56 N8 O32 Zn8 -","8","1","","Liu, Bo; Li, Yuanpu; Hou, Lei; Yang, Guoping; Wang, Yao-Yu; Shi, Qi-Zhen","Dynamic Zn-based metal‒organic framework: stepwise adsorption, hysteretic desorption and selective carbon dioxide uptake","Journal of Materials Chemistry A","2013","1","22","6535","","10.1039/c3ta10918f","","","1.54178","CuKα","","0.0744","0.0736","","","0.2395","0.2402","","","","","","1.226","","","","has coordinates","244745","2020-10-21","18:00:00",""
"7239524","11.4215","0.0012","13.8731","0.0015","20.777","0.002","98.208","0.002","99.762","0.002","108.66","0.002","3004.7","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H42 Co3 N9 O23 -","- C60 H42 Co3 N9 O23 -","- C120 H84 Co6 N18 O46 -","2","1","","Meng, Fanli; Fang, Zhiguo; Li, Zuoxi; Xu, Weiwei; Wang, Mengjiao; Liu, Yanping; Zhang, Ji; Wang, Wanren; Zhao, Dongyuan; Guo, Xiaohui","Porous Co3O4 materials prepared by solid-state thermolysis of a novel Co-MOF crystal and their superior energy storage performances for supercapacitors","Journal of Materials Chemistry A","2013","1","24","7235","","10.1039/c3ta11054k","","","0.71073","MoKα","","0.0893","0.057","","","0.1493","0.1796","","","","","","0.978","","","","has coordinates","244746","2020-10-21","18:00:00",""
"7239525","27.3103","0.0001","27.3103","0.0001","27.3103","0.0001","90","","90","","90","","20369.5","0.13","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C156 H132 Cu6 I6 N42 O12 -","- C156 H132 Cu6 I6 N42 O12 -","- C624 H528 Cu24 I24 N168 O48 -","4","0.166667","","Fu, Lei; Liu, Yu; Pan, Mei; Kuang, Xiao-Jun; Yan, Cheng; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Accumulation of versatile iodine species by a porous hydrogen-bonding Cu(ii) coordination framework","Journal of Materials Chemistry A","2013","1","30","8575","","10.1039/c3ta11157a","","","1.54178","CuKα","","0.0407","0.0335","","","0.0816","0.0829","","","","","","1.021","","","","has coordinates","244747","2020-10-21","18:00:00",""
"7239526","27.6501","0.0003","27.6501","0.0003","27.6501","0.0003","90","","90","","90","","21139.3","0.4","153","2","153","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C156 H132 Cu6 I13.5 N42 O12 -","- C156 H132 Cu6 I13.5 N42 O12 -","- C624 H528 Cu24 I54 N168 O48 -","4","0.166667","","Fu, Lei; Liu, Yu; Pan, Mei; Kuang, Xiao-Jun; Yan, Cheng; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Accumulation of versatile iodine species by a porous hydrogen-bonding Cu(ii) coordination framework","Journal of Materials Chemistry A","2013","1","30","8575","","10.1039/c3ta11157a","","","1.54178","CuKα","","0.1532","0.1299","","","0.2826","0.2882","","","","","","1.375","","","","has coordinates","244747","2020-10-21","18:00:00",""
"7239527","27.627","0.0002","27.627","0.0002","27.627","0.0002","90","","90","","90","","21086.3","0.3","153","2","153","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C156 H132 Cu6 I9 N42 O12 -","- C156 H132 Cu6 I9 N42 O12 -","- C624 H528 Cu24 I36 N168 O48 -","4","0.166667","","Fu, Lei; Liu, Yu; Pan, Mei; Kuang, Xiao-Jun; Yan, Cheng; Li, Kang; Wei, Shi-Chao; Su, Cheng-Yong","Accumulation of versatile iodine species by a porous hydrogen-bonding Cu(ii) coordination framework","Journal of Materials Chemistry A","2013","1","30","8575","","10.1039/c3ta11157a","","","1.54178","CuKα","","0.238","0.1589","","","0.3242","0.3631","","","","","","1.108","","","","has coordinates","244747","2020-10-21","18:00:00",""
"7239528","8.3893","0.0005","10.0156","0.0006","14.3147","0.0008","90","","103.532","0.002","90","","1169.39","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,5-dinitro-N-(2,2,2-trinitroethyl)-1H-imidazol-1-amine","","- C5 H4 N8 O10 -","- C5 H4 N8 O10 -","- C20 H16 N32 O40 -","4","1","","Yin, Ping; Zhang, Qinghua; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","N-Trinitroethylamino functionalization of nitroimidazoles: a new strategy for high performance energetic materials","Journal of Materials Chemistry A","2013","1","25","7500","","10.1039/c3ta11356f","","","0.71073","MoKα","","0.0337","0.0292","","","0.075","0.0779","","","","","","1.044","","","","has coordinates","244748","2020-10-21","18:00:00",""
"7239529","11.1074","0.0007","9.5233","0.0006","10.977","0.0007","90","","90","","90","","1161.14","0.13","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","2,4-dinitro-N-(2,2,2-trinitroethyl)-1H-imidazol-1-amine","","- C5 H4 N8 O10 -","- C5 H4 N8 O10 -","- C20 H16 N32 O40 -","4","1","","Yin, Ping; Zhang, Qinghua; Zhang, Jiaheng; Parrish, Damon A.; Shreeve, Jean'ne M.","N-Trinitroethylamino functionalization of nitroimidazoles: a new strategy for high performance energetic materials","Journal of Materials Chemistry A","2013","1","25","7500","","10.1039/c3ta11356f","","","0.71073","MoKα","","0.0412","0.0387","","","0.1071","0.1096","","","","","","1.061","","","","has coordinates","244748","2020-10-21","18:00:00",""
"7239530","17.9218","0.0008","17.9218","0.0008","11.2184","0.0008","90","","90","","90","","3603.2","0.3","173","2","173","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H3 In0.5 O4 -","- C8 H3 In0.5 O4 -","- C64 H24 In4 O32 -","8","1","","Qian, Jinjie; Jiang, Feilong; Yuan, Daqiang; Li, Xingjun; Zhang, Linjie; Su, Kongzhao; Hong, Maochun","Increase in pore size and gas uptake capacity in indium-organic framework materials","Journal of Materials Chemistry A","2013","1","32","9075","","10.1039/c3ta11548h","","","0.71073","MoKα","","0.0235","0.0228","","","0.0663","0.0665","","","","","","1.133","","","","has coordinates","244749","2020-10-21","18:00:00",""
"7239531","18.802","0.005","28.875","0.006","23.835","0.006","90","","96.129","0.005","90","","12866","5","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C78 H142 Cd2 N4 O46 Ti17 -","- C79 H135 Cd2 N4 O46 Ti17 -","- C316 H540 Cd8 N16 O184 Ti68 -","4","0.5","","Wu, Yin-Yin; Wang, Peng; Wang, Yu-Hong; Jiang, Jian-Bing; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Metal‒phenanthroline fused Ti17 clusters, a single molecular source for sensitized photoconductive films","Journal of Materials Chemistry A","2013","1","34","9862","","10.1039/c3ta11571b","","","0.71075","MoKα","","0.1051","0.0818","","","0.1749","0.1893","","","","","","1.022","","","","has coordinates","244750","2020-10-21","18:00:00",""
"7239532","15.8","0.003","27.683","0.006","25.877","0.005","90","","90.9","0.03","90","","11317","4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H128 Co2 N4 O44 Ti17 -","- C72 H16 Co2 N4 O44 Ti17 -","- C288 H64 Co8 N16 O176 Ti68 -","4","1","","Wu, Yin-Yin; Wang, Peng; Wang, Yu-Hong; Jiang, Jian-Bing; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie","Metal‒phenanthroline fused Ti17 clusters, a single molecular source for sensitized photoconductive films","Journal of Materials Chemistry A","2013","1","34","9862","","10.1039/c3ta11571b","","","0.71073","MoKα","","0.1899","0.1099","","","0.2165","0.2549","","","","","","1.014","","","","has coordinates","244751","2020-10-21","18:00:00",""
"7239533","12.364","0.003","22.542","0.005","12.548","0.003","90","","106.993","0.005","90","","3344.6","1.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C84 H88 N4 -","- C84 H88 N4 -","- C168 H176 N8 -","2","1","","Cai, Shengyun; Tian, Guojian; Li, Xin; Su, Jianhua; Tian, He","Efficient and stable DSSC sensitizers based on substituted dihydroindolo[2,3-b]carbazole donors with high molar extinction coefficients","Journal of Materials Chemistry A","2013","1","37","11295","","10.1039/c3ta11748k","","","0.71073","MoKα","","0.1467","0.0574","","","0.1269","0.1681","","","","","","0.958","","","","has coordinates,has disorder","244752","2020-10-21","18:00:00",""
"7239534","7.359","0.002","9.487","0.003","14.286","0.004","96.444","0.019","101.75","0.011","101.692","0.013","943.9","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H20 N14 O10 -","- C8 H20 N14 O10 -","- C16 H40 N28 O20 -","2","1","","Liang, Lixuan; Cao, Dan; Song, Jinhong; Huang, Haifeng; Wang, Kai; Bian, Chengming; Dong, Xiao; Zhou, Zhiming","Synthesis and characteristics of novel energetic salts based on bis(N-dinitroethyl)aminofurazan","Journal of Materials Chemistry A","2013","1","31","8857","","10.1039/c3ta11784g","","","0.71073","MoKα","","0.1041","0.0681","","","0.1694","0.1961","","","","","","1.004","","","","has coordinates","244753","2020-10-21","18:00:00",""
"7239535","26.4685","0.0012","22.6646","0.0011","40.1626","0.0018","90","","100.171","0.001","90","","23714.8","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C69 H42 O14 Pb3 -","- C69 H42 O14 Pb3 -","- C552 H336 O112 Pb24 -","8","1","","Jia, Jiangtao; Sun, Fuxing; Ma, Heping; Wang, Lei; Cai, Kun; Bian, Zheng; Gao, Lianxun; Zhu, Guangshan","Trigonal prism or octahedron: the conformational change of a dendritic six-node ligand in MOFs","Journal of Materials Chemistry A","2013","1","35","10112","","10.1039/c3ta11840a","","","0.71073","MoKα","","0.1188","0.0723","","","0.213","0.2316","","","","","","0.961","","","","has coordinates","244754","2020-10-21","18:00:00",""
"7239536","19.85","0.003","19.85","0.003","83.91","0.03","90","","90","","120","","28633","12","296","2","296","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C H N O Zn -","- C2.31933 H1.41176 O0.436975 Zn0.134454 -","- C828 H504 O156 Zn48 -","357","9.91667","","Jia, Jiangtao; Sun, Fuxing; Ma, Heping; Wang, Lei; Cai, Kun; Bian, Zheng; Gao, Lianxun; Zhu, Guangshan","Trigonal prism or octahedron: the conformational change of a dendritic six-node ligand in MOFs","Journal of Materials Chemistry A","2013","1","35","10112","","10.1039/c3ta11840a","","","0.71073","MoKα","","0.145","0.1155","","","0.3348","0.358","","","","","","1.384","","","","has coordinates","244754","2020-10-21","18:00:00",""
"7239537","8.2329","0.0017","10.089","0.002","10.856","0.002","88.349","0.017","74.846","0.016","68.32","0.015","806.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H10 Cu F6 N2 O2 -","- C16 H10 Cu F6 N2 O2 -","- C32 H20 Cu2 F12 N4 O4 -","2","1","","Giebelhaus, Irina; Varechkina, Elena; Fischer, Thomas; Rumyantseva, Marina; Ivanov, Vladimir; Gaskov, Alexander; Morante, Joan Ramon; Arbiol, Jordi; Tyrra, Wieland; Mathur, Sanjay","One-dimensional CuO‒SnO2 p‒n heterojunctions for enhanced detection of H2S","Journal of Materials Chemistry A","2013","1","37","11261","","10.1039/c3ta11867c","","","0.71073","MoKα","","0.1313","0.0527","","","0.1302","0.1619","","","","","","0.86","","","","has coordinates","244755","2020-10-21","18:00:00",""
"7239538","16.7418","0.0009","20.0777","0.0011","17.0974","0.001","90","","114.455","0.001","90","","5231.5","0.5","120","","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H52 N2 P4 Pt2 -","- C64 H52 N2 P4 Pt2 -","- C256 H208 N8 P16 Pt8 -","4","1","","Li, Xing; Zhao, Xiuhua; Gao, Shuiying; Marqués-González, Santiago; Yufit, Dmitry S.; Howard, Judith A. K.; Low, Paul J.; Zhao, Yayun; Gan, Ning; Guo, Zhiyong","The structure and coordinative self-assembly of films based on a palladium compound of pyridyl-acetylene platinum and its application in Suzuki and Heck coupling reactions","Journal of Materials Chemistry A","2013","1","32","9164","","10.1039/c3ta11868a","","","0.71073","MoKα","","0.0749","0.0388","","","0.0719","0.0844","","","","","","1.005","","","","has coordinates","244756","2020-10-21","18:00:00",""
"7239539","11.122","0.0013","11.9382","0.0014","14.1843","0.0017","74.869","0.002","76.48","0.002","73.859","0.002","1719.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","catena-((μ~4~-2,2'-biquinoline-4,4'-dicarboxylato-O,O',O'',O''')-bis(μ~3~-2,2'-biquinoline-4,4'-dicarboxylato-O,O,O',O'',O''')-aqua-tris(N,N-dimethylformamide-O)-bis-europium(iii) hemi(dimethylformamide) solvate monohydrate)","","- C35.25 H29.25 Eu N4.75 O8.75 -","- C35.25 H26.25 Eu N5 O8.75 -","- C70.5 H52.5 Eu2 N10 O17.5 -","2","1","","Zhu, Yi-Min; Zeng, Cheng-Hui; Chu, Tian-Shu; Wang, Hong-Ming; Yang, Yang-Yi; Tong, Ye-Xiang; Su, Cheng-Yong; Wong, Wing-Tak","A novel highly luminescent LnMOF film: a convenient sensor for Hg2+ detecting","Journal of Materials Chemistry A","2013","1","37","11312","","10.1039/c3ta11925d","","","0.71073","MoKα","","0.0593","0.0421","","","0.1163","0.1324","","","","","","1.127","","","","has coordinates,has disorder","244757","2020-10-21","18:00:00",""
"7239540","10.3434","0.0003","11.2882","0.0004","13.4642","0.0002","81.722","0.005","83.227","0.004","89.615","0.005","1544.74","0.08","296.1","","296.1","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H28 N6 S4 -","- C33 H28 N6 S4 -","- C66 H56 N12 S8 -","2","1","","Nazari, Shidokht; Cameron, Stanley; Johnson, Michel B.; Ghandi, Khashayar","Physicochemical properties of imidazo-pyridine protic ionic liquids","Journal of Materials Chemistry A","2013","1","38","11570","","10.1039/c3ta12022h","","","0.7107","MoKα","","","0.0417","","","","0.0504","","","","","","1.133","","","","has coordinates","244758","2020-10-21","18:00:00",""
"7239541","28.7876","0.0011","28.7876","0.0011","11.1348","0.0005","90","","90","","90","","9227.7","0.6","293","2","293","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C84 H48 N20 O17 Zn8 -","- C83.98 H48 N20 O16.98 Zn8 -","- C167.96 H96 N40 O33.96 Zn16 -","2","0.25","","Xu, Hui; Cai, Jianfeng; Xiang, Shengchang; Zhang, Zhangjing; Wu, Chuande; Rao, Xiangtang; Cui, Yuanjing; Yang, Yu; Krishna, Rajamani; Chen, Banglin; Qian, Guodong","A cationic microporous metal‒organic framework for highly selective separation of small hydrocarbons at room temperature","Journal of Materials Chemistry A","2013","1","34","9916","","10.1039/c3ta12086d","","","0.71073","MoKα","","0.1324","0.0816","","","0.2139","0.234","","","","","","1.074","","","","has coordinates,has disorder","244759","2020-10-21","18:00:00",""
"7239542","24.6841","0.0013","12.9554","0.0007","14.6905","0.0008","90","","96.658","0.001","90","","4666.2","0.4","185","2","185","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 Eu F N O8 -","- C18 H15 Eu F N O8 -","- C144 H120 Eu8 F8 N8 O64 -","8","1","","Hao, Zhaomin; Song, Xuezhi; Zhu, Min; Meng, Xing; Zhao, Shuna; Su, Shengqun; Yang, Weiting; Song, Shuyan; Zhang, Hongjie","One-dimensional channel-structured Eu-MOF for sensing small organic molecules and Cu2+ ion","Journal of Materials Chemistry A","2013","1","36","11043","","10.1039/c3ta12270k","","","0.71073","MoKα","","0.0675","0.0568","","","0.1636","0.1714","","","","","","1.097","","","","has coordinates","244760","2020-10-21","18:00:00",""
"7239543","24.605","0.002","12.9653","0.0012","14.62","0.0014","90","","96.727","0.002","90","","4631.8","0.7","185","2","185","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 F N O8 Tb -","- C18 H15 F N O8 Tb -","- C144 H120 F8 N8 O64 Tb8 -","8","1","","Hao, Zhaomin; Song, Xuezhi; Zhu, Min; Meng, Xing; Zhao, Shuna; Su, Shengqun; Yang, Weiting; Song, Shuyan; Zhang, Hongjie","One-dimensional channel-structured Eu-MOF for sensing small organic molecules and Cu2+ ion","Journal of Materials Chemistry A","2013","1","36","11043","","10.1039/c3ta12270k","","","0.71073","MoKα","","0.075","0.0597","","","0.1697","0.1793","","","","","","1.063","","","","has coordinates","244760","2020-10-21","18:00:00",""
"7239544","27.3685","0.0002","27.3685","0.0002","27.3685","0.0002","90","","90","","90","","20500","0.3","173","2","173","2","","","","","","","","5","I m -3","-I 2 2 3","204","","","","- C11 H5 N0.5 O3 Zn0.75 -","- C11 H5 N0.5 O3 Zn0.75 -","- C528 H240 N24 O144 Zn36 -","48","1","","Qian, Jinjie; Jiang, Feilong; Su, Kongzhao; Pan, Jie; Zhang, Linjie; Li, Xingjun; Yuan, Daqiang; Hong, Maochun","Sorption behaviour in a unique 3,12-connected zinc‒organic framework with 2.4 nm cages","Journal of Materials Chemistry A","2013","1","36","10631","","10.1039/c3ta12391j","","","1.54184","CuKα","","0.0841","0.0799","","","0.2435","0.2527","","","","","","1.086","","","","has coordinates","244761","2020-10-21","18:00:00",""
"7239545","26.07","0.005","26.07","0.005","18.601","0.005","90","","90","","90","","12642","5","293","2","293","2","","","","","","","","5","P 41","P 4w","76","","","","- C110 H184 Cu4 N14 O44 -","- C54 H30 Cu4 N2 O18 -","- C216 H120 Cu16 N8 O72 -","4","1","","He, Wen-Wen; Li, Shun-Li; Li, Wen-Liang; Li, Ji-Sen; Yang, Guang-Sheng; Zhang, Shu-Ran; Lan, Ya-Qian; Shen, Ping; Su, Zhong-Min","Multipoint interactions enhanced H2 storage and organosulfur removal in a microporous metal‒organic framework","Journal of Materials Chemistry A","2013","1","37","11111","","10.1039/c3ta12662e","","","0.71069","MoKα","","0.0937","0.0795","","","0.2109","0.22","","","","","","1.127","","","","has coordinates","244762","2020-10-21","18:00:00",""
"7239546","20.53","0.005","20.773","0.005","18.804","0.004","90","","90.945","0.003","90","","8018","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 Cu2 O12 -","- C47 H36 Cu2 O12 -","- C188 H144 Cu8 O48 -","4","0.5","","Makal, Trevor A.; Zhuang, Wenjuan; Zhou, Hong-Cai","Realization of both high hydrogen selectivity and capacity in a guest responsive metal‒organic framework","Journal of Materials Chemistry A","2013","1","43","13502","","10.1039/c3ta12761c","","","0.71073","MoKα","","0.1203","0.0691","","","0.1852","0.2004","","","","","","0.908","","","","has coordinates","244763","2020-10-21","18:00:00",""
"7239547","15.01","0.02","16.62","0.02","19.29","0.03","102.288","0.019","91.786","0.018","93.3","0.018","4690","11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H36 Cu2 N0 O12 -","- C47 H36 Cu2 O12 -","- C94 H72 Cu4 O24 -","2","1","","Makal, Trevor A.; Zhuang, Wenjuan; Zhou, Hong-Cai","Realization of both high hydrogen selectivity and capacity in a guest responsive metal‒organic framework","Journal of Materials Chemistry A","2013","1","43","13502","","10.1039/c3ta12761c","","","0.71073","MoKα","","0.3232","0.144","","","0.2598","0.2789","","","","","","1.001","","","","has coordinates","244763","2020-10-21","18:00:00",""
"7239548","20.639","0.009","22.923","0.01","23.247","0.01","82.718","0.006","71.061","0.006","80.352","0.007","10225","8","110","2","110","2","","","","","","","","5","P -1","-P 1","2","PCN-38","","","- C90 H64 Cu4 N0 O24 -","- C90 H64 Cu4 O24 -","- C180 H128 Cu8 O48 -","2","1","","Makal, Trevor A.; Zhuang, Wenjuan; Zhou, Hong-Cai","Realization of both high hydrogen selectivity and capacity in a guest responsive metal‒organic framework","Journal of Materials Chemistry A","2013","1","43","13502","","10.1039/c3ta12761c","","","0.71073","MoKα","","0.2063","0.0715","","","0.1723","0.1796","","","","","","0.839","","","","has coordinates","244763","2020-10-21","18:00:00",""
"7239551","40.0928","0.0017","40.0928","0.0017","40.0928","0.0017","90","","90","","90","","64446","5","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C408 H592 Cu24 N76 O196 -","- C216 H168 Cu24 N12 O132 -","- C864 H672 Cu96 N48 O528 -","4","0.0208333","","Wang, Hai-Ning; Liu, Fu-Hong; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Three neutral metal‒organic frameworks with micro- and meso-pores for adsorption and separation of dyes","Journal of Materials Chemistry A","2013","1","42","13060","","10.1039/c3ta13242k","","","0.71073","MoKα","","0.056","0.0449","","","0.1336","0.1399","","","","","","1.085","","","","has coordinates","244766","2020-10-21","18:00:00",""
"7239552","46.173","","46.173","","46.173","","90","","90","","90","","98438.3","","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C609 H1001 Cu24 N131 O251 -","- C252 H168 Cu24 N12 O132 -","- C1008 H672 Cu96 N48 O528 -","4","0.0208333","","Wang, Hai-Ning; Liu, Fu-Hong; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min","Three neutral metal‒organic frameworks with micro- and meso-pores for adsorption and separation of dyes","Journal of Materials Chemistry A","2013","1","42","13060","","10.1039/c3ta13242k","","","0.71073","MoKα","","0.0962","0.0723","","","0.2038","0.2234","","","","","","1.06","","","","has coordinates","244766","2020-10-21","18:00:00",""
"7239553","4.3993","0.0009","10.477","0.002","12.184","0.003","68.811","0.003","84.903","0.003","89.122","0.003","521.46","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","di(2H-tetrazol-5-yl)methanone oxime DMSO","","- C5 H9 N9 O2 S -","- C5 H9 N9 O2 S -","- C10 H18 N18 O4 S2 -","2","1","","Chand, Deepak; Parrish, Damon A.; Shreeve, Jean'ne M.","Di(1H-tetrazol-5-yl)methanone oxime and 5,5′-(hydrazonomethylene)bis(1H-tetrazole) and their salts: a family of highly useful new tetrazoles and energetic materials","Journal of Materials Chemistry A","2013","1","48","15383","","10.1039/c3ta13425c","","","0.71073","MoKα","","0.0514","0.0381","","","0.0905","0.0975","","","","","","1.036","","","","has coordinates","244767","2020-10-21","18:00:00",""
"7239554","4.7217","0.0004","16.4748","0.0014","10.3658","0.0009","90","","101.975","0.002","90","","788.8","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,5'-(hydrazonomethylene)bis(1H-tetrazole) hydrate","","- C3 H6 N10 O -","- C3 H6 N10 O -","- C12 H24 N40 O4 -","4","1","","Chand, Deepak; Parrish, Damon A.; Shreeve, Jean'ne M.","Di(1H-tetrazol-5-yl)methanone oxime and 5,5′-(hydrazonomethylene)bis(1H-tetrazole) and their salts: a family of highly useful new tetrazoles and energetic materials","Journal of Materials Chemistry A","2013","1","48","15383","","10.1039/c3ta13425c","","","0.71073","MoKα","","0.0367","0.0334","","","0.0871","0.0898","","","","","","1.062","","","","has coordinates","244767","2020-10-21","18:00:00",""
"7239555","6.5633","0.0011","7.6976","0.0013","19.158","0.003","90","","90","","90","","967.9","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","dihydroxylammonium (5,5'-(hydrazonomethylene)ditetrazol-2-ide)","","- C3 H10 N12 O2 -","- C3 H10 N12 O2 -","- C12 H40 N48 O8 -","4","1","","Chand, Deepak; Parrish, Damon A.; Shreeve, Jean'ne M.","Di(1H-tetrazol-5-yl)methanone oxime and 5,5′-(hydrazonomethylene)bis(1H-tetrazole) and their salts: a family of highly useful new tetrazoles and energetic materials","Journal of Materials Chemistry A","2013","1","48","15383","","10.1039/c3ta13425c","","","0.71073","MoKα","","0.0437","0.0384","","","0.0932","0.0964","","","","","","1.086","","","","has coordinates","244767","2020-10-21","18:00:00",""
"7239557","15.2853","0.0005","15.2853","0.0005","15.2853","0.0005","90","","90","","90","","3571.3","0.2","100","2","100","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C36 H24 N6 O12 Ru Zn2 -","- C36 H24 N6 O12 Ru Zn2 -","- C144 H96 N24 O48 Ru4 Zn8 -","4","0.166667","","Kent, Caleb A.; Liu, Demin; Ito, Akitaka; Zhang, Teng; Brennaman, M. Kyle; Meyer, Thomas J.; Lin, Wenbin","Rapid energy transfer in non-porous metal‒organic frameworks with caged Ru(bpy)32+ chromophores: oxygen trapping and luminescence quenching","Journal of Materials Chemistry A","2013","1","47","14982","","10.1039/c3ta14009a","","","1.54178","CuKα","","0.022","0.022","","","0.0799","0.0799","","","","","","0.795","","","","has coordinates","244769","2020-10-21","18:00:00",""
"7239579","9.1313","0.0018","8.1896","0.0016","24.073","0.005","90","","90","","90","","1800.2","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H18 N8 O6 Zn -","- C14 H18 N8 O6 Zn -","- C56 H72 N32 O24 Zn4 -","4","0.5","","Wang, Hao; Hu, Tong-Liang; Wen, Rong-Mei; Wang, Qian; Bu, Xian-He","In vitro controlled release of theophylline from metal‒drug complexes","Journal of Materials Chemistry B","2013","1","32","3879","","10.1039/c3tb20633e","","","0.71073","MoKα","","0.0873","0.0664","","","0.1227","0.1326","","","","","","1.009","","","","has coordinates","244776","2020-10-21","18:00:00",""
"7239580","7.8873","0.0016","8.7132","0.0017","11.451","0.002","83.47","0.03","80.19","0.03","73.05","0.03","740","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 N4 O8 Zn2 -","- C11 H12 N4 O8 Zn2 -","- C22 H24 N8 O16 Zn4 -","2","1","","Wang, Hao; Hu, Tong-Liang; Wen, Rong-Mei; Wang, Qian; Bu, Xian-He","In vitro controlled release of theophylline from metal‒drug complexes","Journal of Materials Chemistry B","2013","1","32","3879","","10.1039/c3tb20633e","","","0.71073","MoKα","","0.1345","0.0736","","","0.1543","0.1758","","","","","","1.006","","","","has coordinates","244776","2020-10-21","18:00:00",""
"7239581","9.6685","0.0019","22.865","0.005","9.6903","0.0019","90","","112.41","0.03","90","","1980.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl2 O2 -","- C24 H20 Cl2 O2 -","- C96 H80 Cl8 O8 -","4","1","","Xu, Zhenzhen; Liao, Qing; Shi, Xingrui; Li, Hui; Zhang, Haoli; Fu, Hongbing","Full-color tunable organic nanoparticles with FRET-assisted enhanced two-photon excited fluorescence for bio-imaging","Journal of Materials Chemistry B","2013","1","44","6035","","10.1039/c3tb20841a","","","0.71073","MoKα","","0.095","0.09","","","0.1972","0.2003","","","","","","1.132","","","","has coordinates","244777","2020-10-21","18:00:00",""
"7702004","23.235","0.005","11.855","0.002","36.749","0.007","90","","95.26","0.03","90","","10080","3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C171 H180 Cd4 Cl N9 Ni4 O31 -","- C171 H180 Cd4 Cl N9 Ni4 O31 -","- C342 H360 Cd8 Cl2 N18 Ni8 O62 -","2","1","","Ren, Yanwei; Cheng, Xiaofei; Yang, Shaorong; Qi, Chaorong; Jiang, Huanfeng; Mao, Qiuping","A chiral mixed metal-organic framework based on a Ni(saldpen) metalloligand: synthesis, characterization and catalytic performances.","Dalton transactions (Cambridge, England : 2003)","2013","42","27","9930","9937","10.1039/c3dt50664a","","","0.71073","MoKα","","0.1037","0.0739","","","0.1811","0.1979","","","","","","0.978","","","","has coordinates","232619","2020-10-21","18:00:00",""
"7702892","21.695","0.007","12.454","0.004","7.9","0.003","90","","90","","90","","2134.5","1.3","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","triiodo-1,4,7,10,13-pentaoxacyclopentadecane-lanthanum(III) acetonitrile solvate","","- C12 H23 I3 La N O5 -","- C12 H23 I3 La N O5 -","- C48 H92 I12 La4 N4 O20 -","4","0.5","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0577","0.0535","","","0.1361","0.1402","","","","","","1.104","","","","has coordinates,has disorder","244416","2020-10-21","18:00:00",""
"7702893","8.1091","0.0011","21.599","0.003","29.15","0.004","90","","91.469","0.003","90","","5103.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","acetonitrile-1,4,7,10,13,16-hexaoxacyclooctadecane-diiodolanthanum(III) iodide acetonitrile solvate","","- C15 H28.5 I3 La N1.5 O6 -","- C15 H28.5 I3 La N1.5 O6 -","- C120 H228 I24 La8 N12 O48 -","8","2","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0354","0.0283","","","0.0518","0.0541","","","","","","0.884","","","","has coordinates","244416","2020-10-21","18:00:00",""
"7702894","15.375","0.003","13.506","0.003","21.053","0.004","90","","90","","90","","4371.8","1.5","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","triiodo-1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane-lanthanum(III)","","- C12 H24 I3 La O4 Se2 -","- C12 H24 I3 La O4 Se2 -","- C96 H192 I24 La8 O32 Se16 -","8","1","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0432","0.0328","","","0.0685","0.0734","","","","","","1.128","","","","has coordinates","244416","2020-10-21","18:00:00",""
"7702895","15.276","0.003","13.763","0.002","20.617","0.004","90","","90","","90","","4334.6","1.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","triiodo-1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane-lanthanum(III)","","- C12 H24 I3 La O4 S2 -","- C12 H24 I3 La O4 S2 -","- C96 H192 I24 La8 O32 S16 -","8","1","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0467","0.0426","","","0.1096","0.1133","","","","","","1.052","","","","has coordinates,has disorder","244416","2020-10-21","18:00:00",""
"7702896","8.5208","0.0016","20.401","0.004","14.616","0.003","90","","106.278","0.003","90","","2438.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","diaqua-iodo-(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)-lanthanum(III) iodide hydrate","","- C12 H30 I3 La O7 S2 -","- C12 H24 I3 La O7 S2 -","- C48 H96 I12 La4 O28 S8 -","4","1","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.069","0.0655","","","0.1708","0.1747","","","","","","1.066","","","","has coordinates","244416","2020-10-21","18:00:00",""
"7702897","18.946","0.007","11.146","0.004","11.901","0.005","90","","90","","90","","2513.2","1.7","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","bis(acetonitrile)aqua(1,4,7,10,13-pentaoxacyclopentadecane)lutetium(III) triiodide","","- C14 H28 I3 Lu N2 O6 -","- C14 H26 I3 Lu N2 O6 -","- C56 H104 I12 Lu4 N8 O24 -","4","0.5","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.044","0.041","","","0.1038","0.1061","","","","","","1.035","","","","has coordinates","244416","2020-10-21","18:00:00",""
"7702898","8.787","0.004","10.151","0.004","14.97","0.006","90","","100.635","0.005","90","","1312.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","bis(acetonitrile)-1,4,7,10,13,16-hexaoxacyclooctadecane-iodolutetium(III) diiodide","","- C16 H30 I3 Lu N2 O6 -","- C16 H30 I3 Lu N2 O6 -","- C32 H60 I6 Lu2 N4 O12 -","2","0.5","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0955","0.0868","","","0.2166","0.2256","","","","","","1.037","","","","has coordinates","244416","2020-10-21","18:00:00",""
"7702899","15.436","0.005","11.954","0.004","14.804","0.005","90","","90","","90","","2731.7","1.6","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","diiodo(1,4,10,13-tetraoxa-7,16-diselenacyclooctadecane)lutetium(III) iodide acetonitrile solvate","","- C16 H30 I3 Lu N2 O4 Se2 -","- C16 H24 I3 Lu N2 O4 Se2 -","- C64 H96 I12 Lu4 N8 O16 Se8 -","4","0.5","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0716","0.063","","","0.1529","0.1595","","","","","","1.061","","","","has coordinates,has disorder","244416","2020-10-21","18:00:00",""
"7702900","16.15","0.004","64.37","0.008","11.3327","0.0012","90","","90","","90","","11781","3","100","2","100","2","","","","","","","","7","A e m 2","A 2 -2b","39","","Dichloro(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)scandium(III) tetrachloroferrate","","- C12 H24 Cl6 Fe O4 S2 Sc -","- C12 H19.2 Cl6 Fe O4 S2 Sc -","- C240 H384 Cl120 Fe20 O80 S40 Sc20 -","20","2.5","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.1288","0.0963","","","0.2292","0.2517","","","","","","1.046","","","","has coordinates","244416","2020-10-21","18:00:00",""
"7702901","23.764","0.005","16.18","0.002","12.5376","0.0018","90","","90","","90","","4820.7","1.4","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","Dichloro(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)yttrium(III) tetrachloroferrate","","- C12 H24 Cl6 Fe O4 S2 Y -","- C12 H24 Cl6 Fe O4 S2 Y -","- C96 H192 Cl48 Fe8 O32 S16 Y8 -","8","1","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0419","0.0301","","","0.0627","0.0664","","","","","","1.051","","","","has coordinates","244416","2020-10-21","18:00:00",""
"7702902","15.29","0.001","11.9434","0.0008","14.4913","0.0008","90","","90","","90","","2646.3","0.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Diiodo(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)scandium(III) iodide acetonitrile solvate","","- C14 H27 I3 N O4 S2 Sc -","- C14 H27 I3 N O4 S2 Sc -","- C56 H108 I12 N4 O16 S8 Sc4 -","4","0.5","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0997","0.0741","","","0.1876","0.206","","","","","","1.057","","","","has coordinates,has disorder","244416","2020-10-21","18:00:00",""
"7702903","13.174","0.002","17.299","0.003","18.224","0.004","115.694","0.003","95.928","0.005","91.622","0.001","3710.1","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","bis(trans-dichloro(1,4,7,10,13,16-hexaoxacyclooctadecane)yttrium(III))- (cis-dichloro(1,4,7,10,13,16-hexaoxacyclooctadecane)yttrium(III)) hexachloro-tri(mu-2-chloro)diyttrium(III) acetonitrile solvate","","- C39.3 H76.95 Cl15 N1.65 O18 Y5 -","- C39.3 H72 Cl15 N1.65 O18 Y5 -","- C78.6 H144 Cl30 N3.3 O36 Y10 -","2","1","","Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian","Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.","Dalton transactions (Cambridge, England : 2003)","2013","42","36","13179","13189","10.1039/c3dt51405f","","","0.71073","MoKα","","0.0769","0.0647","","","0.1807","0.192","","","","","","1.034","","","","has coordinates,has disorder","244416","2020-10-21","18:00:00",""
"7702916","28.498","0.0018","19.397","0.0011","30.559","0.0018","90","","103.514","0.0011","90","","16424.6","1.7","223","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C140 H165 Dy6 N13 Na2 O71 -","- C138 H127 Dy6 N13 Na2 O56 -","- C552 H508 Dy24 N52 Na8 O224 -","4","0.5","","She, Shixiong; Chen, Yanmei; Zaworotko, Michael J.; Liu, Wei; Cao, Yanyuan; Wu, Jian; Li, Yahong","Synthesis, structures and magnetic properties of a family of nitrate-bridged octanuclear [Na2Ln6] (Ln = Dy, Tb, Gd, Sm) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10433","10438","10.1039/c3dt50417d","","","0.71073","MoKα","","0.0414","0.0312","","","0.0708","0.0739","","","","","","1.015","","","","has coordinates,has disorder","244809","2020-10-21","18:00:00",""
"7702917","28.8424","0.0005","19.601","0.0003","30.8266","0.0005","90","","104.05","0.001","90","","16906.1","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C140 H161 N13 Na2 O69 Tb6 -","- C138 H127 N13 Na2 O56 Tb6 -","- C552 H508 N52 Na8 O224 Tb24 -","4","0.5","","She, Shixiong; Chen, Yanmei; Zaworotko, Michael J.; Liu, Wei; Cao, Yanyuan; Wu, Jian; Li, Yahong","Synthesis, structures and magnetic properties of a family of nitrate-bridged octanuclear [Na2Ln6] (Ln = Dy, Tb, Gd, Sm) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10433","10438","10.1039/c3dt50417d","","","0.71073","MoKα","","0.0552","0.0384","","","0.1089","0.118","","","","","","1.04","","","","has coordinates,has disorder","244809","2020-10-21","18:00:00",""
"7702918","28.6753","0.0015","19.3572","0.001","30.6841","0.0016","90","","104.296","0.003","90","","16504.5","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C140 H161 Gd6 N13 Na2 O70 -","- C138 H127 Gd6 N13 Na2 O55 -","- C552 H508 Gd24 N52 Na8 O220 -","4","0.5","","She, Shixiong; Chen, Yanmei; Zaworotko, Michael J.; Liu, Wei; Cao, Yanyuan; Wu, Jian; Li, Yahong","Synthesis, structures and magnetic properties of a family of nitrate-bridged octanuclear [Na2Ln6] (Ln = Dy, Tb, Gd, Sm) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10433","10438","10.1039/c3dt50417d","","","0.71073","MoKα","","0.0695","0.0511","","","0.1532","0.1663","","","","","","1.061","","","","has coordinates,has disorder","244809","2020-10-21","18:00:00",""
"7702919","28.7428","0.0017","19.4232","0.0011","30.7742","0.0018","90","","104.145","0.003","90","","16659.6","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C140 H165 N13 Na2 O72 Sm6 -","- C138 H127 N13 Na2 O55 Sm6 -","- C552 H508 N52 Na8 O220 Sm24 -","4","0.5","","She, Shixiong; Chen, Yanmei; Zaworotko, Michael J.; Liu, Wei; Cao, Yanyuan; Wu, Jian; Li, Yahong","Synthesis, structures and magnetic properties of a family of nitrate-bridged octanuclear [Na2Ln6] (Ln = Dy, Tb, Gd, Sm) complexes.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10433","10438","10.1039/c3dt50417d","","","0.71073","MoKα","","0.0624","0.0402","","","0.0985","0.1063","","","","","","1.02","","","","has coordinates,has disorder","244809","2020-10-21","18:00:00",""
"8103497","9.41","","9.41","","9.41","","90","","90","","90","","833.238","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Dimanganese Trioxide","","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","0.333333","","Klein, H.","Structure solution of oxides from zone axes precession electron diffraction data","Zeitschrift für Kristallographie - Crystalline Materials","2013","228","1","35","42","10.1524/zkri.2012.1568","","","","","","","","","","","","","","","","","","","","","has coordinates","174965","2020-10-21","18:00:00",""
"9014026","9.132","","19.415","","13.213","","90","","90","","90","","2342.64","","","","","","","","","","","","Tolbachik fumaroles, Kamchatka peninsula, Russia","7","P n n m","-P 2 2n","58","","","Prewittite","- Cl10 Cu6.15 K0.62 O8 Pb1.45 Se2 Zn -","- Cl40 Cu24.6 K2.48 O32 Pb5.8 Se8 Zn4 -","- Cl40 Cu24.6 K2.48 O32 Pb5.8 Se8 Zn4 -","","","","Shuvalov, R. R.; Vergasova, L. P.; Semenova, T. F.; Filatov, S. K.; Krivovichev, S. V.; Siidra, O. I.; Rudashevsky, N. S.","Prewittite, KPb1.5Cu6Zn(SeO3)2O2Cl10, a new mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia: Description and crystal structure","American Mineralogist","2013","98","","463","469","10.2138/am.2013.4174","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014099","23.139","","22.684","","12.389","","90","","102.09","","90","","6358.57","","","","","","","","","","","","Kombat mine, Grootfontein, Namibia","7","C 1 2/c 1","-C 2yc","15","","","Hereroite","- As2.56 Cl9 Mo0.16 O36.7 Pb32 Si0.96 V0.32 -","- As2.56 Cl9 Mo0.16 O36.7 Pb32 Si0.96 V0.32 -","- As10.24 Cl36 Mo0.64 O146.8 Pb128 Si3.84 V1.28 -","4","0.5","","Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S.; Spratt, J.","Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures: Part I. Crystal structure of hereroite, [Pb32O20(O,[_])](AsO4)2[(Si,As,V,Mo)O4]2Cl10","American Mineralogist","2013","98","","248","255","10.2138/am.2013.4241","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9014322","13.569","","13.419","","11.622","","115.82","","107.61","","92.84","","1774.63","","","","","","","","","","","","Joachimsthal, Bohemia","7","P -1","-P 1","2","","","Albrechtschraufite","- C6 H34.56 Ca4 F2 Mg O39.28 U2 -","- C6 H34.56 Ca4 F2 Mg O39.28 U2 -","- C12 H69.12 Ca8 F4 Mg2 O78.56 U4 -","2","1","","Mereiter, K.","The crystal structure of albrechtschraufite, MgCa4F2[UO2(CO3)3]2*17-18H2O","Mineralogy and Petrology","2013","","","pre","print","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014384","6.8556","","13.1725","","6.8901","","90","","90","","90","","622.213","","","","","","","","","","","","Wessels mine, Kalahari Manganese Fields, South Africa","4","P n m a","-P 2ac 2n","62","","","Scottyite","- Ba Cu2 O7 Si2 -","- Ba4 Cu8 O28 Si8 -","- Ba4 Cu8 O28 Si8 -","","","","Yang, H.; Downs, R. T.; Evans, S. H.; Pinch, W. W.","Scottyite, the natural analog of synthetic BaCu2Si2O7, a new mineral from the Wessels mine, Kalahari Manganese Fields, South Africa","American Mineralogist","2013","98","","478","484","10.2138/am.2013.4326","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9014713","12.759","","27.169","","11.515","","90","","90","","90","","3991.67","","","","","","","","","","","","Kombat mine, Grootfontein, Namibia","6","P m m n :2","-P 2ab 2a","59","","","Vladkrivovichevite","- B8 Cl14 H4 Mn2 O45 Pb36 -","- B8 Cl14 H4 Mn2 O45 Pb36 -","- B16 Cl28 H8 Mn4 O90 Pb72 -","2","0.25","","Siidra, O. I.; Krivovichev, S. V.; Turner, R. W.; Rumsey, M. S.; Spratt, J.","Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures: Part II. Crystal structure of vladkrivovichevite, [Pb32O18][Pb4Mn2O]Cl14(BO3)8*2H2O","American Mineralogist","2013","98","","256","261","10.2138/am.2013.4244","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9014793","10.454","","10.454","","10.454","","90","","90","","90","","1142.48","","","","","","","","","","","","Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil","18","F d -3 m :2","-F 4vw 2vw 3","227","","","Hydrokenomicrolite","- Ba0.66 Bi0.02 Ca0.02 Ce0.04 Cs0.03 H6.068 La0.04 Mn0.04 Nb0.1 Nd0.04 O8.92 Pb0.02 Si0.04 Sn0.1 Sr0.54 Ta1.75 Ti0.01 U0.2 -","- Ba0.66 Bi0.02 Ca0.02 Ce0.04 Cs0.03 H6.068 La0.04 Mn0.04 Nb0.1 Nd0.04 O8.92 Pb0.02 Si0.04 Sn0.1 Sr0.54 Ta1.75 Ti0.01 U0.2 -","- Ba5.28 Bi0.16 Ca0.16 Ce0.32 Cs0.24 H48.544 La0.32 Mn0.32 Nb0.8 Nd0.32 O71.36 Pb0.16 Si0.32 Sn0.8 Sr4.32 Ta14 Ti0.08 U1.6 -","8","0.0416667","","Andrade, M. B.; Atencio, D.; Chukanov, N. V.; Ellena, J.","Hydrokenomicrolite, ([_],H2O)2Ta2(O,OH)6(H2O), a new microlite-group mineral from Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil","American Mineralogist","2013","98","","292","296","10.2138/am.2013.4186","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:47:59",""
"9015067","15.9083","","15.9083","","7.1229","","90","","90","","120","","1561.11","","","","","","","","","","","","Urubu mine, Minas Gerais, Brazil","12","R 3 m :H","R 3 -2""","160","","","Fluor-elbaite","- Al21.6 B9 Ca0.06 F2.1 Fe2.727 H17.57 Li2.223 Mn0.27 Na2.49 O90.9 Si18 Zn0.18 -","- Al21.6 B9 Ca0.06 F2.1 Fe2.727 H9.57 Li2.223 Mn0.27 Na2.49 O90.9 Si18 Zn0.18 -","- Al21.6 B9 Ca0.06 F2.1 Fe2.727 H9.57 Li2.223 Mn0.27 Na2.49 O90.9 Si18 Zn0.18 -","1","0.0555556","","Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.","Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: standard SREF","American Mineralogist","2013","98","","297","303","10.2138/am.2013.4285","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9015086","15.441","","15.441","","15.441","","90","","90","","90","","3681.51","","","","","","","","","","","","South Rasmussen phosphate mine, Soda Springs, Caribou County, Idaho, USA","6","I -4 3 m","I -4 2 3","217","","","Phosphovanadylite-Ca","- Al0.78 Ca1.5 H54.64 O45.32 P3 V5.22 -","- Al0.78 Ca1.5 H54.64 O45.32 P3 V5.22 -","- Al3.12 Ca6 H218.56 O181.28 P12 V20.88 -","4","0.0833333","","Kampf, A. R.; Nash, B. P.; Loomis, T. A.","Phosphovanadylite-Ca, Ca[V44+P2O8(OH)8]*12H2O, the Ca analogue of phosphovanadylite-Ba","American Mineralogist","2013","98","","439","443","10.2138/am.2013.4322","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015217","25.93","","25.93","","25.93","","90","","90","","90","","17434.4","","","","","","","","","","","","Langban, Filipstad district, Varmland, Sweden","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Filipstadite","- Fe24.97 Mg35.53 O108 Sb20.496 -","- Fe199.76 Mg284.24 O864 Sb163.968 -","- Fe199.76 Mg284.24 O864 Sb163.968 -","","","","Bonazzi, P.; Chelazzi, L.; Bindi, L.","Superstructure, crystal chemistry, and cation distribution in filipstadite, a Sb5±bearing, spinel-related mineral","American Mineralogist","2013","98","","361","366","10.2138/am.2013.4259","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015515","7.8356","","13.9132","","10.2775","","90","","92.925","","90","","1118.98","","","","","","","","","","","","Big Horn Mountains, Maricopa County, Arizona, USA","5","I 1 2/m 1","-I 2y","12","","","Rongibbsite","- Al H O12 Pb2 Si4 -","- Al4 H4 O48 Pb8 Si16 -","- Al4 H4 O48 Pb8 Si16 -","","","","Yang, H.; Downs, R. T.; Evans, S. H.; Jenkins, R. A.; Bloch, E. M.","Rongibbsite, Pb2(Si4Al)O11(OH), a new zeolitic aluminosilicate mineral with an interrupted framework from Maricopa County, Arizona, U.S.A.","American Mineralogist","2013","98","","236","241","10.2138/am.2013.4252","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9015903","15.9083","","15.9083","","7.1229","","90","","90","","120","","1561.11","","","","","","","","","","","","Urubu mine, Minas Gerais, Brazil","12","R 3 m :H","R 3 -2""","160","","","Fluor-elbaite","- Al7.2 B3 Ca0.02 F0.699 Fe0.909 H6.189 Li0.741 Mn0.09 Na0.83 O30.3 Si6 Zn0.06 -","- Al7.2 B3 Ca0.02 F0.699 Fe0.909 H3.189 Li0.741 Mn0.09 Na0.83 O30.3 Si6 Zn0.06 -","- Al21.6 B9 Ca0.06 F2.097 Fe2.727 H9.567 Li2.223 Mn0.27 Na2.49 O90.9 Si18 Zn0.18 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.","Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: split-site SREF","American Mineralogist","2013","98","","297","303","10.2138/am.2013.4285","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9015960","8.9391","","9.4694","","16.9374","","90","","90","","90","","1433.72","","","","","","","","","","","","Mitsukoshi, Hizen-cho, Karatsu City, Saga Prefecture, Japan","10","P c c n","-P 2ab 2ac","56","","","Lanthanite-(Nd)","- C3 H16 Eu0.03 Gd0.08 La0.61 Nd0.95 O17 Pr0.17 Sm0.12 Y0.04 -","- C3 H16 Eu0.03 Gd0.08 La0.61 Nd0.95 O17 Pr0.17 Sm0.12 Y0.04 -","- C12 H64 Eu0.12 Gd0.32 La2.44 Nd3.8 O68 Pr0.68 Sm0.48 Y0.16 -","4","0.5","","Morrison, S. M.; Andrade, M. B.; Wenz, M. D.; Domanik, K. J.; Downs, R. T.","Lanthanite-(Nd), Nd2(CO3)3*8H2O","Acta Crystallographica, Section E","2013","69","","i15","i16","10.1107/S1600536813003164","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016046","8.6891","","5.7755","","36.9504","","90","","90","","90","","1854.31","","","","","","","","","","","","Piedmontese Nappe from Punta Gensane, Viu Valley, Western Alps, Italy","8","P n m m :2","-P 2c 2bc","59","","","Lavoisierite","- Al9.84 Ca0.84 H12 Mg2.6 Mn6.72 O56 P0.5 Si11.5 -","- Al9.84 Ca0.84 H12 Mg2.6 Mn6.72 O56 P0.5 Si11.5 -","- Al19.68 Ca1.68 H24 Mg5.2 Mn13.44 O112 P Si23 -","2","0.25","","Orlandi, P.; Biagioni, C.; Pasero, M.; Mellini, M.","Lavoisierite, Mn2+8[Al10(Mn3+Mg)][Si11P]O44(OH)12, a new mineral from Piedmont, Italy: the link between ""ardennite"" and sursassite","Physics and Chemistry of Minerals","2013","40","","239","249","10.1007/s00269-013-0564-x","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016323","10.6522","","9.163","","9.6011","","90","","90","","90","","937.126","","","","","","","","","","","","Otto Mountain near Baker, California, USA","6","P c a 21","P 2c -2ac","29","","","Agaite","- C H2 Cu O10 Pb3 Te -","- C H2 Cu O10 Pb3 Te -","- C4 H8 Cu4 O40 Pb12 Te4 -","4","1","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: IX. Agaite, Pb3Cu2+Te6+O5(OH)2(CO3), a new mineral with CuO5-TeO6 polyhedral sheets","American Mineralogist","2013","98","","512","517","10.2138/am.2013.4219","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016478","15.8933","","15.8933","","7.1222","","90","","90","","120","","1558.02","","","","","","","","","","","","Cruzeiro mine, Minas Gerais, Brazil","13","R 3 m :H","R 3 -2""","160","","","Fluor-elbaite","- Al7.149 B3 Ca0.06 F0.759 Fe0.459 H3.24 K0.01 Li1.02 Mn0.279 Na0.78 O30.24 Si6 Zn0.03 -","- Al7.149 B3 Ca0.06 F0.759 Fe0.459 H3.24 K0.01 Li1.02 Mn0.279 Na0.78 O30.24 Si6 Zn0.03 -","- Al21.447 B9 Ca0.18 F2.277 Fe1.377 H9.72 K0.03 Li3.06 Mn0.837 Na2.34 O90.72 Si18 Zn0.09 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.","Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: split-site SREF","American Mineralogist","2013","98","","297","303","10.2138/am.2013.4285","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016494","15.8933","","15.8933","","7.1222","","90","","90","","120","","1558.02","","","","","","","","","","","","Cruzeiro mine, Minas Gerais, Brazil","13","R 3 m :H","R 3 -2""","160","","","Fluor-elbaite","- Al7.149 B3 Ca0.6 F0.76 Fe0.459 H3.24 K0.01 Li1.02 Mn0.279 Na0.78 O30.24 Si6 Zn0.03 -","- Al7.149 B3 Ca0.6 F0.76 Fe0.459 H3.24 K0.01 Li1.02 Mn0.279 Na0.78 O30.24 Si6 Zn0.03 -","- Al21.447 B9 Ca1.8 F2.28 Fe1.377 H9.72 K0.03 Li3.06 Mn0.837 Na2.34 O90.72 Si18 Zn0.09 -","3","0.166667","","Bosi, F.; Andreozzi, G. B.; Skogby, H.; Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.","Fluor-elbaite, Na(Li1.5Al1.5)Al6(Si6O18)(BO3)3(OH)3F, a new mineral species of the tourmaline supergroup Note: standard SREF","American Mineralogist","2013","98","","297","303","10.2138/am.2013.4285","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016519","8.4035","","8.4035","","44.681","","90","","90","","120","","2732.59","","","","","","","","","","","","Otto Mountain near Baker, California, USA","6","R -3 :H","-R 3","148","","","Fuettererite","- Cl5 Cu6 H7 O13 Pb3 Te -","- Cl30 Cu36 H42 O78 Pb18 Te6 -","- Cl30 Cu36 H42 O78 Pb18 Te6 -","","","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Marty, J.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: VIII. Fuettererite, Pb3Cu2+6Te6+O6(OH)7Cl5, a new mineral with double spangolite-type sheets","American Mineralogist","2013","98","","506","511","10.2138/am.2013.4218","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016686","5.5229","","5.5229","","33.399","","90","","90","","90","","1018.75","","","","","","","","","","","","Lengenbach, Binntal, Switzerland","5","P 43 2 2","P 4cw 2c","95","","","Quadratite","- Ag1.994 As2 Cd1.58 Pb0.426 S6 -","- Ag7.976 As8 Cd6.32 Pb1.704 S24 -","- Ag7.976 As8 Cd6.32 Pb1.704 S24 -","","","","Bindi, L.; Spry, P. G.; Bonazzi, P.; Makovicky, E.; Balic-Zunic T","Quadratite, AgCdAsS3:Chemical composition, crystal structure and OD character","American Mineralogist","2013","98","","242","247","10.2138/am.2013.4254","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9016906","15.916","","15.916","","7.1071","","90","","90","","120","","1559.16","","","","","","","","","","","","Zlata Idka, Slovak Republic","10","R 3 m :H","R 3 -2""","160","","","Oxy-schorl","- Al7.807 B3 Ca0.103 Fe1.108 Mg0.572 Mn0.005 Na0.591 O31 Si5.506 Ti0.002 -","- Al23.4207 B9 Ca0.309 Fe3.3237 Mg1.7154 Mn0.0153 Na1.773 O93 Si16.5186 Ti0.0063 -","- Al23.4207 B9 Ca0.309 Fe3.3237 Mg1.7154 Mn0.0153 Na1.773 O93 Si16.5186 Ti0.0063 -","","","","Bacik, P.; Cempirek, J.; Uher, P.; Novak, M.; Ozdin, D.; Filip, J.; Skoda, R.; Breiter, K.; Klementova, M.; Duda, R.; Groat, L. A.","Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic","American Mineralogist","2013","98","","485","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:20",""
"9016907","15.9853","","15.9853","","7.1538","","90","","90","","120","","1583.1","","","","","","","","","","","","Pribyslavice, Czech Republic","13","R 3 m :H","R 3 -2""","160","","","Oxy-schorl","- Al6.801 B3 Ca0.017 F0.307 Fe1.957 H6.115 K0.006 Mg0.19 Mn0.015 Na0.586 O30.694 Si5.944 Ti0.093 -","- Al6.8007 B3 Ca0.017 F0.307 Fe1.9569 H3.115 K0.006 Mg0.1902 Mn0.015 Na0.586 O30.694 Si5.9442 Ti0.093 -","- Al20.4021 B9 Ca0.051 F0.921 Fe5.8707 H9.345 K0.018 Mg0.5706 Mn0.045 Na1.758 O92.082 Si17.8326 Ti0.279 -","3","0.166667","","Bacik, P.; Cempirek, J.; Uher, P.; Novak, M.; Ozdin, D.; Filip, J.; Skoda, R.; Breiter, K.; Klementova, M.; Duda, R.; Groat, L. A.","Oxy-schorl, Na(Fe2+2Al)Al6Si6O18(BO3)3(OH)3O, a new mineral from Zlata Idka, Slovak Republic and Pribyslavice, Czech Republic","American Mineralogist","2013","98","","485","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9016908","16.1908","","16.1908","","7.4143","","90","","90","","120","","1683.21","","","","","","","","","","","","Sludyanka complex, southern Baikal region, Russia","7","R 3 m :H","R 3 -2""","160","","","Oxy-vanadium-dravite","- B3 H3 Mg2.586 Na O31 Si6 V6.189 -","- B3 H3 Mg2.586 Na1.029 O31 Si6 V6.189 -","- B9 H9 Mg7.758 Na3.087 O93 Si18 V18.567 -","3","0.166667","","Bosi, F.; Reznitskii, L.; Sklyarov, E. V.","Oxy-vanadium-dravite, NaV3(V4Mg2)(Si6O18)(BO3)3(OH)3O: Crystal structure and redefinition of the ""vanadium-dravite"" tourmaline","American Mineralogist","2013","98","","501","505","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:00",""
"9016909","15.7018","","15.7018","","11.8648","","90","","90","","90","","2925.23","","","","","","","","","","","","Langban Mn-Fe deposit, central Sweden","9","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al5.608 Bi0.496 Ca8.701 Ce0.043 Fe0.612 Mg0.156 Mn0.344 O39 Si8.66 -","- Al22.7584 Bi1.984 Ca34.8056 Ce0.172 Fe2.448 Mg0.624 Mn1.376 O156 Si34.64 -","- Al22.7584 Bi1.984 Ca34.8056 Ce0.172 Fe2.448 Mg0.624 Mn1.376 O156 Si34.64 -","","","","Halenius, U.; Bosi, F.; Gatedal, K.","Crystal structure and chemistry of skarn-associated bismuthian vesuvianite","American Mineralogist","2013","98","","566","573","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:21",""
"9016910","9.8076","","18.0004","","5.2804","","90","","104.575","","90","","902.206","","","","","","","","","","","","Synthetic","7","C 1 2/m 1","-C 2y","12","","","Winchite","- Al0.596 Ca1.42 H2 Mg4.74 Na0.6 O24 Si7.824 -","- Al1.192 Ca2.84 H4 Mg9.48 Na1.2 O48 Si15.648 -","- Al1.192 Ca2.84 H4 Mg9.48 Na1.2 O48 Si15.648 -","","","","Jenkins, D. M.; Della Ventura, G.; Oberti, R.; Bozhilov, K.","Synthesis and characterization of amphiboles along the tremolite-glaucophane join Note: Sample WIN 9-1","American Mineralogist","2013","98","","588","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:23",""
"9016911","9.7739","","17.9636","","5.2659","","90","","104.423","","90","","895.418","","","","","","","","","","","","Synthetic","7","C 1 2/m 1","-C 2y","12","","","Winchite","- Al0.618 Ca1.42 H2 Mg4.88 Na0.65 O24 Si7.712 -","- Al1.236 Ca2.84 H4 Mg9.76 Na1.3 O48 Si15.424 -","- Al1.236 Ca2.84 H4 Mg9.76 Na1.3 O48 Si15.424 -","","","","Jenkins, D. M.; Della Ventura, G.; Oberti, R.; Bozhilov, K.","Synthesis and characterization of amphiboles along the tremolite-glaucophane join Note: Sample WIN 4-2","American Mineralogist","2013","98","","588","600","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:45:34",""
"9016912","5.3235","","5.3235","","30.188","","90","","90","","120","","740.9","","","","","","","","","","","","Kasenyi kamafugite, southwest Uganda","12","P 31 1 2","P 31 2 (0 0 4)","151","","","Phlogopite","- Al1.15 Cr0.05 F0.03 Fe0.36 H1.32 K0.92 Mg2.28 Na0.04 Ni0.01 O11.97 Si2.88 Ti0.27 -","- Al1.095 Cr0.05 F0.03 Fe0.28 H1.32 K0.92 Mg1.915 Na0.04 Ni0.01 O11.97 Si2.88 Ti0.27 -","- Al3.285 Cr0.15 F0.09 Fe0.84 H3.96 K2.76 Mg5.745 Na0.12 Ni0.03 O35.91 Si8.64 Ti0.81 -","3","0.5","","Schingaro, E.; Lacalamita, M.; Scordari, F.; Mesto, E.","3T-phlogopite from Kasenyi kamafugite (SW Uganda): EPMA, XPS, FTIR, and SCXRD study","American Mineralogist","2013","98","","709","717","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9016913","18.3","","14.2331","","17.9192","","90","","90","","90","","4667.34","","","","","","","","","","","","Teofilo Otoni, Minas Gerais, Brazil","5","P b c n","-P 2n 2ab","60","","","Haiweeite","- Ca H17 O25.5 Si5 U2 -","- Ca H17 O25.5 Si5 U2 -","- Ca8 H136 O204 Si40 U16 -","8","1","","Plasil, J.; Fejfarova, K.; Cejka, J.; Dusek, M.; Skoda, R.; Sejkora, J.","Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)2(Si5O12)(OH)2*6H2O","American Mineralogist","2013","98","","718","723","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016914","8.448","","8.448","","8.448","","90","","90","","90","","602.923","","","","","","","","5580000","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Ulvospinel","- Fe2 O4 Ti -","- Fe16 O32 Ti8 -","- Fe16 O32 Ti8 -","","","","Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Meng, Y.; Kharlamova, S.; Struzhkin, V. V.; Mao, H.","High-pressure phase transitions of Fe3-xTixO4 solid solution up to 60 GPa correlated with electronic spin transition Note: P = 5.58 GPa","American Mineralogist","2013","98","","736","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:46:20",""
"9016915","8.521","","8.521","","8.521","","90","","90","","90","","618.688","","","","","","","","7000000","","","","Synthetic","3","F d -3 m :1","F 4d 2 3 -1d","227","","","Ulvospinel","- Fe2 O4 Ti -","- Fe16 O32 Ti8 -","- Fe16 O32 Ti8 -","","","","Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Meng, Y.; Kharlamova, S.; Struzhkin, V. V.; Mao, H.","High-pressure phase transitions of Fe3-xTixO4 solid solution up to 60 GPa correlated with electronic spin transition Note: P = 7 GPa","American Mineralogist","2013","98","","736","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:46:41",""
"9016916","5.9052","","5.9052","","8.1834","","90","","90","","90","","285.367","","","","","","","","14000000","","","","Synthetic","3","I 41/a m d :2","-I 4bd 2","141","","","Ulvospinel","- Fe2 O4 Ti -","- Fe8 O16 Ti4 -","- Fe8 O16 Ti4 -","","","","Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Meng, Y.; Kharlamova, S.; Struzhkin, V. V.; Mao, H.","High-pressure phase transitions of Fe3-xTixO4 solid solution up to 60 GPa correlated with electronic spin transition Note: P = 14 GPa","American Mineralogist","2013","98","","736","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:47:09",""
"9016917","2.685","","9.228","","9.099","","90","","90","","90","","225.448","","","","","","","","50000000","","","","Synthetic","3","C m c m","-C 2c 2","63","","","Ulvospinel","- Fe2 O4 Ti -","- Fe8 O16 Ti4 -","- Fe8 O16 Ti4 -","","","","Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Meng, Y.; Kharlamova, S.; Struzhkin, V. V.; Mao, H.","High-pressure phase transitions of Fe3-xTixO4 solid solution up to 60 GPa correlated with electronic spin transition Note: P = 50 GPa","American Mineralogist","2013","98","","736","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:47:32",""
"9016918","9.059","","2.659","","9.166","","90","","90","","90","","220.79","","","","","","","","61000000","","","","Synthetic","3","P m m a","-P 2a 2a","51","","","Ulvospinel","- Fe2 O4 Ti -","- Fe8 O16 Ti4 -","- Fe8 O16 Ti4 -","","","","Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Meng, Y.; Kharlamova, S.; Struzhkin, V. V.; Mao, H.","High-pressure phase transitions of Fe3-xTixO4 solid solution up to 60 GPa correlated with electronic spin transition Note: P = 61 GPa","American Mineralogist","2013","98","","736","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:47:50",""
"9016919","9.842","","9.842","","9.842","","90","","90","","90","","953.345","","","","","","","","","","","","Allende meteorite","13","I a -3","-I 2b 2c 3","206","","","Kangite","- Al0.16 Ca0.06 Dy0.01 Er0.01 Fe0.02 Gd0.01 Mg0.11 O3 Sc0.54 Ti0.66 V0.03 Y0.07 Zr0.13 -","- Al2.56 Ca0.96 Dy0.16 Er0.16 Fe0.32 Gd0.16 Mg1.76 O48 Sc8.64 Ti10.56 V0.48 Y1.12 Zr2.08 -","- Al2.56 Ca0.96 Dy0.16 Er0.16 Fe0.32 Gd0.16 Mg1.76 O48 Sc8.64 Ti10.56 V0.48 Y1.12 Zr2.08 -","","","","Ma, C.; Tschauner, O.; Beckett, J. R.; Rossman, G. R.; Liu, W.","Kangite, (Sc,Ti,Al,Zr,Mg,Ca,[_])2O3, a new ultra-refractory scandia mineral from the Allende meteorite: Synchrotron micro-Laue diffraction and electron backscatter diffraction Note: x-coordinate of Sc2, and coordinates of O atoms are changed by personal email with authors May 2013","American Mineralogist","2013","98","","870","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:48:16",""
"9016920","6.9764","","19.3507","","8.387","","90","","107.519","","90","","1079.71","","","","","","","","","","","","Mina Herminia, Julcani Mining District, Huancavelica, Peru","5","P 1 21/c 1","-P 2ybc","14","","","Terrywallaceite","- Ag Bi1.47 Pb S6 Sb1.53 -","- Ag4 Bi5.88 Pb4 S24 Sb6.12 -","- Ag4 Bi5.88 Pb4 S24 Sb6.12 -","","","","Yang, H.; Downs, R. T.; Evans, S. H.; Pinch, W. W.","Terrywallaceite, AgPb(Sb,Bi)3S6, isotypic with gustavite, a new mineral from Mina Herminia, Julcani Mining District, Huancavelica, Peru","American Mineralogist","2013","98","","1310","1131","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:48:37",""
"9016921","5.3192","","9.2181","","10.1096","","90","","100.168","","90","","487.918","","","","","","","","","","","","Piano delle Concazze, Mt. Etna, Italy","6","C 1 2/m 1","-C 2y","12","","","Fluorophlogopite","- F2 Fe0.605 K0.905 Mg2.395 O10 Si3.944 -","- F4 Fe1.211 K1.8098 Mg4.7904 O20 Si7.8888 -","- F4 Fe1.211 K1.8098 Mg4.7904 O20 Si7.8888 -","","","","Scordari, F.; Schingaro, E.; Ventruti, G.; Nicotra, E.; Viccaro, M.; Tagliani, S. M.","Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry and implications for the crystallization conditions Note: Sample E0","American Mineralogist","2013","98","","1017","1025","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:48:59",""
"9016922","5.3239","","9.2204","","10.1192","","90","","100.185","","90","","488.909","","","","","","","","","","","","Piano delle Concazze, Mt. Etna, Italy","6","C 1 2/m 1","-C 2y","12","","","Fluorophlogopite","- F2 Fe0.62 K0.913 Mg2.38 O10 Si3.928 -","- F4 Fe1.2392 K1.8262 Mg4.76 O20 Si7.8552 -","- F4 Fe1.2392 K1.8262 Mg4.76 O20 Si7.8552 -","","","","Scordari, F.; Schingaro, E.; Ventruti, G.; Nicotra, E.; Viccaro, M.; Tagliani, S. M.","Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry and implications for the crystallization conditions Note: Sample E1","American Mineralogist","2013","98","","1017","1025","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:49:17",""
"9016923","5.32","","9.2138","","10.113","","90","","100.228","","90","","487.836","","","","","","","","","","","","Piano delle Concazze, Mt. Etna, Italy","6","C 1 2/m 1","-C 2y","12","","","Fluorophlogopite","- F2 Fe0.61 K0.894 Mg2.39 O10 Si3.945 -","- F4 Fe1.2202 K1.7878 Mg4.779 O20 Si7.8896 -","- F4 Fe1.2202 K1.7878 Mg4.779 O20 Si7.8896 -","","","","Scordari, F.; Schingaro, E.; Ventruti, G.; Nicotra, E.; Viccaro, M.; Tagliani, S. M.","Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry and implications for the crystallization conditions Note: Sample E2","American Mineralogist","2013","98","","1017","1025","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:49:47",""
"9016924","5.3237","","9.2221","","10.1159","","90","","100.249","","90","","488.723","","","","","","","","","","","","Piano delle Concazze, Mt. Etna, Italy","6","C 1 2/m 1","-C 2y","12","","","Fluorophlogopite","- F2 Fe0.232 K0.897 Mg2.767 O10 Si3.923 -","- F4 Fe0.4646 K1.794 Mg5.5332 O20 Si7.8464 -","- F4 Fe0.4646 K1.794 Mg5.5332 O20 Si7.8464 -","","","","Scordari, F.; Schingaro, E.; Ventruti, G.; Nicotra, E.; Viccaro, M.; Tagliani, S. M.","Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry and implications for the crystallization conditions Note: Sample E3","American Mineralogist","2013","98","","1017","1025","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:50:14",""
"9016925","9.793","","9.078","","5.238","","90","","106.27","","90","","447.014","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Ferrosilite","- Ca0.5 Fe1.5 O6 Si2 -","- Ca2 Fe6 O24 Si8 -","- Ca2 Fe6 O24 Si8 -","","","","Abdu, Y. A.; Hawthorne, F. C.","Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)- ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution Note split-M2-O2-O3 model Sample: Hd50Fs50","American Mineralogist","2013","98","","1227","1234","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:50:53",""
"9016927","9.806","","9.068","","5.238","","90","","105.92","","90","","447.903","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.6 Fe1.4 O6 Si2 -","- Ca2.4 Fe5.6 O24 Si8 -","- Ca2.4 Fe5.6 O24 Si8 -","","","","Abdu, Y. A.; Hawthorne, F. C.","Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)- ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution Note split-M2-O2-O3 model Sample: Hd60Fs40","American Mineralogist","2013","98","","1227","1234","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:51:48",""
"9016928","9.819","","9.056","","5.242","","90","","105.61","","90","","448.931","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Hedenbergite","- Ca0.7 Fe1.3 O6 Si2 -","- Ca2.8 Fe5.2 O24 Si8 -","- Ca2.8 Fe5.2 O24 Si8 -","","","","Abdu, Y. A.; Hawthorne, F. C.","Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)- ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution Note split-M2-O2-O3 model Sample: Hd70Fs30","American Mineralogist","2013","98","","1227","1234","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:51:52",""
"9016929","9.794","","8.953","","5.243","","90","","105.66","","90","","442.671","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","","- Ca0.8 Co1.2 O6 Si2 -","- Ca3.2 Co4.8 O24 Si8 -","- Ca3.2 Co4.8 O24 Si8 -","","","","Mantovani, L.; Tribaudino, M.; Mezzadri, F.; Calestani, G.; Bromiley, G.","The structure of (Ca,Co)CoSi2O6 pyroxenes and the Ca-M2+ substitution in (Ca,M2+)M2+Si2O6 pyroxenes (M2+=Co,Fe,Mg) Sample: Ca0.8Co0.2","American Mineralogist","2013","98","","1241","1252","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:06",""
"9016930","9.7754","","8.9686","","5.2421","","90","","106.302","","90","","441.106","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","","- Ca0.6 Co1.4 O6 Si2 -","- Ca2.4 Co5.6 O24 Si8 -","- Ca2.4 Co5.6 O24 Si8 -","","","","Mantovani, L.; Tribaudino, M.; Mezzadri, F.; Calestani, G.; Bromiley, G.","The structure of (Ca,Co)CoSi2O6 pyroxenes and the Ca-M2+ substitution in (Ca,M2+)M2+Si2O6 pyroxenes (M2+=Co,Fe,Mg) Sample: Ca0.6Co0.4","American Mineralogist","2013","98","","1241","1252","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:20",""
"9016931","9.747","","8.982","","5.249","","90","","107.46","","90","","438.365","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","","- Ca0.4 Co1.6 O6 Si2 -","- Ca1.6 Co6.4 O24 Si8 -","- Ca1.6 Co6.4 O24 Si8 -","","","","Mantovani, L.; Tribaudino, M.; Mezzadri, F.; Calestani, G.; Bromiley, G.","The structure of (Ca,Co)CoSi2O6 pyroxenes and the Ca-M2+ substitution in (Ca,M2+)M2+Si2O6 pyroxenes (M2+=Co,Fe,Mg) Sample: Ca0.4Co0.6","American Mineralogist","2013","98","","1241","1252","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:30",""
"9016932","7.4863","","10.1933","","9.7895","","90","","103.18","","90","","727.36","","","","173","","","","","","","","Zdravo Vrelo, near Kresevo (Bosnia and Herzegovina)","5","P 1 21/c 1","-P 2ybc","14","","","Veszelyite","- Cu1.75 H7 O9 P Zn1.25 -","- Cu1.75 H7 O9 P Zn1.25 -","- Cu7 H28 O36 P4 Zn5 -","4","1","","Danisi, R. M.; Armbruster, T.; Lazic, B.; Vulic, P.; Kaindl, R.; Dimitrijevic, R.; Kahlenberg, V.","In situ dehydration behavior of veszelyite (Cu,Zn)2Zn(PO4)(OH)3*2H2O: A single-crystal X-ray study Note: T = 173 K","American Mineralogist","2013","98","","1261","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016933","7.5096","","10.2281","","9.8258","","90","","103.304","","90","","734.455","","","","296","","","","","","","","Zdravo Vrelo, near Kresevo (Bosnia and Herzegovina)","5","P 1 21/c 1","-P 2ybc","14","","","Veszelyite","- Cu2 H7 O9 P Zn -","- Cu2 H7 O9 P Zn -","- Cu8 H28 O36 P4 Zn4 -","4","1","","Danisi, R. M.; Armbruster, T.; Lazic, B.; Vulic, P.; Kaindl, R.; Dimitrijevic, R.; Kahlenberg, V.","In situ dehydration behavior of veszelyite (Cu,Zn)2Zn(PO4)(OH)3*2H2O: A single-crystal X-ray study Note: T = 296 K","American Mineralogist","2013","98","","1261","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016934","7.252","","9.233","","10.52","","90","","102.076","","90","","688.808","","","","473","","","","","","","","Zdravo Vrelo, near Kresevo (Bosnia and Herzegovina)","5","P 1 21/c 1","-P 2ybc","14","","","Veszelyite","- Cu2 H5 O8 P Zn -","- Cu2 H5 O8 P Zn -","- Cu8 H20 O32 P4 Zn4 -","4","1","","Danisi, R. M.; Armbruster, T.; Lazic, B.; Vulic, P.; Kaindl, R.; Dimitrijevic, R.; Kahlenberg, V.","In situ dehydration behavior of veszelyite (Cu,Zn)2Zn(PO4)(OH)3*2H2O: A single-crystal X-ray study Note: T = 473 K","American Mineralogist","2013","98","","1261","1269","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016935","6.9263","","10.4356","","13.5234","","90","","90","","90","","977.473","","","","20","","","","","","","","Chamachhu, Skarda district, Baltistan, Pakistan","6","C m c e","-C 2ac 2","64","","","Eosphorite","- Al Fe0.056 H3.994 Mn0.943 O7 P -","- Al8 Fe0.452 H31.952 Mn7.548 O56 P8 -","- Al8 Fe0.452 H31.952 Mn7.548 O56 P8 -","","","","Diego Gatta, G.; Nenert, G.; Vignola, P.","Coexisting hydroxyl groups and H2O molecules in minerals: A single-crystal neutron diffraction study of eosphorite, MnAlPO4(OH)2*H2O Note: T = 20 K","American Mineralogist","2013","98","","1297","1301","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:47",""
"9016936","15.524","","19.218","","6.161","","90","","90","","90","","1838.07","","","","","","","","","","","","Diana Cave, Romania","5","P c n b","-P 2b 2ac","60","","","Rapidcreekite","- C H8 Ca2 O11 S -","- C H8 Ca2 O11 S -","- C8 H64 Ca16 O88 S8 -","8","1","","Onac, B. P.; Effenberger, H. S.; Wynn, J. G.; Povara, I.","Rapidcreekite in the sulfuric acid weathering environment of Diana Cave, Romania","American Mineralogist","2013","98","","1302","1309","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016937","14.3126","","5.2267","","9.4878","","90","","106.815","","90","","679.414","","","","","","","","","","","","Otto Mountain near Baker, California, USA","6","P 1 21/c 1","-P 2ybc","14","","","Bairdite","- Cu2 H2 O8.5 Pb0.999 S0.5 Te -","- Cu2 H2 O8.5 Pb0.999 S0.5 Te -","- Cu8 H8 O34 Pb3.996 S2 Te4 -","4","1","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rossman, G. R.; Marty, J.; Thorne, B.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: X. Bairdite, Pb2Cu2+4Te6+2O10(OH)2(SO4)(H2O), a new mineral with thick HCP layers","American Mineralogist","2013","98","","1315","1321","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016938","7.8412","","11.0313","","11.387","","90","","90","","90","","984.96","","","","","","","","","","","","Dora-Maira massif, Western Alps, Italy","13","P m n a","-P 2ac 2","53","","","Lusernaite-(Y)","- C2 H22.34 Al Ca0.05 Dy0.17 Er0.15 F0.66 Gd0.07 O22.34 Pb0.057 Sm0.01 Y3.41 Yb0.09 -","- C2 H22.34 Al Ca0.05 Dy0.17 Er0.15 F0.66 Gd0.07 O22.34 Pb0.057 Sm0.01 Y3.41 Yb0.09 -","- C4 H44.68 Al2 Ca0.1 Dy0.34 Er0.3 F1.32 Gd0.14 O44.68 Pb0.114 Sm0.02 Y6.82 Yb0.18 -","2","0.25","","Biagioni, C.; Bonaccorsi, E.; Camara, F.; Cadoni, M.; Ciriotti, M. E.; Bersani, D.; Kolitsch, U.","Lusernaite-(Y), Y4Al(CO3)2(OH,F)11*6H2O, a new mineral species from Luserna Valley, Piedmont, Italy: Description and crystal structure","American Mineralogist","2013","98","","1322","1329","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9016939","15.725","","15.725","","11.7736","","90","","90","","90","","2911.32","","","","","","","","","","","","","7","P 4/n n c :2","-P 4a 2bc","126","","","Vesuvianite","- Al8.759 As0.416 B2.604 Ca18.696 Fe4.36 O79.048 Si17.769 -","- Al8.7592 As0.416 B2.604 Ca18.696 Fe4.36 O79.048 Si17.7688 -","- Al17.5184 As0.832 B5.208 Ca37.392 Fe8.72 O158.096 Si35.5376 -","2","0.125","","Groat, L. A.; Evans, R. J.; Cempirek, J.; McCammon, C.; Houzar, S.","Fe-rich and As-bearing vesuvianite and wiluite from Kozlov, Czech Republic","American Mineralogist","2013","98","","1330","1337","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:02",""
"9016940","5.8882","","6.8408","","8.9334","","90","","104.798","","90","","347.902","","","","","","","","8900000","","","","Synthetic","3","I 1 2 1","I 2y","5","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca8 H16 O16 -","8","2","","Iizuka, R.; Yagi, T.; Komatsu, K.; Gotou, H.; Tsuchiya, T.; Kusaba, K.; Kagi, H.","Crystal structure of the high-pressure phase of calcium hydroxide, portlandite: In situ powder and single crystal X-ray diffraction study Note: P = 8.9 GPa","American Mineralogist","2013","98","","1421","1428","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016941","15.9273","","15.9273","","7.2001","","90","","90","","120","","1581.81","","","","","","","","","","","","Osarara, Narok district, Kenya","10","R 3 m :H","R 3 -2""","160","","","Oxy-dravite","- Al6.291 B3 Fe0.627 H3.24 K0.02 Mg2.061 Na0.83 O31 Si6 Ti0.021 -","- Al6.291 B3 Fe0.627 H3.24 K0.02 Mg2.061 Na0.83 O31 Si6 Ti0.021 -","- Al18.873 B9 Fe1.881 H9.72 K0.06 Mg6.183 Na2.49 O93 Si18 Ti0.063 -","3","0.166667","","Bosi, F.; Skogby, H.","Oxy-dravite, Na(Al2Mg)(Al5Mg)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup","American Mineralogist","2013","98","","1442","1448","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016942","18.281","","8.8732","","5.207","","90","","90","","90","","844.633","","","","","","","","","","","","Wilson Terrane, North Victoria Land, Antarctica","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.292 Mg0.709 O3 Si -","- Fe4.664 Mg11.336 O48 Si16 -","- Fe4.664 Mg11.336 O48 Si16 -","","","","Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.","Ordering state in orthopyroxene as determined by precession electron diffraction","American Mineralogist","2013","98","","1526","1534","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9016943","18.3022","","8.8816","","5.2082","","90","","90","","90","","846.608","","","","","","","","","","","","Wilson Terrane, North Victoria Land, Antarctica","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.296 Mg0.704 O3 Si -","- Fe4.744 Mg11.256 O48 Si16 -","- Fe4.744 Mg11.256 O48 Si16 -","","","","Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.","Ordering state in orthopyroxene as determined by precession electron diffraction","American Mineralogist","2013","98","","1526","1534","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9016944","18.281","","8.8732","","5.207","","90","","90","","90","","844.633","","","","","","","","","","","","Wilson Terrane, North Victoria Land, Antarctica","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.292 Mg0.709 O3 Si -","- Fe4.664 Mg11.336 O48 Si16 -","- Fe4.664 Mg11.336 O48 Si16 -","","","","Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.","Ordering state in orthopyroxene as determined by precession electron diffraction","American Mineralogist","2013","98","","1526","1534","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9016945","18.3022","","8.8816","","5.2082","","90","","90","","90","","846.608","","","","","","","","","","","","Wilson Terrane, North Victoria Land, Antarctica","4","P b c a","-P 2ac 2ab","61","","","Enstatite","- Fe0.296 Mg0.704 O3 Si -","- Fe4.744 Mg11.256 O48 Si16 -","- Fe4.744 Mg11.256 O48 Si16 -","","","","Jacob, D.; Palatinus, L.; Cuvillier, P.; Leroux, H.; Domeneghetti, C.; Camara, F.","Ordering state in orthopyroxene as determined by precession electron diffraction","American Mineralogist","2013","98","","1526","1534","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9016946","16.0032","","16.0032","","7.2823","","90","","90","","120","","1615.15","","","","","","","","","","","","Sludyanka crystalline complex, Lake Baikal, Russia","14","R 3 m :H","R 3 -2""","160","","","Chromo-alumino-povondraite","- Al3.807 B3 Ca0.19 Cr2.103 F0.23 Fe0.468 H3.08 K0.02 Mg2.412 Na0.76 O30.77 Si6 Ti0.06 V0.192 -","- Al3.807 B3 Ca0.19 Cr2.103 F0.23 Fe0.468 H3.08 K0.02 Mg2.412 Na0.76 O30.77 Si6 Ti0.06 V0.192 -","- Al11.421 B9 Ca0.57 Cr6.309 F0.69 Fe1.404 H9.24 K0.06 Mg7.236 Na2.28 O92.31 Si18 Ti0.18 V0.576 -","3","0.166667","","Bosi, F.; Skogby, H.; Halenius, U.; Reznitskii, L.","Crystallographic and spectroscopic characterization of Fe-bearing chromo-alumino-povondraite and its relations with oxy-chromium-dravite and oxy-dravite","American Mineralogist","2013","98","","1557","1564","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016947","9.986","","9.986","","7.3378","","90","","90","","120","","633.694","","","","","","","","","","","","Daoping mine, Guangxi, China","5","P 63/m","-P 6c","176","","","Pyromorphite","- Ca0.01 Cl0.956 O12 P2.913 Pb4.695 -","- Ca0.02 Cl1.912 O24 P5.826 Pb9.39 -","- Ca0.02 Cl1.912 O24 P5.826 Pb9.39 -","","","","Okudera, H.","Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)","American Mineralogist","2013","98","","1573","1579","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9016948","9.9791","","9.9791","","7.3439","","90","","90","","120","","633.345","","","","","","","","","","","","Daoping mine, Guangxi, China","5","P 63/m","-P 6c","176","","","Pyromorphite","- Ca0.01 Cl0.956 O12 P2.913 Pb4.695 -","- Ca0.02 Cl1.912 O24 P5.826 Pb9.39 -","- Ca0.02 Cl1.912 O24 P5.826 Pb9.39 -","","","","Okudera, H.","Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)","American Mineralogist","2013","98","","1573","1579","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9016949","10.3231","","10.3231","","7.3399","","90","","90","","120","","677.394","","","","","","","","","","","","Mibladen, Morocco","5","P 63/m","-P 6c","176","","","Vanadinite","- Cl0.915 O12 P0.012 Pb4.51 V2.976 -","- Cl1.83 O24 P0.024 Pb9.02 V5.952 -","- Cl1.83 O24 P0.024 Pb9.02 V5.952 -","","","","Okudera, H.","Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)","American Mineralogist","2013","98","","1573","1579","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9016950","10.3217","","10.3217","","7.3407","","90","","90","","120","","677.284","","","","","","","","","","","","Mibladen, Morocco","5","P 63/m","-P 6c","176","","","Vanadinite","- Cl0.915 O12 P0.012 Pb4.51 V2.976 -","- Cl1.83 O24 P0.024 Pb9.02 V5.952 -","- Cl1.83 O24 P0.024 Pb9.02 V5.952 -","","","","Okudera, H.","Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)","American Mineralogist","2013","98","","1573","1579","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9016951","10.2382","","10.2382","","7.4502","","90","","90","","120","","676.31","","","","","","","","","","","","Pingtouling mine, Guangdong, China","5","P 63/m","-P 6c","176","","","Mimetite","- As2.775 Cl O12 P0.036 Pb5 -","- As5.55 Cl2 O24 P0.072 Pb9.99 -","- As5.55 Cl2 O24 P0.072 Pb9.99 -","","","","Okudera, H.","Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)","American Mineralogist","2013","98","","1573","1579","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9016952","10.2396","","10.2396","","7.4405","","90","","90","","120","","675.614","","","","","","","","","","","","Pingtouling mine, Guangdong, China","5","P 63/m","-P 6c","176","","","Mimetite","- As2.775 Cl O12 P0.036 Pb5 -","- As5.55 Cl2 O24 P0.072 Pb9.99 -","- As5.55 Cl2 O24 P0.072 Pb9.99 -","","","","Okudera, H.","Relationships among channel typology and atomic displacements in the structures of Pb5(BO4)3Cl with B = P (pyromorphite), V (vanadinite), and As (mimetite)","American Mineralogist","2013","98","","1573","1579","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:49",""
"9016953","9.7199","","9.7221","","6.9651","","90.077","","90.051","","119.944","","570.327","","","","","","","","","","","","Harstigen mine, Varmland, Sweden","5","P 63/m","-P 6c","176","","","Johnbaumite","- As2.79 Ca5 H O13 P0.21 -","- As2.79 Ca5 H O13 P0.21 -","- As5.58 Ca10 H2 O26 P0.42 -","2","0.166667","","Biagioni, C.; Pasero, M.","The crystal structure of johnbaumite, Ca5(AsO4)3OH, the arsenate analogue of hydroxylapatite","American Mineralogist","2013","98","","1580","1584","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016954","5.2522","","5.2522","","18.69","","90","","90","","120","","446.501","","","","","","","","","","synthesized at 15 GPa and 1300 deg C","synthesized at 15 GPa","Synthetic","3","R -3 m :H","-R 3 2""","166","","","Tuite","- Ca3 O8 P2 -","- Ca9 O24 P6 -","- Ca9 O24 P6 -","","","","Thompson, R. M.; Xie, X.; Zhai, S.; Downs, R. T.; Yang, H.","A comparison of the Ca3(PO4)2 and CaSiO3 systems, with a new structure refinement of tuite synthesized at 15 GPa and 1300 deg C","American Mineralogist","2013","98","","1585","1592","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:50",""
"9016955","15.84","","15.84","","7.091","","90","","90","","120","","1540.81","","","","","","","","","","","","Synthetic","7","R 3 m :H","R 3 -2""","160","","","Olenite","- Al8.34 B3 Cu1.26 H3 Na0.86 O31 Si5.4 -","- Al25.02 B9 Cu3.78 H9 Na2.58 O93 Si16.2 -","- Al25.02 B9 Cu3.78 H9 Na2.58 O93 Si16.2 -","","","","Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A.; Mashkovtsev, R. I.","Crystal chemistry of Cu-bearing tourmalines Note: Sample 1","American Mineralogist","2013","98","","1610","1616","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:50",""
"9016956","15.881","","15.881","","7.112","","90","","90","","120","","1553.38","","","","","","","","","","","","Paraiba, Brazil","13","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.65 B3 Ca0.03 Cu0.348 F0.06 Fe0.03 H6 Li0.75 Mn0.18 Na0.9 O30.8 Si5.7 Zn0.342 -","- Al22.95 B9 Ca0.09 Cu1.044 F0.18 Fe0.09 H18 Li2.25 Mn0.54 Na2.7 O92.4 Si17.1 Zn1.026 -","- Al22.95 B9 Ca0.09 Cu1.044 F0.18 Fe0.09 H18 Li2.25 Mn0.54 Na2.7 O92.4 Si17.1 Zn1.026 -","","","","Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A.; Mashkovtsev, R. I.","Crystal chemistry of Cu-bearing tourmalines Note: Sample 2","American Mineralogist","2013","98","","1610","1616","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:50",""
"9016957","15.84","","15.84","","7.1028","","90","","90","","120","","1543.37","","","","","","","","","","","","Paraiba, Brazil","11","R 3 m :H","R 3 -2""","160","","","Elbaite","- Al7.74 B3 Ca0.09 Cu0.18 F0.06 H3 Li1.08 Mn0.3 Na0.65 O30.82 Si5.7 -","- Al23.22 B9 Ca0.27 Cu0.54 F0.18 H9 Li3.24 Mn0.9 Na1.95 O92.46 Si17.1 -","- Al23.22 B9 Ca0.27 Cu0.54 F0.18 H9 Li3.24 Mn0.9 Na1.95 O92.46 Si17.1 -","","","","Vereshchagin, O. S.; Rozhdestvenskaya, I. V.; Frank-Kamenetskaya O V; Zolotarev, A. A.; Mashkovtsev, R. I.","Crystal chemistry of Cu-bearing tourmalines Note: Sample 3","American Mineralogist","2013","98","","1610","1616","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:50",""
"9016958","8.1606","","5.3076","","11.4412","","90","","101.549","","90","","485.522","","","","","","","","","","","","Otto Mountain near Baker, California, USA","8","P 1 21/n 1","-P 2yn","14","","","Eckhardite","- Ca0.962 Cu0.971 Fe0.002 H2 Mg0.005 O6 Pb0.073 Te0.986 -","- Ca0.962 Cu0.971 Fe0.002 H2 Mg0.005 O6 Pb0.073 Te0.986 -","- Ca3.848 Cu3.884 Fe0.008 H8 Mg0.02 O24 Pb0.292 Te3.944 -","4","1","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rossman, G. R.; Marty, J.; Thorne, B.","Lead-tellurium oxysalts from Otto Mountain near Baker, California: XI. Eckhardite, (Ca,Pb)Cu2+Te6+O5(H2O), a new mineral with HCP stair-step layers","American Mineralogist","2013","98","","1617","1623","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016959","15.809","","15.809","","7.089","","90","","90","","120","","1534.35","","","","","","","","","","","","Nova Ves near Cesky Krumlov, southern Bohemia, Moldanubian Zone, Czech Republic","8","R 3 m :H","R 3 -2""","160","","","Darrellhenryite","- Al7.953 B3 F0.34 H3 Li1.047 Na0.561 O30.66 Si6 -","- Al23.859 B9 F1.02 H9 Li3.141 Na1.683 O91.98 Si18 -","- Al23.859 B9 F1.02 H9 Li3.141 Na1.683 O91.98 Si18 -","","","","Novak, M.; Ertl, A.; Povondra, P.; Galiova, M. V.; Rossman, G. R.; Pristacz, H.; Prem, M.; Giester, G.; Gadas, P.; Skoda, R.","Darrellhenryite, Na(LiAl2)Al6(BO3)3Si6O18(OH)3O, a new mineral from the tourmaline supergroup","American Mineralogist","2013","98","","1886","1892","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:50",""
"9016960","10.341","","10.96","","11.1446","","86.985","","65.727","","75.064","","1110.49","","","","","","","","","","","","Chimanta massif, Venezuela","5","P -1","-P 1","2","","","Rossiantonite","- Al3 H30 O28 P S2 -","- Al3 H30 O28 P S2 -","- Al6 H60 O56 P2 S4 -","2","1","","Galli, E.; Brigatti, M. F.; Malferrari, D.; Sauro, F.; de Waele, J.","Rossiantonite, Al3(PO4)(SO4)2(OH)2(H2O)10*4H2O, a new hydrated aluminum phosphate-sulfate mineral from Chimanta massif, Venezuela: Description and crystal structure","American Mineralogist","2013","98","","1906","1913","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016961","5.3647","","5.3647","","5.3647","","90","","90","","90","","154.396","","","","","","","","","","","","Jabel Harmun, Palestinian Autonomy, Israel","3","F m -3 m","-F 4 2 3","225","","","Vorlanite","- Ca0.5 O2 U0.5 -","- Ca2 O8 U2 -","- Ca2 O8 U2 -","","","","Galuskin, E. V.; Kusz, J.; Armbruster, T.; Galuskina, I. O.; Marzec, K.; Vapnik, Y.; Murashko, M.","Vorlanite, (CaU6+)O4, from Jabel Harmun, Palestinian Autonomy, Israel","American Mineralogist","2013","98","","1938","1942","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:52:54",""
"9016962","7.2913","","7.2913","","17.1744","","90","","90","","120","","790.719","","","","297","","","","","","","","Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain","6","R -3 m :H","-R 3 2""","166","","","Jarosite","- Al0.21 Fe2.79 H6 K O14 S2 -","- Al0.63 Fe8.37 H18 K3 O42 S6 -","- Al0.63 Fe8.37 H18 K3 O42 S6 -","","","","Mills, S. J.; Nestola, F.; Kahlenberg, V.; Christy, A. G.; Hejny, C.; Redhammer, G. J.","Looking for jarosite on Mars: The low-temperature crystal structure of jarosite Note: T = 297 K","American Mineralogist","2013","98","","1966","1971","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:53:04",""
"9016963","7.2931","","7.2931","","17.1456","","90","","90","","120","","789.783","","","","253","","","","","","","","Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain","6","R -3 m :H","-R 3 2""","166","","","Jarosite","- Al0.21 Fe2.79 H6 K O14 S2 -","- Al0.63 Fe8.37 H18 K3 O42 S6 -","- Al0.63 Fe8.37 H18 K3 O42 S6 -","","","","Mills, S. J.; Nestola, F.; Kahlenberg, V.; Christy, A. G.; Hejny, C.; Redhammer, G. J.","Looking for jarosite on Mars: The low-temperature crystal structure of jarosite Note: T = 253 K","American Mineralogist","2013","98","","1966","1971","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:53:07",""
"9016964","7.2918","","7.2918","","17.1235","","90","","90","","120","","788.484","","","","213","","","","","","","","Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain","6","R -3 m :H","-R 3 2""","166","","","Jarosite","- Al0.21 Fe2.79 H6 K O14 S2 -","- Al0.63 Fe8.37 H18 K3 O42 S6 -","- Al0.63 Fe8.37 H18 K3 O42 S6 -","","","","Mills, S. J.; Nestola, F.; Kahlenberg, V.; Christy, A. G.; Hejny, C.; Redhammer, G. J.","Looking for jarosite on Mars: The low-temperature crystal structure of jarosite Note: T = 213 K","American Mineralogist","2013","98","","1966","1971","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:53:07",""
"9016965","7.2918","","7.2918","","17.1026","","90","","90","","120","","787.521","","","","173","","","","","","","","Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain","6","R -3 m :H","-R 3 2""","166","","","Jarosite","- Al0.21 Fe2.79 H6 K O14 S2 -","- Al0.63 Fe8.37 H18 K3 O42 S6 -","- Al0.63 Fe8.37 H18 K3 O42 S6 -","","","","Mills, S. J.; Nestola, F.; Kahlenberg, V.; Christy, A. G.; Hejny, C.; Redhammer, G. J.","Looking for jarosite on Mars: The low-temperature crystal structure of jarosite Note: T = 173 K","American Mineralogist","2013","98","","1966","1971","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:53:07",""
"9016966","7.2907","","7.2907","","17.09","","90","","90","","120","","786.704","","","","133","","","","","","","","Jaroso Ravine, Sierra Almagrera, Andalusia, Almeria, Spain","6","R -3 m :H","-R 3 2""","166","","","Jarosite","- Al0.21 Fe2.79 H6 K O14 S2 -","- Al0.63 Fe8.37 H18 K3 O42 S6 -","- Al0.63 Fe8.37 H18 K3 O42 S6 -","","","","Mills, S. J.; Nestola, F.; Kahlenberg, V.; Christy, A. G.; Hejny, C.; Redhammer, G. J.","Looking for jarosite on Mars: The low-temperature crystal structure of jarosite Note: T = 133 K","American Mineralogist","2013","98","","1966","1971","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:53:07",""
"9016967","10.0214","","10.5997","","9.8327","","90","","92.363","","90","","1043.58","","","","298.15","","","","","","","","Rio Pian del Foco, Genova province, Italy","5","P 1 21/c 1","-P 2ybc","14","","","Gismondine","- Al2 Ca H9 O12.5 Si2 -","- Al2 Ca H9 O12.5 Si2 -","- Al8 Ca4 H36 O50 Si8 -","4","1","","Wadoski-Romeijn E; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 25 C, Phase A, Path 1","American Mineralogist","2013","98","","1988","1997","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016968","13.6801","","10.467","","13.8667","","90","","90","","90","","1985.57","","","","348.15","","","","","","","","Rio Pian del Foco, Genova province, Italy","5","P 21 21 21","P 2ac 2ab","19","","","Gismondine","- Al2 Ca H6 O11 Si2 -","- Al2 Ca H6 O11 Si2 -","- Al16 Ca8 H48 O88 Si16 -","8","2","","Wadoski-Romeijn E; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 75 C, Phase B, Path 1","American Mineralogist","2013","98","","1988","1997","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016969","13.9014","","8.9469","","13.9697","","90","","90","","90","","1737.47","","","","423.15","","","","","","","","Rio Pian del Foco, Genova province, Italy","5","P 21 21 21","P 2ac 2ab","19","","","Gismondine","- Al4 Ca1.941 H8 O20 Si4 -","- Al4 Ca1.941 H8 O20 Si4 -","- Al16 Ca7.764 H32 O80 Si16 -","4","1","","Wadoski-Romeijn E; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 150 C, Phase C, Path 1","American Mineralogist","2013","98","","1988","1997","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016970","9.79","","10.437","","9.79","","90","","90.97","","90","","1000.18","","","","348.15","","","","","","","","Rio Pian del Foco, Genova province, Italy","5","I 1 2/a 1","-I 2ya","15","","","Gismondine","- Al Ca0.44 H4.09 O6.045 Si -","- Al Ca0.44 H4.09 O6.045 Si -","- Al8 Ca3.52 H32.72 O48.36 Si8 -","8","1","","Wadoski-Romeijn E; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 75 C, Path 2","American Mineralogist","2013","98","","1988","1997","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016971","9.434","","9.044","","9.695","","90","","89.04","","90","","827.072","","","","498.15","","","","","","","","Rio Pian del Foco, Genova province, Italy","5","I 1 2/a 1","-I 2ya","15","","","Gismondine","- Al2 Ca0.946 H2 O9 Si2 -","- Al2 Ca0.946 H2 O9 Si2 -","- Al8 Ca3.784 H8 O36 Si8 -","4","0.5","","Wadoski-Romeijn E; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 225 C, Path 2","American Mineralogist","2013","98","","1988","1997","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9016972","8.152","","12.917","","7.126","","93.26","","116.37","","88.72","","671.192","","","","623.15","","","","","","","","Rio Pian del Foco, Genova province, Italy","4","C -1","-C 1","2","","","Anorthite","- Al Ca0.5 O4 Si -","- Al Ca0.5 O4 Si -","- Al8 Ca4 O32 Si8 -","8","","","Wadoski-Romeijn E; Armbruster, T.","Topotactic transformation and dehydration of the zeolite gismondine to a novel Ca feldspar structure Note: T = 350 C, Path 2, synthesised from gismondine","American Mineralogist","2013","98","","1988","1997","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9016973","13.23574","","13.23574","","15.06516","","90","","90","","120","","2285.6","","","","","","","","","","","","Durkee, Oregon, USA","7","P 63/m m c","-P 6c 2c","194","","","Erionite-Na","- Al3.735 H31.134 K Mg0.222 Na2.484 O51.567 Si14.265 -","- Al3.73506 H31.134 K Mg0.222 Na2.484 O51.567 Si14.2649 -","- Al7.47012 H62.268 K2 Mg0.444 Na4.968 O103.134 Si28.5299 -","2","0.0833333","","Cametti, G.; Pacella, A.; Mura, F.; Rossi, M.; Ballirano, P.","New morphological, chemical, and structural data of woolly erionite-Na from Durkee, Oregon, U.S.A.","American Mineralogist","2013","98","","2155","2163","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:13",""
"9017156","5.1969","","9.0138","","20.0835","","90","","95.763","","90","","936.033","","","","","","","","","","","","pegmatite in Northern Victoria Land, Antarctica","10","C 1 2/c 1","-C 2yc","15","","","Muscovite","- Al2.842 F0.054 Fe0.07 H1.946 K0.865 Mg0.036 Na0.135 O11.946 Si3.044 Ti0.006 -","- Al2.842 F0.054 Fe0.07 H1.946 K0.865 Mg0.036 Na0.135 O11.946 Si3.044 Ti0.006 -","- Al11.368 F0.216 Fe0.28 H7.784 K3.46 Mg0.144 Na0.54 O47.784 Si12.176 Ti0.024 -","4","0.5","","Elmi, C.; Brigatti, M. F.; Guggenheim, S.; Pasquali, L.; Montecchi, M.; Malferrari, D.; Nannarone, S.","Sodian muscovite-2M1: crystal chemistry and surface features","The Canadian Mineralogist","2013","51","","5","14","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017157","10.0099","","21.8472","","11.1504","","90","","116.584","","90","","2180.67","","","","","","","","","","","","Little Eva mine, Grand County, Utah, USA","5","P 1 21/n 1","-P 2yn","14","","","Nashite","- Ca H24 Na1.496 O26 V5 -","- Ca H24 Na1.496 O26 V5 -","- Ca4 H96 Na5.984 O104 V20 -","4","1","","Kampf, A. R.; Hughes, J. M.; Marty, J.; Brown, F. H.","Nashite, Na3Ca2[(V4+V5+9)O28]*24H2O, a new mineral species from the Yellow Cat Mining District, Utah and the Slick Rock Mining District, Colorado: crystal structure and descriptive mineralogy","The Canadian Mineralogist","2013","51","","27","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017158","18.261","","18.261","","11.562","","90","","90","","90","","3855.51","","","","","","","","","","","","La Fossa Crater, Vulcano, Aeolian Islands, Italy","9","I 41/a c d :2","-I 4bd 2c","142","","","Adranosite-(Fe)","- Al0.18 Cl Fe1.82 H17.568 K0.108 N3.892 Na O18 S4 -","- Al1.44 Cl8 Fe14.56 H140.544 K0.864 N31.136 Na8 O144 S32 -","- Al1.44 Cl8 Fe14.56 H140.544 K0.864 N31.136 Na8 O144 S32 -","","","","Mitolo, D.; Demartin, F.; Garavelli, A.; Campostrini, I.; Pinto, D.; Gramaccioli, C. M.; Acquafredda, P.; Kolitsch, U.","Adranosite-(Fe), (NH4)4NaFe2(SO4)4Cl(OH)2, a new ammonium sulfate chloride from La Fossa Crater, Vulcano, Aeolian Islands, Italy","The Canadian Mineralogist","2013","51","","57","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:26",""
"9017159","5.396","","7.071","","10.226","","99.73","","99.55","","90.09","","379.056","","","","","","","","","","","","Eifel volcanic region, Germany","15","P -1","-P 1","2","","","Schullerite","- Al0.005 Ba0.785 Ca0.215 F Fe0.63 K0.07 Mg0.395 Mn0.15 Na0.715 Nb0.045 O8 Si2 Sr0.07 Ti0.835 Zr0.01 -","- Al0.005 Ba0.785 Ca0.215 F Fe0.63 K0.07 Mg0.395 Mn0.15 Na0.715 Nb0.045 O8 Si2 Sr0.07 Ti0.835 Zr0.01 -","- Al0.01 Ba1.57 Ca0.43 F2 Fe1.26 K0.14 Mg0.79 Mn0.3 Na1.43 Nb0.09 O16 Si4 Sr0.14 Ti1.67 Zr0.02 -","2","1","","Sokolova, E.; Hawthorne, F. C.; Abdu, Y. A.","From structure topology to chemical composition. XV. Titanium silicates: revision of the crystal structure and chemical formula of schullerite, Na2Ba2Mg2Ti2(Si2O7)2O2F2, from the Eifel volcanic region, Germany","The Canadian Mineralogist","2013","51","","715","772","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017160","10.3926","","10.3926","","37.1694","","90","","90","","120","","3476.68","","","","","","","","","","","","the Tanco Mine, Bernic Lake, Manitoba, Canada","9","R 3 c :H","R 3 -2""c","161","","","Wopmayite","- Al0.08 Ca7.53 Fe0.25 H1.45 Mg0.11 Mn0.56 Na1.67 O28 P7 -","- Al0.08 Ca7.53 Fe0.25 H1.45 Mg0.11 Mn0.56 Na1.67 O28 P7 -","- Al0.48 Ca45.18 Fe1.5 H8.7 Mg0.66 Mn3.36 Na10.02 O168 P42 -","6","0.333333","","Cooper, M. A.; Hawthorne, F. C.; Abdu, Y. A.; Ball, N. A.; Ramik, R. A.; Tait, K. T.","Wopmayite, ideally Ca6Na3[]Mn(PO4)3(PO3OH)4, a new phosphate mineral from the Tanco Mine, Bernic Lake, Manitoba: description and crystal structure","The Canadian Mineralogist","2013","51","","93","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017161","6.644","","6.749","","14.892","","79.664","","80.113","","63.487","","584.648","","","","","","","","","","","","Rico, Colorado, USA","9","P -1","-P 1","2","","","Wilcoxite","- Al F1.02 Fe0.04 H33.96 Mg0.81 Mn0.07 O24.98 S2 Zn0.04 -","- Al F1.02 Fe0.04 H33.96 Mg0.81 Mn0.07 O24.98 S2 Zn0.04 -","- Al F1.02 Fe0.04 H33.96 Mg0.81 Mn0.07 O24.98 S2 Zn0.04 -","1","0.5","","Peterson, R. C.; Joy, B. R.","Wilcoxite MgAl(SO4)2F*17H2O, from Rico, Colorado: occurrence and crystal structure","The Canadian Mineralogist","2013","51","","107","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9017162","6.535","","24.185","","6.589","","92.626","","119.132","","97.298","","895.288","","","","","","","","","","","","New Brunswick, Canada","6","P 1","P 1","1","","","Volkovskite","- B22 Ca4 Cl H18 K O46 -","- B22 Ca4 Cl H18 K O46 -","- B22 Ca4 Cl H18 K O46 -","","","","Poulin, R. S.; Grice, J. D.","Volkovskite, a complex borate mineral: refined crystallographic data and optics","The Canadian Mineralogist","2013","51","","157","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:26",""
"9017163","9.044","","9.044","","16.706","","90","","90","","120","","1183.38","","","","","","","","","","","","Synthetic","6","P 3 1 c","P 3 -2c","159","","","Gengenbachite","- Al0.338 Fe2.662 H20.001 K O30 P6 -","- Al0.338 Fe2.662 H18 K O30 P6 -","- Al0.676 Fe5.324 H36 K2 O60 P12 -","2","0.333333","","Hu, Z. B.; Wang, C. X.; Tong, C. Q.; Huang, Y. X.; Pan, Y.; Mi, J. X.","Crystal structure and magnetic property of synthetic gengenbachite, KH8(Fe2.66Al0.34)(PO4)6*6H2O","The Canadian Mineralogist","2013","51","","223","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:52",""
"9017164","12.8052","","7.9249","","10.2173","","90","","104.433","","90","","1004.13","","","","","","","","","","","","Tsumeb mine, Namibia","4","P 1 21/c 1","-P 2ybc","14","","","Legrandite","- As H3 O6 Zn2 -","- As8 H24 O48 Zn16 -","- As8 H24 O48 Zn16 -","","","","Hawthorne, F. C.; Abdu, Y. A.; Tait, K. T.","Hydrogen bonding in the crystal structure of legrandite: Zn2(AsO4)(OH)(H2O)","The Canadian Mineralogist","2013","51","","233","241","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:27",""
"9017165","14.1686","","17.8583","","5.2919","","90","","105.878","","90","","1287.91","","","","","","","","","","","","Poudrette Quarry, Mont St. Hilaire, Quebec, Canada","10","C 1 2/m 1","-C 2y","12","","","Yofortierite","- Al0.01 Ca0.18 Fe0.22 H17.22 Mg1.02 Mn3.1 O29.28 Si8 Ti0.02 Zn0.11 -","- Al0.01 Ca0.18 Fe0.22 H17.22 Mg1.02 Mn3.1 O29.28 Si8 Ti0.02 Zn0.11 -","- Al0.02 Ca0.36 Fe0.44 H34.44 Mg2.04 Mn6.2 O58.56 Si16 Ti0.04 Zn0.22 -","2","0.25","","Hawthorne, F. C.; Abdu, Y. A.; Tait, K. T.; Back, M. E.","The crystal structure of yofortierite","The Canadian Mineralogist","2013","51","","243","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017166","8.7499","","4.916","","31.431","","90","","90.1574","","90","","1351.98","","","","","","","","","","","","Larvik Plutonic Complex, Oslo Region, Southern Norway","6","P 1 21/c 1","-P 2ybc","14","","","Ferrochiavennite","- Be2.264 Ca1.161 Fe0.917 H6 O17 Si4.736 -","- Be2.264 Ca1.161 Fe0.917 H6 O17 Si4.736 -","- Be9.056 Ca4.644 Fe3.668 H24 O68 Si18.944 -","4","1","","Grice, J. D.; Kristiansen, R.; Friis, H.; Rowe, R.; Poirier, G. G.; Selbekk, R. S.; Cooper, M. A.; Larsen, A. O.","Ferrochiavennite, a new beryllium silicate zeolite from syenite pegmatites in the Larvik Plutonic Complex, Oslo Region, Southern Norway","The Canadian Mineralogist","2013","51","","285","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017167","9.7212","","10.2598","","10.5928","","89.999","","77.083","","69.887","","963.551","","","","","","","","","","","","St. Jude mine, San Miguel County, Colorado, U.S.A.","7","P -1","-P 1","2","","","Wernerbaurite","- Ca0.94 H19 K0.01 Na0.04 O23 Sr0.01 V5 -","- Ca0.94 H19 K0.01 Na0.04 O23 Sr0.01 V5 -","- Ca1.88 H38 K0.02 Na0.08 O46 Sr0.02 V10 -","2","1","","Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B.","Wernerbaurite, {[Ca(H2O)7]2(H2O)2(H3O)2}{V10O28}, and schindlerite, {[Na2(H2O)10](H3O)4}{V10O28}, the first hydronium-bearing decavanadate minerals","The Canadian Mineralogist","2013","51","","297","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017168","8.5143","","10.4283","","11.2827","","68.595","","87.253","","67.112","","854.077","","","","","","","","","","","","St. Jude mine, San Miguel County, Colorado, U.S.A.","7","P -1","-P 1","2","","","Schindlerite","- Ca0.02 H16 K0.18 Na0.79 O21 Sr0.01 V5 -","- Ca0.02 H16 K0.18 Na0.79 O21 Sr0.01 V5 -","- Ca0.04 H32 K0.36 Na1.58 O42 Sr0.02 V10 -","2","1","","Kampf, A. R.; Hughes, J. M.; Marty, J.; Nash, B.","Wernerbaurite, {[Ca(H2O)7]2(H2O)2(H3O)2}{V10O28}, and schindlerite, {[Na2(H2O)10](H3O)4}{V10O28}, the first hydronium-bearing decavanadate minerals","The Canadian Mineralogist","2013","51","","297","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017169","8.15","","8.716","","21.579","","85.18","","96.94","","88.6","","1515.33","","","","","","","","","","","","Monte Arsiccio mine, Apuan Alps, Tuscany, Italy","5","P -1","-P 1","2","","","Protochabourneite","- As0.9 Pb1.6 S17 Sb8.8 Tl1.7 -","- As1.8 Pb3.2 S34 Sb17.6 Tl3.4 -","- As1.8 Pb3.2 S34 Sb17.6 Tl3.4 -","","","","Orlandi, P.; Biagioni, C.; Moelo, Y.; Bonaccorsi, E.; Paar, W. H.","Lead-antimony sulfosalts from Tuscany (Italy). XIII. Protochabourneite, ~Tl2Pb(Sb9-8As1-2)S10S17, from the Monte Arsiccio mine: occurrence, crystal structure, and relationship with chabourneite","The Canadian Mineralogist","2013","51","","475","494","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:27",""
"9017170","11.9246","","16.134","","7.4573","","90","","125.815","","90","","1163.43","","","","","","","","","","","","La Vendida copper mine, Antofagasta region, Chile","6","C 1 2/c 1","-C 2yc","15","","","Vendidaite","- Al1.96 Cl Fe0.04 H15 O13 S -","- Al1.96 Cl Fe0.04 H15 O13 S -","- Al7.84 Cl4 Fe0.16 H60 O52 S4 -","4","0.5","","Chukanov, N. V.; Krivovichev, S. V.; Chernyatieva, A. P.","Vendidaite, Al2(SO4)(OH)3Cl*6H2O, a new mineral from La Vendida copper mine, Antofagasta region, Chile","The Canadian Mineralogist","2013","51","","559","568","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9017171","11.167","","11.164","","11.162","","90","","90","","90","","1391.55","","","","","","","","","","","","Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada","7","P 2 2 2","P 2 2","16","","","Peatite-(Y)","- C F2 Li Na3 O15 P3 Y3 -","- C4 F8 Li4 Na12 O60 P12 Y12 -","- C4 F8 Li4 Na12 O60 P12 Y12 -","","","","McDonald, A. M.; Back, M. E.; Gault, R. A.; Horvath, L.","Peatite-(Y) and ramikite-(Y), two new Na-Li-Y±Zr phosphate-carbonate minerals from the Poudrette pegmatite, Mont Saint-Hilaire, Quebec","The Canadian Mineralogist","2013","51","","569","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:27",""
"9017172","10.9977","","10.9985","","10.9966","","90.074","","89.984","","89.969","","1330.13","","","","","","","","","","","","Poudrette quarry, Mont Saint-Hilaire, Quebec, Canada","8","P 1","P 1","1","","","Ramikite-(Y)","- C2 H2 Li2 Na6 O34 P6 Y3 Zr3 -","- C2 H2 Li2 Na6 O34 P6 Y3 Zr3 -","- C4 H4 Li4 Na12 O68 P12 Y6 Zr6 -","2","2","","McDonald, A. M.; Back, M. E.; Gault, R. A.; Horvath, L.","Peatite-(Y) and ramikite-(Y), two new Na-Li-Y±Zr phosphate-carbonate minerals from the Poudrette pegmatite, Mont Saint-Hilaire, Quebec","The Canadian Mineralogist","2013","51","","569","596","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017173","8.8052","","11.4793","","6.1388","","90","","99.192","","90","","612.527","","","","","","","","","","","","Lollington beryl mine, Karoi, Hurungwe, Zimbabwe","7","P 1 21/c 1","-P 2ybc","14","","","Graftonite","- Ca0.26 Fe1.4 Mg0.02 Mn1.31 O8 P2 Zn0.01 -","- Ca1.04 Fe5.6 Mg0.08 Mn5.24 O32 P8 Zn0.04 -","- Ca1.04 Fe5.6 Mg0.08 Mn5.24 O32 P8 Zn0.04 -","","","","Tait, K. T.; Hawthorne, F. C.; Wise, M. A.","The crystal chemistry of the graftonite-beusite minerals Notes: Sample B1","The Canadian Mineralogist","2013","51","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:27",""
"9017174","8.79","","11.5382","","6.1654","","90","","99.199","","90","","617.258","","","","","","","","","","","","Rice mine, North Groton, New Hampshire, USA","7","P 1 21/c 1","-P 2ybc","14","","","Beusite","- Ca0.36 Fe0.67 Mg0.21 Mn1.75 O8 P2 Zn0.01 -","- Ca1.44 Fe2.68 Mg0.84 Mn7 O32 P8 Zn0.04 -","- Ca1.44 Fe2.68 Mg0.84 Mn7 O32 P8 Zn0.04 -","","","","Tait, K. T.; Hawthorne, F. C.; Wise, M. A.","The crystal chemistry of the graftonite-beusite minerals Notes: Sample B2","The Canadian Mineralogist","2013","51","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:27",""
"9017175","8.7919","","11.5414","","6.1669","","90","","99.192","","90","","617.725","","","","","","","","","","","","Los Aleros, San Luis, Argentina","7","P 1 21/c 1","-P 2ybc","14","","","Beusite","- Ca0.36 Fe0.67 Mg0.21 Mn1.75 O8 P2 Zn0.01 -","- Ca1.44 Fe2.68 Mg0.84 Mn7 O32 P8 Zn0.04 -","- Ca1.44 Fe2.68 Mg0.84 Mn7 O32 P8 Zn0.04 -","","","","Tait, K. T.; Hawthorne, F. C.; Wise, M. A.","The crystal chemistry of the graftonite-beusite minerals Notes: Sample B3","The Canadian Mineralogist","2013","51","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:27",""
"9017176","8.775","","11.437","","6.133","","90","","99.192","","90","","607.602","","","","","","","","","","","","Turkestan Range, Kyrgyzstan","7","P 1 21/c 1","-P 2ybc","14","","","Beusite","- Ca0.2 Fe1.22 Mg0.24 Mn1.33 O8 P2 Zn0.01 -","- Ca0.8 Fe4.88 Mg0.96 Mn5.32 O32 P8 Zn0.04 -","- Ca0.8 Fe4.88 Mg0.96 Mn5.32 O32 P8 Zn0.04 -","","","","Tait, K. T.; Hawthorne, F. C.; Wise, M. A.","The crystal chemistry of the graftonite-beusite minerals Notes: Sample B4","The Canadian Mineralogist","2013","51","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:27",""
"9017177","8.7994","","11.5702","","6.1365","","90","","99.192","","90","","616.739","","","","","","","","","","","","Palermo mine, Grafton Co., New Hampshire, USA","7","P 1 21/c 1","-P 2ybc","14","","","Graftonite","- Ca0.58 Fe1.65 Mg0.15 Mn0.61 O8 P2 Zn0.01 -","- Ca2.32 Fe6.6 Mg0.6 Mn2.44 O32 P8 Zn0.04 -","- Ca2.32 Fe6.6 Mg0.6 Mn2.44 O32 P8 Zn0.04 -","","","","Tait, K. T.; Hawthorne, F. C.; Wise, M. A.","The crystal chemistry of the graftonite-beusite minerals Notes: Sample B5","The Canadian Mineralogist","2013","51","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:27",""
"9017178","8.788","","11.583","","6.141","","90","","99.3","","90","","616.885","","","","","","","","","","","","Mwami district, Hurungwe, Zimbabwe","7","P 1 21/c 1","-P 2ybc","14","","","Graftonite","- Ca0.57 Fe1.59 Mg0.02 Mn0.81 O8 P2 Zn0.01 -","- Ca2.28 Fe6.36 Mg0.08 Mn3.24 O32 P8 Zn0.04 -","- Ca2.28 Fe6.36 Mg0.08 Mn3.24 O32 P8 Zn0.04 -","","","","Tait, K. T.; Hawthorne, F. C.; Wise, M. A.","The crystal chemistry of the graftonite-beusite minerals Notes: Sample B6","The Canadian Mineralogist","2013","51","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:27",""
"9017179","8.8072","","11.5131","","6.1372","","90","","99.243","","90","","614.221","","","","","","","","","","","","East Alstead, New Hampshire, USA","6","P 1 21/c 1","-P 2ybc","14","","","Graftonite","- Ca0.37 Fe1.51 Mg0.11 Mn1.01 O8 P2 -","- Ca1.48 Fe6.04 Mg0.44 Mn4.04 O32 P8 -","- Ca1.48 Fe6.04 Mg0.44 Mn4.04 O32 P8 -","","","","Tait, K. T.; Hawthorne, F. C.; Wise, M. A.","The crystal chemistry of the graftonite-beusite minerals Notes: Sample B7 Note: O7 y-coordinate edited by author","The Canadian Mineralogist","2013","51","","653","662","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:27",""
"9017180","11.8514","","11.8514","","11.8514","","90","","90","","90","","1664.6","","","","","","","","","","","","Jeffrey mine, Asbestos, Canada","8","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al1.953 Ca2.922 Fe0.1 Mg0.003 Mn0.048 O12 Si2.955 Ti0.02 -","- Al15.624 Ca23.376 Fe0.8 Mg0.024 Mn0.384 O96 Si23.64 Ti0.16 -","- Al15.624 Ca23.376 Fe0.8 Mg0.024 Mn0.384 O96 Si23.64 Ti0.16 -","","","","Antao, S. M.","Is near-endmember birefringent grossular non-cubic? New evidence from synchrotron diffraction Note: sample 1, Quebec-b phase-1","The Canadian Mineralogist","2013","51","","771","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:27",""
"9017181","11.8436","","11.8436","","11.8436","","90","","90","","90","","1661.31","","","","","","","","","","","","Jeffrey mine, Asbestos, Canada","8","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al1.953 Ca2.922 Fe0.1 Mg0.003 Mn0.048 O12 Si2.955 Ti0.02 -","- Al15.624 Ca23.376 Fe0.8 Mg0.024 Mn0.384 O96 Si23.64 Ti0.16 -","- Al15.624 Ca23.376 Fe0.8 Mg0.024 Mn0.384 O96 Si23.64 Ti0.16 -","","","","Antao, S. M.","Is near-endmember birefringent grossular non-cubic? New evidence from synchrotron diffraction Note: sample 1, Quebec-b phase-2","The Canadian Mineralogist","2013","51","","771","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:27",""
"9017182","11.87707","","11.87707","","11.87707","","90","","90","","90","","1675.44","","","","","","","","","","","","Jeffrey mine, Asbestos, Canada","9","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al1.709 Ca2.994 Cr0.216 Fe0.046 Mg0.003 Mn0.036 O12 Si2.943 Ti0.054 -","- Al13.672 Ca23.952 Cr1.728 Fe0.368 Mg0.024 Mn0.288 O96 Si23.544 Ti0.432 -","- Al13.672 Ca23.952 Cr1.728 Fe0.368 Mg0.024 Mn0.288 O96 Si23.544 Ti0.432 -","","","","Antao, S. M.","Is near-endmember birefringent grossular non-cubic? New evidence from synchrotron diffraction Note: sample 2, Quebec-g phase-1","The Canadian Mineralogist","2013","51","","771","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:27",""
"9017183","11.86193","","11.86193","","11.86193","","90","","90","","90","","1669.04","","","","","","","","","","","","Jeffrey mine, Asbestos, Canada","9","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al1.709 Ca2.994 Cr0.216 Fe0.046 Mg0.003 Mn0.036 O12 Si2.943 Ti0.054 -","- Al13.672 Ca23.952 Cr1.728 Fe0.368 Mg0.024 Mn0.288 O96 Si23.544 Ti0.432 -","- Al13.672 Ca23.952 Cr1.728 Fe0.368 Mg0.024 Mn0.288 O96 Si23.544 Ti0.432 -","","","","Antao, S. M.","Is near-endmember birefringent grossular non-cubic? New evidence from synchrotron diffraction Note: sample 2, Quebec-g phase-2","The Canadian Mineralogist","2013","51","","771","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:28",""
"9017184","11.94161","","11.94161","","11.94161","","90","","90","","90","","1702.9","","","","","","","","","","","","Tanzania","8","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al1.1 Ca2.955 Fe0.864 Mg0.048 Mn0.023 O12 Si2.94 Ti0.07 -","- Al8.8 Ca23.64 Fe6.912 Mg0.384 Mn0.184 O96 Si23.52 Ti0.56 -","- Al8.8 Ca23.64 Fe6.912 Mg0.384 Mn0.184 O96 Si23.52 Ti0.56 -","","","","Antao, S. M.","Is near-endmember birefringent grossular non-cubic? New evidence from synchrotron diffraction Note: sample 3, Tanzania phase-1","The Canadian Mineralogist","2013","51","","771","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:28",""
"9017185","11.95012","","11.95012","","11.95012","","90","","90","","90","","1706.54","","","","","","","","","","","","Tanzania","8","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al1.1 Ca2.955 Fe0.864 Mg0.048 Mn0.023 O12 Si2.94 Ti0.07 -","- Al8.8 Ca23.64 Fe6.912 Mg0.384 Mn0.184 O96 Si23.52 Ti0.56 -","- Al8.8 Ca23.64 Fe6.912 Mg0.384 Mn0.184 O96 Si23.52 Ti0.56 -","","","","Antao, S. M.","Is near-endmember birefringent grossular non-cubic? New evidence from synchrotron diffraction Note: sample 3, Tanzania phase-2","The Canadian Mineralogist","2013","51","","771","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:28",""
"9017186","11.85584","","11.85584","","11.85584","","90","","90","","90","","1666.47","","","","","","","","","","","","Laghman, Afghanistan","8","I a -3 d","-I 4bd 2c 3","230","","","Grossular","- Al1.877 Ca2.964 Fe0.116 Mg0.012 Mn0.012 O12 Si2.973 Ti0.008 -","- Al15.016 Ca23.712 Fe0.928 Mg0.096 Mn0.096 O96 Si23.784 Ti0.064 -","- Al15.016 Ca23.712 Fe0.928 Mg0.096 Mn0.096 O96 Si23.784 Ti0.064 -","","","","Antao, S. M.","Is near-endmember birefringent grossular non-cubic? New evidence from synchrotron diffraction Note: sample 4, Afghanistan single-phase","The Canadian Mineralogist","2013","51","","771","784","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:28",""
"9017187","9.103","","9.86","","9.111","","90.27","","109.53","","107.58","","729.618","","","","","","","","","","","","Lengenbach Quarry, Binn Valley, Switzerland","3","P 1","P 1","1","","","Sinnerite","- As4 Cu6 S9 -","- As8 Cu12 S18 -","- As8 Cu12 S18 -","","","","Bindi, L.; Makovicky, E.; Nestola, F.; Battisti, L. D.","Sinnerite, Cu6As4S9, from the Lengenbach Quarry, Binn Valley, Switzerland: Description and re-investigation of the crystal structure","The Canadian Mineralogist","2013","51","","851","860","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:28",""
"9017188","5.387","","7.091","","15.473","","96.58","","93.948","","89.818","","585.763","","","","","","","","","","","","Khibiny alkaline massif, Kola Peninsula, Russia","15","P -1","-P 1","2","","","Kolskyite","- Ba0.095 Ca0.35 F0.165 Fe0.05 H6.8 K0.075 Mg0.085 Mn0.185 Na0.965 Nb0.23 O12.335 Si2 Sr0.225 Ti1.465 Zr0.005 -","- Ba0.095 Ca0.35 F0.165 Fe0.05 H6.8 K0.075 Mg0.085 Mn0.185 Na0.965 Nb0.23 O12.335 Si2 Sr0.225 Ti1.465 Zr0.005 -","- Ba0.19 Ca0.7 F0.33 Fe0.1 H13.6 K0.15 Mg0.17 Mn0.37 Na1.93 Nb0.46 O24.67 Si4 Sr0.45 Ti2.93 Zr0.01 -","2","1","","Camara, F.; Sokolova, E.; Abdu, Y.; Hawthorne, F. C.; Khomyakov, A. P.","Kolskyite, (Ca[_])Na2Ti4(Si2O7)2O4(H2O)7, a group-IV Ti-disilicate mineral from the Khibiny alkaline massif, Kola Peninsula, Russia: Description and crystal structure","The Canadian Mineralogist","2013","51","","921","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017211","5.42","","11.064","","5.5383","","90","","90","","90","","332.115","","","","","","","","","","","","Hatrurim Basin, Israel","5","P m m a","-P 2a 2a","51","","","Shulamitite","- Al0.824 Ca3 Fe1.176 O8 Ti -","- Al1.648 Ca6 Fe2.352 O16 Ti2 -","- Al1.648 Ca6 Fe2.352 O16 Ti2 -","","","","Sharygin, V. V.; Lazic, B.; Armbruster, T. M.; Murashko, M. N.; Wirth, R.; Galuskina, I. O.; Galuskin, E. V.; Vapnik, Y.; Britvin, S. N.; Logvinova, A. M.","Shulamitite Ca3TiFe3+AlO8 - a new perovskite-related mineral from Hatrurim Basin, Israel","European Journal of Mineralogy","2013","25","","97","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:48",""
"9017212","5.5173","","27.26","","6.815","","90","","106.73","","90","","981.601","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","","- Ba O24 Si7 Yb6 -","- Ba2 O48 Si14 Yb12 -","- Ba2 O48 Si14 Yb12 -","","","","Wierzbicka-Wieczorek M; Kolitsch, U.","BaYb6(Si2O7)2(Si3O10) - the first silicate containing both Si2O7 and Si3O10 groups: synthesis, crystal chemistry and topology","European Journal of Mineralogy","2013","25","","509","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:49",""
"9017213","8.5497","","13.0216","","7.1843","","90","","115.988","","90","","718.959","","","","","","","","","","","","Unknown","6","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al Cs0.02 K0.83 Na0.15 O8 Si3 -","- Al Cs0.02 K0.83 Na0.15 O8 Si3 -","- Al4 Cs0.08 K3.32 Na0.6 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample H002","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017214","8.5739","","12.9874","","7.2018","","90","","116.042","","90","","720.521","","","","","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.93 Na0.07 O8 Si3 -","- Al K0.93 Na0.07 O8 Si3 -","- Al4 K3.72 Na0.28 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample H003","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017215","8.5739","","12.9874","","7.2018","","90","","116.042","","90","","720.521","","","","","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.92 Na0.08 O8 Si3 -","- Al K0.92 Na0.08 O8 Si3 -","- Al4 K3.68 Na0.32 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Gemini RT Data, Sample H003","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017216","8.575","","12.984","","7.2008","","90","","116.028","","90","","720.41","","","","293","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.92 Na0.08 O8 Si3 -","- Al K0.92 Na0.08 O8 Si3 -","- Al4 K3.68 Na0.32 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 293 K, Sample H003_RTend","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017217","8.5752","","12.986","","7.2013","","90","","116.023","","90","","720.619","","","","293","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.92 Na0.08 O8 Si3 -","- Al K0.92 Na0.08 O8 Si3 -","- Al4 K3.68 Na0.32 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 293 K, Sample H003_RT","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017218","8.6159","","12.9806","","7.1991","","90","","115.956","","90","","723.93","","","","600","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.92 Na0.08 O8 Si3 -","- Al K0.92 Na0.08 O8 Si3 -","- Al4 K3.68 Na0.32 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 600 K, Sample H003","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017219","8.6609","","12.977","","7.2003","","90","","115.876","","90","","728.124","","","","900","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.92 Na0.08 O8 Si3 -","- Al K0.92 Na0.08 O8 Si3 -","- Al4 K3.68 Na0.32 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 900 K, Sample H003","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017220","8.6849","","12.9747","","7.203","","90","","115.819","","90","","730.638","","","","1075","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.92 Na0.08 O8 Si3 -","- Al K0.92 Na0.08 O8 Si3 -","- Al4 K3.68 Na0.32 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 1075 K, Sample H003","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017221","8.3463","","12.9877","","7.1683","","90","","116.18","","90","","697.324","","","","","","","","","","","","Synthetic","6","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al1.04 Ba0.02 K0.4 Na0.58 O8 Si2.96 -","- Al1.04 Ba0.02 K0.4 Na0.58 O8 Si2.96 -","- Al4.16 Ba0.08 K1.6 Na2.32 O32 Si11.84 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample San40, cation-exchanged sanidine","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017222","8.6032","","13.0237","","7.1885","","90","","115.994","","90","","723.961","","","","","","","","","","","","Synthetic","5","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al Ba0.02 K0.98 O8 Si3 -","- Al Ba0.02 K0.98 O8 Si3 -","- Al4 Ba0.08 K3.92 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample San100","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017223","7.0618","","38.42","","6.5734","","90","","90","","90","","1783.46","","","","","","","","","","","","Pian di Celle volcano, Umbria, Italy","10","P m m n :2","-P 2ab 2a","59","","","Umbrianite","- Al3.1 Ca2.5 Cl1.9 F2.1 Fe0.3 K6.5 Mg0.1 Na1.6 O29 Si9.6 -","- Al6.2 Ca5 Cl3.8 F4.2 Fe0.6 K13 Mg0.2 Na3.2 O58 Si19.2 -","- Al6.2 Ca5 Cl3.8 F4.2 Fe0.6 K13 Mg0.2 Na3.2 O58 Si19.2 -","","","","Sharygin, V. V.; Pekov, I. V.; Zubkova, N. V.; Khomyakov, A. P.; Stoppa, F.; Pushcharovsky, D. Y.","Umbrianite, K7Na2Ca2[Al3Si10O29]F2Cl2, a new mineral species from melilitolite of the Pian di Celle volcano, Umbria, Italy","European Journal of Mineralogy","2013","25","","655","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:49",""
"9017224","12.64","","13.007","","6.7","","90","","113.828","","90","","1007.64","","","","","","","","","","","","Tolbachik fumaroles, Kamchatka peninsula, Russia","10","C 1 2/c 1","-C 2yc","15","","","Hatertite","- Al0.38 As3 Ca0.73 Cu0.4 Fe0.9 K0.3 Mn0.13 Na1.69 O12 Zn0.32 -","- Al0.38 As3 Ca0.73 Cu0.4 Fe0.9 K0.3 Mn0.13 Na1.69 O12 Zn0.32 -","- Al1.52 As12 Ca2.92 Cu1.6 Fe3.6 K1.2 Mn0.52 Na6.76 O48 Zn1.28 -","4","0.5","","Krivovichev, S. V.; Vergasova, L. P.; Filatov, S. K.; rybin D S; Britvin, S. N.; Ananiev, V. V.","Hatertite, Na2(Ca,Na)(Fe3+,Cu)2(AsO4)3, a new alluaudite-group mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia","European Journal of Mineralogy","2013","25","","683","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017225","3.0113","","14.259","","14.932","","90","","90","","90","","641.152","","","","","","","","","","","","Majuba Hill, Nevada, USA","4","P m n 21","P 2ac -2","31","","","Parnauite","- As Cu5 H8 O15 -","- As Cu5 H8 O15 -","- As2 Cu10 H16 O30 -","2","0.5","","Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G.","The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods","European Journal of Mineralogy","2013","25","","693","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017226","3.0088","","14.212","","14.89","","90","","90","","90","","636.712","","","","","","","","","","","","Cap Garonne, Var, France","4","P m n 21","P 2ac -2","31","","","Parnauite","- As0.5 Cu2.5 H2.15 O6.575 -","- As0.5 Cu2.5 H2.15 O6.575 -","- As2 Cu10 H8.6 O26.3 -","4","1","","Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G.","The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods","European Journal of Mineralogy","2013","25","","693","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017227","6.02","","13.99","","15.42","","90","","90","","90.01","","1298.67","","","","","","","","","","","","","4","P 1 1 21","P 2c","4","","","Parnauite","- As Cu4.5 O15.25 S0.5 -","- As Cu4.5 O15.25 S0.5 -","- As4 Cu18 O61 S2 -","4","2","","Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G.","The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods Note: theoretical data","European Journal of Mineralogy","2013","25","","693","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017228","7.2958","","7.2958","","15.396","","90","","90","","90","","819.509","","","","","","","","4130000","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Gillespite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","- Ba2 Cu4 O40 Si16 Sr2 -","","","","Knight, K. S.; Marshall, W. G.; Henderson, C. M. B.; Chamberlain, A. A.","Equation of state and a high-pressure structural phase transition in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Note: P = 4.13 GPa","European Journal of Mineralogy","2013","25","","909","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:49",""
"9017229","7.2623","","7.2623","","15.252","","90","","90","","90","","804.406","","","","","","","","4770000","","","","Synthetic","5","P 4 21 2 (a-1/4,b+1/4,c)","P 4ab 2ab (x+1/4,y-1/4,z)","90","","","Gillespite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba Cu4 O40 Si16 Sr -","- Ba Cu4 O40 Si16 Sr -","","","","Knight, K. S.; Marshall, W. G.; Henderson, C. M. B.; Chamberlain, A. A.","Equation of state and a high-pressure structural phase transition in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Note: P = 4.77 GPa","European Journal of Mineralogy","2013","25","","909","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:49",""
"9017230","4.1192","","17.4167","","19.1664","","96.127","","90.015","","91.229","","1366.88","","","","","","","","","","","","Ceragiola marble quarry, Apuan Alps, Tuscany, Italy","3","P -1","-P 1","2","","","Disulfodadsonite","- Pb5.38 S15.5 Sb6.62 -","- Pb10.76 S31 Sb13.24 -","- Pb10.76 S31 Sb13.24 -","","","","Orlandi, P.; Biagioni, C.; Moelo, Y.; Bonaccorsi, E.","Lead-antimony sulfosalts from Tuscany (Italy). XIV. Disulfodadsonite, Pb11Sb13S30(S2)0.5, a new mineral from the Ceragiola marble quarry, Apuan Alps: occurrence and crystal structure","European Journal of Mineralogy","2013","25","","1005","1016","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:49",""
"9017349","16.9093","","9.7287","","20.9019","","90","","112.396","","90","","3179.12","","","","","","","","","","","","Iwagi Island, Inland Sea, Ehime Prefecture, Japan","12","C 1 2/c 1","-C 2yc","15","","","Katayamalite","- Ca7 F0.4 Fe0.04 H1.4 K0.89 Li3 Na0.12 O37.4 Si12 Sn0.02 Ti1.8 Zr0.14 -","- Ca28 F1.6 Fe0.16 H5.6 K3.56 Li12 Na0.48 O149.6 Si48 Sn0.08 Ti7.2 Zr0.56 -","- Ca28 F1.6 Fe0.16 H5.6 K3.56 Li12 Na0.48 O149.6 Si48 Sn0.08 Ti7.2 Zr0.56 -","","","","Andrade, M. B.; Doell, D.; Downs, R. T.; Yang, H.","Redetermination of katayamalite, KLi3Ca7Ti2(SiO3)12(OH)2","Acta Crystallographica, Section E","2013","69","","i41","i41","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:56",""
"9017350","13.5059","","13.5059","","5.8903","","90","","90","","120","","930.497","","","","","","","","","","","","Jote West mine, Pampa Larga Mining District, Copiapo, Chile","11","P 63/m","-P 6c","176","","","Agardite-(Y)","- As2.484 Ca0.43 Cu6 Dy0.01 Er0.02 H12.002 Ho0.01 O21.001 P0.516 Y0.52 Yb0.01 -","- As2.484 Ca0.43 Cu6 Dy0.01 Er0.02 H12.002 Ho0.01 O21.001 P0.516 Y0.52 Yb0.01 -","- As4.968 Ca0.86 Cu12 Dy0.02 Er0.04 H24.004 Ho0.02 O42.002 P1.032 Y1.04 Yb0.02 -","2","0.166667","","Morrison, S. M.; Domanik, K. J.; Origlieri, M. J.; Downs, R. T.","Agardite-(Y), Cu2+6Y(AsO4)3(OH)6*3H2O","Acta Crystallographica, Section E","2013","69","","i61","i62","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017383","2.95","","2.95","","4.686","","90","","90","","120","","35.316","","","","","","","","","","","","Harzburgite formation, Luobusha ophiolite, Indus-Yarlong suture zone, China","1","P 63/m m c","-P 6c 2c","194","","","Titanium","- Ti -","- Ti2 -","- Ti2 -","","","","Fang, Q.; Bai, W.; Yang, J.; Rong, H.; Shi, N.; Li, G.; Xiong, M.; Ma, Z.","Titanium, Ti, a new mineral species from Luobusha, Tibet, China","Acta Geologica Sinica","2013","87","","1275","1280","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58",""
"9017388","13.682","","13.682","","13.916","","90","","90","","120","","2256.03","","","","","","","","","","","","Carr Boyd Rocks mine, Western Australia","6","R -3 :H","-R 3","148","","","Paratacamite-(Ni)","- Cl2 Co0.02 Cu3.27 H6 Ni0.71 O6 -","- Cl24 Co0.24 Cu39.24 H72 Ni8.52 O72 -","- Cl24 Co0.24 Cu39.24 H72 Ni8.52 O72 -","","","","Sciberras, M. J.; Leverett, P.; Williams, P. A.; Hibbs, D. E.; Downes, P. J.; Welch, M. D.; Kampf, A. R.","Paratacamite-(Ni), Cu3(Ni,Cu)Cl2(OH)6, a new mineral from the Carr Boyd Rocks mine, Western Australia","Australian Journal of Mineralogy","2013","17","","39","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:58",""
"9017412","12.353","","7.102","","25.733","","90.46","","99.78","","90.24","","2224.67","","","","","","","","","","","","theoretical","3","C 1","C 1","1","","","Vaterite","- C Ca O3 -","- C36 Ca36 O108 -","- C36 Ca36 O108 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:28",""
"9017413","12.358","","7.106","","25.741","","90.43","","99.88","","90.29","","2226.84","","","","","","","","","","","","theoretical","3","C 1","C 1","1","","","Vaterite","- C Ca O3 -","- C36 Ca36 O108 -","- C36 Ca36 O108 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:40",""
"9017414","12.245","","7.197","","9.305","","90","","115.16","","90","","742.224","","","","","","","","","","","","theoretical","3","C 1 2 1","C 2y","5","","","Vaterite","- C Ca O3 -","- C12 Ca12 O36 -","- C12 Ca12 O36 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:44",""
"9017415","12.281","","7.142","","9.371","","90","","115.48","","90","","741.993","","","","","","","","","","","","theoretical","3","C 1 c 1","C -2yc","9","","","Vaterite","- C Ca O3 -","- C12 Ca12 O36 -","- C12 Ca12 O36 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:47",""
"9017462","10.2523","","10.2523","","10.2523","","90","","90","","90","","1077.62","","","","","","","","","","","","Eifel volcanic region, Germany","14","F d -3 m :2","-F 4vw 2vw 3","227","","","Hydroxymanganopyrochlore","- Ca0.29 Ce0.18 F0.11 Fe0.19 H0.65 La0.09 Mn0.51 Na0.35 Nb0.97 Nd0.02 O6.89 Th0.37 Ti0.85 U0.04 -","- Ca0.29 Ce0.18 F0.11 Fe0.19 La0.09 Mn0.51 Na0.35 Nb0.97 Nd0.02 O6.89 Th0.37 Ti0.85 U0.04 -","- Ca2.32 Ce1.44 F0.88 Fe1.52 La0.72 Mn4.08 Na2.8 Nb7.76 Nd0.16 O55.12 Th2.96 Ti6.8 U0.32 -","8","0.0416667","","Chukanov, N. V.; Blass, G.; Zubkova, N. V.; Pekov, I. V.; Pushcharovskii, D. Y.; Prinz, H.","Hydroxymanganopyrochlore: A new mineral from the Eifel volcanic region, Germany","Doklady Earth Sciences","2013","449","","342","345","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017471","8.708","","8.708","","5.075","","90","","90","","90","","384.834","","","","","","","","","","","","Synthetic","1","P 42/n n m :1","P 4n 2 -1n","134","","","Boron","- B25 -","- B50 -","- B50 -","","","","Parakhonskiy, G.; Dubrovinskaia, N.; Bykova, E.; Wirth, R.; Dubrovinsky, L.","High pressure synthesis and investigation of single crystals of metastable boron phases Note: alpha-tetragonal phase","High Pressure Research","2013","33","","673","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:00",""
"9017472","5.594","","5.594","","12.0756","","90","","90","","120","","327.253","","","","","","","","","","","","Synthetic","1","R -3 m :H","-R 3 2""","166","","","Boron","- B5 -","- B45 -","- B45 -","","","","Parakhonskiy, G.; Dubrovinskaia, N.; Bykova, E.; Wirth, R.; Dubrovinsky, L.","High pressure synthesis and investigation of single crystals of metastable boron phases Note: epsilon-trigonal phase","High Pressure Research","2013","33","","673","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:00",""
"9017552","16.218","","42.546","","8.58","","95.7","","90.18","","96.38","","5853.94","","","","","","","","","","","","Lengenbach quarry, Binntal, Canton Valais, Switzerland","5","P 1","P 1","1","","","Dalnegroite","- As24 Pb4.01 S68 Sb15.99 Tl8 -","- As48 Pb8.02 S136 Sb31.98 Tl16 -","- As48 Pb8.02 S136 Sb31.98 Tl16 -","","","","Bindi, L.; Nestola, F.; Guastoni, A.; Secco, L.","The crystal structure of dalnegroite, Tl5-xPb2x(As,Sb)21-xS34: a masterpiece of structural complexity","Mineralogical Magazine","2013","74","","999","1012","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:03:44",""
"9017585","4.2478","","6.9432","","8.0042","","90","","100.103","","90","","232.41","","","","","","","","","","","","San Carlos mine, Guanajuato, Mexico","4","P 1 21/n 1","-P 2yn","14","","","Aguilarite","- Ag2 S0.42 Se0.49 Te0.09 -","- Ag8 S1.68 Se1.96 Te0.36 -","- Ag8 S1.68 Se1.96 Te0.36 -","","","","Bindi, L.; Pingitore, N. E.","On the symmetry and crystal structure of aguilarite, Ag4SeS","Mineralogical Magazine","2013","77","","21","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:08:17",""
"9017586","8.4787","","4.5624","","10.033","","90","","93.174","","90","","387.513","","","","","","","","","","","","Sludyanka complex, South Baikal, Russia","5","P 1 21/c 1","-P 2ybc","14","","","Kyzylkumite","- Cr0.06 H O6 Ti2 V0.94 -","- Cr0.06 H O6 Ti2 V0.94 -","- Cr0.24 H4 O24 Ti8 V3.76 -","4","1","","Armbruster, T.; Lazic, B.; Reznitsky, L. Z.; Sklyarov, E. V.","Kyzylkumite, Ti2V3+O5(OH): new structure type, modularity and revised formula","Mineralogical Magazine","2013","77","","33","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017587","7.537","","4.5795","","9.885","","90","","131.02","","90","","257.419","","","","","","","","","","","","Konigshain, northeast Germany","4","P 1 21/c 1","-P 2ybc","14","","","Kleberite","- Fe0.26 H1.25 O4 Ti1.47 -","- Fe0.26 H1.25 O4 Ti1.47 -","- Fe1.04 H5 O16 Ti5.88 -","4","1","","Grey, I. E.; Steinike, K.; MacRae, C. M.","Kleberite, Fe3+Ti6O11(OH)5, a new ilmenite alteration product, from Konigshain, northeast Germany","Mineralogical Magazine","2013","77","","45","55","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017588","7.298","","7.298","","19.582","","90","","90","","120","","903.224","","","","","","","","","","","","Clara mine, Germany","6","P 63/m m c","-P 6c 2c","194","","","Phyllotungstite-Pb","- Cs0.215 Fe1.47 H6.129 O23 Pb1.122 W5.53 -","- Cs0.215 Fe1.47 H6.129 O23 Pb1.122 W5.53 -","- Cs0.43 Fe2.94 H12.258 O46 Pb2.244 W11.06 -","2","0.0833333","","Grey, I. E.; Mumme, W. G.; MacRae, C. M.","Lead-bearing phyllotungstite from the Clara mine, Germany with an ordered pyrochlore-hexagonal tungsten bronze intergrowth structure","Mineralogical Magazine","2013","77","","57","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9017589","7.298","","12.64","","19.582","","90","","90","","90","","1806.38","","","","","","","","","","","","Clara mine, Germany","6","C m c m","-C 2c 2","63","","","Phyllotungstite-Pb","- Cs0.214 Fe1.72 H6.129 O23 Pb1.146 W5.28 -","- Cs0.214 Fe1.72 H6.129 O23 Pb1.146 W5.28 -","- Cs0.856 Fe6.88 H24.516 O92 Pb4.584 W21.12 -","4","0.25","","Grey, I. E.; Mumme, W. G.; MacRae, C. M.","Lead-bearing phyllotungstite from the Clara mine, Germany with an ordered pyrochlore-hexagonal tungsten bronze intergrowth structure","Mineralogical Magazine","2013","77","","57","67","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017590","14.3554","","14.3554","","6.0065","","90","","90","","90","","1237.81","","","","","","","","","","","","Esquire No. 8 claim, Big Creek, Fresno County, California, USA","7","I 4/m m m","-I 4 2","139","","","Cerchiaraite-(Fe)","- Al1.616 Ba4 Cl2.68 Fe2.384 H8.16 O25.12 Si6.04 -","- Al1.616 Ba4 Cl2.68 Fe2.384 H8.16 O25.12 Si6.04 -","- Al3.232 Ba8 Cl5.36 Fe4.768 H16.32 O50.24 Si12.08 -","2","0.0625","","Kampf, A. R.; Roberts, A. C.; Venance, K. E.; Carbone, C.; Belmonte, D.; Dunning, G. E.; Walstrom, R. E.","Cerchiaraite-(Fe) and cerchiaraite-(Al), two new barium cyclosilicate chlorides from Italy and California, USA","Mineralogical Magazine","2013","77","","69","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017591","13.969","","14.243","","5.893","","90","","90","","90","","1172.47","","","","","","","","","","","","Tiger mine, Arizona, USA","8","P n n m","-P 2 2n","58","","","Bobmeyerite","- Al3.28 Cl Cu0.72 H14 O25 Pb4 S0.5 Si4.5 -","- Al3.28 Cl Cu0.72 H14 O25 Pb4 S0.5 Si4.5 -","- Al6.56 Cl2 Cu1.44 H28 O50 Pb8 S Si9 -","2","0.25","","Kampf, A. R.; Pluth, J. J.; Chen, Y. S.; Roberts, A. C.; Housley, R. M.","Bobmeyerite, a new mineral from Tiger, Arizona, USA, structurally related to cerchiaraite and ashburtonite","Mineralogical Magazine","2013","77","","81","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017592","3.5485","","6.352","","19.254","","90","","92.393","","90","","433.608","","","","","","","","","","","","Fuka, Okayama Prefecture, Japan","3","P 1 21/c 1","-P 2ybc","14","","","Shimazakiite","- B2 Ca2 O5 -","- B8 Ca8 O20 -","- B8 Ca8 O20 -","","","","Kusachi, I.; Kobayashi, S.; Takechi, Y.; Nakamuta, Y.; Nagase, T.; Yokoyama, K.; Momma, K.; Miyawaki, R.; Shigeoka, M.; Matsubara, S.","Shimazakiite-4M and shimazakiite-4O, Ca2B2O5, two polytypes of a new mineral from Fuka, Okayama Prefecture, Japan Note: polytype Shimazakiite-4M","Mineralogical Magazine","2013","77","","93","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:09:08",""
"9017593","3.55645","","6.35194","","19.2534","","90","","90","","90","","434.941","","","","","","","","","","","","Fuka, Okayama Prefecture, Japan","3","P 21 21 21","P 2ac 2ab","19","","","Shimazakiite","- B2 Ca2 O5 -","- B8 Ca8 O20 -","- B8 Ca8 O20 -","","","","Kusachi, I.; Kobayashi, S.; Takechi, Y.; Nakamuta, Y.; Nagase, T.; Yokoyama, K.; Momma, K.; Miyawaki, R.; Shigeoka, M.; Matsubara, S.","Shimazakiite-4M and shimazakiite-4O, Ca2B2O5, two polytypes of a new mineral from Fuka, Okayama Prefecture, Japan Note: polytype Shimazakiite-4O","Mineralogical Magazine","2013","77","","93","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:09:17",""
"9017594","6.4344","","8.3232","","9.1726","","105.338","","96.113","","107.642","","442.05","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","4","P -1","-P 1","2","","","Yaroshevskite","- Cl2 Cu9 O18 V4 -","- Cl2 Cu9 O18 V4 -","- Cl2 Cu9 O18 V4 -","","","","Pekov, I. V.; Zubkova, N. V.; Zelenski, M. E.; Yapaskurt, V. O.; Polekhovsky, Y. S.; Fadeeva, O. A.; Pushcharovsky, D. Y.","Yaroshevskite, Cu9O2(VO4)4Cl2, a new mineral from the Tolbachik volcano, Kamchatka, Russia","Mineralogical Magazine","2013","77","","107","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:09:33",""
"9017595","10.9867","","10.9867","","32.9271","","90","","90","","90","","3974.55","","","","","","","","","","","","Jachymov, Czech Republic","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","","Stepite","- As2 H10 O12 U -","- As2 H10 O12 U -","- As32 H160 O192 U16 -","16","0.5","","Plasil, J.; Fejfarova, K.; Hlousek, J.; Skoda, R.; Novak, M.; Sejkora, J.; Cejka, J.; Dusek, M.; Veselovsky, F.; Ondrus, P.; Majzlan, J.; Mrazek, Z.","Stepite, U(AsO3OH)2*4H2O, from Jachymov, Czech Republic: the first natural arsenate of tetravalent uranium","Mineralogical Magazine","2013","77","","137","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017596","27.714","","2.9881","","11.3564","","90","","90","","90","","940.449","","","","","","","","","","","","Orapa area, Botswana","6","P n m a","-P 2ac 2n","62","","","Kudryavtsevaite","- Ca0.138 Fe1.68 Mg0.764 Na2.862 O12 Ti3.556 -","- Ca0.552 Fe6.72 Mg3.056 Na11.448 O48 Ti14.224 -","- Ca0.552 Fe6.72 Mg3.056 Na11.448 O48 Ti14.224 -","","","","Anashkin, S.; Bovkun, A.; Bindi, L.; Garanin, V.; Litvin, Y.","Kudryavtsevaite, Na3MgFe3+Ti4O12, a new kimberlitic mineral","Mineralogical Magazine","2013","77","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:10:18",""
"9017597","11.137","","8.279","","5.5381","","90","","100.423","","90","","502.205","","","","","","","","","","","","Blue Lizard mine, San Juan County, Utah, USA","8","P 1 21/a 1","-P 2yab","14","","","Manganoblodite","- Co0.14 H8 Mg0.29 Mn0.44 Na2 Ni0.06 O12 S2 -","- Co0.28 H16 Mg0.58 Mn0.88 Na4 Ni0.12 O24 S4 -","- Co0.28 H16 Mg0.58 Mn0.88 Na4 Ni0.12 O24 S4 -","","","","Kasatkin, A. V.; Nestola, F.; Plasil, J.; Marty, J.; Belakovskiy, D. I.; Agakhanov, A. A.; Mills, S. J.; Pedron, D.; Lanza, A.; Favaro, M.; Bianchin, S.; Lykova, I. S.; Golias, V.; Birch, W. D.","Manganoblodite, Na2Mn(SO4)2*4H2O, and cobaltoblodite, Na2Co(SO4)2*4H2O: two new members of the blodite group from the Blue Lizard mine, San Juan County, Utah, USA","Mineralogical Magazine","2013","77","","367","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:10:40",""
"9017598","11.147","","8.268","","5.5396","","90","","100.517","","90","","501.972","","","","","","","","","","","","Blue Lizard mine, San Juan County, Utah, USA","8","P 1 21/a 1","-P 2yab","14","","","Cobaltoblodite","- Co0.36 H8 Mg0.3 Mn0.17 Na2 Ni0.12 O12 S2 -","- Co0.72 H16 Mg0.6 Mn0.34 Na4 Ni0.24 O24 S4 -","- Co0.72 H16 Mg0.6 Mn0.34 Na4 Ni0.24 O24 S4 -","","","","Kasatkin, A. V.; Nestola, F.; Plasil, J.; Marty, J.; Belakovskiy, D. I.; Agakhanov, A. A.; Mills, S. J.; Pedron, D.; Lanza, A.; Favaro, M.; Bianchin, S.; Lykova, I. S.; Golias, V.; Birch, W. D.","Manganoblodite, Na2Mn(SO4)2*4H2O, and cobaltoblodite, Na2Co(SO4)2*4H2O: two new members of the blodite group from the Blue Lizard mine, San Juan County, Utah, USA","Mineralogical Magazine","2013","77","","367","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:11:05",""
"9017599","7.6122","","7.6122","","12.0954","","90","","90","","120","","606.976","","","","","","","","","","","","Cycladic Blueschist Unit, Kallianou deposit, Evia Island, Greece","6","P -3 m 1","-P 3 2""","164","","","Polybasite","- Ag14.46 As0.42 Cu1.54 S9.67 Sb1.58 Te1.33 -","- Ag14.46 As0.42 Cu1.54 S9.67 Sb1.58 Te1.33 -","- Ag14.46 As0.42 Cu1.54 S9.67 Sb1.58 Te1.33 -","","","","Bindi, L.; Voudouris, P.; Spry, P. G.","Structural role of tellurium in the minerals of the pearceite-polybasite group","Mineralogical Magazine","2013","77","","419","428","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:11:30",""
"9017600","15.0324","","15.0324","","8.8776","","90","","90","","120","","1737.33","","","","","","","","","","","","La Fossa crater, Vulcano, Aeolian Islands, Italy","5","R -3 :H","-R 3","148","","","Aluminopyracmonite","- Al H12 N3 O12 S3 -","- Al6 H72 N18 O72 S18 -","- Al6 H72 N18 O72 S18 -","","","","Demartin, F.; Castellano, C.; Campostrini, I.","Aluminopyracmonite, (NH4)3Al(SO4)3, a new ammonium aluminium sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy Note: z coordinate of Al2 has been changed from 1/6","Mineralogical Magazine","2013","77","","443","451","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:12:02",""
"9017601","8.3124","","8.3124","","21.546","","90","","90","","120","","1289.29","","","","","","","","","","","","Gambatesa mine, Val Graveglia, Liguria, Italy","2","P 3 m 1","P 3 -2""","156","","","Weissite","- Cu42.51 Te17 -","- Cu42.51 Te17 -","- Cu42.51 Te17 -","","","","Bindi, L.; Carbone, C.; Belmonte, D.; Cabella, R.; Bracco, R.","Weissite from Gambatesa mine, Val Graveglia, Liguria, Italy: occurrence, composition and determination of the crystal structure","Mineralogical Magazine","2013","77","","475","483","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:12:31",""
"9017602","17.234","","9.8457","","9.3463","","90","","90","","90","","1585.89","","","","","","","","","","","","Dolni Bory, Czech Republic","9","C c c m","-C 2 2c","66","","","Sekaninaite","- C0.03 H1.24 Al4 Fe1.746 Li0.18 Mg0.07 Na0.203 O18.68 Si5 -","- C0.03 H1.24 Al4 Fe1.746 Li0.18 Mg0.07 Na0.203 O18.68 Si5 -","- C0.12 H4.96 Al16 Fe6.984 Li0.72 Mg0.28 Na0.812 O74.72 Si20 -","4","0.25","","Radica, F.; Capitelli, F.; Bellatreccia, F.; Della Ventura, G.; Cavallo, A.; Piccinini, M.; Hawthorne, F. C.","Spectroscopy and X-ray structure refinement of sekaninaite from Dolni Bory (Czech Republic)","Mineralogical Magazine","2013","77","","485","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017603","5.378","","8.962","","9.841","","75.26","","83.56","","79.97","","450.545","","","","","","","","","","","","Dome Rock mine, South Australia","7","P -1","-P 1","2","","","Domerockite","- As0.98 Cu1.98 H2.955 O6 P0.01 Si0.01 Zn0.02 -","- As0.98 Cu1.98 H2.955 O6 P0.01 Si0.01 Zn0.02 -","- As3.92 Cu7.92 H11.82 O24 P0.04 Si0.04 Zn0.08 -","4","2","","Elliott, P.; Kolitsch, U.; Willis, A. C.; Libowitzky, E.","Description and crystal structure of domerockite, Cu4(AsO4)(AsO3OH)(OH)3*H2O a new mineral from the Dome Rock mine, South Australia","Mineralogical Magazine","2013","77","","509","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017604","8.5606","","7.6926","","5.7206","","92.605","","109.9","","109.902","","327.479","","","","","","","","","","","","Jachymov, Czech Republic","4","P -1","-P 1","2","","","Svenekite","- As2 Ca H4 O8 -","- As4 Ca2 H8 O16 -","- As4 Ca2 H8 O16 -","","","","Ondrus, P.; Skala, R.; Plasil, J.; Sejkora, J.; Veselovsky, F.; Cejka, J.; Kallistova, A.; Hlousek, J.; Fejfarova, K.; Skoda, R.; Dusek, M.; Gabasova, A.; Machovic, V.; Lapcak, L.","Svenekite, Ca[AsO2(OH)2]2. a new mineral from Jachymov, Czech Republic","Mineralogical Magazine","2013","77","","2711","2724","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:13:24",""
"9017605","8.8985","","5.765","","10.1185","","90","","114.12","","90","","473.758","","","","","","","","","","","","Ise, Mie Prefecture, Japan","14","P 1 21/m 1","-P 2yb","11","","","Vanadoallanite-(La)","- Al0.92 Ca0.76 Ce0.14 Fe1.01 H La0.46 Mg0.06 Mn0.69 Nd0.18 O13 Pr0.07 Si3 Ti0.08 V0.63 -","- Al1.84 Ca1.52 Ce0.28 Fe2.02 H2 La0.92 Mg0.12 Mn1.38 Nd0.36 O26 Pr0.14 Si6 Ti0.16 V1.26 -","- Al1.84 Ca1.52 Ce0.28 Fe2.02 H2 La0.92 Mg0.12 Mn1.38 Nd0.36 O26 Pr0.14 Si6 Ti0.16 V1.26 -","","","","Nagashima, M.; Nishio-Hamane D; Tomita, N.; Minakawa, T.; Inaba, S.","Vanadoallanite-(La): a new epidote-supergroup mineral from Ise, Mie Prefecture, Japan Case 1","Mineralogical Magazine","2013","77","","2739","2752","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:13:52",""
"9017606","8.8985","","5.765","","10.1185","","90","","114.12","","90","","473.758","","","","","","","","","","","","Ise, Mie Prefecture, Japan","14","P 1 21/m 1","-P 2yb","11","","","Vanadoallanite-(La)","- Al0.92 Ca0.76 Ce0.14 Fe1.01 H La0.46 Mg0.06 Mn0.69 Nd0.18 O13 Pr0.07 Si3 Ti0.08 V0.63 -","- Al1.84 Ca1.52 Ce0.28 Fe2.02 H2 La0.92 Mg0.12 Mn1.38 Nd0.36 O26 Pr0.14 Si6 Ti0.16 V1.26 -","- Al1.84 Ca1.52 Ce0.28 Fe2.02 H2 La0.92 Mg0.12 Mn1.38 Nd0.36 O26 Pr0.14 Si6 Ti0.16 V1.26 -","","","","Nagashima, M.; Nishio-Hamane D; Tomita, N.; Minakawa, T.; Inaba, S.","Vanadoallanite-(La): a new epidote-supergroup mineral from Ise, Mie Prefecture, Japan Case 2","Mineralogical Magazine","2013","77","","2739","2752","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:14:09",""
"9017607","9.8837","","18.0662","","5.3107","","90","","105.278","","90","","914.77","","","","","","","","","","","","the Deeti volcanic cone, Gregory rift, northern Tanzania","11","C 1 2/m 1","-C 2y","12","","","Oxo-magnesio-hastingsite","- Al1.92 Ca1.84 Fe1.35 H0.6 K0.33 Mg3.09 Mn0.01 Na0.82 O24 Si6.2 Ti0.44 -","- Al1.92 Ca1.84 Fe1.35 H0.6 K0.33 Mg3.09 Mn0.01 Na0.82 O24 Si6.2 Ti0.44 -","- Al3.84 Ca3.68 Fe2.7 H1.2 K0.66 Mg6.18 Mn0.02 Na1.64 O48 Si12.4 Ti0.88 -","2","0.25","","Zaitsev, A. N.; Avdontseva, E. Y.; Britvin, S. N.; Demeny, A.; Homonnay, Z.; Jeffries, T. E.; Keller, J.; Krivovichev, V. G.; Markl, G.; Platonova, N. V.; Siidra, O. I.; Spratt, J.; Vennemann, T.","Oxo-magnesio-hastingsite, NaCa2(Mg2Fe3+3)(Al2Si6)O22O2, a new anhydrous amphibole from the Deeti volcanic cone, Gregory rift, northern Tanzania","Mineralogical Magazine","2013","77","","2773","2792","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017608","6.053","","10.2329","","12.9112","","87.572","","78.48","","78.697","","768.403","","","","","","","","","","","","Jote mine, Tierra Amarilla, Copiapo Province, Atacama, Chile","6","P -1","-P 1","2","","","Joteite","- Al As3 Ca2 Cu H14 O19 -","- Al As3 Ca2 Cu H14 O19 -","- Al2 As6 Ca4 Cu2 H28 O38 -","2","1","","Kampf, A. R.; Mills, S. J.; Housley, R. M.; Rossman, G. R.; Nash, B. P.; Dini, M.; Jenkins, R. A.","Joteite, Ca2CuAl[AsO4][AsO3(OH)]2(OH)2*5H2O, a new arsenate with a sheet structure and unconnected acid arsenate groups","Mineralogical Magazine","2013","77","","2811","2823","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017609","13.43259","","13.43259","","22.67725","","90","","90","","120","","3543.57","","","","","","","","","","","","Dunseverick, Antrim, Northern Ireland, UK","8","R -3 m :H","-R 3 2""","166","","","Levyne-Na","- Al5.88 Ca1.52 H33.456 K0.44 Na1.708 O52.728 Si12.12 Sr0.04 -","- Al5.88 Ca1.52 H33.456 K0.44 Na1.708 O52.728 Si12.12 Sr0.04 -","- Al17.64 Ca4.56 H100.368 K1.32 Na5.124 O158.184 Si36.36 Sr0.12 -","3","0.0833333","","Ballirano, P.; Cametti, G.","Crystal chemical and structural investigation of levyne-Na","Mineralogical Magazine","2013","77","","2887","2899","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017610","10.228","","8.929","","17.098","","90","","95.8","","90","","1553.49","","","","","","","","","","","","Bisbee, Arizona, USA","5","P 1 21/n 1","-P 2yn","14","","","Chalcoalumite","- Al4 Cu H18.966 O19.483 S -","- Al4 Cu H18.966 O19.483 S -","- Al16 Cu4 H75.864 O77.932 S4 -","4","1","","Hawthorne, F. C.; Cooper, M. A.","The crystal structure of chalcoalumite: mechanisms of Jahn-Teller-driven distortion in [6]Cu2±containing oxysalts","Mineralogical Magazine","2013","77","","2901","2912","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017611","10.3783","","10.3783","","10.3783","","90","","90","","90","","1117.84","","","","","","","","","","","","Harstigen mine, Varmland, Sweden","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Oxyplumboromeite","- Ca0.87 Fe0.27 Mn0.09 Na0.05 O7 Pb0.92 Sb1.73 Sr0.01 -","- Ca6.96 Fe2.16 Mn0.72 Na0.4 O56 Pb7.36 Sb13.84 Sr0.08 -","- Ca6.96 Fe2.16 Mn0.72 Na0.4 O56 Pb7.36 Sb13.84 Sr0.08 -","","","","Halenius, U.; Bosi, F.","Oxyplumboromeite, Pb2Sb2O7, a new mineral species of the pyrochlore supergroup from Harstigen mine, Varmland, Sweden","Mineralogical Magazine","2013","77","","2931","2939","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:15:38",""
"9017612","8.085","","8.085","","8.085","","90","","90","","90","","528.494","","","","","","","","","","","","Jemaa, Kaduna State, Nigeria","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Gahnite","- Al1.99 Fe0.07 O4 Zn0.94 -","- Al15.92 Fe0.56 O32 Zn7.52 -","- Al15.92 Fe0.56 O32 Zn7.52 -","","","","D'Ippolito V; Andreozzi, G. B.; Bosi, F.; Halenius, U.; Mantovani, L.; Bersani, D.; Fregola, R. A.","Crystallographic and spectroscopic characterization of a natural Zn-rich spinel approaching the endmember gahnite (ZnAl2O4) composition","Mineralogical Magazine","2013","77","","2941","2953","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:15:44",""
"9017613","5.3761","","27.506","","18.697","","140.301","","93.032","","95.664","","1720.94","","","","","","","","","","","","Seal Lake, Newfoundland, Canada","15","P -1","-P 1","2","","","Veblenite","- Ba0.28 Ca0.87 F0.38 Fe9.62 H16.06 K0.53 Mg0.07 Mn5.97 Na0.72 Nb3.734 O76.84 Si20 Sr0.03 Ti0.93 Zn0.15 -","- Ba0.28 Ca0.87 F0.38 Fe9.62 H16.06 K0.53 Mg0.07 Mn5.97 Na0.72 Nb3.734 O76.84 Si20 Sr0.03 Ti0.93 Zn0.15 -","- Ba0.28 Ca0.87 F0.38 Fe9.62 H16.06 K0.53 Mg0.07 Mn5.97 Na0.72 Nb3.734 O76.84 Si20 Sr0.03 Ti0.93 Zn0.15 -","1","0.5","","Camara, F.; Sokolova, E.; Hawthorne, F. C.; Rowe, R.; Grice, J. D.; Tait, K. T.","Veblenite, K2[_]2Na(Fe2+5Fe3+4Mn2+7[_])Nb3Ti(Si2O7)2(Si8O22)2O6(OH)10(H2O)3, a new mineral from Seal Lake, Newfoundland and Labrador: mineral description, crystal structure, and a new veblenite Si8O22 ribbon","Mineralogical Magazine","2013","77","","2955","2974","","","","","","","","","","","","","","","","","","","","","","has coordinates","283864","2023-05-18","12:46:08",""
"9017614","10.4191","","10.4191","","10.4191","","90","","90","","90","","1131.07","","","","","","","","","","","","Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Fluorcalciomicrolite","- Ca1.06 F0.79 H0.27 Na0.82 Nb0.21 O6.21 Ta1.79 -","- Ca1.06 F0.79 Na0.82 Nb0.21 O6.21 Ta1.79 -","- Ca8.48 F6.32 Na6.56 Nb1.68 O49.68 Ta14.32 -","8","0.0416667","","Andrade, M. B.; Atencio, D.; Persiano, A. I. C.; Ellena, J.","Fluorcalciomicrolite, (Ca,Na,_)2Ta2O6F, a new microlite-group mineral from Volta Grande pegmatite, Nazareno, Minas Gerais, Brazil","Mineralogical Magazine","2013","77","","2989","2996","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017615","7.317","","7.317","","16.5955","","90","","90","","120","","769.462","","","","","","","","100","","","","Londonderry Li deposit, Nepean, Western Australia, Australia","5","R -3 m :H","-R 3 2""","166","","","Natrojarosite","- Fe3 H6 Na O14 S2 -","- Fe3 H6 Na O14 S2 -","- Fe9 H18 Na3 O42 S6 -","3","0.0833333","","Nestola, F.; Mills, S. J.; Periotto, B.; Scandolo, L.","The alunite supergroup under high pressure: the case of natrojarosite, NaFe3(SO4)2(OH)6 Note: P = 0.00010 GPa","Mineralogical Magazine","2013","77","","3007","3017","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017616","7.2791","","7.2791","","16.2837","","90","","90","","120","","747.204","","","","","","","","1738000","","","","Londonderry Li deposit, Nepean, Western Australia, Australia","5","R -3 m :H","-R 3 2""","166","","","Natrojarosite","- Fe3 H6 Na O14 S2 -","- Fe3 H6 Na O14 S2 -","- Fe9 H18 Na3 O42 S6 -","3","0.0833333","","Nestola, F.; Mills, S. J.; Periotto, B.; Scandolo, L.","The alunite supergroup under high pressure: the case of natrojarosite, NaFe3(SO4)2(OH)6 Note: P = 1.738 GPa","Mineralogical Magazine","2013","77","","3007","3017","","","","","","","","","","","","","","","","","","","","","","has coordinates","283870","2023-05-18","18:10:22",""
"9017617","7.2473","","7.2473","","16.0061","","90","","90","","120","","728.062","","","","","","","","3368000","","","","Londonderry Li deposit, Nepean, Western Australia, Australia","5","R -3 m :H","-R 3 2""","166","","","Natrojarosite","- Fe3 H6 Na O14 S2 -","- Fe3 H6 Na O14 S2 -","- Fe9 H18 Na3 O42 S6 -","3","0.0833333","","Nestola, F.; Mills, S. J.; Periotto, B.; Scandolo, L.","The alunite supergroup under high pressure: the case of natrojarosite, NaFe3(SO4)2(OH)6 Note: P = 3.368 GPa","Mineralogical Magazine","2013","77","","3007","3017","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017618","7.2205","","7.2205","","15.9139","","90","","90","","120","","718.525","","","","","","","","4729000","","","","Londonderry Li deposit, Nepean, Western Australia, Australia","5","R -3 m :H","-R 3 2""","166","","","Natrojarosite","- Fe3 H6 Na O14 S2 -","- Fe3 H6 Na O14 S2 -","- Fe9 H18 Na3 O42 S6 -","3","0.0833333","","Nestola, F.; Mills, S. J.; Periotto, B.; Scandolo, L.","The alunite supergroup under high pressure: the case of natrojarosite, NaFe3(SO4)2(OH)6 Note: P = 4.729 GPa","Mineralogical Magazine","2013","77","","3007","3017","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017619","7.2049","","7.2049","","15.8254","","90","","90","","120","","711.445","","","","","","","","5701000","","","","Londonderry Li deposit, Nepean, Western Australia, Australia","5","R -3 m :H","-R 3 2""","166","","","Natrojarosite","- Fe3 H6 Na O14 S2 -","- Fe3 H6 Na O14 S2 -","- Fe9 H18 Na3 O42 S6 -","3","0.0833333","","Nestola, F.; Mills, S. J.; Periotto, B.; Scandolo, L.","The alunite supergroup under high pressure: the case of natrojarosite, NaFe3(SO4)2(OH)6 Note: P = 5.701 GPa","Mineralogical Magazine","2013","77","","3007","3017","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017620","7.196","","7.196","","15.764","","90","","90","","120","","706.935","","","","","","","","6454000","","","","Londonderry Li deposit, Nepean, Western Australia, Australia","5","R -3 m :H","-R 3 2""","166","","","Natrojarosite","- Fe3 H6 Na O14 S2 -","- Fe3 H6 Na O14 S2 -","- Fe9 H18 Na3 O42 S6 -","3","0.0833333","","Nestola, F.; Mills, S. J.; Periotto, B.; Scandolo, L.","The alunite supergroup under high pressure: the case of natrojarosite, NaFe3(SO4)2(OH)6 Note: P = 6.454 GPa","Mineralogical Magazine","2013","77","","3007","3017","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017621","7.1594","","7.1594","","15.6003","","90","","90","","120","","692.495","","","","","","","","8779000","","","","Londonderry Li deposit, Nepean, Western Australia, Australia","5","R -3 m :H","-R 3 2""","166","","","Natrojarosite","- Fe3 H6 Na O14 S2 -","- Fe3 H6 Na O14 S2 -","- Fe9 H18 Na3 O42 S6 -","3","0.0833333","","Nestola, F.; Mills, S. J.; Periotto, B.; Scandolo, L.","The alunite supergroup under high pressure: the case of natrojarosite, NaFe3(SO4)2(OH)6 Note: P = 8.779 GPa","Mineralogical Magazine","2013","77","","3007","3017","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017622","10.3042","","10.3042","","10.3042","","90","","90","","90","","1094.06","","","","","","","","","","","","Buca della Vena mine, Apuan Alps, Tuscany, Italy","11","F d -3 m :2","-F 4vw 2vw 3","227","","","Oxycalcioromeite","- Al0.024 Ca1.076 F0.278 Fe0.338 Mn0.004 Na0.12 O6.682 Sb2.068 Sn0.008 Ti0.194 V0.04 -","- Al0.024 Ca1.076 F0.278 Fe0.338 Mn0.004 Na0.12 O6.682 Sb2.068 Sn0.008 Ti0.194 V0.04 -","- Al0.192 Ca8.608 F2.224 Fe2.704 Mn0.032 Na0.96 O53.456 Sb16.544 Sn0.064 Ti1.552 V0.32 -","8","0.0416667","","Biagioni, C.; Orlandi, P.; Nestola, F.; Bianchin, S.","Oxycalcioromeite, Ca2Sb2O6O, from Buca della Vena mine, Apuan Alps, Tuscany, Italy: a new member of the pyrochlore supergroup","Mineralogical Magazine","2013","77","","3027","3037","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017623","6.8436","","6.8436","","14.0637","","90","","90","","120","","570.426","","","","","","","","","","","","Torrecillas mine, Iquique Provence, Chile","8","R -3 m :H","-R 3 2""","166","","","Leverettite","- Cl2 Co0.42 Cu3.33 H6 Mg0.01 Mn0.17 Ni0.07 O6 -","- Cl6 Co1.26 Cu9.99 H18 Mg0.03 Mn0.51 Ni0.21 O18 -","- Cl6 Co1.26 Cu9.99 H18 Mg0.03 Mn0.51 Ni0.21 O18 -","","","","Kampf, A. R.; Sciberras, M. J.; Williams, P. A.; Dini, M.; Molina Donoso, A. A.","Leverettite from the Torrecillas mine, Iquique Provence, Chile: the Co-analogue of herbertsmithite","Mineralogical Magazine","2013","77","","3047","3054","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:18:43",""
"9017624","10.749","","5.044","","19.1778","","89.872","","121.534","","76.508","","852.039","","","","","","","","","","","","Geschieber vein, Jachymov ore district, Western Bohemia, Czech Republic","4","P -1","-P 1","2","","","Vysokyite","- As4 H16 O20 U -","- As4 H16 O20 U -","- As8 H32 O40 U2 -","2","1","","Plasil, J.; Hlousek, J.; Skoda, R.; Novak, M.; Sejkora, J.; Cejka, J.; Veselovsky, F.; Majzlan, J.","Vysokyite, U4+[AsO2(OH)2]4*4H2O, a new mineral from Jachymov, Czech Republic","Mineralogical Magazine","2013","77","","3055","3066","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017625","8.5325","","8.0749","","24.8284","","90","","99.077","","90","","1689.23","","","","","","","","","","","","Barika deposit, Azarbaijan Province, Iran","5","P 1 21/n 1","-P 2yn","14","","","Barikaite","- Ag0.75 As2.899 Pb2.434 S10 Sb1.917 -","- Ag3 As11.596 Pb9.736 S40 Sb7.668 -","- Ag3 As11.596 Pb9.736 S40 Sb7.668 -","","","","Makovicky, E.; Topa, D.","The crystal structure of barikaite","Mineralogical Magazine","2013","77","","3093","3104","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:19:09",""
"9017626","9.6155","","12.9331","","6.8616","","90","","99.352","","90","","841.955","","","","","","","","","","","","Lengenbach quarry, Binn valley, Switzerland","3","P 1 c 1","P -2yc","7","","","Dervillite","- Ag2 As S2 -","- Ag16 As8 S16 -","- Ag16 As8 S16 -","","","","Bindi, L.; Nestola, F.; De Battisti, L.; Guastoni, A.","Dervillite, Ag2AsS2, from Lengenbach quarry, Binn valley, Switzerland: occurrence and crystal structure","Mineralogical Magazine","2013","77","","3105","3112","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:19:20",""
"9017627","13.689","","13.689","","14.025","","90","","90","","120","","2276.02","","","","","","","","","","","","Cuya village, Camarones Valley, Arica Province, Chile","7","R -3 :H","-R 3","148","","","Paratacamite-(Mg)","- Cl2 Cu3.38 H6 Mg0.6 Mn0.1 Ni0.1 O6 -","- Cl24 Cu40.56 H72 Mg7.2 Mn1.2 Ni1.2 O72 -","- Cl24 Cu40.56 H72 Mg7.2 Mn1.2 Ni1.2 O72 -","","","","Kampf, A. R.; Sciberras, M. J.; Leverett, P.; Williams, P. A.; Malcherek, T.; Schluter, J.; Welch, M. D.; Dini, M.; Donoso, A. A. M.","Paratacamite-(Mg), Cu3(Mg,Cu)Cl2(OH)6; a new substituted basic copper chloride mineral from Camerones, Chile","Mineralogical Magazine","2013","77","","3113","3124","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:19:23",""
"9017628","24.576","","7.754","","24.641","","90","","90.19","","90","","4695.62","","","","100","","","","","","","","Marke Valley mine, Liskeard District, Cornwall, UK","5","I 1 2 1","I 2y","5","","","Liskeardite","- Al14.582 As9 Fe1.418 H97.24 O94.12 -","- Al14.582 As9 Fe1.418 H97.24 O94.12 -","- Al29.164 As18 Fe2.836 H194.48 O188.24 -","2","0.5","","Grey, I. E.; Mumme, W. G.; Macrae, C. M.; Caradoc-Davies T; Price, J. R.; Rumsey, M. S.; Mills, S. J.","Chiral edge-shared octahedral chains in liskeardite, [(Al,Fe)32(AsO4)18(OH)42(H2O)22] *52H2O, an open framework mineral with a pharmacoalumite-related structure Note: T = 100 K","Mineralogical Magazine","2013","77","","3125","3135","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017629","7.8244","","4.2107","","10.4724","","90","","90","","90","","345.026","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","","- H I O Pb -","- H4 I4 O4 Pb4 -","- H4 I4 O4 Pb4 -","","","","Siidra, O. I.; Zenko, D. Y.; Suknotova, A. N.; Krivovichev, S. V.","Crystal structure of a novel synthetic compound, Pb2O(OH)I, and structure refinement of iodolaurionite, Pb(OH)I: hydroxo- and oxocentred units in Pb minerals and synthetic compounds","Mineralogical Magazine","2013","77","","3239","3248","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:19:46",""
"9017630","13.711","","4.0975","","9.584","","90","","110.64","","90","","503.877","","","","","","","","","","","","Synthetic","4","C 1 2/m 1","-C 2y","12","","","","- H I O2 Pb2 -","- H4 I4 O8 Pb8 -","- H4 I4 O8 Pb8 -","","","","Siidra, O. I.; Zenko, D. Y.; Suknotova, A. N.; Krivovichev, S. V.","Crystal structure of a novel synthetic compound, Pb2O(OH)I, and structure refinement of iodolaurionite, Pb(OH)I: hydroxo- and oxocentred units in Pb minerals and synthetic compounds","Mineralogical Magazine","2013","77","","3239","3248","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:19:59",""
"9017744","6.3916","","6.4005","","12.3898","","100.884","","96.525","","100.492","","483.635","","","","","","","","","","","","","5","P -1","-P 1","2","","","Galgenbergite-(Ce)","- C4 H2 Ca1.089 Ce1.911 O13 -","- C8 H4 Ca2.178 Ce3.822 O26 -","- C8 H4 Ca2.178 Ce3.822 O26 -","","","","Walter, F.; Bojar, H. P.; Hollerer, C. E.; Mereiter, K.","The crystal structure of galgenbergite-(Ce), CaCe2(CO3)4H2O","Mineralogy and Petrology","2013","107","","189","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:19",""
"9017745","6.0731","","11.0597","","5.5094","","102.883","","92.348","","92.597","","359.867","","","","","","","","","","","","Kapitalnaya mine, South Urals, Russia","4","P -1","-P 1","2","","","Kobyashevite","- Cu5 H14 O18 S2 -","- Cu5 H14 O18 S2 -","- Cu5 H14 O18 S2 -","","","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Belakovskiy, D. I.; Chukanov, N. V.; Kasatkin, A. V.; Kuznetsov, A. M.; Pushcharovsky, D. Y.","Kobyashevite, Cu5(SO4)2(OH)6*4H2O, a new devilline-group mineral from the Vishnevye Mountains, South Urals, Russia","Mineralogy and Petrology","2013","107","","201","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:19",""
"9017782","12.6564","","12.7282","","6.9148","","90","","113.939","","90","","1018.1","","","","","","","","","","","","Tsumeb, Namibia","7","C 1 2/c 1","-C 2yc","15","","","Erikapohlite","- As3 Ca Cu1.79 H1.4 Mg0.36 O12.7 Zn1.2 -","- As3 Ca Cu1.79 H1.4 Mg0.36 O12.7 Zn1.2 -","- As12 Ca4 Cu7.16 H5.6 Mg1.44 O50.8 Zn4.8 -","4","0.5","","Schluter, J.; Malcherek, T.; Mihailova, B.; Gebhard, G.","The new mineral erikapohlite, Cu3(Zn,Cu,Mg)4Ca2(AsO4)6*2H2O, the Ca-dominant analogue of keyite, from Tsumeb, Namibia","Neues Jahrbuch fur Mineralogie, Abhandlungen","2013","190","","319","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017812","2.466","","8.13","","6.108","","90","","90","","90","","122.457","","","","","","","","120000000","","","","Synthetic","4","C m c m","-C 2c 2","63","","","","- Fe0.07 Mg0.93 O3 Si -","- Fe0.28 Mg3.72 O12 Si4 -","- Fe0.28 Mg3.72 O12 Si4 -","","","","Zhang, L.; Meng, Y.; Dera, P.; Yang, W.; Mao, W. L.; Mao, H.-K.","Single-crystal structure determination of (Mg,Fe)SiO3 postperovskite Note: P = 120 GPa","Proceedings of the National Academy of Sciences","2013","110","","6292","6295","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:24",""
"9017837","5.137","","6.644","","8.908","","90","","90.554","","90","","304.018","","","","","","","","","","","","Khibiny Massif, Kola Peninsula, Russia","5","P 1 21/m 1","-P 2yb","11","","","Bonshtedtite","- C Fe Na3 O7 P -","- C2 Fe2 Na6 O14 P2 -","- C2 Fe2 Na6 O14 P2 -","","","","Krivovichev, S. V.; Chernyatieva, A. Y.; Britvin, S. N.; Yakovenchuk, V. N.; Krivovichev, V. G.","Refinement of the crystal structure of bonshtedtite Na3Fe(PO4)(CO3)","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2013","142","","46","54","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:25",""